diff --git a/.gitattributes b/.gitattributes index 80546611446f401558d705095fcc3b8b2a9ec3d7..96c7d0afa9863192859c4624a5ba0697fa9de0b3 100644 --- a/.gitattributes +++ b/.gitattributes @@ -59,3 +59,42 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text *.webm filter=lfs diff=lfs merge=lfs -text lorenz63_dataset.nc filter=lfs diff=lfs merge=lfs -text lorenz63/lorenz63_dataset.nc filter=lfs diff=lfs merge=lfs -text +G1/data/md.tpr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_0.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_1.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_10.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_11.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_12.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_13.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_14.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_15.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_2.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_3.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_4.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_5.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_6.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_7.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_8.trr filter=lfs diff=lfs merge=lfs -text +G1/traj/traj_com_9.trr filter=lfs diff=lfs merge=lfs -text +G2/data/md.tpr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_0.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_1.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_2.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_3.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_4.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_5.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_6.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_7.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_8.trr filter=lfs diff=lfs merge=lfs -text +G2/traj/traj_com_9.trr filter=lfs diff=lfs merge=lfs -text +G3/data/md.tpr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_0.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_1.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_2.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_3.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_4.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_5.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_6.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_7.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_8.trr filter=lfs diff=lfs merge=lfs -text +G3/traj/traj_com_9.trr filter=lfs diff=lfs merge=lfs -text diff --git a/G1/data/NVT.mdp b/G1/data/NVT.mdp new file mode 100644 index 0000000000000000000000000000000000000000..ddbe4a6dc202ff33cbe6db8b083dea0465da5f76 --- /dev/null +++ b/G1/data/NVT.mdp @@ -0,0 +1,70 @@ +define = + +; Integrator stuff +integrator = md ; steep or md +dt = 0.002 +nsteps = 250000000 ; -1 no maximum +init-step = 0 ; +continuation = no + +; neighbour search +cutoff-scheme = verlet ; the other is bad +nst-list = 10 ;frequency of update of neighbours, with verlet-buf-tol its a minimum +verlet-buffer-tolerance = 0.005 ; kj/mol/ps might need to put -1. +ns-type = grid + + +; Pbc +pbc = xyz ; xyz or xy + +; Vdw +rvdw = 1.0 +vdwtype = cut-off ; PME or User to look for table /user +DispCorr = EnerPres ; corrections to energy and pressure or No + +;Electrostatic +coulombtype = PME ; User if look for table +rcoulomb = 1.0 +pme-order = 4 +fourierspacing = 0.1 +ewald-rtol = 1.e-5 ; splitting between real and reciprocal +ewald-geometry = 3d ; 3d or 3dc + +IMD-group = non-Water + +; T and P +tcoupl = v-rescale ; none, nose-hoover, v-rescale +nsttcouple = 10 ; 10 if not used +tc-grps = OCB MOL Water_and_ions +tau-t = 0.1 0.1 0.1 ; ps +ref-t = 300 300 300 ; K +pcoupl = no ; +pcoupltype = isotropic ; +compressibility = 4.5e-5 ; isothermal compressibility of water, bar^-1 +refcoord-scaling = com +tau-p = 5.0 ; ps +ref-p = 1.0 ; bar + +; Constraints +constraints = all-bonds ; constraints distances +constraint-algorithm = LINCS ; or SHAKE +lincs_iter = 1 +lincs_order = 4 + +;Generate velocities +gen_vel = yes ; assign velocities from Maxwell distribution +gen_temp = 300 ; temperature for Maxwell distribution +gen_seed = -1 ; generate a random seed + + +; OUTPUT +; Output control +nstenergy = 1000 ; save energies +nstlog = 1000 ; update log file every +nstxout = 500 ; save coordinates every 1.0 ps + ; nstxout-compressed replaces nstxtcout + +; COM removal . There are more options like removing from groups or the frequency +comm-mode = linear ; linear, angular (removes linear and angular motion) or none +nstcomm = 100 ; frequency of removal of com motion +nstcalcenergy = 500 diff --git a/G1/data/com.ndx b/G1/data/com.ndx new file mode 100644 index 0000000000000000000000000000000000000000..b11645d17080d038351f0ab46df00c988884036f --- /dev/null +++ b/G1/data/com.ndx @@ -0,0 +1,1767 @@ +[ System ] + 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 + 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 + 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 + 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 + 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 + 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 + 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 + 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 + 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 + 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 + 151 152 153 154 155 156 157 158 159 160 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+ATOM 20 C5 OCB X 2 20.136 24.324 20.962 1.00 1.00 C +ATOM 21 C6 OCB X 2 21.377 23.137 19.226 1.00 1.00 C +ATOM 22 O1 OCB X 2 22.507 24.274 21.064 1.00 1.00 O +ATOM 23 C7 OCB X 2 22.744 22.744 18.579 1.00 1.00 C +ATOM 24 C8 OCB X 2 23.163 23.163 21.851 1.00 1.00 C +ATOM 25 O2 OCB X 2 24.274 22.507 21.064 1.00 1.00 O +ATOM 26 C9 OCB X 2 23.951 21.342 20.381 1.00 1.00 C +ATOM 27 C10 OCB X 2 23.137 21.377 19.226 1.00 1.00 C +ATOM 28 C11 OCB X 2 22.782 20.136 18.629 1.00 1.00 C +ATOM 29 C12 OCB X 2 24.324 20.136 20.962 1.00 1.00 C +ATOM 30 C13 OCB X 2 23.137 18.896 19.226 1.00 1.00 C +ATOM 31 C14 OCB X 2 23.951 18.931 20.381 1.00 1.00 C +ATOM 32 O3 OCB X 2 24.274 17.765 21.064 1.00 1.00 O +ATOM 33 C15 OCB X 2 22.744 17.528 18.579 1.00 1.00 C +ATOM 34 C16 OCB X 2 21.377 17.135 19.226 1.00 1.00 C +ATOM 35 C17 OCB X 2 21.342 16.321 20.381 1.00 1.00 C +ATOM 36 C18 OCB X 2 23.163 17.109 21.851 1.00 1.00 C +ATOM 37 O4 OCB X 2 22.507 15.998 21.064 1.00 1.00 O +ATOM 38 O5 OCB X 2 17.765 24.274 21.064 1.00 1.00 O +ATOM 39 C19 OCB X 2 17.528 22.744 18.579 1.00 1.00 C +ATOM 40 C20 OCB X 2 17.135 21.377 19.226 1.00 1.00 C +ATOM 41 O6 OCB X 2 15.998 22.507 21.064 1.00 1.00 O +ATOM 42 C21 OCB X 2 16.321 21.342 20.381 1.00 1.00 C +ATOM 43 C22 OCB X 2 20.136 15.948 20.962 1.00 1.00 C +ATOM 44 C23 OCB X 2 18.931 16.321 20.381 1.00 1.00 C +ATOM 45 C24 OCB X 2 15.948 20.136 20.962 1.00 1.00 C +ATOM 46 C25 OCB X 2 16.321 18.931 20.381 1.00 1.00 C +ATOM 47 O7 OCB X 2 17.765 15.998 21.064 1.00 1.00 O +ATOM 48 O8 OCB X 2 15.998 17.765 21.064 1.00 1.00 O +ATOM 49 C26 OCB X 2 17.109 17.109 21.851 1.00 1.00 C +ATOM 50 C27 OCB X 2 17.490 20.136 18.629 1.00 1.00 C +ATOM 51 C28 OCB X 2 17.135 18.896 19.226 1.00 1.00 C +ATOM 52 C29 OCB X 2 20.136 17.490 18.629 1.00 1.00 C +ATOM 53 C30 OCB X 2 17.528 17.528 18.579 1.00 1.00 C +ATOM 54 C31 OCB X 2 18.896 17.135 19.226 1.00 1.00 C +ATOM 55 C32 OCB X 2 17.109 23.163 21.851 1.00 1.00 C +END diff --git a/G1/data/md.tpr b/G1/data/md.tpr new file mode 100644 index 0000000000000000000000000000000000000000..603280b1be646a69e525a1813862cde72ce3b6bb --- /dev/null +++ b/G1/data/md.tpr @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:5c89ae650b3f866ed703927ac8c05038cd8c752a04fa7a13ff22a5af2e67c241 +size 222776 diff --git a/G1/data/no_water.gro b/G1/data/no_water.gro new file mode 100644 index 0000000000000000000000000000000000000000..e0b965df61e4336a5c3b0302d308751f4d81632c --- /dev/null +++ b/G1/data/no_water.gro @@ -0,0 +1,214 @@ +Generic title t= 22949.00000 step= 11474500 + 211 + 1MOL C1 1 1.347 0.428 2.338 + 1MOL C2 2 1.421 0.363 2.404 + 1MOL C3 3 1.515 0.298 2.496 + 1MOL C4 4 1.655 0.269 2.439 + 1MOL C5 5 1.770 0.225 2.531 + 1MOL C6 6 1.829 0.346 2.598 + 1MOL O1 7 1.812 0.372 2.716 + 1MOL O2 8 1.870 0.434 2.526 + 1MOL H1 9 1.275 0.490 2.290 + 1MOL H2 10 1.521 0.364 2.582 + 1MOL H3 11 1.467 0.204 2.524 + 1MOL H4 12 1.647 0.194 2.360 + 1MOL H5 13 1.681 0.358 2.381 + 1MOL H6 14 1.733 0.155 2.607 + 1MOL H7 15 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109 2.744 0.558 3.030 + 2OCB C75 110 2.100 0.839 3.401 + 2OCB C76 111 2.230 0.699 3.196 + 2OCB C77 112 2.048 0.725 3.342 + 2OCB C78 113 2.224 0.882 3.356 + 2OCB C79 114 2.287 0.810 3.255 + 2OCB C80 115 2.106 0.653 3.238 + 2OCB C81 116 2.255 3.809 3.345 + 2OCB C82 117 2.077 3.752 3.546 + 2OCB C83 118 2.276 3.700 3.428 + 2OCB C84 119 2.142 3.888 3.359 + 2OCB C85 120 2.060 3.866 3.469 + 2OCB C86 121 2.181 3.663 3.522 + 2OCB C87 122 2.198 3.549 3.616 + 2OCB O21 123 2.295 3.477 3.607 + 2OCB C88 124 1.613 0.441 0.183 + 2OCB O22 125 1.614 0.550 0.236 + 2OCB C89 126 2.049 0.523 3.194 + 2OCB O23 127 2.049 0.488 3.077 + 2OCB O24 128 2.634 3.941 0.477 + 2OCB O25 129 3.114 3.982 0.088 + 2OCB O26 130 3.166 0.321 0.009 + 2OCB C90 131 3.121 0.260 3.024 + 2OCB O27 132 3.169 0.158 3.069 + 2OCB O28 133 1.566 0.351 0.250 + 2OCB O29 134 2.133 3.536 3.718 + 2OCB O30 135 3.191 0.352 2.988 + 2OCB O31 136 1.975 0.469 3.273 + 2OCB O32 137 2.747 0.665 0.404 + 2OCB C91 138 1.706 0.526 3.859 + 2OCB C92 139 1.651 0.300 4.008 + 2OCB C93 140 1.722 0.400 3.803 + 2OCB C94 141 1.667 0.535 3.992 + 2OCB C95 142 1.639 0.424 0.038 + 2OCB C96 143 1.694 0.287 3.877 + 2OCB C97 144 1.764 0.380 3.659 + 2OCB C98 145 2.283 1.006 3.420 + 2OCB C99 146 2.543 0.334 3.051 + 2OCB C 147 2.110 4.008 3.274 + 2OCB H1 148 2.706 0.516 4.031 + 2OCB H2 149 2.452 0.761 3.689 + 2OCB H3 150 2.389 0.667 0.108 + 2OCB H4 151 2.244 0.532 3.831 + 2OCB H5 152 2.549 0.331 0.105 + 2OCB H6 153 2.062 0.357 0.013 + 2OCB H7 154 2.356 0.023 0.112 + 2OCB H8 155 2.246 0.163 3.841 + 2OCB H9 156 2.898 0.642 3.748 + 2OCB H10 157 2.411 3.932 3.693 + 2OCB H11 158 2.851 0.315 3.410 + 2OCB H12 159 2.595 0.141 3.548 + 2OCB H13 160 2.853 0.310 3.906 + 2OCB H14 161 2.711 0.097 4.024 + 2OCB H15 162 2.868 4.022 3.726 + 2OCB H16 163 2.625 0.531 3.537 + 2OCB H17 164 2.631 0.133 0.194 + 2OCB H18 165 2.480 0.134 0.279 + 2OCB H19 166 2.484 3.903 0.210 + 2OCB H20 167 2.661 3.941 0.216 + 2OCB H21 168 2.629 0.517 0.214 + 2OCB H22 169 2.493 0.589 0.301 + 2OCB H23 170 2.699 0.740 0.132 + 2OCB H24 171 2.547 0.805 0.194 + 2OCB H25 172 2.955 0.658 3.975 + 2OCB H26 173 2.905 0.497 4.009 + 2OCB H27 174 3.072 0.412 3.839 + 2OCB H28 175 3.147 0.569 3.844 + 2OCB H29 176 3.038 0.052 3.867 + 2OCB H30 177 2.931 0.133 3.981 + 2OCB H31 178 2.820 3.938 4.017 + 2OCB H32 179 2.943 3.870 3.911 + 2OCB H33 180 1.798 0.796 3.588 + 2OCB H34 181 1.945 0.575 3.923 + 2OCB H35 182 2.216 0.797 3.681 + 2OCB H36 183 2.544 0.739 3.019 + 2OCB H37 184 2.804 0.508 3.278 + 2OCB H38 185 2.519 0.791 3.437 + 2OCB H39 186 2.458 3.957 3.041 + 2OCB H40 187 2.456 3.927 3.473 + 2OCB H41 188 2.764 0.108 3.271 + 2OCB H42 189 1.751 0.045 3.607 + 2OCB H43 190 2.159 3.965 3.685 + 2OCB H44 191 1.934 0.170 3.968 + 2OCB H45 192 2.980 0.497 3.033 + 2OCB H46 193 2.926 0.073 3.023 + 2OCB H47 194 2.285 0.659 3.111 + 2OCB H48 195 1.960 0.682 3.388 + 2OCB H49 196 2.013 3.735 3.632 + 2OCB H50 197 2.359 3.630 3.419 + 2OCB H51 198 1.626 0.209 0.030 + 2OCB H52 199 1.656 0.630 0.012 + 2OCB H53 200 1.871 0.362 3.653 + 2OCB H54 201 1.721 0.293 3.609 + 2OCB H55 202 1.745 0.462 3.589 + 2OCB H56 203 2.261 1.005 3.527 + 2OCB H57 204 2.391 1.011 3.409 + 2OCB H58 205 2.245 1.102 3.385 + 2OCB H59 206 2.484 0.268 2.987 + 2OCB H60 207 2.515 0.309 3.153 + 2OCB H61 208 2.515 0.438 3.031 + 2OCB H62 209 2.002 4.017 3.261 + 2OCB H63 210 2.148 0.068 3.319 + 2OCB H64 211 2.154 3.999 3.174 + 4.03244 4.03244 4.03244 diff --git a/G1/data/plumed.dat b/G1/data/plumed.dat new file mode 100644 index 0000000000000000000000000000000000000000..73bdbb81cb6d4a8362c4621f0f3bd96d2fa0150a --- /dev/null +++ b/G1/data/plumed.dat @@ -0,0 +1,19 @@ +HOST: GROUP ATOMS=16-211 #host atoms +LIGC: GROUP ATOMS=1-6 #carbon atoms in the ligand + +WHOLEMOLECULES ENTITY0=HOST +FIT_TO_TEMPLATE STRIDE=1 REFERENCE=conf_template.pdb TYPE=OPTIMAL #coordinates alignment +lig: CENTER ATOMS=LIGC + +v1: FIXEDATOM AT=2.0136,2.0136,2.0 #virtual atoms + +cyl: DISTANCE ATOMS=v1,lig COMPONENTS +radius: MATHEVAL ARG=cyl.x,cyl.y FUNC=sqrt(x*x+y*y) PERIODIC=NO + +funnel: MATHEVAL ARG=radius,cyl.z VAR=r,z FUNC=(r+1.0*(-1.2+z))*step(-z+1.)+(r-0.2)*step(z-1.) PERIODIC=NO +UPPER_WALLS AT=0 ARG=funnel KAPPA=2000.0 LABEL=funnelwall #funnel restraint +UPPER_WALLS AT=1.8 ARG=cyl.z KAPPA=4000.0 EXP=2 LABEL=upper_wall #upper limit of cyl.z + +PRINT ARG=* STRIDE=250 FILE=COLVAR FMT=%8.4f + +ENDPLUMED diff --git a/G1/data/u.gro b/G1/data/u.gro new file mode 100644 index 0000000000000000000000000000000000000000..657fae4bb85e885ff8014294ec6b1f2f0cca584c --- /dev/null +++ b/G1/data/u.gro @@ -0,0 +1,6523 @@ +Generic title t= 22949.00000 step= 11474500 + 6520 + 1MOL C1 1 1.347 0.428 2.338 + 1MOL C2 2 1.421 0.363 2.404 + 1MOL C3 3 1.515 0.298 2.496 + 1MOL C4 4 1.655 0.269 2.439 + 1MOL C5 5 1.770 0.225 2.531 + 1MOL C6 6 1.829 0.346 2.598 + 1MOL O1 7 1.812 0.372 2.716 + 1MOL O2 8 1.870 0.434 2.526 + 1MOL H1 9 1.275 0.490 2.290 + 1MOL H2 10 1.521 0.364 2.582 + 1MOL H3 11 1.467 0.204 2.524 + 1MOL H4 12 1.647 0.194 2.360 + 1MOL H5 13 1.681 0.358 2.381 + 1MOL H6 14 1.733 0.155 2.607 + 1MOL H7 15 1.840 0.167 2.471 + 2OCB C1 16 2.715 0.606 3.834 + 2OCB C2 17 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1.147 0.507 + 496WAT H1 1674 3.505 1.172 0.452 + 496WAT H2 1675 3.451 1.059 0.538 + 497WAT O 1676 3.265 1.300 3.013 + 497WAT H1 1677 3.220 1.233 2.962 + 497WAT H2 1678 3.351 1.263 3.031 + 498WAT O 1679 2.903 1.270 0.527 + 498WAT H1 1680 2.987 1.232 0.500 + 498WAT H2 1681 2.909 1.362 0.500 + 499WAT O 1682 1.776 3.899 0.030 + 499WAT H1 1683 1.693 3.921 4.019 + 499WAT H2 1684 1.797 3.977 0.082 + 500WAT O 1685 1.022 0.436 2.426 + 500WAT H1 1686 1.003 0.509 2.367 + 500WAT H2 1687 0.937 0.395 2.442 + 501WAT O 1688 2.696 3.743 1.745 + 501WAT H1 1689 2.713 3.837 1.746 + 501WAT H2 1690 2.628 3.732 1.678 + 502WAT O 1691 2.998 2.672 0.774 + 502WAT H1 1692 2.979 2.760 0.808 + 502WAT H2 1693 2.920 2.650 0.722 + 503WAT O 1694 1.535 0.633 3.388 + 503WAT H1 1695 1.486 0.554 3.410 + 503WAT H2 1696 1.487 0.671 3.314 + 504WAT O 1697 3.168 1.938 1.959 + 504WAT H1 1698 3.150 1.998 2.031 + 504WAT H2 1699 3.249 1.971 1.921 + 505WAT O 1700 0.425 1.104 3.221 + 505WAT H1 1701 0.448 1.051 3.144 + 505WAT H2 1702 0.439 1.046 3.295 + 506WAT O 1703 3.412 1.765 2.492 + 506WAT H1 1704 3.363 1.826 2.548 + 506WAT H2 1705 3.463 1.822 2.435 + 507WAT O 1706 1.276 0.255 1.395 + 507WAT H1 1707 1.310 0.173 1.433 + 507WAT H2 1708 1.244 0.230 1.309 + 508WAT O 1709 2.030 3.270 2.896 + 508WAT H1 1710 2.031 3.277 2.800 + 508WAT H2 1711 2.062 3.355 2.926 + 509WAT O 1712 0.579 2.423 2.722 + 509WAT H1 1713 0.665 2.462 2.706 + 509WAT H2 1714 0.594 2.328 2.716 + 510WAT O 1715 0.820 1.508 3.471 + 510WAT H1 1716 0.732 1.473 3.456 + 510WAT H2 1717 0.806 1.601 3.491 + 511WAT O 1718 0.078 0.893 1.507 + 511WAT H1 1719 0.018 0.852 1.445 + 511WAT H2 1720 0.029 0.898 1.589 + 512WAT O 1721 1.496 3.716 2.209 + 512WAT H1 1722 1.536 3.793 2.251 + 512WAT H2 1723 1.516 3.643 2.268 + 513WAT O 1724 0.910 0.933 0.449 + 513WAT H1 1725 0.947 0.954 0.535 + 513WAT H2 1726 0.938 0.843 0.432 + 514WAT O 1727 3.987 3.011 0.989 + 514WAT H1 1728 3.908 2.981 1.034 + 514WAT H2 1729 3.964 3.098 0.955 + 515WAT O 1730 1.736 2.498 2.647 + 515WAT H1 1731 1.810 2.554 2.623 + 515WAT H2 1732 1.674 2.556 2.689 + 516WAT O 1733 0.559 1.684 0.349 + 516WAT H1 1734 0.502 1.743 0.299 + 516WAT H2 1735 0.646 1.697 0.310 + 517WAT O 1736 0.631 0.939 2.750 + 517WAT H1 1737 0.626 0.989 2.669 + 517WAT H2 1738 0.700 0.875 2.735 + 518WAT O 1739 3.675 0.787 1.374 + 518WAT H1 1740 3.719 0.843 1.310 + 518WAT H2 1741 3.662 0.843 1.450 + 519WAT O 1742 2.800 1.637 1.618 + 519WAT H1 1743 2.802 1.607 1.709 + 519WAT H2 1744 2.768 1.727 1.622 + 520WAT O 1745 3.868 0.014 0.154 + 520WAT H1 1746 3.951 0.059 0.142 + 520WAT H2 1747 3.881 3.961 0.112 + 521WAT O 1748 1.568 0.466 2.821 + 521WAT H1 1749 1.655 0.452 2.784 + 521WAT H2 1750 1.526 0.527 2.760 + 522WAT O 1751 0.837 3.545 3.366 + 522WAT H1 1752 0.798 3.599 3.298 + 522WAT H2 1753 0.831 3.598 3.445 + 523WAT O 1754 1.531 0.869 0.596 + 523WAT H1 1755 1.465 0.899 0.533 + 523WAT H2 1756 1.502 0.905 0.680 + 524WAT O 1757 3.084 3.806 3.612 + 524WAT H1 1758 3.049 3.846 3.533 + 524WAT H2 1759 3.015 3.746 3.641 + 525WAT O 1760 0.177 3.760 1.213 + 525WAT H1 1761 0.169 3.667 1.234 + 525WAT H2 1762 0.150 3.805 1.293 + 526WAT O 1763 0.944 2.567 3.047 + 526WAT H1 1764 1.036 2.574 3.022 + 526WAT H2 1765 0.946 2.542 3.139 + 527WAT O 1766 2.856 0.803 1.134 + 527WAT H1 1767 2.895 0.839 1.055 + 527WAT H2 1768 2.858 0.708 1.120 + 528WAT O 1769 2.032 1.138 3.086 + 528WAT H1 1770 1.942 1.152 3.116 + 528WAT H2 1771 2.028 1.058 3.034 + 529WAT O 1772 2.519 1.496 2.385 + 529WAT H1 1773 2.533 1.578 2.432 + 529WAT H2 1774 2.425 1.483 2.385 + 530WAT O 1775 1.004 1.862 3.902 + 530WAT H1 1776 1.084 1.861 3.955 + 530WAT H2 1777 0.982 1.770 3.890 + 531WAT O 1778 2.201 2.689 2.521 + 531WAT H1 1779 2.258 2.619 2.553 + 531WAT H2 1780 2.112 2.655 2.535 + 532WAT O 1781 3.028 2.967 0.823 + 532WAT H1 1782 2.971 3.007 0.758 + 532WAT H2 1783 3.115 3.001 0.803 + 533WAT O 1784 3.185 1.877 1.382 + 533WAT H1 1785 3.208 1.842 1.296 + 533WAT H2 1786 3.098 1.915 1.370 + 534WAT O 1787 3.211 3.670 3.997 + 534WAT H1 1788 3.298 3.639 3.972 + 534WAT H2 1789 3.217 3.765 3.991 + 535WAT O 1790 2.345 2.553 0.815 + 535WAT H1 1791 2.285 2.611 0.862 + 535WAT H2 1792 2.354 2.476 0.871 + 536WAT O 1793 2.107 3.555 0.681 + 536WAT H1 1794 2.111 3.491 0.611 + 536WAT H2 1795 2.195 3.590 0.687 + 537WAT O 1796 2.902 1.746 2.133 + 537WAT H1 1797 2.807 1.733 2.130 + 537WAT H2 1798 2.929 1.751 2.042 + 538WAT O 1799 1.834 1.202 1.988 + 538WAT H1 1800 1.917 1.173 2.025 + 538WAT H2 1801 1.792 1.122 1.958 + 539WAT O 1802 1.914 0.593 0.918 + 539WAT H1 1803 1.891 0.617 1.008 + 539WAT H2 1804 1.994 0.541 0.927 + 540WAT O 1805 0.215 2.183 0.411 + 540WAT H1 1806 0.124 2.162 0.432 + 540WAT H2 1807 0.209 2.252 0.345 + 541WAT O 1808 3.839 0.868 2.576 + 541WAT H1 1809 3.909 0.932 2.563 + 541WAT H2 1810 3.817 0.838 2.488 + 542WAT O 1811 3.273 3.970 3.690 + 542WAT H1 1812 3.274 3.955 3.785 + 542WAT H2 1813 3.198 3.919 3.659 + 543WAT O 1814 3.137 1.694 3.719 + 543WAT H1 1815 3.211 1.661 3.667 + 543WAT H2 1816 3.076 1.621 3.723 + 544WAT O 1817 3.734 2.102 1.662 + 544WAT H1 1818 3.816 2.149 1.647 + 544WAT H2 1819 3.702 2.136 1.745 + 545WAT O 1820 0.610 3.973 1.550 + 545WAT H1 1821 0.536 0.001 1.545 + 545WAT H2 1822 0.622 3.958 1.644 + 546WAT O 1823 2.703 1.894 1.530 + 546WAT H1 1824 2.791 1.928 1.515 + 546WAT H2 1825 2.665 1.885 1.443 + 547WAT O 1826 0.900 0.057 2.283 + 547WAT H1 1827 0.982 0.097 2.256 + 547WAT H2 1828 0.868 0.012 2.205 + 548WAT O 1829 0.772 0.342 2.455 + 548WAT H1 1830 0.770 0.331 2.550 + 548WAT H2 1831 0.690 0.387 2.434 + 549WAT O 1832 3.937 2.520 3.679 + 549WAT H1 1833 3.984 2.602 3.663 + 549WAT H2 1834 3.975 2.459 3.616 + 550WAT O 1835 3.597 1.989 2.334 + 550WAT H1 1836 3.663 2.034 2.387 + 550WAT H2 1837 3.633 1.902 2.319 + 551WAT O 1838 2.271 3.165 0.167 + 551WAT H1 1839 2.213 3.206 0.103 + 551WAT H2 1840 2.246 3.072 0.166 + 552WAT O 1841 0.928 3.347 2.262 + 552WAT H1 1842 0.962 3.291 2.193 + 552WAT H2 1843 0.994 3.416 2.272 + 553WAT O 1844 2.159 1.609 2.687 + 553WAT H1 1845 2.212 1.537 2.719 + 553WAT H2 1846 2.213 1.687 2.700 + 554WAT O 1847 1.257 2.619 1.763 + 554WAT H1 1848 1.191 2.677 1.723 + 554WAT H2 1849 1.328 2.617 1.698 + 555WAT O 1850 1.046 2.856 2.239 + 555WAT H1 1851 1.079 2.886 2.324 + 555WAT H2 1852 1.123 2.858 2.182 + 556WAT O 1853 0.864 0.843 3.155 + 556WAT H1 1854 0.865 0.764 3.100 + 556WAT H2 1855 0.953 0.848 3.189 + 557WAT O 1856 1.687 0.460 2.170 + 557WAT H1 1857 1.624 0.413 2.223 + 557WAT H2 1858 1.645 0.469 2.084 + 558WAT O 1859 0.574 3.160 1.789 + 558WAT H1 1860 0.646 3.214 1.757 + 558WAT H2 1861 0.565 3.090 1.724 + 559WAT O 1862 3.912 3.153 0.571 + 559WAT H1 1863 3.823 3.132 0.601 + 559WAT H2 1864 3.969 3.106 0.631 + 560WAT O 1865 0.539 1.911 1.489 + 560WAT H1 1866 0.607 1.955 1.438 + 560WAT H2 1867 0.570 1.820 1.496 + 561WAT O 1868 1.045 3.128 0.419 + 561WAT H1 1869 1.020 3.177 0.341 + 561WAT H2 1870 1.137 3.106 0.405 + 562WAT O 1871 0.056 2.125 3.730 + 562WAT H1 1872 0.006 2.155 3.654 + 562WAT H2 1873 0.007 2.049 3.762 + 563WAT O 1874 3.650 3.141 0.740 + 563WAT H1 1875 3.579 3.195 0.706 + 563WAT H2 1876 3.610 3.055 0.755 + 564WAT O 1877 2.922 1.539 0.457 + 564WAT H1 1878 2.844 1.556 0.404 + 564WAT H2 1879 2.949 1.625 0.490 + 565WAT O 1880 1.065 1.320 3.677 + 565WAT H1 1881 0.990 1.260 3.681 + 565WAT H2 1882 1.096 1.313 3.587 + 566WAT O 1883 1.700 0.120 0.872 + 566WAT H1 1884 1.776 0.177 0.863 + 566WAT H2 1885 1.682 0.090 0.783 + 567WAT O 1886 2.254 3.130 1.464 + 567WAT H1 1887 2.237 3.141 1.558 + 567WAT H2 1888 2.245 3.218 1.427 + 568WAT O 1889 3.503 3.890 3.291 + 568WAT H1 1890 3.429 3.924 3.241 + 568WAT H2 1891 3.526 3.962 3.351 + 569WAT O 1892 0.445 1.662 3.728 + 569WAT H1 1893 0.474 1.753 3.725 + 569WAT H2 1894 0.438 1.642 3.821 + 570WAT O 1895 0.454 3.018 1.304 + 570WAT H1 1896 0.379 3.061 1.345 + 570WAT H2 1897 0.454 3.050 1.214 + 571WAT O 1898 2.552 1.437 0.935 + 571WAT H1 1899 2.469 1.395 0.912 + 571WAT H2 1900 2.570 1.406 1.024 + 572WAT O 1901 1.956 3.708 2.441 + 572WAT H1 1902 1.899 3.761 2.496 + 572WAT H2 1903 2.038 3.757 2.437 + 573WAT O 1904 1.256 0.856 0.881 + 573WAT H1 1905 1.307 0.922 0.834 + 573WAT H2 1906 1.282 0.773 0.840 + 574WAT O 1907 2.689 3.173 3.928 + 574WAT H1 1908 2.749 3.188 4.002 + 574WAT H2 1909 2.669 3.079 3.932 + 575WAT O 1910 0.554 3.057 3.077 + 575WAT H1 1911 0.471 3.042 3.033 + 575WAT H2 1912 0.560 2.987 3.142 + 576WAT O 1913 0.630 1.995 2.420 + 576WAT H1 1914 0.675 1.941 2.355 + 576WAT H2 1915 0.578 1.933 2.470 + 577WAT O 1916 0.724 3.253 3.679 + 577WAT H1 1917 0.725 3.237 3.584 + 577WAT H2 1918 0.789 3.192 3.714 + 578WAT O 1919 0.321 3.587 3.964 + 578WAT H1 1920 0.348 3.584 3.872 + 578WAT H2 1921 0.371 3.659 4.001 + 579WAT O 1922 2.459 1.702 0.129 + 579WAT H1 1923 2.510 1.645 0.071 + 579WAT H2 1924 2.404 1.642 0.179 + 580WAT O 1925 2.686 3.851 2.797 + 580WAT H1 1926 2.780 3.838 2.803 + 580WAT H2 1927 2.674 3.913 2.725 + 581WAT O 1928 3.446 0.735 1.246 + 581WAT H1 1929 3.488 0.653 1.221 + 581WAT H2 1930 3.515 0.783 1.293 + 582WAT O 1931 1.472 3.599 1.808 + 582WAT H1 1932 1.554 3.631 1.771 + 582WAT H2 1933 1.439 3.536 1.744 + 583WAT O 1934 0.152 0.193 3.531 + 583WAT H1 1935 0.199 0.276 3.524 + 583WAT H2 1936 0.082 0.200 3.467 + 584WAT O 1937 1.194 2.500 2.001 + 584WAT H1 1938 1.234 2.578 2.041 + 584WAT H2 1939 1.191 2.520 1.907 + 585WAT O 1940 2.850 2.575 1.362 + 585WAT H1 1941 2.858 2.635 1.288 + 585WAT H2 1942 2.867 2.629 1.439 + 586WAT O 1943 2.948 2.774 1.521 + 586WAT H1 1944 3.027 2.805 1.477 + 586WAT H2 1945 2.913 2.852 1.565 + 587WAT O 1946 2.054 1.541 3.082 + 587WAT H1 1947 2.060 1.618 3.026 + 587WAT H2 1948 1.975 1.554 3.133 + 588WAT O 1949 2.292 2.976 0.673 + 588WAT H1 1950 2.383 2.998 0.690 + 588WAT H2 1951 2.289 2.951 0.581 + 589WAT O 1952 3.019 1.933 2.345 + 589WAT H1 1953 3.097 1.967 2.301 + 589WAT H2 1954 2.961 1.908 2.274 + 590WAT O 1955 2.674 1.563 0.712 + 590WAT H1 1956 2.740 1.560 0.781 + 590WAT H2 1957 2.603 1.509 0.744 + 591WAT O 1958 3.001 1.742 1.141 + 591WAT H1 1959 3.085 1.768 1.104 + 591WAT H2 1960 2.979 1.813 1.202 + 592WAT O 1961 3.956 0.986 0.582 + 592WAT H1 1962 4.020 0.973 0.512 + 592WAT H2 1963 3.887 0.923 0.565 + 593WAT O 1964 2.920 2.119 0.271 + 593WAT H1 1965 2.931 2.030 0.236 + 593WAT H2 1966 2.880 2.106 0.357 + 594WAT O 1967 0.921 0.244 2.018 + 594WAT H1 1968 0.977 0.284 2.085 + 594WAT H2 1969 0.833 0.276 2.036 + 595WAT O 1970 0.604 0.672 1.126 + 595WAT H1 1971 0.615 0.677 1.221 + 595WAT H2 1972 0.647 0.590 1.102 + 596WAT O 1973 0.605 2.688 1.955 + 596WAT H1 1974 0.644 2.651 1.876 + 596WAT H2 1975 0.652 2.769 1.971 + 597WAT O 1976 2.096 3.973 0.216 + 597WAT H1 1977 2.134 4.021 0.142 + 597WAT H2 1978 2.131 4.017 0.293 + 598WAT O 1979 0.945 0.218 3.232 + 598WAT H1 1980 0.851 0.203 3.221 + 598WAT H2 1981 0.984 0.131 3.230 + 599WAT O 1982 1.042 3.064 2.571 + 599WAT H1 1983 0.999 3.102 2.647 + 599WAT H2 1984 1.021 2.971 2.575 + 600WAT O 1985 1.594 3.039 0.457 + 600WAT H1 1986 1.601 3.033 0.552 + 600WAT H2 1987 1.664 3.098 0.431 + 601WAT O 1988 2.466 3.303 1.056 + 601WAT H1 1989 2.446 3.352 0.976 + 601WAT H2 1990 2.504 3.367 1.115 + 602WAT O 1991 2.368 2.136 0.789 + 602WAT H1 1992 2.336 2.147 0.879 + 602WAT H2 1993 2.399 2.045 0.787 + 603WAT O 1994 0.843 3.787 3.515 + 603WAT H1 1995 0.908 3.830 3.460 + 603WAT H2 1996 0.769 3.849 3.519 + 604WAT O 1997 1.106 2.344 3.500 + 604WAT H1 1998 1.194 2.370 3.472 + 604WAT H2 1999 1.120 2.266 3.553 + 605WAT O 2000 0.079 2.320 1.041 + 605WAT H1 2001 0.018 2.388 1.012 + 605WAT H2 2002 0.092 2.264 0.963 + 606WAT O 2003 0.316 0.995 2.626 + 606WAT H1 2004 0.407 1.026 2.626 + 606WAT H2 2005 0.293 0.988 2.719 + 607WAT O 2006 1.839 2.750 0.384 + 607WAT H1 2007 1.850 2.655 0.385 + 607WAT H2 2008 1.898 2.782 0.453 + 608WAT O 2009 3.611 3.253 3.179 + 608WAT H1 2010 3.667 3.326 3.151 + 608WAT H2 2011 3.547 3.293 3.237 + 609WAT O 2012 1.848 1.971 3.377 + 609WAT H1 2013 1.804 1.895 3.416 + 609WAT H2 2014 1.871 1.943 3.289 + 610WAT O 2015 2.801 3.477 0.845 + 610WAT H1 2016 2.745 3.505 0.773 + 610WAT H2 2017 2.790 3.545 0.911 + 611WAT O 2018 0.142 4.025 3.733 + 611WAT H1 2019 0.209 3.958 3.729 + 611WAT H2 2020 0.178 0.066 3.683 + 612WAT O 2021 2.279 2.502 1.271 + 612WAT H1 2022 2.193 2.490 1.231 + 612WAT H2 2023 2.316 2.579 1.227 + 613WAT O 2024 3.992 1.017 3.068 + 613WAT H1 2025 3.968 0.939 3.018 + 613WAT H2 2026 3.927 1.022 3.138 + 614WAT O 2027 3.725 2.386 3.376 + 614WAT H1 2028 3.664 2.409 3.446 + 614WAT H2 2029 3.692 2.432 3.299 + 615WAT O 2030 3.216 0.382 2.485 + 615WAT H1 2031 3.194 0.443 2.556 + 615WAT H2 2032 3.152 0.400 2.416 + 616WAT O 2033 0.130 3.703 2.925 + 616WAT H1 2034 0.037 3.729 2.929 + 616WAT H2 2035 0.161 3.714 3.014 + 617WAT O 2036 1.008 3.141 1.309 + 617WAT H1 2037 0.921 3.112 1.283 + 617WAT H2 2038 1.066 3.106 1.242 + 618WAT O 2039 3.991 1.297 2.145 + 618WAT H1 2040 3.966 1.353 2.072 + 618WAT H2 2041 0.018 1.232 2.107 + 619WAT O 2042 3.472 3.322 1.940 + 619WAT H1 2043 3.397 3.305 1.997 + 619WAT H2 2044 3.434 3.359 1.860 + 620WAT O 2045 3.376 0.120 2.428 + 620WAT H1 2046 3.409 0.114 2.339 + 620WAT H2 2047 3.356 0.213 2.439 + 621WAT O 2048 2.644 0.349 1.137 + 621WAT H1 2049 2.565 0.329 1.087 + 621WAT H2 2050 2.634 0.302 1.219 + 622WAT O 2051 2.078 1.393 3.978 + 622WAT H1 2052 2.069 1.442 0.027 + 622WAT H2 2053 1.995 1.348 3.967 + 623WAT O 2054 1.727 2.997 0.701 + 623WAT H1 2055 1.799 3.033 0.752 + 623WAT H2 2056 1.704 2.916 0.746 + 624WAT O 2057 2.735 0.273 0.578 + 624WAT H1 2058 2.703 0.184 0.589 + 624WAT H2 2059 2.719 0.315 0.663 + 625WAT O 2060 3.241 1.767 0.554 + 625WAT H1 2061 3.240 1.704 0.482 + 625WAT H2 2062 3.219 1.850 0.513 + 626WAT O 2063 1.262 1.054 3.267 + 626WAT H1 2064 1.341 1.000 3.276 + 626WAT H2 2065 1.294 1.136 3.229 + 627WAT O 2066 0.172 1.090 3.350 + 627WAT H1 2067 0.177 1.181 3.378 + 627WAT H2 2068 0.257 1.073 3.309 + 628WAT O 2069 3.006 1.853 3.912 + 628WAT H1 2070 3.054 1.785 3.865 + 628WAT H2 2071 2.995 1.923 3.847 + 629WAT O 2072 0.929 2.551 0.627 + 629WAT H1 2073 0.986 2.504 0.566 + 629WAT H2 2074 0.953 2.643 0.616 + 630WAT O 2075 2.244 1.262 1.676 + 630WAT H1 2076 2.259 1.176 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3.522 3.366 + 1873WAT O 5804 0.479 3.549 2.341 + 1873WAT H1 5805 0.527 3.593 2.411 + 1873WAT H2 5806 0.406 3.507 2.385 + 1874WAT O 5807 2.355 3.366 0.411 + 1874WAT H1 5808 2.433 3.388 0.360 + 1874WAT H2 5809 2.387 3.309 0.481 + 1875WAT O 5810 3.908 3.588 3.590 + 1875WAT H1 5811 3.865 3.670 3.566 + 1875WAT H2 5812 3.841 3.521 3.575 + 1876WAT O 5813 0.754 1.729 2.316 + 1876WAT H1 5814 0.812 1.676 2.262 + 1876WAT H2 5815 0.714 1.667 2.377 + 1877WAT O 5816 3.908 0.311 3.412 + 1877WAT H1 5817 3.941 0.362 3.486 + 1877WAT H2 5818 3.864 0.375 3.356 + 1878WAT O 5819 2.991 2.497 3.932 + 1878WAT H1 5820 3.044 2.425 3.965 + 1878WAT H2 5821 2.915 2.455 3.892 + 1879WAT O 5822 3.994 3.181 2.084 + 1879WAT H1 5823 0.020 3.197 2.010 + 1879WAT H2 5824 0.011 3.120 2.140 + 1880WAT O 5825 0.597 2.700 0.933 + 1880WAT H1 5826 0.618 2.758 1.006 + 1880WAT H2 5827 0.597 2.612 0.972 + 1881WAT O 5828 1.285 1.851 0.059 + 1881WAT H1 5829 1.374 1.886 0.067 + 1881WAT H2 5830 1.294 1.758 0.083 + 1882WAT O 5831 2.884 2.634 1.083 + 1882WAT H1 5832 2.925 2.568 1.027 + 1882WAT H2 5833 2.931 2.715 1.062 + 1883WAT O 5834 2.764 1.393 1.938 + 1883WAT H1 5835 2.754 1.481 1.903 + 1883WAT H2 5836 2.718 1.394 2.021 + 1884WAT O 5837 0.862 3.764 1.637 + 1884WAT H1 5838 0.843 3.704 1.564 + 1884WAT H2 5839 0.941 3.810 1.609 + 1885WAT O 5840 0.536 1.587 3.269 + 1885WAT H1 5841 0.613 1.619 3.222 + 1885WAT H2 5842 0.543 1.492 3.266 + 1886WAT O 5843 2.634 2.753 0.331 + 1886WAT H1 5844 2.636 2.668 0.287 + 1886WAT H2 5845 2.720 2.791 0.315 + 1887WAT O 5846 3.738 3.195 3.470 + 1887WAT H1 5847 3.686 3.118 3.495 + 1887WAT H2 5848 3.733 3.197 3.374 + 1888WAT O 5849 0.319 0.229 3.951 + 1888WAT H1 5850 0.230 0.203 3.975 + 1888WAT H2 5851 0.358 0.149 3.916 + 1889WAT O 5852 3.436 3.831 1.791 + 1889WAT H1 5853 3.497 3.804 1.723 + 1889WAT H2 5854 3.439 3.761 1.856 + 1890WAT O 5855 0.521 3.996 0.485 + 1890WAT H1 5856 0.520 3.972 0.578 + 1890WAT H2 5857 0.477 3.923 0.442 + 1891WAT O 5858 1.093 2.421 2.223 + 1891WAT H1 5859 1.151 2.452 2.293 + 1891WAT H2 5860 1.135 2.452 2.143 + 1892WAT O 5861 3.230 3.978 1.075 + 1892WAT H1 5862 3.269 3.934 1.000 + 1892WAT H2 5863 3.298 3.975 1.143 + 1893WAT O 5864 2.476 0.343 0.880 + 1893WAT H1 5865 2.427 0.319 0.959 + 1893WAT H2 5866 2.414 0.331 0.809 + 1894WAT O 5867 0.404 3.793 0.330 + 1894WAT H1 5868 0.413 3.793 0.235 + 1894WAT H2 5869 0.409 3.700 0.354 + 1895WAT O 5870 1.198 2.914 1.836 + 1895WAT H1 5871 1.216 2.997 1.880 + 1895WAT H2 5872 1.105 2.919 1.814 + 1896WAT O 5873 1.407 2.665 2.804 + 1896WAT H1 5874 1.420 2.676 2.710 + 1896WAT H2 5875 1.455 2.737 2.844 + 1897WAT O 5876 3.678 2.215 1.896 + 1897WAT H1 5877 3.692 2.308 1.878 + 1897WAT H2 5878 3.636 2.214 1.982 + 1898WAT O 5879 1.323 0.204 1.761 + 1898WAT H1 5880 1.248 0.244 1.718 + 1898WAT H2 5881 1.290 0.121 1.795 + 1899WAT O 5882 2.917 2.638 2.095 + 1899WAT H1 5883 2.933 2.557 2.046 + 1899WAT H2 5884 3.004 2.670 2.117 + 1900WAT O 5885 1.453 1.203 0.580 + 1900WAT H1 5886 1.429 1.296 0.578 + 1900WAT H2 5887 1.547 1.202 0.562 + 1901WAT O 5888 0.662 1.210 2.001 + 1901WAT H1 5889 0.720 1.157 2.055 + 1901WAT H2 5890 0.710 1.292 1.987 + 1902WAT O 5891 1.324 2.074 2.549 + 1902WAT H1 5892 1.236 2.104 2.568 + 1902WAT H2 5893 1.319 1.978 2.557 + 1903WAT O 5894 2.909 1.015 1.504 + 1903WAT H1 5895 3.002 0.994 1.497 + 1903WAT H2 5896 2.895 1.031 1.598 + 1904WAT O 5897 2.062 1.398 3.349 + 1904WAT H1 5898 2.131 1.409 3.414 + 1904WAT H2 5899 2.106 1.406 3.265 + 1905WAT O 5900 0.294 0.793 1.376 + 1905WAT H1 5901 0.283 0.851 1.301 + 1905WAT H2 5902 0.228 0.822 1.439 + 1906WAT O 5903 3.831 0.415 2.858 + 1906WAT H1 5904 3.745 0.447 2.884 + 1906WAT H2 5905 3.830 0.419 2.762 + 1907WAT O 5906 0.971 0.093 3.543 + 1907WAT H1 5907 1.051 0.076 3.493 + 1907WAT H2 5908 0.975 0.186 3.563 + 1908WAT O 5909 3.790 0.215 0.730 + 1908WAT H1 5910 3.870 0.214 0.782 + 1908WAT H2 5911 3.761 0.124 0.730 + 1909WAT O 5912 1.966 1.066 2.397 + 1909WAT H1 5913 1.913 1.006 2.344 + 1909WAT H2 5914 1.965 1.148 2.348 + 1910WAT O 5915 1.965 2.277 0.208 + 1910WAT H1 5916 1.937 2.197 0.252 + 1910WAT H2 5917 1.997 2.248 0.123 + 1911WAT O 5918 3.652 2.765 3.618 + 1911WAT H1 5919 3.570 2.730 3.584 + 1911WAT H2 5920 3.662 2.723 3.703 + 1912WAT O 5921 3.332 1.892 3.970 + 1912WAT H1 5922 3.308 1.887 3.878 + 1912WAT H2 5923 3.405 1.955 3.972 + 1913WAT O 5924 1.074 3.354 0.228 + 1913WAT H1 5925 1.015 3.306 0.170 + 1913WAT H2 5926 1.162 3.331 0.198 + 1914WAT O 5927 0.689 2.002 3.617 + 1914WAT H1 5928 0.673 2.092 3.644 + 1914WAT H2 5929 0.631 1.989 3.542 + 1915WAT O 5930 3.898 0.590 3.547 + 1915WAT H1 5931 3.815 0.548 3.571 + 1915WAT H2 5932 3.872 0.676 3.513 + 1916WAT O 5933 1.009 0.681 0.723 + 1916WAT H1 5934 1.028 0.613 0.788 + 1916WAT H2 5935 0.956 0.745 0.771 + 1917WAT O 5936 2.100 1.804 0.238 + 1917WAT H1 5937 2.182 1.774 0.278 + 1917WAT H2 5938 2.098 1.897 0.257 + 1918WAT O 5939 1.739 3.657 1.406 + 1918WAT H1 5940 1.749 3.563 1.389 + 1918WAT H2 5941 1.739 3.663 1.501 + 1919WAT O 5942 0.389 1.726 2.688 + 1919WAT H1 5943 0.397 1.731 2.592 + 1919WAT H2 5944 0.367 1.814 2.715 + 1920WAT O 5945 1.837 0.454 1.362 + 1920WAT H1 5946 1.809 0.508 1.287 + 1920WAT H2 5947 1.803 0.501 1.438 + 1921WAT O 5948 3.025 3.975 1.251 + 1921WAT H1 5949 3.099 4.011 1.202 + 1921WAT H2 5950 3.059 3.896 1.294 + 1922WAT O 5951 1.742 3.372 1.296 + 1922WAT H1 5952 1.718 3.371 1.204 + 1922WAT H2 5953 1.665 3.337 1.342 + 1923WAT O 5954 1.685 1.757 3.435 + 1923WAT H1 5955 1.600 1.759 3.478 + 1923WAT H2 5956 1.711 1.664 3.437 + 1924WAT O 5957 3.556 1.759 2.976 + 1924WAT H1 5958 3.603 1.818 2.916 + 1924WAT H2 5959 3.507 1.701 2.919 + 1925WAT O 5960 3.010 0.292 0.788 + 1925WAT H1 5961 3.003 0.241 0.869 + 1925WAT H2 5962 2.927 0.339 0.783 + 1926WAT O 5963 0.257 2.772 1.626 + 1926WAT H1 5964 0.350 2.783 1.606 + 1926WAT H2 5965 0.255 2.734 1.713 + 1927WAT O 5966 0.279 0.200 1.030 + 1927WAT H1 5967 0.285 0.144 1.107 + 1927WAT H2 5968 0.366 0.197 0.991 + 1928WAT O 5969 2.548 3.222 1.484 + 1928WAT H1 5970 2.617 3.213 1.550 + 1928WAT H2 5971 2.468 3.192 1.528 + 1929WAT O 5972 3.961 2.890 0.672 + 1929WAT H1 5973 3.886 2.842 0.707 + 1929WAT H2 5974 4.030 2.878 0.738 + 1930WAT O 5975 1.745 2.245 1.124 + 1930WAT H1 5976 1.799 2.303 1.069 + 1930WAT H2 5977 1.746 2.285 1.210 + 1931WAT O 5978 3.335 2.496 1.745 + 1931WAT H1 5979 3.342 2.418 1.799 + 1931WAT H2 5980 3.242 2.501 1.722 + 1932WAT O 5981 1.542 1.418 3.757 + 1932WAT H1 5982 1.505 1.342 3.713 + 1932WAT H2 5983 1.553 1.483 3.687 + 1933WAT O 5984 0.784 1.467 0.038 + 1933WAT H1 5985 0.828 1.549 0.060 + 1933WAT H2 5986 0.785 1.465 3.975 + 1934WAT O 5987 2.849 3.905 2.117 + 1934WAT H1 5988 2.935 3.941 2.135 + 1934WAT H2 5989 2.789 3.978 2.133 + 1935WAT O 5990 2.024 2.504 1.176 + 1935WAT H1 5991 1.996 2.487 1.267 + 1935WAT H2 5992 1.944 2.493 1.125 + 1936WAT O 5993 2.762 2.154 3.543 + 1936WAT H1 5994 2.773 2.239 3.500 + 1936WAT H2 5995 2.823 2.096 3.498 + 1937WAT O 5996 0.709 3.945 3.953 + 1937WAT H1 5997 0.791 3.987 3.926 + 1937WAT H2 5998 0.713 3.943 0.016 + 1938WAT O 5999 2.271 2.173 2.392 + 1938WAT H1 6000 2.293 2.135 2.477 + 1938WAT H2 6001 2.354 2.209 2.360 + 1939WAT O 6002 3.780 3.453 3.154 + 1939WAT H1 6003 3.843 3.462 3.225 + 1939WAT H2 6004 3.739 3.540 3.147 + 1940WAT O 6005 3.489 1.191 2.632 + 1940WAT H1 6006 3.401 1.155 2.636 + 1940WAT H2 6007 3.539 1.127 2.583 + 1941WAT O 6008 1.280 3.034 1.456 + 1941WAT H1 6009 1.256 2.945 1.479 + 1941WAT H2 6010 1.261 3.040 1.362 + 1942WAT O 6011 0.499 3.104 1.040 + 1942WAT H1 6012 0.535 3.112 0.952 + 1942WAT H2 6013 0.449 3.184 1.053 + 1943WAT O 6014 1.401 3.720 3.656 + 1943WAT H1 6015 1.351 3.681 3.728 + 1943WAT H2 6016 1.424 3.646 3.600 + 1944WAT O 6017 2.883 0.668 1.946 + 1944WAT H1 6018 2.927 0.607 1.887 + 1944WAT H2 6019 2.832 0.613 2.005 + 1945WAT O 6020 1.275 1.682 2.844 + 1945WAT H1 6021 1.289 1.758 2.900 + 1945WAT H2 6022 1.188 1.650 2.869 + 1946WAT O 6023 0.095 2.513 0.325 + 1946WAT H1 6024 0.174 2.480 0.284 + 1946WAT H2 6025 0.114 2.605 0.346 + 1947WAT O 6026 1.307 2.280 0.964 + 1947WAT H1 6027 1.246 2.274 1.038 + 1947WAT H2 6028 1.283 2.361 0.920 + 1948WAT O 6029 2.648 1.381 3.786 + 1948WAT H1 6030 2.616 1.293 3.805 + 1948WAT H2 6031 2.595 1.411 3.712 + 1949WAT O 6032 2.993 3.462 3.217 + 1949WAT H1 6033 3.040 3.518 3.154 + 1949WAT H2 6034 3.009 3.373 3.186 + 1950WAT O 6035 1.841 1.891 1.213 + 1950WAT H1 6036 1.879 1.927 1.133 + 1950WAT H2 6037 1.877 1.945 1.284 + 1951WAT O 6038 1.605 2.890 1.492 + 1951WAT H1 6039 1.619 2.870 1.399 + 1951WAT H2 6040 1.638 2.980 1.502 + 1952WAT O 6041 2.312 3.074 1.147 + 1952WAT H1 6042 2.253 3.107 1.214 + 1952WAT H2 6043 2.383 3.139 1.143 + 1953WAT O 6044 1.957 0.925 1.197 + 1953WAT H1 6045 1.944 0.988 1.268 + 1953WAT H2 6046 2.052 0.922 1.186 + 1954WAT O 6047 1.402 1.105 0.259 + 1954WAT H1 6048 1.411 1.134 0.350 + 1954WAT H2 6049 1.454 1.167 0.208 + 1955WAT O 6050 2.384 2.214 3.871 + 1955WAT H1 6051 2.421 2.154 3.935 + 1955WAT H2 6052 2.428 2.192 3.789 + 1956WAT O 6053 0.180 1.445 3.764 + 1956WAT H1 6054 0.093 1.416 3.792 + 1956WAT H2 6055 0.192 1.402 3.679 + 1957WAT O 6056 3.832 0.532 2.604 + 1957WAT H1 6057 3.799 0.619 2.628 + 1957WAT H2 6058 3.897 0.549 2.536 + 1958WAT O 6059 3.662 1.682 2.270 + 1958WAT H1 6060 3.685 1.683 2.363 + 1958WAT H2 6061 3.742 1.706 2.225 + 1959WAT O 6062 2.580 1.859 1.274 + 1959WAT H1 6063 2.487 1.864 1.296 + 1959WAT H2 6064 2.581 1.829 1.183 + 1960WAT O 6065 2.207 3.426 1.470 + 1960WAT H1 6066 2.161 3.457 1.548 + 1960WAT H2 6067 2.175 3.482 1.400 + 1961WAT O 6068 1.823 2.020 0.347 + 1961WAT H1 6069 1.845 1.935 0.384 + 1961WAT H2 6070 1.791 2.072 0.420 + 1962WAT O 6071 2.976 3.965 2.517 + 1962WAT H1 6072 2.967 3.988 2.425 + 1962WAT H2 6073 2.927 0.000 2.564 + 1963WAT O 6074 1.454 2.856 1.861 + 1963WAT H1 6075 1.492 2.781 1.817 + 1963WAT H2 6076 1.360 2.847 1.847 + 1964WAT O 6077 1.584 3.828 3.278 + 1964WAT H1 6078 1.593 3.851 3.370 + 1964WAT H2 6079 1.494 3.799 3.269 + 1965WAT O 6080 0.996 2.608 1.028 + 1965WAT H1 6081 1.079 2.599 0.981 + 1965WAT H2 6082 0.945 2.533 1.001 + 1966WAT O 6083 3.836 3.643 1.233 + 1966WAT H1 6084 3.794 3.723 1.264 + 1966WAT H2 6085 3.828 3.647 1.138 + 1967WAT O 6086 1.845 2.308 0.733 + 1967WAT H1 6087 1.932 2.317 0.694 + 1967WAT H2 6088 1.813 2.224 0.702 + 1968WAT O 6089 2.223 0.830 2.017 + 1968WAT H1 6090 2.225 0.880 1.936 + 1968WAT H2 6091 2.174 0.751 1.996 + 1969WAT O 6092 3.114 0.887 1.225 + 1969WAT H1 6093 3.168 0.894 1.147 + 1969WAT H2 6094 3.026 0.869 1.192 + 1970WAT O 6095 2.341 1.927 3.234 + 1970WAT H1 6096 2.263 1.939 3.181 + 1970WAT H2 6097 2.381 1.846 3.200 + 1971WAT O 6098 0.351 0.169 2.523 + 1971WAT H1 6099 0.388 0.165 2.434 + 1971WAT H2 6100 0.317 0.259 2.530 + 1972WAT O 6101 0.392 3.711 1.562 + 1972WAT H1 6102 0.388 3.665 1.646 + 1972WAT H2 6103 0.469 3.676 1.518 + 1973WAT O 6104 2.150 0.785 1.412 + 1973WAT H1 6105 2.245 0.782 1.424 + 1973WAT H2 6106 2.125 0.694 1.394 + 1974WAT O 6107 1.740 3.900 0.743 + 1974WAT H1 6108 1.715 3.924 0.832 + 1974WAT H2 6109 1.832 3.926 0.737 + 1975WAT O 6110 1.538 0.797 3.616 + 1975WAT H1 6111 1.557 0.722 3.560 + 1975WAT H2 6112 1.449 0.782 3.648 + 1976WAT O 6113 2.089 3.552 2.802 + 1976WAT H1 6114 2.122 3.576 2.715 + 1976WAT H2 6115 2.138 3.606 2.863 + 1977WAT O 6116 0.883 1.112 1.672 + 1977WAT H1 6117 0.837 1.134 1.591 + 1977WAT H2 6118 0.821 1.056 1.720 + 1978WAT O 6119 3.882 1.694 0.946 + 1978WAT H1 6120 3.844 1.617 0.901 + 1978WAT H2 6121 3.976 1.679 0.942 + 1979WAT O 6122 1.749 0.688 1.980 + 1979WAT H1 6123 1.714 0.606 1.944 + 1979WAT H2 6124 1.739 0.678 2.074 + 1980WAT O 6125 1.161 1.201 1.087 + 1980WAT H1 6126 1.146 1.106 1.088 + 1980WAT H2 6127 1.196 1.220 1.175 + 1981WAT O 6128 0.953 2.663 3.837 + 1981WAT H1 6129 0.935 2.734 3.775 + 1981WAT H2 6130 1.046 2.671 3.856 + 1982WAT O 6131 4.022 0.577 2.863 + 1982WAT H1 6132 3.952 0.513 2.872 + 1982WAT H2 6133 0.002 0.586 2.768 + 1983WAT O 6134 0.753 3.538 3.806 + 1983WAT H1 6135 0.777 3.513 3.895 + 1983WAT H2 6136 0.781 3.465 3.751 + 1984WAT O 6137 2.534 1.773 3.087 + 1984WAT H1 6138 2.527 1.693 3.035 + 1984WAT H2 6139 2.591 1.751 3.160 + 1985WAT O 6140 3.391 0.162 0.065 + 1985WAT H1 6141 3.344 0.236 0.027 + 1985WAT H2 6142 3.481 0.171 0.034 + 1986WAT O 6143 2.971 3.887 3.339 + 1986WAT H1 6144 3.028 3.867 3.264 + 1986WAT H2 6145 2.891 3.921 3.299 + 1987WAT O 6146 3.378 2.025 1.802 + 1987WAT H1 6147 3.383 2.003 1.709 + 1987WAT H2 6148 3.449 1.976 1.843 + 1988WAT O 6149 2.373 3.215 1.715 + 1988WAT H1 6150 2.324 3.197 1.795 + 1988WAT H2 6151 2.373 3.310 1.708 + 1989WAT O 6152 1.217 1.010 3.633 + 1989WAT H1 6153 1.177 0.949 3.572 + 1989WAT H2 6154 1.207 0.968 3.719 + 1990WAT O 6155 1.656 3.714 0.995 + 1990WAT H1 6156 1.639 3.739 0.904 + 1990WAT H2 6157 1.746 3.681 0.995 + 1991WAT O 6158 2.483 3.042 2.730 + 1991WAT H1 6159 2.557 3.004 2.778 + 1991WAT H2 6160 2.491 3.136 2.745 + 1992WAT O 6161 3.300 1.868 2.888 + 1992WAT H1 6162 3.331 1.893 2.975 + 1992WAT H2 6163 3.298 1.772 2.890 + 1993WAT O 6164 0.089 3.546 0.529 + 1993WAT H1 6165 4.032 3.514 0.520 + 1993WAT H2 6166 0.100 3.560 0.623 + 1994WAT O 6167 3.327 1.007 2.205 + 1994WAT H1 6168 3.257 1.020 2.141 + 1994WAT H2 6169 3.292 1.045 2.286 + 1995WAT O 6170 2.586 0.387 2.066 + 1995WAT H1 6171 2.678 0.413 2.072 + 1995WAT H2 6172 2.556 0.385 2.157 + 1996WAT O 6173 1.990 1.490 1.532 + 1996WAT H1 6174 1.943 1.541 1.598 + 1996WAT H2 6175 2.009 1.406 1.575 + 1997WAT O 6176 1.453 1.686 3.567 + 1997WAT H1 6177 1.423 1.597 3.551 + 1997WAT H2 6178 1.383 1.726 3.619 + 1998WAT O 6179 3.580 0.907 2.167 + 1998WAT H1 6180 3.561 0.814 2.155 + 1998WAT H2 6181 3.496 0.947 2.189 + 1999WAT O 6182 3.813 0.748 2.954 + 1999WAT H1 6183 3.883 0.708 2.902 + 1999WAT H2 6184 3.740 0.757 2.893 + 2000WAT O 6185 1.373 3.756 2.838 + 2000WAT H1 6186 1.342 3.791 2.922 + 2000WAT H2 6187 1.459 3.795 2.826 + 2001WAT O 6188 2.161 3.206 2.297 + 2001WAT H1 6189 2.255 3.190 2.289 + 2001WAT H2 6190 2.151 3.247 2.384 + 2002WAT O 6191 3.307 2.516 1.429 + 2002WAT H1 6192 3.250 2.498 1.504 + 2002WAT H2 6193 3.261 2.479 1.354 + 2003WAT O 6194 3.016 2.591 2.411 + 2003WAT H1 6195 3.056 2.664 2.364 + 2003WAT H2 6196 2.929 2.623 2.436 + 2004WAT O 6197 1.831 1.255 1.068 + 2004WAT H1 6198 1.921 1.226 1.083 + 2004WAT H2 6199 1.839 1.350 1.054 + 2005WAT O 6200 1.674 1.352 1.447 + 2005WAT H1 6201 1.635 1.310 1.371 + 2005WAT H2 6202 1.709 1.435 1.414 + 2006WAT O 6203 1.217 1.130 4.016 + 2006WAT H1 6204 1.173 1.110 0.066 + 2006WAT H2 6205 1.231 1.045 3.974 + 2007WAT O 6206 2.058 1.757 2.876 + 2007WAT H1 6207 2.007 1.814 2.818 + 2007WAT H2 6208 2.079 1.681 2.822 + 2008WAT O 6209 1.436 3.444 1.594 + 2008WAT H1 6210 1.528 3.417 1.587 + 2008WAT H2 6211 1.395 3.409 1.515 + 2009WAT O 6212 3.290 0.180 3.570 + 2009WAT H1 6213 3.224 0.172 3.501 + 2009WAT H2 6214 3.281 0.100 3.621 + 2010WAT O 6215 3.259 2.447 0.054 + 2010WAT H1 6216 3.351 2.428 0.069 + 2010WAT H2 6217 3.214 2.364 0.069 + 2011WAT O 6218 0.539 3.327 3.351 + 2011WAT H1 6219 0.620 3.278 3.361 + 2011WAT H2 6220 0.557 3.388 3.279 + 2012WAT O 6221 0.653 2.048 0.303 + 2012WAT H1 6222 0.632 2.107 0.376 + 2012WAT H2 6223 0.728 1.998 0.335 + 2013WAT O 6224 2.144 0.207 0.679 + 2013WAT H1 6225 2.149 0.303 0.677 + 2013WAT H2 6226 2.232 0.179 0.702 + 2014WAT O 6227 0.800 0.846 0.837 + 2014WAT H1 6228 0.764 0.926 0.799 + 2014WAT H2 6229 0.795 0.859 0.931 + 2015WAT O 6230 2.494 3.242 2.930 + 2015WAT H1 6231 2.435 3.179 2.971 + 2015WAT H2 6232 2.455 3.327 2.950 + 2016WAT O 6233 0.168 0.197 1.835 + 2016WAT H1 6234 0.180 0.279 1.882 + 2016WAT H2 6235 0.078 0.201 1.802 + 2017WAT O 6236 3.283 1.953 2.625 + 2017WAT H1 6237 3.310 1.939 2.716 + 2017WAT H2 6238 3.189 1.970 2.631 + 2018WAT O 6239 2.050 2.390 2.097 + 2018WAT H1 6240 2.075 2.325 2.163 + 2018WAT H2 6241 1.971 2.356 2.057 + 2019WAT O 6242 0.109 1.595 2.145 + 2019WAT H1 6243 0.019 1.625 2.132 + 2019WAT H2 6244 0.103 1.500 2.147 + 2020WAT O 6245 1.042 1.235 3.090 + 2020WAT H1 6246 1.027 1.281 3.173 + 2020WAT H2 6247 1.111 1.285 3.046 + 2021WAT O 6248 1.849 0.020 0.480 + 2021WAT H1 6249 1.910 4.009 0.541 + 2021WAT H2 6250 1.776 0.049 0.535 + 2022WAT O 6251 2.030 2.820 0.647 + 2022WAT H1 6252 2.047 2.894 0.589 + 2022WAT H2 6253 2.106 2.816 0.704 + 2023WAT O 6254 0.423 2.235 1.629 + 2023WAT H1 6255 0.458 2.218 1.541 + 2023WAT H2 6256 0.433 2.152 1.675 + 2024WAT O 6257 2.321 1.847 0.445 + 2024WAT H1 6258 2.403 1.810 0.411 + 2024WAT H2 6259 2.305 1.799 0.526 + 2025WAT O 6260 0.477 2.228 3.216 + 2025WAT H1 6261 0.485 2.311 3.168 + 2025WAT H2 6262 0.538 2.237 3.289 + 2026WAT O 6263 1.788 0.726 1.422 + 2026WAT H1 6264 1.752 0.814 1.430 + 2026WAT H2 6265 1.863 0.726 1.482 + 2027WAT O 6266 0.791 2.391 2.022 + 2027WAT H1 6267 0.855 2.416 2.089 + 2027WAT H2 6268 0.717 2.356 2.072 + 2028WAT O 6269 2.778 1.033 1.250 + 2028WAT H1 6270 2.807 1.004 1.337 + 2028WAT H2 6271 2.811 0.965 1.191 + 2029WAT O 6272 0.001 0.396 3.728 + 2029WAT H1 6273 0.080 0.439 3.695 + 2029WAT H2 6274 3.964 0.461 3.718 + 2030WAT O 6275 1.612 1.962 3.170 + 2030WAT H1 6276 1.618 1.926 3.082 + 2030WAT H2 6277 1.695 1.939 3.211 + 2031WAT O 6278 2.950 3.471 2.600 + 2031WAT H1 6279 2.887 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0000000000000000000000000000000000000000..a9a0b78904a22b14f28caa29e829c89d69c14103 --- /dev/null +++ b/G1/traj/traj_com_8.trr @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:e2b334eefb9c04e559807df714d7bb13d7dd01365f021f6c35e1e199c2634018 +size 16193112 diff --git a/G1/traj/traj_com_9.trr b/G1/traj/traj_com_9.trr new file mode 100644 index 0000000000000000000000000000000000000000..1f1f4c759df19af795651817694f24a25a557cd9 --- /dev/null +++ b/G1/traj/traj_com_9.trr @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:84bfe3deccd60889be185d9ddd901cf07e755356d665705aabac59fd179fd089 +size 54395172 diff --git a/G2/data/NVT.mdp b/G2/data/NVT.mdp new file mode 100644 index 0000000000000000000000000000000000000000..ddbe4a6dc202ff33cbe6db8b083dea0465da5f76 --- /dev/null +++ b/G2/data/NVT.mdp @@ -0,0 +1,70 @@ +define = + +; Integrator stuff +integrator = md ; steep or md +dt = 0.002 +nsteps = 250000000 ; -1 no maximum +init-step = 0 ; +continuation = no + +; neighbour search +cutoff-scheme = verlet ; the other is bad +nst-list = 10 ;frequency of update of neighbours, with verlet-buf-tol its a minimum +verlet-buffer-tolerance = 0.005 ; kj/mol/ps might need to put -1. +ns-type = grid + + +; Pbc +pbc = xyz ; xyz or xy + +; Vdw +rvdw = 1.0 +vdwtype = cut-off ; PME or User to look for table /user +DispCorr = EnerPres ; corrections to energy and pressure or No + +;Electrostatic +coulombtype = PME ; User if look for table +rcoulomb = 1.0 +pme-order = 4 +fourierspacing = 0.1 +ewald-rtol = 1.e-5 ; splitting between real and reciprocal +ewald-geometry = 3d ; 3d or 3dc + +IMD-group = non-Water + +; T and P +tcoupl = v-rescale ; none, nose-hoover, v-rescale +nsttcouple = 10 ; 10 if not used +tc-grps = OCB MOL Water_and_ions +tau-t = 0.1 0.1 0.1 ; ps +ref-t = 300 300 300 ; K +pcoupl = no ; +pcoupltype = isotropic ; +compressibility = 4.5e-5 ; isothermal compressibility of water, bar^-1 +refcoord-scaling = com +tau-p = 5.0 ; ps +ref-p = 1.0 ; bar + +; Constraints +constraints = all-bonds ; constraints distances +constraint-algorithm = LINCS ; or SHAKE +lincs_iter = 1 +lincs_order = 4 + +;Generate velocities +gen_vel = yes ; assign velocities from Maxwell distribution +gen_temp = 300 ; temperature for Maxwell distribution +gen_seed = -1 ; generate a random seed + + +; OUTPUT +; Output control +nstenergy = 1000 ; save energies +nstlog = 1000 ; update log file every +nstxout = 500 ; save coordinates every 1.0 ps + ; nstxout-compressed replaces nstxtcout + +; COM removal . There are more options like removing from groups or the frequency +comm-mode = linear ; linear, angular (removes linear and angular motion) or none +nstcomm = 100 ; frequency of removal of com motion +nstcalcenergy = 500 diff --git a/G2/data/com.ndx b/G2/data/com.ndx new file mode 100644 index 0000000000000000000000000000000000000000..b11645d17080d038351f0ab46df00c988884036f --- /dev/null +++ b/G2/data/com.ndx @@ -0,0 +1,1767 @@ +[ System ] + 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 + 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 + 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 + 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 + 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 + 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 + 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 + 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 + 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 + 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 + 151 152 153 154 155 156 157 158 159 160 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6369 6370 6371 6372 6373 6374 6375 6376 +6377 6378 6379 6380 6381 6382 6383 6384 6385 6386 6387 6388 6389 6390 6391 +6392 6393 6394 6395 6396 6397 6398 6399 6400 6401 6402 6403 6404 6405 6406 +6407 6408 6409 6410 6411 6412 6413 6414 6415 6416 6417 6418 6419 6420 6421 +6422 6423 6424 6425 6426 6427 6428 6429 6430 6431 6432 6433 6434 6435 6436 +6437 6438 6439 6440 6441 6442 6443 6444 6445 6446 6447 6448 6449 6450 6451 +6452 6453 6454 6455 6456 6457 6458 6459 6460 6461 6462 6463 6464 6465 6466 +6467 6468 6469 6470 6471 6472 6473 6474 6475 6476 6477 6478 6479 6480 6481 +6482 6483 6484 6485 6486 6487 6488 6489 6490 6491 6492 6493 6494 6495 6496 +6497 6498 6499 6500 6501 6502 6503 6504 6505 6506 6507 6508 6509 6510 6511 +6512 6513 6514 6515 6516 6517 6518 6519 6520 +[ MOL_OCB ] + 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 + 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 + 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 + 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 + 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 + 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 + 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 + 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 + 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 + 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 + 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 + 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 + 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 + 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 + 211 diff --git a/G2/data/conf_template.pdb b/G2/data/conf_template.pdb new file mode 100644 index 0000000000000000000000000000000000000000..3aa6577bb5f35d7cedf52cf8019bc481df71c6e3 --- /dev/null +++ b/G2/data/conf_template.pdb @@ -0,0 +1,41 @@ +ATOM 16 C1 OCB B 2 18.896 23.137 19.226 1.00 1.00 C +ATOM 17 C2 OCB B 2 21.342 23.951 20.381 1.00 1.00 C +ATOM 18 C3 OCB X 2 20.136 22.782 18.629 1.00 1.00 C +ATOM 19 C4 OCB X 2 18.931 23.951 20.381 1.00 1.00 C +ATOM 20 C5 OCB X 2 20.136 24.324 20.962 1.00 1.00 C +ATOM 21 C6 OCB X 2 21.377 23.137 19.226 1.00 1.00 C +ATOM 22 O1 OCB X 2 22.507 24.274 21.064 1.00 1.00 O +ATOM 23 C7 OCB X 2 22.744 22.744 18.579 1.00 1.00 C +ATOM 24 C8 OCB X 2 23.163 23.163 21.851 1.00 1.00 C +ATOM 25 O2 OCB X 2 24.274 22.507 21.064 1.00 1.00 O +ATOM 26 C9 OCB X 2 23.951 21.342 20.381 1.00 1.00 C +ATOM 27 C10 OCB X 2 23.137 21.377 19.226 1.00 1.00 C +ATOM 28 C11 OCB X 2 22.782 20.136 18.629 1.00 1.00 C +ATOM 29 C12 OCB X 2 24.324 20.136 20.962 1.00 1.00 C +ATOM 30 C13 OCB X 2 23.137 18.896 19.226 1.00 1.00 C +ATOM 31 C14 OCB X 2 23.951 18.931 20.381 1.00 1.00 C +ATOM 32 O3 OCB X 2 24.274 17.765 21.064 1.00 1.00 O +ATOM 33 C15 OCB X 2 22.744 17.528 18.579 1.00 1.00 C +ATOM 34 C16 OCB X 2 21.377 17.135 19.226 1.00 1.00 C +ATOM 35 C17 OCB X 2 21.342 16.321 20.381 1.00 1.00 C +ATOM 36 C18 OCB X 2 23.163 17.109 21.851 1.00 1.00 C +ATOM 37 O4 OCB X 2 22.507 15.998 21.064 1.00 1.00 O +ATOM 38 O5 OCB X 2 17.765 24.274 21.064 1.00 1.00 O +ATOM 39 C19 OCB X 2 17.528 22.744 18.579 1.00 1.00 C +ATOM 40 C20 OCB X 2 17.135 21.377 19.226 1.00 1.00 C +ATOM 41 O6 OCB X 2 15.998 22.507 21.064 1.00 1.00 O +ATOM 42 C21 OCB X 2 16.321 21.342 20.381 1.00 1.00 C +ATOM 43 C22 OCB X 2 20.136 15.948 20.962 1.00 1.00 C +ATOM 44 C23 OCB X 2 18.931 16.321 20.381 1.00 1.00 C +ATOM 45 C24 OCB X 2 15.948 20.136 20.962 1.00 1.00 C +ATOM 46 C25 OCB X 2 16.321 18.931 20.381 1.00 1.00 C +ATOM 47 O7 OCB X 2 17.765 15.998 21.064 1.00 1.00 O +ATOM 48 O8 OCB X 2 15.998 17.765 21.064 1.00 1.00 O +ATOM 49 C26 OCB X 2 17.109 17.109 21.851 1.00 1.00 C +ATOM 50 C27 OCB X 2 17.490 20.136 18.629 1.00 1.00 C +ATOM 51 C28 OCB X 2 17.135 18.896 19.226 1.00 1.00 C +ATOM 52 C29 OCB X 2 20.136 17.490 18.629 1.00 1.00 C +ATOM 53 C30 OCB X 2 17.528 17.528 18.579 1.00 1.00 C +ATOM 54 C31 OCB X 2 18.896 17.135 19.226 1.00 1.00 C +ATOM 55 C32 OCB X 2 17.109 23.163 21.851 1.00 1.00 C +END diff --git a/G2/data/md.tpr b/G2/data/md.tpr new file mode 100644 index 0000000000000000000000000000000000000000..64cece43fe7c2764c77397ac048dbf3f81a2494e --- /dev/null +++ b/G2/data/md.tpr @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:9b0d42f767a025f2fce44abf90079f7249e62cf051e93b0f5bab91e9c3f99737 +size 223004 diff --git a/G2/data/no_water.gro b/G2/data/no_water.gro new file mode 100644 index 0000000000000000000000000000000000000000..7c1142bf37e9e1df4b5e9d64d2d0bc6a533bd8b6 --- /dev/null +++ b/G2/data/no_water.gro @@ -0,0 +1,214 @@ +Generic title t= 40.00000 step= 20000 + 211 + 1MOL C1 1 1.294 0.690 2.192 + 1MOL C2 2 1.427 0.703 2.154 + 1MOL C3 3 1.468 0.775 2.043 + 1MOL C4 4 1.367 0.814 1.957 + 1MOL C5 5 1.238 0.828 2.007 + 1MOL C6 6 1.198 0.761 2.121 + 1MOL C7 7 1.604 0.796 2.002 + 1MOL N1 8 1.714 0.815 1.976 + 1MOL C8 9 1.055 0.740 2.159 + 1MOL O1 10 1.025 0.721 2.275 + 1MOL O2 11 0.971 0.778 2.080 + 1MOL H1 12 1.266 0.620 2.270 + 1MOL H2 13 1.499 0.649 2.214 + 1MOL H3 14 1.388 0.862 1.862 + 1MOL H4 15 1.160 0.881 1.953 + 2OCB C1 16 1.905 2.627 2.125 + 2OCB C2 17 1.723 2.645 2.343 + 2OCB C3 18 1.934 2.696 2.242 + 2OCB C4 19 1.785 2.556 2.123 + 2OCB C5 20 1.698 2.569 2.230 + 2OCB C6 21 1.845 2.712 2.347 + 2OCB O1 22 1.650 2.629 2.458 + 2OCB C7 23 1.879 2.794 2.470 + 2OCB C8 24 1.700 2.538 2.558 + 2OCB O2 25 1.757 2.613 2.667 + 2OCB C9 26 1.893 2.629 2.662 + 2OCB C10 27 1.957 2.715 2.573 + 2OCB C11 28 2.094 2.702 2.558 + 2OCB C12 29 1.973 2.554 2.747 + 2OCB C13 30 2.174 2.613 2.628 + 2OCB C14 31 2.109 2.536 2.723 + 2OCB O3 32 2.175 2.438 2.792 + 2OCB C15 33 2.324 2.598 2.613 + 2OCB C16 34 2.362 2.489 2.515 + 2OCB C17 35 2.382 2.360 2.562 + 2OCB C18 36 2.199 2.319 2.714 + 2OCB O4 37 2.340 2.311 2.683 + 2OCB O5 38 1.751 2.472 2.020 + 2OCB C19 39 1.999 2.625 2.007 + 2OCB C20 40 2.100 2.513 2.023 + 2OCB O6 41 1.939 2.357 1.934 + 2OCB C21 42 2.060 2.384 1.992 + 2OCB C22 43 2.432 2.265 2.474 + 2OCB C23 44 2.464 2.291 2.342 + 2OCB C24 45 2.144 2.275 2.006 + 2OCB C25 46 2.274 2.295 2.050 + 2OCB O7 47 2.489 2.182 2.262 + 2OCB O8 48 2.356 2.187 2.065 + 2OCB C26 49 2.371 2.131 2.197 + 2OCB C27 50 2.229 2.529 2.071 + 2OCB C28 51 2.316 2.422 2.088 + 2OCB C29 52 2.391 2.516 2.382 + 2OCB C30 53 2.452 2.450 2.148 + 2OCB C31 54 2.441 2.420 2.296 + 2OCB C32 55 1.822 2.347 2.017 + 2OCB C33 56 2.401 2.729 2.589 + 2OCB C34 57 2.552 2.713 2.607 + 2OCB C35 58 2.618 2.848 2.595 + 2OCB O9 59 2.617 2.923 2.691 + 2OCB C36 60 1.940 2.930 2.433 + 2OCB C37 61 1.949 3.021 2.556 + 2OCB C38 62 2.002 3.156 2.513 + 2OCB O10 63 2.121 3.169 2.492 + 2OCB C39 64 2.057 2.761 1.964 + 2OCB C40 65 2.117 2.760 1.822 + 2OCB C41 66 2.029 2.716 1.708 + 2OCB O11 67 2.050 2.613 1.647 + 2OCB C42 68 2.528 2.578 2.110 + 2OCB C43 69 2.679 2.569 2.139 + 2OCB C44 70 2.762 2.652 2.045 + 2OCB O12 71 2.779 2.770 2.067 + 2OCB C45 72 1.593 2.443 2.609 + 2OCB C46 73 1.402 2.270 2.711 + 2OCB C47 74 1.586 2.417 2.745 + 2OCB C48 75 1.497 2.385 2.527 + 2OCB C49 76 1.399 2.299 2.576 + 2OCB C50 77 1.495 2.327 2.797 + 2OCB C51 78 1.734 2.232 1.973 + 2OCB C52 79 1.598 1.989 1.932 + 2OCB C53 80 1.796 2.121 1.917 + 2OCB C54 81 1.603 2.215 2.018 + 2OCB C55 82 1.537 2.094 2.000 + 2OCB C56 83 1.731 2.001 1.894 + 2OCB C57 84 2.366 1.980 2.186 + 2OCB C58 85 2.331 1.699 2.192 + 2OCB C59 86 2.407 1.909 2.297 + 2OCB C60 87 2.301 1.914 2.082 + 2OCB C61 88 2.279 1.777 2.090 + 2OCB C62 89 2.386 1.771 2.297 + 2OCB C63 90 2.143 2.197 2.784 + 2OCB C64 91 2.016 1.973 2.901 + 2OCB C65 92 2.155 2.070 2.729 + 2OCB C66 93 2.064 2.209 2.897 + 2OCB C67 94 1.996 2.101 2.950 + 2OCB C68 95 2.090 1.961 2.784 + 2OCB O13 96 1.411 2.082 2.053 + 2OCB O14 97 2.214 1.706 1.993 + 2OCB O15 98 2.435 1.693 2.399 + 2OCB O16 99 1.310 2.234 2.495 + 2OCB O17 100 1.487 2.290 2.929 + 2OCB O18 101 2.112 1.834 2.737 + 2OCB O19 102 1.915 2.114 3.061 + 2OCB C69 103 2.132 1.764 1.899 + 2OCB C70 104 1.983 1.912 1.718 + 2OCB C71 105 2.002 1.798 1.933 + 2OCB C72 106 2.184 1.802 1.777 + 2OCB C73 107 2.111 1.872 1.682 + 2OCB C74 108 1.928 1.866 1.837 + 2OCB O20 109 1.793 1.887 1.850 + 2OCB C75 110 1.292 2.246 2.359 + 2OCB C76 111 1.294 2.280 2.087 + 2OCB C77 112 1.233 2.356 2.299 + 2OCB C78 113 1.351 2.148 2.280 + 2OCB C79 114 1.351 2.166 2.142 + 2OCB C80 115 1.225 2.375 2.162 + 2OCB C81 116 2.392 1.731 2.524 + 2OCB C82 117 2.335 1.802 2.783 + 2OCB C83 118 2.491 1.753 2.618 + 2OCB C84 119 2.260 1.751 2.559 + 2OCB C85 120 2.233 1.789 2.690 + 2OCB C86 121 2.468 1.779 2.752 + 2OCB C87 122 2.582 1.805 2.845 + 2OCB O21 123 2.696 1.809 2.805 + 2OCB C88 124 1.751 2.517 3.272 + 2OCB O22 125 1.656 2.572 3.322 + 2OCB C89 126 1.163 2.496 2.102 + 2OCB O23 127 1.182 2.519 1.985 + 2OCB O24 128 2.701 2.875 2.511 + 2OCB O25 129 2.821 2.597 1.955 + 2OCB O26 130 1.951 2.798 1.662 + 2OCB C90 131 2.167 1.908 1.549 + 2OCB O27 132 2.094 1.952 1.462 + 2OCB O28 133 1.861 2.543 3.316 + 2OCB O29 134 2.566 1.825 2.963 + 2OCB O30 135 2.283 1.892 1.517 + 2OCB O31 136 1.095 2.572 2.168 + 2OCB O32 137 1.929 3.232 2.453 + 2OCB C91 138 1.596 2.299 3.011 + 2OCB C92 139 1.837 2.315 3.152 + 2OCB C93 140 1.694 2.201 3.001 + 2OCB C94 141 1.617 2.403 3.101 + 2OCB C95 142 1.736 2.408 3.171 + 2OCB C96 143 1.818 2.211 3.062 + 2OCB C97 144 1.673 2.084 2.908 + 2OCB C98 145 1.415 2.023 2.334 + 2OCB C99 146 1.951 1.769 2.072 + 2OCB C 147 2.147 1.736 2.459 + 2OCB H1 148 2.030 2.745 2.256 + 2OCB H2 149 1.610 2.505 2.234 + 2OCB H3 150 1.787 2.821 2.523 + 2OCB H4 151 1.778 2.470 2.521 + 2OCB H5 152 2.146 2.749 2.475 + 2OCB H6 153 1.931 2.481 2.816 + 2OCB H7 154 2.355 2.575 2.715 + 2OCB H8 155 2.148 2.337 2.618 + 2OCB H9 156 1.945 2.600 1.916 + 2OCB H10 157 2.439 2.163 2.510 + 2OCB H11 158 2.108 2.178 1.972 + 2OCB H12 159 2.278 2.159 2.249 + 2OCB H13 160 2.256 2.631 2.098 + 2OCB H14 161 2.381 2.619 2.347 + 2OCB H15 162 2.510 2.368 2.105 + 2OCB H16 163 1.845 2.329 2.123 + 2OCB H17 164 2.363 2.768 2.494 + 2OCB H18 165 2.365 2.811 2.651 + 2OCB H19 166 2.574 2.668 2.704 + 2OCB H20 167 2.586 2.654 2.521 + 2OCB H21 168 1.874 2.974 2.358 + 2OCB H22 169 2.039 2.919 2.390 + 2OCB H23 170 1.854 3.036 2.607 + 2OCB H24 171 2.024 2.987 2.628 + 2OCB H25 172 1.980 2.837 1.974 + 2OCB H26 173 2.143 2.795 2.022 + 2OCB H27 174 2.148 2.862 1.797 + 2OCB H28 175 2.204 2.694 1.816 + 2OCB H29 176 2.522 2.587 2.001 + 2OCB H30 177 2.485 2.664 2.161 + 2OCB H31 178 2.699 2.600 2.242 + 2OCB H32 179 2.715 2.468 2.118 + 2OCB H33 180 1.329 2.200 2.752 + 2OCB H34 181 1.671 2.453 2.803 + 2OCB H35 182 1.497 2.406 2.421 + 2OCB H36 183 1.534 1.903 1.917 + 2OCB H37 184 1.902 2.128 1.893 + 2OCB H38 185 1.541 2.297 2.052 + 2OCB H39 186 2.318 1.591 2.194 + 2OCB H40 187 2.459 1.963 2.375 + 2OCB H41 188 2.274 1.973 1.995 + 2OCB H42 189 1.969 1.888 2.950 + 2OCB H43 190 2.210 2.061 2.636 + 2OCB H44 191 2.058 2.304 2.950 + 2OCB H45 192 1.924 1.960 1.641 + 2OCB H46 193 2.287 1.781 1.751 + 2OCB H47 194 1.297 2.283 1.978 + 2OCB H48 195 1.191 2.430 2.366 + 2OCB H49 196 2.311 1.835 2.884 + 2OCB H50 197 2.595 1.738 2.590 + 2OCB H51 198 1.929 2.314 3.211 + 2OCB H52 199 1.539 2.478 3.112 + 2OCB H53 200 1.708 1.994 2.958 + 2OCB H54 201 1.565 2.068 2.894 + 2OCB H55 202 1.732 2.098 2.817 + 2OCB H56 203 1.354 1.933 2.346 + 2OCB H57 204 1.493 1.995 2.264 + 2OCB H58 205 1.454 2.043 2.434 + 2OCB H59 206 1.945 1.863 2.128 + 2OCB H60 207 1.849 1.732 2.080 + 2OCB H61 208 2.018 1.707 2.132 + 2OCB H62 209 2.053 1.719 2.512 + 2OCB H63 210 2.130 1.830 2.407 + 2OCB H64 211 2.162 1.659 2.383 + 4.02731 4.02731 4.02731 diff --git a/G2/data/plumed.dat b/G2/data/plumed.dat new file mode 100644 index 0000000000000000000000000000000000000000..22649d88f646c34ec3156fc13630f0a98ccb784d --- /dev/null +++ b/G2/data/plumed.dat @@ -0,0 +1,19 @@ +HOST: GROUP ATOMS=16-211 #host atoms +LIGC: GROUP ATOMS=1-7,9 #carbon atoms in the ligand + +WHOLEMOLECULES ENTITY0=HOST +FIT_TO_TEMPLATE STRIDE=1 REFERENCE=conf_template.pdb TYPE=OPTIMAL #coordinates alignment +lig: CENTER ATOMS=LIGC + +v1: FIXEDATOM AT=2.0136,2.0136,2.0 #virtual atoms + +cyl: DISTANCE ATOMS=v1,lig COMPONENTS +radius: MATHEVAL ARG=cyl.x,cyl.y FUNC=sqrt(x*x+y*y) PERIODIC=NO + +funnel: MATHEVAL ARG=radius,cyl.z VAR=r,z FUNC=(r+1.0*(-1.2+z))*step(-z+1.)+(r-0.2)*step(z-1.) PERIODIC=NO +UPPER_WALLS AT=0 ARG=funnel KAPPA=2000.0 LABEL=funnelwall #funnel restraint +UPPER_WALLS AT=1.8 ARG=cyl.z KAPPA=4000.0 EXP=2 LABEL=upper_wall #upper limit of cyl.z + +PRINT ARG=* STRIDE=250 FILE=COLVAR FMT=%8.4f + +ENDPLUMED diff --git a/G2/data/topol.top b/G2/data/topol.top new file mode 100644 index 0000000000000000000000000000000000000000..5db5875dfd05696e25793d3fd3ac2e1db1ae5487 --- /dev/null +++ b/G2/data/topol.top @@ -0,0 +1,2238 @@ +; +; File topolb.top was generated +; By user: rizziv (3021159) +; On host: somazzo +; At date: Mon. September 1 09:41:07 2019 +; +; This is a standalone topology file +; +; Created by: +; ParmEd: parmed_amberconv.py, VERSION 0+unknown +; Executable: parmed_amberconv.py +; Library dir: /mnt/storage/rizziv/gromacs-2018.5/installation/share/gromacs/top +; Command line: +; parmed_amberconv.py +; + +[ defaults ] +; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ +1 2 yes 0.5 0.83333333 + +[ atomtypes ] +; name at.num mass charge ptype sigma epsilon +ca 6 12.010000 0.00000000 A 0.33996695 0.359824 +cg 6 12.010000 0.00000000 A 0.33996695 0.87864001 +n1 7 14.010000 0.00000000 A 0.32499985 0.71128 +c 6 12.010000 0.00000000 A 0.33996695 0.359824 +o 8 16.000000 0.00000000 A 0.29599219 0.87864 +ha 1 1.008000 0.00000000 A 0.25996425 0.06276 +os 8 16.000000 0.00000000 A 0.30000123 0.71128 +c3 6 12.010000 0.00000000 A 0.33996695 0.4577296 +hc 1 1.008000 0.00000000 A 0.26495328 0.0656888 +h2 1 1.008000 0.00000000 A 0.22931733 0.0656888 +Na+ 11 22.990000 0.00000000 A 0.24392807 0.36584603 +OW 8 16.000000 0.00000000 A 0.31507524 0.635968 +HW 1 1.008000 0.00000000 A 0 0 + + +[ moleculetype ] +; Name nrexcl +MOL 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 MOL rtp MOL q -1.0 + 1 ca 1 MOL C1 1 -0.11718900 12.010000 ; qtot -0.117189 + 2 ca 1 MOL C2 2 -0.19455500 12.010000 ; qtot -0.311744 + 3 ca 1 MOL C3 3 -0.00878600 12.010000 ; qtot -0.320530 + 4 ca 1 MOL C4 4 -0.19455500 12.010000 ; qtot -0.515085 + 5 ca 1 MOL C5 5 -0.11718900 12.010000 ; qtot -0.632274 + 6 ca 1 MOL C6 6 0.05386100 12.010000 ; qtot -0.578413 + 7 cg 1 MOL C7 7 0.36935400 12.010000 ; qtot -0.209059 + 8 n1 1 MOL N1 8 -0.52924200 14.010000 ; qtot -0.738301 + 9 c 1 MOL C8 9 0.73131200 12.010000 ; qtot -0.006989 + 10 o 1 MOL O1 10 -0.76771300 16.000000 ; qtot -0.774702 + 11 o 1 MOL O2 11 -0.76771300 16.000000 ; qtot -1.542415 + 12 ha 1 MOL H1 12 0.12049200 1.008000 ; qtot -1.421923 + 13 ha 1 MOL H2 13 0.15071600 1.008000 ; qtot -1.271207 + 14 ha 1 MOL H3 14 0.15071600 1.008000 ; qtot -1.120491 + 15 ha 1 MOL H4 15 0.12049200 1.008000 ; qtot -0.999999 + +[ bonds ] +; ai aj funct c0 c1 c2 c3 + 9 10 1 0.12140 542246.400000 + 9 11 1 0.12140 542246.400000 + 7 8 1 0.11430 832364.960000 + 6 9 1 0.14870 292628.960000 + 5 6 1 0.13870 400325.120000 + 4 5 1 0.13870 400325.120000 + 3 4 1 0.13870 400325.120000 + 3 7 1 0.14380 340242.880000 + 2 3 1 0.13870 400325.120000 + 1 2 1 0.13870 400325.120000 + 1 6 1 0.13870 400325.120000 + 5 15 1 0.10870 288110.240000 + 4 14 1 0.10870 288110.240000 + 2 13 1 0.10870 288110.240000 + 1 12 1 0.10870 288110.240000 + +[ pairs ] +; ai aj funct c0 c1 c2 c3 + 5 7 1 + 5 10 1 + 5 11 1 + 4 8 1 + 4 9 1 + 6 3 1 + 2 5 1 + 2 9 1 + 2 8 1 + 1 4 1 + 1 7 1 + 1 10 1 + 1 11 1 + 14 15 1 + 12 13 1 + 12 9 1 + 9 15 1 + 7 13 1 + 7 14 1 + 6 13 1 + 6 14 1 + 12 5 1 + 4 13 1 + 12 3 1 + 3 15 1 + 2 14 1 + 1 15 1 + +[ angles ] +; ai aj ak funct c0 c1 c2 c3 + 10 9 11 1 130.3800556 654.126560 + 6 9 10 1 123.4400528 574.630560 + 6 9 11 1 123.4400528 574.630560 + 5 6 9 1 120.1400514 540.907520 + 4 3 7 1 120.0500517 551.451200 + 4 5 6 1 119.9700514 562.162240 + 3 4 5 1 119.9700514 562.162240 + 3 7 8 1 179.4300770 493.126240 + 2 1 6 1 119.9700514 562.162240 + 2 3 4 1 119.9700514 562.162240 + 2 3 7 1 120.0500517 551.451200 + 1 2 3 1 119.9700514 562.162240 + 1 6 5 1 119.9700514 562.162240 + 1 6 9 1 120.1400514 540.907520 + 6 1 12 1 120.0100513 405.513280 + 6 5 15 1 120.0100513 405.513280 + 5 4 14 1 120.0100513 405.513280 + 4 5 15 1 120.0100513 405.513280 + 3 2 13 1 120.0100513 405.513280 + 3 4 14 1 120.0100513 405.513280 + 2 1 12 1 120.0100513 405.513280 + 1 2 13 1 120.0100513 405.513280 + +[ dihedrals ] +; ai aj ak al funct c0 c1 c2 c3 c4 c5 + 5 4 3 7 1 180.0000771 15.1670000 2 + 5 6 9 10 1 180.0000771 4.1840000 2 + 5 6 9 11 1 180.0000771 4.1840000 2 + 4 3 7 8 1 180.0000771 0.0000000 2 + 4 5 6 9 1 180.0000771 15.1670000 2 + 6 1 2 3 1 180.0000771 15.1670000 2 + 3 4 5 6 1 180.0000771 15.1670000 2 + 2 1 6 5 1 180.0000771 15.1670000 2 + 2 1 6 9 1 180.0000771 15.1670000 2 + 2 3 4 5 1 180.0000771 15.1670000 2 + 2 3 7 8 1 180.0000771 0.0000000 2 + 1 2 3 4 1 180.0000771 15.1670000 2 + 1 2 3 7 1 180.0000771 15.1670000 2 + 1 6 5 4 1 180.0000771 15.1670000 2 + 1 6 9 10 1 180.0000771 4.1840000 2 + 1 6 9 11 1 180.0000771 4.1840000 2 + 6 10 9 11 4 180.0000771 4.6024000 2 + 9 1 6 5 4 180.0000771 4.6024000 2 + 2 4 3 7 4 180.0000771 4.6024000 2 + 14 4 5 15 1 180.0000771 15.1670000 2 + 12 1 2 13 1 180.0000771 15.1670000 2 + 12 1 6 9 1 180.0000771 15.1670000 2 + 9 6 5 15 1 180.0000771 15.1670000 2 + 7 3 2 13 1 180.0000771 15.1670000 2 + 7 3 4 14 1 180.0000771 15.1670000 2 + 6 1 2 13 1 180.0000771 15.1670000 2 + 6 5 4 14 1 180.0000771 15.1670000 2 + 12 1 6 5 1 180.0000771 15.1670000 2 + 4 3 2 13 1 180.0000771 15.1670000 2 + 12 1 2 3 1 180.0000771 15.1670000 2 + 3 4 5 15 1 180.0000771 15.1670000 2 + 2 3 4 14 1 180.0000771 15.1670000 2 + 1 6 5 15 1 180.0000771 15.1670000 2 + 4 6 5 15 4 180.0000771 4.6024000 2 + 3 5 4 14 4 180.0000771 4.6024000 2 + 1 3 2 13 4 180.0000771 4.6024000 2 + 12 1 6 2 4 180.0000771 4.6024000 2 + + +[ moleculetype ] +; Name nrexcl +OCB 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 OCB rtp OCB q -8.0 + 1 ca 1 OCB C1 1 0.00988200 12.010000 ; qtot 0.009882 + 2 ca 1 OCB C2 2 0.03533200 12.010000 ; qtot 0.045214 + 3 ca 1 OCB C3 3 -0.25553000 12.010000 ; qtot -0.210316 + 4 ca 1 OCB C4 4 0.03533200 12.010000 ; qtot -0.174984 + 5 ca 1 OCB C5 5 -0.07142500 12.010000 ; qtot -0.246409 + 6 ca 1 OCB C6 6 0.00988200 12.010000 ; qtot -0.236527 + 7 os 1 OCB O1 7 -0.26161500 16.000000 ; qtot -0.498142 + 8 c3 1 OCB C7 8 0.05441800 12.010000 ; qtot -0.443724 + 9 c3 1 OCB C8 9 0.08896100 12.010000 ; qtot -0.354763 + 10 os 1 OCB O2 10 -0.26161500 16.000000 ; qtot -0.616378 + 11 ca 1 OCB C9 11 0.03533200 12.010000 ; qtot -0.581046 + 12 ca 1 OCB C10 12 0.00988200 12.010000 ; qtot -0.571164 + 13 ca 1 OCB C11 13 -0.25553000 12.010000 ; qtot -0.826694 + 14 ca 1 OCB C12 14 -0.07142500 12.010000 ; qtot -0.898119 + 15 ca 1 OCB C13 15 0.00988200 12.010000 ; qtot -0.888237 + 16 ca 1 OCB C14 16 0.03533200 12.010000 ; qtot -0.852905 + 17 os 1 OCB O3 17 -0.26161500 16.000000 ; qtot -1.114520 + 18 c3 1 OCB C15 18 0.05441800 12.010000 ; qtot -1.060102 + 19 ca 1 OCB C16 19 0.00988200 12.010000 ; qtot -1.050220 + 20 ca 1 OCB C17 20 0.03533200 12.010000 ; qtot -1.014888 + 21 c3 1 OCB C18 21 0.08896100 12.010000 ; qtot -0.925927 + 22 os 1 OCB O4 22 -0.26161500 16.000000 ; qtot -1.187542 + 23 os 1 OCB O5 23 -0.26161500 16.000000 ; qtot -1.449157 + 24 c3 1 OCB C19 24 0.05441800 12.010000 ; qtot -1.394739 + 25 ca 1 OCB C20 25 0.00988200 12.010000 ; qtot -1.384857 + 26 os 1 OCB O6 26 -0.26161500 16.000000 ; qtot -1.646472 + 27 ca 1 OCB C21 27 0.03533200 12.010000 ; qtot -1.611140 + 28 ca 1 OCB C22 28 -0.07142500 12.010000 ; qtot -1.682565 + 29 ca 1 OCB C23 29 0.03533200 12.010000 ; qtot -1.647233 + 30 ca 1 OCB C24 30 -0.07142500 12.010000 ; qtot -1.718658 + 31 ca 1 OCB C25 31 0.03533200 12.010000 ; qtot -1.683326 + 32 os 1 OCB O7 32 -0.26161500 16.000000 ; qtot -1.944941 + 33 os 1 OCB O8 33 -0.26161500 16.000000 ; qtot -2.206556 + 34 c3 1 OCB C26 34 0.08896100 12.010000 ; qtot -2.117595 + 35 ca 1 OCB C27 35 -0.25553000 12.010000 ; qtot -2.373125 + 36 ca 1 OCB C28 36 0.00988200 12.010000 ; qtot -2.363243 + 37 ca 1 OCB C29 37 -0.25553000 12.010000 ; qtot -2.618773 + 38 c3 1 OCB C30 38 0.05441800 12.010000 ; qtot -2.564355 + 39 ca 1 OCB C31 39 0.00988200 12.010000 ; qtot -2.554473 + 40 c3 1 OCB C32 40 0.08896100 12.010000 ; qtot -2.465512 + 41 c3 1 OCB C33 41 -0.03803900 12.010000 ; qtot -2.503551 + 42 c3 1 OCB C34 42 0.03723600 12.010000 ; qtot -2.466315 + 43 c 1 OCB C35 43 0.79749100 12.010000 ; qtot -1.668824 + 44 o 1 OCB O9 44 -0.83804400 16.000000 ; qtot -2.506868 + 45 c3 1 OCB C36 45 -0.03803900 12.010000 ; qtot -2.544907 + 46 c3 1 OCB C37 46 0.03723600 12.010000 ; qtot -2.507671 + 47 c 1 OCB C38 47 0.79749100 12.010000 ; qtot -1.710180 + 48 o 1 OCB O10 48 -0.83804400 16.000000 ; qtot -2.548224 + 49 c3 1 OCB C39 49 -0.03803900 12.010000 ; qtot -2.586263 + 50 c3 1 OCB C40 50 0.03723600 12.010000 ; qtot -2.549027 + 51 c 1 OCB C41 51 0.79749100 12.010000 ; qtot -1.751536 + 52 o 1 OCB O11 52 -0.83804400 16.000000 ; qtot -2.589580 + 53 c3 1 OCB C42 53 -0.03803900 12.010000 ; qtot -2.627619 + 54 c3 1 OCB C43 54 0.03723600 12.010000 ; qtot -2.590383 + 55 c 1 OCB C44 55 0.79749100 12.010000 ; qtot -1.792892 + 56 o 1 OCB O12 56 -0.83804400 16.000000 ; qtot -2.630936 + 57 ca 1 OCB C45 57 0.00087100 12.010000 ; qtot -2.630065 + 58 ca 1 OCB C46 58 -0.20021500 12.010000 ; qtot -2.830280 + 59 ca 1 OCB C47 59 -0.11637400 12.010000 ; qtot -2.946654 + 60 ca 1 OCB C48 60 -0.11637400 12.010000 ; qtot -3.063028 + 61 ca 1 OCB C49 61 0.13737800 12.010000 ; qtot -2.925650 + 62 ca 1 OCB C50 62 0.13737800 12.010000 ; qtot -2.788272 + 63 ca 1 OCB C51 63 0.00087100 12.010000 ; qtot -2.787401 + 64 ca 1 OCB C52 64 -0.20021500 12.010000 ; qtot -2.987616 + 65 ca 1 OCB C53 65 -0.11637400 12.010000 ; qtot -3.103990 + 66 ca 1 OCB C54 66 -0.11637400 12.010000 ; qtot -3.220364 + 67 ca 1 OCB C55 67 0.13737800 12.010000 ; qtot -3.082986 + 68 ca 1 OCB C56 68 0.13737800 12.010000 ; qtot -2.945608 + 69 ca 1 OCB C57 69 0.00087100 12.010000 ; qtot -2.944737 + 70 ca 1 OCB C58 70 -0.20021500 12.010000 ; qtot -3.144952 + 71 ca 1 OCB C59 71 -0.11637400 12.010000 ; qtot -3.261326 + 72 ca 1 OCB C60 72 -0.11637400 12.010000 ; qtot -3.377700 + 73 ca 1 OCB C61 73 0.13737800 12.010000 ; qtot -3.240322 + 74 ca 1 OCB C62 74 0.13737800 12.010000 ; qtot -3.102944 + 75 ca 1 OCB C63 75 0.00087100 12.010000 ; qtot -3.102073 + 76 ca 1 OCB C64 76 -0.20021500 12.010000 ; qtot -3.302288 + 77 ca 1 OCB C65 77 -0.11637400 12.010000 ; qtot -3.418662 + 78 ca 1 OCB C66 78 -0.11637400 12.010000 ; qtot -3.535036 + 79 ca 1 OCB C67 79 0.13737800 12.010000 ; qtot -3.397658 + 80 ca 1 OCB C68 80 0.13737800 12.010000 ; qtot -3.260280 + 81 os 1 OCB O13 81 -0.26606500 16.000000 ; qtot -3.526345 + 82 os 1 OCB O14 82 -0.26606500 16.000000 ; qtot -3.792410 + 83 os 1 OCB O15 83 -0.26606500 16.000000 ; qtot -4.058475 + 84 os 1 OCB O16 84 -0.26606500 16.000000 ; qtot -4.324540 + 85 os 1 OCB O17 85 -0.26606500 16.000000 ; qtot -4.590605 + 86 os 1 OCB O18 86 -0.26606500 16.000000 ; qtot -4.856670 + 87 os 1 OCB O19 87 -0.26606500 16.000000 ; qtot -5.122735 + 88 ca 1 OCB C69 88 0.04053600 12.010000 ; qtot -5.082199 + 89 ca 1 OCB C70 89 -0.18027600 12.010000 ; qtot -5.262475 + 90 ca 1 OCB C71 90 0.07441900 12.010000 ; qtot -5.188056 + 91 ca 1 OCB C72 91 -0.18027600 12.010000 ; qtot -5.368332 + 92 ca 1 OCB C73 92 -0.06001500 12.010000 ; qtot -5.428347 + 93 ca 1 OCB C74 93 0.04053600 12.010000 ; qtot -5.387811 + 94 os 1 OCB O20 94 -0.26606500 16.000000 ; qtot -5.653876 + 95 ca 1 OCB C75 95 0.04053600 12.010000 ; qtot -5.613340 + 96 ca 1 OCB C76 96 -0.18027600 12.010000 ; qtot -5.793616 + 97 ca 1 OCB C77 97 -0.18027600 12.010000 ; qtot -5.973892 + 98 ca 1 OCB C78 98 0.07441900 12.010000 ; qtot -5.899473 + 99 ca 1 OCB C79 99 0.04053600 12.010000 ; qtot -5.858937 + 100 ca 1 OCB C80 100 -0.06001500 12.010000 ; qtot -5.918952 + 101 ca 1 OCB C81 101 0.04053600 12.010000 ; qtot -5.878416 + 102 ca 1 OCB C82 102 -0.18027600 12.010000 ; qtot -6.058692 + 103 ca 1 OCB C83 103 -0.18027600 12.010000 ; qtot -6.238968 + 104 ca 1 OCB C84 104 0.07441900 12.010000 ; qtot -6.164549 + 105 ca 1 OCB C85 105 0.04053600 12.010000 ; qtot -6.124013 + 106 ca 1 OCB C86 106 -0.06001500 12.010000 ; qtot -6.184028 + 107 c 1 OCB C87 107 0.82398600 12.010000 ; qtot -5.360042 + 108 o 1 OCB O21 108 -0.81289100 16.000000 ; qtot -6.172933 + 109 c 1 OCB C88 109 0.82398600 12.010000 ; qtot -5.348947 + 110 o 1 OCB O22 110 -0.81289100 16.000000 ; qtot -6.161838 + 111 c 1 OCB C89 111 0.82398600 12.010000 ; qtot -5.337852 + 112 o 1 OCB O23 112 -0.81289100 16.000000 ; qtot -6.150743 + 113 o 1 OCB O24 113 -0.83804400 16.000000 ; qtot -6.988787 + 114 o 1 OCB O25 114 -0.83804400 16.000000 ; qtot -7.826831 + 115 o 1 OCB O26 115 -0.83804400 16.000000 ; qtot -8.664875 + 116 c 1 OCB C90 116 0.82398600 12.010000 ; qtot -7.840889 + 117 o 1 OCB O27 117 -0.81289100 16.000000 ; qtot -8.653780 + 118 o 1 OCB O28 118 -0.81289100 16.000000 ; qtot -9.466671 + 119 o 1 OCB O29 119 -0.81289100 16.000000 ; qtot -10.279562 + 120 o 1 OCB O30 120 -0.81289100 16.000000 ; qtot -11.092453 + 121 o 1 OCB O31 121 -0.81289100 16.000000 ; qtot -11.905344 + 122 o 1 OCB O32 122 -0.83804400 16.000000 ; qtot -12.743388 + 123 ca 1 OCB C91 123 0.04053600 12.010000 ; qtot -12.702852 + 124 ca 1 OCB C92 124 -0.18027600 12.010000 ; qtot -12.883128 + 125 ca 1 OCB C93 125 0.07441900 12.010000 ; qtot -12.808709 + 126 ca 1 OCB C94 126 -0.18027600 12.010000 ; qtot -12.988985 + 127 ca 1 OCB C95 127 -0.06001500 12.010000 ; qtot -13.049000 + 128 ca 1 OCB C96 128 0.04053600 12.010000 ; qtot -13.008464 + 129 c3 1 OCB C97 129 -0.19862500 12.010000 ; qtot -13.207089 + 130 c3 1 OCB C98 130 -0.19862500 12.010000 ; qtot -13.405714 + 131 c3 1 OCB C99 131 -0.19862500 12.010000 ; qtot -13.604339 + 132 c3 1 OCB C 132 -0.19862500 12.010000 ; qtot -13.802964 + 133 ha 1 OCB H1 133 0.17301600 1.008000 ; qtot -13.629948 + 134 ha 1 OCB H2 134 0.11893200 1.008000 ; qtot -13.511016 + 135 hc 1 OCB H3 135 0.12848000 1.008000 ; qtot -13.382536 + 136 h2 1 OCB H4 136 0.14164000 1.008000 ; qtot -13.240896 + 137 ha 1 OCB H5 137 0.17301600 1.008000 ; qtot -13.067880 + 138 ha 1 OCB H6 138 0.11893200 1.008000 ; qtot -12.948948 + 139 hc 1 OCB H7 139 0.12848000 1.008000 ; qtot -12.820468 + 140 h2 1 OCB H8 140 0.14164000 1.008000 ; qtot -12.678828 + 141 hc 1 OCB H9 141 0.12848000 1.008000 ; qtot -12.550348 + 142 ha 1 OCB H10 142 0.11893200 1.008000 ; qtot -12.431416 + 143 ha 1 OCB H11 143 0.11893200 1.008000 ; qtot -12.312484 + 144 h2 1 OCB H12 144 0.14164000 1.008000 ; qtot -12.170844 + 145 ha 1 OCB H13 145 0.17301600 1.008000 ; qtot -11.997828 + 146 ha 1 OCB H14 146 0.17301600 1.008000 ; qtot -11.824812 + 147 hc 1 OCB H15 147 0.12848000 1.008000 ; qtot -11.696332 + 148 h2 1 OCB H16 148 0.14164000 1.008000 ; qtot -11.554692 + 149 hc 1 OCB H17 149 0.02268700 1.008000 ; qtot -11.532005 + 150 hc 1 OCB H18 150 0.02268700 1.008000 ; qtot -11.509318 + 151 hc 1 OCB H19 151 -0.04881300 1.008000 ; qtot -11.558131 + 152 hc 1 OCB H20 152 -0.04881300 1.008000 ; qtot -11.606944 + 153 hc 1 OCB H21 153 0.02268700 1.008000 ; qtot -11.584257 + 154 hc 1 OCB H22 154 0.02268700 1.008000 ; qtot -11.561570 + 155 hc 1 OCB H23 155 -0.04881300 1.008000 ; qtot -11.610383 + 156 hc 1 OCB H24 156 -0.04881300 1.008000 ; qtot -11.659196 + 157 hc 1 OCB H25 157 0.02268700 1.008000 ; qtot -11.636509 + 158 hc 1 OCB H26 158 0.02268700 1.008000 ; qtot -11.613822 + 159 hc 1 OCB H27 159 -0.04881300 1.008000 ; qtot -11.662635 + 160 hc 1 OCB H28 160 -0.04881300 1.008000 ; qtot -11.711448 + 161 hc 1 OCB H29 161 0.02268700 1.008000 ; qtot -11.688761 + 162 hc 1 OCB H30 162 0.02268700 1.008000 ; qtot -11.666074 + 163 hc 1 OCB H31 163 -0.04881300 1.008000 ; qtot -11.714887 + 164 hc 1 OCB H32 164 -0.04881300 1.008000 ; qtot -11.763700 + 165 ha 1 OCB H33 165 0.11516900 1.008000 ; qtot -11.648531 + 166 ha 1 OCB H34 166 0.15110700 1.008000 ; qtot -11.497424 + 167 ha 1 OCB H35 167 0.15110700 1.008000 ; qtot -11.346317 + 168 ha 1 OCB H36 168 0.11516900 1.008000 ; qtot -11.231148 + 169 ha 1 OCB H37 169 0.15110700 1.008000 ; qtot -11.080041 + 170 ha 1 OCB H38 170 0.15110700 1.008000 ; qtot -10.928934 + 171 ha 1 OCB H39 171 0.11516900 1.008000 ; qtot -10.813765 + 172 ha 1 OCB H40 172 0.15110700 1.008000 ; qtot -10.662658 + 173 ha 1 OCB H41 173 0.15110700 1.008000 ; qtot -10.511551 + 174 ha 1 OCB H42 174 0.11516900 1.008000 ; qtot -10.396382 + 175 ha 1 OCB H43 175 0.15110700 1.008000 ; qtot -10.245275 + 176 ha 1 OCB H44 176 0.15110700 1.008000 ; qtot -10.094168 + 177 ha 1 OCB H45 177 0.16312600 1.008000 ; qtot -9.931042 + 178 ha 1 OCB H46 178 0.16312600 1.008000 ; qtot -9.767916 + 179 ha 1 OCB H47 179 0.16312600 1.008000 ; qtot -9.604790 + 180 ha 1 OCB H48 180 0.16312600 1.008000 ; qtot -9.441664 + 181 ha 1 OCB H49 181 0.16312600 1.008000 ; qtot -9.278538 + 182 ha 1 OCB H50 182 0.16312600 1.008000 ; qtot -9.115412 + 183 ha 1 OCB H51 183 0.16312600 1.008000 ; qtot -8.952286 + 184 ha 1 OCB H52 184 0.16312600 1.008000 ; qtot -8.789160 + 185 hc 1 OCB H53 185 0.06576300 1.008000 ; qtot -8.723397 + 186 hc 1 OCB H54 186 0.06576300 1.008000 ; qtot -8.657634 + 187 hc 1 OCB H55 187 0.06576300 1.008000 ; qtot -8.591871 + 188 hc 1 OCB H56 188 0.06576300 1.008000 ; qtot -8.526108 + 189 hc 1 OCB H57 189 0.06576300 1.008000 ; qtot -8.460345 + 190 hc 1 OCB H58 190 0.06576300 1.008000 ; qtot -8.394582 + 191 hc 1 OCB H59 191 0.06576300 1.008000 ; qtot -8.328819 + 192 hc 1 OCB H60 192 0.06576300 1.008000 ; qtot -8.263056 + 193 hc 1 OCB H61 193 0.06576300 1.008000 ; qtot -8.197293 + 194 hc 1 OCB H62 194 0.06576300 1.008000 ; qtot -8.131530 + 195 hc 1 OCB H63 195 0.06576300 1.008000 ; qtot -8.065767 + 196 hc 1 OCB H64 196 0.06576300 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4.6024000 2 + + +[ moleculetype ] +; Name nrexcl +Na+ 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 Na+ rtp Na+ q 1.0 + 1 Na+ 1 Na+ Na+ 1 1.00000000 22.990000 ; qtot 1.000000 + + +[ moleculetype ] +; Name nrexcl +WAT 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 WAT rtp WAT q 0.0 + 1 OW 1 WAT O 1 -0.83400000 16.000000 ; qtot -0.834000 + 2 HW 1 WAT H1 2 0.41700000 1.008000 ; qtot -0.417000 + 3 HW 1 WAT H2 3 0.41700000 1.008000 ; qtot 0.000000 + +#ifdef FLEXIBLE + +[ bonds ] +; ai aj funct c0 c1 c2 c3 + 2 1 1 0.09572 462750.400000 + 3 1 1 0.09572 462750.400000 + 3 2 1 0.15136 462750.400000 + + +#else + +[ settles ] +; i funct doh dhh +1 1 0.09572000 0.15136000 + +#endif + +[ exclusions ] +1 2 3 +2 1 3 +3 1 2 + +[ system ] +; Name +Generic title + +[ molecules ] +; Compound #mols +MOL 1 +OCB 1 +Na+ 9 +WAT 2100 diff --git a/G2/data/u.gro b/G2/data/u.gro new file mode 100644 index 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1.979 1.817 + 509WAT O 1712 0.290 1.541 3.469 + 509WAT H1 1713 0.345 1.467 3.493 + 509WAT H2 1714 0.299 1.602 3.542 + 510WAT O 1715 3.351 0.288 2.275 + 510WAT H1 1716 3.268 0.242 2.262 + 510WAT H2 1717 3.417 0.219 2.277 + 511WAT O 1718 2.756 1.235 2.704 + 511WAT H1 1719 2.702 1.286 2.764 + 511WAT H2 1720 2.727 1.262 2.616 + 512WAT O 1721 2.198 2.807 3.373 + 512WAT H1 1722 2.209 2.891 3.328 + 512WAT H2 1723 2.223 2.826 3.464 + 513WAT O 1724 3.341 2.790 1.997 + 513WAT H1 1725 3.385 2.875 1.991 + 513WAT H2 1726 3.250 2.810 1.975 + 514WAT O 1727 0.714 3.519 1.780 + 514WAT H1 1728 0.649 3.482 1.839 + 514WAT H2 1729 0.673 3.598 1.745 + 515WAT O 1730 3.916 0.537 2.492 + 515WAT H1 1731 3.944 0.564 2.405 + 515WAT H2 1732 3.990 0.560 2.549 + 516WAT O 1733 2.383 3.762 2.224 + 516WAT H1 1734 2.389 3.818 2.301 + 516WAT H2 1735 2.291 3.766 2.199 + 517WAT O 1736 2.672 1.127 3.897 + 517WAT H1 1737 2.693 1.191 3.829 + 517WAT H2 1738 2.699 1.169 3.978 + 518WAT O 1739 2.352 3.337 0.382 + 518WAT H1 1740 2.436 3.291 0.388 + 518WAT H2 1741 2.356 3.383 0.299 + 519WAT O 1742 1.072 3.058 3.206 + 519WAT H1 1743 1.090 3.132 3.264 + 519WAT H2 1744 1.099 2.981 3.257 + 520WAT O 1745 3.018 3.061 0.806 + 520WAT H1 1746 2.984 3.142 0.846 + 520WAT H2 1747 2.941 3.008 0.790 + 521WAT O 1748 1.058 2.687 0.025 + 521WAT H1 1749 1.010 2.606 0.045 + 521WAT H2 1750 0.990 2.749 4.027 + 522WAT O 1751 1.686 0.438 0.621 + 522WAT H1 1752 1.643 0.478 0.546 + 522WAT H2 1753 1.615 0.409 0.678 + 523WAT O 1754 3.217 3.146 2.570 + 523WAT H1 1755 3.303 3.123 2.535 + 523WAT H2 1756 3.169 3.182 2.495 + 524WAT O 1757 2.895 1.638 2.806 + 524WAT H1 1758 2.813 1.688 2.809 + 524WAT H2 1759 2.874 1.556 2.850 + 525WAT O 1760 2.646 1.550 0.784 + 525WAT H1 1761 2.653 1.458 0.761 + 525WAT H2 1762 2.561 1.577 0.748 + 526WAT O 1763 0.059 3.420 3.853 + 526WAT H1 1764 0.020 3.494 3.807 + 526WAT H2 1765 0.121 3.460 3.913 + 527WAT O 1766 1.650 3.655 3.752 + 527WAT H1 1767 1.565 3.649 3.709 + 527WAT H2 1768 1.645 3.593 3.824 + 528WAT O 1769 0.991 3.732 2.820 + 528WAT H1 1770 1.019 3.666 2.757 + 528WAT H2 1771 1.029 3.813 2.787 + 529WAT O 1772 0.771 0.028 0.100 + 529WAT H1 1773 0.815 0.089 0.040 + 529WAT H2 1774 0.758 3.976 0.048 + 530WAT O 1775 3.605 2.571 1.517 + 530WAT H1 1776 3.652 2.488 1.515 + 530WAT H2 1777 3.513 2.545 1.522 + 531WAT O 1778 3.178 0.757 2.262 + 531WAT H1 1779 3.137 0.780 2.345 + 531WAT H2 1780 3.165 0.662 2.255 + 532WAT O 1781 1.413 2.788 2.931 + 532WAT H1 1782 1.364 2.714 2.896 + 532WAT H2 1783 1.503 2.773 2.903 + 533WAT O 1784 3.789 3.841 2.547 + 533WAT H1 1785 3.708 3.891 2.556 + 533WAT H2 1786 3.838 3.887 2.479 + 534WAT O 1787 0.111 3.207 2.574 + 534WAT H1 1788 0.123 3.135 2.636 + 534WAT H2 1789 0.077 3.165 2.495 + 535WAT O 1790 3.339 2.464 4.010 + 535WAT H1 1791 3.380 2.378 4.020 + 535WAT H2 1792 3.254 2.455 0.027 + 536WAT O 1793 1.715 2.681 1.766 + 536WAT H1 1794 1.694 2.601 1.718 + 536WAT H2 1795 1.790 2.718 1.718 + 537WAT O 1796 0.271 0.382 1.963 + 537WAT H1 1797 0.230 0.300 1.935 + 537WAT H2 1798 0.357 0.356 1.994 + 538WAT O 1799 0.594 2.463 3.270 + 538WAT H1 1800 0.592 2.372 3.300 + 538WAT H2 1801 0.607 2.456 3.176 + 539WAT O 1802 0.787 1.988 1.909 + 539WAT H1 1803 0.882 1.989 1.894 + 539WAT H2 1804 0.767 1.898 1.933 + 540WAT O 1805 3.714 3.552 0.999 + 540WAT H1 1806 3.736 3.486 1.064 + 540WAT H2 1807 3.790 3.555 0.941 + 541WAT O 1808 3.407 1.698 2.138 + 541WAT H1 1809 3.321 1.668 2.166 + 541WAT H2 1810 3.467 1.664 2.205 + 542WAT O 1811 0.135 0.948 0.048 + 542WAT H1 1812 0.200 1.017 0.054 + 542WAT H2 1813 0.117 0.922 0.138 + 543WAT O 1814 2.142 3.703 3.296 + 543WAT H1 1815 2.052 3.729 3.316 + 543WAT H2 1816 2.142 3.687 3.201 + 544WAT O 1817 1.594 2.009 0.955 + 544WAT H1 1818 1.617 2.102 0.957 + 544WAT H2 1819 1.514 2.005 0.902 + 545WAT O 1820 3.813 1.663 3.494 + 545WAT H1 1821 3.887 1.722 3.510 + 545WAT H2 1822 3.779 1.642 3.581 + 546WAT O 1823 2.862 0.955 3.625 + 546WAT H1 1824 2.808 1.009 3.567 + 546WAT H2 1825 2.947 0.999 3.626 + 547WAT O 1826 2.946 3.374 2.100 + 547WAT H1 1827 2.926 3.283 2.123 + 547WAT H2 1828 2.914 3.425 2.175 + 548WAT O 1829 3.220 1.946 0.226 + 548WAT H1 1830 3.139 1.914 0.265 + 548WAT H2 1831 3.232 2.034 0.262 + 549WAT O 1832 0.740 3.772 4.000 + 549WAT H1 1833 0.695 3.688 4.011 + 549WAT H2 1834 0.778 3.767 3.913 + 550WAT O 1835 1.274 3.769 3.060 + 550WAT H1 1836 1.334 3.694 3.062 + 550WAT H2 1837 1.188 3.733 3.081 + 551WAT O 1838 0.684 2.155 0.506 + 551WAT H1 1839 0.647 2.240 0.526 + 551WAT H2 1840 0.718 2.122 0.589 + 552WAT O 1841 3.033 2.270 3.304 + 552WAT H1 1842 2.956 2.213 3.307 + 552WAT H2 1843 3.092 2.234 3.370 + 553WAT O 1844 3.289 3.568 1.415 + 553WAT H1 1845 3.345 3.512 1.468 + 553WAT H2 1846 3.324 3.560 1.326 + 554WAT O 1847 3.221 1.494 2.700 + 554WAT H1 1848 3.260 1.436 2.634 + 554WAT H2 1849 3.128 1.470 2.701 + 555WAT O 1850 3.037 1.400 1.132 + 555WAT H1 1851 2.973 1.390 1.062 + 555WAT H2 1852 3.030 1.492 1.157 + 556WAT O 1853 2.290 0.415 3.607 + 556WAT H1 1854 2.289 0.324 3.577 + 556WAT H2 1855 2.369 0.422 3.660 + 557WAT O 1856 2.233 3.054 3.303 + 557WAT H1 1857 2.168 3.116 3.272 + 557WAT H2 1858 2.293 3.105 3.357 + 558WAT O 1859 1.878 0.086 2.362 + 558WAT H1 1860 1.947 0.025 2.391 + 558WAT H2 1861 1.901 0.169 2.404 + 559WAT O 1862 1.505 2.897 1.251 + 559WAT H1 1863 1.464 2.866 1.331 + 559WAT H2 1864 1.482 2.990 1.247 + 560WAT O 1865 4.026 1.789 2.109 + 560WAT H1 1866 0.029 1.799 2.019 + 560WAT H2 1867 3.937 1.756 2.100 + 561WAT O 1868 1.430 2.256 0.106 + 561WAT H1 1869 1.464 2.169 0.123 + 561WAT H2 1870 1.497 2.300 0.054 + 562WAT O 1871 1.669 3.492 0.824 + 562WAT H1 1872 1.656 3.544 0.745 + 562WAT H2 1873 1.617 3.536 0.891 + 563WAT O 1874 3.726 2.852 0.261 + 563WAT H1 1875 3.684 2.876 0.178 + 563WAT H2 1876 3.681 2.906 0.326 + 564WAT O 1877 0.845 3.529 0.168 + 564WAT H1 1878 0.920 3.581 0.138 + 564WAT H2 1879 0.827 3.468 0.097 + 565WAT O 1880 0.222 2.074 1.948 + 565WAT H1 1881 0.264 2.090 1.863 + 565WAT H2 1882 0.230 2.157 1.994 + 566WAT O 1883 4.007 0.608 3.325 + 566WAT H1 1884 0.037 0.568 3.259 + 566WAT H2 1885 3.921 0.609 3.284 + 567WAT O 1886 3.995 3.831 1.426 + 567WAT H1 1887 4.022 3.747 1.464 + 567WAT H2 1888 3.951 3.807 1.344 + 568WAT O 1889 0.635 3.420 0.772 + 568WAT H1 1890 0.687 3.414 0.852 + 568WAT H2 1891 0.556 3.370 0.791 + 569WAT O 1892 3.926 1.793 1.039 + 569WAT H1 1893 3.884 1.714 1.073 + 569WAT H2 1894 3.990 1.760 0.976 + 570WAT O 1895 3.450 1.225 1.442 + 570WAT H1 1896 3.519 1.281 1.477 + 570WAT H2 1897 3.488 1.187 1.363 + 571WAT O 1898 0.408 0.062 2.573 + 571WAT H1 1899 0.375 0.131 2.516 + 571WAT H2 1900 0.503 0.060 2.556 + 572WAT O 1901 3.076 3.622 1.781 + 572WAT H1 1902 3.078 3.701 1.727 + 572WAT H2 1903 2.989 3.624 1.821 + 573WAT O 1904 3.760 2.299 0.230 + 573WAT H1 1905 3.699 2.288 0.157 + 573WAT H2 1906 3.706 2.332 0.301 + 574WAT O 1907 2.987 3.501 2.562 + 574WAT H1 1908 3.053 3.569 2.550 + 574WAT H2 1909 2.941 3.527 2.641 + 575WAT O 1910 2.025 1.193 4.005 + 575WAT H1 1911 1.981 1.109 3.990 + 575WAT H2 1912 1.964 1.241 0.034 + 576WAT O 1913 2.699 1.911 0.050 + 576WAT H1 1914 2.703 1.954 0.136 + 576WAT H2 1915 2.709 1.818 0.069 + 577WAT O 1916 3.952 4.022 4.022 + 577WAT H1 1917 3.957 3.968 3.943 + 577WAT H2 1918 3.981 3.964 0.065 + 578WAT O 1919 2.684 0.003 0.510 + 578WAT H1 1920 2.640 3.945 0.515 + 578WAT H2 1921 2.624 0.063 0.556 + 579WAT O 1922 1.962 3.659 0.452 + 579WAT H1 1923 1.965 3.594 0.522 + 579WAT H2 1924 1.958 3.606 0.372 + 580WAT O 1925 1.396 0.757 0.573 + 580WAT H1 1926 1.446 0.700 0.516 + 580WAT H2 1927 1.454 0.774 0.647 + 581WAT O 1928 0.331 0.485 0.619 + 581WAT H1 1929 0.255 0.536 0.646 + 581WAT H2 1930 0.334 0.412 0.681 + 582WAT O 1931 0.076 0.631 3.825 + 582WAT H1 1932 0.081 0.630 3.729 + 582WAT H2 1933 4.015 0.600 3.844 + 583WAT O 1934 0.786 2.212 3.951 + 583WAT H1 1935 0.766 2.162 0.002 + 583WAT H2 1936 0.836 2.151 3.896 + 584WAT O 1937 0.086 0.606 0.604 + 584WAT H1 1938 0.024 0.569 0.541 + 584WAT H2 1939 0.039 0.603 0.687 + 585WAT O 1940 0.847 1.610 3.994 + 585WAT H1 1941 0.897 1.638 3.918 + 585WAT H2 1942 0.755 1.613 3.965 + 586WAT O 1943 2.533 0.893 2.624 + 586WAT H1 1944 2.488 0.932 2.699 + 586WAT H2 1945 2.614 0.857 2.661 + 587WAT O 1946 2.574 1.143 1.970 + 587WAT H1 1947 2.604 1.151 2.061 + 587WAT H2 1948 2.482 1.171 1.973 + 588WAT O 1949 0.245 1.863 2.216 + 588WAT H1 1950 0.156 1.852 2.183 + 588WAT H2 1951 0.301 1.832 2.144 + 589WAT O 1952 0.774 1.709 1.860 + 589WAT H1 1953 0.868 1.705 1.880 + 589WAT H2 1954 0.736 1.636 1.907 + 590WAT O 1955 1.229 3.283 0.008 + 590WAT H1 1956 1.165 3.352 4.017 + 590WAT H2 1957 1.224 3.269 0.102 + 591WAT O 1958 2.094 0.554 0.923 + 591WAT H1 1959 2.063 0.643 0.905 + 591WAT H2 1960 2.015 0.501 0.925 + 592WAT O 1961 3.021 3.647 2.818 + 592WAT H1 1962 3.054 3.737 2.814 + 592WAT H2 1963 3.053 3.613 2.902 + 593WAT O 1964 2.892 0.802 2.009 + 593WAT H1 1965 2.904 0.707 2.004 + 593WAT H2 1966 2.851 0.826 1.926 + 594WAT O 1967 2.275 0.899 1.991 + 594WAT H1 1968 2.254 0.987 1.959 + 594WAT H2 1969 2.269 0.843 1.913 + 595WAT O 1970 1.596 1.085 2.911 + 595WAT H1 1971 1.558 1.125 2.990 + 595WAT H2 1972 1.686 1.117 2.911 + 596WAT O 1973 2.579 3.624 1.580 + 596WAT H1 1974 2.624 3.580 1.652 + 596WAT H2 1975 2.578 3.560 1.509 + 597WAT O 1976 3.041 1.883 1.527 + 597WAT H1 1977 2.956 1.842 1.539 + 597WAT H2 1978 3.081 1.881 1.614 + 598WAT O 1979 3.425 2.981 0.606 + 598WAT H1 1980 3.515 2.985 0.573 + 598WAT H2 1981 3.434 2.944 0.694 + 599WAT O 1982 3.226 0.955 3.014 + 599WAT H1 1983 3.211 0.897 3.088 + 599WAT H2 1984 3.313 0.932 2.982 + 600WAT O 1985 0.135 0.572 0.074 + 600WAT H1 1986 0.099 0.592 4.016 + 600WAT H2 1987 0.220 0.531 0.056 + 601WAT O 1988 0.504 1.768 2.657 + 601WAT H1 1989 0.501 1.756 2.562 + 601WAT H2 1990 0.412 1.773 2.684 + 602WAT O 1991 1.890 0.553 2.157 + 602WAT H1 1992 1.969 0.539 2.210 + 602WAT H2 1993 1.872 0.646 2.166 + 603WAT O 1994 3.344 0.976 3.715 + 603WAT H1 1995 3.377 0.908 3.656 + 603WAT H2 1996 3.249 0.972 3.704 + 604WAT O 1997 1.293 2.566 2.863 + 604WAT H1 1998 1.240 2.539 2.788 + 604WAT H2 1999 1.316 2.483 2.906 + 605WAT O 2000 3.863 0.551 3.908 + 605WAT H1 2001 3.809 0.526 3.984 + 605WAT H2 2002 3.844 0.483 3.843 + 606WAT O 2003 3.891 3.017 2.925 + 606WAT H1 2004 3.886 3.051 3.014 + 606WAT H2 2005 3.804 2.982 2.907 + 607WAT O 2006 3.145 2.623 3.866 + 607WAT H1 2007 3.232 2.583 3.872 + 607WAT H2 2008 3.086 2.556 3.900 + 608WAT O 2009 0.441 1.577 1.580 + 608WAT H1 2010 0.404 1.567 1.492 + 608WAT H2 2011 0.488 1.495 1.596 + 609WAT O 2012 0.149 2.580 0.160 + 609WAT H1 2013 0.076 2.557 0.217 + 609WAT H2 2014 0.215 2.513 0.177 + 610WAT O 2015 1.213 3.516 2.105 + 610WAT H1 2016 1.287 3.455 2.109 + 610WAT H2 2017 1.146 3.475 2.160 + 611WAT O 2018 2.606 2.913 3.851 + 611WAT H1 2019 2.629 2.831 3.808 + 611WAT H2 2020 2.555 2.886 3.927 + 612WAT O 2021 0.556 2.116 3.614 + 612WAT H1 2022 0.552 2.181 3.684 + 612WAT H2 2023 0.466 2.084 3.606 + 613WAT O 2024 3.464 0.112 3.448 + 613WAT H1 2025 3.453 0.136 3.356 + 613WAT H2 2026 3.392 0.051 3.465 + 614WAT O 2027 0.917 0.453 0.144 + 614WAT H1 2028 0.851 0.480 0.080 + 614WAT H2 2029 0.970 0.388 0.097 + 615WAT O 2030 2.301 0.465 0.756 + 615WAT H1 2031 2.284 0.374 0.735 + 615WAT H2 2032 2.235 0.488 0.822 + 616WAT O 2033 3.154 3.912 0.943 + 616WAT H1 2034 3.193 3.999 0.957 + 616WAT H2 2035 3.185 3.860 1.017 + 617WAT O 2036 2.722 2.360 0.429 + 617WAT H1 2037 2.699 2.288 0.488 + 617WAT H2 2038 2.648 2.420 0.434 + 618WAT O 2039 1.858 0.713 1.165 + 618WAT H1 2040 1.894 0.669 1.242 + 618WAT H2 2041 1.923 0.779 1.142 + 619WAT O 2042 0.251 3.984 3.330 + 619WAT H1 2043 0.182 3.920 3.310 + 619WAT H2 2044 0.312 3.977 3.257 + 620WAT O 2045 0.226 1.230 0.463 + 620WAT H1 2046 0.140 1.223 0.420 + 620WAT H2 2047 0.214 1.300 0.528 + 621WAT O 2048 1.134 3.841 1.136 + 621WAT H1 2049 1.181 3.871 1.059 + 621WAT H2 2050 1.073 3.775 1.104 + 622WAT O 2051 2.206 0.099 2.568 + 622WAT H1 2052 2.141 0.029 2.573 + 622WAT H2 2053 2.155 0.180 2.574 + 623WAT O 2054 1.304 3.031 3.483 + 623WAT H1 2055 1.347 2.968 3.426 + 623WAT H2 2056 1.325 3.002 3.572 + 624WAT O 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2.883 0.398 + 1801WAT H1 5589 1.327 2.958 0.422 + 1801WAT H2 5590 1.269 2.885 0.303 + 1802WAT O 5591 3.667 2.545 0.413 + 1802WAT H1 5592 3.593 2.606 0.425 + 1802WAT H2 5593 3.716 2.550 0.495 + 1803WAT O 5594 1.429 3.331 2.074 + 1803WAT H1 5595 1.418 3.271 2.148 + 1803WAT H2 5596 1.477 3.405 2.111 + 1804WAT O 5597 0.635 2.362 3.792 + 1804WAT H1 5598 0.678 2.295 3.845 + 1804WAT H2 5599 0.692 2.373 3.716 + 1805WAT O 5600 3.435 0.527 1.864 + 1805WAT H1 5601 3.371 0.529 1.793 + 1805WAT H2 5602 3.402 0.590 1.928 + 1806WAT O 5603 1.114 0.515 1.505 + 1806WAT H1 5604 1.199 0.480 1.478 + 1806WAT H2 5605 1.091 0.465 1.583 + 1807WAT O 5606 1.589 1.359 2.688 + 1807WAT H1 5607 1.625 1.442 2.717 + 1807WAT H2 5608 1.631 1.294 2.744 + 1808WAT O 5609 3.043 2.202 0.738 + 1808WAT H1 5610 2.979 2.137 0.768 + 1808WAT H2 5611 3.065 2.252 0.816 + 1809WAT O 5612 0.530 1.072 1.906 + 1809WAT H1 5613 0.520 1.055 2.000 + 1809WAT H2 5614 0.570 0.993 1.871 + 1810WAT O 5615 0.201 2.325 0.711 + 1810WAT H1 5616 0.147 2.377 0.772 + 1810WAT H2 5617 0.285 2.371 0.708 + 1811WAT O 5618 3.828 3.052 0.829 + 1811WAT H1 5619 3.763 2.984 0.812 + 1811WAT H2 5620 3.815 3.076 0.921 + 1812WAT O 5621 2.027 2.368 0.488 + 1812WAT H1 5622 2.066 2.358 0.575 + 1812WAT H2 5623 1.961 2.299 0.482 + 1813WAT O 5624 0.767 3.523 2.550 + 1813WAT H1 5625 0.839 3.493 2.605 + 1813WAT H2 5626 0.712 3.446 2.536 + 1814WAT O 5627 0.343 1.706 0.958 + 1814WAT H1 5628 0.258 1.669 0.980 + 1814WAT H2 5629 0.399 1.630 0.943 + 1815WAT O 5630 2.252 2.372 3.230 + 1815WAT H1 5631 2.205 2.455 3.219 + 1815WAT H2 5632 2.291 2.355 3.144 + 1816WAT O 5633 3.331 1.029 2.700 + 1816WAT H1 5634 3.245 0.988 2.706 + 1816WAT H2 5635 3.381 0.970 2.643 + 1817WAT O 5636 2.843 2.664 1.641 + 1817WAT H1 5637 2.784 2.654 1.715 + 1817WAT H2 5638 2.890 2.581 1.636 + 1818WAT O 5639 2.080 0.779 3.584 + 1818WAT H1 5640 2.073 0.687 3.559 + 1818WAT H2 5641 2.173 0.799 3.578 + 1819WAT O 5642 3.966 0.414 0.320 + 1819WAT H1 5643 3.894 0.397 0.259 + 1819WAT H2 5644 3.929 0.395 0.407 + 1820WAT O 5645 2.624 1.593 3.507 + 1820WAT H1 5646 2.611 1.595 3.412 + 1820WAT H2 5647 2.537 1.579 3.544 + 1821WAT O 5648 1.383 2.243 1.207 + 1821WAT H1 5649 1.364 2.152 1.229 + 1821WAT H2 5650 1.454 2.268 1.266 + 1822WAT O 5651 0.286 0.406 1.609 + 1822WAT H1 5652 0.330 0.353 1.674 + 1822WAT H2 5653 0.310 0.367 1.525 + 1823WAT O 5654 2.176 2.125 0.631 + 1823WAT H1 5655 2.229 2.068 0.688 + 1823WAT H2 5656 2.157 2.201 0.686 + 1824WAT O 5657 0.758 0.929 1.049 + 1824WAT H1 5658 0.669 0.954 1.075 + 1824WAT H2 5659 0.814 0.963 1.119 + 1825WAT O 5660 0.914 2.832 2.934 + 1825WAT H1 5661 0.882 2.873 3.015 + 1825WAT H2 5662 0.914 2.738 2.954 + 1826WAT O 5663 1.339 0.112 0.117 + 1826WAT H1 5664 1.388 0.156 0.186 + 1826WAT H2 5665 1.377 0.144 0.035 + 1827WAT O 5666 0.896 1.215 0.182 + 1827WAT H1 5667 0.841 1.290 0.162 + 1827WAT H2 5668 0.921 1.226 0.274 + 1828WAT O 5669 2.526 0.908 3.062 + 1828WAT H1 5670 2.490 0.922 2.975 + 1828WAT H2 5671 2.565 0.820 3.057 + 1829WAT O 5672 3.517 0.363 3.233 + 1829WAT H1 5673 3.465 0.284 3.218 + 1829WAT H2 5674 3.584 0.360 3.164 + 1830WAT O 5675 3.654 3.533 3.671 + 1830WAT H1 5676 3.613 3.478 3.604 + 1830WAT H2 5677 3.585 3.546 3.737 + 1831WAT O 5678 2.453 0.722 2.411 + 1831WAT H1 5679 2.505 0.647 2.384 + 1831WAT H2 5680 2.506 0.765 2.478 + 1832WAT O 5681 3.407 3.541 1.138 + 1832WAT H1 5682 3.442 3.627 1.117 + 1832WAT H2 5683 3.316 3.543 1.107 + 1833WAT O 5684 3.555 2.377 2.897 + 1833WAT H1 5685 3.479 2.411 2.850 + 1833WAT H2 5686 3.625 2.441 2.879 + 1834WAT O 5687 1.214 2.737 1.518 + 1834WAT H1 5688 1.198 2.697 1.604 + 1834WAT H2 5689 1.133 2.783 1.497 + 1835WAT O 5690 3.433 2.745 0.179 + 1835WAT H1 5691 3.472 2.663 0.148 + 1835WAT H2 5692 3.355 2.718 0.226 + 1836WAT O 5693 2.785 0.746 3.313 + 1836WAT H1 5694 2.726 0.820 3.295 + 1836WAT H2 5695 2.866 0.786 3.344 + 1837WAT O 5696 1.355 3.569 0.207 + 1837WAT H1 5697 1.261 3.588 0.198 + 1837WAT H2 5698 1.390 3.644 0.254 + 1838WAT O 5699 1.290 1.037 0.228 + 1838WAT H1 5700 1.197 1.039 0.206 + 1838WAT H2 5701 1.316 0.946 0.213 + 1839WAT O 5702 2.902 0.174 0.520 + 1839WAT H1 5703 2.832 0.110 0.509 + 1839WAT H2 5704 2.862 0.258 0.499 + 1840WAT O 5705 1.927 2.770 1.027 + 1840WAT H1 5706 1.844 2.808 1.058 + 1840WAT H2 5707 1.988 2.843 1.029 + 1841WAT O 5708 2.707 0.553 3.556 + 1841WAT H1 5709 2.798 0.524 3.555 + 1841WAT H2 5710 2.662 0.485 3.606 + 1842WAT O 5711 2.693 1.112 0.491 + 1842WAT H1 5712 2.681 1.018 0.502 + 1842WAT H2 5713 2.605 1.149 0.495 + 1843WAT O 5714 3.877 0.173 1.794 + 1843WAT H1 5715 3.912 0.122 1.721 + 1843WAT H2 5716 3.879 0.264 1.764 + 1844WAT O 5717 0.109 1.249 2.977 + 1844WAT H1 5718 0.133 1.236 3.069 + 1844WAT H2 5719 0.168 1.192 2.928 + 1845WAT O 5720 1.498 1.580 0.917 + 1845WAT H1 5721 1.441 1.645 0.958 + 1845WAT H2 5722 1.446 1.545 0.844 + 1846WAT O 5723 2.736 2.023 1.088 + 1846WAT H1 5724 2.643 2.017 1.068 + 1846WAT H2 5725 2.758 1.938 1.127 + 1847WAT O 5726 3.612 3.858 2.160 + 1847WAT H1 5727 3.568 3.790 2.212 + 1847WAT H2 5728 3.576 3.847 2.072 + 1848WAT O 5729 2.693 3.515 1.780 + 1848WAT H1 5730 2.731 3.552 1.859 + 1848WAT H2 5731 2.687 3.421 1.797 + 1849WAT O 5732 1.762 1.590 1.815 + 1849WAT H1 5733 1.783 1.681 1.835 + 1849WAT H2 5734 1.681 1.595 1.763 + 1850WAT O 5735 2.851 2.634 2.911 + 1850WAT H1 5736 2.900 2.583 2.847 + 1850WAT H2 5737 2.812 2.569 2.969 + 1851WAT O 5738 3.675 3.984 1.661 + 1851WAT H1 5739 3.769 3.992 1.679 + 1851WAT H2 5740 3.665 3.896 1.624 + 1852WAT O 5741 0.643 0.961 3.964 + 1852WAT H1 5742 0.634 1.055 3.947 + 1852WAT H2 5743 0.586 0.920 3.898 + 1853WAT O 5744 1.100 3.320 3.324 + 1853WAT H1 5745 1.091 3.386 3.393 + 1853WAT H2 5746 1.033 3.344 3.260 + 1854WAT O 5747 0.245 1.125 2.545 + 1854WAT H1 5748 0.312 1.141 2.611 + 1854WAT H2 5749 0.162 1.128 2.593 + 1855WAT O 5750 2.475 2.475 0.508 + 1855WAT H1 5751 2.474 2.482 0.604 + 1855WAT H2 5752 2.411 2.406 0.488 + 1856WAT O 5753 2.762 1.692 2.222 + 1856WAT H1 5754 2.706 1.658 2.293 + 1856WAT H2 5755 2.707 1.758 2.179 + 1857WAT O 5756 1.086 0.311 3.404 + 1857WAT H1 5757 1.038 0.229 3.394 + 1857WAT H2 5758 1.042 0.356 3.477 + 1858WAT O 5759 0.036 2.592 3.093 + 1858WAT H1 5760 3.995 2.651 3.125 + 1858WAT H2 5761 0.030 2.515 3.149 + 1859WAT O 5762 1.536 0.611 0.913 + 1859WAT H1 5763 1.455 0.644 0.953 + 1859WAT H2 5764 1.583 0.689 0.886 + 1860WAT O 5765 0.511 3.389 3.448 + 1860WAT H1 5766 0.500 3.307 3.495 + 1860WAT H2 5767 0.513 3.364 3.356 + 1861WAT O 5768 0.881 3.156 1.187 + 1861WAT H1 5769 0.793 3.191 1.203 + 1861WAT H2 5770 0.936 3.233 1.172 + 1862WAT O 5771 0.665 3.271 2.529 + 1862WAT H1 5772 0.695 3.180 2.524 + 1862WAT H2 5773 0.582 3.267 2.577 + 1863WAT O 5774 2.103 3.277 3.192 + 1863WAT H1 5775 2.141 3.295 3.106 + 1863WAT H2 5776 2.013 3.253 3.174 + 1864WAT O 5777 0.222 1.740 3.648 + 1864WAT H1 5778 0.165 1.720 3.722 + 1864WAT H2 5779 0.164 1.784 3.585 + 1865WAT O 5780 4.008 0.743 0.279 + 1865WAT H1 5781 0.058 0.770 0.329 + 1865WAT H2 5782 0.011 0.672 0.223 + 1866WAT O 5783 0.264 2.382 3.927 + 1866WAT H1 5784 0.193 2.407 3.987 + 1866WAT H2 5785 0.272 2.457 3.868 + 1867WAT O 5786 0.753 3.594 0.435 + 1867WAT H1 5787 0.721 3.505 0.451 + 1867WAT H2 5788 0.767 3.598 0.341 + 1868WAT O 5789 2.878 2.057 1.948 + 1868WAT H1 5790 2.802 2.114 1.961 + 1868WAT H2 5791 2.933 2.072 2.026 + 1869WAT O 5792 3.562 3.020 2.177 + 1869WAT H1 5793 3.627 3.090 2.178 + 1869WAT H2 5794 3.509 3.037 2.100 + 1870WAT O 5795 1.168 2.675 2.432 + 1870WAT H1 5796 1.214 2.755 2.407 + 1870WAT H2 5797 1.150 2.631 2.350 + 1871WAT O 5798 1.825 1.983 0.804 + 1871WAT H1 5799 1.743 1.959 0.847 + 1871WAT H2 5800 1.833 2.077 0.820 + 1872WAT O 5801 0.498 3.758 2.909 + 1872WAT H1 5802 0.480 3.786 2.999 + 1872WAT H2 5803 0.564 3.819 2.878 + 1873WAT O 5804 1.583 3.061 2.406 + 1873WAT H1 5805 1.651 3.127 2.417 + 1873WAT H2 5806 1.581 3.014 2.490 + 1874WAT O 5807 3.029 0.508 1.502 + 1874WAT H1 5808 2.946 0.461 1.511 + 1874WAT H2 5809 3.021 0.553 1.418 + 1875WAT O 5810 1.996 3.206 0.028 + 1875WAT H1 5811 2.022 3.267 3.986 + 1875WAT H2 5812 1.938 3.143 4.012 + 1876WAT O 5813 1.878 2.259 0.904 + 1876WAT H1 5814 1.795 2.304 0.915 + 1876WAT H2 5815 1.900 2.226 0.991 + 1877WAT O 5816 2.722 2.997 1.937 + 1877WAT H1 5817 2.739 2.908 1.970 + 1877WAT H2 5818 2.764 3.054 2.000 + 1878WAT O 5819 1.240 1.911 3.797 + 1878WAT H1 5820 1.275 1.998 3.781 + 1878WAT H2 5821 1.170 1.901 3.732 + 1879WAT O 5822 2.077 3.347 0.939 + 1879WAT H1 5823 2.168 3.376 0.938 + 1879WAT H2 5824 2.075 3.270 0.882 + 1880WAT O 5825 0.589 3.166 3.538 + 1880WAT H1 5826 0.646 3.096 3.504 + 1880WAT H2 5827 0.648 3.239 3.555 + 1881WAT O 5828 0.882 2.544 1.866 + 1881WAT H1 5829 0.902 2.597 1.788 + 1881WAT H2 5830 0.941 2.577 1.933 + 1882WAT O 5831 2.184 1.670 3.411 + 1882WAT H1 5832 2.125 1.607 3.369 + 1882WAT H2 5833 2.251 1.616 3.453 + 1883WAT O 5834 0.689 1.492 1.998 + 1883WAT H1 5835 0.718 1.401 1.988 + 1883WAT H2 5836 0.610 1.486 2.052 + 1884WAT O 5837 3.954 2.043 0.500 + 1884WAT H1 5838 3.860 2.059 0.506 + 1884WAT H2 5839 3.991 2.126 0.469 + 1885WAT O 5840 0.346 2.156 1.697 + 1885WAT H1 5841 0.380 2.093 1.634 + 1885WAT H2 5842 0.269 2.193 1.655 + 1886WAT O 5843 1.495 3.246 3.951 + 1886WAT H1 5844 1.516 3.339 3.961 + 1886WAT H2 5845 1.404 3.239 3.981 + 1887WAT O 5846 0.222 1.390 2.012 + 1887WAT H1 5847 0.192 1.299 2.011 + 1887WAT H2 5848 0.286 1.396 1.941 + 1888WAT O 5849 2.781 1.196 1.768 + 1888WAT H1 5850 2.764 1.224 1.678 + 1888WAT H2 5851 2.698 1.212 1.813 + 1889WAT O 5852 2.111 3.227 0.458 + 1889WAT H1 5853 2.205 3.244 0.456 + 1889WAT H2 5854 2.078 3.272 0.380 + 1890WAT O 5855 0.030 1.792 0.728 + 1890WAT H1 5856 3.984 1.849 0.704 + 1890WAT H2 5857 0.107 1.849 0.722 + 1891WAT O 5858 1.788 1.455 0.325 + 1891WAT H1 5859 1.752 1.399 0.394 + 1891WAT H2 5860 1.754 1.542 0.344 + 1892WAT O 5861 0.886 0.925 2.365 + 1892WAT H1 5862 0.944 0.859 2.325 + 1892WAT H2 5863 0.941 0.967 2.431 + 1893WAT O 5864 3.824 3.442 1.537 + 1893WAT H1 5865 3.826 3.353 1.501 + 1893WAT H2 5866 3.732 3.458 1.557 + 1894WAT O 5867 2.201 2.614 0.330 + 1894WAT H1 5868 2.107 2.599 0.339 + 1894WAT H2 5869 2.233 2.622 0.420 + 1895WAT O 5870 0.117 0.776 1.590 + 1895WAT H1 5871 0.191 0.799 1.646 + 1895WAT H2 5872 0.069 0.710 1.639 + 1896WAT O 5873 1.446 3.811 2.207 + 1896WAT H1 5874 1.388 3.827 2.133 + 1896WAT H2 5875 1.435 3.888 2.263 + 1897WAT O 5876 3.957 0.671 1.105 + 1897WAT H1 5877 3.929 0.738 1.168 + 1897WAT H2 5878 3.932 0.588 1.145 + 1898WAT O 5879 2.369 3.051 2.510 + 1898WAT H1 5880 2.277 3.076 2.499 + 1898WAT H2 5881 2.384 3.054 2.604 + 1899WAT O 5882 1.231 0.911 1.598 + 1899WAT H1 5883 1.275 0.831 1.628 + 1899WAT H2 5884 1.302 0.973 1.585 + 1900WAT O 5885 1.647 0.790 2.955 + 1900WAT H1 5886 1.613 0.876 2.930 + 1900WAT H2 5887 1.580 0.752 3.011 + 1901WAT O 5888 2.502 2.565 0.778 + 1901WAT H1 5889 2.554 2.570 0.858 + 1901WAT H2 5890 2.541 2.629 0.720 + 1902WAT O 5891 0.414 3.368 0.167 + 1902WAT H1 5892 0.399 3.460 0.148 + 1902WAT H2 5893 0.327 3.330 0.176 + 1903WAT O 5894 3.033 0.132 2.881 + 1903WAT H1 5895 3.030 0.057 2.822 + 1903WAT H2 5896 3.019 0.208 2.824 + 1904WAT O 5897 1.490 2.688 3.510 + 1904WAT H1 5898 1.552 2.730 3.570 + 1904WAT H2 5899 1.545 2.654 3.439 + 1905WAT O 5900 3.755 0.464 0.148 + 1905WAT H1 5901 3.691 0.397 0.123 + 1905WAT H2 5902 3.703 0.529 0.195 + 1906WAT O 5903 1.448 0.440 2.956 + 1906WAT H1 5904 1.543 0.447 2.964 + 1906WAT H2 5905 1.423 0.382 3.028 + 1907WAT O 5906 3.143 0.130 3.334 + 1907WAT H1 5907 3.057 0.146 3.294 + 1907WAT H2 5908 3.189 0.213 3.324 + 1908WAT O 5909 3.813 2.035 0.983 + 1908WAT H1 5910 3.872 2.066 0.914 + 1908WAT H2 5911 3.850 1.950 1.010 + 1909WAT O 5912 1.305 1.314 2.645 + 1909WAT H1 5913 1.281 1.400 2.678 + 1909WAT H2 5914 1.401 1.313 2.646 + 1910WAT O 5915 3.883 3.911 2.144 + 1910WAT H1 5916 3.881 3.993 2.192 + 1910WAT H2 5917 3.792 3.880 2.146 + 1911WAT O 5918 0.116 2.903 2.238 + 1911WAT H1 5919 0.037 2.950 2.213 + 1911WAT H2 5920 0.172 2.968 2.280 + 1912WAT O 5921 1.058 1.009 0.918 + 1912WAT H1 5922 0.985 0.951 0.896 + 1912WAT H2 5923 1.021 1.073 0.978 + 1913WAT O 5924 1.317 1.066 2.807 + 1913WAT H1 5925 1.291 1.151 2.773 + 1913WAT H2 5926 1.412 1.072 2.817 + 1914WAT O 5927 0.252 3.695 3.083 + 1914WAT H1 5928 0.314 3.767 3.069 + 1914WAT H2 5929 0.224 3.670 2.995 + 1915WAT O 5930 1.477 0.227 1.109 + 1915WAT H1 5931 1.447 0.316 1.129 + 1915WAT H2 5932 1.494 0.229 1.015 + 1916WAT O 5933 1.718 0.405 2.006 + 1916WAT H1 5934 1.745 0.480 2.059 + 1916WAT H2 5935 1.698 0.337 2.070 + 1917WAT O 5936 1.518 1.442 1.180 + 1917WAT H1 5937 1.603 1.463 1.218 + 1917WAT H2 5938 1.520 1.482 1.094 + 1918WAT O 5939 0.048 2.659 1.268 + 1918WAT H1 5940 4.005 2.594 1.266 + 1918WAT H2 5941 0.046 2.694 1.356 + 1919WAT O 5942 3.694 3.379 0.025 + 1919WAT H1 5943 3.727 3.351 3.967 + 1919WAT H2 5944 3.603 3.350 0.025 + 1920WAT O 5945 0.582 2.569 0.939 + 1920WAT H1 5946 0.652 2.548 0.877 + 1920WAT H2 5947 0.580 2.494 0.999 + 1921WAT O 5948 2.742 3.497 0.181 + 1921WAT H1 5949 2.675 3.492 0.113 + 1921WAT H2 5950 2.812 3.441 0.150 + 1922WAT O 5951 3.525 3.712 2.647 + 1922WAT H1 5952 3.456 3.701 2.713 + 1922WAT H2 5953 3.596 3.655 2.678 + 1923WAT O 5954 2.911 3.242 2.529 + 1923WAT H1 5955 2.932 3.332 2.554 + 1923WAT H2 5956 2.964 3.226 2.451 + 1924WAT O 5957 1.017 1.605 2.873 + 1924WAT H1 5958 1.001 1.511 2.881 + 1924WAT H2 5959 0.957 1.634 2.805 + 1925WAT O 5960 1.649 1.890 3.259 + 1925WAT H1 5961 1.732 1.886 3.211 + 1925WAT H2 5962 1.656 1.969 3.313 + 1926WAT O 5963 0.672 1.285 1.186 + 1926WAT H1 5964 0.594 1.325 1.226 + 1926WAT H2 5965 0.674 1.196 1.222 + 1927WAT O 5966 2.397 0.973 2.225 + 1927WAT H1 5967 2.362 1.009 2.143 + 1927WAT H2 5968 2.441 1.047 2.266 + 1928WAT O 5969 1.632 3.586 2.453 + 1928WAT H1 5970 1.583 3.603 2.534 + 1928WAT H2 5971 1.686 3.663 2.441 + 1929WAT O 5972 2.514 3.697 1.077 + 1929WAT H1 5973 2.426 3.717 1.108 + 1929WAT H2 5974 2.543 3.624 1.132 + 1930WAT O 5975 2.750 2.224 1.555 + 1930WAT H1 5976 2.766 2.161 1.485 + 1930WAT H2 5977 2.701 2.295 1.514 + 1931WAT O 5978 2.525 0.406 3.759 + 1931WAT H1 5979 2.508 0.451 3.842 + 1931WAT H2 5980 2.615 0.374 3.767 + 1932WAT O 5981 2.146 3.410 2.058 + 1932WAT H1 5982 2.152 3.428 1.964 + 1932WAT H2 5983 2.218 3.350 2.076 + 1933WAT O 5984 1.185 1.178 3.535 + 1933WAT H1 5985 1.255 1.226 3.578 + 1933WAT H2 5986 1.120 1.163 3.604 + 1934WAT O 5987 1.006 2.912 1.603 + 1934WAT H1 5988 1.030 2.828 1.642 + 1934WAT H2 5989 0.940 2.948 1.663 + 1935WAT O 5990 1.685 3.588 1.952 + 1935WAT H1 5991 1.635 3.576 2.033 + 1935WAT H2 5992 1.752 3.520 1.955 + 1936WAT O 5993 1.603 0.372 2.314 + 1936WAT H1 5994 1.671 0.332 2.367 + 1936WAT H2 5995 1.572 0.447 2.365 + 1937WAT O 5996 1.125 1.997 0.078 + 1937WAT H1 5997 1.093 2.011 4.016 + 1937WAT H2 5998 1.166 2.080 0.102 + 1938WAT O 5999 0.404 2.167 2.666 + 1938WAT H1 6000 0.320 2.194 2.629 + 1938WAT H2 6001 0.444 2.115 2.596 + 1939WAT O 6002 3.646 1.614 1.213 + 1939WAT H1 6003 3.624 1.696 1.169 + 1939WAT H2 6004 3.571 1.597 1.270 + 1940WAT O 6005 2.742 1.248 0.106 + 1940WAT H1 6006 2.823 1.241 0.055 + 1940WAT H2 6007 2.766 1.300 0.182 + 1941WAT O 6008 2.497 1.005 3.348 + 1941WAT H1 6009 2.428 1.031 3.409 + 1941WAT H2 6010 2.451 0.980 3.268 + 1942WAT O 6011 3.456 2.494 0.706 + 1942WAT H1 6012 3.439 2.463 0.795 + 1942WAT H2 6013 3.550 2.481 0.694 + 1943WAT O 6014 2.315 3.980 3.091 + 1943WAT H1 6015 2.409 3.982 3.071 + 1943WAT H2 6016 2.291 3.887 3.085 + 1944WAT O 6017 1.716 1.434 2.028 + 1944WAT H1 6018 1.634 1.484 2.030 + 1944WAT H2 6019 1.764 1.469 1.953 + 1945WAT O 6020 3.531 3.973 0.281 + 1945WAT H1 6021 3.506 3.936 0.196 + 1945WAT H2 6022 3.603 0.005 0.261 + 1946WAT O 6023 2.841 2.706 0.809 + 1946WAT H1 6024 2.878 2.644 0.746 + 1946WAT H2 6025 2.790 2.653 0.869 + 1947WAT O 6026 0.763 1.177 2.412 + 1947WAT H1 6027 0.759 1.185 2.508 + 1947WAT H2 6028 0.782 1.085 2.397 + 1948WAT O 6029 3.322 3.387 0.344 + 1948WAT H1 6030 3.295 3.471 0.382 + 1948WAT H2 6031 3.263 3.323 0.384 + 1949WAT O 6032 0.425 2.230 1.421 + 1949WAT H1 6033 0.433 2.322 1.444 + 1949WAT H2 6034 0.516 2.200 1.411 + 1950WAT O 6035 0.403 2.707 0.115 + 1950WAT H1 6036 0.379 2.798 0.131 + 1950WAT H2 6037 0.323 2.658 0.137 + 1951WAT O 6038 4.008 1.478 2.075 + 1951WAT H1 6039 4.014 1.496 2.169 + 1951WAT H2 6040 0.072 1.466 2.047 + 1952WAT O 6041 0.499 2.604 0.442 + 1952WAT H1 6042 0.549 2.575 0.365 + 1952WAT H2 6043 0.422 2.648 0.406 + 1953WAT O 6044 0.274 2.809 0.395 + 1953WAT H1 6045 0.296 2.894 0.432 + 1953WAT H2 6046 0.183 2.817 0.368 + 1954WAT O 6047 1.080 1.803 2.174 + 1954WAT H1 6048 1.139 1.826 2.245 + 1954WAT H2 6049 1.014 1.746 2.214 + 1955WAT O 6050 0.482 1.914 2.944 + 1955WAT H1 6051 0.566 1.868 2.942 + 1955WAT H2 6052 0.452 1.914 2.853 + 1956WAT O 6053 3.426 1.810 3.849 + 1956WAT H1 6054 3.431 1.900 3.816 + 1956WAT H2 6055 3.389 1.820 3.937 + 1957WAT O 6056 2.619 2.426 2.803 + 1957WAT H1 6057 2.623 2.347 2.749 + 1957WAT H2 6058 2.666 2.492 2.753 + 1958WAT O 6059 1.001 0.696 1.830 + 1958WAT H1 6060 1.030 0.781 1.797 + 1958WAT H2 6061 0.982 0.711 1.923 + 1959WAT O 6062 0.263 0.828 3.893 + 1959WAT H1 6063 0.196 0.871 3.947 + 1959WAT H2 6064 0.219 0.752 3.856 + 1960WAT O 6065 3.457 2.678 0.515 + 1960WAT H1 6066 3.445 2.623 0.593 + 1960WAT H2 6067 3.456 2.768 0.548 + 1961WAT O 6068 0.499 3.729 3.799 + 1961WAT H1 6069 0.454 3.697 3.720 + 1961WAT H2 6070 0.440 3.705 3.871 + 1962WAT O 6071 3.522 1.235 2.016 + 1962WAT H1 6072 3.539 1.142 2.004 + 1962WAT H2 6073 3.594 1.265 2.072 + 1963WAT O 6074 3.973 1.004 1.799 + 1963WAT H1 6075 3.983 1.082 1.853 + 1963WAT H2 6076 0.005 0.940 1.838 + 1964WAT O 6077 1.163 2.823 2.095 + 1964WAT H1 6078 1.138 2.735 2.121 + 1964WAT H2 6079 1.235 2.810 2.033 + 1965WAT O 6080 0.673 3.745 2.665 + 1965WAT H1 6081 0.587 3.713 2.693 + 1965WAT H2 6082 0.718 3.667 2.634 + 1966WAT O 6083 2.010 3.924 2.505 + 1966WAT H1 6084 2.053 3.844 2.475 + 1966WAT H2 6085 1.964 3.897 2.585 + 1967WAT O 6086 1.574 2.274 0.937 + 1967WAT H1 6087 1.548 2.341 0.874 + 1967WAT H2 6088 1.510 2.283 1.009 + 1968WAT O 6089 3.886 1.970 3.727 + 1968WAT H1 6090 3.966 1.928 3.759 + 1968WAT H2 6091 3.816 1.930 3.778 + 1969WAT O 6092 3.620 0.934 2.746 + 1969WAT H1 6093 3.707 0.971 2.757 + 1969WAT H2 6094 3.591 0.966 2.660 + 1970WAT O 6095 3.110 3.726 3.711 + 1970WAT H1 6096 3.198 3.745 3.742 + 1970WAT H2 6097 3.052 3.754 3.782 + 1971WAT O 6098 2.424 1.770 3.185 + 1971WAT H1 6099 2.491 1.779 3.117 + 1971WAT H2 6100 2.354 1.719 3.144 + 1972WAT O 6101 0.225 2.721 3.833 + 1972WAT H1 6102 0.194 2.664 3.762 + 1972WAT H2 6103 0.321 2.712 3.830 + 1973WAT O 6104 1.479 0.345 0.803 + 1973WAT H1 6105 1.499 0.420 0.859 + 1973WAT H2 6106 1.399 0.371 0.756 + 1974WAT O 6107 1.447 3.567 3.110 + 1974WAT H1 6108 1.426 3.542 3.201 + 1974WAT H2 6109 1.478 3.486 3.070 + 1975WAT O 6110 1.019 2.180 3.629 + 1975WAT H1 6111 1.022 2.266 3.672 + 1975WAT H2 6112 1.076 2.189 3.553 + 1976WAT O 6113 2.027 3.924 3.833 + 1976WAT H1 6114 2.070 3.874 3.902 + 1976WAT H2 6115 2.072 3.897 3.753 + 1977WAT O 6116 1.476 3.945 1.599 + 1977WAT H1 6117 1.466 3.850 1.596 + 1977WAT H2 6118 1.558 3.958 1.647 + 1978WAT O 6119 0.602 0.040 2.178 + 1978WAT H1 6120 0.618 3.976 2.203 + 1978WAT H2 6121 0.676 0.088 2.216 + 1979WAT O 6122 2.086 2.360 1.603 + 1979WAT H1 6123 2.149 2.336 1.672 + 1979WAT H2 6124 2.081 2.455 1.608 + 1980WAT O 6125 2.541 0.028 0.097 + 1980WAT H1 6126 2.466 4.023 0.047 + 1980WAT H2 6127 2.520 0.006 0.188 + 1981WAT O 6128 0.889 1.654 2.649 + 1981WAT H1 6129 0.921 1.728 2.597 + 1981WAT H2 6130 0.891 1.579 2.589 + 1982WAT O 6131 2.143 0.752 2.554 + 1982WAT H1 6132 2.096 0.699 2.619 + 1982WAT H2 6133 2.236 0.737 2.574 + 1983WAT O 6134 4.010 1.228 3.580 + 1983WAT H1 6135 3.986 1.319 3.564 + 1983WAT H2 6136 3.951 1.199 3.650 + 1984WAT O 6137 0.023 1.793 3.861 + 1984WAT H1 6138 0.096 1.748 3.904 + 1984WAT H2 6139 3.991 1.815 3.933 + 1985WAT O 6140 1.027 1.893 1.124 + 1985WAT H1 6141 0.997 1.871 1.035 + 1985WAT H2 6142 1.007 1.986 1.133 + 1986WAT O 6143 3.675 1.278 2.218 + 1986WAT H1 6144 3.678 1.191 2.258 + 1986WAT H2 6145 3.695 1.338 2.289 + 1987WAT O 6146 1.934 1.519 0.952 + 1987WAT H1 6147 1.897 1.437 0.986 + 1987WAT H2 6148 2.026 1.497 0.934 + 1988WAT O 6149 2.412 2.638 3.838 + 1988WAT H1 6150 2.484 2.643 3.775 + 1988WAT H2 6151 2.427 2.555 3.884 + 1989WAT O 6152 0.246 0.988 1.430 + 1989WAT H1 6153 0.299 0.923 1.385 + 1989WAT H2 6154 0.180 0.936 1.477 + 1990WAT O 6155 1.447 1.152 0.707 + 1990WAT H1 6156 1.516 1.171 0.642 + 1990WAT H2 6157 1.375 1.118 0.655 + 1991WAT O 6158 0.575 2.683 2.177 + 1991WAT H1 6159 0.589 2.774 2.154 + 1991WAT H2 6160 0.659 2.640 2.161 + 1992WAT O 6161 1.348 1.940 1.228 + 1992WAT H1 6162 1.306 1.866 1.186 + 1992WAT H2 6163 1.433 1.907 1.256 + 1993WAT O 6164 2.429 1.547 1.695 + 1993WAT H1 6165 2.494 1.522 1.628 + 1993WAT H2 6166 2.345 1.533 1.652 + 1994WAT O 6167 3.710 0.568 1.321 + 1994WAT H1 6168 3.778 0.507 1.348 + 1994WAT H2 6169 3.633 0.542 1.372 + 1995WAT O 6170 2.103 2.077 3.627 + 1995WAT H1 6171 2.189 2.106 3.659 + 1995WAT H2 6172 2.050 2.156 3.626 + 1996WAT O 6173 0.092 1.979 0.093 + 1996WAT H1 6174 0.172 2.004 0.047 + 1996WAT H2 6175 0.027 2.045 0.066 + 1997WAT O 6176 3.927 1.556 1.304 + 1997WAT H1 6177 3.844 1.590 1.269 + 1997WAT H2 6178 3.957 1.624 1.364 + 1998WAT O 6179 1.072 0.319 2.330 + 1998WAT H1 6180 1.135 0.368 2.384 + 1998WAT H2 6181 1.086 0.351 2.241 + 1999WAT O 6182 2.604 3.480 3.967 + 1999WAT H1 6183 2.675 3.444 3.914 + 1999WAT H2 6184 2.527 3.479 3.909 + 2000WAT O 6185 2.292 0.168 3.562 + 2000WAT H1 6186 2.315 0.096 3.503 + 2000WAT H2 6187 2.350 0.156 3.637 + 2001WAT O 6188 2.180 1.388 0.630 + 2001WAT H1 6189 2.132 1.468 0.653 + 2001WAT H2 6190 2.272 1.416 0.625 + 2002WAT O 6191 2.174 0.625 3.849 + 2002WAT H1 6192 2.179 0.709 3.805 + 2002WAT H2 6193 2.254 0.621 3.902 + 2003WAT O 6194 0.078 3.008 1.473 + 2003WAT H1 6195 0.012 2.945 1.443 + 2003WAT H2 6196 0.112 2.970 1.554 + 2004WAT O 6197 0.402 1.753 2.019 + 2004WAT H1 6198 0.389 1.737 1.926 + 2004WAT H2 6199 0.396 1.667 2.060 + 2005WAT O 6200 1.975 1.230 0.448 + 2005WAT H1 6201 1.977 1.146 0.402 + 2005WAT H2 6202 2.034 1.287 0.398 + 2006WAT O 6203 3.699 3.639 3.036 + 2006WAT H1 6204 3.711 3.669 3.126 + 2006WAT H2 6205 3.751 3.559 3.030 + 2007WAT O 6206 2.808 3.575 3.372 + 2007WAT H1 6207 2.794 3.508 3.439 + 2007WAT H2 6208 2.877 3.630 3.408 + 2008WAT O 6209 1.223 3.225 0.276 + 2008WAT H1 6210 1.174 3.288 0.328 + 2008WAT H2 6211 1.281 3.182 0.339 + 2009WAT O 6212 0.100 3.347 1.032 + 2009WAT H1 6213 0.054 3.295 1.098 + 2009WAT H2 6214 0.107 3.289 0.956 + 2010WAT O 6215 1.016 2.196 1.416 + 2010WAT H1 6216 1.018 2.285 1.451 + 2010WAT H2 6217 1.102 2.160 1.436 + 2011WAT O 6218 2.385 0.031 2.033 + 2011WAT H1 6219 2.388 0.074 1.947 + 2011WAT H2 6220 2.293 0.035 2.058 + 2012WAT O 6221 2.410 3.077 2.799 + 2012WAT H1 6222 2.401 3.043 2.888 + 2012WAT H2 6223 2.481 3.026 2.761 + 2013WAT O 6224 3.372 1.349 2.253 + 2013WAT H1 6225 3.328 1.430 2.227 + 2013WAT H2 6226 3.415 1.319 2.173 + 2014WAT O 6227 0.459 2.714 1.720 + 2014WAT H1 6228 0.547 2.705 1.682 + 2014WAT H2 6229 0.470 2.778 1.790 + 2015WAT O 6230 3.736 2.363 2.516 + 2015WAT H1 6231 3.758 2.324 2.600 + 2015WAT H2 6232 3.774 2.451 2.520 + 2016WAT O 6233 3.692 2.785 1.694 + 2016WAT H1 6234 3.647 2.721 1.638 + 2016WAT H2 6235 3.770 2.739 1.725 + 2017WAT O 6236 1.031 4.012 3.201 + 2017WAT H1 6237 0.984 0.005 3.281 + 2017WAT H2 6238 0.974 3.951 3.154 + 2018WAT O 6239 3.533 3.318 3.377 + 2018WAT H1 6240 3.460 3.273 3.333 + 2018WAT H2 6241 3.492 3.390 3.424 + 2019WAT O 6242 1.244 0.487 3.855 + 2019WAT H1 6243 1.230 0.516 3.945 + 2019WAT H2 6244 1.192 0.406 3.848 + 2020WAT O 6245 1.894 2.575 4.013 + 2020WAT H1 6246 1.924 2.525 3.937 + 2020WAT H2 6247 1.923 2.524 0.061 + 2021WAT O 6248 1.557 2.778 0.867 + 2021WAT H1 6249 1.616 2.791 0.793 + 2021WAT H2 6250 1.534 2.685 0.863 + 2022WAT O 6251 1.926 3.587 2.117 + 2022WAT H1 6252 1.926 3.503 2.162 + 2022WAT H2 6253 2.016 3.596 2.085 + 2023WAT O 6254 0.971 3.039 0.139 + 2023WAT H1 6255 0.930 3.112 0.186 + 2023WAT H2 6256 0.901 3.004 0.084 + 2024WAT O 6257 0.410 0.810 0.817 + 2024WAT H1 6258 0.424 0.845 0.729 + 2024WAT H2 6259 0.454 0.872 0.875 + 2025WAT O 6260 0.528 3.130 3.011 + 2025WAT H1 6261 0.617 3.106 3.036 + 2025WAT H2 6262 0.472 3.082 3.073 + 2026WAT O 6263 3.191 1.537 1.552 + 2026WAT H1 6264 3.129 1.464 1.556 + 2026WAT H2 6265 3.199 1.568 1.642 + 2027WAT O 6266 0.208 3.527 3.336 + 2027WAT H1 6267 0.160 3.461 3.286 + 2027WAT H2 6268 0.250 3.581 3.270 + 2028WAT O 6269 3.964 1.779 1.455 + 2028WAT H1 6270 4.019 1.852 1.484 + 2028WAT H2 6271 3.906 1.763 1.529 + 2029WAT O 6272 1.031 1.773 1.363 + 2029WAT H1 6273 1.038 1.832 1.288 + 2029WAT H2 6274 0.992 1.827 1.432 + 2030WAT O 6275 0.019 2.725 1.539 + 2030WAT H1 6276 0.089 2.674 1.580 + 2030WAT H2 6277 3.974 2.722 1.602 + 2031WAT O 6278 2.475 2.889 1.847 + 2031WAT H1 6279 2.411 2.949 1.884 + 2031WAT H2 6280 2.560 2.927 1.869 + 2032WAT O 6281 0.351 3.790 1.573 + 2032WAT H1 6282 0.302 3.858 1.526 + 2032WAT H2 6283 0.335 3.710 1.523 + 2033WAT O 6284 3.553 0.735 0.112 + 2033WAT H1 6285 3.636 0.778 0.092 + 2033WAT H2 6286 3.540 0.751 0.206 + 2034WAT O 6287 3.490 1.354 0.427 + 2034WAT H1 6288 3.463 1.362 0.519 + 2034WAT H2 6289 3.435 1.284 0.392 + 2035WAT O 6290 0.502 1.911 0.487 + 2035WAT H1 6291 0.575 1.973 0.480 + 2035WAT H2 6292 0.427 1.965 0.511 + 2036WAT O 6293 2.571 0.559 0.770 + 2036WAT H1 6294 2.479 0.533 0.766 + 2036WAT H2 6295 2.592 0.555 0.864 + 2037WAT O 6296 3.883 1.773 0.443 + 2037WAT H1 6297 3.900 1.853 0.493 + 2037WAT H2 6298 3.795 1.747 0.470 + 2038WAT O 6299 3.511 0.922 3.001 + 2038WAT H1 6300 3.531 0.916 2.907 + 2038WAT H2 6301 3.522 0.833 3.034 + 2039WAT O 6302 1.184 1.172 2.195 + 2039WAT H1 6303 1.237 1.236 2.149 + 2039WAT H2 6304 1.247 1.113 2.235 + 2040WAT O 6305 0.186 0.367 1.215 + 2040WAT H1 6306 0.109 0.311 1.212 + 2040WAT H2 6307 0.159 0.443 1.267 + 2041WAT O 6308 0.867 0.672 2.483 + 2041WAT H1 6309 0.899 0.664 2.393 + 2041WAT H2 6310 0.940 0.643 2.537 + 2042WAT O 6311 2.028 0.983 0.294 + 2042WAT H1 6312 2.069 0.899 0.272 + 2042WAT H2 6313 1.938 0.974 0.262 + 2043WAT O 6314 2.214 3.871 3.629 + 2043WAT H1 6315 2.257 3.787 3.611 + 2043WAT H2 6316 2.260 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sha256:a62aa582579f0d891161343d29da118a1234b5a2b192a5a9ec76b802b9dbe4fb +size 265202652 diff --git a/G3/data/NVT.mdp b/G3/data/NVT.mdp new file mode 100644 index 0000000000000000000000000000000000000000..ddbe4a6dc202ff33cbe6db8b083dea0465da5f76 --- /dev/null +++ b/G3/data/NVT.mdp @@ -0,0 +1,70 @@ +define = + +; Integrator stuff +integrator = md ; steep or md +dt = 0.002 +nsteps = 250000000 ; -1 no maximum +init-step = 0 ; +continuation = no + +; neighbour search +cutoff-scheme = verlet ; the other is bad +nst-list = 10 ;frequency of update of neighbours, with verlet-buf-tol its a minimum +verlet-buffer-tolerance = 0.005 ; kj/mol/ps might need to put -1. +ns-type = grid + + +; Pbc +pbc = xyz ; xyz or xy + +; Vdw +rvdw = 1.0 +vdwtype = cut-off ; PME or User to look for table /user +DispCorr = EnerPres ; corrections to energy and pressure or No + +;Electrostatic +coulombtype = PME ; User if look for table +rcoulomb = 1.0 +pme-order = 4 +fourierspacing = 0.1 +ewald-rtol = 1.e-5 ; splitting between real and reciprocal +ewald-geometry = 3d ; 3d or 3dc + +IMD-group = non-Water + +; T and P +tcoupl = v-rescale ; none, nose-hoover, v-rescale +nsttcouple = 10 ; 10 if not used +tc-grps = OCB MOL Water_and_ions +tau-t = 0.1 0.1 0.1 ; ps +ref-t = 300 300 300 ; K +pcoupl = no ; +pcoupltype = isotropic ; +compressibility = 4.5e-5 ; isothermal compressibility of water, bar^-1 +refcoord-scaling = com +tau-p = 5.0 ; ps +ref-p = 1.0 ; bar + +; Constraints +constraints = all-bonds ; constraints distances +constraint-algorithm = LINCS ; or SHAKE +lincs_iter = 1 +lincs_order = 4 + +;Generate velocities +gen_vel = yes ; assign velocities from Maxwell distribution +gen_temp = 300 ; temperature for Maxwell distribution +gen_seed = -1 ; generate a random seed + + +; OUTPUT +; Output control +nstenergy = 1000 ; save energies +nstlog = 1000 ; update log file every +nstxout = 500 ; save coordinates every 1.0 ps + ; nstxout-compressed replaces nstxtcout + +; COM removal . There are more options like removing from groups or the frequency +comm-mode = linear ; linear, angular (removes linear and angular motion) or none +nstcomm = 100 ; frequency of removal of com motion +nstcalcenergy = 500 diff --git a/G3/data/b.gro b/G3/data/b.gro new file mode 100644 index 0000000000000000000000000000000000000000..a0e27f6c19ab5af3363fe8922a03c7ed7cd8248b --- /dev/null +++ b/G3/data/b.gro @@ -0,0 +1,6538 @@ +Generic title t= 6275.00000 step= 3137500 + 6535 + 1MOL C1 1 0.702 0.666 3.378 + 1MOL C2 2 0.600 0.730 3.473 + 1MOL C3 3 0.611 0.696 3.622 + 1MOL C4 4 0.536 0.569 3.664 + 1MOL C5 5 0.387 0.572 3.627 + 1MOL C6 6 0.299 0.473 3.705 + 1MOL N1 7 0.247 0.506 3.842 + 1MOL C7 8 0.138 0.406 3.868 + 1MOL C8 9 0.180 0.640 3.857 + 1MOL C9 10 0.358 0.496 3.942 + 1MOL H1 11 0.698 0.713 3.279 + 1MOL H2 12 0.803 0.677 3.419 + 1MOL H3 13 0.502 0.705 3.433 + 1MOL H4 14 0.618 0.836 3.454 + 1MOL H5 15 0.579 0.785 3.678 + 1MOL H6 16 0.713 0.670 3.652 + 1MOL H7 17 0.548 0.564 3.772 + 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518WAT H1 1761 1.612 3.061 3.967 + 518WAT H2 1762 1.473 3.120 3.975 + 519WAT O 1763 0.948 3.926 0.077 + 519WAT H1 1764 1.014 3.992 0.098 + 519WAT H2 1765 0.976 3.848 0.125 + 520WAT O 1766 0.510 0.711 0.534 + 520WAT H1 1767 0.475 0.723 0.622 + 520WAT H2 1768 0.513 0.800 0.497 + 521WAT O 1769 2.439 0.308 0.077 + 521WAT H1 1770 2.453 0.228 0.027 + 521WAT H2 1771 2.384 0.281 0.150 + 522WAT O 1772 1.907 2.133 1.981 + 522WAT H1 1773 1.882 2.079 2.056 + 522WAT H2 1774 1.986 2.091 1.947 + 523WAT O 1775 1.579 1.303 0.759 + 523WAT H1 1776 1.601 1.219 0.718 + 523WAT H2 1777 1.563 1.362 0.685 + 524WAT O 1778 4.015 1.152 0.067 + 524WAT H1 1779 3.990 1.226 0.012 + 524WAT H2 1780 3.994 1.075 0.015 + 525WAT O 1781 2.537 0.900 0.480 + 525WAT H1 1782 2.443 0.883 0.477 + 525WAT H2 1783 2.551 0.969 0.414 + 526WAT O 1784 0.579 2.510 1.566 + 526WAT H1 1785 0.596 2.483 1.656 + 526WAT H2 1786 0.608 2.601 1.562 + 527WAT O 1787 1.999 1.886 1.933 + 527WAT H1 1788 2.062 1.878 1.861 + 527WAT H2 1789 2.037 1.833 2.004 + 528WAT O 1790 3.598 2.360 0.734 + 528WAT H1 1791 3.551 2.441 0.756 + 528WAT H2 1792 3.682 2.390 0.699 + 529WAT O 1793 2.570 2.658 1.340 + 529WAT H1 1794 2.634 2.629 1.405 + 529WAT H2 1795 2.494 2.603 1.355 + 530WAT O 1796 2.781 3.325 3.599 + 530WAT H1 1797 2.816 3.241 3.570 + 530WAT H2 1798 2.712 3.302 3.661 + 531WAT O 1799 1.970 2.453 2.568 + 531WAT H1 1800 1.968 2.492 2.480 + 531WAT H2 1801 1.922 2.515 2.623 + 532WAT O 1802 3.271 1.950 3.217 + 532WAT H1 1803 3.301 2.007 3.146 + 532WAT H2 1804 3.345 1.892 3.234 + 533WAT O 1805 0.998 3.655 2.971 + 533WAT H1 1806 0.953 3.729 3.011 + 533WAT H2 1807 1.026 3.688 2.885 + 534WAT O 1808 0.296 2.028 0.943 + 534WAT H1 1809 0.224 2.085 0.916 + 534WAT H2 1810 0.259 1.940 0.937 + 535WAT O 1811 1.899 0.857 0.472 + 535WAT H1 1812 1.889 0.783 0.412 + 535WAT H2 1813 1.964 0.827 0.536 + 536WAT O 1814 0.590 1.930 0.077 + 536WAT H1 1815 0.608 1.952 4.018 + 536WAT H2 1816 0.535 1.851 0.071 + 537WAT O 1817 2.556 0.397 3.761 + 537WAT H1 1818 2.589 0.460 3.825 + 537WAT H2 1819 2.633 0.348 3.733 + 538WAT O 1820 2.345 1.712 3.793 + 538WAT H1 1821 2.383 1.749 3.873 + 538WAT H2 1822 2.252 1.732 3.800 + 539WAT O 1823 1.590 0.641 3.343 + 539WAT H1 1824 1.572 0.676 3.256 + 539WAT H2 1825 1.564 0.711 3.403 + 540WAT O 1826 1.615 0.047 1.378 + 540WAT H1 1827 1.705 0.079 1.387 + 540WAT H2 1828 1.567 0.120 1.339 + 541WAT O 1829 3.230 3.835 3.475 + 541WAT H1 1830 3.246 3.891 3.551 + 541WAT H2 1831 3.248 3.747 3.507 + 542WAT O 1832 3.847 1.978 0.130 + 542WAT H1 1833 3.880 1.919 0.062 + 542WAT H2 1834 3.876 2.065 0.103 + 543WAT O 1835 0.175 0.996 2.126 + 543WAT H1 1836 0.185 1.023 2.034 + 543WAT H2 1837 0.082 1.008 2.145 + 544WAT O 1838 0.660 3.622 2.073 + 544WAT H1 1839 0.603 3.606 2.149 + 544WAT H2 1840 0.621 3.698 2.030 + 545WAT O 1841 0.772 1.642 2.771 + 545WAT H1 1842 0.821 1.582 2.827 + 545WAT H2 1843 0.710 1.586 2.725 + 546WAT O 1844 0.009 2.165 1.273 + 546WAT H1 1845 0.096 2.142 1.240 + 546WAT H2 1846 0.025 2.203 1.359 + 547WAT O 1847 0.143 0.872 0.707 + 547WAT H1 1848 0.202 0.945 0.690 + 547WAT H2 1849 0.055 0.909 0.696 + 548WAT O 1850 2.185 3.593 3.827 + 548WAT H1 1851 2.136 3.605 3.908 + 548WAT H2 1852 2.244 3.668 3.823 + 549WAT O 1853 0.871 3.614 0.150 + 549WAT H1 1854 0.835 3.551 0.213 + 549WAT H2 1855 0.830 3.590 0.066 + 550WAT O 1856 0.405 0.334 2.580 + 550WAT H1 1857 0.378 0.335 2.488 + 550WAT H2 1858 0.499 0.347 2.578 + 551WAT O 1859 3.456 1.837 0.470 + 551WAT H1 1860 3.388 1.844 0.403 + 551WAT H2 1861 3.491 1.925 0.480 + 552WAT O 1862 2.512 1.895 3.097 + 552WAT H1 1863 2.427 1.877 3.057 + 552WAT H2 1864 2.491 1.923 3.186 + 553WAT O 1865 1.365 3.095 3.846 + 553WAT H1 1866 1.306 3.159 3.807 + 553WAT H2 1867 1.307 3.033 3.890 + 554WAT O 1868 1.939 0.256 2.131 + 554WAT H1 1869 1.881 0.183 2.152 + 554WAT H2 1870 1.881 0.324 2.097 + 555WAT O 1871 2.468 0.004 2.880 + 555WAT H1 1872 2.496 3.956 2.836 + 555WAT H2 1873 2.408 0.045 2.818 + 556WAT O 1874 0.786 2.674 1.871 + 556WAT H1 1875 0.709 2.714 1.830 + 556WAT H2 1876 0.858 2.731 1.846 + 557WAT O 1877 0.707 2.696 3.386 + 557WAT H1 1878 0.666 2.706 3.471 + 557WAT H2 1879 0.723 2.602 3.377 + 558WAT O 1880 2.528 3.778 1.883 + 558WAT H1 1881 2.606 3.757 1.831 + 558WAT H2 1882 2.526 3.710 1.950 + 559WAT O 1883 3.008 0.470 2.661 + 559WAT H1 1884 3.071 0.502 2.726 + 559WAT H2 1885 2.973 0.550 2.621 + 560WAT O 1886 1.444 2.438 3.954 + 560WAT H1 1887 1.363 2.486 3.974 + 560WAT H2 1888 1.431 2.403 3.866 + 561WAT O 1889 3.231 2.762 1.011 + 561WAT H1 1890 3.223 2.670 0.984 + 561WAT H2 1891 3.165 2.772 1.079 + 562WAT O 1892 0.837 3.521 1.886 + 562WAT H1 1893 0.916 3.508 1.939 + 562WAT H2 1894 0.769 3.543 1.950 + 563WAT O 1895 3.666 2.984 1.605 + 563WAT H1 1896 3.760 3.001 1.598 + 563WAT H2 1897 3.634 2.990 1.516 + 564WAT O 1898 2.035 2.076 0.323 + 564WAT H1 1899 2.051 2.074 0.417 + 564WAT H2 1900 2.034 2.169 0.301 + 565WAT O 1901 3.310 3.034 3.943 + 565WAT H1 1902 3.364 3.102 3.904 + 565WAT H2 1903 3.290 3.066 4.031 + 566WAT O 1904 1.616 3.211 1.911 + 566WAT H1 1905 1.697 3.250 1.878 + 566WAT H2 1906 1.547 3.269 1.878 + 567WAT O 1907 1.568 2.293 3.165 + 567WAT H1 1908 1.478 2.268 3.148 + 567WAT H2 1909 1.577 2.288 3.260 + 568WAT O 1910 1.943 3.042 1.978 + 568WAT H1 1911 1.988 2.981 2.036 + 568WAT H2 1912 1.871 3.076 2.031 + 569WAT O 1913 3.485 3.752 0.919 + 569WAT H1 1914 3.435 3.832 0.933 + 569WAT H2 1915 3.524 3.733 1.004 + 570WAT O 1916 2.910 3.156 1.308 + 570WAT H1 1917 2.996 3.146 1.268 + 570WAT H2 1918 2.853 3.185 1.237 + 571WAT O 1919 1.477 3.505 1.200 + 571WAT H1 1920 1.555 3.552 1.228 + 571WAT H2 1921 1.508 3.418 1.175 + 572WAT O 1922 1.840 1.391 1.222 + 572WAT H1 1923 1.796 1.434 1.295 + 572WAT H2 1924 1.887 1.462 1.178 + 573WAT O 1925 2.055 3.323 2.498 + 573WAT H1 1926 2.076 3.400 2.551 + 573WAT H2 1927 1.988 3.277 2.549 + 574WAT O 1928 3.515 2.946 0.592 + 574WAT H1 1929 3.581 2.958 0.660 + 574WAT H2 1930 3.432 2.948 0.639 + 575WAT O 1931 3.779 3.874 2.509 + 575WAT H1 1932 3.779 3.805 2.443 + 575WAT H2 1933 3.811 3.951 2.462 + 576WAT O 1934 2.519 1.567 0.626 + 576WAT H1 1935 2.523 1.490 0.571 + 576WAT H2 1936 2.596 1.619 0.602 + 577WAT O 1937 0.440 3.923 2.036 + 577WAT H1 1938 0.407 3.867 1.966 + 577WAT H2 1939 0.525 3.954 2.006 + 578WAT O 1940 1.012 0.968 1.580 + 578WAT H1 1941 1.060 1.014 1.649 + 578WAT H2 1942 1.075 0.962 1.508 + 579WAT O 1943 0.573 2.181 0.132 + 579WAT H1 1944 0.509 2.194 0.202 + 579WAT H2 1945 0.581 2.086 0.124 + 580WAT O 1946 0.145 2.121 0.158 + 580WAT H1 1947 0.106 2.198 0.199 + 580WAT H2 1948 0.144 2.140 0.064 + 581WAT O 1949 2.874 2.528 0.269 + 581WAT H1 1950 2.836 2.583 0.201 + 581WAT H2 1951 2.812 2.457 0.280 + 582WAT O 1952 3.985 3.761 3.330 + 582WAT H1 1953 0.007 3.698 3.284 + 582WAT H2 1954 0.015 3.819 3.374 + 583WAT O 1955 1.192 0.698 0.807 + 583WAT H1 1956 1.209 0.703 0.714 + 583WAT H2 1957 1.253 0.759 0.847 + 584WAT O 1958 0.273 2.645 3.338 + 584WAT H1 1959 0.196 2.691 3.303 + 584WAT H2 1960 0.347 2.700 3.313 + 585WAT O 1961 3.758 3.274 0.561 + 585WAT H1 1962 3.835 3.221 0.541 + 585WAT H2 1963 3.710 3.278 0.478 + 586WAT O 1964 0.811 3.739 1.493 + 586WAT H1 1965 0.750 3.681 1.447 + 586WAT H2 1966 0.853 3.790 1.424 + 587WAT O 1967 0.853 0.251 2.279 + 587WAT H1 1968 0.829 0.267 2.188 + 587WAT H2 1969 0.920 0.184 2.275 + 588WAT O 1970 0.387 0.152 2.104 + 588WAT H1 1971 0.419 0.067 2.075 + 588WAT H2 1972 0.320 0.176 2.041 + 589WAT O 1973 1.754 2.209 1.017 + 589WAT H1 1974 1.850 2.212 1.019 + 589WAT H2 1975 1.728 2.214 1.109 + 590WAT O 1976 1.583 2.432 0.896 + 590WAT H1 1977 1.524 2.425 0.820 + 590WAT H2 1978 1.659 2.380 0.872 + 591WAT O 1979 2.643 2.839 0.285 + 591WAT H1 1980 2.587 2.773 0.326 + 591WAT H2 1981 2.611 2.922 0.319 + 592WAT O 1982 0.014 1.994 2.762 + 592WAT H1 1983 0.106 2.016 2.744 + 592WAT H2 1984 0.016 1.903 2.789 + 593WAT O 1985 0.164 0.071 2.762 + 593WAT H1 1986 0.147 0.009 2.690 + 593WAT H2 1987 0.079 0.080 2.805 + 594WAT O 1988 0.326 3.408 2.459 + 594WAT H1 1989 0.325 3.313 2.453 + 594WAT H2 1990 0.272 3.437 2.385 + 595WAT O 1991 4.002 1.994 1.972 + 595WAT H1 1992 3.983 1.900 1.978 + 595WAT H2 1993 0.036 2.009 2.039 + 596WAT O 1994 0.648 1.901 1.435 + 596WAT H1 1995 0.692 1.942 1.361 + 596WAT H2 1996 0.673 1.809 1.429 + 597WAT O 1997 0.416 2.444 0.440 + 597WAT H1 1998 0.401 2.533 0.409 + 597WAT H2 1999 0.399 2.389 0.363 + 598WAT O 2000 0.092 2.148 0.826 + 598WAT H1 2001 0.085 2.206 0.750 + 598WAT H2 2002 0.006 2.154 0.868 + 599WAT O 2003 1.133 0.239 0.781 + 599WAT H1 2004 1.071 0.216 0.850 + 599WAT H2 2005 1.195 0.299 0.822 + 600WAT O 2006 1.162 1.650 0.170 + 600WAT H1 2007 1.191 1.613 0.254 + 600WAT H2 2008 1.101 1.585 0.135 + 601WAT O 2009 3.487 3.297 2.156 + 601WAT H1 2010 3.456 3.370 2.102 + 601WAT H2 2011 3.574 3.276 2.122 + 602WAT O 2012 3.756 3.067 3.139 + 602WAT H1 2013 3.829 3.100 3.088 + 602WAT H2 2014 3.685 3.056 3.075 + 603WAT O 2015 2.098 0.829 3.793 + 603WAT H1 2016 2.103 0.830 3.889 + 603WAT H2 2017 2.021 0.882 3.773 + 604WAT O 2018 0.033 0.794 0.221 + 604WAT H1 2019 0.105 0.784 0.282 + 604WAT H2 2020 0.018 0.705 0.187 + 605WAT O 2021 1.280 3.891 3.593 + 605WAT H1 2022 1.280 3.975 3.638 + 605WAT H2 2023 1.191 3.883 3.557 + 606WAT O 2024 0.877 2.939 2.288 + 606WAT H1 2025 0.867 3.034 2.279 + 606WAT H2 2026 0.867 2.923 2.382 + 607WAT O 2027 0.413 1.698 1.999 + 607WAT H1 2028 0.477 1.635 1.967 + 607WAT H2 2029 0.329 1.668 1.963 + 608WAT O 2030 2.631 1.853 3.992 + 608WAT H1 2031 2.702 1.844 0.024 + 608WAT H2 2032 2.676 1.865 3.908 + 609WAT O 2033 0.018 0.154 1.102 + 609WAT H1 2034 4.028 0.243 1.130 + 609WAT H2 2035 0.110 0.159 1.075 + 610WAT O 2036 3.589 1.008 0.372 + 610WAT H1 2037 3.636 0.971 0.447 + 610WAT H2 2038 3.502 0.967 0.377 + 611WAT O 2039 2.016 0.536 3.565 + 611WAT H1 2040 2.034 0.588 3.643 + 611WAT H2 2041 1.969 0.596 3.507 + 612WAT O 2042 3.351 4.007 1.814 + 612WAT H1 2043 3.264 3.967 1.819 + 612WAT H2 2044 3.360 0.022 1.896 + 613WAT O 2045 3.393 1.384 4.022 + 613WAT H1 2046 3.454 1.342 0.051 + 613WAT H2 2047 3.350 1.311 3.977 + 614WAT O 2048 3.991 3.904 0.076 + 614WAT H1 2049 0.017 3.923 0.149 + 614WAT H2 2050 3.958 3.816 0.092 + 615WAT O 2051 1.318 3.500 0.235 + 615WAT H1 2052 1.411 3.516 0.244 + 615WAT H2 2053 1.278 3.587 0.236 + 616WAT O 2054 1.150 1.165 2.060 + 616WAT H1 2055 1.164 1.130 2.148 + 616WAT H2 2056 1.159 1.259 2.069 + 617WAT O 2057 0.441 2.706 0.820 + 617WAT H1 2058 0.490 2.646 0.877 + 617WAT H2 2059 0.457 2.793 0.858 + 618WAT O 2060 2.613 2.826 1.126 + 618WAT H1 2061 2.684 2.853 1.183 + 618WAT H2 2062 2.566 2.759 1.176 + 619WAT O 2063 3.144 3.878 0.952 + 619WAT H1 2064 3.165 3.920 1.036 + 619WAT H2 2065 3.122 3.951 0.894 + 620WAT O 2066 0.398 1.519 1.164 + 620WAT H1 2067 0.335 1.559 1.224 + 620WAT H2 2068 0.361 1.534 1.077 + 621WAT O 2069 1.366 3.663 2.934 + 621WAT H1 2070 1.331 3.714 2.861 + 621WAT H2 2071 1.290 3.645 2.989 + 622WAT O 2072 1.888 0.270 3.656 + 622WAT H1 2073 1.796 0.263 3.678 + 622WAT H2 2074 1.899 0.358 3.621 + 623WAT O 2075 1.509 0.891 2.699 + 623WAT H1 2076 1.589 0.918 2.744 + 623WAT H2 2077 1.491 0.803 2.732 + 624WAT O 2078 1.302 1.140 0.775 + 624WAT H1 2079 1.262 1.110 0.694 + 624WAT H2 2080 1.366 1.072 0.797 + 625WAT O 2081 1.615 0.594 1.817 + 625WAT H1 2082 1.580 0.672 1.859 + 625WAT H2 2083 1.588 0.601 1.726 + 626WAT O 2084 2.757 0.867 2.264 + 626WAT H1 2085 2.668 0.841 2.290 + 626WAT H2 2086 2.751 0.962 2.250 + 627WAT O 2087 3.380 0.014 2.144 + 627WAT H1 2088 3.445 0.062 2.197 + 627WAT H2 2089 3.328 0.083 2.102 + 628WAT O 2090 2.810 3.078 2.096 + 628WAT H1 2091 2.880 3.142 2.083 + 628WAT H2 2092 2.746 3.123 2.151 + 629WAT O 2093 1.802 3.901 2.028 + 629WAT H1 2094 1.770 3.987 2.001 + 629WAT H2 2095 1.894 3.900 2.001 + 630WAT O 2096 0.319 3.603 2.642 + 630WAT H1 2097 0.403 3.629 2.680 + 630WAT H2 2098 0.343 3.539 2.575 + 631WAT O 2099 1.693 1.416 2.234 + 631WAT H1 2100 1.699 1.321 2.226 + 631WAT H2 2101 1.611 1.431 2.280 + 632WAT O 2102 2.714 3.266 1.484 + 632WAT H1 2103 2.736 3.228 1.398 + 632WAT H2 2104 2.619 3.256 1.490 + 633WAT O 2105 3.634 1.663 2.657 + 633WAT H1 2106 3.574 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1633WAT O 5105 3.042 1.729 2.943 + 1633WAT H1 5106 3.100 1.688 2.880 + 1633WAT H2 5107 3.054 1.679 3.024 + 1634WAT O 5108 1.562 1.763 3.805 + 1634WAT H1 5109 1.487 1.725 3.852 + 1634WAT H2 5110 1.625 1.784 3.874 + 1635WAT O 5111 2.700 3.469 1.679 + 1635WAT H1 5112 2.689 3.408 1.606 + 1635WAT H2 5113 2.710 3.413 1.756 + 1636WAT O 5114 1.751 2.012 1.411 + 1636WAT H1 5115 1.845 2.016 1.430 + 1636WAT H2 5116 1.710 2.035 1.494 + 1637WAT O 5117 0.319 2.714 2.111 + 1637WAT H1 5118 0.311 2.672 2.196 + 1637WAT H2 5119 0.350 2.645 2.053 + 1638WAT O 5120 1.638 0.382 2.939 + 1638WAT H1 5121 1.548 0.414 2.950 + 1638WAT H2 5122 1.628 0.297 2.896 + 1639WAT O 5123 0.522 3.083 2.836 + 1639WAT H1 5124 0.528 3.141 2.912 + 1639WAT H2 5125 0.429 3.060 2.831 + 1640WAT O 5126 3.612 2.946 0.834 + 1640WAT H1 5127 3.575 2.873 0.884 + 1640WAT H2 5128 3.707 2.939 0.848 + 1641WAT O 5129 0.457 2.140 3.593 + 1641WAT H1 5130 0.429 2.050 3.613 + 1641WAT H2 5131 0.455 2.145 3.497 + 1642WAT O 5132 2.030 3.765 2.190 + 1642WAT H1 5133 2.050 3.840 2.135 + 1642WAT H2 5134 1.937 3.750 2.176 + 1643WAT O 5135 3.306 2.193 2.440 + 1643WAT H1 5136 3.269 2.264 2.388 + 1643WAT H2 5137 3.273 2.208 2.528 + 1644WAT O 5138 0.685 1.672 1.040 + 1644WAT H1 5139 0.757 1.647 0.982 + 1644WAT H2 5140 0.607 1.633 1.000 + 1645WAT O 5141 0.205 0.014 1.407 + 1645WAT H1 5142 0.280 3.995 1.377 + 1645WAT H2 5143 0.243 0.099 1.432 + 1646WAT O 5144 2.415 4.019 1.118 + 1646WAT H1 5145 2.376 0.060 1.069 + 1646WAT H2 5146 2.475 3.978 1.056 + 1647WAT O 5147 0.484 1.797 3.059 + 1647WAT H1 5148 0.523 1.881 3.032 + 1647WAT H2 5149 0.539 1.767 3.132 + 1648WAT O 5150 0.926 2.888 2.864 + 1648WAT H1 5151 0.961 2.808 2.827 + 1648WAT H2 5152 0.984 2.957 2.832 + 1649WAT O 5153 3.255 3.197 2.264 + 1649WAT H1 5154 3.193 3.249 2.211 + 1649WAT H2 5155 3.338 3.203 2.216 + 1650WAT O 5156 0.357 1.621 2.846 + 1650WAT H1 5157 0.402 1.688 2.897 + 1650WAT H2 5158 0.337 1.552 2.910 + 1651WAT O 5159 1.263 1.270 1.283 + 1651WAT H1 5160 1.324 1.257 1.210 + 1651WAT H2 5161 1.217 1.352 1.261 + 1652WAT O 5162 0.394 0.644 2.448 + 1652WAT H1 5163 0.380 0.649 2.543 + 1652WAT H2 5164 0.322 0.589 2.416 + 1653WAT O 5165 2.815 3.282 0.146 + 1653WAT H1 5166 2.909 3.264 0.141 + 1653WAT H2 5167 2.776 3.218 0.086 + 1654WAT O 5168 1.580 3.418 0.339 + 1654WAT H1 5169 1.553 3.505 0.369 + 1654WAT H2 5170 1.648 3.435 0.275 + 1655WAT O 5171 3.321 2.171 1.735 + 1655WAT H1 5172 3.248 2.213 1.689 + 1655WAT H2 5173 3.284 2.147 1.821 + 1656WAT O 5174 1.611 1.046 1.064 + 1656WAT H1 5175 1.638 0.954 1.067 + 1656WAT H2 5176 1.653 1.080 0.985 + 1657WAT O 5177 2.975 0.658 3.038 + 1657WAT H1 5178 2.989 0.575 3.083 + 1657WAT H2 5179 3.025 0.722 3.089 + 1658WAT O 5180 3.620 1.842 2.290 + 1658WAT H1 5181 3.701 1.792 2.277 + 1658WAT H2 5182 3.566 1.785 2.344 + 1659WAT O 5183 0.704 2.796 2.096 + 1659WAT H1 5184 0.766 2.812 2.166 + 1659WAT H2 5185 0.749 2.735 2.038 + 1660WAT O 5186 1.508 1.898 3.571 + 1660WAT H1 5187 1.540 1.984 3.598 + 1660WAT H2 5188 1.546 1.837 3.635 + 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1670WAT H1 5217 3.797 3.577 0.985 + 1670WAT H2 5218 3.710 3.455 0.966 + 1671WAT O 5219 1.248 1.516 0.397 + 1671WAT H1 5220 1.255 1.422 0.381 + 1671WAT H2 5221 1.338 1.546 0.407 + 1672WAT O 5222 1.055 1.562 2.321 + 1672WAT H1 5223 0.987 1.603 2.376 + 1672WAT H2 5224 1.103 1.637 2.285 + 1673WAT O 5225 2.893 3.754 0.458 + 1673WAT H1 5226 2.936 3.822 0.405 + 1673WAT H2 5227 2.955 3.735 0.528 + 1674WAT O 5228 1.494 1.916 1.354 + 1674WAT H1 5229 1.496 1.823 1.378 + 1674WAT H2 5230 1.568 1.955 1.399 + 1675WAT O 5231 3.934 0.231 3.813 + 1675WAT H1 5232 3.880 0.156 3.786 + 1675WAT H2 5233 3.984 0.198 3.888 + 1676WAT O 5234 2.917 0.126 3.288 + 1676WAT H1 5235 2.915 0.076 3.206 + 1676WAT H2 5236 2.825 0.134 3.313 + 1677WAT O 5237 2.558 0.844 2.653 + 1677WAT H1 5238 2.608 0.765 2.675 + 1677WAT H2 5239 2.536 0.832 2.560 + 1678WAT O 5240 2.785 1.920 0.809 + 1678WAT H1 5241 2.754 1.834 0.835 + 1678WAT H2 5242 2.709 1.977 0.819 + 1679WAT O 5243 2.675 3.876 3.721 + 1679WAT H1 5244 2.677 3.965 3.685 + 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1698WAT H1 5301 2.567 3.072 0.033 + 1698WAT H2 5302 2.682 2.999 3.999 + 1699WAT O 5303 3.492 3.887 2.980 + 1699WAT H1 5304 3.470 3.979 2.965 + 1699WAT H2 5305 3.475 3.844 2.896 + 1700WAT O 5306 1.689 2.275 1.358 + 1700WAT H1 5307 1.701 2.307 1.448 + 1700WAT H2 5308 1.704 2.181 1.365 + 1701WAT O 5309 3.957 0.901 0.024 + 1701WAT H1 5310 3.950 0.822 4.003 + 1701WAT H2 5311 4.008 0.874 0.100 + 1702WAT O 5312 3.567 2.597 3.365 + 1702WAT H1 5313 3.535 2.687 3.357 + 1702WAT H2 5314 3.652 2.598 3.322 + 1703WAT O 5315 2.080 3.612 0.703 + 1703WAT H1 5316 2.137 3.545 0.666 + 1703WAT H2 5317 2.060 3.581 0.791 + 1704WAT O 5318 2.047 0.903 2.899 + 1704WAT H1 5319 2.014 0.895 2.988 + 1704WAT H2 5320 2.098 0.823 2.886 + 1705WAT O 5321 0.831 0.809 0.440 + 1705WAT H1 5322 0.878 0.882 0.400 + 1705WAT H2 5323 0.756 0.850 0.484 + 1706WAT O 5324 2.302 2.582 1.302 + 1706WAT H1 5325 2.263 2.510 1.251 + 1706WAT H2 5326 2.257 2.577 1.386 + 1707WAT O 5327 0.686 3.969 1.939 + 1707WAT H1 5328 0.756 3.912 1.908 + 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1754WAT H1 5469 0.568 1.463 0.391 + 1754WAT H2 5470 0.618 1.605 0.399 + 1755WAT O 5471 3.879 1.151 0.856 + 1755WAT H1 5472 3.918 1.134 0.770 + 1755WAT H2 5473 3.881 1.066 0.900 + 1756WAT O 5474 1.832 1.885 1.138 + 1756WAT H1 5475 1.876 1.937 1.071 + 1756WAT H2 5476 1.806 1.948 1.205 + 1757WAT O 5477 1.295 2.607 0.591 + 1757WAT H1 5478 1.380 2.646 0.569 + 1757WAT H2 5479 1.239 2.625 0.515 + 1758WAT O 5480 3.070 3.243 0.075 + 1758WAT H1 5481 3.039 3.192 4.032 + 1758WAT H2 5482 3.133 3.305 0.037 + 1759WAT O 5483 2.908 1.806 3.812 + 1759WAT H1 5484 2.976 1.764 3.865 + 1759WAT H2 5485 2.842 1.738 3.801 + 1760WAT O 5486 0.885 1.655 2.508 + 1760WAT H1 5487 0.891 1.732 2.564 + 1760WAT H2 5488 0.867 1.583 2.568 + 1761WAT O 5489 1.022 2.617 3.946 + 1761WAT H1 5490 1.002 2.529 3.977 + 1761WAT H2 5491 1.117 2.618 3.935 + 1762WAT O 5492 0.760 2.968 3.606 + 1762WAT H1 5493 0.765 3.058 3.575 + 1762WAT H2 5494 0.746 2.916 3.527 + 1763WAT O 5495 3.680 0.270 1.779 + 1763WAT H1 5496 3.648 0.351 1.819 + 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1773WAT O 5525 3.980 2.640 3.589 + 1773WAT H1 5526 3.991 2.721 3.539 + 1773WAT H2 5527 0.032 2.594 3.578 + 1774WAT O 5528 3.191 1.509 2.324 + 1774WAT H1 5529 3.167 1.448 2.393 + 1774WAT H2 5530 3.278 1.480 2.294 + 1775WAT O 5531 2.787 1.896 1.759 + 1775WAT H1 5532 2.794 1.925 1.668 + 1775WAT H2 5533 2.870 1.852 1.777 + 1776WAT O 5534 0.294 0.607 2.728 + 1776WAT H1 5535 0.324 0.517 2.744 + 1776WAT H2 5536 0.199 0.597 2.716 + 1777WAT O 5537 1.214 1.637 0.899 + 1777WAT H1 5538 1.221 1.553 0.854 + 1777WAT H2 5539 1.284 1.690 0.860 + 1778WAT O 5540 2.387 3.900 3.388 + 1778WAT H1 5541 2.418 3.953 3.461 + 1778WAT H2 5542 2.420 3.812 3.407 + 1779WAT O 5543 2.010 3.768 3.194 + 1779WAT H1 5544 1.958 3.848 3.196 + 1779WAT H2 5545 2.074 3.783 3.124 + 1780WAT O 5546 2.773 0.099 1.839 + 1780WAT H1 5547 2.687 0.065 1.863 + 1780WAT H2 5548 2.801 0.044 1.766 + 1781WAT O 5549 3.907 0.089 0.504 + 1781WAT H1 5550 3.987 0.096 0.452 + 1781WAT H2 5551 3.923 0.016 0.563 + 1782WAT O 5552 3.823 1.685 3.240 + 1782WAT H1 5553 3.800 1.716 3.153 + 1782WAT H2 5554 3.912 1.651 3.231 + 1783WAT O 5555 3.429 3.376 3.026 + 1783WAT H1 5556 3.385 3.368 3.111 + 1783WAT H2 5557 3.446 3.470 3.017 + 1784WAT O 5558 1.570 0.835 0.175 + 1784WAT H1 5559 1.483 0.796 0.170 + 1784WAT H2 5560 1.580 0.860 0.267 + 1785WAT O 5561 2.628 1.004 0.862 + 1785WAT H1 5562 2.561 0.936 0.852 + 1785WAT H2 5563 2.704 0.970 0.815 + 1786WAT O 5564 2.745 0.046 0.093 + 1786WAT H1 5565 2.722 4.010 0.156 + 1786WAT H2 5566 2.670 0.050 0.033 + 1787WAT O 5567 2.671 0.763 1.104 + 1787WAT H1 5568 2.628 0.681 1.129 + 1787WAT H2 5569 2.604 0.830 1.119 + 1788WAT O 5570 2.965 2.957 3.867 + 1788WAT H1 5571 2.971 2.955 3.963 + 1788WAT H2 5572 3.056 2.964 3.838 + 1789WAT O 5573 2.493 1.401 0.407 + 1789WAT H1 5574 2.534 1.425 0.324 + 1789WAT H2 5575 2.403 1.432 0.399 + 1790WAT O 5576 3.919 2.901 3.724 + 1790WAT H1 5577 3.883 2.813 3.741 + 1790WAT H2 5578 4.013 2.886 3.710 + 1791WAT O 5579 1.692 2.953 3.885 + 1791WAT H1 5580 1.739 3.023 3.840 + 1791WAT H2 5581 1.685 2.883 3.820 + 1792WAT O 5582 1.906 0.606 0.292 + 1792WAT H1 5583 1.859 0.552 0.228 + 1792WAT H2 5584 1.995 0.610 0.258 + 1793WAT O 5585 1.769 3.395 2.215 + 1793WAT H1 5586 1.861 3.417 2.227 + 1793WAT H2 5587 1.751 3.413 2.123 + 1794WAT O 5588 1.251 0.381 2.293 + 1794WAT H1 5589 1.199 0.429 2.357 + 1794WAT H2 5590 1.192 0.370 2.218 + 1795WAT O 5591 3.675 3.770 0.487 + 1795WAT H1 5592 3.706 3.835 0.424 + 1795WAT H2 5593 3.596 3.734 0.447 + 1796WAT O 5594 3.078 1.179 4.018 + 1796WAT H1 5595 3.059 1.133 3.937 + 1796WAT H2 5596 3.146 1.127 0.028 + 1797WAT O 5597 0.373 2.187 0.329 + 1797WAT H1 5598 0.298 2.176 0.387 + 1797WAT H2 5599 0.340 2.164 0.242 + 1798WAT O 5600 3.125 0.782 0.533 + 1798WAT H1 5601 3.133 0.695 0.493 + 1798WAT H2 5602 3.123 0.843 0.460 + 1799WAT O 5603 1.592 1.975 1.625 + 1799WAT H1 5604 1.622 1.900 1.677 + 1799WAT H2 5605 1.521 2.013 1.676 + 1800WAT O 5606 0.001 3.149 0.580 + 1800WAT H1 5607 0.040 3.187 0.659 + 1800WAT H2 5608 0.067 3.162 0.512 + 1801WAT O 5609 2.144 3.874 0.038 + 1801WAT H1 5610 2.072 3.907 4.017 + 1801WAT H2 5611 2.101 3.822 0.107 + 1802WAT O 5612 2.198 3.736 2.830 + 1802WAT H1 5613 2.219 3.751 2.737 + 1802WAT H2 5614 2.117 3.685 2.828 + 1803WAT O 5615 3.152 3.178 1.888 + 1803WAT H1 5616 3.248 3.183 1.888 + 1803WAT H2 5617 3.132 3.099 1.839 + 1804WAT O 5618 3.174 2.641 0.595 + 1804WAT H1 5619 3.215 2.712 0.645 + 1804WAT H2 5620 3.143 2.683 0.515 + 1805WAT O 5621 1.643 1.233 3.112 + 1805WAT H1 5622 1.693 1.168 3.063 + 1805WAT H2 5623 1.580 1.268 3.049 + 1806WAT O 5624 2.122 1.522 1.707 + 1806WAT H1 5625 2.067 1.600 1.718 + 1806WAT H2 5626 2.101 1.491 1.619 + 1807WAT O 5627 2.486 3.629 2.944 + 1807WAT H1 5628 2.411 3.688 2.949 + 1807WAT H2 5629 2.537 3.648 3.023 + 1808WAT O 5630 1.953 1.237 3.745 + 1808WAT H1 5631 2.042 1.274 3.751 + 1808WAT H2 5632 1.896 1.309 3.771 + 1809WAT O 5633 3.743 2.707 3.806 + 1809WAT H1 5634 3.736 2.614 3.826 + 1809WAT H2 5635 3.715 2.751 3.887 + 1810WAT O 5636 3.582 1.942 0.177 + 1810WAT H1 5637 3.678 1.944 0.167 + 1810WAT H2 5638 3.558 1.852 0.157 + 1811WAT O 5639 3.587 3.267 1.029 + 1811WAT H1 5640 3.565 3.270 0.936 + 1811WAT H2 5641 3.680 3.243 1.031 + 1812WAT O 5642 3.229 1.227 3.105 + 1812WAT H1 5643 3.277 1.301 3.144 + 1812WAT H2 5644 3.281 1.150 3.130 + 1813WAT O 5645 2.822 1.885 2.596 + 1813WAT H1 5646 2.844 1.914 2.507 + 1813WAT H2 5647 2.895 1.917 2.650 + 1814WAT O 5648 1.954 3.933 3.883 + 1814WAT H1 5649 1.862 3.915 3.866 + 1814WAT H2 5650 1.987 3.971 3.801 + 1815WAT O 5651 2.296 0.352 3.655 + 1815WAT H1 5652 2.387 0.372 3.677 + 1815WAT H2 5653 2.255 0.333 3.739 + 1816WAT O 5654 0.986 2.392 3.278 + 1816WAT H1 5655 0.942 2.405 3.362 + 1816WAT H2 5656 1.041 2.470 3.267 + 1817WAT O 5657 2.912 0.690 3.732 + 1817WAT H1 5658 2.868 0.646 3.658 + 1817WAT H2 5659 2.998 0.648 3.736 + 1818WAT O 5660 3.881 2.413 0.667 + 1818WAT H1 5661 3.969 2.414 0.705 + 1818WAT H2 5662 3.868 2.502 0.637 + 1819WAT O 5663 3.103 2.965 1.727 + 1819WAT H1 5664 3.039 2.991 1.661 + 1819WAT H2 5665 3.187 2.972 1.682 + 1820WAT O 5666 0.014 3.754 3.806 + 1820WAT H1 5667 0.028 3.802 3.724 + 1820WAT H2 5668 3.951 3.744 3.811 + 1821WAT O 5669 3.896 2.077 3.283 + 1821WAT H1 5670 3.850 2.031 3.213 + 1821WAT H2 5671 3.849 2.052 3.363 + 1822WAT O 5672 1.146 3.865 1.233 + 1822WAT H1 5673 1.216 3.818 1.279 + 1822WAT H2 5674 1.116 3.803 1.166 + 1823WAT O 5675 2.957 1.229 2.767 + 1823WAT H1 5676 2.966 1.280 2.847 + 1823WAT H2 5677 3.028 1.165 2.771 + 1824WAT O 5678 0.781 2.481 0.624 + 1824WAT H1 5679 0.769 2.459 0.532 + 1824WAT H2 5680 0.697 2.463 0.665 + 1825WAT O 5681 2.376 3.115 4.028 + 1825WAT H1 5682 2.353 3.161 3.947 + 1825WAT H2 5683 2.341 3.027 4.016 + 1826WAT O 5684 1.294 0.595 2.576 + 1826WAT H1 5685 1.247 0.675 2.557 + 1826WAT H2 5686 1.369 0.623 2.629 + 1827WAT O 5687 3.620 2.042 3.316 + 1827WAT H1 5688 3.583 2.124 3.284 + 1827WAT H2 5689 3.599 1.978 3.248 + 1828WAT O 5690 0.530 0.298 0.258 + 1828WAT H1 5691 0.568 0.373 0.305 + 1828WAT H2 5692 0.472 0.338 0.193 + 1829WAT O 5693 3.250 0.645 2.350 + 1829WAT H1 5694 3.162 0.679 2.337 + 1829WAT H2 5695 3.237 0.561 2.394 + 1830WAT O 5696 0.410 1.899 3.687 + 1830WAT H1 5697 0.326 1.928 3.721 + 1830WAT H2 5698 0.418 1.808 3.717 + 1831WAT O 5699 0.001 1.868 3.038 + 1831WAT H1 5700 0.014 1.882 3.132 + 1831WAT H2 5701 3.938 1.871 3.027 + 1832WAT O 5702 2.482 0.584 0.077 + 1832WAT H1 5703 2.534 0.585 0.157 + 1832WAT H2 5704 2.443 0.496 0.074 + 1833WAT O 5705 3.132 1.362 3.593 + 1833WAT H1 5706 3.070 1.301 3.552 + 1833WAT H2 5707 3.089 1.388 3.674 + 1834WAT O 5708 3.055 3.482 2.446 + 1834WAT H1 5709 3.151 3.482 2.450 + 1834WAT H2 5710 3.031 3.389 2.443 + 1835WAT O 5711 1.134 0.647 1.908 + 1835WAT H1 5712 1.041 0.627 1.906 + 1835WAT H2 5713 1.177 0.561 1.899 + 1836WAT O 5714 2.613 0.089 2.156 + 1836WAT H1 5715 2.586 0.050 2.073 + 1836WAT H2 5716 2.629 0.014 2.213 + 1837WAT O 5717 1.375 0.569 2.120 + 1837WAT H1 5718 1.354 0.491 2.069 + 1837WAT H2 5719 1.390 0.536 2.208 + 1838WAT O 5720 3.959 1.140 0.336 + 1838WAT H1 5721 3.891 1.203 0.314 + 1838WAT H2 5722 4.008 1.127 0.254 + 1839WAT O 5723 1.873 3.368 3.483 + 1839WAT H1 5724 1.888 3.433 3.415 + 1839WAT H2 5725 1.887 3.284 3.440 + 1840WAT O 5726 3.907 2.284 1.923 + 1840WAT H1 5727 3.898 2.208 1.980 + 1840WAT H2 5728 3.900 2.248 1.834 + 1841WAT O 5729 0.099 3.663 2.017 + 1841WAT H1 5730 0.134 3.585 1.973 + 1841WAT H2 5731 0.110 3.733 1.952 + 1842WAT O 5732 2.190 2.951 1.407 + 1842WAT H1 5733 2.211 3.038 1.441 + 1842WAT H2 5734 2.255 2.936 1.337 + 1843WAT O 5735 3.246 2.766 2.945 + 1843WAT H1 5736 3.176 2.726 2.996 + 1843WAT H2 5737 3.327 2.740 2.989 + 1844WAT O 5738 2.242 2.981 1.836 + 1844WAT H1 5739 2.323 2.953 1.878 + 1844WAT H2 5740 2.240 3.076 1.847 + 1845WAT O 5741 2.814 1.562 3.828 + 1845WAT H1 5742 2.770 1.502 3.767 + 1845WAT H2 5743 2.783 1.535 3.914 + 1846WAT O 5744 2.490 1.542 1.192 + 1846WAT H1 5745 2.580 1.509 1.193 + 1846WAT H2 5746 2.442 1.483 1.249 + 1847WAT O 5747 1.781 0.846 2.125 + 1847WAT H1 5748 1.871 0.873 2.141 + 1847WAT H2 5749 1.777 0.830 2.031 + 1848WAT O 5750 0.271 3.409 3.891 + 1848WAT H1 5751 0.288 3.438 3.981 + 1848WAT H2 5752 0.254 3.315 3.900 + 1849WAT O 5753 3.229 0.207 0.451 + 1849WAT H1 5754 3.288 0.259 0.506 + 1849WAT H2 5755 3.151 0.195 0.505 + 1850WAT O 5756 0.593 2.900 1.474 + 1850WAT H1 5757 0.521 2.867 1.419 + 1850WAT H2 5758 0.605 2.990 1.445 + 1851WAT O 5759 3.900 1.186 2.835 + 1851WAT H1 5760 3.884 1.253 2.769 + 1851WAT H2 5761 3.986 1.207 2.871 + 1852WAT O 5762 3.392 0.793 0.348 + 1852WAT H1 5763 3.362 0.816 0.260 + 1852WAT H2 5764 3.368 0.701 0.358 + 1853WAT O 5765 3.873 3.550 2.042 + 1853WAT H1 5766 3.961 3.583 2.029 + 1853WAT H2 5767 3.831 3.560 1.956 + 1854WAT O 5768 3.761 0.586 1.754 + 1854WAT H1 5769 3.839 0.636 1.780 + 1854WAT H2 5770 3.712 0.573 1.835 + 1855WAT O 5771 3.755 3.884 3.531 + 1855WAT H1 5772 3.803 3.808 3.499 + 1855WAT H2 5773 3.820 3.935 3.578 + 1856WAT O 5774 1.915 3.075 1.480 + 1856WAT H1 5775 1.906 3.036 1.567 + 1856WAT H2 5776 2.005 3.109 1.479 + 1857WAT O 5777 2.035 3.487 0.937 + 1857WAT H1 5778 2.031 3.457 1.027 + 1857WAT H2 5779 2.006 3.412 0.885 + 1858WAT O 5780 3.394 2.132 3.066 + 1858WAT H1 5781 3.482 2.168 3.070 + 1858WAT H2 5782 3.339 2.205 3.037 + 1859WAT O 5783 1.146 0.843 2.530 + 1859WAT H1 5784 1.058 0.807 2.522 + 1859WAT H2 5785 1.148 0.885 2.616 + 1860WAT O 5786 1.832 2.295 3.181 + 1860WAT H1 5787 1.736 2.292 3.188 + 1860WAT H2 5788 1.849 2.291 3.087 + 1861WAT O 5789 2.152 3.985 3.342 + 1861WAT H1 5790 2.234 3.942 3.365 + 1861WAT H2 5791 2.153 3.988 3.246 + 1862WAT O 5792 3.836 1.118 3.128 + 1862WAT H1 5793 3.898 1.163 3.185 + 1862WAT H2 5794 3.889 1.088 3.054 + 1863WAT O 5795 2.667 1.799 0.562 + 1863WAT H1 5796 2.735 1.847 0.610 + 1863WAT H2 5797 2.585 1.839 0.591 + 1864WAT O 5798 2.314 0.791 0.406 + 1864WAT H1 5799 2.244 0.787 0.471 + 1864WAT H2 5800 2.344 0.701 0.396 + 1865WAT O 5801 2.083 0.218 3.364 + 1865WAT H1 5802 2.024 0.201 3.291 + 1865WAT H2 5803 2.128 0.135 3.379 + 1866WAT O 5804 2.662 3.738 0.331 + 1866WAT H1 5805 2.742 3.739 0.384 + 1866WAT H2 5806 2.654 3.827 0.298 + 1867WAT O 5807 2.537 0.514 1.895 + 1867WAT H1 5808 2.619 0.466 1.891 + 1867WAT H2 5809 2.553 0.583 1.959 + 1868WAT O 5810 3.481 1.275 1.256 + 1868WAT H1 5811 3.469 1.181 1.268 + 1868WAT H2 5812 3.519 1.305 1.339 + 1869WAT O 5813 0.192 2.020 2.184 + 1869WAT H1 5814 0.169 2.056 2.270 + 1869WAT H2 5815 0.245 1.943 2.204 + 1870WAT O 5816 0.059 3.878 2.212 + 1870WAT H1 5817 0.057 3.821 2.135 + 1870WAT H2 5818 0.063 3.818 2.286 + 1871WAT O 5819 3.944 3.472 0.408 + 1871WAT H1 5820 4.028 3.446 0.372 + 1871WAT H2 5821 3.957 3.470 0.503 + 1872WAT O 5822 1.656 1.485 2.848 + 1872WAT H1 5823 1.611 1.545 2.907 + 1872WAT H2 5824 1.587 1.444 2.797 + 1873WAT O 5825 3.752 3.614 1.806 + 1873WAT H1 5826 3.795 3.614 1.721 + 1873WAT H2 5827 3.672 3.666 1.792 + 1874WAT O 5828 3.928 2.805 1.119 + 1874WAT H1 5829 3.988 2.731 1.106 + 1874WAT H2 5830 3.845 2.765 1.144 + 1875WAT O 5831 1.087 2.270 1.228 + 1875WAT H1 5832 1.168 2.221 1.243 + 1875WAT H2 5833 1.072 2.316 1.310 + 1876WAT O 5834 2.896 3.081 3.449 + 1876WAT H1 5835 2.970 3.129 3.487 + 1876WAT H2 5836 2.888 3.003 3.503 + 1877WAT O 5837 3.686 1.218 1.562 + 1877WAT H1 5838 3.681 1.297 1.507 + 1877WAT H2 5839 3.609 1.222 1.618 + 1878WAT O 5840 2.468 3.088 2.783 + 1878WAT H1 5841 2.374 3.102 2.795 + 1878WAT H2 5842 2.474 3.010 2.728 + 1879WAT O 5843 1.917 2.897 2.612 + 1879WAT H1 5844 1.911 2.909 2.517 + 1879WAT H2 5845 2.011 2.892 2.629 + 1880WAT O 5846 2.978 3.588 3.922 + 1880WAT H1 5847 3.012 3.661 3.974 + 1880WAT H2 5848 2.906 3.553 3.975 + 1881WAT O 5849 2.781 3.382 0.398 + 1881WAT H1 5850 2.686 3.374 0.412 + 1881WAT H2 5851 2.793 3.359 0.305 + 1882WAT O 5852 0.442 1.214 1.754 + 1882WAT H1 5853 0.519 1.254 1.712 + 1882WAT H2 5854 0.475 1.182 1.838 + 1883WAT O 5855 2.573 1.091 2.461 + 1883WAT H1 5856 2.579 1.155 2.390 + 1883WAT H2 5857 2.482 1.099 2.492 + 1884WAT O 5858 1.692 3.031 0.772 + 1884WAT H1 5859 1.657 2.942 0.772 + 1884WAT H2 5860 1.626 3.083 0.818 + 1885WAT O 5861 2.918 0.866 1.022 + 1885WAT H1 5862 2.906 0.878 0.928 + 1885WAT H2 5863 2.848 0.807 1.048 + 1886WAT O 5864 3.513 2.468 1.075 + 1886WAT H1 5865 3.493 2.394 1.019 + 1886WAT H2 5866 3.607 2.484 1.063 + 1887WAT O 5867 3.478 0.685 1.231 + 1887WAT H1 5868 3.499 0.599 1.268 + 1887WAT H2 5869 3.558 0.712 1.185 + 1888WAT O 5870 3.063 2.848 3.190 + 1888WAT H1 5871 3.094 2.920 3.135 + 1888WAT H2 5872 3.119 2.851 3.267 + 1889WAT O 5873 0.151 3.087 3.169 + 1889WAT H1 5874 0.086 3.127 3.227 + 1889WAT H2 5875 0.236 3.113 3.206 + 1890WAT O 5876 2.921 4.011 0.571 + 1890WAT H1 5877 2.991 3.980 0.514 + 1890WAT H2 5878 2.933 0.074 0.574 + 1891WAT O 5879 1.494 2.534 1.118 + 1891WAT H1 5880 1.547 2.599 1.164 + 1891WAT H2 5881 1.554 2.496 1.054 + 1892WAT O 5882 3.216 0.877 2.875 + 1892WAT H1 5883 3.235 0.967 2.849 + 1892WAT H2 5884 3.123 0.866 2.857 + 1893WAT O 5885 3.737 3.932 2.130 + 1893WAT H1 5886 3.657 3.887 2.103 + 1893WAT H2 5887 3.784 3.948 2.048 + 1894WAT O 5888 0.357 2.692 0.339 + 1894WAT H1 5889 0.437 2.723 0.297 + 1894WAT H2 5890 0.294 2.685 0.267 + 1895WAT O 5891 2.898 0.895 1.662 + 1895WAT H1 5892 2.803 0.889 1.663 + 1895WAT H2 5893 2.916 0.986 1.635 + 1896WAT O 5894 3.883 1.553 1.937 + 1896WAT H1 5895 3.790 1.561 1.957 + 1896WAT H2 5896 3.919 1.503 2.011 + 1897WAT O 5897 2.008 0.780 0.903 + 1897WAT H1 5898 1.990 0.769 0.996 + 1897WAT H2 5899 2.084 0.725 0.887 + 1898WAT O 5900 3.268 0.974 3.509 + 1898WAT H1 5901 3.204 0.957 3.440 + 1898WAT H2 5902 3.320 0.894 3.513 + 1899WAT O 5903 2.702 2.543 0.984 + 1899WAT H1 5904 2.665 2.628 0.963 + 1899WAT H2 5905 2.768 2.527 0.917 + 1900WAT O 5906 0.406 1.209 1.304 + 1900WAT H1 5907 0.426 1.159 1.225 + 1900WAT H2 5908 0.457 1.290 1.295 + 1901WAT O 5909 3.743 3.637 3.231 + 1901WAT H1 5910 3.771 3.546 3.235 + 1901WAT H2 5911 3.806 3.684 3.286 + 1902WAT O 5912 1.405 3.898 2.514 + 1902WAT H1 5913 1.327 3.894 2.569 + 1902WAT H2 5914 1.396 3.981 2.466 + 1903WAT O 5915 0.135 1.462 1.813 + 1903WAT H1 5916 0.065 1.515 1.774 + 1903WAT H2 5917 0.215 1.492 1.770 + 1904WAT O 5918 2.978 3.858 2.085 + 1904WAT H1 5919 3.043 3.849 2.155 + 1904WAT H2 5920 2.938 3.944 2.100 + 1905WAT O 5921 1.971 1.688 0.793 + 1905WAT H1 5922 1.968 1.635 0.713 + 1905WAT H2 5923 1.881 1.718 0.805 + 1906WAT O 5924 0.882 2.684 1.049 + 1906WAT H1 5925 0.875 2.737 1.128 + 1906WAT H2 5926 0.863 2.595 1.079 + 1907WAT O 5927 2.838 0.767 3.326 + 1907WAT H1 5928 2.925 0.728 3.337 + 1907WAT H2 5929 2.842 0.810 3.241 + 1908WAT O 5930 1.812 2.536 3.309 + 1908WAT H1 5931 1.798 2.451 3.267 + 1908WAT H2 5932 1.759 2.597 3.258 + 1909WAT O 5933 1.997 3.545 0.010 + 1909WAT H1 5934 2.018 3.489 0.085 + 1909WAT H2 5935 1.952 3.487 3.981 + 1910WAT O 5936 3.360 3.328 0.401 + 1910WAT H1 5937 3.339 3.421 0.398 + 1910WAT H2 5938 3.340 3.302 0.491 + 1911WAT O 5939 0.581 2.652 3.984 + 1911WAT H1 5940 0.667 2.672 4.021 + 1911WAT H2 5941 0.527 2.729 4.005 + 1912WAT O 5942 3.181 0.128 3.196 + 1912WAT H1 5943 3.235 0.151 3.272 + 1912WAT H2 5944 3.093 0.115 3.233 + 1913WAT O 5945 1.080 3.166 0.628 + 1913WAT H1 5946 1.124 3.221 0.565 + 1913WAT H2 5947 1.056 3.087 0.579 + 1914WAT O 5948 2.899 3.028 1.556 + 1914WAT H1 5949 2.806 3.012 1.572 + 1914WAT H2 5950 2.901 3.082 1.477 + 1915WAT O 5951 0.705 1.963 1.905 + 1915WAT H1 5952 0.621 1.969 1.952 + 1915WAT H2 5953 0.684 1.990 1.816 + 1916WAT O 5954 0.589 2.352 2.295 + 1916WAT H1 5955 0.572 2.377 2.204 + 1916WAT H2 5956 0.505 2.365 2.339 + 1917WAT O 5957 2.788 1.884 3.104 + 1917WAT H1 5958 2.840 1.808 3.077 + 1917WAT H2 5959 2.699 1.850 3.111 + 1918WAT O 5960 1.498 2.799 0.293 + 1918WAT H1 5961 1.534 2.835 0.374 + 1918WAT H2 5962 1.569 2.808 0.229 + 1919WAT O 5963 1.541 3.293 3.015 + 1919WAT H1 5964 1.582 3.373 2.984 + 1919WAT H2 5965 1.613 3.230 3.020 + 1920WAT O 5966 1.900 3.632 3.688 + 1920WAT H1 5967 1.861 3.630 3.776 + 1920WAT H2 5968 1.994 3.640 3.705 + 1921WAT O 5969 3.862 2.213 0.470 + 1921WAT H1 5970 3.867 2.282 0.537 + 1921WAT H2 5971 3.779 2.230 0.424 + 1922WAT O 5972 2.212 3.798 1.730 + 1922WAT H1 5973 2.303 3.817 1.751 + 1922WAT H2 5974 2.206 3.809 1.635 + 1923WAT O 5975 0.970 1.345 1.794 + 1923WAT H1 5976 0.983 1.417 1.856 + 1923WAT H2 5977 1.031 1.363 1.723 + 1924WAT O 5978 0.738 1.433 0.059 + 1924WAT H1 5979 0.653 1.464 0.091 + 1924WAT H2 5980 0.757 1.355 0.111 + 1925WAT O 5981 2.610 2.384 3.193 + 1925WAT H1 5982 2.594 2.463 3.245 + 1925WAT H2 5983 2.664 2.329 3.251 + 1926WAT O 5984 0.365 3.432 3.505 + 1926WAT H1 5985 0.282 3.474 3.528 + 1926WAT H2 5986 0.394 3.479 3.426 + 1927WAT O 5987 3.360 4.007 1.113 + 1927WAT H1 5988 3.331 0.046 1.056 + 1927WAT H2 5989 3.421 0.017 1.174 + 1928WAT O 5990 2.767 1.553 1.553 + 1928WAT H1 5991 2.824 1.579 1.625 + 1928WAT H2 5992 2.740 1.464 1.575 + 1929WAT O 5993 0.357 1.192 0.461 + 1929WAT H1 5994 0.348 1.146 0.544 + 1929WAT H2 5995 0.275 1.240 0.451 + 1930WAT O 5996 0.046 3.501 0.948 + 1930WAT H1 5997 0.061 3.515 1.041 + 1930WAT H2 5998 3.983 3.505 0.939 + 1931WAT O 5999 0.111 1.969 3.771 + 1931WAT H1 6000 0.044 2.032 3.747 + 1931WAT H2 6001 0.100 1.896 3.709 + 1932WAT O 6002 2.893 2.481 3.342 + 1932WAT H1 6003 2.896 2.437 3.426 + 1932WAT H2 6004 2.984 2.501 3.322 + 1933WAT O 6005 3.404 0.770 2.707 + 1933WAT H1 6006 3.474 0.835 2.715 + 1933WAT H2 6007 3.341 0.794 2.776 + 1934WAT O 6008 3.851 3.926 1.886 + 1934WAT H1 6009 3.935 3.892 1.853 + 1934WAT H2 6010 3.809 3.965 1.810 + 1935WAT O 6011 2.517 1.701 1.572 + 1935WAT H1 6012 2.583 1.647 1.528 + 1935WAT H2 6013 2.565 1.780 1.598 + 1936WAT O 6014 1.513 0.772 0.465 + 1936WAT H1 6015 1.606 0.755 0.483 + 1936WAT H2 6016 1.481 0.693 0.423 + 1937WAT O 6017 1.616 2.540 3.014 + 1937WAT H1 6018 1.565 2.542 2.934 + 1937WAT H2 6019 1.642 2.448 3.023 + 1938WAT O 6020 3.540 3.973 2.609 + 1938WAT H1 6021 3.633 3.969 2.583 + 1938WAT H2 6022 3.526 3.891 2.656 + 1939WAT O 6023 2.214 2.362 1.193 + 1939WAT H1 6024 2.237 2.294 1.258 + 1939WAT H2 6025 2.156 2.317 1.132 + 1940WAT O 6026 3.587 1.232 3.700 + 1940WAT H1 6027 3.577 1.152 3.752 + 1940WAT H2 6028 3.512 1.231 3.640 + 1941WAT O 6029 1.102 2.847 2.554 + 1941WAT H1 6030 1.052 2.928 2.544 + 1941WAT H2 6031 1.036 2.778 2.558 + 1942WAT O 6032 3.148 0.923 3.265 + 1942WAT H1 6033 3.234 0.945 3.228 + 1942WAT H2 6034 3.085 0.960 3.204 + 1943WAT O 6035 1.728 0.594 0.498 + 1943WAT H1 6036 1.741 0.500 0.509 + 1943WAT H2 6037 1.775 0.615 0.417 + 1944WAT O 6038 3.900 2.077 1.044 + 1944WAT H1 6039 3.951 2.025 1.105 + 1944WAT H2 6040 3.917 2.168 1.070 + 1945WAT O 6041 0.970 1.344 2.436 + 1945WAT H1 6042 0.985 1.421 2.381 + 1945WAT H2 6043 0.994 1.270 2.380 + 1946WAT O 6044 3.827 0.510 0.540 + 1946WAT H1 6045 3.848 0.443 0.606 + 1946WAT H2 6046 3.912 0.543 0.512 + 1947WAT O 6047 0.671 2.560 0.892 + 1947WAT H1 6048 0.730 2.487 0.910 + 1947WAT H2 6049 0.724 2.638 0.912 + 1948WAT O 6050 1.807 0.249 3.147 + 1948WAT H1 6051 1.745 0.259 3.219 + 1948WAT H2 6052 1.760 0.279 3.070 + 1949WAT O 6053 1.343 1.241 2.786 + 1949WAT H1 6054 1.321 1.271 2.874 + 1949WAT H2 6055 1.262 1.252 2.736 + 1950WAT O 6056 1.991 2.865 3.178 + 1950WAT H1 6057 1.944 2.821 3.108 + 1950WAT H2 6058 2.078 2.882 3.143 + 1951WAT O 6059 1.500 1.294 3.612 + 1951WAT H1 6060 1.441 1.241 3.559 + 1951WAT H2 6061 1.555 1.339 3.548 + 1952WAT O 6062 2.588 0.521 1.217 + 1952WAT H1 6063 2.612 0.534 1.309 + 1952WAT H2 6064 2.625 0.436 1.194 + 1953WAT O 6065 0.371 1.185 2.708 + 1953WAT H1 6066 0.361 1.102 2.754 + 1953WAT H2 6067 0.460 1.214 2.729 + 1954WAT O 6068 0.069 3.188 2.673 + 1954WAT H1 6069 0.116 3.263 2.708 + 1954WAT H2 6070 0.081 3.119 2.739 + 1955WAT O 6071 2.966 3.159 0.518 + 1955WAT H1 6072 2.901 3.198 0.460 + 1955WAT H2 6073 2.918 3.095 0.570 + 1956WAT O 6074 3.524 1.532 3.071 + 1956WAT H1 6075 3.455 1.492 3.125 + 1956WAT H2 6076 3.597 1.471 3.077 + 1957WAT O 6077 2.316 3.056 0.676 + 1957WAT H1 6078 2.313 3.001 0.755 + 1957WAT H2 6079 2.404 3.043 0.641 + 1958WAT O 6080 3.284 3.747 2.461 + 1958WAT H1 6081 3.364 3.779 2.504 + 1958WAT H2 6082 3.292 3.652 2.463 + 1959WAT O 6083 1.990 0.445 2.383 + 1959WAT H1 6084 1.946 0.393 2.316 + 1959WAT H2 6085 2.064 0.486 2.337 + 1960WAT O 6086 0.740 2.066 0.599 + 1960WAT H1 6087 0.675 2.125 0.636 + 1960WAT H2 6088 0.694 2.018 0.531 + 1961WAT O 6089 2.794 0.562 2.872 + 1961WAT H1 6090 2.862 0.602 2.926 + 1961WAT H2 6091 2.835 0.484 2.834 + 1962WAT O 6092 1.035 3.322 0.297 + 1962WAT H1 6093 1.102 3.363 0.352 + 1962WAT H2 6094 0.958 3.378 0.306 + 1963WAT O 6095 0.158 3.037 2.892 + 1963WAT H1 6096 0.149 3.052 2.986 + 1963WAT H2 6097 0.174 2.943 2.885 + 1964WAT O 6098 3.757 3.681 2.258 + 1964WAT H1 6099 3.735 3.769 2.225 + 1964WAT H2 6100 3.811 3.643 2.188 + 1965WAT O 6101 0.730 3.537 3.968 + 1965WAT H1 6102 0.701 3.544 3.877 + 1965WAT H2 6103 0.652 3.506 4.015 + 1966WAT O 6104 0.698 1.985 3.853 + 1966WAT H1 6105 0.696 2.003 3.759 + 1966WAT H2 6106 0.781 1.939 3.866 + 1967WAT O 6107 2.369 1.099 0.027 + 1967WAT H1 6108 2.309 1.095 3.985 + 1967WAT H2 6109 2.398 1.009 0.040 + 1968WAT O 6110 2.312 0.059 3.826 + 1968WAT H1 6111 2.227 0.089 3.795 + 1968WAT H2 6112 2.356 0.028 3.747 + 1969WAT O 6113 2.169 2.213 1.507 + 1969WAT H1 6114 2.255 2.255 1.503 + 1969WAT H2 6115 2.107 2.286 1.515 + 1970WAT O 6116 1.291 2.284 0.676 + 1970WAT H1 6117 1.260 2.371 0.651 + 1970WAT H2 6118 1.248 2.224 0.614 + 1971WAT O 6119 1.441 2.381 2.457 + 1971WAT H1 6120 1.403 2.372 2.545 + 1971WAT H2 6121 1.435 2.474 2.438 + 1972WAT O 6122 3.260 1.121 2.345 + 1972WAT H1 6123 3.287 1.051 2.404 + 1972WAT H2 6124 3.332 1.130 2.283 + 1973WAT O 6125 2.121 2.350 1.885 + 1973WAT H1 6126 2.173 2.271 1.872 + 1973WAT H2 6127 2.143 2.405 1.810 + 1974WAT O 6128 3.097 2.360 3.815 + 1974WAT H1 6129 3.079 2.267 3.834 + 1974WAT H2 6130 3.156 2.387 3.885 + 1975WAT O 6131 1.873 1.406 1.985 + 1975WAT H1 6132 1.845 1.493 2.014 + 1975WAT H2 6133 1.808 1.380 1.920 + 1976WAT O 6134 0.493 3.300 1.792 + 1976WAT H1 6135 0.586 3.282 1.805 + 1976WAT H2 6136 0.486 3.324 1.700 + 1977WAT O 6137 2.397 2.454 3.903 + 1977WAT H1 6138 2.447 2.382 3.864 + 1977WAT H2 6139 2.435 2.465 3.990 + 1978WAT O 6140 2.782 1.021 0.520 + 1978WAT H1 6141 2.821 1.008 0.607 + 1978WAT H2 6142 2.703 0.967 0.521 + 1979WAT O 6143 1.115 2.144 3.520 + 1979WAT H1 6144 1.105 2.055 3.553 + 1979WAT H2 6145 1.099 2.199 3.597 + 1980WAT O 6146 1.444 3.633 2.421 + 1980WAT H1 6147 1.360 3.605 2.385 + 1980WAT H2 6148 1.423 3.709 2.475 + 1981WAT O 6149 1.126 2.117 3.262 + 1981WAT H1 6150 1.050 2.175 3.258 + 1981WAT H2 6151 1.155 2.121 3.353 + 1982WAT O 6152 0.082 0.807 2.365 + 1982WAT H1 6153 0.031 0.888 2.354 + 1982WAT H2 6154 0.023 0.737 2.337 + 1983WAT O 6155 3.763 3.215 1.362 + 1983WAT H1 6156 3.811 3.278 1.308 + 1983WAT H2 6157 3.825 3.145 1.379 + 1984WAT O 6158 3.597 0.466 2.410 + 1984WAT H1 6159 3.566 0.519 2.484 + 1984WAT H2 6160 3.692 0.480 2.409 + 1985WAT O 6161 0.153 3.622 3.211 + 1985WAT H1 6162 0.233 3.582 3.246 + 1985WAT H2 6163 0.173 3.640 3.119 + 1986WAT O 6164 0.627 0.961 0.878 + 1986WAT H1 6165 0.571 0.896 0.835 + 1986WAT H2 6166 0.656 1.019 0.807 + 1987WAT O 6167 2.945 2.078 3.781 + 1987WAT H1 6168 2.877 2.107 3.842 + 1987WAT H2 6169 2.956 1.984 3.799 + 1988WAT O 6170 2.784 2.454 3.955 + 1988WAT H1 6171 2.877 2.471 3.940 + 1988WAT H2 6172 2.758 2.520 4.019 + 1989WAT O 6173 2.626 1.716 2.496 + 1989WAT H1 6174 2.664 1.639 2.539 + 1989WAT H2 6175 2.666 1.791 2.541 + 1990WAT O 6176 2.070 1.621 3.287 + 1990WAT H1 6177 2.055 1.543 3.342 + 1990WAT H2 6178 2.162 1.643 3.301 + 1991WAT O 6179 0.086 2.788 1.960 + 1991WAT H1 6180 0.178 2.793 1.985 + 1991WAT H2 6181 0.049 2.720 2.018 + 1992WAT O 6182 0.961 2.615 0.242 + 1992WAT H1 6183 0.920 2.701 0.255 + 1992WAT H2 6184 0.916 2.579 0.166 + 1993WAT O 6185 0.726 2.159 3.616 + 1993WAT H1 6186 0.634 2.182 3.630 + 1993WAT H2 6187 0.774 2.211 3.680 + 1994WAT O 6188 1.767 0.484 1.042 + 1994WAT H1 6189 1.857 0.457 1.021 + 1994WAT H2 6190 1.766 0.491 1.138 + 1995WAT O 6191 2.337 1.223 3.700 + 1995WAT H1 6192 2.380 1.153 3.749 + 1995WAT H2 6193 2.364 1.303 3.744 + 1996WAT O 6194 0.603 2.699 2.341 + 1996WAT H1 6195 0.567 2.708 2.253 + 1996WAT H2 6196 0.641 2.611 2.343 + 1997WAT O 6197 2.122 3.224 0.583 + 1997WAT H1 6198 2.113 3.206 0.489 + 1997WAT H2 6199 2.183 3.158 0.615 + 1998WAT O 6200 3.791 3.293 3.943 + 1998WAT H1 6201 3.769 3.205 3.911 + 1998WAT H2 6202 3.829 3.337 3.867 + 1999WAT O 6203 0.940 1.402 0.883 + 1999WAT H1 6204 0.933 1.497 0.893 + 1999WAT H2 6205 0.947 1.388 0.788 + 2000WAT O 6206 1.040 3.079 0.883 + 2000WAT H1 6207 1.046 3.163 0.837 + 2000WAT H2 6208 1.071 3.015 0.819 + 2001WAT O 6209 3.197 0.617 3.679 + 2001WAT H1 6210 3.284 0.579 3.666 + 2001WAT H2 6211 3.184 0.673 3.602 + 2002WAT O 6212 0.069 0.031 3.943 + 2002WAT H1 6213 0.158 0.034 3.977 + 2002WAT H2 6214 0.028 3.989 3.989 + 2003WAT O 6215 0.596 1.570 0.787 + 2003WAT H1 6216 0.657 1.508 0.747 + 2003WAT H2 6217 0.558 1.617 0.713 + 2004WAT O 6218 3.565 0.815 3.108 + 2004WAT H1 6219 3.640 0.775 3.065 + 2004WAT H2 6220 3.603 0.878 3.169 + 2005WAT O 6221 1.956 0.730 3.125 + 2005WAT H1 6222 2.032 0.674 3.106 + 2005WAT H2 6223 1.882 0.670 3.123 + 2006WAT O 6224 1.186 2.404 2.253 + 2006WAT H1 6225 1.272 2.395 2.212 + 2006WAT H2 6226 1.128 2.428 2.180 + 2007WAT O 6227 1.427 1.625 1.357 + 2007WAT H1 6228 1.386 1.602 1.274 + 2007WAT H2 6229 1.448 1.541 1.397 + 2008WAT O 6230 3.576 0.237 3.089 + 2008WAT H1 6231 3.535 0.268 3.170 + 2008WAT H2 6232 3.550 0.145 3.082 + 2009WAT O 6233 2.282 2.541 2.137 + 2009WAT H1 6234 2.290 2.620 2.083 + 2009WAT H2 6235 2.189 2.520 2.135 + 2010WAT O 6236 1.605 3.972 2.246 + 2010WAT H1 6237 1.540 0.006 2.224 + 2010WAT H2 6238 1.660 3.965 2.168 + 2011WAT O 6239 3.080 0.646 3.356 + 2011WAT H1 6240 3.130 0.728 3.351 + 2011WAT H2 6241 3.127 0.585 3.300 + 2012WAT O 6242 3.274 0.239 2.010 + 2012WAT H1 6243 3.272 0.333 2.027 + 2012WAT H2 6244 3.186 0.219 1.977 + 2013WAT O 6245 0.275 3.769 0.228 + 2013WAT H1 6246 0.253 3.730 0.144 + 2013WAT H2 6247 0.197 3.757 0.282 + 2014WAT O 6248 1.105 0.613 2.789 + 2014WAT H1 6249 1.128 0.603 2.697 + 2014WAT H2 6250 1.188 0.606 2.836 + 2015WAT O 6251 2.764 3.293 3.101 + 2015WAT H1 6252 2.821 3.366 3.125 + 2015WAT H2 6253 2.696 3.292 3.168 + 2016WAT O 6254 1.710 1.971 2.877 + 2016WAT H1 6255 1.726 2.049 2.824 + 2016WAT H2 6256 1.791 1.958 2.926 + 2017WAT O 6257 2.521 1.052 2.834 + 2017WAT H1 6258 2.577 1.101 2.774 + 2017WAT H2 6259 2.508 0.967 2.791 + 2018WAT O 6260 3.690 3.209 2.682 + 2018WAT H1 6261 3.692 3.240 2.591 + 2018WAT H2 6262 3.636 3.130 2.678 + 2019WAT O 6263 0.737 2.855 2.516 + 2019WAT H1 6264 0.814 2.807 2.547 + 2019WAT H2 6265 0.687 2.791 2.465 + 2020WAT O 6266 2.924 3.190 2.902 + 2020WAT H1 6267 2.875 3.227 2.829 + 2020WAT H2 6268 2.880 3.224 2.980 + 2021WAT O 6269 2.298 3.377 0.715 + 2021WAT H1 6270 2.231 3.333 0.663 + 2021WAT H2 6271 2.315 3.316 0.787 + 2022WAT O 6272 1.467 0.170 1.733 + 2022WAT H1 6273 1.505 0.233 1.672 + 2022WAT H2 6274 1.387 0.140 1.690 + 2023WAT O 6275 2.320 2.298 2.978 + 2023WAT H1 6276 2.372 2.238 2.924 + 2023WAT H2 6277 2.334 2.384 2.938 + 2024WAT O 6278 3.574 3.738 1.195 + 2024WAT H1 6279 3.659 3.778 1.175 + 2024WAT H2 6280 3.526 3.806 1.241 + 2025WAT O 6281 0.444 0.788 0.786 + 2025WAT H1 6282 0.373 0.771 0.848 + 2025WAT H2 6283 0.497 0.709 0.789 + 2026WAT O 6284 0.966 3.080 2.555 + 2026WAT H1 6285 0.876 3.083 2.589 + 2026WAT H2 6286 1.004 3.163 2.583 + 2027WAT O 6287 1.630 1.008 3.659 + 2027WAT H1 6288 1.599 1.098 3.667 + 2027WAT H2 6289 1.720 1.016 3.628 + 2028WAT O 6290 2.357 3.511 1.873 + 2028WAT H1 6291 2.399 3.538 1.791 + 2028WAT H2 6292 2.363 3.416 1.873 + 2029WAT O 6293 1.187 3.120 1.409 + 2029WAT H1 6294 1.145 3.138 1.325 + 2029WAT H2 6295 1.203 3.025 1.407 + 2030WAT O 6296 0.151 1.871 3.308 + 2030WAT H1 6297 0.137 1.957 3.347 + 2030WAT H2 6298 0.245 1.866 3.294 + 2031WAT O 6299 3.275 1.303 0.550 + 2031WAT H1 6300 3.252 1.378 0.606 + 2031WAT H2 6301 3.202 1.296 0.489 + 2032WAT O 6302 2.838 1.622 2.342 + 2032WAT H1 6303 2.771 1.618 2.411 + 2032WAT H2 6304 2.869 1.713 2.345 + 2033WAT O 6305 3.773 1.467 1.711 + 2033WAT H1 6306 3.849 1.439 1.660 + 2033WAT H2 6307 3.810 1.515 1.785 + 2034WAT O 6308 3.768 1.685 3.762 + 2034WAT H1 6309 3.686 1.638 3.778 + 2034WAT H2 6310 3.761 1.715 3.671 + 2035WAT O 6311 1.592 2.046 2.178 + 2035WAT H1 6312 1.602 1.952 2.194 + 2035WAT H2 6313 1.557 2.081 2.261 + 2036WAT O 6314 2.762 2.159 3.967 + 2036WAT H1 6315 2.766 2.249 3.998 + 2036WAT H2 6316 2.680 2.124 4.003 + 2037WAT O 6317 3.830 0.939 1.013 + 2037WAT H1 6318 3.735 0.935 0.998 + 2037WAT H2 6319 3.866 0.875 0.952 + 2038WAT O 6320 0.356 2.218 1.490 + 2038WAT H1 6321 0.281 2.195 1.435 + 2038WAT H2 6322 0.319 2.270 1.562 + 2039WAT O 6323 3.118 3.934 3.878 + 2039WAT H1 6324 3.166 3.855 3.902 + 2039WAT H2 6325 3.034 3.927 3.924 + 2040WAT O 6326 3.706 2.999 0.397 + 2040WAT H1 6327 3.652 2.983 0.474 + 2040WAT H2 6328 3.685 3.088 0.370 + 2041WAT O 6329 0.105 1.437 0.288 + 2041WAT H1 6330 0.036 1.396 0.341 + 2041WAT H2 6331 0.075 1.527 0.275 + 2042WAT O 6332 1.668 1.375 1.800 + 2042WAT H1 6333 1.582 1.376 1.841 + 2042WAT H2 6334 1.670 1.456 1.749 + 2043WAT O 6335 3.406 3.997 3.295 + 2043WAT H1 6336 3.388 3.935 3.365 + 2043WAT H2 6337 3.321 4.013 3.254 + 2044WAT O 6338 3.113 3.517 3.431 + 2044WAT H1 6339 3.057 3.538 3.506 + 2044WAT H2 6340 3.081 3.573 3.360 + 2045WAT O 6341 1.914 1.614 3.544 + 2045WAT H1 6342 1.919 1.671 3.468 + 2045WAT H2 6343 1.837 1.559 3.529 + 2046WAT O 6344 1.615 0.721 0.955 + 2046WAT H1 6345 1.670 0.645 0.975 + 2046WAT H2 6346 1.667 0.770 0.891 + 2047WAT O 6347 2.515 3.516 0.225 + 2047WAT H1 6348 2.428 3.549 0.243 + 2047WAT H2 6349 2.573 3.592 0.233 + 2048WAT O 6350 1.857 2.979 2.368 + 2048WAT H1 6351 1.810 3.022 2.296 + 2048WAT H2 6352 1.939 2.949 2.329 + 2049WAT O 6353 1.834 0.850 1.828 + 2049WAT H1 6354 1.773 0.882 1.762 + 2049WAT H2 6355 1.806 0.760 1.845 + 2050WAT O 6356 3.157 3.098 1.157 + 2050WAT H1 6357 3.146 3.104 1.062 + 2050WAT H2 6358 3.249 3.120 1.171 + 2051WAT O 6359 2.312 3.351 3.366 + 2051WAT H1 6360 2.243 3.405 3.405 + 2051WAT H2 6361 2.265 3.287 3.313 + 2052WAT O 6362 1.256 0.733 1.340 + 2052WAT H1 6363 1.223 0.712 1.427 + 2052WAT H2 6364 1.265 0.829 1.340 + 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0000000000000000000000000000000000000000..ffbf4855590571c73ef51d9d608c7513e1053df6 --- /dev/null +++ b/G3/data/conf_template.pdb @@ -0,0 +1,41 @@ +ATOM 33 C1 OCB B 2 18.896 23.137 19.226 1.00 1.00 C +ATOM 34 C2 OCB B 2 21.342 23.951 20.381 1.00 1.00 C +ATOM 35 C3 OCB X 2 20.136 22.782 18.629 1.00 1.00 C +ATOM 36 C4 OCB X 2 18.931 23.951 20.381 1.00 1.00 C +ATOM 37 C5 OCB X 2 20.136 24.324 20.962 1.00 1.00 C +ATOM 38 C6 OCB X 2 21.377 23.137 19.226 1.00 1.00 C +ATOM 39 O1 OCB X 2 22.507 24.274 21.064 1.00 1.00 O +ATOM 40 C7 OCB X 2 22.744 22.744 18.579 1.00 1.00 C +ATOM 41 C8 OCB X 2 23.163 23.163 21.851 1.00 1.00 C +ATOM 42 O2 OCB X 2 24.274 22.507 21.064 1.00 1.00 O +ATOM 43 C9 OCB X 2 23.951 21.342 20.381 1.00 1.00 C +ATOM 44 C10 OCB X 2 23.137 21.377 19.226 1.00 1.00 C +ATOM 45 C11 OCB X 2 22.782 20.136 18.629 1.00 1.00 C +ATOM 46 C12 OCB X 2 24.324 20.136 20.962 1.00 1.00 C +ATOM 47 C13 OCB X 2 23.137 18.896 19.226 1.00 1.00 C +ATOM 48 C14 OCB X 2 23.951 18.931 20.381 1.00 1.00 C 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220 2.153 3.822 2.964 + 2OCB H57 221 2.175 3.745 2.806 + 2OCB H58 222 2.035 3.705 2.899 + 2OCB H59 223 1.517 4.009 3.152 + 2OCB H60 224 1.687 3.986 3.192 + 2OCB H61 225 1.572 3.844 3.182 + 2OCB H62 226 1.860 0.402 2.761 + 2OCB H63 227 1.861 0.371 2.935 + 2OCB H64 228 1.711 0.337 2.834 + 4.03223 4.03223 4.03223 diff --git a/G3/data/plumed.dat b/G3/data/plumed.dat new file mode 100644 index 0000000000000000000000000000000000000000..085e6724424c862c40e273ad7c5497628778820d --- /dev/null +++ b/G3/data/plumed.dat @@ -0,0 +1,19 @@ +HOST: GROUP ATOMS=33-228 #host atoms +LIGC: GROUP ATOMS=1-6,8-10 #carbon atoms in the ligand + +WHOLEMOLECULES ENTITY0=HOST +FIT_TO_TEMPLATE STRIDE=1 REFERENCE=conf_template.pdb TYPE=OPTIMAL #coordinates alignment +lig: CENTER ATOMS=LIGC + +v1: FIXEDATOM AT=2.0136,2.0136,2.0 #virtual atoms + +cyl: DISTANCE ATOMS=v1,lig COMPONENTS +radius: MATHEVAL ARG=cyl.x,cyl.y FUNC=sqrt(x*x+y*y) PERIODIC=NO + +funnel: MATHEVAL ARG=radius,cyl.z VAR=r,z FUNC=(r+1.0*(-1.2+z))*step(-z+1.)+(r-0.2)*step(z-1.) PERIODIC=NO +UPPER_WALLS AT=0 ARG=funnel KAPPA=2000.0 LABEL=funnelwall #funnel restraint +UPPER_WALLS AT=1.8 ARG=cyl.z KAPPA=4000.0 EXP=2 LABEL=upper_wall #upper limit of cyl.z + +PRINT ARG=* STRIDE=250 FILE=COLVAR FMT=%8.4f + +ENDPLUMED diff --git a/G3/data/run.sh b/G3/data/run.sh new file mode 100644 index 0000000000000000000000000000000000000000..fe0d16d080b2bc194a40536389eea36fb8962d10 --- /dev/null +++ b/G3/data/run.sh @@ -0,0 +1,16 @@ +#!/bin/bash +#SBATCH -J G3 +#SBATCH -o G3.log +#SBATCH -e G3.err +#SBATCH -N 1 +#SBATCH -p gpu +#SBATCH --gres=gpu:1 +#SBATCH --cpus-per-task=1 +#SBATCH --ntasks=4 +##SBATCH -w gpu05 + +module load cuda/11.8 +newdir=./ +nsteps=500000000 # 1us +gmx_mpi mdrun -plumed plumed.dat -nsteps $nsteps -s md.tpr + diff --git a/G3/data/u.gro b/G3/data/u.gro new file mode 100644 index 0000000000000000000000000000000000000000..8c88b5f75f672de83d2485f5fdf8a5c05e558fcd --- /dev/null +++ b/G3/data/u.gro @@ -0,0 +1,6538 @@ +Generic title t= 12112.00000 step= 6056000 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561WAT H1 1890 1.486 2.190 3.673 + 561WAT H2 1891 1.445 2.081 3.577 + 562WAT O 1892 1.253 3.071 2.369 + 562WAT H1 1893 1.344 3.042 2.365 + 562WAT H2 1894 1.239 3.117 2.286 + 563WAT O 1895 2.874 2.292 0.079 + 563WAT H1 1896 2.880 2.356 0.150 + 563WAT H2 1897 2.789 2.250 0.092 + 564WAT O 1898 2.108 3.920 1.656 + 564WAT H1 1899 2.046 3.896 1.725 + 564WAT H2 1900 2.190 3.938 1.702 + 565WAT O 1901 0.405 0.237 3.111 + 565WAT H1 1902 0.485 0.240 3.059 + 565WAT H2 1903 0.351 0.169 3.069 + 566WAT O 1904 0.399 3.704 1.487 + 566WAT H1 1905 0.364 3.790 1.467 + 566WAT H2 1906 0.428 3.710 1.578 + 567WAT O 1907 0.262 1.872 1.035 + 567WAT H1 1908 0.307 1.788 1.028 + 567WAT H2 1909 0.326 1.931 1.074 + 568WAT O 1910 1.507 1.058 3.436 + 568WAT H1 1911 1.461 1.079 3.355 + 568WAT H2 1912 1.453 1.096 3.505 + 569WAT O 1913 1.866 2.897 2.662 + 569WAT H1 1914 1.792 2.837 2.662 + 569WAT H2 1915 1.943 2.841 2.659 + 570WAT O 1916 1.808 3.270 0.103 + 570WAT H1 1917 1.896 3.250 0.136 + 570WAT H2 1918 1.758 3.291 0.182 + 571WAT O 1919 2.676 1.855 2.759 + 571WAT H1 1920 2.737 1.823 2.693 + 571WAT H2 1921 2.630 1.777 2.791 + 572WAT O 1922 0.652 3.884 1.586 + 572WAT H1 1923 0.583 3.934 1.631 + 572WAT H2 1924 0.619 3.872 1.497 + 573WAT O 1925 1.143 3.443 3.720 + 573WAT H1 1926 1.103 3.529 3.738 + 573WAT H2 1927 1.230 3.449 3.760 + 574WAT O 1928 1.702 3.370 0.343 + 574WAT H1 1929 1.765 3.340 0.409 + 574WAT H2 1930 1.617 3.358 0.384 + 575WAT O 1931 0.385 1.449 1.996 + 575WAT H1 1932 0.400 1.498 2.077 + 575WAT H2 1933 0.367 1.360 2.025 + 576WAT O 1934 1.722 3.992 0.066 + 576WAT H1 1935 1.749 0.005 0.146 + 576WAT H2 1936 1.796 4.001 0.007 + 577WAT O 1937 3.317 1.952 2.897 + 577WAT H1 1938 3.408 1.927 2.908 + 577WAT H2 1939 3.269 1.900 2.962 + 578WAT O 1940 1.800 2.175 1.469 + 578WAT H1 1941 1.849 2.127 1.537 + 578WAT H2 1942 1.804 2.266 1.497 + 579WAT O 1943 3.701 2.314 0.505 + 579WAT H1 1944 3.728 2.227 0.476 + 579WAT H2 1945 3.609 2.320 0.479 + 580WAT O 1946 1.110 0.342 0.984 + 580WAT H1 1947 1.178 0.318 1.046 + 580WAT H2 1948 1.152 0.332 0.898 + 581WAT O 1949 3.368 1.473 1.385 + 581WAT H1 1950 3.350 1.423 1.464 + 581WAT H2 1951 3.315 1.430 1.317 + 582WAT O 1952 3.533 2.397 0.852 + 582WAT H1 1953 3.593 2.328 0.879 + 582WAT H2 1954 3.470 2.403 0.925 + 583WAT O 1955 1.741 1.195 3.430 + 583WAT H1 1956 1.668 1.134 3.439 + 583WAT H2 1957 1.717 1.270 3.485 + 584WAT O 1958 1.415 1.035 2.620 + 584WAT H1 1959 1.451 0.966 2.565 + 584WAT H2 1960 1.455 1.022 2.706 + 585WAT O 1961 2.630 3.840 0.455 + 585WAT H1 1962 2.724 3.825 0.461 + 585WAT H2 1963 2.621 3.910 0.390 + 586WAT O 1964 3.789 3.578 3.585 + 586WAT H1 1965 3.709 3.597 3.535 + 586WAT H2 1966 3.845 3.532 3.522 + 587WAT O 1967 2.693 1.228 0.804 + 587WAT H1 1968 2.714 1.135 0.816 + 587WAT H2 1969 2.633 1.229 0.730 + 588WAT O 1970 2.270 1.345 0.434 + 588WAT H1 1971 2.239 1.255 0.424 + 588WAT H2 1972 2.219 1.381 0.506 + 589WAT O 1973 0.415 1.186 1.794 + 589WAT H1 1974 0.467 1.230 1.726 + 589WAT H2 1975 0.391 1.102 1.754 + 590WAT O 1976 3.223 3.478 0.234 + 590WAT H1 1977 3.250 3.428 0.311 + 590WAT H2 1978 3.159 3.422 0.190 + 591WAT O 1979 3.413 3.112 1.082 + 591WAT H1 1980 3.494 3.094 1.036 + 591WAT H2 1981 3.352 3.142 1.014 + 592WAT O 1982 1.166 1.716 0.400 + 592WAT H1 1983 1.207 1.740 0.317 + 592WAT H2 1984 1.130 1.629 0.385 + 593WAT O 1985 1.054 0.539 1.225 + 593WAT H1 1986 1.129 0.590 1.256 + 593WAT H2 1987 1.082 0.503 1.141 + 594WAT O 1988 0.791 1.388 2.378 + 594WAT H1 1989 0.805 1.316 2.317 + 594WAT H2 1990 0.733 1.353 2.445 + 595WAT O 1991 3.277 1.264 2.091 + 595WAT H1 1992 3.361 1.259 2.046 + 595WAT H2 1993 3.234 1.181 2.071 + 596WAT O 1994 3.059 1.055 2.698 + 596WAT H1 1995 2.973 1.036 2.736 + 596WAT H2 1996 3.109 0.974 2.712 + 597WAT O 1997 3.533 4.019 2.269 + 597WAT H1 1998 3.538 3.930 2.233 + 597WAT H2 1999 3.608 0.032 2.229 + 598WAT O 2000 0.192 2.558 3.767 + 598WAT H1 2001 0.233 2.547 3.682 + 598WAT H2 2002 0.231 2.491 3.822 + 599WAT O 2003 0.041 0.249 2.949 + 599WAT H1 2004 0.032 0.298 3.030 + 599WAT H2 2005 0.025 0.313 2.879 + 600WAT O 2006 3.358 0.416 3.960 + 600WAT H1 2007 3.352 0.466 3.878 + 600WAT H2 2008 3.288 0.352 3.955 + 601WAT O 2009 0.249 0.578 2.859 + 601WAT H1 2010 0.294 0.662 2.868 + 601WAT H2 2011 0.157 0.602 2.847 + 602WAT O 2012 1.737 3.549 2.438 + 602WAT H1 2013 1.765 3.639 2.458 + 602WAT H2 2014 1.676 3.527 2.509 + 603WAT O 2015 2.176 3.172 0.983 + 603WAT H1 2016 2.245 3.216 1.034 + 603WAT H2 2017 2.192 3.078 0.997 + 604WAT O 2018 3.296 0.997 2.370 + 604WAT H1 2019 3.321 0.945 2.446 + 604WAT H2 2020 3.214 1.040 2.397 + 605WAT O 2021 0.659 2.074 0.672 + 605WAT H1 2022 0.646 2.168 0.684 + 605WAT H2 2023 0.598 2.050 0.603 + 606WAT O 2024 0.120 1.054 0.683 + 606WAT H1 2025 0.132 0.967 0.646 + 606WAT H2 2026 0.026 1.062 0.695 + 607WAT O 2027 0.028 0.010 3.828 + 607WAT H1 2028 3.988 3.985 3.803 + 607WAT H2 2029 0.092 3.985 3.871 + 608WAT O 2030 2.877 3.773 2.626 + 608WAT H1 2031 2.958 3.813 2.657 + 608WAT H2 2032 2.808 3.817 2.677 + 609WAT O 2033 3.936 1.054 3.085 + 609WAT H1 2034 3.858 1.047 3.030 + 609WAT H2 2035 4.007 1.072 3.023 + 610WAT O 2036 0.292 3.893 0.423 + 610WAT H1 2037 0.377 3.898 0.378 + 610WAT H2 2038 0.312 3.850 0.506 + 611WAT O 2039 3.179 3.380 0.481 + 611WAT H1 2040 3.127 3.301 0.496 + 611WAT H2 2041 3.269 3.349 0.481 + 612WAT O 2042 0.841 2.834 0.507 + 612WAT H1 2043 0.921 2.860 0.461 + 612WAT H2 2044 0.770 2.857 0.446 + 613WAT O 2045 1.031 3.263 0.787 + 613WAT H1 2046 0.992 3.186 0.828 + 613WAT H2 2047 1.106 3.285 0.843 + 614WAT O 2048 0.051 3.346 3.826 + 614WAT H1 2049 0.133 3.300 3.844 + 614WAT H2 2050 0.014 3.301 3.751 + 615WAT O 2051 0.417 0.431 3.944 + 615WAT H1 2052 0.358 0.361 3.918 + 615WAT H2 2053 0.455 0.401 4.027 + 616WAT O 2054 2.136 2.667 3.220 + 616WAT H1 2055 2.083 2.662 3.141 + 616WAT H2 2056 2.153 2.575 3.243 + 617WAT O 2057 4.005 0.663 2.799 + 617WAT H1 2058 3.953 0.583 2.799 + 617WAT H2 2059 4.025 0.679 2.707 + 618WAT O 2060 0.808 1.223 2.157 + 618WAT H1 2061 0.730 1.229 2.103 + 618WAT H2 2062 0.880 1.250 2.099 + 619WAT O 2063 0.823 1.000 0.323 + 619WAT H1 2064 0.868 1.084 0.328 + 619WAT H2 2065 0.739 1.014 0.365 + 620WAT O 2066 1.705 1.930 3.560 + 620WAT H1 2067 1.637 1.986 3.599 + 620WAT H2 2068 1.660 1.883 3.490 + 621WAT O 2069 3.304 3.131 3.827 + 621WAT H1 2070 3.377 3.192 3.819 + 621WAT H2 2071 3.235 3.182 3.868 + 622WAT O 2072 0.522 0.365 1.245 + 622WAT H1 2073 0.573 0.431 1.198 + 622WAT H2 2074 0.432 0.376 1.213 + 623WAT O 2075 3.880 0.826 3.415 + 623WAT H1 2076 3.865 0.787 3.501 + 623WAT H2 2077 3.807 0.887 3.403 + 624WAT O 2078 0.255 1.698 3.341 + 624WAT H1 2079 0.349 1.679 3.345 + 624WAT H2 2080 0.214 1.612 3.337 + 625WAT O 2081 1.163 2.867 0.627 + 625WAT H1 2082 1.256 2.844 0.630 + 625WAT H2 2083 1.117 2.783 0.634 + 626WAT O 2084 0.437 1.652 2.863 + 626WAT H1 2085 0.421 1.732 2.814 + 626WAT H2 2086 0.352 1.629 2.901 + 627WAT O 2087 1.911 1.892 3.057 + 627WAT H1 2088 1.984 1.953 3.045 + 627WAT H2 2089 1.945 1.825 3.116 + 628WAT O 2090 3.438 2.924 3.932 + 628WAT H1 2091 3.397 3.002 3.896 + 628WAT H2 2092 3.485 2.954 4.010 + 629WAT O 2093 1.720 2.984 3.329 + 629WAT H1 2094 1.787 3.008 3.393 + 629WAT H2 2095 1.692 3.068 3.291 + 630WAT O 2096 2.277 3.440 3.694 + 630WAT H1 2097 2.307 3.531 3.694 + 630WAT H2 2098 2.189 3.444 3.732 + 631WAT O 2099 3.542 1.033 1.540 + 631WAT H1 2100 3.555 1.128 1.539 + 631WAT H2 2101 3.618 0.998 1.494 + 632WAT O 2102 2.462 3.198 2.855 + 632WAT H1 2103 2.502 3.215 2.940 + 632WAT H2 2104 2.370 3.224 2.866 + 633WAT O 2105 2.026 2.885 1.914 + 633WAT H1 2106 1.984 2.857 1.833 + 633WAT H2 2107 2.082 2.811 1.939 + 634WAT O 2108 2.617 2.164 2.264 + 634WAT H1 2109 2.596 2.163 2.357 + 634WAT H2 2110 2.637 2.256 2.245 + 635WAT O 2111 1.812 2.902 1.428 + 635WAT H1 2112 1.812 2.809 1.406 + 635WAT H2 2113 1.787 2.946 1.346 + 636WAT O 2114 1.655 1.893 1.160 + 636WAT H1 2115 1.686 1.981 1.180 + 636WAT H2 2116 1.705 1.836 1.219 + 637WAT O 2117 3.448 2.494 2.665 + 637WAT H1 2118 3.425 2.440 2.740 + 637WAT H2 2119 3.515 2.554 2.699 + 638WAT O 2120 2.861 1.433 3.356 + 638WAT H1 2121 2.952 1.426 3.384 + 638WAT H2 2122 2.834 1.343 3.340 + 639WAT O 2123 3.764 0.189 2.676 + 639WAT H1 2124 3.681 0.158 2.712 + 639WAT H2 2125 3.805 0.112 2.638 + 640WAT O 2126 0.140 0.685 2.025 + 640WAT H1 2127 0.103 0.637 1.950 + 640WAT H2 2128 0.220 0.724 1.990 + 641WAT O 2129 2.172 2.084 0.763 + 641WAT H1 2130 2.179 2.000 0.809 + 641WAT H2 2131 2.173 2.060 0.670 + 642WAT O 2132 1.253 0.201 2.528 + 642WAT H1 2133 1.181 0.170 2.473 + 642WAT H2 2134 1.223 0.187 2.618 + 643WAT O 2135 2.977 3.956 3.682 + 643WAT H1 2136 2.976 0.018 3.662 + 643WAT H2 2137 2.897 3.922 3.641 + 644WAT O 2138 1.852 1.272 1.805 + 644WAT H1 2139 1.788 1.206 1.834 + 644WAT H2 2140 1.930 1.253 1.857 + 645WAT O 2141 0.907 3.854 0.056 + 645WAT H1 2142 0.842 3.837 4.019 + 645WAT H2 2143 0.878 3.801 0.130 + 646WAT O 2144 2.514 0.456 0.595 + 646WAT H1 2145 2.465 0.495 0.668 + 646WAT H2 2146 2.585 0.519 0.578 + 647WAT O 2147 3.404 1.240 3.928 + 647WAT H1 2148 3.392 1.323 3.881 + 647WAT H2 2149 3.428 1.177 3.860 + 648WAT O 2150 0.744 2.847 2.200 + 648WAT H1 2151 0.835 2.825 2.220 + 648WAT H2 2152 0.732 2.935 2.235 + 649WAT O 2153 2.613 1.926 3.336 + 649WAT H1 2154 2.598 1.885 3.250 + 649WAT H2 2155 2.617 1.852 3.396 + 650WAT O 2156 0.146 2.322 0.018 + 650WAT H1 2157 0.220 2.300 0.074 + 650WAT H2 2158 0.136 2.416 0.027 + 651WAT O 2159 0.180 1.387 3.267 + 651WAT H1 2160 0.141 1.363 3.183 + 651WAT H2 2161 0.274 1.384 3.251 + 652WAT O 2162 1.268 1.836 3.187 + 652WAT H1 2163 1.316 1.855 3.106 + 652WAT H2 2164 1.246 1.922 3.222 + 653WAT O 2165 2.972 1.790 0.016 + 653WAT H1 2166 2.890 1.757 0.051 + 653WAT H2 2167 2.956 1.800 3.954 + 654WAT O 2168 0.751 2.565 3.894 + 654WAT H1 2169 0.737 2.658 3.876 + 654WAT H2 2170 0.817 2.563 3.963 + 655WAT O 2171 0.576 1.090 3.156 + 655WAT H1 2172 0.503 1.152 3.155 + 655WAT H2 2173 0.573 1.051 3.243 + 656WAT O 2174 0.709 3.925 3.203 + 656WAT H1 2175 0.780 3.988 3.200 + 656WAT H2 2176 0.653 3.955 3.275 + 657WAT O 2177 0.572 3.594 1.254 + 657WAT H1 2178 0.513 3.645 1.310 + 657WAT H2 2179 0.526 3.586 1.171 + 658WAT O 2180 3.394 3.261 2.385 + 658WAT H1 2181 3.459 3.329 2.407 + 658WAT H2 2182 3.373 3.279 2.293 + 659WAT O 2183 3.533 3.580 3.498 + 659WAT H1 2184 3.495 3.648 3.443 + 659WAT H2 2185 3.479 3.503 3.482 + 660WAT O 2186 2.231 2.372 1.863 + 660WAT H1 2187 2.212 2.279 1.875 + 660WAT H2 2188 2.195 2.394 1.777 + 661WAT O 2189 2.937 0.259 0.594 + 661WAT H1 2190 2.995 0.328 0.560 + 661WAT H2 2191 2.935 0.193 0.525 + 662WAT O 2192 3.423 2.710 1.620 + 662WAT H1 2193 3.495 2.684 1.677 + 662WAT H2 2194 3.417 2.805 1.630 + 663WAT O 2195 3.596 0.453 3.676 + 663WAT H1 2196 3.603 0.504 3.757 + 663WAT H2 2197 3.579 0.364 3.705 + 664WAT O 2198 2.932 2.074 1.229 + 664WAT H1 2199 3.008 2.019 1.210 + 664WAT H2 2200 2.948 2.108 1.317 + 665WAT O 2201 1.355 2.771 3.665 + 665WAT H1 2202 1.329 2.846 3.719 + 665WAT H2 2203 1.272 2.726 3.646 + 666WAT O 2204 3.501 3.224 1.826 + 666WAT H1 2205 3.587 3.185 1.812 + 666WAT H2 2206 3.454 3.160 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0.938 3.526 + 676WAT H2 2236 3.141 1.030 3.629 + 677WAT O 2237 2.444 2.936 2.945 + 677WAT H1 2238 2.357 2.933 2.985 + 677WAT H2 2239 2.450 3.024 2.907 + 678WAT O 2240 1.981 3.169 1.224 + 678WAT H1 2241 1.895 3.211 1.220 + 678WAT H2 2242 2.011 3.165 1.133 + 679WAT O 2243 3.791 1.107 0.537 + 679WAT H1 2244 3.701 1.107 0.570 + 679WAT H2 2245 3.812 1.015 0.524 + 680WAT O 2246 3.607 1.539 2.670 + 680WAT H1 2247 3.692 1.552 2.711 + 680WAT H2 2248 3.546 1.530 2.743 + 681WAT O 2249 3.831 3.418 2.703 + 681WAT H1 2250 3.763 3.449 2.643 + 681WAT H2 2251 3.886 3.361 2.649 + 682WAT O 2252 2.443 0.876 2.289 + 682WAT H1 2253 2.349 0.858 2.283 + 682WAT H2 2254 2.485 0.794 2.263 + 683WAT O 2255 1.481 0.308 0.664 + 683WAT H1 2256 1.568 0.274 0.685 + 683WAT H2 2257 1.431 0.297 0.746 + 684WAT O 2258 0.411 3.743 2.278 + 684WAT H1 2259 0.365 3.782 2.353 + 684WAT H2 2260 0.426 3.816 2.219 + 685WAT O 2261 0.055 2.597 3.254 + 685WAT H1 2262 0.015 2.548 3.326 + 685WAT H2 2263 0.126 2.541 3.223 + 686WAT O 2264 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0.958 1.070 + 1749WAT H2 5455 1.392 0.946 1.120 + 1750WAT O 5456 0.093 2.807 0.325 + 1750WAT H1 5457 0.049 2.861 0.392 + 1750WAT H2 5458 0.022 2.779 0.268 + 1751WAT O 5459 2.557 0.650 2.205 + 1751WAT H1 5460 2.497 0.578 2.186 + 1751WAT H2 5461 2.629 0.609 2.253 + 1752WAT O 5462 3.510 0.077 2.756 + 1752WAT H1 5463 3.427 0.111 2.722 + 1752WAT H2 5464 3.503 0.088 2.851 + 1753WAT O 5465 1.657 3.033 1.752 + 1753WAT H1 5466 1.606 2.953 1.761 + 1753WAT H2 5467 1.637 3.064 1.663 + 1754WAT O 5468 2.598 1.569 2.609 + 1754WAT H1 5469 2.683 1.541 2.645 + 1754WAT H2 5470 2.621 1.625 2.535 + 1755WAT O 5471 0.422 1.074 1.433 + 1755WAT H1 5472 0.350 1.037 1.484 + 1755WAT H2 5473 0.412 1.035 1.346 + 1756WAT O 5474 1.031 0.137 3.944 + 1756WAT H1 5475 1.088 0.073 3.900 + 1756WAT H2 5476 1.017 0.100 4.031 + 1757WAT O 5477 2.352 3.318 1.117 + 1757WAT H1 5478 2.412 3.379 1.074 + 1757WAT H2 5479 2.323 3.365 1.194 + 1758WAT O 5480 0.906 2.360 1.533 + 1758WAT H1 5481 0.833 2.316 1.491 + 1758WAT H2 5482 0.979 2.298 1.526 + 1759WAT O 5483 3.379 0.259 1.439 + 1759WAT H1 5484 3.328 0.206 1.499 + 1759WAT H2 5485 3.470 0.235 1.457 + 1760WAT O 5486 2.116 1.175 0.614 + 1760WAT H1 5487 2.031 1.210 0.641 + 1760WAT H2 5488 2.171 1.184 0.692 + 1761WAT O 5489 0.012 0.667 0.413 + 1761WAT H1 5490 4.014 0.577 0.398 + 1761WAT H2 5491 0.007 0.708 0.326 + 1762WAT O 5492 2.670 3.163 1.061 + 1762WAT H1 5493 2.707 3.232 1.116 + 1762WAT H2 5494 2.720 3.085 1.083 + 1763WAT O 5495 2.824 3.768 3.258 + 1763WAT H1 5496 2.809 3.748 3.166 + 1763WAT H2 5497 2.744 3.739 3.302 + 1764WAT O 5498 3.731 3.589 0.068 + 1764WAT H1 5499 3.642 3.573 0.099 + 1764WAT H2 5500 3.780 3.614 0.146 + 1765WAT O 5501 3.239 1.590 0.114 + 1765WAT H1 5502 3.307 1.611 0.051 + 1765WAT H2 5503 3.171 1.655 0.098 + 1766WAT O 5504 0.832 3.424 0.148 + 1766WAT H1 5505 0.923 3.394 0.141 + 1766WAT H2 5506 0.781 3.355 0.105 + 1767WAT O 5507 1.462 3.780 0.708 + 1767WAT H1 5508 1.490 3.779 0.616 + 1767WAT H2 5509 1.474 3.689 0.737 + 1768WAT O 5510 0.107 1.939 2.845 + 1768WAT H1 5511 0.059 2.001 2.789 + 1768WAT H2 5512 0.058 1.939 2.927 + 1769WAT O 5513 3.944 1.521 0.332 + 1769WAT H1 5514 3.946 1.442 0.278 + 1769WAT H2 5515 4.023 1.570 0.308 + 1770WAT O 5516 0.213 1.535 3.806 + 1770WAT H1 5517 0.228 1.478 3.731 + 1770WAT H2 5518 0.119 1.525 3.826 + 1771WAT O 5519 3.548 3.928 2.525 + 1771WAT H1 5520 3.545 3.987 2.449 + 1771WAT H2 5521 3.550 3.986 2.601 + 1772WAT O 5522 0.969 1.668 1.535 + 1772WAT H1 5523 0.895 1.721 1.564 + 1772WAT H2 5524 0.986 1.609 1.609 + 1773WAT O 5525 3.705 2.637 2.634 + 1773WAT H1 5526 3.770 2.569 2.618 + 1773WAT H2 5527 3.677 2.664 2.547 + 1774WAT O 5528 3.390 3.770 2.736 + 1774WAT H1 5529 3.432 3.778 2.821 + 1774WAT H2 5530 3.444 3.823 2.677 + 1775WAT O 5531 2.169 1.798 2.819 + 1775WAT H1 5532 2.231 1.728 2.799 + 1775WAT H2 5533 2.096 1.753 2.862 + 1776WAT O 5534 2.491 2.605 2.264 + 1776WAT H1 5535 2.492 2.697 2.288 + 1776WAT H2 5536 2.457 2.561 2.342 + 1777WAT O 5537 0.371 0.860 3.716 + 1777WAT H1 5538 0.294 0.803 3.718 + 1777WAT H2 5539 0.335 0.948 3.703 + 1778WAT O 5540 0.260 0.468 3.147 + 1778WAT H1 5541 0.314 0.392 3.126 + 1778WAT H2 5542 0.251 0.514 3.063 + 1779WAT O 5543 1.371 1.302 3.258 + 1779WAT H1 5544 1.381 1.391 3.224 + 1779WAT H2 5545 1.278 1.294 3.279 + 1780WAT O 5546 1.126 0.987 0.095 + 1780WAT H1 5547 1.155 1.039 0.170 + 1780WAT H2 5548 1.040 0.953 0.120 + 1781WAT O 5549 0.781 2.552 0.487 + 1781WAT H1 5550 0.711 2.585 0.543 + 1781WAT H2 5551 0.832 2.629 0.464 + 1782WAT O 5552 3.215 2.219 3.683 + 1782WAT H1 5553 3.145 2.254 3.628 + 1782WAT H2 5554 3.189 2.128 3.698 + 1783WAT O 5555 0.059 1.923 3.701 + 1783WAT H1 5556 0.110 1.949 3.625 + 1783WAT H2 5557 0.113 1.947 3.776 + 1784WAT O 5558 2.073 2.729 2.721 + 1784WAT H1 5559 2.068 2.636 2.739 + 1784WAT H2 5560 2.112 2.735 2.634 + 1785WAT O 5561 3.771 2.565 0.353 + 1785WAT H1 5562 3.759 2.471 0.364 + 1785WAT H2 5563 3.745 2.582 0.263 + 1786WAT O 5564 3.931 0.704 2.299 + 1786WAT H1 5565 3.850 0.746 2.270 + 1786WAT H2 5566 3.962 0.655 2.222 + 1787WAT O 5567 3.085 2.250 0.690 + 1787WAT H1 5568 3.128 2.261 0.775 + 1787WAT H2 5569 3.130 2.312 0.632 + 1788WAT O 5570 2.074 3.125 1.990 + 1788WAT H1 5571 2.042 3.042 1.955 + 1788WAT H2 5572 2.161 3.104 2.025 + 1789WAT O 5573 1.453 1.985 0.216 + 1789WAT H1 5574 1.507 1.959 0.141 + 1789WAT H2 5575 1.364 1.985 0.181 + 1790WAT O 5576 2.892 0.794 1.026 + 1790WAT H1 5577 2.921 0.767 0.939 + 1790WAT H2 5578 2.810 0.841 1.011 + 1791WAT O 5579 1.940 2.268 0.815 + 1791WAT H1 5580 1.859 2.219 0.830 + 1791WAT H2 5581 2.009 2.211 0.848 + 1792WAT O 5582 0.036 2.125 3.905 + 1792WAT H1 5583 0.107 2.061 3.909 + 1792WAT H2 5584 0.071 2.203 3.949 + 1793WAT O 5585 0.368 2.561 2.931 + 1793WAT H1 5586 0.434 2.614 2.975 + 1793WAT H2 5587 0.367 2.594 2.841 + 1794WAT O 5588 3.261 1.903 2.232 + 1794WAT H1 5589 3.293 1.926 2.145 + 1794WAT H2 5590 3.282 1.811 2.242 + 1795WAT O 5591 1.337 3.805 3.008 + 1795WAT H1 5592 1.313 3.765 3.092 + 1795WAT H2 5593 1.416 3.758 2.981 + 1796WAT O 5594 3.690 1.655 3.443 + 1796WAT H1 5595 3.751 1.725 3.467 + 1796WAT H2 5596 3.736 1.575 3.468 + 1797WAT O 5597 0.731 0.895 2.520 + 1797WAT H1 5598 0.797 0.825 2.514 + 1797WAT H2 5599 0.648 0.851 2.504 + 1798WAT O 5600 1.817 1.318 1.186 + 1798WAT H1 5601 1.755 1.377 1.144 + 1798WAT H2 5602 1.787 1.311 1.276 + 1799WAT O 5603 1.350 0.722 2.370 + 1799WAT H1 5604 1.288 0.697 2.302 + 1799WAT H2 5605 1.380 0.638 2.406 + 1800WAT O 5606 3.284 2.222 3.190 + 1800WAT H1 5607 3.365 2.217 3.241 + 1800WAT H2 5608 3.249 2.133 3.191 + 1801WAT O 5609 2.476 2.379 3.343 + 1801WAT H1 5610 2.426 2.378 3.261 + 1801WAT H2 5611 2.512 2.290 3.350 + 1802WAT O 5612 3.740 0.939 1.132 + 1802WAT H1 5613 3.693 1.014 1.170 + 1802WAT H2 5614 3.795 0.977 1.064 + 1803WAT O 5615 0.859 3.662 1.227 + 1803WAT H1 5616 0.888 3.714 1.151 + 1803WAT H2 5617 0.765 3.653 1.215 + 1804WAT O 5618 0.557 3.041 0.199 + 1804WAT H1 5619 0.466 3.013 0.196 + 1804WAT H2 5620 0.582 3.032 0.291 + 1805WAT O 5621 1.871 2.629 2.237 + 1805WAT H1 5622 1.790 2.652 2.190 + 1805WAT H2 5623 1.855 2.541 2.271 + 1806WAT O 5624 0.836 3.521 3.749 + 1806WAT H1 5625 0.885 3.579 3.691 + 1806WAT H2 5626 0.764 3.488 3.695 + 1807WAT O 5627 2.508 1.666 2.865 + 1807WAT H1 5628 2.529 1.641 2.776 + 1807WAT H2 5629 2.471 1.587 2.904 + 1808WAT O 5630 1.778 2.969 2.402 + 1808WAT H1 5631 1.830 2.953 2.482 + 1808WAT H2 5632 1.844 2.985 2.334 + 1809WAT O 5633 0.582 0.514 1.005 + 1809WAT H1 5634 0.537 0.556 0.933 + 1809WAT H2 5635 0.665 0.483 0.968 + 1810WAT O 5636 0.182 0.005 3.416 + 1810WAT H1 5637 0.236 0.025 3.493 + 1810WAT H2 5638 0.161 0.090 3.379 + 1811WAT O 5639 1.161 0.474 1.621 + 1811WAT H1 5640 1.110 0.496 1.543 + 1811WAT H2 5641 1.192 0.558 1.655 + 1812WAT O 5642 2.184 2.306 1.001 + 1812WAT H1 5643 2.191 2.234 0.939 + 1812WAT H2 5644 2.265 2.355 0.992 + 1813WAT O 5645 3.087 1.413 0.472 + 1813WAT H1 5646 3.158 1.351 0.452 + 1813WAT H2 5647 3.130 1.498 0.475 + 1814WAT O 5648 3.713 3.070 3.609 + 1814WAT H1 5649 3.688 2.986 3.570 + 1814WAT H2 5650 3.759 3.116 3.539 + 1815WAT O 5651 2.617 2.800 1.986 + 1815WAT H1 5652 2.540 2.743 1.994 + 1815WAT H2 5653 2.663 2.767 1.909 + 1816WAT O 5654 0.475 2.079 2.211 + 1816WAT H1 5655 0.470 2.170 2.183 + 1816WAT H2 5656 0.542 2.078 2.279 + 1817WAT O 5657 3.241 1.689 1.942 + 1817WAT H1 5658 3.325 1.648 1.965 + 1817WAT H2 5659 3.179 1.652 2.005 + 1818WAT O 5660 1.592 2.881 2.928 + 1818WAT H1 5661 1.582 2.898 2.834 + 1818WAT H2 5662 1.502 2.877 2.961 + 1819WAT O 5663 2.710 1.504 1.902 + 1819WAT H1 5664 2.734 1.414 1.922 + 1819WAT H2 5665 2.790 1.555 1.917 + 1820WAT O 5666 2.099 3.485 0.506 + 1820WAT H1 5667 2.152 3.530 0.440 + 1820WAT H2 5668 2.162 3.461 0.574 + 1821WAT O 5669 0.056 0.342 2.051 + 1821WAT H1 5670 0.001 0.271 2.018 + 1821WAT H2 5671 4.027 0.402 2.093 + 1822WAT O 5672 1.901 2.222 1.999 + 1822WAT H1 5673 1.855 2.138 1.996 + 1822WAT H2 5674 1.968 2.210 2.067 + 1823WAT O 5675 2.032 0.887 0.795 + 1823WAT H1 5676 2.101 0.934 0.749 + 1823WAT H2 5677 2.075 0.851 0.873 + 1824WAT O 5678 2.715 4.008 1.387 + 1824WAT H1 5679 2.650 3.976 1.451 + 1824WAT H2 5680 2.692 0.067 1.374 + 1825WAT O 5681 1.005 2.035 1.723 + 1825WAT H1 5682 1.073 2.006 1.661 + 1825WAT H2 5683 1.005 1.968 1.792 + 1826WAT O 5684 2.763 2.498 0.261 + 1826WAT H1 5685 2.747 2.471 0.352 + 1826WAT H2 5686 2.800 2.586 0.268 + 1827WAT O 5687 3.528 1.160 0.362 + 1827WAT H1 5688 3.530 1.255 0.367 + 1827WAT H2 5689 3.540 1.131 0.452 + 1828WAT O 5690 1.020 2.202 0.301 + 1828WAT H1 5691 1.112 2.207 0.277 + 1828WAT H2 5692 1.008 2.274 0.363 + 1829WAT O 5693 1.104 0.242 1.790 + 1829WAT H1 5694 1.110 0.326 1.745 + 1829WAT H2 5695 1.108 0.177 1.719 + 1830WAT O 5696 2.878 3.622 0.008 + 1830WAT H1 5697 2.966 3.660 0.012 + 1830WAT H2 5698 2.875 3.563 0.083 + 1831WAT O 5699 0.008 0.399 1.623 + 1831WAT H1 5700 3.960 0.426 1.666 + 1831WAT H2 5701 4.017 0.393 1.530 + 1832WAT O 5702 1.489 2.868 1.460 + 1832WAT H1 5703 1.401 2.891 1.490 + 1832WAT H2 5704 1.532 2.952 1.448 + 1833WAT O 5705 3.572 2.138 2.383 + 1833WAT H1 5706 3.536 2.133 2.295 + 1833WAT H2 5707 3.540 2.221 2.417 + 1834WAT O 5708 0.842 0.097 0.832 + 1834WAT H1 5709 0.936 0.102 0.814 + 1834WAT H2 5710 0.830 0.010 0.870 + 1835WAT O 5711 2.815 3.209 2.921 + 1835WAT H1 5712 2.781 3.284 2.870 + 1835WAT H2 5713 2.765 3.211 3.002 + 1836WAT O 5714 1.353 0.831 0.809 + 1836WAT H1 5715 1.434 0.830 0.859 + 1836WAT H2 5716 1.348 0.743 0.770 + 1837WAT O 5717 0.372 1.281 2.337 + 1837WAT H1 5718 0.458 1.241 2.348 + 1837WAT H2 5719 0.337 1.239 2.258 + 1838WAT O 5720 1.242 1.938 0.026 + 1838WAT H1 5721 1.173 1.873 0.019 + 1838WAT H2 5722 1.299 1.921 3.983 + 1839WAT O 5723 0.458 0.744 0.850 + 1839WAT H1 5724 0.501 0.768 0.768 + 1839WAT H2 5725 0.408 0.822 0.875 + 1840WAT O 5726 2.333 3.615 0.287 + 1840WAT H1 5727 2.259 3.675 0.294 + 1840WAT H2 5728 2.298 3.538 0.244 + 1841WAT O 5729 1.827 0.962 2.092 + 1841WAT H1 5730 1.844 0.901 2.163 + 1841WAT H2 5731 1.854 0.915 2.013 + 1842WAT O 5732 1.994 1.541 1.168 + 1842WAT H1 5733 1.933 1.469 1.153 + 1842WAT H2 5734 1.944 1.603 1.222 + 1843WAT O 5735 1.289 0.400 0.253 + 1843WAT H1 5736 1.312 0.457 0.180 + 1843WAT H2 5737 1.348 0.427 0.324 + 1844WAT O 5738 3.334 0.015 1.923 + 1844WAT H1 5739 3.359 3.975 1.867 + 1844WAT H2 5740 3.299 4.006 2.002 + 1845WAT O 5741 3.214 0.997 2.052 + 1845WAT H1 5742 3.264 0.925 2.091 + 1845WAT H2 5743 3.132 0.998 2.100 + 1846WAT O 5744 0.245 0.217 1.632 + 1846WAT H1 5745 0.156 0.251 1.642 + 1846WAT H2 5746 0.256 0.205 1.537 + 1847WAT O 5747 0.694 0.470 3.831 + 1847WAT H1 5748 0.620 0.487 3.890 + 1847WAT H2 5749 0.678 0.527 3.756 + 1848WAT O 5750 2.033 4.017 0.206 + 1848WAT H1 5751 1.999 0.002 0.118 + 1848WAT H2 5752 2.128 4.014 0.196 + 1849WAT O 5753 2.034 1.596 2.308 + 1849WAT H1 5754 2.100 1.653 2.347 + 1849WAT H2 5755 2.066 1.507 2.324 + 1850WAT O 5756 0.214 3.383 2.061 + 1850WAT H1 5757 0.167 3.447 2.115 + 1850WAT H2 5758 0.208 3.416 1.972 + 1851WAT O 5759 1.180 4.025 0.372 + 1851WAT H1 5760 1.136 0.040 0.443 + 1851WAT H2 5761 1.264 0.036 0.363 + 1852WAT O 5762 0.026 2.126 3.396 + 1852WAT H1 5763 0.103 2.082 3.431 + 1852WAT H2 5764 3.988 2.105 3.458 + 1853WAT O 5765 1.562 2.121 2.409 + 1853WAT H1 5766 1.653 2.131 2.438 + 1853WAT H2 5767 1.565 2.139 2.315 + 1854WAT O 5768 1.868 3.241 2.136 + 1854WAT H1 5769 1.802 3.174 2.155 + 1854WAT H2 5770 1.930 3.197 2.078 + 1855WAT O 5771 3.537 2.046 1.181 + 1855WAT H1 5772 3.584 1.963 1.171 + 1855WAT H2 5773 3.494 2.038 1.267 + 1856WAT O 5774 2.252 0.886 0.596 + 1856WAT H1 5775 2.273 0.927 0.513 + 1856WAT H2 5776 2.228 0.796 0.573 + 1857WAT O 5777 2.202 2.494 2.281 + 1857WAT H1 5778 2.192 2.548 2.360 + 1857WAT H2 5779 2.185 2.554 2.209 + 1858WAT O 5780 2.873 1.351 1.334 + 1858WAT H1 5781 2.790 1.366 1.379 + 1858WAT H2 5782 2.854 1.368 1.241 + 1859WAT O 5783 0.676 0.575 3.597 + 1859WAT H1 5784 0.616 0.546 3.529 + 1859WAT H2 5785 0.693 0.667 3.577 + 1860WAT O 5786 0.034 3.841 0.391 + 1860WAT H1 5787 0.121 3.879 0.380 + 1860WAT H2 5788 0.026 3.825 0.485 + 1861WAT O 5789 2.212 2.980 3.023 + 1861WAT H1 5790 2.128 2.954 2.984 + 1861WAT H2 5791 2.191 3.058 3.075 + 1862WAT O 5792 3.000 3.184 0.584 + 1862WAT H1 5793 2.967 3.102 0.548 + 1862WAT H2 5794 2.929 3.247 0.569 + 1863WAT O 5795 2.092 2.319 3.947 + 1863WAT H1 5796 2.088 2.337 0.009 + 1863WAT H2 5797 2.074 2.404 3.906 + 1864WAT O 5798 0.222 3.500 0.702 + 1864WAT H1 5799 0.274 3.490 0.782 + 1864WAT H2 5800 0.201 3.411 0.675 + 1865WAT O 5801 0.926 1.387 3.951 + 1865WAT H1 5802 0.903 1.309 4.001 + 1865WAT H2 5803 1.013 1.411 3.982 + 1866WAT O 5804 2.125 2.244 3.078 + 1866WAT H1 5805 2.080 2.215 2.998 + 1866WAT H2 5806 2.079 2.200 3.149 + 1867WAT O 5807 1.417 1.533 3.937 + 1867WAT H1 5808 1.459 1.448 3.950 + 1867WAT H2 5809 1.440 1.583 4.015 + 1868WAT O 5810 2.903 1.252 3.793 + 1868WAT H1 5811 2.879 1.178 3.737 + 1868WAT H2 5812 2.892 1.329 3.737 + 1869WAT O 5813 3.422 0.891 0.874 + 1869WAT H1 5814 3.396 0.811 0.829 + 1869WAT H2 5815 3.483 0.863 0.942 + 1870WAT O 5816 1.461 2.062 3.174 + 1870WAT H1 5817 1.482 2.030 3.086 + 1870WAT H2 5818 1.545 2.062 3.220 + 1871WAT O 5819 2.237 3.834 3.915 + 1871WAT H1 5820 2.324 3.808 3.886 + 1871WAT H2 5821 2.246 3.849 4.009 + 1872WAT O 5822 1.267 3.894 0.023 + 1872WAT H1 5823 1.229 3.857 0.102 + 1872WAT H2 5824 1.192 3.914 3.999 + 1873WAT O 5825 1.033 0.536 3.490 + 1873WAT H1 5826 0.971 0.479 3.537 + 1873WAT H2 5827 0.977 0.595 3.440 + 1874WAT O 5828 3.240 0.640 1.641 + 1874WAT H1 5829 3.229 0.591 1.560 + 1874WAT H2 5830 3.226 0.732 1.616 + 1875WAT O 5831 3.898 3.788 0.855 + 1875WAT H1 5832 3.804 3.802 0.841 + 1875WAT H2 5833 3.906 3.695 0.875 + 1876WAT O 5834 2.245 1.560 2.712 + 1876WAT H1 5835 2.161 1.515 2.716 + 1876WAT H2 5836 2.294 1.513 2.644 + 1877WAT O 5837 2.100 2.688 1.321 + 1877WAT H1 5838 2.168 2.648 1.267 + 1877WAT H2 5839 2.140 2.694 1.408 + 1878WAT O 5840 1.018 0.432 2.306 + 1878WAT H1 5841 1.029 0.508 2.249 + 1878WAT H2 5842 1.059 0.457 2.388 + 1879WAT O 5843 3.244 0.083 3.582 + 1879WAT H1 5844 3.257 0.104 3.489 + 1879WAT H2 5845 3.161 0.124 3.605 + 1880WAT O 5846 0.422 1.422 3.982 + 1880WAT H1 5847 0.497 1.408 3.923 + 1880WAT H2 5848 0.357 1.465 3.927 + 1881WAT O 5849 2.369 1.473 0.210 + 1881WAT H1 5850 2.290 1.503 0.165 + 1881WAT H2 5851 2.336 1.422 0.284 + 1882WAT O 5852 1.469 2.645 2.313 + 1882WAT H1 5853 1.393 2.688 2.273 + 1882WAT H2 5854 1.431 2.577 2.369 + 1883WAT O 5855 3.499 3.746 3.753 + 1883WAT H1 5856 3.459 3.665 3.784 + 1883WAT H2 5857 3.537 3.723 3.668 + 1884WAT O 5858 1.936 0.925 3.307 + 1884WAT H1 5859 2.016 0.977 3.295 + 1884WAT H2 5860 1.948 0.882 3.392 + 1885WAT O 5861 1.152 0.665 2.185 + 1885WAT H1 5862 1.058 0.683 2.192 + 1885WAT H2 5863 1.160 0.611 2.107 + 1886WAT O 5864 0.068 0.975 2.602 + 1886WAT H1 5865 0.082 0.881 2.598 + 1886WAT H2 5866 4.016 0.986 2.645 + 1887WAT O 5867 2.789 0.137 3.936 + 1887WAT H1 5868 2.788 0.196 3.861 + 1887WAT H2 5869 2.731 0.178 4.000 + 1888WAT O 5870 0.993 2.737 2.550 + 1888WAT H1 5871 1.088 2.749 2.558 + 1888WAT H2 5872 0.956 2.823 2.572 + 1889WAT O 5873 2.820 1.134 3.051 + 1889WAT H1 5874 2.812 1.167 3.141 + 1889WAT H2 5875 2.741 1.165 3.007 + 1890WAT O 5876 1.446 1.873 0.696 + 1890WAT H1 5877 1.373 1.896 0.638 + 1890WAT H2 5878 1.414 1.894 0.783 + 1891WAT O 5879 2.281 2.465 2.973 + 1891WAT H1 5880 2.289 2.372 2.994 + 1891WAT H2 5881 2.371 2.496 2.968 + 1892WAT O 5882 0.036 0.652 0.802 + 1892WAT H1 5883 4.007 0.602 0.750 + 1892WAT H2 5884 0.101 0.684 0.739 + 1893WAT O 5885 2.455 2.104 1.771 + 1893WAT H1 5886 2.404 2.080 1.848 + 1893WAT H2 5887 2.393 2.150 1.714 + 1894WAT O 5888 2.792 3.235 3.773 + 1894WAT H1 5889 2.746 3.160 3.734 + 1894WAT H2 5890 2.745 3.311 3.740 + 1895WAT O 5891 0.913 2.101 3.348 + 1895WAT H1 5892 0.882 2.119 3.437 + 1895WAT H2 5893 0.834 2.109 3.294 + 1896WAT O 5894 0.097 3.120 1.741 + 1896WAT H1 5895 0.187 3.097 1.767 + 1896WAT H2 5896 0.105 3.209 1.707 + 1897WAT O 5897 0.872 0.675 3.331 + 1897WAT H1 5898 0.886 0.699 3.239 + 1897WAT H2 5899 0.800 0.731 3.360 + 1898WAT O 5900 3.546 3.397 1.620 + 1898WAT H1 5901 3.537 3.319 1.675 + 1898WAT H2 5902 3.456 3.426 1.607 + 1899WAT O 5903 3.961 2.110 2.727 + 1899WAT H1 5904 3.891 2.081 2.786 + 1899WAT H2 5905 3.915 2.134 2.646 + 1900WAT O 5906 0.005 1.418 3.046 + 1900WAT H1 5907 0.074 1.427 2.981 + 1900WAT H2 5908 3.956 1.425 2.996 + 1901WAT O 5909 3.539 1.073 0.629 + 1901WAT H1 5910 3.518 0.984 0.658 + 1901WAT H2 5911 3.483 1.129 0.684 + 1902WAT O 5912 1.667 3.451 0.729 + 1902WAT H1 5913 1.733 3.498 0.677 + 1902WAT H2 5914 1.599 3.428 0.666 + 1903WAT O 5915 0.467 3.590 3.013 + 1903WAT H1 5916 0.380 3.551 3.006 + 1903WAT H2 5917 0.520 3.544 2.947 + 1904WAT O 5918 3.197 1.824 1.572 + 1904WAT H1 5919 3.272 1.817 1.513 + 1904WAT H2 5920 3.144 1.895 1.535 + 1905WAT O 5921 1.855 3.813 1.791 + 1905WAT H1 5922 1.789 3.837 1.726 + 1905WAT H2 5923 1.805 3.792 1.869 + 1906WAT O 5924 3.883 0.852 0.523 + 1906WAT H1 5925 3.947 0.782 0.511 + 1906WAT H2 5926 3.873 0.860 0.618 + 1907WAT O 5927 3.106 3.408 3.814 + 1907WAT H1 5928 3.163 3.454 3.752 + 1907WAT H2 5929 3.072 3.477 3.871 + 1908WAT O 5930 2.723 2.923 3.289 + 1908WAT H1 5931 2.715 2.883 3.376 + 1908WAT H2 5932 2.660 2.996 3.291 + 1909WAT O 5933 2.049 3.007 2.320 + 1909WAT H1 5934 2.086 2.979 2.236 + 1909WAT H2 5935 2.119 3.060 2.360 + 1910WAT O 5936 1.588 3.438 3.602 + 1910WAT H1 5937 1.638 3.364 3.638 + 1910WAT H2 5938 1.655 3.500 3.574 + 1911WAT O 5939 3.522 1.867 0.452 + 1911WAT H1 5940 3.444 1.920 0.470 + 1911WAT H2 5941 3.490 1.792 0.404 + 1912WAT O 5942 0.707 0.004 2.127 + 1912WAT H1 5943 0.784 3.980 2.135 + 1912WAT H2 5944 0.722 0.054 2.047 + 1913WAT O 5945 0.080 0.715 3.560 + 1913WAT H1 5946 0.017 0.649 3.530 + 1913WAT H2 5947 0.123 0.674 3.636 + 1914WAT O 5948 1.388 0.113 1.673 + 1914WAT H1 5949 1.396 0.040 1.734 + 1914WAT H2 5950 1.300 0.104 1.636 + 1915WAT O 5951 2.304 1.761 2.110 + 1915WAT H1 5952 2.376 1.699 2.112 + 1915WAT H2 5953 2.251 1.739 2.186 + 1916WAT O 5954 3.127 2.078 0.320 + 1916WAT H1 5955 3.108 2.057 0.412 + 1916WAT H2 5956 3.106 2.171 0.313 + 1917WAT O 5957 2.586 3.533 0.897 + 1917WAT H1 5958 2.527 3.600 0.862 + 1917WAT H2 5959 2.673 3.562 0.873 + 1918WAT O 5960 1.431 0.866 1.480 + 1918WAT H1 5961 1.465 0.789 1.524 + 1918WAT H2 5962 1.499 0.890 1.417 + 1919WAT O 5963 1.978 3.086 3.434 + 1919WAT H1 5964 2.033 3.040 3.371 + 1919WAT H2 5965 2.034 3.155 3.469 + 1920WAT O 5966 0.009 3.795 2.430 + 1920WAT H1 5967 3.951 3.782 2.400 + 1920WAT H2 5968 0.023 3.725 2.494 + 1921WAT O 5969 2.840 0.420 1.510 + 1921WAT H1 5970 2.864 0.372 1.590 + 1921WAT H2 5971 2.762 0.375 1.478 + 1922WAT O 5972 1.315 0.557 1.056 + 1922WAT H1 5973 1.279 0.632 1.102 + 1922WAT H2 5974 1.396 0.536 1.103 + 1923WAT O 5975 2.108 1.480 0.649 + 1923WAT H1 5976 2.029 1.427 0.657 + 1923WAT H2 5977 2.130 1.503 0.739 + 1924WAT O 5978 3.443 3.838 1.728 + 1924WAT H1 5979 3.357 3.829 1.687 + 1924WAT H2 5980 3.495 3.767 1.691 + 1925WAT O 5981 2.516 0.662 3.802 + 1925WAT H1 5982 2.574 0.721 3.850 + 1925WAT H2 5983 2.557 0.576 3.809 + 1926WAT O 5984 2.689 2.194 3.268 + 1926WAT H1 5985 2.756 2.183 3.200 + 1926WAT H2 5986 2.672 2.105 3.299 + 1927WAT O 5987 0.442 0.710 3.979 + 1927WAT H1 5988 0.410 0.624 3.952 + 1927WAT H2 5989 0.370 0.769 3.960 + 1928WAT O 5990 1.205 1.708 3.624 + 1928WAT H1 5991 1.131 1.669 3.671 + 1928WAT H2 5992 1.219 1.792 3.667 + 1929WAT O 5993 2.003 1.497 2.043 + 1929WAT H1 5994 2.054 1.422 2.073 + 1929WAT H2 5995 1.944 1.517 2.116 + 1930WAT O 5996 0.474 0.255 3.360 + 1930WAT H1 5997 0.473 0.349 3.381 + 1930WAT H2 5998 0.429 0.249 3.275 + 1931WAT O 5999 0.604 1.658 0.073 + 1931WAT H1 6000 0.554 1.740 0.080 + 1931WAT H2 6001 0.537 1.590 0.066 + 1932WAT O 6002 1.608 3.399 2.245 + 1932WAT H1 6003 1.678 3.463 2.255 + 1932WAT H2 6004 1.539 3.428 2.304 + 1933WAT O 6005 2.224 0.128 1.799 + 1933WAT H1 6006 2.193 0.133 1.709 + 1933WAT H2 6007 2.319 0.119 1.792 + 1934WAT O 6008 1.622 2.338 1.714 + 1934WAT H1 6009 1.622 2.252 1.756 + 1934WAT H2 6010 1.546 2.337 1.656 + 1935WAT O 6011 2.441 0.437 2.018 + 1935WAT H1 6012 2.488 0.363 2.057 + 1935WAT H2 6013 2.471 0.439 1.927 + 1936WAT O 6014 2.186 3.390 1.325 + 1936WAT H1 6015 2.219 3.393 1.415 + 1936WAT H2 6016 2.119 3.322 1.326 + 1937WAT O 6017 0.796 1.186 2.970 + 1937WAT H1 6018 0.743 1.146 3.039 + 1937WAT H2 6019 0.779 1.132 2.893 + 1938WAT O 6020 3.012 2.002 0.562 + 1938WAT H1 6021 3.036 2.079 0.613 + 1938WAT H2 6022 2.917 1.993 0.575 + 1939WAT O 6023 1.760 2.440 0.250 + 1939WAT H1 6024 1.807 2.436 0.333 + 1939WAT H2 6025 1.779 2.357 0.207 + 1940WAT O 6026 0.762 1.070 1.019 + 1940WAT H1 6027 0.689 1.128 0.996 + 1940WAT H2 6028 0.834 1.130 1.038 + 1941WAT O 6029 1.477 0.623 3.327 + 1941WAT H1 6030 1.474 0.562 3.401 + 1941WAT H2 6031 1.501 0.569 3.252 + 1942WAT O 6032 2.309 1.751 0.839 + 1942WAT H1 6033 2.307 1.656 0.850 + 1942WAT H2 6034 2.362 1.783 0.912 + 1943WAT O 6035 1.160 3.233 2.160 + 1943WAT H1 6036 1.105 3.310 2.173 + 1943WAT H2 6037 1.100 3.165 2.131 + 1944WAT O 6038 2.876 3.250 1.997 + 1944WAT H1 6039 2.832 3.249 1.912 + 1944WAT H2 6040 2.968 3.269 1.976 + 1945WAT O 6041 0.169 3.023 1.061 + 1945WAT H1 6042 0.261 3.003 1.045 + 1945WAT H2 6043 0.162 3.029 1.156 + 1946WAT O 6044 3.111 0.482 0.536 + 1946WAT H1 6045 3.192 0.523 0.567 + 1946WAT H2 6046 3.128 0.463 0.444 + 1947WAT O 6047 3.674 2.938 1.358 + 1947WAT H1 6048 3.744 2.959 1.297 + 1947WAT H2 6049 3.601 2.994 1.331 + 1948WAT O 6050 3.951 2.358 2.040 + 1948WAT H1 6051 3.927 2.354 1.947 + 1948WAT H2 6052 4.019 2.425 2.044 + 1949WAT O 6053 0.906 3.927 2.379 + 1949WAT H1 6054 0.855 3.941 2.458 + 1949WAT H2 6055 0.973 3.995 2.382 + 1950WAT O 6056 0.763 2.815 1.894 + 1950WAT H1 6057 0.849 2.774 1.890 + 1950WAT H2 6058 0.740 2.813 1.987 + 1951WAT O 6059 0.963 2.349 0.534 + 1951WAT H1 6060 0.894 2.410 0.507 + 1951WAT H2 6061 1.018 2.400 0.594 + 1952WAT O 6062 0.470 0.978 3.455 + 1952WAT H1 6063 0.388 1.025 3.437 + 1952WAT H2 6064 0.443 0.907 3.514 + 1953WAT O 6065 1.284 0.938 1.927 + 1953WAT H1 6066 1.348 0.967 1.993 + 1953WAT H2 6067 1.199 0.965 1.961 + 1954WAT O 6068 1.419 2.414 1.099 + 1954WAT H1 6069 1.371 2.428 1.181 + 1954WAT H2 6070 1.463 2.498 1.083 + 1955WAT O 6071 0.843 1.033 3.871 + 1955WAT H1 6072 0.770 0.978 3.842 + 1955WAT H2 6073 0.918 0.974 3.873 + 1956WAT O 6074 3.137 1.372 2.782 + 1956WAT H1 6075 3.090 1.414 2.710 + 1956WAT H2 6076 3.102 1.282 2.784 + 1957WAT O 6077 0.903 1.319 1.050 + 1957WAT H1 6078 0.935 1.328 1.140 + 1957WAT H2 6079 0.971 1.268 1.006 + 1958WAT O 6080 1.470 0.702 2.048 + 1958WAT H1 6081 1.431 0.699 1.961 + 1958WAT H2 6082 1.425 0.774 2.092 + 1959WAT O 6083 0.201 0.910 4.008 + 1959WAT H1 6084 0.139 0.839 4.021 + 1959WAT H2 6085 0.175 0.977 0.038 + 1960WAT O 6086 2.466 3.071 1.597 + 1960WAT H1 6087 2.396 3.019 1.557 + 1960WAT H2 6088 2.543 3.056 1.543 + 1961WAT O 6089 2.503 3.275 0.312 + 1961WAT H1 6090 2.570 3.339 0.335 + 1961WAT H2 6091 2.550 3.209 0.261 + 1962WAT O 6092 3.006 0.928 0.766 + 1962WAT H1 6093 3.031 0.839 0.739 + 1962WAT H2 6094 3.070 0.951 0.833 + 1963WAT O 6095 3.926 2.420 1.245 + 1963WAT H1 6096 3.987 2.356 1.208 + 1963WAT H2 6097 3.975 2.465 1.313 + 1964WAT O 6098 2.370 3.929 1.965 + 1964WAT H1 6099 2.372 3.856 2.027 + 1964WAT H2 6100 2.282 3.927 1.928 + 1965WAT O 6101 0.390 2.074 1.173 + 1965WAT H1 6102 0.473 2.068 1.126 + 1965WAT H2 6103 0.415 2.094 1.263 + 1966WAT O 6104 3.402 1.971 1.923 + 1966WAT H1 6105 3.456 2.002 1.850 + 1966WAT H2 6106 3.341 1.909 1.882 + 1967WAT O 6107 0.368 2.016 3.167 + 1967WAT H1 6108 0.450 1.972 3.145 + 1967WAT H2 6109 0.300 1.960 3.129 + 1968WAT O 6110 0.740 2.550 0.155 + 1968WAT H1 6111 0.753 2.644 0.170 + 1968WAT H2 6112 0.826 2.512 0.172 + 1969WAT O 6113 3.920 2.245 3.673 + 1969WAT H1 6114 3.984 2.236 3.744 + 1969WAT H2 6115 3.835 2.239 3.717 + 1970WAT O 6116 1.911 0.804 2.318 + 1970WAT H1 6117 1.910 0.883 2.373 + 1970WAT H2 6118 1.881 0.734 2.376 + 1971WAT O 6119 3.201 2.326 0.913 + 1971WAT H1 6120 3.248 2.332 0.996 + 1971WAT H2 6121 3.123 2.380 0.926 + 1972WAT O 6122 2.500 2.965 2.539 + 1972WAT H1 6123 2.530 2.902 2.605 + 1972WAT H2 6124 2.548 3.046 2.560 + 1973WAT O 6125 0.275 0.581 2.416 + 1973WAT H1 6126 0.285 0.530 2.336 + 1973WAT H2 6127 0.299 0.670 2.390 + 1974WAT O 6128 1.209 3.769 0.268 + 1974WAT H1 6129 1.205 3.861 0.297 + 1974WAT H2 6130 1.134 3.728 0.311 + 1975WAT O 6131 3.119 3.708 0.356 + 1975WAT H1 6132 3.088 3.760 0.282 + 1975WAT H2 6133 3.145 3.625 0.316 + 1976WAT O 6134 2.582 3.261 0.824 + 1976WAT H1 6135 2.642 3.210 0.878 + 1976WAT H2 6136 2.567 3.342 0.874 + 1977WAT O 6137 1.271 0.539 0.801 + 1977WAT H1 6138 1.279 0.527 0.895 + 1977WAT H2 6139 1.362 0.540 0.769 + 1978WAT O 6140 0.903 0.657 3.947 + 1978WAT H1 6141 0.861 0.654 3.861 + 1978WAT H2 6142 0.942 0.570 3.958 + 1979WAT O 6143 3.650 1.578 3.033 + 1979WAT H1 6144 3.590 1.531 3.092 + 1979WAT H2 6145 3.712 1.510 3.004 + 1980WAT O 6146 1.101 3.476 2.367 + 1980WAT H1 6147 1.024 3.444 2.414 + 1980WAT H2 6148 1.071 3.487 2.277 + 1981WAT O 6149 0.446 1.465 1.352 + 1981WAT H1 6150 0.515 1.433 1.293 + 1981WAT H2 6151 0.396 1.527 1.298 + 1982WAT O 6152 1.625 3.655 3.865 + 1982WAT H1 6153 1.678 3.644 3.787 + 1982WAT H2 6154 1.592 3.745 3.860 + 1983WAT O 6155 0.776 1.008 0.720 + 1983WAT H1 6156 0.783 0.914 0.736 + 1983WAT H2 6157 0.798 1.049 0.804 + 1984WAT O 6158 0.125 1.345 1.351 + 1984WAT H1 6159 0.165 1.289 1.417 + 1984WAT H2 6160 0.190 1.350 1.281 + 1985WAT O 6161 0.956 1.191 2.577 + 1985WAT H1 6162 0.867 1.223 2.566 + 1985WAT H2 6163 0.974 1.197 2.670 + 1986WAT O 6164 0.174 2.624 1.687 + 1986WAT H1 6165 0.121 2.703 1.699 + 1986WAT H2 6166 0.263 2.652 1.708 + 1987WAT O 6167 0.496 2.765 2.188 + 1987WAT H1 6168 0.592 2.761 2.185 + 1987WAT H2 6169 0.472 2.696 2.250 + 1988WAT O 6170 0.206 2.914 2.002 + 1988WAT H1 6171 0.189 2.991 2.057 + 1988WAT H2 6172 0.287 2.935 1.957 + 1989WAT O 6173 2.292 3.321 0.727 + 1989WAT H1 6174 2.384 3.295 0.737 + 1989WAT H2 6175 2.252 3.251 0.676 + 1990WAT O 6176 0.019 3.099 0.189 + 1990WAT H1 6177 0.087 3.134 0.245 + 1990WAT H2 6178 4.009 3.176 0.150 + 1991WAT O 6179 1.706 1.404 2.787 + 1991WAT H1 6180 1.658 1.432 2.709 + 1991WAT H2 6181 1.638 1.381 2.850 + 1992WAT O 6182 3.546 0.795 2.903 + 1992WAT H1 6183 3.528 0.744 2.982 + 1992WAT H2 6184 3.539 0.731 2.831 + 1993WAT O 6185 2.184 2.073 2.836 + 1993WAT H1 6186 2.166 1.981 2.816 + 1993WAT H2 6187 2.278 2.075 2.854 + 1994WAT O 6188 2.621 2.014 0.851 + 1994WAT H1 6189 2.612 1.938 0.909 + 1994WAT H2 6190 2.614 2.089 0.909 + 1995WAT O 6191 2.780 3.436 2.795 + 1995WAT H1 6192 2.872 3.455 2.778 + 1995WAT H2 6193 2.733 3.478 2.723 + 1996WAT O 6194 1.538 0.635 1.558 + 1996WAT H1 6195 1.560 0.556 1.509 + 1996WAT H2 6196 1.589 0.629 1.638 + 1997WAT O 6197 1.682 1.700 0.891 + 1997WAT H1 6198 1.772 1.699 0.860 + 1997WAT H2 6199 1.648 1.785 0.862 + 1998WAT O 6200 0.386 3.437 1.781 + 1998WAT H1 6201 0.455 3.460 1.718 + 1998WAT H2 6202 0.316 3.499 1.762 + 1999WAT O 6203 0.359 0.494 0.329 + 1999WAT H1 6204 0.356 0.590 0.328 + 1999WAT H2 6205 0.426 0.472 0.264 + 2000WAT O 6206 0.822 3.131 3.846 + 2000WAT H1 6207 0.903 3.158 3.891 + 2000WAT H2 6208 0.754 3.184 3.886 + 2001WAT O 6209 1.449 1.594 1.308 + 2001WAT H1 6210 1.495 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