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+atlas_1000_analysis/2p9x_D/2p9x_D_R3.xtc filter=lfs diff=lfs merge=lfs -text
+atlas_1000_analysis/2p9x_D/2p9x_D_R1.xtc filter=lfs diff=lfs merge=lfs -text
+atlas_1000_analysis/2p9x_D/2p9x_D_R2.xtc filter=lfs diff=lfs merge=lfs -text
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+atlas_1000_analysis/2p9x_D/2p9x_D_R2.tpr filter=lfs diff=lfs merge=lfs -text

atlas_1000_analysis/1bgf_A/1bgf_A_Bfactor.tsv

@@ -0,0 +1,125 @@
+Bfactor
+46.25
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atlas_1000_analysis/1bgf_A/1bgf_A_Neq.tsv

@@ -0,0 +1,125 @@
+seq	Neq_R1	Neq_R2	Neq_R3
+G	1.0	1.0	1.0
+G	1.0	1.0	1.0
+S	1.499	4.371	1.323
+Q	1.207	2.721	1.014
+W	1.18	2.043	1.004
+N	1.003	1.019	1.004
+Q	1.0	1.0	1.0
+V	1.0	1.003	1.0
+Q	1.004	1.097	1.0
+Q	1.61	3.139	2.402
+L	3.084	1.188	3.26
+E	1.682	1.122	2.507
+I	2.309	1.014	1.616
+K	1.022	1.03	1.025
+F	1.12	1.006	1.002
+L	1.22	1.0	1.012
+E	1.0	1.0	1.0
+Q	1.001	1.0	1.0
+V	1.0	1.0	1.0
+D	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+F	2.29	2.297	2.213
+Y	2.149	2.187	1.313
+D	2.536	1.608	1.232
+D	2.295	1.509	1.409
+N	4.46	2.27	4.282
+F	1.895	1.285	2.079
+P	1.021	1.206	1.046
+M	1.0	1.021	1.0
+E	1.0	1.02	1.0
+I	1.0	1.024	1.0
+R	1.0	1.004	1.0
+H	1.001	1.001	1.0
+L	1.05	1.391	1.335
+L	1.002	1.028	1.141
+A	1.0	1.004	1.121
+Q	1.148	1.343	1.298
+W	1.001	1.027	1.009
+I	1.004	1.001	1.001
+E	1.007	1.001	1.0
+T	1.704	1.478	1.702
+Q	1.15	1.172	1.165
+D	2.309	2.081	2.233
+W	1.222	1.206	1.21
+E	1.131	1.126	1.123
+V	1.0	1.0	1.001
+A	1.009	1.005	1.015
+S	1.175	1.154	1.178
+N	4.331	4.434	4.377
+N	1.935	1.825	1.918
+E	1.135	1.234	1.177
+T	1.0	1.0	1.0
+M	1.0	1.0	1.0
+A	1.0	1.0	1.0
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+Q	1.0	1.0	1.0
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+L	1.0	1.0	1.0
+L	1.0	1.0	1.0
+I	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+L	1.0	1.0	1.0
+D	1.0	1.0	1.0
+E	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+L	1.0	1.0	1.0
+G	1.0	1.0	1.0
+R	1.0	1.0	1.0
+V	1.0	1.0	1.0
+S	1.0	1.0	1.0
+K	1.0	1.0	1.0
+E	1.009	1.0	1.0
+K	1.001	1.0	1.0
+N	1.427	1.406	1.454
+L	1.034	1.034	1.04
+L	1.001	1.001	1.003
+L	1.0	1.0	1.0
+I	1.0	1.0	1.0
+H	1.0	1.0	1.0
+N	1.0	1.0	1.0
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+I	1.0	1.0	1.0
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+K	1.0	1.0	1.0
+F	1.01	1.017	1.023
+H	1.641	1.534	1.744
+G	2.71	2.694	2.753
+N	2.5	2.344	2.092
+P	1.803	1.805	1.882
+M	1.007	1.0	1.008
+H	1.0	1.0	1.0
+V	1.0	1.0	1.0
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+I	1.0	1.207	1.001
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+A	1.007	3.101	1.017
+A	2.165	3.972	2.396
+A	2.576	6.46	2.599
+N	2.01	6.642	1.83
+M	1.895	3.219	1.632
+P	1.0	1.0	1.0
+I	1.0	1.0	1.0

atlas_1000_analysis/1bgf_A/1bgf_A_RMSD.tsv

@@ -0,0 +1,1002 @@
+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	1.45	1.18	1.19
+0.2	0.92	1.35	1.27
+0.3	1.12	1.3	1.39
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+0.7	1.25	1.74	1.23
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+4.3	1.73	3.88	1.57
+4.4	1.83	4.19	1.98
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+4.7	1.69	4.36	2.25
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+4.9	1.46	4.43	2.41
+5.0	1.89	4.37	2.2
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+5.6	1.73	4.25	2.27
+5.7	1.9	4.33	2.17
+5.8	1.68	3.94	2.5
+5.9	2.11	4.03	2.07
+6.0	1.9	4.31	1.96
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+6.7	2.23	3.86	2.15
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+6.9	2.16	3.99	2.28
+7.0	1.91	4.32	2.3
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+7.8	1.78	4.51	2.31
+7.9	1.79	4.17	2.26
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+11.9	1.89	2.29	2.24
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+72.7	2.6	4.07	2.11
+72.8	2.45	3.76	2.21
+72.9	2.69	3.7	2.47
+73.0	2.54	3.75	2.22
+73.1	2.33	3.73	2.3
+73.2	2.11	3.89	2.14
+73.3	2.55	4.0	2.63
+73.4	2.58	4.11	2.57
+73.5	2.43	3.86	2.22
+73.6	2.61	3.73	2.35
+73.7	2.67	3.98	2.37
+73.8	2.75	3.95	2.4
+73.9	2.55	3.91	2.41
+74.0	2.38	3.76	2.66
+74.1	2.52	4.07	2.36
+74.2	2.86	3.95	2.34
+74.3	2.71	3.98	2.18
+74.4	2.65	3.8	2.56
+74.5	2.68	3.82	2.39
+74.6	2.76	3.89	2.48
+74.7	2.29	3.98	2.29
+74.8	2.35	3.64	2.12
+74.9	2.4	3.78	2.19
+75.0	2.47	3.58	2.14
+75.1	2.59	3.75	1.9
+75.2	2.51	3.64	2.28
+75.3	2.52	3.57	2.27
+75.4	2.67	3.7	2.05
+75.5	2.47	4.09	2.32
+75.6	2.5	3.8	2.28
+75.7	2.53	3.69	2.39
+75.8	2.66	3.69	2.49
+75.9	2.83	3.83	2.49
+76.0	2.77	3.83	2.38
+76.1	2.64	3.97	2.46
+76.2	2.24	4.17	2.31
+76.3	1.97	4.08	2.02
+76.4	2.47	3.97	2.04
+76.5	2.56	4.01	2.07
+76.6	2.41	4.1	2.09
+76.7	2.57	4.03	2.23
+76.8	2.43	3.6	2.41
+76.9	2.36	3.65	2.35
+77.0	2.5	3.83	2.47
+77.1	2.6	4.0	2.55
+77.2	2.7	3.76	2.45
+77.3	2.52	4.0	2.5
+77.4	2.51	4.2	2.5
+77.5	2.28	3.8	2.2
+77.6	2.39	3.96	2.15
+77.7	2.62	3.4	2.56
+77.8	2.34	3.68	2.25
+77.9	2.47	3.77	2.36
+78.0	2.73	3.78	2.29
+78.1	2.4	3.68	2.21
+78.2	2.48	3.47	2.1
+78.3	2.64	3.63	2.46
+78.4	2.67	3.8	2.35
+78.5	2.63	3.74	2.12
+78.6	2.75	3.26	2.58
+78.7	2.44	3.37	2.18
+78.8	3.19	3.12	2.34
+78.9	2.82	3.29	2.43
+79.0	2.69	3.79	2.31
+79.1	2.28	3.39	2.47
+79.2	2.58	3.01	2.22
+79.3	2.82	2.78	2.1
+79.4	2.5	3.13	2.34
+79.5	2.69	3.03	2.35
+79.6	2.68	2.96	2.18
+79.7	2.74	2.83	2.28
+79.8	2.68	3.18	2.54
+79.9	2.75	3.15	2.38
+80.0	2.45	3.24	2.51
+80.1	2.77	3.66	2.52
+80.2	2.68	3.91	2.12
+80.3	2.1	3.67	2.16
+80.4	2.34	3.87	2.55
+80.5	2.26	3.3	2.38
+80.6	2.21	3.21	2.16
+80.7	2.01	3.15	2.31
+80.8	2.35	3.09	2.0
+80.9	2.53	3.11	2.49
+81.0	2.39	3.0	2.26
+81.1	2.32	2.58	2.31
+81.2	2.19	2.56	2.6
+81.3	2.33	2.59	2.75
+81.4	2.7	2.71	2.44
+81.5	2.51	2.6	2.56
+81.6	2.64	2.61	2.55
+81.7	2.56	2.71	2.16
+81.8	2.42	2.48	2.25
+81.9	2.28	2.81	2.91
+82.0	2.23	2.64	2.72
+82.1	2.69	2.57	2.62
+82.2	2.09	2.62	2.46
+82.3	2.43	2.78	2.58
+82.4	2.47	3.24	2.43
+82.5	2.51	2.69	2.32
+82.6	2.7	2.98	2.69
+82.7	2.45	2.89	2.44
+82.8	2.47	2.63	2.54
+82.9	2.37	2.9	2.52
+83.0	2.13	2.61	2.57
+83.1	2.63	2.99	2.7
+83.2	2.48	2.69	2.61
+83.3	2.65	3.03	2.5
+83.4	2.75	2.93	2.78
+83.5	2.58	2.91	2.5
+83.6	2.56	3.06	2.83
+83.7	2.53	2.82	2.73
+83.8	2.75	2.99	2.53
+83.9	2.74	2.7	2.87
+84.0	2.75	2.83	2.46
+84.1	2.78	2.97	2.68
+84.2	2.91	2.75	2.9
+84.3	2.95	2.77	2.88
+84.4	2.26	2.54	2.52
+84.5	2.43	3.21	2.61
+84.6	2.54	2.68	2.57
+84.7	2.39	3.13	2.61
+84.8	2.48	3.3	2.58
+84.9	2.5	3.28	2.63
+85.0	2.59	3.21	2.44
+85.1	2.53	2.84	2.5
+85.2	2.58	2.96	2.61
+85.3	2.66	3.28	2.32
+85.4	2.43	3.41	2.4
+85.5	2.78	3.4	2.38
+85.6	2.92	3.47	2.35
+85.7	3.26	3.41	2.23
+85.8	3.02	3.57	2.6
+85.9	2.83	3.32	2.83
+86.0	2.67	3.67	2.85
+86.1	2.81	3.24	2.72
+86.2	2.77	3.21	2.71
+86.3	2.87	3.43	2.71
+86.4	2.41	3.47	2.86
+86.5	2.73	3.17	2.77
+86.6	2.7	3.2	3.01
+86.7	2.4	3.12	2.41
+86.8	2.69	3.08	2.52
+86.9	2.68	3.28	2.58
+87.0	2.44	3.37	2.28
+87.1	2.57	2.94	2.38
+87.2	2.22	3.08	2.72
+87.3	2.21	3.25	2.33
+87.4	2.29	2.89	2.44
+87.5	2.56	3.08	2.48
+87.6	2.69	3.07	2.84
+87.7	2.32	3.34	2.5
+87.8	2.33	3.25	2.49
+87.9	2.31	3.04	2.38
+88.0	2.31	3.04	2.55
+88.1	2.42	2.95	2.66
+88.2	2.41	2.95	2.81
+88.3	2.41	2.73	2.7
+88.4	2.41	2.84	2.4
+88.5	2.46	2.4	2.49
+88.6	2.56	2.39	2.8
+88.7	2.49	2.22	2.37
+88.8	2.17	2.05	2.57
+88.9	2.15	2.09	2.44
+89.0	2.48	2.15	2.5
+89.1	1.91	2.46	2.67
+89.2	2.33	2.43	2.81
+89.3	2.44	2.29	2.55
+89.4	2.3	2.71	2.63
+89.5	2.78	2.54	2.68
+89.6	2.68	2.57	2.46
+89.7	2.32	2.5	2.58
+89.8	2.07	2.41	2.44
+89.9	2.31	2.52	2.66
+90.0	2.22	2.6	2.6
+90.1	2.23	2.62	2.51
+90.2	2.19	2.55	2.48
+90.3	2.36	2.33	2.3
+90.4	2.36	2.28	2.33
+90.5	2.2	2.5	2.64
+90.6	2.21	2.39	2.53
+90.7	2.18	2.5	2.56
+90.8	1.93	2.39	2.38
+90.9	2.21	2.57	2.58
+91.0	2.24	2.43	2.51
+91.1	2.84	2.45	2.87
+91.2	2.58	2.55	2.76
+91.3	2.62	2.51	2.95
+91.4	2.69	2.56	2.75
+91.5	2.22	2.55	3.0
+91.6	2.35	2.47	2.81
+91.7	2.6	2.7	2.9
+91.8	2.53	2.51	2.54
+91.9	2.18	2.67	2.91
+92.0	2.54	2.58	2.85
+92.1	2.36	2.7	2.62
+92.2	2.33	2.5	2.73
+92.3	2.36	2.5	2.74
+92.4	2.59	2.82	2.56
+92.5	2.33	2.7	2.71
+92.6	2.32	2.44	2.52
+92.7	2.38	2.63	2.65
+92.8	2.46	2.6	2.76
+92.9	2.46	2.27	2.6
+93.0	2.32	2.6	2.48
+93.1	2.61	2.43	2.34
+93.2	2.49	2.62	2.57
+93.3	2.34	2.38	2.44
+93.4	2.54	2.81	2.67
+93.5	2.43	2.55	2.34
+93.6	2.3	2.8	2.53
+93.7	2.6	2.44	2.43
+93.8	2.47	2.5	2.34
+93.9	2.3	2.56	2.46
+94.0	2.47	2.39	2.31
+94.1	2.52	2.44	2.32
+94.2	2.24	2.72	2.47
+94.3	2.44	2.58	2.49
+94.4	2.3	2.42	2.43
+94.5	2.78	2.54	2.42
+94.6	2.94	2.41	2.55
+94.7	2.74	2.39	2.3
+94.8	3.02	2.48	2.4
+94.9	2.86	2.43	2.14
+95.0	2.74	2.42	2.23
+95.1	2.68	2.33	2.16
+95.2	2.88	2.37	2.14
+95.3	2.72	2.64	2.26
+95.4	2.85	2.52	2.0
+95.5	2.69	2.37	2.2
+95.6	2.18	2.2	2.12
+95.7	2.16	2.1	1.99
+95.8	2.39	2.12	2.27
+95.9	2.18	2.39	2.18
+96.0	2.23	2.35	2.1
+96.1	2.3	2.41	2.11
+96.2	2.4	2.38	2.28
+96.3	2.36	2.64	2.32
+96.4	2.32	2.38	2.45
+96.5	2.63	2.6	2.21
+96.6	2.41	2.63	2.37
+96.7	2.53	2.51	2.11
+96.8	2.67	2.37	1.88
+96.9	2.95	2.2	2.0
+97.0	2.35	2.26	2.29
+97.1	2.7	2.16	2.21
+97.2	2.48	2.33	2.63
+97.3	2.66	2.34	2.36
+97.4	2.41	2.84	2.42
+97.5	2.28	2.43	2.5
+97.6	2.53	2.64	2.28
+97.7	2.62	2.81	2.46
+97.8	2.79	2.64	2.51
+97.9	2.57	2.76	2.68
+98.0	2.68	2.79	2.6
+98.1	2.44	2.63	2.32
+98.2	2.33	2.64	2.48
+98.3	2.56	2.81	2.74
+98.4	2.44	2.58	2.12
+98.5	2.48	2.73	2.29
+98.6	2.38	2.91	2.4
+98.7	2.22	2.68	2.42
+98.8	2.39	2.51	2.85
+98.9	2.49	2.55	2.64
+99.0	2.65	2.61	2.48
+99.1	2.53	2.4	2.48
+99.2	2.77	2.79	2.59
+99.3	2.61	2.81	2.74
+99.4	2.81	2.72	2.65
+99.5	2.7	2.87	2.49
+99.6	2.68	2.97	2.35
+99.7	2.52	2.39	2.57
+99.8	2.46	2.9	2.35
+99.9	2.65	3.05	2.46
+100.0	2.35	2.93	2.32

atlas_1000_analysis/1bgf_A/1bgf_A_RMSF.tsv

@@ -0,0 +1,125 @@
+seq	RMSF_R1	RMSF_R2	RMSF_R3
+G	3.68	8.01	3.63
+G	2.36	6.33	2.23
+S	1.71	5.21	1.2
+Q	1.33	3.6	0.92
+W	1.08	3.35	0.81
+N	1.38	3.03	1.3
+Q	1.3	2.44	0.88
+V	1.24	2.15	1.04
+Q	1.4	2.44	1.46
+Q	1.55	2.32	1.13
+L	1.56	1.84	1.54
+E	1.41	2.16	1.75
+I	1.55	2.31	1.75
+K	1.54	2.38	1.73
+F	1.27	1.76	1.47
+L	1.35	1.58	1.65
+E	1.64	1.95	2.06
+Q	1.6	1.79	1.8
+V	1.37	1.36	1.24
+D	1.49	1.71	1.62
+Q	1.44	1.81	1.4
+F	1.4	1.44	1.28
+Y	1.4	1.44	1.35
+D	2.19	1.63	1.2
+D	1.36	2.01	1.32
+N	1.24	2.72	1.03
+F	1.03	2.03	1.1
+P	0.85	1.61	0.88
+M	1.01	1.5	0.93
+E	0.92	1.27	0.9
+I	0.72	1.02	0.72
+R	0.73	0.91	0.63
+H	0.91	1.07	0.87
+L	0.74	1.08	0.76
+L	0.62	0.94	0.78
+A	0.71	0.97	1.03
+Q	0.87	1.16	0.77
+W	0.68	0.86	0.63
+I	0.6	0.79	0.56
+E	0.79	1.08	0.65
+T	0.95	1.17	0.78
+Q	0.8	0.88	0.7
+D	0.99	1.07	0.87
+W	0.82	0.88	0.77
+E	1.04	1.09	1.01
+V	1.01	0.96	0.98
+A	0.8	0.8	0.82
+S	0.82	0.9	0.83
+N	1.16	1.13	1.16
+N	0.95	0.93	0.92
+E	0.9	0.92	0.86
+T	0.88	0.94	0.82
+M	0.77	0.79	0.69
+A	0.62	0.67	0.57
+T	0.65	0.73	0.6
+I	0.69	0.78	0.63
+L	0.6	0.66	0.56
+L	0.56	0.58	0.51
+Q	0.6	0.69	0.52
+N	0.58	0.69	0.51
+L	0.54	0.6	0.5
+L	0.59	0.64	0.53
+I	0.61	0.77	0.58
+Q	0.56	0.76	0.57
+L	0.56	0.69	0.56
+D	0.63	0.78	0.59
+E	0.66	0.9	0.65
+Q	0.64	0.85	0.61
+L	0.66	0.84	0.6
+G	0.86	1.07	0.77
+R	0.98	1.24	0.86
+V	1.02	1.23	0.85
+S	1.1	1.31	0.91
+K	1.43	1.61	1.19
+E	1.64	1.75	1.34
+K	1.48	1.73	1.21
+N	1.39	1.6	1.14
+L	1.3	1.64	1.13
+L	1.32	1.62	1.18
+L	1.1	1.28	0.96
+I	0.81	1.13	0.72
+H	0.9	1.31	0.86
+N	0.96	1.23	0.9
+L	0.75	0.91	0.68
+K	0.73	1.0	0.64
+R	0.85	1.18	0.8
+I	0.79	0.97	0.73
+R	0.82	0.82	0.65
+K	0.88	1.02	0.77
+V	0.84	1.0	0.78
+L	0.84	0.83	0.72
+Q	0.88	0.91	0.73
+G	0.86	1.1	0.8
+K	0.93	1.01	0.83
+F	1.03	0.94	0.88
+H	1.08	1.19	0.91
+G	0.99	1.22	0.9
+N	0.84	1.09	0.71
+P	0.71	0.87	0.6
+M	0.7	0.89	0.58
+H	0.85	0.93	0.65
+V	0.79	0.76	0.59
+A	0.61	0.71	0.48
+V	0.67	0.8	0.5
+V	0.73	0.79	0.55
+I	0.68	0.73	0.53
+S	0.71	0.76	0.52
+N	0.91	0.86	0.58
+C	0.92	0.85	0.57
+L	0.86	0.84	0.55
+R	0.95	0.96	0.62
+E	1.01	1.01	0.59
+E	0.88	0.96	0.53
+R	0.82	1.02	0.7
+R	0.92	1.16	0.85
+I	1.02	1.25	0.84
+L	1.03	1.34	0.84
+A	1.08	1.48	1.08
+A	1.3	1.96	1.38
+A	1.54	3.45	1.43
+N	2.27	4.88	2.36
+M	2.7	6.06	2.96
+P	4.03	8.16	3.56
+I	4.94	9.83	3.83

atlas_1000_analysis/1bgf_A/1bgf_A_contacts.tsv

@@ -0,0 +1,125 @@
+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+G	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
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atlas_1000_analysis/1bgf_A/1bgf_A_corresp.tsv

@@ -0,0 +1,125 @@
+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+G	G	0	1	1	0	0	0	0	0
+G	G	1	2	2	0	0	0	0	0
+S	S	2	3	3	0	0	0	0	0
+Q	Q	3	4	4	0	0	0	0	0
+W	W	4	5	5	0	0	0	0	0
+N	N	5	6	6	0	0	0	0	0
+Q	Q	6	7	7	0	0	0	0	0
+V	V	7	8	8	0	0	0	0	0
+Q	Q	8	9	9	0	0	0	0	0
+Q	Q	9	10	10	0	0	0	0	0
+L	L	10	11	11	0	0	0	0	0
+E	E	11	12	12	0	0	0	0	0
+I	I	12	13	13	0	0	0	0	0
+K	K	13	14	14	0	0	0	0	0
+F	F	14	15	15	0	0	0	0	0
+L	L	15	16	16	0	0	0	0	0
+E	E	16	17	17	0	0	0	0	0
+Q	Q	17	18	18	0	0	0	0	0
+V	V	18	19	19	0	0	0	0	0
+D	D	19	20	20	0	0	0	0	0
+Q	Q	20	21	21	0	0	0	0	0
+F	F	21	22	22	0	0	0	0	0
+Y	Y	22	23	23	0	0	0	0	0
+D	D	23	24	24	0	0	0	0	0
+D	D	24	25	25	0	0	0	0	0
+N	N	25	26	26	0	0	0	0	0
+F	F	26	27	27	0	0	0	0	0
+P	P	27	28	28	0	0	0	0	0
+M	M	28	29	29	0	0	0	0	0
+E	E	29	30	30	0	0	0	0	0
+I	I	30	31	31	0	0	0	0	0
+R	R	31	32	32	0	0	0	0	0
+H	H	32	33	33	0	0	0	0	0
+L	L	33	34	34	0	0	0	0	0
+L	L	34	35	35	0	0	0	0	0
+A	A	35	36	36	0	0	0	0	0
+Q	Q	36	37	37	0	0	0	0	0
+W	W	37	38	38	0	0	0	0	0
+I	I	38	39	39	0	0	0	0	0
+E	E	39	40	40	0	0	0	0	0
+T	T	40	41	41	0	0	0	0	0
+Q	Q	41	42	42	0	0	0	0	0
+D	D	42	43	43	0	0	0	0	0
+W	W	43	44	44	0	0	0	0	0
+E	E	44	45	45	0	0	0	0	0
+V	V	45	46	46	0	0	0	0	0
+A	A	46	47	47	0	0	0	0	0
+S	S	47	48	48	0	0	0	0	0
+N	N	48	49	49	0	0	0	0	0
+N	N	49	50	50	0	0	0	0	0
+E	E	50	51	51	0	0	0	0	0
+T	T	51	52	52	0	0	0	0	0
+M	M	52	53	53	0	0	0	0	0
+A	A	53	54	54	0	0	0	0	0
+T	T	54	55	55	0	0	0	0	0
+I	I	55	56	56	0	0	0	0	0
+L	L	56	57	57	0	0	0	0	0
+L	L	57	58	58	0	0	0	0	0
+Q	Q	58	59	59	0	0	0	0	0
+N	N	59	60	60	0	0	0	0	0
+L	L	60	61	61	0	0	0	0	0
+L	L	61	62	62	0	0	0	0	0
+I	I	62	63	63	0	0	0	0	0
+Q	Q	63	64	64	0	0	0	0	0
+L	L	64	65	65	0	0	0	0	0
+D	D	65	66	66	0	0	0	0	0
+E	E	66	67	67	0	0	0	0	0
+Q	Q	67	68	68	0	0	0	0	0
+L	L	68	69	69	0	0	0	0	0
+G	G	69	70	70	0	0	0	0	0
+R	R	70	71	71	0	0	0	0	0
+V	V	71	72	72	0	0	0	0	0
+S	S	72	73	73	0	0	0	0	0
+K	K	73	74	74	0	0	0	0	0
+E	E	74	75	75	0	0	0	0	0
+K	K	75	76	76	0	0	0	0	0
+N	N	76	77	77	0	0	0	0	0
+L	L	77	78	78	0	0	0	0	0
+L	L	78	79	79	0	0	0	0	0
+L	L	79	80	80	0	0	0	0	0
+I	I	80	81	81	0	0	0	0	0
+H	H	81	82	82	0	0	0	0	0
+N	N	82	83	83	0	0	0	0	0
+L	L	83	84	84	0	0	0	0	0
+K	K	84	85	85	0	0	0	0	0
+R	R	85	86	86	0	0	0	0	0
+I	I	86	87	87	0	0	0	0	0
+R	R	87	88	88	0	0	0	0	0
+K	K	88	89	89	0	0	0	0	0
+V	V	89	90	90	0	0	0	0	0
+L	L	90	91	91	0	0	0	0	0
+Q	Q	91	92	92	0	0	0	0	0
+G	G	92	93	93	0	0	0	0	0
+K	K	93	94	94	0	0	0	0	0
+F	F	94	95	95	0	0	0	0	0
+H	H	95	96	96	0	0	0	0	0
+G	G	96	97	97	0	0	0	0	0
+N	N	97	98	98	0	0	0	0	0
+P	P	98	99	99	0	0	0	0	0
+M	M	99	100	100	0	0	0	0	0
+H	H	100	101	101	0	0	0	0	0
+V	V	101	102	102	0	0	0	0	0
+A	A	102	103	103	0	0	0	0	0
+V	V	103	104	104	0	0	0	0	0
+V	V	104	105	105	0	0	0	0	0
+I	I	105	106	106	0	0	0	0	0
+S	S	106	107	107	0	0	0	0	0
+N	N	107	108	108	0	0	0	0	0
+C	C	108	109	109	0	0	0	0	0
+L	L	109	110	110	0	0	0	0	0
+R	R	110	111	111	0	0	0	0	0
+E	E	111	112	112	0	0	0	0	0
+E	E	112	113	113	0	0	0	0	0
+R	R	113	114	114	0	0	0	0	0
+R	R	114	115	115	0	0	0	0	0
+I	I	115	116	116	0	0	0	0	0
+L	L	116	117	117	0	0	0	0	0
+A	A	117	118	118	0	0	0	0	0
+A	A	118	119	119	0	0	0	0	0
+A	A	119	120	120	0	0	0	0	0
+N	N	120	121	121	0	0	0	0	0
+M	M	121	122	122	0	0	0	0	0
+P	P	122	123	123	0	0	0	0	0
+I	I	123	124	124	0	0	0	0	0

atlas_1000_analysis/1bgf_A/1bgf_A_gyrate.tsv

@@ -0,0 +1,1001 @@
+time	gyr_R1	gyr_R2	gyr_R3
+0.1	15.33	15.51	15.31
+0.2	15.39	15.56	15.22
+0.3	15.2	15.35	15.26
+0.4	15.19	15.24	15.03
+0.5	15.1	15.32	15.1
+0.6	15.32	15.6	15.25
+0.7	15.25	15.56	15.26
+0.8	15.02	15.36	15.17
+0.9	15.0	15.43	15.34
+1.0	15.24	15.71	15.37
+1.1	15.04	15.57	15.24
+1.2	15.25	15.51	15.28
+1.3	15.32	15.44	15.37
+1.4	15.1	15.46	15.37
+1.5	15.04	15.47	15.37
+1.6	15.08	15.36	15.3
+1.7	15.29	15.56	15.18
+1.8	15.27	15.26	15.19
+1.9	15.18	15.24	15.34
+2.0	15.24	15.25	15.19
+2.1	15.18	15.22	15.22
+2.2	15.32	15.37	15.35
+2.3	15.3	15.39	15.23
+2.4	15.36	15.31	15.16
+2.5	15.15	15.37	15.26
+2.6	15.49	15.35	15.22
+2.7	15.4	15.47	15.29
+2.8	15.26	15.51	15.21
+2.9	15.25	15.45	15.55
+3.0	15.09	15.15	15.3
+3.1	15.14	15.47	15.28
+3.2	15.39	15.3	15.31
+3.3	15.31	15.31	15.38
+3.4	15.24	15.22	15.49
+3.5	15.39	15.38	15.47
+3.6	15.37	15.14	15.37
+3.7	15.33	15.36	15.41
+3.8	15.36	15.55	15.26
+3.9	15.38	15.5	15.57
+4.0	15.27	15.51	15.34
+4.1	15.24	15.45	15.45
+4.2	15.28	15.5	15.45
+4.3	15.25	15.49	15.34
+4.4	15.38	15.37	15.14
+4.5	15.27	15.27	15.2
+4.6	15.35	15.41	15.3
+4.7	15.24	15.51	15.21
+4.8	15.13	15.22	15.17
+4.9	15.15	15.31	15.15
+5.0	15.3	15.3	15.13
+5.1	15.19	15.3	15.09
+5.2	15.13	15.25	15.1
+5.3	15.22	15.46	15.21
+5.4	15.04	15.32	15.03
+5.5	15.24	15.37	15.24
+5.6	15.24	15.5	15.2
+5.7	15.34	15.45	15.16
+5.8	15.17	15.42	15.36
+5.9	15.21	15.41	15.04
+6.0	15.31	15.52	15.3
+6.1	15.37	15.35	15.29
+6.2	15.17	15.31	15.23
+6.3	15.19	15.36	15.23
+6.4	15.23	15.4	15.24
+6.5	15.38	15.22	15.45
+6.6	15.35	15.38	15.23
+6.7	15.31	15.44	15.18
+6.8	15.19	15.34	15.15
+6.9	15.36	15.23	15.19
+7.0	15.38	15.41	15.39
+7.1	15.34	15.41	15.33
+7.2	15.12	15.43	15.28
+7.3	15.18	15.34	15.24
+7.4	15.2	15.44	15.18
+7.5	15.34	15.44	15.2
+7.6	15.42	15.34	15.23
+7.7	15.45	15.46	15.37
+7.8	15.29	15.42	15.16
+7.9	15.2	15.38	15.26
+8.0	15.27	15.27	15.28
+8.1	15.3	15.23	15.29
+8.2	15.36	15.39	15.15
+8.3	15.41	15.34	15.1
+8.4	15.25	15.36	15.26
+8.5	15.14	15.41	15.22
+8.6	15.26	15.72	15.16
+8.7	15.18	15.86	15.2
+8.8	15.34	15.74	15.32
+8.9	15.31	15.8	15.4
+9.0	15.36	15.77	15.32
+9.1	15.36	15.83	15.47
+9.2	15.39	15.86	15.37
+9.3	15.28	15.72	15.29
+9.4	15.36	15.88	15.38
+9.5	15.33	15.8	15.29
+9.6	15.26	15.69	15.26
+9.7	15.26	15.57	15.06
+9.8	15.27	15.63	15.08
+9.9	15.22	15.63	15.08
+10.0	15.23	15.56	15.27
+10.1	15.4	15.59	15.22
+10.2	15.31	15.69	15.05
+10.3	15.31	15.66	15.18
+10.4	15.44	15.66	15.04
+10.5	15.36	15.8	15.15
+10.6	15.27	15.67	15.07
+10.7	15.29	15.49	15.02
+10.8	15.19	15.61	15.11
+10.9	15.27	15.43	15.03
+11.0	15.24	15.57	15.15
+11.1	15.24	15.62	15.02
+11.2	15.37	15.56	15.18
+11.3	15.22	15.66	15.19
+11.4	15.17	15.54	15.17
+11.5	15.19	15.64	15.21
+11.6	15.17	15.68	15.22
+11.7	15.32	15.76	15.18
+11.8	15.32	15.62	15.26
+11.9	15.2	15.55	15.15
+12.0	15.19	15.48	15.07
+12.1	15.12	15.68	15.21
+12.2	15.13	15.69	15.19
+12.3	15.43	15.79	15.15
+12.4	15.3	15.58	15.22
+12.5	15.31	15.53	15.28
+12.6	15.2	15.71	15.12
+12.7	15.39	15.66	15.11
+12.8	15.21	15.69	15.18
+12.9	15.26	15.57	15.35
+13.0	15.25	15.54	15.25
+13.1	15.15	15.53	15.28
+13.2	15.09	15.52	15.4
+13.3	15.19	15.76	15.3
+13.4	14.99	15.59	15.13
+13.5	15.06	15.59	15.19
+13.6	15.18	15.49	15.22
+13.7	15.09	15.69	15.06
+13.8	15.03	15.64	15.06
+13.9	14.94	15.53	15.34
+14.0	15.0	15.77	15.45
+14.1	15.2	15.47	15.22
+14.2	15.06	15.58	15.11
+14.3	15.04	15.52	15.35
+14.4	15.07	15.64	15.22
+14.5	15.05	15.47	15.01
+14.6	15.13	15.54	15.12
+14.7	15.41	15.61	15.37
+14.8	15.31	15.56	15.3
+14.9	15.27	15.72	15.29
+15.0	15.24	15.59	15.48
+15.1	15.22	15.56	15.44
+15.2	15.17	15.59	15.42
+15.3	15.08	15.42	15.44
+15.4	15.15	15.69	15.31
+15.5	15.29	15.55	15.12
+15.6	15.53	15.44	15.24
+15.7	15.2	15.64	15.13
+15.8	15.26	15.46	15.34
+15.9	15.27	15.66	15.24
+16.0	15.39	15.55	15.35
+16.1	15.17	15.63	15.36
+16.2	15.16	15.76	15.26
+16.3	15.1	15.44	15.26
+16.4	15.17	15.71	15.09
+16.5	15.11	15.58	15.18
+16.6	15.27	15.56	15.22
+16.7	15.16	15.7	15.25
+16.8	15.25	15.76	15.01
+16.9	15.11	15.67	15.17
+17.0	15.17	15.77	15.1
+17.1	15.11	15.74	15.12
+17.2	15.1	15.55	15.04
+17.3	15.29	15.6	15.0
+17.4	15.35	15.72	15.13
+17.5	14.94	15.56	15.11
+17.6	15.31	15.52	15.1
+17.7	15.17	15.44	15.09
+17.8	15.09	15.53	15.15
+17.9	15.04	15.54	15.07
+18.0	15.13	15.54	15.08
+18.1	15.34	15.57	15.04
+18.2	15.23	15.55	15.15
+18.3	15.22	15.58	15.15
+18.4	15.16	15.5	15.21
+18.5	15.18	15.71	15.14
+18.6	15.18	15.65	15.3
+18.7	15.2	15.51	15.29
+18.8	15.27	15.68	15.33
+18.9	15.37	15.51	15.28
+19.0	15.28	15.56	15.23
+19.1	15.22	15.31	15.39
+19.2	15.39	15.49	15.33
+19.3	15.21	15.6	15.29
+19.4	15.24	15.59	15.18
+19.5	15.34	15.69	15.29
+19.6	15.29	15.68	15.15
+19.7	15.33	15.64	15.11
+19.8	15.21	15.53	15.2
+19.9	15.21	15.53	15.18
+20.0	15.22	15.67	15.2
+20.1	15.43	15.67	15.25
+20.2	15.31	15.38	15.08
+20.3	15.67	15.38	15.23
+20.4	15.68	15.72	15.03
+20.5	15.68	15.45	15.02
+20.6	15.56	15.65	15.12
+20.7	15.62	15.39	15.12
+20.8	15.49	15.48	15.31
+20.9	15.64	15.21	15.37
+21.0	15.6	15.35	15.34
+21.1	15.51	15.24	15.21
+21.2	15.57	15.41	15.08
+21.3	15.48	15.48	15.11
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+66.9	15.27	15.99	15.19
+67.0	15.36	16.04	15.25
+67.1	15.06	16.0	15.32
+67.2	15.28	15.91	14.94
+67.3	15.25	15.85	15.06
+67.4	15.07	15.74	15.41
+67.5	15.07	16.13	15.47
+67.6	15.12	15.87	15.21
+67.7	15.09	15.95	15.06
+67.8	14.98	15.74	15.09
+67.9	15.09	15.52	15.12
+68.0	15.01	15.53	15.11
+68.1	15.04	15.67	15.19
+68.2	15.22	15.85	15.26
+68.3	15.22	15.58	15.02
+68.4	15.45	15.67	15.14
+68.5	15.41	15.56	15.11
+68.6	15.48	15.48	15.27
+68.7	15.19	15.59	15.17
+68.8	15.35	15.89	15.26
+68.9	15.23	15.58	15.17
+69.0	15.17	15.53	15.12
+69.1	15.27	15.43	15.1
+69.2	15.19	15.4	15.27
+69.3	15.18	15.31	15.21
+69.4	15.38	15.46	15.25
+69.5	15.43	15.49	15.21
+69.6	15.15	15.44	15.24
+69.7	14.98	15.51	15.31
+69.8	15.19	15.43	15.35
+69.9	15.39	15.47	15.3
+70.0	15.28	15.34	15.43
+70.1	15.39	15.19	15.39
+70.2	15.3	15.42	15.36
+70.3	15.25	15.36	15.41
+70.4	15.25	15.41	15.41
+70.5	15.15	15.59	15.28
+70.6	15.31	15.39	15.34
+70.7	15.18	15.25	15.26
+70.8	15.11	15.39	15.17
+70.9	15.15	15.28	15.21
+71.0	15.03	15.27	15.14
+71.1	15.07	15.5	15.12
+71.2	15.25	15.42	15.45
+71.3	15.14	15.28	15.29
+71.4	14.93	15.38	15.26
+71.5	14.99	15.15	15.18
+71.6	15.06	15.3	15.44
+71.7	15.01	15.44	15.41
+71.8	15.11	15.2	15.56
+71.9	15.22	15.35	15.26
+72.0	15.31	15.33	15.23
+72.1	15.31	15.44	15.23
+72.2	15.14	15.41	15.4
+72.3	15.41	15.45	15.29
+72.4	15.26	15.63	15.08
+72.5	15.4	15.46	15.26
+72.6	15.26	15.44	15.16
+72.7	15.36	15.36	15.24
+72.8	15.11	15.28	15.41
+72.9	15.18	15.25	15.46
+73.0	15.29	15.19	15.2
+73.1	15.33	15.26	15.18
+73.2	15.45	15.22	15.02
+73.3	15.14	15.0	15.54
+73.4	15.31	15.26	15.35
+73.5	15.11	15.1	15.29
+73.6	15.24	15.07	15.26
+73.7	15.46	15.05	15.31
+73.8	15.37	15.22	15.36
+73.9	15.34	15.37	15.36
+74.0	15.35	15.15	15.25
+74.1	15.22	15.3	15.21
+74.2	15.3	15.09	15.41
+74.3	15.29	15.29	15.23
+74.4	15.22	15.09	15.38
+74.5	15.29	15.07	15.39
+74.6	15.3	15.09	15.37
+74.7	15.24	15.22	15.25
+74.8	15.31	15.05	15.34
+74.9	15.31	15.08	15.25
+75.0	15.28	15.14	15.14
+75.1	15.32	15.09	15.18
+75.2	15.49	15.05	15.25
+75.3	15.28	15.12	15.24
+75.4	15.23	15.06	15.27
+75.5	15.39	15.23	15.25
+75.6	15.35	15.26	15.18
+75.7	15.3	15.0	15.2
+75.8	15.36	15.06	15.18
+75.9	15.35	15.15	15.31
+76.0	15.36	15.06	15.34
+76.1	15.22	14.9	15.44
+76.2	15.23	15.08	15.2
+76.3	15.23	15.15	15.11
+76.4	15.4	15.18	15.25
+76.5	15.24	15.09	15.14
+76.6	15.41	15.07	15.18
+76.7	15.27	15.07	15.23
+76.8	15.3	14.97	15.11
+76.9	15.32	15.1	15.13
+77.0	15.37	15.16	15.1
+77.1	15.47	15.28	15.24
+77.2	15.43	15.2	15.06
+77.3	15.37	15.16	15.16
+77.4	15.43	15.09	15.17
+77.5	15.24	15.11	15.14
+77.6	15.29	15.04	15.04
+77.7	15.54	15.45	15.1
+77.8	15.23	15.36	15.09
+77.9	15.12	15.29	15.19
+78.0	15.49	15.42	15.21
+78.1	15.3	15.55	15.34
+78.2	15.41	15.43	15.08
+78.3	15.3	15.43	15.11
+78.4	15.38	15.27	15.23
+78.5	15.36	15.67	15.13
+78.6	15.3	15.55	15.13
+78.7	15.3	15.52	15.22
+78.8	15.19	15.48	15.24
+78.9	15.17	15.43	15.23
+79.0	15.44	15.49	15.12
+79.1	15.19	15.45	15.13
+79.2	15.18	15.5	15.26
+79.3	15.27	15.59	15.16
+79.4	15.18	15.79	15.18
+79.5	15.23	15.55	15.19
+79.6	15.23	15.45	15.03
+79.7	15.25	15.48	15.14
+79.8	15.35	15.66	15.22
+79.9	15.39	16.0	15.24
+80.0	15.23	15.72	15.33
+80.1	15.11	15.75	15.28
+80.2	15.1	15.78	15.19
+80.3	15.14	15.54	15.07
+80.4	15.25	15.53	15.27
+80.5	15.21	15.59	15.24
+80.6	15.19	15.36	15.36
+80.7	15.12	15.45	15.2
+80.8	15.14	15.51	15.22
+80.9	14.96	15.56	15.29
+81.0	15.04	15.6	15.3
+81.1	15.09	15.34	15.23
+81.2	14.94	15.15	15.09
+81.3	15.08	15.3	15.16
+81.4	15.23	15.35	15.17
+81.5	15.19	15.28	15.14
+81.6	15.3	15.18	15.17
+81.7	15.16	15.29	15.04
+81.8	15.05	15.4	15.16
+81.9	15.08	15.54	15.28
+82.0	15.29	15.33	15.22
+82.1	15.4	15.51	15.28
+82.2	15.18	15.34	15.22
+82.3	15.28	15.47	15.15
+82.4	15.1	15.62	15.3
+82.5	15.15	15.29	15.29
+82.6	15.23	15.61	15.2
+82.7	15.22	15.68	15.24
+82.8	15.19	15.59	15.32
+82.9	15.2	15.62	15.18
+83.0	15.25	15.47	15.23
+83.1	15.41	15.1	15.24
+83.2	15.38	15.33	15.2
+83.3	15.32	15.36	15.13
+83.4	15.22	15.16	15.39
+83.5	15.28	15.66	15.29
+83.6	15.13	15.67	15.34
+83.7	15.31	15.51	15.33
+83.8	15.31	15.53	15.22
+83.9	15.27	15.51	15.52
+84.0	15.33	15.59	15.16
+84.1	15.15	15.78	15.03
+84.2	15.17	15.5	15.1
+84.3	15.21	15.63	15.25
+84.4	15.11	15.44	15.19
+84.5	15.23	15.54	15.23
+84.6	15.35	15.42	15.1
+84.7	15.26	15.45	15.25
+84.8	15.28	15.42	15.02
+84.9	15.19	15.54	15.15
+85.0	15.33	15.39	15.08
+85.1	15.41	15.69	15.16
+85.2	15.17	15.39	15.2
+85.3	15.22	15.35	15.25
+85.4	15.08	15.38	15.2
+85.5	15.2	15.35	15.12
+85.6	15.37	15.24	15.27
+85.7	15.28	15.15	15.27
+85.8	15.16	15.2	15.14
+85.9	15.15	15.3	15.16
+86.0	15.32	15.18	15.13
+86.1	15.2	15.27	15.23
+86.2	15.28	15.31	15.24
+86.3	15.36	15.51	15.05
+86.4	15.35	15.5	15.02
+86.5	15.15	15.38	15.02
+86.6	15.09	15.25	15.14
+86.7	15.22	15.31	15.03
+86.8	15.23	15.39	15.03
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+87.4	15.32	15.58	15.09
+87.5	15.33	15.26	15.07
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+88.1	15.08	15.43	15.1
+88.2	15.23	15.32	15.13
+88.3	15.15	15.44	15.11
+88.4	15.2	15.46	15.11
+88.5	15.17	15.55	14.98
+88.6	15.29	15.4	15.24
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+88.8	15.4	15.17	15.02
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+89.0	15.21	15.44	15.09
+89.1	15.25	15.28	14.97
+89.2	15.17	15.37	15.06
+89.3	15.21	15.24	15.09
+89.4	15.12	15.31	14.95
+89.5	15.4	15.34	15.14
+89.6	15.22	15.31	15.07
+89.7	15.25	15.34	15.13
+89.8	15.14	15.14	15.03
+89.9	15.19	15.3	14.79
+90.0	15.16	15.33	15.04
+90.1	15.1	15.19	15.0
+90.2	15.21	15.26	15.17
+90.3	15.14	15.18	15.08
+90.4	15.11	15.17	15.17
+90.5	15.02	15.12	15.13
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+91.1	15.28	15.33	15.14
+91.2	15.21	15.18	15.08
+91.3	15.26	15.16	15.15
+91.4	15.21	15.19	15.08
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+92.2	15.19	15.1	15.19
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+92.4	15.11	15.41	15.31
+92.5	15.08	15.22	15.28
+92.6	14.99	15.38	15.1
+92.7	15.01	15.28	15.23
+92.8	15.08	15.39	15.21
+92.9	15.11	15.17	15.07
+93.0	14.97	15.39	14.98
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+94.4	15.23	15.22	15.24
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+94.7	15.06	15.33	15.22
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+94.9	14.95	15.22	15.13
+95.0	15.0	15.29	15.09
+95.1	15.01	15.33	15.09
+95.2	15.03	15.42	15.21
+95.3	15.15	15.44	15.08
+95.4	15.19	15.3	15.04
+95.5	15.25	15.26	15.03
+95.6	15.22	15.27	15.14
+95.7	15.12	15.18	15.0
+95.8	15.23	15.36	15.17
+95.9	15.21	15.24	15.09
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+96.1	15.15	15.45	14.98
+96.2	15.16	15.41	15.16
+96.3	15.19	15.37	15.12
+96.4	15.09	15.36	15.3
+96.5	15.11	15.38	15.2
+96.6	15.27	15.15	15.37
+96.7	15.3	15.26	15.33
+96.8	15.11	15.2	15.41
+96.9	15.18	15.28	15.25
+97.0	15.29	15.3	15.14
+97.1	15.38	15.24	15.07
+97.2	15.22	15.35	15.23
+97.3	15.39	15.53	15.22
+97.4	15.1	15.48	15.23
+97.5	15.2	15.38	15.04
+97.6	15.22	15.48	14.99
+97.7	15.17	15.61	15.22
+97.8	15.3	15.48	15.21
+97.9	15.27	15.25	15.08
+98.0	15.23	15.44	15.1
+98.1	15.18	15.34	15.04
+98.2	15.2	15.5	15.12
+98.3	15.22	15.32	15.15
+98.4	15.19	15.31	15.17
+98.5	15.29	15.36	15.29
+98.6	15.17	15.45	15.08
+98.7	15.3	15.37	15.2
+98.8	15.31	15.38	15.08
+98.9	15.26	15.42	15.04
+99.0	15.38	15.33	15.17
+99.1	15.24	15.15	15.15
+99.2	15.24	15.49	15.15
+99.3	15.37	15.4	15.26
+99.4	15.2	15.26	15.21
+99.5	15.2	15.3	15.21
+99.6	15.06	15.44	15.12
+99.7	15.12	15.21	15.17
+99.8	15.19	15.25	15.2
+99.9	15.13	15.35	15.17
+100.0	15.09	15.3	15.15

atlas_1000_analysis/1bgf_A/1bgf_A_pLDDT.tsv

@@ -0,0 +1,125 @@
+seq	pLDDT
+G	53.35
+G	78.05
+S	90.74
+Q	96.12
+W	97.1
+N	96.48
+Q	96.72
+V	97.06
+Q	96.21
+Q	96.38
+L	96.79
+E	96.92
+I	96.76
+K	96.39
+F	97.21
+L	96.95
+E	96.04
+Q	95.6
+V	95.86
+D	95.15
+Q	93.44
+F	90.95
+Y	93.15
+D	85.17
+D	81.0
+N	86.94
+F	92.65
+P	93.86
+M	94.85
+E	94.33
+I	95.44
+R	96.12
+H	96.26
+L	95.98
+L	97.05
+A	97.5
+Q	96.08
+W	97.4
+I	98.06
+E	97.74
+T	97.48
+Q	98.06
+D	97.53
+W	97.94
+E	97.88
+V	97.9
+A	97.93
+S	97.44
+N	97.39
+N	97.65
+E	96.12
+T	97.01
+M	98.05
+A	97.61
+T	96.37
+I	97.36
+L	97.76
+L	96.24
+Q	96.2
+N	97.61
+L	97.23
+L	96.34
+I	97.25
+Q	97.86
+L	97.05
+D	97.12
+E	97.74
+Q	96.8
+L	97.15
+G	97.4
+R	97.02
+V	96.09
+S	97.04
+K	97.46
+E	96.77
+K	95.9
+N	96.33
+L	96.89
+L	96.8
+L	95.83
+I	97.4
+H	97.19
+N	95.91
+L	97.17
+K	97.02
+R	95.96
+I	94.56
+R	94.68
+K	93.91
+V	90.42
+L	89.87
+Q	89.24
+G	88.83
+K	85.54
+F	84.21
+H	80.89
+G	84.98
+N	91.13
+P	92.68
+M	96.22
+H	94.91
+V	94.92
+A	97.25
+V	97.0
+V	96.04
+I	96.9
+S	97.86
+N	96.94
+C	96.81
+L	97.57
+R	97.29
+E	96.79
+E	97.24
+R	97.28
+R	97.36
+I	96.7
+L	97.06
+A	96.39
+A	95.55
+A	94.55
+N	91.14
+M	86.63
+P	69.35
+I	62.8

atlas_1000_analysis/1bgf_A/README.txt

@@ -0,0 +1,40 @@
+These trajectories and corresponding analysis were downloaded from the ATLAS database (https://www.dsimb.inserm.fr/ATLAS).
+
+ATLAS gathers standardized molecular dynamics simulations of protein structures accompanied by their analysis in the form of interactive diagrams and trajectory visualization. All the raw trajectories as well as the results of analysis are available for download.
+
+
+ • ARCHIVE CONTENT •
+Protein structure and trajectory files:
+     - PDB_Name.pdb: Protein structure in PDB format used to launch the molecular dynamics (after energy minimisation and equilibrations).
+     - PDB_Name_corresp.tsv: Correspondence between the author residue number (PDB file / CIF file) and the new numbering (starting from 1).
+     - PDB_Name_R{1,2,3}.tpr: File containing the starting structure of the simulation, the molecular topology and all the simulation parameters.
+     - PDB_Name_R{1,2,3}.xtc: MD trajectory without solvent molecules. Each trajectory is of 100 ns with frames saved every 100 ps (1,000 frames in total).
+
+Results of MD simulation analysis:
+     - PDB_Name_Bfactor.tsv: Experimental B-factor values of the initial PDB structure (in Ų).
+     - PDB_Name_RMSF.tsv: RMSF values for the 3 MD replicates (in Å).
+     - PDB_Name_Neq.tsv: Local deformability index Neq for the 3 MD replicates.
+     - PDB_Name_RMSD.tsv: RMSD values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_gyr.tsv: Gyration radius values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_contacts.tsv: Residue-level interactions co-crystallized with the protein of interest (chain, ligands, ions and nucleotides within 6 Å threshold of the α-carbon of the residue).
+     - PDB_Name_pLDDT.tsv: AlphaFold2 pLDDT. pLDDT is the per-residue prediction confidence metric, not a flexibility measurement.
+
+See the ATLAS about page (https://www.dsimb.inserm.fr/ATLAS/about.html) for details.
+
+ • MOLECULAR DYNAMICS PARAMETERS •
+Download the ATLAS GROMACS molecular dynamics parameters (.mdp) and force-field files (CHARMM36m) with https://www.dsimb.inserm.fr/ATLAS/data/download/ATLAS_parameters.zip or using the REST API with `curl -X 'GET' 'https://www.dsimb.inserm.fr/ATLAS/api/MD_parameters' -o MD_parameters.zip`
+
+
+ • LICENSE •
+The ATLAS database is released under a Creative Commons Attribution-NonCommercial 4.0 International license (CC-BY-NC). This license is one of the Creative Commons licenses and allows users to share and adapt the dataset if they give credit to the copyright holder and do not use the dataset for any commercial purposes. See https://creativecommons.org/licenses/by-nc/4.0/ for details.
+Please contact us for commercial use.
+
+
+ • CONTACTS •
+For scientific collaboration, please contact:
+      Tatiana GALOCHKINA, Associate Professor, Université Paris Cité
+      tatiana.galochkina (at) u-paris.fr
+  or
+      Jean-Christophe GELLY, Professor, Université Paris Cité
+      jean-christophe.gelly (at) u-paris.fr 
+

atlas_1000_analysis/1bgf_A/extract.done

@@ -0,0 +1 @@
+ok

atlas_1000_analysis/1ctf_A/1ctf_A_R1.tpr

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b67abf278359f4730449678dfd3d16e5e4b5c0cbb9944cbb37eff7cfb56882f4
+size 891352

atlas_1000_analysis/1ctf_A/1ctf_A_R1.xtc

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+E	1.0	1.0	1.0
+A	1.0	1.0	1.0
+I	1.0	1.0	1.0
+V	1.0	1.0	1.0
+S	1.0	1.0	1.0
+S	1.0	1.0	1.0
+N	1.0	1.0	1.0
+N	1.0	1.0	1.0
+V	1.0	1.0	1.0
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+Y	1.0	1.0	1.0
+I	1.0	1.0	1.0
+A	1.0	1.0	1.0
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+I	1.0	1.0	1.0
+I	1.0	1.0	1.0
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+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+K	1.0	1.001	1.002
+E	1.436	1.894	1.566
+Q	2.683	3.167	2.366
+E	1.942	2.072	2.285
+S	2.728	2.817	2.828
+P	1.982	1.861	1.163
+V	3.054	3.24	1.934
+K	1.853	1.653	1.001
+V	1.001	1.0	1.002
+V	1.997	1.968	1.086
+G	1.0	1.0	1.0
+V	1.0	1.0	1.0
+Y	1.002	1.009	1.005
+R	1.0	1.0	1.0
+L	1.306	1.282	1.229
+I	1.012	1.021	1.018
+M	1.003	1.005	1.001
+K	1.928	1.797	2.0
+S	1.022	1.061	1.026
+N	1.0	1.0	1.0
+S	1.084	1.12	1.122
+D	1.043	1.021	1.025
+N	1.045	1.171	1.16
+F	1.392	1.26	1.152
+R	1.044	1.0	1.001
+E	2.376	2.011	1.944
+S	2.086	1.892	2.019
+A	1.0	1.0	1.0
+I	1.0	1.0	1.0
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+I	1.0	1.0	1.0
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+K	5.681	4.29	2.218
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+I	1.935	2.109	1.036
+K	1.552	1.438	1.936
+I	1.0	1.0	1.0
+I	1.0	1.0	1.0
+I	1.009	1.009	1.002
+Y	1.0	1.0	1.0
+E	1.0	1.0	1.0
+P	1.0	1.0	1.0
+M	1.819	1.947	1.943
+L	4.017	3.567	3.41
+N	2.402	2.214	1.51
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+L	2.624	1.901	1.393
+E	1.213	1.002	1.001
+S	1.222	1.011	1.008
+E	1.927	1.913	1.673
+D	2.166	2.04	1.815
+Q	1.607	1.744	1.554
+S	1.029	1.047	1.046
+V	1.002	1.087	1.01
+L	1.0	1.002	1.0
+V	1.005	1.017	1.002
+N	1.0	1.015	1.001
+D	1.825	1.936	1.89
+L	1.274	1.382	1.371
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+N	1.0	1.0	1.0
+F	1.0	1.0	1.0
+K	1.0	1.0	1.001
+K	1.0	1.0	1.0
+Q	1.813	1.731	1.667
+A	1.093	1.191	1.228
+N	1.07	1.081	1.056
+I	1.808	1.571	1.655
+I	1.0	1.0	1.0
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+N	1.0	1.0	1.0
+R	1.525	1.497	1.453
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+D	1.001	1.001	1.001
+N	1.001	1.001	1.001
+E	1.001	1.0	1.0
+L	1.002	1.002	1.001
+Q	1.0	1.003	1.004
+D	1.032	1.027	1.024
+V	1.002	1.0	1.0
+K	1.001	1.0	1.003
+N	1.052	1.028	1.06
+K	2.483	2.588	2.604
+V	1.405	1.366	1.295
+Y	1.001	1.0	1.0
+S	1.004	1.004	1.003
+R	1.0	1.0	1.0
+D	1.051	1.03	1.013
+I	1.224	1.342	1.381
+F	2.073	1.917	1.927
+G	1.0	1.003	1.0
+R	1.0	1.0	1.0
+D	1.0	1.0	1.0

atlas_1000_analysis/1dlj_A/1dlj_A_RMSD.tsv

@@ -0,0 +1,1002 @@
+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	1.14	1.04	0.99
+0.2	1.08	0.9	1.12
+0.3	1.09	1.18	1.38
+0.4	1.01	1.09	1.29
+0.5	1.34	1.1	1.25
+0.6	1.41	1.55	1.1
+0.7	1.4	2.03	1.49
+0.8	1.78	1.96	1.16
+0.9	1.97	2.21	1.38
+1.0	1.71	2.2	1.55
+1.1	2.12	2.12	1.37
+1.2	1.63	2.43	1.27
+1.3	1.67	2.26	1.42
+1.4	2.23	2.05	1.27
+1.5	1.88	2.14	1.32
+1.6	1.84	1.91	1.32
+1.7	2.71	1.94	1.45
+1.8	4.11	2.18	1.55
+1.9	3.77	2.38	1.25
+2.0	3.84	2.08	1.14
+2.1	4.02	2.77	1.42
+2.2	4.1	1.83	1.43
+2.3	3.36	1.81	1.39
+2.4	3.18	1.98	1.17
+2.5	2.44	2.01	1.23
+2.6	2.84	1.98	1.36
+2.7	2.55	1.91	1.29
+2.8	2.74	2.5	1.39
+2.9	2.6	2.46	1.26
+3.0	2.43	2.36	1.24
+3.1	2.87	2.0	1.39
+3.2	2.62	1.88	1.21
+3.3	2.4	1.96	0.94
+3.4	2.77	1.94	1.26
+3.5	2.97	2.08	1.41
+3.6	2.98	1.86	1.57
+3.7	2.76	1.8	1.76
+3.8	2.83	1.59	1.56
+3.9	3.36	1.82	1.51
+4.0	3.05	2.08	1.93
+4.1	3.49	2.48	1.35
+4.2	3.34	2.71	2.06
+4.3	3.0	2.09	2.81
+4.4	3.27	1.89	2.78
+4.5	3.47	2.01	2.89
+4.6	3.94	2.02	2.95
+4.7	3.64	2.03	2.96
+4.8	3.5	2.86	2.81
+4.9	3.64	2.33	2.53
+5.0	3.68	2.12	2.36
+5.1	3.21	2.35	3.48
+5.2	3.58	2.19	2.73
+5.3	3.27	1.84	2.7
+5.4	3.58	1.83	2.47
+5.5	3.44	2.3	2.77
+5.6	3.67	1.9	2.65
+5.7	3.19	1.98	2.75
+5.8	3.4	1.89	2.2
+5.9	3.96	2.18	2.26
+6.0	4.33	1.96	2.54
+6.1	4.71	1.69	2.73
+6.2	4.77	1.99	2.83
+6.3	4.09	1.84	2.75
+6.4	4.35	1.94	2.19
+6.5	4.92	1.84	2.23
+6.6	4.22	2.0	2.45
+6.7	4.74	2.22	2.09
+6.8	4.9	1.92	2.25
+6.9	4.37	1.92	2.88
+7.0	4.22	2.01	3.04
+7.1	3.99	2.2	2.6
+7.2	4.77	2.16	3.22
+7.3	4.56	1.96	3.13
+7.4	4.4	2.38	2.9
+7.5	4.04	2.33	2.74
+7.6	4.42	2.3	2.77
+7.7	3.92	2.3	3.08
+7.8	3.44	1.83	3.27
+7.9	3.39	1.96	2.71
+8.0	3.32	2.01	3.31
+8.1	3.71	2.35	3.88
+8.2	4.23	2.42	3.16
+8.3	4.13	2.19	2.46
+8.4	4.14	2.07	2.67
+8.5	3.65	2.08	2.89
+8.6	3.29	1.75	2.54
+8.7	3.48	1.92	2.29
+8.8	3.4	1.64	1.8
+8.9	3.98	2.08	2.11
+9.0	3.98	1.59	2.73
+9.1	4.19	1.8	2.14
+9.2	4.47	2.25	2.83
+9.3	3.82	2.22	2.6
+9.4	4.24	2.53	3.6
+9.5	4.2	2.28	2.46
+9.6	4.36	2.49	1.6
+9.7	4.09	2.64	2.08
+9.8	4.07	2.79	2.52
+9.9	5.42	3.06	2.02
+10.0	4.43	2.71	2.71
+10.1	4.73	2.22	2.04
+10.2	4.75	2.01	1.76
+10.3	3.69	2.02	2.05
+10.4	3.62	1.78	2.58
+10.5	3.66	1.82	2.28
+10.6	3.64	1.91	2.86
+10.7	3.65	1.59	2.39
+10.8	3.4	1.51	2.24
+10.9	3.96	1.47	2.29
+11.0	3.77	1.96	2.37
+11.1	4.65	1.93	2.38
+11.2	4.34	2.38	2.56
+11.3	3.65	1.99	2.28
+11.4	3.55	2.01	2.1
+11.5	3.68	1.64	1.81
+11.6	3.62	1.87	1.85
+11.7	3.43	1.64	1.89
+11.8	3.06	2.11	1.89
+11.9	3.38	2.42	2.38
+12.0	4.18	2.84	2.22
+12.1	4.51	2.56	2.23
+12.2	4.09	2.48	2.06
+12.3	3.26	2.83	2.08
+12.4	3.63	2.54	2.22
+12.5	3.06	2.39	2.35
+12.6	3.49	2.12	2.42
+12.7	3.52	2.29	2.23
+12.8	3.67	2.91	2.12
+12.9	4.06	2.06	2.23
+13.0	4.02	2.61	2.11
+13.1	4.06	2.55	1.71
+13.2	3.41	2.47	2.17
+13.3	3.75	2.3	2.18
+13.4	4.04	2.68	2.06
+13.5	4.1	2.04	2.04
+13.6	3.52	2.41	2.26
+13.7	3.4	3.12	2.64
+13.8	3.34	2.72	2.1
+13.9	3.58	2.5	2.45
+14.0	3.12	2.32	3.0
+14.1	3.17	3.2	2.61
+14.2	2.86	3.16	2.38
+14.3	2.8	2.78	2.8
+14.4	3.07	2.37	3.45
+14.5	3.52	2.98	2.31
+14.6	3.81	2.46	2.11
+14.7	3.55	2.4	2.9
+14.8	4.3	2.56	2.38
+14.9	3.53	2.43	3.36
+15.0	4.07	3.01	3.12
+15.1	5.01	2.82	3.2
+15.2	4.61	2.99	3.21
+15.3	4.57	3.27	3.08
+15.4	3.85	2.98	3.51
+15.5	4.21	2.43	2.8
+15.6	5.22	2.16	3.02
+15.7	4.81	2.6	3.63
+15.8	4.59	3.12	3.19
+15.9	4.69	2.25	3.54
+16.0	4.73	2.17	3.25
+16.1	4.11	2.9	2.84
+16.2	4.55	2.85	2.74
+16.3	4.82	2.76	2.43
+16.4	3.8	3.09	2.87
+16.5	4.93	3.17	2.94
+16.6	4.17	2.59	2.72
+16.7	5.24	2.78	3.56
+16.8	5.02	3.42	4.37
+16.9	5.64	2.67	3.72
+17.0	5.38	2.5	2.38
+17.1	4.61	2.38	2.74
+17.2	4.57	2.56	2.57
+17.3	4.25	2.72	2.59
+17.4	4.43	2.67	3.0
+17.5	5.11	2.75	3.05
+17.6	4.32	2.58	3.54
+17.7	4.46	2.09	3.79
+17.8	3.69	2.49	3.07
+17.9	3.27	2.85	4.15
+18.0	3.92	2.82	4.31
+18.1	4.02	2.9	3.78
+18.2	3.83	3.46	3.74
+18.3	4.15	2.48	3.44
+18.4	4.12	2.27	4.0
+18.5	5.36	2.74	3.77
+18.6	5.45	3.43	3.54
+18.7	4.34	3.19	2.83
+18.8	4.06	3.28	3.39
+18.9	3.44	3.32	3.52
+19.0	3.75	3.23	3.42
+19.1	3.73	2.68	3.71
+19.2	3.72	3.02	3.66
+19.3	3.99	3.14	3.25
+19.4	4.08	2.67	2.65
+19.5	3.94	2.53	3.72
+19.6	3.49	2.62	4.11
+19.7	3.27	2.95	3.84
+19.8	4.0	2.9	3.87
+19.9	3.37	3.23	3.12
+20.0	3.53	3.55	4.0
+20.1	3.53	4.85	3.6
+20.2	3.54	4.36	4.19
+20.3	3.55	4.66	3.85
+20.4	3.63	4.8	4.24
+20.5	3.85	3.92	4.48
+20.6	3.71	4.52	4.01
+20.7	3.17	4.43	4.28
+20.8	3.29	4.68	3.84
+20.9	3.75	4.46	3.74
+21.0	3.9	3.97	3.81
+21.1	3.18	3.99	3.96
+21.2	3.22	3.79	3.77
+21.3	3.35	3.57	3.6
+21.4	3.31	4.08	4.47
+21.5	3.99	3.42	3.03
+21.6	4.04	3.83	3.24
+21.7	3.33	3.52	3.38
+21.8	3.6	3.42	2.56
+21.9	3.68	4.17	2.81
+22.0	3.4	3.96	2.55
+22.1	3.27	3.82	3.25
+22.2	3.59	3.73	3.25
+22.3	3.45	3.04	2.95
+22.4	3.43	3.55	3.26
+22.5	3.21	3.41	3.36
+22.6	3.13	3.82	3.03
+22.7	3.15	3.51	2.63
+22.8	2.83	2.99	3.14
+22.9	3.15	3.78	3.85
+23.0	3.01	4.05	3.64
+23.1	3.07	4.84	3.57
+23.2	2.77	4.52	3.67
+23.3	2.56	4.96	4.11
+23.4	3.4	5.43	4.7
+23.5	3.5	5.12	4.69
+23.6	3.45	4.63	4.14
+23.7	3.17	4.31	4.87
+23.8	3.21	3.73	4.99
+23.9	3.21	4.4	4.84
+24.0	2.78	4.16	4.17
+24.1	2.91	3.26	4.37
+24.2	3.27	3.06	5.0
+24.3	3.26	3.32	4.47
+24.4	3.57	3.13	4.56
+24.5	2.91	3.42	4.88
+24.6	3.37	3.47	4.15
+24.7	3.31	3.46	4.28
+24.8	3.22	3.22	4.07
+24.9	3.2	3.65	4.38
+25.0	3.16	3.29	4.61
+25.1	3.15	3.5	4.29
+25.2	3.31	3.7	4.77
+25.3	4.19	2.97	3.8
+25.4	3.81	2.98	4.03
+25.5	3.99	3.45	4.13
+25.6	3.83	3.46	3.83
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+25.8	3.64	2.97	3.87
+25.9	3.65	3.5	4.13
+26.0	3.39	3.0	3.91
+26.1	3.9	3.79	3.28
+26.2	3.7	4.33	3.55
+26.3	3.91	3.76	3.51
+26.4	3.64	3.2	4.09
+26.5	3.57	3.46	4.49
+26.6	3.22	2.81	3.89
+26.7	3.49	3.59	3.68
+26.8	3.58	3.51	4.21
+26.9	3.44	3.49	3.73
+27.0	3.19	3.34	3.8
+27.1	2.79	3.52	3.83
+27.2	2.72	3.04	3.22
+27.3	3.13	2.78	3.48
+27.4	3.59	3.21	3.79
+27.5	2.94	3.67	3.97
+27.6	2.73	4.07	3.61
+27.7	2.62	4.24	3.58
+27.8	3.08	3.88	3.24
+27.9	2.58	3.56	3.02
+28.0	3.28	3.29	3.1
+28.1	3.21	3.19	3.12
+28.2	2.8	3.08	2.91
+28.3	2.92	3.31	2.75
+28.4	3.09	3.75	2.37
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+28.6	2.85	3.22	1.99
+28.7	2.87	2.76	2.38
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+28.9	2.4	3.85	2.09
+29.0	3.11	3.33	2.02
+29.1	2.89	3.25	2.54
+29.2	3.49	2.52	2.2
+29.3	3.23	2.39	3.15
+29.4	3.72	2.24	2.49
+29.5	3.83	2.38	2.35
+29.6	3.31	3.06	2.35
+29.7	3.54	2.58	2.53
+29.8	3.37	3.07	2.88
+29.9	3.03	3.3	2.88
+30.0	3.31	3.82	3.21
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+30.2	3.25	2.82	3.01
+30.3	3.43	3.1	2.82
+30.4	3.15	3.03	2.71
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+31.2	3.16	4.31	3.77
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+31.4	3.77	4.81	4.09
+31.5	3.54	4.72	3.98
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+31.7	3.19	5.22	3.68
+31.8	2.7	4.97	3.65
+31.9	3.08	4.67	3.94
+32.0	3.19	3.87	4.24
+32.1	2.95	3.69	3.02
+32.2	2.9	3.94	4.1
+32.3	2.5	4.06	2.89
+32.4	3.02	3.99	3.62
+32.5	3.18	4.01	3.75
+32.6	3.39	3.52	4.05
+32.7	3.31	3.86	3.48
+32.8	3.12	4.09	3.96
+32.9	3.58	3.63	4.18
+33.0	3.85	3.78	3.85
+33.1	3.29	4.05	4.58
+33.2	3.79	4.41	5.36
+33.3	3.48	4.19	5.07
+33.4	4.54	4.28	4.18
+33.5	4.04	3.99	3.57
+33.6	4.71	5.0	3.79
+33.7	3.76	5.03	4.35
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+79.3	4.18	3.54	2.46
+79.4	4.28	3.96	2.38
+79.5	4.38	4.41	2.8
+79.6	4.2	4.29	2.83
+79.7	3.94	4.17	2.41
+79.8	3.83	3.53	3.1
+79.9	3.45	4.21	2.67
+80.0	3.67	4.16	2.5
+80.1	3.5	3.51	2.47
+80.2	3.72	3.47	3.39
+80.3	3.32	3.46	3.37
+80.4	3.07	3.93	2.78
+80.5	3.84	4.31	2.84
+80.6	3.51	4.43	3.65
+80.7	3.76	5.12	3.41
+80.8	3.7	3.73	3.23
+80.9	3.61	3.8	3.41
+81.0	3.53	3.94	3.57
+81.1	3.77	3.05	3.68
+81.2	3.62	3.85	3.23
+81.3	3.68	4.52	3.62
+81.4	3.35	3.48	3.23
+81.5	3.2	3.65	3.44
+81.6	3.42	3.87	3.22
+81.7	3.46	4.14	3.27
+81.8	3.91	4.45	3.12
+81.9	3.2	4.2	3.24
+82.0	3.47	4.69	2.83
+82.1	3.29	4.2	2.68
+82.2	3.57	4.56	2.44
+82.3	3.05	4.47	2.32
+82.4	3.53	4.25	2.26
+82.5	3.52	3.71	2.12
+82.6	3.28	3.99	2.76
+82.7	3.66	4.14	3.35
+82.8	3.65	4.03	3.12
+82.9	3.33	4.02	3.75
+83.0	3.37	3.99	3.02
+83.1	3.07	3.78	2.88
+83.2	3.53	4.06	2.45
+83.3	3.79	4.34	2.76
+83.4	3.39	4.07	2.96
+83.5	3.57	4.31	2.71
+83.6	3.46	4.17	2.87
+83.7	3.14	3.85	2.59
+83.8	3.23	3.58	2.43
+83.9	3.56	3.29	2.48
+84.0	3.57	4.81	2.22
+84.1	3.41	4.2	2.03
+84.2	3.77	4.11	2.59
+84.3	3.72	4.2	2.3
+84.4	4.1	3.47	2.05
+84.5	3.9	3.71	2.45
+84.6	3.43	4.09	2.96
+84.7	3.8	3.97	2.15
+84.8	3.57	3.94	2.46
+84.9	3.73	3.6	2.15
+85.0	3.72	4.31	1.92
+85.1	3.49	4.81	2.1
+85.2	3.64	4.4	2.73
+85.3	3.42	4.36	2.67
+85.4	3.54	5.07	2.37
+85.5	3.41	4.15	2.43
+85.6	3.73	3.36	2.38
+85.7	3.47	3.42	2.32
+85.8	3.26	3.43	2.46
+85.9	3.59	4.42	2.78
+86.0	3.73	4.03	2.42
+86.1	3.39	3.95	3.4
+86.2	3.55	3.8	3.28
+86.3	3.51	3.0	3.37
+86.4	3.55	3.44	3.39
+86.5	3.52	3.3	3.16
+86.6	4.11	3.69	2.97
+86.7	4.23	3.75	2.65
+86.8	3.62	3.49	2.69
+86.9	3.08	3.93	2.71
+87.0	3.14	4.01	3.03
+87.1	3.02	3.05	2.99
+87.2	3.54	3.28	3.11
+87.3	3.33	3.27	2.82
+87.4	3.23	4.07	3.38
+87.5	3.46	4.23	3.29
+87.6	3.51	4.56	2.66
+87.7	3.3	3.61	3.13
+87.8	3.17	3.71	3.16
+87.9	3.33	3.65	2.93
+88.0	3.71	3.49	2.7
+88.1	3.3	3.64	2.43
+88.2	3.49	3.72	2.5
+88.3	3.31	2.55	2.5
+88.4	3.7	3.09	2.4
+88.5	3.66	3.72	2.62
+88.6	3.06	3.91	2.52
+88.7	3.39	3.8	2.75
+88.8	3.66	3.68	2.91
+88.9	3.4	3.51	2.94
+89.0	3.4	3.28	2.65
+89.1	3.65	3.56	3.32
+89.2	4.0	3.09	2.61
+89.3	3.7	3.2	3.13
+89.4	3.79	3.37	2.55
+89.5	3.19	3.55	2.71
+89.6	3.75	3.57	2.47
+89.7	3.31	3.87	2.87
+89.8	2.91	3.91	2.34
+89.9	3.0	3.55	2.45
+90.0	3.55	3.56	2.34
+90.1	3.91	3.35	2.54
+90.2	3.99	3.95	2.58
+90.3	4.27	4.2	2.7
+90.4	4.03	3.86	2.77
+90.5	3.78	3.47	2.79
+90.6	4.11	3.45	3.12
+90.7	3.96	3.03	2.92
+90.8	3.77	3.38	2.98
+90.9	3.24	3.86	3.15
+91.0	3.54	3.72	3.37
+91.1	3.64	3.87	3.43
+91.2	3.65	4.58	3.07
+91.3	3.05	4.47	3.16
+91.4	3.49	4.08	3.28
+91.5	3.55	3.62	3.02
+91.6	3.1	3.94	3.29
+91.7	3.07	4.45	2.52
+91.8	3.13	4.19	3.24
+91.9	3.4	4.33	2.97
+92.0	3.03	4.19	3.32
+92.1	3.31	4.69	2.42
+92.2	3.3	4.45	3.52
+92.3	3.21	3.46	2.87
+92.4	3.44	3.28	2.8
+92.5	3.56	2.9	2.5
+92.6	3.54	3.16	2.68
+92.7	3.07	3.25	2.36
+92.8	3.0	2.45	2.89
+92.9	3.47	3.25	2.91
+93.0	3.52	2.96	3.09
+93.1	3.21	3.84	2.82
+93.2	3.48	4.34	2.46
+93.3	4.52	3.98	2.71
+93.4	4.5	4.09	2.61
+93.5	4.23	4.13	2.75
+93.6	3.91	4.87	2.7
+93.7	3.69	4.71	2.86
+93.8	3.2	4.0	2.97
+93.9	3.76	4.76	2.5
+94.0	2.87	4.25	2.91
+94.1	3.55	5.11	2.71
+94.2	3.9	4.44	2.86
+94.3	4.1	4.72	2.84
+94.4	3.09	4.4	2.73
+94.5	3.12	4.87	2.91
+94.6	3.71	4.79	2.71
+94.7	3.06	5.56	2.29
+94.8	3.49	4.81	2.23
+94.9	3.57	4.94	2.5
+95.0	3.14	4.66	2.92
+95.1	3.0	4.65	2.48
+95.2	3.36	4.95	2.12
+95.3	3.55	4.91	2.2
+95.4	3.55	4.51	2.3
+95.5	3.36	4.29	2.08
+95.6	3.75	3.97	2.23
+95.7	4.24	4.48	2.38
+95.8	3.91	4.69	2.9
+95.9	3.48	4.32	2.55
+96.0	3.86	3.84	2.89
+96.1	3.61	4.45	2.92
+96.2	3.46	5.09	2.87
+96.3	3.75	5.15	3.14
+96.4	4.0	4.47	2.54
+96.5	3.79	4.48	2.68
+96.6	4.46	4.27	2.52
+96.7	3.4	4.25	3.19
+96.8	4.01	3.97	2.64
+96.9	4.06	4.06	2.51
+97.0	3.75	5.02	2.14
+97.1	4.14	5.03	2.73
+97.2	4.12	4.78	2.45
+97.3	3.66	4.2	2.43
+97.4	3.72	3.93	3.04
+97.5	3.5	4.74	3.1
+97.6	3.24	4.04	3.81
+97.7	3.42	4.27	3.23
+97.8	3.48	4.33	3.2
+97.9	3.3	4.71	3.19
+98.0	3.05	5.16	3.56
+98.1	3.71	5.14	3.46
+98.2	3.61	5.67	3.62
+98.3	3.5	5.36	4.01
+98.4	3.27	4.87	3.27
+98.5	3.19	4.74	2.97
+98.6	3.72	5.21	2.89
+98.7	3.4	5.89	2.85
+98.8	3.41	5.12	2.33
+98.9	3.32	4.86	2.4
+99.0	3.16	5.29	2.26
+99.1	3.02	5.49	2.41
+99.2	3.22	5.49	2.25
+99.3	3.52	6.09	2.25
+99.4	3.78	5.4	2.54
+99.5	3.51	5.19	2.4
+99.6	3.46	4.67	2.8
+99.7	3.62	4.07	2.93
+99.8	3.68	4.11	2.41
+99.9	3.39	3.88	2.51
+100.0	3.06	3.93	1.98

atlas_1000_analysis/1dlj_A/1dlj_A_RMSF.tsv

@@ -0,0 +1,403 @@
+seq	RMSF_R1	RMSF_R2	RMSF_R3
+M	1.3	1.52	1.5
+K	1.15	1.33	1.39
+I	0.93	1.1	1.13
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+G	1.06	1.31	1.21
+L	1.17	1.62	1.41
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+L	0.97	1.18	1.07
+G	1.07	1.35	1.24
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+L	1.08	1.55	1.21
+L	1.02	1.36	1.16
+S	1.18	1.56	1.42
+L	1.39	1.84	1.67
+Q	1.44	1.8	1.82
+N	1.23	1.51	1.44
+E	1.22	1.49	1.48
+V	1.08	1.36	1.32
+T	1.13	1.45	1.41
+I	1.15	1.5	1.39
+V	1.25	1.56	1.42
+D	1.43	1.84	1.62
+I	1.82	2.22	2.0
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+I	1.67	2.3	2.09
+N	1.84	2.45	2.29
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+G	1.95	2.71	2.46
+L	1.96	2.78	2.45
+S	1.81	2.59	2.26
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+I	1.95	2.62	2.25
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+E	2.17	2.98	2.26
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+I	1.74	2.46	1.8
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+L	1.53	2.05	2.1
+S	1.44	1.86	2.44
+I	1.37	1.8	1.78
+K	1.43	1.9	1.78
+A	1.43	1.91	1.77
+T	1.54	1.99	1.84
+L	1.72	2.11	1.92
+D	1.69	2.01	1.87
+S	1.34	1.69	1.56
+K	1.5	1.73	1.59
+A	1.89	1.79	1.71
+A	1.54	1.54	1.48
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+A	1.06	1.27	1.3
+E	1.06	1.28	1.33
+L	0.86	0.96	1.0
+V	0.77	0.84	0.89
+I	0.71	0.78	0.78
+I	0.76	0.85	0.81
+A	0.89	1.08	0.99
+T	1.04	1.36	1.25
+P	1.13	1.61	1.45
+T	1.04	1.45	1.35
+N	1.15	1.71	1.74
+Y	1.11	1.77	1.6
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+S	1.56	2.36	2.11
+R	1.81	2.58	2.4
+I	1.72	2.34	2.14
+N	1.5	2.16	1.92
+Y	1.26	1.64	1.42
+F	1.06	1.37	1.24
+D	1.15	1.42	1.22
+T	1.03	1.28	1.06
+Q	1.16	1.48	1.24
+H	1.21	1.51	1.33
+V	1.02	1.24	0.99
+E	1.04	1.24	0.98
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+V	1.12	1.32	1.07
+I	1.0	1.17	0.88
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+L	1.14	1.35	1.17
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+S	1.41	1.78	1.65
+H	1.26	1.71	1.5
+A	1.03	1.33	1.25
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+L	0.68	0.77	0.67
+I	0.56	0.67	0.54
+I	0.6	0.66	0.55
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+T	0.89	1.11	0.99
+I	0.74	0.94	0.84
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+I	0.68	0.91	0.66
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+M	0.9	1.16	0.84
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+Q	1.13	1.54	1.11
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+F	1.31	1.61	1.18
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+I	0.67	0.94	0.61
+I	0.61	0.84	0.53
+F	0.56	0.72	0.48
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+P	0.79	0.84	0.69
+E	0.98	0.99	0.88
+F	1.17	1.31	1.07
+L	1.26	1.47	1.18
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+E	1.94	2.0	1.68
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+A	1.4	1.74	1.4
+L	1.25	1.81	1.37
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+N	1.04	1.53	1.15
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+S	1.29	1.88	1.36
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+I	0.82	1.23	0.84
+I	0.72	1.06	0.71
+V	0.67	0.97	0.66
+S	0.73	1.0	0.68
+C	1.02	1.56	0.88
+E	1.26	1.94	1.24
+E	1.77	2.18	1.69
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+D	1.22	1.91	1.23
+S	1.42	2.0	1.35
+P	1.52	2.0	1.5
+K	1.32	1.79	1.35
+V	1.0	1.59	1.02
+K	1.08	1.63	1.14
+A	1.15	1.6	1.23
+D	0.95	1.34	1.01
+A	0.84	1.29	0.88
+E	1.02	1.45	1.11
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+F	0.82	1.07	0.85
+A	0.87	1.2	0.93
+L	1.05	1.41	1.14
+L	1.0	1.28	1.08
+L	0.9	1.22	0.96
+K	1.05	1.48	1.12
+S	1.17	1.63	1.25
+A	1.15	1.6	1.25
+A	1.14	1.68	1.21
+K	1.34	2.0	1.39
+K	1.46	2.06	1.53
+N	1.96	2.52	2.15
+N	1.68	2.19	1.71
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+P	1.27	1.84	1.27
+V	1.04	1.57	1.03
+L	1.03	1.5	0.98
+I	1.02	1.47	0.94
+M	1.03	1.37	0.93
+G	1.08	1.34	0.9
+A	1.28	1.58	0.78
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+A	0.91	0.94	0.73
+E	0.67	0.88	0.74
+A	0.74	1.12	0.9
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+K	0.72	1.18	0.89
+L	0.78	1.06	1.03
+F	0.84	1.06	1.14
+A	0.88	1.21	1.19
+N	0.86	1.17	1.17
+T	0.81	1.03	1.05
+Y	0.8	1.11	1.02
+L	0.8	1.15	1.03
+A	0.74	0.97	0.88
+L	0.74	0.97	0.82
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+V	0.73	1.01	0.79
+A	0.71	0.89	0.67
+Y	0.82	1.06	0.76
+F	0.78	1.08	0.76
+N	0.66	0.87	0.63
+E	0.78	1.04	0.75
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+D	0.76	1.14	0.81
+T	0.8	1.11	0.81
+Y	1.0	1.43	1.06
+A	1.06	1.55	1.18
+E	1.1	1.52	1.17
+S	1.33	1.7	1.31
+R	1.5	1.96	1.55
+K	1.49	2.03	1.6
+L	1.43	2.0	1.54
+N	1.35	1.98	1.46
+S	1.12	1.71	1.21
+H	1.33	2.0	1.36
+M	1.47	2.18	1.48
+I	1.32	1.96	1.33
+I	1.32	1.8	1.33
+Q	1.72	2.2	1.63
+G	1.76	2.37	1.7
+I	1.78	2.1	1.74
+S	2.76	2.16	1.97
+Y	4.01	2.67	2.44
+D	3.92	2.75	2.45
+D	4.1	2.98	3.45
+R	3.33	2.82	4.46
+I	2.72	2.23	3.33
+G	2.42	2.17	2.76
+M	2.45	2.05	2.37
+H	1.87	1.78	1.74
+Y	1.25	1.52	1.29
+N	1.16	1.43	1.18
+N	0.98	1.32	1.01
+P	0.76	1.05	0.78
+S	0.66	0.91	0.7
+F	0.61	0.8	0.61
+G	0.68	0.82	0.63
+Y	0.74	1.11	0.77
+G	0.9	1.57	1.03
+G	1.08	2.0	1.36
+Y	0.95	1.74	1.38
+S	1.01	1.46	1.55
+L	0.9	1.23	1.18
+P	0.79	1.08	1.12
+K	0.84	1.18	1.22
+D	0.77	1.01	1.09
+T	0.76	0.95	1.1
+K	0.85	1.06	1.18
+Q	0.82	1.03	1.1
+L	0.76	0.94	1.04
+L	0.86	1.04	1.19
+A	0.98	1.16	1.21
+N	0.95	1.12	1.17
+Y	1.11	1.2	1.34
+N	1.84	2.26	1.64
+N	2.17	3.57	1.91
+I	1.99	3.16	1.65
+P	2.12	3.48	1.64
+Q	1.68	2.65	1.63
+T	1.41	2.06	1.34
+L	1.13	1.31	1.15
+I	0.88	0.99	1.0
+E	0.91	1.0	0.98
+A	0.89	1.01	0.89
+I	0.83	0.9	0.81
+V	0.87	0.94	0.88
+S	0.96	1.08	0.87
+S	0.84	0.97	0.73
+N	0.74	0.84	0.66
+N	0.85	1.0	0.79
+V	0.82	1.04	0.77
+R	0.66	0.84	0.63
+K	0.72	0.87	0.69
+S	0.83	1.07	0.82
+Y	0.77	1.01	0.8
+I	0.72	0.87	0.76
+A	0.84	1.04	0.88
+K	0.93	1.18	1.0
+Q	0.89	1.05	0.99
+I	0.93	1.0	1.02
+I	1.1	1.27	1.18
+N	1.22	1.4	1.28
+V	1.28	1.34	1.32
+L	1.37	1.32	1.42
+K	1.68	1.68	1.63
+E	1.92	1.94	1.88
+Q	1.92	1.9	1.88
+E	2.43	2.68	2.23
+S	2.39	2.49	2.14
+P	2.59	2.75	2.31
+V	2.33	2.44	1.98
+K	1.46	1.75	1.6
+V	1.38	1.63	1.53
+V	1.16	1.42	1.32
+G	1.23	1.52	1.34
+V	1.13	1.46	1.23
+Y	1.23	1.6	1.33
+R	1.28	1.69	1.37
+L	1.23	1.59	1.29
+I	1.34	1.81	1.36
+M	1.21	1.82	1.22
+K	1.39	2.19	1.24
+S	1.73	2.71	1.44
+N	2.07	3.22	1.99
+S	1.82	2.6	1.76
+D	1.98	2.72	1.94
+N	1.63	2.24	1.67
+F	1.32	1.99	1.64
+R	1.19	2.16	1.82
+E	1.03	1.82	1.38
+S	1.33	1.39	1.08
+A	0.86	1.05	0.86
+I	0.92	1.11	0.92
+K	1.11	1.42	1.11
+D	1.03	1.27	1.0
+V	0.89	1.16	0.9
+I	1.1	1.49	1.1
+D	1.32	1.62	1.18
+I	1.27	1.55	1.13
+L	1.34	1.75	1.22
+K	1.68	2.05	1.46
+S	2.47	2.64	1.64
+K	2.55	3.08	1.61
+D	1.94	2.37	1.73
+I	1.46	1.82	1.53
+K	1.48	1.84	1.57
+I	1.34	1.73	1.44
+I	1.4	1.82	1.54
+I	1.42	1.85	1.52
+Y	1.52	1.98	1.6
+E	1.64	2.15	1.66
+P	2.04	2.64	1.96
+M	2.04	2.68	1.97
+L	2.08	2.66	1.96
+N	2.67	3.23	2.39
+K	2.72	3.32	2.6
+L	2.3	2.94	2.38
+E	2.58	3.15	2.59
+S	3.0	3.43	2.97
+E	2.52	3.27	2.81
+D	2.0	2.79	2.38
+Q	1.96	2.57	2.39
+S	1.65	2.19	2.02
+V	1.7	2.28	1.89
+L	1.76	2.31	1.86
+V	1.91	2.33	1.88
+N	2.1	2.63	2.1
+D	2.09	2.58	2.12
+L	1.88	2.35	1.94
+E	2.01	2.39	2.04
+N	1.98	2.32	2.02
+F	1.67	2.03	1.76
+K	1.64	1.94	1.73
+K	1.84	2.04	1.9
+Q	1.7	1.92	1.78
+A	1.42	1.63	1.54
+N	1.38	1.49	1.49
+I	1.18	1.33	1.32
+I	1.1	1.35	1.25
+V	0.97	1.15	1.07
+T	0.95	1.25	1.07
+N	0.89	1.18	0.96
+R	0.93	1.43	1.2
+Y	1.09	1.64	1.34
+D	1.35	1.96	1.56
+N	1.72	2.34	1.81
+E	1.67	2.28	1.85
+L	1.51	2.0	1.64
+Q	1.71	2.2	1.81
+D	1.85	2.23	1.89
+V	1.58	1.91	1.69
+K	1.51	1.86	1.62
+N	1.52	1.84	1.64
+K	1.34	1.58	1.44
+V	1.13	1.43	1.24
+Y	0.95	1.16	1.05
+S	0.82	1.13	0.97
+R	0.76	1.11	0.89
+D	0.86	1.32	1.04
+I	1.11	1.56	1.25
+F	1.32	1.76	1.41
+G	1.4	1.79	1.42
+R	1.44	1.75	1.42
+D	1.42	1.88	1.33

atlas_1000_analysis/1dlj_A/1dlj_A_contacts.tsv

@@ -0,0 +1,403 @@
+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+M	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+A	0	1	0	0	-	A:NAI,403	-	-
+G	0	1	0	0	-	A:NAI,403	-	-
+S	0	1	0	0	-	A:NAI,403	-	-
+G	0	1	0	0	-	A:NAI,403	-	-
+Y	0	1	0	0	-	A:NAI,403	-	-
+V	0	1	0	0	-	A:NAI,403	-	-
+G	0	1	0	0	-	A:NAI,403	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+V	0	1	0	0	-	A:NAI,403	-	-
+D	0	1	0	0	-	A:NAI,403	-	-
+I	0	1	0	0	-	A:NAI,403	-	-
+L	0	1	0	0	-	A:NAI,403	-	-
+P	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+A	0	1	0	0	-	A:NAI,403	-	-
+T	0	1	0	0	-	A:NAI,403	-	-
+P	0	2	0	0	-	A:NAI,403;A:GOL,409	-	-
+T	0	1	0	0	-	A:NAI,403	-	-
+N	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+H	0	1	0	0	-	A:NAI,403	-	-
+V	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+V	0	1	0	0	-	A:NAI,403	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	1	0	0	-	A:NAI,403	-	-
+S	0	1	0	0	-	A:NAI,403	-	-
+T	0	1	0	0	-	A:NAI,403	-	-
+I	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+E	0	2	0	0	-	A:NAI,403;A:UGA,404	-	-
+F	0	3	0	0	-	A:NAI,403;A:UGA,404;A:GOL,410	-	-
+L	0	3	0	0	-	A:NAI,403;A:UGA,404;A:GOL,410	-	-
+R	0	2	0	0	-	A:NAI,403;A:UGA,404	-	-
+E	0	2	0	0	-	A:NAI,403;A:UGA,404	-	-
+S	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+D	0	1	0	0	-	A:GOL,410	-	-
+N	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+P	0	1	0	0	-	A:GOL,410	-	-
+S	0	1	0	0	-	A:GOL,410	-	-
+R	0	1	0	0	-	A:GOL,410	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+V	0	1	0	0	-	A:UGA,404	-	-
+A	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+Y	0	1	0	0	-	A:UGA,404	-	-
+N	0	1	0	0	-	A:UGA,404	-	-
+N	0	1	0	0	-	A:UGA,404	-	-
+P	0	1	0	0	-	A:UGA,404	-	-
+S	0	1	0	0	-	A:UGA,404	-	-
+F	0	0	0	0	-	-	-	-
+G	0	1	0	0	-	A:UGA,404	-	-
+Y	0	1	0	0	-	A:UGA,404	-	-
+G	0	1	0	0	-	A:UGA,404	-	-
+G	0	1	0	0	-	A:UGA,404	-	-
+Y	0	1	0	0	-	A:GOL,409	-	-
+S	0	2	0	0	-	A:NAI,403;A:UGA,404	-	-
+L	0	1	0	0	-	A:UGA,404	-	-
+P	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+N	0	1	0	0	-	A:GOL,408	-	-
+I	0	1	0	0	-	A:GOL,408	-	-
+P	0	1	0	0	-	A:GOL,408	-	-
+Q	0	1	0	0	-	A:GOL,408	-	-
+T	0	1	0	0	-	A:GOL,408	-	-
+L	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
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+D	0	1	0	0	-	A:UGA,404	-	-

atlas_1000_analysis/1dlj_A/1dlj_A_corresp.tsv

@@ -0,0 +1,403 @@
+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+M	M	1	1	1	0	0	0	0	0
+K	K	2	2	2	0	0	0	0	0
+I	I	3	3	3	0	0	0	0	0
+A	A	4	4	4	0	0	0	0	0
+V	V	5	5	5	0	0	0	0	0
+A	A	6	6	6	0	0	0	0	0
+G	G	7	7	7	0	0	0	0	0
+S	S	8	8	8	0	0	0	0	0
+G	G	9	9	9	0	0	0	0	0
+Y	Y	10	10	10	0	0	0	0	0
+V	V	11	11	11	0	0	0	0	0
+G	G	12	12	12	0	0	0	0	0
+L	L	13	13	13	0	0	0	0	0
+S	S	14	14	14	0	0	0	0	0
+L	L	15	15	15	0	0	0	0	0
+G	G	16	16	16	0	0	0	0	0
+V	V	17	17	17	0	0	0	0	0
+L	L	18	18	18	0	0	0	0	0
+L	L	19	19	19	0	0	0	0	0
+S	S	20	20	20	0	0	0	0	0
+L	L	21	21	21	0	0	0	0	0
+Q	Q	22	22	22	0	0	0	0	0
+N	N	23	23	23	0	0	0	0	0
+E	E	24	24	24	0	0	0	0	0
+V	V	25	25	25	0	0	0	0	0
+T	T	26	26	26	0	0	0	0	0
+I	I	27	27	27	0	0	0	0	0
+V	V	28	28	28	0	0	0	0	0
+D	D	29	29	29	0	0	0	0	0
+I	I	30	30	30	0	0	0	0	0
+L	L	31	31	31	0	0	0	0	0
+P	P	32	32	32	0	0	0	0	0
+S	S	33	33	33	0	0	0	0	0
+K	K	34	34	34	0	0	0	0	0
+V	V	35	35	35	0	0	0	0	0
+D	D	36	36	36	0	0	0	0	0
+K	K	37	37	37	0	0	0	0	0
+I	I	38	38	38	0	0	0	0	0
+N	N	39	39	39	0	0	0	0	0
+N	N	40	40	40	0	0	0	0	0
+G	G	41	41	41	0	0	0	0	0
+L	L	42	42	42	0	0	0	0	0
+S	S	43	43	43	0	0	0	0	0
+P	P	44	44	44	0	0	0	0	0
+I	I	45	45	45	0	0	0	0	0
+Q	Q	46	46	46	0	0	0	0	0
+D	D	47	47	47	0	0	0	0	0
+E	E	48	48	48	0	0	0	0	0
+Y	Y	49	49	49	0	0	0	0	0
+I	I	50	50	50	0	0	0	0	0
+E	E	51	51	51	0	0	0	0	0
+Y	Y	52	52	52	0	0	0	0	0
+Y	Y	53	53	53	0	0	0	0	0
+L	L	54	54	54	0	0	0	0	0
+K	K	55	55	55	0	0	0	0	0
+S	S	56	56	56	0	0	0	0	0
+K	K	57	57	57	0	0	0	0	0
+Q	Q	58	58	58	0	0	0	0	0
+L	L	59	59	59	0	0	0	0	0
+S	S	60	60	60	0	0	0	0	0
+I	I	61	61	61	0	0	0	0	0
+K	K	62	62	62	0	0	0	0	0
+A	A	63	63	63	0	0	0	0	0
+T	T	64	64	64	0	0	0	0	0
+L	L	65	65	65	0	0	0	0	0
+D	D	66	66	66	0	0	0	0	0
+S	S	67	67	67	0	0	0	0	0
+K	K	68	68	68	0	0	0	0	0
+A	A	69	69	69	0	0	0	0	0
+A	A	70	70	70	0	0	0	0	0
+Y	Y	71	71	71	0	0	0	0	0
+K	K	72	72	72	0	0	0	0	0
+E	E	73	73	73	0	0	0	0	0
+A	A	74	74	74	0	0	0	0	0
+E	E	75	75	75	0	0	0	0	0
+L	L	76	76	76	0	0	0	0	0
+V	V	77	77	77	0	0	0	0	0
+I	I	78	78	78	0	0	0	0	0
+I	I	79	79	79	0	0	0	0	0
+A	A	80	80	80	0	0	0	0	0
+T	T	81	81	81	0	0	0	0	0
+P	P	82	82	82	0	0	0	0	0
+T	T	83	83	83	0	0	0	0	0
+N	N	84	84	84	0	0	0	0	0
+Y	Y	85	85	85	0	0	0	0	0
+N	N	86	86	86	0	0	0	0	0
+S	S	87	87	87	0	0	0	0	0
+R	R	88	88	88	0	0	0	0	0
+I	I	89	89	89	0	0	0	0	0
+N	N	90	90	90	0	0	0	0	0
+Y	Y	91	91	91	0	0	0	0	0
+F	F	92	92	92	0	0	0	0	0
+D	D	93	93	93	0	0	0	0	0
+T	T	94	94	94	0	0	0	0	0
+Q	Q	95	95	95	0	0	0	0	0
+H	H	96	96	96	0	0	0	0	0
+V	V	97	97	97	0	0	0	0	0
+E	E	98	98	98	0	0	0	0	0
+T	T	99	99	99	0	0	0	0	0
+V	V	100	100	100	0	0	0	0	0
+I	I	101	101	101	0	0	0	0	0
+K	K	102	102	102	0	0	0	0	0
+E	E	103	103	103	0	0	0	0	0
+V	V	104	104	104	0	0	0	0	0
+L	L	105	105	105	0	0	0	0	0
+S	S	106	106	106	0	0	0	0	0
+V	V	107	107	107	0	0	0	0	0
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+S	S	109	109	109	0	0	0	0	0
+H	H	110	110	110	0	0	0	0	0
+A	A	111	111	111	0	0	0	0	0
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+L	L	113	113	113	0	0	0	0	0
+I	I	114	114	114	0	0	0	0	0
+I	I	115	115	115	0	0	0	0	0
+K	K	116	116	116	0	0	0	0	0
+S	S	117	117	117	0	0	0	0	0
+T	T	118	118	118	0	0	0	0	0
+I	I	119	119	119	0	0	0	0	0
+P	P	120	120	120	0	0	0	0	0
+I	I	121	121	121	0	0	0	0	0
+G	G	122	122	122	0	0	0	0	0
+F	F	123	123	123	0	0	0	0	0
+I	I	124	124	124	0	0	0	0	0
+T	T	125	125	125	0	0	0	0	0
+E	E	126	126	126	0	0	0	0	0
+M	M	127	127	127	0	0	0	0	0
+R	R	128	128	128	0	0	0	0	0
+Q	Q	129	129	129	0	0	0	0	0
+K	K	130	130	130	0	0	0	0	0
+F	F	131	131	131	0	0	0	0	0
+Q	Q	132	132	132	0	0	0	0	0
+T	T	133	133	133	0	0	0	0	0
+D	D	134	134	134	0	0	0	0	0
+R	R	135	135	135	0	0	0	0	0
+I	I	136	136	136	0	0	0	0	0
+I	I	137	137	137	0	0	0	0	0
+F	F	138	138	138	0	0	0	0	0
+S	S	139	139	139	0	0	0	0	0
+P	P	140	140	140	0	0	0	0	0
+E	E	141	141	141	0	0	0	0	0
+F	F	142	142	142	0	0	0	0	0
+L	L	143	143	143	0	0	0	0	0
+R	R	144	144	144	0	0	0	0	0
+E	E	145	145	145	0	0	0	0	0
+S	S	146	146	146	0	0	0	0	0
+K	K	147	147	147	0	0	0	0	0
+A	A	148	148	148	0	0	0	0	0
+L	L	149	149	149	0	0	0	0	0
+Y	Y	150	150	150	0	0	0	0	0
+D	D	151	151	151	0	0	0	0	0
+N	N	152	152	152	0	0	0	0	0
+L	L	153	153	153	0	0	0	0	0
+Y	Y	154	154	154	0	0	0	0	0
+P	P	155	155	155	0	0	0	0	0
+S	S	156	156	156	0	0	0	0	0
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+I	I	159	159	159	0	0	0	0	0
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+C	C	162	162	162	0	0	0	0	0
+E	E	163	163	163	0	0	0	0	0
+E	E	164	164	164	0	0	0	0	0
+N	N	165	165	165	0	0	0	0	0
+D	D	166	166	166	0	0	0	0	0
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+P	P	168	168	168	0	0	0	0	0
+K	K	169	169	169	0	0	0	0	0
+V	V	170	170	170	0	0	0	0	0
+K	K	171	171	171	0	0	0	0	0
+A	A	172	172	172	0	0	0	0	0
+D	D	173	173	173	0	0	0	0	0
+A	A	174	174	174	0	0	0	0	0
+E	E	175	175	175	0	0	0	0	0
+K	K	176	176	176	0	0	0	0	0
+F	F	177	177	177	0	0	0	0	0
+A	A	178	178	178	0	0	0	0	0
+L	L	179	179	179	0	0	0	0	0
+L	L	180	180	180	0	0	0	0	0
+L	L	181	181	181	0	0	0	0	0
+K	K	182	182	182	0	0	0	0	0
+S	S	183	183	183	0	0	0	0	0
+A	A	184	184	184	0	0	0	0	0
+A	A	185	185	185	0	0	0	0	0
+K	K	186	186	186	0	0	0	0	0
+K	K	187	187	187	0	0	0	0	0
+N	N	188	188	188	0	0	0	0	0
+N	N	189	189	189	0	0	0	0	0
+V	V	190	190	190	0	0	0	0	0
+P	P	191	191	191	0	0	0	0	0
+V	V	192	192	192	0	0	0	0	0
+L	L	193	193	193	0	0	0	0	0
+I	I	194	194	194	0	0	0	0	0
+M	M	195	195	195	0	0	0	0	0
+G	G	196	196	196	0	0	0	0	0
+A	A	197	197	197	0	0	0	0	0
+S	S	198	198	198	0	0	0	0	0
+E	E	199	199	199	0	0	0	0	0
+A	A	200	200	200	0	0	0	0	0
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+L	L	205	205	205	0	0	0	0	0
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atlas_1000_analysis/1dlj_A/1dlj_A_gyrate.tsv

@@ -0,0 +1,1001 @@
+time	gyr_R1	gyr_R2	gyr_R3
+0.1	23.53	23.52	23.46
+0.2	23.57	23.42	23.55
+0.3	23.62	23.57	23.51
+0.4	23.49	23.42	23.72
+0.5	23.78	23.46	23.72
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+0.7	23.67	23.99	23.72
+0.8	23.93	23.93	23.6
+0.9	23.88	24.09	23.64
+1.0	23.81	23.87	23.69
+1.1	23.87	23.8	23.67
+1.2	23.8	24.03	23.72
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+1.4	23.96	23.91	23.54
+1.5	23.94	23.99	23.59
+1.6	24.12	24.02	23.66
+1.7	24.26	24.03	23.66
+1.8	25.04	23.95	23.64
+1.9	24.89	23.87	23.6
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+2.1	25.01	23.94	23.77
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+2.7	24.31	23.94	23.62
+2.8	24.29	24.4	23.69
+2.9	24.39	24.29	23.86
+3.0	24.47	24.1	23.73
+3.1	24.26	23.99	23.72
+3.2	24.48	23.84	23.66
+3.3	24.3	23.88	23.49
+3.4	24.51	23.89	23.76
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+3.7	24.46	23.95	23.85
+3.8	24.47	23.85	23.8
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+4.0	24.54	24.02	23.96
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+4.3	24.5	23.97	24.08
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+4.9	24.72	24.04	24.25
+5.0	24.62	23.74	24.22
+5.1	24.37	23.56	24.64
+5.2	24.58	23.81	24.2
+5.3	24.38	23.49	24.13
+5.4	24.49	23.58	24.14
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+5.6	24.44	23.76	24.27
+5.7	24.32	23.81	24.24
+5.8	24.24	23.6	24.0
+5.9	24.48	23.66	24.1
+6.0	24.74	23.47	24.29
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+6.2	24.93	23.71	24.53
+6.3	24.61	23.49	24.35
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+6.6	24.66	23.75	24.16
+6.7	25.18	23.74	24.13
+6.8	25.04	23.82	24.29
+6.9	24.99	23.67	24.46
+7.0	24.7	23.77	24.54
+7.1	24.78	23.95	24.25
+7.2	25.05	23.92	24.66
+7.3	25.1	24.16	24.62
+7.4	24.85	24.09	24.52
+7.5	24.61	23.87	24.41
+7.6	25.1	24.03	24.35
+7.7	24.33	23.96	24.46
+7.8	24.04	23.92	24.57
+7.9	24.13	23.93	24.45
+8.0	24.17	23.91	24.7
+8.1	24.37	23.95	24.92
+8.2	24.47	24.0	24.52
+8.3	24.44	23.84	24.33
+8.4	24.49	23.76	24.3
+8.5	24.28	23.72	24.39
+8.6	24.31	23.66	24.34
+8.7	24.48	23.87	24.14
+8.8	24.55	23.59	24.0
+8.9	24.82	23.87	24.11
+9.0	24.72	23.73	24.18
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+9.3	24.55	23.98	24.27
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+9.6	24.52	24.08	23.85
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+9.8	24.75	24.41	24.26
+9.9	24.99	24.65	24.09
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+10.9	24.65	23.73	24.07
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+11.6	24.49	23.7	24.06
+11.7	24.61	23.85	23.97
+11.8	24.34	23.72	23.94
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+12.9	24.73	23.93	24.11
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+13.8	24.47	24.18	23.94
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+14.0	24.38	24.25	24.21
+14.1	24.19	24.56	24.11
+14.2	24.28	24.63	23.95
+14.3	24.2	24.36	24.26
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+14.6	24.18	24.21	24.01
+14.7	24.42	24.25	24.47
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+14.9	24.46	24.18	24.66
+15.0	24.86	24.34	24.49
+15.1	25.17	24.34	24.53
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+15.4	24.87	24.62	24.66
+15.5	24.86	24.23	24.25
+15.6	25.05	24.14	24.11
+15.7	25.07	24.23	24.56
+15.8	25.04	24.49	24.34
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+16.0	25.02	24.15	24.36
+16.1	24.8	24.45	24.07
+16.2	25.1	24.57	24.18
+16.3	25.07	24.23	23.92
+16.4	24.56	24.44	23.99
+16.5	24.99	24.53	23.97
+16.6	24.79	24.34	24.05
+16.7	25.48	24.38	24.33
+16.8	25.13	24.75	24.85
+16.9	25.47	24.26	24.78
+17.0	25.32	24.18	24.12
+17.1	24.92	23.95	23.95
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+17.5	25.27	23.8	24.11
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+22.8	23.97	24.37	24.43
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+24.6	24.0	24.35	24.88
+24.7	23.97	24.41	24.93
+24.8	24.01	24.38	24.99
+24.9	24.0	24.64	24.98
+25.0	24.16	24.5	25.17
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+26.7	24.11	24.48	24.74
+26.8	24.37	24.64	25.01
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atlas_1000_analysis/1dlj_A/1dlj_A_pLDDT.tsv

@@ -0,0 +1,403 @@
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+N	98.19
+K	98.29
+V	98.8
+Y	98.82
+S	98.82
+R	98.78
+D	98.77
+I	98.6
+F	98.23
+G	96.58
+R	95.84
+D	88.28

atlas_1000_analysis/1dlj_A/README.txt

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+These trajectories and corresponding analysis were downloaded from the ATLAS database (https://www.dsimb.inserm.fr/ATLAS).
+
+ATLAS gathers standardized molecular dynamics simulations of protein structures accompanied by their analysis in the form of interactive diagrams and trajectory visualization. All the raw trajectories as well as the results of analysis are available for download.
+
+
+ • ARCHIVE CONTENT •
+Protein structure and trajectory files:
+     - PDB_Name.pdb: Protein structure in PDB format used to launch the molecular dynamics (after energy minimisation and equilibrations).
+     - PDB_Name_corresp.tsv: Correspondence between the author residue number (PDB file / CIF file) and the new numbering (starting from 1).
+     - PDB_Name_R{1,2,3}.tpr: File containing the starting structure of the simulation, the molecular topology and all the simulation parameters.
+     - PDB_Name_R{1,2,3}.xtc: MD trajectory without solvent molecules. Each trajectory is of 100 ns with frames saved every 100 ps (1,000 frames in total).
+
+Results of MD simulation analysis:
+     - PDB_Name_Bfactor.tsv: Experimental B-factor values of the initial PDB structure (in Ų).
+     - PDB_Name_RMSF.tsv: RMSF values for the 3 MD replicates (in Å).
+     - PDB_Name_Neq.tsv: Local deformability index Neq for the 3 MD replicates.
+     - PDB_Name_RMSD.tsv: RMSD values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_gyr.tsv: Gyration radius values for the 3 MD replicates (in Å / ns).
+     - PDB_Name_contacts.tsv: Residue-level interactions co-crystallized with the protein of interest (chain, ligands, ions and nucleotides within 6 Å threshold of the α-carbon of the residue).
+     - PDB_Name_pLDDT.tsv: AlphaFold2 pLDDT. pLDDT is the per-residue prediction confidence metric, not a flexibility measurement.
+
+See the ATLAS about page (https://www.dsimb.inserm.fr/ATLAS/about.html) for details.
+
+ • MOLECULAR DYNAMICS PARAMETERS •
+Download the ATLAS GROMACS molecular dynamics parameters (.mdp) and force-field files (CHARMM36m) with https://www.dsimb.inserm.fr/ATLAS/data/download/ATLAS_parameters.zip or using the REST API with `curl -X 'GET' 'https://www.dsimb.inserm.fr/ATLAS/api/MD_parameters' -o MD_parameters.zip`
+
+
+ • LICENSE •
+The ATLAS database is released under a Creative Commons Attribution-NonCommercial 4.0 International license (CC-BY-NC). This license is one of the Creative Commons licenses and allows users to share and adapt the dataset if they give credit to the copyright holder and do not use the dataset for any commercial purposes. See https://creativecommons.org/licenses/by-nc/4.0/ for details.
+Please contact us for commercial use.
+
+
+ • CONTACTS •
+For scientific collaboration, please contact:
+      Tatiana GALOCHKINA, Associate Professor, Université Paris Cité
+      tatiana.galochkina (at) u-paris.fr
+  or
+      Jean-Christophe GELLY, Professor, Université Paris Cité
+      jean-christophe.gelly (at) u-paris.fr 
+

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