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+E	1.0	1.0	1.0
+F	1.0	1.0	1.0
+I	1.0	1.0	1.0
+M	1.0	1.0	1.0
+A	1.0	1.0	1.0
+E	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
+T	1.0	1.0	1.0
+E	1.0	1.0	1.0
+K	1.0	1.0	1.0
+A	1.0	1.0	1.0
+Y	1.0	1.0	1.0
+V	1.0	1.0	1.0
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+L	1.0	1.0	1.0
+R	1.0	1.0	1.0
+E	1.0	1.0	1.0
+C	1.0	1.0	1.0
+M	1.0	1.0	1.0
+D	1.0	1.0	1.0
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+W	1.0	1.0	1.0
+E	1.0	1.0	1.0
+M	1.207	1.178	1.015
+T	2.871	2.315	1.372
+S	3.674	3.421	1.352
+G	2.768	3.475	1.281
+V	2.13	1.715	1.971
+E	2.556	1.955	2.532
+E	1.0	1.0	1.0
+I	1.003	1.001	1.001
+P	1.0	1.0	1.0
+P	1.0	1.0	1.0
+G	1.0	1.004	1.0
+I	1.079	1.033	1.044
+V	1.001	1.01	1.0
+N	1.901	2.115	1.972
+K	1.0	1.006	1.0
+E	1.068	1.063	1.068
+L	1.0	1.007	1.005
+I	1.0	1.0	1.0
+I	1.704	1.0	1.688
+F	1.235	1.748	1.797
+G	1.128	1.137	1.595
+N	1.001	1.001	1.006
+M	1.536	2.012	2.56
+Q	1.056	1.022	1.517
+E	1.0	1.0	1.0
+I	1.0	1.0	1.0
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+L	1.0	1.0	1.0
+E	1.0	1.0	1.0
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+E	1.004	1.041	1.0
+Q	1.514	1.456	1.222
+L	1.031	1.141	1.038
+P	1.891	2.019	1.999
+E	1.016	1.059	1.048
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+D	1.002	1.001	1.003
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+H	1.439	1.093	1.002
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+G	2.032	2.05	2.064
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+Y	1.968	2.002	1.998
+F	1.001	1.001	1.0
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+E	1.0	1.0	1.0
+I	1.0	1.0	1.0
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+G	1.0	1.0	1.0
+L	1.0	1.002	1.001
+A	1.001	1.0	1.001
+N	1.784	1.799	1.772
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+I	1.0	1.0	1.0
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+I	1.0	1.0	1.0
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+Q	1.0	1.0	1.0
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+I	1.0	1.0	1.0
+T	1.0	1.0	1.0
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+K	1.0	1.0	1.0
+E	1.0	1.0	1.0
+L	1.0	1.0	1.0
+L	1.0	1.0	1.0
+T	1.001	1.0	1.0
+C	1.572	1.717	1.59
+C	1.478	1.372	1.438
+E	1.776	2.574	2.151
+E	1.074	1.308	1.013
+G	1.07	1.363	1.008
+K	1.008	1.383	1.0
+G	1.003	1.001	1.0
+E	1.747	1.913	1.26
+I	1.119	1.147	1.019
+K	1.039	1.025	1.007
+D	1.0	1.0	1.0
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+L	1.0	1.0	1.0
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+V	1.0	1.0	1.0
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+D	1.0	1.0	1.0
+A	1.0	1.0	1.0
+M	1.0	1.0	1.0
+H	1.0	1.0	1.0
+L	1.0	1.0	1.005
+S	1.0	1.0	1.005
+M	2.977	2.731	2.396
+L	1.0	1.0	1.0
+E	1.003	1.002	1.014
+G	1.0	1.0	1.0
+F	1.675	1.734	1.488
+D	1.24	1.052	1.031
+E	1.932	2.049	1.701
+N	1.276	1.029	1.029
+I	1.009	1.001	1.002
+E	1.0	1.0	1.0
+S	1.0	1.001	1.0
+Q	1.079	1.066	1.074
+G	1.065	1.054	1.098
+E	1.153	1.265	1.101
+L	1.0	1.0	1.0
+I	1.0	1.0	1.0
+L	1.305	1.558	1.61
+Q	1.002	1.0	1.003
+E	1.001	1.004	1.0
+S	1.0	1.009	1.0
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+Q	1.003	1.005	1.0
+V	1.001	1.0	1.0
+W	1.0	1.0	1.001
+D	1.025	1.002	1.003
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+L	1.681	1.171	1.117
+I	4.167	1.823	1.579
+R	1.906	1.551	1.411
+K	1.62	1.56	1.542
+G	1.928	1.196	1.065
+R	1.0	1.003	1.004
+E	1.019	1.008	1.001
+R	1.0	1.0	1.0
+H	1.0	1.001	1.001
+L	1.0	1.0	1.0
+F	1.0	1.0	1.0
+L	1.0	1.0	1.0
+F	1.0	1.0	1.0
+E	1.0	1.001	1.0
+M	1.122	1.214	1.258
+S	1.0	1.0	1.0
+L	1.0	1.0	1.0
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+E	1.0	1.0	1.0
+V	1.994	1.004	2.007
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+S	4.541	1.941	3.92
+S	5.133	2.796	5.782
+G	4.193	1.7	3.367
+R	2.517	1.0	2.489
+S	1.999	1.217	1.545
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+Y	1.005	1.004	1.009
+L	1.0	1.0	1.0
+Y	1.419	1.204	1.12
+K	1.077	1.027	1.027
+S	1.406	1.189	1.109
+K	1.413	1.197	1.125
+L	1.0	1.0	1.0
+F	1.0	1.0	1.0
+T	1.0	1.0	1.0
+S	1.001	1.002	1.0
+E	3.662	3.88	3.394
+L	1.019	1.021	1.014
+G	1.125	1.159	1.07
+V	1.0	1.0	1.0
+T	1.0	1.0	1.0
+E	1.036	1.029	1.051
+H	3.106	2.378	2.622
+V	2.651	1.734	2.338
+E	1.873	1.292	2.218
+G	2.633	2.144	2.872
+D	2.615	2.418	3.0
+P	1.323	1.256	1.384
+C	1.473	1.217	1.308
+K	1.0	1.003	1.001
+F	1.001	1.002	1.001
+A	1.0	1.0	1.0
+L	1.0	1.0	1.0
+W	1.343	1.841	1.391
+V	1.428	1.947	2.513
+G	1.485	1.917	1.954
+R	1.167	1.289	2.447
+T	1.702	2.26	4.093
+P	1.191	1.445	3.467
+T	1.013	1.11	2.818
+S	3.06	2.067	2.08
+D	3.265	2.3	2.634
+N	4.069	2.337	3.983
+K	2.992	2.0	1.094
+I	1.919	1.979	1.538
+V	1.0	1.0	1.0
+L	1.0	1.0	1.0
+K	1.0	1.0	1.0
+A	1.004	1.005	1.016
+S	1.0	1.0	1.012
+S	1.669	1.681	1.645
+I	1.231	1.208	1.197
+E	1.0	1.0	1.0
+N	1.0	1.0	1.0
+K	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+D	1.0	1.0	1.0
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+I	1.0	1.0	1.0
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+H	1.0	1.0	1.0
+I	1.0	1.0	1.0
+R	1.0	1.0	1.0
+E	1.0	1.0	1.0
+V	1.0	1.0	1.0
+I	1.0	1.0	1.0
+Q	1.0	1.0	1.0
+E	1.026	1.002	1.004
+R	1.0	1.0	1.0
+T	1.0	1.0	1.0

atlas_1000_analysis/1nty_A/1nty_A_RMSD.tsv

@@ -0,0 +1,1002 @@
+time	RMSD_R1	RMSD_R2	RMSD_R3
+0.0	0.0	0.0	0.0
+0.1	2.15	1.2	1.46
+0.2	3.13	1.17	1.54
+0.3	3.7	1.85	1.22
+0.4	4.04	1.95	1.39
+0.5	3.57	1.92	1.72
+0.6	2.91	1.73	1.81
+0.7	3.91	2.91	1.86
+0.8	3.78	2.94	1.55
+0.9	3.99	3.16	1.41
+1.0	3.81	2.84	1.29
+1.1	3.75	2.94	1.51
+1.2	3.46	3.46	1.54
+1.3	2.28	2.08	1.41
+1.4	2.11	2.44	1.32
+1.5	2.61	1.79	1.58
+1.6	2.41	2.3	2.11
+1.7	1.79	2.32	2.73
+1.8	2.29	2.14	2.69
+1.9	2.05	2.07	1.88
+2.0	1.84	2.72	1.99
+2.1	1.8	2.35	2.31
+2.2	2.47	1.64	2.27
+2.3	1.78	2.08	2.55
+2.4	1.76	2.09	2.02
+2.5	1.67	2.72	1.93
+2.6	1.88	2.95	1.85
+2.7	2.0	2.56	2.45
+2.8	1.8	3.44	1.82
+2.9	1.96	3.32	1.98
+3.0	2.05	3.75	2.23
+3.1	1.91	4.19	2.52
+3.2	2.64	3.78	2.86
+3.3	2.67	3.14	2.7
+3.4	2.34	3.9	2.91
+3.5	2.01	3.32	2.62
+3.6	2.43	3.6	2.77
+3.7	2.74	3.39	2.53
+3.8	2.27	3.13	2.64
+3.9	1.96	3.72	2.81
+4.0	2.39	2.94	2.91
+4.1	3.14	2.54	2.71
+4.2	3.96	2.79	2.08
+4.3	4.55	2.76	2.18
+4.4	3.83	1.97	2.29
+4.5	4.41	2.22	2.74
+4.6	5.06	2.37	3.17
+4.7	3.28	2.78	2.71
+4.8	2.95	2.56	2.69
+4.9	3.4	2.37	2.93
+5.0	4.45	2.72	2.13
+5.1	4.37	2.48	2.27
+5.2	4.49	2.59	2.1
+5.3	4.59	2.67	2.75
+5.4	4.47	2.13	2.02
+5.5	4.62	2.49	2.07
+5.6	4.28	1.98	2.29
+5.7	4.11	1.73	1.87
+5.8	4.16	1.82	1.62
+5.9	4.5	2.0	1.9
+6.0	4.79	2.31	2.19
+6.1	4.41	1.98	1.79
+6.2	4.4	1.91	2.48
+6.3	4.1	2.02	2.42
+6.4	3.88	1.9	2.23
+6.5	4.1	2.42	2.32
+6.6	3.45	2.65	2.89
+6.7	3.36	2.04	2.39
+6.8	3.93	1.74	2.08
+6.9	4.1	2.59	2.91
+7.0	4.22	2.53	3.08
+7.1	4.03	2.45	3.44
+7.2	3.93	2.11	3.61
+7.3	3.9	2.14	3.01
+7.4	3.58	1.9	2.58
+7.5	3.72	2.1	2.21
+7.6	3.42	2.14	1.62
+7.7	4.0	3.24	2.11
+7.8	4.31	2.65	2.94
+7.9	3.77	3.36	2.42
+8.0	3.8	3.61	2.32
+8.1	3.84	3.91	2.82
+8.2	3.39	3.42	2.74
+8.3	3.57	3.76	2.52
+8.4	3.86	3.25	2.25
+8.5	4.39	3.78	1.84
+8.6	4.19	3.78	2.01
+8.7	4.2	2.62	2.75
+8.8	4.09	3.23	2.9
+8.9	4.11	3.35	2.27
+9.0	4.59	3.68	2.05
+9.1	4.17	3.46	2.34
+9.2	4.48	3.55	2.51
+9.3	4.11	3.71	2.19
+9.4	3.85	3.74	2.67
+9.5	3.72	3.94	3.37
+9.6	3.74	3.91	3.16
+9.7	3.58	2.9	3.63
+9.8	3.35	2.4	3.34
+9.9	3.8	3.25	3.21
+10.0	3.84	2.46	3.09
+10.1	3.51	2.56	3.63
+10.2	3.97	3.38	4.06
+10.3	4.06	2.95	3.63
+10.4	4.13	2.74	3.77
+10.5	4.09	2.34	3.45
+10.6	4.23	2.67	4.36
+10.7	4.26	2.31	4.44
+10.8	4.82	3.19	4.59
+10.9	4.46	2.82	3.32
+11.0	3.9	1.9	3.22
+11.1	3.97	2.45	3.13
+11.2	4.14	2.5	2.66
+11.3	4.6	2.85	2.37
+11.4	4.16	2.86	2.18
+11.5	3.5	3.11	2.37
+11.6	3.87	3.09	1.91
+11.7	3.89	3.61	1.75
+11.8	4.09	4.31	2.64
+11.9	4.55	3.87	3.2
+12.0	4.62	3.67	3.49
+12.1	3.68	4.02	2.9
+12.2	2.72	3.76	2.71
+12.3	3.62	3.43	3.09
+12.4	4.12	3.99	3.14
+12.5	4.27	3.41	2.74
+12.6	3.86	4.06	2.82
+12.7	3.82	4.18	2.82
+12.8	3.76	3.85	2.33
+12.9	3.28	3.97	3.03
+13.0	3.25	3.86	3.31
+13.1	2.93	4.19	4.5
+13.2	3.32	4.24	3.87
+13.3	3.09	2.71	2.92
+13.4	3.25	3.22	3.59
+13.5	3.11	2.96	3.17
+13.6	3.08	2.76	2.82
+13.7	3.3	3.28	2.83
+13.8	3.04	2.78	3.77
+13.9	3.15	3.25	3.54
+14.0	3.3	3.96	3.72
+14.1	3.03	3.38	3.6
+14.2	2.88	2.49	3.29
+14.3	2.83	3.8	2.04
+14.4	4.06	3.32	2.22
+14.5	3.77	3.56	2.43
+14.6	3.58	2.29	2.96
+14.7	3.71	2.7	2.38
+14.8	3.69	2.82	2.59
+14.9	4.4	3.49	2.07
+15.0	4.13	2.26	2.39
+15.1	4.52	2.39	3.68
+15.2	5.03	2.01	3.67
+15.3	4.91	1.88	3.25
+15.4	5.67	1.59	3.62
+15.5	4.1	1.5	3.94
+15.6	4.14	2.48	3.47
+15.7	3.37	1.74	3.45
+15.8	2.85	1.68	3.88
+15.9	3.41	1.88	4.49
+16.0	2.9	1.93	4.16
+16.1	2.77	2.08	3.6
+16.2	3.4	1.9	2.29
+16.3	3.26	2.24	2.66
+16.4	3.41	3.17	2.62
+16.5	3.13	3.28	2.75
+16.6	3.35	2.51	3.16
+16.7	2.25	1.46	3.51
+16.8	2.33	1.83	2.4
+16.9	2.2	1.99	2.14
+17.0	3.01	1.83	1.6
+17.1	3.18	1.39	2.08
+17.2	2.91	1.81	2.65
+17.3	2.46	1.82	2.42
+17.4	2.79	1.56	1.89
+17.5	3.21	1.42	1.73
+17.6	3.02	1.65	2.24
+17.7	2.84	1.6	1.91
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+63.3	2.52	4.43	5.35
+63.4	2.77	4.18	5.07
+63.5	2.17	3.71	5.94
+63.6	2.31	3.7	6.63
+63.7	2.61	2.96	5.4
+63.8	2.76	3.16	5.41
+63.9	2.57	3.34	5.92
+64.0	2.02	3.69	5.88
+64.1	1.89	3.11	5.48
+64.2	2.5	3.2	5.18
+64.3	2.85	3.61	5.76
+64.4	2.8	4.01	5.82
+64.5	2.76	2.92	5.22
+64.6	2.78	2.96	5.91
+64.7	2.72	3.08	6.15
+64.8	2.85	3.04	5.74
+64.9	3.15	3.42	5.53
+65.0	2.94	3.98	5.41
+65.1	2.0	4.02	5.6
+65.2	2.11	3.43	6.18
+65.3	2.63	3.5	5.89
+65.4	2.94	3.96	5.98
+65.5	2.63	4.2	5.96
+65.6	2.77	5.32	5.22
+65.7	2.8	4.35	5.07
+65.8	3.26	3.87	5.44
+65.9	4.08	4.09	5.2
+66.0	3.11	3.51	5.4
+66.1	2.97	3.75	5.31
+66.2	3.49	4.28	5.22
+66.3	3.95	3.72	5.03
+66.4	3.17	3.87	5.7
+66.5	3.11	4.0	5.39
+66.6	3.79	4.09	6.56
+66.7	4.12	4.54	6.27
+66.8	4.18	3.78	6.2
+66.9	4.58	4.11	6.05
+67.0	3.99	3.93	6.56
+67.1	3.58	3.72	7.2
+67.2	2.8	3.68	7.13
+67.3	3.25	3.89	6.84
+67.4	2.96	3.8	7.08
+67.5	2.63	4.2	7.01
+67.6	3.34	3.8	7.39
+67.7	3.13	4.06	7.35
+67.8	3.01	4.19	6.99
+67.9	2.62	4.12	6.82
+68.0	2.38	3.45	6.97
+68.1	2.88	3.52	6.83
+68.2	2.52	3.72	7.31
+68.3	3.14	3.22	7.31
+68.4	3.44	3.61	6.79
+68.5	2.59	3.39	6.91
+68.6	3.25	3.56	6.65
+68.7	2.92	3.93	6.46
+68.8	3.32	4.2	6.11
+68.9	3.73	4.18	6.6
+69.0	4.12	4.03	6.73
+69.1	3.62	3.78	6.48
+69.2	3.12	4.74	6.84
+69.3	2.88	3.78	6.99
+69.4	4.38	4.25	5.76
+69.5	3.91	4.33	6.76
+69.6	4.13	4.28	6.05
+69.7	4.12	4.6	6.04
+69.8	3.07	4.69	5.97
+69.9	3.58	4.53	5.31
+70.0	3.0	4.06	5.66
+70.1	2.74	4.85	5.4
+70.2	3.14	4.3	5.71
+70.3	3.08	3.62	5.67
+70.4	3.27	4.5	5.4
+70.5	3.13	4.73	4.7
+70.6	3.46	4.46	4.17
+70.7	3.61	4.9	4.7
+70.8	3.79	4.33	4.35
+70.9	3.87	4.48	4.36
+71.0	3.19	4.09	4.62
+71.1	3.34	3.6	4.66
+71.2	3.49	2.99	5.43
+71.3	4.3	3.7	5.61
+71.4	2.95	4.55	5.55
+71.5	3.41	3.99	4.87
+71.6	2.97	4.0	5.41
+71.7	2.88	4.27	6.06
+71.8	2.99	3.81	6.1
+71.9	3.34	3.94	6.5
+72.0	3.65	3.9	5.68
+72.1	3.73	4.33	5.29
+72.2	3.26	4.71	5.67
+72.3	3.34	3.59	5.81
+72.4	3.01	3.88	5.36
+72.5	3.44	4.21	5.36
+72.6	3.09	3.8	5.19
+72.7	2.56	4.26	5.22
+72.8	2.29	4.13	5.97
+72.9	2.48	4.14	5.8
+73.0	2.21	3.94	5.89
+73.1	2.64	4.31	6.52
+73.2	2.9	3.85	5.83
+73.3	2.97	4.01	5.79
+73.4	2.88	4.1	5.95
+73.5	3.36	4.25	6.07
+73.6	3.37	4.28	5.93
+73.7	2.6	4.26	6.19
+73.8	2.65	4.41	6.32
+73.9	3.18	3.9	6.88
+74.0	2.9	4.05	6.22
+74.1	3.26	4.0	6.66
+74.2	2.98	3.94	6.86
+74.3	2.92	4.02	6.45
+74.4	3.71	3.29	6.59
+74.5	3.58	4.18	6.5
+74.6	3.64	3.45	6.61
+74.7	3.59	3.65	6.43
+74.8	3.77	4.14	6.96
+74.9	4.02	4.01	6.8
+75.0	3.57	3.93	6.95
+75.1	3.38	4.59	7.22
+75.2	3.38	4.55	6.94
+75.3	3.81	3.88	7.48
+75.4	3.33	4.05	6.86
+75.5	3.73	4.41	7.58
+75.6	4.05	3.91	7.38
+75.7	3.87	4.34	7.47
+75.8	3.64	4.28	6.87
+75.9	3.53	4.27	6.76
+76.0	3.7	4.37	6.68
+76.1	3.09	4.74	6.46
+76.2	3.08	4.54	6.63
+76.3	3.1	4.27	6.28
+76.4	2.53	4.5	6.69
+76.5	3.98	4.18	6.54
+76.6	2.99	4.18	6.7
+76.7	3.05	3.8	6.46
+76.8	2.74	3.94	6.21
+76.9	2.26	4.83	6.48
+77.0	2.87	4.61	6.69
+77.1	2.21	4.95	6.86
+77.2	1.92	4.97	6.58
+77.3	2.27	4.73	6.43
+77.4	2.37	4.37	6.38
+77.5	2.22	4.83	6.35
+77.6	2.62	4.93	7.02
+77.7	2.86	4.74	7.16
+77.8	2.61	5.06	6.63
+77.9	2.5	6.34	6.98
+78.0	2.79	5.53	7.12
+78.1	2.81	4.81	6.73
+78.2	3.35	4.49	6.54
+78.3	2.68	4.76	6.94
+78.4	1.96	3.85	6.62
+78.5	1.94	4.45	6.19
+78.6	2.12	4.12	6.42
+78.7	2.63	4.19	6.02
+78.8	2.15	4.44	6.83
+78.9	2.42	5.27	6.67
+79.0	2.35	5.5	6.68
+79.1	2.19	5.39	6.33
+79.2	2.51	5.48	6.16
+79.3	2.98	6.1	6.0
+79.4	3.12	6.42	6.16
+79.5	2.36	6.48	6.13
+79.6	2.81	6.78	6.68
+79.7	2.92	6.69	6.12
+79.8	2.54	5.53	5.79
+79.9	3.01	5.81	5.75
+80.0	3.38	5.32	5.85
+80.1	2.68	4.78	6.11
+80.2	3.24	4.92	5.87
+80.3	2.77	4.31	6.3
+80.4	2.32	4.0	6.57
+80.5	2.34	4.42	5.8
+80.6	2.28	4.44	6.17
+80.7	1.87	4.19	5.98
+80.8	2.54	4.56	6.16
+80.9	3.29	4.69	5.91
+81.0	3.85	4.43	6.09
+81.1	3.11	4.8	5.61
+81.2	3.68	5.24	5.27
+81.3	4.14	4.96	5.68
+81.4	3.13	5.16	6.11
+81.5	3.51	4.75	6.15
+81.6	2.61	4.85	6.14
+81.7	2.11	4.32	5.85
+81.8	2.03	4.49	6.3
+81.9	1.94	4.33	6.6
+82.0	2.47	3.16	6.48
+82.1	3.16	3.52	6.81
+82.2	3.2	4.05	6.54
+82.3	3.54	3.95	6.24
+82.4	2.94	3.37	5.9
+82.5	2.86	3.9	5.0
+82.6	2.66	4.82	5.15
+82.7	2.58	4.23	5.26
+82.8	2.34	4.34	5.76
+82.9	2.45	4.44	5.29
+83.0	3.04	4.0	5.43
+83.1	3.42	3.93	5.5
+83.2	3.08	4.4	5.46
+83.3	2.55	3.18	5.62
+83.4	2.79	3.66	5.55
+83.5	3.0	3.93	5.73
+83.6	3.14	3.68	5.57
+83.7	2.71	3.42	6.53
+83.8	2.76	3.6	6.18
+83.9	3.34	4.14	5.57
+84.0	3.36	3.5	5.97
+84.1	2.77	3.89	5.62
+84.2	2.29	3.34	5.2
+84.3	2.69	3.31	4.72
+84.4	2.66	3.43	4.01
+84.5	3.33	3.39	4.35
+84.6	3.0	3.95	4.7
+84.7	3.45	3.92	4.62
+84.8	3.22	3.55	5.1
+84.9	2.85	3.43	4.89
+85.0	2.18	3.42	4.34
+85.1	2.64	3.28	4.15
+85.2	3.0	3.23	4.38
+85.3	3.71	3.46	4.82
+85.4	3.98	3.13	4.54
+85.5	3.54	3.76	5.04
+85.6	2.82	3.2	4.77
+85.7	2.5	3.93	4.58
+85.8	3.52	4.06	4.41
+85.9	3.18	4.03	4.31
+86.0	3.54	3.93	4.68
+86.1	3.06	4.47	5.02
+86.2	2.89	4.25	5.16
+86.3	2.4	4.26	4.98
+86.4	2.62	4.32	5.04
+86.5	2.6	4.15	4.97
+86.6	2.83	3.91	5.46
+86.7	2.67	5.02	5.45
+86.8	2.82	5.37	5.09
+86.9	3.19	5.2	5.04
+87.0	3.43	4.61	5.34
+87.1	3.95	5.24	5.29
+87.2	3.58	5.0	5.49
+87.3	3.54	4.95	5.44
+87.4	3.32	5.64	5.13
+87.5	2.57	5.57	4.76
+87.6	3.14	5.39	4.62
+87.7	3.65	5.17	4.56
+87.8	4.0	5.1	4.71
+87.9	3.75	5.25	4.66
+88.0	3.93	5.4	4.87
+88.1	4.32	5.46	5.16
+88.2	4.36	5.56	4.84
+88.3	3.48	5.95	4.65
+88.4	3.96	5.94	5.14
+88.5	3.62	5.23	4.93
+88.6	3.82	5.41	5.0
+88.7	3.78	4.67	6.29
+88.8	3.37	5.25	5.67
+88.9	2.36	4.77	5.12
+89.0	2.76	4.52	5.38
+89.1	2.49	4.58	5.02
+89.2	2.48	4.85	6.02
+89.3	2.52	4.72	6.0
+89.4	2.73	4.12	6.0
+89.5	3.13	4.62	6.8
+89.6	2.77	4.53	6.85
+89.7	2.36	4.04	6.38
+89.8	2.28	4.3	6.7
+89.9	2.46	4.48	6.49
+90.0	2.97	4.46	6.77
+90.1	2.74	4.37	6.36
+90.2	2.84	4.57	7.06
+90.3	3.37	4.79	6.77
+90.4	3.02	4.72	7.37
+90.5	3.32	4.75	6.68
+90.6	3.82	4.57	6.28
+90.7	2.86	4.16	6.95
+90.8	3.11	4.4	6.59
+90.9	2.94	4.54	7.23
+91.0	3.32	4.62	7.49
+91.1	2.86	4.31	6.76
+91.2	3.36	4.27	6.43
+91.3	2.35	4.55	6.65
+91.4	2.45	3.97	6.5
+91.5	2.08	4.24	7.01
+91.6	3.02	5.18	6.31
+91.7	3.26	5.31	6.65
+91.8	1.91	4.87	6.56
+91.9	2.8	4.5	6.55
+92.0	3.42	4.53	6.55
+92.1	3.02	5.0	6.45
+92.2	3.74	5.02	5.33
+92.3	2.67	4.94	5.6
+92.4	2.19	4.26	5.17
+92.5	2.19	4.9	5.74
+92.6	2.36	4.68	5.88
+92.7	2.09	4.16	5.65
+92.8	2.35	4.09	6.01
+92.9	2.28	4.09	6.41
+93.0	2.38	4.69	5.39
+93.1	2.72	4.85	4.49
+93.2	3.03	5.07	5.28
+93.3	3.21	5.38	4.58
+93.4	3.06	5.21	4.39
+93.5	3.02	4.72	5.03
+93.6	2.9	5.28	5.21
+93.7	2.64	4.96	5.18
+93.8	3.37	5.0	5.52
+93.9	2.7	5.43	5.31
+94.0	2.41	6.33	4.55
+94.1	2.09	6.42	4.93
+94.2	2.8	6.24	4.88
+94.3	3.27	6.12	5.55
+94.4	2.91	5.92	5.62
+94.5	3.73	5.14	5.45
+94.6	3.05	4.87	4.98
+94.7	3.42	5.96	4.74
+94.8	3.2	5.47	4.74
+94.9	2.83	4.58	4.89
+95.0	3.32	4.27	5.25
+95.1	2.75	4.68	5.21
+95.2	3.41	4.64	5.33
+95.3	3.18	5.17	5.47
+95.4	2.79	4.61	5.85
+95.5	3.14	4.45	5.35
+95.6	2.85	4.59	5.42
+95.7	2.69	4.35	4.95
+95.8	2.44	4.28	5.58
+95.9	2.4	3.59	5.27
+96.0	2.98	3.88	4.48
+96.1	2.7	4.47	4.63
+96.2	2.95	4.17	4.14
+96.3	2.69	3.94	4.65
+96.4	2.47	4.51	4.39
+96.5	2.32	3.89	4.84
+96.6	2.08	4.26	4.92
+96.7	3.33	4.69	5.4
+96.8	3.52	5.39	4.9
+96.9	2.81	4.62	5.62
+97.0	2.79	4.84	5.06
+97.1	2.77	4.65	5.92
+97.2	2.97	4.45	5.86
+97.3	2.39	4.27	5.43
+97.4	2.65	3.61	5.34
+97.5	2.45	3.52	5.46
+97.6	2.56	3.57	5.7
+97.7	2.33	4.13	5.48
+97.8	2.36	3.94	5.3
+97.9	1.88	3.54	5.56
+98.0	2.31	3.53	5.47
+98.1	2.68	3.75	5.26
+98.2	2.58	3.57	4.26
+98.3	2.34	4.09	4.75
+98.4	2.52	3.73	4.95
+98.5	2.84	4.06	5.1
+98.6	2.45	3.99	5.43
+98.7	2.33	3.78	5.34
+98.8	2.87	4.05	5.34
+98.9	2.67	4.37	5.05
+99.0	2.29	3.83	5.57
+99.1	2.56	3.62	6.53
+99.2	2.57	3.3	6.96
+99.3	1.99	3.85	7.7
+99.4	1.99	3.89	6.66
+99.5	2.23	3.67	6.25
+99.6	1.95	3.83	5.93
+99.7	2.68	3.42	5.74
+99.8	2.42	4.14	5.71
+99.9	2.25	4.56	5.16
+100.0	2.53	4.76	5.3

atlas_1000_analysis/1nty_A/1nty_A_RMSF.tsv

@@ -0,0 +1,312 @@
+seq	RMSF_R1	RMSF_R2	RMSF_R3
+E	5.81	8.78	6.86
+E	3.94	6.83	5.8
+K	3.37	5.42	4.44
+R	2.96	3.3	4.14
+K	2.81	3.19	3.85
+S	2.36	2.68	3.6
+A	2.2	2.43	3.48
+R	2.24	2.51	3.35
+R	1.98	2.29	3.12
+K	1.64	1.91	2.87
+E	1.72	1.97	2.78
+F	1.71	2.0	2.73
+I	1.38	1.65	2.44
+M	1.28	1.51	2.17
+A	1.4	1.68	2.25
+E	1.24	1.5	2.04
+L	0.98	1.2	1.76
+I	1.11	1.33	1.77
+Q	1.26	1.48	1.76
+T	1.02	1.18	1.44
+E	0.87	1.02	1.3
+K	1.18	1.4	1.5
+A	1.17	1.36	1.36
+Y	0.86	0.97	1.03
+V	1.03	1.16	1.15
+R	1.29	1.43	1.35
+D	1.11	1.17	1.06
+L	0.98	1.0	0.94
+R	1.36	1.42	1.33
+E	1.47	1.49	1.43
+C	1.22	1.17	1.17
+M	1.42	1.36	1.35
+D	1.78	1.72	1.74
+T	1.73	1.63	1.72
+Y	1.49	1.34	1.5
+L	1.51	1.34	1.47
+W	1.9	1.74	1.88
+E	1.99	1.76	2.03
+M	1.87	1.6	1.93
+T	2.11	1.86	2.12
+S	2.46	2.23	2.52
+G	3.01	2.5	2.78
+V	2.93	2.62	2.96
+E	2.62	2.37	2.86
+E	2.65	2.31	2.85
+I	2.19	1.8	2.43
+P	2.07	1.71	2.48
+P	2.08	1.81	2.62
+G	1.96	1.76	2.45
+I	1.76	1.51	2.04
+V	2.09	1.9	2.31
+N	2.29	2.09	2.34
+K	1.89	1.61	1.99
+E	1.86	1.59	1.78
+L	2.0	1.63	1.81
+I	1.87	1.41	1.78
+I	1.42	1.04	1.44
+F	1.4	1.0	1.25
+G	1.96	1.31	1.9
+N	1.37	1.38	1.58
+M	1.12	1.05	1.34
+Q	1.38	1.38	1.53
+E	1.5	1.55	1.39
+I	1.12	1.17	1.02
+Y	1.15	1.22	1.16
+E	1.52	1.62	1.54
+F	1.4	1.51	1.37
+H	1.12	1.22	1.22
+N	1.41	1.53	1.58
+N	1.75	1.88	1.89
+I	1.62	1.74	1.77
+F	1.28	1.37	1.56
+L	1.26	1.37	1.64
+K	1.62	1.72	2.04
+E	1.56	1.63	2.05
+L	1.38	1.47	1.93
+E	1.64	1.79	2.25
+K	1.84	1.92	2.54
+Y	1.66	1.74	2.46
+E	1.66	1.82	2.59
+Q	1.91	2.07	2.99
+L	1.79	1.94	2.85
+P	1.73	1.85	2.59
+E	1.98	2.01	2.86
+D	1.88	1.88	2.69
+V	1.45	1.54	2.43
+G	1.57	1.62	2.46
+H	1.75	1.82	2.51
+C	1.53	1.59	2.14
+F	1.45	1.47	1.94
+V	1.8	1.84	2.31
+T	1.86	1.95	2.25
+W	1.66	1.75	1.86
+A	1.77	1.85	1.97
+D	1.98	2.1	1.96
+K	1.66	1.76	1.57
+F	1.45	1.5	1.46
+Q	1.76	1.8	1.68
+M	1.46	1.52	1.36
+Y	1.22	1.26	1.32
+V	1.54	1.62	1.78
+T	1.52	1.64	1.78
+Y	1.15	1.22	1.4
+C	1.32	1.41	1.56
+K	1.64	1.83	1.98
+N	1.42	1.54	1.85
+K	1.27	1.37	1.66
+P	1.6	1.77	2.04
+D	1.56	1.75	2.06
+S	1.27	1.3	1.76
+T	1.44	1.44	1.86
+Q	1.67	1.74	2.2
+L	1.51	1.52	2.08
+I	1.58	1.43	1.9
+L	1.93	1.8	2.25
+E	2.04	1.92	2.55
+H	1.94	1.68	2.38
+A	1.87	1.64	2.18
+G	2.39	1.93	2.57
+S	2.2	1.95	2.53
+Y	1.89	1.68	2.26
+F	1.69	1.52	1.89
+D	2.07	1.88	2.21
+E	2.32	2.09	2.51
+I	2.08	1.88	2.19
+Q	2.14	1.94	2.11
+Q	2.71	2.44	2.67
+R	2.85	2.54	2.84
+H	2.68	2.49	2.65
+G	2.74	2.6	2.7
+L	2.22	2.12	2.15
+A	2.31	2.18	2.15
+N	1.84	1.76	1.72
+S	1.62	1.54	1.58
+I	1.25	1.17	1.31
+S	1.29	1.18	1.34
+S	1.29	1.23	1.24
+Y	0.96	0.95	0.95
+L	0.91	0.85	0.99
+I	1.04	1.0	1.13
+K	0.83	0.83	0.88
+P	0.73	0.71	0.91
+V	1.02	1.02	1.3
+Q	1.07	1.08	1.34
+R	0.8	0.82	1.16
+I	1.05	1.08	1.47
+T	1.3	1.37	1.77
+K	1.06	1.18	1.63
+Y	0.97	1.09	1.69
+Q	1.34	1.48	2.1
+L	1.43	1.63	2.22
+L	1.24	1.43	2.17
+L	1.35	1.52	2.43
+K	1.7	1.88	2.8
+E	1.69	1.92	2.87
+L	1.55	1.78	2.9
+L	1.82	2.04	3.19
+T	2.08	2.34	3.51
+C	1.94	2.25	3.55
+C	1.96	2.22	3.6
+E	2.31	2.63	4.13
+E	2.59	2.88	4.39
+G	2.79	2.84	4.48
+K	2.42	2.45	4.08
+G	2.14	2.23	3.73
+E	1.96	2.1	3.45
+I	1.69	1.82	2.94
+K	1.94	2.09	3.17
+D	1.99	2.12	3.1
+G	1.61	1.71	2.56
+L	1.63	1.74	2.58
+E	1.95	2.07	2.85
+V	1.76	1.82	2.4
+M	1.49	1.56	2.14
+L	1.82	1.91	2.53
+S	2.0	2.09	2.64
+V	1.76	1.83	2.21
+P	1.89	1.97	2.38
+K	2.08	2.17	2.72
+R	2.03	2.12	2.59
+A	1.99	2.07	2.45
+N	2.04	2.14	2.67
+D	2.02	2.13	2.8
+A	2.08	2.14	2.66
+M	2.12	2.17	2.68
+H	1.97	2.05	2.88
+L	1.98	2.02	2.71
+S	2.27	2.26	2.72
+M	2.2	2.16	2.86
+L	1.91	1.86	2.3
+E	2.25	2.12	2.76
+G	2.3	2.33	3.15
+F	2.17	2.32	2.78
+D	2.72	3.24	3.33
+E	2.74	3.07	3.38
+N	3.01	3.31	3.62
+I	2.65	2.97	3.09
+E	3.05	3.45	3.74
+S	2.97	3.36	3.8
+Q	2.34	2.71	3.06
+G	2.56	3.07	3.55
+E	2.46	3.06	3.62
+L	1.94	2.54	3.0
+I	1.88	2.56	3.11
+L	1.58	2.32	2.73
+Q	1.32	1.97	2.11
+E	1.37	2.02	2.1
+S	1.53	2.01	1.96
+F	1.54	2.05	2.25
+Q	1.84	2.33	2.68
+V	1.58	1.99	2.45
+W	1.96	2.4	3.1
+D	2.14	2.56	3.11
+P	2.97	3.06	3.56
+K	3.22	3.97	4.58
+T	3.65	3.99	4.84
+L	4.46	4.69	5.91
+I	4.28	4.24	5.27
+R	3.68	4.21	5.31
+K	3.29	3.77	4.56
+G	2.52	2.95	3.52
+R	2.16	2.53	2.87
+E	1.98	2.28	2.32
+R	1.42	1.53	1.53
+H	1.21	1.38	1.16
+L	0.84	1.08	1.09
+F	1.04	1.37	1.48
+L	1.21	1.63	1.91
+F	1.67	2.12	2.39
+E	2.12	2.58	2.9
+M	2.14	2.49	2.59
+S	1.62	1.89	1.88
+L	1.09	1.24	1.33
+V	1.02	1.08	1.08
+F	0.93	0.89	0.83
+S	1.27	1.15	1.16
+K	1.68	1.56	1.64
+E	2.03	1.92	1.88
+V	2.53	2.33	2.66
+K	3.61	2.83	2.94
+D	4.49	3.13	3.36
+S	4.78	4.1	4.42
+S	4.87	4.39	3.72
+G	4.41	4.02	4.02
+R	3.7	3.25	3.21
+S	2.75	2.68	2.87
+K	2.32	2.19	2.46
+Y	1.84	1.72	1.75
+L	1.9	1.75	2.13
+Y	1.64	1.6	1.92
+K	1.56	1.59	1.86
+S	1.45	1.58	1.58
+K	1.32	1.52	1.39
+L	1.39	1.61	1.42
+F	1.81	2.03	1.86
+T	1.86	1.99	2.06
+S	2.45	2.54	2.58
+E	2.33	2.41	2.3
+L	1.89	1.92	1.99
+G	2.08	2.17	2.52
+V	1.97	2.2	2.94
+T	2.3	2.72	3.68
+E	2.46	3.0	4.22
+H	2.73	3.45	4.77
+V	2.8	3.42	4.66
+E	3.31	4.05	5.48
+G	3.78	4.5	6.33
+D	3.22	4.22	5.58
+P	3.05	4.06	5.48
+C	2.55	3.52	4.58
+K	2.28	3.01	4.07
+F	1.99	2.53	3.58
+A	1.81	2.17	3.02
+L	1.57	1.8	2.29
+W	1.93	2.07	2.32
+V	2.1	2.19	2.09
+G	2.7	3.03	2.73
+R	3.34	3.94	4.32
+T	4.33	4.28	5.44
+P	4.72	4.1	5.99
+T	4.32	4.0	4.72
+S	4.73	4.67	5.0
+D	3.67	3.8	4.98
+N	2.78	3.41	3.67
+K	2.08	2.37	3.03
+I	1.65	1.94	2.52
+V	1.79	2.19	3.01
+L	1.62	2.05	2.8
+K	1.99	2.68	3.43
+A	2.02	2.86	3.51
+S	2.49	3.47	3.97
+S	2.73	3.91	4.72
+I	2.79	3.96	5.07
+E	2.78	4.04	5.12
+N	2.26	3.38	4.18
+K	2.06	3.0	3.96
+Q	2.38	3.35	4.57
+D	2.21	3.24	4.28
+W	1.68	2.54	3.31
+I	1.92	2.57	3.58
+K	2.26	3.02	4.16
+H	1.97	2.72	3.6
+I	1.73	2.2	2.9
+R	2.24	2.62	3.58
+E	2.44	3.05	4.02
+V	2.21	2.76	3.37
+I	2.35	2.68	3.16
+Q	2.88	3.28	4.0
+E	2.98	3.83	4.14
+R	2.91	4.26	3.67
+T	3.31	4.34	3.92

atlas_1000_analysis/1nty_A/1nty_A_contacts.tsv

@@ -0,0 +1,312 @@
+seq	nb_chain	nb_ligand	nb_ion	nb_nucleotide	name_chain	name_ligand	name_ion	name_nucleotide
+E	-	-	-	-	-	-	-	-
+E	-	-	-	-	-	-	-	-
+K	-	-	-	-	-	-	-	-
+R	-	-	-	-	-	-	-	-
+K	-	-	-	-	-	-	-	-
+S	-	-	-	-	-	-	-	-
+A	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
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+D	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+C	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+T	0	0	0	0	-	-	-	-
+W	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+D	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+F	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+M	0	0	0	0	-	-	-	-
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+V	0	0	0	0	-	-	-	-
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+H	0	0	0	0	-	-	-	-
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+D	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
+R	0	0	0	0	-	-	-	-
+H	0	0	0	0	-	-	-	-
+G	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+A	0	0	0	0	-	-	-	-
+N	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+S	0	0	0	0	-	-	-	-
+Y	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+I	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+P	0	0	0	0	-	-	-	-
+V	0	0	0	0	-	-	-	-
+Q	0	0	0	0	-	-	-	-
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+I	0	0	0	0	-	-	-	-
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+K	0	0	0	0	-	-	-	-
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+Q	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+L	0	0	0	0	-	-	-	-
+K	0	0	0	0	-	-	-	-
+E	0	0	0	0	-	-	-	-
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+L	0	0	0	0	-	-	-	-
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+T	0	0	0	0	-	-	-	-

atlas_1000_analysis/1nty_A/1nty_A_corresp.tsv

@@ -0,0 +1,312 @@
+UnP_seq	PDB_seq	PDB_num	CIF_num	UnP_num	gap	hetatm	corrected	no_fullbb	no_ca
+E	-	1225	1	1	1	0	0	0	0
+E	-	1226	2	2	1	0	0	0	0
+K	-	1227	3	3	1	0	0	0	0
+R	-	1228	4	4	1	0	0	0	0
+K	-	1229	5	5	1	0	0	0	0
+S	-	1230	6	6	1	0	0	0	0
+A	A	1231	7	7	0	0	0	0	0
+R	R	1232	8	8	0	0	0	0	0
+R	R	1233	9	9	0	0	0	0	0
+K	K	1234	10	10	0	0	0	0	0
+E	E	1235	11	11	0	0	0	0	0
+F	F	1236	12	12	0	0	0	0	0
+I	I	1237	13	13	0	0	0	0	0
+M	M	1238	14	14	0	0	0	0	0
+A	A	1239	15	15	0	0	0	0	0
+E	E	1240	16	16	0	0	0	0	0
+L	L	1241	17	17	0	0	0	0	0
+I	I	1242	18	18	0	0	0	0	0
+Q	Q	1243	19	19	0	0	0	0	0
+T	T	1244	20	20	0	0	0	0	0
+E	E	1245	21	21	0	0	0	0	0
+K	K	1246	22	22	0	0	0	0	0
+A	A	1247	23	23	0	0	0	0	0
+Y	Y	1248	24	24	0	0	0	0	0
+V	V	1249	25	25	0	0	0	0	0
+R	R	1250	26	26	0	0	0	0	0
+D	D	1251	27	27	0	0	0	0	0
+L	L	1252	28	28	0	0	0	0	0
+R	R	1253	29	29	0	0	0	0	0
+E	E	1254	30	30	0	0	0	0	0
+C	C	1255	31	31	0	0	0	0	0
+M	M	1256	32	32	0	0	0	0	0
+D	D	1257	33	33	0	0	0	0	0
+T	T	1258	34	34	0	0	0	0	0
+Y	Y	1259	35	35	0	0	0	0	0
+L	L	1260	36	36	0	0	0	0	0
+W	W	1261	37	37	0	0	0	0	0
+E	E	1262	38	38	0	0	0	0	0
+M	M	1263	39	39	0	0	0	0	0
+T	T	1264	40	40	0	0	0	0	0
+S	S	1265	41	41	0	0	0	0	0
+G	G	1266	42	42	0	0	0	0	0
+V	V	1267	43	43	0	0	0	0	0
+E	E	1268	44	44	0	0	0	0	0
+E	E	1269	45	45	0	0	0	0	0
+I	I	1270	46	46	0	0	0	0	0
+P	P	1271	47	47	0	0	0	0	0
+P	P	1272	48	48	0	0	0	0	0
+G	G	1273	49	49	0	0	0	0	0
+I	I	1274	50	50	0	0	0	0	0
+V	V	1275	51	51	0	0	0	0	0
+N	N	1276	52	52	0	0	0	0	0
+K	K	1277	53	53	0	0	0	0	0
+E	E	1278	54	54	0	0	0	0	0
+L	L	1279	55	55	0	0	0	0	0
+I	I	1280	56	56	0	0	0	0	0
+I	I	1281	57	57	0	0	0	0	0
+F	F	1282	58	58	0	0	0	0	0
+G	G	1283	59	59	0	0	0	0	0
+N	N	1284	60	60	0	0	0	0	0
+M	M	1285	61	61	0	0	0	0	0
+Q	Q	1286	62	62	0	0	0	0	0
+E	E	1287	63	63	0	0	0	0	0
+I	I	1288	64	64	0	0	0	0	0
+Y	Y	1289	65	65	0	0	0	0	0
+E	E	1290	66	66	0	0	0	0	0
+F	F	1291	67	67	0	0	0	0	0
+H	H	1292	68	68	0	0	0	0	0
+N	N	1293	69	69	0	0	0	0	0
+N	N	1294	70	70	0	0	0	0	0
+I	I	1295	71	71	0	0	0	0	0
+F	F	1296	72	72	0	0	0	0	0
+L	L	1297	73	73	0	0	0	0	0
+K	K	1298	74	74	0	0	0	0	0
+E	E	1299	75	75	0	0	0	0	0
+L	L	1300	76	76	0	0	0	0	0
+E	E	1301	77	77	0	0	0	0	0
+K	K	1302	78	78	0	0	0	0	0
+Y	Y	1303	79	79	0	0	0	0	0
+E	E	1304	80	80	0	0	0	0	0
+Q	Q	1305	81	81	0	0	0	0	0
+L	L	1306	82	82	0	0	0	0	0
+P	P	1307	83	83	0	0	0	0	0
+E	E	1308	84	84	0	0	0	0	0
+D	D	1309	85	85	0	0	0	0	0
+V	V	1310	86	86	0	0	0	0	0
+G	G	1311	87	87	0	0	0	0	0
+H	H	1312	88	88	0	0	0	0	0
+C	C	1313	89	89	0	0	0	0	0
+F	F	1314	90	90	0	0	0	0	0
+V	V	1315	91	91	0	0	0	0	0
+T	T	1316	92	92	0	0	0	0	0
+W	W	1317	93	93	0	0	0	0	0
+A	A	1318	94	94	0	0	0	0	0
+D	D	1319	95	95	0	0	0	0	0
+K	K	1320	96	96	0	0	0	0	0
+F	F	1321	97	97	0	0	0	0	0
+Q	Q	1322	98	98	0	0	0	0	0
+M	M	1323	99	99	0	0	0	0	0
+Y	Y	1324	100	100	0	0	0	0	0
+V	V	1325	101	101	0	0	0	0	0
+T	T	1326	102	102	0	0	0	0	0
+Y	Y	1327	103	103	0	0	0	0	0
+C	C	1328	104	104	0	0	0	0	0
+K	K	1329	105	105	0	0	0	0	0
+N	N	1330	106	106	0	0	0	0	0
+K	K	1331	107	107	0	0	0	0	0
+P	P	1332	108	108	0	0	0	0	0
+D	D	1333	109	109	0	0	0	0	0
+S	S	1334	110	110	0	0	0	0	0
+T	T	1335	111	111	0	0	0	0	0
+Q	Q	1336	112	112	0	0	0	0	0
+L	L	1337	113	113	0	0	0	0	0
+I	I	1338	114	114	0	0	0	0	0
+L	L	1339	115	115	0	0	0	0	0
+E	E	1340	116	116	0	0	0	0	0
+H	H	1341	117	117	0	0	0	0	0
+A	A	1342	118	118	0	0	0	0	0
+G	G	1343	119	119	0	0	0	0	0
+S	S	1344	120	120	0	0	0	0	0
+Y	Y	1345	121	121	0	0	0	0	0
+F	F	1346	122	122	0	0	0	0	0
+D	D	1347	123	123	0	0	0	0	0
+E	E	1348	124	124	0	0	0	0	0
+I	I	1349	125	125	0	0	0	0	0
+Q	Q	1350	126	126	0	0	0	0	0
+Q	Q	1351	127	127	0	0	0	0	0
+R	R	1352	128	128	0	0	0	0	0
+H	H	1353	129	129	0	0	0	0	0
+G	G	1354	130	130	0	0	0	0	0
+L	L	1355	131	131	0	0	0	0	0
+A	A	1356	132	132	0	0	0	0	0
+N	N	1357	133	133	0	0	0	0	0
+S	S	1358	134	134	0	0	0	0	0
+I	I	1359	135	135	0	0	0	0	0
+S	S	1360	136	136	0	0	0	0	0
+S	S	1361	137	137	0	0	0	0	0
+Y	Y	1362	138	138	0	0	0	0	0
+L	L	1363	139	139	0	0	0	0	0
+I	I	1364	140	140	0	0	0	0	0
+K	K	1365	141	141	0	0	0	0	0
+P	P	1366	142	142	0	0	0	0	0
+V	V	1367	143	143	0	0	0	0	0
+Q	Q	1368	144	144	0	0	0	0	0
+R	R	1369	145	145	0	0	0	0	0
+I	I	1370	146	146	0	0	0	0	0
+T	T	1371	147	147	0	0	0	0	0
+K	K	1372	148	148	0	0	0	0	0
+Y	Y	1373	149	149	0	0	0	0	0
+Q	Q	1374	150	150	0	0	0	0	0
+L	L	1375	151	151	0	0	0	0	0
+L	L	1376	152	152	0	0	0	0	0
+L	L	1377	153	153	0	0	0	0	0
+K	K	1378	154	154	0	0	0	0	0
+E	E	1379	155	155	0	0	0	0	0
+L	L	1380	156	156	0	0	0	0	0
+L	L	1381	157	157	0	0	0	0	0
+T	T	1382	158	158	0	0	0	0	0
+C	C	1383	159	159	0	0	0	0	0
+C	C	1384	160	160	0	0	0	0	0
+E	E	1385	161	161	0	0	0	0	0
+E	E	1386	162	162	0	0	0	0	0
+G	G	1387	163	163	0	0	0	0	0
+K	K	1388	164	164	0	0	0	0	0
+G	G	1389	165	165	0	0	0	0	0
+E	E	1390	166	166	0	0	0	0	0
+I	I	1391	167	167	0	0	0	0	0
+K	K	1392	168	168	0	0	0	0	0
+D	D	1393	169	169	0	0	0	0	0
+G	G	1394	170	170	0	0	0	0	0
+L	L	1395	171	171	0	0	0	0	0
+E	E	1396	172	172	0	0	0	0	0
+V	V	1397	173	173	0	0	0	0	0
+M	M	1398	174	174	0	0	0	0	0
+L	L	1399	175	175	0	0	0	0	0
+S	S	1400	176	176	0	0	0	0	0
+V	V	1401	177	177	0	0	0	0	0
+P	P	1402	178	178	0	0	0	0	0
+K	K	1403	179	179	0	0	0	0	0
+R	R	1404	180	180	0	0	0	0	0
+A	A	1405	181	181	0	0	0	0	0
+N	N	1406	182	182	0	0	0	0	0
+D	D	1407	183	183	0	0	0	0	0
+A	A	1408	184	184	0	0	0	0	0
+M	M	1409	185	185	0	0	0	0	0
+H	H	1410	186	186	0	0	0	0	0
+L	L	1411	187	187	0	0	0	0	0
+S	S	1412	188	188	0	0	0	0	0
+M	M	1413	189	189	0	0	0	0	0
+L	L	1414	190	190	0	0	0	0	0
+E	E	1415	191	191	0	0	0	0	0
+G	G	1416	192	192	0	0	0	0	0
+F	F	1417	193	193	0	0	0	0	0
+D	D	1418	194	194	0	0	0	0	0
+E	E	1419	195	195	0	0	0	0	0
+N	N	1420	196	196	0	0	0	0	0
+I	I	1421	197	197	0	0	0	0	0
+E	E	1422	198	198	0	0	0	0	0
+S	S	1423	199	199	0	0	0	0	0
+Q	Q	1424	200	200	0	0	0	0	0
+G	G	1425	201	201	0	0	0	0	0
+E	E	1426	202	202	0	0	0	0	0
+L	L	1427	203	203	0	0	0	0	0
+I	I	1428	204	204	0	0	0	0	0
+L	L	1429	205	205	0	0	0	0	0
+Q	Q	1430	206	206	0	0	0	0	0
+E	E	1431	207	207	0	0	0	0	0
+S	S	1432	208	208	0	0	0	0	0
+F	F	1433	209	209	0	0	0	0	0
+Q	Q	1434	210	210	0	0	0	0	0
+V	V	1435	211	211	0	0	0	0	0
+W	W	1436	212	212	0	0	0	0	0
+D	D	1437	213	213	0	0	0	0	0
+P	P	1438	214	214	0	0	0	0	0
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+T	T	1440	216	216	0	0	0	0	0
+L	L	1441	217	217	0	0	0	0	0
+I	I	1442	218	218	0	0	0	0	0
+R	R	1443	219	219	0	0	0	0	0
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+G	G	1445	221	221	0	0	0	0	0
+R	R	1446	222	222	0	0	0	0	0
+E	E	1447	223	223	0	0	0	0	0
+R	R	1448	224	224	0	0	0	0	0
+H	H	1449	225	225	0	0	0	0	0
+L	L	1450	226	226	0	0	0	0	0
+F	F	1451	227	227	0	0	0	0	0
+L	L	1452	228	228	0	0	0	0	0
+F	F	1453	229	229	0	0	0	0	0
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+L	L	1457	233	233	0	0	0	0	0
+V	V	1458	234	234	0	0	0	0	0
+F	F	1459	235	235	0	0	0	0	0
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+V	V	1463	239	239	0	0	0	0	0
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+G	G	1468	244	244	0	0	0	0	0
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+F	F	1479	255	255	0	0	0	0	0
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+G	G	1491	267	267	0	0	0	0	0
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+G	G	1501	277	277	0	0	0	0	0
+R	R	1502	278	278	0	0	0	0	0
+T	T	1503	279	279	0	0	0	0	0
+P	P	1504	280	280	0	0	0	0	0
+T	T	1505	281	281	0	0	0	0	0
+S	S	1506	282	282	0	0	0	0	0
+D	D	1507	283	283	0	0	0	0	0
+N	N	1508	284	284	0	0	0	0	0
+K	K	1509	285	285	0	0	0	0	0
+I	I	1510	286	286	0	0	0	0	0
+V	V	1511	287	287	0	0	0	0	0
+L	L	1512	288	288	0	0	0	0	0
+K	K	1513	289	289	0	0	0	0	0
+A	A	1514	290	290	0	0	0	0	0
+S	S	1515	291	291	0	0	0	0	0
+S	S	1516	292	292	0	0	0	0	0
+I	I	1517	293	293	0	0	0	0	0
+E	E	1518	294	294	0	0	0	0	0
+N	N	1519	295	295	0	0	0	0	0
+K	K	1520	296	296	0	0	0	0	0
+Q	Q	1521	297	297	0	0	0	0	0
+D	D	1522	298	298	0	0	0	0	0
+W	W	1523	299	299	0	0	0	0	0
+I	I	1524	300	300	0	0	0	0	0
+K	K	1525	301	301	0	0	0	0	0
+H	H	1526	302	302	0	0	0	0	0
+I	I	1527	303	303	0	0	0	0	0
+R	R	1528	304	304	0	0	0	0	0
+E	E	1529	305	305	0	0	0	0	0
+V	V	1530	306	306	0	0	0	0	0
+I	I	1531	307	307	0	0	0	0	0
+Q	Q	1532	308	308	0	0	0	0	0
+E	E	1533	309	309	0	0	0	0	0
+R	R	1534	310	310	0	0	0	0	0
+T	T	1535	311	311	0	0	0	0	0

atlas_1000_analysis/1nty_A/1nty_A_gyrate.tsv

@@ -0,0 +1,1001 @@
+time	gyr_R1	gyr_R2	gyr_R3
+0.1	24.7	24.29	24.23
+0.2	24.57	24.23	24.14
+0.3	24.4	24.46	24.0
+0.4	24.75	24.29	24.05
+0.5	24.62	24.4	24.07
+0.6	24.62	24.33	24.39
+0.7	24.28	24.8	24.28
+0.8	24.52	24.19	23.97
+0.9	24.37	24.14	24.2
+1.0	24.55	24.29	23.95
+1.1	24.35	24.22	24.26
+1.2	24.61	24.88	24.2
+1.3	24.25	24.51	24.0
+1.4	24.39	24.82	24.15
+1.5	24.47	24.56	24.02
+1.6	24.42	24.62	24.33
+1.7	24.38	24.49	24.5
+1.8	24.36	24.44	24.55
+1.9	24.43	24.8	24.45
+2.0	24.25	24.18	24.71
+2.1	24.01	24.3	24.38
+2.2	23.94	24.37	24.67
+2.3	24.19	24.33	24.72
+2.4	24.02	24.32	24.37
+2.5	24.0	24.63	24.5
+2.6	24.14	24.64	24.62
+2.7	24.02	24.3	24.38
+2.8	24.1	24.63	24.11
+2.9	24.37	24.44	24.44
+3.0	24.82	24.46	24.33
+3.1	24.22	24.85	24.41
+3.2	24.6	24.6	24.52
+3.3	24.77	24.59	24.42
+3.4	24.49	24.8	24.63
+3.5	24.53	24.66	24.08
+3.6	24.49	24.44	24.21
+3.7	24.28	24.43	23.78
+3.8	24.26	24.43	23.98
+3.9	24.21	24.62	24.35
+4.0	24.39	24.99	24.58
+4.1	24.51	24.67	24.55
+4.2	24.48	24.75	24.34
+4.3	24.42	24.77	24.13
+4.4	24.33	24.3	24.46
+4.5	24.74	24.15	24.25
+4.6	25.29	24.29	24.58
+4.7	24.52	24.26	24.42
+4.8	24.91	24.41	24.36
+4.9	24.82	24.32	24.47
+5.0	25.05	24.35	24.06
+5.1	25.05	24.16	24.55
+5.2	24.99	24.35	24.59
+5.3	25.18	24.34	24.71
+5.4	25.21	24.16	24.2
+5.5	25.2	24.26	23.99
+5.6	25.12	24.25	24.21
+5.7	24.86	24.28	24.41
+5.8	24.82	24.41	24.15
+5.9	24.69	24.3	23.99
+6.0	24.73	24.57	24.28
+6.1	24.64	24.05	24.18
+6.2	24.9	24.38	24.05
+6.3	24.73	24.15	24.5
+6.4	24.59	24.46	24.13
+6.5	24.63	24.52	24.25
+6.6	24.69	24.74	24.62
+6.7	24.57	24.45	24.58
+6.8	24.61	24.11	24.37
+6.9	24.88	24.53	24.64
+7.0	24.84	24.64	24.37
+7.1	25.02	24.51	24.59
+7.2	24.71	24.39	24.38
+7.3	24.57	24.45	24.63
+7.4	24.58	24.28	24.5
+7.5	24.51	24.54	24.04
+7.6	24.68	24.55	23.81
+7.7	24.64	24.95	23.95
+7.8	24.82	24.67	24.25
+7.9	24.66	24.94	24.28
+8.0	24.72	25.01	24.22
+8.1	24.65	25.13	24.08
+8.2	24.74	24.6	24.31
+8.3	24.72	24.72	24.41
+8.4	24.81	24.86	24.23
+8.5	24.71	24.97	24.28
+8.6	24.52	24.99	24.37
+8.7	24.69	24.66	24.25
+8.8	24.81	24.83	24.66
+8.9	24.91	24.84	24.42
+9.0	24.85	24.89	23.98
+9.1	24.75	24.97	23.94
+9.2	24.76	24.88	24.31
+9.3	24.31	25.18	24.18
+9.4	24.81	24.82	24.32
+9.5	24.81	24.81	24.44
+9.6	25.28	24.82	24.36
+9.7	24.91	24.74	24.65
+9.8	24.82	24.6	24.65
+9.9	24.51	24.54	24.91
+10.0	24.82	24.68	24.48
+10.1	24.72	24.65	24.3
+10.2	24.72	24.66	24.26
+10.3	24.51	24.67	24.14
+10.4	24.36	24.75	24.26
+10.5	24.35	24.64	24.24
+10.6	24.58	24.47	24.33
+10.7	24.45	24.48	24.29
+10.8	24.54	24.81	24.25
+10.9	24.73	24.43	24.26
+11.0	24.3	24.33	24.27
+11.1	24.49	24.37	24.82
+11.2	24.63	24.43	24.22
+11.3	24.66	24.52	24.38
+11.4	24.6	24.44	24.32
+11.5	24.56	24.11	24.22
+11.6	24.44	24.4	24.13
+11.7	24.69	24.47	23.94
+11.8	24.24	24.38	23.82
+11.9	24.49	24.44	24.19
+12.0	24.63	24.76	24.21
+12.1	24.67	24.96	24.21
+12.2	24.51	24.86	24.18
+12.3	24.45	24.53	24.61
+12.4	24.51	25.08	24.77
+12.5	24.45	24.8	24.49
+12.6	24.13	24.41	24.85
+12.7	24.39	23.99	24.6
+12.8	24.36	24.23	24.36
+12.9	24.26	24.01	24.39
+13.0	24.36	23.94	24.38
+13.1	24.57	24.48	24.98
+13.2	24.77	24.55	25.08
+13.3	24.62	24.41	24.52
+13.4	24.39	24.18	24.36
+13.5	24.67	24.29	24.33
+13.6	24.56	24.15	24.24
+13.7	24.5	24.15	24.21
+13.8	24.44	24.22	24.25
+13.9	24.71	24.38	24.15
+14.0	24.45	24.64	24.21
+14.1	24.42	24.55	24.12
+14.2	24.05	24.47	24.19
+14.3	24.36	24.27	24.17
+14.4	24.89	24.28	24.22
+14.5	24.7	24.99	24.51
+14.6	24.6	24.65	24.6
+14.7	24.39	24.47	24.59
+14.8	24.58	24.33	24.67
+14.9	24.84	23.93	24.27
+15.0	24.84	24.08	24.32
+15.1	25.02	24.0	24.69
+15.2	24.87	24.45	24.68
+15.3	24.93	24.11	24.96
+15.4	25.26	24.22	24.68
+15.5	25.79	23.98	24.79
+15.6	25.23	24.53	24.49
+15.7	24.94	24.39	24.42
+15.8	24.88	24.4	24.29
+15.9	24.95	24.5	24.52
+16.0	24.52	24.51	24.52
+16.1	24.51	24.43	24.91
+16.2	24.66	24.2	24.54
+16.3	24.72	24.19	24.62
+16.4	24.39	24.06	24.37
+16.5	24.03	24.14	24.61
+16.6	23.98	24.14	24.61
+16.7	24.21	23.91	24.64
+16.8	24.65	24.0	24.46
+16.9	24.58	23.87	24.27
+17.0	24.92	23.83	23.98
+17.1	24.73	23.91	24.35
+17.2	24.9	23.91	24.14
+17.3	24.72	23.79	24.15
+17.4	24.83	24.13	24.33
+17.5	25.21	23.86	24.37
+17.6	24.68	23.85	24.58
+17.7	24.82	23.93	24.29
+17.8	24.3	23.91	24.17
+17.9	24.4	23.94	24.56
+18.0	24.14	24.01	24.4
+18.1	24.39	23.88	24.28
+18.2	24.41	23.59	24.66
+18.3	24.07	24.06	24.55
+18.4	24.25	23.92	24.63
+18.5	24.23	24.21	24.47
+18.6	24.54	24.25	24.72
+18.7	24.2	24.29	24.52
+18.8	24.34	24.36	24.43
+18.9	24.12	24.28	24.56
+19.0	24.27	24.27	24.31
+19.1	24.26	24.32	24.32
+19.2	24.25	24.1	24.18
+19.3	24.53	23.94	24.38
+19.4	24.85	24.32	24.14
+19.5	24.38	24.36	24.41
+19.6	24.46	24.54	24.2
+19.7	24.8	24.44	24.37
+19.8	24.87	24.32	24.42
+19.9	24.66	24.38	24.42
+20.0	24.03	24.21	24.61
+20.1	23.98	24.27	24.78
+20.2	23.68	24.65	24.49
+20.3	24.02	24.89	24.68
+20.4	23.94	24.74	24.46
+20.5	24.19	24.27	24.59
+20.6	24.38	24.58	24.59
+20.7	24.3	24.45	24.5
+20.8	24.6	24.43	24.72
+20.9	24.09	24.37	24.58
+21.0	24.36	24.39	24.61
+21.1	24.26	24.18	24.41
+21.2	24.32	24.61	24.42
+21.3	24.32	25.0	24.35
+21.4	24.69	24.77	24.36
+21.5	24.15	24.36	24.54
+21.6	23.83	24.5	24.62
+21.7	23.84	24.75	24.37
+21.8	23.84	24.83	24.48
+21.9	24.04	24.46	24.01
+22.0	24.06	24.64	24.25
+22.1	24.26	24.36	24.16
+22.2	24.61	24.69	24.26
+22.3	24.8	24.19	24.3
+22.4	24.51	24.48	24.39
+22.5	24.39	24.53	24.21
+22.6	24.26	24.6	24.2
+22.7	24.47	24.87	24.34
+22.8	24.36	24.75	24.19
+22.9	24.15	24.52	24.05
+23.0	24.3	24.39	24.5
+23.1	24.33	24.64	24.29
+23.2	24.57	24.71	24.22
+23.3	24.52	24.73	24.2
+23.4	24.48	24.46	24.21
+23.5	24.39	24.64	24.31
+23.6	24.24	24.6	24.26
+23.7	24.38	24.37	24.3
+23.8	24.5	24.4	24.44
+23.9	24.68	24.59	24.24
+24.0	24.7	24.32	24.14
+24.1	24.62	24.49	24.14
+24.2	24.49	24.24	24.28
+24.3	24.39	24.63	24.22
+24.4	24.3	24.62	24.46
+24.5	24.22	24.46	24.17
+24.6	24.15	24.44	24.52
+24.7	24.28	24.53	24.54
+24.8	24.1	24.43	24.48
+24.9	24.2	24.37	24.7
+25.0	24.21	24.15	24.36
+25.1	24.21	24.5	24.51
+25.2	23.82	24.36	24.61
+25.3	24.24	24.21	24.72
+25.4	23.96	24.3	24.64
+25.5	24.3	24.41	24.49
+25.6	24.03	24.68	24.38
+25.7	24.0	24.63	24.23
+25.8	24.28	24.7	24.51
+25.9	24.24	24.78	24.01
+26.0	24.42	24.5	24.14
+26.1	24.43	24.56	24.34
+26.2	24.32	24.76	24.35
+26.3	24.78	24.58	24.33
+26.4	24.87	24.94	24.56
+26.5	24.52	24.81	24.27
+26.6	24.29	24.94	23.94
+26.7	24.89	24.97	24.02
+26.8	24.64	25.57	24.35
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+27.0	24.39	25.23	24.54
+27.1	24.41	25.25	24.81
+27.2	24.43	25.41	24.9
+27.3	24.47	25.09	24.77
+27.4	24.77	25.12	24.71
+27.5	24.64	24.78	24.59
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+27.7	25.04	24.67	24.65
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+27.9	24.86	24.48	24.55
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+28.4	25.21	24.26	24.62
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+28.8	24.82	24.53	24.69
+28.9	25.04	24.69	24.66
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+29.3	25.22	24.57	24.97
+29.4	25.37	24.87	24.9
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+30.3	24.98	24.61	24.71
+30.4	25.11	24.42	24.48
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+30.9	25.07	24.5	24.79
+31.0	24.9	24.7	24.94
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+31.3	24.59	24.27	25.1
+31.4	24.82	24.45	25.08
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+31.7	24.5	24.5	25.14
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+36.2	24.27	24.86	25.24
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+38.7	24.51	24.75	24.99
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+38.9	24.41	24.88	25.25
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+39.3	24.59	24.72	25.55
+39.4	24.72	24.57	25.58
+39.5	25.0	24.83	25.45
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+39.7	24.96	24.72	25.34
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+39.9	25.23	24.98	25.18
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+40.4	24.66	24.62	25.65
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+86.0	24.6	24.68	24.95
+86.1	24.47	25.01	25.07
+86.2	24.46	24.72	25.26
+86.3	24.42	24.92	25.23
+86.4	24.2	24.63	25.4
+86.5	24.37	24.61	25.22
+86.6	24.47	24.58	25.51
+86.7	24.17	24.77	25.54
+86.8	24.36	24.88	25.41
+86.9	24.49	24.7	25.5
+87.0	24.27	24.82	25.3
+87.1	24.52	25.19	25.33
+87.2	24.51	25.22	25.26
+87.3	24.67	24.99	25.3
+87.4	24.88	25.3	25.25
+87.5	24.7	25.25	25.36
+87.6	24.52	25.2	25.22
+87.7	24.66	25.26	25.11
+87.8	24.88	25.47	25.12
+87.9	24.63	25.18	25.19
+88.0	24.95	25.3	25.36
+88.1	24.91	25.1	25.21
+88.2	25.21	25.22	25.28
+88.3	24.77	25.19	25.34
+88.4	24.47	25.04	25.32
+88.5	24.74	25.0	25.26
+88.6	24.89	25.17	25.24
+88.7	24.75	25.12	25.52
+88.8	24.82	25.22	25.36
+88.9	24.33	24.97	25.22
+89.0	24.35	24.94	25.27
+89.1	24.23	24.78	25.2
+89.2	24.44	24.86	25.13
+89.3	24.67	24.74	25.65
+89.4	24.5	24.9	25.74
+89.5	24.43	24.97	25.82
+89.6	24.33	24.88	25.81
+89.7	24.56	24.74	25.79
+89.8	24.33	24.92	25.85
+89.9	24.33	24.95	25.81
+90.0	24.56	24.96	25.8
+90.1	24.6	24.82	25.66
+90.2	24.73	24.89	25.77
+90.3	24.71	25.02	25.8
+90.4	24.71	25.0	25.88
+90.5	24.69	24.97	25.77
+90.6	24.8	25.03	25.56
+90.7	24.42	24.78	25.68
+90.8	24.56	24.84	25.74
+90.9	24.56	24.88	25.77
+91.0	24.28	24.96	26.02
+91.1	24.35	24.84	25.92
+91.2	24.46	24.94	25.88
+91.3	24.3	25.15	25.97
+91.4	24.23	24.84	25.85
+91.5	24.51	24.98	25.83
+91.6	24.84	24.86	25.81
+91.7	24.76	24.97	25.98
+91.8	24.02	24.88	26.11
+91.9	24.31	24.99	25.67
+92.0	24.85	24.77	25.85
+92.1	24.67	24.77	25.68
+92.2	25.07	24.86	25.38
+92.3	24.22	24.81	25.18
+92.4	24.33	24.87	25.14
+92.5	24.41	25.05	25.08
+92.6	24.53	25.06	25.35
+92.7	24.45	24.87	25.38
+92.8	24.69	24.83	25.42
+92.9	24.14	24.83	25.57
+93.0	24.26	24.91	25.42
+93.1	24.45	25.15	25.31
+93.2	24.83	25.07	25.49
+93.3	25.01	25.07	25.22
+93.4	24.81	25.23	25.22
+93.5	24.82	25.05	24.95
+93.6	24.69	25.08	25.08
+93.7	24.78	25.18	25.0
+93.8	24.67	25.11	25.14
+93.9	24.66	25.07	25.11
+94.0	24.76	25.57	24.97
+94.1	24.43	25.36	24.94
+94.2	24.66	25.3	25.19
+94.3	24.77	25.17	25.28
+94.4	24.42	25.21	25.18
+94.5	24.98	25.09	25.33
+94.6	24.46	24.94	25.05
+94.7	24.7	25.39	25.05
+94.8	24.68	25.77	25.01
+94.9	24.37	25.29	25.06
+95.0	24.85	25.03	25.02
+95.1	24.55	25.15	25.03
+95.2	24.76	25.1	25.08
+95.3	24.61	25.24	25.15
+95.4	24.8	25.24	25.48
+95.5	24.63	25.09	25.3
+95.6	24.65	25.17	25.33
+95.7	24.5	25.07	25.25
+95.8	24.41	25.31	25.44
+95.9	24.38	25.03	25.34
+96.0	24.12	24.97	25.03
+96.1	24.54	24.88	24.86
+96.2	24.55	24.87	24.73
+96.3	24.38	24.79	24.99
+96.4	24.14	24.97	24.58
+96.5	24.22	24.96	25.04
+96.6	24.17	24.76	24.97
+96.7	24.81	24.49	24.89
+96.8	24.6	24.63	24.79
+96.9	24.49	24.69	25.14
+97.0	24.33	24.89	24.97
+97.1	24.66	24.68	25.23
+97.2	24.48	24.49	25.28
+97.3	24.39	24.47	25.2
+97.4	24.39	24.45	25.01
+97.5	24.35	24.45	24.97
+97.6	24.26	24.28	25.11
+97.7	24.41	24.65	24.94
+97.8	24.21	24.49	25.05
+97.9	24.27	24.44	25.19
+98.0	24.23	24.65	25.02
+98.1	24.21	24.32	25.21
+98.2	24.09	24.37	24.76
+98.3	24.56	24.64	25.08
+98.4	24.59	24.54	25.1
+98.5	24.67	24.73	25.15
+98.6	24.61	24.58	25.14
+98.7	24.66	24.59	25.12
+98.8	24.02	24.69	24.94
+98.9	24.24	25.04	25.12
+99.0	24.26	24.63	25.29
+99.1	24.61	24.47	26.01
+99.2	24.24	24.44	25.99
+99.3	24.34	24.56	26.07
+99.4	24.22	24.47	25.54
+99.5	24.54	24.32	25.54
+99.6	24.52	24.39	25.38
+99.7	24.78	24.36	25.49
+99.8	24.56	24.52	25.46
+99.9	24.48	24.61	25.18
+100.0	24.38	24.86	25.25

atlas_1000_analysis/1nty_A/1nty_A_pLDDT.tsv

@@ -0,0 +1,312 @@
+seq	pLDDT
+E	60.23
+E	69.37
+K	70.92
+R	71.09
+K	74.1
+S	83.36
+A	87.52
+R	90.97
+R	93.67
+K	94.91
+E	95.51
+F	96.85
+I	97.91
+M	98.05
+A	98.24
+E	98.58
+L	98.63
+I	98.76
+Q	98.76
+T	98.72
+E	98.85
+K	98.82
+A	98.76
+Y	98.86
+V	98.85
+R	98.72
+D	98.74
+L	98.79
+R	98.69
+E	98.63
+C	98.67
+M	98.4
+D	98.31
+T	98.19
+Y	98.46
+L	98.19
+W	97.89
+E	97.6
+M	96.7
+T	95.93
+S	95.86
+G	91.82
+V	91.49
+E	89.02
+E	92.7
+I	96.89
+P	97.48
+P	96.81
+G	96.98
+I	97.85
+V	96.86
+N	94.2
+K	97.94
+E	97.6
+L	97.58
+I	97.91
+I	98.51
+F	98.54
+G	98.19
+N	98.44
+M	98.68
+Q	98.55
+E	98.74
+I	98.85
+Y	98.87
+E	98.78
+F	98.81
+H	98.88
+N	98.71
+N	98.47
+I	98.65
+F	98.66
+L	98.73
+K	98.59
+E	98.42
+L	98.47
+E	98.3
+K	98.07
+Y	96.95
+E	95.73
+Q	94.61
+L	94.9
+P	94.02
+E	93.75
+D	95.94
+V	97.75
+G	97.38
+H	97.55
+C	97.35
+F	98.23
+V	97.77
+T	97.93
+W	97.89
+A	96.16
+D	94.44
+K	97.46
+F	97.18
+Q	92.97
+M	97.32
+Y	97.74
+V	93.72
+T	94.24
+Y	97.41
+C	94.77
+K	90.31
+N	94.72
+K	93.94
+P	92.48
+D	94.32
+S	97.85
+T	96.84
+Q	96.38
+L	97.85
+I	98.03
+L	96.99
+E	96.69
+H	97.76
+A	96.89
+G	96.44
+S	97.16
+Y	98.26
+F	98.31
+D	97.99
+E	97.76
+I	97.82
+Q	98.12
+Q	97.82
+R	96.55
+H	96.16
+G	97.05
+L	97.23
+A	96.68
+N	97.38
+S	98.5
+I	98.51
+S	98.04
+S	98.24
+Y	98.69
+L	98.6
+I	98.22
+K	98.63
+P	98.63
+V	97.4
+Q	98.03
+R	98.67
+I	98.07
+T	96.74
+K	98.3
+Y	98.7
+Q	98.14
+L	98.11
+L	98.22
+L	97.79
+K	96.72
+E	96.18
+L	94.96
+L	93.74
+T	92.87
+C	90.94
+C	87.82
+E	85.87
+E	82.65
+G	76.45
+K	84.44
+G	86.12
+E	95.76
+I	96.51
+K	95.78
+D	96.21
+G	97.5
+L	97.32
+E	96.1
+V	96.41
+M	97.27
+L	95.1
+S	92.87
+V	92.99
+P	90.58
+K	90.28
+R	90.52
+A	89.37
+N	89.75
+D	92.27
+A	90.11
+M	89.86
+H	92.71
+L	93.7
+S	90.59
+M	92.71
+L	95.72
+E	94.87
+G	95.35
+F	95.23
+D	91.04
+E	92.05
+N	89.04
+I	91.26
+E	88.89
+S	93.08
+Q	94.77
+G	92.77
+E	90.39
+L	94.24
+I	93.6
+L	95.91
+Q	97.05
+E	97.44
+S	97.65
+F	98.43
+Q	98.11
+V	97.89
+W	95.94
+D	90.95
+P	87.24
+K	84.19
+T	83.46
+L	80.9
+I	84.23
+R	82.34
+K	91.85
+G	93.48
+R	95.99
+E	97.21
+R	97.98
+H	98.39
+L	98.48
+F	98.29
+L	98.11
+F	97.2
+E	95.69
+M	96.39
+S	97.59
+L	98.12
+V	98.24
+F	98.02
+S	98.27
+K	97.25
+E	96.65
+V	96.04
+K	92.89
+D	84.13
+S	85.26
+S	80.75
+G	83.27
+R	83.4
+S	90.77
+K	94.51
+Y	97.46
+L	97.39
+Y	98.07
+K	96.6
+S	95.41
+K	96.36
+L	95.67
+F	96.25
+T	96.07
+S	94.53
+E	93.66
+L	95.12
+G	95.54
+V	96.7
+T	96.38
+E	96.49
+H	95.07
+V	94.37
+E	92.68
+G	93.15
+D	95.52
+P	96.64
+C	97.68
+K	98.25
+F	98.27
+A	97.3
+L	97.02
+W	95.05
+V	90.38
+G	82.8
+R	79.29
+T	82.17
+P	85.51
+T	86.38
+S	80.81
+D	83.18
+N	85.65
+K	92.38
+I	95.78
+V	96.91
+L	98.18
+K	98.27
+A	98.17
+S	97.16
+S	97.9
+I	97.56
+E	97.07
+N	95.98
+K	98.24
+Q	97.98
+D	96.15
+W	98.07
+I	97.99
+K	97.65
+H	96.9
+I	97.7
+R	97.2
+E	96.34
+V	95.67
+I	94.21
+Q	94.0
+E	90.31
+R	86.05
+T	73.82

atlas_1000_analysis/1nty_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/1nty_A/extract.done

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atlas_1000_analysis/1rl6_A/1rl6_A_R1.tpr

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