NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
468163 | 149d | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_149d save_distance_constraint_statistics_1 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 1 _Distance_constraint_stats_list.Constraint_count 211 _Distance_constraint_stats_list.Viol_count 1011 _Distance_constraint_stats_list.Viol_total 4484.437 _Distance_constraint_stats_list.Viol_max 1.644 _Distance_constraint_stats_list.Viol_rms 0.2380 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1084 _Distance_constraint_stats_list.Viol_average_violations_only 0.3168 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * Administrative tag * 3 * Administrative tag * 4 * ID of the restraint list. * 5 * Number of restraints in list. * 6 * Number of violated restraints (each model violation is used). * 7 * Sum of violations in Angstrom. * 8 * Maximum violation of a restraint without averaging in any way. * 9 * Rms of violations over all restraints. * 10 * Average violation over all restraints. * 11 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998). * 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table. * 13 * This tag Description of the tags in the per residue table below: * 1 * Chain identifier (can be absent if none defined) * 2 * Residue number * 3 * Residue name * 4 * Maximum violation in ensemble of models (without any averaging) * 5 * Model number with the maximum violation * 6 * Number of models with a violation above cutoff * 7 * List of models (1 character per model) with a violation above cutoff. An '*' marks a violation above the cutoff. A '+' indicates the largest violation above the cutoff and a '-' marks the smallest violation over cutoff. For models 5, 15, 25,... a ' ' is replaced by a '.'. For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1. * 8 * Administrative tag * 9 * Administrative tag Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. First node, FIRST member, first atom's: * 2 * Chain identifier (can be absent if none defined) * 3 * Residue number * 4 * Residue name * 5 * Name of (pseudo-)atom First node, SECOND member, first atom's: * 6 * Chain identifier (can be absent if none defined) * 7 * Residue number * 8 * Residue name * 9 * Name of (pseudo-)atom FIRST node's: * 10 * Target distance value (Angstrom) * 11 * Lower bound distance (Angstrom) * 12 * Upper bound distance (Angstrom) * 13 * Average distance in ensemble of models * 14 * Minimum distance in ensemble of models * 15 * Maximum distance in ensemble of models * 16 * Maximum violation (without any averaging) * 17 * Model number with the maximum violation * 18 * Number of models with a violation above cutoff * 19 * List of models with a violation above cutoff. See description above. * 20 * Administrative tag * 21 * Administrative tag ; loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 DC 7.781 0.649 9 10 "[ **-*+*****]" 1 2 DC 14.083 0.649 9 10 "[ **-*+*****]" 1 3 DT 8.881 0.489 2 0 "[ . 1 ]" 1 4 DA 26.273 1.196 14 14 [******-******+] 1 5 DT 34.636 1.196 14 14 [*************+] 1 6 DT 17.176 1.089 12 7 "[ * * **+*-]" 1 7 DC 3.371 0.483 2 0 "[ . 1 ]" 2 1 DG 11.399 0.398 6 0 "[ . 1 ]" 2 2 DA 12.836 0.452 2 0 "[ . 1 ]" 2 3 DA 51.544 1.644 6 14 [*****+******-*] 2 4 DT 64.948 1.644 6 14 [*****+******-*] 2 5 DA 17.195 0.690 6 14 [*****+****-***] 2 6 DG 24.504 0.700 12 14 [**********-+**] 2 7 DG 18.779 0.923 14 14 [**********-**+] 3 1 DC 30.590 1.268 9 14 [********+*****] 3 2 DT 49.125 1.268 9 14 [********+*****] 3 3 DT 47.137 1.133 14 14 [********-****+] 3 4 DG 51.519 1.408 1 14 [+****-********] 3 5 DT 36.348 1.408 1 14 [+****-********] 3 6 DC 10.929 0.752 12 14 [*********-*+**] 3 7 DC 7.668 0.352 1 0 "[ . 1 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 DC Q2' 1 1 DC H3' 2.330 2.130 2.630 2.217 2.186 2.250 . 0 0 "[ . 1 ]" 1 2 1 1 DC H1' 1 1 DC H3' 3.400 3.000 3.900 3.811 3.668 3.934 0.034 6 0 "[ . 1 ]" 1 3 1 1 DC H1' 1 1 DC Q2' 2.220 2.020 2.520 2.171 2.155 2.199 . 0 0 "[ . 1 ]" 1 4 1 1 DC H1' 1 1 DC H6 3.120 2.720 3.620 3.643 3.611 3.672 0.052 5 0 "[ . 1 ]" 1 5 1 1 DC Q2' 1 2 DC H5 3.020 2.620 3.520 2.828 2.766 2.880 . 0 0 "[ . 1 ]" 1 6 1 1 DC Q2' 1 2 DC H6 2.490 2.290 2.790 2.458 2.423 2.477 . 0 0 "[ . 1 ]" 1 7 1 1 DC H3' 1 2 DC H5 4.320 3.720 5.020 5.546 5.348 5.669 0.649 9 10 "[ **-*+*****]" 1 8 1 1 DC H1' 1 2 DC H6 2.980 2.580 3.480 3.141 3.067 3.258 . 0 0 "[ . 1 ]" 1 9 1 1 DC H6 1 2 DC H5 3.760 3.160 4.460 3.820 3.696 4.053 . 0 0 "[ . 1 ]" 1 10 1 2 DC H2'' 1 2 DC H6 3.090 2.690 3.590 3.875 3.858 3.911 0.321 1 0 "[ . 1 ]" 1 11 1 2 DC H1' 1 2 DC H6 3.560 3.160 4.060 3.653 3.609 3.706 . 0 0 "[ . 1 ]" 1 12 1 2 DC H2'' 1 3 DT M7 3.590 3.190 4.390 3.408 3.088 3.640 0.102 4 0 "[ . 1 ]" 1 13 1 2 DC H2'' 1 3 DT H6 2.690 2.490 2.990 2.715 2.658 2.802 . 0 0 "[ . 1 ]" 1 14 1 2 DC H5 1 3 DT M7 3.540 3.140 4.340 3.140 2.651 3.467 0.489 2 0 "[ . 1 ]" 1 15 1 2 DC H6 1 3 DT M7 3.300 2.900 4.100 2.904 2.644 3.213 0.256 13 0 "[ . 1 ]" 1 16 1 3 DT H1' 1 3 DT H3' 3.350 2.950 3.850 3.903 3.859 3.935 0.085 14 0 "[ . 1 ]" 1 17 1 3 DT H1' 1 3 DT H2'' 2.380 2.180 2.680 2.357 2.335 2.410 . 0 0 "[ . 1 ]" 1 18 1 3 DT H2' 1 3 DT H6 2.250 2.050 2.550 2.280 2.214 2.325 . 0 0 "[ . 1 ]" 1 19 1 3 DT H2'' 1 3 DT H6 2.880 2.480 3.380 3.765 3.723 3.793 0.413 5 0 "[ . 1 ]" 1 20 1 3 DT H1' 1 4 DA H8 3.590 3.190 4.090 3.968 3.841 4.100 0.010 3 0 "[ . 1 ]" 1 21 1 3 DT H6 1 4 DA H8 4.180 3.580 4.880 4.409 4.301 4.514 . 0 0 "[ . 1 ]" 1 22 1 3 DT M7 3 3 DT M7 4.600 . 5.500 3.401 3.032 3.783 . 0 0 "[ . 1 ]" 1 23 1 4 DA H1' 1 4 DA H3' 3.760 3.160 4.460 3.890 3.856 3.932 . 0 0 "[ . 1 ]" 1 24 1 4 DA H1' 1 4 DA Q2' 2.270 2.070 2.570 2.214 2.190 2.228 . 0 0 "[ . 1 ]" 1 25 1 4 DA H1' 1 4 DA H2 4.690 4.220 5.160 4.717 4.653 4.786 . 0 0 "[ . 1 ]" 1 26 1 4 DA H1' 1 4 DA H8 3.750 3.150 4.450 3.803 3.753 3.852 . 0 0 "[ . 1 ]" 1 27 1 4 DA H4' 1 4 DA H8 4.520 3.920 5.220 4.628 4.565 4.705 . 0 0 "[ . 1 ]" 1 28 1 4 DA Q2' 1 5 DT M7 3.560 3.160 4.320 2.086 1.964 2.249 1.196 14 14 [******-******+] 1 29 1 4 DA Q2' 1 5 DT H6 2.690 2.490 2.890 2.393 2.373 2.406 0.117 11 0 "[ . 1 ]" 1 30 1 4 DA H3' 1 5 DT H6 3.580 3.180 4.080 4.483 4.347 4.542 0.462 13 0 "[ . 1 ]" 1 31 1 4 DA H3' 1 5 DT M7 3.540 3.140 4.340 3.558 3.341 3.670 . 0 0 "[ . 1 ]" 1 32 1 4 DA H1' 1 5 DT H6 4.020 3.420 4.720 4.586 4.515 4.651 . 0 0 "[ . 1 ]" 1 33 1 4 DA H1' 1 5 DT M7 4.260 3.660 5.260 4.455 4.308 4.640 . 0 0 "[ . 1 ]" 1 34 1 4 DA H2 1 5 DT H1' 3.860 3.470 4.250 4.147 4.049 4.269 0.019 4 0 "[ . 1 ]" 1 35 1 4 DA H8 1 5 DT H6 4.600 4.000 5.300 5.476 5.328 5.587 0.287 5 0 "[ . 1 ]" 1 36 1 4 DA H8 1 5 DT M7 3.540 3.140 4.340 3.095 2.947 3.274 0.193 10 0 "[ . 1 ]" 1 37 1 4 DA H2 2 3 DA H2 4.150 3.730 4.570 4.578 4.371 4.802 0.232 11 0 "[ . 1 ]" 1 38 1 4 DA H1' 2 5 DA H2 3.550 3.190 3.910 3.597 3.527 3.685 . 0 0 "[ . 1 ]" 1 39 1 4 DA H2 2 5 DA H2 4.250 3.820 4.680 4.234 4.130 4.398 . 0 0 "[ . 1 ]" 1 40 1 4 DA H2 2 5 DA H1' 3.390 3.050 3.730 3.541 3.454 3.633 . 0 0 "[ . 1 ]" 1 41 1 5 DT H1' 1 5 DT H2'' 2.260 2.060 2.560 2.279 2.264 2.298 . 0 0 "[ . 1 ]" 1 42 1 5 DT H3' 1 5 DT H6 3.100 2.700 3.600 3.398 3.325 3.478 . 0 0 "[ . 1 ]" 1 43 1 5 DT H1' 1 5 DT H6 3.540 3.140 4.040 3.692 3.651 3.721 . 0 0 "[ . 1 ]" 1 44 1 5 DT H2'' 1 5 DT H6 2.940 2.540 3.640 3.874 3.844 3.897 0.257 5 0 "[ . 1 ]" 1 45 1 5 DT H4' 1 5 DT H6 3.740 3.140 4.440 4.338 4.298 4.439 . 0 0 "[ . 1 ]" 1 46 1 5 DT H2' 1 5 DT H6 2.350 2.150 2.650 2.396 2.369 2.426 . 0 0 "[ . 1 ]" 1 47 1 5 DT H2'' 1 6 DT M7 3.140 2.740 3.940 3.292 2.991 3.511 . 0 0 "[ . 1 ]" 1 48 1 5 DT H1' 1 6 DT H6 3.550 3.150 4.050 4.428 4.315 4.585 0.535 14 1 "[ . 1 +]" 1 49 1 5 DT H1' 1 6 DT M7 4.330 3.730 5.330 4.394 4.166 4.559 . 0 0 "[ . 1 ]" 1 50 1 5 DT H6 1 6 DT M7 3.130 2.730 3.930 2.756 2.458 2.891 0.272 10 0 "[ . 1 ]" 1 51 1 6 DT H3' 1 6 DT M7 3.440 3.040 4.240 4.811 4.461 5.329 1.089 12 7 "[ * * *-+**]" 1 52 1 6 DT M7 1 7 DC H5 3.830 3.230 4.830 3.432 3.248 3.741 . 0 0 "[ . 1 ]" 1 53 1 6 DT H2'' 1 7 DC H5 3.170 2.770 3.670 3.911 3.671 4.153 0.483 2 0 "[ . 1 ]" 1 54 1 6 DT H6 1 7 DC H5 3.520 3.120 4.020 3.713 3.563 3.834 . 0 0 "[ . 1 ]" 1 55 2 1 DG H2'' 2 1 DG H3' 2.410 2.210 2.710 2.775 2.711 2.807 0.097 4 0 "[ . 1 ]" 1 56 2 1 DG H1' 2 1 DG H2'' 2.480 2.280 2.780 2.429 2.386 2.465 . 0 0 "[ . 1 ]" 1 57 2 1 DG H1' 2 1 DG H2' 2.530 2.330 2.830 2.935 2.912 2.958 0.128 5 0 "[ . 1 ]" 1 58 2 1 DG H1' 2 1 DG H3' 3.470 3.070 3.970 3.880 3.813 3.936 . 0 0 "[ . 1 ]" 1 59 2 1 DG H2' 2 1 DG H8 2.380 2.180 2.680 2.498 2.457 2.529 . 0 0 "[ . 1 ]" 1 60 2 1 DG H3' 2 1 DG H8 3.480 3.080 3.980 4.022 3.903 4.157 0.177 13 0 "[ . 1 ]" 1 61 2 1 DG H2'' 2 1 DG H8 3.200 2.800 3.700 4.002 3.953 4.031 0.331 1 0 "[ . 1 ]" 1 62 2 1 DG H2' 2 2 DA H8 2.700 2.300 3.200 2.799 2.758 2.858 . 0 0 "[ . 1 ]" 1 63 2 1 DG H2'' 2 2 DA H8 2.800 2.400 3.300 2.936 2.881 3.010 . 0 0 "[ . 1 ]" 1 64 2 1 DG H3' 2 2 DA H8 3.740 3.140 4.440 4.727 4.568 4.838 0.398 6 0 "[ . 1 ]" 1 65 2 1 DG H8 3 2 DT H1' 4.790 4.190 5.490 4.770 4.495 5.115 . 0 0 "[ . 1 ]" 1 66 2 2 DA H2' 2 2 DA H3' 2.270 2.070 2.570 2.354 2.322 2.403 . 0 0 "[ . 1 ]" 1 67 2 2 DA H3' 2 2 DA H4' 2.360 2.160 2.660 2.636 2.608 2.657 . 0 0 "[ . 1 ]" 1 68 2 2 DA H2'' 2 2 DA H3' 2.620 2.420 2.920 2.877 2.807 2.915 . 0 0 "[ . 1 ]" 1 69 2 2 DA H1' 2 2 DA H3' 3.620 3.020 4.320 3.879 3.847 3.925 . 0 0 "[ . 1 ]" 1 70 2 2 DA H1' 2 2 DA H2'' 2.390 2.190 2.690 2.493 2.429 2.538 . 0 0 "[ . 1 ]" 1 71 2 2 DA H3' 2 2 DA H8 3.800 3.200 4.500 4.442 4.318 4.603 0.103 3 0 "[ . 1 ]" 1 72 2 2 DA H2' 2 2 DA H8 2.480 2.280 2.700 2.633 2.601 2.673 . 0 0 "[ . 1 ]" 1 73 2 2 DA H2'' 2 2 DA H8 3.260 2.860 3.760 4.016 3.966 4.069 0.309 13 0 "[ . 1 ]" 1 74 2 2 DA H2' 2 3 DA H8 2.900 2.500 3.400 3.042 2.988 3.143 . 0 0 "[ . 1 ]" 1 75 2 2 DA H2'' 2 3 DA H8 2.470 2.270 2.770 2.560 2.501 2.621 . 0 0 "[ . 1 ]" 1 76 2 2 DA H3' 2 3 DA H8 3.800 3.200 4.500 4.836 4.639 4.952 0.452 2 0 "[ . 1 ]" 1 77 2 2 DA H2 2 3 DA H2 3.860 3.470 4.250 4.103 4.006 4.195 . 0 0 "[ . 1 ]" 1 78 2 2 DA H8 2 3 DA H8 3.910 3.310 4.610 4.560 4.295 4.727 0.117 11 0 "[ . 1 ]" 1 79 2 3 DA Q2' 2 3 DA H3' 2.290 2.200 2.590 2.170 2.143 2.197 0.057 4 0 "[ . 1 ]" 1 80 2 3 DA H1' 2 3 DA H3' 3.430 3.030 3.930 3.818 3.776 3.855 . 0 0 "[ . 1 ]" 1 81 2 3 DA Q2' 2 3 DA H8 2.540 2.360 2.840 2.449 2.428 2.472 . 0 0 "[ . 1 ]" 1 82 2 3 DA H3' 2 3 DA H8 3.760 3.160 4.460 4.028 3.909 4.201 . 0 0 "[ . 1 ]" 1 83 2 3 DA Q2' 2 4 DT M7 4.230 3.630 5.230 2.126 1.986 2.419 1.644 6 14 [*****+***-****] 1 84 2 3 DA Q2' 2 4 DT H6 2.590 2.390 2.890 2.441 2.402 2.462 . 0 0 "[ . 1 ]" 1 85 2 3 DA H4' 2 4 DT H6 4.560 3.960 5.260 5.545 5.311 5.779 0.519 11 1 "[ . 1+ ]" 1 86 2 3 DA H3' 2 4 DT M7 4.750 4.150 5.750 4.099 3.915 4.420 0.235 4 0 "[ . 1 ]" 1 87 2 3 DA H3' 2 4 DT H6 3.830 3.230 4.530 5.096 5.005 5.202 0.672 5 13 "[****+***** *-*]" 1 88 2 3 DA H1' 2 4 DT H6 4.270 3.670 4.970 4.281 4.163 4.471 . 0 0 "[ . 1 ]" 1 89 2 3 DA H8 2 4 DT H6 4.450 3.850 5.150 5.502 5.208 5.740 0.590 8 2 "[ . -+ 1 ]" 1 90 2 3 DA H8 2 4 DT M7 3.450 3.050 4.250 2.915 2.662 3.343 0.388 1 0 "[ . 1 ]" 1 91 2 3 DA H2 2 4 DT H1' 4.060 3.650 4.470 4.747 4.511 5.111 0.641 8 1 "[ . + 1 ]" 1 92 2 3 DA H8 3 4 DG H1' 4.480 3.880 5.180 4.338 4.214 4.543 . 0 0 "[ . 1 ]" 1 93 2 4 DT H2' 2 4 DT H3' 2.330 2.130 2.630 2.381 2.346 2.427 . 0 0 "[ . 1 ]" 1 94 2 4 DT H1' 2 4 DT H3' 3.450 3.050 3.950 3.957 3.920 3.999 0.049 4 0 "[ . 1 ]" 1 95 2 4 DT H3' 2 4 DT H6 3.430 3.030 3.930 3.610 3.550 3.666 . 0 0 "[ . 1 ]" 1 96 2 4 DT H4' 2 4 DT H6 3.550 3.150 4.050 4.189 4.115 4.282 0.232 13 0 "[ . 1 ]" 1 97 2 4 DT H2'' 2 4 DT H6 2.750 2.150 3.450 3.699 3.656 3.726 0.276 1 0 "[ . 1 ]" 1 98 2 4 DT H1' 2 4 DT H6 3.580 3.180 4.080 3.604 3.570 3.639 . 0 0 "[ . 1 ]" 1 99 2 4 DT M7 3 4 DG H1' 2.950 2.550 3.450 2.849 2.571 3.207 . 0 0 "[ . 1 ]" 1 100 2 4 DT M7 3 4 DG Q2' 4.670 4.450 5.370 3.512 3.290 3.771 1.160 13 14 [**-*********+*] 1 101 2 4 DT M7 3 5 DT H6 4.630 4.030 5.330 4.002 3.814 4.153 0.216 13 0 "[ . 1 ]" 1 102 2 4 DT H6 3 5 DT H1' 4.380 3.780 5.080 4.907 4.548 5.046 . 0 0 "[ . 1 ]" 1 103 2 4 DT M7 3 5 DT M7 4.600 . 5.500 3.809 3.563 3.944 . 0 0 "[ . 1 ]" 1 104 2 5 DA H2'' 2 5 DA H4' 4.220 3.620 4.920 3.769 3.748 3.799 . 0 0 "[ . 1 ]" 1 105 2 5 DA H2' 2 5 DA H4' 3.920 3.320 4.620 4.071 4.056 4.090 . 0 0 "[ . 1 ]" 1 106 2 5 DA H1' 2 5 DA H2'' 2.470 2.270 2.770 2.436 2.414 2.457 . 0 0 "[ . 1 ]" 1 107 2 5 DA H1' 2 5 DA H4' 2.810 2.410 3.310 2.950 2.899 3.007 . 0 0 "[ . 1 ]" 1 108 2 5 DA H1' 2 5 DA H2 4.690 4.220 5.160 4.556 4.428 4.652 . 0 0 "[ . 1 ]" 1 109 2 5 DA H2'' 2 5 DA H8 3.300 2.900 3.800 4.285 4.235 4.323 0.523 12 3 "[ . *1-+ ]" 1 110 2 5 DA H1' 2 5 DA H8 3.520 3.120 4.020 3.738 3.691 3.787 . 0 0 "[ . 1 ]" 1 111 2 5 DA H2' 2 6 DG H8 2.370 2.170 2.670 2.572 2.538 2.607 . 0 0 "[ . 1 ]" 1 112 2 5 DA H2'' 2 6 DG H8 2.730 2.330 3.230 2.763 2.708 2.820 . 0 0 "[ . 1 ]" 1 113 2 5 DA H3' 2 6 DG H8 3.480 3.080 3.980 4.582 4.503 4.670 0.690 6 14 [*****+**-*****] 1 114 2 5 DA H1' 2 6 DG H8 3.730 3.130 4.430 4.571 4.461 4.656 0.226 14 0 "[ . 1 ]" 1 115 2 5 DA H2 2 6 DG H1' 4.270 3.840 4.700 4.141 4.000 4.506 . 0 0 "[ . 1 ]" 1 116 2 6 DG Q2' 2 6 DG H3' 2.490 2.290 2.700 2.180 2.133 2.223 0.157 8 0 "[ . 1 ]" 1 117 2 6 DG H1' 2 6 DG H4' 2.710 2.310 3.210 2.802 2.780 2.831 . 0 0 "[ . 1 ]" 1 118 2 6 DG H1' 2 6 DG Q2' 2.470 2.270 2.770 2.366 2.351 2.388 . 0 0 "[ . 1 ]" 1 119 2 6 DG H1' 2 6 DG H3' 3.480 3.080 3.980 3.929 3.882 3.970 . 0 0 "[ . 1 ]" 1 120 2 6 DG H3' 2 6 DG H8 3.550 3.150 4.050 3.922 3.716 4.074 0.024 2 0 "[ . 1 ]" 1 121 2 6 DG H4' 2 6 DG H8 4.020 3.420 4.720 4.763 4.663 4.809 0.089 5 0 "[ . 1 ]" 1 122 2 6 DG Q2' 2 6 DG H8 . 2.530 2.690 2.457 2.418 2.492 0.112 14 0 "[ . 1 ]" 1 123 2 6 DG H1' 2 6 DG H8 3.630 3.030 4.330 3.827 3.783 3.871 . 0 0 "[ . 1 ]" 1 124 2 6 DG Q2' 2 7 DG H8 2.330 2.130 2.630 2.174 2.148 2.206 . 0 0 "[ . 1 ]" 1 125 2 6 DG H3' 2 7 DG H8 3.360 2.960 3.860 4.297 4.002 4.560 0.700 12 7 "[ . ***-+**]" 1 126 2 6 DG H1' 2 7 DG H8 3.470 3.070 3.970 4.305 3.970 4.578 0.608 1 7 "[+****-* 1 ]" 1 127 2 6 DG H8 3 7 DC H1' 4.380 3.780 5.080 4.858 4.628 5.059 . 0 0 "[ . 1 ]" 1 128 2 7 DG Q2' 2 7 DG H3' 2.540 2.340 2.700 2.208 2.152 2.265 0.188 10 0 "[ . 1 ]" 1 129 2 7 DG H1' 2 7 DG H3' 3.270 2.870 3.770 3.841 3.687 3.890 0.120 9 0 "[ . 1 ]" 1 130 2 7 DG H1' 2 7 DG Q2' 2.530 2.330 2.830 2.222 2.156 2.263 0.174 10 0 "[ . 1 ]" 1 131 2 7 DG H3' 2 7 DG H8 3.130 2.730 3.630 3.847 3.336 4.553 0.923 14 2 "[ - . 1 +]" 1 132 3 1 DC H1' 3 1 DC Q2' 2.300 2.100 2.600 2.235 2.200 2.263 . 0 0 "[ . 1 ]" 1 133 3 1 DC H4' 3 1 DC H6 3.780 3.180 4.480 4.371 4.259 4.510 0.030 7 0 "[ . 1 ]" 1 134 3 1 DC Q2' 3 1 DC H6 . 2.650 2.660 2.396 2.347 2.438 0.303 8 0 "[ . 1 ]" 1 135 3 1 DC H1' 3 1 DC H6 3.580 3.180 4.080 3.715 3.682 3.747 . 0 0 "[ . 1 ]" 1 136 3 1 DC H3' 3 1 DC H6 3.360 2.960 3.860 3.889 3.510 4.117 0.257 13 0 "[ . 1 ]" 1 137 3 1 DC Q2' 3 2 DT M7 3.840 3.240 3.900 2.090 1.972 2.306 1.268 9 14 [*-******+*****] 1 138 3 1 DC Q2' 3 2 DT H6 2.770 2.370 3.270 2.592 2.533 2.639 . 0 0 "[ . 1 ]" 1 139 3 1 DC H3' 3 2 DT H6 3.860 3.260 4.560 5.034 4.624 5.277 0.717 7 9 "[ .*+*-*****]" 1 140 3 1 DC H1' 3 2 DT H6 3.530 3.130 4.030 4.167 3.619 4.654 0.624 1 2 "[+- . 1 ]" 1 141 3 1 DC H6 3 2 DT M7 3.540 3.140 4.340 3.440 3.089 3.828 0.051 10 0 "[ . 1 ]" 1 142 3 2 DT Q2' 3 2 DT H3' 2.220 2.020 2.520 2.159 2.125 2.186 . 0 0 "[ . 1 ]" 1 143 3 2 DT H1' 3 2 DT H3' 3.400 3.000 3.900 3.842 3.797 3.893 . 0 0 "[ . 1 ]" 1 144 3 2 DT H1' 3 2 DT Q2' . 2.490 2.540 2.226 2.194 2.244 0.296 3 0 "[ . 1 ]" 1 145 3 2 DT H4' 3 2 DT H6 3.680 3.080 4.380 4.376 4.294 4.448 0.068 6 0 "[ . 1 ]" 1 146 3 2 DT H1' 3 2 DT H6 3.860 3.260 4.560 3.668 3.642 3.697 . 0 0 "[ . 1 ]" 1 147 3 2 DT Q2' 3 2 DT H6 2.200 . 2.500 2.158 2.136 2.192 . 0 0 "[ . 1 ]" 1 148 3 2 DT Q2' 3 3 DT M7 3.570 3.170 4.370 2.209 2.037 2.399 1.133 14 14 [***********-*+] 1 149 3 2 DT Q2' 3 3 DT H6 3.180 2.780 3.210 2.739 2.690 2.807 0.090 4 0 "[ . 1 ]" 1 150 3 2 DT H3' 3 3 DT M7 3.920 3.320 4.920 4.151 3.953 4.489 . 0 0 "[ . 1 ]" 1 151 3 2 DT H3' 3 3 DT H6 4.220 3.620 4.920 5.173 4.984 5.304 0.384 12 0 "[ . 1 ]" 1 152 3 2 DT H1' 3 3 DT M7 4.580 3.980 5.580 4.109 3.890 4.288 0.090 3 0 "[ . 1 ]" 1 153 3 2 DT H1' 3 3 DT H6 3.990 3.390 4.690 4.573 4.407 4.722 0.032 6 0 "[ . 1 ]" 1 154 3 2 DT H6 3 3 DT H6 4.600 4.000 5.300 5.359 5.219 5.526 0.226 10 0 "[ . 1 ]" 1 155 3 2 DT H6 3 3 DT M7 3.450 3.050 4.250 3.034 2.738 3.324 0.312 8 0 "[ . 1 ]" 1 156 3 3 DT H3' 3 3 DT M7 4.040 3.440 5.040 5.897 5.764 6.016 0.976 6 14 [*****+****-***] 1 157 3 3 DT H2' 3 3 DT H3' 2.370 2.170 2.670 2.439 2.391 2.475 . 0 0 "[ . 1 ]" 1 158 3 3 DT H1' 3 3 DT H2'' 2.280 2.080 2.580 2.441 2.410 2.471 . 0 0 "[ . 1 ]" 1 159 3 3 DT H1' 3 3 DT H2' 2.970 2.570 3.470 3.095 3.070 3.117 . 0 0 "[ . 1 ]" 1 160 3 3 DT H1' 3 3 DT H6 3.350 3.070 3.850 3.763 3.719 3.821 . 0 0 "[ . 1 ]" 1 161 3 3 DT H2' 3 3 DT H6 2.220 2.020 2.520 2.152 2.108 2.183 . 0 0 "[ . 1 ]" 1 162 3 3 DT H2'' 3 3 DT H6 2.800 2.400 3.300 3.470 3.377 3.552 0.252 9 0 "[ . 1 ]" 1 163 3 3 DT H4' 3 3 DT H6 4.060 3.460 4.760 4.947 4.798 5.049 0.289 12 0 "[ . 1 ]" 1 164 3 3 DT H2' 3 4 DG H8 3.880 3.280 4.580 4.590 4.485 4.717 0.137 6 0 "[ . 1 ]" 1 165 3 3 DT H2'' 3 4 DG H8 2.900 2.500 3.400 2.917 2.859 2.985 . 0 0 "[ . 1 ]" 1 166 3 3 DT H3' 3 4 DG H8 4.260 3.660 4.960 5.319 5.229 5.421 0.461 7 0 "[ . 1 ]" 1 167 3 3 DT H1' 3 4 DG H8 3.450 3.050 3.950 3.855 3.706 3.941 . 0 0 "[ . 1 ]" 1 168 3 3 DT H6 3 4 DG H8 4.650 4.050 5.350 5.714 5.480 5.901 0.551 9 1 "[ . +1 ]" 1 169 3 4 DG H3' 3 4 DG H5'' 2.710 2.310 3.210 2.891 2.853 2.919 . 0 0 "[ . 1 ]" 1 170 3 4 DG H3' 3 4 DG H5' 3.580 3.180 4.080 3.742 3.691 3.803 . 0 0 "[ . 1 ]" 1 171 3 4 DG H3' 3 4 DG H4' 2.650 2.450 2.950 2.918 2.876 2.938 . 0 0 "[ . 1 ]" 1 172 3 4 DG Q2' 3 4 DG H3' 2.570 2.370 2.870 2.450 2.430 2.473 . 0 0 "[ . 1 ]" 1 173 3 4 DG H1' 3 4 DG H4' 3.010 2.610 3.510 3.300 3.237 3.335 . 0 0 "[ . 1 ]" 1 174 3 4 DG H1' 3 4 DG Q2' 2.420 2.370 2.720 2.283 2.270 2.299 0.100 3 0 "[ . 1 ]" 1 175 3 4 DG H1' 3 4 DG H3' 3.920 3.320 4.620 4.062 4.017 4.095 . 0 0 "[ . 1 ]" 1 176 3 4 DG H4' 3 4 DG H8 3.830 3.230 4.530 4.175 4.051 4.227 . 0 0 "[ . 1 ]" 1 177 3 4 DG H1' 3 4 DG H8 3.910 3.310 4.610 3.865 3.799 3.922 . 0 0 "[ . 1 ]" 1 178 3 4 DG H3' 3 4 DG H8 2.160 . 2.460 2.257 2.216 2.289 . 0 0 "[ . 1 ]" 1 179 3 4 DG Q2' 3 4 DG H8 . 3.080 3.380 2.935 2.890 2.970 0.190 14 0 "[ . 1 ]" 1 180 3 4 DG Q2' 3 5 DT M7 . 3.400 4.170 2.282 1.992 2.520 1.408 1 14 [+***-*********] 1 181 3 4 DG Q2' 3 5 DT H6 2.950 2.550 3.450 2.434 2.402 2.488 0.148 9 0 "[ . 1 ]" 1 182 3 4 DG H1' 3 5 DT M7 3.830 3.230 4.830 3.746 3.548 3.939 . 0 0 "[ . 1 ]" 1 183 3 4 DG H8 3 5 DT M7 4.440 3.840 5.440 3.327 3.177 3.499 0.663 8 8 "[ .- +******]" 1 184 3 4 DG H8 3 5 DT H6 4.650 4.050 5.350 5.116 4.936 5.442 0.092 1 0 "[ . 1 ]" 1 185 3 5 DT H2' 3 5 DT H3' 2.200 . 2.500 2.249 2.204 2.301 . 0 0 "[ . 1 ]" 1 186 3 5 DT H1' 3 5 DT H3' 3.440 3.040 3.940 3.775 3.710 3.819 . 0 0 "[ . 1 ]" 1 187 3 5 DT H1' 3 5 DT H2'' 2.340 2.140 2.640 2.407 2.371 2.471 . 0 0 "[ . 1 ]" 1 188 3 5 DT H1' 3 5 DT H2' 2.660 2.460 2.960 3.033 2.985 3.051 0.091 12 0 "[ . 1 ]" 1 189 3 5 DT H1' 3 5 DT H6 3.710 3.110 4.410 3.744 3.718 3.767 . 0 0 "[ . 1 ]" 1 190 3 5 DT H6 3 6 DC H5 3.950 3.350 4.650 4.040 3.930 4.187 . 0 0 "[ . 1 ]" 1 191 3 5 DT M7 3 6 DC H5 4.050 3.450 5.050 3.893 3.643 4.102 . 0 0 "[ . 1 ]" 1 192 3 5 DT H2'' 3 6 DC H5 2.840 2.440 3.340 3.127 3.041 3.199 . 0 0 "[ . 1 ]" 1 193 3 5 DT H3' 3 6 DC H6 3.800 3.200 4.500 5.210 5.158 5.252 0.752 12 14 [*********-*+**] 1 194 3 5 DT H1' 3 6 DC H6 3.240 2.840 3.740 3.446 3.391 3.512 . 0 0 "[ . 1 ]" 1 195 3 6 DC H1' 3 6 DC H2' 2.720 2.320 3.220 3.017 2.974 3.043 . 0 0 "[ . 1 ]" 1 196 3 6 DC H3' 3 6 DC H6 3.340 2.940 3.840 3.404 3.269 3.578 . 0 0 "[ . 1 ]" 1 197 3 6 DC H2' 3 6 DC H6 2.460 2.260 2.760 2.594 2.561 2.623 . 0 0 "[ . 1 ]" 1 198 3 6 DC H2' 3 7 DC H5 2.800 2.400 3.300 2.879 2.743 2.996 . 0 0 "[ . 1 ]" 1 199 3 6 DC H2' 3 7 DC H6 2.580 2.380 2.880 2.823 2.767 2.908 0.028 1 0 "[ . 1 ]" 1 200 3 6 DC H2'' 3 7 DC H6 2.640 2.440 2.940 2.750 2.636 3.015 0.075 7 0 "[ . 1 ]" 1 201 3 6 DC H3' 3 7 DC H6 3.710 3.110 4.410 4.452 4.297 4.585 0.175 1 0 "[ . 1 ]" 1 202 3 7 DC H2' 3 7 DC H3' 2.440 2.240 2.740 2.509 2.473 2.542 . 0 0 "[ . 1 ]" 1 203 3 7 DC H2'' 3 7 DC H3' 2.750 2.350 3.250 2.996 2.930 3.041 . 0 0 "[ . 1 ]" 1 204 3 7 DC H1' 3 7 DC H2' 2.760 2.360 3.260 3.022 3.004 3.041 . 0 0 "[ . 1 ]" 1 205 3 7 DC H1' 3 7 DC H2'' 2.330 2.130 2.630 2.398 2.369 2.423 . 0 0 "[ . 1 ]" 1 206 3 7 DC H1' 3 7 DC H3' 3.620 3.020 4.320 4.157 4.093 4.219 . 0 0 "[ . 1 ]" 1 207 3 7 DC H1' 3 7 DC H6 3.820 3.220 4.520 3.685 3.571 3.795 . 0 0 "[ . 1 ]" 1 208 3 7 DC H4' 3 7 DC H6 3.190 2.590 3.890 3.969 3.783 4.178 0.288 6 0 "[ . 1 ]" 1 209 3 7 DC H2'' 3 7 DC H6 3.090 2.690 3.590 3.891 3.837 3.942 0.352 1 0 "[ . 1 ]" 1 210 3 7 DC H3' 3 7 DC H6 3.050 2.650 3.550 3.378 3.040 3.842 0.292 5 0 "[ . 1 ]" 1 211 3 7 DC H2' 3 7 DC H6 2.320 2.120 2.620 2.417 2.356 2.479 . 0 0 "[ . 1 ]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 85 _Distance_constraint_stats_list.Viol_count 443 _Distance_constraint_stats_list.Viol_total 1143.164 _Distance_constraint_stats_list.Viol_max 1.242 _Distance_constraint_stats_list.Viol_rms 0.1787 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0686 _Distance_constraint_stats_list.Viol_average_violations_only 0.1843 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 DC 2.399 0.198 9 0 "[ . 1 ]" 1 2 DC 5.911 0.458 2 0 "[ . 1 ]" 1 3 DT 4.565 0.349 1 0 "[ . 1 ]" 1 4 DA 7.468 0.419 7 0 "[ . 1 ]" 1 5 DT 9.787 0.624 7 1 "[ . + 1 ]" 1 6 DT 1.276 0.118 2 0 "[ . 1 ]" 1 7 DC 0.344 0.075 9 0 "[ . 1 ]" 2 1 DG 1.671 0.142 3 0 "[ . 1 ]" 2 2 DA 0.853 0.099 9 0 "[ . 1 ]" 2 3 DA 5.886 0.624 7 1 "[ . + 1 ]" 2 4 DT 20.735 0.990 6 13 "[*****+****-** ]" 2 5 DA 14.019 0.520 1 4 "[+** . - 1 ]" 2 6 DG 6.867 0.458 2 0 "[ . 1 ]" 2 7 DG 3.522 0.198 9 0 "[ . 1 ]" 3 1 DC 0.510 0.142 3 0 "[ . 1 ]" 3 2 DT 2.976 0.490 9 0 "[ . 1 ]" 3 3 DT 7.145 0.548 2 1 "[ + . 1 ]" 3 4 DG 31.267 1.242 14 14 [******-******+] 3 5 DT 33.684 1.242 14 14 [**********-**+] 3 6 DC 0.734 0.065 1 0 "[ . 1 ]" 3 7 DC 0.070 0.035 8 0 "[ . 1 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 DC Q4 2 6 DG H1 3.970 3.190 4.750 4.388 4.141 4.607 . 0 0 "[ . 1 ]" 2 2 1 1 DC H1' 2 7 DG H1 4.290 3.650 4.720 4.722 4.575 4.780 0.060 7 0 "[ . 1 ]" 2 3 1 1 DC Q4 2 7 DG H1 3.580 2.860 3.850 2.714 2.662 2.750 0.198 9 0 "[ . 1 ]" 2 4 1 2 DC Q4 1 3 DT H3 4.640 3.880 5.560 4.230 3.950 4.348 . 0 0 "[ . 1 ]" 2 5 1 2 DC Q4 2 6 DG H1 3.530 2.830 3.720 2.442 2.372 2.531 0.458 2 0 "[ . 1 ]" 2 6 1 2 DC H5 2 7 DG H1 5.500 4.000 5.600 5.439 5.214 5.626 0.026 2 0 "[ . 1 ]" 2 7 1 2 DC H1' 2 7 DG H1 5.500 4.000 5.600 5.625 5.541 5.668 0.068 14 0 "[ . 1 ]" 2 8 1 2 DC Q4 2 7 DG H1 3.960 3.180 4.740 3.578 3.419 3.758 . 0 0 "[ . 1 ]" 2 9 1 3 DT H3 1 4 DA H2 5.410 4.870 5.600 5.568 5.350 5.650 0.050 4 0 "[ . 1 ]" 2 10 1 3 DT H3 1 4 DA Q6 4.620 3.700 5.540 4.149 3.819 4.415 . 0 0 "[ . 1 ]" 2 11 1 3 DT H3 2 5 DA H2 3.030 2.730 3.330 2.694 2.628 2.723 0.102 3 0 "[ . 1 ]" 2 12 1 3 DT H3 2 5 DA Q6 3.360 2.680 3.730 2.403 2.331 2.456 0.349 1 0 "[ . 1 ]" 2 13 1 3 DT H3 2 6 DG H1 3.710 3.340 4.080 3.507 3.332 3.652 0.008 4 0 "[ . 1 ]" 2 14 1 4 DA H2 1 5 DT H3 4.250 3.820 4.680 4.178 3.959 4.346 . 0 0 "[ . 1 ]" 2 15 1 4 DA Q6 1 5 DT H3 5.180 4.140 5.600 3.909 3.721 4.192 0.419 7 0 "[ . 1 ]" 2 16 1 4 DA Q6 2 4 DT H3 3.380 2.700 3.740 2.460 2.418 2.484 0.282 14 0 "[ . 1 ]" 2 17 1 4 DA H2 2 4 DT H3 3.000 2.700 3.300 2.701 2.661 2.748 0.039 6 0 "[ . 1 ]" 2 18 1 4 DA Q6 3 3 DT H3 4.290 3.430 5.150 4.330 4.000 4.601 . 0 0 "[ . 1 ]" 2 19 1 4 DA Q6 3 4 DG H1 . 3.520 4.280 3.587 3.280 3.782 0.240 10 0 "[ . 1 ]" 2 20 1 5 DT H3 1 6 DT M7 5.500 4.500 5.900 4.589 4.382 4.791 0.118 2 0 "[ . 1 ]" 2 21 1 5 DT H3 1 6 DT H3 3.780 3.400 4.160 3.593 3.362 3.857 0.038 9 0 "[ . 1 ]" 2 22 1 5 DT H3 2 2 DA H61 4.110 3.290 4.930 3.416 3.252 3.580 0.038 14 0 "[ . 1 ]" 2 23 1 5 DT H3 2 2 DA H62 4.460 3.560 5.360 4.032 3.756 4.216 . 0 0 "[ . 1 ]" 2 24 1 5 DT H3 2 3 DA H2 2.900 2.610 3.190 2.657 2.599 2.853 0.011 8 0 "[ . 1 ]" 2 25 1 5 DT H3 2 3 DA Q6 3.380 2.700 4.060 2.306 2.076 2.400 0.624 7 1 "[ . + 1 ]" 2 26 1 5 DT H3 2 4 DT H3 4.530 4.080 4.980 4.040 3.986 4.109 0.094 14 0 "[ . 1 ]" 2 27 1 6 DT H3 1 7 DC H41 4.600 3.680 5.520 3.756 3.605 3.856 0.075 9 0 "[ . 1 ]" 2 28 1 6 DT H3 1 7 DC H42 5.500 4.500 5.600 4.545 4.435 4.750 0.065 9 0 "[ . 1 ]" 2 29 1 6 DT H3 2 1 DG H1 4.690 3.980 4.690 4.123 3.934 4.377 0.046 4 0 "[ . 1 ]" 2 30 1 6 DT H3 2 2 DA H61 3.190 2.550 3.830 2.514 2.451 2.571 0.099 9 0 "[ . 1 ]" 2 31 1 6 DT H3 2 2 DA H2 2.860 2.570 3.150 2.624 2.547 2.754 0.023 11 0 "[ . 1 ]" 2 32 1 6 DT H3 2 2 DA H62 3.450 2.750 4.150 4.012 3.966 4.119 . 0 0 "[ . 1 ]" 2 33 1 6 DT H3 2 3 DA H2 3.530 3.180 3.880 3.737 3.435 3.928 0.048 9 0 "[ . 1 ]" 2 34 1 7 DC H1' 2 1 DG H1 4.420 3.760 4.860 4.805 4.631 4.892 0.032 10 0 "[ . 1 ]" 2 35 1 7 DC H42 2 1 DG H1 3.590 2.870 4.310 4.257 4.105 4.343 0.033 12 0 "[ . 1 ]" 2 36 1 7 DC H41 2 1 DG H1 3.280 2.620 3.940 2.724 2.620 2.805 . 0 0 "[ . 1 ]" 2 37 2 1 DG H1 2 2 DA H2 3.680 3.130 4.050 3.877 3.571 4.070 0.020 10 0 "[ . 1 ]" 2 38 2 1 DG H1 3 1 DC Q4 5.500 4.000 5.600 3.967 3.858 4.030 0.142 3 0 "[ . 1 ]" 2 39 2 1 DG H2' 3 2 DT H3 5.090 4.580 5.600 4.515 4.481 4.541 0.099 1 0 "[ . 1 ]" 2 40 2 1 DG H2'' 3 2 DT H3 5.180 4.660 5.600 5.518 5.441 5.608 0.008 2 0 "[ . 1 ]" 2 41 2 1 DG H8 3 2 DT H3 3.960 3.560 4.360 3.894 3.709 4.155 . 0 0 "[ . 1 ]" 2 42 2 2 DA H2' 3 2 DT H3 5.180 4.660 5.700 5.399 5.146 5.668 . 0 0 "[ . 1 ]" 2 43 2 2 DA H61 3 2 DT H3 3.720 2.980 4.460 4.329 4.107 4.459 . 0 0 "[ . 1 ]" 2 44 2 2 DA H62 3 2 DT H3 3.220 2.580 3.860 2.693 2.533 2.814 0.047 2 0 "[ . 1 ]" 2 45 2 2 DA H8 3 2 DT H3 3.220 2.900 3.540 3.116 2.984 3.307 . 0 0 "[ . 1 ]" 2 46 2 2 DA H2' 3 3 DT H3 4.530 4.080 4.980 4.361 4.190 4.529 . 0 0 "[ . 1 ]" 2 47 2 2 DA H2'' 3 3 DT H3 4.890 4.400 5.380 4.959 4.788 5.111 . 0 0 "[ . 1 ]" 2 48 2 2 DA H62 3 3 DT H3 4.360 3.480 5.240 5.168 4.994 5.271 0.031 8 0 "[ . 1 ]" 2 49 2 2 DA H8 3 3 DT H3 4.080 3.670 4.490 4.044 3.770 4.391 . 0 0 "[ . 1 ]" 2 50 2 3 DA Q6 2 4 DT H3 4.190 3.350 5.030 4.114 3.897 4.396 . 0 0 "[ . 1 ]" 2 51 2 3 DA H2 2 4 DT H3 4.270 3.840 4.700 4.000 3.851 4.221 . 0 0 "[ . 1 ]" 2 52 2 3 DA Q2' 3 3 DT H3 5.130 4.620 5.640 4.964 4.900 5.058 . 0 0 "[ . 1 ]" 2 53 2 3 DA Q6 3 3 DT H3 3.520 2.820 4.220 2.858 2.783 2.941 0.037 14 0 "[ . 1 ]" 2 54 2 3 DA H8 3 3 DT H3 3.470 3.120 3.820 3.126 3.049 3.231 0.071 3 0 "[ . 1 ]" 2 55 2 4 DT H3 2 5 DA H2 5.090 4.580 5.600 5.497 5.249 5.751 0.151 13 0 "[ . 1 ]" 2 56 2 4 DT H3 2 5 DA Q6 4.430 3.550 5.310 4.432 4.334 4.549 . 0 0 "[ . 1 ]" 2 57 2 4 DT M7 3 3 DT H3 4.270 3.840 5.000 3.720 3.438 3.922 0.402 3 0 "[ . 1 ]" 2 58 2 4 DT M7 3 5 DT H3 4.360 3.920 5.100 3.117 2.930 3.462 0.990 6 13 "[*****+****-** ]" 2 59 2 4 DT H2' 3 5 DT H3 5.500 4.500 5.700 4.571 4.476 4.705 0.024 1 0 "[ . 1 ]" 2 60 2 4 DT H2'' 3 5 DT H3 4.960 4.460 5.460 5.396 5.219 5.538 0.078 5 0 "[ . 1 ]" 2 61 2 4 DT H6 3 5 DT H3 4.210 3.790 4.630 4.594 4.395 4.674 0.044 8 0 "[ . 1 ]" 2 62 2 5 DA H2 2 6 DG H1 5.000 4.500 5.500 4.757 4.444 5.013 0.056 13 0 "[ . 1 ]" 2 63 2 5 DA Q6 2 6 DG H1 4.510 3.610 5.170 3.531 3.348 3.715 0.262 1 0 "[ . 1 ]" 2 64 2 5 DA Q6 3 4 DG H1 . 4.020 4.840 3.578 3.500 3.794 0.520 1 4 "[+** . - 1 ]" 2 65 2 5 DA H8 3 5 DT H3 2.960 2.860 5.600 3.487 3.351 3.597 . 0 0 "[ . 1 ]" 2 66 2 5 DA Q6 3 5 DT H3 2.960 2.860 4.290 2.728 2.698 2.761 0.162 10 0 "[ . 1 ]" 2 67 2 6 DG H1 3 6 DC H41 4.860 3.880 5.840 4.151 4.026 4.304 . 0 0 "[ . 1 ]" 2 68 2 7 DG H1 3 6 DC H42 4.440 3.560 5.320 5.360 5.302 5.385 0.065 1 0 "[ . 1 ]" 2 69 2 7 DG H1 3 7 DC H42 5.130 4.370 5.640 5.400 5.212 5.487 . 0 0 "[ . 1 ]" 2 70 2 7 DG H1 3 7 DC H41 5.500 4.000 5.600 4.099 3.965 4.253 0.035 8 0 "[ . 1 ]" 2 71 3 2 DT H1' 3 2 DT H3 5.500 4.500 5.700 4.499 4.455 4.560 0.045 4 0 "[ . 1 ]" 2 72 3 2 DT H3 3 3 DT M7 5.500 4.500 5.900 4.440 4.010 4.828 0.490 9 0 "[ . 1 ]" 2 73 3 2 DT H3 3 3 DT H3 4.250 3.820 4.680 3.880 3.790 4.171 0.030 1 0 "[ . 1 ]" 2 74 3 3 DT M7 3 4 DG H1 4.000 3.200 4.700 2.991 2.652 3.239 0.548 2 1 "[ + . 1 ]" 2 75 3 3 DT H3 3 4 DG H1' 5.230 4.710 5.750 4.779 4.665 4.996 0.045 1 0 "[ . 1 ]" 2 76 3 3 DT H3 3 4 DG H1 5.500 4.950 5.500 5.134 4.921 5.414 0.029 7 0 "[ . 1 ]" 2 77 3 4 DG H1 3 5 DT M7 5.500 4.950 6.000 3.764 3.708 3.864 1.242 14 14 [****-********+] 2 78 2 4 DT M7 3 4 DG H1 5.500 4.950 6.000 4.743 4.453 4.859 0.497 5 0 "[ . 1 ]" 2 79 3 4 DG H1 3 5 DT H3 5.100 4.590 5.500 5.639 5.597 5.677 0.177 1 0 "[ . 1 ]" 2 80 1 3 DT H3 3 4 DG H1 5.500 4.900 6.000 5.723 5.423 6.046 0.046 14 0 "[ . 1 ]" 2 81 3 5 DT H1' 3 5 DT H3 5.350 4.810 5.890 4.705 4.662 4.744 0.148 3 0 "[ . 1 ]" 2 82 3 5 DT H3 3 6 DC H41 4.360 3.480 5.240 4.172 3.998 4.345 . 0 0 "[ . 1 ]" 2 83 3 5 DT H3 3 6 DC H5 4.490 4.040 4.940 4.669 4.393 4.916 . 0 0 "[ . 1 ]" 2 84 3 5 DT H3 3 6 DC H42 4.960 3.960 5.500 4.560 4.204 4.945 . 0 0 "[ . 1 ]" 2 85 3 5 DT H3 3 6 DC H1' 5.500 4.500 5.700 5.370 4.859 5.747 0.047 14 0 "[ . 1 ]" 2 stop_ save_ save_distance_constraint_statistics_3 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 3 _Distance_constraint_stats_list.Constraint_count 31 _Distance_constraint_stats_list.Viol_count 234 _Distance_constraint_stats_list.Viol_total 2369.342 _Distance_constraint_stats_list.Viol_max 1.434 _Distance_constraint_stats_list.Viol_rms 0.4813 _Distance_constraint_stats_list.Viol_average_all_restraints 0.3900 _Distance_constraint_stats_list.Viol_average_violations_only 0.7232 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 DC 26.760 0.997 3 14 [**+****-******] 1 2 DC 19.675 1.434 5 14 [****+*****-***] 1 3 DT 7.609 0.844 2 5 "[ + . -** * ]" 1 4 DA 23.085 1.358 3 14 [**+*********-*] 1 5 DT 45.425 1.429 14 14 [*****-*******+] 2 1 DG 0.000 0.000 . 0 "[ . 1 ]" 2 3 DA 34.423 1.222 7 14 [******+******-] 2 4 DT 19.605 1.201 1 14 [+************-] 2 5 DA 15.470 1.180 2 14 [*+********-***] 2 6 DG 2.990 0.280 10 0 "[ . 1 ]" 3 1 DC 15.851 1.273 11 14 [*****-****+***] 3 2 DT 22.161 1.429 14 14 [************-+] 3 3 DT 33.008 1.358 3 14 [**+********-**] 3 4 DG 1.875 0.312 4 0 "[ . 1 ]" 3 5 DT 66.646 1.434 5 14 [****+**-******] 3 6 DC 0.905 0.097 5 0 "[ . 1 ]" 3 7 DC 2.990 0.280 10 0 "[ . 1 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats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stop_ save_ save_distance_constraint_statistics_4 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 4 _Distance_constraint_stats_list.Constraint_count 37 _Distance_constraint_stats_list.Viol_count 165 _Distance_constraint_stats_list.Viol_total 491.971 _Distance_constraint_stats_list.Viol_max 0.724 _Distance_constraint_stats_list.Viol_rms 0.1245 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0678 _Distance_constraint_stats_list.Viol_average_violations_only 0.2130 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 DC 0.000 0.000 . 0 "[ . 1 ]" 1 3 DT 2.191 0.232 2 0 "[ . 1 ]" 1 4 DA 3.077 0.314 9 0 "[ . 1 ]" 1 5 DT 3.438 0.219 1 0 "[ . 1 ]" 1 6 DT 0.000 0.000 . 0 "[ . 1 ]" 1 7 DC 2.234 0.724 10 2 "[ . +- ]" 2 1 DG 0.000 0.000 . 0 "[ . 1 ]" 2 2 DA 2.369 0.205 14 0 "[ . 1 ]" 2 4 DT 4.616 0.467 11 0 "[ . 1 ]" 2 5 DA 4.616 0.467 11 0 "[ . 1 ]" 2 7 DG 1.306 0.524 9 1 "[ . +1 ]" 3 1 DC 0.000 0.000 . 0 "[ . 1 ]" 3 3 DT 1.491 0.179 5 0 "[ . 1 ]" 3 5 DT 4.999 0.477 5 0 "[ . 1 ]" 3 6 DC 14.419 0.477 5 0 "[ . 1 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 DC Q2' 1 1 DC H6 2.100 . 2.700 2.006 1.973 2.030 . 0 0 "[ . 1 ]" 4 2 1 1 DC Q2' 1 1 DC H4' 3.200 . 3.600 3.546 3.507 3.581 . 0 0 "[ . 1 ]" 4 3 1 3 DT H2' 1 3 DT H3' 2.200 . 2.700 2.368 2.319 2.415 . 0 0 "[ . 1 ]" 4 4 1 3 DT H2'' 1 3 DT H3' 2.400 . 2.700 2.857 2.731 2.932 0.232 2 0 "[ . 1 ]" 4 5 1 3 DT H2'' 1 4 DA H8 2.200 . 2.700 2.636 2.581 2.694 . 0 0 "[ . 1 ]" 4 6 1 4 DA Q2' 1 4 DA H8 2.600 . 2.700 2.920 2.831 3.014 0.314 9 0 "[ . 1 ]" 4 7 1 4 DA Q2' 1 4 DA H3' 2.400 . 2.700 2.238 2.220 2.267 . 0 0 "[ . 1 ]" 4 8 1 4 DA Q2' 1 4 DA H4' 2.600 . 3.600 3.224 3.148 3.285 . 0 0 "[ . 1 ]" 4 9 1 5 DT H2' 1 5 DT H3' 2.200 . 5.500 2.231 2.213 2.251 . 0 0 "[ . 1 ]" 4 10 1 5 DT H2' 1 6 DT M7 2.900 . 3.900 2.169 2.007 2.390 . 0 0 "[ . 1 ]" 4 11 1 5 DT H2'' 1 5 DT H3' 2.500 . 2.700 2.895 2.879 2.919 0.219 1 0 "[ . 1 ]" 4 12 1 5 DT H2'' 1 5 DT H4' 2.600 . 3.600 3.648 3.579 3.762 0.162 5 0 "[ . 1 ]" 4 13 1 5 DT H2'' 1 6 DT H6 2.300 . 2.700 2.482 2.428 2.532 . 0 0 "[ . 1 ]" 4 14 1 7 DC H2' 1 7 DC H6 2.700 . 3.600 2.867 2.208 3.371 . 0 0 "[ . 1 ]" 4 15 1 7 DC H3' 1 7 DC H6 3.100 . 3.600 3.243 2.575 4.324 0.724 10 2 "[ . +- ]" 4 16 1 6 DT H2'' 1 7 DC H6 2.600 . 2.700 2.351 2.174 2.611 . 0 0 "[ . 1 ]" 4 17 2 1 DG H2' 2 1 DG H3' 2.000 . 2.700 2.269 2.219 2.292 . 0 0 "[ . 1 ]" 4 18 2 2 DA H2' 2 2 DA H4' 2.500 . 3.600 3.737 3.688 3.805 0.205 14 0 "[ . 1 ]" 4 19 2 2 DA H2'' 2 2 DA H4' 2.700 . 3.600 3.622 3.555 3.708 0.108 3 0 "[ . 1 ]" 4 20 2 4 DT H2' 2 4 DT H6 1.900 . 2.700 2.302 2.270 2.326 . 0 0 "[ . 1 ]" 4 21 2 4 DT H2' 2 5 DA H8 2.400 . 2.700 2.997 2.720 3.167 0.467 11 0 "[ . 1 ]" 4 22 2 4 DT H2'' 2 4 DT H3' 2.800 . 3.600 2.890 2.849 2.960 . 0 0 "[ . 1 ]" 4 23 2 4 DT H2'' 2 5 DA H8 2.300 . 2.700 2.675 2.498 2.820 0.120 7 0 "[ . 1 ]" 4 24 2 7 DG Q2' 2 7 DG H8 2.200 . 2.700 2.720 2.334 3.224 0.524 9 1 "[ . +1 ]" 4 25 3 1 DC Q2' 3 1 DC H3' 2.700 . 3.600 2.214 2.178 2.287 . 0 0 "[ . 1 ]" 4 26 3 3 DT H2' 3 3 DT M7 3.300 . 3.900 4.007 3.913 4.079 0.179 5 0 "[ . 1 ]" 4 27 3 3 DT H2'' 3 3 DT H3' 2.900 . 3.600 2.713 2.681 2.747 . 0 0 "[ . 1 ]" 4 28 3 5 DT H2' 3 5 DT H6 2.100 . 2.700 2.169 2.136 2.216 . 0 0 "[ . 1 ]" 4 29 3 5 DT H2' 3 6 DC H6 3.000 . 3.600 3.957 3.862 4.077 0.477 5 0 "[ . 1 ]" 4 30 3 5 DT H2'' 3 5 DT H6 2.700 . 3.600 3.492 3.402 3.574 . 0 0 "[ . 1 ]" 4 31 3 5 DT H2'' 3 5 DT H3' 2.700 . 3.600 2.746 2.703 2.805 . 0 0 "[ . 1 ]" 4 32 3 5 DT H2'' 3 6 DC H6 2.900 . 3.600 2.517 2.485 2.561 . 0 0 "[ . 1 ]" 4 33 3 6 DC H2' 3 6 DC H3' 2.500 . 2.700 2.255 2.228 2.290 . 0 0 "[ . 1 ]" 4 34 3 6 DC H2' 3 6 DC H4' 2.700 . 3.600 3.908 3.871 3.970 0.370 14 0 "[ . 1 ]" 4 35 3 6 DC H2'' 3 6 DC H4' 2.600 . 3.600 3.479 3.380 3.583 . 0 0 "[ . 1 ]" 4 36 3 6 DC H1' 3 6 DC H6 3.200 . 3.600 3.564 3.536 3.619 0.019 8 0 "[ . 1 ]" 4 37 3 6 DC H2'' 3 6 DC H6 3.200 . 3.600 3.963 3.921 4.028 0.428 13 0 "[ . 1 ]" 4 stop_ save_ save_distance_constraint_statistics_5 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 5 _Distance_constraint_stats_list.Constraint_count 58 _Distance_constraint_stats_list.Viol_count 325 _Distance_constraint_stats_list.Viol_total 131.734 _Distance_constraint_stats_list.Viol_max 0.105 _Distance_constraint_stats_list.Viol_rms 0.0194 _Distance_constraint_stats_list.Viol_average_all_restraints 0.0116 _Distance_constraint_stats_list.Viol_average_violations_only 0.0290 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 1 DC 1.355 0.083 14 0 "[ . 1 ]" 1 2 DC 0.853 0.069 5 0 "[ . 1 ]" 1 3 DT 0.582 0.105 10 0 "[ . 1 ]" 1 4 DA 0.677 0.084 7 0 "[ . 1 ]" 1 5 DT 0.102 0.033 9 0 "[ . 1 ]" 1 6 DT 0.488 0.073 5 0 "[ . 1 ]" 1 7 DC 0.856 0.066 11 0 "[ . 1 ]" 2 1 DG 2.163 0.076 12 0 "[ . 1 ]" 2 2 DA 0.844 0.073 5 0 "[ . 1 ]" 2 3 DA 0.258 0.046 9 0 "[ . 1 ]" 2 4 DT 0.677 0.084 7 0 "[ . 1 ]" 2 5 DA 1.212 0.105 10 0 "[ . 1 ]" 2 6 DG 1.881 0.072 12 0 "[ . 1 ]" 2 7 DG 2.375 0.083 14 0 "[ . 1 ]" 3 1 DC 1.307 0.076 12 0 "[ . 1 ]" 3 2 DT 0.356 0.049 6 0 "[ . 1 ]" 3 3 DT 0.156 0.046 9 0 "[ . 1 ]" 3 5 DT 0.631 0.076 12 0 "[ . 1 ]" 3 6 DC 1.028 0.072 12 0 "[ . 1 ]" 3 7 DC 1.020 0.078 1 0 "[ . 1 ]" stop_ loop_ _Distance_constraint_stats.Restraint_ID _Distance_constraint_stats.Atom_1_entity_assembly_ID _Distance_constraint_stats.Atom_1_comp_index_ID _Distance_constraint_stats.Atom_1_comp_ID _Distance_constraint_stats.Atom_1_ID _Distance_constraint_stats.Atom_2_entity_assembly_ID _Distance_constraint_stats.Atom_2_comp_index_ID _Distance_constraint_stats.Atom_2_comp_ID _Distance_constraint_stats.Atom_2_ID _Distance_constraint_stats.Node_1_distance_val _Distance_constraint_stats.Node_1_distance_lower_bound_val _Distance_constraint_stats.Node_1_distance_upper_bound_val _Distance_constraint_stats.Distance_average _Distance_constraint_stats.Distance_minimum _Distance_constraint_stats.Distance_maximum _Distance_constraint_stats.Max_violation _Distance_constraint_stats.Max_violation_model_number _Distance_constraint_stats.Over_cutoff_violation_count _Distance_constraint_stats.Over_cutoff_viol_per_model _Distance_constraint_stats.Distance_constraint_stats_ID 1 1 1 DC N3 2 7 DG H1 1.940 . 2.040 1.937 1.904 1.977 . 0 0 "[ . 1 ]" 5 2 1 1 DC Q4 2 7 DG O6 1.900 . 2.000 1.793 1.777 1.856 0.023 10 0 "[ . 1 ]" 5 3 1 1 DC O2 2 7 DG H21 1.840 . 1.940 1.728 1.690 1.760 0.050 14 0 "[ . 1 ]" 5 4 1 2 DC N3 2 6 DG H1 1.940 . 2.040 1.893 1.849 1.969 . 0 0 "[ . 1 ]" 5 5 1 2 DC Q4 2 6 DG O6 1.900 . 2.000 1.855 1.758 2.007 0.042 14 0 "[ . 1 ]" 5 6 1 2 DC O2 2 6 DG H21 1.840 . 1.940 1.748 1.717 1.802 0.023 2 0 "[ . 1 ]" 5 7 1 3 DT H3 2 5 DA N1 1.810 . 1.910 1.856 1.720 1.930 0.020 4 0 "[ . 1 ]" 5 8 1 3 DT O4 2 5 DA Q6 1.840 . 1.940 1.839 1.768 1.920 . 0 0 "[ . 1 ]" 5 9 1 4 DA N1 2 4 DT H3 1.810 . 1.910 1.854 1.728 1.938 0.028 13 0 "[ . 1 ]" 5 10 1 4 DA Q6 2 4 DT O4 1.840 . 1.940 1.814 1.764 1.866 . 0 0 "[ . 1 ]" 5 11 1 5 DT H3 2 3 DA N1 1.810 . 1.910 1.763 1.711 1.851 . 0 0 "[ . 1 ]" 5 12 1 5 DT O4 2 3 DA Q6 1.840 . 1.940 1.865 1.811 1.933 . 0 0 "[ . 1 ]" 5 13 1 6 DT H3 2 2 DA N1 1.810 . 1.910 1.813 1.729 1.922 0.012 3 0 "[ . 1 ]" 5 14 1 6 DT O4 2 2 DA H61 1.840 . 1.940 1.827 1.782 1.891 . 0 0 "[ . 1 ]" 5 15 1 7 DC N3 2 1 DG H1 1.940 . 2.040 1.932 1.854 1.969 . 0 0 "[ . 1 ]" 5 16 1 7 DC H41 2 1 DG O6 1.900 . 2.000 1.812 1.769 1.889 0.031 1 0 "[ . 1 ]" 5 17 1 7 DC O2 2 1 DG H21 1.840 . 1.940 1.753 1.721 1.853 0.019 11 0 "[ . 1 ]" 5 18 2 1 DG N7 3 1 DC H3 1.940 . 2.040 1.860 1.807 1.972 0.033 12 0 "[ . 1 ]" 5 19 2 1 DG O6 3 1 DC Q4 1.900 . 2.000 1.785 1.748 1.817 0.052 3 0 "[ . 1 ]" 5 20 2 2 DA N7 3 2 DT H3 1.880 . 1.980 1.824 1.786 1.911 . 0 0 "[ . 1 ]" 5 21 2 2 DA H62 3 2 DT O4 1.820 . 1.920 1.814 1.748 1.928 0.008 5 0 "[ . 1 ]" 5 22 2 3 DA N7 3 3 DT H3 1.880 . 1.980 1.847 1.784 1.904 . 0 0 "[ . 1 ]" 5 23 2 3 DA Q6 3 3 DT O4 1.820 . 1.920 1.770 1.734 1.829 . 0 0 "[ . 1 ]" 5 24 2 5 DA N7 3 5 DT H3 1.880 . 1.980 2.010 1.970 2.056 0.076 12 0 "[ . 1 ]" 5 25 2 5 DA Q6 3 5 DT O4 1.820 . 1.920 1.763 1.711 1.825 0.009 3 0 "[ . 1 ]" 5 26 2 6 DG N7 3 6 DC H3 1.940 . 2.040 1.924 1.838 2.027 0.002 1 0 "[ . 1 ]" 5 27 2 6 DG O6 3 6 DC H41 1.900 . 2.000 1.786 1.740 1.875 0.060 12 0 "[ . 1 ]" 5 28 2 7 DG N7 3 7 DC H3 1.940 . 2.040 1.900 1.836 2.010 0.004 1 0 "[ . 1 ]" 5 29 2 7 DG O6 3 7 DC H41 1.900 . 2.000 1.844 1.776 2.004 0.024 12 0 "[ . 1 ]" 5 30 1 1 DC N3 2 7 DG N1 2.950 2.850 3.050 2.888 2.851 2.935 . 0 0 "[ . 1 ]" 5 31 1 1 DC N4 2 7 DG O6 2.910 2.810 3.010 2.791 2.772 2.849 0.038 10 0 "[ . 1 ]" 5 32 1 1 DC O2 2 7 DG N2 2.860 2.760 2.960 2.711 2.677 2.744 0.083 14 0 "[ . 1 ]" 5 33 1 2 DC N3 2 6 DG N1 2.950 2.850 3.050 2.870 2.828 2.949 0.022 2 0 "[ . 1 ]" 5 34 1 2 DC N4 2 6 DG O6 2.910 2.810 3.010 2.857 2.762 3.010 0.048 14 0 "[ . 1 ]" 5 35 1 2 DC O2 2 6 DG N2 2.860 2.760 2.960 2.735 2.691 2.798 0.069 5 0 "[ . 1 ]" 5 36 1 3 DT N3 2 5 DA N1 2.820 2.720 2.920 2.852 2.717 2.926 0.006 4 0 "[ . 1 ]" 5 37 1 3 DT O4 2 5 DA N6 2.950 2.850 3.050 2.812 2.745 2.873 0.105 10 0 "[ . 1 ]" 5 38 1 4 DA N1 2 4 DT N3 2.820 2.720 2.920 2.852 2.725 2.935 0.015 13 0 "[ . 1 ]" 5 39 1 4 DA N6 2 4 DT O4 2.950 2.850 3.050 2.809 2.766 2.862 0.084 7 0 "[ . 1 ]" 5 40 1 5 DT N3 2 3 DA N1 2.820 2.720 2.920 2.759 2.706 2.849 0.014 8 0 "[ . 1 ]" 5 41 1 5 DT O4 2 3 DA N6 2.950 2.850 3.050 2.870 2.817 2.938 0.033 9 0 "[ . 1 ]" 5 42 1 6 DT N3 2 2 DA N1 2.820 2.720 2.920 2.809 2.726 2.913 . 0 0 "[ . 1 ]" 5 43 1 6 DT O4 2 2 DA N6 2.950 2.850 3.050 2.821 2.777 2.881 0.073 5 0 "[ . 1 ]" 5 44 1 7 DC N3 2 1 DG N1 2.950 2.850 3.050 2.890 2.824 2.928 0.026 4 0 "[ . 1 ]" 5 45 1 7 DC N4 2 1 DG O6 2.910 2.810 3.010 2.803 2.760 2.879 0.050 1 0 "[ . 1 ]" 5 46 1 7 DC O2 2 1 DG N2 2.860 2.760 2.960 2.732 2.694 2.822 0.066 11 0 "[ . 1 ]" 5 47 2 1 DG N7 3 1 DC N3 2.950 2.850 3.050 2.814 2.774 2.920 0.076 12 0 "[ . 1 ]" 5 48 2 1 DG O6 3 1 DC N4 2.910 2.810 3.010 2.783 2.741 2.814 0.069 3 0 "[ . 1 ]" 5 49 2 2 DA N7 3 2 DT N3 2.927 2.827 3.027 2.809 2.778 2.893 0.049 6 0 "[ . 1 ]" 5 50 2 2 DA N6 3 2 DT O4 2.861 2.761 2.961 2.810 2.745 2.924 0.016 8 0 "[ . 1 ]" 5 51 2 3 DA N7 3 3 DT N3 2.927 2.827 3.027 2.843 2.781 2.895 0.046 9 0 "[ . 1 ]" 5 52 2 3 DA N6 3 3 DT O4 2.861 2.761 2.961 2.774 2.738 2.834 0.023 7 0 "[ . 1 ]" 5 53 2 5 DA N7 3 5 DT N3 2.927 2.827 3.027 2.963 2.924 3.014 . 0 0 "[ . 1 ]" 5 54 2 5 DA N6 3 5 DT O4 2.861 2.761 2.961 2.754 2.712 2.799 0.049 3 0 "[ . 1 ]" 5 55 2 6 DG N7 3 6 DC N3 2.950 2.850 3.050 2.868 2.788 2.981 0.062 1 0 "[ . 1 ]" 5 56 2 6 DG O6 3 6 DC N4 2.910 2.810 3.010 2.784 2.738 2.875 0.072 12 0 "[ . 1 ]" 5 57 2 7 DG N7 3 7 DC N3 2.950 2.850 3.050 2.812 2.772 2.873 0.078 1 0 "[ . 1 ]" 5 58 2 7 DG O6 3 7 DC N4 2.910 2.810 3.010 2.786 2.738 2.840 0.072 14 0 "[ . 1 ]" 5 stop_ save_
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