NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593718 |
2n58   |
25699 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n58
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 292
_Distance_constraint_stats_list.Viol_count 289
_Distance_constraint_stats_list.Viol_total 192.152
_Distance_constraint_stats_list.Viol_max 0.271
_Distance_constraint_stats_list.Viol_rms 0.0125
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0332
_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 TYR 0.005 0.003 11 0 "[ . 1 . 2]"
1 2 ALA 0.003 0.003 11 0 "[ . 1 . 2]"
1 3 GLU 0.007 0.005 11 0 "[ . 1 . 2]"
1 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.003 0.001 11 0 "[ . 1 . 2]"
1 6 ALA 0.008 0.005 11 0 "[ . 1 . 2]"
1 7 GLN 0.154 0.056 5 0 "[ . 1 . 2]"
1 8 GLU 0.175 0.056 5 0 "[ . 1 . 2]"
1 9 LYS 0.024 0.013 17 0 "[ . 1 . 2]"
1 10 GLY 0.001 0.001 2 0 "[ . 1 . 2]"
1 11 PHE 0.045 0.027 20 0 "[ . 1 . 2]"
1 12 LEU 0.012 0.004 17 0 "[ . 1 . 2]"
1 13 TYR 0.068 0.030 20 0 "[ . 1 . 2]"
1 14 ARG 0.192 0.057 20 0 "[ . 1 . 2]"
1 15 LEU 0.020 0.009 17 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.005 0.001 17 0 "[ . 1 . 2]"
1 18 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.048 0.009 17 0 "[ . 1 . 2]"
1 20 ARG 0.025 0.003 4 0 "[ . 1 . 2]"
1 21 HIS 0.002 0.001 6 0 "[ . 1 . 2]"
1 22 TYR 0.383 0.054 8 0 "[ . 1 . 2]"
1 23 ALA 2.271 0.156 7 0 "[ . 1 . 2]"
1 24 ALA 0.659 0.095 9 0 "[ . 1 . 2]"
1 25 PHE 2.834 0.156 7 0 "[ . 1 . 2]"
1 26 GLU 1.281 0.094 17 0 "[ . 1 . 2]"
1 27 ARG 0.463 0.081 14 0 "[ . 1 . 2]"
1 28 ALA 1.550 0.075 19 0 "[ . 1 . 2]"
1 29 THR 3.586 0.271 18 0 "[ . 1 . 2]"
1 30 PHE 4.327 0.180 16 0 "[ . 1 . 2]"
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 TYR HA 1 1 TYR QD . . 3.910 3.123 2.030 3.741 . 0 0 "[ . 1 . 2]" 1
2 1 1 TYR QB 1 2 ALA MB . . 4.840 4.109 3.180 4.843 0.003 11 0 "[ . 1 . 2]" 1
3 1 1 TYR QD 1 2 ALA HA . . 4.950 4.070 3.158 4.949 . 0 0 "[ . 1 . 2]" 1
4 1 1 TYR QD 1 5 VAL QG . . 4.990 4.507 3.307 4.991 0.001 11 0 "[ . 1 . 2]" 1
5 1 1 TYR QD 1 27 ARG QG . . 4.440 4.061 2.754 4.440 . 0 0 "[ . 1 . 2]" 1
6 1 1 TYR QE 1 23 ALA MB . . 4.990 3.875 2.495 4.873 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA H 1 2 ALA MB . . 3.610 2.445 2.060 2.890 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA H 1 5 VAL QG . . 5.200 4.740 3.396 5.194 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 4 LYS H . . 4.720 2.455 1.906 3.617 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU H 1 6 ALA MB . . 4.900 4.634 3.706 4.905 0.005 11 0 "[ . 1 . 2]" 1
11 1 4 LYS H 1 4 LYS QB . . 3.630 2.587 2.148 3.337 . 0 0 "[ . 1 . 2]" 1
12 1 4 LYS H 1 4 LYS HG2 . . 4.860 3.991 2.079 4.795 . 0 0 "[ . 1 . 2]" 1
13 1 4 LYS H 1 4 LYS QG . . 4.140 3.319 2.039 4.137 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS H 1 4 LYS HG3 . . 4.860 3.743 2.282 4.663 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS H 1 5 VAL H . . 4.030 2.394 1.906 2.812 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 5 VAL QG . . 4.720 3.544 2.864 4.282 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 6 ALA MB . . 5.560 4.779 3.753 5.554 . 0 0 "[ . 1 . 2]" 1
18 1 4 LYS HA 1 4 LYS QD . . 4.340 3.572 2.272 4.335 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS HA 1 4 LYS QG . . 3.700 2.547 2.161 3.419 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL H 1 5 VAL HB . . 4.080 3.124 2.539 3.799 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL H 1 5 VAL QG . . 3.900 2.127 1.905 2.660 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL H 1 6 ALA MB . . 4.900 3.955 3.537 4.503 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL HA 1 5 VAL QG . . 3.340 2.195 2.051 2.351 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL HA 1 8 GLU H . . 4.710 4.010 3.503 4.711 0.001 19 0 "[ . 1 . 2]" 1
25 1 5 VAL HA 1 13 TYR QE . . 5.340 4.548 2.384 5.341 0.001 11 0 "[ . 1 . 2]" 1
26 1 5 VAL QG 1 6 ALA H . . 4.370 2.724 2.004 3.561 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL QG 1 6 ALA HA . . 3.960 3.480 3.042 3.958 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL QG 1 7 GLN H . . 5.500 4.544 3.871 5.437 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL QG 1 8 GLU H . . 5.400 4.687 4.193 5.379 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL QG 1 13 TYR QD . . 4.690 4.113 3.557 4.649 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL QG 1 13 TYR QE . . 4.900 2.653 1.881 3.457 . 0 0 "[ . 1 . 2]" 1
32 1 6 ALA H 1 6 ALA MB . . 3.540 2.302 2.059 2.890 . 0 0 "[ . 1 . 2]" 1
33 1 6 ALA HA 1 14 ARG HE . . 4.720 4.115 2.321 4.721 0.001 15 0 "[ . 1 . 2]" 1
34 1 6 ALA MB 1 13 TYR QE . . 5.160 4.393 2.813 5.160 0.000 11 0 "[ . 1 . 2]" 1
35 1 7 GLN H 1 7 GLN QG . . 4.260 3.111 2.031 4.101 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLN H 1 8 GLU H . . 3.240 2.419 1.900 2.760 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLN HA 1 7 GLN QG . . 3.890 3.091 2.290 3.448 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLN QB 1 8 GLU H . . 3.830 3.327 2.897 3.707 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLN HB2 1 8 GLU H . . 4.360 4.113 3.946 4.416 0.056 5 0 "[ . 1 . 2]" 1
40 1 7 GLN HB3 1 8 GLU H . . 4.360 3.595 2.966 4.114 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLN QG 1 8 GLU HA . . 4.340 3.597 3.058 4.361 0.021 17 0 "[ . 1 . 2]" 1
42 1 7 GLN QG 1 8 GLU QG . . 3.950 3.579 2.890 3.952 0.002 17 0 "[ . 1 . 2]" 1
43 1 8 GLU H 1 8 GLU QB . . 3.730 2.304 2.142 2.586 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLU H 1 8 GLU QG . . 4.000 2.773 2.277 3.868 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLU H 1 13 TYR QE . . 6.000 5.850 4.615 6.003 0.003 20 0 "[ . 1 . 2]" 1
46 1 8 GLU HA 1 8 GLU QG . . 3.680 2.510 2.178 2.778 . 0 0 "[ . 1 . 2]" 1
47 1 8 GLU QB 1 9 LYS H . . 3.680 2.687 1.956 3.693 0.013 17 0 "[ . 1 . 2]" 1
48 1 8 GLU QB 1 13 TYR QD . . 6.000 5.216 4.333 5.993 . 0 0 "[ . 1 . 2]" 1
49 1 9 LYS H 1 9 LYS QB . . 3.490 2.693 2.168 3.364 . 0 0 "[ . 1 . 2]" 1
50 1 9 LYS H 1 10 GLY H . . 3.570 2.612 1.906 3.158 . 0 0 "[ . 1 . 2]" 1
51 1 9 LYS HA 1 9 LYS QG . . 3.570 2.522 2.161 2.910 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS QB 1 9 LYS QE . . 4.400 3.013 2.029 3.781 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS QB 1 10 GLY H . . 4.070 2.800 1.929 3.806 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS QB 1 13 TYR QD . . 4.100 2.683 2.189 3.042 . 0 0 "[ . 1 . 2]" 1
55 1 9 LYS QB 1 13 TYR QE . . 4.400 3.822 3.143 4.406 0.006 20 0 "[ . 1 . 2]" 1
56 1 9 LYS QD 1 13 TYR QD . . 4.870 3.843 2.666 4.769 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS QE 1 13 TYR QE . . 4.810 3.645 2.333 4.784 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS QG 1 10 GLY H . . 4.820 4.208 3.555 4.683 . 0 0 "[ . 1 . 2]" 1
59 1 9 LYS QG 1 13 TYR QE . . 4.420 3.477 2.921 4.230 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLY H 1 13 TYR QB . . 4.450 3.314 2.425 4.451 0.001 2 0 "[ . 1 . 2]" 1
61 1 11 PHE HA 1 11 PHE QD . . 3.330 2.753 2.322 3.067 . 0 0 "[ . 1 . 2]" 1
62 1 11 PHE HA 1 11 PHE QE . . 4.830 4.633 4.452 4.781 . 0 0 "[ . 1 . 2]" 1
63 1 11 PHE HA 1 14 ARG QD . . 4.350 3.825 2.687 4.377 0.027 20 0 "[ . 1 . 2]" 1
64 1 11 PHE QB 1 12 LEU HA . . 5.040 4.129 3.888 4.249 . 0 0 "[ . 1 . 2]" 1
65 1 11 PHE QD 1 12 LEU HA . . 3.960 3.320 2.913 3.947 . 0 0 "[ . 1 . 2]" 1
66 1 11 PHE QD 1 12 LEU QD . . 3.530 2.841 1.961 3.530 0.000 17 0 "[ . 1 . 2]" 1
67 1 11 PHE QD 1 12 LEU HG . . 3.810 3.587 3.107 3.812 0.002 11 0 "[ . 1 . 2]" 1
68 1 11 PHE QD 1 14 ARG QB . . 4.440 4.174 3.494 4.440 0.000 17 0 "[ . 1 . 2]" 1
69 1 11 PHE QD 1 15 LEU QD . . 3.290 2.982 2.500 3.290 . 0 0 "[ . 1 . 2]" 1
70 1 11 PHE QD 1 15 LEU HG . . 4.660 3.922 3.165 4.512 . 0 0 "[ . 1 . 2]" 1
71 1 11 PHE QE 1 12 LEU QD . . 4.700 4.148 3.183 4.702 0.002 11 0 "[ . 1 . 2]" 1
72 1 11 PHE QE 1 15 LEU QD . . 3.900 2.416 1.816 2.840 . 0 0 "[ . 1 . 2]" 1
73 1 11 PHE QE 1 15 LEU HG . . 4.850 3.971 2.992 4.626 . 0 0 "[ . 1 . 2]" 1
74 1 12 LEU H 1 12 LEU QD . . 5.030 2.621 1.960 2.984 . 0 0 "[ . 1 . 2]" 1
75 1 12 LEU H 1 12 LEU HG . . 4.250 2.316 1.949 3.479 . 0 0 "[ . 1 . 2]" 1
76 1 12 LEU H 1 13 TYR H . . 4.380 2.745 2.666 2.815 . 0 0 "[ . 1 . 2]" 1
77 1 12 LEU HA 1 12 LEU MD1 . . 4.100 3.727 2.999 3.966 . 0 0 "[ . 1 . 2]" 1
78 1 12 LEU HA 1 12 LEU QD . . 3.190 2.516 2.104 3.063 . 0 0 "[ . 1 . 2]" 1
79 1 12 LEU HA 1 12 LEU MD2 . . 4.100 2.701 2.114 3.685 . 0 0 "[ . 1 . 2]" 1
80 1 12 LEU HA 1 12 LEU HG . . 4.000 2.922 2.366 3.385 . 0 0 "[ . 1 . 2]" 1
81 1 12 LEU HA 1 15 LEU QD . . 3.750 2.118 1.945 2.487 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU HB2 1 13 TYR H . . 4.170 2.803 2.577 3.002 . 0 0 "[ . 1 . 2]" 1
83 1 12 LEU HB3 1 12 LEU MD1 . . 3.660 2.658 2.236 3.161 . 0 0 "[ . 1 . 2]" 1
84 1 12 LEU HB3 1 12 LEU MD2 . . 3.660 2.172 1.965 2.435 . 0 0 "[ . 1 . 2]" 1
85 1 12 LEU HB3 1 13 TYR H . . 4.010 3.849 3.617 4.000 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU HB3 1 15 LEU QD . . 3.320 3.295 3.220 3.324 0.004 17 0 "[ . 1 . 2]" 1
87 1 13 TYR H 1 13 TYR QB . . 3.280 2.242 2.174 2.250 . 0 0 "[ . 1 . 2]" 1
88 1 13 TYR H 1 13 TYR QD . . 4.330 4.177 4.019 4.196 . 0 0 "[ . 1 . 2]" 1
89 1 13 TYR HA 1 13 TYR QD . . 3.400 2.912 2.428 3.046 . 0 0 "[ . 1 . 2]" 1
90 1 13 TYR HA 1 13 TYR QE . . 4.930 4.766 4.584 4.911 . 0 0 "[ . 1 . 2]" 1
91 1 13 TYR QB 1 14 ARG H . . 3.720 2.488 2.257 2.702 . 0 0 "[ . 1 . 2]" 1
92 1 13 TYR QB 1 14 ARG HA . . 5.990 4.223 4.193 4.366 . 0 0 "[ . 1 . 2]" 1
93 1 13 TYR QD 1 14 ARG H . . 4.280 3.003 2.782 3.280 . 0 0 "[ . 1 . 2]" 1
94 1 13 TYR QD 1 14 ARG HA . . 4.080 3.052 2.777 3.837 . 0 0 "[ . 1 . 2]" 1
95 1 13 TYR QD 1 14 ARG QB . . 4.270 4.032 3.451 4.273 0.003 2 0 "[ . 1 . 2]" 1
96 1 13 TYR QD 1 14 ARG QG . . 4.260 3.090 2.545 3.948 . 0 0 "[ . 1 . 2]" 1
97 1 13 TYR QD 1 16 THR MG . . 4.450 3.988 3.544 4.266 . 0 0 "[ . 1 . 2]" 1
98 1 13 TYR QE 1 14 ARG HA . . 4.780 4.094 3.770 4.561 . 0 0 "[ . 1 . 2]" 1
99 1 13 TYR QE 1 14 ARG QB . . 5.730 5.467 5.105 5.726 . 0 0 "[ . 1 . 2]" 1
100 1 13 TYR QE 1 14 ARG QG . . 4.500 4.274 3.725 4.530 0.030 20 0 "[ . 1 . 2]" 1
101 1 13 TYR QE 1 16 THR MG . . 4.480 4.298 4.002 4.478 . 0 0 "[ . 1 . 2]" 1
102 1 14 ARG HA 1 19 TYR HB2 . . 4.180 3.376 3.036 3.655 . 0 0 "[ . 1 . 2]" 1
103 1 14 ARG HA 1 19 TYR QB . . 3.570 3.228 2.968 3.382 . 0 0 "[ . 1 . 2]" 1
104 1 14 ARG HA 1 19 TYR HB3 . . 4.180 4.146 3.879 4.185 0.005 17 0 "[ . 1 . 2]" 1
105 1 14 ARG HA 1 19 TYR QD . . 4.230 3.938 3.636 4.134 . 0 0 "[ . 1 . 2]" 1
106 1 14 ARG HA 1 19 TYR QE . . 5.020 4.892 4.542 5.023 0.003 17 0 "[ . 1 . 2]" 1
107 1 14 ARG QB 1 14 ARG QD . . 3.110 2.145 2.059 2.289 . 0 0 "[ . 1 . 2]" 1
108 1 14 ARG QB 1 15 LEU HA . . 4.520 3.934 3.879 3.980 . 0 0 "[ . 1 . 2]" 1
109 1 14 ARG HB2 1 14 ARG HD2 . . 3.990 3.119 2.515 3.988 . 0 0 "[ . 1 . 2]" 1
110 1 14 ARG HB2 1 14 ARG HD3 . . 3.990 2.857 2.114 4.047 0.057 20 0 "[ . 1 . 2]" 1
111 1 14 ARG HB2 1 14 ARG HE . . 4.370 3.854 2.620 4.379 0.009 20 0 "[ . 1 . 2]" 1
112 1 14 ARG HB3 1 14 ARG HD2 . . 3.990 3.255 2.337 3.946 . 0 0 "[ . 1 . 2]" 1
113 1 14 ARG HB3 1 14 ARG HD3 . . 3.990 2.888 2.120 3.597 . 0 0 "[ . 1 . 2]" 1
114 1 14 ARG HB3 1 14 ARG HE . . 4.370 3.532 2.389 4.385 0.015 17 0 "[ . 1 . 2]" 1
115 1 15 LEU H 1 15 LEU QB . . 3.440 2.543 2.368 2.620 . 0 0 "[ . 1 . 2]" 1
116 1 15 LEU H 1 15 LEU QD . . 4.290 2.941 2.814 3.136 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU H 1 15 LEU HG . . 3.650 2.146 1.984 2.506 . 0 0 "[ . 1 . 2]" 1
118 1 15 LEU HA 1 15 LEU QD . . 3.260 2.141 1.958 2.330 . 0 0 "[ . 1 . 2]" 1
119 1 15 LEU HA 1 19 TYR QD . . 4.590 3.629 3.472 3.937 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU HA 1 19 TYR QE . . 4.990 4.728 4.583 4.889 . 0 0 "[ . 1 . 2]" 1
121 1 15 LEU QB 1 16 THR H . . 4.570 3.855 3.769 3.890 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU QD 1 19 TYR QD . . 4.350 4.178 4.059 4.252 . 0 0 "[ . 1 . 2]" 1
123 1 15 LEU QD 1 19 TYR QE . . 4.120 4.091 3.975 4.129 0.009 17 0 "[ . 1 . 2]" 1
124 1 16 THR H 1 16 THR MG . . 4.680 3.188 2.885 3.408 . 0 0 "[ . 1 . 2]" 1
125 1 16 THR HA 1 16 THR MG . . 3.690 2.285 2.187 2.428 . 0 0 "[ . 1 . 2]" 1
126 1 16 THR HB 1 17 SER H . . 3.910 2.296 1.949 2.616 . 0 0 "[ . 1 . 2]" 1
127 1 16 THR HB 1 17 SER HB2 . . 4.550 4.434 4.251 4.546 . 0 0 "[ . 1 . 2]" 1
128 1 16 THR HB 1 17 SER HB3 . . 4.550 4.413 4.207 4.547 . 0 0 "[ . 1 . 2]" 1
129 1 16 THR HB 1 18 ARG H . . 4.780 2.775 2.482 3.197 . 0 0 "[ . 1 . 2]" 1
130 1 16 THR HB 1 18 ARG QD . . 5.570 4.080 3.387 4.994 . 0 0 "[ . 1 . 2]" 1
131 1 16 THR MG 1 17 SER H . . 5.230 3.408 3.194 3.574 . 0 0 "[ . 1 . 2]" 1
132 1 17 SER H 1 17 SER HB2 . . 3.810 2.288 2.192 2.507 . 0 0 "[ . 1 . 2]" 1
133 1 17 SER H 1 17 SER HB3 . . 3.810 2.853 2.634 2.960 . 0 0 "[ . 1 . 2]" 1
134 1 17 SER H 1 18 ARG H . . 3.650 2.665 2.327 2.868 . 0 0 "[ . 1 . 2]" 1
135 1 17 SER H 1 18 ARG QD . . 5.170 4.139 3.549 4.764 . 0 0 "[ . 1 . 2]" 1
136 1 17 SER H 1 20 ARG QG . . 5.430 4.909 4.059 5.431 0.001 3 0 "[ . 1 . 2]" 1
137 1 17 SER HA 1 20 ARG H . . 4.360 3.674 3.386 3.940 . 0 0 "[ . 1 . 2]" 1
138 1 17 SER HA 1 20 ARG QB . . 3.730 3.005 2.473 3.711 . 0 0 "[ . 1 . 2]" 1
139 1 17 SER HA 1 20 ARG QD . . 3.960 3.478 2.173 3.961 0.001 17 0 "[ . 1 . 2]" 1
140 1 17 SER HA 1 20 ARG QG . . 4.050 3.282 2.045 4.051 0.001 1 0 "[ . 1 . 2]" 1
141 1 17 SER QB 1 18 ARG H . . 3.940 2.516 2.322 2.875 . 0 0 "[ . 1 . 2]" 1
142 1 17 SER HB2 1 18 ARG H . . 4.480 3.603 3.487 3.789 . 0 0 "[ . 1 . 2]" 1
143 1 17 SER HB3 1 18 ARG H . . 4.480 2.572 2.353 2.979 . 0 0 "[ . 1 . 2]" 1
144 1 18 ARG H 1 18 ARG HB2 . . 3.890 2.354 2.182 2.679 . 0 0 "[ . 1 . 2]" 1
145 1 18 ARG H 1 18 ARG QB . . 3.360 2.318 2.161 2.609 . 0 0 "[ . 1 . 2]" 1
146 1 18 ARG H 1 18 ARG HB3 . . 3.890 3.543 3.489 3.606 . 0 0 "[ . 1 . 2]" 1
147 1 18 ARG H 1 18 ARG QD . . 4.780 2.342 2.021 2.932 . 0 0 "[ . 1 . 2]" 1
148 1 18 ARG H 1 18 ARG HG2 . . 4.470 3.518 1.951 4.125 . 0 0 "[ . 1 . 2]" 1
149 1 18 ARG H 1 18 ARG QG . . 3.920 3.053 1.942 3.559 . 0 0 "[ . 1 . 2]" 1
150 1 18 ARG H 1 18 ARG HG3 . . 4.470 3.655 3.514 3.937 . 0 0 "[ . 1 . 2]" 1
151 1 18 ARG H 1 19 TYR H . . 4.010 2.789 2.484 2.940 . 0 0 "[ . 1 . 2]" 1
152 1 18 ARG HA 1 18 ARG QD . . 3.000 2.637 2.138 2.969 . 0 0 "[ . 1 . 2]" 1
153 1 18 ARG HA 1 18 ARG HG2 . . 3.870 3.507 3.294 3.628 . 0 0 "[ . 1 . 2]" 1
154 1 18 ARG HA 1 18 ARG HG3 . . 3.870 2.673 2.196 3.816 . 0 0 "[ . 1 . 2]" 1
155 1 18 ARG HA 1 21 HIS H . . 4.660 3.471 3.200 3.662 . 0 0 "[ . 1 . 2]" 1
156 1 18 ARG HA 1 21 HIS QB . . 4.030 2.670 2.349 3.347 . 0 0 "[ . 1 . 2]" 1
157 1 18 ARG HA 1 21 HIS HD2 . . 4.820 3.748 2.036 4.810 . 0 0 "[ . 1 . 2]" 1
158 1 18 ARG QB 1 18 ARG QD . . 3.450 2.348 2.095 2.850 . 0 0 "[ . 1 . 2]" 1
159 1 18 ARG QB 1 22 TYR QE . . 4.760 2.183 1.990 2.576 . 0 0 "[ . 1 . 2]" 1
160 1 18 ARG HB2 1 19 TYR H . . 4.220 2.587 2.424 2.778 . 0 0 "[ . 1 . 2]" 1
161 1 18 ARG HB3 1 19 TYR H . . 4.220 3.285 2.932 3.856 . 0 0 "[ . 1 . 2]" 1
162 1 18 ARG QD 1 19 TYR H . . 5.800 4.346 4.012 4.696 . 0 0 "[ . 1 . 2]" 1
163 1 18 ARG HG2 1 22 TYR QE . . 4.750 3.806 3.075 4.748 . 0 0 "[ . 1 . 2]" 1
164 1 18 ARG HG3 1 22 TYR QE . . 4.750 3.767 3.086 4.218 . 0 0 "[ . 1 . 2]" 1
165 1 19 TYR H 1 19 TYR HB2 . . 3.850 2.630 2.610 2.712 . 0 0 "[ . 1 . 2]" 1
166 1 19 TYR H 1 19 TYR HB3 . . 3.850 2.435 2.377 2.456 . 0 0 "[ . 1 . 2]" 1
167 1 19 TYR H 1 19 TYR QD . . 4.250 4.187 4.157 4.197 . 0 0 "[ . 1 . 2]" 1
168 1 19 TYR H 1 20 ARG QG . . 5.690 4.514 4.021 4.900 . 0 0 "[ . 1 . 2]" 1
169 1 19 TYR HA 1 19 TYR QD . . 3.390 2.744 2.355 2.916 . 0 0 "[ . 1 . 2]" 1
170 1 19 TYR HA 1 19 TYR QE . . 5.030 4.702 4.571 4.762 . 0 0 "[ . 1 . 2]" 1
171 1 19 TYR HA 1 21 HIS H . . 4.670 4.160 3.941 4.651 . 0 0 "[ . 1 . 2]" 1
172 1 19 TYR HA 1 22 TYR H . . 4.530 3.445 3.143 3.821 . 0 0 "[ . 1 . 2]" 1
173 1 19 TYR HA 1 22 TYR QD . . 4.000 2.353 2.009 2.716 . 0 0 "[ . 1 . 2]" 1
174 1 19 TYR HA 1 22 TYR QE . . 4.800 4.329 3.838 4.654 . 0 0 "[ . 1 . 2]" 1
175 1 19 TYR HA 1 23 ALA H . . 4.820 4.008 3.545 4.352 . 0 0 "[ . 1 . 2]" 1
176 1 19 TYR QB 1 20 ARG H . . 3.810 2.510 2.187 2.897 . 0 0 "[ . 1 . 2]" 1
177 1 19 TYR QB 1 22 TYR QD . . 4.440 4.077 3.677 4.441 0.001 12 0 "[ . 1 . 2]" 1
178 1 19 TYR HB2 1 20 ARG H . . 4.480 3.904 3.690 4.136 . 0 0 "[ . 1 . 2]" 1
179 1 19 TYR HB3 1 20 ARG H . . 4.480 2.542 2.203 2.958 . 0 0 "[ . 1 . 2]" 1
180 1 19 TYR QD 1 20 ARG H . . 4.480 3.209 2.677 3.857 . 0 0 "[ . 1 . 2]" 1
181 1 19 TYR QD 1 20 ARG HA . . 4.270 3.387 2.986 4.095 . 0 0 "[ . 1 . 2]" 1
182 1 19 TYR QD 1 20 ARG QB . . 4.940 4.399 3.983 4.899 . 0 0 "[ . 1 . 2]" 1
183 1 19 TYR QD 1 20 ARG QD . . 4.450 4.305 3.959 4.453 0.003 4 0 "[ . 1 . 2]" 1
184 1 19 TYR QD 1 20 ARG QG . . 3.960 2.682 2.363 3.045 . 0 0 "[ . 1 . 2]" 1
185 1 19 TYR QD 1 22 TYR QB . . 4.790 4.036 3.610 4.788 . 0 0 "[ . 1 . 2]" 1
186 1 19 TYR QD 1 23 ALA MB . . 4.310 3.831 3.379 4.273 . 0 0 "[ . 1 . 2]" 1
187 1 19 TYR QE 1 20 ARG HA . . 4.810 4.349 3.987 4.812 0.002 17 0 "[ . 1 . 2]" 1
188 1 19 TYR QE 1 20 ARG QD . . 5.560 5.441 4.875 5.562 0.002 3 0 "[ . 1 . 2]" 1
189 1 19 TYR QE 1 20 ARG QG . . 4.710 4.093 3.539 4.710 . 0 0 "[ . 1 . 2]" 1
190 1 19 TYR QE 1 23 ALA HA . . 5.760 5.563 4.821 5.763 0.003 4 0 "[ . 1 . 2]" 1
191 1 19 TYR QE 1 23 ALA MB . . 4.010 3.445 3.023 3.887 . 0 0 "[ . 1 . 2]" 1
192 1 20 ARG H 1 20 ARG HB2 . . 3.950 2.505 2.280 2.702 . 0 0 "[ . 1 . 2]" 1
193 1 20 ARG H 1 20 ARG QB . . 3.440 2.457 2.254 2.627 . 0 0 "[ . 1 . 2]" 1
194 1 20 ARG H 1 20 ARG HB3 . . 3.950 3.578 3.545 3.602 . 0 0 "[ . 1 . 2]" 1
195 1 20 ARG H 1 20 ARG QG . . 4.000 2.319 2.037 2.721 . 0 0 "[ . 1 . 2]" 1
196 1 20 ARG HA 1 20 ARG QD . . 4.060 3.848 3.078 4.062 0.002 8 0 "[ . 1 . 2]" 1
197 1 20 ARG HA 1 20 ARG QG . . 3.690 2.408 2.239 2.566 . 0 0 "[ . 1 . 2]" 1
198 1 20 ARG HA 1 22 TYR H . . 5.060 4.478 3.995 5.050 . 0 0 "[ . 1 . 2]" 1
199 1 20 ARG HA 1 23 ALA H . . 4.460 3.735 3.322 4.179 . 0 0 "[ . 1 . 2]" 1
200 1 20 ARG HA 1 23 ALA MB . . 3.900 3.028 2.424 3.516 . 0 0 "[ . 1 . 2]" 1
201 1 20 ARG QB 1 20 ARG HE . . 4.190 2.803 2.025 4.161 . 0 0 "[ . 1 . 2]" 1
202 1 20 ARG HB2 1 20 ARG HE . . 4.810 3.523 2.069 4.810 . 0 0 "[ . 1 . 2]" 1
203 1 20 ARG HB3 1 20 ARG HE . . 4.810 3.139 2.282 4.775 . 0 0 "[ . 1 . 2]" 1
204 1 21 HIS H 1 21 HIS HB2 . . 4.020 2.281 2.163 2.520 . 0 0 "[ . 1 . 2]" 1
205 1 21 HIS H 1 21 HIS HB3 . . 4.020 3.355 2.727 3.597 . 0 0 "[ . 1 . 2]" 1
206 1 21 HIS H 1 22 TYR H . . 3.830 2.528 2.273 2.833 . 0 0 "[ . 1 . 2]" 1
207 1 21 HIS HA 1 21 HIS HD2 . . 4.590 4.465 3.802 4.584 . 0 0 "[ . 1 . 2]" 1
208 1 21 HIS HA 1 21 HIS HE1 . . 4.940 4.594 4.416 4.940 0.000 10 0 "[ . 1 . 2]" 1
209 1 21 HIS HA 1 23 ALA H . . 4.970 4.507 3.886 4.896 . 0 0 "[ . 1 . 2]" 1
210 1 21 HIS HA 1 24 ALA H . . 4.800 3.536 3.186 3.673 . 0 0 "[ . 1 . 2]" 1
211 1 21 HIS QB 1 22 TYR QD . . 4.970 4.054 3.680 4.329 . 0 0 "[ . 1 . 2]" 1
212 1 21 HIS QB 1 22 TYR QE . . 4.880 4.559 4.039 4.881 0.001 6 0 "[ . 1 . 2]" 1
213 1 22 TYR H 1 22 TYR QB . . 3.190 2.363 2.188 2.590 . 0 0 "[ . 1 . 2]" 1
214 1 22 TYR H 1 22 TYR QD . . 4.000 3.189 2.844 3.398 . 0 0 "[ . 1 . 2]" 1
215 1 22 TYR H 1 23 ALA H . . 3.600 2.617 2.379 2.938 . 0 0 "[ . 1 . 2]" 1
216 1 22 TYR H 1 23 ALA MB . . 4.880 4.260 4.054 4.557 . 0 0 "[ . 1 . 2]" 1
217 1 22 TYR HA 1 22 TYR QD . . 3.340 2.188 1.997 2.603 . 0 0 "[ . 1 . 2]" 1
218 1 22 TYR HA 1 22 TYR QE . . 4.500 4.332 4.229 4.498 . 0 0 "[ . 1 . 2]" 1
219 1 22 TYR HA 1 24 ALA H . . 4.880 3.980 3.685 4.184 . 0 0 "[ . 1 . 2]" 1
220 1 22 TYR HA 1 25 PHE QR . . 4.680 3.834 2.531 4.673 . 0 0 "[ . 1 . 2]" 1
221 1 22 TYR HA 1 26 GLU QB . . 4.180 4.196 4.145 4.234 0.054 8 0 "[ . 1 . 2]" 1
222 1 22 TYR QB 1 23 ALA H . . 4.020 2.592 2.309 3.017 . 0 0 "[ . 1 . 2]" 1
223 1 22 TYR QB 1 24 ALA H . . 4.880 4.422 4.311 4.659 . 0 0 "[ . 1 . 2]" 1
224 1 22 TYR QD 1 23 ALA MB . . 5.370 5.272 5.156 5.370 0.000 14 0 "[ . 1 . 2]" 1
225 1 23 ALA H 1 23 ALA MB . . 3.200 2.144 2.036 2.315 . 0 0 "[ . 1 . 2]" 1
226 1 23 ALA H 1 24 ALA H . . 3.750 2.517 2.132 2.683 . 0 0 "[ . 1 . 2]" 1
227 1 23 ALA HA 1 25 PHE H . . 4.490 3.659 3.458 4.324 . 0 0 "[ . 1 . 2]" 1
228 1 23 ALA HA 1 25 PHE QR . . 6.000 5.889 5.480 6.046 0.046 1 0 "[ . 1 . 2]" 1
229 1 23 ALA HA 1 26 GLU QB . . 4.190 3.073 2.679 3.609 . 0 0 "[ . 1 . 2]" 1
230 1 23 ALA HA 1 26 GLU QG . . 4.490 4.491 4.375 4.514 0.024 16 0 "[ . 1 . 2]" 1
231 1 23 ALA HA 1 27 ARG H . . 4.750 3.091 2.331 3.717 . 0 0 "[ . 1 . 2]" 1
232 1 23 ALA HA 1 27 ARG QB . . 4.150 3.459 1.984 4.159 0.009 2 0 "[ . 1 . 2]" 1
233 1 23 ALA HA 1 30 PHE QE . . 6.000 4.485 2.380 6.060 0.060 17 0 "[ . 1 . 2]" 1
234 1 23 ALA MB 1 24 ALA H . . 3.660 3.023 2.829 3.393 . 0 0 "[ . 1 . 2]" 1
235 1 23 ALA MB 1 25 PHE H . . 5.270 4.365 4.200 4.646 . 0 0 "[ . 1 . 2]" 1
236 1 23 ALA MB 1 25 PHE QR . . 5.510 5.582 5.556 5.666 0.156 7 0 "[ . 1 . 2]" 1
237 1 24 ALA H 1 24 ALA MB . . 3.100 2.243 2.064 2.354 . 0 0 "[ . 1 . 2]" 1
238 1 24 ALA H 1 25 PHE H . . 3.520 2.450 2.106 2.638 . 0 0 "[ . 1 . 2]" 1
239 1 24 ALA HA 1 25 PHE H . . 3.490 3.279 3.083 3.500 0.010 1 0 "[ . 1 . 2]" 1
240 1 24 ALA HA 1 25 PHE QR . . 4.940 4.301 4.020 5.035 0.095 9 0 "[ . 1 . 2]" 1
241 1 24 ALA MB 1 25 PHE H . . 3.670 3.242 2.732 3.510 . 0 0 "[ . 1 . 2]" 1
242 1 24 ALA MB 1 25 PHE QR . . 4.100 2.452 2.040 3.154 . 0 0 "[ . 1 . 2]" 1
243 1 24 ALA MB 1 28 ALA HA . . 4.310 4.128 3.747 4.382 0.072 16 0 "[ . 1 . 2]" 1
244 1 25 PHE H 1 25 PHE QB . . 3.450 2.594 2.362 2.803 . 0 0 "[ . 1 . 2]" 1
245 1 25 PHE H 1 26 GLU H . . 3.450 2.078 1.852 2.639 . 0 0 "[ . 1 . 2]" 1
246 1 25 PHE HA 1 25 PHE QR . . 3.540 2.884 2.246 3.073 . 0 0 "[ . 1 . 2]" 1
247 1 25 PHE HA 1 27 ARG H . . 4.710 4.456 4.054 4.741 0.031 9 0 "[ . 1 . 2]" 1
248 1 25 PHE HA 1 28 ALA H . . 5.300 4.365 3.514 4.926 . 0 0 "[ . 1 . 2]" 1
249 1 25 PHE HB2 1 26 GLU H . . 4.070 2.743 2.130 3.666 . 0 0 "[ . 1 . 2]" 1
250 1 25 PHE HB3 1 26 GLU H . . 4.070 3.548 2.999 4.164 0.094 17 0 "[ . 1 . 2]" 1
251 1 25 PHE QR 1 26 GLU QG . . 6.000 5.027 3.851 5.575 . 0 0 "[ . 1 . 2]" 1
252 1 25 PHE QR 1 28 ALA MB . . 4.480 4.350 4.091 4.554 0.074 19 0 "[ . 1 . 2]" 1
253 1 26 GLU H 1 26 GLU HB2 . . 3.590 2.406 2.145 2.727 . 0 0 "[ . 1 . 2]" 1
254 1 26 GLU H 1 26 GLU QB . . 3.040 2.365 2.125 2.647 . 0 0 "[ . 1 . 2]" 1
255 1 26 GLU H 1 26 GLU HB3 . . 3.590 3.544 3.457 3.640 0.050 12 0 "[ . 1 . 2]" 1
256 1 26 GLU H 1 26 GLU QG . . 3.770 2.813 2.013 3.618 . 0 0 "[ . 1 . 2]" 1
257 1 26 GLU QB 1 30 PHE QE . . 4.150 4.139 4.070 4.196 0.046 1 0 "[ . 1 . 2]" 1
258 1 26 GLU HB2 1 27 ARG H . . 4.220 2.867 2.387 3.092 . 0 0 "[ . 1 . 2]" 1
259 1 26 GLU HB2 1 30 PHE QE . . 4.920 4.655 4.441 4.925 0.005 1 0 "[ . 1 . 2]" 1
260 1 26 GLU HB3 1 27 ARG H . . 4.220 3.481 3.128 4.121 . 0 0 "[ . 1 . 2]" 1
261 1 26 GLU HB3 1 30 PHE QE . . 4.920 4.689 4.392 4.930 0.010 19 0 "[ . 1 . 2]" 1
262 1 26 GLU QG 1 27 ARG H . . 4.700 4.250 3.715 4.478 . 0 0 "[ . 1 . 2]" 1
263 1 26 GLU QG 1 30 PHE QE . . 6.000 5.465 4.327 6.036 0.036 13 0 "[ . 1 . 2]" 1
264 1 27 ARG H 1 27 ARG HB2 . . 3.800 2.920 2.359 3.881 0.081 14 0 "[ . 1 . 2]" 1
265 1 27 ARG H 1 27 ARG QB . . 3.260 2.720 2.329 3.115 . 0 0 "[ . 1 . 2]" 1
266 1 27 ARG H 1 27 ARG HB3 . . 3.800 3.634 3.178 3.879 0.079 12 0 "[ . 1 . 2]" 1
267 1 27 ARG H 1 27 ARG QD . . 4.650 4.258 3.103 4.671 0.021 12 0 "[ . 1 . 2]" 1
268 1 27 ARG H 1 27 ARG QG . . 3.600 3.074 2.010 3.602 0.002 7 0 "[ . 1 . 2]" 1
269 1 27 ARG HA 1 27 ARG QD . . 4.000 3.228 2.097 4.014 0.014 14 0 "[ . 1 . 2]" 1
270 1 27 ARG HA 1 27 ARG QG . . 3.450 2.671 2.290 3.397 . 0 0 "[ . 1 . 2]" 1
271 1 27 ARG QB 1 27 ARG HE . . 4.780 3.321 2.101 4.189 . 0 0 "[ . 1 . 2]" 1
272 1 27 ARG HB2 1 27 ARG QD . . 3.880 2.805 2.007 3.509 . 0 0 "[ . 1 . 2]" 1
273 1 27 ARG HB3 1 27 ARG QD . . 3.880 2.620 2.149 3.510 . 0 0 "[ . 1 . 2]" 1
274 1 28 ALA H 1 28 ALA MB . . 3.140 2.466 2.027 2.905 . 0 0 "[ . 1 . 2]" 1
275 1 28 ALA H 1 29 THR H . . 3.700 2.869 2.626 3.167 . 0 0 "[ . 1 . 2]" 1
276 1 28 ALA HA 1 30 PHE H . . 4.930 4.219 3.091 4.952 0.022 20 0 "[ . 1 . 2]" 1
277 1 28 ALA MB 1 29 THR H . . 3.930 2.715 1.919 3.533 . 0 0 "[ . 1 . 2]" 1
278 1 28 ALA MB 1 30 PHE H . . 4.700 4.175 3.688 4.702 0.002 6 0 "[ . 1 . 2]" 1
279 1 28 ALA MB 1 30 PHE QD . . 4.750 4.694 4.002 4.825 0.075 19 0 "[ . 1 . 2]" 1
280 1 29 THR H 1 29 THR HB . . 3.840 2.593 2.414 2.736 . 0 0 "[ . 1 . 2]" 1
281 1 29 THR H 1 29 THR MG . . 4.110 2.366 2.158 3.808 . 0 0 "[ . 1 . 2]" 1
282 1 29 THR H 1 30 PHE H . . 3.560 2.357 2.062 2.667 . 0 0 "[ . 1 . 2]" 1
283 1 29 THR HA 1 29 THR HB . . 2.740 2.589 2.519 3.011 0.271 18 0 "[ . 1 . 2]" 1
284 1 29 THR HA 1 29 THR MG . . 3.520 3.088 2.129 3.200 . 0 0 "[ . 1 . 2]" 1
285 1 29 THR HB 1 30 PHE H . . 3.760 3.906 3.800 3.940 0.180 16 0 "[ . 1 . 2]" 1
286 1 29 THR MG 1 30 PHE H . . 4.490 2.366 2.059 4.251 . 0 0 "[ . 1 . 2]" 1
287 1 29 THR MG 1 30 PHE QD . . 4.560 3.052 1.986 4.576 0.016 19 0 "[ . 1 . 2]" 1
288 1 29 THR MG 1 30 PHE QE . . 4.570 3.689 3.316 4.621 0.051 19 0 "[ . 1 . 2]" 1
289 1 30 PHE H 1 30 PHE HB2 . . 4.180 3.229 2.706 3.889 . 0 0 "[ . 1 . 2]" 1
290 1 30 PHE H 1 30 PHE QB . . 3.450 2.811 2.630 3.042 . 0 0 "[ . 1 . 2]" 1
291 1 30 PHE H 1 30 PHE HB3 . . 4.180 3.369 2.882 3.811 . 0 0 "[ . 1 . 2]" 1
292 1 30 PHE HA 1 30 PHE QD . . 4.120 3.246 2.531 3.727 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, June 13, 2024 9:24:14 AM GMT (wattos1)