NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445048 |
2kiv   |
16297 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kiv
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 735
_Distance_constraint_stats_list.Viol_count 1419
_Distance_constraint_stats_list.Viol_total 832.923
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0293
_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 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.345 0.149 7 0 "[ . 1 . 2]"
1 16 THR 0.071 0.043 9 0 "[ . 1 . 2]"
1 17 VAL 0.962 0.140 7 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.142 0.043 9 0 "[ . 1 . 2]"
1 20 TRP 3.961 0.122 7 0 "[ . 1 . 2]"
1 21 LEU 0.187 0.034 10 0 "[ . 1 . 2]"
1 22 GLU 0.102 0.041 17 0 "[ . 1 . 2]"
1 23 SER 0.041 0.041 17 0 "[ . 1 . 2]"
1 24 ILE 0.361 0.035 15 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.211 0.040 18 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 0.228 0.097 15 0 "[ . 1 . 2]"
1 29 TYR 1.125 0.137 15 0 "[ . 1 . 2]"
1 30 GLU 0.153 0.036 11 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 HIS 0.291 0.058 20 0 "[ . 1 . 2]"
1 33 LEU 1.075 0.066 12 0 "[ . 1 . 2]"
1 34 MET 0.346 0.113 1 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 1.078 0.080 2 0 "[ . 1 . 2]"
1 37 GLY 1.054 0.100 2 0 "[ . 1 . 2]"
1 38 PHE 3.822 0.152 15 0 "[ . 1 . 2]"
1 39 ASP 0.387 0.113 1 0 "[ . 1 . 2]"
1 40 ASN 0.120 0.037 20 0 "[ . 1 . 2]"
1 41 VAL 1.658 0.149 7 0 "[ . 1 . 2]"
1 42 GLN 0.002 0.002 15 0 "[ . 1 . 2]"
1 43 ALA 1.354 0.143 7 0 "[ . 1 . 2]"
1 44 MET 0.663 0.092 7 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 MET 1.916 0.107 4 0 "[ . 1 . 2]"
1 50 GLU 0.298 0.048 4 0 "[ . 1 . 2]"
1 51 ASP 0.485 0.078 2 0 "[ . 1 . 2]"
1 52 GLN 0.072 0.029 4 0 "[ . 1 . 2]"
1 53 ASP 2.075 0.090 12 0 "[ . 1 . 2]"
1 54 LEU 0.517 0.152 2 0 "[ . 1 . 2]"
1 55 LEU 0.157 0.047 2 0 "[ . 1 . 2]"
1 56 GLU 1.111 0.152 2 0 "[ . 1 . 2]"
1 57 ILE 0.589 0.077 15 0 "[ . 1 . 2]"
1 58 GLY 0.225 0.027 20 0 "[ . 1 . 2]"
1 59 ILE 0.787 0.137 15 0 "[ . 1 . 2]"
1 60 LEU 0.253 0.122 16 0 "[ . 1 . 2]"
1 64 HIS 0.577 0.115 12 0 "[ . 1 . 2]"
1 65 ARG 0.514 0.066 20 0 "[ . 1 . 2]"
1 66 GLN 0.435 0.057 11 0 "[ . 1 . 2]"
1 67 ARG 0.095 0.031 8 0 "[ . 1 . 2]"
1 68 ILE 1.566 0.115 12 0 "[ . 1 . 2]"
1 69 LEU 0.647 0.078 3 0 "[ . 1 . 2]"
1 70 GLN 0.031 0.031 8 0 "[ . 1 . 2]"
1 71 ALA 0.075 0.048 19 0 "[ . 1 . 2]"
1 72 ILE 0.918 0.086 11 0 "[ . 1 . 2]"
1 73 GLN 0.065 0.048 19 0 "[ . 1 . 2]"
1 74 LEU 0.051 0.032 16 0 "[ . 1 . 2]"
1 75 LEU 1.111 0.101 16 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 SER 0.054 0.025 10 0 "[ . 1 . 2]"
1 91 VAL 1.004 0.110 10 0 "[ . 1 . 2]"
1 92 ALA 0.163 0.041 20 0 "[ . 1 . 2]"
1 93 GLU 0.054 0.025 10 0 "[ . 1 . 2]"
1 94 TRP 1.182 0.071 14 0 "[ . 1 . 2]"
1 95 LEU 3.734 0.119 20 0 "[ . 1 . 2]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 SER 0.025 0.021 6 0 "[ . 1 . 2]"
1 98 ILE 1.741 0.098 12 0 "[ . 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LEU 2.290 0.154 20 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASP 0.012 0.012 4 0 "[ . 1 . 2]"
1 103 TYR 1.700 0.125 14 0 "[ . 1 . 2]"
1 104 THR 1.155 0.107 8 0 "[ . 1 . 2]"
1 105 LYS 0.219 0.158 8 0 "[ . 1 . 2]"
1 106 ALA 0.213 0.158 8 0 "[ . 1 . 2]"
1 107 PHE 1.629 0.114 10 0 "[ . 1 . 2]"
1 108 LEU 1.006 0.107 8 0 "[ . 1 . 2]"
1 109 ILE 0.068 0.028 8 0 "[ . 1 . 2]"
1 110 ASN 0.685 0.115 3 0 "[ . 1 . 2]"
1 111 GLY 0.053 0.015 2 0 "[ . 1 . 2]"
1 112 TYR 4.073 0.187 10 0 "[ . 1 . 2]"
1 113 THR 0.284 0.040 3 0 "[ . 1 . 2]"
1 114 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 MET 0.187 0.042 6 0 "[ . 1 . 2]"
1 116 ASP 0.009 0.009 11 0 "[ . 1 . 2]"
1 117 LEU 0.286 0.057 19 0 "[ . 1 . 2]"
1 118 LEU 2.620 0.167 13 0 "[ . 1 . 2]"
1 120 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 1.275 0.167 13 0 "[ . 1 . 2]"
1 122 ALA 0.304 0.098 15 0 "[ . 1 . 2]"
1 124 VAL 0.027 0.012 15 0 "[ . 1 . 2]"
1 125 GLU 0.155 0.050 15 0 "[ . 1 . 2]"
1 126 LEU 1.246 0.115 19 0 "[ . 1 . 2]"
1 127 ILE 0.164 0.047 3 0 "[ . 1 . 2]"
1 128 ASN 0.432 0.115 19 0 "[ . 1 . 2]"
1 129 VAL 1.309 0.187 10 0 "[ . 1 . 2]"
1 130 LEU 2.185 0.115 3 0 "[ . 1 . 2]"
1 131 LYS 0.035 0.027 7 0 "[ . 1 . 2]"
1 132 ILE 2.403 0.135 12 0 "[ . 1 . 2]"
1 133 ASN 0.356 0.083 12 0 "[ . 1 . 2]"
1 134 LEU 1.398 0.100 2 0 "[ . 1 . 2]"
1 135 ILE 2.336 0.152 15 0 "[ . 1 . 2]"
1 136 GLY 1.756 0.143 7 0 "[ . 1 . 2]"
1 137 HIS 2.978 0.154 20 0 "[ . 1 . 2]"
1 138 ARG 0.658 0.112 10 0 "[ . 1 . 2]"
1 139 LYS 0.140 0.032 19 0 "[ . 1 . 2]"
1 140 ARG 0.638 0.080 17 0 "[ . 1 . 2]"
1 141 ILE 2.209 0.134 2 0 "[ . 1 . 2]"
1 142 LEU 0.755 0.105 10 0 "[ . 1 . 2]"
1 143 ALA 0.173 0.042 17 0 "[ . 1 . 2]"
1 144 SER 0.460 0.089 17 0 "[ . 1 . 2]"
1 145 LEU 1.122 0.134 2 0 "[ . 1 . 2]"
1 146 GLY 0.013 0.007 9 0 "[ . 1 . 2]"
1 147 ASP 0.013 0.007 9 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 14 VAL HA 1 15 GLN H . . 3.820 2.636 2.142 3.498 . 0 0 "[ . 1 . 2]" 1
2 1 14 VAL MG1 1 15 GLN H . . 4.490 3.290 2.086 4.119 . 0 0 "[ . 1 . 2]" 1
3 1 15 GLN HA 1 16 THR H . . 4.340 2.366 2.154 2.596 . 0 0 "[ . 1 . 2]" 1
4 1 15 GLN HG3 1 16 THR H . . 4.120 2.875 1.947 4.135 0.015 4 0 "[ . 1 . 2]" 1
5 1 15 GLN HB2 1 16 THR H . . 4.670 3.692 2.023 4.365 . 0 0 "[ . 1 . 2]" 1
6 1 17 VAL H 1 41 VAL H . . 5.160 3.259 2.568 3.504 . 0 0 "[ . 1 . 2]" 1
7 1 16 THR H 1 17 VAL H . . 5.220 4.317 4.114 4.435 . 0 0 "[ . 1 . 2]" 1
8 1 16 THR HA 1 17 VAL H . . 4.090 2.174 2.145 2.254 . 0 0 "[ . 1 . 2]" 1
9 1 16 THR MG 1 17 VAL H . . 3.550 2.535 2.169 3.543 . 0 0 "[ . 1 . 2]" 1
10 1 17 VAL H 1 41 VAL MG1 . . 5.270 4.777 2.951 5.141 . 0 0 "[ . 1 . 2]" 1
11 1 17 VAL H 1 41 VAL MG2 . . 5.250 2.516 2.253 4.704 . 0 0 "[ . 1 . 2]" 1
12 1 17 VAL HB 1 18 GLY H . . 5.130 2.648 2.413 2.871 . 0 0 "[ . 1 . 2]" 1
13 1 17 VAL MG1 1 18 GLY H . . 4.190 3.441 3.240 3.631 . 0 0 "[ . 1 . 2]" 1
14 1 18 GLY H 1 19 GLN H . . 3.540 2.815 2.652 2.948 . 0 0 "[ . 1 . 2]" 1
15 1 16 THR MG 1 19 GLN H . . 4.080 3.149 2.389 4.123 0.043 9 0 "[ . 1 . 2]" 1
16 1 19 GLN H 1 20 TRP H . . 3.650 2.741 2.643 2.888 . 0 0 "[ . 1 . 2]" 1
17 1 17 VAL HA 1 20 TRP H . . 3.850 3.740 3.620 3.893 0.043 7 0 "[ . 1 . 2]" 1
18 1 19 GLN HB2 1 20 TRP H . . 3.780 3.266 2.346 3.765 . 0 0 "[ . 1 . 2]" 1
19 1 20 TRP H 1 41 VAL MG1 . . 5.320 5.050 4.301 5.330 0.010 5 0 "[ . 1 . 2]" 1
20 1 20 TRP H 1 41 VAL MG2 . . 5.500 3.908 3.612 5.061 . 0 0 "[ . 1 . 2]" 1
21 1 20 TRP H 1 21 LEU H . . 3.530 2.841 2.691 3.000 . 0 0 "[ . 1 . 2]" 1
22 1 20 TRP HE3 1 21 LEU H . . 4.270 2.904 2.322 3.256 . 0 0 "[ . 1 . 2]" 1
23 1 20 TRP HA 1 21 LEU H . . 3.940 3.562 3.546 3.571 . 0 0 "[ . 1 . 2]" 1
24 1 17 VAL HA 1 21 LEU H . . 4.040 3.522 3.269 3.790 . 0 0 "[ . 1 . 2]" 1
25 1 20 TRP HB3 1 21 LEU H . . 4.070 2.404 2.226 2.582 . 0 0 "[ . 1 . 2]" 1
26 1 21 LEU H 1 22 GLU H . . 3.570 2.741 2.589 2.842 . 0 0 "[ . 1 . 2]" 1
27 1 20 TRP H 1 22 GLU H . . 4.320 4.140 3.879 4.330 0.010 17 0 "[ . 1 . 2]" 1
28 1 22 GLU H 1 23 SER H . . 3.300 2.589 2.390 2.737 . 0 0 "[ . 1 . 2]" 1
29 1 22 GLU H 1 24 ILE H . . 4.580 4.309 3.862 4.585 0.005 10 0 "[ . 1 . 2]" 1
30 1 21 LEU HA 1 22 GLU H . . 4.050 3.533 3.474 3.562 . 0 0 "[ . 1 . 2]" 1
31 1 21 LEU HB3 1 22 GLU H . . 4.820 2.583 2.320 2.916 . 0 0 "[ . 1 . 2]" 1
32 1 22 GLU H 1 24 ILE HG12 . . 4.570 4.454 4.270 4.605 0.035 15 0 "[ . 1 . 2]" 1
33 1 21 LEU H 1 23 SER H . . 4.400 4.071 3.785 4.304 . 0 0 "[ . 1 . 2]" 1
34 1 22 GLU HA 1 23 SER H . . 4.090 3.500 3.448 3.531 . 0 0 "[ . 1 . 2]" 1
35 1 22 GLU HB3 1 23 SER H . . 3.870 3.042 2.632 3.911 0.041 17 0 "[ . 1 . 2]" 1
36 1 23 SER H 1 24 ILE HG12 . . 5.180 3.922 3.769 4.119 . 0 0 "[ . 1 . 2]" 1
37 1 23 SER H 1 24 ILE MG . . 5.230 4.223 3.975 4.381 . 0 0 "[ . 1 . 2]" 1
38 1 24 ILE H 1 25 GLY H . . 2.800 2.468 2.092 2.697 . 0 0 "[ . 1 . 2]" 1
39 1 23 SER H 1 24 ILE H . . 3.320 2.613 2.376 2.784 . 0 0 "[ . 1 . 2]" 1
40 1 21 LEU HA 1 24 ILE H . . 4.100 3.583 3.473 3.656 . 0 0 "[ . 1 . 2]" 1
41 1 23 SER H 1 25 GLY H . . 4.130 3.734 3.586 3.822 . 0 0 "[ . 1 . 2]" 1
42 1 24 ILE HA 1 25 GLY H . . 4.080 3.469 3.434 3.503 . 0 0 "[ . 1 . 2]" 1
43 1 21 LEU HA 1 25 GLY H . . 4.610 3.939 3.498 4.146 . 0 0 "[ . 1 . 2]" 1
44 1 24 ILE HB 1 25 GLY H . . 4.930 3.972 3.865 4.021 . 0 0 "[ . 1 . 2]" 1
45 1 24 ILE HG13 1 25 GLY H . . 5.020 2.492 2.232 2.643 . 0 0 "[ . 1 . 2]" 1
46 1 24 ILE HG12 1 25 GLY H . . 5.210 2.832 2.527 3.629 . 0 0 "[ . 1 . 2]" 1
47 1 24 ILE MG 1 25 GLY H . . 4.780 3.974 3.858 4.085 . 0 0 "[ . 1 . 2]" 1
48 1 24 ILE MD 1 25 GLY H . . 5.020 4.002 3.801 4.130 . 0 0 "[ . 1 . 2]" 1
49 1 26 LEU H 1 29 TYR QD . . 4.640 4.150 2.854 4.680 0.040 18 0 "[ . 1 . 2]" 1
50 1 24 ILE MD 1 26 LEU H . . 5.400 5.253 4.989 5.434 0.034 5 0 "[ . 1 . 2]" 1
51 1 28 GLN H 1 29 TYR H . . 3.490 2.129 1.836 2.756 . 0 0 "[ . 1 . 2]" 1
52 1 27 PRO HA 1 28 GLN H . . 4.380 2.692 2.319 3.393 . 0 0 "[ . 1 . 2]" 1
53 1 29 TYR H 1 30 GLU H . . 3.490 2.143 1.872 2.595 . 0 0 "[ . 1 . 2]" 1
54 1 28 GLN HA 1 29 TYR H . . 4.190 3.418 3.119 3.553 . 0 0 "[ . 1 . 2]" 1
55 1 21 LEU MD1 1 29 TYR H . . 5.180 4.252 3.457 5.115 . 0 0 "[ . 1 . 2]" 1
56 1 30 GLU H 1 31 ASN H . . 4.460 2.881 2.713 3.069 . 0 0 "[ . 1 . 2]" 1
57 1 29 TYR HA 1 30 GLU H . . 3.860 3.278 3.054 3.456 . 0 0 "[ . 1 . 2]" 1
58 1 21 LEU MD2 1 30 GLU H . . 3.610 2.489 2.054 3.614 0.004 14 0 "[ . 1 . 2]" 1
59 1 33 LEU H 1 34 MET H . . 3.280 3.014 2.950 3.080 . 0 0 "[ . 1 . 2]" 1
60 1 32 HIS HA 1 33 LEU H . . 3.900 3.565 3.537 3.571 . 0 0 "[ . 1 . 2]" 1
61 1 30 GLU HA 1 33 LEU H . . 4.370 3.759 3.439 4.116 . 0 0 "[ . 1 . 2]" 1
62 1 32 HIS HB3 1 33 LEU H . . 3.940 2.889 2.682 3.214 . 0 0 "[ . 1 . 2]" 1
63 1 33 LEU H 1 57 ILE MG . . 4.860 3.576 3.217 3.918 . 0 0 "[ . 1 . 2]" 1
64 1 20 TRP HZ2 1 72 ILE H . . 4.170 2.772 2.281 3.173 . 0 0 "[ . 1 . 2]" 1
65 1 71 ALA MB 1 72 ILE H . . 4.670 2.285 1.999 2.710 . 0 0 "[ . 1 . 2]" 1
66 1 72 ILE H 1 75 LEU MD1 . . 5.150 4.195 3.932 4.567 . 0 0 "[ . 1 . 2]" 1
67 1 31 ASN HA 1 34 MET H . . 4.890 4.009 3.818 4.164 . 0 0 "[ . 1 . 2]" 1
68 1 33 LEU HA 1 34 MET H . . 3.970 3.571 3.569 3.573 . 0 0 "[ . 1 . 2]" 1
69 1 30 GLU HA 1 34 MET H . . 4.330 3.822 3.475 4.034 . 0 0 "[ . 1 . 2]" 1
70 1 34 MET H 1 35 ALA H . . 4.400 2.935 2.783 3.059 . 0 0 "[ . 1 . 2]" 1
71 1 31 ASN HA 1 35 ALA H . . 4.090 3.786 3.686 3.968 . 0 0 "[ . 1 . 2]" 1
72 1 34 MET HA 1 35 ALA H . . 4.440 3.564 3.541 3.571 . 0 0 "[ . 1 . 2]" 1
73 1 34 MET HB2 1 35 ALA H . . 4.070 3.195 2.348 3.828 . 0 0 "[ . 1 . 2]" 1
74 1 20 TRP HE1 1 75 LEU MD2 . . 4.130 2.560 1.923 4.231 0.101 16 0 "[ . 1 . 2]" 1
75 1 20 TRP HE1 1 75 LEU MD1 . . 4.180 2.596 1.905 3.714 . 0 0 "[ . 1 . 2]" 1
76 1 35 ALA H 1 36 ASN H . . 3.800 2.666 2.635 2.703 . 0 0 "[ . 1 . 2]" 1
77 1 34 MET H 1 36 ASN H . . 4.520 3.938 3.832 4.078 . 0 0 "[ . 1 . 2]" 1
78 1 36 ASN H 1 38 PHE H . . 3.800 3.387 3.258 3.490 . 0 0 "[ . 1 . 2]" 1
79 1 35 ALA HA 1 36 ASN H . . 3.660 3.455 3.424 3.482 . 0 0 "[ . 1 . 2]" 1
80 1 34 MET HA 1 36 ASN H . . 4.240 3.967 3.909 4.045 . 0 0 "[ . 1 . 2]" 1
81 1 35 ALA MB 1 36 ASN H . . 3.900 2.897 2.810 2.984 . 0 0 "[ . 1 . 2]" 1
82 1 36 ASN H 1 57 ILE MG . . 4.950 4.608 4.094 4.948 . 0 0 "[ . 1 . 2]" 1
83 1 36 ASN H 1 134 LEU MD1 . . 4.880 4.287 4.039 4.763 . 0 0 "[ . 1 . 2]" 1
84 1 37 GLY H 1 38 PHE H . . 3.320 2.772 2.671 2.828 . 0 0 "[ . 1 . 2]" 1
85 1 38 PHE H 1 39 ASP H . . 4.090 3.713 3.469 3.853 . 0 0 "[ . 1 . 2]" 1
86 1 34 MET HA 1 38 PHE H . . 4.740 3.648 3.488 3.923 . 0 0 "[ . 1 . 2]" 1
87 1 36 ASN HB3 1 38 PHE H . . 4.220 3.342 2.913 3.663 . 0 0 "[ . 1 . 2]" 1
88 1 38 PHE H 1 136 GLY HA2 . . 4.430 4.336 4.065 4.492 0.062 7 0 "[ . 1 . 2]" 1
89 1 55 LEU MD1 1 59 ILE H . . 5.170 4.168 3.268 5.150 . 0 0 "[ . 1 . 2]" 1
90 1 38 PHE HA 1 39 ASP H . . 4.450 2.479 2.400 2.625 . 0 0 "[ . 1 . 2]" 1
91 1 34 MET HA 1 39 ASP H . . 4.930 3.384 3.087 3.683 . 0 0 "[ . 1 . 2]" 1
92 1 38 PHE HB3 1 39 ASP H . . 4.750 4.269 4.228 4.310 . 0 0 "[ . 1 . 2]" 1
93 1 40 ASN H 1 41 VAL H . . 4.390 4.326 4.153 4.404 0.014 8 0 "[ . 1 . 2]" 1
94 1 38 PHE QD 1 40 ASN H . . 4.660 4.408 4.095 4.682 0.022 3 0 "[ . 1 . 2]" 1
95 1 39 ASP H 1 40 ASN H . . 3.000 2.106 1.981 2.358 . 0 0 "[ . 1 . 2]" 1
96 1 39 ASP HA 1 40 ASN H . . 4.190 3.432 3.349 3.469 . 0 0 "[ . 1 . 2]" 1
97 1 39 ASP HB2 1 40 ASN H . . 4.520 4.177 4.009 4.334 . 0 0 "[ . 1 . 2]" 1
98 1 36 ASN HD22 1 57 ILE HG12 . . 5.090 4.309 3.441 5.118 0.028 15 0 "[ . 1 . 2]" 1
99 1 17 VAL MG2 1 40 ASN H . . 4.980 3.209 2.668 3.438 . 0 0 "[ . 1 . 2]" 1
100 1 36 ASN HD22 1 57 ILE MD . . 5.380 4.574 2.897 5.391 0.011 19 0 "[ . 1 . 2]" 1
101 1 36 ASN HD22 1 134 LEU MD1 . . 5.500 4.686 4.035 5.516 0.016 4 0 "[ . 1 . 2]" 1
102 1 41 VAL H 1 42 GLN H . . 3.980 2.731 2.667 2.805 . 0 0 "[ . 1 . 2]" 1
103 1 40 ASN HA 1 41 VAL H . . 3.260 2.148 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
104 1 40 ASN HB2 1 41 VAL H . . 4.770 4.423 4.327 4.593 . 0 0 "[ . 1 . 2]" 1
105 1 40 ASN HB3 1 41 VAL H . . 4.560 3.951 3.552 4.206 . 0 0 "[ . 1 . 2]" 1
106 1 17 VAL MG2 1 41 VAL H . . 4.870 2.585 1.866 3.002 . 0 0 "[ . 1 . 2]" 1
107 1 42 GLN H 1 43 ALA H . . 4.180 2.704 2.650 2.813 . 0 0 "[ . 1 . 2]" 1
108 1 41 VAL HA 1 42 GLN H . . 4.760 3.476 3.435 3.527 . 0 0 "[ . 1 . 2]" 1
109 1 41 VAL HB 1 42 GLN H . . 4.360 2.979 2.671 4.024 . 0 0 "[ . 1 . 2]" 1
110 1 41 VAL MG2 1 42 GLN H . . 5.250 3.787 3.641 3.873 . 0 0 "[ . 1 . 2]" 1
111 1 43 ALA HA 1 45 GLY H . . 4.760 3.893 3.431 4.235 . 0 0 "[ . 1 . 2]" 1
112 1 49 MET HA 1 50 GLU H . . 2.840 2.246 2.143 2.449 . 0 0 "[ . 1 . 2]" 1
113 1 50 GLU H 1 53 ASP HB2 . . 3.880 3.008 2.114 3.428 . 0 0 "[ . 1 . 2]" 1
114 1 50 GLU H 1 53 ASP HB3 . . 4.790 4.418 3.474 4.819 0.029 4 0 "[ . 1 . 2]" 1
115 1 51 ASP H 1 53 ASP H . . 4.730 4.565 4.107 4.808 0.078 2 0 "[ . 1 . 2]" 1
116 1 50 GLU HA 1 51 ASP H . . 3.260 2.514 2.210 2.742 . 0 0 "[ . 1 . 2]" 1
117 1 50 GLU HB3 1 51 ASP H . . 3.760 2.505 1.947 3.364 . 0 0 "[ . 1 . 2]" 1
118 1 50 GLU HB2 1 51 ASP H . . 4.730 3.678 3.327 4.207 . 0 0 "[ . 1 . 2]" 1
119 1 51 ASP H 1 69 LEU MD1 . . 4.960 4.028 2.708 4.688 . 0 0 "[ . 1 . 2]" 1
120 1 51 ASP H 1 69 LEU MD2 . . 4.610 3.023 2.624 3.396 . 0 0 "[ . 1 . 2]" 1
121 1 52 GLN H 1 53 ASP H . . 3.140 2.905 2.712 3.032 . 0 0 "[ . 1 . 2]" 1
122 1 50 GLU HB3 1 52 GLN H . . 3.440 2.750 2.356 3.296 . 0 0 "[ . 1 . 2]" 1
123 1 50 GLU H 1 53 ASP H . . 4.420 3.617 2.983 4.236 . 0 0 "[ . 1 . 2]" 1
124 1 52 GLN HB2 1 53 ASP H . . 4.370 2.752 2.133 3.703 . 0 0 "[ . 1 . 2]" 1
125 1 50 GLU H 1 54 LEU H . . 4.580 3.937 3.283 4.492 . 0 0 "[ . 1 . 2]" 1
126 1 54 LEU H 1 56 GLU H . . 4.650 4.021 3.805 4.389 . 0 0 "[ . 1 . 2]" 1
127 1 54 LEU H 1 55 LEU H . . 3.210 2.828 2.694 2.960 . 0 0 "[ . 1 . 2]" 1
128 1 53 ASP HA 1 54 LEU H . . 3.930 3.551 3.520 3.572 . 0 0 "[ . 1 . 2]" 1
129 1 51 ASP HA 1 54 LEU H . . 4.070 3.605 3.362 4.020 . 0 0 "[ . 1 . 2]" 1
130 1 53 ASP HB2 1 54 LEU H . . 3.530 2.391 1.963 2.705 . 0 0 "[ . 1 . 2]" 1
131 1 53 ASP HB3 1 54 LEU H . . 3.900 3.710 3.360 3.926 0.026 10 0 "[ . 1 . 2]" 1
132 1 55 LEU H 1 56 GLU H . . 3.540 2.388 2.214 2.549 . 0 0 "[ . 1 . 2]" 1
133 1 53 ASP HA 1 55 LEU H . . 4.720 4.266 3.918 4.723 0.003 2 0 "[ . 1 . 2]" 1
134 1 51 ASP HA 1 55 LEU H . . 4.580 3.872 3.625 4.060 . 0 0 "[ . 1 . 2]" 1
135 1 54 LEU MD1 1 55 LEU H . . 4.800 3.840 2.998 4.341 . 0 0 "[ . 1 . 2]" 1
136 1 56 GLU H 1 57 ILE H . . 4.100 2.551 2.436 2.728 . 0 0 "[ . 1 . 2]" 1
137 1 53 ASP HA 1 56 GLU H . . 4.310 3.186 3.011 3.372 . 0 0 "[ . 1 . 2]" 1
138 1 55 LEU HB2 1 56 GLU H . . 4.670 3.831 3.162 4.222 . 0 0 "[ . 1 . 2]" 1
139 1 55 LEU HB3 1 56 GLU H . . 3.090 2.919 2.482 3.137 0.047 2 0 "[ . 1 . 2]" 1
140 1 54 LEU MD1 1 56 GLU H . . 5.180 5.114 4.725 5.332 0.152 2 0 "[ . 1 . 2]" 1
141 1 56 GLU HA 1 57 ILE H . . 3.760 3.488 3.409 3.518 . 0 0 "[ . 1 . 2]" 1
142 1 56 GLU HB3 1 57 ILE H . . 4.050 2.957 2.724 3.577 . 0 0 "[ . 1 . 2]" 1
143 1 56 GLU HB2 1 57 ILE H . . 3.900 3.746 2.775 3.971 0.071 12 0 "[ . 1 . 2]" 1
144 1 58 GLY H 1 59 ILE H . . 3.390 2.117 1.875 3.036 . 0 0 "[ . 1 . 2]" 1
145 1 57 ILE H 1 58 GLY H . . 3.250 3.043 2.607 3.213 . 0 0 "[ . 1 . 2]" 1
146 1 32 HIS HD2 1 58 GLY H . . 4.810 4.170 3.607 4.666 . 0 0 "[ . 1 . 2]" 1
147 1 57 ILE HB 1 58 GLY H . . 5.140 2.021 1.935 2.458 . 0 0 "[ . 1 . 2]" 1
148 1 57 ILE MG 1 58 GLY H . . 4.680 2.645 2.436 3.107 . 0 0 "[ . 1 . 2]" 1
149 1 55 LEU MD1 1 58 GLY H . . 5.110 4.974 4.263 5.133 0.023 16 0 "[ . 1 . 2]" 1
150 1 58 GLY H 1 59 ILE MD . . 5.150 3.086 1.918 4.014 . 0 0 "[ . 1 . 2]" 1
151 1 29 TYR QE 1 60 LEU H . . 4.890 4.283 2.026 5.012 0.122 16 0 "[ . 1 . 2]" 1
152 1 59 ILE HA 1 60 LEU H . . 4.310 2.526 2.140 3.468 . 0 0 "[ . 1 . 2]" 1
153 1 59 ILE MG 1 60 LEU H . . 5.430 3.132 1.893 4.179 . 0 0 "[ . 1 . 2]" 1
154 1 64 HIS H 1 65 ARG H . . 3.320 2.237 1.900 2.674 . 0 0 "[ . 1 . 2]" 1
155 1 64 HIS HA 1 65 ARG H . . 4.050 3.365 3.075 3.569 . 0 0 "[ . 1 . 2]" 1
156 1 64 HIS HB2 1 65 ARG H . . 4.310 3.755 2.343 4.341 0.031 18 0 "[ . 1 . 2]" 1
157 1 54 LEU MD1 1 65 ARG H . . 5.480 4.329 3.444 5.498 0.018 9 0 "[ . 1 . 2]" 1
158 1 66 GLN H 1 67 ARG H . . 3.610 2.752 2.599 2.890 . 0 0 "[ . 1 . 2]" 1
159 1 64 HIS HA 1 66 GLN H . . 4.540 4.433 4.003 4.588 0.048 4 0 "[ . 1 . 2]" 1
160 1 65 ARG HA 1 66 GLN H . . 4.090 3.566 3.528 3.572 . 0 0 "[ . 1 . 2]" 1
161 1 67 ARG H 1 68 ILE H . . 3.510 2.963 2.754 3.125 . 0 0 "[ . 1 . 2]" 1
162 1 64 HIS HA 1 68 ILE H . . 4.570 4.071 3.672 4.242 . 0 0 "[ . 1 . 2]" 1
163 1 67 ARG HA 1 68 ILE H . . 4.030 3.569 3.561 3.571 . 0 0 "[ . 1 . 2]" 1
164 1 67 ARG HB3 1 68 ILE H . . 3.530 2.486 1.950 3.381 . 0 0 "[ . 1 . 2]" 1
165 1 24 ILE MD 1 68 ILE H . . 4.860 4.139 3.759 4.614 . 0 0 "[ . 1 . 2]" 1
166 1 69 LEU H 1 70 GLN H . . 3.920 2.927 2.722 3.060 . 0 0 "[ . 1 . 2]" 1
167 1 68 ILE H 1 69 LEU H . . 3.620 2.749 2.658 2.886 . 0 0 "[ . 1 . 2]" 1
168 1 69 LEU H 1 71 ALA H . . 4.540 3.996 3.696 4.373 . 0 0 "[ . 1 . 2]" 1
169 1 65 ARG HA 1 69 LEU H . . 4.440 4.028 3.786 4.225 . 0 0 "[ . 1 . 2]" 1
170 1 68 ILE HA 1 69 LEU H . . 4.120 3.529 3.478 3.567 . 0 0 "[ . 1 . 2]" 1
171 1 54 LEU MD2 1 69 LEU H . . 4.440 3.334 2.750 4.356 . 0 0 "[ . 1 . 2]" 1
172 1 71 ALA H 1 72 ILE H . . 3.450 2.836 2.581 3.046 . 0 0 "[ . 1 . 2]" 1
173 1 70 GLN H 1 71 ALA H . . 3.340 2.740 2.626 2.869 . 0 0 "[ . 1 . 2]" 1
174 1 71 ALA H 1 73 GLN H . . 4.040 3.803 3.605 4.088 0.048 19 0 "[ . 1 . 2]" 1
175 1 70 GLN HA 1 71 ALA H . . 4.370 3.523 3.481 3.561 . 0 0 "[ . 1 . 2]" 1
176 1 68 ILE HA 1 71 ALA H . . 4.020 3.632 3.478 3.807 . 0 0 "[ . 1 . 2]" 1
177 1 72 ILE H 1 73 GLN H . . 3.290 2.661 2.340 2.756 . 0 0 "[ . 1 . 2]" 1
178 1 72 ILE H 1 74 LEU H . . 4.380 4.178 3.905 4.412 0.032 16 0 "[ . 1 . 2]" 1
179 1 73 GLN H 1 74 LEU H . . 3.270 2.416 2.115 2.701 . 0 0 "[ . 1 . 2]" 1
180 1 73 GLN HB2 1 74 LEU H . . 4.350 3.771 2.859 4.287 . 0 0 "[ . 1 . 2]" 1
181 1 74 LEU HA 1 75 LEU H . . 3.830 3.437 3.314 3.570 . 0 0 "[ . 1 . 2]" 1
182 1 36 ASN H 1 37 GLY H . . 3.040 2.645 2.540 2.696 . 0 0 "[ . 1 . 2]" 1
183 1 36 ASN HA 1 37 GLY H . . 4.320 3.079 3.036 3.184 . 0 0 "[ . 1 . 2]" 1
184 1 35 ALA HA 1 37 GLY H . . 4.180 3.506 3.445 3.597 . 0 0 "[ . 1 . 2]" 1
185 1 34 MET HA 1 37 GLY H . . 4.660 3.903 3.657 4.065 . 0 0 "[ . 1 . 2]" 1
186 1 36 ASN HB3 1 37 GLY H . . 4.290 4.121 3.873 4.300 0.010 10 0 "[ . 1 . 2]" 1
187 1 16 THR H 1 19 GLN H . . 4.660 4.276 4.002 4.594 . 0 0 "[ . 1 . 2]" 1
188 1 16 THR H 1 20 TRP H . . 5.280 3.823 3.427 4.224 . 0 0 "[ . 1 . 2]" 1
189 1 18 GLY H 1 20 TRP H . . 4.880 4.376 4.105 4.600 . 0 0 "[ . 1 . 2]" 1
190 1 16 THR HB 1 18 GLY H . . 4.510 3.412 2.723 3.860 . 0 0 "[ . 1 . 2]" 1
191 1 16 THR HA 1 18 GLY H . . 4.390 4.041 3.808 4.354 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL H 1 19 GLN H . . 4.760 4.515 4.216 4.784 0.024 11 0 "[ . 1 . 2]" 1
193 1 18 GLY HA2 1 19 GLN H . . 4.120 3.555 3.525 3.570 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU H 1 41 VAL MG2 . . 5.160 4.812 4.400 5.167 0.007 7 0 "[ . 1 . 2]" 1
195 1 21 LEU H 1 24 ILE MD . . 5.500 4.287 3.925 4.492 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU MD2 1 22 GLU H . . 4.810 4.129 2.729 4.642 . 0 0 "[ . 1 . 2]" 1
197 1 22 GLU H 1 25 GLY H . . 4.950 4.588 4.350 4.765 . 0 0 "[ . 1 . 2]" 1
198 1 30 GLU H 1 32 HIS H . . 4.940 4.349 4.112 4.702 . 0 0 "[ . 1 . 2]" 1
199 1 32 HIS H 1 33 LEU H . . 5.050 2.869 2.713 3.060 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU MD1 1 33 LEU H . . 5.480 5.165 4.087 5.491 0.011 3 0 "[ . 1 . 2]" 1
201 1 35 ALA H 1 37 GLY H . . 4.370 4.246 4.076 4.327 . 0 0 "[ . 1 . 2]" 1
202 1 35 ALA MB 1 37 GLY H . . 4.710 4.263 4.225 4.285 . 0 0 "[ . 1 . 2]" 1
203 1 37 GLY H 1 134 LEU MD2 . . 4.280 3.051 2.681 3.481 . 0 0 "[ . 1 . 2]" 1
204 1 40 ASN H 1 43 ALA MB . . 4.560 3.390 2.997 3.734 . 0 0 "[ . 1 . 2]" 1
205 1 41 VAL H 1 43 ALA H . . 5.020 4.342 4.223 4.567 . 0 0 "[ . 1 . 2]" 1
206 1 42 GLN HG2 1 43 ALA H . . 4.730 4.411 2.470 4.732 0.002 15 0 "[ . 1 . 2]" 1
207 1 70 GLN HB3 1 71 ALA H . . 4.560 3.008 2.341 3.975 . 0 0 "[ . 1 . 2]" 1
208 1 42 GLN HB2 1 43 ALA H . . 4.790 3.536 2.785 4.186 . 0 0 "[ . 1 . 2]" 1
209 1 41 VAL HA 1 43 ALA H . . 4.530 3.789 3.577 4.089 . 0 0 "[ . 1 . 2]" 1
210 1 132 ILE MG 1 138 ARG H . . 5.110 2.728 2.316 3.156 . 0 0 "[ . 1 . 2]" 1
211 1 137 HIS HB2 1 138 ARG H . . 4.940 2.421 2.198 2.766 . 0 0 "[ . 1 . 2]" 1
212 1 137 HIS HB3 1 138 ARG H . . 4.880 3.460 3.105 3.821 . 0 0 "[ . 1 . 2]" 1
213 1 50 GLU H 1 72 ILE MG . . 5.500 4.902 4.273 5.431 . 0 0 "[ . 1 . 2]" 1
214 1 50 GLU H 1 69 LEU MD2 . . 5.020 4.804 3.772 5.053 0.033 20 0 "[ . 1 . 2]" 1
215 1 52 GLN H 1 69 LEU MD2 . . 5.380 5.135 4.757 5.409 0.029 4 0 "[ . 1 . 2]" 1
216 1 56 GLU H 1 135 ILE MD . . 4.250 3.810 3.376 4.205 . 0 0 "[ . 1 . 2]" 1
217 1 54 LEU MD1 1 57 ILE H . . 5.440 4.808 4.448 5.291 . 0 0 "[ . 1 . 2]" 1
218 1 57 ILE H 1 59 ILE MD . . 5.500 4.782 3.560 5.510 0.010 20 0 "[ . 1 . 2]" 1
219 1 54 LEU MD1 1 59 ILE H . . 5.410 4.040 3.327 4.746 . 0 0 "[ . 1 . 2]" 1
220 1 65 ARG HG3 1 66 GLN H . . 4.660 4.258 1.956 4.717 0.057 11 0 "[ . 1 . 2]" 1
221 1 67 ARG H 1 69 LEU H . . 4.450 4.040 3.820 4.338 . 0 0 "[ . 1 . 2]" 1
222 1 67 ARG H 1 70 GLN H . . 5.020 4.823 4.611 5.051 0.031 8 0 "[ . 1 . 2]" 1
223 1 64 HIS HA 1 67 ARG H . . 4.200 3.277 3.130 3.601 . 0 0 "[ . 1 . 2]" 1
224 1 65 ARG HA 1 67 ARG H . . 4.880 4.460 4.131 4.788 . 0 0 "[ . 1 . 2]" 1
225 1 66 GLN HB3 1 67 ARG H . . 3.170 2.922 2.427 3.192 0.022 11 0 "[ . 1 . 2]" 1
226 1 24 ILE MG 1 71 ALA H . . 5.000 4.708 4.242 5.006 0.006 5 0 "[ . 1 . 2]" 1
227 1 24 ILE MD 1 71 ALA H . . 5.000 4.594 4.205 5.004 0.004 1 0 "[ . 1 . 2]" 1
228 1 76 PRO HB2 1 77 LYS H . . 5.070 3.255 2.057 4.264 . 0 0 "[ . 1 . 2]" 1
229 1 78 MET H 1 79 ARG H . . 4.710 3.584 1.943 4.630 . 0 0 "[ . 1 . 2]" 1
230 1 77 LYS H 1 78 MET H . . 4.880 3.416 1.939 4.585 . 0 0 "[ . 1 . 2]" 1
231 1 78 MET HB2 1 79 ARG H . . 4.700 3.779 1.984 4.541 . 0 0 "[ . 1 . 2]" 1
232 1 81 ILE HA 1 82 GLY H . . 3.970 2.709 2.154 3.531 . 0 0 "[ . 1 . 2]" 1
233 1 81 ILE HB 1 82 GLY H . . 5.500 3.603 2.105 4.615 . 0 0 "[ . 1 . 2]" 1
234 1 81 ILE MG 1 82 GLY H . . 4.970 3.457 2.217 4.128 . 0 0 "[ . 1 . 2]" 1
235 1 90 SER H 1 93 GLU HG2 . . 4.740 4.302 3.277 4.761 0.021 10 0 "[ . 1 . 2]" 1
236 1 90 SER H 1 93 GLU HB2 . . 3.980 2.997 2.171 4.005 0.025 10 0 "[ . 1 . 2]" 1
237 1 90 SER HA 1 91 VAL H . . 3.560 2.454 2.174 2.578 . 0 0 "[ . 1 . 2]" 1
238 1 90 SER HB3 1 92 ALA H . . 3.720 2.787 2.527 3.480 . 0 0 "[ . 1 . 2]" 1
239 1 90 SER HB2 1 92 ALA H . . 4.540 3.697 2.748 4.512 . 0 0 "[ . 1 . 2]" 1
240 1 91 VAL HB 1 92 ALA H . . 3.690 2.653 2.402 2.802 . 0 0 "[ . 1 . 2]" 1
241 1 92 ALA H 1 104 THR MG . . 4.930 3.234 2.376 3.935 . 0 0 "[ . 1 . 2]" 1
242 1 91 VAL MG1 1 92 ALA H . . 4.320 3.627 3.374 3.740 . 0 0 "[ . 1 . 2]" 1
243 1 92 ALA H 1 95 LEU MD1 . . 5.500 4.898 4.380 5.181 . 0 0 "[ . 1 . 2]" 1
244 1 92 ALA H 1 93 GLU H . . 3.770 2.936 2.671 3.154 . 0 0 "[ . 1 . 2]" 1
245 1 92 ALA MB 1 93 GLU H . . 3.680 2.123 1.919 2.674 . 0 0 "[ . 1 . 2]" 1
246 1 93 GLU H 1 94 TRP H . . 3.830 2.715 2.535 2.851 . 0 0 "[ . 1 . 2]" 1
247 1 93 GLU HA 1 94 TRP H . . 4.210 3.471 3.364 3.548 . 0 0 "[ . 1 . 2]" 1
248 1 94 TRP H 1 115 MET ME . . 4.950 4.779 4.309 4.963 0.013 9 0 "[ . 1 . 2]" 1
249 1 94 TRP H 1 95 LEU H . . 3.630 2.714 2.315 3.046 . 0 0 "[ . 1 . 2]" 1
250 1 95 LEU H 1 96 ASP H . . 3.490 2.550 2.247 2.746 . 0 0 "[ . 1 . 2]" 1
251 1 95 LEU H 1 97 SER H . . 4.460 4.174 3.655 4.481 0.021 6 0 "[ . 1 . 2]" 1
252 1 94 TRP HE3 1 95 LEU H . . 3.870 3.300 2.816 3.618 . 0 0 "[ . 1 . 2]" 1
253 1 91 VAL HA 1 95 LEU H . . 3.920 3.839 3.544 3.997 0.077 14 0 "[ . 1 . 2]" 1
254 1 94 TRP HB3 1 95 LEU H . . 4.290 2.493 2.197 2.837 . 0 0 "[ . 1 . 2]" 1
255 1 96 ASP H 1 98 ILE H . . 4.860 4.041 3.898 4.179 . 0 0 "[ . 1 . 2]" 1
256 1 95 LEU HA 1 96 ASP H . . 4.060 3.474 3.424 3.544 . 0 0 "[ . 1 . 2]" 1
257 1 95 LEU HB3 1 96 ASP H . . 4.200 3.646 3.294 3.964 . 0 0 "[ . 1 . 2]" 1
258 1 95 LEU HB2 1 96 ASP H . . 3.720 2.987 2.660 3.203 . 0 0 "[ . 1 . 2]" 1
259 1 96 ASP H 1 97 SER H . . 3.330 2.679 2.497 2.860 . 0 0 "[ . 1 . 2]" 1
260 1 97 SER H 1 98 ILE H . . 3.670 2.381 2.053 2.697 . 0 0 "[ . 1 . 2]" 1
261 1 99 GLU HA 1 100 LEU H . . 3.590 3.109 2.775 3.569 . 0 0 "[ . 1 . 2]" 1
262 1 96 ASP HB2 1 97 SER H . . 4.270 3.926 3.685 4.168 . 0 0 "[ . 1 . 2]" 1
263 1 96 ASP HB3 1 97 SER H . . 4.050 2.996 2.530 3.487 . 0 0 "[ . 1 . 2]" 1
264 1 95 LEU MD2 1 100 LEU H . . 4.430 4.028 3.605 4.453 0.023 10 0 "[ . 1 . 2]" 1
265 1 98 ILE H 1 99 GLU H . . 3.240 2.568 1.923 2.879 . 0 0 "[ . 1 . 2]" 1
266 1 97 SER HA 1 98 ILE H . . 4.020 3.279 3.022 3.441 . 0 0 "[ . 1 . 2]" 1
267 1 95 LEU HA 1 98 ILE H . . 4.230 3.282 2.835 3.635 . 0 0 "[ . 1 . 2]" 1
268 1 95 LEU MD2 1 98 ILE H . . 5.230 4.542 3.840 5.121 . 0 0 "[ . 1 . 2]" 1
269 1 99 GLU H 1 100 LEU H . . 3.130 2.579 1.853 2.968 . 0 0 "[ . 1 . 2]" 1
270 1 98 ILE MG 1 99 GLU H . . 4.500 3.712 2.462 4.320 . 0 0 "[ . 1 . 2]" 1
271 1 95 LEU MD2 1 101 GLY H . . 5.440 4.702 2.745 5.420 . 0 0 "[ . 1 . 2]" 1
272 1 102 ASP HA 1 103 TYR H . . 3.940 3.529 3.497 3.552 . 0 0 "[ . 1 . 2]" 1
273 1 102 ASP HB2 1 103 TYR H . . 4.710 3.154 2.507 3.975 . 0 0 "[ . 1 . 2]" 1
274 1 102 ASP HB3 1 103 TYR H . . 3.810 3.256 2.543 3.822 0.012 4 0 "[ . 1 . 2]" 1
275 1 95 LEU MD1 1 103 TYR H . . 4.110 3.713 3.369 4.079 . 0 0 "[ . 1 . 2]" 1
276 1 104 THR H 1 105 LYS H . . 4.180 2.843 2.803 2.895 . 0 0 "[ . 1 . 2]" 1
277 1 103 TYR HA 1 104 THR H . . 4.210 3.485 3.453 3.513 . 0 0 "[ . 1 . 2]" 1
278 1 102 ASP HA 1 104 THR H . . 4.440 3.865 3.743 4.039 . 0 0 "[ . 1 . 2]" 1
279 1 103 TYR HB3 1 104 THR H . . 4.630 3.531 3.393 3.649 . 0 0 "[ . 1 . 2]" 1
280 1 95 LEU MD1 1 104 THR H . . 4.590 2.802 2.380 3.163 . 0 0 "[ . 1 . 2]" 1
281 1 95 LEU MD2 1 104 THR H . . 5.500 4.567 4.018 4.871 . 0 0 "[ . 1 . 2]" 1
282 1 104 THR HA 1 105 LYS H . . 4.030 3.517 3.498 3.540 . 0 0 "[ . 1 . 2]" 1
283 1 105 LYS H 1 106 ALA H . . 3.790 2.803 2.672 2.899 . 0 0 "[ . 1 . 2]" 1
284 1 105 LYS HB3 1 106 ALA H . . 3.450 2.418 2.191 3.608 0.158 8 0 "[ . 1 . 2]" 1
285 1 106 ALA H 1 109 ILE MD . . 5.150 4.120 3.974 4.232 . 0 0 "[ . 1 . 2]" 1
286 1 106 ALA H 1 130 LEU MD1 . . 5.080 4.567 4.271 4.955 . 0 0 "[ . 1 . 2]" 1
287 1 107 PHE H 1 109 ILE H . . 4.690 4.622 4.476 4.698 0.008 15 0 "[ . 1 . 2]" 1
288 1 107 PHE H 1 108 LEU H . . 3.160 2.796 2.733 2.847 . 0 0 "[ . 1 . 2]" 1
289 1 106 ALA H 1 107 PHE H . . 3.150 2.756 2.684 2.873 . 0 0 "[ . 1 . 2]" 1
290 1 106 ALA MB 1 107 PHE H . . 3.840 2.456 2.315 2.568 . 0 0 "[ . 1 . 2]" 1
291 1 95 LEU MD1 1 107 PHE H . . 4.720 4.433 4.150 4.712 . 0 0 "[ . 1 . 2]" 1
292 1 108 LEU H 1 109 ILE H . . 3.380 2.888 2.793 2.937 . 0 0 "[ . 1 . 2]" 1
293 1 108 LEU H 1 110 ASN H . . 4.250 3.827 3.761 3.901 . 0 0 "[ . 1 . 2]" 1
294 1 107 PHE HB2 1 108 LEU H . . 3.550 2.723 2.615 2.810 . 0 0 "[ . 1 . 2]" 1
295 1 104 THR MG 1 108 LEU H . . 3.740 3.777 3.745 3.847 0.107 8 0 "[ . 1 . 2]" 1
296 1 108 LEU HA 1 109 ILE H . . 3.850 3.570 3.568 3.571 . 0 0 "[ . 1 . 2]" 1
297 1 109 ILE H 1 110 ASN H . . 3.200 2.727 2.670 2.794 . 0 0 "[ . 1 . 2]" 1
298 1 107 PHE HA 1 110 ASN H . . 4.060 3.681 3.536 3.828 . 0 0 "[ . 1 . 2]" 1
299 1 109 ILE HG12 1 110 ASN H . . 3.780 2.658 2.535 2.839 . 0 0 "[ . 1 . 2]" 1
300 1 109 ILE MD 1 110 ASN H . . 4.440 3.985 3.926 4.105 . 0 0 "[ . 1 . 2]" 1
301 1 109 ILE H 1 111 GLY H . . 4.530 4.192 4.072 4.308 . 0 0 "[ . 1 . 2]" 1
302 1 111 GLY H 1 112 TYR H . . 3.330 2.072 1.894 2.361 . 0 0 "[ . 1 . 2]" 1
303 1 110 ASN H 1 111 GLY H . . 3.730 2.483 2.385 2.569 . 0 0 "[ . 1 . 2]" 1
304 1 110 ASN HA 1 111 GLY H . . 4.840 3.475 3.411 3.518 . 0 0 "[ . 1 . 2]" 1
305 1 108 LEU HA 1 111 GLY H . . 4.410 3.416 3.238 3.543 . 0 0 "[ . 1 . 2]" 1
306 1 110 ASN HB2 1 111 GLY H . . 4.450 3.235 2.949 3.850 . 0 0 "[ . 1 . 2]" 1
307 1 110 ASN HB3 1 111 GLY H . . 4.880 3.465 2.731 3.768 . 0 0 "[ . 1 . 2]" 1
308 1 112 TYR H 1 113 THR H . . 4.670 3.723 2.488 4.245 . 0 0 "[ . 1 . 2]" 1
309 1 110 ASN H 1 112 TYR H . . 4.200 3.852 3.591 4.244 0.044 3 0 "[ . 1 . 2]" 1
310 1 108 LEU HA 1 112 TYR H . . 3.630 3.273 2.828 3.674 0.044 14 0 "[ . 1 . 2]" 1
311 1 110 ASN HB3 1 112 TYR H . . 4.400 3.768 2.746 4.252 . 0 0 "[ . 1 . 2]" 1
312 1 113 THR H 1 114 SER H . . 3.440 2.409 1.925 3.110 . 0 0 "[ . 1 . 2]" 1
313 1 111 GLY HA2 1 113 THR H . . 4.930 4.309 3.104 4.945 0.015 2 0 "[ . 1 . 2]" 1
314 1 113 THR H 1 117 LEU MD1 . . 4.520 3.167 1.934 4.509 . 0 0 "[ . 1 . 2]" 1
315 1 91 VAL MG2 1 113 THR H . . 4.780 4.125 3.716 4.731 . 0 0 "[ . 1 . 2]" 1
316 1 113 THR H 1 117 LEU MD2 . . 4.830 4.306 2.452 4.870 0.040 3 0 "[ . 1 . 2]" 1
317 1 117 LEU H 1 118 LEU H . . 2.890 2.724 2.650 2.880 . 0 0 "[ . 1 . 2]" 1
318 1 116 ASP HB2 1 117 LEU H . . 3.660 2.999 2.455 3.669 0.009 11 0 "[ . 1 . 2]" 1
319 1 118 LEU H 1 145 LEU MD2 . . 5.170 4.619 4.234 5.065 . 0 0 "[ . 1 . 2]" 1
320 1 120 LYS HA 1 121 ILE H . . 4.380 3.119 2.666 3.549 . 0 0 "[ . 1 . 2]" 1
321 1 122 ALA H 1 126 LEU H . . 4.480 4.060 3.777 4.329 . 0 0 "[ . 1 . 2]" 1
322 1 122 ALA H 1 125 GLU H . . 4.070 3.529 3.233 3.836 . 0 0 "[ . 1 . 2]" 1
323 1 121 ILE HA 1 122 ALA H . . 2.900 2.297 2.154 2.620 . 0 0 "[ . 1 . 2]" 1
324 1 122 ALA H 1 125 GLU HB3 . . 3.720 3.125 2.172 3.420 . 0 0 "[ . 1 . 2]" 1
325 1 122 ALA H 1 125 GLU HG3 . . 4.310 2.746 1.971 4.285 . 0 0 "[ . 1 . 2]" 1
326 1 122 ALA H 1 125 GLU HB2 . . 4.760 1.985 1.935 2.150 . 0 0 "[ . 1 . 2]" 1
327 1 121 ILE HB 1 122 ALA H . . 4.150 3.039 1.948 4.248 0.098 15 0 "[ . 1 . 2]" 1
328 1 122 ALA H 1 124 VAL MG1 . . 5.260 4.230 3.837 4.864 . 0 0 "[ . 1 . 2]" 1
329 1 121 ILE MG 1 122 ALA H . . 4.340 3.316 2.304 3.756 . 0 0 "[ . 1 . 2]" 1
330 1 121 ILE MD 1 122 ALA H . . 4.390 4.079 3.123 4.422 0.032 14 0 "[ . 1 . 2]" 1
331 1 124 VAL H 1 125 GLU H . . 3.310 2.837 2.595 2.894 . 0 0 "[ . 1 . 2]" 1
332 1 125 GLU H 1 126 LEU H . . 3.050 2.760 2.637 3.012 . 0 0 "[ . 1 . 2]" 1
333 1 124 VAL MG1 1 125 GLU H . . 3.540 1.986 1.921 2.190 . 0 0 "[ . 1 . 2]" 1
334 1 125 GLU H 1 127 ILE H . . 4.700 4.145 3.763 4.461 . 0 0 "[ . 1 . 2]" 1
335 1 126 LEU HA 1 127 ILE H . . 4.230 3.524 3.460 3.565 . 0 0 "[ . 1 . 2]" 1
336 1 126 LEU HB3 1 127 ILE H . . 3.920 2.852 2.544 3.803 . 0 0 "[ . 1 . 2]" 1
337 1 128 ASN H 1 129 VAL H . . 3.460 2.187 2.083 2.439 . 0 0 "[ . 1 . 2]" 1
338 1 127 ILE H 1 128 ASN H . . 3.510 2.464 2.345 2.668 . 0 0 "[ . 1 . 2]" 1
339 1 126 LEU H 1 128 ASN H . . 4.010 3.819 3.644 4.125 0.115 19 0 "[ . 1 . 2]" 1
340 1 125 GLU HA 1 128 ASN H . . 4.840 3.486 3.232 3.801 . 0 0 "[ . 1 . 2]" 1
341 1 127 ILE HA 1 128 ASN H . . 4.740 3.421 3.394 3.467 . 0 0 "[ . 1 . 2]" 1
342 1 127 ILE HB 1 128 ASN H . . 4.820 3.134 2.984 3.222 . 0 0 "[ . 1 . 2]" 1
343 1 129 VAL H 1 130 LEU H . . 2.900 2.430 2.197 2.864 . 0 0 "[ . 1 . 2]" 1
344 1 129 VAL H 1 131 LYS H . . 3.690 3.167 2.907 3.647 . 0 0 "[ . 1 . 2]" 1
345 1 128 ASN HA 1 129 VAL H . . 3.770 3.446 3.380 3.568 . 0 0 "[ . 1 . 2]" 1
346 1 128 ASN HB2 1 129 VAL H . . 3.550 3.339 2.885 3.608 0.058 13 0 "[ . 1 . 2]" 1
347 1 43 ALA MB 1 140 ARG H . . 4.810 4.172 3.620 4.706 . 0 0 "[ . 1 . 2]" 1
348 1 128 ASN HB3 1 129 VAL H . . 4.630 3.508 2.232 3.927 . 0 0 "[ . 1 . 2]" 1
349 1 128 ASN H 1 130 LEU H . . 4.220 4.043 3.867 4.236 0.016 2 0 "[ . 1 . 2]" 1
350 1 130 LEU H 1 131 LYS H . . 3.470 2.363 2.178 2.534 . 0 0 "[ . 1 . 2]" 1
351 1 129 VAL HB 1 130 LEU H . . 4.420 2.274 2.180 2.368 . 0 0 "[ . 1 . 2]" 1
352 1 128 ASN H 1 131 LYS H . . 4.500 3.974 3.845 4.336 . 0 0 "[ . 1 . 2]" 1
353 1 131 LYS H 1 132 ILE H . . 3.080 2.741 2.621 3.006 . 0 0 "[ . 1 . 2]" 1
354 1 127 ILE HA 1 131 LYS H . . 3.870 3.015 2.354 3.812 . 0 0 "[ . 1 . 2]" 1
355 1 130 LEU H 1 132 ILE H . . 4.700 4.262 3.871 4.574 . 0 0 "[ . 1 . 2]" 1
356 1 131 LYS HA 1 132 ILE H . . 3.150 2.748 2.650 2.879 . 0 0 "[ . 1 . 2]" 1
357 1 127 ILE HA 1 132 ILE H . . 3.250 2.408 1.943 3.101 . 0 0 "[ . 1 . 2]" 1
358 1 130 LEU HB3 1 132 ILE H . . 3.890 3.723 3.152 3.941 0.051 14 0 "[ . 1 . 2]" 1
359 1 130 LEU MD2 1 132 ILE H . . 5.220 4.907 4.632 5.178 . 0 0 "[ . 1 . 2]" 1
360 1 133 ASN H 1 134 LEU H . . 4.500 2.355 1.890 2.926 . 0 0 "[ . 1 . 2]" 1
361 1 133 ASN HA 1 134 LEU H . . 4.380 3.279 2.686 3.518 . 0 0 "[ . 1 . 2]" 1
362 1 132 ILE HA 1 134 LEU H . . 4.650 3.812 3.342 4.630 . 0 0 "[ . 1 . 2]" 1
363 1 132 ILE MG 1 134 LEU H . . 4.240 2.679 1.913 3.143 . 0 0 "[ . 1 . 2]" 1
364 1 135 ILE H 1 136 GLY H . . 3.820 2.824 2.587 3.054 . 0 0 "[ . 1 . 2]" 1
365 1 38 PHE H 1 136 GLY H . . 4.770 3.678 3.363 3.885 . 0 0 "[ . 1 . 2]" 1
366 1 135 ILE HA 1 136 GLY H . . 4.480 3.562 3.520 3.575 . 0 0 "[ . 1 . 2]" 1
367 1 135 ILE HB 1 136 GLY H . . 4.160 2.401 2.162 2.749 . 0 0 "[ . 1 . 2]" 1
368 1 135 ILE MG 1 136 GLY H . . 4.220 3.182 2.551 3.538 . 0 0 "[ . 1 . 2]" 1
369 1 136 GLY H 1 137 HIS H . . 3.670 3.053 2.751 3.233 . 0 0 "[ . 1 . 2]" 1
370 1 137 HIS H 1 138 ARG H . . 3.530 2.828 2.668 2.961 . 0 0 "[ . 1 . 2]" 1
371 1 136 GLY HA2 1 137 HIS H . . 4.890 3.560 3.544 3.569 . 0 0 "[ . 1 . 2]" 1
372 1 134 LEU MD2 1 137 HIS H . . 4.840 2.735 2.162 3.102 . 0 0 "[ . 1 . 2]" 1
373 1 138 ARG H 1 139 LYS H . . 4.290 2.922 2.660 3.106 . 0 0 "[ . 1 . 2]" 1
374 1 139 LYS H 1 140 ARG H . . 3.650 2.772 2.576 2.880 . 0 0 "[ . 1 . 2]" 1
375 1 138 ARG HA 1 139 LYS H . . 4.210 3.537 3.470 3.571 . 0 0 "[ . 1 . 2]" 1
376 1 135 ILE HA 1 139 LYS H . . 4.510 3.637 3.203 4.096 . 0 0 "[ . 1 . 2]" 1
377 1 138 ARG HB2 1 139 LYS H . . 4.150 3.802 3.543 4.182 0.032 19 0 "[ . 1 . 2]" 1
378 1 140 ARG H 1 142 LEU H . . 4.490 4.290 3.901 4.526 0.036 18 0 "[ . 1 . 2]" 1
379 1 140 ARG H 1 141 ILE H . . 3.660 2.934 2.743 3.091 . 0 0 "[ . 1 . 2]" 1
380 1 137 HIS HA 1 140 ARG H . . 4.400 3.675 3.327 3.938 . 0 0 "[ . 1 . 2]" 1
381 1 139 LYS HA 1 140 ARG H . . 4.230 3.549 3.511 3.572 . 0 0 "[ . 1 . 2]" 1
382 1 139 LYS HB3 1 140 ARG H . . 3.740 2.473 2.063 2.816 . 0 0 "[ . 1 . 2]" 1
383 1 142 LEU H 1 144 SER H . . 4.470 4.181 3.816 4.473 0.003 15 0 "[ . 1 . 2]" 1
384 1 138 ARG HA 1 142 LEU H . . 4.510 3.833 3.620 4.235 . 0 0 "[ . 1 . 2]" 1
385 1 141 ILE HA 1 142 LEU H . . 4.300 3.553 3.495 3.569 . 0 0 "[ . 1 . 2]" 1
386 1 141 ILE HB 1 142 LEU H . . 5.460 2.648 2.197 3.830 . 0 0 "[ . 1 . 2]" 1
387 1 141 ILE MG 1 142 LEU H . . 3.980 3.426 3.178 3.990 0.010 11 0 "[ . 1 . 2]" 1
388 1 143 ALA H 1 144 SER H . . 3.070 2.566 2.410 2.814 . 0 0 "[ . 1 . 2]" 1
389 1 142 LEU HB2 1 143 ALA H . . 3.800 3.457 2.604 3.842 0.042 17 0 "[ . 1 . 2]" 1
390 1 144 SER H 1 146 GLY H . . 4.580 4.222 3.815 4.484 . 0 0 "[ . 1 . 2]" 1
391 1 141 ILE HA 1 144 SER H . . 4.290 3.375 3.133 3.651 . 0 0 "[ . 1 . 2]" 1
392 1 143 ALA MB 1 144 SER H . . 3.650 2.595 2.318 2.835 . 0 0 "[ . 1 . 2]" 1
393 1 98 ILE MD 1 144 SER H . . 4.510 4.062 3.601 4.492 . 0 0 "[ . 1 . 2]" 1
394 1 143 ALA H 1 145 LEU H . . 4.730 4.161 3.755 4.621 . 0 0 "[ . 1 . 2]" 1
395 1 145 LEU H 1 146 GLY H . . 3.460 2.522 2.227 2.753 . 0 0 "[ . 1 . 2]" 1
396 1 94 TRP HZ2 1 145 LEU H . . 4.690 3.988 3.227 4.305 . 0 0 "[ . 1 . 2]" 1
397 1 142 LEU HA 1 145 LEU H . . 3.800 3.811 3.666 3.905 0.105 10 0 "[ . 1 . 2]" 1
398 1 141 ILE MG 1 145 LEU H . . 5.090 4.056 3.624 5.224 0.134 2 0 "[ . 1 . 2]" 1
399 1 146 GLY H 1 147 ASP H . . 4.380 3.878 2.427 4.387 0.007 9 0 "[ . 1 . 2]" 1
400 1 143 ALA HA 1 146 GLY H . . 4.080 3.530 3.181 3.855 . 0 0 "[ . 1 . 2]" 1
401 1 19 GLN H 1 21 LEU H . . 4.550 4.307 4.061 4.573 0.023 3 0 "[ . 1 . 2]" 1
402 1 17 VAL MG1 1 21 LEU H . . 4.340 3.625 3.461 3.825 . 0 0 "[ . 1 . 2]" 1
403 1 135 ILE HA 1 138 ARG H . . 4.060 3.879 3.725 4.069 0.009 19 0 "[ . 1 . 2]" 1
404 1 17 VAL HA 1 41 VAL MG1 . . 3.900 3.832 3.508 3.931 0.031 4 0 "[ . 1 . 2]" 1
405 1 17 VAL HA 1 41 VAL MG2 . . 3.920 2.289 1.956 3.650 . 0 0 "[ . 1 . 2]" 1
406 1 17 VAL MG1 1 20 TRP HE3 . . 4.100 2.848 2.556 3.153 . 0 0 "[ . 1 . 2]" 1
407 1 17 VAL MG1 1 20 TRP HZ3 . . 4.320 3.530 3.033 3.943 . 0 0 "[ . 1 . 2]" 1
408 1 17 VAL MG1 1 39 ASP HA . . 4.070 3.905 3.486 4.109 0.039 7 0 "[ . 1 . 2]" 1
409 1 17 VAL MG1 1 20 TRP HB3 . . 4.120 4.015 3.894 4.167 0.047 7 0 "[ . 1 . 2]" 1
410 1 17 VAL MG1 1 33 LEU HB2 . . 3.510 3.069 2.876 3.303 . 0 0 "[ . 1 . 2]" 1
411 1 17 VAL MG1 1 41 VAL MG2 . . 4.060 3.706 3.223 4.200 0.140 7 0 "[ . 1 . 2]" 1
412 1 17 VAL MG2 1 44 MET ME . . 3.980 2.734 1.997 3.916 . 0 0 "[ . 1 . 2]" 1
413 1 17 VAL MG2 1 41 VAL MG2 . . 3.730 2.130 1.920 3.482 . 0 0 "[ . 1 . 2]" 1
414 1 94 TRP HZ2 1 141 ILE HA . . 3.840 3.020 2.361 3.590 . 0 0 "[ . 1 . 2]" 1
415 1 91 VAL HB 1 107 PHE HB2 . . 4.310 4.173 3.857 4.340 0.030 5 0 "[ . 1 . 2]" 1
416 1 92 ALA HA 1 95 LEU HB2 . . 3.500 3.307 2.767 3.541 0.041 20 0 "[ . 1 . 2]" 1
417 1 21 LEU MD2 1 30 GLU HA . . 4.070 2.509 1.922 4.083 0.013 14 0 "[ . 1 . 2]" 1
418 1 21 LEU MD2 1 29 TYR HB3 . . 3.530 3.339 2.746 3.564 0.034 10 0 "[ . 1 . 2]" 1
419 1 24 ILE HB 1 68 ILE HA . . 4.100 4.033 3.587 4.127 0.027 3 0 "[ . 1 . 2]" 1
420 1 21 LEU HA 1 24 ILE HG12 . . 3.840 2.033 1.980 2.212 . 0 0 "[ . 1 . 2]" 1
421 1 20 TRP HZ2 1 24 ILE MG . . 4.140 3.475 3.109 3.813 . 0 0 "[ . 1 . 2]" 1
422 1 24 ILE MG 1 71 ALA HA . . 4.140 3.770 3.320 4.098 . 0 0 "[ . 1 . 2]" 1
423 1 21 LEU HA 1 24 ILE MG . . 4.180 3.699 3.401 3.902 . 0 0 "[ . 1 . 2]" 1
424 1 24 ILE MG 1 71 ALA MB . . 2.910 1.908 1.762 2.070 . 0 0 "[ . 1 . 2]" 1
425 1 20 TRP HH2 1 24 ILE MD . . 3.610 3.212 2.861 3.631 0.021 7 0 "[ . 1 . 2]" 1
426 1 20 TRP HZ3 1 24 ILE MD . . 4.080 3.429 3.014 4.075 . 0 0 "[ . 1 . 2]" 1
427 1 21 LEU HA 1 24 ILE MD . . 3.100 2.283 2.006 2.530 . 0 0 "[ . 1 . 2]" 1
428 1 24 ILE MD 1 71 ALA MB . . 2.920 2.401 1.935 2.792 . 0 0 "[ . 1 . 2]" 1
429 1 33 LEU HA 1 38 PHE HB3 . . 3.710 3.592 3.254 3.731 0.021 11 0 "[ . 1 . 2]" 1
430 1 20 TRP HZ3 1 33 LEU MD2 . . 3.650 2.802 2.568 3.092 . 0 0 "[ . 1 . 2]" 1
431 1 30 GLU HA 1 33 LEU MD2 . . 3.990 3.912 3.523 4.026 0.036 11 0 "[ . 1 . 2]" 1
432 1 29 TYR HB2 1 33 LEU MD1 . . 3.810 2.811 1.975 3.866 0.056 15 0 "[ . 1 . 2]" 1
433 1 32 HIS HB2 1 33 LEU MD1 . . 3.850 3.665 2.854 3.908 0.058 20 0 "[ . 1 . 2]" 1
434 1 33 LEU MD2 1 38 PHE HB2 . . 3.850 3.318 3.091 3.601 . 0 0 "[ . 1 . 2]" 1
435 1 17 VAL HB 1 33 LEU MD2 . . 4.170 4.143 3.912 4.235 0.065 12 0 "[ . 1 . 2]" 1
436 1 33 LEU MD1 1 49 MET ME . . 3.730 3.209 2.514 3.738 0.008 20 0 "[ . 1 . 2]" 1
437 1 21 LEU MD1 1 33 LEU MD2 . . 3.290 2.407 1.799 3.011 . 0 0 "[ . 1 . 2]" 1
438 1 33 LEU MD1 1 68 ILE MD . . 3.410 3.142 2.527 3.438 0.028 1 0 "[ . 1 . 2]" 1
439 1 33 LEU MD1 1 59 ILE MD . . 3.310 2.878 2.178 3.376 0.066 12 0 "[ . 1 . 2]" 1
440 1 34 MET HA 1 39 ASP HB2 . . 3.610 3.460 2.115 3.662 0.052 16 0 "[ . 1 . 2]" 1
441 1 138 ARG HD3 1 139 LYS HA . . 3.700 3.315 2.544 3.730 0.030 12 0 "[ . 1 . 2]" 1
442 1 34 MET HA 1 39 ASP HB3 . . 3.320 2.734 2.235 3.433 0.113 1 0 "[ . 1 . 2]" 1
443 1 34 MET HA 1 39 ASP HA . . 3.580 2.379 2.190 2.604 . 0 0 "[ . 1 . 2]" 1
444 1 34 MET ME 1 39 ASP HA . . 3.990 3.583 3.170 4.033 0.043 1 0 "[ . 1 . 2]" 1
445 1 68 ILE HA 1 71 ALA MB . . 4.050 2.402 2.156 2.739 . 0 0 "[ . 1 . 2]" 1
446 1 98 ILE MD 1 141 ILE HA . . 3.550 3.012 2.340 3.585 0.035 6 0 "[ . 1 . 2]" 1
447 1 20 TRP HE3 1 41 VAL MG1 . . 4.170 4.210 4.184 4.292 0.122 7 0 "[ . 1 . 2]" 1
448 1 20 TRP HB2 1 41 VAL MG1 . . 3.810 3.457 3.100 3.734 . 0 0 "[ . 1 . 2]" 1
449 1 20 TRP HB3 1 41 VAL MG1 . . 3.710 3.672 3.390 3.765 0.055 7 0 "[ . 1 . 2]" 1
450 1 20 TRP HE3 1 41 VAL MG2 . . 4.130 4.000 2.881 4.177 0.047 20 0 "[ . 1 . 2]" 1
451 1 20 TRP HB3 1 41 VAL MG2 . . 4.170 3.203 2.706 3.504 . 0 0 "[ . 1 . 2]" 1
452 1 15 GLN HG3 1 41 VAL MG2 . . 4.200 3.037 2.131 4.222 0.022 7 0 "[ . 1 . 2]" 1
453 1 20 TRP HE3 1 44 MET ME . . 3.700 2.831 2.394 3.724 0.024 7 0 "[ . 1 . 2]" 1
454 1 38 PHE QD 1 44 MET ME . . 3.850 3.100 2.506 3.862 0.012 20 0 "[ . 1 . 2]" 1
455 1 20 TRP HH2 1 44 MET ME . . 3.620 3.379 2.518 3.631 0.011 19 0 "[ . 1 . 2]" 1
456 1 20 TRP HZ3 1 44 MET ME . . 3.230 2.471 2.044 2.869 . 0 0 "[ . 1 . 2]" 1
457 1 38 PHE HB3 1 44 MET ME . . 4.290 4.135 3.453 4.375 0.085 7 0 "[ . 1 . 2]" 1
458 1 33 LEU MD2 1 44 MET ME . . 3.310 2.850 1.989 3.261 . 0 0 "[ . 1 . 2]" 1
459 1 126 LEU MD1 1 132 ILE HB . . 3.410 3.258 2.074 3.475 0.065 13 0 "[ . 1 . 2]" 1
460 1 41 VAL MG2 1 44 MET ME . . 3.800 3.065 2.538 3.722 . 0 0 "[ . 1 . 2]" 1
461 1 44 MET ME 1 75 LEU MD1 . . 3.800 3.747 3.425 3.892 0.092 7 0 "[ . 1 . 2]" 1
462 1 38 PHE QE 1 49 MET ME . . 3.030 2.642 2.465 2.984 . 0 0 "[ . 1 . 2]" 1
463 1 49 MET ME 1 53 ASP HB2 . . 4.000 3.856 3.648 4.021 0.021 5 0 "[ . 1 . 2]" 1
464 1 38 PHE HB3 1 49 MET ME . . 3.900 3.814 3.602 3.946 0.046 15 0 "[ . 1 . 2]" 1
465 1 49 MET ME 1 53 ASP HB3 . . 4.080 4.086 3.967 4.117 0.037 4 0 "[ . 1 . 2]" 1
466 1 49 MET ME 1 57 ILE MD . . 3.020 2.499 1.945 3.097 0.077 15 0 "[ . 1 . 2]" 1
467 1 50 GLU HA 1 69 LEU MD2 . . 3.450 2.964 1.958 3.498 0.048 4 0 "[ . 1 . 2]" 1
468 1 51 ASP HA 1 54 LEU MD2 . . 3.910 2.596 1.903 3.930 0.020 10 0 "[ . 1 . 2]" 1
469 1 66 GLN HA 1 69 LEU MD1 . . 3.440 2.766 2.304 3.426 . 0 0 "[ . 1 . 2]" 1
470 1 38 PHE QE 1 53 ASP HB3 . . 3.780 2.923 2.719 3.157 . 0 0 "[ . 1 . 2]" 1
471 1 53 ASP HB3 1 135 ILE MG . . 4.320 2.066 1.891 2.442 . 0 0 "[ . 1 . 2]" 1
472 1 127 ILE HA 1 131 LYS HA . . 3.920 2.878 2.032 3.947 0.027 7 0 "[ . 1 . 2]" 1
473 1 54 LEU MD1 1 59 ILE MG . . 3.450 2.835 2.265 3.465 0.015 13 0 "[ . 1 . 2]" 1
474 1 51 ASP HA 1 69 LEU MD1 . . 3.850 3.248 2.461 3.743 . 0 0 "[ . 1 . 2]" 1
475 1 51 ASP HB2 1 69 LEU MD1 . . 3.920 3.355 1.955 3.927 0.007 16 0 "[ . 1 . 2]" 1
476 1 51 ASP HB3 1 69 LEU MD1 . . 3.280 2.854 2.217 3.310 0.030 1 0 "[ . 1 . 2]" 1
477 1 53 ASP HA 1 56 GLU HB2 . . 3.570 2.766 1.979 3.426 . 0 0 "[ . 1 . 2]" 1
478 1 56 GLU HB2 1 135 ILE MD . . 4.060 3.108 2.196 3.384 . 0 0 "[ . 1 . 2]" 1
479 1 49 MET HB3 1 72 ILE MG . . 4.070 2.459 1.971 3.383 . 0 0 "[ . 1 . 2]" 1
480 1 33 LEU HG 1 57 ILE MG . . 3.820 3.328 2.611 3.792 . 0 0 "[ . 1 . 2]" 1
481 1 49 MET HB2 1 72 ILE MG . . 3.510 3.015 1.961 3.547 0.037 12 0 "[ . 1 . 2]" 1
482 1 69 LEU MD2 1 72 ILE MG . . 3.900 3.207 2.784 3.978 0.078 3 0 "[ . 1 . 2]" 1
483 1 20 TRP HH2 1 72 ILE MD . . 3.980 2.308 1.864 2.725 . 0 0 "[ . 1 . 2]" 1
484 1 49 MET HB3 1 72 ILE MD . . 3.830 3.007 2.004 3.822 . 0 0 "[ . 1 . 2]" 1
485 1 49 MET HB2 1 72 ILE MD . . 3.650 2.467 1.899 3.584 . 0 0 "[ . 1 . 2]" 1
486 1 49 MET ME 1 72 ILE MD . . 4.200 3.249 2.058 4.101 . 0 0 "[ . 1 . 2]" 1
487 1 20 TRP HZ2 1 71 ALA MB . . 3.040 2.503 1.988 2.831 . 0 0 "[ . 1 . 2]" 1
488 1 20 TRP HH2 1 68 ILE MG . . 3.420 2.107 1.955 2.388 . 0 0 "[ . 1 . 2]" 1
489 1 91 VAL HA 1 94 TRP HE3 . . 3.610 2.015 1.984 2.137 . 0 0 "[ . 1 . 2]" 1
490 1 91 VAL MG1 1 94 TRP HE3 . . 3.950 2.107 1.913 2.362 . 0 0 "[ . 1 . 2]" 1
491 1 91 VAL MG1 1 104 THR HA . . 3.620 2.519 1.978 3.014 . 0 0 "[ . 1 . 2]" 1
492 1 91 VAL MG1 1 92 ALA HA . . 4.320 3.739 3.571 3.839 . 0 0 "[ . 1 . 2]" 1
493 1 91 VAL MG2 1 94 TRP HE3 . . 3.620 3.381 3.177 3.596 . 0 0 "[ . 1 . 2]" 1
494 1 91 VAL MG2 1 112 TYR QD . . 4.130 3.866 3.436 4.168 0.038 10 0 "[ . 1 . 2]" 1
495 1 91 VAL MG2 1 94 TRP HZ3 . . 4.340 3.855 3.655 4.079 . 0 0 "[ . 1 . 2]" 1
496 1 124 VAL MG1 1 125 GLU HA . . 4.080 3.293 3.047 3.354 . 0 0 "[ . 1 . 2]" 1
497 1 122 ALA MB 1 124 VAL MG1 . . 2.860 2.420 2.212 2.646 . 0 0 "[ . 1 . 2]" 1
498 1 95 LEU HA 1 98 ILE MD . . 4.140 2.855 1.961 3.730 . 0 0 "[ . 1 . 2]" 1
499 1 94 TRP HE3 1 95 LEU MD1 . . 3.710 3.278 2.794 3.733 0.023 16 0 "[ . 1 . 2]" 1
500 1 95 LEU MD1 1 104 THR HA . . 4.350 2.622 2.249 2.888 . 0 0 "[ . 1 . 2]" 1
501 1 95 LEU MD1 1 103 TYR HB2 . . 3.110 2.139 1.932 2.367 . 0 0 "[ . 1 . 2]" 1
502 1 95 LEU MD1 1 107 PHE HB3 . . 4.270 4.116 3.806 4.294 0.024 14 0 "[ . 1 . 2]" 1
503 1 95 LEU MD1 1 103 TYR HB3 . . 4.280 2.189 1.944 2.620 . 0 0 "[ . 1 . 2]" 1
504 1 94 TRP HE3 1 95 LEU MD2 . . 4.230 4.075 3.296 4.289 0.059 11 0 "[ . 1 . 2]" 1
505 1 95 LEU MD2 1 103 TYR QD . . 4.280 2.879 2.469 3.131 . 0 0 "[ . 1 . 2]" 1
506 1 94 TRP HZ3 1 95 LEU MD2 . . 4.170 3.508 2.657 3.733 . 0 0 "[ . 1 . 2]" 1
507 1 95 LEU MD2 1 103 TYR HB3 . . 4.080 3.165 2.362 3.573 . 0 0 "[ . 1 . 2]" 1
508 1 93 GLU HA 1 96 ASP HB3 . . 3.420 2.818 2.325 3.386 . 0 0 "[ . 1 . 2]" 1
509 1 38 PHE QE 1 72 ILE MD . . 4.390 4.158 3.385 4.459 0.069 15 0 "[ . 1 . 2]" 1
510 1 94 TRP HZ2 1 98 ILE MD . . 4.130 3.672 3.102 4.178 0.048 6 0 "[ . 1 . 2]" 1
511 1 20 TRP HZ2 1 72 ILE MD . . 3.310 2.891 2.285 3.396 0.086 11 0 "[ . 1 . 2]" 1
512 1 98 ILE MD 1 144 SER HB3 . . 3.730 2.403 1.895 3.291 . 0 0 "[ . 1 . 2]" 1
513 1 95 LEU MD2 1 98 ILE MD . . 3.750 3.076 2.256 3.848 0.098 12 0 "[ . 1 . 2]" 1
514 1 100 LEU MD1 1 103 TYR QD . . 3.530 2.060 1.964 2.293 . 0 0 "[ . 1 . 2]" 1
515 1 100 LEU MD2 1 137 HIS HD2 . . 3.590 3.369 2.726 3.625 0.035 16 0 "[ . 1 . 2]" 1
516 1 100 LEU MD2 1 103 TYR QE . . 3.490 2.795 2.027 3.603 0.113 13 0 "[ . 1 . 2]" 1
517 1 95 LEU MD2 1 100 LEU MD2 . . 3.690 3.596 2.251 3.793 0.103 20 0 "[ . 1 . 2]" 1
518 1 103 TYR HA 1 106 ALA MB . . 3.610 3.034 2.783 3.359 . 0 0 "[ . 1 . 2]" 1
519 1 95 LEU MD1 1 104 THR MG . . 3.610 3.616 3.381 3.658 0.048 2 0 "[ . 1 . 2]" 1
520 1 92 ALA HA 1 104 THR MG . . 2.940 2.382 1.965 2.945 0.005 4 0 "[ . 1 . 2]" 1
521 1 29 TYR QE 1 59 ILE HA . . 3.930 3.018 2.087 3.964 0.034 19 0 "[ . 1 . 2]" 1
522 1 105 LYS HD2 1 109 ILE MD . . 4.160 3.749 2.347 4.188 0.028 8 0 "[ . 1 . 2]" 1
523 1 106 ALA MB 1 107 PHE QD . . 4.180 3.261 2.905 3.619 . 0 0 "[ . 1 . 2]" 1
524 1 103 TYR QD 1 106 ALA MB . . 4.330 2.806 2.644 3.064 . 0 0 "[ . 1 . 2]" 1
525 1 103 TYR HB3 1 106 ALA MB . . 4.240 4.106 3.767 4.261 0.021 16 0 "[ . 1 . 2]" 1
526 1 106 ALA MB 1 109 ILE MD . . 4.310 3.146 3.019 3.311 . 0 0 "[ . 1 . 2]" 1
527 1 91 VAL MG2 1 107 PHE HB2 . . 4.400 3.928 3.409 4.306 . 0 0 "[ . 1 . 2]" 1
528 1 104 THR HA 1 108 LEU MD1 . . 4.230 4.116 3.397 4.248 0.018 18 0 "[ . 1 . 2]" 1
529 1 104 THR HB 1 108 LEU MD1 . . 4.210 3.843 3.577 4.084 . 0 0 "[ . 1 . 2]" 1
530 1 106 ALA HA 1 109 ILE HG12 . . 3.930 1.982 1.927 2.038 . 0 0 "[ . 1 . 2]" 1
531 1 106 ALA HA 1 109 ILE MG . . 4.160 3.441 3.285 3.631 . 0 0 "[ . 1 . 2]" 1
532 1 106 ALA HA 1 109 ILE MD . . 3.910 2.131 2.050 2.259 . 0 0 "[ . 1 . 2]" 1
533 1 107 PHE QD 1 112 TYR HB2 . . 3.720 2.497 2.362 2.671 . 0 0 "[ . 1 . 2]" 1
534 1 107 PHE QD 1 112 TYR HB3 . . 3.880 2.389 2.080 2.640 . 0 0 "[ . 1 . 2]" 1
535 1 108 LEU MD2 1 113 THR MG . . 3.140 3.037 2.376 3.174 0.034 18 0 "[ . 1 . 2]" 1
536 1 112 TYR QD 1 117 LEU MD1 . . 3.590 3.051 1.880 3.635 0.045 3 0 "[ . 1 . 2]" 1
537 1 112 TYR HA 1 117 LEU MD1 . . 3.170 2.492 1.981 3.227 0.057 19 0 "[ . 1 . 2]" 1
538 1 94 TRP HE3 1 118 LEU MD1 . . 3.880 2.883 2.665 3.272 . 0 0 "[ . 1 . 2]" 1
539 1 107 PHE QE 1 118 LEU MD1 . . 3.660 3.576 3.237 3.692 0.032 20 0 "[ . 1 . 2]" 1
540 1 94 TRP HH2 1 118 LEU MD1 . . 4.260 3.457 3.016 4.305 0.045 10 0 "[ . 1 . 2]" 1
541 1 94 TRP HZ3 1 118 LEU MD1 . . 4.270 2.819 2.458 3.280 . 0 0 "[ . 1 . 2]" 1
542 1 91 VAL MG1 1 118 LEU MD1 . . 3.270 3.235 2.984 3.284 0.014 17 0 "[ . 1 . 2]" 1
543 1 112 TYR QD 1 118 LEU MD2 . . 3.400 2.008 1.877 2.239 . 0 0 "[ . 1 . 2]" 1
544 1 112 TYR QE 1 118 LEU MD2 . . 3.540 2.870 2.452 3.399 . 0 0 "[ . 1 . 2]" 1
545 1 94 TRP HZ3 1 118 LEU MD2 . . 3.700 2.894 2.402 3.339 . 0 0 "[ . 1 . 2]" 1
546 1 112 TYR HA 1 118 LEU MD2 . . 4.030 3.868 3.675 4.087 0.057 10 0 "[ . 1 . 2]" 1
547 1 91 VAL HA 1 118 LEU MD2 . . 4.450 4.474 4.341 4.560 0.110 10 0 "[ . 1 . 2]" 1
548 1 112 TYR HB2 1 118 LEU MD2 . . 4.200 3.632 3.254 4.138 . 0 0 "[ . 1 . 2]" 1
549 1 112 TYR HB3 1 118 LEU MD2 . . 3.570 2.304 1.962 2.840 . 0 0 "[ . 1 . 2]" 1
550 1 112 TYR QE 1 121 ILE MG . . 4.240 2.816 1.952 4.175 . 0 0 "[ . 1 . 2]" 1
551 1 118 LEU HA 1 121 ILE MG . . 3.780 3.723 3.359 3.947 0.167 13 0 "[ . 1 . 2]" 1
552 1 121 ILE MG 1 125 GLU HB3 . . 3.880 2.908 2.144 3.921 0.041 10 0 "[ . 1 . 2]" 1
553 1 121 ILE MG 1 125 GLU HB2 . . 3.930 3.333 1.971 3.946 0.016 10 0 "[ . 1 . 2]" 1
554 1 112 TYR QD 1 121 ILE MD . . 3.980 3.944 3.648 4.015 0.035 16 0 "[ . 1 . 2]" 1
555 1 112 TYR QE 1 121 ILE MD . . 4.180 2.171 1.889 2.711 . 0 0 "[ . 1 . 2]" 1
556 1 118 LEU HA 1 121 ILE MD . . 3.700 3.056 2.460 3.731 0.031 19 0 "[ . 1 . 2]" 1
557 1 121 ILE MD 1 125 GLU HB3 . . 3.960 3.525 2.540 3.966 0.006 16 0 "[ . 1 . 2]" 1
558 1 121 ILE MD 1 125 GLU HB2 . . 4.100 3.768 3.458 4.150 0.050 15 0 "[ . 1 . 2]" 1
559 1 124 VAL HA 1 127 ILE HB . . 3.350 2.730 1.968 3.125 . 0 0 "[ . 1 . 2]" 1
560 1 124 VAL HA 1 127 ILE MD . . 3.200 2.817 1.962 3.212 0.012 15 0 "[ . 1 . 2]" 1
561 1 125 GLU HA 1 129 VAL MG2 . . 3.550 3.206 2.976 3.324 . 0 0 "[ . 1 . 2]" 1
562 1 126 LEU HA 1 130 LEU HB2 . . 3.420 3.371 3.092 3.501 0.081 18 0 "[ . 1 . 2]" 1
563 1 126 LEU HA 1 130 LEU MD2 . . 3.760 2.259 1.963 2.684 . 0 0 "[ . 1 . 2]" 1
564 1 107 PHE HZ 1 126 LEU MD1 . . 3.660 3.054 2.274 3.733 0.073 18 0 "[ . 1 . 2]" 1
565 1 126 LEU MD1 1 141 ILE MD . . 3.680 2.928 1.873 3.751 0.071 20 0 "[ . 1 . 2]" 1
566 1 112 TYR QD 1 129 VAL MG1 . . 3.690 3.736 3.584 3.877 0.187 10 0 "[ . 1 . 2]" 1
567 1 112 TYR QE 1 129 VAL MG1 . . 3.100 1.914 1.878 1.974 . 0 0 "[ . 1 . 2]" 1
568 1 110 ASN HB3 1 129 VAL MG1 . . 3.600 2.728 2.357 3.618 0.018 10 0 "[ . 1 . 2]" 1
569 1 129 VAL MG1 1 130 LEU MD2 . . 3.710 1.936 1.877 2.031 . 0 0 "[ . 1 . 2]" 1
570 1 112 TYR QE 1 129 VAL MG2 . . 4.170 3.925 3.798 4.019 . 0 0 "[ . 1 . 2]" 1
571 1 107 PHE QD 1 130 LEU MD1 . . 3.820 2.587 2.411 2.789 . 0 0 "[ . 1 . 2]" 1
572 1 112 TYR QD 1 130 LEU MD1 . . 3.200 3.199 2.999 3.302 0.102 10 0 "[ . 1 . 2]" 1
573 1 112 TYR QE 1 130 LEU MD1 . . 3.010 2.950 2.591 3.067 0.057 14 0 "[ . 1 . 2]" 1
574 1 110 ASN HB2 1 130 LEU MD1 . . 3.520 3.362 3.112 3.543 0.023 6 0 "[ . 1 . 2]" 1
575 1 106 ALA MB 1 130 LEU MD1 . . 3.010 2.299 2.072 2.646 . 0 0 "[ . 1 . 2]" 1
576 1 112 TYR QE 1 130 LEU MD2 . . 3.280 1.979 1.913 2.086 . 0 0 "[ . 1 . 2]" 1
577 1 110 ASN HB2 1 130 LEU MD2 . . 4.130 4.117 4.013 4.200 0.070 13 0 "[ . 1 . 2]" 1
578 1 110 ASN HB3 1 130 LEU MD2 . . 3.910 3.891 3.814 4.025 0.115 3 0 "[ . 1 . 2]" 1
579 1 103 TYR QE 1 132 ILE MG . . 3.670 3.206 2.619 3.661 . 0 0 "[ . 1 . 2]" 1
580 1 132 ILE MG 1 138 ARG HA . . 4.420 2.582 1.958 3.640 . 0 0 "[ . 1 . 2]" 1
581 1 132 ILE MG 1 137 HIS HB3 . . 4.050 2.655 2.223 2.893 . 0 0 "[ . 1 . 2]" 1
582 1 132 ILE MG 1 138 ARG HB2 . . 4.250 2.816 1.949 4.073 . 0 0 "[ . 1 . 2]" 1
583 1 103 TYR QD 1 132 ILE MD . . 4.280 3.771 3.393 4.306 0.026 13 0 "[ . 1 . 2]" 1
584 1 29 TYR HB2 1 59 ILE MD . . 4.310 3.904 2.969 4.447 0.137 15 0 "[ . 1 . 2]" 1
585 1 130 LEU HB2 1 132 ILE MD . . 3.410 2.764 2.124 3.166 . 0 0 "[ . 1 . 2]" 1
586 1 130 LEU HB3 1 132 ILE MD . . 2.850 2.579 2.228 2.901 0.051 19 0 "[ . 1 . 2]" 1
587 1 126 LEU MD1 1 132 ILE MD . . 2.980 1.865 1.710 2.155 . 0 0 "[ . 1 . 2]" 1
588 1 132 ILE MG 1 133 ASN HA . . 4.090 4.034 3.828 4.173 0.083 12 0 "[ . 1 . 2]" 1
589 1 53 ASP HB2 1 135 ILE MG . . 3.740 3.512 3.294 3.785 0.045 15 0 "[ . 1 . 2]" 1
590 1 135 ILE HA 1 138 ARG HB3 . . 3.730 2.980 2.300 3.842 0.112 10 0 "[ . 1 . 2]" 1
591 1 98 ILE MD 1 144 SER HA . . 4.060 4.036 3.819 4.149 0.089 17 0 "[ . 1 . 2]" 1
592 1 132 ILE MG 1 134 LEU HB3 . . 3.950 3.078 2.324 3.520 . 0 0 "[ . 1 . 2]" 1
593 1 36 ASN HA 1 134 LEU MD2 . . 3.690 3.738 3.705 3.770 0.080 2 0 "[ . 1 . 2]" 1
594 1 38 PHE QE 1 135 ILE MG . . 2.940 1.924 1.869 1.977 . 0 0 "[ . 1 . 2]" 1
595 1 107 PHE HZ 1 141 ILE MG . . 3.440 3.063 2.115 3.487 0.047 11 0 "[ . 1 . 2]" 1
596 1 94 TRP HH2 1 141 ILE MG . . 3.330 2.140 1.895 3.024 . 0 0 "[ . 1 . 2]" 1
597 1 94 TRP HZ2 1 141 ILE MD . . 4.060 4.085 4.025 4.131 0.071 14 0 "[ . 1 . 2]" 1
598 1 53 ASP HA 1 135 ILE MD . . 3.770 2.468 1.904 2.820 . 0 0 "[ . 1 . 2]" 1
599 1 53 ASP HB2 1 135 ILE MD . . 4.080 4.072 3.825 4.147 0.067 14 0 "[ . 1 . 2]" 1
600 1 53 ASP HB3 1 135 ILE MD . . 3.970 2.775 2.370 3.050 . 0 0 "[ . 1 . 2]" 1
601 1 56 GLU HB3 1 135 ILE MD . . 3.650 1.908 1.870 1.999 . 0 0 "[ . 1 . 2]" 1
602 1 32 HIS HA 1 57 ILE MG . . 4.420 4.131 3.692 4.441 0.021 16 0 "[ . 1 . 2]" 1
603 1 94 TRP HH2 1 145 LEU MD1 . . 4.130 2.764 2.244 3.278 . 0 0 "[ . 1 . 2]" 1
604 1 142 LEU HA 1 145 LEU MD1 . . 3.730 3.408 2.869 3.742 0.012 10 0 "[ . 1 . 2]" 1
605 1 118 LEU HB3 1 145 LEU MD1 . . 4.280 2.344 1.922 2.797 . 0 0 "[ . 1 . 2]" 1
606 1 94 TRP HZ2 1 145 LEU MD2 . . 3.760 3.038 2.455 3.702 . 0 0 "[ . 1 . 2]" 1
607 1 94 TRP HH2 1 145 LEU MD2 . . 4.150 3.820 3.137 4.184 0.034 11 0 "[ . 1 . 2]" 1
608 1 118 LEU HB3 1 145 LEU MD2 . . 3.730 2.454 1.923 3.734 0.004 6 0 "[ . 1 . 2]" 1
609 1 118 LEU HB2 1 145 LEU MD2 . . 3.180 2.455 1.975 3.190 0.010 10 0 "[ . 1 . 2]" 1
610 1 115 MET ME 1 145 LEU MD2 . . 3.050 2.917 2.405 3.092 0.042 6 0 "[ . 1 . 2]" 1
611 1 118 LEU MD1 1 145 LEU MD2 . . 2.920 2.162 1.776 2.947 0.027 10 0 "[ . 1 . 2]" 1
612 1 37 GLY HA2 1 137 HIS HD2 . . 3.350 3.381 3.349 3.424 0.074 18 0 "[ . 1 . 2]" 1
613 1 17 VAL MG2 1 39 ASP HA . . 3.190 2.851 2.482 3.109 . 0 0 "[ . 1 . 2]" 1
614 1 17 VAL MG2 1 40 ASN HA . . 3.650 2.831 2.289 3.152 . 0 0 "[ . 1 . 2]" 1
615 1 15 GLN HG2 1 41 VAL MG1 . . 3.550 3.002 1.980 3.595 0.045 7 0 "[ . 1 . 2]" 1
616 1 15 GLN HB3 1 41 VAL MG1 . . 4.020 2.886 1.849 4.045 0.025 14 0 "[ . 1 . 2]" 1
617 1 15 GLN HB2 1 41 VAL MG1 . . 3.850 3.464 3.127 3.854 0.004 19 0 "[ . 1 . 2]" 1
618 1 15 GLN HB3 1 41 VAL MG2 . . 4.120 2.592 1.973 3.968 . 0 0 "[ . 1 . 2]" 1
619 1 15 GLN HB2 1 41 VAL MG2 . . 3.910 3.381 2.214 4.059 0.149 7 0 "[ . 1 . 2]" 1
620 1 43 ALA MB 1 140 ARG HA . . 4.210 4.148 3.603 4.257 0.047 1 0 "[ . 1 . 2]" 1
621 1 40 ASN HB3 1 43 ALA MB . . 3.410 3.263 2.668 3.447 0.037 20 0 "[ . 1 . 2]" 1
622 1 43 ALA MB 1 136 GLY HA2 . . 3.420 3.468 3.399 3.563 0.143 7 0 "[ . 1 . 2]" 1
623 1 66 GLN HA 1 69 LEU HB3 . . 3.680 3.560 3.015 3.699 0.019 12 0 "[ . 1 . 2]" 1
624 1 38 PHE QE 1 53 ASP HB2 . . 3.840 3.852 3.722 3.930 0.090 12 0 "[ . 1 . 2]" 1
625 1 54 LEU MD2 1 65 ARG HA . . 4.250 2.471 1.914 4.257 0.007 2 0 "[ . 1 . 2]" 1
626 1 33 LEU HA 1 57 ILE MD . . 4.240 3.133 2.159 4.257 0.017 20 0 "[ . 1 . 2]" 1
627 1 33 LEU HG 1 57 ILE MD . . 3.710 2.668 2.177 3.243 . 0 0 "[ . 1 . 2]" 1
628 1 29 TYR QE 1 59 ILE MG . . 3.670 2.713 1.969 3.699 0.029 9 0 "[ . 1 . 2]" 1
629 1 59 ILE MG 1 65 ARG HA . . 3.870 3.347 2.200 3.900 0.030 15 0 "[ . 1 . 2]" 1
630 1 59 ILE MG 1 64 HIS HB3 . . 3.900 2.511 1.905 3.764 . 0 0 "[ . 1 . 2]" 1
631 1 59 ILE MG 1 64 HIS HB2 . . 3.830 2.969 2.006 3.786 . 0 0 "[ . 1 . 2]" 1
632 1 59 ILE MG 1 65 ARG HG3 . . 3.520 3.319 2.674 3.586 0.066 20 0 "[ . 1 . 2]" 1
633 1 59 ILE MG 1 68 ILE MD . . 3.430 2.839 1.843 3.450 0.020 8 0 "[ . 1 . 2]" 1
634 1 132 ILE MG 1 137 HIS HA . . 4.310 4.341 4.177 4.445 0.135 12 0 "[ . 1 . 2]" 1
635 1 132 ILE MG 1 137 HIS HB2 . . 3.830 2.385 1.904 2.730 . 0 0 "[ . 1 . 2]" 1
636 1 132 ILE MG 1 138 ARG HB3 . . 4.340 3.281 2.005 4.345 0.005 13 0 "[ . 1 . 2]" 1
637 1 127 ILE MG 1 133 ASN HA . . 3.780 3.382 2.019 3.827 0.047 3 0 "[ . 1 . 2]" 1
638 1 56 GLU HA 1 135 ILE MD . . 4.190 3.987 3.716 4.273 0.083 13 0 "[ . 1 . 2]" 1
639 1 37 GLY HA2 1 134 LEU MD2 . . 3.500 2.314 2.064 2.659 . 0 0 "[ . 1 . 2]" 1
640 1 134 LEU MD2 1 137 HIS HE1 . . 3.460 2.864 2.627 3.330 . 0 0 "[ . 1 . 2]" 1
641 1 134 LEU MD2 1 137 HIS HD2 . . 4.290 2.882 2.678 3.237 . 0 0 "[ . 1 . 2]" 1
642 1 37 GLY HA2 1 134 LEU MD1 . . 4.060 4.025 3.824 4.160 0.100 2 0 "[ . 1 . 2]" 1
643 1 53 ASP HA 1 135 ILE MG . . 4.230 3.184 2.850 3.792 . 0 0 "[ . 1 . 2]" 1
644 1 100 LEU MD2 1 137 HIS HB3 . . 3.770 3.501 2.805 3.789 0.019 4 0 "[ . 1 . 2]" 1
645 1 100 LEU MD1 1 137 HIS HA . . 3.700 3.289 2.367 3.854 0.154 20 0 "[ . 1 . 2]" 1
646 1 100 LEU MD1 1 137 HIS HB2 . . 4.130 4.144 3.812 4.234 0.104 8 0 "[ . 1 . 2]" 1
647 1 100 LEU MD1 1 137 HIS HB3 . . 3.770 2.848 2.628 3.167 . 0 0 "[ . 1 . 2]" 1
648 1 95 LEU MD2 1 100 LEU MD1 . . 3.850 2.908 1.938 3.925 0.075 13 0 "[ . 1 . 2]" 1
649 1 95 LEU MD1 1 107 PHE QE . . 4.130 3.128 2.618 3.875 . 0 0 "[ . 1 . 2]" 1
650 1 92 ALA HA 1 95 LEU MD1 . . 4.150 3.636 3.188 4.018 . 0 0 "[ . 1 . 2]" 1
651 1 95 LEU MD2 1 103 TYR HB2 . . 4.200 2.677 2.076 3.117 . 0 0 "[ . 1 . 2]" 1
652 1 95 LEU MD2 1 141 ILE MG . . 3.270 3.032 1.847 3.389 0.119 20 0 "[ . 1 . 2]" 1
653 1 95 LEU MD2 1 98 ILE MG . . 3.660 3.463 2.873 3.737 0.077 20 0 "[ . 1 . 2]" 1
654 1 95 LEU MD2 1 141 ILE MD . . 3.430 2.680 1.772 3.502 0.072 2 0 "[ . 1 . 2]" 1
655 1 38 PHE QE 1 136 GLY HA2 . . 3.900 3.913 3.801 3.981 0.081 13 0 "[ . 1 . 2]" 1
656 1 136 GLY HA2 1 139 LYS HB3 . . 3.850 3.275 2.771 3.857 0.007 16 0 "[ . 1 . 2]" 1
657 1 36 ASN HB2 1 57 ILE MG . . 4.310 3.021 2.447 3.410 . 0 0 "[ . 1 . 2]" 1
658 1 38 PHE HA 1 43 ALA MB . . 4.470 3.209 2.962 3.550 . 0 0 "[ . 1 . 2]" 1
659 1 20 TRP HH2 1 49 MET ME . . 3.980 4.000 3.879 4.049 0.069 12 0 "[ . 1 . 2]" 1
660 1 38 PHE HB2 1 49 MET ME . . 3.980 4.014 3.947 4.087 0.107 4 0 "[ . 1 . 2]" 1
661 1 64 HIS HD2 1 68 ILE MD . . 4.440 2.859 1.936 4.555 0.115 12 0 "[ . 1 . 2]" 1
662 1 20 TRP HZ3 1 68 ILE MD . . 4.370 4.389 4.268 4.462 0.092 12 0 "[ . 1 . 2]" 1
663 1 29 TYR QD 1 68 ILE MD . . 4.190 3.649 2.853 4.198 0.008 13 0 "[ . 1 . 2]" 1
664 1 65 ARG HA 1 68 ILE MD . . 4.370 3.736 3.286 4.186 . 0 0 "[ . 1 . 2]" 1
665 1 53 ASP HA 1 56 GLU HB3 . . 3.670 2.614 2.074 3.714 0.044 13 0 "[ . 1 . 2]" 1
666 1 38 PHE QE 1 135 ILE MD . . 3.830 3.757 3.445 3.982 0.152 15 0 "[ . 1 . 2]" 1
667 1 36 ASN HA 1 134 LEU MD1 . . 2.860 2.111 1.892 2.620 . 0 0 "[ . 1 . 2]" 1
668 1 107 PHE QD 1 118 LEU MD2 . . 3.280 2.462 2.071 2.841 . 0 0 "[ . 1 . 2]" 1
669 1 107 PHE QE 1 130 LEU MD2 . . 3.670 3.233 2.928 3.586 . 0 0 "[ . 1 . 2]" 1
670 1 20 TRP HZ2 1 75 LEU MD1 . . 3.760 2.733 2.099 3.335 . 0 0 "[ . 1 . 2]" 1
671 1 98 ILE MG 1 140 ARG HA . . 3.970 3.869 3.626 4.050 0.080 17 0 "[ . 1 . 2]" 1
672 1 20 TRP HZ2 1 72 ILE HA . . 3.720 2.602 2.146 3.399 . 0 0 "[ . 1 . 2]" 1
673 1 20 TRP HZ2 1 68 ILE MG . . 4.080 3.533 3.075 3.959 . 0 0 "[ . 1 . 2]" 1
674 1 20 TRP HZ2 1 75 LEU MD2 . . 4.180 4.070 3.413 4.244 0.064 4 0 "[ . 1 . 2]" 1
675 1 20 TRP HZ2 1 24 ILE MD . . 4.390 3.095 2.729 3.332 . 0 0 "[ . 1 . 2]" 1
676 1 20 TRP HH2 1 68 ILE HA . . 3.960 3.926 3.560 4.011 0.051 7 0 "[ . 1 . 2]" 1
677 1 20 TRP HH2 1 68 ILE HG12 . . 4.400 4.278 3.801 4.413 0.013 20 0 "[ . 1 . 2]" 1
678 1 20 TRP HH2 1 75 LEU MD1 . . 4.360 4.179 3.681 4.419 0.059 8 0 "[ . 1 . 2]" 1
679 1 20 TRP HZ3 1 72 ILE MD . . 3.570 3.500 3.061 3.652 0.082 3 0 "[ . 1 . 2]" 1
680 1 20 TRP HE3 1 33 LEU MD2 . . 3.870 3.761 3.560 3.888 0.018 15 0 "[ . 1 . 2]" 1
681 1 21 LEU MD1 1 29 TYR QD . . 4.270 3.339 2.000 4.283 0.013 11 0 "[ . 1 . 2]" 1
682 1 29 TYR QD 1 59 ILE MG . . 4.400 3.551 2.944 4.304 . 0 0 "[ . 1 . 2]" 1
683 1 29 TYR QE 1 64 HIS HB3 . . 3.960 3.684 2.152 3.983 0.023 17 0 "[ . 1 . 2]" 1
684 1 36 ASN HB3 1 38 PHE QD . . 3.820 3.428 3.004 3.833 0.013 9 0 "[ . 1 . 2]" 1
685 1 38 PHE QD 1 136 GLY HA2 . . 3.870 3.803 3.573 3.923 0.053 2 0 "[ . 1 . 2]" 1
686 1 38 PHE QD 1 43 ALA MB . . 4.280 2.762 2.274 3.512 . 0 0 "[ . 1 . 2]" 1
687 1 38 PHE QD 1 135 ILE MG . . 3.310 2.959 2.075 3.348 0.038 10 0 "[ . 1 . 2]" 1
688 1 17 VAL MG2 1 38 PHE QD . . 3.450 3.436 3.250 3.509 0.059 7 0 "[ . 1 . 2]" 1
689 1 38 PHE QD 1 57 ILE MD . . 4.010 2.687 1.895 3.428 . 0 0 "[ . 1 . 2]" 1
690 1 32 HIS HD2 1 58 GLY HA2 . . 3.940 3.939 3.834 3.967 0.027 20 0 "[ . 1 . 2]" 1
691 1 100 LEU MD1 1 137 HIS HD2 . . 3.910 3.687 3.350 3.940 0.030 18 0 "[ . 1 . 2]" 1
692 1 59 ILE MG 1 64 HIS HD2 . . 3.710 3.099 1.944 3.724 0.014 18 0 "[ . 1 . 2]" 1
693 1 94 TRP HZ2 1 141 ILE MG . . 3.290 2.163 1.886 3.139 . 0 0 "[ . 1 . 2]" 1
694 1 94 TRP HZ2 1 145 LEU MD1 . . 3.680 2.709 1.989 3.521 . 0 0 "[ . 1 . 2]" 1
695 1 94 TRP HH2 1 107 PHE HZ . . 3.520 2.767 2.269 3.208 . 0 0 "[ . 1 . 2]" 1
696 1 94 TRP HH2 1 95 LEU MD2 . . 4.440 3.492 3.138 4.147 . 0 0 "[ . 1 . 2]" 1
697 1 94 TRP HE3 1 118 LEU MD2 . . 4.460 4.055 3.722 4.402 . 0 0 "[ . 1 . 2]" 1
698 1 100 LEU MD2 1 103 TYR QD . . 3.830 2.685 1.924 3.801 . 0 0 "[ . 1 . 2]" 1
699 1 103 TYR QD 1 132 ILE HG12 . . 4.100 3.965 3.684 4.163 0.063 13 0 "[ . 1 . 2]" 1
700 1 103 TYR QE 1 132 ILE HA . . 3.660 3.542 2.756 3.785 0.125 14 0 "[ . 1 . 2]" 1
701 1 103 TYR QE 1 137 HIS HB2 . . 3.640 3.440 2.707 3.695 0.055 7 0 "[ . 1 . 2]" 1
702 1 103 TYR QE 1 137 HIS HB3 . . 3.030 2.191 1.964 2.601 . 0 0 "[ . 1 . 2]" 1
703 1 103 TYR QE 1 132 ILE HG12 . . 3.510 2.364 2.025 2.972 . 0 0 "[ . 1 . 2]" 1
704 1 95 LEU MD1 1 107 PHE QD . . 3.510 2.862 2.511 3.319 . 0 0 "[ . 1 . 2]" 1
705 1 107 PHE QD 1 130 LEU MD2 . . 4.140 3.866 3.620 4.140 0.000 5 0 "[ . 1 . 2]" 1
706 1 95 LEU MD2 1 107 PHE QD . . 4.430 4.314 3.726 4.451 0.021 12 0 "[ . 1 . 2]" 1
707 1 94 TRP HZ3 1 107 PHE QE . . 3.880 2.852 2.488 3.342 . 0 0 "[ . 1 . 2]" 1
708 1 103 TYR HB3 1 107 PHE QE . . 3.280 2.504 2.262 2.895 . 0 0 "[ . 1 . 2]" 1
709 1 107 PHE QE 1 141 ILE MD . . 3.350 3.055 2.474 3.416 0.066 2 0 "[ . 1 . 2]" 1
710 1 107 PHE QE 1 132 ILE MD . . 3.430 2.965 2.531 3.443 0.013 1 0 "[ . 1 . 2]" 1
711 1 95 LEU MD2 1 107 PHE QE . . 3.850 3.466 2.988 3.766 . 0 0 "[ . 1 . 2]" 1
712 1 107 PHE HZ 1 118 LEU MD2 . . 4.170 3.939 3.747 4.178 0.008 2 0 "[ . 1 . 2]" 1
713 1 107 PHE HZ 1 141 ILE MD . . 4.240 2.773 2.325 3.641 . 0 0 "[ . 1 . 2]" 1
714 1 107 PHE HZ 1 132 ILE MD . . 3.870 3.160 2.788 3.586 . 0 0 "[ . 1 . 2]" 1
715 1 107 PHE HZ 1 130 LEU MD2 . . 3.950 3.531 3.267 3.754 . 0 0 "[ . 1 . 2]" 1
716 1 95 LEU MD2 1 107 PHE HZ . . 4.400 4.065 3.790 4.323 . 0 0 "[ . 1 . 2]" 1
717 1 107 PHE QD 1 112 TYR QD . . 3.490 2.964 2.715 3.143 . 0 0 "[ . 1 . 2]" 1
718 1 107 PHE HA 1 112 TYR QD . . 3.450 2.005 1.964 2.113 . 0 0 "[ . 1 . 2]" 1
719 1 112 TYR QD 1 130 LEU MD2 . . 4.030 3.528 3.222 3.676 . 0 0 "[ . 1 . 2]" 1
720 1 110 ASN HB2 1 112 TYR QE . . 3.660 3.154 2.924 3.641 . 0 0 "[ . 1 . 2]" 1
721 1 110 ASN HB3 1 112 TYR QE . . 3.770 2.447 2.140 2.905 . 0 0 "[ . 1 . 2]" 1
722 1 94 TRP HH2 1 107 PHE QE . . 4.220 3.198 2.816 3.679 . 0 0 "[ . 1 . 2]" 1
723 1 103 TYR QD 1 107 PHE QE . . 3.990 3.340 2.928 3.592 . 0 0 "[ . 1 . 2]" 1
724 1 38 PHE QE 1 135 ILE HB . . 4.460 3.562 2.954 4.311 . 0 0 "[ . 1 . 2]" 1
725 1 33 LEU MD2 1 38 PHE QE . . 4.430 4.386 4.239 4.491 0.061 20 0 "[ . 1 . 2]" 1
726 1 103 TYR HB3 1 107 PHE QD . . 3.430 2.239 1.997 2.941 . 0 0 "[ . 1 . 2]" 1
727 1 110 ASN HB3 1 112 TYR QD . . 3.880 2.486 1.978 2.734 . 0 0 "[ . 1 . 2]" 1
728 1 112 TYR QD 1 118 LEU MD1 . . 4.270 4.293 3.854 4.388 0.118 6 0 "[ . 1 . 2]" 1
729 1 103 TYR QE 1 130 LEU HB3 . . 3.540 3.501 3.186 3.610 0.070 8 0 "[ . 1 . 2]" 1
730 1 100 LEU MD1 1 103 TYR QE . . 3.080 2.231 1.923 2.718 . 0 0 "[ . 1 . 2]" 1
731 1 95 LEU MD2 1 103 TYR QE . . 4.600 4.502 4.094 4.664 0.064 6 0 "[ . 1 . 2]" 1
732 1 107 PHE HA 1 112 TYR QE . . 3.510 3.550 3.511 3.624 0.114 10 0 "[ . 1 . 2]" 1
733 1 28 GLN HB3 1 29 TYR QE . . 4.210 3.940 2.884 4.247 0.037 15 0 "[ . 1 . 2]" 1
734 1 28 GLN HB2 1 29 TYR QE . . 3.740 3.655 3.281 3.837 0.097 15 0 "[ . 1 . 2]" 1
735 1 94 TRP HZ3 1 107 PHE HZ . . 4.090 3.382 3.080 3.853 . 0 0 "[ . 1 . 2]" 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 8
_Distance_constraint_stats_list.Viol_count 82
_Distance_constraint_stats_list.Viol_total 1025.326
_Distance_constraint_stats_list.Viol_max 2.097
_Distance_constraint_stats_list.Viol_rms 0.6133
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3204
_Distance_constraint_stats_list.Viol_average_violations_only 0.6252
_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 36 ASN 0.009 0.009 7 0 "[ . 1 . 2]"
1 53 ASP 18.016 1.923 15 16 "[* ******** * +-****]"
1 56 GLU 7.217 1.847 5 5 "[ + - 1 ** *2]"
1 94 TRP 0.061 0.012 17 0 "[ . 1 . 2]"
1 99 GLU 9.747 1.744 9 7 "[ .- +* .** **]"
1 123 GLU 16.217 2.097 3 10 "[* +*. * *** -* *]"
1 136 GLY 0.009 0.009 7 0 "[ . 1 . 2]"
1 138 ARG 23.434 2.097 3 13 "[* +** -* *** ** **]"
1 139 LYS 18.016 1.923 15 16 "[* ******** * +-****]"
1 140 ARG 9.747 1.744 9 7 "[ .- +* .** **]"
1 144 SER 0.061 0.012 17 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 94 TRP HE1 1 144 SER OG . . 2.000 1.977 1.853 2.012 0.012 17 0 "[ . 1 . 2]" 2
2 1 94 TRP NE1 1 144 SER OG . . 3.000 2.837 2.739 2.979 . 0 0 "[ . 1 . 2]" 2
3 1 36 ASN O 1 136 GLY H . . 2.000 1.855 1.782 2.009 0.009 7 0 "[ . 1 . 2]" 2
4 1 36 ASN O 1 136 GLY N . . 3.000 2.796 2.735 2.957 . 0 0 "[ . 1 . 2]" 2
5 1 56 GLU OE1 1 138 ARG QH1 . . 2.000 2.360 1.982 3.847 1.847 5 5 "[ + - 1 ** *2]" 2
6 1 123 GLU OE1 1 138 ARG QH2 . . 2.000 2.799 1.872 4.097 2.097 3 10 "[* +*. * *** -* *]" 2
7 1 53 ASP OD1 1 139 LYS QZ . . 2.000 2.892 1.830 3.923 1.923 15 16 "[* ******** * +-****]" 2
8 1 99 GLU OE1 1 140 ARG QH1 . . 2.000 2.473 1.807 3.744 1.744 9 7 "[ .- +* .** **]" 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 112
_Distance_constraint_stats_list.Viol_count 576
_Distance_constraint_stats_list.Viol_total 114.778
_Distance_constraint_stats_list.Viol_max 0.066
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0100
_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 16 THR 0.085 0.016 12 0 "[ . 1 . 2]"
1 17 VAL 0.003 0.003 18 0 "[ . 1 . 2]"
1 18 GLY 0.067 0.011 7 0 "[ . 1 . 2]"
1 19 GLN 0.057 0.011 7 0 "[ . 1 . 2]"
1 20 TRP 0.143 0.016 12 0 "[ . 1 . 2]"
1 21 LEU 0.035 0.013 15 0 "[ . 1 . 2]"
1 22 GLU 0.067 0.011 7 0 "[ . 1 . 2]"
1 23 SER 0.057 0.011 7 0 "[ . 1 . 2]"
1 24 ILE 0.058 0.010 20 0 "[ . 1 . 2]"
1 25 GLY 0.032 0.013 15 0 "[ . 1 . 2]"
1 29 TYR 0.059 0.024 15 0 "[ . 1 . 2]"
1 30 GLU 0.078 0.018 17 0 "[ . 1 . 2]"
1 31 ASN 0.016 0.010 15 0 "[ . 1 . 2]"
1 32 HIS 0.287 0.023 11 0 "[ . 1 . 2]"
1 33 LEU 0.492 0.039 19 0 "[ . 1 . 2]"
1 34 MET 0.131 0.018 20 0 "[ . 1 . 2]"
1 35 ALA 0.016 0.010 15 0 "[ . 1 . 2]"
1 36 ASN 0.287 0.023 11 0 "[ . 1 . 2]"
1 37 GLY 0.120 0.018 20 0 "[ . 1 . 2]"
1 38 PHE 0.433 0.039 19 0 "[ . 1 . 2]"
1 39 ASP 0.068 0.012 19 0 "[ . 1 . 2]"
1 40 ASN 0.040 0.011 11 0 "[ . 1 . 2]"
1 41 VAL 0.038 0.018 7 0 "[ . 1 . 2]"
1 42 GLN 0.044 0.008 3 0 "[ . 1 . 2]"
1 43 ALA 0.040 0.011 11 0 "[ . 1 . 2]"
1 44 MET 0.038 0.018 7 0 "[ . 1 . 2]"
1 45 GLY 0.044 0.008 3 0 "[ . 1 . 2]"
1 50 GLU 0.137 0.027 12 0 "[ . 1 . 2]"
1 51 ASP 0.033 0.005 6 0 "[ . 1 . 2]"
1 52 GLN 0.113 0.014 20 0 "[ . 1 . 2]"
1 53 ASP 0.103 0.024 15 0 "[ . 1 . 2]"
1 54 LEU 0.137 0.027 12 0 "[ . 1 . 2]"
1 55 LEU 0.033 0.005 6 0 "[ . 1 . 2]"
1 56 GLU 0.113 0.014 20 0 "[ . 1 . 2]"
1 57 ILE 0.103 0.024 15 0 "[ . 1 . 2]"
1 64 HIS 0.068 0.015 15 0 "[ . 1 . 2]"
1 65 ARG 0.019 0.009 4 0 "[ . 1 . 2]"
1 66 GLN 0.015 0.015 12 0 "[ . 1 . 2]"
1 67 ARG 0.062 0.015 12 0 "[ . 1 . 2]"
1 68 ILE 0.068 0.015 15 0 "[ . 1 . 2]"
1 69 LEU 0.216 0.034 8 0 "[ . 1 . 2]"
1 70 GLN 0.237 0.030 7 0 "[ . 1 . 2]"
1 71 ALA 0.335 0.040 19 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLN 0.197 0.034 8 0 "[ . 1 . 2]"
1 74 LEU 0.222 0.030 7 0 "[ . 1 . 2]"
1 75 LEU 0.274 0.040 19 0 "[ . 1 . 2]"
1 90 SER 0.041 0.016 9 0 "[ . 1 . 2]"
1 91 VAL 0.032 0.009 20 0 "[ . 1 . 2]"
1 92 ALA 0.013 0.006 12 0 "[ . 1 . 2]"
1 94 TRP 0.041 0.016 9 0 "[ . 1 . 2]"
1 95 LEU 0.032 0.009 20 0 "[ . 1 . 2]"
1 96 ASP 0.013 0.006 12 0 "[ . 1 . 2]"
1 101 GLY 0.036 0.015 6 0 "[ . 1 . 2]"
1 102 ASP 0.116 0.019 20 0 "[ . 1 . 2]"
1 103 TYR 0.022 0.010 5 0 "[ . 1 . 2]"
1 104 THR 0.073 0.015 6 0 "[ . 1 . 2]"
1 105 LYS 0.348 0.040 8 0 "[ . 1 . 2]"
1 106 ALA 0.081 0.017 3 0 "[ . 1 . 2]"
1 107 PHE 0.024 0.010 5 0 "[ . 1 . 2]"
1 108 LEU 0.093 0.017 10 0 "[ . 1 . 2]"
1 109 ILE 0.232 0.040 8 0 "[ . 1 . 2]"
1 110 ASN 0.081 0.017 3 0 "[ . 1 . 2]"
1 111 GLY 0.056 0.017 10 0 "[ . 1 . 2]"
1 112 TYR 0.001 0.001 20 0 "[ . 1 . 2]"
1 115 MET 0.223 0.066 10 0 "[ . 1 . 2]"
1 116 ASP 0.041 0.014 10 0 "[ . 1 . 2]"
1 117 LEU 0.115 0.040 10 0 "[ . 1 . 2]"
1 118 LEU 0.223 0.066 10 0 "[ . 1 . 2]"
1 119 LYS 0.041 0.014 10 0 "[ . 1 . 2]"
1 120 LYS 0.115 0.040 10 0 "[ . 1 . 2]"
1 122 ALA 0.131 0.028 19 0 "[ . 1 . 2]"
1 123 GLU 0.108 0.018 8 0 "[ . 1 . 2]"
1 124 VAL 0.476 0.033 15 0 "[ . 1 . 2]"
1 125 GLU 0.193 0.031 16 0 "[ . 1 . 2]"
1 126 LEU 0.355 0.028 19 0 "[ . 1 . 2]"
1 127 ILE 0.108 0.018 8 0 "[ . 1 . 2]"
1 128 ASN 0.476 0.033 15 0 "[ . 1 . 2]"
1 129 VAL 0.193 0.031 16 0 "[ . 1 . 2]"
1 130 LEU 0.224 0.022 15 0 "[ . 1 . 2]"
1 134 LEU 0.073 0.023 10 0 "[ . 1 . 2]"
1 135 ILE 0.032 0.011 2 0 "[ . 1 . 2]"
1 136 GLY 0.180 0.032 17 0 "[ . 1 . 2]"
1 137 HIS 0.202 0.039 12 0 "[ . 1 . 2]"
1 138 ARG 0.266 0.037 2 0 "[ . 1 . 2]"
1 139 LYS 0.033 0.011 2 0 "[ . 1 . 2]"
1 140 ARG 0.348 0.032 17 0 "[ . 1 . 2]"
1 141 ILE 0.230 0.039 12 0 "[ . 1 . 2]"
1 142 LEU 0.214 0.037 2 0 "[ . 1 . 2]"
1 143 ALA 0.001 0.001 13 0 "[ . 1 . 2]"
1 144 SER 0.168 0.031 17 0 "[ . 1 . 2]"
1 145 LEU 0.027 0.017 17 0 "[ . 1 . 2]"
1 146 GLY 0.022 0.009 11 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 16 THR O 1 20 TRP H . . 2.000 1.991 1.873 2.016 0.016 12 0 "[ . 1 . 2]" 3
2 1 16 THR O 1 20 TRP N . . 3.000 2.961 2.817 2.984 . 0 0 "[ . 1 . 2]" 3
3 1 17 VAL O 1 21 LEU H . . 2.000 1.844 1.792 2.003 0.003 18 0 "[ . 1 . 2]" 3
4 1 17 VAL O 1 21 LEU N . . 3.000 2.766 2.701 2.904 . 0 0 "[ . 1 . 2]" 3
5 1 18 GLY O 1 22 GLU H . . 2.000 2.000 1.950 2.011 0.011 7 0 "[ . 1 . 2]" 3
6 1 18 GLY O 1 22 GLU N . . 3.000 2.869 2.749 2.936 . 0 0 "[ . 1 . 2]" 3
7 1 19 GLN O 1 23 SER H . . 2.000 1.994 1.934 2.011 0.011 7 0 "[ . 1 . 2]" 3
8 1 19 GLN O 1 23 SER N . . 3.000 2.820 2.731 2.889 . 0 0 "[ . 1 . 2]" 3
9 1 20 TRP O 1 24 ILE H . . 2.000 1.993 1.881 2.010 0.010 20 0 "[ . 1 . 2]" 3
10 1 20 TRP O 1 24 ILE N . . 3.000 2.937 2.816 2.983 . 0 0 "[ . 1 . 2]" 3
11 1 21 LEU O 1 25 GLY H . . 2.000 1.978 1.849 2.013 0.013 15 0 "[ . 1 . 2]" 3
12 1 21 LEU O 1 25 GLY N . . 3.000 2.763 2.705 2.856 . 0 0 "[ . 1 . 2]" 3
13 1 29 TYR O 1 33 LEU H . . 2.000 1.919 1.784 2.024 0.024 15 0 "[ . 1 . 2]" 3
14 1 29 TYR O 1 33 LEU N . . 3.000 2.883 2.726 3.000 0.000 15 0 "[ . 1 . 2]" 3
15 1 30 GLU O 1 34 MET H . . 2.000 1.969 1.807 2.018 0.018 17 0 "[ . 1 . 2]" 3
16 1 30 GLU O 1 34 MET N . . 3.000 2.918 2.732 2.983 . 0 0 "[ . 1 . 2]" 3
17 1 31 ASN O 1 35 ALA H . . 2.000 1.901 1.805 2.010 0.010 15 0 "[ . 1 . 2]" 3
18 1 31 ASN O 1 35 ALA N . . 3.000 2.842 2.741 2.942 . 0 0 "[ . 1 . 2]" 3
19 1 32 HIS O 1 36 ASN H . . 2.000 2.014 2.005 2.023 0.023 11 0 "[ . 1 . 2]" 3
20 1 32 HIS O 1 36 ASN N . . 3.000 2.717 2.669 2.749 . 0 0 "[ . 1 . 2]" 3
21 1 34 MET O 1 37 GLY H . . 2.000 1.969 1.856 2.018 0.018 20 0 "[ . 1 . 2]" 3
22 1 34 MET O 1 37 GLY N . . 3.000 2.811 2.733 2.872 . 0 0 "[ . 1 . 2]" 3
23 1 33 LEU O 1 38 PHE H . . 2.000 2.022 2.002 2.039 0.039 19 0 "[ . 1 . 2]" 3
24 1 33 LEU O 1 38 PHE N . . 3.000 2.693 2.665 2.729 . 0 0 "[ . 1 . 2]" 3
25 1 37 GLY O 1 39 ASP H . . 2.000 1.983 1.926 2.012 0.012 19 0 "[ . 1 . 2]" 3
26 1 37 GLY O 1 39 ASP N . . 3.000 2.812 2.760 2.855 . 0 0 "[ . 1 . 2]" 3
27 1 40 ASN O 1 43 ALA H . . 2.000 1.941 1.781 2.011 0.011 11 0 "[ . 1 . 2]" 3
28 1 40 ASN O 1 43 ALA N . . 3.000 2.845 2.712 2.954 . 0 0 "[ . 1 . 2]" 3
29 1 41 VAL O 1 44 MET H . . 2.000 1.964 1.811 2.018 0.018 7 0 "[ . 1 . 2]" 3
30 1 41 VAL O 1 44 MET N . . 3.000 2.886 2.732 2.980 . 0 0 "[ . 1 . 2]" 3
31 1 42 GLN O 1 45 GLY H . . 2.000 1.967 1.845 2.008 0.008 3 0 "[ . 1 . 2]" 3
32 1 42 GLN O 1 45 GLY N . . 3.000 2.834 2.734 2.946 . 0 0 "[ . 1 . 2]" 3
33 1 50 GLU O 1 54 LEU H . . 2.000 1.994 1.850 2.027 0.027 12 0 "[ . 1 . 2]" 3
34 1 50 GLU O 1 54 LEU N . . 3.000 2.948 2.818 2.987 . 0 0 "[ . 1 . 2]" 3
35 1 51 ASP O 1 55 LEU H . . 2.000 1.951 1.811 2.005 0.005 6 0 "[ . 1 . 2]" 3
36 1 51 ASP O 1 55 LEU N . . 3.000 2.841 2.685 2.972 . 0 0 "[ . 1 . 2]" 3
37 1 52 GLN O 1 56 GLU H . . 2.000 2.006 2.000 2.014 0.014 20 0 "[ . 1 . 2]" 3
38 1 52 GLN O 1 56 GLU N . . 3.000 2.798 2.730 2.901 . 0 0 "[ . 1 . 2]" 3
39 1 53 ASP O 1 57 ILE H . . 2.000 1.980 1.861 2.024 0.024 15 0 "[ . 1 . 2]" 3
40 1 53 ASP O 1 57 ILE N . . 3.000 2.842 2.741 2.946 . 0 0 "[ . 1 . 2]" 3
41 1 64 HIS O 1 68 ILE H . . 2.000 1.966 1.782 2.015 0.015 15 0 "[ . 1 . 2]" 3
42 1 64 HIS O 1 68 ILE N . . 3.000 2.924 2.736 2.981 . 0 0 "[ . 1 . 2]" 3
43 1 65 ARG O 1 69 LEU H . . 2.000 1.948 1.803 2.009 0.009 4 0 "[ . 1 . 2]" 3
44 1 65 ARG O 1 69 LEU N . . 3.000 2.860 2.745 2.954 . 0 0 "[ . 1 . 2]" 3
45 1 66 GLN O 1 70 GLN H . . 2.000 1.896 1.791 2.015 0.015 12 0 "[ . 1 . 2]" 3
46 1 66 GLN O 1 70 GLN N . . 3.000 2.838 2.726 2.985 . 0 0 "[ . 1 . 2]" 3
47 1 67 ARG O 1 71 ALA H . . 2.000 1.972 1.835 2.015 0.015 12 0 "[ . 1 . 2]" 3
48 1 67 ARG O 1 71 ALA N . . 3.000 2.882 2.761 2.989 . 0 0 "[ . 1 . 2]" 3
49 1 68 ILE O 1 72 ILE H . . 2.000 1.831 1.774 1.941 . 0 0 "[ . 1 . 2]" 3
50 1 68 ILE O 1 72 ILE N . . 3.000 2.765 2.734 2.913 . 0 0 "[ . 1 . 2]" 3
51 1 69 LEU O 1 73 GLN H . . 2.000 2.000 1.897 2.034 0.034 8 0 "[ . 1 . 2]" 3
52 1 69 LEU O 1 73 GLN N . . 3.000 2.804 2.673 2.950 . 0 0 "[ . 1 . 2]" 3
53 1 70 GLN O 1 74 LEU H . . 2.000 2.011 2.000 2.030 0.030 7 0 "[ . 1 . 2]" 3
54 1 70 GLN O 1 74 LEU N . . 3.000 2.803 2.706 2.939 . 0 0 "[ . 1 . 2]" 3
55 1 71 ALA O 1 75 LEU H . . 2.000 2.001 1.802 2.040 0.040 19 0 "[ . 1 . 2]" 3
56 1 71 ALA O 1 75 LEU N . . 3.000 2.722 2.651 2.812 . 0 0 "[ . 1 . 2]" 3
57 1 90 SER O 1 94 TRP H . . 2.000 1.981 1.867 2.016 0.016 9 0 "[ . 1 . 2]" 3
58 1 90 SER O 1 94 TRP N . . 3.000 2.820 2.686 2.973 . 0 0 "[ . 1 . 2]" 3
59 1 91 VAL O 1 95 LEU H . . 2.000 1.935 1.802 2.009 0.009 20 0 "[ . 1 . 2]" 3
60 1 91 VAL O 1 95 LEU N . . 3.000 2.880 2.748 2.983 . 0 0 "[ . 1 . 2]" 3
61 1 92 ALA O 1 96 ASP H . . 2.000 1.926 1.792 2.006 0.006 12 0 "[ . 1 . 2]" 3
62 1 92 ALA O 1 96 ASP N . . 3.000 2.787 2.727 2.895 . 0 0 "[ . 1 . 2]" 3
63 1 101 GLY O 1 104 THR H . . 2.000 1.968 1.852 2.015 0.015 6 0 "[ . 1 . 2]" 3
64 1 101 GLY O 1 104 THR N . . 3.000 2.808 2.721 2.897 . 0 0 "[ . 1 . 2]" 3
65 1 102 ASP O 1 105 LYS H . . 2.000 2.006 2.000 2.019 0.019 20 0 "[ . 1 . 2]" 3
66 1 102 ASP O 1 105 LYS N . . 3.000 2.915 2.847 2.979 . 0 0 "[ . 1 . 2]" 3
67 1 103 TYR O 1 107 PHE H . . 2.000 1.885 1.780 2.010 0.010 5 0 "[ . 1 . 2]" 3
68 1 103 TYR O 1 107 PHE N . . 3.000 2.861 2.754 2.986 . 0 0 "[ . 1 . 2]" 3
69 1 104 THR O 1 108 LEU H . . 2.000 1.987 1.906 2.009 0.009 8 0 "[ . 1 . 2]" 3
70 1 104 THR O 1 108 LEU N . . 3.000 2.910 2.831 2.948 . 0 0 "[ . 1 . 2]" 3
71 1 105 LYS O 1 109 ILE H . . 2.000 2.003 1.898 2.040 0.040 8 0 "[ . 1 . 2]" 3
72 1 105 LYS O 1 109 ILE N . . 3.000 2.963 2.853 3.001 0.001 8 0 "[ . 1 . 2]" 3
73 1 106 ALA O 1 110 ASN H . . 2.000 1.986 1.917 2.017 0.017 3 0 "[ . 1 . 2]" 3
74 1 106 ALA O 1 110 ASN N . . 3.000 2.770 2.726 2.845 . 0 0 "[ . 1 . 2]" 3
75 1 108 LEU O 1 111 GLY H . . 2.000 1.970 1.892 2.017 0.017 10 0 "[ . 1 . 2]" 3
76 1 108 LEU O 1 111 GLY N . . 3.000 2.750 2.666 2.815 . 0 0 "[ . 1 . 2]" 3
77 1 107 PHE O 1 112 TYR H . . 2.000 1.892 1.791 2.001 0.001 20 0 "[ . 1 . 2]" 3
78 1 107 PHE O 1 112 TYR N . . 3.000 2.782 2.705 2.898 . 0 0 "[ . 1 . 2]" 3
79 1 115 MET O 1 118 LEU H . . 2.000 2.009 1.961 2.066 0.066 10 0 "[ . 1 . 2]" 3
80 1 115 MET O 1 118 LEU N . . 3.000 2.766 2.642 2.858 . 0 0 "[ . 1 . 2]" 3
81 1 116 ASP O 1 119 LYS H . . 2.000 1.988 1.827 2.014 0.014 10 0 "[ . 1 . 2]" 3
82 1 116 ASP O 1 119 LYS N . . 3.000 2.837 2.725 2.920 . 0 0 "[ . 1 . 2]" 3
83 1 117 LEU O 1 120 LYS H . . 2.000 2.005 1.991 2.040 0.040 10 0 "[ . 1 . 2]" 3
84 1 117 LEU O 1 120 LYS N . . 3.000 2.891 2.787 2.976 . 0 0 "[ . 1 . 2]" 3
85 1 122 ALA O 1 126 LEU H . . 2.000 2.005 1.988 2.028 0.028 19 0 "[ . 1 . 2]" 3
86 1 122 ALA O 1 126 LEU N . . 3.000 2.909 2.845 2.990 . 0 0 "[ . 1 . 2]" 3
87 1 123 GLU O 1 127 ILE H . . 2.000 1.985 1.863 2.018 0.018 8 0 "[ . 1 . 2]" 3
88 1 123 GLU O 1 127 ILE N . . 3.000 2.908 2.731 2.967 . 0 0 "[ . 1 . 2]" 3
89 1 124 VAL O 1 128 ASN H . . 2.000 2.024 2.010 2.033 0.033 15 0 "[ . 1 . 2]" 3
90 1 124 VAL O 1 128 ASN N . . 3.000 2.711 2.673 2.758 . 0 0 "[ . 1 . 2]" 3
91 1 125 GLU O 1 129 VAL H . . 2.000 1.982 1.809 2.031 0.031 16 0 "[ . 1 . 2]" 3
92 1 125 GLU O 1 129 VAL N . . 3.000 2.722 2.684 2.788 . 0 0 "[ . 1 . 2]" 3
93 1 126 LEU O 1 130 LEU H . . 2.000 2.011 2.002 2.022 0.022 15 0 "[ . 1 . 2]" 3
94 1 126 LEU O 1 130 LEU N . . 3.000 2.753 2.704 2.812 . 0 0 "[ . 1 . 2]" 3
95 1 134 LEU O 1 138 ARG H . . 2.000 1.943 1.808 2.023 0.023 10 0 "[ . 1 . 2]" 3
96 1 134 LEU O 1 138 ARG N . . 3.000 2.843 2.715 2.975 . 0 0 "[ . 1 . 2]" 3
97 1 135 ILE O 1 139 LYS H . . 2.000 1.862 1.772 2.011 0.011 2 0 "[ . 1 . 2]" 3
98 1 135 ILE O 1 139 LYS N . . 3.000 2.739 2.671 2.849 . 0 0 "[ . 1 . 2]" 3
99 1 136 GLY O 1 140 ARG H . . 2.000 1.937 1.788 2.032 0.032 17 0 "[ . 1 . 2]" 3
100 1 136 GLY O 1 140 ARG N . . 3.000 2.876 2.712 3.000 . 0 0 "[ . 1 . 2]" 3
101 1 137 HIS O 1 141 ILE H . . 2.000 1.989 1.881 2.039 0.039 12 0 "[ . 1 . 2]" 3
102 1 137 HIS O 1 141 ILE N . . 3.000 2.949 2.823 3.003 0.003 2 0 "[ . 1 . 2]" 3
103 1 138 ARG O 1 142 LEU H . . 2.000 1.913 1.788 2.037 0.037 2 0 "[ . 1 . 2]" 3
104 1 138 ARG O 1 142 LEU N . . 3.000 2.833 2.720 2.968 . 0 0 "[ . 1 . 2]" 3
105 1 139 LYS O 1 143 ALA H . . 2.000 1.874 1.788 2.001 0.001 13 0 "[ . 1 . 2]" 3
106 1 139 LYS O 1 143 ALA N . . 3.000 2.786 2.725 2.927 . 0 0 "[ . 1 . 2]" 3
107 1 140 ARG O 1 144 SER H . . 2.000 2.000 1.870 2.031 0.031 17 0 "[ . 1 . 2]" 3
108 1 140 ARG O 1 144 SER N . . 3.000 2.890 2.794 2.964 . 0 0 "[ . 1 . 2]" 3
109 1 141 ILE O 1 145 LEU H . . 2.000 1.955 1.823 2.017 0.017 17 0 "[ . 1 . 2]" 3
110 1 141 ILE O 1 145 LEU N . . 3.000 2.887 2.778 2.981 . 0 0 "[ . 1 . 2]" 3
111 1 142 LEU O 1 146 GLY H . . 2.000 1.951 1.811 2.009 0.009 11 0 "[ . 1 . 2]" 3
112 1 142 LEU O 1 146 GLY N . . 3.000 2.848 2.746 2.969 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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