NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593616 |
2rv8   |
11590 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rv8
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 752
_Distance_constraint_stats_list.Viol_count 1424
_Distance_constraint_stats_list.Viol_total 2023.526
_Distance_constraint_stats_list.Viol_max 0.467
_Distance_constraint_stats_list.Viol_rms 0.0156
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0474
_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 29 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 30 VAL 3.792 0.128 5 0 "[ . 1 . 2 . 3]"
1 31 ARG 4.718 0.223 16 0 "[ . 1 . 2 . 3]"
1 32 LEU 3.036 0.271 18 0 "[ . 1 . 2 . 3]"
1 33 THR 1.946 0.079 4 0 "[ . 1 . 2 . 3]"
1 34 PHE 1.342 0.093 9 0 "[ . 1 . 2 . 3]"
1 35 ALA 1.104 0.092 3 0 "[ . 1 . 2 . 3]"
1 36 ASP 4.139 0.164 16 0 "[ . 1 . 2 . 3]"
1 37 ILE 5.538 0.240 29 0 "[ . 1 . 2 . 3]"
1 38 GLU 1.224 0.079 4 0 "[ . 1 . 2 . 3]"
1 39 LEU 1.719 0.065 30 0 "[ . 1 . 2 . 3]"
1 40 ASP 1.023 0.160 8 0 "[ . 1 . 2 . 3]"
1 41 GLU 1.088 0.064 15 0 "[ . 1 . 2 . 3]"
1 42 GLU 0.456 0.092 15 0 "[ . 1 . 2 . 3]"
1 43 THR 0.420 0.055 2 0 "[ . 1 . 2 . 3]"
1 44 HIS 0.569 0.092 15 0 "[ . 1 . 2 . 3]"
1 45 GLU 0.082 0.046 28 0 "[ . 1 . 2 . 3]"
1 46 VAL 2.390 0.094 17 0 "[ . 1 . 2 . 3]"
1 47 TRP 5.044 0.163 30 0 "[ . 1 . 2 . 3]"
1 48 LYS 0.098 0.044 20 0 "[ . 1 . 2 . 3]"
1 49 ALA 0.842 0.090 11 0 "[ . 1 . 2 . 3]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 GLN 0.720 0.087 23 0 "[ . 1 . 2 . 3]"
1 52 PRO 2.850 0.163 30 0 "[ . 1 . 2 . 3]"
1 53 VAL 2.759 0.095 8 0 "[ . 1 . 2 . 3]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 LEU 1.334 0.156 19 0 "[ . 1 . 2 . 3]"
1 56 SER 0.013 0.007 13 0 "[ . 1 . 2 . 3]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 THR 0.061 0.024 16 0 "[ . 1 . 2 . 3]"
1 59 GLU 0.195 0.042 26 0 "[ . 1 . 2 . 3]"
1 60 PHE 0.059 0.035 2 0 "[ . 1 . 2 . 3]"
1 61 THR 0.503 0.070 8 0 "[ . 1 . 2 . 3]"
1 62 LEU 0.532 0.056 15 0 "[ . 1 . 2 . 3]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 TYR 0.162 0.037 6 0 "[ . 1 . 2 . 3]"
1 66 PHE 0.769 0.066 23 0 "[ . 1 . 2 . 3]"
1 67 VAL 1.785 0.093 9 0 "[ . 1 . 2 . 3]"
1 68 ILE 1.968 0.132 6 0 "[ . 1 . 2 . 3]"
1 69 ASN 1.985 0.132 6 0 "[ . 1 . 2 . 3]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 GLY 0.136 0.054 19 0 "[ . 1 . 2 . 3]"
1 72 THR 0.317 0.075 12 0 "[ . 1 . 2 . 3]"
1 73 VAL 1.776 0.076 19 0 "[ . 1 . 2 . 3]"
1 74 LEU 0.833 0.101 22 0 "[ . 1 . 2 . 3]"
1 75 SER 3.581 0.156 19 0 "[ . 1 . 2 . 3]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 77 PRO 3.612 0.156 19 0 "[ . 1 . 2 . 3]"
1 78 LYS 0.071 0.046 28 0 "[ . 1 . 2 . 3]"
1 79 ILE 1.786 0.098 8 0 "[ . 1 . 2 . 3]"
1 80 LEU 2.658 0.119 24 0 "[ . 1 . 2 . 3]"
1 81 ASP 0.075 0.046 28 0 "[ . 1 . 2 . 3]"
1 82 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 83 VAL 0.650 0.102 16 0 "[ . 1 . 2 . 3]"
1 84 TRP 0.289 0.056 15 0 "[ . 1 . 2 . 3]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 86 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 87 ASP 0.584 0.086 30 0 "[ . 1 . 2 . 3]"
1 88 PHE 0.535 0.119 24 0 "[ . 1 . 2 . 3]"
1 89 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 90 GLY 1.237 0.467 24 0 "[ . 1 . 2 . 3]"
1 91 ASP 4.404 0.467 24 0 "[ . 1 . 2 . 3]"
1 92 VAL 3.399 0.178 5 0 "[ . 1 . 2 . 3]"
1 93 ASN 1.077 0.093 28 0 "[ . 1 . 2 . 3]"
1 94 VAL 0.090 0.038 20 0 "[ . 1 . 2 . 3]"
1 95 VAL 0.560 0.061 2 0 "[ . 1 . 2 . 3]"
1 96 GLU 0.170 0.061 2 0 "[ . 1 . 2 . 3]"
1 97 SER 1.304 0.093 28 0 "[ . 1 . 2 . 3]"
1 98 TYR 0.003 0.003 19 0 "[ . 1 . 2 . 3]"
1 99 VAL 0.401 0.048 28 0 "[ . 1 . 2 . 3]"
1 100 SER 0.126 0.048 28 0 "[ . 1 . 2 . 3]"
1 101 TYR 0.332 0.131 3 0 "[ . 1 . 2 . 3]"
1 102 LEU 1.262 0.131 3 0 "[ . 1 . 2 . 3]"
1 103 ARG 0.289 0.093 12 0 "[ . 1 . 2 . 3]"
1 104 ARG 0.763 0.084 1 0 "[ . 1 . 2 . 3]"
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 106 ILE 1.741 0.104 9 0 "[ . 1 . 2 . 3]"
1 107 ASP 0.529 0.095 1 0 "[ . 1 . 2 . 3]"
1 108 THR 1.801 0.151 23 0 "[ . 1 . 2 . 3]"
1 109 GLY 0.228 0.053 22 0 "[ . 1 . 2 . 3]"
1 110 GLU 0.523 0.088 7 0 "[ . 1 . 2 . 3]"
1 111 LYS 0.801 0.088 7 0 "[ . 1 . 2 . 3]"
1 112 ARG 1.854 0.102 14 0 "[ . 1 . 2 . 3]"
1 113 LEU 3.039 0.234 5 0 "[ . 1 . 2 . 3]"
1 114 LEU 1.470 0.234 5 0 "[ . 1 . 2 . 3]"
1 115 HIS 3.500 0.195 29 0 "[ . 1 . 2 . 3]"
1 116 THR 0.298 0.082 8 0 "[ . 1 . 2 . 3]"
1 117 LEU 0.759 0.157 18 0 "[ . 1 . 2 . 3]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 120 VAL 0.213 0.068 26 0 "[ . 1 . 2 . 3]"
1 121 GLY 0.331 0.064 20 0 "[ . 1 . 2 . 3]"
1 122 TYR 0.681 0.082 8 0 "[ . 1 . 2 . 3]"
1 123 VAL 5.645 0.195 29 0 "[ . 1 . 2 . 3]"
1 124 LEU 1.171 0.100 25 0 "[ . 1 . 2 . 3]"
1 125 ARG 4.914 0.164 21 0 "[ . 1 . 2 . 3]"
1 126 GLU 0.242 0.144 16 0 "[ . 1 . 2 . 3]"
1 127 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 29 ASN H 1 30 VAL H 4.870 . 4.870 4.256 3.088 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 29 ASN HA 1 30 VAL H 2.830 . 2.830 2.240 2.130 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 29 ASN HA 1 30 VAL QG 5.500 . 5.500 3.209 3.016 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 29 ASN QB 1 30 VAL H 4.190 . 4.190 3.233 2.061 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 30 VAL H 1 30 VAL HB 3.310 . 3.310 3.233 2.891 3.438 0.128 5 0 "[ . 1 . 2 . 3]" 1
6 1 30 VAL H 1 30 VAL QG 3.230 . 3.230 1.740 1.685 1.864 0.115 5 0 "[ . 1 . 2 . 3]" 1
7 1 30 VAL H 1 31 ARG QG 4.740 . 4.740 4.006 3.615 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 30 VAL HA 1 30 VAL HB 2.930 . 2.930 2.714 2.295 2.950 0.020 8 0 "[ . 1 . 2 . 3]" 1
9 1 30 VAL HA 1 30 VAL QG 2.860 . 2.860 2.152 2.059 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 30 VAL HA 1 31 ARG H 2.910 . 2.910 2.157 2.132 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 30 VAL HB 1 31 ARG H 3.760 . 3.760 3.781 3.289 3.867 0.107 13 0 "[ . 1 . 2 . 3]" 1
12 1 30 VAL QG 1 31 ARG H 3.710 . 3.710 3.042 2.005 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 30 VAL QG 1 31 ARG HA 5.500 . 5.500 4.131 2.950 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 30 VAL QG 1 41 GLU H 4.930 . 4.930 4.245 3.515 4.944 0.014 5 0 "[ . 1 . 2 . 3]" 1
15 1 30 VAL QG 1 41 GLU QG 5.500 . 5.500 3.706 2.289 5.427 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 30 VAL QG 1 42 GLU H 4.730 . 4.730 4.357 3.673 4.736 0.006 24 0 "[ . 1 . 2 . 3]" 1
17 1 30 VAL QG 1 42 GLU QG 3.800 . 3.800 3.376 2.245 3.811 0.011 2 0 "[ . 1 . 2 . 3]" 1
18 1 31 ARG H 1 31 ARG QG 3.050 . 3.050 2.612 2.091 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 31 ARG H 1 32 LEU H 4.200 . 4.200 4.266 4.159 4.423 0.223 16 0 "[ . 1 . 2 . 3]" 1
20 1 31 ARG HA 1 31 ARG QG 3.810 . 3.810 2.693 2.339 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 31 ARG HA 1 32 LEU H 3.180 . 3.180 2.218 2.129 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 31 ARG HA 1 40 ASP HA 3.300 . 3.300 2.825 2.485 3.339 0.039 24 0 "[ . 1 . 2 . 3]" 1
23 1 31 ARG HA 1 41 GLU H 4.580 . 4.580 2.973 2.461 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 31 ARG QB 1 41 GLU H 4.500 . 4.500 4.230 2.816 4.553 0.053 4 0 "[ . 1 . 2 . 3]" 1
25 1 31 ARG QD 1 40 ASP HA 3.300 . 3.300 3.271 2.608 3.460 0.160 8 0 "[ . 1 . 2 . 3]" 1
26 1 31 ARG QG 1 40 ASP HA 5.000 . 5.000 3.388 2.440 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 32 LEU H 1 32 LEU QB 3.720 . 3.720 2.306 2.119 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 32 LEU H 1 32 LEU QD 4.210 . 4.210 3.076 2.272 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 32 LEU H 1 33 THR H 4.690 . 4.690 4.560 4.253 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 32 LEU H 1 38 GLU QG 5.040 . 5.040 4.625 3.821 5.064 0.024 24 0 "[ . 1 . 2 . 3]" 1
31 1 32 LEU H 1 39 LEU H 4.320 . 4.320 3.334 3.008 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 32 LEU HA 1 32 LEU QD 3.080 . 3.080 2.210 1.899 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 32 LEU HA 1 32 LEU HG 3.210 . 3.210 2.609 2.281 3.481 0.271 18 0 "[ . 1 . 2 . 3]" 1
34 1 32 LEU HA 1 33 THR H 2.870 . 2.870 2.286 2.182 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 32 LEU QB 1 33 THR H 3.690 . 3.690 2.809 2.465 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 32 LEU QB 1 39 LEU H 4.790 . 4.790 3.649 3.231 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 32 LEU QB 1 39 LEU QD 6.000 . 6.000 2.715 1.966 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 32 LEU QD 1 33 THR H 3.860 . 3.860 2.908 1.787 3.887 0.027 5 0 "[ . 1 . 2 . 3]" 1
39 1 32 LEU QD 1 41 GLU QG 3.800 . 3.800 3.304 2.347 3.848 0.048 24 0 "[ . 1 . 2 . 3]" 1
40 1 32 LEU QD 1 68 ILE HA 5.500 . 5.500 3.714 3.161 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 33 THR H 1 33 THR HB 3.720 . 3.720 3.178 2.898 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 33 THR H 1 33 THR MG 3.960 . 3.960 3.861 3.526 3.985 0.025 13 0 "[ . 1 . 2 . 3]" 1
43 1 33 THR H 1 67 VAL QG 4.650 . 4.650 3.356 2.959 3.901 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 33 THR HA 1 33 THR HB 2.990 . 2.990 2.922 2.710 3.015 0.025 1 0 "[ . 1 . 2 . 3]" 1
45 1 33 THR HA 1 33 THR MG 3.010 . 3.010 2.202 2.122 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 33 THR HA 1 34 PHE H 2.950 . 2.950 2.317 2.251 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 33 THR HA 1 38 GLU QG 3.300 . 3.300 3.303 3.186 3.371 0.071 25 0 "[ . 1 . 2 . 3]" 1
48 1 33 THR HB 1 34 PHE H 3.590 . 3.590 3.266 2.712 3.610 0.020 1 0 "[ . 1 . 2 . 3]" 1
49 1 33 THR HB 1 38 GLU HA 5.000 . 5.000 5.012 4.943 5.079 0.079 4 0 "[ . 1 . 2 . 3]" 1
50 1 33 THR HB 1 38 GLU QG 5.000 . 5.000 4.489 4.297 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 33 THR MG 1 34 PHE H 3.970 . 3.970 2.207 1.760 3.136 0.040 2 0 "[ . 1 . 2 . 3]" 1
52 1 33 THR MG 1 36 ASP HA 5.500 . 5.500 4.665 4.256 5.506 0.006 3 0 "[ . 1 . 2 . 3]" 1
53 1 33 THR MG 1 38 GLU HA 3.200 . 3.200 2.820 2.702 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 33 THR MG 1 39 LEU H 4.610 . 4.610 4.204 3.605 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 34 PHE H 1 37 ILE H 4.000 . 4.000 2.751 2.592 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 34 PHE HA 1 35 ALA H 3.020 . 3.020 2.198 2.160 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 34 PHE HA 1 35 ALA MB 6.000 . 6.000 4.119 4.029 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 34 PHE HA 1 67 VAL QG 3.800 . 3.800 3.830 3.721 3.893 0.093 9 0 "[ . 1 . 2 . 3]" 1
59 1 34 PHE HA 1 124 LEU QD 6.000 . 6.000 5.385 4.810 6.063 0.063 19 0 "[ . 1 . 2 . 3]" 1
60 1 34 PHE QB 1 35 ALA H 4.240 . 4.240 3.710 3.453 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 34 PHE QB 1 35 ALA MB 5.500 . 5.500 3.879 3.377 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 34 PHE QB 1 37 ILE MD 5.500 . 5.500 3.395 2.970 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 34 PHE QB 1 67 VAL QG 3.800 . 3.800 2.038 1.912 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 34 PHE QB 1 70 ALA MB 5.500 . 5.500 3.929 3.532 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 34 PHE QB 1 124 LEU QD 5.500 . 5.500 3.778 3.419 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 35 ALA H 1 35 ALA HA 2.900 . 2.900 2.332 2.326 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 35 ALA H 1 35 ALA MB 3.520 . 3.520 2.758 2.712 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 35 ALA H 1 36 ASP H 4.630 . 4.630 4.278 4.183 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 35 ALA H 1 37 ILE H 5.230 . 5.230 4.659 4.551 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 35 ALA HA 1 36 ASP HA 6.000 . 6.000 4.556 4.446 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 35 ALA HA 1 113 LEU QD 6.000 . 6.000 4.728 3.669 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 35 ALA MB 1 36 ASP H 3.060 . 3.060 1.794 1.745 1.845 0.055 9 0 "[ . 1 . 2 . 3]" 1
73 1 35 ALA MB 1 37 ILE H 4.070 . 4.070 3.809 3.513 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 35 ALA MB 1 113 LEU HA 5.500 . 5.500 5.493 5.263 5.592 0.092 3 0 "[ . 1 . 2 . 3]" 1
75 1 35 ALA MB 1 113 LEU QD 3.700 . 3.700 2.489 1.850 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 35 ALA MB 1 113 LEU HG 5.500 . 5.500 4.804 3.737 5.505 0.005 24 0 "[ . 1 . 2 . 3]" 1
77 1 35 ALA MB 1 126 GLU HA 6.000 . 6.000 4.431 3.506 5.407 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 35 ALA MB 1 126 GLU QG 3.800 . 3.800 2.425 2.016 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 36 ASP H 1 37 ILE MG 4.810 . 4.810 4.911 4.842 4.974 0.164 16 0 "[ . 1 . 2 . 3]" 1
80 1 36 ASP H 1 49 ALA MB 5.500 . 5.500 5.432 5.189 5.554 0.054 4 0 "[ . 1 . 2 . 3]" 1
81 1 36 ASP HA 1 49 ALA HA 5.000 . 5.000 4.869 4.611 5.012 0.012 19 0 "[ . 1 . 2 . 3]" 1
82 1 36 ASP HA 1 49 ALA MB 5.500 . 5.500 4.484 4.299 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 36 ASP QB 1 37 ILE H 4.560 . 4.560 3.953 3.893 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 36 ASP QB 1 49 ALA H 4.450 . 4.450 2.906 2.639 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 36 ASP QB 1 49 ALA HA 3.300 . 3.300 3.288 3.131 3.390 0.090 11 0 "[ . 1 . 2 . 3]" 1
86 1 36 ASP QB 1 49 ALA MB 3.800 . 3.800 2.299 2.187 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 37 ILE H 1 37 ILE QG 3.790 . 3.790 3.442 2.412 4.030 0.240 29 0 "[ . 1 . 2 . 3]" 1
88 1 37 ILE H 1 37 ILE MG 3.830 . 3.830 3.461 2.878 3.943 0.113 16 0 "[ . 1 . 2 . 3]" 1
89 1 37 ILE HA 1 37 ILE MD 4.120 . 4.120 3.651 2.207 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 37 ILE HA 1 37 ILE QG 3.660 . 3.660 2.302 2.114 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 37 ILE HA 1 37 ILE MG 3.270 . 3.270 2.686 2.146 3.066 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 37 ILE HA 1 38 GLU H 3.260 . 3.260 2.275 2.213 2.343 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 37 ILE HA 1 48 LYS HA 3.300 . 3.300 2.471 2.284 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 37 ILE HB 1 37 ILE MD 3.450 . 3.450 2.369 2.210 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 37 ILE HB 1 113 LEU QD 6.000 . 6.000 5.115 4.372 6.065 0.065 20 0 "[ . 1 . 2 . 3]" 1
96 1 37 ILE MD 1 38 GLU H 5.500 . 5.500 4.462 3.869 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 37 ILE MD 1 106 ILE HA 5.500 . 5.500 5.322 4.757 5.518 0.018 11 0 "[ . 1 . 2 . 3]" 1
98 1 37 ILE MD 1 124 LEU QD 4.300 . 4.300 3.871 3.434 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 37 ILE MG 1 38 GLU H 4.180 . 4.180 2.331 1.846 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 37 ILE MG 1 38 GLU HA 5.500 . 5.500 3.388 3.029 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 38 GLU H 1 47 TRP H 4.370 . 4.370 2.712 2.561 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 38 GLU H 1 47 TRP QB 4.740 . 4.740 3.352 2.835 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 38 GLU H 1 48 LYS HA 5.170 . 5.170 3.749 3.496 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 38 GLU HA 1 39 LEU H 3.150 . 3.150 2.206 2.152 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 38 GLU QB 1 47 TRP H 4.730 . 4.730 3.375 3.039 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 38 GLU QB 1 47 TRP QB 3.300 . 3.300 2.110 1.931 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 39 LEU H 1 39 LEU QB 3.310 . 3.310 2.653 2.412 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 39 LEU H 1 39 LEU QD 4.550 . 4.550 3.009 1.853 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 39 LEU HA 1 39 LEU HG 4.050 . 4.050 2.359 2.257 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 39 LEU HA 1 40 ASP H 3.260 . 3.260 2.189 2.148 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 39 LEU HA 1 46 VAL H 4.960 . 4.960 4.984 4.887 5.025 0.065 30 0 "[ . 1 . 2 . 3]" 1
112 1 39 LEU HA 1 46 VAL HA 2.700 . 2.700 2.504 2.418 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 39 LEU HA 1 46 VAL QG 3.200 . 3.200 3.155 3.055 3.244 0.044 24 0 "[ . 1 . 2 . 3]" 1
114 1 39 LEU HA 1 47 TRP H 4.550 . 4.550 3.818 3.509 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 39 LEU QB 1 40 ASP H 3.690 . 3.690 3.152 2.688 3.696 0.006 28 0 "[ . 1 . 2 . 3]" 1
116 1 39 LEU QB 1 46 VAL HA 5.000 . 5.000 4.191 3.590 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 39 LEU QB 1 46 VAL QG 3.800 . 3.800 3.545 3.066 3.835 0.035 30 0 "[ . 1 . 2 . 3]" 1
118 1 39 LEU QD 1 41 GLU HA 5.500 . 5.500 5.306 3.418 5.564 0.064 15 0 "[ . 1 . 2 . 3]" 1
119 1 39 LEU QD 1 41 GLU QG 6.000 . 6.000 4.576 3.065 5.778 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 39 LEU QD 1 46 VAL QG 4.300 . 4.300 2.033 1.756 2.976 0.044 25 0 "[ . 1 . 2 . 3]" 1
121 1 39 LEU QD 1 63 LEU H 5.500 . 5.500 4.797 4.315 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 39 LEU QD 1 63 LEU QB 6.000 . 6.000 2.564 2.070 3.094 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 39 LEU QD 1 64 ARG H 4.820 . 4.820 3.654 3.157 4.199 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 39 LEU QD 1 64 ARG HA 3.800 . 3.800 2.898 2.292 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 39 LEU QD 1 64 ARG QB 6.000 . 6.000 3.325 2.310 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 39 LEU QD 1 67 VAL HB 3.800 . 3.800 3.730 3.570 3.843 0.043 6 0 "[ . 1 . 2 . 3]" 1
127 1 39 LEU HG 1 46 VAL HA 6.000 . 6.000 3.078 2.695 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 39 LEU HG 1 46 VAL QG 3.800 . 3.800 2.351 2.102 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 40 ASP H 1 40 ASP QB 3.800 . 3.800 2.519 2.256 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 40 ASP H 1 45 GLU H 4.390 . 4.390 2.801 2.524 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 40 ASP H 1 46 VAL HA 4.560 . 4.560 3.737 3.551 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 40 ASP HA 1 41 GLU H 3.210 . 3.210 2.163 2.135 2.206 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 40 ASP HA 1 42 GLU H 4.320 . 4.320 3.397 3.247 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 40 ASP QB 1 41 GLU H 5.010 . 5.010 3.663 3.439 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 40 ASP QB 1 44 HIS H 4.730 . 4.730 3.446 3.051 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 40 ASP QB 1 45 GLU H 3.990 . 3.990 2.489 1.855 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 40 ASP QB 1 45 GLU QB 6.000 . 6.000 2.948 2.324 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 41 GLU H 1 41 GLU QB 3.310 . 3.310 2.396 2.042 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 41 GLU H 1 41 GLU QG 3.910 . 3.910 2.407 1.771 3.499 0.029 3 0 "[ . 1 . 2 . 3]" 1
140 1 41 GLU H 1 42 GLU H 4.100 . 4.100 2.615 2.551 2.678 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 41 GLU H 1 43 THR H 5.110 . 5.110 4.486 4.258 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 41 GLU HA 1 41 GLU QG 3.570 . 3.570 2.464 2.124 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 42 GLU H 1 42 GLU QB 2.910 . 2.910 2.269 2.060 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 42 GLU H 1 43 THR H 3.420 . 3.420 2.495 2.129 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 42 GLU H 1 43 THR MG 4.600 . 4.600 4.386 3.473 4.644 0.044 15 0 "[ . 1 . 2 . 3]" 1
146 1 42 GLU H 1 44 HIS H 4.200 . 4.200 3.449 3.178 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 42 GLU HA 1 42 GLU QB 2.550 . 2.550 2.470 2.347 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 42 GLU HA 1 42 GLU QG 3.300 . 3.300 2.279 2.121 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 42 GLU QB 1 43 THR H 3.350 . 3.350 2.532 2.290 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 42 GLU QB 1 43 THR MG 3.200 . 3.200 2.639 2.281 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 42 GLU QB 1 44 HIS H 4.280 . 4.280 4.249 4.148 4.372 0.092 15 0 "[ . 1 . 2 . 3]" 1
152 1 43 THR H 1 43 THR MG 3.730 . 3.730 2.601 2.041 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 43 THR H 1 44 HIS H 3.640 . 3.640 2.330 1.745 2.531 0.055 2 0 "[ . 1 . 2 . 3]" 1
154 1 43 THR H 1 44 HIS HA 4.540 . 4.540 4.427 4.037 4.572 0.032 10 0 "[ . 1 . 2 . 3]" 1
155 1 43 THR H 1 45 GLU H 4.610 . 4.610 3.909 3.681 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 43 THR HA 1 43 THR MG 3.080 . 3.080 2.319 2.206 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 43 THR HB 1 45 GLU QG 3.300 . 3.300 3.086 2.404 3.346 0.046 28 0 "[ . 1 . 2 . 3]" 1
158 1 43 THR MG 1 44 HIS H 4.430 . 4.430 4.170 3.838 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 44 HIS H 1 45 GLU H 3.640 . 3.640 3.005 2.467 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 44 HIS HA 1 46 VAL QG 5.500 . 5.500 4.900 4.645 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 45 GLU H 1 45 GLU QB 3.810 . 3.810 2.510 2.314 3.191 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 45 GLU H 1 45 GLU QG 4.070 . 4.070 3.222 1.880 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 45 GLU HA 1 45 GLU QG 3.630 . 3.630 2.415 2.160 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 45 GLU HA 1 46 VAL H 3.060 . 3.060 2.338 2.271 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 45 GLU HA 1 46 VAL QG 5.500 . 5.500 3.216 3.004 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 45 GLU QB 1 46 VAL H 3.800 . 3.800 2.623 2.456 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 46 VAL H 1 46 VAL HB 3.460 . 3.460 2.764 2.620 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 46 VAL H 1 46 VAL QG 4.010 . 4.010 2.530 2.255 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 46 VAL H 1 47 TRP H 4.750 . 4.750 4.484 4.436 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 46 VAL HA 1 47 TRP H 3.450 . 3.450 2.308 2.265 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 46 VAL HB 1 53 VAL HB 3.300 . 3.300 3.335 3.246 3.394 0.094 17 0 "[ . 1 . 2 . 3]" 1
172 1 46 VAL QG 1 47 TRP H 4.130 . 4.130 1.923 1.753 2.179 0.047 30 0 "[ . 1 . 2 . 3]" 1
173 1 46 VAL QG 1 53 VAL HB 6.000 . 6.000 3.403 3.083 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 46 VAL QG 1 55 LEU QD 3.700 . 3.700 2.071 1.758 2.484 0.042 19 0 "[ . 1 . 2 . 3]" 1
175 1 47 TRP HA 1 48 LYS H 3.270 . 3.270 2.154 2.140 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 47 TRP HA 1 52 PRO HA 2.700 . 2.700 2.239 2.202 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 47 TRP HA 1 52 PRO QB 3.300 . 3.300 3.395 3.352 3.463 0.163 30 0 "[ . 1 . 2 . 3]" 1
178 1 47 TRP HA 1 53 VAL QG 3.800 . 3.800 3.852 3.779 3.895 0.095 8 0 "[ . 1 . 2 . 3]" 1
179 1 47 TRP QB 1 48 LYS H 4.340 . 4.340 3.505 3.312 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 47 TRP QB 1 50 GLY H 5.110 . 5.110 4.391 4.113 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 47 TRP QB 1 51 GLN H 4.690 . 4.690 4.670 4.406 4.744 0.054 15 0 "[ . 1 . 2 . 3]" 1
182 1 47 TRP HD1 1 51 GLN H 4.990 . 4.990 2.817 2.084 5.077 0.087 23 0 "[ . 1 . 2 . 3]" 1
183 1 48 LYS H 1 48 LYS QB 3.790 . 3.790 2.514 2.357 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 48 LYS H 1 51 GLN H 3.630 . 3.630 2.616 2.449 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 48 LYS HA 1 49 ALA H 3.600 . 3.600 2.148 2.139 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 48 LYS HA 1 49 ALA MB 5.500 . 5.500 3.970 3.920 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 48 LYS HA 1 106 ILE MD 6.000 . 6.000 5.398 4.388 6.044 0.044 20 0 "[ . 1 . 2 . 3]" 1
188 1 48 LYS QE 1 107 ASP HA 6.000 . 6.000 4.285 2.972 6.004 0.004 25 0 "[ . 1 . 2 . 3]" 1
189 1 49 ALA H 1 50 GLY H 4.040 . 4.040 3.315 3.199 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 49 ALA H 1 51 GLN H 5.150 . 5.150 4.056 3.978 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 49 ALA HA 1 50 GLY H 3.270 . 3.270 2.528 2.444 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 49 ALA HA 1 51 GLN H 4.320 . 4.320 4.274 4.096 4.394 0.074 8 0 "[ . 1 . 2 . 3]" 1
193 1 49 ALA MB 1 50 GLY H 4.450 . 4.450 3.719 3.703 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 49 ALA MB 1 51 GLN H 4.500 . 4.500 4.037 3.884 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 49 ALA MB 1 51 GLN QG 5.500 . 5.500 4.405 2.599 5.495 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 50 GLY H 1 51 GLN H 3.690 . 3.690 2.654 2.529 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 51 GLN H 1 51 GLN QB 3.350 . 3.350 2.675 2.569 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 51 GLN HA 1 51 GLN QG 3.750 . 3.750 2.358 2.198 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 51 GLN HA 1 52 PRO QD 2.700 . 2.700 2.084 2.052 2.105 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 51 GLN QG 1 52 PRO QD 6.000 . 6.000 3.496 2.833 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 53 VAL HA 1 53 VAL QG 3.230 . 3.230 2.077 2.061 2.094 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 53 VAL HA 1 54 SER H 3.120 . 3.120 2.196 2.141 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 53 VAL HB 1 54 SER H 4.560 . 4.560 3.691 3.487 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 53 VAL QG 1 106 ILE HA 3.800 . 3.800 3.652 3.216 3.841 0.041 11 0 "[ . 1 . 2 . 3]" 1
205 1 54 SER HA 1 55 LEU H 2.870 . 2.870 2.243 2.156 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 55 LEU H 1 55 LEU QB 3.580 . 3.580 2.534 2.210 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 55 LEU H 1 55 LEU QD 4.450 . 4.450 2.746 1.663 3.775 0.137 19 0 "[ . 1 . 2 . 3]" 1
208 1 55 LEU H 1 55 LEU HG 4.080 . 4.080 2.990 1.774 4.144 0.064 22 0 "[ . 1 . 2 . 3]" 1
209 1 55 LEU H 1 56 SER H 4.930 . 4.930 4.483 3.787 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 55 LEU HA 1 55 LEU QD 3.080 . 3.080 2.472 2.059 3.236 0.156 19 0 "[ . 1 . 2 . 3]" 1
211 1 55 LEU HA 1 55 LEU HG 3.860 . 3.860 2.782 2.258 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 55 LEU QB 1 55 LEU HG 2.630 . 2.630 2.426 2.370 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 55 LEU QB 1 56 SER H 4.360 . 4.360 2.838 2.595 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 55 LEU QB 1 60 PHE H 4.180 . 4.180 3.295 2.868 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 55 LEU QD 1 56 SER H 4.270 . 4.270 3.613 2.391 4.277 0.007 13 0 "[ . 1 . 2 . 3]" 1
216 1 55 LEU QD 1 59 GLU H 4.970 . 4.970 4.779 4.237 5.012 0.042 26 0 "[ . 1 . 2 . 3]" 1
217 1 55 LEU QD 1 59 GLU QB 3.200 . 3.200 2.340 1.896 3.209 0.009 14 0 "[ . 1 . 2 . 3]" 1
218 1 55 LEU QD 1 59 GLU QG 5.500 . 5.500 3.562 2.155 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 55 LEU QD 1 60 PHE HA 3.200 . 3.200 2.949 2.181 3.235 0.035 2 0 "[ . 1 . 2 . 3]" 1
220 1 55 LEU HG 1 56 SER H 5.140 . 5.140 4.396 3.429 5.146 0.006 26 0 "[ . 1 . 2 . 3]" 1
221 1 56 SER H 1 59 GLU H 4.630 . 4.630 3.954 3.691 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 56 SER H 1 59 GLU QB 4.050 . 4.050 2.660 2.090 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 56 SER HA 1 57 PRO QD 3.300 . 3.300 2.177 2.142 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 56 SER QB 1 59 GLU H 5.500 . 5.500 3.273 2.831 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 58 THR HA 1 58 THR MG 3.240 . 3.240 2.215 2.109 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 58 THR HA 1 83 VAL QG 3.800 . 3.800 3.249 2.594 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 58 THR HB 1 83 VAL QG 6.000 . 6.000 4.206 2.570 5.719 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 58 THR HB 1 98 TYR QE 5.000 . 5.000 3.650 2.424 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 58 THR MG 1 59 GLU H 5.030 . 5.030 3.672 2.766 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 58 THR MG 1 61 THR HB 5.500 . 5.500 4.187 3.660 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 58 THR MG 1 83 VAL QG 3.700 . 3.700 2.440 1.980 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 58 THR MG 1 84 TRP HZ2 5.500 . 5.500 5.114 4.240 5.524 0.024 16 0 "[ . 1 . 2 . 3]" 1
233 1 59 GLU H 1 59 GLU QB 3.620 . 3.620 2.424 2.108 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 59 GLU H 1 59 GLU QG 4.540 . 4.540 2.414 1.767 3.916 0.033 6 0 "[ . 1 . 2 . 3]" 1
235 1 59 GLU H 1 60 PHE H 3.770 . 3.770 2.683 2.582 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 59 GLU HA 1 59 GLU QG 3.730 . 3.730 2.457 2.166 3.389 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 59 GLU HA 1 62 LEU QB 5.000 . 5.000 2.682 2.387 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 59 GLU HA 1 102 LEU QD 3.800 . 3.800 3.202 2.581 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 59 GLU QB 1 60 PHE H 4.370 . 4.370 2.656 2.531 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 59 GLU QG 1 102 LEU QD 5.500 . 5.500 2.625 2.051 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 60 PHE H 1 61 THR H 3.880 . 3.880 2.739 2.646 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 60 PHE HA 1 63 LEU H 4.940 . 4.940 3.581 3.470 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 61 THR H 1 61 THR HB 3.350 . 3.350 2.396 2.199 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 61 THR H 1 61 THR MG 4.350 . 4.350 3.701 3.617 3.747 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 61 THR H 1 83 VAL QG 5.320 . 5.320 4.543 4.167 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 61 THR HA 1 61 THR MG 3.280 . 3.280 2.442 2.257 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 61 THR HA 1 64 ARG H 4.660 . 4.660 3.521 3.422 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 61 THR HA 1 64 ARG QB 6.000 . 6.000 2.632 2.383 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 61 THR HB 1 83 VAL QG 3.800 . 3.800 2.894 2.220 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 61 THR MG 1 62 LEU HA 5.500 . 5.500 3.321 2.943 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 61 THR MG 1 82 HIS HD2 6.000 . 6.000 4.687 2.787 5.980 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 61 THR MG 1 83 VAL H 5.340 . 5.340 5.033 4.669 5.353 0.013 22 0 "[ . 1 . 2 . 3]" 1
253 1 61 THR MG 1 83 VAL HA 3.200 . 3.200 3.201 3.114 3.270 0.070 8 0 "[ . 1 . 2 . 3]" 1
254 1 61 THR MG 1 83 VAL QG 3.700 . 3.700 2.166 1.934 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 62 LEU HA 1 62 LEU QD 3.440 . 3.440 2.358 2.056 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 62 LEU HA 1 62 LEU HG 3.610 . 3.610 2.364 2.259 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 62 LEU HA 1 83 VAL QG 3.200 . 3.200 2.913 2.605 3.231 0.031 16 0 "[ . 1 . 2 . 3]" 1
258 1 62 LEU QB 1 83 VAL QG 5.500 . 5.500 3.132 2.317 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 62 LEU QD 1 83 VAL QG 4.300 . 4.300 2.322 1.798 3.067 0.002 9 0 "[ . 1 . 2 . 3]" 1
260 1 62 LEU QD 1 84 TRP HH2 5.500 . 5.500 5.420 5.112 5.556 0.056 15 0 "[ . 1 . 2 . 3]" 1
261 1 62 LEU QD 1 98 TYR QB 3.800 . 3.800 3.154 2.553 3.803 0.003 19 0 "[ . 1 . 2 . 3]" 1
262 1 62 LEU QD 1 99 VAL HA 3.800 . 3.800 3.756 3.359 3.843 0.043 21 0 "[ . 1 . 2 . 3]" 1
263 1 63 LEU H 1 63 LEU QB 3.680 . 3.680 2.095 2.027 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 63 LEU H 1 63 LEU QD 3.790 . 3.790 2.914 2.142 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 63 LEU H 1 83 VAL QG 5.500 . 5.500 5.222 5.014 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 63 LEU HA 1 63 LEU QD 3.230 . 3.230 2.186 1.909 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 63 LEU HA 1 66 PHE H 4.040 . 4.040 3.460 3.285 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 63 LEU QD 1 64 ARG H 4.440 . 4.440 3.967 3.666 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 63 LEU QD 1 114 LEU QD 6.000 . 6.000 4.055 3.501 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 64 ARG H 1 64 ARG QB 3.620 . 3.620 2.186 2.042 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 64 ARG H 1 65 TYR H 3.780 . 3.780 2.758 2.656 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 64 ARG HA 1 67 VAL HB 3.300 . 3.300 3.064 2.823 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 65 TYR H 1 65 TYR QB 3.430 . 3.430 2.181 2.076 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 65 TYR H 1 66 PHE H 3.840 . 3.840 2.655 2.586 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 65 TYR H 1 67 VAL HB 5.400 . 5.400 5.301 5.124 5.433 0.033 29 0 "[ . 1 . 2 . 3]" 1
276 1 65 TYR QD 1 79 ILE QG 6.000 . 6.000 3.694 3.368 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 65 TYR QE 1 79 ILE HA 5.000 . 5.000 4.732 4.168 5.037 0.037 6 0 "[ . 1 . 2 . 3]" 1
278 1 66 PHE H 1 66 PHE QB 3.480 . 3.480 2.113 2.032 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 66 PHE H 1 67 VAL H 3.680 . 3.680 2.761 2.671 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 66 PHE H 1 67 VAL HB 4.830 . 4.830 4.840 4.779 4.896 0.066 23 0 "[ . 1 . 2 . 3]" 1
281 1 66 PHE H 1 68 ILE H 4.870 . 4.870 4.308 4.196 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 66 PHE HA 1 69 ASN QB 5.000 . 5.000 3.387 2.596 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 66 PHE HA 1 74 LEU QD 3.200 . 3.200 3.063 2.724 3.258 0.058 25 0 "[ . 1 . 2 . 3]" 1
284 1 66 PHE QB 1 67 VAL H 4.330 . 4.330 2.643 2.564 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 66 PHE QB 1 124 LEU QB 5.000 . 5.000 3.772 3.124 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 66 PHE QB 1 124 LEU QD 3.800 . 3.800 2.404 2.064 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 66 PHE QB 1 124 LEU HG 6.000 . 6.000 4.956 3.731 5.738 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 67 VAL H 1 67 VAL HB 3.300 . 3.300 2.380 2.268 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 67 VAL H 1 67 VAL QG 3.350 . 3.350 2.314 2.134 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 67 VAL H 1 68 ILE H 3.800 . 3.800 2.696 2.568 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 67 VAL H 1 69 ASN H 4.820 . 4.820 4.012 3.820 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 67 VAL H 1 124 LEU QD 4.620 . 4.620 4.016 3.664 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 67 VAL HA 1 67 VAL QG 3.150 . 3.150 2.078 2.035 2.107 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 67 VAL HA 1 70 ALA H 4.120 . 4.120 3.446 3.245 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 67 VAL HA 1 70 ALA HA 6.000 . 6.000 4.046 3.863 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 67 VAL HA 1 70 ALA MB 3.800 . 3.800 2.335 2.199 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 67 VAL HA 1 124 LEU QD 3.200 . 3.200 2.931 2.654 3.217 0.017 5 0 "[ . 1 . 2 . 3]" 1
298 1 67 VAL QG 1 124 LEU QD 3.700 . 3.700 3.063 2.740 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 68 ILE H 1 68 ILE HB 3.550 . 3.550 2.543 2.455 3.588 0.038 16 0 "[ . 1 . 2 . 3]" 1
300 1 68 ILE H 1 68 ILE QG 3.410 . 3.410 2.044 1.824 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 68 ILE H 1 69 ASN H 3.470 . 3.470 2.705 2.544 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 68 ILE H 1 70 ALA H 4.660 . 4.660 4.090 4.012 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 68 ILE HA 1 68 ILE QG 3.580 . 3.580 2.497 2.335 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 68 ILE HA 1 68 ILE MG 3.160 . 3.160 2.316 2.261 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 68 ILE HB 1 68 ILE MD 3.200 . 3.200 2.521 2.188 3.209 0.009 5 0 "[ . 1 . 2 . 3]" 1
306 1 68 ILE HB 1 69 ASN H 3.940 . 3.940 2.798 2.570 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 68 ILE QG 1 68 ILE MG 3.290 . 3.290 2.289 2.073 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 68 ILE QG 1 69 ASN H 4.010 . 4.010 4.012 2.179 4.142 0.132 6 0 "[ . 1 . 2 . 3]" 1
309 1 68 ILE MG 1 69 ASN HA 5.500 . 5.500 3.749 3.529 5.485 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 69 ASN H 1 69 ASN QB 3.590 . 3.590 2.496 2.260 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 69 ASN H 1 70 ALA MB 4.870 . 4.870 4.138 4.044 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 69 ASN H 1 74 LEU QD 4.830 . 4.830 4.271 4.012 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 69 ASN HA 1 70 ALA HA 5.000 . 5.000 4.832 4.781 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 69 ASN HA 1 72 THR HB 5.000 . 5.000 3.910 2.777 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 69 ASN HA 1 74 LEU QD 5.500 . 5.500 4.425 4.157 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 69 ASN QB 1 70 ALA H 4.630 . 4.630 3.730 3.625 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 69 ASN QB 1 72 THR H 4.880 . 4.880 3.659 3.513 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 69 ASN QB 1 72 THR HB 2.700 . 2.700 2.431 2.253 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 69 ASN QB 1 72 THR MG 3.800 . 3.800 3.565 3.171 3.864 0.064 8 0 "[ . 1 . 2 . 3]" 1
320 1 69 ASN QB 1 74 LEU QD 3.800 . 3.800 2.225 1.983 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 70 ALA H 1 70 ALA MB 3.080 . 3.080 2.177 2.049 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 70 ALA H 1 71 GLY H 4.550 . 4.550 4.485 4.399 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 70 ALA H 1 72 THR H 4.830 . 4.830 4.584 4.279 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 70 ALA HA 1 71 GLY H 3.320 . 3.320 2.152 2.141 2.166 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 70 ALA HA 1 72 THR H 4.010 . 4.010 3.603 3.473 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 70 ALA HA 1 124 LEU QB 3.300 . 3.300 2.242 2.070 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 70 ALA HA 1 124 LEU QD 3.800 . 3.800 2.702 2.294 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 70 ALA HA 1 124 LEU HG 6.000 . 6.000 4.318 3.214 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 70 ALA MB 1 71 GLY H 4.050 . 4.050 3.267 3.157 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 70 ALA MB 1 124 LEU HA 6.000 . 6.000 5.344 4.936 5.786 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 70 ALA MB 1 124 LEU QB 5.500 . 5.500 2.989 2.436 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 70 ALA MB 1 124 LEU QD 3.700 . 3.700 2.288 1.992 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 70 ALA MB 1 125 ARG HA 5.500 . 5.500 4.665 4.141 5.166 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 71 GLY H 1 72 THR H 3.740 . 3.740 2.548 2.343 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 71 GLY H 1 123 VAL QG 4.530 . 4.530 3.430 3.051 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 71 GLY H 1 124 LEU QD 5.500 . 5.500 3.766 3.372 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 71 GLY H 1 125 ARG QB 4.730 . 4.730 4.597 4.069 4.784 0.054 19 0 "[ . 1 . 2 . 3]" 1
338 1 71 GLY QA 1 123 VAL QG 3.800 . 3.800 3.051 2.695 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 71 GLY QA 1 125 ARG HA 5.000 . 5.000 3.798 3.534 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 71 GLY QA 1 125 ARG QB 5.000 . 5.000 3.131 2.502 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 71 GLY QA 1 125 ARG QD 6.000 . 6.000 4.449 3.576 5.205 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 72 THR H 1 72 THR HB 3.320 . 3.320 2.658 2.337 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 72 THR H 1 72 THR MG 3.920 . 3.920 3.769 3.644 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 72 THR H 1 73 VAL H 4.830 . 4.830 4.492 4.417 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 72 THR H 1 74 LEU QD 5.500 . 5.500 4.057 3.602 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 72 THR H 1 123 VAL QG 4.120 . 4.120 3.863 3.478 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 72 THR HA 1 72 THR MG 3.270 . 3.270 2.257 2.125 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 72 THR HA 1 73 VAL H 2.920 . 2.920 2.160 2.141 2.173 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 72 THR HA 1 123 VAL QG 3.800 . 3.800 3.685 3.385 3.875 0.075 12 0 "[ . 1 . 2 . 3]" 1
350 1 72 THR HB 1 73 VAL H 4.290 . 4.290 4.050 3.676 4.295 0.005 14 0 "[ . 1 . 2 . 3]" 1
351 1 72 THR HB 1 74 LEU QD 3.800 . 3.800 2.916 2.440 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 72 THR MG 1 73 VAL H 3.750 . 3.750 2.527 2.267 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 72 THR MG 1 74 LEU QD 3.700 . 3.700 3.143 2.150 3.732 0.032 28 0 "[ . 1 . 2 . 3]" 1
354 1 73 VAL H 1 73 VAL HB 3.100 . 3.100 2.566 2.429 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 73 VAL H 1 73 VAL QG 3.390 . 3.390 2.079 1.790 2.279 0.010 6 0 "[ . 1 . 2 . 3]" 1
356 1 73 VAL H 1 74 LEU H 4.840 . 4.840 4.473 4.422 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 73 VAL HA 1 73 VAL HB 2.970 . 2.970 2.777 2.401 3.029 0.059 24 0 "[ . 1 . 2 . 3]" 1
358 1 73 VAL HA 1 73 VAL QG 3.210 . 3.210 2.157 2.025 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 73 VAL HA 1 74 LEU H 3.390 . 3.390 2.150 2.135 2.170 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 73 VAL HA 1 117 LEU QD 3.800 . 3.800 3.759 3.595 3.863 0.063 12 0 "[ . 1 . 2 . 3]" 1
361 1 73 VAL HA 1 122 TYR H 4.950 . 4.950 4.866 4.377 4.993 0.043 8 0 "[ . 1 . 2 . 3]" 1
362 1 73 VAL HA 1 123 VAL HA 2.700 . 2.700 2.663 2.514 2.776 0.076 19 0 "[ . 1 . 2 . 3]" 1
363 1 73 VAL HA 1 123 VAL HB 2.700 . 2.700 2.514 2.275 2.736 0.036 24 0 "[ . 1 . 2 . 3]" 1
364 1 73 VAL HA 1 123 VAL QG 3.200 . 3.200 2.629 2.275 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 73 VAL QG 1 74 LEU H 3.980 . 3.980 2.800 2.535 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 73 VAL QG 1 75 SER H 5.310 . 5.310 4.713 4.434 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 73 VAL QG 1 75 SER HA 5.500 . 5.500 4.230 4.034 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 73 VAL QG 1 121 GLY QA 5.500 . 5.500 3.543 3.062 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 73 VAL QG 1 122 TYR H 4.370 . 4.370 3.557 3.183 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 73 VAL QG 1 122 TYR HA 6.000 . 6.000 4.055 3.697 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 73 VAL QG 1 123 VAL HA 3.800 . 3.800 3.564 3.324 3.839 0.039 17 0 "[ . 1 . 2 . 3]" 1
372 1 74 LEU H 1 74 LEU QB 3.620 . 3.620 2.225 2.152 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 74 LEU H 1 74 LEU QD 4.860 . 4.860 2.589 1.911 3.454 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 74 LEU H 1 75 SER H 4.760 . 4.760 4.568 4.550 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 74 LEU H 1 122 TYR H 4.090 . 4.090 3.565 3.247 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 74 LEU HA 1 74 LEU QD 3.060 . 3.060 2.404 2.108 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 74 LEU HA 1 74 LEU HG 3.580 . 3.580 2.304 2.211 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 74 LEU HA 1 75 SER H 3.180 . 3.180 2.345 2.260 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 74 LEU QB 1 75 SER H 4.270 . 4.270 2.662 2.334 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 74 LEU QB 1 79 ILE MD 6.000 . 6.000 2.162 1.973 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 74 LEU QD 1 75 SER H 5.330 . 5.330 3.533 2.339 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 74 LEU QD 1 79 ILE MD 4.300 . 4.300 2.462 2.163 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 74 LEU QD 1 79 ILE QG 5.500 . 5.500 2.182 2.054 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 74 LEU HG 1 75 SER H 3.950 . 3.950 3.384 2.692 4.051 0.101 22 0 "[ . 1 . 2 . 3]" 1
385 1 75 SER H 1 75 SER QB 3.600 . 3.600 2.591 2.283 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 75 SER H 1 76 LYS H 4.690 . 4.690 4.523 4.488 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 75 SER H 1 77 PRO QD 5.120 . 5.120 4.780 4.452 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 75 SER H 1 78 LYS H 4.870 . 4.870 4.222 4.060 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 75 SER H 1 78 LYS QB 4.380 . 4.380 2.564 2.279 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 75 SER H 1 79 ILE MD 5.500 . 5.500 3.816 3.388 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 75 SER HA 1 77 PRO QD 3.300 . 3.300 3.389 3.255 3.456 0.156 19 0 "[ . 1 . 2 . 3]" 1
392 1 75 SER HA 1 121 GLY QA 2.700 . 2.700 2.644 2.373 2.764 0.064 20 0 "[ . 1 . 2 . 3]" 1
393 1 75 SER HA 1 122 TYR H 4.810 . 4.810 4.073 3.592 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 75 SER QB 1 76 LYS H 3.620 . 3.620 3.009 2.833 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 75 SER QB 1 77 PRO QD 3.300 . 3.300 2.310 1.990 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 76 LYS H 1 77 PRO QD 3.740 . 3.740 2.170 2.123 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 77 PRO HA 1 80 LEU QB 2.700 . 2.700 2.653 2.507 2.772 0.072 2 0 "[ . 1 . 2 . 3]" 1
398 1 77 PRO HA 1 80 LEU QD 3.200 . 3.200 3.137 2.291 3.294 0.094 10 0 "[ . 1 . 2 . 3]" 1
399 1 77 PRO HA 1 92 VAL QG 3.800 . 3.800 3.513 2.104 3.825 0.025 10 0 "[ . 1 . 2 . 3]" 1
400 1 77 PRO QB 1 78 LYS H 4.370 . 4.370 2.992 2.272 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 77 PRO QB 1 92 VAL QG 5.500 . 5.500 3.534 2.245 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 77 PRO QD 1 78 LYS H 4.130 . 4.130 2.684 2.473 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 77 PRO QD 1 92 VAL QG 5.500 . 5.500 3.700 2.857 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 77 PRO QG 1 92 VAL QG 5.500 . 5.500 4.084 3.271 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 78 LYS H 1 78 LYS QB 3.430 . 3.430 2.230 2.044 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 78 LYS H 1 79 ILE H 3.580 . 3.580 2.708 2.615 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 78 LYS HA 1 81 ASP QB 3.300 . 3.300 3.051 2.781 3.346 0.046 28 0 "[ . 1 . 2 . 3]" 1
408 1 79 ILE H 1 79 ILE HB 3.170 . 3.170 2.297 2.209 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 79 ILE H 1 79 ILE MD 4.020 . 4.020 3.407 3.059 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 79 ILE H 1 79 ILE QG 4.410 . 4.410 2.516 2.212 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 79 ILE H 1 80 LEU H 3.830 . 3.830 2.738 2.609 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 79 ILE HA 1 79 ILE MD 3.700 . 3.700 3.749 3.704 3.798 0.098 8 0 "[ . 1 . 2 . 3]" 1
413 1 79 ILE HA 1 79 ILE MG 3.680 . 3.680 2.524 2.384 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 79 ILE HA 1 82 HIS H 4.550 . 4.550 3.642 3.355 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 79 ILE HA 1 82 HIS QB 5.000 . 5.000 2.462 2.210 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 79 ILE HB 1 79 ILE MD 3.250 . 3.250 2.256 2.155 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 79 ILE HB 1 80 LEU H 3.810 . 3.810 2.728 2.594 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 79 ILE MD 1 122 TYR HA 6.000 . 6.000 5.919 5.616 6.050 0.050 29 0 "[ . 1 . 2 . 3]" 1
419 1 79 ILE MD 1 122 TYR QB 5.500 . 5.500 3.964 3.621 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 79 ILE MD 1 122 TYR QD 3.800 . 3.800 2.687 2.374 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 79 ILE MG 1 83 VAL QG 4.300 . 4.300 2.569 2.188 3.426 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 80 LEU H 1 80 LEU QB 3.270 . 3.270 2.202 2.034 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 80 LEU H 1 80 LEU QD 4.120 . 4.120 3.595 3.000 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 80 LEU H 1 81 ASP H 3.750 . 3.750 2.943 2.736 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 80 LEU H 1 82 HIS H 4.670 . 4.670 3.820 3.688 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 80 LEU H 1 95 VAL QG 4.250 . 4.250 3.222 2.736 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 80 LEU HA 1 80 LEU HG 3.960 . 3.960 2.644 2.260 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 80 LEU HA 1 83 VAL QG 6.000 . 6.000 3.976 2.749 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 80 LEU HA 1 84 TRP H 4.500 . 4.500 3.264 2.561 4.042 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 80 LEU QB 1 81 ASP H 3.400 . 3.400 2.082 1.869 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 80 LEU QB 1 82 HIS H 5.010 . 5.010 4.226 4.017 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 80 LEU QD 1 81 ASP H 4.440 . 4.440 3.357 2.439 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 80 LEU QD 1 81 ASP HA 6.000 . 6.000 3.766 2.465 4.854 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 80 LEU QD 1 84 TRP HA 5.500 . 5.500 4.256 3.892 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 80 LEU QD 1 84 TRP QB 5.500 . 5.500 2.304 2.020 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 80 LEU QD 1 87 ASP QB 6.000 . 6.000 5.927 5.124 6.062 0.062 17 0 "[ . 1 . 2 . 3]" 1
437 1 80 LEU QD 1 88 PHE QB 5.500 . 5.500 5.423 4.622 5.619 0.119 24 0 "[ . 1 . 2 . 3]" 1
438 1 80 LEU QD 1 90 GLY QA 3.800 . 3.800 2.902 2.011 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 80 LEU QD 1 91 ASP H 4.660 . 4.660 3.713 1.889 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 80 LEU QD 1 91 ASP HA 3.800 . 3.800 3.714 3.346 3.862 0.062 26 0 "[ . 1 . 2 . 3]" 1
441 1 80 LEU QD 1 92 VAL H 4.840 . 4.840 3.811 2.793 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 80 LEU QD 1 92 VAL HA 3.200 . 3.200 2.527 2.023 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 80 LEU QD 1 92 VAL HB 3.800 . 3.800 3.782 3.544 3.864 0.064 26 0 "[ . 1 . 2 . 3]" 1
444 1 80 LEU QD 1 94 VAL QG 3.700 . 3.700 3.030 1.898 3.660 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 80 LEU QD 1 95 VAL HA 5.500 . 5.500 4.410 3.966 5.481 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 80 LEU QD 1 95 VAL QG 3.700 . 3.700 2.120 1.824 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 81 ASP H 1 81 ASP QB 3.210 . 3.210 2.214 2.077 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 81 ASP H 1 82 HIS H 3.880 . 3.880 2.754 2.523 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 81 ASP H 1 95 VAL QG 5.440 . 5.440 4.966 4.581 5.444 0.004 25 0 "[ . 1 . 2 . 3]" 1
450 1 81 ASP QB 1 82 HIS H 4.050 . 4.050 2.926 2.608 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 82 HIS H 1 82 HIS QB 3.140 . 3.140 2.192 2.059 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 82 HIS H 1 83 VAL H 4.030 . 4.030 2.676 2.560 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 82 HIS H 1 83 VAL QG 4.770 . 4.770 4.239 3.456 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 82 HIS HA 1 83 VAL QG 6.000 . 6.000 4.535 4.321 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 82 HIS QB 1 83 VAL H 3.710 . 3.710 2.410 2.123 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 82 HIS HD2 1 83 VAL QG 5.500 . 5.500 3.664 2.181 5.397 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 83 VAL H 1 83 VAL HB 3.620 . 3.620 2.500 2.280 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 83 VAL H 1 83 VAL QG 3.740 . 3.740 2.341 1.698 2.669 0.102 16 0 "[ . 1 . 2 . 3]" 1
459 1 83 VAL H 1 84 TRP H 3.410 . 3.410 2.601 2.376 2.676 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 83 VAL HB 1 84 TRP H 4.060 . 4.060 2.265 2.100 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 83 VAL QG 1 84 TRP H 4.620 . 4.620 2.950 2.543 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 83 VAL QG 1 84 TRP HA 6.000 . 6.000 3.370 3.056 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 84 TRP H 1 84 TRP QB 3.650 . 3.650 2.117 2.055 2.450 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 84 TRP H 1 85 ARG H 4.250 . 4.250 2.824 2.647 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 84 TRP HA 1 84 TRP HE1 5.290 . 5.290 5.014 4.803 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 84 TRP QB 1 85 ARG H 3.880 . 3.880 3.361 3.319 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 84 TRP HH2 1 94 VAL QG 6.000 . 6.000 2.811 2.147 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 84 TRP HZ3 1 94 VAL QG 6.000 . 6.000 4.035 2.804 5.407 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 84 TRP HZ3 1 95 VAL QG 6.000 . 6.000 4.464 2.718 5.811 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 85 ARG H 1 86 TYR H 4.120 . 4.120 2.748 2.651 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 86 TYR H 1 86 TYR QB 3.820 . 3.820 2.444 2.265 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 86 TYR QB 1 87 ASP H 4.190 . 4.190 3.583 3.365 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 87 ASP H 1 87 ASP QB 3.330 . 3.330 3.013 2.779 3.416 0.086 30 0 "[ . 1 . 2 . 3]" 1
474 1 87 ASP HA 1 87 ASP QB 2.700 . 2.700 2.450 2.157 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 87 ASP HA 1 88 PHE H 3.470 . 3.470 2.316 2.148 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 87 ASP QB 1 88 PHE H 4.450 . 4.450 3.453 1.789 4.027 0.011 14 0 "[ . 1 . 2 . 3]" 1
477 1 88 PHE H 1 89 GLY H 4.700 . 4.700 4.503 4.295 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 88 PHE HA 1 89 GLY H 3.500 . 3.500 2.231 2.138 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 88 PHE QB 1 89 GLY H 4.670 . 4.670 3.166 2.257 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 90 GLY H 1 91 ASP H 3.670 . 3.670 3.635 2.854 4.137 0.467 24 0 "[ . 1 . 2 . 3]" 1
481 1 90 GLY QA 1 91 ASP H 3.120 . 3.120 2.242 2.143 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 91 ASP H 1 92 VAL H 4.410 . 4.410 4.379 3.670 4.588 0.178 5 0 "[ . 1 . 2 . 3]" 1
483 1 91 ASP HA 1 92 VAL H 3.090 . 3.090 2.466 2.149 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 91 ASP QB 1 92 VAL H 3.890 . 3.890 2.658 1.884 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 91 ASP QB 1 93 ASN H 5.100 . 5.100 2.486 1.974 3.444 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 91 ASP QB 1 94 VAL HB 6.000 . 6.000 3.696 2.156 5.129 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 91 ASP QB 1 94 VAL QG 5.500 . 5.500 3.026 1.985 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 92 VAL H 1 92 VAL HB 3.680 . 3.680 3.020 2.255 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 92 VAL H 1 92 VAL QG 3.130 . 3.130 1.995 1.802 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 92 VAL H 1 93 ASN H 4.150 . 4.150 2.483 2.306 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 92 VAL HA 1 92 VAL QG 3.310 . 3.310 2.251 2.034 2.422 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 92 VAL HA 1 94 VAL QG 6.000 . 6.000 4.236 3.043 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 92 VAL HB 1 93 ASN H 4.810 . 4.810 4.222 3.557 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 92 VAL QG 1 93 ASN H 3.960 . 3.960 2.656 2.349 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 92 VAL QG 1 93 ASN QB 5.500 . 5.500 3.785 3.395 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 93 ASN H 1 93 ASN QB 3.120 . 3.120 2.396 2.196 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 93 ASN H 1 94 VAL H 3.620 . 3.620 2.285 2.101 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 93 ASN H 1 94 VAL HB 4.940 . 4.940 4.419 4.094 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 93 ASN H 1 94 VAL QG 5.230 . 5.230 3.742 3.125 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 93 ASN HA 1 93 ASN QB 2.750 . 2.750 2.386 2.158 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 93 ASN HA 1 94 VAL H 3.640 . 3.640 3.455 3.382 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 93 ASN HA 1 95 VAL H 4.410 . 4.410 4.136 3.860 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 93 ASN HA 1 96 GLU H 4.380 . 4.380 3.436 3.241 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 93 ASN HA 1 96 GLU QB 5.000 . 5.000 3.039 2.657 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 93 ASN HA 1 96 GLU QG 6.000 . 6.000 4.421 2.837 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 93 ASN QB 1 94 VAL H 3.710 . 3.710 2.950 2.083 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 93 ASN QB 1 94 VAL HA 5.000 . 5.000 3.947 3.677 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 93 ASN QB 1 96 GLU H 5.110 . 5.110 4.869 4.584 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 93 ASN QB 1 96 GLU QB 5.000 . 5.000 4.062 3.807 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 93 ASN QB 1 97 SER H 4.580 . 4.580 4.609 4.499 4.673 0.093 28 0 "[ . 1 . 2 . 3]" 1
511 1 94 VAL H 1 94 VAL HB 3.290 . 3.290 2.408 2.232 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 94 VAL H 1 94 VAL QG 3.660 . 3.660 2.318 1.804 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 94 VAL H 1 95 VAL H 4.190 . 4.190 2.626 2.519 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 94 VAL H 1 95 VAL QG 4.700 . 4.700 3.908 3.310 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 94 VAL H 1 96 GLU H 5.060 . 5.060 4.351 4.122 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 94 VAL HA 1 94 VAL QG 3.290 . 3.290 2.133 2.022 2.243 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 94 VAL HB 1 95 VAL H 4.550 . 4.550 3.236 2.523 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 94 VAL QG 1 95 VAL H 4.210 . 4.210 2.511 1.762 3.358 0.038 20 0 "[ . 1 . 2 . 3]" 1
519 1 94 VAL QG 1 95 VAL HA 5.500 . 5.500 3.195 2.838 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 94 VAL QG 1 95 VAL QG 3.700 . 3.700 2.783 2.065 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 94 VAL QG 1 96 GLU H 5.110 . 5.110 4.394 3.953 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 94 VAL QG 1 97 SER H 5.090 . 5.090 4.267 4.196 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 94 VAL QG 1 97 SER QB 6.000 . 6.000 3.470 3.083 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 95 VAL H 1 95 VAL HB 3.530 . 3.530 2.614 2.238 3.540 0.010 19 0 "[ . 1 . 2 . 3]" 1
525 1 95 VAL H 1 95 VAL QG 3.520 . 3.520 2.114 1.757 2.602 0.043 9 0 "[ . 1 . 2 . 3]" 1
526 1 95 VAL H 1 96 GLU H 3.800 . 3.800 2.773 2.653 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 95 VAL H 1 97 SER H 4.240 . 4.240 4.217 4.100 4.298 0.058 9 0 "[ . 1 . 2 . 3]" 1
528 1 95 VAL HA 1 95 VAL QG 3.160 . 3.160 2.067 2.009 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 95 VAL HA 1 98 TYR H 4.660 . 4.660 3.522 3.390 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 95 VAL HB 1 96 GLU H 3.370 . 3.370 2.494 2.230 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 95 VAL QG 1 96 GLU H 4.050 . 4.050 2.938 1.757 3.223 0.043 2 0 "[ . 1 . 2 . 3]" 1
532 1 95 VAL QG 1 96 GLU HA 3.800 . 3.800 3.447 2.922 3.861 0.061 2 0 "[ . 1 . 2 . 3]" 1
533 1 95 VAL QG 1 97 SER H 4.900 . 4.900 4.564 3.970 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 95 VAL QG 1 98 TYR H 4.830 . 4.830 4.368 4.256 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 96 GLU H 1 96 GLU QG 4.610 . 4.610 3.325 1.963 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 96 GLU H 1 97 SER H 4.370 . 4.370 2.785 2.721 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 96 GLU HA 1 96 GLU QG 3.330 . 3.330 2.338 2.137 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 96 GLU HA 1 99 VAL QG 3.200 . 3.200 2.915 2.496 3.210 0.010 20 0 "[ . 1 . 2 . 3]" 1
539 1 96 GLU QB 1 97 SER H 3.790 . 3.790 2.450 2.339 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 96 GLU QG 1 97 SER H 5.130 . 5.130 3.879 3.083 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 97 SER H 1 97 SER QB 3.670 . 3.670 2.358 2.031 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 97 SER H 1 98 TYR H 3.930 . 3.930 2.735 2.660 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 97 SER H 1 99 VAL H 4.580 . 4.580 4.129 4.036 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 97 SER QB 1 98 TYR H 3.650 . 3.650 2.694 2.355 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 98 TYR H 1 98 TYR QB 3.750 . 3.750 2.101 2.041 2.173 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 98 TYR H 1 99 VAL H 3.720 . 3.720 2.667 2.582 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 98 TYR HA 1 101 TYR QB 3.300 . 3.300 2.726 2.457 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 98 TYR HA 1 101 TYR QD 5.000 . 5.000 4.422 3.257 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 98 TYR QB 1 99 VAL H 4.650 . 4.650 2.698 2.626 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 99 VAL H 1 99 VAL HB 3.310 . 3.310 2.392 2.251 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 99 VAL H 1 99 VAL QG 3.360 . 3.360 2.329 2.030 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 99 VAL H 1 100 SER H 3.600 . 3.600 2.686 2.652 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 99 VAL H 1 100 SER QB 4.380 . 4.380 4.364 4.324 4.428 0.048 28 0 "[ . 1 . 2 . 3]" 1
554 1 99 VAL HA 1 99 VAL QG 3.220 . 3.220 2.071 2.029 2.104 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 99 VAL HA 1 102 LEU QB 3.300 . 3.300 2.355 2.255 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 99 VAL HA 1 102 LEU QD 3.800 . 3.800 3.077 2.138 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 99 VAL HA 1 114 LEU QD 6.000 . 6.000 4.806 4.027 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 99 VAL HB 1 100 SER H 3.520 . 3.520 2.621 2.507 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 99 VAL QG 1 100 SER H 3.760 . 3.760 3.096 2.864 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 99 VAL QG 1 102 LEU QB 5.500 . 5.500 3.311 3.192 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 99 VAL QG 1 103 ARG H 5.280 . 5.280 3.784 3.673 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 99 VAL QG 1 122 TYR QD 3.800 . 3.800 3.043 2.515 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 99 VAL QG 1 122 TYR QE 3.800 . 3.800 2.785 2.096 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 100 SER H 1 100 SER QB 2.980 . 2.980 2.078 2.035 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 100 SER H 1 101 TYR H 4.130 . 4.130 2.677 2.595 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 100 SER H 1 102 LEU QD 5.350 . 5.350 5.013 4.600 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 100 SER QB 1 101 TYR H 3.530 . 3.530 2.710 2.529 3.072 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 101 TYR H 1 101 TYR QB 3.460 . 3.460 2.113 2.043 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 101 TYR H 1 102 LEU H 3.620 . 3.620 2.550 2.467 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 101 TYR H 1 102 LEU QD 4.200 . 4.200 4.153 3.956 4.331 0.131 3 0 "[ . 1 . 2 . 3]" 1
571 1 101 TYR HA 1 104 ARG H 3.980 . 3.980 3.622 3.471 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 101 TYR QB 1 102 LEU H 3.830 . 3.830 2.944 2.585 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 102 LEU H 1 102 LEU QB 3.580 . 3.580 2.093 2.047 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 102 LEU H 1 102 LEU QD 4.050 . 4.050 2.592 2.222 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 102 LEU H 1 103 ARG H 3.960 . 3.960 2.552 2.367 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 102 LEU H 1 104 ARG H 4.080 . 4.080 4.027 3.725 4.164 0.084 1 0 "[ . 1 . 2 . 3]" 1
577 1 102 LEU HA 1 102 LEU QD 3.240 . 3.240 2.162 1.894 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 102 LEU HA 1 102 LEU HG 3.520 . 3.520 2.574 2.258 3.521 0.001 28 0 "[ . 1 . 2 . 3]" 1
579 1 102 LEU HA 1 106 ILE H 5.000 . 5.000 4.259 3.991 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 102 LEU QB 1 103 ARG H 3.990 . 3.990 2.580 2.375 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 102 LEU QB 1 114 LEU QD 6.000 . 6.000 3.950 3.572 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 102 LEU QD 1 103 ARG H 4.880 . 4.880 3.916 3.746 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 102 LEU QD 1 114 LEU QD 4.300 . 4.300 4.184 3.872 4.374 0.074 25 0 "[ . 1 . 2 . 3]" 1
584 1 103 ARG H 1 104 ARG H 3.620 . 3.620 2.770 2.725 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 103 ARG HA 1 106 ILE H 4.920 . 4.920 3.417 3.267 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 103 ARG HA 1 106 ILE MG 5.500 . 5.500 3.374 2.210 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 103 ARG HA 1 107 ASP HA 5.000 . 5.000 4.888 4.324 5.093 0.093 12 0 "[ . 1 . 2 . 3]" 1
588 1 103 ARG HA 1 107 ASP QB 3.300 . 3.300 2.405 2.060 2.795 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 103 ARG HA 1 114 LEU QD 5.500 . 5.500 3.457 2.848 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 105 LYS H 1 105 LYS QB 3.230 . 3.230 2.255 2.147 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 105 LYS H 1 106 ILE H 3.350 . 3.350 2.276 2.222 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 105 LYS H 1 106 ILE HA 5.170 . 5.170 4.982 4.947 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 106 ILE H 1 106 ILE QG 4.540 . 4.540 3.183 1.828 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 106 ILE HA 1 106 ILE MD 3.640 . 3.640 2.981 2.199 3.726 0.086 12 0 "[ . 1 . 2 . 3]" 1
595 1 106 ILE HA 1 106 ILE QG 3.610 . 3.610 2.812 2.283 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 106 ILE HA 1 106 ILE MG 3.310 . 3.310 2.799 2.223 3.195 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 106 ILE HB 1 106 ILE MD 3.430 . 3.430 2.702 2.122 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 106 ILE MD 1 106 ILE MG 3.320 . 3.320 2.338 1.696 3.239 0.104 9 0 "[ . 1 . 2 . 3]" 1
599 1 106 ILE MD 1 107 ASP H 4.640 . 4.640 3.435 2.738 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 106 ILE MD 1 107 ASP HA 3.800 . 3.800 3.238 2.851 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 106 ILE MD 1 107 ASP QB 5.500 . 5.500 3.395 2.440 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 106 ILE MD 1 114 LEU QD 4.300 . 4.300 3.719 2.628 4.327 0.027 29 0 "[ . 1 . 2 . 3]" 1
603 1 106 ILE QG 1 106 ILE MG 3.260 . 3.260 2.199 1.883 2.639 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 106 ILE QG 1 107 ASP H 4.600 . 4.600 3.344 1.780 4.695 0.095 1 0 "[ . 1 . 2 . 3]" 1
605 1 106 ILE MG 1 107 ASP HA 5.500 . 5.500 4.240 3.104 5.520 0.020 12 0 "[ . 1 . 2 . 3]" 1
606 1 106 ILE MG 1 114 LEU QD 6.000 . 6.000 3.964 2.148 5.996 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 107 ASP H 1 107 ASP QB 3.720 . 3.720 2.298 2.184 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 107 ASP H 1 108 THR H 4.610 . 4.610 4.508 4.192 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 107 ASP HA 1 108 THR H 3.340 . 3.340 2.255 2.163 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 107 ASP HA 1 108 THR HA 6.000 . 6.000 4.508 4.455 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 107 ASP HA 1 109 GLY H 4.070 . 4.070 3.717 2.859 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 107 ASP HA 1 113 LEU QD 6.000 . 6.000 4.225 3.562 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 107 ASP QB 1 108 THR H 4.100 . 4.100 3.283 2.149 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 107 ASP QB 1 114 LEU QD 6.000 . 6.000 3.429 2.589 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 108 THR H 1 108 THR MG 3.730 . 3.730 3.139 2.228 3.881 0.151 23 0 "[ . 1 . 2 . 3]" 1
616 1 108 THR H 1 109 GLY H 3.370 . 3.370 1.947 1.747 2.741 0.053 22 0 "[ . 1 . 2 . 3]" 1
617 1 108 THR HA 1 108 THR HB 2.820 . 2.820 2.637 2.284 2.959 0.139 28 0 "[ . 1 . 2 . 3]" 1
618 1 108 THR HB 1 109 GLY H 4.790 . 4.790 3.898 2.848 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 108 THR MG 1 109 GLY H 4.410 . 4.410 3.453 1.865 4.444 0.034 19 0 "[ . 1 . 2 . 3]" 1
620 1 109 GLY QA 1 110 GLU H 3.420 . 3.420 2.262 2.130 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 109 GLY QA 1 111 LYS H 4.040 . 4.040 2.933 2.725 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 110 GLU H 1 110 GLU QB 3.090 . 3.090 2.315 2.122 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 110 GLU H 1 111 LYS H 3.470 . 3.470 2.531 2.197 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 110 GLU HA 1 110 GLU QB 2.540 . 2.540 2.422 2.287 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 110 GLU HA 1 110 GLU QG 3.590 . 3.590 2.360 2.166 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 110 GLU QB 1 111 LYS H 3.230 . 3.230 3.177 2.456 3.318 0.088 7 0 "[ . 1 . 2 . 3]" 1
627 1 110 GLU QG 1 111 LYS H 4.550 . 4.550 4.329 3.645 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 111 LYS H 1 111 LYS QB 3.180 . 3.180 2.549 2.184 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 111 LYS H 1 112 ARG H 4.480 . 4.480 4.363 4.243 4.566 0.086 16 0 "[ . 1 . 2 . 3]" 1
630 1 111 LYS HA 1 111 LYS QG 3.480 . 3.480 2.572 2.139 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 111 LYS HA 1 112 ARG H 2.900 . 2.900 2.168 2.132 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 111 LYS HA 1 127 PRO QG 5.000 . 5.000 3.672 2.154 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 111 LYS QB 1 113 LEU QD 6.000 . 6.000 2.746 2.013 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 111 LYS QB 1 127 PRO QD 6.000 . 6.000 3.657 2.716 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 112 ARG H 1 113 LEU H 4.490 . 4.490 4.423 4.108 4.592 0.102 14 0 "[ . 1 . 2 . 3]" 1
636 1 112 ARG H 1 113 LEU QD 4.420 . 4.420 4.068 3.314 4.516 0.096 24 0 "[ . 1 . 2 . 3]" 1
637 1 112 ARG HA 1 112 ARG QB 2.760 . 2.760 2.369 2.177 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 112 ARG HA 1 113 LEU H 3.530 . 3.530 2.227 2.142 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 112 ARG HA 1 115 HIS HE1 6.000 . 6.000 5.790 5.023 6.027 0.027 26 0 "[ . 1 . 2 . 3]" 1
640 1 112 ARG QB 1 113 LEU H 4.220 . 4.220 3.214 2.487 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 112 ARG QB 1 115 HIS HE1 3.300 . 3.300 2.999 2.296 3.316 0.016 13 0 "[ . 1 . 2 . 3]" 1
642 1 112 ARG QG 1 115 HIS HE1 5.000 . 5.000 4.228 2.888 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 113 LEU H 1 113 LEU QD 4.880 . 4.880 2.635 1.795 3.727 0.005 20 0 "[ . 1 . 2 . 3]" 1
644 1 113 LEU H 1 113 LEU HG 4.240 . 4.240 2.915 1.767 4.382 0.142 5 0 "[ . 1 . 2 . 3]" 1
645 1 113 LEU H 1 114 LEU H 4.170 . 4.170 2.275 1.774 2.841 0.026 14 0 "[ . 1 . 2 . 3]" 1
646 1 113 LEU H 1 114 LEU HA 5.500 . 5.500 4.839 4.444 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 113 LEU HA 1 113 LEU QD 4.020 . 4.020 2.444 1.924 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 113 LEU HA 1 113 LEU HG 3.940 . 3.940 2.900 2.232 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 113 LEU HA 1 124 LEU QD 5.500 . 5.500 4.086 3.058 5.311 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 113 LEU HA 1 126 GLU HA 5.000 . 5.000 3.164 2.416 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 113 LEU QB 1 124 LEU QD 3.800 . 3.800 2.705 2.098 3.843 0.043 19 0 "[ . 1 . 2 . 3]" 1
652 1 113 LEU QD 1 124 LEU QD 4.300 . 4.300 3.389 2.600 4.312 0.012 19 0 "[ . 1 . 2 . 3]" 1
653 1 113 LEU QD 1 126 GLU HA 3.200 . 3.200 2.714 2.063 3.236 0.036 18 0 "[ . 1 . 2 . 3]" 1
654 1 113 LEU QD 1 126 GLU QG 3.200 . 3.200 2.544 2.034 3.344 0.144 16 0 "[ . 1 . 2 . 3]" 1
655 1 113 LEU QD 1 127 PRO QB 6.000 . 6.000 4.719 3.904 5.339 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 113 LEU QD 1 127 PRO QD 3.200 . 3.200 2.527 2.103 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 113 LEU HG 1 114 LEU H 4.750 . 4.750 4.354 3.653 4.984 0.234 5 0 "[ . 1 . 2 . 3]" 1
658 1 114 LEU H 1 114 LEU QB 3.250 . 3.250 2.501 2.168 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 114 LEU H 1 115 HIS H 5.030 . 5.030 4.265 3.862 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 114 LEU H 1 124 LEU QD 5.060 . 5.060 4.098 3.390 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 114 LEU HA 1 114 LEU QD 3.390 . 3.390 2.667 2.143 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 114 LEU HA 1 114 LEU HG 3.950 . 3.950 2.511 2.260 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 114 LEU HA 1 115 HIS H 3.310 . 3.310 2.180 2.145 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 114 LEU HA 1 124 LEU HA 2.700 . 2.700 2.612 2.346 2.800 0.100 25 0 "[ . 1 . 2 . 3]" 1
665 1 114 LEU HA 1 124 LEU QD 3.200 . 3.200 2.939 2.496 3.217 0.017 13 0 "[ . 1 . 2 . 3]" 1
666 1 114 LEU QB 1 124 LEU HA 6.000 . 6.000 4.194 2.275 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 114 LEU QB 1 124 LEU QD 3.800 . 3.800 3.467 2.170 3.839 0.039 3 0 "[ . 1 . 2 . 3]" 1
668 1 114 LEU QD 1 115 HIS H 4.920 . 4.920 3.701 2.353 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 114 LEU QD 1 122 TYR HA 6.000 . 6.000 4.904 3.580 5.979 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 114 LEU QD 1 122 TYR QB 6.000 . 6.000 3.041 1.962 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 114 LEU QD 1 123 VAL HA 5.500 . 5.500 4.862 3.414 5.598 0.098 19 0 "[ . 1 . 2 . 3]" 1
672 1 114 LEU QD 1 124 LEU HA 3.800 . 3.800 3.384 2.704 3.802 0.002 3 0 "[ . 1 . 2 . 3]" 1
673 1 114 LEU QD 1 124 LEU QD 3.700 . 3.700 2.370 1.964 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 114 LEU HG 1 124 LEU HA 6.000 . 6.000 3.758 2.893 5.104 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 115 HIS H 1 123 VAL H 4.990 . 4.990 3.068 2.850 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 115 HIS H 1 123 VAL QG 4.300 . 4.300 2.691 2.289 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 115 HIS H 1 124 LEU HA 4.240 . 4.240 3.472 3.226 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 115 HIS H 1 125 ARG H 4.680 . 4.680 3.917 3.514 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 115 HIS HA 1 115 HIS QB 2.710 . 2.710 2.517 2.443 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 115 HIS HA 1 116 THR H 3.100 . 3.100 2.158 2.134 2.230 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 115 HIS HA 1 123 VAL QG 3.800 . 3.800 3.910 3.839 3.995 0.195 29 0 "[ . 1 . 2 . 3]" 1
682 1 115 HIS QB 1 117 LEU HG 5.000 . 5.000 3.379 3.032 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 115 HIS QB 1 123 VAL QG 3.200 . 3.200 1.905 1.844 1.994 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 115 HIS QB 1 125 ARG QG 5.000 . 5.000 3.051 2.306 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 115 HIS HD2 1 125 ARG QG 5.000 . 5.000 4.584 2.936 5.055 0.055 9 0 "[ . 1 . 2 . 3]" 1
686 1 116 THR H 1 116 THR HB 3.400 . 3.400 2.736 2.415 3.431 0.031 23 0 "[ . 1 . 2 . 3]" 1
687 1 116 THR H 1 116 THR MG 4.510 . 4.510 3.675 3.149 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 116 THR HA 1 116 THR MG 3.070 . 3.070 2.235 2.114 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 116 THR HA 1 117 LEU H 3.110 . 3.110 2.158 2.128 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 116 THR HA 1 117 LEU QD 5.500 . 5.500 4.153 2.626 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 116 THR HA 1 122 TYR HA 2.700 . 2.700 2.435 2.286 2.733 0.033 11 0 "[ . 1 . 2 . 3]" 1
692 1 116 THR HA 1 122 TYR QB 6.000 . 6.000 3.076 2.623 3.733 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 116 THR HA 1 123 VAL H 4.510 . 4.510 3.732 3.559 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 116 THR HB 1 117 LEU H 4.530 . 4.530 4.212 3.763 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 116 THR HB 1 122 TYR HA 6.000 . 6.000 5.368 4.970 5.628 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 116 THR MG 1 117 LEU H 3.820 . 3.820 3.063 2.659 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 116 THR MG 1 122 TYR HA 3.800 . 3.800 3.738 3.502 3.882 0.082 8 0 "[ . 1 . 2 . 3]" 1
698 1 117 LEU H 1 117 LEU QB 3.670 . 3.670 2.433 2.276 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 117 LEU H 1 117 LEU QD 4.070 . 4.070 3.021 1.748 3.293 0.052 18 0 "[ . 1 . 2 . 3]" 1
700 1 117 LEU H 1 120 VAL HB 4.820 . 4.820 4.674 4.334 4.888 0.068 26 0 "[ . 1 . 2 . 3]" 1
701 1 117 LEU H 1 121 GLY H 4.170 . 4.170 3.541 3.284 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 117 LEU H 1 122 TYR HA 3.810 . 3.810 2.439 2.188 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 117 LEU HA 1 117 LEU QD 3.050 . 3.050 2.287 2.007 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 117 LEU HA 1 117 LEU HG 3.520 . 3.520 2.739 2.347 3.677 0.157 18 0 "[ . 1 . 2 . 3]" 1
705 1 117 LEU HA 1 120 VAL HB 6.000 . 6.000 4.774 4.385 5.135 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 117 LEU QB 1 120 VAL H 4.340 . 4.340 3.433 3.049 3.696 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 117 LEU QB 1 120 VAL HB 3.300 . 3.300 2.244 2.073 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 117 LEU QB 1 121 GLY H 3.600 . 3.600 2.489 2.114 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 117 LEU QD 1 120 VAL HB 3.800 . 3.800 3.163 2.616 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 117 LEU QD 1 122 TYR HA 3.800 . 3.800 3.451 2.169 3.855 0.055 3 0 "[ . 1 . 2 . 3]" 1
711 1 117 LEU HG 1 122 TYR HA 5.000 . 5.000 3.933 2.963 4.981 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 119 GLY QA 1 120 VAL QG 5.500 . 5.500 3.151 2.995 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 120 VAL H 1 120 VAL HB 3.310 . 3.310 2.754 2.581 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 120 VAL H 1 120 VAL QG 3.440 . 3.440 2.640 2.340 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 120 VAL H 1 121 GLY QA 4.870 . 4.870 3.918 3.804 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 120 VAL HA 1 120 VAL QG 2.810 . 2.810 2.079 2.022 2.105 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 120 VAL HB 1 121 GLY H 3.350 . 3.350 2.316 2.083 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 120 VAL QG 1 121 GLY H 3.710 . 3.710 3.052 2.776 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 121 GLY H 1 122 TYR H 4.470 . 4.470 4.246 4.185 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 121 GLY QA 1 122 TYR H 3.460 . 3.460 2.154 2.135 2.175 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 122 TYR HA 1 123 VAL H 3.200 . 3.200 2.323 2.279 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 122 TYR HA 1 123 VAL QG 6.000 . 6.000 3.547 3.321 3.676 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 122 TYR QB 1 123 VAL H 4.270 . 4.270 2.724 2.527 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 123 VAL H 1 123 VAL QG 3.580 . 3.580 2.060 1.911 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 123 VAL H 1 125 ARG QD 4.820 . 4.820 4.842 4.568 4.953 0.133 1 0 "[ . 1 . 2 . 3]" 1
726 1 123 VAL HA 1 123 VAL QG 3.240 . 3.240 2.265 2.179 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 123 VAL HA 1 124 LEU H 3.540 . 3.540 2.183 2.154 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 123 VAL HB 1 124 LEU H 4.610 . 4.610 4.185 4.026 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 123 VAL HB 1 125 ARG QD 6.000 . 6.000 4.340 3.962 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 123 VAL QG 1 124 LEU H 4.140 . 4.140 2.433 2.141 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 123 VAL QG 1 124 LEU HA 6.000 . 6.000 3.584 3.517 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 123 VAL QG 1 125 ARG QD 3.200 . 3.200 1.923 1.773 2.382 0.027 18 0 "[ . 1 . 2 . 3]" 1
733 1 124 LEU H 1 124 LEU QB 3.740 . 3.740 2.275 2.174 2.344 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 124 LEU H 1 124 LEU QD 5.170 . 5.170 3.638 2.342 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 124 LEU H 1 125 ARG QD 5.240 . 5.240 4.737 4.348 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 124 LEU HA 1 124 LEU QD 3.320 . 3.320 2.183 2.028 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 124 LEU HA 1 124 LEU HG 3.370 . 3.370 2.619 2.267 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 124 LEU HA 1 125 ARG H 3.140 . 3.140 2.169 2.144 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 124 LEU QD 1 125 ARG H 4.250 . 4.250 2.768 1.891 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 124 LEU HG 1 125 ARG H 3.970 . 3.970 3.279 2.391 4.050 0.080 29 0 "[ . 1 . 2 . 3]" 1
741 1 125 ARG H 1 125 ARG QD 4.630 . 4.630 3.786 1.886 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 125 ARG H 1 125 ARG QG 3.960 . 3.960 2.329 2.259 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 125 ARG H 1 126 GLU H 4.330 . 4.330 4.146 3.909 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 125 ARG HA 1 125 ARG QD 4.180 . 4.180 4.239 3.553 4.344 0.164 21 0 "[ . 1 . 2 . 3]" 1
745 1 125 ARG HA 1 125 ARG QG 3.720 . 3.720 3.299 3.284 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 125 ARG HA 1 126 GLU H 3.200 . 3.200 2.179 2.148 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 125 ARG QB 1 125 ARG QD 3.050 . 3.050 2.230 2.079 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 126 GLU H 1 126 GLU QG 3.770 . 3.770 3.057 2.622 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 126 GLU HA 1 126 GLU QG 3.490 . 3.490 2.245 2.155 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 126 GLU HA 1 127 PRO QD 2.700 . 2.700 2.111 2.090 2.136 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 126 GLU QB 1 127 PRO QD 3.300 . 3.300 2.274 2.216 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 126 GLU QG 1 127 PRO QD 3.300 . 3.300 2.401 2.202 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
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