NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428422 |
2i83   |
5903 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2i83
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 721
_Distance_constraint_stats_list.Viol_count 559
_Distance_constraint_stats_list.Viol_total 274.940
_Distance_constraint_stats_list.Viol_max 0.304
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0246
_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 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ILE 0.268 0.071 4 0 "[ . 1 . 2]"
1 5 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.006 0.003 5 0 "[ . 1 . 2]"
1 7 ASN 0.000 0.000 5 0 "[ . 1 . 2]"
1 8 ILE 0.488 0.090 20 0 "[ . 1 . 2]"
1 9 THR 0.128 0.037 8 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.068 0.027 11 0 "[ . 1 . 2]"
1 12 PHE 0.060 0.021 6 0 "[ . 1 . 2]"
1 13 ALA 0.377 0.043 11 0 "[ . 1 . 2]"
1 14 GLY 0.074 0.017 6 0 "[ . 1 . 2]"
1 15 VAL 0.354 0.107 11 0 "[ . 1 . 2]"
1 16 PHE 0.134 0.031 8 0 "[ . 1 . 2]"
1 17 HIS 0.307 0.046 13 0 "[ . 1 . 2]"
1 18 VAL 0.083 0.032 20 0 "[ . 1 . 2]"
1 19 GLU 0.351 0.090 20 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 3 0 "[ . 1 . 2]"
1 21 ASN 0.115 0.064 5 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 TYR 0.386 0.072 9 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.177 0.058 9 0 "[ . 1 . 2]"
1 27 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.003 0.003 12 0 "[ . 1 . 2]"
1 31 ALA 0.047 0.012 14 0 "[ . 1 . 2]"
1 32 ALA 0.010 0.007 8 0 "[ . 1 . 2]"
1 33 ASP 0.010 0.008 15 0 "[ . 1 . 2]"
1 34 LEU 0.004 0.004 3 0 "[ . 1 . 2]"
1 35 CYS 0.084 0.022 7 0 "[ . 1 . 2]"
1 36 LYS 0.035 0.018 15 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.389 0.083 10 0 "[ . 1 . 2]"
1 39 ASN 0.025 0.018 15 0 "[ . 1 . 2]"
1 40 SER 0.243 0.029 6 0 "[ . 1 . 2]"
1 41 THR 0.035 0.035 6 0 "[ . 1 . 2]"
1 42 LEU 0.097 0.044 11 0 "[ . 1 . 2]"
1 43 PRO 0.110 0.021 3 0 "[ . 1 . 2]"
1 44 THR 0.067 0.022 19 0 "[ . 1 . 2]"
1 45 MET 0.169 0.031 20 0 "[ . 1 . 2]"
1 46 ALA 0.038 0.025 14 0 "[ . 1 . 2]"
1 47 GLN 0.059 0.021 3 0 "[ . 1 . 2]"
1 48 MET 0.241 0.052 14 0 "[ . 1 . 2]"
1 49 GLU 0.549 0.056 3 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.338 0.064 3 0 "[ . 1 . 2]"
1 52 LEU 1.325 0.274 20 0 "[ . 1 . 2]"
1 53 SER 0.549 0.274 20 0 "[ . 1 . 2]"
1 54 ILE 0.154 0.017 10 0 "[ . 1 . 2]"
1 55 GLY 0.118 0.048 20 0 "[ . 1 . 2]"
1 56 PHE 0.119 0.064 3 0 "[ . 1 . 2]"
1 57 GLU 0.003 0.003 2 0 "[ . 1 . 2]"
1 58 THR 0.255 0.046 13 0 "[ . 1 . 2]"
1 59 CYS 0.066 0.029 16 0 "[ . 1 . 2]"
1 60 ARG 0.221 0.072 9 0 "[ . 1 . 2]"
1 61 TYR 0.159 0.077 12 0 "[ . 1 . 2]"
1 62 GLY 1.086 0.143 12 0 "[ . 1 . 2]"
1 63 PHE 0.408 0.110 12 0 "[ . 1 . 2]"
1 64 ILE 0.221 0.044 11 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 HIS 0.328 0.304 13 0 "[ . 1 . 2]"
1 68 VAL 0.648 0.304 13 0 "[ . 1 . 2]"
1 69 VAL 1.171 0.143 12 0 "[ . 1 . 2]"
1 70 ILE 0.246 0.077 12 0 "[ . 1 . 2]"
1 71 PRO 0.034 0.018 18 0 "[ . 1 . 2]"
1 72 ARG 0.135 0.076 20 0 "[ . 1 . 2]"
1 73 ILE 0.003 0.003 2 0 "[ . 1 . 2]"
1 74 HIS 0.003 0.003 2 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASN 0.132 0.074 6 0 "[ . 1 . 2]"
1 77 SER 0.018 0.018 14 0 "[ . 1 . 2]"
1 78 ILE 0.044 0.034 16 0 "[ . 1 . 2]"
1 79 CYS 0.072 0.034 16 0 "[ . 1 . 2]"
1 80 ALA 0.019 0.016 15 0 "[ . 1 . 2]"
1 81 ALA 0.006 0.006 2 0 "[ . 1 . 2]"
1 82 ASN 0.142 0.074 6 0 "[ . 1 . 2]"
1 83 ASN 0.160 0.045 19 0 "[ . 1 . 2]"
1 84 THR 0.264 0.127 12 0 "[ . 1 . 2]"
1 85 GLY 0.234 0.127 12 0 "[ . 1 . 2]"
1 86 VAL 0.020 0.014 20 0 "[ . 1 . 2]"
1 87 TYR 0.187 0.031 6 0 "[ . 1 . 2]"
1 88 ILE 0.661 0.182 1 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 10 0 "[ . 1 . 2]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLN 0.089 0.035 19 0 "[ . 1 . 2]"
1 96 TYR 0.245 0.038 7 0 "[ . 1 . 2]"
1 97 ASP 0.061 0.041 7 0 "[ . 1 . 2]"
1 98 THR 0.143 0.041 9 0 "[ . 1 . 2]"
1 99 TYR 0.035 0.019 11 0 "[ . 1 . 2]"
1 100 CYS 0.233 0.029 6 0 "[ . 1 . 2]"
1 101 PHE 0.153 0.107 11 0 "[ . 1 . 2]"
1 102 ASN 0.055 0.012 13 0 "[ . 1 . 2]"
1 103 ALA 0.037 0.020 11 0 "[ . 1 . 2]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.074 0.017 6 0 "[ . 1 . 2]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 PRO 0.103 0.025 20 0 "[ . 1 . 2]"
1 108 GLU 0.279 0.034 5 0 "[ . 1 . 2]"
1 109 GLU 0.039 0.016 20 0 "[ . 1 . 2]"
1 110 ASP 0.088 0.027 11 0 "[ . 1 . 2]"
1 112 THR 0.154 0.101 6 0 "[ . 1 . 2]"
1 113 SER 0.327 0.101 6 0 "[ . 1 . 2]"
1 114 VAL 0.008 0.008 5 0 "[ . 1 . 2]"
1 115 THR 0.080 0.031 6 0 "[ . 1 . 2]"
1 116 ASP 0.027 0.012 14 0 "[ . 1 . 2]"
1 117 LEU 0.206 0.087 6 0 "[ . 1 . 2]"
1 119 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ALA 0.478 0.289 14 0 "[ . 1 . 2]"
1 121 PHE 0.779 0.289 14 0 "[ . 1 . 2]"
1 122 ASP 0.020 0.011 7 0 "[ . 1 . 2]"
1 123 GLY 0.009 0.009 12 0 "[ . 1 . 2]"
1 124 PRO 0.660 0.064 11 0 "[ . 1 . 2]"
1 125 ILE 0.812 0.071 4 0 "[ . 1 . 2]"
1 126 THR 0.062 0.020 4 0 "[ . 1 . 2]"
1 127 ILE 0.427 0.236 18 0 "[ . 1 . 2]"
1 128 THR 0.024 0.024 1 0 "[ . 1 . 2]"
1 129 ILE 0.459 0.097 6 0 "[ . 1 . 2]"
1 130 VAL 0.646 0.157 16 0 "[ . 1 . 2]"
1 131 ASN 0.402 0.157 16 0 "[ . 1 . 2]"
1 133 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 GLY 0.188 0.051 6 0 "[ . 1 . 2]"
1 135 THR 0.036 0.036 16 0 "[ . 1 . 2]"
1 136 ARG 0.036 0.036 16 0 "[ . 1 . 2]"
1 137 TYR 0.271 0.056 6 0 "[ . 1 . 2]"
1 138 VAL 0.202 0.056 2 0 "[ . 1 . 2]"
1 139 GLN 0.018 0.013 11 0 "[ . 1 . 2]"
1 140 LYS 0.020 0.010 15 0 "[ . 1 . 2]"
1 141 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 PRO 0.163 0.092 18 0 "[ . 1 . 2]"
1 148 GLU 0.163 0.092 18 0 "[ . 1 . 2]"
1 149 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 ILE 0.988 0.220 20 0 "[ . 1 . 2]"
1 151 TYR 0.004 0.004 20 0 "[ . 1 . 2]"
1 156 THR 0.000 0.000 . 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 15 VAL MG2 1 101 PHE QD . . 3.980 2.014 1.889 2.541 . 0 0 "[ . 1 . 2]" 1
2 1 31 ALA MB 1 63 PHE QD . . 3.770 2.809 1.954 3.551 . 0 0 "[ . 1 . 2]" 1
3 1 61 TYR QD 1 70 ILE MG . . 3.820 2.609 1.886 3.897 0.077 12 0 "[ . 1 . 2]" 1
4 1 26 ILE MG 1 63 PHE QD . . 4.230 3.648 3.215 4.228 . 0 0 "[ . 1 . 2]" 1
5 1 63 PHE QD 1 98 THR HA . . 4.150 3.385 2.450 4.158 0.008 8 0 "[ . 1 . 2]" 1
6 1 63 PHE HA 1 68 VAL HA . . 3.690 3.174 2.204 3.704 0.014 16 0 "[ . 1 . 2]" 1
7 1 71 PRO HA 1 86 VAL HA . . 3.480 2.171 1.978 2.698 . 0 0 "[ . 1 . 2]" 1
8 1 63 PHE HA 1 63 PHE QD . . 3.680 2.320 2.043 3.073 . 0 0 "[ . 1 . 2]" 1
9 1 15 VAL HA 1 101 PHE QD . . 4.080 2.847 2.232 3.533 . 0 0 "[ . 1 . 2]" 1
10 1 61 TYR HA 1 61 TYR QD . . 3.920 2.663 2.156 3.730 . 0 0 "[ . 1 . 2]" 1
11 1 87 TYR HA 1 87 TYR QD . . 3.940 2.686 2.132 3.135 . 0 0 "[ . 1 . 2]" 1
12 1 24 TYR QD 1 96 TYR HA . . 4.460 3.912 1.998 4.498 0.038 7 0 "[ . 1 . 2]" 1
13 1 38 PHE HA 1 38 PHE QD . . 3.750 2.265 1.985 3.072 . 0 0 "[ . 1 . 2]" 1
14 1 99 TYR HA 1 99 TYR QD . . 3.740 2.145 2.037 2.254 . 0 0 "[ . 1 . 2]" 1
15 1 101 PHE HA 1 101 PHE QD . . 4.050 2.604 2.268 3.005 . 0 0 "[ . 1 . 2]" 1
16 1 24 TYR HA 1 24 TYR QD . . 3.800 2.589 2.074 3.674 . 0 0 "[ . 1 . 2]" 1
17 1 101 PHE QE 1 103 ALA HA . . 3.820 3.620 2.971 3.840 0.020 11 0 "[ . 1 . 2]" 1
18 1 101 PHE HZ 1 103 ALA HA . . 3.870 3.467 2.886 3.878 0.008 6 0 "[ . 1 . 2]" 1
19 1 56 PHE HA 1 56 PHE QD . . 3.610 2.525 2.004 3.041 . 0 0 "[ . 1 . 2]" 1
20 1 17 HIS HA 1 17 HIS HD2 . . 4.680 4.060 2.787 4.713 0.033 11 0 "[ . 1 . 2]" 1
21 1 17 HIS HD2 1 99 TYR QD . . 5.500 4.503 2.001 5.489 . 0 0 "[ . 1 . 2]" 1
22 1 17 HIS HD2 1 99 TYR QE . . 5.500 4.278 2.509 5.484 . 0 0 "[ . 1 . 2]" 1
23 1 17 HIS HB3 1 99 TYR QD . . 4.330 2.842 2.095 4.047 . 0 0 "[ . 1 . 2]" 1
24 1 9 THR MG 1 17 HIS HB3 . . 4.410 3.994 1.975 4.447 0.037 8 0 "[ . 1 . 2]" 1
25 1 17 HIS HB3 1 58 THR MG . . 5.120 4.716 3.712 5.166 0.046 13 0 "[ . 1 . 2]" 1
26 1 17 HIS HB3 1 56 PHE HZ . . 4.460 3.249 2.020 4.471 0.011 10 0 "[ . 1 . 2]" 1
27 1 61 TYR QD 1 70 ILE HB . . 4.270 2.968 1.984 3.865 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE HB 1 125 ILE MG . . 4.070 2.935 1.874 4.067 . 0 0 "[ . 1 . 2]" 1
29 1 24 TYR QE 1 60 ARG HB3 . . 4.880 3.957 3.206 4.771 . 0 0 "[ . 1 . 2]" 1
30 1 63 PHE QD 1 68 VAL MG2 . . 4.510 2.480 1.935 4.075 . 0 0 "[ . 1 . 2]" 1
31 1 8 ILE MG 1 18 VAL HA . . 4.410 3.191 1.880 3.913 . 0 0 "[ . 1 . 2]" 1
32 1 13 ALA MB 1 51 ALA HA . . 4.100 3.578 3.050 4.104 0.004 5 0 "[ . 1 . 2]" 1
33 1 13 ALA MB 1 54 ILE MD . . 3.760 1.851 1.722 2.615 . 0 0 "[ . 1 . 2]" 1
34 1 45 MET HA 1 45 MET ME . . 4.500 4.146 3.570 4.474 . 0 0 "[ . 1 . 2]" 1
35 1 8 ILE MD 1 8 ILE MG . . 3.200 2.274 1.844 3.137 . 0 0 "[ . 1 . 2]" 1
36 1 8 ILE MD 1 38 PHE QE . . 4.440 2.969 2.133 3.878 . 0 0 "[ . 1 . 2]" 1
37 1 73 ILE HA 1 73 ILE MD . . 4.190 3.855 3.721 3.888 . 0 0 "[ . 1 . 2]" 1
38 1 73 ILE MD 1 73 ILE MG . . 3.510 2.403 1.939 2.974 . 0 0 "[ . 1 . 2]" 1
39 1 55 GLY HA3 1 73 ILE MD . . 4.340 3.792 3.375 4.299 . 0 0 "[ . 1 . 2]" 1
40 1 48 MET HB3 1 48 MET ME . . 4.020 2.129 1.942 3.730 . 0 0 "[ . 1 . 2]" 1
41 1 48 MET ME 1 99 TYR QD . . 4.260 2.337 1.977 2.998 . 0 0 "[ . 1 . 2]" 1
42 1 38 PHE QE 1 127 ILE MD . . 4.480 2.319 1.900 2.938 . 0 0 "[ . 1 . 2]" 1
43 1 69 VAL MG2 1 99 TYR QD . . 4.360 3.895 3.307 4.369 0.009 10 0 "[ . 1 . 2]" 1
44 1 48 MET ME 1 69 VAL MG2 . . 3.420 2.114 1.723 3.420 . 18 0 "[ . 1 . 2]" 1
45 1 16 PHE QE 1 18 VAL MG2 . . 4.440 2.504 2.099 2.799 . 0 0 "[ . 1 . 2]" 1
46 1 63 PHE QD 1 98 THR HB . . 3.780 2.944 2.016 3.714 . 0 0 "[ . 1 . 2]" 1
47 1 62 GLY HA3 1 99 TYR QE . . 4.180 2.574 2.293 2.856 . 0 0 "[ . 1 . 2]" 1
48 1 62 GLY HA2 1 98 THR HA . . 4.660 3.531 2.923 4.544 . 0 0 "[ . 1 . 2]" 1
49 1 14 GLY HA3 1 101 PHE QE . . 4.580 2.416 2.001 3.273 . 0 0 "[ . 1 . 2]" 1
50 1 14 GLY HA3 1 105 ALA MB . . 4.580 4.143 3.425 4.597 0.017 6 0 "[ . 1 . 2]" 1
51 1 14 GLY HA2 1 105 ALA MB . . 3.610 3.019 2.266 3.577 . 0 0 "[ . 1 . 2]" 1
52 1 54 ILE HB 1 54 ILE MD . . 3.300 2.340 2.053 2.417 . 0 0 "[ . 1 . 2]" 1
53 1 70 ILE MG 1 87 TYR HB3 . . 4.110 1.998 1.877 2.440 . 0 0 "[ . 1 . 2]" 1
54 1 67 HIS HB3 1 69 VAL MG1 . . 4.510 3.189 2.696 4.525 0.015 8 0 "[ . 1 . 2]" 1
55 1 63 PHE HA 1 68 VAL MG1 . . 4.720 3.834 2.752 4.830 0.110 12 0 "[ . 1 . 2]" 1
56 1 31 ALA MB 1 63 PHE QE . . 4.710 4.349 3.556 4.720 0.010 6 0 "[ . 1 . 2]" 1
57 1 95 GLN HA 1 95 GLN HG3 . . 4.180 2.752 2.223 4.215 0.035 19 0 "[ . 1 . 2]" 1
58 1 26 ILE MG 1 31 ALA MB . . 3.650 2.876 2.263 3.218 . 0 0 "[ . 1 . 2]" 1
59 1 32 ALA MB 1 42 LEU MD2 . . 3.560 3.360 2.831 3.567 0.007 8 0 "[ . 1 . 2]" 1
60 1 51 ALA MB 1 54 ILE MD . . 3.690 2.926 2.650 3.314 . 0 0 "[ . 1 . 2]" 1
61 1 52 LEU MD1 1 85 GLY HA2 . . 4.300 3.289 2.420 4.010 . 0 0 "[ . 1 . 2]" 1
62 1 61 TYR HB3 1 68 VAL MG1 . . 4.490 2.490 1.907 4.565 0.075 12 0 "[ . 1 . 2]" 1
63 1 15 VAL MG2 1 101 PHE HB3 . . 4.790 4.014 3.697 4.410 . 0 0 "[ . 1 . 2]" 1
64 1 127 ILE HG13 1 127 ILE MG . . 3.530 2.894 2.635 3.195 . 0 0 "[ . 1 . 2]" 1
65 1 56 PHE HA 1 56 PHE QE . . 4.510 4.341 4.193 4.519 0.009 5 0 "[ . 1 . 2]" 1
66 1 19 GLU HG3 1 23 ARG HA . . 5.210 4.848 4.171 5.016 . 0 0 "[ . 1 . 2]" 1
67 1 137 TYR HA 1 137 TYR QD . . 3.850 2.963 2.046 3.738 . 0 0 "[ . 1 . 2]" 1
68 1 59 CYS HA 1 70 ILE MD . . 3.680 2.371 1.936 3.494 . 0 0 "[ . 1 . 2]" 1
69 1 17 HIS HA 1 99 TYR QD . . 3.720 2.140 1.964 2.464 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU HA 1 6 LEU HG . . 3.970 3.036 2.427 3.698 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU HA 1 20 LYS HA . . 3.910 2.411 1.973 3.105 . 0 0 "[ . 1 . 2]" 1
72 1 43 PRO HD3 1 100 CYS HA . . 3.980 2.243 1.987 3.032 . 0 0 "[ . 1 . 2]" 1
73 1 24 TYR QE 1 60 ARG HA . . 5.500 5.396 4.568 5.572 0.072 9 0 "[ . 1 . 2]" 1
74 1 76 ASN HA 1 77 SER HA . . 4.540 4.314 4.297 4.351 . 0 0 "[ . 1 . 2]" 1
75 1 26 ILE HB 1 97 ASP HA . . 4.250 3.232 2.003 3.898 . 0 0 "[ . 1 . 2]" 1
76 1 26 ILE MD 1 97 ASP HA . . 3.530 2.479 1.902 3.571 0.041 7 0 "[ . 1 . 2]" 1
77 1 17 HIS HA 1 99 TYR HA . . 3.620 2.203 2.066 2.550 . 0 0 "[ . 1 . 2]" 1
78 1 18 VAL MG2 1 99 TYR HA . . 4.490 3.696 3.111 4.363 . 0 0 "[ . 1 . 2]" 1
79 1 15 VAL MG2 1 101 PHE HA . . 4.360 3.236 2.919 3.753 . 0 0 "[ . 1 . 2]" 1
80 1 69 VAL HA 1 69 VAL MG1 . . 3.400 2.363 2.242 2.445 . 0 0 "[ . 1 . 2]" 1
81 1 69 VAL HA 1 69 VAL MG2 . . 3.510 3.191 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
82 1 8 ILE HA 1 8 ILE MG . . 3.540 2.246 2.063 2.384 . 0 0 "[ . 1 . 2]" 1
83 1 8 ILE HA 1 16 PHE QD . . 4.750 4.151 3.562 4.752 0.002 20 0 "[ . 1 . 2]" 1
84 1 61 TYR HA 1 70 ILE HB . . 4.140 2.211 1.987 2.674 . 0 0 "[ . 1 . 2]" 1
85 1 41 THR HA 1 41 THR MG . . 3.350 2.236 2.006 2.459 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU HB3 1 127 ILE HA . . 4.180 3.634 2.398 4.182 0.002 16 0 "[ . 1 . 2]" 1
87 1 127 ILE HA 1 127 ILE MG . . 3.240 2.535 2.145 3.200 . 0 0 "[ . 1 . 2]" 1
88 1 9 THR HA 1 9 THR MG . . 3.610 3.195 3.184 3.198 . 0 0 "[ . 1 . 2]" 1
89 1 4 ILE HA 1 4 ILE MD . . 3.570 2.032 1.967 2.068 . 0 0 "[ . 1 . 2]" 1
90 1 26 ILE HA 1 26 ILE MG . . 3.540 2.276 2.143 2.361 . 0 0 "[ . 1 . 2]" 1
91 1 69 VAL HA 1 88 ILE HA . . 3.800 2.193 1.992 2.588 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE HA 1 18 VAL HA . . 3.760 3.302 2.669 3.792 0.032 20 0 "[ . 1 . 2]" 1
93 1 126 THR HA 1 126 THR MG . . 3.310 2.100 1.987 2.280 . 0 0 "[ . 1 . 2]" 1
94 1 128 THR HA 1 128 THR MG . . 3.640 2.337 1.968 3.190 . 0 0 "[ . 1 . 2]" 1
95 1 42 LEU HA 1 64 ILE HA . . 4.730 4.365 3.845 4.774 0.044 11 0 "[ . 1 . 2]" 1
96 1 126 THR HA 1 127 ILE HA . . 5.170 4.459 4.398 4.552 . 0 0 "[ . 1 . 2]" 1
97 1 84 THR HA 1 84 THR MG . . 3.490 2.278 1.964 3.176 . 0 0 "[ . 1 . 2]" 1
98 1 49 GLU HA 1 52 LEU MD1 . . 3.860 3.531 2.570 3.916 0.056 3 0 "[ . 1 . 2]" 1
99 1 49 GLU HA 1 52 LEU MD2 . . 4.060 3.486 2.605 4.069 0.009 16 0 "[ . 1 . 2]" 1
100 1 49 GLU HA 1 49 GLU HG3 . . 3.680 3.593 3.461 3.686 0.006 3 0 "[ . 1 . 2]" 1
101 1 49 GLU HA 1 52 LEU HB3 . . 3.870 2.974 2.098 3.636 . 0 0 "[ . 1 . 2]" 1
102 1 73 ILE HA 1 73 ILE HG13 . . 3.970 2.739 2.523 3.049 . 0 0 "[ . 1 . 2]" 1
103 1 40 SER HB3 1 100 CYS HB3 . . 4.420 3.091 1.992 3.879 . 0 0 "[ . 1 . 2]" 1
104 1 35 CYS HA 1 40 SER HB3 . . 4.700 4.479 2.758 4.722 0.022 7 0 "[ . 1 . 2]" 1
105 1 117 LEU HA 1 117 LEU MD1 . . 4.310 3.535 3.050 4.089 . 0 0 "[ . 1 . 2]" 1
106 1 57 GLU HA 1 73 ILE MD . . 4.090 3.442 2.344 4.093 0.003 2 0 "[ . 1 . 2]" 1
107 1 89 LEU HA 1 89 LEU MD2 . . 4.620 2.722 1.975 3.922 . 0 0 "[ . 1 . 2]" 1
108 1 89 LEU HA 1 89 LEU MD1 . . 4.620 2.919 1.960 3.827 . 0 0 "[ . 1 . 2]" 1
109 1 73 ILE HA 1 73 ILE MG . . 3.500 2.329 2.226 2.406 . 0 0 "[ . 1 . 2]" 1
110 1 88 ILE HA 1 88 ILE MG . . 3.240 2.566 2.171 3.201 . 0 0 "[ . 1 . 2]" 1
111 1 15 VAL HA 1 15 VAL MG2 . . 3.720 2.413 2.339 2.471 . 0 0 "[ . 1 . 2]" 1
112 1 15 VAL HA 1 51 ALA MB . . 5.500 5.210 4.577 5.513 0.013 20 0 "[ . 1 . 2]" 1
113 1 43 PRO HA 1 47 GLN HB3 . . 4.890 4.304 3.714 4.911 0.021 3 0 "[ . 1 . 2]" 1
114 1 93 THR HA 1 93 THR MG . . 3.590 2.400 1.977 3.187 . 0 0 "[ . 1 . 2]" 1
115 1 145 THR HA 1 145 THR MG . . 3.290 2.396 2.045 3.198 . 0 0 "[ . 1 . 2]" 1
116 1 18 VAL HA 1 18 VAL MG1 . . 3.240 2.300 2.221 2.389 . 0 0 "[ . 1 . 2]" 1
117 1 137 TYR HA 1 138 VAL HA . . 4.530 4.391 4.338 4.498 . 0 0 "[ . 1 . 2]" 1
118 1 114 VAL HA 1 114 VAL QG . . 3.160 2.168 2.014 2.340 . 0 0 "[ . 1 . 2]" 1
119 1 40 SER HA 1 102 ASN HA . . 3.820 2.975 2.010 3.495 . 0 0 "[ . 1 . 2]" 1
120 1 34 LEU HA 1 34 LEU MD2 . . 4.120 3.196 2.046 3.910 . 0 0 "[ . 1 . 2]" 1
121 1 45 MET HA 1 64 ILE MD . . 3.820 2.769 2.094 3.810 . 0 0 "[ . 1 . 2]" 1
122 1 44 THR HA 1 65 GLU HB3 . . 4.160 3.082 2.315 3.836 . 0 0 "[ . 1 . 2]" 1
123 1 29 THR HA 1 29 THR MG . . 3.420 2.429 2.032 3.207 . 0 0 "[ . 1 . 2]" 1
124 1 28 ARG HA 1 63 PHE QE . . 4.370 3.921 3.173 4.359 . 0 0 "[ . 1 . 2]" 1
125 1 60 ARG HA 1 60 ARG HD3 . . 4.450 3.464 2.071 4.457 0.007 8 0 "[ . 1 . 2]" 1
126 1 74 HIS HA 1 84 THR MG . . 4.860 4.145 2.885 4.863 0.003 2 0 "[ . 1 . 2]" 1
127 1 48 MET HA 1 48 MET ME . . 3.570 2.927 1.918 3.555 . 0 0 "[ . 1 . 2]" 1
128 1 32 ALA HA 1 42 LEU MD1 . . 3.680 2.566 1.932 3.322 . 0 0 "[ . 1 . 2]" 1
129 1 32 ALA HA 1 42 LEU HG . . 3.500 2.657 2.049 3.392 . 0 0 "[ . 1 . 2]" 1
130 1 32 ALA HA 1 42 LEU MD2 . . 3.680 2.752 2.077 3.197 . 0 0 "[ . 1 . 2]" 1
131 1 51 ALA HA 1 54 ILE HG13 . . 3.700 2.403 2.125 2.704 . 0 0 "[ . 1 . 2]" 1
132 1 31 ALA HA 1 98 THR MG . . 3.300 2.841 1.981 3.302 0.002 6 0 "[ . 1 . 2]" 1
133 1 26 ILE HB 1 31 ALA HA . . 5.370 5.095 4.620 5.382 0.012 14 0 "[ . 1 . 2]" 1
134 1 70 ILE HA 1 71 PRO HD3 . . 3.900 2.598 2.281 2.783 . 0 0 "[ . 1 . 2]" 1
135 1 42 LEU HA 1 43 PRO HD3 . . 3.870 2.318 2.254 2.586 . 0 0 "[ . 1 . 2]" 1
136 1 48 MET ME 1 71 PRO HD3 . . 4.470 2.319 1.883 3.528 . 0 0 "[ . 1 . 2]" 1
137 1 46 ALA HA 1 49 GLU HG3 . . 3.370 3.059 2.612 3.350 . 0 0 "[ . 1 . 2]" 1
138 1 16 PHE QD 1 18 VAL MG2 . . 3.930 2.961 2.415 3.480 . 0 0 "[ . 1 . 2]" 1
139 1 70 ILE MG 1 87 TYR QD . . 3.790 2.984 2.024 3.389 . 0 0 "[ . 1 . 2]" 1
140 1 8 ILE HB 1 16 PHE QD . . 4.920 4.423 2.638 4.951 0.031 8 0 "[ . 1 . 2]" 1
141 1 11 ARG HG3 1 16 PHE QD . . 4.840 3.747 1.996 4.848 0.008 16 0 "[ . 1 . 2]" 1
142 1 42 LEU HA 1 100 CYS HA . . 4.020 2.839 2.272 3.722 . 0 0 "[ . 1 . 2]" 1
143 1 88 ILE MD 1 88 ILE MG . . 3.710 2.159 1.819 2.818 . 0 0 "[ . 1 . 2]" 1
144 1 62 GLY HA3 1 98 THR HA . . 4.320 4.012 3.602 4.361 0.041 9 0 "[ . 1 . 2]" 1
145 1 43 PRO HA 1 101 PHE HB3 . . 4.150 2.835 2.099 3.821 . 0 0 "[ . 1 . 2]" 1
146 1 13 ALA MB 1 107 PRO HA . . 3.790 3.190 2.096 3.726 . 0 0 "[ . 1 . 2]" 1
147 1 26 ILE HA 1 26 ILE MD . . 4.090 3.544 2.069 3.904 . 0 0 "[ . 1 . 2]" 1
148 1 64 ILE HA 1 64 ILE MG . . 3.320 2.334 2.208 2.425 . 0 0 "[ . 1 . 2]" 1
149 1 48 MET HA 1 51 ALA MB . . 3.680 3.257 2.738 3.615 . 0 0 "[ . 1 . 2]" 1
150 1 54 ILE HA 1 54 ILE MG . . 3.240 2.379 2.229 2.570 . 0 0 "[ . 1 . 2]" 1
151 1 129 ILE HA 1 129 ILE MG . . 3.550 2.878 2.143 3.201 . 0 0 "[ . 1 . 2]" 1
152 1 129 ILE HA 1 129 ILE MD . . 3.970 3.568 1.977 4.004 0.034 12 0 "[ . 1 . 2]" 1
153 1 129 ILE HA 1 129 ILE HG13 . . 3.970 2.763 2.207 3.531 . 0 0 "[ . 1 . 2]" 1
154 1 44 THR HA 1 44 THR MG . . 3.390 2.459 1.971 3.204 . 0 0 "[ . 1 . 2]" 1
155 1 15 VAL MG1 1 48 MET HA . . 4.140 3.783 3.334 4.152 0.012 8 0 "[ . 1 . 2]" 1
156 1 76 ASN HA 1 82 ASN HA . . 4.790 4.357 3.493 4.807 0.017 19 0 "[ . 1 . 2]" 1
157 1 67 HIS HA 1 68 VAL MG2 . . 3.930 3.391 3.132 3.935 0.005 8 0 "[ . 1 . 2]" 1
158 1 27 SER HA 1 95 GLN HA . . 4.210 3.298 2.225 4.143 . 0 0 "[ . 1 . 2]" 1
159 1 5 ASP HA 1 126 THR HB . . 4.080 3.153 2.192 3.980 . 0 0 "[ . 1 . 2]" 1
160 1 101 PHE QD 1 103 ALA HA . . 5.110 4.872 4.582 5.062 . 0 0 "[ . 1 . 2]" 1
161 1 45 MET ME 1 64 ILE MD . . 4.910 3.960 2.959 4.921 0.011 13 0 "[ . 1 . 2]" 1
162 1 45 MET ME 1 88 ILE MG . . 5.300 4.271 2.463 5.315 0.015 11 0 "[ . 1 . 2]" 1
163 1 26 ILE MG 1 63 PHE QE . . 4.240 3.998 3.148 4.248 0.008 19 0 "[ . 1 . 2]" 1
164 1 31 ALA MB 1 98 THR HA . . 4.700 3.941 3.651 4.599 . 0 0 "[ . 1 . 2]" 1
165 1 51 ALA MB 1 56 PHE QD . . 4.400 2.675 1.996 3.436 . 0 0 "[ . 1 . 2]" 1
166 1 43 PRO HA 1 44 THR MG . . 4.330 3.628 3.165 4.345 0.015 9 0 "[ . 1 . 2]" 1
167 1 43 PRO HA 1 101 PHE QD . . 4.820 3.921 3.156 4.503 . 0 0 "[ . 1 . 2]" 1
168 1 117 LEU HA 1 117 LEU MD2 . . 4.310 3.714 3.174 4.122 . 0 0 "[ . 1 . 2]" 1
169 1 113 SER HA 1 129 ILE MD . . 4.510 3.768 1.890 4.607 0.097 6 0 "[ . 1 . 2]" 1
170 1 52 LEU HA 1 52 LEU MD2 . . 4.530 3.797 3.371 3.981 . 0 0 "[ . 1 . 2]" 1
171 1 26 ILE MG 1 31 ALA HA . . 3.390 2.801 2.343 3.269 . 0 0 "[ . 1 . 2]" 1
172 1 64 ILE HA 1 65 GLU HA . . 4.360 4.333 4.300 4.356 . 0 0 "[ . 1 . 2]" 1
173 1 15 VAL MG2 1 101 PHE QE . . 4.640 3.227 2.899 3.616 . 0 0 "[ . 1 . 2]" 1
174 1 12 PHE HA 1 54 ILE MD . . 4.570 4.070 2.420 4.581 0.011 17 0 "[ . 1 . 2]" 1
175 1 117 LEU MD1 1 121 PHE QD . . 5.500 4.513 2.886 5.587 0.087 6 0 "[ . 1 . 2]" 1
176 1 117 LEU MD2 1 121 PHE QD . . 5.500 4.341 2.784 5.505 0.005 14 0 "[ . 1 . 2]" 1
177 1 38 PHE QD 1 127 ILE MG . . 4.180 3.820 3.215 4.194 0.014 18 0 "[ . 1 . 2]" 1
178 1 121 PHE HA 1 121 PHE QD . . 4.310 2.751 1.997 3.723 . 0 0 "[ . 1 . 2]" 1
179 1 52 LEU MD2 1 85 GLY HA2 . . 3.800 2.954 1.977 3.634 . 0 0 "[ . 1 . 2]" 1
180 1 52 LEU MD2 1 85 GLY HA3 . . 4.950 4.390 3.178 4.955 0.005 6 0 "[ . 1 . 2]" 1
181 1 51 ALA MB 1 56 PHE HB3 . . 4.130 2.884 2.022 3.874 . 0 0 "[ . 1 . 2]" 1
182 1 15 VAL HB 1 51 ALA MB . . 3.540 2.762 2.195 3.084 . 0 0 "[ . 1 . 2]" 1
183 1 129 ILE MG 1 137 TYR QD . . 5.490 4.880 2.522 5.546 0.056 6 0 "[ . 1 . 2]" 1
184 1 4 ILE HB 1 125 ILE HA . . 4.110 3.704 3.199 3.971 . 0 0 "[ . 1 . 2]" 1
185 1 7 ASN HA 1 128 THR HB . . 4.470 3.434 2.288 4.470 0.000 5 0 "[ . 1 . 2]" 1
186 1 126 THR HA 1 127 ILE MG . . 3.870 3.583 3.352 3.890 0.020 4 0 "[ . 1 . 2]" 1
187 1 15 VAL MG1 1 51 ALA MB . . 3.640 3.091 2.648 3.645 0.005 20 0 "[ . 1 . 2]" 1
188 1 15 VAL MG2 1 51 ALA MB . . 3.270 2.831 2.218 3.223 . 0 0 "[ . 1 . 2]" 1
189 1 64 ILE MG 1 99 TYR QD . . 4.260 3.084 2.083 3.737 . 0 0 "[ . 1 . 2]" 1
190 1 18 VAL MG1 1 34 LEU MD2 . . 3.470 2.326 1.809 3.222 . 0 0 "[ . 1 . 2]" 1
191 1 18 VAL MG1 1 98 THR MG . . 3.790 3.125 2.814 3.273 . 0 0 "[ . 1 . 2]" 1
192 1 18 VAL MG1 1 34 LEU HG . . 3.490 2.697 1.941 3.494 0.004 3 0 "[ . 1 . 2]" 1
193 1 31 ALA MB 1 98 THR HB . . 3.720 2.809 2.164 3.406 . 0 0 "[ . 1 . 2]" 1
194 1 16 PHE QE 1 100 CYS HB3 . . 4.730 3.626 3.179 4.084 . 0 0 "[ . 1 . 2]" 1
195 1 32 ALA MB 1 42 LEU MD1 . . 3.560 2.154 1.759 2.854 . 0 0 "[ . 1 . 2]" 1
196 1 34 LEU HA 1 34 LEU MD1 . . 4.270 2.370 1.975 3.572 . 0 0 "[ . 1 . 2]" 1
197 1 8 ILE MG 1 18 VAL MG2 . . 3.470 3.019 2.163 3.479 0.009 5 0 "[ . 1 . 2]" 1
198 1 54 ILE MD 1 108 GLU HA . . 4.160 3.983 3.165 4.177 0.017 12 0 "[ . 1 . 2]" 1
199 1 63 PHE QE 1 68 VAL MG2 . . 4.480 2.892 2.057 4.526 0.046 12 0 "[ . 1 . 2]" 1
200 1 55 GLY HA2 1 73 ILE MD . . 3.620 2.365 1.918 2.878 . 0 0 "[ . 1 . 2]" 1
201 1 8 ILE MD 1 127 ILE MG . . 4.010 3.557 2.583 3.898 . 0 0 "[ . 1 . 2]" 1
202 1 15 VAL MG2 1 43 PRO HB3 . . 4.370 3.243 2.569 3.739 . 0 0 "[ . 1 . 2]" 1
203 1 15 VAL MG1 1 43 PRO HB3 . . 4.710 3.042 2.051 4.241 . 0 0 "[ . 1 . 2]" 1
204 1 58 THR HA 1 58 THR MG . . 3.530 2.841 2.077 3.192 . 0 0 "[ . 1 . 2]" 1
205 1 52 LEU HA 1 55 GLY HA2 . . 5.500 5.167 4.107 5.548 0.048 20 0 "[ . 1 . 2]" 1
206 1 52 LEU HA 1 56 PHE HA . . 5.500 4.889 4.381 5.341 . 0 0 "[ . 1 . 2]" 1
207 1 125 ILE MG 1 126 THR HA . . 4.200 3.913 3.489 4.125 . 0 0 "[ . 1 . 2]" 1
208 1 64 ILE MG 1 69 VAL MG2 . . 3.600 2.396 1.725 3.465 . 0 0 "[ . 1 . 2]" 1
209 1 15 VAL MG2 1 48 MET HA . . 4.390 4.169 3.703 4.410 0.020 8 0 "[ . 1 . 2]" 1
210 1 13 ALA HA 1 108 GLU HA . . 4.030 3.755 3.303 4.050 0.020 5 0 "[ . 1 . 2]" 1
211 1 35 CYS HA 1 100 CYS HB3 . . 3.600 3.193 2.857 3.449 . 0 0 "[ . 1 . 2]" 1
212 1 40 SER HA 1 100 CYS HB3 . . 5.360 5.105 4.280 5.389 0.029 6 0 "[ . 1 . 2]" 1
213 1 17 HIS HB3 1 99 TYR QE . . 4.290 3.035 2.004 4.178 . 0 0 "[ . 1 . 2]" 1
214 1 17 HIS HA 1 99 TYR QE . . 4.440 4.009 3.614 4.459 0.019 11 0 "[ . 1 . 2]" 1
215 1 38 PHE QD 1 127 ILE MD . . 4.180 3.274 2.189 4.184 0.004 9 0 "[ . 1 . 2]" 1
216 1 64 ILE MG 1 99 TYR QE . . 5.210 4.511 3.795 5.207 . 0 0 "[ . 1 . 2]" 1
217 1 58 THR MG 1 99 TYR QE . . 3.740 3.204 2.790 3.744 0.004 15 0 "[ . 1 . 2]" 1
218 1 70 ILE MG 1 87 TYR QE . . 5.020 4.735 3.820 5.051 0.031 6 0 "[ . 1 . 2]" 1
219 1 61 TYR QD 1 68 VAL MG1 . . 4.700 3.139 2.073 4.227 . 0 0 "[ . 1 . 2]" 1
220 1 43 PRO HD3 1 64 ILE MG . . 4.730 4.517 3.796 4.744 0.014 13 0 "[ . 1 . 2]" 1
221 1 117 LEU HA 1 117 LEU HG . . 3.770 3.042 2.158 3.676 . 0 0 "[ . 1 . 2]" 1
222 1 143 TYR HA 1 143 TYR QD . . 3.850 3.085 2.149 3.740 . 0 0 "[ . 1 . 2]" 1
223 1 62 GLY HA3 1 99 TYR QD . . 4.180 3.069 2.529 3.996 . 0 0 "[ . 1 . 2]" 1
224 1 115 THR HA 1 116 ASP HA . . 4.580 4.459 4.316 4.592 0.012 14 0 "[ . 1 . 2]" 1
225 1 19 GLU HA 1 19 GLU HG3 . . 3.540 2.474 2.129 3.387 . 0 0 "[ . 1 . 2]" 1
226 1 105 ALA HA 1 106 PRO HB3 . . 5.020 4.865 4.845 4.869 . 0 0 "[ . 1 . 2]" 1
227 1 18 VAL HB 1 98 THR MG . . 3.600 2.109 1.929 2.393 . 0 0 "[ . 1 . 2]" 1
228 1 52 LEU MD1 1 85 GLY HA3 . . 5.170 4.468 3.689 5.203 0.033 6 0 "[ . 1 . 2]" 1
229 1 130 VAL HA 1 130 VAL MG1 . . 3.400 2.406 2.163 3.204 . 0 0 "[ . 1 . 2]" 1
230 1 130 VAL HA 1 130 VAL MG2 . . 3.400 2.880 2.352 3.201 . 0 0 "[ . 1 . 2]" 1
231 1 52 LEU HA 1 52 LEU MD1 . . 3.650 2.905 2.324 3.623 . 0 0 "[ . 1 . 2]" 1
232 1 24 TYR HB3 1 96 TYR HA . . 4.940 3.198 1.990 4.968 0.028 18 0 "[ . 1 . 2]" 1
233 1 70 ILE HA 1 70 ILE MD . . 4.780 3.674 3.500 3.845 . 0 0 "[ . 1 . 2]" 1
234 1 57 GLU HA 1 72 ARG HA . . 4.690 2.948 2.391 3.799 . 0 0 "[ . 1 . 2]" 1
235 1 88 ILE HA 1 88 ILE MD . . 4.290 3.733 2.055 4.181 . 0 0 "[ . 1 . 2]" 1
236 1 70 ILE MG 1 88 ILE HA . . 4.510 3.752 2.818 4.517 0.007 10 0 "[ . 1 . 2]" 1
237 1 88 ILE HA 1 88 ILE HG13 . . 4.070 3.062 2.198 3.798 . 0 0 "[ . 1 . 2]" 1
238 1 38 PHE HZ 1 127 ILE MD . . 4.390 3.329 1.908 4.400 0.010 17 0 "[ . 1 . 2]" 1
239 1 62 GLY H 1 99 TYR QE . . 3.940 3.457 2.525 3.943 0.003 7 0 "[ . 1 . 2]" 1
240 1 62 GLY H 1 69 VAL H . . 4.120 3.486 3.101 3.995 . 0 0 "[ . 1 . 2]" 1
241 1 61 TYR HA 1 62 GLY H . . 3.520 2.312 2.168 2.498 . 0 0 "[ . 1 . 2]" 1
242 1 58 THR HB 1 59 CYS H . . 3.980 3.405 2.176 4.009 0.029 16 0 "[ . 1 . 2]" 1
243 1 6 LEU HA 1 7 ASN H . . 3.200 2.256 2.143 2.554 . 0 0 "[ . 1 . 2]" 1
244 1 126 THR HA 1 127 ILE H . . 3.130 2.341 2.150 2.563 . 0 0 "[ . 1 . 2]" 1
245 1 126 THR HB 1 127 ILE H . . 4.150 3.357 2.044 4.140 . 0 0 "[ . 1 . 2]" 1
246 1 127 ILE HA 1 128 THR H . . 3.290 2.290 2.189 2.537 . 0 0 "[ . 1 . 2]" 1
247 1 78 ILE H 1 79 CYS H . . 3.310 2.565 2.247 2.751 . 0 0 "[ . 1 . 2]" 1
248 1 16 PHE H 1 100 CYS H . . 3.950 3.051 2.661 3.450 . 0 0 "[ . 1 . 2]" 1
249 1 16 PHE QD 1 100 CYS H . . 4.410 4.158 3.740 4.410 0.000 5 0 "[ . 1 . 2]" 1
250 1 99 TYR HA 1 100 CYS H . . 3.340 2.249 2.142 2.319 . 0 0 "[ . 1 . 2]" 1
251 1 35 CYS H 1 37 ALA H . . 4.380 4.032 3.806 4.270 . 0 0 "[ . 1 . 2]" 1
252 1 37 ALA H 1 38 PHE H . . 3.350 2.567 2.520 2.615 . 0 0 "[ . 1 . 2]" 1
253 1 55 GLY H 1 56 PHE H . . 3.650 2.232 1.876 3.601 . 0 0 "[ . 1 . 2]" 1
254 1 54 ILE H 1 55 GLY H . . 3.440 2.401 2.044 2.795 . 0 0 "[ . 1 . 2]" 1
255 1 133 ASP H 1 134 GLY H . . 4.070 2.551 1.886 3.069 . 0 0 "[ . 1 . 2]" 1
256 1 63 PHE QD 1 64 ILE H . . 4.160 3.884 2.944 4.181 0.021 4 0 "[ . 1 . 2]" 1
257 1 64 ILE H 1 67 HIS H . . 4.540 3.493 2.896 4.492 . 0 0 "[ . 1 . 2]" 1
258 1 63 PHE HA 1 64 ILE H . . 3.080 2.225 2.140 2.438 . 0 0 "[ . 1 . 2]" 1
259 1 64 ILE H 1 68 VAL HA . . 4.260 3.662 2.942 4.297 0.037 12 0 "[ . 1 . 2]" 1
260 1 16 PHE QD 1 102 ASN H . . 4.550 3.688 3.022 4.182 . 0 0 "[ . 1 . 2]" 1
261 1 101 PHE QD 1 102 ASN H . . 4.680 2.997 2.376 3.685 . 0 0 "[ . 1 . 2]" 1
262 1 101 PHE HA 1 102 ASN H . . 3.160 2.184 2.143 2.253 . 0 0 "[ . 1 . 2]" 1
263 1 102 ASN H 1 102 ASN HB3 . . 3.740 2.941 2.362 3.573 . 0 0 "[ . 1 . 2]" 1
264 1 129 ILE HA 1 130 VAL H . . 3.380 2.311 2.160 2.559 . 0 0 "[ . 1 . 2]" 1
265 1 107 PRO HA 1 108 GLU H . . 3.570 2.916 2.422 3.429 . 0 0 "[ . 1 . 2]" 1
266 1 13 ALA HA 1 108 GLU H . . 4.220 2.960 1.971 3.893 . 0 0 "[ . 1 . 2]" 1
267 1 30 GLU H 1 31 ALA HA . . 5.080 4.882 4.723 5.083 0.003 12 0 "[ . 1 . 2]" 1
268 1 30 GLU H 1 30 GLU HB3 . . 3.860 3.171 2.513 3.618 . 0 0 "[ . 1 . 2]" 1
269 1 41 THR H 1 101 PHE H . . 3.820 3.138 2.314 3.666 . 0 0 "[ . 1 . 2]" 1
270 1 85 GLY H 1 86 VAL H . . 4.910 4.584 4.419 4.641 . 0 0 "[ . 1 . 2]" 1
271 1 84 THR HA 1 85 GLY H . . 3.530 2.484 2.145 2.690 . 0 0 "[ . 1 . 2]" 1
272 1 84 THR HB 1 85 GLY H . . 3.480 2.475 1.947 3.607 0.127 12 0 "[ . 1 . 2]" 1
273 1 62 GLY H 1 68 VAL MG1 . . 4.140 2.902 2.343 4.142 0.002 12 0 "[ . 1 . 2]" 1
274 1 11 ARG HB3 1 11 ARG HE . . 4.740 3.794 2.309 4.656 . 0 0 "[ . 1 . 2]" 1
275 1 73 ILE H 1 74 HIS H . . 3.430 2.665 2.263 2.994 . 0 0 "[ . 1 . 2]" 1
276 1 73 ILE HB 1 74 HIS H . . 3.600 2.030 1.890 2.320 . 0 0 "[ . 1 . 2]" 1
277 1 73 ILE MD 1 74 HIS H . . 4.340 3.813 3.196 4.333 . 0 0 "[ . 1 . 2]" 1
278 1 73 ILE MG 1 74 HIS H . . 4.110 2.883 2.634 3.345 . 0 0 "[ . 1 . 2]" 1
279 1 6 LEU HA 1 21 ASN H . . 4.230 3.606 3.158 3.988 . 0 0 "[ . 1 . 2]" 1
280 1 20 LYS HA 1 21 ASN H . . 3.170 2.402 2.195 2.637 . 0 0 "[ . 1 . 2]" 1
281 1 21 ASN H 1 22 GLY H . . 4.060 2.875 2.625 3.352 . 0 0 "[ . 1 . 2]" 1
282 1 24 TYR H 1 24 TYR QD . . 3.960 2.858 2.562 3.133 . 0 0 "[ . 1 . 2]" 1
283 1 75 PRO HA 1 76 ASN H . . 3.420 2.618 2.385 2.709 . 0 0 "[ . 1 . 2]" 1
284 1 11 ARG H 1 110 ASP H . . 4.420 3.808 2.665 4.447 0.027 11 0 "[ . 1 . 2]" 1
285 1 101 PHE H 1 102 ASN H . . 4.690 4.361 4.062 4.466 . 0 0 "[ . 1 . 2]" 1
286 1 87 TYR H 1 87 TYR QD . . 4.460 4.139 3.724 4.428 . 0 0 "[ . 1 . 2]" 1
287 1 88 ILE HA 1 89 LEU H . . 3.220 2.284 2.145 2.563 . 0 0 "[ . 1 . 2]" 1
288 1 88 ILE H 1 88 ILE HB . . 3.940 3.009 2.679 3.891 . 0 0 "[ . 1 . 2]" 1
289 1 87 TYR HA 1 88 ILE H . . 3.140 2.246 2.139 2.411 . 0 0 "[ . 1 . 2]" 1
290 1 87 TYR QD 1 88 ILE H . . 4.330 3.050 2.227 3.677 . 0 0 "[ . 1 . 2]" 1
291 1 138 VAL H 1 138 VAL HB . . 3.820 3.170 2.637 3.876 0.056 2 0 "[ . 1 . 2]" 1
292 1 150 ILE HA 1 151 TYR H . . 3.160 2.307 2.140 2.617 . 0 0 "[ . 1 . 2]" 1
293 1 10 CYS HB3 1 11 ARG H . . 3.840 2.556 2.095 3.316 . 0 0 "[ . 1 . 2]" 1
294 1 27 SER HA 1 28 ARG H . . 3.540 2.440 2.191 2.710 . 0 0 "[ . 1 . 2]" 1
295 1 58 THR HA 1 60 ARG H . . 4.570 3.955 3.689 4.169 . 0 0 "[ . 1 . 2]" 1
296 1 52 LEU MD1 1 72 ARG H . . 3.670 1.998 1.882 2.285 . 0 0 "[ . 1 . 2]" 1
297 1 71 PRO HA 1 72 ARG H . . 3.330 2.238 2.169 2.426 . 0 0 "[ . 1 . 2]" 1
298 1 15 VAL MG2 1 16 PHE H . . 4.260 4.022 3.852 4.176 . 0 0 "[ . 1 . 2]" 1
299 1 15 VAL HA 1 16 PHE H . . 3.330 2.181 2.141 2.274 . 0 0 "[ . 1 . 2]" 1
300 1 56 PHE H 1 56 PHE HB3 . . 3.940 2.981 2.677 3.340 . 0 0 "[ . 1 . 2]" 1
301 1 11 ARG HB3 1 12 PHE H . . 4.490 3.781 2.381 4.345 . 0 0 "[ . 1 . 2]" 1
302 1 11 ARG HA 1 12 PHE H . . 3.340 2.177 2.139 2.459 . 0 0 "[ . 1 . 2]" 1
303 1 12 PHE H 1 12 PHE QD . . 3.720 2.531 2.026 3.500 . 0 0 "[ . 1 . 2]" 1
304 1 88 ILE MG 1 89 LEU H . . 4.080 3.251 1.920 3.953 . 0 0 "[ . 1 . 2]" 1
305 1 64 ILE HG13 1 67 HIS H . . 3.910 2.339 1.918 2.687 . 0 0 "[ . 1 . 2]" 1
306 1 64 ILE MD 1 67 HIS H . . 3.890 3.059 1.911 3.586 . 0 0 "[ . 1 . 2]" 1
307 1 60 ARG H 1 70 ILE MD . . 4.230 2.553 1.878 3.410 . 0 0 "[ . 1 . 2]" 1
308 1 47 GLN H 1 48 MET H . . 3.520 2.818 2.682 2.980 . 0 0 "[ . 1 . 2]" 1
309 1 45 MET HA 1 48 MET H . . 4.080 3.890 3.513 4.111 0.031 20 0 "[ . 1 . 2]" 1
310 1 48 MET H 1 48 MET HB3 . . 3.670 3.583 3.566 3.594 . 0 0 "[ . 1 . 2]" 1
311 1 47 GLN HB3 1 48 MET H . . 3.960 3.289 2.959 3.644 . 0 0 "[ . 1 . 2]" 1
312 1 15 VAL MG2 1 48 MET H . . 4.880 4.719 4.426 4.885 0.005 4 0 "[ . 1 . 2]" 1
313 1 125 ILE H 1 125 ILE MG . . 4.190 3.896 3.767 3.971 . 0 0 "[ . 1 . 2]" 1
314 1 47 GLN H 1 47 GLN HB3 . . 3.660 3.525 3.451 3.591 . 0 0 "[ . 1 . 2]" 1
315 1 8 ILE HA 1 9 THR H . . 3.460 2.167 2.139 2.241 . 0 0 "[ . 1 . 2]" 1
316 1 43 PRO HA 1 44 THR H . . 3.340 2.468 2.222 2.669 . 0 0 "[ . 1 . 2]" 1
317 1 44 THR H 1 44 THR MG . . 3.580 2.664 1.999 3.602 0.022 19 0 "[ . 1 . 2]" 1
318 1 9 THR H 1 9 THR MG . . 3.610 2.172 2.125 2.281 . 0 0 "[ . 1 . 2]" 1
319 1 9 THR H 1 17 HIS H . . 4.660 4.185 3.326 4.306 . 0 0 "[ . 1 . 2]" 1
320 1 44 THR H 1 45 MET H . . 5.170 4.427 4.359 4.532 . 0 0 "[ . 1 . 2]" 1
321 1 44 THR H 1 47 GLN HB3 . . 4.130 3.329 2.750 4.142 0.012 3 0 "[ . 1 . 2]" 1
322 1 66 GLY H 1 67 HIS H . . 4.850 2.850 2.212 3.260 . 0 0 "[ . 1 . 2]" 1
323 1 137 TYR HA 1 138 VAL H . . 3.430 2.434 2.138 2.915 . 0 0 "[ . 1 . 2]" 1
324 1 130 VAL HA 1 137 TYR H . . 4.220 3.744 2.465 4.090 . 0 0 "[ . 1 . 2]" 1
325 1 130 VAL HB 1 131 ASN H . . 4.050 3.366 1.943 4.207 0.157 16 0 "[ . 1 . 2]" 1
326 1 129 ILE MG 1 130 VAL H . . 3.950 3.346 1.913 3.960 0.010 17 0 "[ . 1 . 2]" 1
327 1 114 VAL H 1 114 VAL HB . . 3.910 3.424 2.615 3.905 . 0 0 "[ . 1 . 2]" 1
328 1 114 VAL H 1 114 VAL QG . . 3.730 2.318 1.926 2.915 . 0 0 "[ . 1 . 2]" 1
329 1 113 SER HA 1 114 VAL H . . 3.360 2.319 2.149 2.734 . 0 0 "[ . 1 . 2]" 1
330 1 112 THR HB 1 113 SER H . . 3.390 2.538 1.941 3.443 0.053 6 0 "[ . 1 . 2]" 1
331 1 95 GLN HA 1 96 TYR H . . 3.270 2.259 2.139 2.614 . 0 0 "[ . 1 . 2]" 1
332 1 112 THR MG 1 113 SER H . . 4.120 3.663 2.881 4.221 0.101 6 0 "[ . 1 . 2]" 1
333 1 9 THR MG 1 17 HIS H . . 3.630 2.861 1.891 3.536 . 0 0 "[ . 1 . 2]" 1
334 1 26 ILE H 1 26 ILE HB . . 3.440 2.673 2.525 2.905 . 0 0 "[ . 1 . 2]" 1
335 1 67 HIS HA 1 68 VAL H . . 3.500 2.602 2.313 2.720 . 0 0 "[ . 1 . 2]" 1
336 1 94 SER HA 1 95 GLN H . . 3.480 2.425 2.138 2.688 . 0 0 "[ . 1 . 2]" 1
337 1 95 GLN H 1 95 GLN HG3 . . 4.320 3.563 2.726 4.062 . 0 0 "[ . 1 . 2]" 1
338 1 114 VAL HA 1 115 THR H . . 3.560 3.111 2.524 3.568 0.008 5 0 "[ . 1 . 2]" 1
339 1 63 PHE H 1 98 THR HA . . 3.380 2.477 1.943 3.144 . 0 0 "[ . 1 . 2]" 1
340 1 63 PHE H 1 98 THR HB . . 4.790 4.425 3.951 4.772 . 0 0 "[ . 1 . 2]" 1
341 1 50 LYS H 1 50 LYS HB3 . . 3.250 2.724 2.452 3.209 . 0 0 "[ . 1 . 2]" 1
342 1 63 PHE H 1 63 PHE QD . . 3.740 3.336 2.005 3.707 . 0 0 "[ . 1 . 2]" 1
343 1 51 ALA MB 1 52 LEU H . . 3.170 2.970 2.658 3.215 0.045 20 0 "[ . 1 . 2]" 1
344 1 44 THR MG 1 45 MET H . . 4.120 3.459 2.782 3.744 . 0 0 "[ . 1 . 2]" 1
345 1 45 MET H 1 64 ILE MD . . 4.390 3.474 2.460 4.379 . 0 0 "[ . 1 . 2]" 1
346 1 15 VAL MG1 1 16 PHE H . . 3.700 2.360 2.016 2.939 . 0 0 "[ . 1 . 2]" 1
347 1 48 MET H 1 49 GLU H . . 3.480 2.885 2.747 3.003 . 0 0 "[ . 1 . 2]" 1
348 1 38 PHE H 1 39 ASN H . . 3.450 2.626 2.358 2.950 . 0 0 "[ . 1 . 2]" 1
349 1 39 ASN H 1 39 ASN HA . . 2.830 2.278 2.274 2.299 . 0 0 "[ . 1 . 2]" 1
350 1 36 LYS HA 1 39 ASN H . . 4.200 3.885 3.403 4.218 0.018 15 0 "[ . 1 . 2]" 1
351 1 39 ASN H 1 39 ASN HB3 . . 4.040 3.619 2.924 3.822 . 0 0 "[ . 1 . 2]" 1
352 1 98 THR HA 1 99 TYR H . . 3.560 2.208 2.173 2.300 . 0 0 "[ . 1 . 2]" 1
353 1 25 SER H 1 26 ILE H . . 3.680 2.729 2.098 3.593 . 0 0 "[ . 1 . 2]" 1
354 1 103 ALA MB 1 104 SER H . . 4.060 3.538 2.876 3.717 . 0 0 "[ . 1 . 2]" 1
355 1 98 THR H 1 98 THR MG . . 3.820 2.365 2.152 2.589 . 0 0 "[ . 1 . 2]" 1
356 1 97 ASP HB3 1 98 THR H . . 3.960 2.832 1.951 3.634 . 0 0 "[ . 1 . 2]" 1
357 1 38 PHE H 1 40 SER H . . 3.910 3.197 2.785 3.740 . 0 0 "[ . 1 . 2]" 1
358 1 18 VAL H 1 98 THR H . . 4.590 3.463 3.017 4.042 . 0 0 "[ . 1 . 2]" 1
359 1 39 ASN H 1 40 SER H . . 3.390 2.792 2.629 2.951 . 0 0 "[ . 1 . 2]" 1
360 1 36 LYS HA 1 40 SER H . . 3.360 2.878 2.562 3.250 . 0 0 "[ . 1 . 2]" 1
361 1 39 ASN HA 1 40 SER H . . 3.330 2.829 2.628 3.060 . 0 0 "[ . 1 . 2]" 1
362 1 57 GLU HB3 1 58 THR H . . 4.380 4.161 3.893 4.379 . 0 0 "[ . 1 . 2]" 1
363 1 58 THR H 1 58 THR MG . . 4.310 2.708 2.219 3.468 . 0 0 "[ . 1 . 2]" 1
364 1 57 GLU HA 1 58 THR H . . 3.410 2.195 2.140 2.324 . 0 0 "[ . 1 . 2]" 1
365 1 81 ALA MB 1 82 ASN H . . 4.270 3.660 3.576 3.721 . 0 0 "[ . 1 . 2]" 1
366 1 40 SER HA 1 41 THR H . . 3.250 2.499 2.301 2.655 . 0 0 "[ . 1 . 2]" 1
367 1 41 THR H 1 41 THR MG . . 3.800 3.154 2.614 3.835 0.035 6 0 "[ . 1 . 2]" 1
368 1 9 THR HB 1 10 CYS H . . 3.770 3.547 3.510 3.584 . 0 0 "[ . 1 . 2]" 1
369 1 52 LEU H 1 53 SER H . . 3.710 2.857 2.626 3.055 . 0 0 "[ . 1 . 2]" 1
370 1 52 LEU MD2 1 53 SER H . . 4.050 3.448 2.592 4.035 . 0 0 "[ . 1 . 2]" 1
371 1 53 SER H 1 54 ILE H . . 3.570 2.427 2.135 2.575 . 0 0 "[ . 1 . 2]" 1
372 1 54 ILE H 1 54 ILE HG13 . . 3.510 2.355 2.176 2.500 . 0 0 "[ . 1 . 2]" 1
373 1 54 ILE H 1 54 ILE MG . . 4.000 3.579 2.154 3.793 . 0 0 "[ . 1 . 2]" 1
374 1 109 GLU HA 1 110 ASP H . . 3.360 2.330 2.139 2.559 . 0 0 "[ . 1 . 2]" 1
375 1 12 PHE HA 1 110 ASP H . . 4.350 3.778 3.048 4.346 . 0 0 "[ . 1 . 2]" 1
376 1 110 ASP H 1 110 ASP HB3 . . 4.190 2.934 2.264 3.690 . 0 0 "[ . 1 . 2]" 1
377 1 109 GLU HB3 1 110 ASP H . . 4.630 4.451 4.010 4.646 0.016 20 0 "[ . 1 . 2]" 1
378 1 57 GLU HB3 1 73 ILE H . . 3.930 2.638 1.987 3.490 . 0 0 "[ . 1 . 2]" 1
379 1 73 ILE H 1 73 ILE HG13 . . 4.360 2.530 1.997 2.858 . 0 0 "[ . 1 . 2]" 1
380 1 73 ILE H 1 73 ILE HB . . 3.730 2.551 2.479 2.713 . 0 0 "[ . 1 . 2]" 1
381 1 73 ILE H 1 73 ILE MD . . 4.580 3.348 2.545 3.898 . 0 0 "[ . 1 . 2]" 1
382 1 73 ILE H 1 73 ILE MG . . 4.480 3.803 3.764 3.879 . 0 0 "[ . 1 . 2]" 1
383 1 72 ARG HA 1 73 ILE H . . 3.440 2.168 2.140 2.249 . 0 0 "[ . 1 . 2]" 1
384 1 76 ASN H 1 79 CYS H . . 4.510 3.473 3.086 4.327 . 0 0 "[ . 1 . 2]" 1
385 1 17 HIS H 1 18 VAL H . . 5.180 4.497 4.329 4.565 . 0 0 "[ . 1 . 2]" 1
386 1 16 PHE QD 1 17 HIS H . . 4.010 3.454 3.021 3.719 . 0 0 "[ . 1 . 2]" 1
387 1 17 HIS H 1 17 HIS HB3 . . 3.730 2.653 2.326 2.814 . 0 0 "[ . 1 . 2]" 1
388 1 96 TYR HB3 1 97 ASP H . . 3.740 2.279 1.933 3.527 . 0 0 "[ . 1 . 2]" 1
389 1 51 ALA H 1 52 LEU H . . 3.770 2.620 2.459 2.752 . 0 0 "[ . 1 . 2]" 1
390 1 50 LYS HB3 1 51 ALA H . . 3.810 2.290 2.008 2.667 . 0 0 "[ . 1 . 2]" 1
391 1 51 ALA H 1 51 ALA MB . . 3.100 2.169 2.048 2.254 . 0 0 "[ . 1 . 2]" 1
392 1 13 ALA H 1 54 ILE MD . . 3.960 3.619 2.607 3.976 0.016 19 0 "[ . 1 . 2]" 1
393 1 71 PRO HA 1 87 TYR H . . 3.900 3.547 2.820 3.918 0.018 18 0 "[ . 1 . 2]" 1
394 1 86 VAL HA 1 87 TYR H . . 3.170 2.260 2.140 2.499 . 0 0 "[ . 1 . 2]" 1
395 1 87 TYR H 1 87 TYR HB3 . . 3.660 2.904 2.512 3.160 . 0 0 "[ . 1 . 2]" 1
396 1 70 ILE MG 1 87 TYR H . . 4.100 2.954 2.429 3.532 . 0 0 "[ . 1 . 2]" 1
397 1 86 VAL MG2 1 87 TYR H . . 4.330 4.164 3.907 4.336 0.006 5 0 "[ . 1 . 2]" 1
398 1 105 ALA H 1 105 ALA MB . . 3.110 2.089 2.032 2.167 . 0 0 "[ . 1 . 2]" 1
399 1 88 ILE H 1 88 ILE MG . . 4.160 3.136 1.905 3.926 . 0 0 "[ . 1 . 2]" 1
400 1 36 LYS H 1 37 ALA H . . 3.550 2.662 2.495 2.833 . 0 0 "[ . 1 . 2]" 1
401 1 35 CYS H 1 36 LYS H . . 3.340 2.774 2.579 2.966 . 0 0 "[ . 1 . 2]" 1
402 1 8 ILE H 1 129 ILE HA . . 4.500 2.552 2.228 2.916 . 0 0 "[ . 1 . 2]" 1
403 1 9 THR MG 1 10 CYS H . . 4.480 2.515 2.397 2.714 . 0 0 "[ . 1 . 2]" 1
404 1 13 ALA MB 1 14 GLY H . . 3.920 3.598 3.552 3.684 . 0 0 "[ . 1 . 2]" 1
405 1 14 GLY H 1 105 ALA MB . . 4.230 3.774 2.981 4.246 0.016 16 0 "[ . 1 . 2]" 1
406 1 14 GLY H 1 15 VAL H . . 4.370 2.643 2.369 2.859 . 0 0 "[ . 1 . 2]" 1
407 1 13 ALA H 1 14 GLY H . . 4.250 2.782 2.623 4.204 . 0 0 "[ . 1 . 2]" 1
408 1 15 VAL H 1 15 VAL HB . . 3.190 2.588 2.503 2.791 . 0 0 "[ . 1 . 2]" 1
409 1 15 VAL H 1 51 ALA MB . . 4.500 4.261 3.578 4.535 0.035 11 0 "[ . 1 . 2]" 1
410 1 15 VAL H 1 15 VAL MG1 . . 4.030 3.812 3.786 3.899 . 0 0 "[ . 1 . 2]" 1
411 1 17 HIS HA 1 18 VAL H . . 3.250 2.235 2.150 2.355 . 0 0 "[ . 1 . 2]" 1
412 1 18 VAL H 1 99 TYR HA . . 4.220 3.207 2.525 3.638 . 0 0 "[ . 1 . 2]" 1
413 1 18 VAL H 1 18 VAL HB . . 3.700 2.602 2.500 2.757 . 0 0 "[ . 1 . 2]" 1
414 1 18 VAL H 1 98 THR MG . . 3.980 3.057 2.562 3.650 . 0 0 "[ . 1 . 2]" 1
415 1 18 VAL H 1 18 VAL MG2 . . 3.800 2.525 2.157 2.815 . 0 0 "[ . 1 . 2]" 1
416 1 4 ILE H 1 4 ILE HB . . 3.640 2.690 2.424 2.840 . 0 0 "[ . 1 . 2]" 1
417 1 4 ILE H 1 4 ILE HG13 . . 4.410 4.257 3.751 4.421 0.011 2 0 "[ . 1 . 2]" 1
418 1 4 ILE H 1 125 ILE HA . . 4.050 3.496 2.738 4.121 0.071 4 0 "[ . 1 . 2]" 1
419 1 3 GLN HA 1 4 ILE H . . 3.220 2.546 2.139 3.112 . 0 0 "[ . 1 . 2]" 1
420 1 127 ILE HB 1 128 THR H . . 4.400 2.979 2.100 4.178 . 0 0 "[ . 1 . 2]" 1
421 1 128 THR H 1 128 THR HB . . 4.120 3.345 2.773 3.948 . 0 0 "[ . 1 . 2]" 1
422 1 128 THR H 1 128 THR MG . . 4.300 3.425 1.957 4.024 . 0 0 "[ . 1 . 2]" 1
423 1 127 ILE MG 1 128 THR H . . 3.940 3.758 3.410 3.964 0.024 1 0 "[ . 1 . 2]" 1
424 1 5 ASP H 1 5 ASP HB3 . . 4.070 3.049 2.796 3.474 . 0 0 "[ . 1 . 2]" 1
425 1 102 ASN HA 1 103 ALA H . . 3.460 2.219 2.140 2.444 . 0 0 "[ . 1 . 2]" 1
426 1 103 ALA H 1 103 ALA MB . . 3.400 2.304 2.036 2.514 . 0 0 "[ . 1 . 2]" 1
427 1 77 SER H 1 79 CYS H . . 4.610 4.337 4.128 4.628 0.018 14 0 "[ . 1 . 2]" 1
428 1 30 GLU HB3 1 31 ALA H . . 4.360 3.355 2.904 3.904 . 0 0 "[ . 1 . 2]" 1
429 1 31 ALA H 1 31 ALA MB . . 3.390 2.201 2.127 2.237 . 0 0 "[ . 1 . 2]" 1
430 1 26 ILE MG 1 31 ALA H . . 4.020 3.171 2.762 3.494 . 0 0 "[ . 1 . 2]" 1
431 1 32 ALA H 1 32 ALA MB . . 3.130 2.182 2.036 2.233 . 0 0 "[ . 1 . 2]" 1
432 1 31 ALA H 1 32 ALA H . . 3.970 2.947 2.850 3.027 . 0 0 "[ . 1 . 2]" 1
433 1 70 ILE H 1 87 TYR H . . 4.560 3.437 2.522 4.098 . 0 0 "[ . 1 . 2]" 1
434 1 69 VAL HA 1 70 ILE H . . 3.480 2.505 2.349 2.685 . 0 0 "[ . 1 . 2]" 1
435 1 70 ILE H 1 70 ILE MG . . 3.840 2.371 2.104 2.623 . 0 0 "[ . 1 . 2]" 1
436 1 69 VAL HB 1 70 ILE H . . 3.590 2.219 1.945 2.523 . 0 0 "[ . 1 . 2]" 1
437 1 69 VAL MG2 1 70 ILE H . . 4.350 3.133 2.616 3.627 . 0 0 "[ . 1 . 2]" 1
438 1 70 ILE H 1 86 VAL HA . . 4.690 4.168 3.589 4.704 0.014 20 0 "[ . 1 . 2]" 1
439 1 31 ALA HA 1 34 LEU H . . 4.280 3.618 3.438 3.831 . 0 0 "[ . 1 . 2]" 1
440 1 33 ASP H 1 34 LEU H . . 3.610 2.775 2.675 2.889 . 0 0 "[ . 1 . 2]" 1
441 1 117 LEU H 1 117 LEU HB3 . . 3.690 3.117 2.211 3.677 . 0 0 "[ . 1 . 2]" 1
442 1 119 ASN HB3 1 120 ALA H . . 4.850 4.160 3.193 4.545 . 0 0 "[ . 1 . 2]" 1
443 1 120 ALA H 1 120 ALA MB . . 3.510 2.488 2.055 2.913 . 0 0 "[ . 1 . 2]" 1
444 1 121 PHE H 1 121 PHE HB3 . . 4.180 3.170 2.487 3.852 . 0 0 "[ . 1 . 2]" 1
445 1 121 PHE H 1 121 PHE QD . . 4.350 3.404 2.069 4.412 0.062 19 0 "[ . 1 . 2]" 1
446 1 120 ALA H 1 121 PHE H . . 4.050 3.358 2.246 4.339 0.289 14 0 "[ . 1 . 2]" 1
447 1 4 ILE MG 1 126 THR H . . 5.080 4.686 4.037 5.051 . 0 0 "[ . 1 . 2]" 1
448 1 125 ILE MD 1 126 THR H . . 5.500 5.118 3.483 5.517 0.017 17 0 "[ . 1 . 2]" 1
449 1 125 ILE HB 1 126 THR H . . 4.640 4.193 3.512 4.459 . 0 0 "[ . 1 . 2]" 1
450 1 126 THR H 1 126 THR HB . . 4.200 2.952 2.611 3.676 . 0 0 "[ . 1 . 2]" 1
451 1 125 ILE HA 1 126 THR H . . 3.170 2.183 2.139 2.345 . 0 0 "[ . 1 . 2]" 1
452 1 5 ASP HA 1 6 LEU H . . 3.280 2.187 2.138 2.341 . 0 0 "[ . 1 . 2]" 1
453 1 6 LEU H 1 6 LEU HG . . 4.810 4.049 2.202 4.714 . 0 0 "[ . 1 . 2]" 1
454 1 18 VAL HA 1 19 GLU H . . 3.160 2.156 2.142 2.211 . 0 0 "[ . 1 . 2]" 1
455 1 8 ILE HA 1 19 GLU H . . 4.540 3.468 3.135 3.719 . 0 0 "[ . 1 . 2]" 1
456 1 7 ASN H 1 19 GLU H . . 4.240 3.607 2.872 4.189 . 0 0 "[ . 1 . 2]" 1
457 1 103 ALA H 1 104 SER H . . 4.390 2.969 2.107 4.045 . 0 0 "[ . 1 . 2]" 1
458 1 5 ASP H 1 21 ASN H . . 4.410 3.323 2.809 3.681 . 0 0 "[ . 1 . 2]" 1
459 1 4 ILE H 1 5 ASP H . . 4.710 4.320 3.969 4.487 . 0 0 "[ . 1 . 2]" 1
460 1 4 ILE H 1 126 THR H . . 4.950 3.983 3.601 4.134 . 0 0 "[ . 1 . 2]" 1
461 1 63 PHE HA 1 69 VAL H . . 4.900 4.415 3.406 4.977 0.077 13 0 "[ . 1 . 2]" 1
462 1 69 VAL H 1 69 VAL MG2 . . 3.580 2.194 1.909 2.352 . 0 0 "[ . 1 . 2]" 1
463 1 68 VAL MG1 1 69 VAL H . . 4.080 2.990 2.252 3.495 . 0 0 "[ . 1 . 2]" 1
464 1 68 VAL HA 1 69 VAL H . . 3.280 2.176 2.144 2.264 . 0 0 "[ . 1 . 2]" 1
465 1 64 ILE H 1 64 ILE HG13 . . 4.300 2.924 2.337 3.375 . 0 0 "[ . 1 . 2]" 1
466 1 64 ILE H 1 64 ILE MG . . 3.770 2.762 2.125 3.255 . 0 0 "[ . 1 . 2]" 1
467 1 64 ILE H 1 64 ILE MD . . 4.440 3.917 3.665 4.128 . 0 0 "[ . 1 . 2]" 1
468 1 64 ILE H 1 68 VAL MG2 . . 4.900 3.988 3.192 4.917 0.017 12 0 "[ . 1 . 2]" 1
469 1 147 PRO HA 1 148 GLU H . . 3.340 2.471 2.152 3.432 0.092 18 0 "[ . 1 . 2]" 1
470 1 148 GLU H 1 149 ASP H . . 3.760 3.595 2.734 3.759 . 0 0 "[ . 1 . 2]" 1
471 1 125 ILE H 1 125 ILE HB . . 3.960 2.789 2.480 2.935 . 0 0 "[ . 1 . 2]" 1
472 1 109 GLU H 1 109 GLU HB3 . . 3.720 2.740 2.367 3.114 . 0 0 "[ . 1 . 2]" 1
473 1 12 PHE H 1 15 VAL H . . 3.940 3.684 2.775 3.961 0.021 6 0 "[ . 1 . 2]" 1
474 1 6 LEU H 1 7 ASN H . . 4.660 4.239 3.684 4.548 . 0 0 "[ . 1 . 2]" 1
475 1 6 LEU H 1 128 THR H . . 4.870 3.807 3.293 4.047 . 0 0 "[ . 1 . 2]" 1
476 1 6 LEU H 1 127 ILE HA . . 4.300 2.239 1.941 2.859 . 0 0 "[ . 1 . 2]" 1
477 1 38 PHE H 1 38 PHE HB3 . . 3.750 3.146 2.656 3.833 0.083 10 0 "[ . 1 . 2]" 1
478 1 78 ILE MG 1 79 CYS H . . 4.620 3.827 2.151 4.330 . 0 0 "[ . 1 . 2]" 1
479 1 78 ILE HG13 1 79 CYS H . . 5.050 4.049 2.285 5.084 0.034 16 0 "[ . 1 . 2]" 1
480 1 77 SER HA 1 79 CYS H . . 4.240 3.704 3.441 3.957 . 0 0 "[ . 1 . 2]" 1
481 1 18 VAL MG1 1 19 GLU H . . 3.660 2.648 2.043 3.140 . 0 0 "[ . 1 . 2]" 1
482 1 7 ASN H 1 20 LYS HA . . 4.760 3.358 2.730 4.111 . 0 0 "[ . 1 . 2]" 1
483 1 6 LEU HB3 1 7 ASN H . . 4.750 3.438 2.095 4.330 . 0 0 "[ . 1 . 2]" 1
484 1 7 ASN H 1 19 GLU HB3 . . 5.150 3.618 2.815 4.534 . 0 0 "[ . 1 . 2]" 1
485 1 13 ALA H 1 108 GLU H . . 4.400 3.919 3.064 4.434 0.034 5 0 "[ . 1 . 2]" 1
486 1 17 HIS HD2 1 18 VAL H . . 4.750 3.582 2.290 4.752 0.002 7 0 "[ . 1 . 2]" 1
487 1 20 LYS HG3 1 21 ASN H . . 4.290 3.087 1.980 4.272 . 0 0 "[ . 1 . 2]" 1
488 1 32 ALA HA 1 35 CYS H . . 3.880 3.695 3.533 3.848 . 0 0 "[ . 1 . 2]" 1
489 1 36 LYS HA 1 38 PHE H . . 4.320 3.742 3.424 4.249 . 0 0 "[ . 1 . 2]" 1
490 1 40 SER H 1 41 THR H . . 4.800 4.423 4.374 4.541 . 0 0 "[ . 1 . 2]" 1
491 1 44 THR H 1 47 GLN H . . 4.400 3.571 3.074 3.998 . 0 0 "[ . 1 . 2]" 1
492 1 46 ALA H 1 47 GLN H . . 3.550 2.554 2.168 2.940 . 0 0 "[ . 1 . 2]" 1
493 1 45 MET H 1 46 ALA H . . 3.810 2.631 2.339 3.016 . 0 0 "[ . 1 . 2]" 1
494 1 46 ALA H 1 46 ALA MB . . 2.940 2.167 2.028 2.301 . 0 0 "[ . 1 . 2]" 1
495 1 49 GLU H 1 51 ALA H . . 4.980 4.617 4.181 4.984 0.004 14 0 "[ . 1 . 2]" 1
496 1 47 GLN H 1 49 GLU H . . 4.870 4.621 3.882 4.845 . 0 0 "[ . 1 . 2]" 1
497 1 49 GLU H 1 86 VAL MG2 . . 4.800 3.776 2.599 4.042 . 0 0 "[ . 1 . 2]" 1
498 1 56 PHE H 1 73 ILE MD . . 4.450 2.418 1.833 3.502 . 0 0 "[ . 1 . 2]" 1
499 1 59 CYS H 1 60 ARG H . . 4.910 2.737 2.418 3.000 . 0 0 "[ . 1 . 2]" 1
500 1 58 THR MG 1 59 CYS H . . 4.850 3.847 3.192 4.220 . 0 0 "[ . 1 . 2]" 1
501 1 65 GLU H 1 65 GLU HB3 . . 3.820 2.600 2.480 2.829 . 0 0 "[ . 1 . 2]" 1
502 1 64 ILE HB 1 65 GLU H . . 3.540 1.910 1.823 2.152 . 0 0 "[ . 1 . 2]" 1
503 1 64 ILE MG 1 65 GLU H . . 4.660 3.555 3.426 3.605 . 0 0 "[ . 1 . 2]" 1
504 1 64 ILE MD 1 65 GLU H . . 4.220 3.242 2.562 3.779 . 0 0 "[ . 1 . 2]" 1
505 1 70 ILE H 1 87 TYR QD . . 5.430 5.231 3.974 5.443 0.013 3 0 "[ . 1 . 2]" 1
506 1 82 ASN H 1 83 ASN H . . 3.990 2.869 2.683 3.124 . 0 0 "[ . 1 . 2]" 1
507 1 83 ASN H 1 83 ASN QD . . 3.990 3.603 2.173 4.023 0.033 14 0 "[ . 1 . 2]" 1
508 1 83 ASN H 1 84 THR H . . 4.820 4.561 4.092 4.646 . 0 0 "[ . 1 . 2]" 1
509 1 81 ALA MB 1 83 ASN H . . 4.490 3.817 3.215 4.496 0.006 2 0 "[ . 1 . 2]" 1
510 1 83 ASN QD 1 84 THR H . . 4.880 4.186 2.418 4.891 0.011 9 0 "[ . 1 . 2]" 1
511 1 84 THR H 1 85 GLY H . . 4.740 4.421 4.378 4.510 . 0 0 "[ . 1 . 2]" 1
512 1 86 VAL H 1 86 VAL HB . . 3.270 2.616 2.522 2.732 . 0 0 "[ . 1 . 2]" 1
513 1 86 VAL H 1 86 VAL MG2 . . 3.920 2.666 2.378 2.858 . 0 0 "[ . 1 . 2]" 1
514 1 86 VAL H 1 86 VAL MG1 . . 3.920 3.841 3.786 3.892 . 0 0 "[ . 1 . 2]" 1
515 1 85 GLY HA2 1 86 VAL H . . 3.320 2.964 2.682 3.059 . 0 0 "[ . 1 . 2]" 1
516 1 87 TYR H 1 88 ILE H . . 4.780 4.514 4.289 4.637 . 0 0 "[ . 1 . 2]" 1
517 1 68 VAL MG1 1 89 LEU H . . 4.440 3.401 2.057 4.440 0.000 10 0 "[ . 1 . 2]" 1
518 1 89 LEU H 1 89 LEU HB3 . . 3.880 3.314 2.511 3.696 . 0 0 "[ . 1 . 2]" 1
519 1 18 VAL HB 1 98 THR H . . 4.730 3.969 3.120 4.492 . 0 0 "[ . 1 . 2]" 1
520 1 98 THR HB 1 99 TYR H . . 4.850 4.098 3.962 4.180 . 0 0 "[ . 1 . 2]" 1
521 1 17 HIS HA 1 100 CYS H . . 4.570 3.313 2.924 3.726 . 0 0 "[ . 1 . 2]" 1
522 1 100 CYS H 1 101 PHE H . . 4.710 4.428 4.350 4.543 . 0 0 "[ . 1 . 2]" 1
523 1 100 CYS HB3 1 101 PHE H . . 3.750 2.695 2.219 2.965 . 0 0 "[ . 1 . 2]" 1
524 1 101 PHE H 1 101 PHE HB3 . . 3.800 2.562 2.463 2.701 . 0 0 "[ . 1 . 2]" 1
525 1 40 SER HB3 1 101 PHE H . . 4.700 3.584 2.610 4.706 0.006 7 0 "[ . 1 . 2]" 1
526 1 100 CYS HA 1 101 PHE H . . 3.270 2.307 2.213 2.517 . 0 0 "[ . 1 . 2]" 1
527 1 42 LEU HA 1 101 PHE H . . 4.480 3.445 2.660 3.932 . 0 0 "[ . 1 . 2]" 1
528 1 43 PRO HD3 1 101 PHE H . . 4.450 3.128 2.142 3.507 . 0 0 "[ . 1 . 2]" 1
529 1 14 GLY HA2 1 102 ASN H . . 4.520 3.408 3.122 4.038 . 0 0 "[ . 1 . 2]" 1
530 1 14 GLY HA3 1 102 ASN H . . 4.460 3.323 2.801 4.261 . 0 0 "[ . 1 . 2]" 1
531 1 16 PHE QE 1 102 ASN H . . 4.700 3.123 2.643 3.400 . 0 0 "[ . 1 . 2]" 1
532 1 104 SER H 1 105 ALA H . . 3.350 2.447 1.995 3.065 . 0 0 "[ . 1 . 2]" 1
533 1 114 VAL QG 1 115 THR H . . 4.600 3.266 1.997 3.753 . 0 0 "[ . 1 . 2]" 1
534 1 145 THR H 1 145 THR MG . . 4.250 3.239 2.044 4.048 . 0 0 "[ . 1 . 2]" 1
535 1 119 ASN H 1 120 ALA H . . 4.520 2.387 1.876 3.885 . 0 0 "[ . 1 . 2]" 1
536 1 120 ALA MB 1 121 PHE H . . 4.000 3.661 3.437 3.720 . 0 0 "[ . 1 . 2]" 1
537 1 122 ASP H 1 123 GLY H . . 4.410 3.466 1.907 4.419 0.009 12 0 "[ . 1 . 2]" 1
538 1 124 PRO HA 1 125 ILE H . . 3.270 2.784 2.252 3.157 . 0 0 "[ . 1 . 2]" 1
539 1 126 THR H 1 126 THR MG . . 4.420 3.733 2.948 3.967 . 0 0 "[ . 1 . 2]" 1
540 1 126 THR MG 1 127 ILE H . . 4.020 2.380 1.922 3.393 . 0 0 "[ . 1 . 2]" 1
541 1 127 ILE H 1 127 ILE HB . . 4.070 3.659 2.546 3.938 . 0 0 "[ . 1 . 2]" 1
542 1 131 ASN H 1 134 GLY H . . 5.120 3.977 2.853 5.133 0.013 13 0 "[ . 1 . 2]" 1
543 1 130 VAL HB 1 134 GLY H . . 5.500 4.632 3.554 5.507 0.007 19 0 "[ . 1 . 2]" 1
544 1 135 THR MG 1 136 ARG H . . 4.300 3.752 2.575 4.336 0.036 16 0 "[ . 1 . 2]" 1
545 1 55 GLY H 1 73 ILE MD . . 3.760 3.121 2.643 3.631 . 0 0 "[ . 1 . 2]" 1
546 1 51 ALA MB 1 55 GLY H . . 5.050 4.222 3.496 5.083 0.033 3 0 "[ . 1 . 2]" 1
547 1 54 ILE HG13 1 55 GLY H . . 5.320 4.101 2.401 4.391 . 0 0 "[ . 1 . 2]" 1
548 1 52 LEU HA 1 55 GLY H . . 4.250 3.811 3.512 4.254 0.004 19 0 "[ . 1 . 2]" 1
549 1 7 ASN HA 1 128 THR H . . 4.410 2.472 1.945 2.972 . 0 0 "[ . 1 . 2]" 1
550 1 42 LEU H 1 42 LEU HB3 . . 3.750 3.586 3.474 3.670 . 0 0 "[ . 1 . 2]" 1
551 1 42 LEU H 1 42 LEU HG . . 3.530 2.545 1.982 3.489 . 0 0 "[ . 1 . 2]" 1
552 1 41 THR HA 1 42 LEU H . . 3.220 2.477 2.247 2.708 . 0 0 "[ . 1 . 2]" 1
553 1 41 THR HB 1 42 LEU H . . 3.390 2.365 1.945 2.814 . 0 0 "[ . 1 . 2]" 1
554 1 26 ILE H 1 26 ILE MG . . 3.900 3.852 3.799 3.958 0.058 9 0 "[ . 1 . 2]" 1
555 1 49 GLU HA 1 52 LEU H . . 4.140 3.564 3.201 3.783 . 0 0 "[ . 1 . 2]" 1
556 1 52 LEU HG 1 53 SER H . . 4.100 3.894 3.240 4.374 0.274 20 0 "[ . 1 . 2]" 1
557 1 53 SER H 1 54 ILE HG13 . . 4.420 3.807 3.434 4.437 0.017 10 0 "[ . 1 . 2]" 1
558 1 56 PHE H 1 56 PHE QD . . 4.500 4.286 4.078 4.486 . 0 0 "[ . 1 . 2]" 1
559 1 51 ALA MB 1 56 PHE H . . 4.660 4.114 3.488 4.724 0.064 3 0 "[ . 1 . 2]" 1
560 1 46 ALA MB 1 47 GLN H . . 3.370 2.608 2.226 2.831 . 0 0 "[ . 1 . 2]" 1
561 1 68 VAL H 1 68 VAL HB . . 4.040 2.778 2.504 2.923 . 0 0 "[ . 1 . 2]" 1
562 1 67 HIS HB3 1 68 VAL H . . 3.850 2.338 1.992 4.154 0.304 13 0 "[ . 1 . 2]" 1
563 1 108 GLU HB3 1 109 GLU H . . 3.720 2.795 1.951 3.728 0.008 8 0 "[ . 1 . 2]" 1
564 1 108 GLU H 1 108 GLU HB3 . . 3.960 3.535 2.903 3.852 . 0 0 "[ . 1 . 2]" 1
565 1 108 GLU HA 1 109 GLU H . . 3.240 2.580 2.337 2.697 . 0 0 "[ . 1 . 2]" 1
566 1 99 TYR H 1 99 TYR QD . . 4.400 3.415 3.229 3.588 . 0 0 "[ . 1 . 2]" 1
567 1 27 SER HB3 1 28 ARG H . . 4.240 3.431 2.542 3.985 . 0 0 "[ . 1 . 2]" 1
568 1 26 ILE MG 1 27 SER H . . 3.820 2.226 1.880 2.778 . 0 0 "[ . 1 . 2]" 1
569 1 27 SER H 1 28 ARG H . . 4.780 4.524 4.365 4.600 . 0 0 "[ . 1 . 2]" 1
570 1 27 SER H 1 30 GLU H . . 4.630 3.789 3.487 4.144 . 0 0 "[ . 1 . 2]" 1
571 1 27 SER H 1 31 ALA H . . 5.140 4.265 3.636 4.651 . 0 0 "[ . 1 . 2]" 1
572 1 121 PHE QD 1 122 ASP H . . 4.750 3.714 2.412 4.761 0.011 7 0 "[ . 1 . 2]" 1
573 1 72 ARG H 1 86 VAL HA . . 4.260 3.392 2.770 3.965 . 0 0 "[ . 1 . 2]" 1
574 1 139 GLN H 1 139 GLN HB3 . . 4.150 3.121 2.544 3.774 . 0 0 "[ . 1 . 2]" 1
575 1 63 PHE HZ 1 96 TYR H . . 4.260 3.728 2.402 4.262 0.002 16 0 "[ . 1 . 2]" 1
576 1 15 VAL MG1 1 100 CYS H . . 4.610 3.664 3.318 4.194 . 0 0 "[ . 1 . 2]" 1
577 1 61 TYR QD 1 62 GLY H . . 4.320 3.849 2.366 4.288 . 0 0 "[ . 1 . 2]" 1
578 1 150 ILE H 1 150 ILE HG13 . . 4.950 4.154 2.435 4.952 0.002 4 0 "[ . 1 . 2]" 1
579 1 150 ILE H 1 150 ILE MG . . 4.740 2.399 1.916 3.747 . 0 0 "[ . 1 . 2]" 1
580 1 150 ILE H 1 150 ILE HB . . 3.440 3.157 2.407 3.660 0.220 20 0 "[ . 1 . 2]" 1
581 1 151 TYR H 1 151 TYR QD . . 4.320 3.642 2.771 4.324 0.004 20 0 "[ . 1 . 2]" 1
582 1 156 THR H 1 156 THR MG . . 3.370 2.312 1.946 3.178 . 0 0 "[ . 1 . 2]" 1
583 1 81 ALA MB 1 83 ASN QD . . 4.120 3.090 1.824 4.116 . 0 0 "[ . 1 . 2]" 1
584 1 80 ALA MB 1 83 ASN QD . . 4.150 3.330 1.907 4.166 0.016 15 0 "[ . 1 . 2]" 1
585 1 33 ASP H 1 33 ASP HB3 . . 3.670 2.635 2.333 2.950 . 0 0 "[ . 1 . 2]" 1
586 1 32 ALA MB 1 33 ASP H . . 3.760 2.300 2.125 2.623 . 0 0 "[ . 1 . 2]" 1
587 1 32 ALA H 1 33 ASP H . . 3.660 2.956 2.817 3.051 . 0 0 "[ . 1 . 2]" 1
588 1 33 ASP HB3 1 34 LEU H . . 4.300 2.625 2.403 2.902 . 0 0 "[ . 1 . 2]" 1
589 1 49 GLU H 1 86 VAL MG1 . . 4.800 3.935 3.384 4.707 . 0 0 "[ . 1 . 2]" 1
590 1 4 ILE H 1 125 ILE MG . . 4.730 4.117 2.943 4.743 0.013 18 0 "[ . 1 . 2]" 1
591 1 129 ILE H 1 129 ILE HB . . 3.830 2.964 2.530 3.762 . 0 0 "[ . 1 . 2]" 1
592 1 12 PHE HA 1 13 ALA H . . 3.300 2.193 2.139 2.596 . 0 0 "[ . 1 . 2]" 1
593 1 15 VAL H 1 15 VAL MG2 . . 3.220 2.334 2.178 2.949 . 0 0 "[ . 1 . 2]" 1
594 1 150 ILE H 1 151 TYR H . . 4.660 4.462 4.334 4.556 . 0 0 "[ . 1 . 2]" 1
595 1 50 LYS H 1 51 ALA H . . 3.320 2.700 2.532 2.903 . 0 0 "[ . 1 . 2]" 1
596 1 48 MET HA 1 51 ALA H . . 3.980 3.728 3.357 4.032 0.052 14 0 "[ . 1 . 2]" 1
597 1 72 ARG H 1 85 GLY H . . 4.450 3.851 2.611 4.458 0.008 3 0 "[ . 1 . 2]" 1
598 1 7 ASN H 1 8 ILE H . . 5.210 4.482 4.189 4.608 . 0 0 "[ . 1 . 2]" 1
599 1 8 ILE H 1 128 THR H . . 5.410 3.863 3.612 4.099 . 0 0 "[ . 1 . 2]" 1
600 1 52 LEU HA 1 56 PHE H . . 3.920 2.960 2.528 3.402 . 0 0 "[ . 1 . 2]" 1
601 1 15 VAL H 1 101 PHE QD . . 4.560 3.350 2.971 4.667 0.107 11 0 "[ . 1 . 2]" 1
602 1 26 ILE H 1 26 ILE HG13 . . 4.420 2.976 2.289 3.659 . 0 0 "[ . 1 . 2]" 1
603 1 26 ILE HA 1 27 SER H . . 3.100 2.219 2.141 2.334 . 0 0 "[ . 1 . 2]" 1
604 1 116 ASP HB3 1 117 LEU H . . 4.280 2.927 1.988 3.990 . 0 0 "[ . 1 . 2]" 1
605 1 85 GLY HA3 1 86 VAL H . . 3.140 2.245 2.185 2.450 . 0 0 "[ . 1 . 2]" 1
606 1 88 ILE H 1 88 ILE MD . . 4.290 4.058 3.380 4.472 0.182 1 0 "[ . 1 . 2]" 1
607 1 49 GLU H 1 50 LYS H . . 3.600 2.651 2.325 2.773 . 0 0 "[ . 1 . 2]" 1
608 1 26 ILE MG 1 30 GLU H . . 4.520 3.969 3.635 4.378 . 0 0 "[ . 1 . 2]" 1
609 1 29 THR MG 1 30 GLU H . . 4.760 3.606 1.964 4.266 . 0 0 "[ . 1 . 2]" 1
610 1 61 TYR H 1 61 TYR QD . . 4.460 2.864 2.339 4.053 . 0 0 "[ . 1 . 2]" 1
611 1 101 PHE H 1 101 PHE QD . . 4.320 4.204 4.044 4.324 0.004 16 0 "[ . 1 . 2]" 1
612 1 4 ILE MG 1 5 ASP H . . 3.970 2.482 2.182 3.078 . 0 0 "[ . 1 . 2]" 1
613 1 4 ILE HA 1 5 ASP H . . 2.980 2.181 2.139 2.246 . 0 0 "[ . 1 . 2]" 1
614 1 52 LEU MD1 1 85 GLY H . . 4.560 3.888 3.229 4.419 . 0 0 "[ . 1 . 2]" 1
615 1 84 THR MG 1 85 GLY H . . 4.740 3.208 1.912 4.237 . 0 0 "[ . 1 . 2]" 1
616 1 16 PHE H 1 16 PHE QD . . 3.660 2.721 2.160 3.300 . 0 0 "[ . 1 . 2]" 1
617 1 40 SER HB3 1 41 THR H . . 3.650 2.503 1.946 3.501 . 0 0 "[ . 1 . 2]" 1
618 1 37 ALA H 1 37 ALA MB . . 3.030 2.180 2.032 2.246 . 0 0 "[ . 1 . 2]" 1
619 1 13 ALA MB 1 15 VAL H . . 4.010 3.364 3.156 4.053 0.043 11 0 "[ . 1 . 2]" 1
620 1 77 SER H 1 78 ILE H . . 3.680 2.625 2.526 2.746 . 0 0 "[ . 1 . 2]" 1
621 1 68 VAL H 1 68 VAL MG2 . . 3.720 2.727 1.935 3.087 . 0 0 "[ . 1 . 2]" 1
622 1 19 GLU H 1 19 GLU HB3 . . 3.910 2.806 2.606 2.993 . 0 0 "[ . 1 . 2]" 1
623 1 96 TYR H 1 96 TYR QD . . 4.520 3.864 3.157 4.526 0.006 9 0 "[ . 1 . 2]" 1
624 1 96 TYR H 1 97 ASP H . . 5.070 4.102 2.630 4.382 . 0 0 "[ . 1 . 2]" 1
625 1 98 THR MG 1 100 CYS H . . 5.010 4.883 4.075 5.023 0.013 13 0 "[ . 1 . 2]" 1
626 1 13 ALA H 1 107 PRO HA . . 4.920 4.775 4.361 4.945 0.025 20 0 "[ . 1 . 2]" 1
627 1 86 VAL MG1 1 87 TYR H . . 4.330 3.046 2.188 3.778 . 0 0 "[ . 1 . 2]" 1
628 1 30 GLU H 1 31 ALA MB . . 4.640 3.961 3.806 4.131 . 0 0 "[ . 1 . 2]" 1
629 1 83 ASN HB3 1 84 THR H . . 4.040 2.615 2.035 4.085 0.045 19 0 "[ . 1 . 2]" 1
630 1 62 GLY H 1 69 VAL MG2 . . 4.620 4.068 3.575 4.622 0.002 7 0 "[ . 1 . 2]" 1
631 1 58 THR HB 1 60 ARG H . . 4.250 3.591 2.287 4.284 0.034 13 0 "[ . 1 . 2]" 1
632 1 40 SER H 1 40 SER HB3 . . 4.070 3.783 2.788 4.002 . 0 0 "[ . 1 . 2]" 1
633 1 76 ASN H 1 82 ASN HA . . 4.410 3.821 1.990 4.484 0.074 6 0 "[ . 1 . 2]" 1
634 1 58 THR MG 1 60 ARG H . . 4.750 3.373 1.961 4.268 . 0 0 "[ . 1 . 2]" 1
635 1 62 GLY H 1 69 VAL MG1 . . 5.500 5.551 5.511 5.643 0.143 12 0 "[ . 1 . 2]" 1
636 1 26 ILE H 1 96 TYR H . . 4.220 2.738 2.122 3.226 . 0 0 "[ . 1 . 2]" 1
637 1 46 ALA HA 1 49 GLU H . . 3.700 3.599 3.375 3.725 0.025 14 0 "[ . 1 . 2]" 1
638 1 49 GLU H 1 49 GLU HB3 . . 3.650 3.582 3.577 3.605 . 0 0 "[ . 1 . 2]" 1
639 1 98 THR MG 1 99 TYR H . . 3.890 3.750 3.470 3.879 . 0 0 "[ . 1 . 2]" 1
640 1 4 ILE H 1 4 ILE MG . . 4.020 3.848 3.693 3.920 . 0 0 "[ . 1 . 2]" 1
641 1 4 ILE H 1 4 ILE MD . . 4.120 3.868 3.516 4.140 0.020 9 0 "[ . 1 . 2]" 1
642 1 79 CYS H 1 82 ASN HA . . 4.460 3.864 3.482 4.470 0.010 11 0 "[ . 1 . 2]" 1
643 1 8 ILE MG 1 19 GLU H . . 4.870 4.263 2.151 4.895 0.025 4 0 "[ . 1 . 2]" 1
644 1 8 ILE MD 1 19 GLU H . . 4.990 4.245 2.869 5.080 0.090 20 0 "[ . 1 . 2]" 1
645 1 18 VAL MG2 1 19 GLU H . . 5.350 4.101 4.009 4.244 . 0 0 "[ . 1 . 2]" 1
646 1 149 ASP HA 1 150 ILE H . . 3.410 2.410 2.158 2.636 . 0 0 "[ . 1 . 2]" 1
647 1 18 VAL H 1 18 VAL MG1 . . 4.100 3.829 3.786 3.904 . 0 0 "[ . 1 . 2]" 1
648 1 113 SER H 1 114 VAL QG . . 4.460 3.937 3.122 4.411 . 0 0 "[ . 1 . 2]" 1
649 1 121 PHE HB3 1 122 ASP H . . 4.630 3.313 2.028 4.189 . 0 0 "[ . 1 . 2]" 1
650 1 52 LEU MD2 1 72 ARG H . . 3.750 3.747 3.705 3.826 0.076 20 0 "[ . 1 . 2]" 1
651 1 38 PHE QD 1 117 LEU H . . 4.540 4.058 3.077 4.560 0.020 3 0 "[ . 1 . 2]" 1
652 1 69 VAL HB 1 87 TYR H . . 5.500 4.754 3.886 5.507 0.007 5 0 "[ . 1 . 2]" 1
653 1 127 ILE H 1 127 ILE MD . . 4.200 3.879 3.298 4.436 0.236 18 0 "[ . 1 . 2]" 1
654 1 124 PRO HB3 1 125 ILE H . . 4.540 4.359 3.157 4.604 0.064 11 0 "[ . 1 . 2]" 1
655 1 8 ILE MG 1 9 THR H . . 4.140 2.846 2.046 3.694 . 0 0 "[ . 1 . 2]" 1
656 1 113 SER HA 1 115 THR H . . 4.270 3.840 3.185 4.301 0.031 6 0 "[ . 1 . 2]" 1
657 1 143 TYR H 1 143 TYR QD . . 4.400 3.226 2.313 4.348 . 0 0 "[ . 1 . 2]" 1
658 1 43 PRO HB3 1 44 THR H . . 4.030 3.389 3.184 3.749 . 0 0 "[ . 1 . 2]" 1
659 1 9 THR H 1 16 PHE QD . . 4.960 4.298 3.524 4.965 0.005 11 0 "[ . 1 . 2]" 1
660 1 115 THR H 1 115 THR MG . . 4.440 2.525 1.911 3.477 . 0 0 "[ . 1 . 2]" 1
661 1 16 PHE H 1 101 PHE HA . . 4.460 3.477 3.059 3.722 . 0 0 "[ . 1 . 2]" 1
662 1 15 VAL HA 1 102 ASN H . . 4.020 3.608 3.141 3.939 . 0 0 "[ . 1 . 2]" 1
663 1 16 PHE HZ 1 102 ASN H . . 5.500 5.369 4.898 5.512 0.012 13 0 "[ . 1 . 2]" 1
664 1 5 ASP H 1 6 LEU H . . 5.100 4.413 4.236 4.546 . 0 0 "[ . 1 . 2]" 1
665 1 6 LEU H 1 126 THR H . . 5.440 4.405 3.675 4.881 . 0 0 "[ . 1 . 2]" 1
666 1 33 ASP HA 1 36 LYS H . . 3.810 3.635 3.299 3.818 0.008 15 0 "[ . 1 . 2]" 1
667 1 138 VAL H 1 139 GLN H . . 4.560 3.915 1.897 4.573 0.013 11 0 "[ . 1 . 2]" 1
668 1 84 THR H 1 85 GLY HA3 . . 5.220 4.936 4.761 5.258 0.038 19 0 "[ . 1 . 2]" 1
669 1 63 PHE QE 1 96 TYR H . . 3.870 2.812 2.280 3.414 . 0 0 "[ . 1 . 2]" 1
670 1 116 ASP HA 1 117 LEU H . . 3.080 2.521 2.160 2.737 . 0 0 "[ . 1 . 2]" 1
671 1 80 ALA MB 1 83 ASN H . . 4.050 3.399 2.582 4.053 0.003 20 0 "[ . 1 . 2]" 1
672 1 84 THR H 1 84 THR MG . . 3.960 3.228 2.029 3.981 0.021 6 0 "[ . 1 . 2]" 1
673 1 104 SER H 1 105 ALA MB . . 4.730 3.947 3.543 4.661 . 0 0 "[ . 1 . 2]" 1
674 1 117 LEU H 1 127 ILE MD . . 4.940 4.644 4.263 4.705 . 0 0 "[ . 1 . 2]" 1
675 1 4 ILE HA 1 21 ASN QD . . 4.050 3.625 2.103 4.114 0.064 5 0 "[ . 1 . 2]" 1
676 1 6 LEU H 1 6 LEU QD . . 4.150 2.998 2.239 3.854 . 0 0 "[ . 1 . 2]" 1
677 1 6 LEU HA 1 6 LEU QD . . 3.340 2.223 1.890 3.054 . 0 0 "[ . 1 . 2]" 1
678 1 6 LEU QD 1 7 ASN H . . 4.540 3.434 2.330 4.199 . 0 0 "[ . 1 . 2]" 1
679 1 6 LEU QD 1 20 LYS HA . . 3.380 2.491 1.790 3.380 0.000 3 0 "[ . 1 . 2]" 1
680 1 6 LEU QD 1 21 ASN H . . 4.080 3.734 3.051 4.083 0.003 5 0 "[ . 1 . 2]" 1
681 1 7 ASN H 1 7 ASN QD . . 4.780 3.689 1.883 4.743 . 0 0 "[ . 1 . 2]" 1
682 1 9 THR HA 1 130 VAL QG . . 4.240 1.927 1.742 2.620 . 0 0 "[ . 1 . 2]" 1
683 1 9 THR HB 1 130 VAL QG . . 4.460 3.596 3.187 4.481 0.021 11 0 "[ . 1 . 2]" 1
684 1 31 ALA MB 1 42 LEU QD . . 3.330 2.255 1.825 3.125 . 0 0 "[ . 1 . 2]" 1
685 1 32 ALA H 1 42 LEU QD . . 4.160 2.994 2.532 3.478 . 0 0 "[ . 1 . 2]" 1
686 1 38 PHE QD 1 117 LEU QD . . 4.570 3.480 2.423 4.595 0.025 4 0 "[ . 1 . 2]" 1
687 1 42 LEU H 1 42 LEU QD . . 3.960 3.100 2.490 3.666 . 0 0 "[ . 1 . 2]" 1
688 1 42 LEU HA 1 42 LEU QD . . 3.500 2.370 1.949 2.886 . 0 0 "[ . 1 . 2]" 1
689 1 42 LEU QD 1 43 PRO HD3 . . 3.990 3.469 2.956 4.005 0.015 8 0 "[ . 1 . 2]" 1
690 1 42 LEU QD 1 64 ILE HA . . 4.510 2.924 2.153 3.360 . 0 0 "[ . 1 . 2]" 1
691 1 42 LEU QD 1 65 GLU H . . 4.460 3.630 2.962 4.046 . 0 0 "[ . 1 . 2]" 1
692 1 42 LEU QD 1 65 GLU HA . . 3.640 2.389 2.004 3.146 . 0 0 "[ . 1 . 2]" 1
693 1 42 LEU QD 1 100 CYS HA . . 4.170 3.759 3.419 4.179 0.009 12 0 "[ . 1 . 2]" 1
694 1 47 GLN HB3 1 47 GLN QE . . 4.510 3.393 1.942 4.100 . 0 0 "[ . 1 . 2]" 1
695 1 48 MET HB3 1 86 VAL QG . . 4.580 3.258 1.938 4.167 . 0 0 "[ . 1 . 2]" 1
696 1 49 GLU H 1 86 VAL QG . . 3.970 3.407 2.552 3.809 . 0 0 "[ . 1 . 2]" 1
697 1 70 ILE H 1 86 VAL QG . . 4.500 2.893 2.125 4.087 . 0 0 "[ . 1 . 2]" 1
698 1 71 PRO HA 1 86 VAL QG . . 3.560 2.603 2.026 3.431 . 0 0 "[ . 1 . 2]" 1
699 1 86 VAL H 1 86 VAL QG . . 3.050 2.618 2.354 2.784 . 0 0 "[ . 1 . 2]" 1
700 1 86 VAL QG 1 87 TYR H . . 3.640 2.948 2.177 3.556 . 0 0 "[ . 1 . 2]" 1
701 1 86 VAL QG 1 88 ILE HA . . 5.210 4.422 3.981 4.812 . 0 0 "[ . 1 . 2]" 1
702 1 87 TYR QD 1 89 LEU QD . . 4.320 3.170 1.978 4.214 . 0 0 "[ . 1 . 2]" 1
703 1 87 TYR QE 1 89 LEU QD . . 4.190 2.630 1.944 3.932 . 0 0 "[ . 1 . 2]" 1
704 1 88 ILE HA 1 89 LEU QD . . 5.440 4.618 3.026 5.217 . 0 0 "[ . 1 . 2]" 1
705 1 89 LEU H 1 89 LEU QD . . 5.070 3.633 2.731 4.108 . 0 0 "[ . 1 . 2]" 1
706 1 89 LEU HA 1 89 LEU QD . . 3.470 2.174 1.900 2.879 . 0 0 "[ . 1 . 2]" 1
707 1 117 LEU H 1 117 LEU QD . . 4.050 2.677 1.896 4.063 0.013 18 0 "[ . 1 . 2]" 1
708 1 117 LEU HA 1 117 LEU QD . . 3.770 3.194 2.900 3.408 . 0 0 "[ . 1 . 2]" 1
709 1 130 VAL H 1 130 VAL QG . . 4.180 1.970 1.843 2.405 . 0 0 "[ . 1 . 2]" 1
710 1 130 VAL HB 1 134 GLY QA . . 4.930 3.314 1.985 4.402 . 0 0 "[ . 1 . 2]" 1
711 1 130 VAL QG 1 131 ASN H . . 4.060 2.960 2.119 3.641 . 0 0 "[ . 1 . 2]" 1
712 1 130 VAL QG 1 134 GLY H . . 5.300 3.785 2.370 5.069 . 0 0 "[ . 1 . 2]" 1
713 1 130 VAL QG 1 134 GLY QA . . 3.380 2.655 1.792 3.431 0.051 6 0 "[ . 1 . 2]" 1
714 1 130 VAL QG 1 137 TYR H . . 4.550 3.251 1.912 4.399 . 0 0 "[ . 1 . 2]" 1
715 1 130 VAL QG 1 137 TYR HA . . 5.140 4.181 2.691 5.167 0.027 15 0 "[ . 1 . 2]" 1
716 1 131 ASN H 1 134 GLY QA . . 5.140 3.817 1.959 5.108 . 0 0 "[ . 1 . 2]" 1
717 1 137 TYR QE 1 138 VAL QG . . 5.440 4.925 2.788 5.459 0.019 2 0 "[ . 1 . 2]" 1
718 1 138 VAL H 1 138 VAL QG . . 3.800 2.220 1.924 2.790 . 0 0 "[ . 1 . 2]" 1
719 1 138 VAL QG 1 139 GLN H . . 4.020 2.665 1.867 3.460 . 0 0 "[ . 1 . 2]" 1
720 1 138 VAL QG 1 140 LYS H . . 4.870 3.550 1.918 4.880 0.010 15 0 "[ . 1 . 2]" 1
721 1 141 GLY QA 1 142 GLU H . . 3.090 2.300 2.111 2.743 . 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 9
_Distance_constraint_stats_list.Viol_count 66
_Distance_constraint_stats_list.Viol_total 25.792
_Distance_constraint_stats_list.Viol_max 0.076
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0195
_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 10 CYS 0.222 0.048 16 0 "[ . 1 . 2]"
1 35 CYS 0.403 0.058 14 0 "[ . 1 . 2]"
1 59 CYS 0.664 0.076 17 0 "[ . 1 . 2]"
1 79 CYS 0.664 0.076 17 0 "[ . 1 . 2]"
1 100 CYS 0.403 0.058 14 0 "[ . 1 . 2]"
1 111 CYS 0.222 0.048 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 CYS SG 1 111 CYS SG . . 2.100 2.051 1.960 2.128 0.028 13 0 "[ . 1 . 2]" 2
2 1 10 CYS SG 1 111 CYS CB . . 3.100 3.047 2.973 3.128 0.028 16 0 "[ . 1 . 2]" 2
3 1 10 CYS CB 1 111 CYS SG . . 3.100 3.059 2.981 3.148 0.048 16 0 "[ . 1 . 2]" 2
4 1 35 CYS SG 1 100 CYS SG . . 2.100 2.016 1.971 2.098 . 0 0 "[ . 1 . 2]" 2
5 1 35 CYS SG 1 100 CYS CB . . 3.100 3.055 2.988 3.112 0.012 6 0 "[ . 1 . 2]" 2
6 1 35 CYS CB 1 100 CYS SG . . 3.100 3.117 3.079 3.158 0.058 14 0 "[ . 1 . 2]" 2
7 1 59 CYS SG 1 79 CYS SG . . 2.100 2.000 1.915 2.115 0.015 14 0 "[ . 1 . 2]" 2
8 1 59 CYS SG 1 79 CYS CB . . 3.100 3.100 2.986 3.176 0.076 17 0 "[ . 1 . 2]" 2
9 1 59 CYS CB 1 79 CYS SG . . 3.100 3.100 3.004 3.168 0.068 19 0 "[ . 1 . 2]" 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 57
_Distance_constraint_stats_list.Viol_count 368
_Distance_constraint_stats_list.Viol_total 172.956
_Distance_constraint_stats_list.Viol_max 0.213
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0235
_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 5 ASP 0.060 0.015 17 0 "[ . 1 . 2]"
1 6 LEU 0.456 0.071 4 0 "[ . 1 . 2]"
1 7 ASN 0.744 0.060 10 0 "[ . 1 . 2]"
1 8 ILE 2.080 0.213 20 0 "[ . 1 . 2]"
1 11 ARG 0.170 0.063 8 0 "[ . 1 . 2]"
1 12 PHE 0.299 0.100 11 0 "[ . 1 . 2]"
1 14 GLY 0.049 0.020 7 0 "[ . 1 . 2]"
1 15 VAL 0.299 0.100 11 0 "[ . 1 . 2]"
1 16 PHE 0.173 0.034 15 0 "[ . 1 . 2]"
1 18 VAL 0.390 0.062 9 0 "[ . 1 . 2]"
1 19 GLU 0.744 0.060 10 0 "[ . 1 . 2]"
1 21 ASN 0.060 0.015 17 0 "[ . 1 . 2]"
1 26 ILE 0.695 0.079 9 0 "[ . 1 . 2]"
1 27 SER 0.084 0.015 9 0 "[ . 1 . 2]"
1 30 GLU 0.002 0.002 9 0 "[ . 1 . 2]"
1 31 ALA 0.279 0.023 20 0 "[ . 1 . 2]"
1 32 ALA 0.090 0.023 14 0 "[ . 1 . 2]"
1 33 ASP 0.133 0.025 17 0 "[ . 1 . 2]"
1 34 LEU 0.002 0.002 9 0 "[ . 1 . 2]"
1 35 CYS 0.447 0.024 5 0 "[ . 1 . 2]"
1 36 LYS 0.090 0.023 14 0 "[ . 1 . 2]"
1 37 ALA 0.133 0.025 17 0 "[ . 1 . 2]"
1 40 SER 0.252 0.024 5 0 "[ . 1 . 2]"
1 41 THR 0.447 0.056 16 0 "[ . 1 . 2]"
1 43 PRO 0.226 0.038 16 0 "[ . 1 . 2]"
1 46 ALA 0.192 0.034 14 0 "[ . 1 . 2]"
1 47 GLN 0.165 0.066 3 0 "[ . 1 . 2]"
1 50 LYS 0.192 0.034 14 0 "[ . 1 . 2]"
1 51 ALA 0.771 0.075 3 0 "[ . 1 . 2]"
1 54 ILE 0.606 0.075 3 0 "[ . 1 . 2]"
1 65 GLU 0.226 0.038 16 0 "[ . 1 . 2]"
1 70 ILE 0.618 0.062 6 0 "[ . 1 . 2]"
1 72 ARG 0.522 0.070 20 0 "[ . 1 . 2]"
1 85 GLY 0.522 0.070 20 0 "[ . 1 . 2]"
1 87 TYR 0.618 0.062 6 0 "[ . 1 . 2]"
1 96 TYR 0.695 0.079 9 0 "[ . 1 . 2]"
1 98 THR 0.390 0.062 9 0 "[ . 1 . 2]"
1 100 CYS 0.173 0.034 15 0 "[ . 1 . 2]"
1 101 PHE 0.447 0.056 16 0 "[ . 1 . 2]"
1 102 ASN 0.049 0.020 7 0 "[ . 1 . 2]"
1 110 ASP 0.170 0.063 8 0 "[ . 1 . 2]"
1 126 THR 0.240 0.050 5 0 "[ . 1 . 2]"
1 128 THR 0.667 0.083 18 0 "[ . 1 . 2]"
1 130 VAL 1.629 0.213 20 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 5 ASP H 1 21 ASN OD1 . . 2.000 1.952 1.844 2.015 0.015 17 0 "[ . 1 . 2]" 3
2 1 5 ASP N 1 21 ASN OD1 . . 3.000 2.816 2.699 2.960 . 0 0 "[ . 1 . 2]" 3
3 1 6 LEU H 1 126 THR O . . 2.000 1.964 1.800 2.050 0.050 5 0 "[ . 1 . 2]" 3
4 1 6 LEU N 1 126 THR O . . 3.000 2.844 2.711 2.966 . 0 0 "[ . 1 . 2]" 3
5 1 6 LEU O 1 128 THR H . . 2.000 1.930 1.799 2.071 0.071 4 0 "[ . 1 . 2]" 3
6 1 6 LEU O 1 128 THR N . . 3.000 2.804 2.727 2.944 . 0 0 "[ . 1 . 2]" 3
7 1 7 ASN H 1 19 GLU O . . 2.000 1.965 1.817 2.060 0.060 10 0 "[ . 1 . 2]" 3
8 1 7 ASN N 1 19 GLU O . . 3.000 2.762 2.676 2.946 . 0 0 "[ . 1 . 2]" 3
9 1 7 ASN O 1 19 GLU H . . 2.000 2.012 1.949 2.060 0.060 6 0 "[ . 1 . 2]" 3
10 1 7 ASN O 1 19 GLU N . . 3.000 2.932 2.815 3.010 0.010 4 0 "[ . 1 . 2]" 3
11 1 8 ILE H 1 128 THR O . . 2.000 1.990 1.807 2.083 0.083 18 0 "[ . 1 . 2]" 3
12 1 8 ILE N 1 128 THR O . . 3.000 2.896 2.729 3.007 0.007 18 0 "[ . 1 . 2]" 3
13 1 8 ILE O 1 130 VAL N . . 3.000 3.081 3.007 3.213 0.213 20 0 "[ . 1 . 2]" 3
14 1 11 ARG H 1 110 ASP O . . 2.000 1.955 1.826 2.063 0.063 8 0 "[ . 1 . 2]" 3
15 1 11 ARG N 1 110 ASP O . . 3.000 2.847 2.742 3.031 0.031 8 0 "[ . 1 . 2]" 3
16 1 12 PHE H 1 15 VAL O . . 2.000 1.975 1.870 2.033 0.033 1 0 "[ . 1 . 2]" 3
17 1 12 PHE N 1 15 VAL O . . 3.000 2.781 2.690 2.941 . 0 0 "[ . 1 . 2]" 3
18 1 12 PHE O 1 15 VAL H . . 2.000 1.935 1.820 2.100 0.100 11 0 "[ . 1 . 2]" 3
19 1 12 PHE O 1 15 VAL N . . 3.000 2.820 2.745 3.055 0.055 11 0 "[ . 1 . 2]" 3
20 1 16 PHE H 1 100 CYS O . . 2.000 1.970 1.794 2.034 0.034 15 0 "[ . 1 . 2]" 3
21 1 16 PHE N 1 100 CYS O . . 3.000 2.901 2.770 2.978 . 0 0 "[ . 1 . 2]" 3
22 1 18 VAL H 1 98 THR O . . 2.000 2.017 1.965 2.062 0.062 9 0 "[ . 1 . 2]" 3
23 1 18 VAL N 1 98 THR O . . 3.000 2.968 2.906 3.013 0.013 9 0 "[ . 1 . 2]" 3
24 1 26 ILE O 1 96 TYR H . . 2.000 1.985 1.798 2.067 0.067 9 0 "[ . 1 . 2]" 3
25 1 26 ILE O 1 96 TYR N . . 3.000 2.911 2.744 3.038 0.038 9 0 "[ . 1 . 2]" 3
26 1 26 ILE H 1 96 TYR O . . 2.000 2.009 1.947 2.079 0.079 9 0 "[ . 1 . 2]" 3
27 1 26 ILE N 1 96 TYR O . . 3.000 2.827 2.744 2.988 . 0 0 "[ . 1 . 2]" 3
28 1 27 SER O 1 31 ALA H . . 2.000 1.990 1.893 2.015 0.015 9 0 "[ . 1 . 2]" 3
29 1 27 SER O 1 31 ALA N . . 3.000 2.793 2.745 2.889 . 0 0 "[ . 1 . 2]" 3
30 1 30 GLU O 1 34 LEU H . . 2.000 1.891 1.812 2.002 0.002 9 0 "[ . 1 . 2]" 3
31 1 30 GLU O 1 34 LEU N . . 3.000 2.804 2.746 2.958 . 0 0 "[ . 1 . 2]" 3
32 1 31 ALA O 1 35 CYS H . . 2.000 1.994 1.911 2.023 0.023 20 0 "[ . 1 . 2]" 3
33 1 31 ALA O 1 35 CYS N . . 3.000 2.953 2.844 2.994 . 0 0 "[ . 1 . 2]" 3
34 1 32 ALA O 1 36 LYS H . . 2.000 1.986 1.884 2.023 0.023 14 0 "[ . 1 . 2]" 3
35 1 32 ALA O 1 36 LYS N . . 3.000 2.946 2.862 3.003 0.003 14 0 "[ . 1 . 2]" 3
36 1 33 ASP O 1 37 ALA H . . 2.000 1.989 1.889 2.025 0.025 17 0 "[ . 1 . 2]" 3
37 1 33 ASP O 1 37 ALA N . . 3.000 2.804 2.735 2.930 . 0 0 "[ . 1 . 2]" 3
38 1 35 CYS O 1 40 SER H . . 2.000 2.010 1.957 2.024 0.024 5 0 "[ . 1 . 2]" 3
39 1 35 CYS O 1 40 SER N . . 3.000 2.795 2.739 2.879 . 0 0 "[ . 1 . 2]" 3
40 1 41 THR H 1 101 PHE O . . 2.000 2.012 1.924 2.056 0.056 16 0 "[ . 1 . 2]" 3
41 1 41 THR N 1 101 PHE O . . 3.000 2.914 2.723 3.005 0.005 16 0 "[ . 1 . 2]" 3
42 1 46 ALA O 1 50 LYS H . . 2.000 2.005 1.951 2.034 0.034 14 0 "[ . 1 . 2]" 3
43 1 46 ALA O 1 50 LYS N . . 3.000 2.823 2.758 2.921 . 0 0 "[ . 1 . 2]" 3
44 1 47 GLN O 1 51 ALA H . . 2.000 1.966 1.792 2.066 0.066 3 0 "[ . 1 . 2]" 3
45 1 47 GLN O 1 51 ALA N . . 3.000 2.908 2.746 3.013 0.013 3 0 "[ . 1 . 2]" 3
46 1 51 ALA O 1 54 ILE H . . 2.000 2.024 1.910 2.075 0.075 3 0 "[ . 1 . 2]" 3
47 1 51 ALA O 1 54 ILE N . . 3.000 2.762 2.721 2.938 . 0 0 "[ . 1 . 2]" 3
48 1 43 PRO O 1 65 GLU H . . 2.000 1.982 1.811 2.038 0.038 16 0 "[ . 1 . 2]" 3
49 1 43 PRO O 1 65 GLU N . . 3.000 2.857 2.735 2.957 . 0 0 "[ . 1 . 2]" 3
50 1 70 ILE H 1 87 TYR O . . 2.000 2.029 1.962 2.062 0.062 6 0 "[ . 1 . 2]" 3
51 1 70 ILE N 1 87 TYR O . . 3.000 2.797 2.734 2.917 . 0 0 "[ . 1 . 2]" 3
52 1 72 ARG H 1 85 GLY O . . 2.000 2.026 2.002 2.070 0.070 20 0 "[ . 1 . 2]" 3
53 1 72 ARG N 1 85 GLY O . . 3.000 2.807 2.720 2.925 . 0 0 "[ . 1 . 2]" 3
54 1 41 THR O 1 101 PHE H . . 2.000 1.863 1.793 2.029 0.029 13 0 "[ . 1 . 2]" 3
55 1 41 THR O 1 101 PHE N . . 3.000 2.785 2.721 2.999 . 0 0 "[ . 1 . 2]" 3
56 1 14 GLY O 1 102 ASN H . . 2.000 1.887 1.795 2.020 0.020 7 0 "[ . 1 . 2]" 3
57 1 14 GLY O 1 102 ASN N . . 3.000 2.791 2.721 2.956 . 0 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 7:11:29 PM GMT (wattos1)