NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440621 |
2k8v   |
15964 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k8v
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 1247
_Distance_constraint_stats_list.Viol_count 6210
_Distance_constraint_stats_list.Viol_total 11253.480
_Distance_constraint_stats_list.Viol_max 0.351
_Distance_constraint_stats_list.Viol_rms 0.0217
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0453
_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 8 MET 0.009 0.004 21 0 "[ . 1 . 2 . 3 . 4]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 15 LEU 0.532 0.067 30 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLY 10.144 0.256 1 0 "[ . 1 . 2 . 3 . 4]"
1 17 LYS 0.047 0.043 9 0 "[ . 1 . 2 . 3 . 4]"
1 18 GLY 0.627 0.073 29 0 "[ . 1 . 2 . 3 . 4]"
1 19 PHE 1.926 0.094 28 0 "[ . 1 . 2 . 3 . 4]"
1 20 GLY 3.425 0.133 10 0 "[ . 1 . 2 . 3 . 4]"
1 21 ASP 0.119 0.094 2 0 "[ . 1 . 2 . 3 . 4]"
1 22 HIS 0.458 0.070 33 0 "[ . 1 . 2 . 3 . 4]"
1 23 ILE 8.748 0.279 36 0 "[ . 1 . 2 . 3 . 4]"
1 24 HIS 0.143 0.074 26 0 "[ . 1 . 2 . 3 . 4]"
1 25 TRP 23.171 0.279 36 0 "[ . 1 . 2 . 3 . 4]"
1 26 ARG 15.226 0.351 31 0 "[ . 1 . 2 . 3 . 4]"
1 27 THR 2.796 0.080 27 0 "[ . 1 . 2 . 3 . 4]"
1 28 LEU 0.013 0.008 13 0 "[ . 1 . 2 . 3 . 4]"
1 29 GLU 0.025 0.025 35 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.285 0.031 26 0 "[ . 1 . 2 . 3 . 4]"
1 31 GLY 0.019 0.014 1 0 "[ . 1 . 2 . 3 . 4]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 33 LYS 0.138 0.027 34 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLU 0.996 0.049 24 0 "[ . 1 . 2 . 3 . 4]"
1 35 ALA 0.499 0.057 37 0 "[ . 1 . 2 . 3 . 4]"
1 36 ALA 0.547 0.030 24 0 "[ . 1 . 2 . 3 . 4]"
1 37 ALA 0.057 0.013 34 0 "[ . 1 . 2 . 3 . 4]"
1 38 SER 0.004 0.004 30 0 "[ . 1 . 2 . 3 . 4]"
1 39 GLY 0.419 0.026 11 0 "[ . 1 . 2 . 3 . 4]"
1 40 LEU 4.237 0.117 33 0 "[ . 1 . 2 . 3 . 4]"
1 41 PRO 0.709 0.065 24 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 5.369 0.135 40 0 "[ . 1 . 2 . 3 . 4]"
1 43 MET 4.746 0.158 37 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 3.585 0.224 36 0 "[ . 1 . 2 . 3 . 4]"
1 45 ILE 1.298 0.112 24 0 "[ . 1 . 2 . 3 . 4]"
1 46 ILE 10.870 0.214 16 0 "[ . 1 . 2 . 3 . 4]"
1 47 HIS 1.544 0.119 34 0 "[ . 1 . 2 . 3 . 4]"
1 48 LYS 0.852 0.136 15 0 "[ . 1 . 2 . 3 . 4]"
1 49 SER 0.064 0.031 29 0 "[ . 1 . 2 . 3 . 4]"
1 50 TRP 0.068 0.016 5 0 "[ . 1 . 2 . 3 . 4]"
1 51 CYS 2.341 0.108 34 0 "[ . 1 . 2 . 3 . 4]"
1 52 GLY 3.841 0.151 15 0 "[ . 1 . 2 . 3 . 4]"
1 53 ALA 2.912 0.105 7 0 "[ . 1 . 2 . 3 . 4]"
1 54 CYS 2.504 0.105 7 0 "[ . 1 . 2 . 3 . 4]"
1 55 LYS 1.315 0.058 16 0 "[ . 1 . 2 . 3 . 4]"
1 56 ALA 9.140 0.151 15 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.453 0.055 21 0 "[ . 1 . 2 . 3 . 4]"
1 58 LYS 0.879 0.058 16 0 "[ . 1 . 2 . 3 . 4]"
1 59 PRO 3.137 0.108 29 0 "[ . 1 . 2 . 3 . 4]"
1 60 LYS 15.577 0.141 27 0 "[ . 1 . 2 . 3 . 4]"
1 61 PHE 10.700 0.141 27 0 "[ . 1 . 2 . 3 . 4]"
1 62 ALA 7.044 0.122 38 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 12.819 0.228 2 0 "[ . 1 . 2 . 3 . 4]"
1 64 SER 7.386 0.133 24 0 "[ . 1 . 2 . 3 . 4]"
1 65 THR 4.781 0.131 29 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 9.276 0.134 33 0 "[ . 1 . 2 . 3 . 4]"
1 67 ILE 13.800 0.228 2 0 "[ . 1 . 2 . 3 . 4]"
1 68 SER 3.502 0.069 9 0 "[ . 1 . 2 . 3 . 4]"
1 69 GLU 2.418 0.100 34 0 "[ . 1 . 2 . 3 . 4]"
1 70 LEU 11.455 0.185 29 0 "[ . 1 . 2 . 3 . 4]"
1 71 SER 6.475 0.188 26 0 "[ . 1 . 2 . 3 . 4]"
1 72 HIS 5.078 0.241 33 0 "[ . 1 . 2 . 3 . 4]"
1 73 ASN 16.295 0.241 33 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 9.902 0.282 10 0 "[ . 1 . 2 . 3 . 4]"
1 75 VAL 8.226 0.351 31 0 "[ . 1 . 2 . 3 . 4]"
1 76 MET 5.658 0.159 23 0 "[ . 1 . 2 . 3 . 4]"
1 77 VAL 10.146 0.231 24 0 "[ . 1 . 2 . 3 . 4]"
1 78 ASN 12.138 0.214 16 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 7.775 0.231 24 0 "[ . 1 . 2 . 3 . 4]"
1 80 GLU 0.294 0.136 15 0 "[ . 1 . 2 . 3 . 4]"
1 81 ASP 0.450 0.115 8 0 "[ . 1 . 2 . 3 . 4]"
1 82 GLU 0.008 0.004 14 0 "[ . 1 . 2 . 3 . 4]"
1 83 GLU 0.378 0.050 37 0 "[ . 1 . 2 . 3 . 4]"
1 84 GLU 0.296 0.061 23 0 "[ . 1 . 2 . 3 . 4]"
1 85 PRO 0.420 0.051 3 0 "[ . 1 . 2 . 3 . 4]"
1 86 LYS 0.232 0.051 3 0 "[ . 1 . 2 . 3 . 4]"
1 87 ASP 0.059 0.015 38 0 "[ . 1 . 2 . 3 . 4]"
1 88 GLU 1.181 0.060 7 0 "[ . 1 . 2 . 3 . 4]"
1 89 ASP 0.017 0.016 7 0 "[ . 1 . 2 . 3 . 4]"
1 90 PHE 0.652 0.091 31 0 "[ . 1 . 2 . 3 . 4]"
1 91 SER 0.790 0.043 36 0 "[ . 1 . 2 . 3 . 4]"
1 92 PRO 0.410 0.060 22 0 "[ . 1 . 2 . 3 . 4]"
1 93 ASP 0.453 0.054 26 0 "[ . 1 . 2 . 3 . 4]"
1 94 GLY 0.344 0.060 14 0 "[ . 1 . 2 . 3 . 4]"
1 95 GLY 0.672 0.060 14 0 "[ . 1 . 2 . 3 . 4]"
1 96 TYR 4.429 0.169 15 0 "[ . 1 . 2 . 3 . 4]"
1 97 ILE 9.362 0.251 11 0 "[ . 1 . 2 . 3 . 4]"
1 98 PRO 4.573 0.251 11 0 "[ . 1 . 2 . 3 . 4]"
1 99 ARG 4.563 0.186 18 0 "[ . 1 . 2 . 3 . 4]"
1 100 ILE 4.453 0.169 15 0 "[ . 1 . 2 . 3 . 4]"
1 101 LEU 10.522 0.224 36 0 "[ . 1 . 2 . 3 . 4]"
1 102 PHE 0.258 0.112 18 0 "[ . 1 . 2 . 3 . 4]"
1 103 LEU 7.111 0.261 36 0 "[ . 1 . 2 . 3 . 4]"
1 104 ASP 0.158 0.029 15 0 "[ . 1 . 2 . 3 . 4]"
1 105 PRO 1.003 0.046 14 0 "[ . 1 . 2 . 3 . 4]"
1 106 SER 0.510 0.105 27 0 "[ . 1 . 2 . 3 . 4]"
1 107 GLY 0.391 0.105 27 0 "[ . 1 . 2 . 3 . 4]"
1 108 LYS 0.486 0.065 36 0 "[ . 1 . 2 . 3 . 4]"
1 109 VAL 14.313 0.261 36 0 "[ . 1 . 2 . 3 . 4]"
1 110 HIS 0.195 0.045 36 0 "[ . 1 . 2 . 3 . 4]"
1 111 PRO 3.980 0.197 36 0 "[ . 1 . 2 . 3 . 4]"
1 112 GLU 6.385 0.174 27 0 "[ . 1 . 2 . 3 . 4]"
1 113 ILE 0.849 0.047 18 0 "[ . 1 . 2 . 3 . 4]"
1 114 ILE 4.385 0.083 10 0 "[ . 1 . 2 . 3 . 4]"
1 115 ASN 2.798 0.111 26 0 "[ . 1 . 2 . 3 . 4]"
1 116 GLU 2.670 0.311 27 0 "[ . 1 . 2 . 3 . 4]"
1 117 ASN 0.144 0.066 25 0 "[ . 1 . 2 . 3 . 4]"
1 118 GLY 1.638 0.074 5 0 "[ . 1 . 2 . 3 . 4]"
1 119 ASN 0.702 0.081 10 0 "[ . 1 . 2 . 3 . 4]"
1 120 PRO 0.018 0.011 32 0 "[ . 1 . 2 . 3 . 4]"
1 121 SER 4.728 0.176 33 0 "[ . 1 . 2 . 3 . 4]"
1 122 TYR 7.009 0.176 33 0 "[ . 1 . 2 . 3 . 4]"
1 123 LYS 4.530 0.083 10 0 "[ . 1 . 2 . 3 . 4]"
1 124 TYR 3.421 0.194 7 0 "[ . 1 . 2 . 3 . 4]"
1 125 PHE 1.344 0.101 24 0 "[ . 1 . 2 . 3 . 4]"
1 126 TYR 1.334 0.108 36 0 "[ . 1 . 2 . 3 . 4]"
1 127 VAL 3.109 0.101 24 0 "[ . 1 . 2 . 3 . 4]"
1 128 SER 3.817 0.145 36 0 "[ . 1 . 2 . 3 . 4]"
1 129 ALA 0.627 0.062 20 0 "[ . 1 . 2 . 3 . 4]"
1 130 GLU 0.025 0.010 27 0 "[ . 1 . 2 . 3 . 4]"
1 131 GLN 8.865 0.252 36 0 "[ . 1 . 2 . 3 . 4]"
1 132 VAL 6.851 0.110 7 0 "[ . 1 . 2 . 3 . 4]"
1 133 VAL 7.018 0.174 36 0 "[ . 1 . 2 . 3 . 4]"
1 134 GLN 13.502 0.252 36 0 "[ . 1 . 2 . 3 . 4]"
1 135 GLY 0.675 0.114 10 0 "[ . 1 . 2 . 3 . 4]"
1 136 MET 8.019 0.174 36 0 "[ . 1 . 2 . 3 . 4]"
1 137 LYS 4.014 0.114 18 0 "[ . 1 . 2 . 3 . 4]"
1 138 GLU 5.170 0.083 7 0 "[ . 1 . 2 . 3 . 4]"
1 139 ALA 2.966 0.072 26 0 "[ . 1 . 2 . 3 . 4]"
1 140 GLN 6.078 0.085 28 0 "[ . 1 . 2 . 3 . 4]"
1 141 GLU 5.798 0.174 3 0 "[ . 1 . 2 . 3 . 4]"
1 142 ARG 1.871 0.053 4 0 "[ . 1 . 2 . 3 . 4]"
1 143 LEU 2.102 0.075 11 0 "[ . 1 . 2 . 3 . 4]"
1 144 THR 4.339 0.222 21 0 "[ . 1 . 2 . 3 . 4]"
1 145 GLY 0.211 0.039 32 0 "[ . 1 . 2 . 3 . 4]"
1 146 ASP 0.790 0.040 29 0 "[ . 1 . 2 . 3 . 4]"
1 147 ALA 0.000 0.000 37 0 "[ . 1 . 2 . 3 . 4]"
1 148 PHE 0.812 0.040 29 0 "[ . 1 . 2 . 3 . 4]"
1 149 ARG 4.012 0.168 2 0 "[ . 1 . 2 . 3 . 4]"
1 150 LYS 0.902 0.054 4 0 "[ . 1 . 2 . 3 . 4]"
1 151 LYS 0.432 0.050 39 0 "[ . 1 . 2 . 3 . 4]"
1 152 HIS 0.738 0.103 21 0 "[ . 1 . 2 . 3 . 4]"
1 153 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 156 GLU 0.021 0.004 1 0 "[ . 1 . 2 . 3 . 4]"
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 42 LEU MD1 1 42 LEU MD2 2.500 . 2.500 2.008 1.907 2.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 144 THR HA 1 144 THR HB 2.500 . 2.500 2.509 2.284 2.596 0.096 8 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 144 THR HA 1 144 THR MG . . 3.500 2.432 2.150 3.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 132 VAL MG1 1 132 VAL MG2 . . 2.500 2.029 1.934 2.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 149 ARG HB3 1 149 ARG HD2 . . 3.500 2.910 2.083 3.507 0.007 22 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 149 ARG HA 1 149 ARG HG3 . . 3.500 3.409 3.210 3.668 0.168 2 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 149 ARG HA 1 149 ARG HG2 . . 3.500 2.573 2.263 3.552 0.052 5 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 46 ILE MD 1 46 ILE MG . . 2.500 2.503 2.075 2.645 0.145 16 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 77 VAL MG1 1 77 VAL MG2 2.500 . 2.500 2.005 1.915 2.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 44 VAL MG1 1 44 VAL MG2 2.500 . 2.500 2.035 1.913 2.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 101 LEU HA 1 101 LEU MD1 4.500 . 4.500 3.173 2.153 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 97 ILE MD 1 97 ILE MG 2.500 . 2.500 2.437 2.005 2.577 0.077 1 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 79 LEU HA 1 79 LEU MD1 4.500 . 4.500 3.151 1.968 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 108 LYS HD3 1 108 LYS HG2 . . 2.500 2.336 2.220 2.510 0.010 7 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 108 LYS HA 1 108 LYS HG2 4.500 . 4.500 2.251 2.006 3.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 103 LEU HA 1 109 VAL HA 6.000 . 6.000 2.768 1.872 3.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 103 LEU HG 1 109 VAL HA 6.000 . 6.000 3.972 2.660 4.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 103 LEU MD1 1 109 VAL HA 6.000 . 6.000 3.260 2.204 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 103 LEU MD2 1 109 VAL HA 6.000 . 6.000 3.291 1.791 4.106 0.009 23 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 103 LEU MD1 1 109 VAL HB 6.000 . 6.000 3.842 2.904 5.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 103 LEU HA 1 109 VAL MG2 6.000 . 6.000 4.024 2.689 5.297 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 108 LYS HA 1 109 VAL MG2 6.000 . 6.000 4.699 3.411 5.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 103 LEU HG 1 109 VAL MG2 6.000 . 6.000 3.956 2.235 5.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 103 LEU MD1 1 109 VAL MG2 4.500 . 4.500 2.536 1.788 4.507 0.012 10 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 103 LEU HA 1 109 VAL MG1 6.000 . 6.000 4.687 3.356 5.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 101 LEU HA 1 109 VAL MG1 6.000 . 6.000 5.049 3.129 6.072 0.072 7 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 109 VAL MG1 1 111 PRO HD2 6.000 . 6.000 4.699 4.022 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 109 VAL MG1 1 111 PRO HG2 6.000 . 6.000 5.992 5.399 6.031 0.031 14 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 101 LEU MD1 1 109 VAL MG1 6.000 . 6.000 3.382 1.790 5.065 0.010 22 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 101 LEU HB2 1 109 VAL MG1 6.000 . 6.000 3.615 1.867 5.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 110 HIS HA 1 111 PRO HD3 6.000 . 6.000 2.372 2.282 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 103 LEU MD1 1 107 GLY HA2 6.000 . 6.000 2.151 1.780 6.012 0.020 17 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 103 LEU MD1 1 107 GLY HA3 6.000 . 6.000 3.415 3.031 5.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 104 ASP HB2 1 105 PRO HD2 6.000 . 6.000 3.798 2.214 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 104 ASP HB3 1 105 PRO HD2 6.000 . 6.000 2.895 1.974 3.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 103 LEU H 1 103 LEU MD2 . . 4.500 2.438 1.805 4.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 101 LEU HA 1 103 LEU MD2 6.000 . 6.000 5.603 3.945 6.093 0.093 33 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 103 LEU MD2 1 107 GLY HA2 6.000 . 6.000 3.874 1.897 6.010 0.010 37 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 101 LEU MD1 1 103 LEU MD2 6.000 . 6.000 4.943 1.949 6.102 0.102 31 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 103 LEU MD2 1 109 VAL MG2 4.500 . 4.500 2.764 1.763 3.972 0.037 7 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 102 PHE HA 1 103 LEU H . . 3.500 2.289 2.127 2.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 46 ILE MD 1 101 LEU HG 6.000 . 6.000 4.146 2.546 5.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 101 LEU HG 1 109 VAL MG2 6.000 . 6.000 3.576 1.861 5.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 100 ILE MD 1 101 LEU H 6.000 . 6.000 4.358 2.119 5.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 101 LEU MD1 1 124 TYR HA 6.000 . 6.000 4.958 3.812 6.194 0.194 7 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 46 ILE HB 1 101 LEU MD1 6.000 . 6.000 4.551 3.445 5.755 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 46 ILE HG13 1 101 LEU MD1 4.500 . 4.500 4.439 3.868 4.651 0.151 36 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 46 ILE MD 1 101 LEU MD1 6.000 . 6.000 2.827 2.184 3.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 101 LEU H 1 101 LEU MD2 . . 4.500 3.578 1.907 4.600 0.100 40 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 45 ILE HA 1 101 LEU MD2 6.000 . 6.000 5.032 3.345 5.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 44 VAL HB 1 101 LEU MD2 4.500 . 4.500 3.844 1.800 4.614 0.114 30 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 46 ILE HG13 1 101 LEU MD2 4.500 . 4.500 4.467 3.770 4.596 0.096 32 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 46 ILE MD 1 101 LEU MD2 4.500 . 4.500 2.611 2.139 3.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 101 LEU MD2 1 109 VAL MG2 6.000 . 6.000 2.666 1.705 4.327 0.095 25 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 100 ILE HA 1 101 LEU H . . 3.500 2.243 2.117 2.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 100 ILE HB 1 126 TYR QD 6.000 . 6.000 3.280 1.879 4.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 100 ILE MD 1 126 TYR QD 6.000 . 6.000 2.607 1.832 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 45 ILE HG13 1 100 ILE MD 6.000 . 6.000 4.579 1.931 6.074 0.074 13 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 97 ILE HB 1 98 PRO HA 6.000 . 6.000 4.362 3.792 4.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 97 ILE HB 1 98 PRO HB3 6.000 . 6.000 5.714 5.147 6.127 0.127 37 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 96 TYR HB2 1 97 ILE HG13 6.000 . 6.000 4.828 3.820 6.088 0.088 25 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 97 ILE MG 1 98 PRO HA 6.000 . 6.000 4.151 3.826 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 97 ILE MG 1 99 ARG HD2 6.000 . 6.000 5.907 5.326 6.129 0.129 32 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 50 TRP HZ2 1 97 ILE MD 6.000 . 6.000 5.248 1.842 6.008 0.008 8 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 97 ILE MD 1 98 PRO HA 6.000 . 6.000 5.450 4.679 5.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 48 LYS HA 1 97 ILE MD 6.000 . 6.000 5.258 3.859 6.004 0.004 20 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 51 CYS HA 1 97 ILE MD 6.000 . 6.000 6.059 6.001 6.108 0.108 34 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 31 GLY HA3 1 34 GLU HB3 6.000 . 6.000 4.712 4.018 5.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 31 GLY HA2 1 34 GLU HB3 6.000 . 6.000 3.069 2.353 3.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 55 LYS HB3 1 55 LYS HD3 3.500 . 3.500 2.855 2.108 3.505 0.005 14 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 15 LEU MD1 1 15 LEU MD2 2.500 . 2.500 1.818 1.774 1.860 0.026 12 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 15 LEU HA 1 15 LEU MD1 3.500 . 3.500 2.546 1.796 3.441 0.004 29 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 59 PRO HA 1 62 ALA MB 6.000 . 6.000 2.769 2.651 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 60 LYS HA 1 60 LYS HE2 6.000 . 6.000 4.387 3.192 6.027 0.027 1 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 65 THR HA 1 65 THR MG . . 3.500 2.242 2.061 2.338 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 66 GLU HA 1 66 GLU HG2 3.500 . 3.500 3.110 2.077 3.569 0.069 9 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 69 GLU HA 1 69 GLU HG2 3.500 . 3.500 3.338 2.910 3.559 0.059 34 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 70 LEU HA 1 70 LEU MD2 . . 4.500 3.293 2.426 3.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 70 LEU HA 1 70 LEU MD1 4.500 . 4.500 3.070 2.119 3.782 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 75 VAL MG1 1 75 VAL MG2 2.500 . 2.500 2.023 1.907 2.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 52 GLY HA3 1 55 LYS HB3 6.000 . 6.000 4.755 3.688 5.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 52 GLY HA3 1 55 LYS HD2 6.000 . 6.000 4.840 3.727 6.002 0.002 2 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 52 GLY HA3 1 55 LYS HG3 6.000 . 6.000 5.133 3.498 6.008 0.008 17 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 52 GLY HA2 1 55 LYS HD2 6.000 . 6.000 3.691 2.480 4.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 52 GLY HA2 1 55 LYS HB3 6.000 . 6.000 3.318 2.035 4.342 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 52 GLY HA2 1 55 LYS HG3 6.000 . 6.000 3.751 2.268 4.466 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 53 ALA HA 1 56 ALA MB 4.500 . 4.500 3.423 2.540 4.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 53 ALA HA 1 54 CYS HA 4.500 . 4.500 4.562 4.530 4.605 0.105 7 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 53 ALA MB 1 125 PHE HZ 4.500 . 4.500 3.796 2.511 4.518 0.018 1 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 53 ALA MB 1 54 CYS HA 4.500 . 4.500 3.947 3.790 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 53 ALA MB 1 127 VAL HB 6.000 . 6.000 4.583 1.921 5.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 53 ALA MB 1 127 VAL MG2 6.000 . 6.000 4.315 2.923 5.190 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 55 LYS HA 1 58 LYS HD3 6.000 . 6.000 3.506 2.002 5.242 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 55 LYS HA 1 55 LYS HE2 6.000 . 6.000 5.323 4.447 6.038 0.038 18 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 55 LYS HG3 1 58 LYS HD3 6.000 . 6.000 5.843 5.033 6.038 0.038 27 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 55 LYS HG2 1 58 LYS HD3 6.000 . 6.000 5.727 3.479 6.058 0.058 16 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 56 ALA HA 1 59 PRO HD3 6.000 . 6.000 4.224 3.451 5.302 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 56 ALA HA 1 59 PRO HD2 6.000 . 6.000 3.041 2.619 3.771 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 56 ALA HA 1 60 LYS HE2 6.000 . 6.000 4.899 3.045 6.076 0.076 7 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 56 ALA HA 1 59 PRO HG2 6.000 . 6.000 3.545 2.725 4.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 55 LYS HB3 1 56 ALA HA 6.000 . 6.000 4.668 3.816 5.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 52 GLY HA3 1 56 ALA MB 6.000 . 6.000 4.722 4.266 5.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 55 LYS HA 1 56 ALA MB 6.000 . 6.000 5.021 4.980 5.051 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 56 ALA MB 1 60 LYS HE2 6.000 . 6.000 3.591 2.049 5.298 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 55 LYS HB2 1 56 ALA MB 6.000 . 6.000 4.680 3.979 5.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 15 LEU MD2 1 26 ARG HA 6.000 . 6.000 4.169 1.830 6.040 0.040 40 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 55 LYS HA 1 57 LEU MD2 6.000 . 6.000 5.703 4.078 6.055 0.055 21 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 54 CYS HB2 1 57 LEU MD2 6.000 . 6.000 4.869 2.632 6.009 0.009 4 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 59 PRO HB3 1 62 ALA MB 6.000 . 6.000 4.755 4.488 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 59 PRO HB2 1 62 ALA MB 6.000 . 6.000 4.751 4.553 5.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 59 PRO HG2 1 62 ALA MB 6.000 . 6.000 5.509 5.374 6.068 0.068 38 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 59 PRO HG3 1 62 ALA MB 6.000 . 6.000 5.990 5.417 6.108 0.108 29 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 29 GLU HA 1 32 LYS HB3 6.000 . 6.000 4.150 2.984 5.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 59 PRO HD2 1 61 PHE HB3 6.000 . 6.000 5.917 5.301 6.073 0.073 27 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 59 PRO HD2 1 61 PHE HB2 6.000 . 6.000 5.940 5.287 6.096 0.096 19 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 60 LYS HG3 1 61 PHE HB3 4.500 . 4.500 4.600 4.561 4.641 0.141 27 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 60 LYS HG3 1 61 PHE HB2 3.500 . 3.500 3.355 3.096 3.549 0.049 32 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 20 GLY HA3 1 62 ALA HA 6.000 . 6.000 4.131 3.088 5.257 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 20 GLY HA2 1 62 ALA HA 6.000 . 6.000 2.757 1.873 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 61 PHE H 1 62 ALA MB 6.000 . 6.000 4.212 4.072 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 61 PHE QD 1 62 ALA MB 6.000 . 6.000 4.901 4.486 5.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 19 PHE QD 1 62 ALA MB 6.000 . 6.000 5.999 5.516 6.094 0.094 28 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 20 GLY HA3 1 62 ALA MB 6.000 . 6.000 5.245 3.913 6.019 0.019 32 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 59 PRO HD3 1 62 ALA MB 6.000 . 6.000 5.314 5.159 5.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 20 GLY HA2 1 62 ALA MB 6.000 . 6.000 3.918 2.411 4.647 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 62 ALA MB 1 65 THR MG 6.000 . 6.000 5.247 4.092 5.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 60 LYS HG3 1 63 GLU HB2 6.000 . 6.000 5.342 4.376 6.013 0.013 35 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 60 LYS HG3 1 63 GLU HB3 6.000 . 6.000 5.048 4.319 5.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 60 LYS HG2 1 63 GLU HB2 6.000 . 6.000 6.066 6.030 6.099 0.099 14 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 60 LYS HG2 1 63 GLU HB3 6.000 . 6.000 6.072 6.028 6.106 0.106 35 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 62 ALA MB 1 63 GLU HB2 6.000 . 6.000 4.213 4.079 4.315 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 64 SER HB2 1 67 ILE HB 6.000 . 6.000 3.428 2.740 5.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 64 SER HB2 1 67 ILE MD 6.000 . 6.000 3.580 2.376 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 64 SER HB2 1 67 ILE MG . . 4.500 4.216 2.907 4.510 0.010 12 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 65 THR HA 1 68 SER HA 6.000 . 6.000 5.186 5.092 5.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 65 THR HB 1 69 GLU HG2 6.000 . 6.000 5.942 5.659 6.022 0.022 13 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 65 THR HB 1 66 GLU HB3 6.000 . 6.000 4.805 3.949 5.585 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 65 THR HB 1 66 GLU HB2 6.000 . 6.000 5.250 3.927 6.042 0.042 14 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 64 SER HA 1 65 THR MG 6.000 . 6.000 5.719 5.114 6.006 0.006 2 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 62 ALA HA 1 65 THR MG 6.000 . 6.000 5.576 4.456 6.053 0.053 38 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 66 GLU HA 1 69 GLU HB3 6.000 . 6.000 5.306 4.700 5.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 66 GLU HB3 1 70 LEU MD1 4.500 . 4.500 4.070 3.011 4.634 0.134 33 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 66 GLU HB2 1 70 LEU MD1 4.500 . 4.500 3.599 3.097 4.614 0.114 2 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 65 THR MG 1 66 GLU HG2 6.000 . 6.000 5.992 5.711 6.076 0.076 6 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 66 GLU HG2 1 70 LEU MD1 3.500 . 3.500 3.525 3.502 3.566 0.066 6 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 67 ILE HA 1 69 GLU HA 6.000 . 6.000 6.020 5.755 6.100 0.100 34 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 67 ILE HA 1 70 LEU HB3 6.000 . 6.000 3.307 2.167 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 67 ILE HA 1 70 LEU MD1 6.000 . 6.000 2.457 1.615 3.588 0.185 29 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 64 SER HA 1 67 ILE HB 6.000 . 6.000 2.363 1.796 4.404 0.004 9 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 67 ILE HB 1 70 LEU MD1 6.000 . 6.000 4.838 3.603 6.022 0.022 17 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 64 SER HB2 1 67 ILE HG13 6.000 . 6.000 4.778 3.995 5.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 64 SER HB2 1 67 ILE HG12 6.000 . 6.000 5.800 3.322 6.080 0.080 39 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 67 ILE HG13 1 70 LEU HB2 6.000 . 6.000 4.903 4.093 6.099 0.099 29 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 67 ILE HG12 1 70 LEU HB2 6.000 . 6.000 4.119 3.602 6.138 0.138 29 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 67 ILE HG13 1 70 LEU MD1 6.000 . 6.000 3.978 2.050 5.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 67 ILE HG12 1 70 LEU MD1 6.000 . 6.000 3.410 2.073 5.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 67 ILE MG 1 70 LEU MD1 6.000 . 6.000 3.790 2.611 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 61 PHE QD 1 67 ILE MD 6.000 . 6.000 3.669 3.043 4.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 64 SER HA 1 67 ILE MD 6.000 . 6.000 2.309 1.959 3.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 64 SER HB3 1 67 ILE MD 4.500 . 4.500 3.030 1.924 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 61 PHE HB3 1 67 ILE MD 6.000 . 6.000 5.589 5.016 6.037 0.037 29 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 22 HIS HD2 1 68 SER HA 6.000 . 6.000 5.414 3.628 6.035 0.035 24 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 23 ILE MD 1 68 SER HA 6.000 . 6.000 3.240 1.931 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 23 ILE HG12 1 68 SER HA 6.000 . 6.000 3.085 1.873 5.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 67 ILE MG 1 68 SER HA 6.000 . 6.000 3.880 3.274 5.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 22 HIS HD2 1 68 SER HB2 6.000 . 6.000 5.217 2.304 6.021 0.021 30 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 23 ILE HG12 1 68 SER HA 6.000 . 6.000 3.105 1.873 5.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 23 ILE MD 1 67 ILE MG 4.500 . 4.500 3.571 1.792 4.512 0.012 2 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 23 ILE HA 1 23 ILE MD 4.500 . 4.500 3.446 2.133 3.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 23 ILE MD 1 68 SER HA 4.500 . 4.500 3.251 1.931 4.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 23 ILE MD 1 68 SER HB2 6.000 . 6.000 3.775 2.242 4.812 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 23 ILE MD 1 68 SER HB3 6.000 . 6.000 4.364 2.789 5.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 23 ILE MD 1 62 ALA HA 6.000 . 6.000 5.437 4.184 6.091 0.091 26 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 20 GLY HA3 1 23 ILE MD 6.000 . 6.000 3.211 1.892 5.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 23 ILE MD 1 25 TRP HZ3 6.000 . 6.000 5.881 3.425 6.097 0.097 17 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 23 ILE MD 1 25 TRP HH2 6.000 . 6.000 4.428 2.482 4.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 23 ILE MD 1 61 PHE QD 6.000 . 6.000 3.761 2.701 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 23 ILE MG 1 71 SER HB3 6.000 . 6.000 4.116 2.128 6.055 0.055 26 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 23 ILE MG 1 76 MET HA 6.000 . 6.000 4.972 4.182 6.159 0.159 23 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 20 GLY HA3 1 23 ILE MG 6.000 . 6.000 5.231 3.745 5.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 23 ILE MG 1 25 TRP HZ3 6.000 . 6.000 4.568 3.299 5.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 15 LEU HB3 1 25 TRP HB3 6.000 . 6.000 4.164 2.098 6.015 0.015 2 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 15 LEU HB3 1 25 TRP HB2 6.000 . 6.000 3.190 1.872 5.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 23 ILE MD 1 68 SER HB3 6.000 . 6.000 4.025 2.781 5.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 65 THR MG 1 68 SER HB3 6.000 . 6.000 4.635 3.700 5.750 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 23 ILE MD 1 68 SER HB2 6.000 . 6.000 3.683 2.242 4.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 65 THR MG 1 68 SER HB2 6.000 . 6.000 4.493 3.813 5.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 23 ILE HG12 1 68 SER HB2 6.000 . 6.000 4.288 3.119 5.718 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 67 ILE MG 1 68 SER HB2 6.000 . 6.000 5.376 4.440 5.877 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 22 HIS HD2 1 68 SER HB3 6.000 . 6.000 5.539 3.726 6.015 0.015 13 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 67 ILE HA 1 70 LEU HB2 6.000 . 6.000 2.260 1.768 5.263 0.032 8 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 67 ILE MG 1 70 LEU MD2 6.000 . 6.000 3.828 2.740 4.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 67 ILE HA 1 70 LEU MD2 6.000 . 6.000 3.490 2.430 4.408 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 113 ILE HG12 1 113 ILE MG . . 3.500 2.808 1.961 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 116 GLU HB2 1 116 GLU HG3 2.500 . 2.500 2.375 2.331 2.749 0.249 12 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 116 GLU HB2 1 116 GLU HG2 2.500 . 2.500 2.519 2.395 2.811 0.311 27 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 123 LYS HB3 1 123 LYS HD3 . . 3.500 2.477 2.212 2.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 123 LYS HA 1 123 LYS HE2 6.000 . 6.000 2.703 1.914 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 124 TYR HA 1 124 TYR QE 6.000 . 6.000 4.471 4.117 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 127 VAL MG1 1 127 VAL MG2 2.500 . 2.500 2.031 1.915 2.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 131 GLN HA 1 131 GLN HG3 . . 4.500 3.798 3.535 4.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 131 GLN HA 1 131 GLN HG2 4.500 . 4.500 3.706 3.541 4.155 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 133 VAL MG1 1 133 VAL MG2 2.500 . 2.500 2.041 1.904 2.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 134 GLN HA 1 134 GLN HG3 4.500 . 4.500 3.770 3.576 3.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 32 LYS HB2 1 32 LYS HE2 4.500 . 4.500 2.392 1.936 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 32 LYS HB2 1 32 LYS HE3 4.500 . 4.500 3.399 2.022 4.121 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 32 LYS HA 1 32 LYS HE2 6.000 . 6.000 4.048 3.430 4.950 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 140 GLN HA 1 140 GLN HG3 4.500 . 4.500 3.455 2.681 3.673 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 141 GLU HA 1 141 GLU HG2 3.500 . 3.500 3.573 3.495 3.656 0.156 7 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 141 GLU HA 1 141 GLU HG3 3.500 . 3.500 3.165 2.400 3.674 0.174 3 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 141 GLU HB3 1 141 GLU HG2 2.500 . 2.500 2.430 2.250 2.564 0.064 8 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 142 ARG HB3 1 142 ARG HG2 . . 2.500 2.310 2.210 2.510 0.010 7 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 142 ARG HA 1 142 ARG HG2 4.500 . 4.500 3.766 3.046 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 142 ARG HA 1 142 ARG HG3 . . 4.500 3.450 2.219 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 143 LEU HA 1 143 LEU MD2 4.500 . 4.500 3.289 1.890 4.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 148 PHE HA 1 148 PHE QE 6.000 . 6.000 5.638 5.624 5.646 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 150 LYS HA 1 150 LYS HD3 4.500 . 4.500 3.455 1.820 4.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 150 LYS HD3 1 150 LYS HG3 2.500 . 2.500 2.437 2.227 2.511 0.011 16 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 150 LYS HD3 1 150 LYS HG2 2.500 . 2.500 2.207 1.998 2.504 0.004 34 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 101 LEU MD2 1 111 PRO HA 6.000 . 6.000 5.866 5.299 6.197 0.197 36 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 101 LEU MD1 1 111 PRO HA 6.000 . 6.000 5.905 4.990 6.096 0.096 36 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 110 HIS HA 1 111 PRO HG2 6.000 . 6.000 4.366 4.250 5.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 110 HIS HA 1 111 PRO HD2 6.000 . 6.000 2.203 2.054 2.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 109 VAL MG1 1 111 PRO HD3 6.000 . 6.000 3.640 3.225 3.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 102 PHE QD 1 113 ILE HB 6.000 . 6.000 3.232 1.931 3.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 102 PHE QD 1 113 ILE MG 6.000 . 6.000 2.365 1.833 3.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 113 ILE MG 1 139 ALA HA 6.000 . 6.000 3.838 2.869 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 102 PHE HB2 1 113 ILE MG 6.000 . 6.000 2.468 1.914 3.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 102 PHE QD 1 113 ILE MD 6.000 . 6.000 4.229 2.206 5.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 113 ILE MD 1 139 ALA HA 4.500 . 4.500 3.935 2.439 4.547 0.047 18 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 113 ILE MD 1 143 LEU MD1 4.500 . 4.500 2.699 1.782 4.292 0.018 2 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 113 ILE MD 1 143 LEU MD2 4.500 . 4.500 2.434 1.770 3.688 0.030 3 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 114 ILE MG 1 123 LYS HA 6.000 . 6.000 4.854 4.185 5.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 114 ILE MG 1 123 LYS HE2 6.000 . 6.000 5.891 5.055 6.083 0.083 10 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 114 ILE MG 1 123 LYS HD2 4.500 . 4.500 4.161 3.426 4.521 0.021 21 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 114 ILE MG 1 123 LYS HB3 3.500 . 3.500 2.703 1.928 3.060 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 114 ILE MD 1 123 LYS HE2 6.000 . 6.000 5.068 3.882 5.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 114 ILE MD 1 116 GLU HG3 . . 4.500 4.169 2.678 4.545 0.045 13 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 114 ILE MD 1 116 GLU HB2 6.000 . 6.000 4.835 3.318 5.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 114 ILE MD 1 116 GLU HB3 6.000 . 6.000 5.315 4.631 5.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 114 ILE MD 1 123 LYS HG3 6.000 . 6.000 3.123 1.800 4.156 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 114 ILE MD 1 123 LYS HG2 6.000 . 6.000 4.508 3.195 5.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 114 ILE MD 1 123 LYS HD2 6.000 . 6.000 2.877 1.835 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 114 ILE HG13 1 116 GLU HA 6.000 . 6.000 3.870 3.046 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 114 ILE MD 1 116 GLU HA 6.000 . 6.000 3.968 3.396 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 114 ILE HG13 1 116 GLU HG2 6.000 . 6.000 4.124 2.997 6.015 0.015 27 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 114 ILE HG13 1 116 GLU HG3 6.000 . 6.000 5.652 2.730 6.031 0.031 20 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 114 ILE MD 1 116 GLU HG2 4.500 . 4.500 2.995 2.117 4.113 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 119 ASN HA 1 120 PRO HD2 6.000 . 6.000 2.901 2.192 3.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 119 ASN HA 1 120 PRO HD3 6.000 . 6.000 2.065 1.803 2.362 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 119 ASN HA 1 120 PRO HG3 6.000 . 6.000 4.134 3.808 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 119 ASN HB3 1 122 TYR QD 6.000 . 6.000 4.553 2.969 5.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 119 ASN HA 1 120 PRO HB2 6.000 . 6.000 5.491 5.227 5.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 119 ASN HA 1 120 PRO HB3 6.000 . 6.000 5.091 4.663 5.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 119 ASN HA 1 120 PRO HG2 6.000 . 6.000 4.592 4.351 4.787 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 121 SER HB3 1 122 TYR QE 6.000 . 6.000 5.256 4.362 6.011 0.011 4 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 121 SER HB2 1 122 TYR QE 6.000 . 6.000 5.982 5.609 6.031 0.031 33 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 121 SER HB3 1 122 TYR QD 6.000 . 6.000 4.012 3.018 4.824 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 121 SER HB2 1 122 TYR QD 6.000 . 6.000 4.376 4.034 4.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 122 TYR HB3 1 125 PHE QD 6.000 . 6.000 3.419 2.767 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 96 TYR QD 1 122 TYR HB3 6.000 . 6.000 5.275 4.396 6.037 0.037 20 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 122 TYR HB3 1 125 PHE HB2 6.000 . 6.000 2.916 1.982 4.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 114 ILE HA 1 123 LYS HA 6.000 . 6.000 5.952 5.455 6.069 0.069 15 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 114 ILE MD 1 123 LYS HA 6.000 . 6.000 5.031 3.889 6.010 0.010 33 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 96 TYR QD 1 125 PHE HA 6.000 . 6.000 4.961 3.583 6.032 0.032 20 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 122 TYR HB3 1 125 PHE HB3 6.000 . 6.000 2.144 1.797 3.562 0.003 18 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 122 TYR HB2 1 125 PHE HB3 6.000 . 6.000 3.641 2.403 5.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 122 TYR HB2 1 125 PHE HB2 6.000 . 6.000 4.364 1.955 5.555 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 125 PHE QD 1 127 VAL HA 6.000 . 6.000 5.449 3.893 6.009 0.009 1 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 125 PHE QD 1 127 VAL MG2 4.500 . 4.500 3.957 2.295 4.601 0.101 24 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 127 VAL MG2 1 128 SER HA 6.000 . 6.000 4.852 3.971 5.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 127 VAL MG2 1 128 SER HB3 6.000 . 6.000 4.207 2.684 5.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 127 VAL MG1 1 128 SER HA 6.000 . 6.000 5.318 4.565 5.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 127 VAL MG1 1 128 SER HB3 6.000 . 6.000 4.943 3.194 6.006 0.006 11 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 129 ALA HA 1 132 VAL HB 6.000 . 6.000 4.200 3.837 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 128 SER HA 1 129 ALA MB 6.000 . 6.000 3.970 3.895 4.036 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 64 SER HA 1 129 ALA MB 6.000 . 6.000 4.363 3.287 4.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 128 SER HB2 1 129 ALA MB 6.000 . 6.000 5.173 4.421 5.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 67 ILE MD 1 129 ALA MB 4.500 . 4.500 2.670 1.871 4.525 0.025 2 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 67 ILE MG 1 129 ALA MB 6.000 . 6.000 4.810 4.047 5.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 136 MET H 1 137 LYS HA 6.000 . 6.000 4.960 4.761 5.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 130 GLU HB3 1 133 VAL MG1 6.000 . 6.000 4.249 3.937 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 130 GLU HB2 1 133 VAL MG1 6.000 . 6.000 4.490 3.555 5.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 131 GLN HA 1 134 GLN HG2 6.000 . 6.000 1.797 1.741 2.370 0.059 36 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 126 TYR HB3 1 132 VAL HA 6.000 . 6.000 4.863 3.064 6.021 0.021 38 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 67 ILE MD 1 132 VAL HA 6.000 . 6.000 5.880 5.361 6.040 0.040 17 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 100 ILE MD 1 132 VAL HA 6.000 . 6.000 5.029 3.489 6.056 0.056 22 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 100 ILE MG 1 132 VAL HA 6.000 . 6.000 5.570 4.654 6.072 0.072 33 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 132 VAL HB 1 136 MET H 6.000 . 6.000 5.612 5.119 6.075 0.075 36 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 129 ALA MB 1 132 VAL HB 6.000 . 6.000 5.292 4.632 5.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 67 ILE MD 1 132 VAL HB 6.000 . 6.000 5.055 4.231 5.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 61 PHE QD 1 132 VAL MG1 6.000 . 6.000 3.346 2.473 4.301 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 132 VAL MG1 1 136 MET H 6.000 . 6.000 5.764 5.158 6.032 0.032 4 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 61 PHE HZ 1 132 VAL MG1 6.000 . 6.000 5.535 4.098 6.056 0.056 38 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 100 ILE MD 1 132 VAL MG1 4.500 . 4.500 4.152 2.864 4.560 0.060 28 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 100 ILE MG 1 132 VAL MG1 6.000 . 6.000 4.658 3.525 5.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 132 VAL MG2 1 136 MET H 6.000 . 6.000 4.579 4.006 4.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 61 PHE QD 1 132 VAL MG2 6.000 . 6.000 3.241 1.980 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 132 VAL MG2 1 136 MET HA 6.000 . 6.000 5.644 4.577 6.064 0.064 30 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 132 VAL MG2 1 133 VAL HA 6.000 . 6.000 3.238 3.033 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 67 ILE MD 1 132 VAL MG2 4.500 . 4.500 2.822 2.053 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 100 ILE MD 1 132 VAL MG2 6.000 . 6.000 4.847 2.438 6.020 0.020 35 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 45 ILE MD 1 132 VAL MG2 6.000 . 6.000 4.364 2.456 5.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 67 ILE MG 1 132 VAL MG2 6.000 . 6.000 3.616 2.691 4.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 100 ILE MG 1 132 VAL MG2 6.000 . 6.000 5.040 2.504 6.109 0.109 1 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 133 VAL HA 1 136 MET H 6.000 . 6.000 3.245 3.010 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 67 ILE MD 1 133 VAL HA 6.000 . 6.000 3.578 2.638 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 133 VAL HB 1 136 MET H 6.000 . 6.000 5.494 5.301 5.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 133 VAL HB 1 134 GLN H 6.000 . 6.000 4.015 3.788 4.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 133 VAL MG1 1 136 MET H 4.500 . 4.500 4.619 4.569 4.674 0.174 36 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 133 VAL MG2 1 136 MET H 6.000 . 6.000 4.461 4.201 4.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 134 GLN HA 1 136 MET H 6.000 . 6.000 3.922 3.770 4.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 134 GLN HA 1 137 LYS HB2 4.500 . 4.500 4.290 1.893 4.598 0.098 6 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 133 VAL MG2 1 134 GLN HA 4.500 . 4.500 3.824 3.432 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 134 GLN HB3 1 136 MET H 6.000 . 6.000 5.536 5.159 5.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 134 GLN HB3 1 135 GLY H . . 4.500 4.064 3.561 4.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 134 GLN H 1 134 GLN HB3 . . 3.500 2.989 2.376 3.582 0.082 32 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 131 GLN HA 1 134 GLN HB3 6.000 . 6.000 3.895 2.669 4.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 133 VAL MG2 1 134 GLN HB3 6.000 . 6.000 4.975 4.537 5.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 134 GLN HG3 1 136 MET H 6.000 . 6.000 4.703 4.295 6.108 0.108 10 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 134 GLN HG3 1 135 GLY H 6.000 . 6.000 2.413 2.043 4.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 133 VAL MG2 1 134 GLN HG3 6.000 . 6.000 6.014 5.755 6.115 0.115 26 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 135 GLY HA2 1 136 MET H 6.000 . 6.000 3.455 3.405 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 135 GLY HA3 1 136 MET H . . 4.500 3.045 2.970 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 136 MET HA 1 138 GLU H 6.000 . 6.000 3.797 3.545 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 74 PHE HZ 1 136 MET HA 6.000 . 6.000 3.668 1.783 5.785 0.017 23 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 136 MET HA 1 139 ALA MB 6.000 . 6.000 3.354 2.830 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 70 LEU MD2 1 136 MET HA 6.000 . 6.000 5.974 5.371 6.058 0.058 11 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 32 LYS HA 1 32 LYS HE3 6.000 . 6.000 4.805 3.855 5.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 136 MET H 1 137 LYS HB2 6.000 . 6.000 5.652 3.768 6.010 0.010 34 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 136 MET H 1 137 LYS HG3 6.000 . 6.000 5.611 5.274 6.081 0.081 5 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 136 MET H 1 137 LYS HG2 6.000 . 6.000 3.970 3.587 5.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 70 LEU MD2 1 137 LYS HG2 6.000 . 6.000 4.903 3.175 5.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 70 LEU MD2 1 137 LYS HG3 6.000 . 6.000 5.129 4.182 6.006 0.006 18 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 136 MET H 1 137 LYS HD3 6.000 . 6.000 5.818 3.884 6.031 0.031 10 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 133 VAL MG2 1 137 LYS HE2 3.500 . 3.500 3.471 2.422 3.572 0.072 19 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 133 VAL MG2 1 137 LYS HE3 3.500 . 3.500 3.408 1.820 3.614 0.114 18 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 70 LEU MD2 1 137 LYS HE2 4.500 . 4.500 3.303 1.843 4.525 0.025 32 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 70 LEU MD2 1 137 LYS HE3 4.500 . 4.500 4.167 2.812 4.529 0.029 12 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 137 LYS H 1 138 GLU HA 6.000 . 6.000 5.109 5.006 5.309 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 34 GLU HA 1 37 ALA MB 6.000 . 6.000 3.101 2.704 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 137 LYS HB3 1 138 GLU HA 6.000 . 6.000 5.582 4.198 5.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 138 GLU H 1 138 GLU HB3 . . 3.500 3.103 2.453 3.506 0.006 1 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 138 GLU H 1 138 GLU HB2 . . 3.500 2.339 2.094 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 138 GLU HB3 1 139 ALA H . . 4.500 2.318 1.969 2.737 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 138 GLU HB2 1 139 ALA H 6.000 . 6.000 2.961 2.299 3.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 113 ILE MG 1 138 GLU HB3 6.000 . 6.000 5.072 3.630 5.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 113 ILE MG 1 138 GLU HB2 6.000 . 6.000 5.919 5.052 6.037 0.037 28 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 138 GLU HG2 1 139 ALA H 6.000 . 6.000 4.407 3.041 4.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 138 GLU HG3 1 139 ALA H 6.000 . 6.000 4.678 4.153 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 138 GLU H 1 138 GLU HG2 . . 4.500 4.232 3.525 4.527 0.027 8 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 138 GLU HG2 1 142 ARG HD2 6.000 . 6.000 5.261 3.547 6.021 0.021 8 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 138 GLU HG3 1 142 ARG HD2 6.000 . 6.000 5.883 4.407 6.018 0.018 40 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 67 ILE MG 1 129 ALA HA 6.000 . 6.000 5.926 5.178 6.062 0.062 20 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 139 ALA H 1 139 ALA MB . . 3.500 2.132 2.036 2.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 138 GLU H 1 139 ALA MB . . 4.500 4.079 3.871 4.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 74 PHE QD 1 139 ALA MB 4.500 . 4.500 4.432 3.953 4.572 0.072 26 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 138 GLU HB3 1 139 ALA MB 6.000 . 6.000 3.714 3.340 4.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 138 GLU HB2 1 139 ALA MB 6.000 . 6.000 4.505 3.876 5.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 139 ALA MB 1 143 LEU MD2 6.000 . 6.000 2.312 1.785 4.374 0.015 33 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 139 ALA MB 1 143 LEU MD1 4.500 . 4.500 3.916 3.196 4.518 0.018 26 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 138 GLU H 1 140 GLN HA 6.000 . 6.000 6.030 6.003 6.067 0.067 15 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 74 PHE QD 1 140 GLN HA 6.000 . 6.000 3.666 1.991 5.676 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 140 GLN HA 1 143 LEU HB3 6.000 . 6.000 4.419 3.225 5.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 138 GLU H 1 140 GLN HB3 6.000 . 6.000 5.128 4.771 5.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 138 GLU H 1 140 GLN HB2 6.000 . 6.000 5.483 3.863 6.083 0.083 7 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 74 PHE HZ 1 140 GLN HB2 6.000 . 6.000 5.645 4.638 6.043 0.043 1 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 74 PHE HZ 1 140 GLN HB3 6.000 . 6.000 4.868 2.919 6.029 0.029 10 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 137 LYS HA 1 140 GLN HB3 6.000 . 6.000 3.634 3.059 4.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 137 LYS HA 1 140 GLN HB2 6.000 . 6.000 3.799 1.913 4.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 136 MET H 1 140 GLN HG3 6.000 . 6.000 5.983 5.338 6.057 0.057 8 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 139 ALA H 1 140 GLN HG3 6.000 . 6.000 4.305 3.775 5.748 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 138 GLU H 1 140 GLN HG3 6.000 . 6.000 3.749 3.179 5.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 74 PHE QD 1 140 GLN HG3 6.000 . 6.000 5.228 3.480 6.085 0.085 28 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 142 ARG HG2 1 143 LEU MD2 6.000 . 6.000 5.346 3.168 6.044 0.044 11 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 142 ARG HG3 1 143 LEU MD2 6.000 . 6.000 4.454 1.887 5.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 141 GLU HG2 1 142 ARG HD2 6.000 . 6.000 5.662 4.454 6.053 0.053 4 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 141 GLU HG2 1 142 ARG HD3 6.000 . 6.000 5.932 5.255 6.027 0.027 36 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 113 ILE HG13 1 142 ARG HD2 6.000 . 6.000 5.290 2.220 6.034 0.034 40 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 113 ILE HG13 1 142 ARG HD3 6.000 . 6.000 5.154 2.986 6.004 0.004 37 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 113 ILE MD 1 142 ARG HD2 6.000 . 6.000 3.841 2.551 5.728 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 113 ILE MD 1 142 ARG HD3 6.000 . 6.000 3.631 2.130 5.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 142 ARG HD3 1 143 LEU MD1 6.000 . 6.000 4.986 3.343 6.030 0.030 40 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 142 ARG HD2 1 143 LEU MD1 6.000 . 6.000 5.624 3.942 6.031 0.031 8 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 142 ARG HD2 1 143 LEU MD2 6.000 . 6.000 4.560 2.648 6.035 0.035 28 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 142 ARG HD3 1 143 LEU MD2 6.000 . 6.000 4.444 2.011 6.016 0.016 1 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 104 ASP HA 1 143 LEU MD2 6.000 . 6.000 4.922 3.720 6.023 0.023 25 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 139 ALA HA 1 143 LEU MD2 6.000 . 6.000 3.643 2.078 5.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 41 PRO HD3 1 143 LEU MD2 6.000 . 6.000 4.975 3.790 6.028 0.028 35 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 143 LEU MD1 1 146 ASP H 6.000 . 6.000 5.508 3.818 6.011 0.011 8 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 102 PHE HA 1 143 LEU MD1 6.000 . 6.000 5.718 4.791 6.025 0.025 3 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 104 ASP HA 1 143 LEU MD1 6.000 . 6.000 3.500 1.995 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 139 ALA HA 1 143 LEU MD1 6.000 . 6.000 5.110 4.442 5.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 40 LEU HA 1 144 THR HA 6.000 . 6.000 3.476 2.749 4.157 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 41 PRO HD3 1 144 THR HA 6.000 . 6.000 2.342 1.883 3.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 140 GLN HA 1 144 THR HA 6.000 . 6.000 5.312 4.239 6.008 0.008 40 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 40 LEU MD1 1 144 THR HA 6.000 . 6.000 5.934 5.252 6.061 0.061 4 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 40 LEU HA 1 144 THR MG 6.000 . 6.000 3.401 1.934 5.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 143 LEU HA 1 144 THR MG 6.000 . 6.000 5.106 4.178 5.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 144 THR MG 1 145 GLY HA3 6.000 . 6.000 5.343 3.603 5.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 140 GLN HA 1 144 THR MG 4.500 . 4.500 2.827 1.855 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 40 LEU MD1 1 144 THR MG 6.000 . 6.000 4.962 3.577 6.039 0.039 31 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 146 ASP HA 1 148 PHE HZ 6.000 . 6.000 3.929 3.457 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 146 ASP HA 1 148 PHE QE 6.000 . 6.000 2.190 1.982 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 145 GLY HA3 1 146 ASP HA 6.000 . 6.000 4.801 4.375 5.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 146 ASP HA 1 148 PHE HB2 6.000 . 6.000 5.996 5.865 6.040 0.040 29 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 146 ASP HA 1 149 ARG HB2 6.000 . 6.000 4.703 3.642 6.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 145 GLY HA3 1 146 ASP HB3 6.000 . 6.000 5.547 4.696 6.017 0.017 38 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 146 ASP HB3 1 149 ARG HG2 6.000 . 6.000 5.245 3.710 6.005 0.005 38 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 146 ASP HB3 1 147 ALA MB 6.000 . 6.000 5.330 4.413 5.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 146 ASP HB3 1 147 ALA HA 6.000 . 6.000 4.778 3.963 5.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 147 ALA HA 1 149 ARG HB2 6.000 . 6.000 4.904 4.079 6.000 0.000 37 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 147 ALA MB 1 148 PHE QE 6.000 . 6.000 5.619 5.278 5.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 143 LEU HB3 1 148 PHE HB3 6.000 . 6.000 4.697 3.679 5.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 143 LEU HB3 1 148 PHE HB2 6.000 . 6.000 5.911 5.033 6.032 0.032 24 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 148 PHE HB2 1 149 ARG HG2 6.000 . 6.000 5.168 4.694 5.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 148 PHE HB3 1 149 ARG HG2 6.000 . 6.000 5.761 5.294 6.009 0.009 13 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 148 PHE HZ 1 149 ARG HA 6.000 . 6.000 5.648 4.998 6.004 0.004 6 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 148 PHE HB3 1 149 ARG HA 6.000 . 6.000 5.634 5.549 5.708 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 146 ASP HA 1 149 ARG HB3 6.000 . 6.000 5.912 5.165 6.025 0.025 13 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 146 ASP HB3 1 149 ARG HG3 6.000 . 6.000 3.883 2.770 5.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 146 ASP HA 1 149 ARG HD2 6.000 . 6.000 4.936 3.950 6.001 0.001 25 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 146 ASP HB3 1 149 ARG HD2 6.000 . 6.000 4.613 2.718 6.013 0.013 33 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 86 LYS HB3 1 86 LYS HG2 2.500 . 2.500 2.299 2.210 2.501 0.001 17 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 86 LYS HA 1 86 LYS HG2 4.500 . 4.500 3.272 2.333 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 86 LYS HA 1 86 LYS HG3 4.500 . 4.500 2.581 2.030 3.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 86 LYS HA 1 86 LYS HE2 6.000 . 6.000 5.020 3.585 6.004 0.004 31 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 86 LYS HA 1 86 LYS HD3 4.500 . 4.500 4.159 2.517 4.523 0.023 39 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 88 GLU HB2 1 88 GLU HG2 2.500 . 2.500 2.492 2.388 2.560 0.060 7 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 88 GLU HA 1 88 GLU HG2 3.500 . 3.500 3.180 2.485 3.545 0.045 7 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 27 THR HA 1 27 THR MG . . 3.500 2.441 2.012 3.218 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 28 LEU HA 1 28 LEU MD1 4.500 . 4.500 3.524 2.607 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 28 LEU HA 1 28 LEU MD2 4.500 . 4.500 3.131 1.925 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 28 LEU MD1 1 28 LEU MD2 2.500 . 2.500 2.027 1.909 2.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 29 GLU HA 1 29 GLU HG2 . . 3.500 2.439 2.025 3.525 0.025 35 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 33 LYS HA 1 33 LYS HD3 . . 4.500 4.345 3.845 4.527 0.027 34 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 33 LYS HA 1 33 LYS HG3 4.500 . 4.500 3.158 2.453 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 33 LYS HA 1 36 ALA MB . . 3.500 3.184 2.495 3.510 0.010 17 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 33 LYS HB3 1 33 LYS HD3 3.500 . 3.500 2.322 1.951 3.501 0.001 18 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 34 GLU HA 1 34 GLU HG2 3.500 . 3.500 3.510 3.483 3.549 0.049 24 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 40 LEU HB3 1 40 LEU MD2 . . 3.500 2.173 1.961 3.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 40 LEU HB3 1 40 LEU MD1 . . 3.500 3.058 2.075 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 40 LEU HA 1 40 LEU MD1 4.500 . 4.500 3.549 3.303 3.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 8 MET HB2 1 8 MET ME 2.500 . 2.500 2.312 1.976 2.504 0.004 21 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 19 PHE HA 1 19 PHE QE 6.000 . 6.000 4.952 4.048 5.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 17 LYS HA 1 17 LYS HE2 6.000 . 6.000 4.520 1.996 6.004 0.004 14 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 17 LYS HA 1 17 LYS HE3 6.000 . 6.000 4.509 1.998 5.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 73 ASN HA 1 140 GLN HE22 6.000 . 6.000 5.424 3.316 6.033 0.033 3 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 73 ASN HA 1 74 PHE QD 6.000 . 6.000 4.622 3.717 5.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 73 ASN HB2 1 74 PHE QD 6.000 . 6.000 3.002 1.907 3.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 73 ASN HB3 1 74 PHE QD 6.000 . 6.000 3.757 2.179 5.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 40 LEU MD2 1 73 ASN HB3 6.000 . 6.000 5.217 2.940 6.007 0.007 12 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 40 LEU MD2 1 73 ASN HB2 6.000 . 6.000 5.179 4.062 6.046 0.046 14 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 42 LEU HA 1 75 VAL HB 6.000 . 6.000 4.643 3.291 5.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 40 LEU MD2 1 75 VAL HB 6.000 . 6.000 3.545 2.524 5.154 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 75 VAL H 1 75 VAL MG1 . . 4.500 2.411 1.945 2.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 74 PHE H 1 75 VAL MG1 6.000 . 6.000 5.501 4.022 6.046 0.046 29 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 42 LEU HA 1 75 VAL MG1 6.000 . 6.000 2.646 1.801 5.319 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 74 PHE HA 1 75 VAL MG1 6.000 . 6.000 3.966 3.204 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 35 ALA HA 1 75 VAL MG1 4.500 . 4.500 3.857 3.285 4.366 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 31 GLY HA2 1 75 VAL MG1 6.000 . 6.000 2.553 1.897 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 31 GLY HA3 1 75 VAL MG1 6.000 . 6.000 2.531 1.864 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 34 GLU HG3 1 75 VAL MG1 6.000 . 6.000 5.838 4.643 6.025 0.025 35 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 31 GLY H 1 75 VAL MG2 6.000 . 6.000 3.869 3.257 4.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 42 LEU HA 1 75 VAL MG2 6.000 . 6.000 4.476 2.465 5.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 31 GLY HA2 1 75 VAL MG2 6.000 . 6.000 2.084 1.816 2.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 31 GLY HA3 1 75 VAL MG2 6.000 . 6.000 2.450 1.841 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 26 ARG HD2 1 75 VAL MG2 6.000 . 6.000 5.333 1.960 6.138 0.138 8 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 26 ARG HD3 1 75 VAL MG2 6.000 . 6.000 5.359 2.214 6.175 0.175 7 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 26 ARG HG3 1 75 VAL MG2 4.500 . 4.500 4.297 2.674 4.752 0.252 29 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 26 ARG HB2 1 75 VAL MG2 4.500 . 4.500 3.920 1.851 4.851 0.351 31 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 25 TRP HE3 1 77 VAL HA 6.000 . 6.000 5.730 4.744 6.163 0.163 29 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 77 VAL HB 1 79 LEU H 6.000 . 6.000 5.701 4.996 6.075 0.075 1 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 77 VAL MG1 1 78 ASN H 6.000 . 6.000 3.483 2.190 4.318 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 77 VAL MG1 1 79 LEU H 6.000 . 6.000 4.087 3.589 5.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 77 VAL MG1 1 78 ASN HA 6.000 . 6.000 4.052 3.348 5.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 27 THR HA 1 77 VAL MG1 6.000 . 6.000 5.181 3.016 6.057 0.057 24 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 28 LEU HA 1 77 VAL MG1 6.000 . 6.000 3.408 1.879 5.698 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 77 VAL MG2 1 78 ASN H 6.000 . 6.000 4.083 3.325 4.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 77 VAL MG2 1 79 LEU H 6.000 . 6.000 6.116 6.014 6.231 0.231 24 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 28 LEU HA 1 77 VAL MG2 6.000 . 6.000 2.490 1.799 4.031 0.001 16 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 31 GLY HA2 1 77 VAL MG2 6.000 . 6.000 4.748 3.823 5.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 31 GLY HA3 1 77 VAL MG2 6.000 . 6.000 3.443 2.495 4.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 77 VAL HA 1 78 ASN HA 6.000 . 6.000 4.458 4.356 4.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 45 ILE HB 1 78 ASN HA 6.000 . 6.000 3.495 2.429 5.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 45 ILE MG 1 78 ASN HA 6.000 . 6.000 3.590 1.808 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 45 ILE MD 1 78 ASN HA 6.000 . 6.000 4.868 3.134 5.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 79 LEU MD1 1 83 GLU HG3 6.000 . 6.000 4.494 1.976 5.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 79 LEU MD2 1 85 PRO HD3 4.500 . 4.500 3.252 1.969 4.522 0.022 23 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 79 LEU MD2 1 83 GLU HA 6.000 . 6.000 5.331 2.535 6.021 0.021 13 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 79 LEU MD2 1 85 PRO HD2 6.000 . 6.000 3.903 1.969 6.000 0.000 34 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 79 LEU MD2 1 85 PRO HB3 6.000 . 6.000 4.290 2.389 5.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 80 GLU HG3 1 81 ASP HB3 6.000 . 6.000 5.603 4.100 6.006 0.006 5 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 80 GLU HG2 1 81 ASP HB3 6.000 . 6.000 4.587 3.328 6.003 0.003 14 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 79 LEU MD1 1 83 GLU HA 6.000 . 6.000 4.487 1.977 6.030 0.030 5 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 79 LEU MD1 1 83 GLU HB3 6.000 . 6.000 3.208 1.857 6.018 0.018 37 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 79 LEU MD1 1 83 GLU HB2 6.000 . 6.000 3.332 1.929 6.050 0.050 37 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 79 LEU MD1 1 83 GLU HG2 6.000 . 6.000 4.405 2.459 6.006 0.006 39 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 79 LEU MD2 1 85 PRO HA 6.000 . 6.000 5.266 3.718 6.021 0.021 19 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 85 PRO HB3 1 87 ASP HB3 6.000 . 6.000 5.439 4.160 6.008 0.008 34 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 85 PRO HB3 1 87 ASP HB2 6.000 . 6.000 4.919 3.634 6.005 0.005 20 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 85 PRO HB2 1 87 ASP HB2 6.000 . 6.000 3.992 2.655 6.006 0.006 5 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 85 PRO HB2 1 87 ASP HB3 6.000 . 6.000 4.487 3.682 6.008 0.008 21 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 79 LEU MD2 1 85 PRO HB2 6.000 . 6.000 4.793 3.342 6.005 0.005 10 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 87 ASP HA 1 89 ASP HB2 6.000 . 6.000 5.485 5.036 5.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 87 ASP HB3 1 90 PHE QD 6.000 . 6.000 4.912 2.827 5.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 87 ASP HB2 1 90 PHE QD 6.000 . 6.000 5.234 3.896 6.002 0.002 26 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 88 GLU HA 1 91 SER HB2 6.000 . 6.000 4.590 2.244 6.015 0.015 25 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 88 GLU HA 1 89 ASP HA 6.000 . 6.000 4.902 4.841 4.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 89 ASP HB3 1 109 VAL HB 6.000 . 6.000 3.760 2.090 5.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 89 ASP HB2 1 109 VAL HB 6.000 . 6.000 4.281 3.528 5.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 89 ASP HB3 1 109 VAL MG1 6.000 . 6.000 3.892 2.420 5.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 89 ASP HB2 1 109 VAL MG1 6.000 . 6.000 4.273 3.175 5.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 89 ASP HB3 1 109 VAL MG2 6.000 . 6.000 3.467 1.893 6.000 0.000 7 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 89 ASP HB2 1 109 VAL MG2 6.000 . 6.000 4.379 3.359 6.016 0.016 7 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 46 ILE MD 1 90 PHE HA 6.000 . 6.000 1.973 1.785 2.866 0.015 31 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 90 PHE HA 1 101 LEU MD2 6.000 . 6.000 2.726 2.060 3.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 90 PHE HA 1 101 LEU MD1 6.000 . 6.000 3.243 2.236 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 90 PHE HA 1 109 VAL MG2 6.000 . 6.000 4.835 3.912 5.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 90 PHE HA 1 101 LEU HB3 6.000 . 6.000 5.834 5.410 6.039 0.039 25 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 46 ILE MD 1 90 PHE HB2 6.000 . 6.000 3.020 2.244 4.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 46 ILE MD 1 90 PHE HB3 6.000 . 6.000 2.731 1.842 3.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 91 SER HB2 1 95 GLY HA3 6.000 . 6.000 5.915 4.624 6.043 0.043 36 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 91 SER HB3 1 95 GLY HA3 6.000 . 6.000 5.351 4.242 6.028 0.028 38 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 88 GLU HA 1 91 SER HB3 6.000 . 6.000 5.569 3.987 6.018 0.018 39 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 91 SER HB2 1 92 PRO HD3 6.000 . 6.000 4.715 3.866 5.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 91 SER HB3 1 92 PRO HD2 6.000 . 6.000 4.259 2.099 5.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 92 PRO HB3 1 101 LEU MD1 6.000 . 6.000 5.362 3.377 6.024 0.024 3 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 92 PRO HB2 1 101 LEU MD1 6.000 . 6.000 5.756 4.755 6.060 0.060 22 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 92 PRO HG2 1 101 LEU MD1 6.000 . 6.000 4.388 3.389 6.048 0.048 26 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 91 SER HA 1 92 PRO HD3 6.000 . 6.000 2.458 1.940 3.094 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 92 PRO HD3 1 101 LEU MD1 6.000 . 6.000 3.251 2.185 4.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 9 SER HA 1 10 ASP HB3 6.000 . 6.000 5.214 4.412 5.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 15 LEU HB2 1 25 TRP HD1 6.000 . 6.000 3.980 1.970 5.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 15 LEU HB3 1 25 TRP HD1 6.000 . 6.000 3.851 1.836 6.018 0.018 1 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 16 GLY HA3 1 25 TRP HD1 6.000 . 6.000 3.258 2.299 6.049 0.049 2 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 16 GLY HA2 1 25 TRP HD1 6.000 . 6.000 4.218 3.063 5.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 18 GLY HA3 1 58 LYS HD3 6.000 . 6.000 4.758 2.900 6.005 0.005 19 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 18 GLY HA2 1 58 LYS HD3 6.000 . 6.000 5.571 3.386 6.034 0.034 16 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 19 PHE HA 1 61 PHE QD 6.000 . 6.000 4.783 3.783 6.026 0.026 26 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 20 GLY HA2 1 61 PHE H 6.000 . 6.000 6.074 6.030 6.133 0.133 10 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 21 ASP HA 1 25 TRP HD1 6.000 . 6.000 4.815 3.568 6.094 0.094 2 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 23 ILE MG 1 61 PHE QD 6.000 . 6.000 4.802 3.859 5.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 26 ARG HA 1 27 THR MG 6.000 . 6.000 4.511 3.726 5.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 27 THR MG 1 30 ASP HB2 6.000 . 6.000 3.128 1.791 6.002 0.009 26 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 27 THR MG 1 30 ASP HB3 6.000 . 6.000 4.068 2.080 6.005 0.005 34 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 15 LEU MD2 1 27 THR MG 6.000 . 6.000 4.520 2.861 6.020 0.020 17 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 15 LEU MD1 1 27 THR MG 6.000 . 6.000 5.000 2.863 6.008 0.008 8 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 28 LEU MD2 1 33 LYS H 6.000 . 6.000 5.582 4.426 6.008 0.008 13 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 30 ASP HA 1 33 LYS HB3 6.000 . 6.000 3.165 2.251 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 30 ASP HA 1 33 LYS HG2 6.000 . 6.000 4.821 1.977 6.004 0.004 13 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 30 ASP HA 1 33 LYS HG3 6.000 . 6.000 4.703 2.104 6.002 0.002 24 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 30 ASP HA 1 33 LYS HD3 6.000 . 6.000 3.748 2.655 4.770 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 30 ASP HB3 1 33 LYS HD3 6.000 . 6.000 5.632 4.727 6.009 0.009 34 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 35 ALA HA 1 40 LEU H 6.000 . 6.000 2.740 1.984 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 34 GLU HG3 1 35 ALA HA 6.000 . 6.000 4.749 4.206 5.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 34 GLU HG2 1 35 ALA HA 6.000 . 6.000 4.155 3.539 4.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 35 ALA HA 1 40 LEU MD1 6.000 . 6.000 2.649 1.899 4.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 35 ALA MB 1 75 VAL H 6.000 . 6.000 4.531 3.836 5.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 35 ALA MB 1 40 LEU H 6.000 . 6.000 3.337 2.739 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 35 ALA MB 1 42 LEU HA 6.000 . 6.000 4.176 3.385 5.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 35 ALA MB 1 105 PRO HA 4.500 . 4.500 3.140 2.769 3.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 35 ALA MB 1 105 PRO HB2 6.000 . 6.000 3.381 2.241 4.015 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 32 LYS HB2 1 35 ALA MB 6.000 . 6.000 4.623 3.906 5.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 35 ALA MB 1 42 LEU MD2 3.500 . 3.500 2.713 1.821 3.557 0.057 37 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 35 ALA MB 1 42 LEU MD1 4.500 . 4.500 3.261 1.782 4.517 0.018 16 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 36 ALA HA 1 105 PRO HB2 6.000 . 6.000 4.382 3.578 5.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 35 ALA MB 1 36 ALA HA 6.000 . 6.000 3.881 3.840 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 37 ALA MB 1 38 SER HB3 6.000 . 6.000 4.742 3.421 5.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 37 ALA MB 1 38 SER HB2 6.000 . 6.000 3.961 3.328 4.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 38 SER HB3 1 40 LEU HG 6.000 . 6.000 3.846 2.313 6.004 0.004 30 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 38 SER HB2 1 40 LEU HG 6.000 . 6.000 3.571 2.269 5.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 38 SER HB3 1 40 LEU MD2 6.000 . 6.000 3.311 2.325 5.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 38 SER HB2 1 40 LEU MD2 6.000 . 6.000 3.183 1.975 5.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 40 LEU HB3 1 74 PHE H 6.000 . 6.000 5.447 4.821 6.085 0.085 20 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 40 LEU HG 1 74 PHE H 6.000 . 6.000 5.897 3.054 6.117 0.117 33 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 40 LEU MD1 1 75 VAL H 6.000 . 6.000 2.917 1.790 5.922 0.010 23 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 40 LEU MD1 1 74 PHE H . . 4.500 3.919 2.973 4.556 0.056 11 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 40 LEU MD1 1 75 VAL HA 6.000 . 6.000 3.831 3.056 6.085 0.085 11 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 40 LEU MD1 1 41 PRO HD3 6.000 . 6.000 4.481 3.115 5.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 40 LEU MD2 1 75 VAL H 6.000 . 6.000 4.086 2.429 5.359 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 40 LEU MD2 1 74 PHE H 6.000 . 6.000 3.454 2.822 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 40 LEU MD2 1 75 VAL HA 4.500 . 4.500 4.336 3.743 4.575 0.075 12 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 41 PRO HB3 1 74 PHE QD 6.000 . 6.000 5.358 3.908 6.050 0.050 14 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 41 PRO HB3 1 143 LEU MD1 6.000 . 6.000 3.049 1.834 4.088 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 42 LEU HA 1 75 VAL H . . 4.500 2.691 1.794 3.863 0.006 20 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 42 LEU HB3 1 43 MET H 6.000 . 6.000 3.200 2.598 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 42 LEU HB2 1 43 MET H . . 4.500 3.718 2.379 4.526 0.026 7 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 42 LEU MD1 1 103 LEU H 6.000 . 6.000 5.512 4.745 6.086 0.086 22 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 42 LEU MD1 1 43 MET H . . 4.500 4.261 2.473 4.575 0.075 40 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 31 GLY HA2 1 42 LEU MD1 6.000 . 6.000 5.167 3.459 6.014 0.014 1 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 42 LEU MD2 1 43 MET H 6.000 . 6.000 4.157 2.343 5.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 43 MET HA 1 44 VAL HB 6.000 . 6.000 4.709 4.005 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 44 VAL HB 1 101 LEU HB3 6.000 . 6.000 4.411 2.315 5.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 44 VAL MG1 1 46 ILE H 6.000 . 6.000 3.833 2.645 4.980 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 44 VAL MG1 1 79 LEU H 6.000 . 6.000 3.843 3.141 6.056 0.056 18 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 44 VAL H 1 44 VAL MG1 . . 4.500 3.667 2.152 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 44 VAL MG1 1 101 LEU MD1 6.000 . 6.000 3.303 1.882 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 44 VAL MG2 1 79 LEU H 6.000 . 6.000 5.364 3.606 6.047 0.047 34 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 44 VAL H 1 44 VAL MG2 . . 4.500 2.550 1.922 3.872 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 44 VAL MG2 1 102 PHE HA 6.000 . 6.000 4.419 3.213 6.112 0.112 18 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 44 VAL MG2 1 101 LEU HA 6.000 . 6.000 5.921 5.339 6.224 0.224 36 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 44 VAL MG2 1 77 VAL HB 4.500 . 4.500 2.646 1.811 4.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 44 VAL MG2 1 77 VAL MG1 2.500 . 2.500 2.395 1.787 2.609 0.109 12 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 44 VAL MG2 1 101 LEU MD1 6.000 . 6.000 4.505 2.747 5.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 44 VAL MG2 1 109 VAL MG2 6.000 . 6.000 2.808 1.795 4.381 0.005 26 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 45 ILE HB 1 47 HIS HD2 6.000 . 6.000 5.199 3.467 6.112 0.112 24 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 45 ILE HB 1 78 ASN HB3 6.000 . 6.000 4.967 3.405 6.104 0.104 34 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 45 ILE HB 1 78 ASN HB2 6.000 . 6.000 3.437 1.775 4.476 0.025 9 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 45 ILE HG13 1 100 ILE HA 6.000 . 6.000 4.213 1.932 5.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 45 ILE HG12 1 100 ILE HA 6.000 . 6.000 3.719 2.665 5.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 100 ILE MG 1 101 LEU H 6.000 . 6.000 3.083 1.797 4.361 0.003 13 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 100 ILE MG 1 126 TYR QD 6.000 . 6.000 2.719 1.794 3.832 0.006 34 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 45 ILE MG 1 46 ILE H 6.000 . 6.000 3.264 2.163 4.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 45 ILE MG 1 47 HIS HD2 6.000 . 6.000 3.816 2.784 5.260 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 19 PHE QD 1 45 ILE MG 6.000 . 6.000 4.691 2.159 6.055 0.055 14 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 19 PHE HZ 1 45 ILE MG 6.000 . 6.000 4.282 2.078 6.023 0.023 17 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 19 PHE QE 1 45 ILE MG 6.000 . 6.000 3.566 1.779 4.759 0.021 18 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 45 ILE MD 1 46 ILE H 6.000 . 6.000 5.018 3.145 5.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 45 ILE MD 1 61 PHE QD 6.000 . 6.000 5.071 3.849 5.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 25 TRP HH2 1 45 ILE MD 6.000 . 6.000 3.535 2.752 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 25 TRP HZ3 1 45 ILE MD 6.000 . 6.000 2.268 1.808 3.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 19 PHE QE 1 45 ILE MD 6.000 . 6.000 3.963 1.836 6.017 0.017 17 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 45 ILE MD 1 100 ILE HG12 6.000 . 6.000 3.666 1.822 5.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 45 ILE MD 1 100 ILE MD 6.000 . 6.000 3.362 1.778 4.458 0.022 24 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 23 ILE MG 1 45 ILE MD 6.000 . 6.000 4.387 3.040 6.050 0.050 28 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 46 ILE H 1 46 ILE MG . . 4.500 3.878 3.800 3.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 46 ILE MG 1 99 ARG H 6.000 . 6.000 4.400 3.832 4.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 46 ILE MG 1 85 PRO HD3 6.000 . 6.000 4.935 3.208 6.026 0.026 26 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 46 ILE H 1 46 ILE MD . . 4.500 3.160 2.762 3.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 46 ILE MD 1 90 PHE QE 6.000 . 6.000 5.370 2.828 6.091 0.091 31 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 46 ILE MD 1 90 PHE QD 6.000 . 6.000 3.711 1.843 4.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 152 HIS HA 1 152 HIS HB3 2.500 . 2.500 2.479 2.369 2.597 0.097 29 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 152 HIS HA 1 152 HIS HE1 6.000 . 6.000 5.418 4.761 6.103 0.103 21 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 153 LEU HA 1 153 LEU MD1 4.500 . 4.500 3.122 2.067 4.086 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 153 LEU HA 1 153 LEU MD2 4.500 . 4.500 3.180 1.958 3.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 153 LEU HA 1 153 LEU HG 4.500 . 4.500 3.004 2.089 4.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 156 GLU HB2 1 156 GLU HG2 2.500 . 2.500 2.489 2.441 2.504 0.004 1 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 84 GLU HA 1 85 PRO HD2 6.000 . 6.000 2.567 1.938 4.386 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 79 LEU MD1 1 84 GLU HA 6.000 . 6.000 4.285 1.838 6.035 0.035 37 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 79 LEU MD2 1 84 GLU HA 6.000 . 6.000 5.025 2.318 6.061 0.061 23 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 35 ALA MB 1 75 VAL MG1 3.500 . 3.500 2.420 1.789 3.524 0.024 23 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 39 GLY HA2 1 105 PRO HB2 6.000 . 6.000 4.418 3.816 4.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 39 GLY HA3 1 105 PRO HB2 6.000 . 6.000 5.875 5.219 6.010 0.010 39 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 39 GLY HA3 1 105 PRO HB3 6.000 . 6.000 5.629 5.235 6.009 0.009 24 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 39 GLY HA2 1 105 PRO HB3 6.000 . 6.000 4.210 3.675 4.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 39 GLY HA2 1 105 PRO HG2 6.000 . 6.000 4.684 3.696 5.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 39 GLY HA3 1 105 PRO HG2 6.000 . 6.000 5.625 4.660 6.026 0.026 11 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 39 GLY HA2 1 105 PRO HG3 6.000 . 6.000 4.456 3.811 5.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 39 GLY HA3 1 105 PRO HG3 6.000 . 6.000 5.346 4.774 6.018 0.018 14 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 39 GLY HA3 1 105 PRO HG2 6.000 . 6.000 5.425 4.564 5.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 39 GLY HA3 1 105 PRO HG3 6.000 . 6.000 5.193 4.677 5.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 27 THR HA 1 77 VAL MG2 6.000 . 6.000 4.602 1.898 6.076 0.076 35 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 26 ARG HB3 1 30 ASP HB3 6.000 . 6.000 5.075 1.913 6.031 0.031 26 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 26 ARG HB3 1 30 ASP HB2 6.000 . 6.000 5.463 3.371 6.017 0.017 13 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 48 LYS HA 1 80 GLU HA 6.000 . 6.000 4.701 2.716 5.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 48 LYS HE2 1 80 GLU HA 6.000 . 6.000 5.299 2.626 6.136 0.136 15 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 48 LYS HA 1 80 GLU HG3 6.000 . 6.000 4.915 3.174 6.021 0.021 24 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 48 LYS HA 1 80 GLU HG2 6.000 . 6.000 4.421 3.038 6.008 0.008 7 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 48 LYS HA 1 81 ASP HA 6.000 . 6.000 5.294 3.945 6.015 0.015 5 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 47 HIS HD2 1 78 ASN HA 6.000 . 6.000 4.674 4.158 5.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 97 ILE HG12 1 98 PRO HA 6.000 . 6.000 5.849 5.085 6.122 0.122 5 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 97 ILE HG13 1 98 PRO HA 6.000 . 6.000 5.587 5.137 6.251 0.251 11 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 48 LYS HB3 1 97 ILE MD 6.000 . 6.000 3.379 2.220 4.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 48 LYS HB2 1 97 ILE MD 4.500 . 4.500 4.236 2.884 4.558 0.058 11 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 48 LYS HB3 1 97 ILE HG13 6.000 . 6.000 4.435 3.614 5.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 48 LYS HB3 1 97 ILE HG12 6.000 . 6.000 4.567 1.975 6.005 0.005 39 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 53 ALA MB 1 125 PHE HA 6.000 . 6.000 3.919 2.627 5.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 96 TYR QE 1 125 PHE HA 6.000 . 6.000 4.396 1.979 5.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 121 SER HB3 1 122 TYR HB3 6.000 . 6.000 5.952 3.797 6.029 0.029 32 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 121 SER HB3 1 122 TYR HB2 6.000 . 6.000 4.525 4.327 5.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 119 ASN HB2 1 122 TYR HB2 6.000 . 6.000 3.862 1.957 6.081 0.081 10 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 119 ASN HB3 1 122 TYR HB2 6.000 . 6.000 3.865 1.946 6.032 0.032 10 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 119 ASN HB2 1 122 TYR QD 6.000 . 6.000 4.561 3.147 5.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 125 PHE QD 1 127 VAL MG1 4.500 . 4.500 3.246 2.127 4.292 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 125 PHE HZ 1 127 VAL MG1 4.500 . 4.500 3.120 2.079 4.533 0.033 24 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 125 PHE QE 1 127 VAL MG1 4.500 . 4.500 2.365 1.821 3.117 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 127 VAL MG1 1 128 SER H 4.500 . 4.500 4.043 3.598 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 125 PHE HZ 1 127 VAL MG2 4.500 . 4.500 4.115 2.410 4.519 0.019 16 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 125 PHE QE 1 127 VAL MG2 4.500 . 4.500 3.128 2.301 3.901 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 127 VAL MG2 1 128 SER H 6.000 . 6.000 3.939 1.938 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 125 PHE QE 1 127 VAL HA 6.000 . 6.000 4.644 3.493 5.306 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 125 PHE HZ 1 127 VAL HA 6.000 . 6.000 5.110 4.143 6.002 0.002 10 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 127 VAL HA 1 128 SER H . . 4.500 2.402 2.108 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 40 LEU H 1 105 PRO HB3 6.000 . 6.000 4.217 3.248 4.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 40 LEU H 1 105 PRO HB2 6.000 . 6.000 5.344 4.531 6.008 0.008 25 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 36 ALA MB 1 105 PRO HB2 6.000 . 6.000 5.140 4.339 6.003 0.003 7 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 36 ALA MB 1 105 PRO HB3 6.000 . 6.000 5.576 4.744 6.008 0.008 17 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 104 ASP HA 1 105 PRO HD3 6.000 . 6.000 2.250 1.941 2.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 104 ASP HA 1 105 PRO HD2 6.000 . 6.000 2.423 1.870 3.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 104 ASP HB2 1 105 PRO HD3 6.000 . 6.000 4.646 3.359 5.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 35 ALA HA 1 40 LEU HB3 6.000 . 6.000 4.672 3.058 5.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 35 ALA HA 1 40 LEU HG 6.000 . 6.000 2.676 1.844 5.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 35 ALA MB 1 105 PRO HB3 2.500 . 2.500 2.376 1.936 2.527 0.027 23 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 36 ALA MB 1 106 SER HA 6.000 . 6.000 5.707 4.505 6.027 0.027 36 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 34 GLU HG3 1 36 ALA MB 6.000 . 6.000 6.008 5.952 6.030 0.030 24 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 104 ASP HB2 1 143 LEU MD1 6.000 . 6.000 5.086 3.543 6.016 0.016 11 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 104 ASP HB3 1 143 LEU MD1 6.000 . 6.000 5.277 3.159 6.029 0.029 15 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 45 ILE HA 1 100 ILE HB 6.000 . 6.000 3.720 1.860 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 46 ILE H 1 100 ILE MG 6.000 . 6.000 3.907 2.416 5.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 100 ILE MD 1 126 TYR HB3 6.000 . 6.000 3.670 2.104 6.058 0.058 1 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 122 TYR HB2 1 125 PHE QD 6.000 . 6.000 4.230 3.393 5.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 96 TYR QD 1 122 TYR HB2 6.000 . 6.000 5.884 5.170 6.085 0.085 38 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 120 PRO HA 1 123 LYS HA 6.000 . 6.000 5.443 4.770 6.002 0.002 37 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 93 ASP HB3 1 123 LYS HB3 6.000 . 6.000 5.775 4.410 6.054 0.054 26 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 120 PRO HA 1 123 LYS HG3 6.000 . 6.000 5.292 4.322 6.011 0.011 32 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 120 PRO HA 1 123 LYS HG2 6.000 . 6.000 3.928 3.136 4.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 114 ILE HG12 1 123 LYS HG2 6.000 . 6.000 5.266 4.322 5.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 114 ILE HG12 1 123 LYS HG3 6.000 . 6.000 4.136 3.493 4.798 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 114 ILE MG 1 123 LYS HG2 6.000 . 6.000 4.641 3.923 5.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 114 ILE MG 1 123 LYS HG3 6.000 . 6.000 3.343 2.578 3.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 114 ILE HG12 1 123 LYS HD3 3.500 . 3.500 3.043 2.166 3.547 0.047 12 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 114 ILE HG12 1 123 LYS HD2 6.000 . 6.000 3.195 2.182 3.956 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 114 ILE MG 1 123 LYS HD3 4.500 . 4.500 4.173 3.289 4.517 0.017 22 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 147 ALA MB 1 148 PHE HB2 6.000 . 6.000 5.526 5.254 5.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 147 ALA MB 1 148 PHE HB3 6.000 . 6.000 4.437 4.076 4.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 143 LEU MD2 1 148 PHE HB2 6.000 . 6.000 4.449 2.085 6.023 0.023 33 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 143 LEU MD2 1 148 PHE HB3 6.000 . 6.000 3.920 1.862 5.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 28 LEU H 1 29 GLU H 4.500 . 4.500 2.576 2.332 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 27 THR HA 1 28 LEU H 3.500 . 3.500 2.223 2.142 2.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 26 ARG HA 1 27 THR H 3.500 . 3.500 3.544 3.441 3.580 0.080 27 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 26 ARG H 1 27 THR H 6.000 . 6.000 3.019 2.731 3.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 29 GLU H 1 30 ASP H 4.500 . 4.500 2.901 2.396 3.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 27 THR HB 1 30 ASP H 4.500 . 4.500 3.085 2.075 4.525 0.025 27 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 29 GLU HA 1 30 ASP H 4.500 . 4.500 3.558 3.486 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 30 ASP H 1 31 GLY H 4.500 . 4.500 2.569 2.234 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 31 GLY H 1 32 LYS H 4.500 . 4.500 2.677 2.460 2.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 28 LEU HA 1 31 GLY H 4.500 . 4.500 3.572 3.258 4.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 30 ASP HA 1 31 GLY H 6.000 . 6.000 3.480 3.407 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 32 LYS H 1 33 LYS H 4.500 . 4.500 2.593 2.313 2.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 31 GLY HA3 1 32 LYS H 4.500 . 4.500 2.836 2.533 3.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 31 GLY HA2 1 32 LYS H 4.500 . 4.500 3.533 3.447 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 32 LYS HA 1 33 LYS H 4.500 . 4.500 3.544 3.493 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 30 ASP HA 1 33 LYS H 4.500 . 4.500 3.539 3.117 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 33 LYS H 1 34 GLU H 4.500 . 4.500 2.664 2.485 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 34 GLU H 1 35 ALA H 4.500 . 4.500 2.464 2.178 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 31 GLY HA3 1 34 GLU H 6.000 . 6.000 4.833 4.566 5.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 34 GLU HA 1 35 ALA H 4.500 . 4.500 3.529 3.444 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 35 ALA H 1 36 ALA H 4.500 . 4.500 2.707 2.536 2.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 37 ALA H 1 38 SER H . . 3.500 3.091 2.660 3.268 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 35 ALA HA 1 36 ALA H 4.500 . 4.500 3.476 3.398 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 34 GLU HA 1 37 ALA H 3.500 . 3.500 3.430 3.225 3.513 0.013 34 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 38 SER H 1 39 GLY H . . 3.500 2.621 2.410 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 37 ALA HA 1 38 SER H 4.500 . 4.500 3.559 3.543 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 38 SER HA 1 39 GLY H 4.500 . 4.500 3.487 3.445 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 39 GLY H 1 40 LEU H 4.500 . 4.500 2.467 2.030 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 47 HIS HA 1 48 LYS H 4.500 . 4.500 2.195 2.116 2.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 48 LYS HA 1 49 SER H 4.500 . 4.500 2.364 2.170 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 48 LYS H 1 49 SER H 6.000 . 6.000 4.487 3.752 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 49 SER H 1 50 TRP H 6.000 . 6.000 4.518 3.267 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 50 TRP H 1 50 TRP HD1 4.500 . 4.500 3.283 1.975 4.516 0.016 5 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 50 TRP H 1 50 TRP HE3 6.000 . 6.000 3.885 2.158 5.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 49 SER HA 1 50 TRP H 6.000 . 6.000 2.745 2.126 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 54 CYS H 1 55 LYS H 4.500 . 4.500 2.178 1.969 2.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 54 CYS HA 1 55 LYS H 4.500 . 4.500 3.497 3.436 3.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 52 GLY HA2 1 55 LYS H 6.000 . 6.000 2.876 2.635 3.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 55 LYS H 1 56 ALA H 4.500 . 4.500 2.686 2.338 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 53 ALA HA 1 56 ALA H 4.500 . 4.500 3.904 3.226 4.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 55 LYS HA 1 56 ALA H 4.500 . 4.500 3.561 3.507 3.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 56 ALA H 1 57 LEU H 4.500 . 4.500 2.533 2.270 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 57 LEU H 1 58 LYS H 4.500 . 4.500 2.638 2.265 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 56 ALA HA 1 57 LEU H 4.500 . 4.500 3.459 3.375 3.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 56 ALA H 1 58 LYS H 6.000 . 6.000 4.239 3.982 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 57 LEU HA 1 58 LYS H 4.500 . 4.500 3.501 3.436 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 55 LYS HA 1 58 LYS H 6.000 . 6.000 3.748 3.159 4.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 60 LYS H 1 61 PHE H 4.500 . 4.500 2.438 2.228 2.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 60 LYS H 1 62 ALA H 6.000 . 6.000 3.347 3.258 3.447 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 61 PHE H 1 62 ALA H 4.500 . 4.500 2.605 2.393 2.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 61 PHE H 1 61 PHE QD 4.500 . 4.500 4.106 3.968 4.208 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 60 LYS HA 1 61 PHE H 4.500 . 4.500 3.571 3.529 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 58 LYS HA 1 61 PHE H 6.000 . 6.000 4.544 3.785 4.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 62 ALA H 1 63 GLU H 4.500 . 4.500 2.494 2.382 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 61 PHE QD 1 62 ALA H 4.500 . 4.500 4.303 3.917 4.538 0.038 35 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 61 PHE HA 1 62 ALA H 4.500 . 4.500 3.433 3.384 3.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 63 GLU H 1 64 SER H 4.500 . 4.500 2.414 2.223 2.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 61 PHE H 1 63 GLU H 6.000 . 6.000 4.004 3.751 4.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 62 ALA HA 1 63 GLU H 4.500 . 4.500 3.392 3.345 3.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 63 GLU HA 1 64 SER H 4.500 . 4.500 3.356 3.326 3.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 61 PHE HA 1 64 SER H 4.500 . 4.500 3.117 2.864 3.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 64 SER H 1 64 SER HB3 3.500 . 3.500 3.423 2.414 3.546 0.046 36 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 65 THR H 1 66 GLU H 6.000 . 6.000 2.759 2.630 2.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 64 SER HA 1 65 THR H 4.500 . 4.500 3.275 3.190 3.378 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 66 GLU H 1 67 ILE H 4.500 . 4.500 2.290 2.242 2.385 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 67 ILE H 1 68 SER H 4.500 . 4.500 2.507 2.455 2.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 66 GLU HA 1 67 ILE H 4.500 . 4.500 3.492 3.477 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 67 ILE HA 1 68 SER H 6.000 . 6.000 3.397 3.333 3.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 68 SER H 1 68 SER HB3 3.500 . 3.500 2.805 2.301 3.325 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 68 SER H 1 69 GLU H 4.500 . 4.500 2.508 2.425 2.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 69 GLU H 1 70 LEU H 4.500 . 4.500 2.264 1.877 2.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 68 SER HA 1 69 GLU H 6.000 . 6.000 3.482 3.397 3.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 66 GLU HA 1 69 GLU H 4.500 . 4.500 3.473 3.216 3.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 68 SER HB2 1 69 GLU H 4.500 . 4.500 3.708 3.220 4.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 70 LEU H 1 71 SER H . . 3.500 2.617 2.087 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 67 ILE HA 1 70 LEU H 4.500 . 4.500 2.926 2.749 3.629 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 69 GLU HA 1 70 LEU H 4.500 . 4.500 3.512 3.399 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 71 SER H 1 72 HIS H 4.500 . 4.500 2.701 1.939 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 72 HIS H 1 73 ASN H 4.500 . 4.500 2.642 2.589 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 71 SER HA 1 72 HIS H 6.000 . 6.000 3.435 3.355 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 69 GLU HA 1 72 HIS H 4.500 . 4.500 3.925 2.999 4.533 0.033 21 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 71 SER HB3 1 73 ASN H 4.500 . 4.500 4.630 4.532 4.688 0.188 26 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 73 ASN H 1 74 PHE H 4.500 . 4.500 2.573 2.274 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 73 ASN H 1 73 ASN HD22 3.500 . 3.500 3.498 2.904 3.634 0.134 32 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 73 ASN H 1 73 ASN HD21 4.500 . 4.500 2.788 1.949 3.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 74 PHE H 1 75 VAL H 6.000 . 6.000 4.332 4.139 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 74 PHE H 1 74 PHE QD 4.500 . 4.500 2.895 1.888 3.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 73 ASN HA 1 74 PHE H 4.500 . 4.500 3.482 3.303 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 74 PHE QD 1 75 VAL H 4.500 . 4.500 3.371 2.423 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 43 MET H 1 75 VAL H 4.500 . 4.500 3.174 1.858 4.564 0.064 15 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 79 LEU HA 1 80 GLU H 4.500 . 4.500 2.339 2.161 2.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 80 GLU HA 1 81 ASP H 4.500 . 4.500 2.639 2.361 2.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 48 LYS HA 1 81 ASP H 4.500 . 4.500 4.302 3.724 4.615 0.115 8 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 81 ASP HA 1 82 GLU H 4.500 . 4.500 3.484 3.439 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 82 GLU H 1 83 GLU H 4.500 . 4.500 2.714 1.796 3.091 0.004 14 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 83 GLU H 1 84 GLU H 4.500 . 4.500 3.692 2.328 4.543 0.043 3 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 80 GLU H 1 83 GLU H 6.000 . 6.000 3.682 2.618 5.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 82 GLU HA 1 83 GLU H 4.500 . 4.500 3.496 3.404 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 83 GLU HA 1 84 GLU H 4.500 . 4.500 2.653 2.140 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 85 PRO HA 1 86 LYS H 3.500 . 3.500 2.957 2.150 3.551 0.051 3 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 86 LYS H 1 87 ASP H 4.500 . 4.500 2.991 1.927 4.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 87 ASP H 1 88 GLU H 6.000 . 6.000 4.337 4.230 4.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 86 LYS HA 1 87 ASP H 4.500 . 4.500 2.599 2.159 2.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 87 ASP HA 1 88 GLU H 4.500 . 4.500 2.597 2.215 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 89 ASP H 1 90 PHE H 4.500 . 4.500 2.869 2.712 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 88 GLU HA 1 89 ASP H 4.500 . 4.500 3.403 3.386 3.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 87 ASP HA 1 89 ASP H 4.500 . 4.500 4.145 3.789 4.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 90 PHE H 1 91 SER H 4.500 . 4.500 2.264 1.905 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 90 PHE H 1 90 PHE QE 6.000 . 6.000 4.253 3.920 5.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 88 GLU HA 1 90 PHE H 4.500 . 4.500 3.443 3.243 4.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 87 ASP HA 1 90 PHE H 6.000 . 6.000 5.429 5.015 6.015 0.015 38 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 90 PHE HA 1 91 SER H 4.500 . 4.500 3.460 3.394 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 88 GLU HA 1 91 SER H 4.500 . 4.500 3.088 2.692 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 90 PHE HB3 1 91 SER H 6.000 . 6.000 4.085 3.046 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 90 PHE QD 1 91 SER H 6.000 . 6.000 2.937 1.830 4.515 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 89 ASP H 1 91 SER H 6.000 . 6.000 4.287 4.090 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 93 ASP H 1 94 GLY H 4.500 . 4.500 2.743 1.868 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 92 PRO HA 1 93 ASP H 4.500 . 4.500 3.234 2.174 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 91 SER HA 1 93 ASP H 6.000 . 6.000 4.302 3.184 6.011 0.011 21 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 93 ASP H 1 94 GLY HA2 6.000 . 6.000 4.886 4.198 5.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 91 SER HB3 1 94 GLY H 4.500 . 4.500 4.174 3.228 4.525 0.025 4 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 91 SER HB2 1 94 GLY H 6.000 . 6.000 5.152 3.225 6.006 0.006 12 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 91 SER HA 1 94 GLY H 6.000 . 6.000 4.630 3.099 5.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 92 PRO HA 1 94 GLY H 6.000 . 6.000 4.874 3.474 5.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 94 GLY H 1 95 GLY H . . 4.500 3.770 2.193 4.560 0.060 14 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 95 GLY H 1 96 TYR H 4.500 . 4.500 2.410 1.917 3.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 94 GLY HA3 1 95 GLY H 4.500 . 4.500 2.479 2.136 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 95 GLY H 1 96 TYR HA 6.000 . 6.000 4.582 4.131 5.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 94 GLY HA2 1 95 GLY H 4.500 . 4.500 2.969 2.129 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 95 GLY HA2 1 96 TYR H 4.500 . 4.500 3.134 2.569 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 94 GLY HA3 1 96 TYR H 6.000 . 6.000 3.766 3.090 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 94 GLY HA2 1 96 TYR H 6.000 . 6.000 4.710 3.581 6.003 0.003 18 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 96 TYR H 1 97 ILE H 6.000 . 6.000 4.536 4.144 4.660 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 96 TYR H 1 96 TYR QD 3.500 . 3.500 2.432 1.935 3.558 0.058 34 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 96 TYR HA 1 97 ILE H 3.500 . 3.500 2.583 2.082 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 108 LYS HA 1 109 VAL H 3.500 . 3.500 2.352 2.152 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 109 VAL HA 1 110 HIS H 3.500 . 3.500 2.114 2.066 2.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 103 LEU HA 1 110 HIS H 4.500 . 4.500 2.777 2.059 3.210 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 112 GLU H 1 113 ILE H 4.500 . 4.500 2.386 1.951 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 110 HIS HA 1 112 GLU H 6.000 . 6.000 4.007 3.077 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 111 PRO HD3 1 112 GLU H 4.500 . 4.500 4.527 3.826 4.578 0.078 14 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 109 VAL HA 1 112 GLU H 6.000 . 6.000 6.115 6.052 6.174 0.174 27 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 113 ILE H 1 114 ILE H 6.000 . 6.000 4.117 3.738 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 112 GLU HA 1 113 ILE H 4.500 . 4.500 3.545 3.406 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 113 ILE HA 1 114 ILE H 3.500 . 3.500 2.166 2.070 2.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 114 ILE HA 1 115 ASN H 4.500 . 4.500 3.007 2.579 3.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 115 ASN H 1 124 TYR HA 6.000 . 6.000 3.699 2.279 5.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 115 ASN H 1 116 GLU H 6.000 . 6.000 3.084 1.785 4.071 0.015 13 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 116 GLU H 1 117 ASN H 4.500 . 4.500 3.065 2.542 3.760 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 116 GLU H 1 118 GLY H 6.000 . 6.000 3.927 3.264 4.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 115 ASN HA 1 116 GLU H 3.500 . 3.500 2.836 2.214 3.545 0.045 7 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 117 ASN H 1 117 ASN HD21 6.000 . 6.000 4.176 2.481 5.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 117 ASN H 1 118 GLY H 3.500 . 3.500 2.510 1.787 2.847 0.013 36 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 115 ASN HA 1 117 ASN H 4.500 . 4.500 3.627 3.139 4.529 0.029 36 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 117 ASN H 1 118 GLY HA2 6.000 . 6.000 5.007 4.448 5.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 116 GLU HA 1 117 ASN H 4.500 . 4.500 3.461 2.828 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 117 ASN H 1 118 GLY HA3 6.000 . 6.000 4.730 3.951 5.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 117 ASN HA 1 118 GLY H 4.500 . 4.500 3.380 3.039 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 116 GLU HA 1 118 GLY H 4.500 . 4.500 3.881 3.613 4.545 0.045 36 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 115 ASN HD22 1 118 GLY H 6.000 . 6.000 3.508 2.342 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 118 GLY H 1 119 ASN H 4.500 . 4.500 4.206 2.882 4.560 0.060 27 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 118 GLY HA2 1 119 ASN H 3.500 . 3.500 2.853 2.215 3.538 0.038 18 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 119 ASN H 1 120 PRO HD3 6.000 . 6.000 4.729 3.991 5.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 118 GLY HA3 1 119 ASN H 3.500 . 3.500 2.418 2.146 3.553 0.053 6 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 119 ASN H 1 120 PRO HD2 6.000 . 6.000 5.142 4.658 5.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 125 PHE HA 1 126 TYR H 4.500 . 4.500 2.166 2.128 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 126 TYR H 1 126 TYR QD 4.500 . 4.500 3.200 1.851 4.244 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 127 VAL H 1 128 SER H . . 3.500 3.374 2.282 3.586 0.086 24 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 115 ASN HD21 1 127 VAL H 4.500 . 4.500 4.453 3.961 4.551 0.051 22 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 126 TYR QD 1 127 VAL H 6.000 . 6.000 3.563 2.084 4.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 115 ASN HD22 1 127 VAL H 6.000 . 6.000 4.165 3.422 4.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 126 TYR HA 1 127 VAL H 3.500 . 3.500 2.362 2.154 2.609 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 56 ALA H 1 128 SER H 6.000 . 6.000 6.061 5.935 6.145 0.145 36 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 128 SER HA 1 129 ALA H 3.500 . 3.500 2.182 2.124 2.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 129 ALA H 1 130 GLU H 4.500 . 4.500 2.614 2.364 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 130 GLU H 1 131 GLN H 4.500 . 4.500 2.856 2.584 3.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 129 ALA HA 1 130 GLU H 4.500 . 4.500 3.454 3.400 3.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 130 GLU HA 1 131 GLN H 4.500 . 4.500 3.563 3.509 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 131 GLN H 1 132 VAL H 4.500 . 4.500 2.620 2.299 2.863 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 126 TYR QD 1 131 GLN H 6.000 . 6.000 5.264 3.958 6.108 0.108 36 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 132 VAL H 1 133 VAL H 4.500 . 4.500 2.739 2.502 2.828 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 128 SER H 1 132 VAL H 6.000 . 6.000 5.238 4.497 5.825 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 126 TYR QD 1 132 VAL H 4.500 . 4.500 3.553 2.017 4.529 0.029 13 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 131 GLN HA 1 132 VAL H 6.000 . 6.000 3.553 3.467 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 133 VAL H 1 134 GLN H 4.500 . 4.500 2.430 2.345 2.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 134 GLN H 1 135 GLY H 4.500 . 4.500 2.401 2.309 2.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 132 VAL H 1 134 GLN H 6.000 . 6.000 4.205 3.895 4.279 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 131 GLN HA 1 134 GLN H 4.500 . 4.500 3.002 2.788 3.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 133 VAL HA 1 134 GLN H 4.500 . 4.500 3.542 3.480 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 135 GLY H 1 136 MET H 4.500 . 4.500 2.413 2.235 2.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 134 GLN HA 1 135 GLY H 4.500 . 4.500 3.490 3.403 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 132 VAL HA 1 135 GLY H 6.000 . 6.000 3.554 3.347 3.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 137 LYS H 1 138 GLU H . . 3.500 2.519 2.378 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 136 MET HA 1 137 LYS H 4.500 . 4.500 3.500 3.410 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 137 LYS HA 1 138 GLU H 4.500 . 4.500 3.382 3.355 3.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 138 GLU H 1 139 ALA H 4.500 . 4.500 2.535 2.303 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 15 LEU H 1 16 GLY H 4.500 . 4.500 3.736 1.972 4.567 0.067 30 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 146 ASP H 1 147 ALA H 6.000 . 6.000 2.381 1.904 3.651 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 138 GLU HA 1 139 ALA H 3.500 . 3.500 3.548 3.538 3.555 0.055 25 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 137 LYS HA 1 140 GLN H 4.500 . 4.500 3.936 3.153 4.280 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 140 GLN H 1 141 GLU H 4.500 . 4.500 2.723 2.574 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 138 GLU H 1 140 GLN H 4.500 . 4.500 3.337 3.267 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 139 ALA H 1 140 GLN H 3.500 . 3.500 2.697 2.456 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 141 GLU H 1 142 ARG H 4.500 . 4.500 2.128 1.907 2.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 140 GLN HA 1 141 GLU H 4.500 . 4.500 3.421 3.391 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 141 GLU HA 1 142 ARG H 4.500 . 4.500 3.496 3.388 3.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 139 ALA HA 1 142 ARG H 4.500 . 4.500 3.130 2.931 3.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 142 ARG H 1 143 LEU H 3.500 . 3.500 2.373 1.970 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 121 SER H 1 122 TYR H 3.500 . 3.500 1.910 1.793 2.015 0.007 33 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 143 LEU H 1 144 THR H . . 3.500 2.430 1.965 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 120 PRO HD3 1 121 SER H 6.000 . 6.000 4.565 3.957 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 140 GLN HA 1 143 LEU H 4.500 . 4.500 4.350 3.737 4.575 0.075 11 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 142 ARG HA 1 143 LEU H 4.500 . 4.500 3.487 3.397 3.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 144 THR H 1 145 GLY H 4.500 . 4.500 3.693 2.217 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 141 GLU HA 1 144 THR H 6.000 . 6.000 4.016 3.473 4.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 143 LEU HA 1 144 THR H 4.500 . 4.500 3.483 3.398 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 144 THR HA 1 145 GLY H 3.500 . 3.500 2.778 2.144 3.539 0.039 32 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 145 GLY H 1 146 ASP H 6.000 . 6.000 3.453 1.960 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 146 ASP HA 1 147 ALA H 4.500 . 4.500 2.975 2.822 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 147 ALA H 1 148 PHE H 4.500 . 4.500 2.501 2.225 2.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 148 PHE H 1 149 ARG H 4.500 . 4.500 2.442 1.927 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 148 PHE H 1 148 PHE QD 4.500 . 4.500 2.113 1.945 2.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 147 ALA HA 1 148 PHE H 4.500 . 4.500 3.300 2.862 3.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 148 PHE HA 1 149 ARG H 4.500 . 4.500 3.504 3.418 3.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 149 ARG H 1 150 LYS H 4.500 . 4.500 4.049 2.508 4.523 0.023 34 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 149 ARG HA 1 150 LYS H 3.500 . 3.500 2.645 2.131 3.554 0.054 4 0 "[ . 1 . 2 . 3 . 4]" 1
945 1 150 LYS HA 1 151 LYS H 3.500 . 3.500 2.767 2.142 3.550 0.050 39 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 49 SER H 1 81 ASP H 6.000 . 6.000 5.738 5.244 6.031 0.031 29 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 45 ILE H 1 79 LEU H 6.000 . 6.000 3.863 2.870 5.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 47 HIS HD2 1 79 LEU H 4.500 . 4.500 4.470 3.887 4.619 0.119 34 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 78 ASN HA 1 79 LEU H 4.500 . 4.500 2.136 2.084 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 78 ASN H 1 79 LEU H 6.000 . 6.000 4.261 4.028 4.410 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 77 VAL H 1 78 ASN H 6.000 . 6.000 3.337 2.455 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
952 1 16 GLY H 1 25 TRP HE1 6.000 . 6.000 4.738 3.103 6.111 0.111 36 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 16 GLY H 1 17 LYS H 4.500 . 4.500 3.204 2.421 4.543 0.043 9 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 16 GLY H 1 25 TRP HD1 6.000 . 6.000 3.466 1.945 5.604 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 15 LEU HA 1 16 GLY H 4.500 . 4.500 2.844 2.136 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 26 ARG H 1 78 ASN H 6.000 . 6.000 4.977 4.614 6.020 0.020 2 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 25 TRP HB3 1 26 ARG H 4.500 . 4.500 4.502 3.540 4.612 0.112 17 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 46 ILE H 1 101 LEU H 6.000 . 6.000 4.111 3.367 4.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 98 PRO HA 1 99 ARG H 4.500 . 4.500 2.300 2.203 2.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 46 ILE H 1 99 ARG H 4.500 . 4.500 4.511 4.253 4.595 0.095 37 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 123 LYS H 1 124 TYR H 4.500 . 4.500 4.097 2.844 4.296 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 124 TYR H 1 124 TYR QD 4.500 . 4.500 2.521 1.840 3.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 124 TYR H 1 124 TYR QE 4.500 . 4.500 4.201 3.753 4.590 0.090 6 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 123 LYS H 1 125 PHE H 6.000 . 6.000 4.022 3.807 4.557 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 124 TYR H 1 125 PHE H 4.500 . 4.500 2.939 2.364 3.093 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 122 TYR QD 1 125 PHE H 6.000 . 6.000 3.404 2.332 4.232 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 124 TYR HA 1 125 PHE H 4.500 . 4.500 3.436 2.985 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 122 TYR H 1 123 LYS H . . 4.500 2.143 1.818 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 122 TYR H 1 122 TYR QD 4.500 . 4.500 4.137 3.205 4.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 20 GLY H 1 21 ASP H 6.000 . 6.000 3.105 1.778 4.367 0.022 2 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 18 GLY H 1 20 GLY H 4.500 . 4.500 4.006 2.819 4.523 0.023 28 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 19 PHE H 1 20 GLY H 4.500 . 4.500 2.605 2.023 3.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 19 PHE QD 1 20 GLY H 6.000 . 6.000 3.500 1.961 4.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 19 PHE HA 1 20 GLY H 4.500 . 4.500 3.433 2.224 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 23 ILE H 1 25 TRP HE1 4.500 . 4.500 3.067 1.994 4.513 0.013 25 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 22 HIS H 1 23 ILE H 4.500 . 4.500 3.467 1.990 4.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 22 HIS HA 1 23 ILE H 4.500 . 4.500 2.625 2.179 3.528 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 25 TRP HE1 1 26 ARG HA 6.000 . 6.000 6.067 4.581 6.190 0.190 6 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 16 GLY HA2 1 25 TRP HE1 4.500 . 4.500 4.630 4.514 4.756 0.256 1 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 16 GLY HA3 1 25 TRP HE1 4.500 . 4.500 3.382 2.905 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 23 ILE MG 1 25 TRP HE1 4.500 . 4.500 4.497 2.222 4.779 0.279 36 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 23 ILE HB 1 25 TRP HE1 4.500 . 4.500 3.243 2.157 4.605 0.105 26 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 21 ASP H 1 22 HIS H 4.500 . 4.500 3.489 2.764 4.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 20 GLY HA3 1 21 ASP H 4.500 . 4.500 2.332 2.133 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 21 ASP H 1 23 ILE H 6.000 . 6.000 4.477 3.846 5.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 124 TYR H 1 125 PHE HA 6.000 . 6.000 5.428 4.800 5.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 123 LYS HA 1 124 TYR H 6.000 . 6.000 3.499 3.423 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 115 ASN HB3 1 124 TYR H 4.500 . 4.500 4.534 4.331 4.611 0.111 26 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 21 ASP HA 1 22 HIS H 4.500 . 4.500 3.330 2.127 3.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 20 GLY HA3 1 22 HIS H 6.000 . 6.000 5.325 4.700 6.070 0.070 33 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 22 HIS H 1 23 ILE HB 6.000 . 6.000 4.772 4.089 5.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 62 ALA H 1 62 ALA MB 3.500 . 3.500 2.076 2.013 2.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 96 TYR QE 1 100 ILE H 4.500 . 4.500 4.565 3.999 4.669 0.169 15 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 99 ARG HA 1 100 ILE H 4.500 . 4.500 2.718 2.543 2.792 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 100 ILE H 1 125 PHE HA 6.000 . 6.000 3.695 2.963 4.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 100 ILE H 1 124 TYR HA 6.000 . 6.000 4.400 3.909 4.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 100 ILE H 1 124 TYR HB3 4.500 . 4.500 3.191 2.202 3.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 45 ILE MG 1 79 LEU H 6.000 . 6.000 4.664 3.317 5.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 44 VAL H 1 102 PHE HA 4.500 . 4.500 3.165 2.498 3.643 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 43 MET HA 1 44 VAL H 3.500 . 3.500 2.288 2.182 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 43 MET H 1 74 PHE QD 4.500 . 4.500 4.280 3.424 4.557 0.057 24 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 42 LEU HA 1 43 MET H 3.500 . 3.500 2.239 2.116 2.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 45 ILE H 1 78 ASN HA 4.500 . 4.500 2.741 1.921 3.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 44 VAL HA 1 45 ILE H 3.500 . 3.500 2.268 2.103 2.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 45 ILE H 1 45 ILE MG 4.500 . 4.500 3.355 1.780 3.988 0.020 14 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 125 PHE QD 1 126 TYR H 6.000 . 6.000 3.271 1.973 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1007 1 125 PHE HZ 1 126 TYR H 6.000 . 6.000 5.797 4.814 6.024 0.024 26 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 99 ARG HA 1 126 TYR H 6.000 . 6.000 5.251 4.510 5.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 23 ILE MG 1 24 HIS H 4.500 . 4.500 2.015 1.726 3.590 0.074 26 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 23 ILE HG12 1 24 HIS H 6.000 . 6.000 4.221 2.144 5.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 23 ILE H 1 24 HIS H 6.000 . 6.000 3.556 2.909 4.569 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1012 1 104 ASP H 1 110 HIS H 6.000 . 6.000 4.323 3.178 4.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 103 LEU H 1 104 ASP H 6.000 . 6.000 4.419 4.293 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1014 1 104 ASP H 1 108 LYS H 4.500 . 4.500 3.232 2.767 3.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1015 1 103 LEU HA 1 104 ASP H 3.500 . 3.500 2.434 2.169 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 1 103 LEU MD1 1 104 ASP H 4.500 . 4.500 3.914 1.940 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1017 1 42 LEU H 1 103 LEU H 4.500 . 4.500 3.719 2.746 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1018 1 42 LEU H 1 43 MET H 6.000 . 6.000 4.459 4.193 4.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1019 1 42 LEU H 1 74 PHE QD 6.000 . 6.000 5.469 3.859 6.090 0.090 22 0 "[ . 1 . 2 . 3 . 4]" 1
1020 1 42 LEU H 1 105 PRO HA 3.500 . 3.500 3.295 2.653 3.546 0.046 14 0 "[ . 1 . 2 . 3 . 4]" 1
1021 1 42 LEU H 1 104 ASP HA 6.000 . 6.000 4.068 3.427 4.962 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1022 1 97 ILE H 1 98 PRO HA 6.000 . 6.000 4.285 3.734 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1023 1 97 ILE H 1 97 ILE HG12 4.500 . 4.500 3.277 2.384 3.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1024 1 17 LYS HA 1 18 GLY H 4.500 . 4.500 2.605 2.138 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1025 1 16 GLY HA2 1 18 GLY H 6.000 . 6.000 5.111 3.155 6.012 0.012 4 0 "[ . 1 . 2 . 3 . 4]" 1
1026 1 18 GLY H 1 19 PHE QD 6.000 . 6.000 4.790 2.192 6.039 0.039 19 0 "[ . 1 . 2 . 3 . 4]" 1
1027 1 18 GLY H 1 19 PHE H 4.500 . 4.500 2.503 1.863 4.573 0.073 29 0 "[ . 1 . 2 . 3 . 4]" 1
1028 1 16 GLY H 1 17 LYS HA 6.000 . 6.000 5.073 4.510 5.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1029 1 94 GLY H 1 96 TYR H 6.000 . 6.000 4.870 3.674 6.030 0.030 36 0 "[ . 1 . 2 . 3 . 4]" 1
1030 1 119 ASN HD22 1 122 TYR QE 6.000 . 6.000 4.854 3.778 6.027 0.027 16 0 "[ . 1 . 2 . 3 . 4]" 1
1031 1 119 ASN HD22 1 122 TYR QD 6.000 . 6.000 3.213 1.940 5.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1032 1 119 ASN HD21 1 122 TYR QE 6.000 . 6.000 5.269 3.443 6.004 0.004 28 0 "[ . 1 . 2 . 3 . 4]" 1
1033 1 119 ASN HD21 1 122 TYR QD 6.000 . 6.000 3.542 2.596 4.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1034 1 119 ASN HA 1 119 ASN HD21 4.500 . 4.500 4.174 3.678 4.533 0.033 7 0 "[ . 1 . 2 . 3 . 4]" 1
1035 1 107 GLY HA2 1 108 LYS H 4.500 . 4.500 2.858 2.728 3.572 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1036 1 107 GLY HA3 1 108 LYS H 4.500 . 4.500 3.500 2.386 3.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1037 1 103 LEU HA 1 108 LYS H 6.000 . 6.000 4.848 4.359 5.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1038 1 106 SER H 1 108 LYS H 4.500 . 4.500 3.822 2.991 4.561 0.061 24 0 "[ . 1 . 2 . 3 . 4]" 1
1039 1 107 GLY H 1 108 LYS H 3.500 . 3.500 2.155 1.982 2.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1040 1 103 LEU MD1 1 108 LYS H 4.500 . 4.500 2.603 1.863 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1041 1 52 GLY HA2 1 54 CYS H 6.000 . 6.000 3.520 3.363 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1042 1 67 ILE H 1 67 ILE MG 4.500 . 4.500 3.707 1.798 3.787 0.002 2 0 "[ . 1 . 2 . 3 . 4]" 1
1043 1 52 GLY HA2 1 56 ALA H 6.000 . 6.000 3.895 3.593 4.165 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1044 1 60 LYS H 1 62 ALA HA 6.000 . 6.000 6.074 6.040 6.122 0.122 38 0 "[ . 1 . 2 . 3 . 4]" 1
1045 1 64 SER H 1 67 ILE H 6.000 . 6.000 4.869 4.812 4.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1046 1 62 ALA H 1 64 SER H 6.000 . 6.000 3.973 3.859 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1047 1 64 SER H 1 65 THR H 6.000 . 6.000 2.946 2.844 3.065 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1048 1 67 ILE MG 1 68 SER H 4.500 . 4.500 3.889 3.295 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1049 1 25 TRP HE3 1 77 VAL H 6.000 . 6.000 4.778 4.074 6.024 0.024 17 0 "[ . 1 . 2 . 3 . 4]" 1
1050 1 75 VAL HA 1 76 MET H 4.500 . 4.500 2.149 2.030 2.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1051 1 76 MET H 1 77 VAL MG2 4.500 . 4.500 4.411 4.092 4.655 0.155 19 0 "[ . 1 . 2 . 3 . 4]" 1
1052 1 23 ILE MG 1 76 MET H 6.000 . 6.000 4.778 2.595 6.084 0.084 26 0 "[ . 1 . 2 . 3 . 4]" 1
1053 1 43 MET HB3 1 76 MET H 4.500 . 4.500 4.584 4.498 4.658 0.158 37 0 "[ . 1 . 2 . 3 . 4]" 1
1054 1 74 PHE H 1 74 PHE HB3 3.500 . 3.500 3.615 3.543 3.782 0.282 10 0 "[ . 1 . 2 . 3 . 4]" 1
1055 1 137 LYS HB3 1 138 GLU H 4.500 . 4.500 4.113 3.671 4.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1056 1 40 LEU MD1 1 73 ASN H 6.000 . 6.000 5.490 3.929 6.096 0.096 17 0 "[ . 1 . 2 . 3 . 4]" 1
1057 1 73 ASN H 1 73 ASN HB3 3.500 . 3.500 3.287 2.691 3.602 0.102 37 0 "[ . 1 . 2 . 3 . 4]" 1
1058 1 72 HIS HB3 1 73 ASN H 4.500 . 4.500 3.874 3.249 4.293 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1059 1 72 HIS HB2 1 73 ASN H 6.000 . 6.000 3.657 3.174 4.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1060 1 70 LEU MD1 1 73 ASN HD21 4.500 . 4.500 4.568 4.519 4.617 0.117 14 0 "[ . 1 . 2 . 3 . 4]" 1
1061 1 70 LEU MD1 1 73 ASN HD22 4.500 . 4.500 4.357 3.913 4.551 0.051 39 0 "[ . 1 . 2 . 3 . 4]" 1
1062 1 72 HIS H 1 72 HIS HD2 4.500 . 4.500 3.496 2.274 4.525 0.025 38 0 "[ . 1 . 2 . 3 . 4]" 1
1063 1 72 HIS H 1 74 PHE H 6.000 . 6.000 4.473 4.156 5.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1064 1 71 SER HB3 1 72 HIS H 4.500 . 4.500 3.417 2.834 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1065 1 72 HIS H 1 73 ASN HB3 6.000 . 6.000 5.765 4.855 6.232 0.232 20 0 "[ . 1 . 2 . 3 . 4]" 1
1066 1 72 HIS H 1 73 ASN HB2 6.000 . 6.000 5.315 4.611 6.241 0.241 33 0 "[ . 1 . 2 . 3 . 4]" 1
1067 1 67 ILE HA 1 71 SER H 6.000 . 6.000 3.701 2.405 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1068 1 70 LEU HB3 1 71 SER H 4.500 . 4.500 3.511 2.208 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1069 1 70 LEU HB2 1 71 SER H 4.500 . 4.500 3.322 2.924 4.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1070 1 70 LEU MD1 1 71 SER H 4.500 . 4.500 4.109 1.914 4.627 0.127 5 0 "[ . 1 . 2 . 3 . 4]" 1
1071 1 67 ILE MG 1 71 SER H 6.000 . 6.000 3.648 2.744 5.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1072 1 70 LEU H 1 70 LEU HB2 3.500 . 3.500 2.317 1.999 3.533 0.033 29 0 "[ . 1 . 2 . 3 . 4]" 1
1073 1 69 GLU HB3 1 70 LEU H 4.500 . 4.500 3.919 3.297 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1074 1 70 LEU H 1 70 LEU MD1 4.500 . 4.500 2.665 1.945 3.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1075 1 39 GLY HA3 1 40 LEU H 4.500 . 4.500 3.522 3.448 3.578 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1076 1 40 LEU H 1 40 LEU HB3 3.500 . 3.500 2.974 2.470 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1077 1 40 LEU H 1 40 LEU MD1 4.500 . 4.500 3.163 1.985 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1078 1 41 PRO HB3 1 42 LEU H 4.500 . 4.500 3.368 2.490 3.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1079 1 41 PRO HD3 1 42 LEU H 6.000 . 6.000 5.483 5.318 5.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1080 1 41 PRO HG2 1 42 LEU H 4.500 . 4.500 4.430 4.034 4.565 0.065 24 0 "[ . 1 . 2 . 3 . 4]" 1
1081 1 42 LEU H 1 42 LEU HB3 3.500 . 3.500 3.465 3.058 3.635 0.135 40 0 "[ . 1 . 2 . 3 . 4]" 1
1082 1 42 LEU H 1 103 LEU MD1 4.500 . 4.500 4.262 1.946 4.622 0.122 40 0 "[ . 1 . 2 . 3 . 4]" 1
1083 1 42 LEU H 1 42 LEU MD1 4.500 . 4.500 3.507 2.524 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1084 1 45 ILE H 1 77 VAL HB 6.000 . 6.000 4.071 3.152 4.990 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1085 1 45 ILE H 1 45 ILE HG12 4.500 . 4.500 3.824 2.721 4.525 0.025 1 0 "[ . 1 . 2 . 3 . 4]" 1
1086 1 45 ILE HA 1 46 ILE H 3.500 . 3.500 2.178 2.109 2.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1087 1 46 ILE H 1 46 ILE HG12 4.500 . 4.500 3.960 3.561 4.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1088 1 46 ILE H 1 79 LEU HG 6.000 . 6.000 5.720 4.762 6.085 0.085 19 0 "[ . 1 . 2 . 3 . 4]" 1
1089 1 47 HIS H 1 47 HIS HD2 4.500 . 4.500 2.253 1.819 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1090 1 48 LYS H 1 48 LYS HD3 6.000 . 6.000 4.843 2.329 6.000 0.000 5 0 "[ . 1 . 2 . 3 . 4]" 1
1091 1 45 ILE HA 1 101 LEU H 6.000 . 6.000 3.008 2.245 3.749 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1092 1 101 LEU H 1 101 LEU MD1 4.500 . 4.500 3.132 2.218 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1093 1 101 LEU HB3 1 102 PHE H 4.500 . 4.500 3.481 3.029 3.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1094 1 102 PHE HB3 1 103 LEU H 4.500 . 4.500 3.087 1.949 3.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1095 1 104 ASP H 1 109 VAL HA 4.500 . 4.500 3.931 2.496 4.509 0.009 37 0 "[ . 1 . 2 . 3 . 4]" 1
1096 1 106 SER H 1 107 GLY H 3.500 . 3.500 1.938 1.839 2.311 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1097 1 106 SER H 1 107 GLY HA3 4.500 . 4.500 4.309 4.228 4.605 0.105 27 0 "[ . 1 . 2 . 3 . 4]" 1
1098 1 103 LEU MD1 1 106 SER H 6.000 . 6.000 4.168 2.775 4.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1099 1 106 SER HA 1 107 GLY H 4.500 . 4.500 3.400 2.707 3.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1100 1 106 SER HB2 1 107 GLY H 6.000 . 6.000 3.565 3.038 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1101 1 103 LEU MD1 1 107 GLY H 4.500 . 4.500 3.180 2.213 4.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1102 1 108 LYS H 1 108 LYS HG2 4.500 . 4.500 4.011 2.119 4.519 0.019 27 0 "[ . 1 . 2 . 3 . 4]" 1
1103 1 108 LYS H 1 108 LYS HG3 4.500 . 4.500 4.053 3.535 4.534 0.034 27 0 "[ . 1 . 2 . 3 . 4]" 1
1104 1 109 VAL H 1 109 VAL HB 3.500 . 3.500 2.344 2.131 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1105 1 103 LEU HG 1 109 VAL H 4.500 . 4.500 4.594 4.503 4.761 0.261 36 0 "[ . 1 . 2 . 3 . 4]" 1
1106 1 108 LYS HG2 1 109 VAL H 4.500 . 4.500 4.338 3.171 4.565 0.065 36 0 "[ . 1 . 2 . 3 . 4]" 1
1107 1 109 VAL H 1 109 VAL MG1 3.500 . 3.500 3.359 2.524 3.728 0.228 21 0 "[ . 1 . 2 . 3 . 4]" 1
1108 1 109 VAL MG1 1 110 HIS H 3.500 . 3.500 2.904 2.130 3.545 0.045 36 0 "[ . 1 . 2 . 3 . 4]" 1
1109 1 112 GLU H 1 112 GLU HG2 4.500 . 4.500 3.976 1.856 4.509 0.009 18 0 "[ . 1 . 2 . 3 . 4]" 1
1110 1 111 PRO HG2 1 112 GLU H 4.500 . 4.500 4.307 3.481 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1111 1 113 ILE H 1 113 ILE MD 4.500 . 4.500 3.122 1.999 3.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1112 1 113 ILE H 1 113 ILE HG12 4.500 . 4.500 2.977 1.936 4.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1113 1 113 ILE H 1 113 ILE HG13 4.500 . 4.500 3.399 1.955 4.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1114 1 114 ILE H 1 114 ILE MG 3.500 . 3.500 2.817 2.272 3.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1115 1 114 ILE H 1 114 ILE HG12 4.500 . 4.500 2.552 1.773 3.475 0.027 25 0 "[ . 1 . 2 . 3 . 4]" 1
1116 1 114 ILE H 1 123 LYS HG3 6.000 . 6.000 6.014 5.904 6.048 0.048 7 0 "[ . 1 . 2 . 3 . 4]" 1
1117 1 115 ASN H 1 117 ASN H 6.000 . 6.000 5.112 4.391 5.619 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1118 1 116 GLU H 1 116 GLU HG2 4.500 . 4.500 2.996 2.301 4.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1119 1 115 ASN HB3 1 116 GLU H 4.500 . 4.500 3.747 2.263 4.538 0.038 11 0 "[ . 1 . 2 . 3 . 4]" 1
1120 1 114 ILE MD 1 116 GLU H 4.500 . 4.500 3.893 3.224 4.510 0.010 25 0 "[ . 1 . 2 . 3 . 4]" 1
1121 1 117 ASN H 1 117 ASN HB2 3.500 . 3.500 2.375 2.061 3.566 0.066 25 0 "[ . 1 . 2 . 3 . 4]" 1
1122 1 116 GLU HB3 1 117 ASN H 4.500 . 4.500 3.428 2.158 4.291 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1123 1 116 GLU HB2 1 117 ASN H 4.500 . 4.500 3.055 2.219 4.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1124 1 117 ASN H 1 117 ASN HD22 6.000 . 6.000 5.366 3.851 5.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1125 1 117 ASN HB2 1 117 ASN HD21 3.500 . 3.500 2.737 2.151 3.529 0.029 12 0 "[ . 1 . 2 . 3 . 4]" 1
1126 1 117 ASN HD21 1 118 GLY H 6.000 . 6.000 5.201 3.684 5.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1127 1 117 ASN HB3 1 118 GLY H 4.500 . 4.500 3.473 2.737 4.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1128 1 115 ASN HB2 1 118 GLY H 4.500 . 4.500 4.430 3.975 4.529 0.029 12 0 "[ . 1 . 2 . 3 . 4]" 1
1129 1 116 GLU HB2 1 118 GLY H 6.000 . 6.000 5.037 4.434 6.012 0.012 17 0 "[ . 1 . 2 . 3 . 4]" 1
1130 1 114 ILE HG13 1 118 GLY H 6.000 . 6.000 5.939 5.258 6.074 0.074 5 0 "[ . 1 . 2 . 3 . 4]" 1
1131 1 119 ASN H 1 119 ASN HB3 3.500 . 3.500 3.036 2.636 3.533 0.033 6 0 "[ . 1 . 2 . 3 . 4]" 1
1132 1 121 SER H 1 122 TYR HB3 4.500 . 4.500 4.593 4.530 4.676 0.176 33 0 "[ . 1 . 2 . 3 . 4]" 1
1133 1 143 LEU H 1 143 LEU HG 4.500 . 4.500 4.106 2.585 4.558 0.058 17 0 "[ . 1 . 2 . 3 . 4]" 1
1134 1 139 ALA MB 1 143 LEU H 6.000 . 6.000 3.742 3.060 4.861 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1135 1 143 LEU H 1 143 LEU MD1 4.500 . 4.500 3.978 2.411 4.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1136 1 143 LEU H 1 143 LEU MD2 4.500 . 4.500 3.466 1.846 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1137 1 121 SER HA 1 122 TYR H 4.500 . 4.500 2.970 2.737 3.493 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1138 1 121 SER HB3 1 122 TYR H 4.500 . 4.500 4.085 3.163 4.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1139 1 121 SER HB2 1 122 TYR H 4.500 . 4.500 3.933 2.649 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1140 1 122 TYR HA 1 123 LYS H 3.500 . 3.500 3.513 3.031 3.562 0.062 24 0 "[ . 1 . 2 . 3 . 4]" 1
1141 1 123 LYS H 1 123 LYS HE2 6.000 . 6.000 3.548 2.117 5.520 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1142 1 122 TYR HB2 1 123 LYS H 6.000 . 6.000 3.032 2.719 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1143 1 122 TYR HB3 1 123 LYS H 6.000 . 6.000 2.944 2.507 4.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1144 1 123 LYS H 1 123 LYS HD3 4.500 . 4.500 3.971 3.366 4.333 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1145 1 123 LYS H 1 123 LYS HG2 4.500 . 4.500 2.942 2.486 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1146 1 124 TYR H 1 125 PHE HB3 6.000 . 6.000 5.284 4.964 5.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1147 1 124 TYR H 1 125 PHE HB2 6.000 . 6.000 5.245 4.005 5.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1148 1 125 PHE H 1 126 TYR H 6.000 . 6.000 4.479 4.328 4.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1149 1 125 PHE H 1 126 TYR QD 6.000 . 6.000 5.212 3.825 6.086 0.086 34 0 "[ . 1 . 2 . 3 . 4]" 1
1150 1 123 LYS HA 1 125 PHE H 6.000 . 6.000 4.031 3.769 4.290 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1151 1 122 TYR HB3 1 125 PHE H 4.500 . 4.500 3.108 2.763 4.524 0.024 10 0 "[ . 1 . 2 . 3 . 4]" 1
1152 1 115 ASN HB3 1 125 PHE H 6.000 . 6.000 4.410 3.136 5.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1153 1 126 TYR H 1 132 VAL MG1 6.000 . 6.000 5.611 4.979 6.070 0.070 17 0 "[ . 1 . 2 . 3 . 4]" 1
1154 1 127 VAL H 1 127 VAL MG1 3.500 . 3.500 2.990 1.925 3.571 0.071 37 0 "[ . 1 . 2 . 3 . 4]" 1
1155 1 127 VAL H 1 127 VAL MG2 4.500 . 4.500 2.865 1.831 4.091 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1156 1 129 ALA H 1 129 ALA MB 3.500 . 3.500 2.167 2.023 2.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1157 1 130 GLU H 1 130 GLU HG2 4.500 . 4.500 3.844 2.000 4.510 0.010 20 0 "[ . 1 . 2 . 3 . 4]" 1
1158 1 130 GLU H 1 130 GLU HG3 4.500 . 4.500 3.663 1.949 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1159 1 130 GLU H 1 130 GLU HB3 3.500 . 3.500 3.086 2.460 3.510 0.010 27 0 "[ . 1 . 2 . 3 . 4]" 1
1160 1 129 ALA MB 1 130 GLU H 4.500 . 4.500 2.934 2.663 3.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1161 1 131 GLN H 1 131 GLN HG2 4.500 . 4.500 2.101 1.763 3.153 0.037 19 0 "[ . 1 . 2 . 3 . 4]" 1
1162 1 130 GLU HB3 1 131 GLN H 4.500 . 4.500 2.869 2.015 4.101 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1163 1 130 GLU HB2 1 131 GLN H 4.500 . 4.500 3.257 2.583 4.026 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1164 1 131 GLN H 1 132 VAL MG1 4.500 . 4.500 3.635 3.372 3.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1165 1 132 VAL H 1 134 GLN HG2 4.500 . 4.500 4.539 4.517 4.575 0.075 5 0 "[ . 1 . 2 . 3 . 4]" 1
1166 1 132 VAL H 1 132 VAL HB 3.500 . 3.500 3.326 2.640 3.610 0.110 7 0 "[ . 1 . 2 . 3 . 4]" 1
1167 1 131 GLN HB2 1 132 VAL H 4.500 . 4.500 3.433 2.953 3.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1168 1 129 ALA MB 1 132 VAL H 6.000 . 6.000 4.718 4.073 5.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1169 1 132 VAL H 1 132 VAL MG1 3.500 . 3.500 1.892 1.772 2.035 0.028 7 0 "[ . 1 . 2 . 3 . 4]" 1
1170 1 132 VAL H 1 132 VAL MG2 4.500 . 4.500 3.066 2.502 3.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1171 1 134 GLN H 1 134 GLN HG2 4.500 . 4.500 1.945 1.775 2.668 0.025 33 0 "[ . 1 . 2 . 3 . 4]" 1
1172 1 131 GLN HB2 1 134 GLN H 4.500 . 4.500 4.681 4.598 4.752 0.252 36 0 "[ . 1 . 2 . 3 . 4]" 1
1173 1 133 VAL MG1 1 134 GLN H 4.500 . 4.500 1.990 1.867 2.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1174 1 134 GLN HG2 1 135 GLY H 4.500 . 4.500 3.143 2.479 3.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1175 1 135 GLY H 1 137 LYS HB3 6.000 . 6.000 5.944 5.728 6.114 0.114 10 0 "[ . 1 . 2 . 3 . 4]" 1
1176 1 133 VAL MG1 1 135 GLY H 4.500 . 4.500 4.130 3.937 4.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1177 1 132 VAL MG2 1 135 GLY H 6.000 . 6.000 4.936 4.557 5.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1178 1 137 LYS H 1 137 LYS HB3 3.500 . 3.500 2.570 2.314 3.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1179 1 137 LYS H 1 137 LYS HG2 3.500 . 3.500 2.421 2.014 3.527 0.027 5 0 "[ . 1 . 2 . 3 . 4]" 1
1180 1 137 LYS H 1 137 LYS HG3 4.500 . 4.500 3.772 3.441 4.247 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1181 1 132 VAL MG2 1 133 VAL H 4.500 . 4.500 2.653 1.940 3.769 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1182 1 15 LEU H 1 15 LEU HG 4.500 . 4.500 3.772 2.589 4.549 0.049 40 0 "[ . 1 . 2 . 3 . 4]" 1
1183 1 140 GLN H 1 140 GLN HB3 3.500 . 3.500 2.836 2.434 3.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1184 1 140 GLN H 1 140 GLN HB2 3.500 . 3.500 3.159 2.046 3.571 0.071 4 0 "[ . 1 . 2 . 3 . 4]" 1
1185 1 140 GLN H 1 140 GLN HG2 4.500 . 4.500 3.426 2.812 4.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1186 1 141 GLU H 1 141 GLU HG2 4.500 . 4.500 3.333 1.975 4.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1187 1 141 GLU H 1 141 GLU HB3 3.500 . 3.500 2.555 2.221 3.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1188 1 141 GLU H 1 142 ARG HB3 6.000 . 6.000 5.067 4.539 6.005 0.005 25 0 "[ . 1 . 2 . 3 . 4]" 1
1189 1 142 ARG H 1 142 ARG HD2 6.000 . 6.000 3.965 2.094 4.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1190 1 141 GLU HG3 1 142 ARG H 4.500 . 4.500 3.714 1.929 4.542 0.042 37 0 "[ . 1 . 2 . 3 . 4]" 1
1191 1 139 ALA MB 1 142 ARG H 4.500 . 4.500 4.420 4.106 4.550 0.050 22 0 "[ . 1 . 2 . 3 . 4]" 1
1192 1 142 ARG H 1 143 LEU MD2 6.000 . 6.000 5.021 3.032 6.017 0.017 9 0 "[ . 1 . 2 . 3 . 4]" 1
1193 1 134 GLN HB3 1 134 GLN HE22 4.500 . 4.500 3.991 3.657 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1194 1 134 GLN HB3 1 134 GLN HE21 3.500 . 3.500 3.076 2.324 3.508 0.008 13 0 "[ . 1 . 2 . 3 . 4]" 1
1195 1 115 ASN HD22 1 126 TYR QD 6.000 . 6.000 3.576 2.217 5.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1196 1 115 ASN HD22 1 126 TYR HA 4.500 . 4.500 3.050 2.193 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1197 1 115 ASN HD22 1 118 GLY HA2 6.000 . 6.000 3.257 2.400 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1198 1 115 ASN HD22 1 118 GLY HA3 6.000 . 6.000 3.243 1.885 4.799 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1199 1 115 ASN HD21 1 126 TYR QD 6.000 . 6.000 3.402 2.324 5.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1200 1 115 ASN HD21 1 126 TYR HA 4.500 . 4.500 2.631 1.966 3.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1201 1 115 ASN HD21 1 118 GLY HA2 6.000 . 6.000 3.862 2.723 5.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1202 1 115 ASN HD21 1 118 GLY HA3 6.000 . 6.000 3.126 2.285 4.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1203 1 16 GLY HA3 1 78 ASN HD21 6.000 . 6.000 6.106 6.028 6.188 0.188 36 0 "[ . 1 . 2 . 3 . 4]" 1
1204 1 16 GLY HA2 1 78 ASN HD21 6.000 . 6.000 5.421 4.646 6.072 0.072 13 0 "[ . 1 . 2 . 3 . 4]" 1
1205 1 46 ILE HG13 1 78 ASN HD21 4.500 . 4.500 4.618 4.537 4.714 0.214 16 0 "[ . 1 . 2 . 3 . 4]" 1
1206 1 42 LEU H 1 42 LEU HG 4.500 . 4.500 3.307 1.843 4.526 0.026 23 0 "[ . 1 . 2 . 3 . 4]" 1
1207 1 42 LEU H 1 42 LEU MD2 4.500 . 4.500 3.353 1.990 4.561 0.061 37 0 "[ . 1 . 2 . 3 . 4]" 1
1208 1 144 THR H 1 144 THR HB 3.500 . 3.500 3.477 2.543 3.722 0.222 21 0 "[ . 1 . 2 . 3 . 4]" 1
1209 1 144 THR H 1 144 THR MG 4.500 . 4.500 2.312 1.921 2.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1210 1 149 ARG H 1 149 ARG HD2 4.500 . 4.500 4.421 3.704 4.558 0.058 2 0 "[ . 1 . 2 . 3 . 4]" 1
1211 1 149 ARG H 1 149 ARG HB3 3.500 . 3.500 3.528 3.110 3.575 0.075 38 0 "[ . 1 . 2 . 3 . 4]" 1
1212 1 149 ARG H 1 149 ARG HB2 3.500 . 3.500 2.560 2.204 3.479 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1213 1 149 ARG H 1 149 ARG HG3 4.500 . 4.500 2.427 1.817 3.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1214 1 149 ARG H 1 149 ARG HG2 4.500 . 4.500 2.875 2.099 3.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1215 1 77 VAL H 1 77 VAL MG2 3.500 . 3.500 3.075 2.224 3.514 0.014 11 0 "[ . 1 . 2 . 3 . 4]" 1
1216 1 77 VAL H 1 77 VAL MG1 4.500 . 4.500 3.867 3.604 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1217 1 43 MET H 1 43 MET ME 4.500 . 4.500 4.403 3.636 4.540 0.040 16 0 "[ . 1 . 2 . 3 . 4]" 1
1218 1 99 ARG H 1 99 ARG HG2 4.500 . 4.500 4.328 1.817 4.686 0.186 18 0 "[ . 1 . 2 . 3 . 4]" 1
1219 1 99 ARG H 1 99 ARG HD3 6.000 . 6.000 4.230 3.046 5.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1220 1 100 ILE H 1 100 ILE HG12 4.500 . 4.500 3.554 2.254 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1221 1 100 ILE H 1 100 ILE HG13 4.500 . 4.500 3.009 2.095 4.562 0.062 1 0 "[ . 1 . 2 . 3 . 4]" 1
1222 1 101 LEU H 1 101 LEU HG 4.500 . 4.500 3.758 2.226 4.605 0.105 40 0 "[ . 1 . 2 . 3 . 4]" 1
1223 1 25 TRP HE3 1 78 ASN H 4.500 . 4.500 3.830 3.511 4.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1224 1 78 ASN H 1 78 ASN HD21 6.000 . 6.000 4.587 4.200 4.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1225 1 25 TRP HZ3 1 78 ASN H 6.000 . 6.000 6.038 5.395 6.143 0.143 20 0 "[ . 1 . 2 . 3 . 4]" 1
1226 1 54 CYS H 1 56 ALA H 6.000 . 6.000 3.929 3.573 4.241 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1227 1 53 ALA HA 1 54 CYS H 4.500 . 4.500 3.393 3.341 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1228 1 61 PHE H 1 62 ALA HA 6.000 . 6.000 5.152 5.000 5.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1229 1 60 LYS HA 1 62 ALA H 6.000 . 6.000 3.818 3.574 4.146 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1230 1 58 LYS HA 1 62 ALA H 6.000 . 6.000 4.271 3.941 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1231 1 61 PHE HB2 1 62 ALA H 4.500 . 4.500 4.033 3.666 4.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1232 1 63 GLU H 1 64 SER HB2 4.500 . 4.500 4.547 4.520 4.578 0.078 32 0 "[ . 1 . 2 . 3 . 4]" 1
1233 1 61 PHE HA 1 65 THR H 6.000 . 6.000 6.025 5.753 6.131 0.131 29 0 "[ . 1 . 2 . 3 . 4]" 1
1234 1 64 SER HA 1 66 GLU H 4.500 . 4.500 3.466 3.318 3.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1235 1 64 SER HA 1 67 ILE H 4.500 . 4.500 2.438 2.364 2.559 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1236 1 63 GLU HA 1 67 ILE H 6.000 . 6.000 6.135 6.089 6.228 0.228 2 0 "[ . 1 . 2 . 3 . 4]" 1
1237 1 65 THR HA 1 67 ILE H 4.500 . 4.500 4.278 4.155 4.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1238 1 64 SER HB2 1 67 ILE H 4.500 . 4.500 4.602 4.534 4.633 0.133 24 0 "[ . 1 . 2 . 3 . 4]" 1
1239 1 65 THR HA 1 68 SER H 3.500 . 3.500 3.534 3.484 3.564 0.064 33 0 "[ . 1 . 2 . 3 . 4]" 1
1240 1 66 GLU HA 1 68 SER H 3.500 . 3.500 3.548 3.526 3.569 0.069 9 0 "[ . 1 . 2 . 3 . 4]" 1
1241 1 66 GLU HA 1 70 LEU H 4.500 . 4.500 4.483 3.872 4.611 0.111 28 0 "[ . 1 . 2 . 3 . 4]" 1
1242 1 71 SER H 1 73 ASN H 6.000 . 6.000 4.270 3.893 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1243 1 72 HIS HA 1 73 ASN H 4.500 . 4.500 3.368 3.333 3.394 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1244 1 72 HIS HA 1 74 PHE H 4.500 . 4.500 4.020 3.275 4.578 0.078 29 0 "[ . 1 . 2 . 3 . 4]" 1
1245 1 56 ALA HA 1 60 LYS H 4.500 . 4.500 4.545 4.116 4.628 0.128 5 0 "[ . 1 . 2 . 3 . 4]" 1
1246 1 52 GLY HA3 1 56 ALA H 4.500 . 4.500 4.595 4.547 4.651 0.151 15 0 "[ . 1 . 2 . 3 . 4]" 1
1247 1 53 ALA HA 1 55 LYS H 4.500 . 4.500 4.437 4.126 4.541 0.041 35 0 "[ . 1 . 2 . 3 . 4]" 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 58
_Distance_constraint_stats_list.Viol_count 1499
_Distance_constraint_stats_list.Viol_total 4907.896
_Distance_constraint_stats_list.Viol_max 2.097
_Distance_constraint_stats_list.Viol_rms 0.1766
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0529
_Distance_constraint_stats_list.Viol_average_violations_only 0.0819
_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 21 ASP 0.574 0.096 37 0 "[ . 1 . 2 . 3 . 4]"
1 23 ILE 18.841 1.438 34 2 "[ . 1 -. 2 . 3 +. 4]"
1 25 TRP 0.574 0.096 37 0 "[ . 1 . 2 . 3 . 4]"
1 26 ARG 6.923 0.408 2 0 "[ . 1 . 2 . 3 . 4]"
1 27 THR 6.458 0.327 2 0 "[ . 1 . 2 . 3 . 4]"
1 28 LEU 0.113 0.019 10 0 "[ . 1 . 2 . 3 . 4]"
1 29 GLU 0.175 0.030 2 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.050 0.009 5 0 "[ . 1 . 2 . 3 . 4]"
1 31 GLY 0.468 0.028 26 0 "[ . 1 . 2 . 3 . 4]"
1 32 LYS 0.214 0.019 29 0 "[ . 1 . 2 . 3 . 4]"
1 33 LYS 0.175 0.030 2 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLU 0.050 0.009 5 0 "[ . 1 . 2 . 3 . 4]"
1 35 ALA 0.597 0.023 37 0 "[ . 1 . 2 . 3 . 4]"
1 36 ALA 0.101 0.019 29 0 "[ . 1 . 2 . 3 . 4]"
1 40 LEU 0.408 0.023 37 0 "[ . 1 . 2 . 3 . 4]"
1 41 PRO 2.613 0.137 18 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 2.586 0.110 30 0 "[ . 1 . 2 . 3 . 4]"
1 43 MET 2.060 0.092 5 0 "[ . 1 . 2 . 3 . 4]"
1 44 VAL 1.556 0.103 10 0 "[ . 1 . 2 . 3 . 4]"
1 45 ILE 1.782 0.108 7 0 "[ . 1 . 2 . 3 . 4]"
1 46 ILE 0.038 0.022 36 0 "[ . 1 . 2 . 3 . 4]"
1 47 HIS 2.939 0.144 4 0 "[ . 1 . 2 . 3 . 4]"
1 48 LYS 5.831 0.210 14 0 "[ . 1 . 2 . 3 . 4]"
1 54 CYS 1.536 0.107 19 0 "[ . 1 . 2 . 3 . 4]"
1 57 LEU 0.955 0.074 30 0 "[ . 1 . 2 . 3 . 4]"
1 58 LYS 4.548 0.121 17 0 "[ . 1 . 2 . 3 . 4]"
1 61 PHE 0.955 0.074 30 0 "[ . 1 . 2 . 3 . 4]"
1 62 ALA 3.012 0.121 17 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.977 0.082 14 0 "[ . 1 . 2 . 3 . 4]"
1 64 SER 0.003 0.003 2 0 "[ . 1 . 2 . 3 . 4]"
1 65 THR 0.635 0.036 16 0 "[ . 1 . 2 . 3 . 4]"
1 66 GLU 1.088 0.082 14 0 "[ . 1 . 2 . 3 . 4]"
1 67 ILE 0.187 0.052 34 0 "[ . 1 . 2 . 3 . 4]"
1 68 SER 0.635 0.036 16 0 "[ . 1 . 2 . 3 . 4]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 70 LEU 0.111 0.040 9 0 "[ . 1 . 2 . 3 . 4]"
1 71 SER 0.535 0.056 17 0 "[ . 1 . 2 . 3 . 4]"
1 74 PHE 0.351 0.056 17 0 "[ . 1 . 2 . 3 . 4]"
1 75 VAL 3.255 0.137 18 0 "[ . 1 . 2 . 3 . 4]"
1 76 MET 18.095 1.438 34 2 "[ . 1 -. 2 . 3 +. 4]"
1 77 VAL 1.757 0.091 22 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 4.382 0.144 4 0 "[ . 1 . 2 . 3 . 4]"
1 89 ASP 37.989 2.097 10 21 "[ *** * + ** .** *2** -.* 3* **.****4]"
1 90 PHE 2.784 0.174 26 0 "[ . 1 . 2 . 3 . 4]"
1 98 PRO 5.831 0.210 14 0 "[ . 1 . 2 . 3 . 4]"
1 99 ARG 2.822 0.174 26 0 "[ . 1 . 2 . 3 . 4]"
1 100 ILE 1.778 0.117 18 0 "[ . 1 . 2 . 3 . 4]"
1 101 LEU 1.556 0.103 10 0 "[ . 1 . 2 . 3 . 4]"
1 102 PHE 7.791 0.285 36 0 "[ . 1 . 2 . 3 . 4]"
1 103 LEU 2.586 0.110 30 0 "[ . 1 . 2 . 3 . 4]"
1 104 ASP 6.398 0.238 24 0 "[ . 1 . 2 . 3 . 4]"
1 106 SER 0.206 0.063 15 0 "[ . 1 . 2 . 3 . 4]"
1 107 GLY 0.127 0.047 37 0 "[ . 1 . 2 . 3 . 4]"
1 108 LYS 6.064 0.238 24 0 "[ . 1 . 2 . 3 . 4]"
1 109 VAL 37.989 2.097 10 21 "[ *** * + ** .** *2** -.* 3* **.****4]"
1 110 HIS 3.049 0.285 36 0 "[ . 1 . 2 . 3 . 4]"
1 113 ILE 4.742 0.218 3 0 "[ . 1 . 2 . 3 . 4]"
1 115 ASN 0.157 0.032 13 0 "[ . 1 . 2 . 3 . 4]"
1 119 ASN 0.892 0.047 16 0 "[ . 1 . 2 . 3 . 4]"
1 121 SER 0.331 0.037 27 0 "[ . 1 . 2 . 3 . 4]"
1 122 TYR 0.794 0.064 16 0 "[ . 1 . 2 . 3 . 4]"
1 123 LYS 0.562 0.047 16 0 "[ . 1 . 2 . 3 . 4]"
1 124 TYR 1.935 0.117 18 0 "[ . 1 . 2 . 3 . 4]"
1 125 PHE 0.793 0.062 16 0 "[ . 1 . 2 . 3 . 4]"
1 127 VAL 0.178 0.040 35 0 "[ . 1 . 2 . 3 . 4]"
1 128 SER 1.370 0.137 36 0 "[ . 1 . 2 . 3 . 4]"
1 129 ALA 0.171 0.038 10 0 "[ . 1 . 2 . 3 . 4]"
1 130 GLU 4.371 0.155 7 0 "[ . 1 . 2 . 3 . 4]"
1 131 GLN 0.977 0.076 28 0 "[ . 1 . 2 . 3 . 4]"
1 132 VAL 1.437 0.137 36 0 "[ . 1 . 2 . 3 . 4]"
1 133 VAL 1.126 0.087 6 0 "[ . 1 . 2 . 3 . 4]"
1 134 GLN 5.107 0.155 7 0 "[ . 1 . 2 . 3 . 4]"
1 135 GLY 1.292 0.076 28 0 "[ . 1 . 2 . 3 . 4]"
1 136 MET 0.657 0.053 4 0 "[ . 1 . 2 . 3 . 4]"
1 137 LYS 0.955 0.087 6 0 "[ . 1 . 2 . 3 . 4]"
1 138 GLU 0.736 0.063 7 0 "[ . 1 . 2 . 3 . 4]"
1 139 ALA 0.799 0.046 2 0 "[ . 1 . 2 . 3 . 4]"
1 140 GLN 0.589 0.053 4 0 "[ . 1 . 2 . 3 . 4]"
1 143 LEU 0.306 0.046 2 0 "[ . 1 . 2 . 3 . 4]"
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 21 ASP O 1 25 TRP HE1 2.500 . 2.500 2.416 1.867 2.596 0.096 37 0 "[ . 1 . 2 . 3 . 4]" 2
2 1 23 ILE O 1 26 ARG H 2.500 . 2.500 2.673 2.512 2.908 0.408 2 0 "[ . 1 . 2 . 3 . 4]" 2
3 1 27 THR H 1 76 MET O 2.500 . 2.500 2.654 2.542 2.827 0.327 2 0 "[ . 1 . 2 . 3 . 4]" 2
4 1 27 THR O 1 31 GLY H 2.500 . 2.500 2.313 1.891 2.528 0.028 26 0 "[ . 1 . 2 . 3 . 4]" 2
5 1 28 LEU O 1 32 LYS H 2.500 . 2.500 2.233 1.884 2.519 0.019 10 0 "[ . 1 . 2 . 3 . 4]" 2
6 1 29 GLU O 1 33 LYS H 2.500 . 2.500 2.423 1.947 2.530 0.030 2 0 "[ . 1 . 2 . 3 . 4]" 2
7 1 30 ASP O 1 34 GLU H 2.500 . 2.500 2.154 1.891 2.507 0.009 5 0 "[ . 1 . 2 . 3 . 4]" 2
8 1 31 GLY O 1 35 ALA H 2.500 . 2.500 1.986 1.881 2.489 0.019 11 0 "[ . 1 . 2 . 3 . 4]" 2
9 1 32 LYS O 1 36 ALA H 2.500 . 2.500 2.424 2.039 2.519 0.019 29 0 "[ . 1 . 2 . 3 . 4]" 2
10 1 35 ALA O 1 40 LEU H 2.500 . 2.500 2.487 2.228 2.523 0.023 37 0 "[ . 1 . 2 . 3 . 4]" 2
11 1 42 LEU H 1 103 LEU O 2.500 . 2.500 2.486 2.061 2.564 0.064 16 0 "[ . 1 . 2 . 3 . 4]" 2
12 1 43 MET H 1 75 VAL O 2.500 . 2.500 2.160 1.808 2.576 0.092 5 0 "[ . 1 . 2 . 3 . 4]" 2
13 1 44 VAL H 1 101 LEU O 2.500 . 2.500 2.406 1.845 2.603 0.103 10 0 "[ . 1 . 2 . 3 . 4]" 2
14 1 45 ILE H 1 77 VAL O 2.500 . 2.500 2.266 1.840 2.541 0.060 36 0 "[ . 1 . 2 . 3 . 4]" 2
15 1 46 ILE H 1 99 ARG O 2.500 . 2.500 2.140 1.878 2.517 0.022 36 0 "[ . 1 . 2 . 3 . 4]" 2
16 1 47 HIS H 1 79 LEU O 2.500 . 2.500 2.558 2.152 2.644 0.144 4 0 "[ . 1 . 2 . 3 . 4]" 2
17 1 48 LYS H 1 98 PRO O 2.500 . 2.500 2.646 2.552 2.710 0.210 14 0 "[ . 1 . 2 . 3 . 4]" 2
18 1 54 CYS O 1 58 LYS H 2.500 . 2.500 2.534 2.382 2.607 0.107 19 0 "[ . 1 . 2 . 3 . 4]" 2
19 1 57 LEU O 1 61 PHE H 2.500 . 2.500 1.902 1.826 2.305 0.074 30 0 "[ . 1 . 2 . 3 . 4]" 2
20 1 58 LYS O 1 62 ALA H 2.500 . 2.500 2.575 2.511 2.621 0.121 17 0 "[ . 1 . 2 . 3 . 4]" 2
21 1 63 GLU O 1 66 GLU H 2.500 . 2.500 2.509 2.291 2.582 0.082 14 0 "[ . 1 . 2 . 3 . 4]" 2
22 1 64 SER O 1 67 ILE H 2.500 . 2.500 1.974 1.897 2.134 0.003 2 0 "[ . 1 . 2 . 3 . 4]" 2
23 1 65 THR O 1 68 SER H 2.500 . 2.500 2.515 2.446 2.536 0.036 16 0 "[ . 1 . 2 . 3 . 4]" 2
24 1 66 GLU O 1 69 GLU H 2.500 . 2.500 2.202 1.925 2.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 2
25 1 66 GLU O 1 70 LEU H 2.500 . 2.500 2.140 1.860 2.350 0.040 9 0 "[ . 1 . 2 . 3 . 4]" 2
26 1 67 ILE O 1 71 SER H 2.500 . 2.500 2.189 1.866 2.552 0.052 34 0 "[ . 1 . 2 . 3 . 4]" 2
27 1 71 SER O 1 74 PHE H 2.500 . 2.500 2.067 1.844 2.515 0.056 17 0 "[ . 1 . 2 . 3 . 4]" 2
28 1 41 PRO O 1 75 VAL H 2.500 . 2.500 2.565 2.510 2.637 0.137 18 0 "[ . 1 . 2 . 3 . 4]" 2
29 1 23 ILE O 1 76 MET H 2.500 . 2.500 2.798 2.552 3.938 1.438 34 2 "[ . 1 -. 2 . 3 +. 4]" 2
30 1 43 MET O 1 77 VAL H 2.500 . 2.500 2.409 1.868 2.591 0.091 22 0 "[ . 1 . 2 . 3 . 4]" 2
31 1 45 ILE O 1 79 LEU H 2.500 . 2.500 2.489 2.001 2.608 0.108 7 0 "[ . 1 . 2 . 3 . 4]" 2
32 1 90 PHE O 1 99 ARG H 2.500 . 2.500 2.570 2.505 2.674 0.174 26 0 "[ . 1 . 2 . 3 . 4]" 2
33 1 100 ILE H 1 124 TYR O 2.500 . 2.500 2.537 2.292 2.617 0.117 18 0 "[ . 1 . 2 . 3 . 4]" 2
34 1 44 VAL O 1 101 LEU H 2.500 . 2.500 2.068 1.811 2.545 0.089 34 0 "[ . 1 . 2 . 3 . 4]" 2
35 1 102 PHE H 1 113 ILE O 2.500 . 2.500 2.619 2.513 2.718 0.218 3 0 "[ . 1 . 2 . 3 . 4]" 2
36 1 42 LEU O 1 103 LEU H 2.500 . 2.500 2.448 1.857 2.610 0.110 30 0 "[ . 1 . 2 . 3 . 4]" 2
37 1 104 ASP H 1 108 LYS O 2.500 . 2.500 2.495 2.083 2.616 0.116 18 0 "[ . 1 . 2 . 3 . 4]" 2
38 1 104 ASP O 1 106 SER H 2.500 . 2.500 2.331 1.837 2.522 0.063 15 0 "[ . 1 . 2 . 3 . 4]" 2
39 1 104 ASP O 1 107 GLY H 2.500 . 2.500 2.113 1.853 2.525 0.047 37 0 "[ . 1 . 2 . 3 . 4]" 2
40 1 104 ASP O 1 108 LYS H 2.500 . 2.500 2.620 2.575 2.738 0.238 24 0 "[ . 1 . 2 . 3 . 4]" 2
41 1 89 ASP OD1 1 109 VAL H 2.500 . 2.500 3.450 2.519 4.597 2.097 10 21 "[ *** * + ** .** *2** -.* 3* **.****4]" 2
42 1 102 PHE O 1 110 HIS H 2.500 . 2.500 2.576 2.506 2.785 0.285 36 0 "[ . 1 . 2 . 3 . 4]" 2
43 1 115 ASN HD21 1 125 PHE O 2.500 . 2.500 2.294 1.885 2.532 0.032 13 0 "[ . 1 . 2 . 3 . 4]" 2
44 1 119 ASN O 1 121 SER H 2.500 . 2.500 2.018 1.863 2.510 0.037 27 0 "[ . 1 . 2 . 3 . 4]" 2
45 1 119 ASN O 1 123 LYS H 2.500 . 2.500 2.455 2.119 2.547 0.047 16 0 "[ . 1 . 2 . 3 . 4]" 2
46 1 122 TYR O 1 124 TYR H 2.500 . 2.500 2.268 2.085 2.564 0.064 16 0 "[ . 1 . 2 . 3 . 4]" 2
47 1 122 TYR O 1 125 PHE H 2.500 . 2.500 2.443 1.838 2.537 0.062 16 0 "[ . 1 . 2 . 3 . 4]" 2
48 1 127 VAL H 1 131 GLN NE2 2.500 . 2.500 2.412 2.236 2.540 0.040 35 0 "[ . 1 . 2 . 3 . 4]" 2
49 1 128 SER O 1 132 VAL H 2.500 . 2.500 2.507 2.223 2.637 0.137 36 0 "[ . 1 . 2 . 3 . 4]" 2
50 1 129 ALA O 1 133 VAL H 2.500 . 2.500 2.292 1.887 2.538 0.038 10 0 "[ . 1 . 2 . 3 . 4]" 2
51 1 130 GLU O 1 134 GLN H 2.500 . 2.500 2.609 2.536 2.655 0.155 7 0 "[ . 1 . 2 . 3 . 4]" 2
52 1 131 GLN O 1 135 GLY H 2.500 . 2.500 1.883 1.824 1.974 0.076 28 0 "[ . 1 . 2 . 3 . 4]" 2
53 1 132 VAL O 1 136 MET H 2.500 . 2.500 2.390 2.140 2.520 0.020 22 0 "[ . 1 . 2 . 3 . 4]" 2
54 1 133 VAL O 1 137 LYS H 2.500 . 2.500 1.894 1.813 2.234 0.087 6 0 "[ . 1 . 2 . 3 . 4]" 2
55 1 134 GLN O 1 138 GLU H 2.500 . 2.500 2.493 2.263 2.563 0.063 7 0 "[ . 1 . 2 . 3 . 4]" 2
56 1 135 GLY O 1 139 ALA H 2.500 . 2.500 2.441 1.981 2.541 0.041 37 0 "[ . 1 . 2 . 3 . 4]" 2
57 1 136 MET O 1 140 GLN H 2.500 . 2.500 2.424 1.866 2.553 0.053 4 0 "[ . 1 . 2 . 3 . 4]" 2
58 1 139 ALA O 1 143 LEU H 2.500 . 2.500 1.972 1.854 2.516 0.046 2 0 "[ . 1 . 2 . 3 . 4]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, April 20, 2024 3:09:26 PM GMT (wattos1)