NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374219 |
1e88   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e88
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 1475
_Distance_constraint_stats_list.Viol_count 2522
_Distance_constraint_stats_list.Viol_total 1862.762
_Distance_constraint_stats_list.Viol_max 0.999
_Distance_constraint_stats_list.Viol_rms 0.0324
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0369
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 HIS 0.177 0.033 17 0 "[ . 1 . 2]"
1 4 CYS 2.341 0.811 20 2 "[ . 1 - . +]"
1 5 VAL 0.295 0.116 8 0 "[ . 1 . 2]"
1 6 THR 0.833 0.102 4 0 "[ . 1 . 2]"
1 7 ASP 0.012 0.009 1 0 "[ . 1 . 2]"
1 8 SER 1.445 0.334 6 0 "[ . 1 . 2]"
1 9 GLY 1.400 0.334 6 0 "[ . 1 . 2]"
1 10 VAL 1.704 0.153 4 0 "[ . 1 . 2]"
1 11 VAL 0.332 0.147 18 0 "[ . 1 . 2]"
1 12 TYR 3.595 0.811 20 2 "[ . 1 - . +]"
1 13 SER 0.180 0.033 17 0 "[ . 1 . 2]"
1 14 VAL 1.101 0.096 8 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 MET 3.668 0.543 10 1 "[ . + . 2]"
1 17 GLN 0.097 0.016 8 0 "[ . 1 . 2]"
1 18 TRP 0.607 0.070 20 0 "[ . 1 . 2]"
1 19 LEU 0.154 0.029 8 0 "[ . 1 . 2]"
1 20 LYS 0.354 0.038 8 0 "[ . 1 . 2]"
1 21 THR 0.084 0.032 13 0 "[ . 1 . 2]"
1 22 GLN 2.131 0.999 10 2 "[- . + . 2]"
1 23 GLY 0.228 0.049 20 0 "[ . 1 . 2]"
1 24 ASN 0.286 0.049 20 0 "[ . 1 . 2]"
1 25 LYS 2.210 0.999 10 2 "[- . + . 2]"
1 26 GLN 0.023 0.010 20 0 "[ . 1 . 2]"
1 27 MET 2.104 0.351 5 0 "[ . 1 . 2]"
1 28 LEU 4.209 0.916 15 2 "[ -. 1 + 2]"
1 29 CYS 0.209 0.147 2 0 "[ . 1 . 2]"
1 30 THR 1.714 0.138 9 0 "[ . 1 . 2]"
1 31 CYS 0.082 0.014 6 0 "[ . 1 . 2]"
1 32 LEU 0.432 0.050 10 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASN 0.130 0.019 16 0 "[ . 1 . 2]"
1 35 GLY 0.140 0.025 16 0 "[ . 1 . 2]"
1 36 VAL 0.220 0.044 3 0 "[ . 1 . 2]"
1 37 SER 0.030 0.007 3 0 "[ . 1 . 2]"
1 38 CYS 0.151 0.147 2 0 "[ . 1 . 2]"
1 39 GLN 0.051 0.015 17 0 "[ . 1 . 2]"
1 40 GLU 0.212 0.025 15 0 "[ . 1 . 2]"
1 41 THR 0.067 0.033 2 0 "[ . 1 . 2]"
1 42 ALA 0.274 0.151 8 0 "[ . 1 . 2]"
1 43 VAL 0.414 0.151 8 0 "[ . 1 . 2]"
1 44 THR 0.393 0.116 11 0 "[ . 1 . 2]"
1 45 GLN 0.012 0.003 20 0 "[ . 1 . 2]"
1 46 THR 0.161 0.009 16 0 "[ . 1 . 2]"
1 47 TYR 0.092 0.010 16 0 "[ . 1 . 2]"
1 48 GLY 0.670 0.669 19 1 "[ . 1 . +2]"
1 49 GLY 0.046 0.007 2 0 "[ . 1 . 2]"
1 50 ASN 0.004 0.004 19 0 "[ . 1 . 2]"
1 51 SER 0.394 0.040 18 0 "[ . 1 . 2]"
1 52 ASN 0.622 0.117 19 0 "[ . 1 . 2]"
1 53 GLY 0.875 0.669 19 1 "[ . 1 . +2]"
1 54 GLU 0.256 0.113 2 0 "[ . 1 . 2]"
1 55 PRO 0.041 0.005 13 0 "[ . 1 . 2]"
1 56 CYS 3.229 0.939 11 2 "[ . - 1+ . 2]"
1 57 VAL 0.101 0.053 12 0 "[ . 1 . 2]"
1 58 LEU 3.225 0.939 11 2 "[ . - 1+ . 2]"
1 59 PRO 3.498 0.622 13 2 "[ .- 1 + . 2]"
1 60 PHE 0.181 0.034 15 0 "[ . 1 . 2]"
1 61 THR 1.770 0.081 20 0 "[ . 1 . 2]"
1 62 TYR 1.715 0.117 19 0 "[ . 1 . 2]"
1 63 ASN 1.571 0.688 6 1 "[ .+ 1 . 2]"
1 64 GLY 0.076 0.050 19 0 "[ . 1 . 2]"
1 65 ARG 1.311 0.110 19 0 "[ . 1 . 2]"
1 66 THR 1.346 0.386 20 0 "[ . 1 . 2]"
1 67 PHE 3.669 0.688 6 1 "[ .+ 1 . 2]"
1 68 TYR 2.543 0.622 13 2 "[ .- 1 + . 2]"
1 69 SER 0.444 0.444 19 0 "[ . 1 . 2]"
1 70 CYS 0.445 0.444 19 0 "[ . 1 . 2]"
1 71 THR 0.214 0.062 16 0 "[ . 1 . 2]"
1 72 THR 0.375 0.109 17 0 "[ . 1 . 2]"
1 73 GLU 0.144 0.027 17 0 "[ . 1 . 2]"
1 74 GLY 0.019 0.019 17 0 "[ . 1 . 2]"
1 75 ARG 0.767 0.163 10 0 "[ . 1 . 2]"
1 76 GLN 5.632 0.927 10 5 "[ - . + * * *2]"
1 77 ASP 4.816 0.927 10 5 "[ - . + * * *2]"
1 78 GLY 4.059 0.257 19 0 "[ . 1 . 2]"
1 79 HIS 0.259 0.221 17 0 "[ . 1 . 2]"
1 80 LEU 0.305 0.146 15 0 "[ . 1 . 2]"
1 81 TRP 0.436 0.055 17 0 "[ . 1 . 2]"
1 82 CYS 0.030 0.007 15 0 "[ . 1 . 2]"
1 83 SER 0.004 0.003 13 0 "[ . 1 . 2]"
1 84 THR 0.317 0.113 2 0 "[ . 1 . 2]"
1 85 THR 0.177 0.037 20 0 "[ . 1 . 2]"
1 86 SER 0.001 0.001 17 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 TYR 0.966 0.079 20 0 "[ . 1 . 2]"
1 89 GLU 0.814 0.100 9 0 "[ . 1 . 2]"
1 90 GLN 0.035 0.011 5 0 "[ . 1 . 2]"
1 91 ASP 0.093 0.019 11 0 "[ . 1 . 2]"
1 92 GLN 0.151 0.040 14 0 "[ . 1 . 2]"
1 93 LYS 0.027 0.006 12 0 "[ . 1 . 2]"
1 94 TYR 0.313 0.020 20 0 "[ . 1 . 2]"
1 95 SER 0.015 0.006 20 0 "[ . 1 . 2]"
1 96 PHE 0.289 0.020 2 0 "[ . 1 . 2]"
1 97 CYS 0.576 0.146 15 0 "[ . 1 . 2]"
1 98 THR 0.785 0.066 20 0 "[ . 1 . 2]"
1 99 ASP 1.077 0.095 19 0 "[ . 1 . 2]"
1 100 HIS 4.239 0.465 10 0 "[ . 1 . 2]"
1 101 THR 1.678 0.146 20 0 "[ . 1 . 2]"
1 102 VAL 0.257 0.064 6 0 "[ . 1 . 2]"
1 103 LEU 2.627 0.916 15 2 "[ -. 1 + 2]"
1 104 VAL 6.898 0.786 10 6 "[ *.* + * . * -]"
1 105 GLN 0.039 0.011 10 0 "[ . 1 . 2]"
1 106 THR 1.923 0.094 2 0 "[ . 1 . 2]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.083 0.016 6 0 "[ . 1 . 2]"
1 109 GLY 0.628 0.391 1 0 "[ . 1 . 2]"
1 110 ASN 0.096 0.016 6 0 "[ . 1 . 2]"
1 111 SER 0.793 0.391 1 0 "[ . 1 . 2]"
1 112 ASN 0.231 0.017 9 0 "[ . 1 . 2]"
1 113 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 2.181 0.096 10 0 "[ . 1 . 2]"
1 115 LEU 0.056 0.021 12 0 "[ . 1 . 2]"
1 116 CYS 1.442 0.149 11 0 "[ . 1 . 2]"
1 117 HIS 1.386 0.284 9 0 "[ . 1 . 2]"
1 118 PHE 4.472 0.117 7 0 "[ . 1 . 2]"
1 119 PRO 1.802 0.632 15 1 "[ . 1 + 2]"
1 120 PHE 2.027 0.632 15 1 "[ . 1 + 2]"
1 121 LEU 4.531 0.708 14 2 "[ - . 1 +. 2]"
1 122 TYR 1.997 0.096 5 0 "[ . 1 . 2]"
1 123 ASN 0.199 0.033 5 0 "[ . 1 . 2]"
1 124 ASN 4.393 0.708 14 2 "[ - . 1 +. 2]"
1 125 HIS 0.179 0.027 18 0 "[ . 1 . 2]"
1 126 ASN 0.121 0.041 20 0 "[ . 1 . 2]"
1 127 TYR 0.727 0.333 16 0 "[ . 1 . 2]"
1 128 THR 0.992 0.083 15 0 "[ . 1 . 2]"
1 129 ASP 2.217 0.333 16 0 "[ . 1 . 2]"
1 130 CYS 0.936 0.080 7 0 "[ . 1 . 2]"
1 131 THR 0.859 0.066 15 0 "[ . 1 . 2]"
1 132 SER 0.029 0.003 14 0 "[ . 1 . 2]"
1 133 GLU 0.052 0.021 15 0 "[ . 1 . 2]"
1 134 GLY 0.001 0.001 17 0 "[ . 1 . 2]"
1 135 ARG 5.290 0.980 15 4 "[ *- .* 1 + 2]"
1 136 ARG 0.223 0.053 6 0 "[ . 1 . 2]"
1 137 ASP 0.046 0.009 16 0 "[ . 1 . 2]"
1 138 ASN 0.689 0.136 6 0 "[ . 1 . 2]"
1 139 MET 1.998 0.980 15 2 "[ .- 1 + 2]"
1 140 LYS 0.037 0.005 14 0 "[ . 1 . 2]"
1 141 TRP 0.489 0.021 15 0 "[ . 1 . 2]"
1 142 CYS 0.005 0.005 16 0 "[ . 1 . 2]"
1 143 GLY 0.001 0.001 14 0 "[ . 1 . 2]"
1 144 THR 0.060 0.020 13 0 "[ . 1 . 2]"
1 145 THR 3.492 0.979 4 3 "[ +. - .* 2]"
1 146 GLN 1.457 0.284 9 0 "[ . 1 . 2]"
1 147 ASN 3.053 0.309 1 0 "[ . 1 . 2]"
1 148 TYR 1.552 0.182 11 0 "[ . 1 . 2]"
1 149 ASP 0.210 0.045 5 0 "[ . 1 . 2]"
1 150 ALA 3.053 0.916 9 1 "[ . +1 . 2]"
1 151 ASP 1.524 0.916 9 1 "[ . +1 . 2]"
1 152 GLN 0.072 0.022 16 0 "[ . 1 . 2]"
1 153 LYS 3.949 0.979 4 3 "[ +. - .* 2]"
1 154 PHE 0.209 0.020 13 0 "[ . 1 . 2]"
1 155 GLY 0.008 0.008 2 0 "[ . 1 . 2]"
1 156 PHE 0.048 0.015 16 0 "[ . 1 . 2]"
1 157 CYS 0.140 0.032 16 0 "[ . 1 . 2]"
1 158 PRO 5.696 0.786 10 6 "[ *.* + * . * -]"
1 159 MET 0.007 0.007 4 0 "[ . 1 . 2]"
1 160 ALA 0.001 0.001 4 0 "[ . 1 . 2]"
2 1 NAG 0.382 0.161 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 VAL H 1 5 VAL HB 0.000 . 3.500 2.938 2.392 3.616 0.116 8 0 "[ . 1 . 2]" 1
2 1 6 THR H 1 6 THR MG 0.000 . 3.500 2.209 1.796 2.794 . 0 0 "[ . 1 . 2]" 1
3 1 10 VAL H 1 10 VAL HB 0.000 . 3.500 2.865 2.344 3.233 . 0 0 "[ . 1 . 2]" 1
4 1 10 VAL H 1 10 VAL QG 0.000 . 2.700 2.231 1.842 2.706 0.006 19 0 "[ . 1 . 2]" 1
5 1 11 VAL H 1 11 VAL HB 0.000 . 3.500 3.044 2.601 3.647 0.147 18 0 "[ . 1 . 2]" 1
6 1 12 TYR H 1 12 TYR QD 0.000 . 5.000 2.919 2.411 3.645 . 0 0 "[ . 1 . 2]" 1
7 1 14 VAL H 1 14 VAL HB 0.000 . 3.500 3.365 2.614 3.596 0.096 8 0 "[ . 1 . 2]" 1
8 1 14 VAL H 1 14 VAL QG 0.000 . 3.500 1.819 1.782 1.979 . 0 0 "[ . 1 . 2]" 1
9 1 16 MET H 1 16 MET HG3 0.000 . 5.000 4.504 2.770 5.034 0.034 9 0 "[ . 1 . 2]" 1
10 1 16 MET H 1 16 MET HG2 0.000 . 5.000 4.518 3.680 4.905 . 0 0 "[ . 1 . 2]" 1
11 1 17 GLN H 1 17 GLN HG2 0.000 . 5.000 3.138 1.862 3.600 . 0 0 "[ . 1 . 2]" 1
12 1 18 TRP H 1 18 TRP HE3 0.000 . 5.000 3.482 2.026 3.791 . 0 0 "[ . 1 . 2]" 1
13 1 20 LYS H 1 20 LYS QD 0.000 . 5.000 3.998 2.556 4.675 . 0 0 "[ . 1 . 2]" 1
14 1 20 LYS H 1 20 LYS QE 0.000 . 5.000 4.801 3.422 5.014 0.014 20 0 "[ . 1 . 2]" 1
15 1 20 LYS H 1 20 LYS QG 0.000 . 5.000 2.955 1.942 4.139 . 0 0 "[ . 1 . 2]" 1
16 1 21 THR H 1 21 THR HB 0.000 . 3.500 3.087 2.468 3.511 0.011 10 0 "[ . 1 . 2]" 1
17 1 22 GLN H 1 22 GLN QG 0.000 . 5.000 3.737 2.261 4.101 . 0 0 "[ . 1 . 2]" 1
18 1 23 GLY H 1 23 GLY HA3 0.000 . 2.700 2.445 2.311 2.575 . 0 0 "[ . 1 . 2]" 1
19 1 24 ASN H 1 24 ASN QB 0.000 . 3.500 2.784 2.327 3.262 . 0 0 "[ . 1 . 2]" 1
20 1 25 LYS H 1 25 LYS QB 0.000 . 3.500 3.096 2.579 3.380 . 0 0 "[ . 1 . 2]" 1
21 1 25 LYS H 1 25 LYS QD 0.000 . 5.000 4.183 2.499 4.996 . 0 0 "[ . 1 . 2]" 1
22 1 25 LYS H 1 25 LYS HG3 0.000 . 5.000 3.256 2.257 4.385 . 0 0 "[ . 1 . 2]" 1
23 1 25 LYS H 1 25 LYS HG2 0.000 . 5.000 3.344 2.258 4.524 . 0 0 "[ . 1 . 2]" 1
24 1 26 GLN H 1 26 GLN QB 0.000 . 3.500 2.446 2.095 2.985 . 0 0 "[ . 1 . 2]" 1
25 1 26 GLN H 1 26 GLN HG3 0.000 . 5.000 3.456 2.008 4.885 . 0 0 "[ . 1 . 2]" 1
26 1 26 GLN H 1 26 GLN HG2 0.000 . 5.000 3.946 2.370 4.712 . 0 0 "[ . 1 . 2]" 1
27 1 27 MET H 1 27 MET HG3 0.000 . 5.000 3.881 3.145 4.937 . 0 0 "[ . 1 . 2]" 1
28 1 27 MET H 1 27 MET HG2 0.000 . 5.000 3.926 2.578 4.371 . 0 0 "[ . 1 . 2]" 1
29 1 28 LEU H 1 28 LEU QD 0.000 . 5.000 3.355 1.899 3.768 . 0 0 "[ . 1 . 2]" 1
30 1 28 LEU H 1 28 LEU HG 0.000 . 5.000 3.966 2.351 4.670 . 0 0 "[ . 1 . 2]" 1
31 1 32 LEU H 1 32 LEU HG 0.000 . 5.000 3.425 3.249 3.672 . 0 0 "[ . 1 . 2]" 1
32 1 36 VAL H 1 36 VAL HB 0.000 . 3.500 2.759 2.390 3.544 0.044 3 0 "[ . 1 . 2]" 1
33 1 36 VAL H 1 36 VAL QG 0.000 . 3.500 2.331 1.775 2.795 . 0 0 "[ . 1 . 2]" 1
34 1 39 GLN H 1 39 GLN HG3 0.000 . 5.000 4.404 3.700 4.934 . 0 0 "[ . 1 . 2]" 1
35 1 39 GLN H 1 39 GLN HG2 0.000 . 5.000 4.584 2.781 4.994 . 0 0 "[ . 1 . 2]" 1
36 1 40 GLU H 1 40 GLU HB3 0.000 . 3.500 3.370 2.904 3.525 0.025 1 0 "[ . 1 . 2]" 1
37 1 40 GLU H 1 40 GLU HB2 0.000 . 3.500 2.603 2.060 3.525 0.025 15 0 "[ . 1 . 2]" 1
38 1 40 GLU H 1 40 GLU QG 0.000 . 3.500 2.633 1.808 3.499 . 0 0 "[ . 1 . 2]" 1
39 1 42 ALA H 1 42 ALA MB 0.000 . 2.700 2.471 2.092 2.703 0.003 19 0 "[ . 1 . 2]" 1
40 1 43 VAL H 1 43 VAL HB 0.000 . 3.500 3.068 2.507 3.565 0.065 20 0 "[ . 1 . 2]" 1
41 1 44 THR H 1 44 THR MG 0.000 . 3.500 3.089 2.043 3.616 0.116 11 0 "[ . 1 . 2]" 1
42 1 45 GLN H 1 45 GLN QB 0.000 . 3.500 2.369 2.046 3.021 . 0 0 "[ . 1 . 2]" 1
43 1 45 GLN H 1 45 GLN HG3 0.000 . 5.000 4.115 2.354 5.001 0.001 7 0 "[ . 1 . 2]" 1
44 1 45 GLN H 1 45 GLN HG2 0.000 . 5.000 4.366 1.888 5.002 0.002 7 0 "[ . 1 . 2]" 1
45 1 46 THR H 1 46 THR MG 0.000 . 3.500 2.594 2.048 3.399 . 0 0 "[ . 1 . 2]" 1
46 1 47 TYR H 1 47 TYR QD 0.000 . 5.000 3.314 2.739 3.721 . 0 0 "[ . 1 . 2]" 1
47 1 47 TYR H 1 47 TYR QE 0.000 . 5.000 4.566 4.023 5.004 0.004 19 0 "[ . 1 . 2]" 1
48 1 52 ASN H 1 52 ASN HA 0.000 . 2.700 2.304 2.272 2.817 0.117 19 0 "[ . 1 . 2]" 1
49 1 54 GLU H 1 54 GLU HG3 0.000 . 5.000 3.941 3.372 4.644 . 0 0 "[ . 1 . 2]" 1
50 1 54 GLU H 1 54 GLU HG2 0.000 . 5.000 4.646 4.248 4.997 . 0 0 "[ . 1 . 2]" 1
51 1 57 VAL H 1 57 VAL HB 0.000 . 3.500 3.163 3.017 3.553 0.053 12 0 "[ . 1 . 2]" 1
52 1 58 LEU H 1 58 LEU QD 0.000 . 5.000 2.526 1.857 3.125 . 0 0 "[ . 1 . 2]" 1
53 1 58 LEU H 1 58 LEU HG 0.000 . 5.000 2.113 1.862 2.890 . 0 0 "[ . 1 . 2]" 1
54 1 61 THR H 1 61 THR HB 0.000 . 3.500 3.476 2.642 3.581 0.081 20 0 "[ . 1 . 2]" 1
55 1 62 TYR H 1 62 TYR QD 0.000 . 5.000 4.158 3.735 4.472 . 0 0 "[ . 1 . 2]" 1
56 1 63 ASN H 1 63 ASN HA 0.000 . 2.700 2.279 2.262 2.288 . 0 0 "[ . 1 . 2]" 1
57 1 65 ARG H 1 65 ARG QB 0.000 . 3.500 2.385 2.276 2.587 . 0 0 "[ . 1 . 2]" 1
58 1 65 ARG H 1 65 ARG QD 0.000 . 5.000 4.482 4.026 4.953 . 0 0 "[ . 1 . 2]" 1
59 1 65 ARG H 1 65 ARG QG 0.000 . 3.500 3.261 2.949 3.433 . 0 0 "[ . 1 . 2]" 1
60 1 66 THR H 1 66 THR HB 0.000 . 2.700 2.634 2.399 2.711 0.011 19 0 "[ . 1 . 2]" 1
61 1 67 PHE H 1 67 PHE QD 0.000 . 5.000 1.915 1.843 2.179 . 0 0 "[ . 1 . 2]" 1
62 1 68 TYR H 1 68 TYR QE 0.000 . 5.000 4.860 4.393 5.000 0.000 16 0 "[ . 1 . 2]" 1
63 1 71 THR H 1 71 THR MG 0.000 . 3.500 2.583 2.320 2.885 . 0 0 "[ . 1 . 2]" 1
64 1 73 GLU H 1 73 GLU QB 0.000 . 3.500 2.151 2.041 2.432 . 0 0 "[ . 1 . 2]" 1
65 1 73 GLU H 1 73 GLU QG 0.000 . 5.000 3.411 2.813 3.872 . 0 0 "[ . 1 . 2]" 1
66 1 75 ARG H 1 75 ARG HG3 0.000 . 5.000 3.582 2.022 4.596 . 0 0 "[ . 1 . 2]" 1
67 1 75 ARG H 1 75 ARG HG2 0.000 . 5.000 2.839 2.358 4.529 . 0 0 "[ . 1 . 2]" 1
68 1 76 GLN H 1 76 GLN HB2 0.000 . 3.500 2.815 2.148 3.783 0.283 2 0 "[ . 1 . 2]" 1
69 1 76 GLN H 1 76 GLN HG3 0.000 . 5.000 3.970 2.394 4.865 . 0 0 "[ . 1 . 2]" 1
70 1 78 GLY H 1 78 GLY HA2 0.000 . 2.700 2.881 2.704 2.957 0.257 19 0 "[ . 1 . 2]" 1
71 1 80 LEU H 1 80 LEU QD 0.000 . 5.000 2.060 1.759 2.824 . 0 0 "[ . 1 . 2]" 1
72 1 80 LEU H 1 80 LEU HG 0.000 . 5.000 3.275 2.143 3.725 . 0 0 "[ . 1 . 2]" 1
73 1 81 TRP H 1 81 TRP HE1 0.000 . 5.000 4.295 3.888 4.709 . 0 0 "[ . 1 . 2]" 1
74 1 81 TRP H 1 81 TRP HD1 0.000 . 5.000 2.456 2.056 2.964 . 0 0 "[ . 1 . 2]" 1
75 1 85 THR H 1 85 THR HG1 0.000 . 5.000 3.298 2.432 4.082 . 0 0 "[ . 1 . 2]" 1
76 1 88 TYR H 1 88 TYR QD 0.000 . 5.000 4.178 4.068 4.205 . 0 0 "[ . 1 . 2]" 1
77 1 89 GLU H 1 89 GLU HB3 0.000 . 3.500 3.354 2.564 3.600 0.100 9 0 "[ . 1 . 2]" 1
78 1 89 GLU H 1 89 GLU HG2 0.000 . 5.000 2.795 1.927 4.421 . 0 0 "[ . 1 . 2]" 1
79 1 90 GLN H 1 90 GLN QB 0.000 . 3.500 2.213 2.051 2.339 . 0 0 "[ . 1 . 2]" 1
80 1 90 GLN H 1 90 GLN HG3 0.000 . 5.000 4.296 3.339 4.702 . 0 0 "[ . 1 . 2]" 1
81 1 92 GLN QB 1 92 GLN HE22 0.000 . 5.000 3.547 3.127 4.268 . 0 0 "[ . 1 . 2]" 1
82 1 92 GLN H 1 92 GLN QG 0.000 . 5.000 3.738 2.587 4.599 . 0 0 "[ . 1 . 2]" 1
83 1 93 LYS H 1 93 LYS HD3 0.000 . 5.000 3.996 2.580 5.001 0.001 5 0 "[ . 1 . 2]" 1
84 1 93 LYS H 1 93 LYS HD2 0.000 . 5.000 4.661 3.774 5.001 0.001 18 0 "[ . 1 . 2]" 1
85 1 93 LYS H 1 93 LYS QG 0.000 . 5.000 2.769 1.836 4.164 . 0 0 "[ . 1 . 2]" 1
86 1 94 TYR H 1 94 TYR QD 0.000 . 5.000 3.419 3.196 3.551 . 0 0 "[ . 1 . 2]" 1
87 1 94 TYR H 1 94 TYR QE 0.000 . 5.000 4.603 4.308 4.772 . 0 0 "[ . 1 . 2]" 1
88 1 96 PHE H 1 96 PHE QD 0.000 . 5.000 2.798 2.620 2.922 . 0 0 "[ . 1 . 2]" 1
89 1 96 PHE H 1 96 PHE HZ 0.000 . 5.000 5.009 5.001 5.020 0.020 2 0 "[ . 1 . 2]" 1
90 1 98 THR H 1 98 THR MG 0.000 . 3.500 2.414 1.821 3.541 0.041 20 0 "[ . 1 . 2]" 1
91 1 100 HIS H 1 100 HIS HA 0.000 . 2.700 2.590 2.290 2.896 0.196 14 0 "[ . 1 . 2]" 1
92 1 100 HIS H 1 100 HIS HB2 0.000 . 3.500 3.140 2.265 3.965 0.465 10 0 "[ . 1 . 2]" 1
93 1 100 HIS H 1 100 HIS HD2 0.000 . 5.000 4.074 2.011 5.004 0.004 3 0 "[ . 1 . 2]" 1
94 1 101 THR H 1 101 THR HB 0.000 . 2.700 2.599 2.234 2.817 0.117 18 0 "[ . 1 . 2]" 1
95 1 101 THR H 1 101 THR MG 0.000 . 3.500 2.949 2.140 3.646 0.146 20 0 "[ . 1 . 2]" 1
96 1 102 VAL H 1 102 VAL HB 0.000 . 3.500 3.092 2.483 3.564 0.064 6 0 "[ . 1 . 2]" 1
97 1 103 LEU H 1 103 LEU QD 0.000 . 5.000 2.562 2.020 3.251 . 0 0 "[ . 1 . 2]" 1
98 1 103 LEU H 1 103 LEU HG 0.000 . 5.000 3.188 2.199 4.621 . 0 0 "[ . 1 . 2]" 1
99 1 105 GLN H 1 105 GLN QG 0.000 . 5.000 3.290 2.271 4.019 . 0 0 "[ . 1 . 2]" 1
100 1 107 ARG H 1 107 ARG QG 0.000 . 5.000 3.100 1.966 4.233 . 0 0 "[ . 1 . 2]" 1
101 1 112 ASN H 1 112 ASN HA 0.000 . 2.700 2.372 2.275 2.695 . 0 0 "[ . 1 . 2]" 1
102 1 114 ALA H 1 114 ALA MB 0.000 . 2.700 2.389 2.173 2.481 . 0 0 "[ . 1 . 2]" 1
103 1 115 LEU H 1 115 LEU HG 0.000 . 5.000 4.281 3.462 4.639 . 0 0 "[ . 1 . 2]" 1
104 1 118 PHE H 1 118 PHE QD 0.000 . 5.000 3.119 2.313 4.089 . 0 0 "[ . 1 . 2]" 1
105 1 121 LEU H 1 121 LEU QD 0.000 . 5.000 3.557 3.328 3.833 . 0 0 "[ . 1 . 2]" 1
106 1 124 ASN H 1 124 ASN HA 0.000 . 2.700 2.306 2.269 2.790 0.090 18 0 "[ . 1 . 2]" 1
107 1 125 HIS H 1 125 HIS HB2 0.000 . 3.500 2.729 2.472 3.388 . 0 0 "[ . 1 . 2]" 1
108 1 127 TYR H 1 127 TYR QD 0.000 . 5.000 3.509 2.924 4.077 . 0 0 "[ . 1 . 2]" 1
109 1 131 THR H 1 131 THR MG 0.000 . 3.500 2.153 1.846 2.492 . 0 0 "[ . 1 . 2]" 1
110 1 133 GLU H 1 133 GLU QG 0.000 . 5.000 3.252 2.153 3.839 . 0 0 "[ . 1 . 2]" 1
111 1 135 ARG H 1 135 ARG HD3 0.000 . 5.000 5.025 4.188 5.885 0.885 2 2 "[ +- . 1 . 2]" 1
112 1 135 ARG H 1 135 ARG QG 0.000 . 5.000 3.224 2.013 4.160 . 0 0 "[ . 1 . 2]" 1
113 1 136 ARG H 1 136 ARG QG 0.000 . 5.000 3.341 1.874 4.231 . 0 0 "[ . 1 . 2]" 1
114 1 138 ASN H 1 138 ASN HA 0.000 . 2.700 2.614 2.282 2.836 0.136 6 0 "[ . 1 . 2]" 1
115 1 139 MET H 1 139 MET HG2 0.000 . 5.000 4.627 2.380 5.002 0.002 18 0 "[ . 1 . 2]" 1
116 1 139 MET H 1 139 MET HG3 0.000 . 5.000 4.441 3.622 4.844 . 0 0 "[ . 1 . 2]" 1
117 1 140 LYS H 1 140 LYS QD 0.000 . 5.000 3.306 1.869 4.999 . 0 0 "[ . 1 . 2]" 1
118 1 140 LYS H 1 140 LYS HG3 0.000 . 5.000 3.501 2.423 4.315 . 0 0 "[ . 1 . 2]" 1
119 1 140 LYS H 1 140 LYS HG2 0.000 . 5.000 3.254 1.979 4.884 . 0 0 "[ . 1 . 2]" 1
120 1 141 TRP H 1 141 TRP HD1 0.000 . 5.000 2.960 2.292 3.528 . 0 0 "[ . 1 . 2]" 1
121 1 146 GLN H 1 146 GLN HG3 0.000 . 5.000 3.746 1.851 4.552 . 0 0 "[ . 1 . 2]" 1
122 1 146 GLN H 1 146 GLN HG2 0.000 . 5.000 3.461 2.240 4.576 . 0 0 "[ . 1 . 2]" 1
123 1 148 TYR H 1 148 TYR QD 0.000 . 5.000 4.148 4.071 4.204 . 0 0 "[ . 1 . 2]" 1
124 1 150 ALA H 1 150 ALA MB 0.000 . 2.700 2.195 2.121 2.288 . 0 0 "[ . 1 . 2]" 1
125 1 152 GLN H 1 152 GLN QG 0.000 . 5.000 3.831 2.636 4.392 . 0 0 "[ . 1 . 2]" 1
126 1 153 LYS H 1 153 LYS HD3 0.000 . 5.000 4.680 3.412 5.009 0.009 4 0 "[ . 1 . 2]" 1
127 1 153 LYS H 1 153 LYS HD2 0.000 . 5.000 4.680 3.796 5.013 0.013 13 0 "[ . 1 . 2]" 1
128 1 153 LYS H 1 153 LYS QG 0.000 . 5.000 3.141 2.378 4.232 . 0 0 "[ . 1 . 2]" 1
129 1 154 PHE H 1 154 PHE QD 0.000 . 5.000 2.667 1.873 3.222 . 0 0 "[ . 1 . 2]" 1
130 1 156 PHE H 1 156 PHE QD 0.000 . 5.000 2.895 1.873 3.285 . 0 0 "[ . 1 . 2]" 1
131 1 159 MET H 1 159 MET HG3 0.000 . 5.000 3.719 2.272 4.924 . 0 0 "[ . 1 . 2]" 1
132 1 159 MET H 1 159 MET HG2 0.000 . 5.000 3.632 1.919 5.000 . 0 0 "[ . 1 . 2]" 1
133 1 160 ALA H 1 160 ALA MB 0.000 . 2.700 2.374 2.031 2.701 0.001 4 0 "[ . 1 . 2]" 1
134 2 1 NAG H1 2 1 NAG HN2 0.000 . 3.500 2.599 2.482 2.921 . 0 0 "[ . 1 . 2]" 1
135 2 1 NAG H2 2 1 NAG HN2 0.000 . 3.500 2.967 2.927 2.979 . 0 0 "[ . 1 . 2]" 1
136 2 1 NAG H3 2 1 NAG HN2 0.000 . 2.700 2.675 2.492 2.861 0.161 6 0 "[ . 1 . 2]" 1
137 2 1 NAG H4 2 1 NAG HN2 0.000 . 5.000 4.715 4.556 4.793 . 0 0 "[ . 1 . 2]" 1
138 1 2 GLY H 1 3 HIS H 0.000 . 5.000 3.740 2.041 4.632 . 0 0 "[ . 1 . 2]" 1
139 1 3 HIS H 1 4 CYS H 0.000 . 5.000 4.443 3.854 4.652 . 0 0 "[ . 1 . 2]" 1
140 1 4 CYS H 1 5 VAL H 0.000 . 5.000 4.076 3.286 4.498 . 0 0 "[ . 1 . 2]" 1
141 1 5 VAL H 1 6 THR H 0.000 . 5.000 4.406 4.129 4.605 . 0 0 "[ . 1 . 2]" 1
142 1 7 ASP H 1 8 SER H 0.000 . 5.000 2.858 2.632 4.139 . 0 0 "[ . 1 . 2]" 1
143 1 8 SER H 1 9 GLY H 0.000 . 3.500 2.567 1.868 3.437 . 0 0 "[ . 1 . 2]" 1
144 1 10 VAL H 1 11 VAL H 0.000 . 5.000 4.248 3.742 4.548 . 0 0 "[ . 1 . 2]" 1
145 1 9 GLY H 1 10 VAL H 0.000 . 3.500 2.039 1.862 2.404 . 0 0 "[ . 1 . 2]" 1
146 1 14 VAL H 1 15 GLY H 0.000 . 5.000 4.595 4.441 4.651 . 0 0 "[ . 1 . 2]" 1
147 1 15 GLY H 1 16 MET H 0.000 . 5.000 2.924 2.788 3.005 . 0 0 "[ . 1 . 2]" 1
148 1 16 MET H 1 17 GLN H 0.000 . 5.000 4.253 4.157 4.376 . 0 0 "[ . 1 . 2]" 1
149 1 17 GLN H 1 18 TRP H 0.000 . 5.000 4.562 4.462 4.598 . 0 0 "[ . 1 . 2]" 1
150 1 18 TRP H 1 19 LEU H 0.000 . 5.000 4.066 3.767 4.359 . 0 0 "[ . 1 . 2]" 1
151 1 19 LEU H 1 20 LYS H 0.000 . 5.000 4.597 4.417 4.644 . 0 0 "[ . 1 . 2]" 1
152 1 22 GLN H 1 23 GLY H 0.000 . 5.000 3.442 2.846 4.548 . 0 0 "[ . 1 . 2]" 1
153 1 23 GLY H 1 24 ASN H 0.000 . 5.000 3.824 3.307 4.528 . 0 0 "[ . 1 . 2]" 1
154 1 24 ASN H 1 25 LYS H 0.000 . 2.700 2.274 1.924 2.741 0.041 13 0 "[ . 1 . 2]" 1
155 1 25 LYS H 1 26 GLN H 0.000 . 5.000 4.355 4.271 4.408 . 0 0 "[ . 1 . 2]" 1
156 1 26 GLN H 1 27 MET H 0.000 . 5.000 4.456 4.238 4.591 . 0 0 "[ . 1 . 2]" 1
157 1 29 CYS H 1 30 THR H 0.000 . 5.000 4.379 4.052 4.548 . 0 0 "[ . 1 . 2]" 1
158 1 32 LEU H 1 33 GLY H 0.000 . 5.000 3.535 1.939 4.463 . 0 0 "[ . 1 . 2]" 1
159 1 33 GLY H 1 34 ASN H 0.000 . 5.000 3.508 2.632 4.264 . 0 0 "[ . 1 . 2]" 1
160 1 34 ASN H 1 35 GLY H 0.000 . 3.500 2.356 1.869 2.852 . 0 0 "[ . 1 . 2]" 1
161 1 35 GLY H 1 36 VAL H 0.000 . 5.000 3.872 1.871 4.428 . 0 0 "[ . 1 . 2]" 1
162 1 37 SER H 1 38 CYS H 0.000 . 5.000 4.283 3.701 4.561 . 0 0 "[ . 1 . 2]" 1
163 1 38 CYS H 1 39 GLN H 0.000 . 5.000 4.516 4.382 4.609 . 0 0 "[ . 1 . 2]" 1
164 1 39 GLN H 1 40 GLU H 0.000 . 5.000 4.126 3.870 4.391 . 0 0 "[ . 1 . 2]" 1
165 1 40 GLU H 1 41 THR H 0.000 . 5.000 4.386 3.041 4.646 . 0 0 "[ . 1 . 2]" 1
166 1 42 ALA H 1 43 VAL H 0.000 . 5.000 4.330 3.096 4.636 . 0 0 "[ . 1 . 2]" 1
167 1 44 THR H 1 45 GLN H 0.000 . 5.000 4.499 4.064 4.649 . 0 0 "[ . 1 . 2]" 1
168 1 45 GLN H 1 46 THR H 0.000 . 5.000 3.884 2.923 4.650 . 0 0 "[ . 1 . 2]" 1
169 1 48 GLY H 1 49 GLY H 0.000 . 5.000 4.621 4.563 4.651 . 0 0 "[ . 1 . 2]" 1
170 1 49 GLY H 1 50 ASN H 0.000 . 5.000 4.569 4.482 4.630 . 0 0 "[ . 1 . 2]" 1
171 1 50 ASN H 1 51 SER H 0.000 . 3.500 2.752 2.545 2.975 . 0 0 "[ . 1 . 2]" 1
172 1 51 SER H 1 52 ASN H 0.000 . 3.500 1.966 1.862 2.898 . 0 0 "[ . 1 . 2]" 1
173 1 52 ASN H 1 53 GLY H 0.000 . 3.500 2.996 2.604 3.572 0.072 19 0 "[ . 1 . 2]" 1
174 1 53 GLY H 1 54 GLU H 0.000 . 5.000 2.376 1.872 3.212 . 0 0 "[ . 1 . 2]" 1
175 1 56 CYS H 1 57 VAL H 0.000 . 5.000 4.469 4.373 4.558 . 0 0 "[ . 1 . 2]" 1
176 1 57 VAL H 1 58 LEU H 0.000 . 5.000 3.096 2.668 3.690 . 0 0 "[ . 1 . 2]" 1
177 1 61 THR H 1 62 TYR H 0.000 . 5.000 4.592 4.546 4.625 . 0 0 "[ . 1 . 2]" 1
178 1 63 ASN H 1 64 GLY H 0.000 . 5.000 2.830 2.628 4.048 . 0 0 "[ . 1 . 2]" 1
179 1 64 GLY H 1 65 ARG H 0.000 . 3.500 1.950 1.859 2.198 . 0 0 "[ . 1 . 2]" 1
180 1 65 ARG H 1 66 THR H 0.000 . 5.000 4.469 4.385 4.522 . 0 0 "[ . 1 . 2]" 1
181 1 68 TYR H 1 69 SER H 0.000 . 3.500 2.360 1.877 2.768 . 0 0 "[ . 1 . 2]" 1
182 1 70 CYS H 1 71 THR H 0.000 . 5.000 4.627 4.516 4.650 . 0 0 "[ . 1 . 2]" 1
183 1 72 THR H 1 73 GLU H 0.000 . 3.500 2.418 1.970 2.999 . 0 0 "[ . 1 . 2]" 1
184 1 73 GLU H 1 74 GLY H 0.000 . 5.000 4.179 3.643 4.567 . 0 0 "[ . 1 . 2]" 1
185 1 74 GLY H 1 75 ARG H 0.000 . 3.500 2.711 1.874 3.300 . 0 0 "[ . 1 . 2]" 1
186 1 75 ARG H 1 76 GLN H 0.000 . 5.000 4.525 4.225 4.621 . 0 0 "[ . 1 . 2]" 1
187 1 76 GLN H 1 77 ASP H 0.000 . 2.700 2.528 2.009 2.733 0.033 17 0 "[ . 1 . 2]" 1
188 1 77 ASP H 1 78 GLY H 0.000 . 3.500 2.192 1.753 2.905 . 0 0 "[ . 1 . 2]" 1
189 1 78 GLY H 1 79 HIS H 0.000 . 3.500 3.196 2.199 3.529 0.029 3 0 "[ . 1 . 2]" 1
190 1 79 HIS H 1 80 LEU H 0.000 . 5.000 4.557 4.183 4.649 . 0 0 "[ . 1 . 2]" 1
191 1 80 LEU H 1 81 TRP H 0.000 . 5.000 4.525 4.418 4.607 . 0 0 "[ . 1 . 2]" 1
192 1 84 THR H 1 85 THR H 0.000 . 5.000 3.042 2.320 3.577 . 0 0 "[ . 1 . 2]" 1
193 1 86 SER H 1 87 ASN H 0.000 . 3.500 3.123 2.931 3.372 . 0 0 "[ . 1 . 2]" 1
194 1 87 ASN H 1 88 TYR H 0.000 . 5.000 3.842 3.495 4.243 . 0 0 "[ . 1 . 2]" 1
195 1 88 TYR H 1 89 GLU H 0.000 . 5.000 2.990 2.712 3.563 . 0 0 "[ . 1 . 2]" 1
196 1 89 GLU H 1 90 GLN H 0.000 . 3.500 2.715 2.355 2.875 . 0 0 "[ . 1 . 2]" 1
197 1 90 GLN H 1 91 ASP H 0.000 . 3.500 2.689 2.250 2.969 . 0 0 "[ . 1 . 2]" 1
198 1 91 ASP H 1 92 GLN H 0.000 . 5.000 2.505 1.953 2.874 . 0 0 "[ . 1 . 2]" 1
199 1 92 GLN H 1 93 LYS H 0.000 . 5.000 2.615 2.327 3.112 . 0 0 "[ . 1 . 2]" 1
200 1 97 CYS H 1 98 THR H 0.000 . 5.000 4.481 4.382 4.621 . 0 0 "[ . 1 . 2]" 1
201 1 98 THR H 1 99 ASP H 0.000 . 5.000 4.420 4.328 4.482 . 0 0 "[ . 1 . 2]" 1
202 1 99 ASP H 1 100 HIS H 0.000 . 5.000 3.510 2.967 4.088 . 0 0 "[ . 1 . 2]" 1
203 1 100 HIS H 1 101 THR H 0.000 . 3.500 3.105 2.324 3.563 0.063 20 0 "[ . 1 . 2]" 1
204 1 101 THR H 1 102 VAL H 0.000 . 5.000 4.251 3.552 4.640 . 0 0 "[ . 1 . 2]" 1
205 1 103 LEU H 1 104 VAL H 0.000 . 5.000 4.082 3.656 4.505 . 0 0 "[ . 1 . 2]" 1
206 1 104 VAL H 1 105 GLN H 0.000 . 5.000 4.484 4.336 4.570 . 0 0 "[ . 1 . 2]" 1
207 1 105 GLN H 1 106 THR H 0.000 . 5.000 3.961 3.733 4.267 . 0 0 "[ . 1 . 2]" 1
208 1 106 THR H 1 107 ARG H 0.000 . 5.000 4.560 4.426 4.618 . 0 0 "[ . 1 . 2]" 1
209 1 110 ASN H 1 111 SER H 0.000 . 5.000 2.056 1.862 2.671 . 0 0 "[ . 1 . 2]" 1
210 1 111 SER H 1 112 ASN H 0.000 . 5.000 2.331 1.862 3.600 . 0 0 "[ . 1 . 2]" 1
211 1 112 ASN H 1 113 GLY H 0.000 . 5.000 3.508 2.906 4.167 . 0 0 "[ . 1 . 2]" 1
212 1 113 GLY H 1 114 ALA H 0.000 . 5.000 3.036 2.641 3.334 . 0 0 "[ . 1 . 2]" 1
213 1 117 HIS H 1 118 PHE H 0.000 . 5.000 4.270 3.629 4.531 . 0 0 "[ . 1 . 2]" 1
214 1 124 ASN H 1 125 HIS H 0.000 . 5.000 2.590 1.758 2.773 . 0 0 "[ . 1 . 2]" 1
215 1 125 HIS H 1 126 ASN H 0.000 . 5.000 3.883 3.428 4.393 . 0 0 "[ . 1 . 2]" 1
216 1 126 ASN H 1 127 TYR H 0.000 . 5.000 4.420 4.088 4.642 . 0 0 "[ . 1 . 2]" 1
217 1 128 THR H 1 129 ASP H 0.000 . 3.500 2.622 1.873 3.281 . 0 0 "[ . 1 . 2]" 1
218 1 130 CYS H 1 131 THR H 0.000 . 5.000 4.080 3.447 4.133 . 0 0 "[ . 1 . 2]" 1
219 1 134 GLY H 1 135 ARG H 0.000 . 3.500 2.547 1.873 3.330 . 0 0 "[ . 1 . 2]" 1
220 1 135 ARG H 1 136 ARG H 0.000 . 5.000 3.644 1.935 4.576 . 0 0 "[ . 1 . 2]" 1
221 1 136 ARG H 1 137 ASP H 0.000 . 3.500 2.419 1.873 3.131 . 0 0 "[ . 1 . 2]" 1
222 1 137 ASP H 1 138 ASN H 0.000 . 5.000 3.739 2.262 4.534 . 0 0 "[ . 1 . 2]" 1
223 1 138 ASN H 1 139 MET H 0.000 . 5.000 3.665 2.627 4.263 . 0 0 "[ . 1 . 2]" 1
224 1 139 MET H 1 140 LYS H 0.000 . 5.000 3.112 2.360 4.345 . 0 0 "[ . 1 . 2]" 1
225 1 144 THR H 1 145 THR H 0.000 . 5.000 2.622 2.494 2.790 . 0 0 "[ . 1 . 2]" 1
226 1 146 GLN H 1 147 ASN H 0.000 . 5.000 2.769 2.351 3.176 . 0 0 "[ . 1 . 2]" 1
227 1 147 ASN H 1 148 TYR H 0.000 . 5.000 3.647 3.213 4.129 . 0 0 "[ . 1 . 2]" 1
228 1 148 TYR H 1 149 ASP H 0.000 . 5.000 3.001 2.684 3.267 . 0 0 "[ . 1 . 2]" 1
229 1 149 ASP H 1 150 ALA H 0.000 . 5.000 2.665 2.564 2.825 . 0 0 "[ . 1 . 2]" 1
230 1 150 ALA H 1 151 ASP H 0.000 . 3.500 2.328 2.158 2.545 . 0 0 "[ . 1 . 2]" 1
231 1 151 ASP H 1 152 GLN H 0.000 . 5.000 2.000 1.865 2.376 . 0 0 "[ . 1 . 2]" 1
232 1 152 GLN H 1 153 LYS H 0.000 . 5.000 2.685 2.329 3.268 . 0 0 "[ . 1 . 2]" 1
233 1 159 MET H 1 160 ALA H 0.000 . 5.000 3.586 2.055 4.634 . 0 0 "[ . 1 . 2]" 1
234 1 1 TYR HA 1 2 GLY H 0.000 . 5.000 2.775 2.149 3.562 . 0 0 "[ . 1 . 2]" 1
235 1 1 TYR HB3 1 2 GLY H 0.000 . 5.000 3.252 1.876 4.459 . 0 0 "[ . 1 . 2]" 1
236 1 1 TYR HB2 1 2 GLY H 0.000 . 5.000 3.712 1.876 4.676 . 0 0 "[ . 1 . 2]" 1
237 1 2 GLY QA 1 3 HIS H 0.000 . 3.500 2.281 2.108 2.919 . 0 0 "[ . 1 . 2]" 1
238 1 3 HIS HA 1 4 CYS H 0.000 . 3.500 2.497 2.155 2.896 . 0 0 "[ . 1 . 2]" 1
239 1 3 HIS HB2 1 4 CYS H 0.000 . 5.000 2.988 1.873 4.484 . 0 0 "[ . 1 . 2]" 1
240 1 4 CYS HA 1 5 VAL H 0.000 . 2.700 2.205 2.139 2.345 . 0 0 "[ . 1 . 2]" 1
241 1 4 CYS HB3 1 5 VAL H 0.000 . 5.000 3.543 2.622 4.432 . 0 0 "[ . 1 . 2]" 1
242 1 4 CYS HB2 1 5 VAL H 0.000 . 5.000 4.112 3.477 4.606 . 0 0 "[ . 1 . 2]" 1
243 1 5 VAL HA 1 6 THR H 0.000 . 2.700 2.168 2.137 2.356 . 0 0 "[ . 1 . 2]" 1
244 1 5 VAL HB 1 6 THR H 0.000 . 5.000 3.901 2.564 4.469 . 0 0 "[ . 1 . 2]" 1
245 1 6 THR HA 1 7 ASP H 0.000 . 3.500 2.349 2.127 2.886 . 0 0 "[ . 1 . 2]" 1
246 1 6 THR MG 1 7 ASP H 0.000 . 5.000 3.587 2.214 4.370 . 0 0 "[ . 1 . 2]" 1
247 1 7 ASP HA 1 8 SER H 0.000 . 5.000 3.285 2.738 3.545 . 0 0 "[ . 1 . 2]" 1
248 1 7 ASP QB 1 8 SER H 0.000 . 5.000 3.376 1.875 3.973 . 0 0 "[ . 1 . 2]" 1
249 1 8 SER H 1 9 GLY HA3 0.000 . 5.000 4.937 4.032 5.334 0.334 6 0 "[ . 1 . 2]" 1
250 1 9 GLY H 1 10 VAL HA 0.000 . 5.000 4.666 4.221 5.003 0.003 10 0 "[ . 1 . 2]" 1
251 1 9 GLY H 1 10 VAL HB 0.000 . 5.000 4.591 4.063 5.045 0.045 8 0 "[ . 1 . 2]" 1
252 1 9 GLY H 1 10 VAL QG 0.000 . 5.000 3.378 2.169 4.173 . 0 0 "[ . 1 . 2]" 1
253 1 8 SER HA 1 9 GLY H 0.000 . 5.000 3.205 2.712 3.569 . 0 0 "[ . 1 . 2]" 1
254 1 9 GLY HA3 1 10 VAL H 0.000 . 5.000 3.165 2.858 3.577 . 0 0 "[ . 1 . 2]" 1
255 1 9 GLY HA2 1 10 VAL H 0.000 . 5.000 3.281 2.614 3.530 . 0 0 "[ . 1 . 2]" 1
256 1 10 VAL HA 1 11 VAL H 0.000 . 2.700 2.293 2.125 2.588 . 0 0 "[ . 1 . 2]" 1
257 1 10 VAL QG 1 11 VAL H 0.000 . 5.000 2.706 1.770 3.424 . 0 0 "[ . 1 . 2]" 1
258 1 11 VAL HA 1 12 TYR H 0.000 . 3.500 2.248 2.117 2.511 . 0 0 "[ . 1 . 2]" 1
259 1 11 VAL HB 1 12 TYR H 0.000 . 5.000 4.153 3.579 4.577 . 0 0 "[ . 1 . 2]" 1
260 1 11 VAL QG 1 12 TYR H 0.000 . 5.000 2.816 1.765 3.525 . 0 0 "[ . 1 . 2]" 1
261 1 12 TYR HA 1 13 SER H 0.000 . 3.500 2.199 2.142 2.778 . 0 0 "[ . 1 . 2]" 1
262 1 12 TYR HB3 1 13 SER H 0.000 . 5.000 3.402 1.869 3.921 . 0 0 "[ . 1 . 2]" 1
263 1 12 TYR HB2 1 13 SER H 0.000 . 5.000 4.217 2.893 4.495 . 0 0 "[ . 1 . 2]" 1
264 1 13 SER HA 1 14 VAL H 0.000 . 3.500 2.373 2.186 2.548 . 0 0 "[ . 1 . 2]" 1
265 1 13 SER HB3 1 14 VAL H 0.000 . 5.000 3.050 2.204 4.232 . 0 0 "[ . 1 . 2]" 1
266 1 14 VAL HA 1 15 GLY H 0.000 . 3.500 2.553 2.415 2.731 . 0 0 "[ . 1 . 2]" 1
267 1 14 VAL QG 1 15 GLY H 0.000 . 5.000 2.543 1.748 2.994 . 0 0 "[ . 1 . 2]" 1
268 1 15 GLY HA2 1 16 MET H 0.000 . 5.000 3.506 3.477 3.569 . 0 0 "[ . 1 . 2]" 1
269 1 16 MET HA 1 17 GLN H 0.000 . 5.000 2.157 2.134 2.347 . 0 0 "[ . 1 . 2]" 1
270 1 17 GLN H 1 18 TRP HE3 0.000 . 5.000 4.559 4.177 4.870 . 0 0 "[ . 1 . 2]" 1
271 1 17 GLN HA 1 18 TRP H 0.000 . 3.500 2.374 2.245 2.476 . 0 0 "[ . 1 . 2]" 1
272 1 17 GLN HB3 1 18 TRP H 0.000 . 5.000 2.729 2.491 3.414 . 0 0 "[ . 1 . 2]" 1
273 1 17 GLN HB2 1 18 TRP H 0.000 . 5.000 3.223 2.849 3.615 . 0 0 "[ . 1 . 2]" 1
274 1 17 GLN HG3 1 18 TRP H 0.000 . 5.000 4.919 4.770 5.016 0.016 8 0 "[ . 1 . 2]" 1
275 1 17 GLN HG2 1 18 TRP H 0.000 . 5.000 4.695 4.553 5.000 . 0 0 "[ . 1 . 2]" 1
276 1 18 TRP HA 1 19 LEU H 0.000 . 5.000 2.218 2.125 2.734 . 0 0 "[ . 1 . 2]" 1
277 1 18 TRP HB3 1 19 LEU H 0.000 . 5.000 4.245 3.516 4.512 . 0 0 "[ . 1 . 2]" 1
278 1 18 TRP HB2 1 19 LEU H 0.000 . 5.000 3.165 1.962 3.656 . 0 0 "[ . 1 . 2]" 1
279 1 18 TRP HD1 1 19 LEU H 0.000 . 5.000 3.829 2.397 4.311 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU H 1 20 LYS QG 0.000 . 5.000 4.900 4.454 5.029 0.029 8 0 "[ . 1 . 2]" 1
281 1 19 LEU HA 1 20 LYS H 0.000 . 2.700 2.277 2.137 2.456 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU QD 1 20 LYS H 0.000 . 5.000 2.616 1.777 3.539 . 0 0 "[ . 1 . 2]" 1
283 1 20 LYS HA 1 21 THR H 0.000 . 2.700 2.395 2.145 2.706 0.006 20 0 "[ . 1 . 2]" 1
284 1 20 LYS QB 1 21 THR H 0.000 . 5.000 2.662 1.861 3.569 . 0 0 "[ . 1 . 2]" 1
285 1 20 LYS QD 1 21 THR H 0.000 . 5.000 3.432 1.862 4.916 . 0 0 "[ . 1 . 2]" 1
286 1 20 LYS QG 1 21 THR H 0.000 . 5.000 4.156 3.344 4.785 . 0 0 "[ . 1 . 2]" 1
287 1 21 THR HA 1 22 GLN H 0.000 . 2.700 2.219 2.141 2.461 . 0 0 "[ . 1 . 2]" 1
288 1 21 THR HB 1 22 GLN H 0.000 . 5.000 4.069 2.946 4.520 . 0 0 "[ . 1 . 2]" 1
289 1 21 THR MG 1 22 GLN H 0.000 . 5.000 3.591 2.066 4.104 . 0 0 "[ . 1 . 2]" 1
290 1 22 GLN HA 1 23 GLY H 0.000 . 2.700 2.583 2.166 2.705 0.005 20 0 "[ . 1 . 2]" 1
291 1 22 GLN HB3 1 23 GLY H 0.000 . 5.000 4.313 3.938 4.648 . 0 0 "[ . 1 . 2]" 1
292 1 22 GLN HB2 1 23 GLY H 0.000 . 5.000 4.555 4.346 4.656 . 0 0 "[ . 1 . 2]" 1
293 1 22 GLN QG 1 23 GLY H 0.000 . 5.000 4.334 2.834 4.957 . 0 0 "[ . 1 . 2]" 1
294 1 23 GLY HA2 1 24 ASN H 0.000 . 2.700 2.328 2.116 2.705 0.005 19 0 "[ . 1 . 2]" 1
295 1 23 GLY HA3 1 24 ASN H 0.000 . 3.500 3.466 2.991 3.549 0.049 20 0 "[ . 1 . 2]" 1
296 1 24 ASN H 1 25 LYS QB 0.000 . 5.000 4.090 3.586 4.500 . 0 0 "[ . 1 . 2]" 1
297 1 24 ASN H 1 25 LYS HG3 0.000 . 5.000 3.691 2.344 4.999 . 0 0 "[ . 1 . 2]" 1
298 1 24 ASN H 1 25 LYS HG2 0.000 . 5.000 3.709 2.292 5.000 0.000 5 0 "[ . 1 . 2]" 1
299 1 24 ASN HA 1 25 LYS H 0.000 . 3.500 2.965 2.758 3.123 . 0 0 "[ . 1 . 2]" 1
300 1 24 ASN QB 1 25 LYS H 0.000 . 5.000 3.821 3.611 4.033 . 0 0 "[ . 1 . 2]" 1
301 1 25 LYS HA 1 26 GLN H 0.000 . 2.700 2.512 2.247 2.710 0.010 20 0 "[ . 1 . 2]" 1
302 1 25 LYS QD 1 26 GLN H 0.000 . 5.000 4.233 2.796 5.000 0.000 5 0 "[ . 1 . 2]" 1
303 1 25 LYS HG3 1 26 GLN H 0.000 . 5.000 4.362 2.318 5.001 0.001 5 0 "[ . 1 . 2]" 1
304 1 25 LYS HG2 1 26 GLN H 0.000 . 5.000 4.488 3.765 5.001 0.001 12 0 "[ . 1 . 2]" 1
305 1 26 GLN HA 1 27 MET H 0.000 . 3.500 2.178 2.140 2.309 . 0 0 "[ . 1 . 2]" 1
306 1 26 GLN QB 1 27 MET H 0.000 . 5.000 3.265 2.748 3.910 . 0 0 "[ . 1 . 2]" 1
307 1 26 GLN HG3 1 27 MET H 0.000 . 5.000 4.277 2.640 5.001 0.001 2 0 "[ . 1 . 2]" 1
308 1 26 GLN HG2 1 27 MET H 0.000 . 5.000 4.454 2.928 5.001 0.001 17 0 "[ . 1 . 2]" 1
309 1 27 MET HA 1 28 LEU H 0.000 . 3.500 2.195 2.138 2.351 . 0 0 "[ . 1 . 2]" 1
310 1 27 MET HB3 1 28 LEU H 0.000 . 5.000 3.270 2.553 4.112 . 0 0 "[ . 1 . 2]" 1
311 1 27 MET HB2 1 28 LEU H 0.000 . 5.000 4.207 2.972 4.542 . 0 0 "[ . 1 . 2]" 1
312 1 27 MET HG3 1 28 LEU H 0.000 . 5.000 5.008 3.961 5.351 0.351 5 0 "[ . 1 . 2]" 1
313 1 28 LEU HA 1 29 CYS H 0.000 . 3.500 2.191 2.141 2.345 . 0 0 "[ . 1 . 2]" 1
314 1 28 LEU HG 1 29 CYS H 0.000 . 5.000 3.811 2.413 5.006 0.006 15 0 "[ . 1 . 2]" 1
315 1 29 CYS HA 1 30 THR H 0.000 . 3.500 2.227 2.137 2.539 . 0 0 "[ . 1 . 2]" 1
316 1 29 CYS HB3 1 30 THR H 0.000 . 5.000 3.197 2.472 3.803 . 0 0 "[ . 1 . 2]" 1
317 1 29 CYS HB2 1 30 THR H 0.000 . 5.000 4.203 3.847 4.560 . 0 0 "[ . 1 . 2]" 1
318 1 30 THR HA 1 31 CYS H 0.000 . 5.000 2.204 2.143 2.415 . 0 0 "[ . 1 . 2]" 1
319 1 30 THR MG 1 31 CYS H 0.000 . 5.000 2.093 1.830 2.801 . 0 0 "[ . 1 . 2]" 1
320 1 31 CYS HA 1 32 LEU H 0.000 . 3.500 2.172 2.140 2.228 . 0 0 "[ . 1 . 2]" 1
321 1 31 CYS HB2 1 32 LEU H 0.000 . 5.000 4.244 3.972 4.502 . 0 0 "[ . 1 . 2]" 1
322 1 32 LEU HA 1 33 GLY H 0.000 . 5.000 2.579 2.142 3.111 . 0 0 "[ . 1 . 2]" 1
323 1 32 LEU HB2 1 33 GLY H 0.000 . 5.000 3.915 3.003 4.512 . 0 0 "[ . 1 . 2]" 1
324 1 32 LEU HB3 1 33 GLY H 0.000 . 5.000 3.380 1.892 4.462 . 0 0 "[ . 1 . 2]" 1
325 1 32 LEU HG 1 33 GLY H 0.000 . 5.000 4.663 4.341 4.969 . 0 0 "[ . 1 . 2]" 1
326 1 33 GLY HA3 1 34 ASN H 0.000 . 5.000 3.427 2.943 3.570 . 0 0 "[ . 1 . 2]" 1
327 1 33 GLY HA2 1 34 ASN H 0.000 . 5.000 2.697 2.192 3.497 . 0 0 "[ . 1 . 2]" 1
328 1 34 ASN HA 1 35 GLY H 0.000 . 3.500 3.196 2.672 3.519 0.019 16 0 "[ . 1 . 2]" 1
329 1 34 ASN HB3 1 35 GLY H 0.000 . 5.000 3.825 2.779 4.295 . 0 0 "[ . 1 . 2]" 1
330 1 34 ASN HB2 1 35 GLY H 0.000 . 5.000 3.861 2.707 4.625 . 0 0 "[ . 1 . 2]" 1
331 1 35 GLY HA3 1 36 VAL H 0.000 . 3.500 2.342 2.137 2.851 . 0 0 "[ . 1 . 2]" 1
332 1 35 GLY HA2 1 36 VAL H 0.000 . 3.500 3.053 2.521 3.525 0.025 16 0 "[ . 1 . 2]" 1
333 1 36 VAL HA 1 37 SER H 0.000 . 2.700 2.200 2.142 2.350 . 0 0 "[ . 1 . 2]" 1
334 1 36 VAL QG 1 37 SER H 0.000 . 3.500 2.902 2.058 3.378 . 0 0 "[ . 1 . 2]" 1
335 1 37 SER HA 1 38 CYS H 0.000 . 2.700 2.197 2.139 2.352 . 0 0 "[ . 1 . 2]" 1
336 1 37 SER HB3 1 38 CYS H 0.000 . 5.000 4.028 2.883 4.575 . 0 0 "[ . 1 . 2]" 1
337 1 37 SER HB2 1 38 CYS H 0.000 . 5.000 4.127 3.368 4.638 . 0 0 "[ . 1 . 2]" 1
338 1 38 CYS HA 1 39 GLN H 0.000 . 3.500 2.247 2.139 2.475 . 0 0 "[ . 1 . 2]" 1
339 1 38 CYS HB3 1 39 GLN H 0.000 . 5.000 3.076 2.373 3.516 . 0 0 "[ . 1 . 2]" 1
340 1 38 CYS HB2 1 39 GLN H 0.000 . 5.000 4.128 3.205 4.468 . 0 0 "[ . 1 . 2]" 1
341 1 39 GLN HA 1 40 GLU H 0.000 . 2.700 2.191 2.139 2.657 . 0 0 "[ . 1 . 2]" 1
342 1 39 GLN HG3 1 40 GLU H 0.000 . 5.000 4.034 2.338 4.965 . 0 0 "[ . 1 . 2]" 1
343 1 39 GLN HG2 1 40 GLU H 0.000 . 5.000 3.756 2.880 4.900 . 0 0 "[ . 1 . 2]" 1
344 1 40 GLU HA 1 41 THR H 0.000 . 2.700 2.478 2.140 2.715 0.015 7 0 "[ . 1 . 2]" 1
345 1 40 GLU HB3 1 41 THR H 0.000 . 5.000 2.952 1.878 4.643 . 0 0 "[ . 1 . 2]" 1
346 1 40 GLU HB2 1 41 THR H 0.000 . 5.000 3.741 2.609 4.557 . 0 0 "[ . 1 . 2]" 1
347 1 40 GLU QG 1 41 THR H 0.000 . 5.000 3.574 2.497 4.572 . 0 0 "[ . 1 . 2]" 1
348 1 41 THR HA 1 42 ALA H 0.000 . 3.500 3.162 2.478 3.533 0.033 2 0 "[ . 1 . 2]" 1
349 1 41 THR HB 1 42 ALA H 0.000 . 5.000 3.871 2.869 4.631 . 0 0 "[ . 1 . 2]" 1
350 1 41 THR MG 1 42 ALA H 0.000 . 5.000 3.599 1.858 4.404 . 0 0 "[ . 1 . 2]" 1
351 1 42 ALA HA 1 43 VAL H 0.000 . 2.700 2.479 2.151 2.752 0.052 8 0 "[ . 1 . 2]" 1
352 1 42 ALA MB 1 43 VAL H 0.000 . 3.500 2.652 1.853 3.651 0.151 8 0 "[ . 1 . 2]" 1
353 1 43 VAL HA 1 44 THR H 0.000 . 2.700 2.399 2.150 2.700 . 0 0 "[ . 1 . 2]" 1
354 1 43 VAL HB 1 44 THR H 0.000 . 5.000 3.663 2.038 4.630 . 0 0 "[ . 1 . 2]" 1
355 1 44 THR HA 1 45 GLN H 0.000 . 2.700 2.460 2.149 2.703 0.003 20 0 "[ . 1 . 2]" 1
356 1 44 THR HB 1 45 GLN H 0.000 . 5.000 3.265 2.162 4.497 . 0 0 "[ . 1 . 2]" 1
357 1 44 THR MG 1 45 GLN H 0.000 . 5.000 2.566 1.787 4.130 . 0 0 "[ . 1 . 2]" 1
358 1 45 GLN H 1 46 THR MG 0.000 . 5.000 4.805 4.143 5.001 0.001 5 0 "[ . 1 . 2]" 1
359 1 45 GLN HA 1 46 THR H 0.000 . 2.700 2.377 2.154 2.616 . 0 0 "[ . 1 . 2]" 1
360 1 45 GLN QB 1 46 THR H 0.000 . 5.000 3.699 2.223 4.041 . 0 0 "[ . 1 . 2]" 1
361 1 46 THR HA 1 47 TYR H 0.000 . 3.500 2.260 2.143 2.536 . 0 0 "[ . 1 . 2]" 1
362 1 46 THR HB 1 47 TYR H 0.000 . 5.000 3.028 2.156 3.831 . 0 0 "[ . 1 . 2]" 1
363 1 46 THR MG 1 47 TYR H 0.000 . 5.000 3.716 3.156 4.053 . 0 0 "[ . 1 . 2]" 1
364 1 47 TYR HA 1 48 GLY H 0.000 . 5.000 2.362 2.256 2.440 . 0 0 "[ . 1 . 2]" 1
365 1 47 TYR HB3 1 48 GLY H 0.000 . 5.000 3.859 3.557 4.082 . 0 0 "[ . 1 . 2]" 1
366 1 47 TYR HB2 1 48 GLY H 0.000 . 5.000 2.569 2.350 2.868 . 0 0 "[ . 1 . 2]" 1
367 1 47 TYR QD 1 48 GLY H 0.000 . 5.000 3.217 2.705 3.665 . 0 0 "[ . 1 . 2]" 1
368 1 48 GLY QA 1 49 GLY H 0.000 . 5.000 2.259 2.185 2.285 . 0 0 "[ . 1 . 2]" 1
369 1 49 GLY HA2 1 50 ASN H 0.000 . 5.000 2.402 2.295 2.560 . 0 0 "[ . 1 . 2]" 1
370 1 49 GLY HA3 1 50 ASN H 0.000 . 5.000 2.738 2.563 2.872 . 0 0 "[ . 1 . 2]" 1
371 1 50 ASN HA 1 51 SER H 0.000 . 5.000 3.051 2.890 3.316 . 0 0 "[ . 1 . 2]" 1
372 1 51 SER H 1 52 ASN HA 0.000 . 5.000 4.116 3.996 4.298 . 0 0 "[ . 1 . 2]" 1
373 1 51 SER H 1 52 ASN HB3 0.000 . 5.000 5.013 5.000 5.040 0.040 18 0 "[ . 1 . 2]" 1
374 1 51 SER H 1 52 ASN HB2 0.000 . 5.000 4.917 4.473 5.008 0.008 13 0 "[ . 1 . 2]" 1
375 1 51 SER HA 1 52 ASN H 0.000 . 3.500 3.211 2.597 3.497 . 0 0 "[ . 1 . 2]" 1
376 1 51 SER QB 1 52 ASN H 0.000 . 5.000 3.462 2.841 3.996 . 0 0 "[ . 1 . 2]" 1
377 1 52 ASN HA 1 53 GLY H 0.000 . 5.000 3.130 2.393 3.569 . 0 0 "[ . 1 . 2]" 1
378 1 53 GLY HA3 1 54 GLU H 0.000 . 5.000 2.764 2.458 3.480 . 0 0 "[ . 1 . 2]" 1
379 1 53 GLY HA2 1 54 GLU H 0.000 . 5.000 3.495 2.984 3.569 . 0 0 "[ . 1 . 2]" 1
380 1 54 GLU H 1 55 PRO QD 0.000 . 5.000 4.303 4.236 4.383 . 0 0 "[ . 1 . 2]" 1
381 1 55 PRO HA 1 56 CYS H 0.000 . 2.700 2.391 2.183 2.676 . 0 0 "[ . 1 . 2]" 1
382 1 55 PRO HB3 1 56 CYS H 0.000 . 5.000 3.325 2.754 4.033 . 0 0 "[ . 1 . 2]" 1
383 1 55 PRO HB2 1 56 CYS H 0.000 . 5.000 2.868 1.986 4.109 . 0 0 "[ . 1 . 2]" 1
384 1 56 CYS HA 1 57 VAL H 0.000 . 3.500 2.617 2.433 2.738 . 0 0 "[ . 1 . 2]" 1
385 1 56 CYS HB3 1 57 VAL H 0.000 . 5.000 2.235 1.872 2.947 . 0 0 "[ . 1 . 2]" 1
386 1 56 CYS HB2 1 57 VAL H 0.000 . 5.000 3.002 2.362 3.791 . 0 0 "[ . 1 . 2]" 1
387 1 57 VAL H 1 58 LEU QD 0.000 . 5.000 3.291 2.451 4.011 . 0 0 "[ . 1 . 2]" 1
388 1 57 VAL HA 1 58 LEU H 0.000 . 2.700 2.455 2.203 2.659 . 0 0 "[ . 1 . 2]" 1
389 1 57 VAL QG 1 58 LEU H 0.000 . 5.000 3.562 3.232 3.728 . 0 0 "[ . 1 . 2]" 1
390 1 59 PRO HA 1 60 PHE H 0.000 . 3.500 2.234 2.150 2.405 . 0 0 "[ . 1 . 2]" 1
391 1 59 PRO HB2 1 60 PHE H 0.000 . 5.000 3.529 2.898 3.847 . 0 0 "[ . 1 . 2]" 1
392 1 59 PRO HG3 1 60 PHE H 0.000 . 5.000 4.992 4.879 5.034 0.034 15 0 "[ . 1 . 2]" 1
393 1 60 PHE HA 1 61 THR H 0.000 . 2.700 2.150 2.133 2.188 . 0 0 "[ . 1 . 2]" 1
394 1 60 PHE HB3 1 61 THR H 0.000 . 5.000 4.426 4.203 4.530 . 0 0 "[ . 1 . 2]" 1
395 1 60 PHE HB2 1 61 THR H 0.000 . 5.000 3.504 3.096 3.815 . 0 0 "[ . 1 . 2]" 1
396 1 61 THR HA 1 62 TYR H 0.000 . 2.700 2.288 2.239 2.352 . 0 0 "[ . 1 . 2]" 1
397 1 61 THR HB 1 62 TYR H 0.000 . 5.000 2.826 2.530 3.798 . 0 0 "[ . 1 . 2]" 1
398 1 61 THR MG 1 62 TYR H 0.000 . 3.500 3.334 1.846 3.509 0.009 7 0 "[ . 1 . 2]" 1
399 1 62 TYR QE 1 63 ASN HD21 0.000 . 5.000 3.008 1.873 5.051 0.051 6 0 "[ . 1 . 2]" 1
400 1 62 TYR QE 1 63 ASN HD22 0.000 . 5.000 4.144 1.874 5.003 0.003 12 0 "[ . 1 . 2]" 1
401 1 62 TYR HA 1 63 ASN H 0.000 . 3.500 2.159 2.139 2.353 . 0 0 "[ . 1 . 2]" 1
402 1 62 TYR HB3 1 63 ASN H 0.000 . 5.000 4.292 3.898 4.425 . 0 0 "[ . 1 . 2]" 1
403 1 62 TYR HB2 1 63 ASN H 0.000 . 5.000 3.992 3.666 4.123 . 0 0 "[ . 1 . 2]" 1
404 1 62 TYR QD 1 63 ASN H 0.000 . 5.000 3.367 2.421 3.660 . 0 0 "[ . 1 . 2]" 1
405 1 62 TYR QE 1 63 ASN H 0.000 . 5.000 4.428 3.461 4.679 . 0 0 "[ . 1 . 2]" 1
406 1 63 ASN HA 1 64 GLY H 0.000 . 3.500 3.365 3.218 3.526 0.026 15 0 "[ . 1 . 2]" 1
407 1 63 ASN HB3 1 64 GLY H 0.000 . 5.000 3.860 1.897 4.297 . 0 0 "[ . 1 . 2]" 1
408 1 63 ASN HB2 1 64 GLY H 0.000 . 5.000 4.176 2.645 4.495 . 0 0 "[ . 1 . 2]" 1
409 1 64 GLY H 1 65 ARG QG 0.000 . 5.000 4.804 4.609 4.877 . 0 0 "[ . 1 . 2]" 1
410 1 64 GLY HA3 1 65 ARG H 0.000 . 5.000 3.274 3.116 3.354 . 0 0 "[ . 1 . 2]" 1
411 1 64 GLY HA2 1 65 ARG H 0.000 . 5.000 3.271 3.174 3.426 . 0 0 "[ . 1 . 2]" 1
412 1 65 ARG HA 1 66 THR H 0.000 . 2.700 2.367 2.193 2.702 0.002 19 0 "[ . 1 . 2]" 1
413 1 65 ARG QB 1 66 THR H 0.000 . 5.000 3.105 2.469 3.456 . 0 0 "[ . 1 . 2]" 1
414 1 65 ARG QD 1 66 THR H 0.000 . 5.000 3.053 1.829 4.900 . 0 0 "[ . 1 . 2]" 1
415 1 65 ARG QG 1 66 THR H 0.000 . 3.500 2.794 1.843 3.411 . 0 0 "[ . 1 . 2]" 1
416 1 66 THR HA 1 67 PHE H 0.000 . 2.700 2.179 2.140 2.225 . 0 0 "[ . 1 . 2]" 1
417 1 66 THR HB 1 67 PHE H 0.000 . 5.000 4.368 4.229 4.507 . 0 0 "[ . 1 . 2]" 1
418 1 66 THR MG 1 67 PHE H 0.000 . 5.000 3.105 2.684 3.402 . 0 0 "[ . 1 . 2]" 1
419 1 67 PHE HA 1 68 TYR H 0.000 . 2.700 2.209 2.140 2.356 . 0 0 "[ . 1 . 2]" 1
420 1 67 PHE HB2 1 68 TYR H 0.000 . 5.000 3.916 3.591 4.211 . 0 0 "[ . 1 . 2]" 1
421 1 67 PHE QD 1 68 TYR H 0.000 . 5.000 4.442 4.174 4.731 . 0 0 "[ . 1 . 2]" 1
422 1 68 TYR HA 1 69 SER H 0.000 . 5.000 3.154 2.889 3.534 . 0 0 "[ . 1 . 2]" 1
423 1 68 TYR HB2 1 69 SER H 0.000 . 5.000 3.736 2.731 4.162 . 0 0 "[ . 1 . 2]" 1
424 1 69 SER HA 1 70 CYS H 0.000 . 3.500 2.574 2.371 2.933 . 0 0 "[ . 1 . 2]" 1
425 1 69 SER HB3 1 70 CYS H 0.000 . 3.500 2.857 1.876 3.944 0.444 19 0 "[ . 1 . 2]" 1
426 1 69 SER HB2 1 70 CYS H 0.000 . 5.000 2.940 1.884 4.033 . 0 0 "[ . 1 . 2]" 1
427 1 70 CYS HA 1 71 THR H 0.000 . 3.500 2.352 2.201 2.641 . 0 0 "[ . 1 . 2]" 1
428 1 70 CYS HB2 1 71 THR H 0.000 . 5.000 3.753 2.833 4.248 . 0 0 "[ . 1 . 2]" 1
429 1 70 CYS HB3 1 71 THR H 0.000 . 5.000 2.723 2.210 3.561 . 0 0 "[ . 1 . 2]" 1
430 1 71 THR HA 1 72 THR H 0.000 . 2.700 2.320 2.174 2.701 0.001 8 0 "[ . 1 . 2]" 1
431 1 71 THR HB 1 72 THR H 0.000 . 5.000 3.970 3.511 4.262 . 0 0 "[ . 1 . 2]" 1
432 1 71 THR MG 1 72 THR H 0.000 . 5.000 3.411 2.601 3.760 . 0 0 "[ . 1 . 2]" 1
433 1 72 THR H 1 73 GLU HA 0.000 . 5.000 4.660 4.218 4.885 . 0 0 "[ . 1 . 2]" 1
434 1 72 THR H 1 73 GLU QB 0.000 . 5.000 4.089 3.612 4.654 . 0 0 "[ . 1 . 2]" 1
435 1 72 THR H 1 73 GLU QG 0.000 . 5.000 4.916 4.374 5.006 0.006 19 0 "[ . 1 . 2]" 1
436 1 72 THR HA 1 73 GLU H 0.000 . 5.000 3.208 2.886 3.460 . 0 0 "[ . 1 . 2]" 1
437 1 72 THR MG 1 73 GLU H 0.000 . 5.000 4.252 3.775 4.428 . 0 0 "[ . 1 . 2]" 1
438 1 73 GLU HA 1 74 GLY H 0.000 . 2.700 2.256 2.146 2.539 . 0 0 "[ . 1 . 2]" 1
439 1 73 GLU QB 1 74 GLY H 0.000 . 5.000 3.754 3.302 3.974 . 0 0 "[ . 1 . 2]" 1
440 1 73 GLU QG 1 74 GLY H 0.000 . 5.000 4.303 3.201 4.901 . 0 0 "[ . 1 . 2]" 1
441 1 74 GLY HA3 1 75 ARG H 0.000 . 5.000 3.500 3.180 3.566 . 0 0 "[ . 1 . 2]" 1
442 1 74 GLY HA2 1 75 ARG H 0.000 . 5.000 2.891 2.657 3.346 . 0 0 "[ . 1 . 2]" 1
443 1 75 ARG HA 1 76 GLN H 0.000 . 2.700 2.263 2.133 2.678 . 0 0 "[ . 1 . 2]" 1
444 1 75 ARG HB3 1 76 GLN H 0.000 . 5.000 3.072 1.875 4.077 . 0 0 "[ . 1 . 2]" 1
445 1 75 ARG HG2 1 76 GLN H 0.000 . 5.000 4.750 3.882 5.163 0.163 10 0 "[ . 1 . 2]" 1
446 1 76 GLN HG3 1 77 ASP H 0.000 . 5.000 5.046 3.573 5.927 0.927 10 5 "[ - . + * * *2]" 1
447 1 77 ASP H 1 78 GLY HA2 0.000 . 5.000 4.707 3.824 5.081 0.081 1 0 "[ . 1 . 2]" 1
448 1 77 ASP HA 1 78 GLY H 0.000 . 3.500 3.179 2.331 3.519 0.019 11 0 "[ . 1 . 2]" 1
449 1 77 ASP HB3 1 78 GLY H 0.000 . 5.000 4.412 3.463 4.664 . 0 0 "[ . 1 . 2]" 1
450 1 77 ASP HB2 1 78 GLY H 0.000 . 5.000 3.827 2.074 4.621 . 0 0 "[ . 1 . 2]" 1
451 1 78 GLY HA3 1 79 HIS H 0.000 . 5.000 3.402 2.124 3.569 . 0 0 "[ . 1 . 2]" 1
452 1 78 GLY HA2 1 79 HIS H 0.000 . 5.000 2.745 2.153 3.480 . 0 0 "[ . 1 . 2]" 1
453 1 79 HIS HA 1 80 LEU H 0.000 . 2.700 2.361 2.140 2.593 . 0 0 "[ . 1 . 2]" 1
454 1 79 HIS HB3 1 80 LEU H 0.000 . 5.000 2.867 2.102 4.153 . 0 0 "[ . 1 . 2]" 1
455 1 79 HIS HB2 1 80 LEU H 0.000 . 5.000 3.578 2.461 4.477 . 0 0 "[ . 1 . 2]" 1
456 1 80 LEU HA 1 81 TRP H 0.000 . 3.500 2.393 2.094 2.624 . 0 0 "[ . 1 . 2]" 1
457 1 80 LEU HB2 1 81 TRP H 0.000 . 5.000 3.604 3.054 4.254 . 0 0 "[ . 1 . 2]" 1
458 1 80 LEU HB3 1 81 TRP H 0.000 . 5.000 2.528 1.960 3.513 . 0 0 "[ . 1 . 2]" 1
459 1 80 LEU QD 1 81 TRP H 0.000 . 5.000 3.804 2.994 4.365 . 0 0 "[ . 1 . 2]" 1
460 1 80 LEU HG 1 81 TRP H 0.000 . 5.000 4.276 3.844 4.721 . 0 0 "[ . 1 . 2]" 1
461 1 81 TRP HA 1 82 CYS H 0.000 . 3.500 2.354 2.157 2.579 . 0 0 "[ . 1 . 2]" 1
462 1 81 TRP HB3 1 82 CYS H 0.000 . 5.000 3.867 3.466 4.235 . 0 0 "[ . 1 . 2]" 1
463 1 81 TRP HB2 1 82 CYS H 0.000 . 5.000 2.613 2.073 3.281 . 0 0 "[ . 1 . 2]" 1
464 1 81 TRP HE3 1 82 CYS H 0.000 . 5.000 3.354 2.524 4.069 . 0 0 "[ . 1 . 2]" 1
465 1 82 CYS HA 1 83 SER H 0.000 . 5.000 2.255 2.139 2.600 . 0 0 "[ . 1 . 2]" 1
466 1 82 CYS HB3 1 83 SER H 0.000 . 5.000 4.049 3.713 4.304 . 0 0 "[ . 1 . 2]" 1
467 1 82 CYS HB2 1 83 SER H 0.000 . 5.000 3.193 2.272 3.964 . 0 0 "[ . 1 . 2]" 1
468 1 83 SER HA 1 84 THR H 0.000 . 3.500 2.177 2.138 2.304 . 0 0 "[ . 1 . 2]" 1
469 1 83 SER HB2 1 84 THR H 0.000 . 5.000 3.872 2.767 4.430 . 0 0 "[ . 1 . 2]" 1
470 1 84 THR H 1 85 THR HG1 0.000 . 5.000 4.128 3.047 4.810 . 0 0 "[ . 1 . 2]" 1
471 1 84 THR H 1 85 THR MG 0.000 . 5.000 4.552 4.162 5.001 0.001 8 0 "[ . 1 . 2]" 1
472 1 84 THR HA 1 85 THR H 0.000 . 5.000 2.817 2.594 3.123 . 0 0 "[ . 1 . 2]" 1
473 1 84 THR MG 1 85 THR H 0.000 . 5.000 4.379 4.335 4.426 . 0 0 "[ . 1 . 2]" 1
474 1 85 THR HA 1 86 SER H 0.000 . 2.700 2.155 2.139 2.184 . 0 0 "[ . 1 . 2]" 1
475 1 85 THR MG 1 86 SER H 0.000 . 5.000 3.607 3.405 3.697 . 0 0 "[ . 1 . 2]" 1
476 1 86 SER QB 1 87 ASN H 0.000 . 5.000 2.737 2.193 3.362 . 0 0 "[ . 1 . 2]" 1
477 1 87 ASN HA 1 88 TYR H 0.000 . 2.700 2.355 2.179 2.526 . 0 0 "[ . 1 . 2]" 1
478 1 87 ASN HB2 1 88 TYR H 0.000 . 5.000 4.433 4.205 4.667 . 0 0 "[ . 1 . 2]" 1
479 1 88 TYR HA 1 89 GLU H 0.000 . 5.000 3.545 3.427 3.571 . 0 0 "[ . 1 . 2]" 1
480 1 88 TYR HB3 1 89 GLU H 0.000 . 5.000 2.415 1.997 3.129 . 0 0 "[ . 1 . 2]" 1
481 1 88 TYR HB2 1 89 GLU H 0.000 . 5.000 3.802 3.402 4.212 . 0 0 "[ . 1 . 2]" 1
482 1 88 TYR QD 1 89 GLU H 0.000 . 5.000 2.994 2.280 3.851 . 0 0 "[ . 1 . 2]" 1
483 1 89 GLU H 1 90 GLN QB 0.000 . 5.000 4.432 3.958 4.638 . 0 0 "[ . 1 . 2]" 1
484 1 89 GLU HA 1 90 GLN H 0.000 . 5.000 3.434 3.308 3.540 . 0 0 "[ . 1 . 2]" 1
485 1 89 GLU HB2 1 90 GLN H 0.000 . 5.000 3.306 2.620 4.105 . 0 0 "[ . 1 . 2]" 1
486 1 89 GLU HG3 1 90 GLN H 0.000 . 5.000 4.073 2.482 5.005 0.005 12 0 "[ . 1 . 2]" 1
487 1 89 GLU HG2 1 90 GLN H 0.000 . 5.000 4.598 3.790 5.005 0.005 12 0 "[ . 1 . 2]" 1
488 1 90 GLN HA 1 91 ASP H 0.000 . 5.000 3.567 3.551 3.572 . 0 0 "[ . 1 . 2]" 1
489 1 90 GLN QB 1 91 ASP H 0.000 . 5.000 2.177 1.953 2.627 . 0 0 "[ . 1 . 2]" 1
490 1 90 GLN HG3 1 91 ASP H 0.000 . 5.000 4.213 2.773 5.011 0.011 5 0 "[ . 1 . 2]" 1
491 1 91 ASP H 1 92 GLN HA 0.000 . 5.000 4.676 4.202 4.996 . 0 0 "[ . 1 . 2]" 1
492 1 91 ASP HA 1 92 GLN H 0.000 . 5.000 3.469 3.121 3.570 . 0 0 "[ . 1 . 2]" 1
493 1 91 ASP HB3 1 92 GLN H 0.000 . 5.000 3.392 2.509 4.348 . 0 0 "[ . 1 . 2]" 1
494 1 91 ASP HB2 1 92 GLN H 0.000 . 5.000 3.063 2.257 4.079 . 0 0 "[ . 1 . 2]" 1
495 1 92 GLN HA 1 93 LYS H 0.000 . 5.000 2.992 2.591 3.371 . 0 0 "[ . 1 . 2]" 1
496 1 92 GLN HE21 1 93 LYS H 0.000 . 5.000 4.831 4.349 5.004 0.004 12 0 "[ . 1 . 2]" 1
497 1 93 LYS HA 1 94 TYR H 0.000 . 3.500 2.267 2.141 2.396 . 0 0 "[ . 1 . 2]" 1
498 1 93 LYS HD3 1 94 TYR H 0.000 . 5.000 4.724 4.189 5.000 0.000 4 0 "[ . 1 . 2]" 1
499 1 93 LYS HD2 1 94 TYR H 0.000 . 5.000 4.422 3.519 5.002 0.002 12 0 "[ . 1 . 2]" 1
500 1 93 LYS QG 1 94 TYR H 0.000 . 5.000 3.925 2.065 4.806 . 0 0 "[ . 1 . 2]" 1
501 1 94 TYR HA 1 95 SER H 0.000 . 5.000 2.569 2.382 2.702 . 0 0 "[ . 1 . 2]" 1
502 1 94 TYR HB2 1 95 SER H 0.000 . 5.000 2.124 1.875 2.544 . 0 0 "[ . 1 . 2]" 1
503 1 94 TYR HB3 1 95 SER H 0.000 . 5.000 3.599 3.439 3.908 . 0 0 "[ . 1 . 2]" 1
504 1 94 TYR QD 1 95 SER H 0.000 . 5.000 2.771 2.527 3.132 . 0 0 "[ . 1 . 2]" 1
505 1 95 SER HA 1 96 PHE H 0.000 . 3.500 2.190 2.165 2.218 . 0 0 "[ . 1 . 2]" 1
506 1 95 SER HB3 1 96 PHE H 0.000 . 5.000 3.200 2.988 4.332 . 0 0 "[ . 1 . 2]" 1
507 1 95 SER HB2 1 96 PHE H 0.000 . 5.000 4.082 3.546 4.401 . 0 0 "[ . 1 . 2]" 1
508 1 96 PHE HA 1 97 CYS H 0.000 . 3.500 2.161 2.135 2.255 . 0 0 "[ . 1 . 2]" 1
509 1 96 PHE HB3 1 97 CYS H 0.000 . 5.000 3.407 2.955 3.769 . 0 0 "[ . 1 . 2]" 1
510 1 96 PHE HB2 1 97 CYS H 0.000 . 5.000 3.932 3.574 4.192 . 0 0 "[ . 1 . 2]" 1
511 1 96 PHE QD 1 97 CYS H 0.000 . 5.000 4.435 4.387 4.625 . 0 0 "[ . 1 . 2]" 1
512 1 97 CYS HA 1 98 THR H 0.000 . 2.700 2.609 2.336 2.715 0.015 16 0 "[ . 1 . 2]" 1
513 1 97 CYS QB 1 98 THR H 0.000 . 5.000 2.227 2.015 2.690 . 0 0 "[ . 1 . 2]" 1
514 1 98 THR HA 1 99 ASP H 0.000 . 2.700 2.139 2.122 2.152 . 0 0 "[ . 1 . 2]" 1
515 1 98 THR HB 1 99 ASP H 0.000 . 3.500 3.498 3.317 3.540 0.040 19 0 "[ . 1 . 2]" 1
516 1 98 THR MG 1 99 ASP H 0.000 . 5.000 4.004 2.971 4.390 . 0 0 "[ . 1 . 2]" 1
517 1 99 ASP HA 1 100 HIS H 0.000 . 2.700 2.561 2.291 2.795 0.095 19 0 "[ . 1 . 2]" 1
518 1 99 ASP QB 1 100 HIS H 0.000 . 5.000 3.928 3.821 4.058 . 0 0 "[ . 1 . 2]" 1
519 1 100 HIS HA 1 101 THR H 0.000 . 2.700 2.609 2.251 2.757 0.057 19 0 "[ . 1 . 2]" 1
520 1 100 HIS HB3 1 101 THR H 0.000 . 5.000 4.422 4.252 4.654 . 0 0 "[ . 1 . 2]" 1
521 1 100 HIS HB2 1 101 THR H 0.000 . 5.000 4.518 4.311 4.658 . 0 0 "[ . 1 . 2]" 1
522 1 100 HIS HD2 1 101 THR H 0.000 . 5.000 4.379 3.286 5.013 0.013 20 0 "[ . 1 . 2]" 1
523 1 101 THR HA 1 102 VAL H 0.000 . 2.700 2.369 2.144 2.753 0.053 16 0 "[ . 1 . 2]" 1
524 1 101 THR MG 1 102 VAL H 0.000 . 5.000 3.305 2.157 4.102 . 0 0 "[ . 1 . 2]" 1
525 1 102 VAL HB 1 103 LEU H 0.000 . 5.000 4.006 2.551 4.649 . 0 0 "[ . 1 . 2]" 1
526 1 103 LEU HA 1 104 VAL H 0.000 . 3.500 2.168 2.115 2.230 . 0 0 "[ . 1 . 2]" 1
527 1 103 LEU HB3 1 104 VAL H 0.000 . 5.000 3.683 2.914 4.520 . 0 0 "[ . 1 . 2]" 1
528 1 103 LEU HB2 1 104 VAL H 0.000 . 5.000 3.899 3.011 4.475 . 0 0 "[ . 1 . 2]" 1
529 1 103 LEU QD 1 104 VAL H 0.000 . 5.000 4.229 3.169 4.583 . 0 0 "[ . 1 . 2]" 1
530 1 103 LEU HG 1 104 VAL H 0.000 . 5.000 4.823 4.018 5.063 0.063 1 0 "[ . 1 . 2]" 1
531 1 104 VAL HA 1 105 GLN H 0.000 . 2.700 2.215 2.148 2.340 . 0 0 "[ . 1 . 2]" 1
532 1 104 VAL QG 1 105 GLN H 0.000 . 5.000 2.559 2.145 3.075 . 0 0 "[ . 1 . 2]" 1
533 1 105 GLN HA 1 106 THR H 0.000 . 3.500 2.277 2.168 2.395 . 0 0 "[ . 1 . 2]" 1
534 1 105 GLN HB3 1 106 THR H 0.000 . 5.000 4.112 3.876 4.264 . 0 0 "[ . 1 . 2]" 1
535 1 105 GLN QG 1 106 THR H 0.000 . 5.000 4.288 3.754 4.605 . 0 0 "[ . 1 . 2]" 1
536 1 106 THR HA 1 107 ARG H 0.000 . 5.000 2.372 2.145 2.461 . 0 0 "[ . 1 . 2]" 1
537 1 106 THR HB 1 107 ARG H 0.000 . 5.000 2.556 2.204 3.397 . 0 0 "[ . 1 . 2]" 1
538 1 106 THR MG 1 107 ARG H 0.000 . 5.000 3.437 2.981 3.909 . 0 0 "[ . 1 . 2]" 1
539 1 107 ARG HA 1 108 GLY H 0.000 . 2.700 2.249 2.145 2.463 . 0 0 "[ . 1 . 2]" 1
540 1 107 ARG HB3 1 108 GLY H 0.000 . 5.000 3.879 2.793 4.349 . 0 0 "[ . 1 . 2]" 1
541 1 107 ARG HB2 1 108 GLY H 0.000 . 5.000 3.397 2.718 4.482 . 0 0 "[ . 1 . 2]" 1
542 1 107 ARG QG 1 108 GLY H 0.000 . 5.000 3.523 1.868 4.489 . 0 0 "[ . 1 . 2]" 1
543 1 108 GLY HA3 1 109 GLY H 0.000 . 5.000 2.654 2.159 3.539 . 0 0 "[ . 1 . 2]" 1
544 1 108 GLY HA2 1 109 GLY H 0.000 . 5.000 2.584 2.155 3.142 . 0 0 "[ . 1 . 2]" 1
545 1 109 GLY HA2 1 110 ASN H 0.000 . 5.000 2.541 2.188 3.181 . 0 0 "[ . 1 . 2]" 1
546 1 109 GLY HA3 1 110 ASN H 0.000 . 5.000 3.454 3.362 3.519 . 0 0 "[ . 1 . 2]" 1
547 1 110 ASN H 1 111 SER QB 0.000 . 5.000 3.894 3.235 4.776 . 0 0 "[ . 1 . 2]" 1
548 1 110 ASN HA 1 111 SER H 0.000 . 5.000 3.227 2.677 3.562 . 0 0 "[ . 1 . 2]" 1
549 1 111 SER H 1 112 ASN HA 0.000 . 5.000 4.377 4.063 4.993 . 0 0 "[ . 1 . 2]" 1
550 1 112 ASN HA 1 113 GLY H 0.000 . 5.000 2.349 2.219 2.522 . 0 0 "[ . 1 . 2]" 1
551 1 113 GLY QA 1 114 ALA H 0.000 . 5.000 2.517 2.396 2.753 . 0 0 "[ . 1 . 2]" 1
552 1 114 ALA HA 1 115 LEU H 0.000 . 5.000 2.178 2.128 2.283 . 0 0 "[ . 1 . 2]" 1
553 1 114 ALA MB 1 115 LEU H 0.000 . 5.000 2.972 2.640 3.294 . 0 0 "[ . 1 . 2]" 1
554 1 115 LEU HA 1 116 CYS H 0.000 . 3.500 2.293 2.261 2.333 . 0 0 "[ . 1 . 2]" 1
555 1 115 LEU HB3 1 116 CYS H 0.000 . 5.000 4.406 4.174 4.554 . 0 0 "[ . 1 . 2]" 1
556 1 115 LEU HB2 1 116 CYS H 0.000 . 5.000 4.594 4.516 4.664 . 0 0 "[ . 1 . 2]" 1
557 1 115 LEU HG 1 116 CYS H 0.000 . 5.000 4.303 3.725 5.021 0.021 12 0 "[ . 1 . 2]" 1
558 1 116 CYS HA 1 117 HIS H 0.000 . 3.500 2.233 2.141 2.419 . 0 0 "[ . 1 . 2]" 1
559 1 116 CYS HB2 1 117 HIS H 0.000 . 5.000 4.201 3.598 4.404 . 0 0 "[ . 1 . 2]" 1
560 1 116 CYS HB3 1 117 HIS H 0.000 . 5.000 3.477 2.828 4.022 . 0 0 "[ . 1 . 2]" 1
561 1 117 HIS HA 1 118 PHE H 0.000 . 2.700 2.166 2.130 2.285 . 0 0 "[ . 1 . 2]" 1
562 1 117 HIS HB2 1 118 PHE H 0.000 . 5.000 4.176 3.890 4.437 . 0 0 "[ . 1 . 2]" 1
563 1 119 PRO HA 1 120 PHE H 0.000 . 3.500 2.346 2.149 2.583 . 0 0 "[ . 1 . 2]" 1
564 1 119 PRO QB 1 120 PHE H 0.000 . 5.000 2.767 2.351 3.285 . 0 0 "[ . 1 . 2]" 1
565 1 119 PRO HG2 1 120 PHE H 0.000 . 5.000 4.982 4.233 5.632 0.632 15 1 "[ . 1 + 2]" 1
566 1 120 PHE HA 1 121 LEU H 0.000 . 5.000 2.333 2.158 2.685 . 0 0 "[ . 1 . 2]" 1
567 1 120 PHE HB3 1 121 LEU H 0.000 . 5.000 4.016 3.535 4.313 . 0 0 "[ . 1 . 2]" 1
568 1 120 PHE HB2 1 121 LEU H 0.000 . 5.000 2.787 2.013 3.354 . 0 0 "[ . 1 . 2]" 1
569 1 121 LEU HA 1 122 TYR H 0.000 . 3.500 2.166 2.106 2.351 . 0 0 "[ . 1 . 2]" 1
570 1 121 LEU QD 1 122 TYR H 0.000 . 5.000 1.960 1.710 2.970 . 0 0 "[ . 1 . 2]" 1
571 1 121 LEU HG 1 122 TYR H 0.000 . 5.000 3.948 2.017 4.876 . 0 0 "[ . 1 . 2]" 1
572 1 122 TYR QE 1 123 ASN HD21 0.000 . 5.000 3.195 2.145 4.833 . 0 0 "[ . 1 . 2]" 1
573 1 122 TYR QE 1 123 ASN HD22 0.000 . 5.000 4.093 2.800 4.998 . 0 0 "[ . 1 . 2]" 1
574 1 123 ASN HA 1 124 ASN H 0.000 . 3.500 2.752 2.539 3.528 0.028 18 0 "[ . 1 . 2]" 1
575 1 123 ASN HB2 1 124 ASN H 0.000 . 5.000 4.384 2.539 4.644 . 0 0 "[ . 1 . 2]" 1
576 1 124 ASN HA 1 125 HIS H 0.000 . 3.500 3.023 2.767 3.312 . 0 0 "[ . 1 . 2]" 1
577 1 124 ASN HB2 1 125 HIS H 0.000 . 5.000 4.227 3.480 4.616 . 0 0 "[ . 1 . 2]" 1
578 1 125 HIS HA 1 126 ASN H 0.000 . 3.500 2.244 2.138 2.370 . 0 0 "[ . 1 . 2]" 1
579 1 125 HIS HB3 1 126 ASN H 0.000 . 5.000 4.281 3.872 4.548 . 0 0 "[ . 1 . 2]" 1
580 1 125 HIS HB2 1 126 ASN H 0.000 . 5.000 4.612 4.375 4.671 . 0 0 "[ . 1 . 2]" 1
581 1 126 ASN HA 1 127 TYR H 0.000 . 3.500 2.205 2.139 2.299 . 0 0 "[ . 1 . 2]" 1
582 1 126 ASN HB2 1 127 TYR H 0.000 . 5.000 4.296 2.760 4.640 . 0 0 "[ . 1 . 2]" 1
583 1 127 TYR HA 1 128 THR H 0.000 . 2.700 2.388 2.167 2.598 . 0 0 "[ . 1 . 2]" 1
584 1 127 TYR HB3 1 128 THR H 0.000 . 5.000 2.641 2.113 3.379 . 0 0 "[ . 1 . 2]" 1
585 1 127 TYR HB2 1 128 THR H 0.000 . 5.000 3.967 3.593 4.407 . 0 0 "[ . 1 . 2]" 1
586 1 127 TYR QD 1 128 THR H 0.000 . 5.000 3.053 2.435 4.073 . 0 0 "[ . 1 . 2]" 1
587 1 128 THR HA 1 129 ASP H 0.000 . 5.000 2.666 2.380 3.032 . 0 0 "[ . 1 . 2]" 1
588 1 128 THR HB 1 129 ASP H 0.000 . 5.000 4.263 3.998 4.499 . 0 0 "[ . 1 . 2]" 1
589 1 128 THR MG 1 129 ASP H 0.000 . 5.000 4.220 3.947 4.358 . 0 0 "[ . 1 . 2]" 1
590 1 129 ASP HA 1 130 CYS H 0.000 . 3.500 2.201 2.145 2.372 . 0 0 "[ . 1 . 2]" 1
591 1 129 ASP HB3 1 130 CYS H 0.000 . 5.000 3.728 2.865 4.534 . 0 0 "[ . 1 . 2]" 1
592 1 129 ASP HB2 1 130 CYS H 0.000 . 5.000 3.678 2.835 4.413 . 0 0 "[ . 1 . 2]" 1
593 1 130 CYS HA 1 131 THR H 0.000 . 3.500 2.273 2.249 2.417 . 0 0 "[ . 1 . 2]" 1
594 1 130 CYS HB3 1 131 THR H 0.000 . 5.000 4.167 4.046 4.443 . 0 0 "[ . 1 . 2]" 1
595 1 130 CYS HB2 1 131 THR H 0.000 . 5.000 4.451 4.079 4.671 . 0 0 "[ . 1 . 2]" 1
596 1 131 THR HA 1 132 SER H 0.000 . 3.500 2.270 2.154 2.439 . 0 0 "[ . 1 . 2]" 1
597 1 131 THR HB 1 132 SER H 0.000 . 5.000 3.996 3.719 4.185 . 0 0 "[ . 1 . 2]" 1
598 1 131 THR HG1 1 132 SER H 0.000 . 5.000 3.014 2.042 3.779 . 0 0 "[ . 1 . 2]" 1
599 1 131 THR MG 1 132 SER H 0.000 . 5.000 3.619 3.297 4.060 . 0 0 "[ . 1 . 2]" 1
600 1 132 SER H 1 133 GLU QB 0.000 . 5.000 4.294 3.762 4.807 . 0 0 "[ . 1 . 2]" 1
601 1 132 SER H 1 133 GLU QG 0.000 . 5.000 4.659 3.546 5.001 0.001 12 0 "[ . 1 . 2]" 1
602 1 133 GLU HA 1 134 GLY H 0.000 . 3.500 2.417 2.142 3.501 0.001 17 0 "[ . 1 . 2]" 1
603 1 133 GLU QB 1 134 GLY H 0.000 . 5.000 3.339 1.815 3.947 . 0 0 "[ . 1 . 2]" 1
604 1 133 GLU QG 1 134 GLY H 0.000 . 5.000 3.927 2.654 4.856 . 0 0 "[ . 1 . 2]" 1
605 1 134 GLY HA3 1 135 ARG H 0.000 . 5.000 3.186 2.494 3.505 . 0 0 "[ . 1 . 2]" 1
606 1 134 GLY HA2 1 135 ARG H 0.000 . 5.000 3.302 2.922 3.563 . 0 0 "[ . 1 . 2]" 1
607 1 135 ARG HA 1 136 ARG H 0.000 . 3.500 2.821 2.134 3.553 0.053 6 0 "[ . 1 . 2]" 1
608 1 135 ARG HB3 1 136 ARG H 0.000 . 5.000 3.026 1.863 4.160 . 0 0 "[ . 1 . 2]" 1
609 1 136 ARG HA 1 137 ASP H 0.000 . 5.000 3.048 2.784 3.375 . 0 0 "[ . 1 . 2]" 1
610 1 136 ARG HB3 1 137 ASP H 0.000 . 5.000 4.231 3.808 4.651 . 0 0 "[ . 1 . 2]" 1
611 1 136 ARG HB2 1 137 ASP H 0.000 . 5.000 4.184 3.429 4.527 . 0 0 "[ . 1 . 2]" 1
612 1 137 ASP HA 1 138 ASN H 0.000 . 5.000 2.518 2.168 3.556 . 0 0 "[ . 1 . 2]" 1
613 1 137 ASP HB2 1 138 ASN H 0.000 . 5.000 3.323 1.860 4.424 . 0 0 "[ . 1 . 2]" 1
614 1 138 ASN HA 1 139 MET H 0.000 . 5.000 2.425 2.195 2.682 . 0 0 "[ . 1 . 2]" 1
615 1 138 ASN HB3 1 139 MET H 0.000 . 5.000 4.327 4.004 4.663 . 0 0 "[ . 1 . 2]" 1
616 1 138 ASN HB2 1 139 MET H 0.000 . 5.000 4.476 4.006 4.675 . 0 0 "[ . 1 . 2]" 1
617 1 139 MET H 1 140 LYS QB 0.000 . 5.000 4.725 4.131 4.838 . 0 0 "[ . 1 . 2]" 1
618 1 139 MET HA 1 140 LYS H 0.000 . 2.700 2.483 2.155 2.701 0.001 18 0 "[ . 1 . 2]" 1
619 1 139 MET HB2 1 140 LYS H 0.000 . 5.000 4.454 2.956 4.666 . 0 0 "[ . 1 . 2]" 1
620 1 139 MET HG2 1 140 LYS H 0.000 . 5.000 4.577 2.501 5.005 0.005 14 0 "[ . 1 . 2]" 1
621 1 139 MET HG3 1 140 LYS H 0.000 . 5.000 4.472 1.915 5.001 0.001 15 0 "[ . 1 . 2]" 1
622 1 140 LYS HA 1 141 TRP H 0.000 . 5.000 2.190 2.138 2.408 . 0 0 "[ . 1 . 2]" 1
623 1 141 TRP HA 1 142 CYS H 0.000 . 5.000 2.404 2.287 2.545 . 0 0 "[ . 1 . 2]" 1
624 1 141 TRP HB3 1 142 CYS H 0.000 . 5.000 3.823 3.632 4.086 . 0 0 "[ . 1 . 2]" 1
625 1 141 TRP HE3 1 142 CYS H 0.000 . 5.000 2.591 2.199 3.198 . 0 0 "[ . 1 . 2]" 1
626 1 142 CYS HA 1 143 GLY H 0.000 . 5.000 2.530 2.309 2.746 . 0 0 "[ . 1 . 2]" 1
627 1 142 CYS HB3 1 143 GLY H 0.000 . 5.000 3.612 3.366 3.938 . 0 0 "[ . 1 . 2]" 1
628 1 142 CYS HB2 1 143 GLY H 0.000 . 5.000 2.406 1.861 3.503 . 0 0 "[ . 1 . 2]" 1
629 1 143 GLY HA3 1 144 THR H 0.000 . 5.000 2.153 2.139 2.176 . 0 0 "[ . 1 . 2]" 1
630 1 143 GLY HA2 1 144 THR H 0.000 . 5.000 3.163 3.082 3.313 . 0 0 "[ . 1 . 2]" 1
631 1 144 THR HA 1 145 THR H 0.000 . 5.000 3.237 3.019 3.367 . 0 0 "[ . 1 . 2]" 1
632 1 144 THR MG 1 145 THR H 0.000 . 5.000 3.978 2.573 4.436 . 0 0 "[ . 1 . 2]" 1
633 1 145 THR HB 1 146 GLN H 0.000 . 3.500 2.419 1.872 2.891 . 0 0 "[ . 1 . 2]" 1
634 1 145 THR MG 1 146 GLN H 0.000 . 5.000 3.770 3.367 4.150 . 0 0 "[ . 1 . 2]" 1
635 1 146 GLN HA 1 147 ASN H 0.000 . 5.000 3.409 3.203 3.570 . 0 0 "[ . 1 . 2]" 1
636 1 146 GLN HB3 1 147 ASN H 0.000 . 5.000 3.679 2.464 4.383 . 0 0 "[ . 1 . 2]" 1
637 1 146 GLN HB2 1 147 ASN H 0.000 . 5.000 4.018 2.849 4.515 . 0 0 "[ . 1 . 2]" 1
638 1 146 GLN HG3 1 147 ASN H 0.000 . 5.000 3.907 2.011 5.007 0.007 3 0 "[ . 1 . 2]" 1
639 1 146 GLN HG2 1 147 ASN H 0.000 . 5.000 3.647 1.868 5.045 0.045 3 0 "[ . 1 . 2]" 1
640 1 147 ASN HA 1 148 TYR H 0.000 . 5.000 2.251 2.144 2.380 . 0 0 "[ . 1 . 2]" 1
641 1 147 ASN HB3 1 148 TYR H 0.000 . 5.000 4.081 3.701 4.622 . 0 0 "[ . 1 . 2]" 1
642 1 148 TYR HA 1 149 ASP H 0.000 . 5.000 3.567 3.551 3.576 . 0 0 "[ . 1 . 2]" 1
643 1 148 TYR HB3 1 149 ASP H 0.000 . 5.000 2.408 1.991 2.710 . 0 0 "[ . 1 . 2]" 1
644 1 148 TYR QD 1 149 ASP H 0.000 . 5.000 3.182 2.698 3.490 . 0 0 "[ . 1 . 2]" 1
645 1 148 TYR QE 1 149 ASP H 0.000 . 5.000 4.797 4.391 5.045 0.045 5 0 "[ . 1 . 2]" 1
646 1 149 ASP H 1 150 ALA MB 0.000 . 5.000 4.254 4.124 4.465 . 0 0 "[ . 1 . 2]" 1
647 1 149 ASP HA 1 150 ALA H 0.000 . 5.000 3.391 3.302 3.493 . 0 0 "[ . 1 . 2]" 1
648 1 149 ASP HB3 1 150 ALA H 0.000 . 5.000 3.398 2.880 4.276 . 0 0 "[ . 1 . 2]" 1
649 1 149 ASP HB2 1 150 ALA H 0.000 . 5.000 4.017 3.375 4.428 . 0 0 "[ . 1 . 2]" 1
650 1 150 ALA H 1 151 ASP HA 0.000 . 5.000 4.990 4.817 5.041 0.041 16 0 "[ . 1 . 2]" 1
651 1 150 ALA H 1 151 ASP HB2 0.000 . 5.000 4.504 3.939 5.916 0.916 9 1 "[ . +1 . 2]" 1
652 1 150 ALA HA 1 151 ASP H 0.000 . 5.000 3.411 3.110 3.551 . 0 0 "[ . 1 . 2]" 1
653 1 150 ALA MB 1 151 ASP H 0.000 . 3.500 2.973 2.478 3.497 . 0 0 "[ . 1 . 2]" 1
654 1 152 GLN HA 1 153 LYS H 0.000 . 5.000 2.791 2.491 3.148 . 0 0 "[ . 1 . 2]" 1
655 1 153 LYS HA 1 154 PHE H 0.000 . 5.000 2.156 2.138 2.194 . 0 0 "[ . 1 . 2]" 1
656 1 154 PHE HA 1 155 GLY H 0.000 . 5.000 2.418 2.218 2.635 . 0 0 "[ . 1 . 2]" 1
657 1 154 PHE HB2 1 155 GLY H 0.000 . 5.000 2.528 2.014 2.981 . 0 0 "[ . 1 . 2]" 1
658 1 154 PHE HB3 1 155 GLY H 0.000 . 5.000 3.870 3.511 4.115 . 0 0 "[ . 1 . 2]" 1
659 1 154 PHE QD 1 155 GLY H 0.000 . 5.000 2.911 2.045 3.791 . 0 0 "[ . 1 . 2]" 1
660 1 155 GLY QA 1 156 PHE H 0.000 . 5.000 2.166 2.107 2.233 . 0 0 "[ . 1 . 2]" 1
661 1 156 PHE HA 1 157 CYS H 0.000 . 5.000 2.184 2.139 2.388 . 0 0 "[ . 1 . 2]" 1
662 1 156 PHE HB3 1 157 CYS H 0.000 . 5.000 3.256 2.504 3.618 . 0 0 "[ . 1 . 2]" 1
663 1 156 PHE QD 1 157 CYS H 0.000 . 5.000 4.040 3.645 4.650 . 0 0 "[ . 1 . 2]" 1
664 1 158 PRO HA 1 159 MET H 0.000 . 2.700 2.480 2.165 2.707 0.007 4 0 "[ . 1 . 2]" 1
665 1 158 PRO HB3 1 159 MET H 0.000 . 5.000 3.131 2.459 4.518 . 0 0 "[ . 1 . 2]" 1
666 1 159 MET HA 1 160 ALA H 0.000 . 5.000 2.923 2.140 3.565 . 0 0 "[ . 1 . 2]" 1
667 1 159 MET HB3 1 160 ALA H 0.000 . 5.000 3.416 1.872 4.385 . 0 0 "[ . 1 . 2]" 1
668 1 159 MET HB2 1 160 ALA H 0.000 . 5.000 3.612 1.874 4.658 . 0 0 "[ . 1 . 2]" 1
669 1 159 MET HG3 1 160 ALA H 0.000 . 5.000 3.556 2.117 4.801 . 0 0 "[ . 1 . 2]" 1
670 1 159 MET HG2 1 160 ALA H 0.000 . 5.000 3.659 1.946 4.570 . 0 0 "[ . 1 . 2]" 1
671 1 10 VAL HA 1 11 VAL QG 0.000 . 3.500 3.385 3.015 3.517 0.017 3 0 "[ . 1 . 2]" 1
672 1 13 SER HA 1 14 VAL QG 0.000 . 3.500 3.410 3.334 3.504 0.004 5 0 "[ . 1 . 2]" 1
673 1 46 THR HA 1 47 TYR QD 0.000 . 5.000 4.048 3.610 4.365 . 0 0 "[ . 1 . 2]" 1
674 1 47 TYR QD 1 48 GLY QA 0.000 . 5.000 2.698 2.435 3.260 . 0 0 "[ . 1 . 2]" 1
675 1 54 GLU HB3 1 55 PRO QD 0.000 . 3.500 1.888 1.853 2.028 . 0 0 "[ . 1 . 2]" 1
676 1 54 GLU HB2 1 55 PRO QD 0.000 . 3.500 3.289 3.193 3.414 . 0 0 "[ . 1 . 2]" 1
677 1 54 GLU HG3 1 55 PRO QD 0.000 . 3.500 2.588 2.013 3.339 . 0 0 "[ . 1 . 2]" 1
678 1 54 GLU HG2 1 55 PRO QD 0.000 . 3.500 2.138 1.763 3.411 . 0 0 "[ . 1 . 2]" 1
679 1 54 GLU HA 1 55 PRO QD 0.000 . 2.700 2.245 2.177 2.320 . 0 0 "[ . 1 . 2]" 1
680 1 57 VAL QG 1 58 LEU HA 0.000 . 5.000 4.299 3.666 4.476 . 0 0 "[ . 1 . 2]" 1
681 1 58 LEU QD 1 59 PRO HA 0.000 . 5.000 2.988 2.123 3.263 . 0 0 "[ . 1 . 2]" 1
682 1 62 TYR HA 1 63 ASN HA 0.000 . 5.000 4.377 4.360 4.476 . 0 0 "[ . 1 . 2]" 1
683 1 62 TYR QD 1 63 ASN HB2 0.000 . 5.000 3.762 2.103 4.706 . 0 0 "[ . 1 . 2]" 1
684 1 62 TYR QE 1 63 ASN HB2 0.000 . 5.000 3.709 2.777 4.343 . 0 0 "[ . 1 . 2]" 1
685 1 66 THR HA 1 67 PHE QD 0.000 . 3.500 3.383 2.861 3.513 0.013 11 0 "[ . 1 . 2]" 1
686 1 66 THR HA 1 67 PHE QE 0.000 . 5.000 4.533 4.182 4.716 . 0 0 "[ . 1 . 2]" 1
687 1 66 THR MG 1 67 PHE HA 0.000 . 5.000 4.149 3.871 4.339 . 0 0 "[ . 1 . 2]" 1
688 1 66 THR MG 1 67 PHE QD 0.000 . 5.000 4.539 4.136 4.680 . 0 0 "[ . 1 . 2]" 1
689 1 67 PHE HA 1 68 TYR QD 0.000 . 5.000 3.293 2.729 4.016 . 0 0 "[ . 1 . 2]" 1
690 1 70 CYS HA 1 71 THR MG 0.000 . 5.000 3.734 3.324 4.056 . 0 0 "[ . 1 . 2]" 1
691 1 71 THR MG 1 72 THR HA 0.000 . 5.000 3.900 3.502 4.215 . 0 0 "[ . 1 . 2]" 1
692 1 81 TRP HE3 1 82 CYS HA 0.000 . 5.000 3.711 3.128 4.020 . 0 0 "[ . 1 . 2]" 1
693 1 81 TRP HZ3 1 82 CYS HA 0.000 . 5.000 4.764 4.041 5.007 0.007 15 0 "[ . 1 . 2]" 1
694 1 88 TYR QD 1 89 GLU HA 0.000 . 3.500 3.466 3.126 3.553 0.053 20 0 "[ . 1 . 2]" 1
695 1 88 TYR QE 1 89 GLU HA 0.000 . 5.000 4.204 3.727 4.705 . 0 0 "[ . 1 . 2]" 1
696 1 88 TYR QD 1 89 GLU HG3 0.000 . 5.000 3.799 2.137 4.988 . 0 0 "[ . 1 . 2]" 1
697 1 88 TYR QD 1 89 GLU HG2 0.000 . 5.000 3.333 2.242 5.000 . 0 0 "[ . 1 . 2]" 1
698 1 93 LYS HA 1 94 TYR QD 0.000 . 5.000 4.142 3.753 4.458 . 0 0 "[ . 1 . 2]" 1
699 1 94 TYR QD 1 95 SER HA 0.000 . 5.000 2.573 2.417 2.875 . 0 0 "[ . 1 . 2]" 1
700 1 94 TYR QE 1 95 SER HA 0.000 . 5.000 4.098 3.709 4.570 . 0 0 "[ . 1 . 2]" 1
701 1 97 CYS HA 1 98 THR MG 0.000 . 5.000 3.662 3.017 4.739 . 0 0 "[ . 1 . 2]" 1
702 1 118 PHE QD 1 119 PRO HA 0.000 . 3.500 2.532 2.317 2.805 . 0 0 "[ . 1 . 2]" 1
703 1 122 TYR QE 1 123 ASN HA 0.000 . 5.000 4.917 4.302 5.033 0.033 5 0 "[ . 1 . 2]" 1
704 1 122 TYR QE 1 123 ASN HB2 0.000 . 5.000 3.003 2.199 4.763 . 0 0 "[ . 1 . 2]" 1
705 1 126 ASN HA 1 127 TYR QD 0.000 . 5.000 4.373 3.941 4.868 . 0 0 "[ . 1 . 2]" 1
706 1 125 HIS HD2 1 126 ASN HB2 0.000 . 5.000 4.343 3.515 5.009 0.009 15 0 "[ . 1 . 2]" 1
707 1 131 THR MG 1 132 SER HA 0.000 . 5.000 3.888 3.582 4.306 . 0 0 "[ . 1 . 2]" 1
708 1 140 LYS HA 1 141 TRP HD1 0.000 . 5.000 3.925 3.426 4.566 . 0 0 "[ . 1 . 2]" 1
709 1 141 TRP HE3 1 142 CYS HA 0.000 . 5.000 2.795 2.207 3.474 . 0 0 "[ . 1 . 2]" 1
710 1 148 TYR QD 1 149 ASP HA 0.000 . 5.000 3.931 3.753 4.070 . 0 0 "[ . 1 . 2]" 1
711 1 148 TYR QE 1 149 ASP HA 0.000 . 5.000 4.344 4.031 4.539 . 0 0 "[ . 1 . 2]" 1
712 1 153 LYS HA 1 154 PHE QD 0.000 . 5.000 3.985 3.318 4.568 . 0 0 "[ . 1 . 2]" 1
713 1 157 CYS HA 1 158 PRO HD3 0.000 . 3.500 2.231 1.874 2.499 . 0 0 "[ . 1 . 2]" 1
714 1 157 CYS HA 1 158 PRO HD2 0.000 . 3.500 2.834 2.078 3.321 . 0 0 "[ . 1 . 2]" 1
715 1 6 THR H 1 10 VAL H 0.000 . 5.000 3.091 2.230 4.123 . 0 0 "[ . 1 . 2]" 1
716 1 6 THR H 1 9 GLY H 0.000 . 5.000 4.089 3.491 4.629 . 0 0 "[ . 1 . 2]" 1
717 1 8 SER H 1 10 VAL H 0.000 . 5.000 3.762 2.535 4.465 . 0 0 "[ . 1 . 2]" 1
718 1 7 ASP H 1 9 GLY H 0.000 . 5.000 4.433 4.124 5.009 0.009 1 0 "[ . 1 . 2]" 1
719 1 22 GLN H 1 25 LYS H 0.000 . 5.000 3.576 2.675 4.690 . 0 0 "[ . 1 . 2]" 1
720 1 23 GLY H 1 25 LYS H 0.000 . 5.000 3.956 3.596 4.624 . 0 0 "[ . 1 . 2]" 1
721 1 32 LEU H 1 35 GLY H 0.000 . 5.000 3.078 2.563 3.353 . 0 0 "[ . 1 . 2]" 1
722 1 33 GLY H 1 35 GLY H 0.000 . 5.000 4.216 3.240 4.899 . 0 0 "[ . 1 . 2]" 1
723 1 50 ASN H 1 52 ASN H 0.000 . 5.000 4.487 4.242 5.004 0.004 19 0 "[ . 1 . 2]" 1
724 1 51 SER H 1 53 GLY H 0.000 . 5.000 3.856 2.976 4.897 . 0 0 "[ . 1 . 2]" 1
725 1 52 ASN H 1 54 GLU H 0.000 . 5.000 4.709 4.155 5.008 0.008 20 0 "[ . 1 . 2]" 1
726 1 62 TYR H 1 65 ARG H 0.000 . 5.000 2.800 2.626 3.039 . 0 0 "[ . 1 . 2]" 1
727 1 63 ASN H 1 65 ARG H 0.000 . 5.000 4.369 4.205 4.824 . 0 0 "[ . 1 . 2]" 1
728 1 76 GLN H 1 78 GLY H 0.000 . 5.000 4.477 3.817 4.999 . 0 0 "[ . 1 . 2]" 1
729 1 77 ASP H 1 79 HIS H 0.000 . 5.000 4.284 2.762 5.221 0.221 17 0 "[ . 1 . 2]" 1
730 1 88 TYR H 1 90 GLN H 0.000 . 5.000 3.957 3.755 4.295 . 0 0 "[ . 1 . 2]" 1
731 1 89 GLU H 1 91 ASP H 0.000 . 5.000 4.853 4.207 5.002 0.002 16 0 "[ . 1 . 2]" 1
732 1 88 TYR H 1 91 ASP H 0.000 . 5.000 4.913 4.517 5.019 0.019 11 0 "[ . 1 . 2]" 1
733 1 90 GLN H 1 92 GLN H 0.000 . 5.000 3.618 3.000 4.152 . 0 0 "[ . 1 . 2]" 1
734 1 108 GLY H 1 110 ASN H 0.000 . 5.000 4.942 4.157 5.016 0.016 6 0 "[ . 1 . 2]" 1
735 1 110 ASN H 1 112 ASN H 0.000 . 5.000 3.851 3.220 5.003 0.003 19 0 "[ . 1 . 2]" 1
736 1 112 ASN H 1 114 ALA H 0.000 . 5.000 4.768 4.114 5.016 0.016 19 0 "[ . 1 . 2]" 1
737 1 122 TYR H 1 125 HIS H 0.000 . 3.500 2.856 1.998 3.147 . 0 0 "[ . 1 . 2]" 1
738 1 150 ALA H 1 152 GLN H 0.000 . 5.000 3.631 3.241 4.034 . 0 0 "[ . 1 . 2]" 1
739 1 6 THR H 1 10 VAL HB 0.000 . 5.000 3.784 2.837 4.549 . 0 0 "[ . 1 . 2]" 1
740 1 6 THR H 1 10 VAL QG 0.000 . 5.000 3.350 1.840 4.428 . 0 0 "[ . 1 . 2]" 1
741 1 8 SER H 1 10 VAL QG 0.000 . 5.000 4.232 1.986 4.931 . 0 0 "[ . 1 . 2]" 1
742 1 6 THR HA 1 8 SER H 0.000 . 5.000 3.580 2.933 4.934 . 0 0 "[ . 1 . 2]" 1
743 1 6 THR MG 1 8 SER H 0.000 . 5.000 4.001 1.818 4.910 . 0 0 "[ . 1 . 2]" 1
744 1 7 ASP HA 1 9 GLY H 0.000 . 5.000 4.140 3.358 5.000 0.000 6 0 "[ . 1 . 2]" 1
745 1 10 VAL H 1 12 TYR QE 0.000 . 5.000 5.002 4.326 5.153 0.153 4 0 "[ . 1 . 2]" 1
746 1 6 THR HA 1 10 VAL H 0.000 . 5.000 4.732 4.023 5.051 0.051 3 0 "[ . 1 . 2]" 1
747 1 6 THR MG 1 10 VAL H 0.000 . 5.000 3.271 1.918 4.035 . 0 0 "[ . 1 . 2]" 1
748 1 8 SER HA 1 10 VAL H 0.000 . 5.000 4.832 4.423 5.052 0.052 19 0 "[ . 1 . 2]" 1
749 1 14 VAL HA 1 16 MET H 0.000 . 5.000 3.262 3.188 3.538 . 0 0 "[ . 1 . 2]" 1
750 1 14 VAL QG 1 16 MET H 0.000 . 5.000 4.084 3.849 4.495 . 0 0 "[ . 1 . 2]" 1
751 1 18 TRP HE1 1 20 LYS QB 0.000 . 5.000 3.113 2.059 4.452 . 0 0 "[ . 1 . 2]" 1
752 1 18 TRP HE1 1 20 LYS QD 0.000 . 5.000 3.556 1.864 4.559 . 0 0 "[ . 1 . 2]" 1
753 1 22 GLN H 1 25 LYS QB 0.000 . 5.000 4.606 3.058 5.006 0.006 13 0 "[ . 1 . 2]" 1
754 1 22 GLN H 1 26 GLN HA 0.000 . 5.000 3.617 2.989 4.461 . 0 0 "[ . 1 . 2]" 1
755 1 21 THR MG 1 23 GLY H 0.000 . 5.000 3.536 2.110 4.991 . 0 0 "[ . 1 . 2]" 1
756 1 21 THR MG 1 24 ASN H 0.000 . 5.000 4.805 3.285 5.023 0.023 13 0 "[ . 1 . 2]" 1
757 1 21 THR HA 1 25 LYS H 0.000 . 5.000 4.048 3.557 4.797 . 0 0 "[ . 1 . 2]" 1
758 1 21 THR HB 1 25 LYS H 0.000 . 5.000 4.796 3.731 5.032 0.032 13 0 "[ . 1 . 2]" 1
759 1 21 THR MG 1 25 LYS H 0.000 . 5.000 3.505 2.116 4.816 . 0 0 "[ . 1 . 2]" 1
760 1 22 GLN HB3 1 25 LYS H 0.000 . 5.000 4.891 3.606 5.999 0.999 10 2 "[- . + . 2]" 1
761 1 23 GLY HA2 1 25 LYS H 0.000 . 5.000 4.019 3.429 4.593 . 0 0 "[ . 1 . 2]" 1
762 1 23 GLY HA3 1 25 LYS H 0.000 . 5.000 4.762 4.393 5.000 0.000 9 0 "[ . 1 . 2]" 1
763 1 32 LEU H 1 36 VAL HA 0.000 . 5.000 3.225 2.347 3.841 . 0 0 "[ . 1 . 2]" 1
764 1 32 LEU HB2 1 34 ASN H 0.000 . 5.000 3.846 2.535 5.015 0.015 11 0 "[ . 1 . 2]" 1
765 1 32 LEU HB3 1 34 ASN H 0.000 . 5.000 4.062 2.751 5.016 0.016 11 0 "[ . 1 . 2]" 1
766 1 31 CYS HA 1 35 GLY H 0.000 . 5.000 4.668 3.971 5.001 0.001 12 0 "[ . 1 . 2]" 1
767 1 32 LEU HB2 1 35 GLY H 0.000 . 5.000 3.659 2.626 4.218 . 0 0 "[ . 1 . 2]" 1
768 1 32 LEU HB3 1 35 GLY H 0.000 . 5.000 4.711 3.718 5.010 0.010 8 0 "[ . 1 . 2]" 1
769 1 36 VAL QG 1 38 CYS H 0.000 . 5.000 3.707 2.576 4.341 . 0 0 "[ . 1 . 2]" 1
770 1 40 GLU HB3 1 42 ALA H 0.000 . 5.000 3.413 2.076 5.000 0.000 7 0 "[ . 1 . 2]" 1
771 1 40 GLU HB2 1 42 ALA H 0.000 . 5.000 3.742 2.265 5.003 0.003 2 0 "[ . 1 . 2]" 1
772 1 40 GLU QG 1 42 ALA H 0.000 . 5.000 4.515 3.300 5.002 0.002 16 0 "[ . 1 . 2]" 1
773 1 44 THR MG 1 46 THR H 0.000 . 5.000 4.555 3.973 5.003 0.003 19 0 "[ . 1 . 2]" 1
774 1 48 GLY H 1 52 ASN HA 0.000 . 5.000 4.096 1.919 5.001 0.001 17 0 "[ . 1 . 2]" 1
775 1 47 TYR QD 1 49 GLY H 0.000 . 5.000 4.978 4.840 5.007 0.007 2 0 "[ . 1 . 2]" 1
776 1 49 GLY HA3 1 51 SER H 0.000 . 5.000 4.162 4.068 4.259 . 0 0 "[ . 1 . 2]" 1
777 1 50 ASN HA 1 52 ASN H 0.000 . 5.000 3.905 3.667 4.302 . 0 0 "[ . 1 . 2]" 1
778 1 51 SER HA 1 54 GLU H 0.000 . 5.000 4.791 3.548 5.003 0.003 17 0 "[ . 1 . 2]" 1
779 1 51 SER QB 1 54 GLU H 0.000 . 5.000 2.644 1.887 3.612 . 0 0 "[ . 1 . 2]" 1
780 1 58 LEU HA 1 60 PHE H 0.000 . 5.000 3.223 2.933 3.519 . 0 0 "[ . 1 . 2]" 1
781 1 58 LEU QD 1 60 PHE H 0.000 . 5.000 3.061 1.970 3.502 . 0 0 "[ . 1 . 2]" 1
782 1 62 TYR H 1 65 ARG QG 0.000 . 5.000 3.296 2.768 3.741 . 0 0 "[ . 1 . 2]" 1
783 1 62 TYR H 1 66 THR HA 0.000 . 5.000 3.629 3.356 3.704 . 0 0 "[ . 1 . 2]" 1
784 1 63 ASN HD21 1 67 PHE QE 0.000 . 5.000 4.089 3.261 5.688 0.688 6 1 "[ .+ 1 . 2]" 1
785 1 63 ASN H 1 67 PHE QE 0.000 . 5.000 4.473 4.247 4.522 . 0 0 "[ . 1 . 2]" 1
786 1 61 THR MG 1 64 GLY H 0.000 . 5.000 4.684 2.883 5.050 0.050 19 0 "[ . 1 . 2]" 1
787 1 62 TYR HA 1 64 GLY H 0.000 . 5.000 3.460 3.173 4.883 . 0 0 "[ . 1 . 2]" 1
788 1 61 THR HA 1 65 ARG H 0.000 . 5.000 4.562 4.420 4.759 . 0 0 "[ . 1 . 2]" 1
789 1 61 THR MG 1 65 ARG H 0.000 . 5.000 4.157 2.902 4.452 . 0 0 "[ . 1 . 2]" 1
790 1 62 TYR QD 1 65 ARG H 0.000 . 5.000 4.809 4.179 5.045 0.045 20 0 "[ . 1 . 2]" 1
791 1 63 ASN HA 1 65 ARG H 0.000 . 5.000 4.764 4.553 5.015 0.015 15 0 "[ . 1 . 2]" 1
792 1 63 ASN HB3 1 65 ARG H 0.000 . 5.000 4.297 3.684 4.670 . 0 0 "[ . 1 . 2]" 1
793 1 65 ARG H 1 67 PHE QD 0.000 . 5.000 4.964 4.766 5.015 0.015 6 0 "[ . 1 . 2]" 1
794 1 65 ARG H 1 67 PHE QE 0.000 . 5.000 3.282 3.094 3.390 . 0 0 "[ . 1 . 2]" 1
795 1 65 ARG H 1 67 PHE HZ 0.000 . 5.000 4.122 3.684 4.606 . 0 0 "[ . 1 . 2]" 1
796 1 71 THR MG 1 73 GLU H 0.000 . 5.000 2.362 1.838 3.108 . 0 0 "[ . 1 . 2]" 1
797 1 71 THR MG 1 75 ARG H 0.000 . 5.000 5.005 4.978 5.062 0.062 16 0 "[ . 1 . 2]" 1
798 1 73 GLU HA 1 75 ARG H 0.000 . 5.000 4.101 3.343 4.531 . 0 0 "[ . 1 . 2]" 1
799 1 75 ARG HB3 1 77 ASP H 0.000 . 5.000 2.899 2.398 4.880 . 0 0 "[ . 1 . 2]" 1
800 1 75 ARG HB3 1 78 GLY H 0.000 . 5.000 4.009 3.417 5.043 0.043 16 0 "[ . 1 . 2]" 1
801 1 75 ARG HB2 1 78 GLY H 0.000 . 5.000 4.648 3.469 5.014 0.014 17 0 "[ . 1 . 2]" 1
802 1 81 TRP HE3 1 83 SER H 0.000 . 5.000 4.214 3.138 4.835 . 0 0 "[ . 1 . 2]" 1
803 1 81 TRP HZ3 1 83 SER H 0.000 . 5.000 4.327 3.118 5.003 0.003 13 0 "[ . 1 . 2]" 1
804 1 84 THR H 1 88 TYR QD 0.000 . 5.000 4.143 3.719 4.773 . 0 0 "[ . 1 . 2]" 1
805 1 83 SER HB3 1 85 THR H 0.000 . 5.000 3.882 2.854 4.840 . 0 0 "[ . 1 . 2]" 1
806 1 83 SER HB2 1 85 THR H 0.000 . 5.000 4.021 3.000 4.768 . 0 0 "[ . 1 . 2]" 1
807 1 85 THR H 1 88 TYR QD 0.000 . 5.000 4.950 4.660 5.037 0.037 20 0 "[ . 1 . 2]" 1
808 1 85 THR HA 1 87 ASN H 0.000 . 5.000 4.305 3.721 4.846 . 0 0 "[ . 1 . 2]" 1
809 1 85 THR MG 1 87 ASN H 0.000 . 5.000 4.380 3.964 4.914 . 0 0 "[ . 1 . 2]" 1
810 1 87 ASN HA 1 89 GLU H 0.000 . 5.000 3.974 3.135 4.934 . 0 0 "[ . 1 . 2]" 1
811 1 87 ASN HA 1 90 GLN H 0.000 . 5.000 3.899 3.716 4.106 . 0 0 "[ . 1 . 2]" 1
812 1 87 ASN HB3 1 90 GLN H 0.000 . 5.000 3.196 2.416 4.544 . 0 0 "[ . 1 . 2]" 1
813 1 88 TYR HA 1 90 GLN H 0.000 . 5.000 3.910 3.591 4.417 . 0 0 "[ . 1 . 2]" 1
814 1 88 TYR HA 1 91 ASP H 0.000 . 5.000 3.803 3.573 4.125 . 0 0 "[ . 1 . 2]" 1
815 1 89 GLU HA 1 92 GLN HE21 0.000 . 5.000 2.905 2.099 3.752 . 0 0 "[ . 1 . 2]" 1
816 1 89 GLU HA 1 92 GLN HE22 0.000 . 5.000 2.964 1.826 5.001 0.001 6 0 "[ . 1 . 2]" 1
817 1 88 TYR HA 1 92 GLN H 0.000 . 5.000 2.958 2.363 4.443 . 0 0 "[ . 1 . 2]" 1
818 1 90 GLN QB 1 92 GLN H 0.000 . 5.000 4.281 4.013 4.697 . 0 0 "[ . 1 . 2]" 1
819 1 97 CYS QB 1 99 ASP H 0.000 . 5.000 4.964 4.793 5.038 0.038 20 0 "[ . 1 . 2]" 1
820 1 98 THR HA 1 100 HIS H 0.000 . 5.000 4.353 3.745 5.016 0.016 16 0 "[ . 1 . 2]" 1
821 1 98 THR MG 1 100 HIS H 0.000 . 5.000 4.995 4.690 5.066 0.066 20 0 "[ . 1 . 2]" 1
822 1 99 ASP HA 1 101 THR H 0.000 . 5.000 4.338 3.457 4.989 . 0 0 "[ . 1 . 2]" 1
823 1 101 THR MG 1 103 LEU H 0.000 . 5.000 4.046 2.139 5.001 0.001 14 0 "[ . 1 . 2]" 1
824 1 104 VAL QG 1 106 THR H 0.000 . 5.000 2.858 2.413 3.641 . 0 0 "[ . 1 . 2]" 1
825 1 109 GLY HA3 1 111 SER H 0.000 . 5.000 4.812 4.114 5.391 0.391 1 0 "[ . 1 . 2]" 1
826 1 110 ASN HA 1 112 ASN H 0.000 . 5.000 4.156 3.672 4.847 . 0 0 "[ . 1 . 2]" 1
827 1 111 SER QB 1 114 ALA H 0.000 . 5.000 3.152 2.399 3.874 . 0 0 "[ . 1 . 2]" 1
828 1 112 ASN HA 1 114 ALA H 0.000 . 5.000 4.816 4.094 5.017 0.017 9 0 "[ . 1 . 2]" 1
829 1 114 ALA HA 1 116 CYS H 0.000 . 5.000 5.038 4.937 5.096 0.096 10 0 "[ . 1 . 2]" 1
830 1 118 PHE QD 1 120 PHE H 0.000 . 5.000 3.606 2.932 4.094 . 0 0 "[ . 1 . 2]" 1
831 1 121 LEU QD 1 124 ASN H 0.000 . 5.000 2.306 1.697 3.484 . 0 0 "[ . 1 . 2]" 1
832 1 121 LEU HG 1 124 ASN H 0.000 . 5.000 3.365 2.478 4.823 . 0 0 "[ . 1 . 2]" 1
833 1 122 TYR HA 1 124 ASN H 0.000 . 5.000 4.021 3.352 4.469 . 0 0 "[ . 1 . 2]" 1
834 1 121 LEU HA 1 125 HIS H 0.000 . 5.000 4.330 3.760 5.012 0.012 5 0 "[ . 1 . 2]" 1
835 1 121 LEU QD 1 125 HIS H 0.000 . 5.000 2.057 1.703 3.200 . 0 0 "[ . 1 . 2]" 1
836 1 121 LEU HG 1 125 HIS H 0.000 . 5.000 3.914 2.446 4.705 . 0 0 "[ . 1 . 2]" 1
837 1 123 ASN HA 1 125 HIS H 0.000 . 5.000 4.267 4.083 5.027 0.027 18 0 "[ . 1 . 2]" 1
838 1 125 HIS H 1 127 TYR QD 0.000 . 5.000 4.430 3.932 4.951 . 0 0 "[ . 1 . 2]" 1
839 1 125 HIS H 1 127 TYR QE 0.000 . 5.000 4.953 4.601 5.024 0.024 3 0 "[ . 1 . 2]" 1
840 1 127 TYR HA 1 129 ASP H 0.000 . 5.000 4.612 4.155 5.004 0.004 15 0 "[ . 1 . 2]" 1
841 1 127 TYR HB2 1 129 ASP H 0.000 . 5.000 4.689 4.266 5.333 0.333 16 0 "[ . 1 . 2]" 1
842 1 127 TYR QD 1 129 ASP H 0.000 . 5.000 3.859 2.815 4.822 . 0 0 "[ . 1 . 2]" 1
843 1 129 ASP HA 1 131 THR H 0.000 . 5.000 5.034 5.006 5.066 0.066 15 0 "[ . 1 . 2]" 1
844 1 131 THR HA 1 133 GLU H 0.000 . 5.000 4.069 3.654 4.957 . 0 0 "[ . 1 . 2]" 1
845 1 131 THR HG1 1 133 GLU H 0.000 . 5.000 3.007 1.880 4.222 . 0 0 "[ . 1 . 2]" 1
846 1 131 THR MG 1 133 GLU H 0.000 . 5.000 2.748 2.222 3.096 . 0 0 "[ . 1 . 2]" 1
847 1 133 GLU HA 1 135 ARG H 0.000 . 5.000 3.687 3.196 5.006 0.006 12 0 "[ . 1 . 2]" 1
848 1 135 ARG HB3 1 137 ASP H 0.000 . 5.000 2.921 2.125 4.369 . 0 0 "[ . 1 . 2]" 1
849 1 135 ARG HB2 1 137 ASP H 0.000 . 5.000 3.821 2.255 5.007 0.007 20 0 "[ . 1 . 2]" 1
850 1 135 ARG QG 1 137 ASP H 0.000 . 5.000 3.854 1.875 4.609 . 0 0 "[ . 1 . 2]" 1
851 1 135 ARG HB3 1 139 MET H 0.000 . 5.000 4.612 2.751 5.980 0.980 15 2 "[ .- 1 + 2]" 1
852 1 137 ASP HB2 1 139 MET H 0.000 . 5.000 4.751 3.499 5.009 0.009 16 0 "[ . 1 . 2]" 1
853 1 143 GLY HA2 1 145 THR H 0.000 . 5.000 3.083 3.023 3.194 . 0 0 "[ . 1 . 2]" 1
854 1 145 THR HB 1 147 ASN H 0.000 . 5.000 3.079 2.513 3.854 . 0 0 "[ . 1 . 2]" 1
855 1 147 ASN H 1 150 ALA MB 0.000 . 5.000 3.984 2.931 4.624 . 0 0 "[ . 1 . 2]" 1
856 1 147 ASN HA 1 149 ASP H 0.000 . 5.000 4.127 3.797 4.499 . 0 0 "[ . 1 . 2]" 1
857 1 147 ASN HB2 1 150 ALA H 0.000 . 5.000 3.319 2.523 4.353 . 0 0 "[ . 1 . 2]" 1
858 1 148 TYR HA 1 151 ASP H 0.000 . 5.000 3.489 3.156 3.871 . 0 0 "[ . 1 . 2]" 1
859 1 149 ASP HA 1 152 GLN HE21 0.000 . 5.000 4.193 3.012 4.999 . 0 0 "[ . 1 . 2]" 1
860 1 149 ASP HA 1 152 GLN HE22 0.000 . 5.000 4.343 3.118 4.999 . 0 0 "[ . 1 . 2]" 1
861 1 148 TYR HA 1 152 GLN H 0.000 . 5.000 3.697 2.794 4.378 . 0 0 "[ . 1 . 2]" 1
862 1 6 THR MG 1 10 VAL HB 0.000 . 2.700 2.578 1.974 2.802 0.102 4 0 "[ . 1 . 2]" 1
863 1 10 VAL HB 1 12 TYR QE 0.000 . 5.000 2.715 1.918 3.939 . 0 0 "[ . 1 . 2]" 1
864 1 10 VAL QG 1 12 TYR QE 0.000 . 3.500 2.290 1.669 2.945 . 0 0 "[ . 1 . 2]" 1
865 1 6 THR MG 1 10 VAL QG 0.000 . 5.000 2.619 1.527 3.399 . 0 0 "[ . 1 . 2]" 1
866 1 12 TYR QE 1 16 MET ME 0.000 . 5.000 4.661 4.028 5.004 0.004 19 0 "[ . 1 . 2]" 1
867 1 13 SER HB3 1 16 MET ME 0.000 . 5.000 4.189 2.771 4.978 . 0 0 "[ . 1 . 2]" 1
868 1 13 SER HB2 1 16 MET ME 0.000 . 5.000 3.749 2.666 4.921 . 0 0 "[ . 1 . 2]" 1
869 1 18 TRP HD1 1 20 LYS QD 0.000 . 5.000 4.456 1.882 5.001 0.001 17 0 "[ . 1 . 2]" 1
870 1 30 THR MG 1 32 LEU HB2 0.000 . 5.000 4.854 4.500 5.000 0.000 13 0 "[ . 1 . 2]" 1
871 1 30 THR MG 1 32 LEU HG 0.000 . 2.700 2.701 2.621 2.750 0.050 10 0 "[ . 1 . 2]" 1
872 1 30 THR HB 1 32 LEU HG 0.000 . 5.000 3.757 3.243 4.162 . 0 0 "[ . 1 . 2]" 1
873 1 44 THR MG 1 46 THR HA 0.000 . 5.000 4.513 3.794 5.001 0.001 4 0 "[ . 1 . 2]" 1
874 1 56 CYS HB3 1 58 LEU QD 0.000 . 3.500 2.770 1.856 3.401 . 0 0 "[ . 1 . 2]" 1
875 1 56 CYS HB2 1 58 LEU QD 0.000 . 5.000 2.721 1.894 3.374 . 0 0 "[ . 1 . 2]" 1
876 1 58 LEU QD 1 60 PHE QD 0.000 . 5.000 1.809 1.743 1.925 . 0 0 "[ . 1 . 2]" 1
877 1 58 LEU QD 1 60 PHE QE 0.000 . 5.000 2.307 2.045 2.712 . 0 0 "[ . 1 . 2]" 1
878 1 58 LEU QD 1 60 PHE HZ 0.000 . 5.000 4.055 3.485 4.435 . 0 0 "[ . 1 . 2]" 1
879 1 56 CYS HB3 1 58 LEU HG 0.000 . 5.000 3.239 2.217 4.614 . 0 0 "[ . 1 . 2]" 1
880 1 56 CYS HB2 1 58 LEU HG 0.000 . 3.500 3.421 2.556 4.439 0.939 11 2 "[ . - 1+ . 2]" 1
881 1 65 ARG QB 1 67 PHE QE 0.000 . 3.500 3.553 3.532 3.610 0.110 19 0 "[ . 1 . 2]" 1
882 1 65 ARG QB 1 67 PHE HZ 0.000 . 5.000 3.312 3.088 4.003 . 0 0 "[ . 1 . 2]" 1
883 1 65 ARG QD 1 67 PHE QE 0.000 . 3.500 3.016 2.013 3.528 0.028 19 0 "[ . 1 . 2]" 1
884 1 65 ARG QG 1 67 PHE QD 0.000 . 5.000 2.949 2.738 3.064 . 0 0 "[ . 1 . 2]" 1
885 1 65 ARG QG 1 67 PHE QE 0.000 . 3.500 2.413 2.017 2.875 . 0 0 "[ . 1 . 2]" 1
886 1 65 ARG QG 1 67 PHE HZ 0.000 . 3.500 2.740 2.362 3.245 . 0 0 "[ . 1 . 2]" 1
887 1 66 THR HB 1 68 TYR QD 0.000 . 5.000 4.330 3.665 4.975 . 0 0 "[ . 1 . 2]" 1
888 1 66 THR HB 1 68 TYR QE 0.000 . 3.500 3.031 2.264 3.500 . 9 0 "[ . 1 . 2]" 1
889 1 66 THR MG 1 68 TYR QD 0.000 . 5.000 3.275 2.440 3.671 . 0 0 "[ . 1 . 2]" 1
890 1 66 THR MG 1 68 TYR QE 0.000 . 2.700 2.431 1.849 2.708 0.008 9 0 "[ . 1 . 2]" 1
891 1 67 PHE QD 1 71 THR HB 0.000 . 2.700 2.675 2.252 2.711 0.011 5 0 "[ . 1 . 2]" 1
892 1 67 PHE QE 1 71 THR HB 0.000 . 5.000 4.008 3.642 4.181 . 0 0 "[ . 1 . 2]" 1
893 1 67 PHE QD 1 71 THR MG 0.000 . 3.500 2.935 2.465 3.443 . 0 0 "[ . 1 . 2]" 1
894 1 67 PHE QE 1 71 THR MG 0.000 . 5.000 3.114 2.669 3.515 . 0 0 "[ . 1 . 2]" 1
895 1 67 PHE HZ 1 71 THR MG 0.000 . 5.000 4.036 3.607 4.358 . 0 0 "[ . 1 . 2]" 1
896 1 71 THR MG 1 73 GLU HA 0.000 . 5.000 4.375 3.908 4.790 . 0 0 "[ . 1 . 2]" 1
897 1 71 THR MG 1 73 GLU QB 0.000 . 2.700 2.347 1.848 2.700 0.000 14 0 "[ . 1 . 2]" 1
898 1 71 THR MG 1 73 GLU QG 0.000 . 5.000 3.856 2.511 4.428 . 0 0 "[ . 1 . 2]" 1
899 1 81 TRP HZ3 1 83 SER HA 0.000 . 5.000 3.885 3.203 4.587 . 0 0 "[ . 1 . 2]" 1
900 1 88 TYR QD 1 92 GLN HA 0.000 . 3.500 3.295 2.874 3.504 0.004 11 0 "[ . 1 . 2]" 1
901 1 88 TYR QE 1 92 GLN HA 0.000 . 3.500 3.478 3.280 3.519 0.019 8 0 "[ . 1 . 2]" 1
902 1 89 GLU HA 1 92 GLN QB 0.000 . 5.000 4.534 3.255 4.837 . 0 0 "[ . 1 . 2]" 1
903 1 89 GLU HA 1 92 GLN QG 0.000 . 5.000 4.549 4.004 5.040 0.040 14 0 "[ . 1 . 2]" 1
904 1 94 TYR QD 1 96 PHE QD 0.000 . 5.000 3.534 3.422 3.750 . 0 0 "[ . 1 . 2]" 1
905 1 94 TYR QD 1 96 PHE QE 0.000 . 3.500 3.073 2.763 3.493 . 0 0 "[ . 1 . 2]" 1
906 1 94 TYR QE 1 96 PHE QD 0.000 . 5.000 3.864 3.632 4.194 . 0 0 "[ . 1 . 2]" 1
907 1 94 TYR QE 1 96 PHE QE 0.000 . 3.500 1.962 1.870 2.113 . 0 0 "[ . 1 . 2]" 1
908 1 94 TYR QE 1 96 PHE HZ 0.000 . 2.700 2.620 2.201 2.706 0.006 12 0 "[ . 1 . 2]" 1
909 1 116 CYS HB3 1 118 PHE HZ 0.000 . 5.000 4.359 3.907 5.007 0.007 14 0 "[ . 1 . 2]" 1
910 1 118 PHE HA 1 120 PHE QD 0.000 . 5.000 3.133 2.806 3.776 . 0 0 "[ . 1 . 2]" 1
911 1 118 PHE QD 1 120 PHE QD 0.000 . 3.500 2.813 2.452 3.267 . 0 0 "[ . 1 . 2]" 1
912 1 118 PHE QD 1 120 PHE QE 0.000 . 3.500 3.503 3.429 3.553 0.053 15 0 "[ . 1 . 2]" 1
913 1 117 HIS HD2 1 120 PHE HA 0.000 . 5.000 3.565 1.949 5.011 0.011 18 0 "[ . 1 . 2]" 1
914 1 121 LEU QD 1 124 ASN HB3 0.000 . 5.000 3.692 3.110 4.232 . 0 0 "[ . 1 . 2]" 1
915 1 121 LEU QD 1 124 ASN HB2 0.000 . 5.000 3.825 3.324 4.433 . 0 0 "[ . 1 . 2]" 1
916 1 121 LEU QD 1 124 ASN HA 0.000 . 2.700 2.050 1.660 2.499 . 0 0 "[ . 1 . 2]" 1
917 1 121 LEU HG 1 124 ASN HA 0.000 . 2.700 2.674 2.156 2.876 0.176 11 0 "[ . 1 . 2]" 1
918 1 121 LEU HG 1 124 ASN HB2 0.000 . 5.000 5.134 4.846 5.708 0.708 14 2 "[ - . 1 +. 2]" 1
919 1 127 TYR QD 1 131 THR HA 0.000 . 5.000 4.715 4.197 5.010 0.010 11 0 "[ . 1 . 2]" 1
920 1 127 TYR QE 1 131 THR HA 0.000 . 5.000 4.483 3.714 5.006 0.006 13 0 "[ . 1 . 2]" 1
921 1 127 TYR QD 1 131 THR HB 0.000 . 3.500 2.713 2.079 3.208 . 0 0 "[ . 1 . 2]" 1
922 1 127 TYR QE 1 131 THR HB 0.000 . 3.500 3.072 2.397 3.519 0.019 15 0 "[ . 1 . 2]" 1
923 1 127 TYR QD 1 131 THR MG 0.000 . 3.500 3.289 2.466 3.507 0.007 18 0 "[ . 1 . 2]" 1
924 1 127 TYR QE 1 131 THR MG 0.000 . 5.000 3.622 2.811 3.972 . 0 0 "[ . 1 . 2]" 1
925 1 131 THR MG 1 133 GLU HA 0.000 . 5.000 4.875 4.303 5.021 0.021 15 0 "[ . 1 . 2]" 1
926 1 131 THR MG 1 133 GLU QB 0.000 . 3.500 2.857 2.193 3.393 . 0 0 "[ . 1 . 2]" 1
927 1 131 THR MG 1 133 GLU QG 0.000 . 5.000 3.905 2.099 4.669 . 0 0 "[ . 1 . 2]" 1
928 1 147 ASN HA 1 150 ALA MB 0.000 . 3.500 3.572 3.514 3.662 0.162 16 0 "[ . 1 . 2]" 1
929 1 147 ASN HB3 1 150 ALA MB 0.000 . 2.700 1.902 1.691 3.009 0.309 1 0 "[ . 1 . 2]" 1
930 1 147 ASN HB2 1 150 ALA MB 0.000 . 3.500 1.798 1.651 2.809 . 0 0 "[ . 1 . 2]" 1
931 1 148 TYR HA 1 151 ASP HB2 0.000 . 5.000 4.045 2.944 5.182 0.182 11 0 "[ . 1 . 2]" 1
932 1 148 TYR QE 1 152 GLN HA 0.000 . 3.500 3.253 1.873 3.522 0.022 16 0 "[ . 1 . 2]" 1
933 1 154 PHE QE 1 156 PHE QE 0.000 . 5.000 2.784 1.874 3.580 . 0 0 "[ . 1 . 2]" 1
934 1 154 PHE QE 1 156 PHE HZ 0.000 . 3.500 3.149 2.127 3.508 0.008 15 0 "[ . 1 . 2]" 1
935 1 4 CYS H 1 12 TYR H 0.000 . 5.000 3.161 2.023 4.021 . 0 0 "[ . 1 . 2]" 1
936 1 6 THR H 1 12 TYR H 0.000 . 5.000 4.262 3.402 5.006 0.006 6 0 "[ . 1 . 2]" 1
937 1 16 MET H 1 31 CYS H 0.000 . 5.000 2.937 2.649 3.243 . 0 0 "[ . 1 . 2]" 1
938 1 18 TRP H 1 29 CYS H 0.000 . 5.000 3.033 2.612 3.231 . 0 0 "[ . 1 . 2]" 1
939 1 20 LYS H 1 27 MET H 0.000 . 5.000 2.831 1.871 3.579 . 0 0 "[ . 1 . 2]" 1
940 1 22 GLN H 1 27 MET H 0.000 . 5.000 3.598 3.156 4.415 . 0 0 "[ . 1 . 2]" 1
941 1 28 LEU H 1 39 GLN H 0.000 . 5.000 3.124 2.394 3.880 . 0 0 "[ . 1 . 2]" 1
942 1 30 THR H 1 37 SER H 0.000 . 5.000 3.013 1.874 3.743 . 0 0 "[ . 1 . 2]" 1
943 1 47 TYR H 1 96 PHE H 0.000 . 5.000 3.536 2.824 4.267 . 0 0 "[ . 1 . 2]" 1
944 1 50 ASN H 1 94 TYR H 0.000 . 5.000 3.287 2.570 3.708 . 0 0 "[ . 1 . 2]" 1
945 1 60 PHE H 1 67 PHE H 0.000 . 5.000 3.675 3.309 4.334 . 0 0 "[ . 1 . 2]" 1
946 1 61 THR H 1 88 TYR H 0.000 . 5.000 4.539 3.958 5.005 0.005 14 0 "[ . 1 . 2]" 1
947 1 71 THR H 1 81 TRP H 0.000 . 5.000 2.428 2.065 3.273 . 0 0 "[ . 1 . 2]" 1
948 1 82 CYS H 1 95 SER H 0.000 . 5.000 2.266 2.014 2.554 . 0 0 "[ . 1 . 2]" 1
949 1 82 CYS H 1 97 CYS H 0.000 . 5.000 4.427 3.626 5.000 0.000 3 0 "[ . 1 . 2]" 1
950 1 104 VAL H 1 116 CYS H 0.000 . 5.000 4.028 3.269 4.629 . 0 0 "[ . 1 . 2]" 1
951 1 106 THR H 1 116 CYS H 0.000 . 5.000 2.273 1.858 2.766 . 0 0 "[ . 1 . 2]" 1
952 1 107 ARG H 1 156 PHE H 0.000 . 5.000 2.521 2.161 3.147 . 0 0 "[ . 1 . 2]" 1
953 1 110 ASN H 1 154 PHE H 0.000 . 5.000 4.083 2.774 5.004 0.004 11 0 "[ . 1 . 2]" 1
954 1 106 THR H 1 114 ALA H 0.000 . 5.000 3.956 3.633 4.458 . 0 0 "[ . 1 . 2]" 1
955 1 120 PHE H 1 127 TYR H 0.000 . 5.000 3.713 2.841 4.507 . 0 0 "[ . 1 . 2]" 1
956 1 121 LEU H 1 148 TYR H 0.000 . 5.000 2.782 2.004 3.319 . 0 0 "[ . 1 . 2]" 1
957 1 120 PHE H 1 129 ASP H 0.000 . 5.000 4.396 3.928 5.032 0.032 15 0 "[ . 1 . 2]" 1
958 1 131 THR H 1 141 TRP H 0.000 . 5.000 4.198 3.692 4.714 . 0 0 "[ . 1 . 2]" 1
959 1 142 CYS H 1 155 GLY H 0.000 . 5.000 2.541 1.875 3.258 . 0 0 "[ . 1 . 2]" 1
960 1 3 HIS H 1 13 SER HA 0.000 . 5.000 4.107 3.299 4.990 . 0 0 "[ . 1 . 2]" 1
961 1 3 HIS H 1 14 VAL QG 0.000 . 5.000 2.844 1.847 3.884 . 0 0 "[ . 1 . 2]" 1
962 1 4 CYS H 1 11 VAL QG 0.000 . 5.000 2.843 2.181 3.585 . 0 0 "[ . 1 . 2]" 1
963 1 4 CYS H 1 13 SER HA 0.000 . 5.000 3.417 2.965 4.008 . 0 0 "[ . 1 . 2]" 1
964 1 5 VAL H 1 11 VAL QG 0.000 . 5.000 3.826 2.669 4.604 . 0 0 "[ . 1 . 2]" 1
965 1 5 VAL H 1 36 VAL QG 0.000 . 5.000 4.679 3.670 4.936 . 0 0 "[ . 1 . 2]" 1
966 1 6 THR H 1 11 VAL QG 0.000 . 5.000 4.265 3.696 4.646 . 0 0 "[ . 1 . 2]" 1
967 1 5 VAL HA 1 12 TYR H 0.000 . 5.000 3.384 2.897 3.974 . 0 0 "[ . 1 . 2]" 1
968 1 3 HIS HA 1 14 VAL H 0.000 . 5.000 2.828 1.988 3.688 . 0 0 "[ . 1 . 2]" 1
969 1 16 MET H 1 30 THR HB 0.000 . 5.000 5.048 5.018 5.138 0.138 9 0 "[ . 1 . 2]" 1
970 1 16 MET H 1 30 THR MG 0.000 . 5.000 2.324 2.219 2.762 . 0 0 "[ . 1 . 2]" 1
971 1 16 MET H 1 31 CYS HB3 0.000 . 5.000 3.218 2.475 4.759 . 0 0 "[ . 1 . 2]" 1
972 1 16 MET H 1 31 CYS HB2 0.000 . 5.000 4.286 2.756 4.999 . 0 0 "[ . 1 . 2]" 1
973 1 12 TYR QE 1 18 TRP HE1 0.000 . 5.000 3.731 2.639 4.493 . 0 0 "[ . 1 . 2]" 1
974 1 18 TRP HE1 1 29 CYS HB3 0.000 . 5.000 3.763 2.663 5.001 0.001 2 0 "[ . 1 . 2]" 1
975 1 18 TRP HE1 1 29 CYS HB2 0.000 . 5.000 3.280 2.401 4.289 . 0 0 "[ . 1 . 2]" 1
976 1 18 TRP HE1 1 36 VAL QG 0.000 . 5.000 4.148 3.760 4.424 . 0 0 "[ . 1 . 2]" 1
977 1 6 THR MG 1 18 TRP HE1 0.000 . 5.000 3.002 1.808 4.175 . 0 0 "[ . 1 . 2]" 1
978 1 18 TRP H 1 28 LEU HA 0.000 . 5.000 4.317 3.948 4.644 . 0 0 "[ . 1 . 2]" 1
979 1 18 TRP H 1 28 LEU QD 0.000 . 5.000 3.448 2.300 4.113 . 0 0 "[ . 1 . 2]" 1
980 1 18 TRP H 1 30 THR HA 0.000 . 5.000 3.334 2.949 3.660 . 0 0 "[ . 1 . 2]" 1
981 1 20 LYS H 1 27 MET HB3 0.000 . 5.000 4.812 3.992 5.007 0.007 9 0 "[ . 1 . 2]" 1
982 1 20 LYS H 1 27 MET HB2 0.000 . 5.000 4.402 3.392 5.004 0.004 9 0 "[ . 1 . 2]" 1
983 1 20 LYS H 1 28 LEU HA 0.000 . 5.000 3.539 2.693 4.220 . 0 0 "[ . 1 . 2]" 1
984 1 20 LYS H 1 28 LEU QD 0.000 . 5.000 4.520 3.573 4.912 . 0 0 "[ . 1 . 2]" 1
985 1 22 GLN H 1 27 MET HG3 0.000 . 5.000 3.743 2.317 5.000 0.000 4 0 "[ . 1 . 2]" 1
986 1 22 GLN H 1 27 MET HG2 0.000 . 5.000 4.804 3.270 5.004 0.004 20 0 "[ . 1 . 2]" 1
987 1 20 LYS QB 1 27 MET H 0.000 . 5.000 4.203 2.671 5.004 0.004 13 0 "[ . 1 . 2]" 1
988 1 20 LYS QD 1 27 MET H 0.000 . 5.000 4.696 3.014 5.038 0.038 8 0 "[ . 1 . 2]" 1
989 1 21 THR HA 1 27 MET H 0.000 . 5.000 3.168 2.339 4.162 . 0 0 "[ . 1 . 2]" 1
990 1 28 LEU H 1 40 GLU HA 0.000 . 5.000 3.224 2.887 3.711 . 0 0 "[ . 1 . 2]" 1
991 1 17 GLN HA 1 29 CYS H 0.000 . 5.000 4.846 4.282 5.009 0.009 9 0 "[ . 1 . 2]" 1
992 1 19 LEU HA 1 29 CYS H 0.000 . 5.000 3.119 2.572 3.751 . 0 0 "[ . 1 . 2]" 1
993 1 30 THR H 1 36 VAL HA 0.000 . 5.000 4.030 3.468 4.491 . 0 0 "[ . 1 . 2]" 1
994 1 30 THR H 1 36 VAL QG 0.000 . 5.000 2.816 2.125 4.475 . 0 0 "[ . 1 . 2]" 1
995 1 30 THR H 1 38 CYS HA 0.000 . 5.000 3.485 2.745 4.038 . 0 0 "[ . 1 . 2]" 1
996 1 14 VAL HA 1 31 CYS H 0.000 . 5.000 4.279 3.954 4.640 . 0 0 "[ . 1 . 2]" 1
997 1 17 GLN HA 1 31 CYS H 0.000 . 5.000 3.548 3.303 3.685 . 0 0 "[ . 1 . 2]" 1
998 1 18 TRP HE3 1 31 CYS H 0.000 . 5.000 3.154 2.633 3.696 . 0 0 "[ . 1 . 2]" 1
999 1 18 TRP HH2 1 31 CYS H 0.000 . 5.000 4.058 3.818 4.549 . 0 0 "[ . 1 . 2]" 1
1000 1 18 TRP HZ3 1 31 CYS H 0.000 . 5.000 1.958 1.851 2.561 . 0 0 "[ . 1 . 2]" 1
1001 1 14 VAL QG 1 33 GLY H 0.000 . 5.000 2.599 1.629 3.712 . 0 0 "[ . 1 . 2]" 1
1002 1 31 CYS HA 1 37 SER H 0.000 . 5.000 3.610 2.531 4.274 . 0 0 "[ . 1 . 2]" 1
1003 1 32 LEU HB2 1 37 SER H 0.000 . 5.000 4.292 3.293 5.007 0.007 3 0 "[ . 1 . 2]" 1
1004 1 32 LEU HG 1 37 SER H 0.000 . 5.000 4.583 3.724 5.006 0.006 8 0 "[ . 1 . 2]" 1
1005 1 27 MET ME 1 38 CYS H 0.000 . 5.000 4.776 4.334 5.001 0.001 4 0 "[ . 1 . 2]" 1
1006 1 27 MET HA 1 39 GLN H 0.000 . 5.000 4.636 4.020 5.001 0.001 6 0 "[ . 1 . 2]" 1
1007 1 27 MET ME 1 39 GLN H 0.000 . 5.000 2.789 2.104 3.632 . 0 0 "[ . 1 . 2]" 1
1008 1 28 LEU HG 1 39 GLN H 0.000 . 5.000 4.834 2.619 5.015 0.015 17 0 "[ . 1 . 2]" 1
1009 1 29 CYS HA 1 39 GLN H 0.000 . 5.000 3.459 2.731 3.695 . 0 0 "[ . 1 . 2]" 1
1010 1 27 MET HA 1 40 GLU H 0.000 . 5.000 4.882 4.583 5.005 0.005 9 0 "[ . 1 . 2]" 1
1011 1 27 MET ME 1 40 GLU H 0.000 . 5.000 2.186 1.764 3.149 . 0 0 "[ . 1 . 2]" 1
1012 1 27 MET HA 1 41 THR H 0.000 . 5.000 3.942 2.478 4.869 . 0 0 "[ . 1 . 2]" 1
1013 1 47 TYR H 1 97 CYS HA 0.000 . 5.000 3.457 2.778 4.307 . 0 0 "[ . 1 . 2]" 1
1014 1 48 GLY H 1 53 GLY HA2 0.000 . 5.000 3.656 2.423 5.669 0.669 19 1 "[ . 1 . +2]" 1
1015 1 49 GLY H 1 94 TYR QE 0.000 . 5.000 4.090 3.364 4.512 . 0 0 "[ . 1 . 2]" 1
1016 1 49 GLY H 1 95 SER HA 0.000 . 5.000 4.797 4.443 5.006 0.006 20 0 "[ . 1 . 2]" 1
1017 1 49 GLY H 1 96 PHE QD 0.000 . 5.000 3.608 3.280 4.018 . 0 0 "[ . 1 . 2]" 1
1018 1 49 GLY H 1 96 PHE QE 0.000 . 5.000 2.150 1.873 2.755 . 0 0 "[ . 1 . 2]" 1
1019 1 50 ASN H 1 94 TYR QE 0.000 . 5.000 2.820 2.447 3.372 . 0 0 "[ . 1 . 2]" 1
1020 1 50 ASN H 1 95 SER HA 0.000 . 5.000 3.782 3.060 4.474 . 0 0 "[ . 1 . 2]" 1
1021 1 50 ASN QD 1 94 TYR QD 0.000 . 3.500 2.934 2.238 3.395 . 0 0 "[ . 1 . 2]" 1
1022 1 50 ASN QD 1 94 TYR QE 0.000 . 5.000 2.656 1.930 3.770 . 0 0 "[ . 1 . 2]" 1
1023 1 51 SER H 1 94 TYR QD 0.000 . 5.000 4.800 4.337 5.009 0.009 18 0 "[ . 1 . 2]" 1
1024 1 51 SER H 1 94 TYR QE 0.000 . 5.000 5.000 4.971 5.009 0.009 2 0 "[ . 1 . 2]" 1
1025 1 54 GLU H 1 84 THR MG 0.000 . 5.000 3.749 3.023 4.751 . 0 0 "[ . 1 . 2]" 1
1026 1 54 GLU H 1 95 SER HG 0.000 . 5.000 3.286 2.140 4.667 . 0 0 "[ . 1 . 2]" 1
1027 1 46 THR MG 1 56 CYS H 0.000 . 3.500 3.204 2.160 3.501 0.001 1 0 "[ . 1 . 2]" 1
1028 1 57 VAL H 1 84 THR HA 0.000 . 5.000 2.870 2.619 3.213 . 0 0 "[ . 1 . 2]" 1
1029 1 60 PHE H 1 66 THR MG 0.000 . 5.000 3.624 3.149 4.107 . 0 0 "[ . 1 . 2]" 1
1030 1 60 PHE H 1 67 PHE HB3 0.000 . 5.000 4.855 4.176 5.010 0.010 11 0 "[ . 1 . 2]" 1
1031 1 60 PHE H 1 67 PHE HB2 0.000 . 5.000 3.555 2.901 3.753 . 0 0 "[ . 1 . 2]" 1
1032 1 60 PHE H 1 67 PHE QD 0.000 . 5.000 4.547 4.321 4.907 . 0 0 "[ . 1 . 2]" 1
1033 1 60 PHE H 1 68 TYR HA 0.000 . 5.000 3.355 2.937 3.562 . 0 0 "[ . 1 . 2]" 1
1034 1 62 TYR H 1 67 PHE QD 0.000 . 5.000 2.831 2.486 2.939 . 0 0 "[ . 1 . 2]" 1
1035 1 62 TYR H 1 67 PHE QE 0.000 . 5.000 1.878 1.832 1.985 . 0 0 "[ . 1 . 2]" 1
1036 1 61 THR HA 1 66 THR H 0.000 . 5.000 4.392 4.295 4.483 . 0 0 "[ . 1 . 2]" 1
1037 1 61 THR MG 1 66 THR H 0.000 . 5.000 3.211 2.772 3.807 . 0 0 "[ . 1 . 2]" 1
1038 1 61 THR HA 1 67 PHE H 0.000 . 5.000 2.305 1.907 2.434 . 0 0 "[ . 1 . 2]" 1
1039 1 61 THR MG 1 67 PHE H 0.000 . 5.000 3.365 3.128 3.548 . 0 0 "[ . 1 . 2]" 1
1040 1 58 LEU QD 1 70 CYS H 0.000 . 5.000 3.267 2.771 3.991 . 0 0 "[ . 1 . 2]" 1
1041 1 70 CYS H 1 80 LEU QD 0.000 . 5.000 4.602 3.922 4.866 . 0 0 "[ . 1 . 2]" 1
1042 1 60 PHE HZ 1 71 THR H 0.000 . 5.000 3.896 2.902 4.723 . 0 0 "[ . 1 . 2]" 1
1043 1 71 THR H 1 80 LEU HA 0.000 . 5.000 3.965 2.708 4.774 . 0 0 "[ . 1 . 2]" 1
1044 1 71 THR H 1 80 LEU QD 0.000 . 5.000 3.150 2.452 3.701 . 0 0 "[ . 1 . 2]" 1
1045 1 72 THR H 1 80 LEU HB3 0.000 . 5.000 4.166 3.409 5.003 0.003 11 0 "[ . 1 . 2]" 1
1046 1 72 THR H 1 80 LEU QD 0.000 . 5.000 3.048 2.129 4.265 . 0 0 "[ . 1 . 2]" 1
1047 1 72 THR H 1 81 TRP HE1 0.000 . 5.000 4.733 4.140 5.013 0.013 17 0 "[ . 1 . 2]" 1
1048 1 73 GLU H 1 81 TRP HE1 0.000 . 5.000 3.003 2.089 3.773 . 0 0 "[ . 1 . 2]" 1
1049 1 75 ARG H 1 81 TRP HD1 0.000 . 5.000 3.448 2.739 4.831 . 0 0 "[ . 1 . 2]" 1
1050 1 75 ARG H 1 81 TRP HE1 0.000 . 5.000 2.953 2.362 3.712 . 0 0 "[ . 1 . 2]" 1
1051 1 72 THR MG 1 78 GLY H 0.000 . 5.000 4.281 3.272 5.001 0.001 12 0 "[ . 1 . 2]" 1
1052 1 72 THR MG 1 80 LEU H 0.000 . 5.000 3.600 2.066 4.121 . 0 0 "[ . 1 . 2]" 1
1053 1 71 THR MG 1 81 TRP HE1 0.000 . 5.000 2.716 2.267 3.253 . 0 0 "[ . 1 . 2]" 1
1054 1 72 THR HA 1 81 TRP HE1 0.000 . 5.000 3.497 2.876 4.012 . 0 0 "[ . 1 . 2]" 1
1055 1 73 GLU QB 1 81 TRP HE1 0.000 . 3.500 3.244 2.711 3.527 0.027 17 0 "[ . 1 . 2]" 1
1056 1 75 ARG HG3 1 81 TRP HE1 0.000 . 5.000 4.374 2.984 5.000 0.000 4 0 "[ . 1 . 2]" 1
1057 1 75 ARG HG2 1 81 TRP HE1 0.000 . 5.000 3.707 2.862 4.660 . 0 0 "[ . 1 . 2]" 1
1058 1 70 CYS HA 1 81 TRP H 0.000 . 5.000 4.225 3.689 4.938 . 0 0 "[ . 1 . 2]" 1
1059 1 70 CYS HB3 1 81 TRP H 0.000 . 5.000 3.822 3.220 5.001 0.001 1 0 "[ . 1 . 2]" 1
1060 1 71 THR MG 1 81 TRP H 0.000 . 5.000 3.465 2.957 3.880 . 0 0 "[ . 1 . 2]" 1
1061 1 72 THR HA 1 81 TRP H 0.000 . 5.000 3.407 3.103 3.887 . 0 0 "[ . 1 . 2]" 1
1062 1 72 THR MG 1 81 TRP H 0.000 . 5.000 3.988 3.552 4.403 . 0 0 "[ . 1 . 2]" 1
1063 1 82 CYS H 1 94 TYR HA 0.000 . 5.000 4.263 3.806 4.627 . 0 0 "[ . 1 . 2]" 1
1064 1 82 CYS H 1 94 TYR HB2 0.000 . 5.000 3.173 2.604 3.522 . 0 0 "[ . 1 . 2]" 1
1065 1 82 CYS H 1 94 TYR HB3 0.000 . 5.000 4.758 4.187 5.005 0.005 8 0 "[ . 1 . 2]" 1
1066 1 82 CYS H 1 94 TYR QD 0.000 . 5.000 4.294 3.886 4.809 . 0 0 "[ . 1 . 2]" 1
1067 1 82 CYS H 1 96 PHE HA 0.000 . 5.000 3.742 3.344 4.105 . 0 0 "[ . 1 . 2]" 1
1068 1 60 PHE HZ 1 83 SER H 0.000 . 5.000 3.777 3.160 4.853 . 0 0 "[ . 1 . 2]" 1
1069 1 84 THR H 1 94 TYR HA 0.000 . 5.000 2.046 1.873 2.729 . 0 0 "[ . 1 . 2]" 1
1070 1 84 THR H 1 94 TYR HB3 0.000 . 5.000 3.764 3.304 4.217 . 0 0 "[ . 1 . 2]" 1
1071 1 57 VAL HB 1 85 THR H 0.000 . 5.000 2.557 1.972 5.015 0.015 12 0 "[ . 1 . 2]" 1
1072 1 57 VAL QG 1 85 THR H 0.000 . 5.000 2.557 2.120 2.880 . 0 0 "[ . 1 . 2]" 1
1073 1 57 VAL QG 1 86 SER H 0.000 . 5.000 2.033 1.838 2.178 . 0 0 "[ . 1 . 2]" 1
1074 1 57 VAL QG 1 87 ASN H 0.000 . 5.000 4.396 4.093 4.618 . 0 0 "[ . 1 . 2]" 1
1075 1 60 PHE HB2 1 88 TYR H 0.000 . 5.000 3.914 3.365 4.717 . 0 0 "[ . 1 . 2]" 1
1076 1 85 THR MG 1 91 ASP H 0.000 . 5.000 4.655 3.771 5.012 0.012 20 0 "[ . 1 . 2]" 1
1077 1 50 ASN QD 1 94 TYR H 0.000 . 5.000 2.877 1.833 4.253 . 0 0 "[ . 1 . 2]" 1
1078 1 84 THR MG 1 94 TYR H 0.000 . 5.000 3.617 3.220 4.259 . 0 0 "[ . 1 . 2]" 1
1079 1 81 TRP HE3 1 95 SER H 0.000 . 5.000 3.712 3.180 4.331 . 0 0 "[ . 1 . 2]" 1
1080 1 83 SER HA 1 95 SER H 0.000 . 5.000 4.014 3.621 4.392 . 0 0 "[ . 1 . 2]" 1
1081 1 84 THR MG 1 95 SER H 0.000 . 5.000 3.342 3.000 3.535 . 0 0 "[ . 1 . 2]" 1
1082 1 46 THR HA 1 96 PHE H 0.000 . 5.000 4.949 4.689 5.009 0.009 16 0 "[ . 1 . 2]" 1
1083 1 46 THR MG 1 96 PHE H 0.000 . 5.000 4.933 4.107 5.004 0.004 13 0 "[ . 1 . 2]" 1
1084 1 80 LEU HB3 1 97 CYS H 0.000 . 5.000 4.585 3.861 5.146 0.146 15 0 "[ . 1 . 2]" 1
1085 1 81 TRP HA 1 97 CYS H 0.000 . 5.000 2.753 2.295 3.081 . 0 0 "[ . 1 . 2]" 1
1086 1 81 TRP HB3 1 97 CYS H 0.000 . 5.000 4.643 4.057 5.004 0.004 20 0 "[ . 1 . 2]" 1
1087 1 44 THR MG 1 98 THR H 0.000 . 5.000 1.944 1.719 2.713 . 0 0 "[ . 1 . 2]" 1
1088 1 46 THR HA 1 98 THR H 0.000 . 5.000 4.390 3.896 4.783 . 0 0 "[ . 1 . 2]" 1
1089 1 46 THR MG 1 98 THR H 0.000 . 5.000 4.852 4.400 5.005 0.005 16 0 "[ . 1 . 2]" 1
1090 1 47 TYR QD 1 98 THR H 0.000 . 5.000 4.552 4.059 5.001 0.001 12 0 "[ . 1 . 2]" 1
1091 1 47 TYR QE 1 98 THR H 0.000 . 5.000 3.897 3.358 4.425 . 0 0 "[ . 1 . 2]" 1
1092 1 44 THR MG 1 99 ASP H 0.000 . 5.000 4.968 4.683 5.013 0.013 19 0 "[ . 1 . 2]" 1
1093 1 47 TYR QE 1 99 ASP H 0.000 . 5.000 3.870 2.924 4.603 . 0 0 "[ . 1 . 2]" 1
1094 1 80 LEU QD 1 99 ASP H 0.000 . 5.000 4.061 3.380 4.872 . 0 0 "[ . 1 . 2]" 1
1095 1 80 LEU QD 1 100 HIS H 0.000 . 5.000 3.035 2.117 3.899 . 0 0 "[ . 1 . 2]" 1
1096 1 80 LEU QD 1 101 THR H 0.000 . 5.000 4.481 3.439 4.937 . 0 0 "[ . 1 . 2]" 1
1097 1 109 GLY H 1 156 PHE QD 0.000 . 5.000 4.497 4.034 5.003 0.003 16 0 "[ . 1 . 2]" 1
1098 1 109 GLY H 1 156 PHE QE 0.000 . 5.000 3.494 2.553 4.088 . 0 0 "[ . 1 . 2]" 1
1099 1 110 ASN H 1 154 PHE QD 0.000 . 5.000 4.332 3.755 5.001 0.001 1 0 "[ . 1 . 2]" 1
1100 1 110 ASN H 1 154 PHE QE 0.000 . 5.000 3.952 2.860 4.745 . 0 0 "[ . 1 . 2]" 1
1101 1 110 ASN H 1 155 GLY QA 0.000 . 5.000 4.108 3.705 4.846 . 0 0 "[ . 1 . 2]" 1
1102 1 110 ASN QD 1 154 PHE H 0.000 . 5.000 2.823 1.864 3.808 . 0 0 "[ . 1 . 2]" 1
1103 1 110 ASN QD 1 154 PHE QD 0.000 . 3.500 2.723 1.875 3.423 . 0 0 "[ . 1 . 2]" 1
1104 1 110 ASN QD 1 154 PHE QE 0.000 . 5.000 2.518 1.845 4.194 . 0 0 "[ . 1 . 2]" 1
1105 1 106 THR MG 1 114 ALA H 0.000 . 5.000 4.958 3.425 5.081 0.081 15 0 "[ . 1 . 2]" 1
1106 1 104 VAL HB 1 116 CYS H 0.000 . 5.000 4.082 3.569 5.149 0.149 11 0 "[ . 1 . 2]" 1
1107 1 104 VAL QG 1 116 CYS H 0.000 . 5.000 2.778 2.400 3.317 . 0 0 "[ . 1 . 2]" 1
1108 1 106 THR MG 1 116 CYS H 0.000 . 5.000 3.140 2.218 3.533 . 0 0 "[ . 1 . 2]" 1
1109 1 104 VAL QG 1 117 HIS H 0.000 . 5.000 4.574 3.315 4.767 . 0 0 "[ . 1 . 2]" 1
1110 1 120 PHE H 1 128 THR HA 0.000 . 5.000 2.946 2.423 3.652 . 0 0 "[ . 1 . 2]" 1
1111 1 120 PHE H 1 128 THR MG 0.000 . 5.000 3.800 3.017 4.475 . 0 0 "[ . 1 . 2]" 1
1112 1 121 LEU H 1 147 ASN HA 0.000 . 5.000 2.246 1.869 3.147 . 0 0 "[ . 1 . 2]" 1
1113 1 122 TYR H 1 127 TYR QD 0.000 . 5.000 3.035 2.445 3.804 . 0 0 "[ . 1 . 2]" 1
1114 1 122 TYR H 1 127 TYR QE 0.000 . 5.000 4.716 4.229 5.030 0.030 17 0 "[ . 1 . 2]" 1
1115 1 122 TYR H 1 147 ASN HA 0.000 . 5.000 5.053 5.016 5.096 0.096 5 0 "[ . 1 . 2]" 1
1116 1 121 LEU QD 1 126 ASN H 0.000 . 5.000 2.506 1.901 3.195 . 0 0 "[ . 1 . 2]" 1
1117 1 121 LEU HA 1 127 TYR H 0.000 . 5.000 2.554 1.874 3.464 . 0 0 "[ . 1 . 2]" 1
1118 1 121 LEU QD 1 127 TYR H 0.000 . 5.000 3.297 2.484 4.041 . 0 0 "[ . 1 . 2]" 1
1119 1 118 PHE QD 1 129 ASP H 0.000 . 5.000 3.025 2.470 3.937 . 0 0 "[ . 1 . 2]" 1
1120 1 120 PHE QE 1 130 CYS H 0.000 . 5.000 4.180 3.746 4.723 . 0 0 "[ . 1 . 2]" 1
1121 1 120 PHE HZ 1 131 THR H 0.000 . 5.000 2.463 1.936 3.378 . 0 0 "[ . 1 . 2]" 1
1122 1 135 ARG H 1 141 TRP HE1 0.000 . 5.000 3.890 2.463 5.005 0.005 12 0 "[ . 1 . 2]" 1
1123 1 131 THR MG 1 141 TRP HE1 0.000 . 5.000 3.700 2.098 4.247 . 0 0 "[ . 1 . 2]" 1
1124 1 133 GLU H 1 141 TRP HE1 0.000 . 5.000 3.150 2.404 4.509 . 0 0 "[ . 1 . 2]" 1
1125 1 135 ARG QG 1 141 TRP HE1 0.000 . 5.000 3.188 1.826 4.828 . 0 0 "[ . 1 . 2]" 1
1126 1 106 THR MG 1 142 CYS H 0.000 . 5.000 3.121 2.608 3.914 . 0 0 "[ . 1 . 2]" 1
1127 1 142 CYS H 1 154 PHE QD 0.000 . 5.000 4.377 3.352 4.872 . 0 0 "[ . 1 . 2]" 1
1128 1 142 CYS H 1 156 PHE HA 0.000 . 5.000 3.864 3.378 4.295 . 0 0 "[ . 1 . 2]" 1
1129 1 144 THR H 1 154 PHE HA 0.000 . 5.000 3.009 2.508 3.663 . 0 0 "[ . 1 . 2]" 1
1130 1 117 HIS HB3 1 145 THR H 0.000 . 5.000 3.688 3.077 4.472 . 0 0 "[ . 1 . 2]" 1
1131 1 121 LEU HB3 1 148 TYR H 0.000 . 5.000 3.397 2.184 3.815 . 0 0 "[ . 1 . 2]" 1
1132 1 121 LEU HB3 1 149 ASP H 0.000 . 5.000 4.492 3.023 5.025 0.025 13 0 "[ . 1 . 2]" 1
1133 1 121 LEU QD 1 149 ASP H 0.000 . 5.000 3.808 2.620 4.849 . 0 0 "[ . 1 . 2]" 1
1134 1 148 TYR HA 1 153 LYS H 0.000 . 5.000 3.200 2.347 3.874 . 0 0 "[ . 1 . 2]" 1
1135 1 148 TYR QD 1 153 LYS H 0.000 . 5.000 2.374 1.867 3.222 . 0 0 "[ . 1 . 2]" 1
1136 1 111 SER QB 1 154 PHE H 0.000 . 5.000 4.204 2.730 4.771 . 0 0 "[ . 1 . 2]" 1
1137 1 106 THR HB 1 155 GLY H 0.000 . 5.000 4.253 3.740 5.008 0.008 2 0 "[ . 1 . 2]" 1
1138 1 106 THR MG 1 155 GLY H 0.000 . 5.000 3.712 2.952 4.175 . 0 0 "[ . 1 . 2]" 1
1139 1 141 TRP HE3 1 155 GLY H 0.000 . 5.000 2.917 2.309 3.405 . 0 0 "[ . 1 . 2]" 1
1140 1 144 THR MG 1 155 GLY H 0.000 . 5.000 3.789 2.801 4.826 . 0 0 "[ . 1 . 2]" 1
1141 1 106 THR HA 1 156 PHE H 0.000 . 5.000 4.301 3.983 4.696 . 0 0 "[ . 1 . 2]" 1
1142 1 106 THR HB 1 156 PHE H 0.000 . 5.000 3.068 2.606 3.655 . 0 0 "[ . 1 . 2]" 1
1143 1 106 THR MG 1 156 PHE H 0.000 . 5.000 3.831 3.242 4.545 . 0 0 "[ . 1 . 2]" 1
1144 1 106 THR HB 1 157 CYS H 0.000 . 5.000 4.752 3.554 5.032 0.032 16 0 "[ . 1 . 2]" 1
1145 1 141 TRP HA 1 157 CYS H 0.000 . 5.000 2.760 2.221 3.719 . 0 0 "[ . 1 . 2]" 1
1146 1 121 LEU QD 2 1 NAG HN2 0.000 . 3.500 2.618 1.807 3.467 . 0 0 "[ . 1 . 2]" 1
1147 1 3 HIS HB3 1 13 SER HA 0.000 . 5.000 3.253 1.869 4.570 . 0 0 "[ . 1 . 2]" 1
1148 1 3 HIS HB2 1 13 SER HA 0.000 . 5.000 3.166 2.103 4.795 . 0 0 "[ . 1 . 2]" 1
1149 1 6 THR MG 1 12 TYR QE 0.000 . 2.700 2.188 1.735 2.776 0.076 4 0 "[ . 1 . 2]" 1
1150 1 6 THR MG 1 18 TRP HH2 0.000 . 5.000 4.341 3.235 5.013 0.013 18 0 "[ . 1 . 2]" 1
1151 1 6 THR MG 1 18 TRP HZ2 0.000 . 3.500 3.101 2.224 3.509 0.009 10 0 "[ . 1 . 2]" 1
1152 1 5 VAL HA 1 11 VAL HA 0.000 . 3.500 1.943 1.797 2.494 . 0 0 "[ . 1 . 2]" 1
1153 1 3 HIS HB2 1 11 VAL QG 0.000 . 3.500 2.772 1.707 3.517 0.017 10 0 "[ . 1 . 2]" 1
1154 1 3 HIS HD2 1 11 VAL QG 0.000 . 3.500 1.971 1.665 3.438 . 0 0 "[ . 1 . 2]" 1
1155 1 3 HIS HA 1 11 VAL QG 0.000 . 5.000 4.002 2.936 4.590 . 0 0 "[ . 1 . 2]" 1
1156 1 3 HIS HB3 1 11 VAL QG 0.000 . 3.500 2.857 2.048 3.491 . 0 0 "[ . 1 . 2]" 1
1157 1 4 CYS HB3 1 12 TYR HB2 0.000 . 5.000 4.793 3.282 5.811 0.811 20 2 "[ . 1 - . +]" 1
1158 1 12 TYR QE 1 18 TRP HD1 0.000 . 5.000 3.843 2.974 4.712 . 0 0 "[ . 1 . 2]" 1
1159 1 12 TYR QE 1 18 TRP HZ2 0.000 . 5.000 4.726 3.362 5.024 0.024 9 0 "[ . 1 . 2]" 1
1160 1 3 HIS HA 1 13 SER HA 0.000 . 2.700 2.145 1.858 2.711 0.011 10 0 "[ . 1 . 2]" 1
1161 1 3 HIS HD2 1 13 SER HA 0.000 . 5.000 4.597 2.918 5.033 0.033 17 0 "[ . 1 . 2]" 1
1162 1 2 GLY QA 1 14 VAL QG 0.000 . 3.500 2.901 1.869 3.385 . 0 0 "[ . 1 . 2]" 1
1163 1 3 HIS HA 1 14 VAL QG 0.000 . 3.500 2.855 1.848 3.476 . 0 0 "[ . 1 . 2]" 1
1164 1 14 VAL QG 1 33 GLY HA3 0.000 . 3.500 2.867 1.840 3.408 . 0 0 "[ . 1 . 2]" 1
1165 1 14 VAL QG 1 33 GLY HA2 0.000 . 5.000 3.470 2.467 4.478 . 0 0 "[ . 1 . 2]" 1
1166 1 19 LEU QD 1 26 GLN QB 0.000 . 5.000 2.508 1.568 3.823 . 0 0 "[ . 1 . 2]" 1
1167 1 19 LEU QD 1 28 LEU HA 0.000 . 2.700 2.414 1.855 2.703 0.003 8 0 "[ . 1 . 2]" 1
1168 1 27 MET ME 1 38 CYS HB3 0.000 . 3.500 2.338 1.856 3.094 . 0 0 "[ . 1 . 2]" 1
1169 1 27 MET ME 1 40 GLU HA 0.000 . 2.700 2.525 2.129 2.703 0.003 20 0 "[ . 1 . 2]" 1
1170 1 27 MET ME 1 40 GLU QG 0.000 . 2.700 2.385 1.743 2.701 0.001 15 0 "[ . 1 . 2]" 1
1171 1 19 LEU HA 1 28 LEU HA 0.000 . 3.500 2.374 1.921 2.776 . 0 0 "[ . 1 . 2]" 1
1172 1 19 LEU HA 1 28 LEU QD 0.000 . 5.000 2.996 2.383 3.408 . 0 0 "[ . 1 . 2]" 1
1173 1 29 CYS HA 1 38 CYS HA 0.000 . 2.700 1.903 1.858 2.337 . 0 0 "[ . 1 . 2]" 1
1174 1 29 CYS HB3 1 38 CYS HA 0.000 . 5.000 4.009 2.337 4.471 . 0 0 "[ . 1 . 2]" 1
1175 1 17 GLN HA 1 30 THR HA 0.000 . 3.500 1.868 1.838 1.921 . 0 0 "[ . 1 . 2]" 1
1176 1 18 TRP HE3 1 30 THR HA 0.000 . 2.700 2.723 2.702 2.770 0.070 20 0 "[ . 1 . 2]" 1
1177 1 17 GLN HA 1 30 THR MG 0.000 . 5.000 2.329 1.853 2.600 . 0 0 "[ . 1 . 2]" 1
1178 1 17 GLN HG3 1 30 THR MG 0.000 . 3.500 2.393 1.857 3.476 . 0 0 "[ . 1 . 2]" 1
1179 1 17 GLN HG2 1 30 THR MG 0.000 . 3.500 2.194 1.838 3.175 . 0 0 "[ . 1 . 2]" 1
1180 1 14 VAL HA 1 31 CYS HB3 0.000 . 3.500 2.371 1.857 3.109 . 0 0 "[ . 1 . 2]" 1
1181 1 14 VAL HA 1 31 CYS HB2 0.000 . 5.000 3.721 2.473 4.511 . 0 0 "[ . 1 . 2]" 1
1182 1 31 CYS HA 1 36 VAL HA 0.000 . 2.700 2.294 2.038 2.569 . 0 0 "[ . 1 . 2]" 1
1183 1 18 TRP HH2 1 36 VAL HB 0.000 . 5.000 3.451 1.865 4.233 . 0 0 "[ . 1 . 2]" 1
1184 1 31 CYS HA 1 36 VAL HB 0.000 . 5.000 4.398 2.071 5.014 0.014 6 0 "[ . 1 . 2]" 1
1185 1 18 TRP HH2 1 36 VAL QG 0.000 . 3.500 1.728 1.590 2.098 . 0 0 "[ . 1 . 2]" 1
1186 1 18 TRP HZ2 1 36 VAL QG 0.000 . 2.700 2.188 1.776 2.421 . 0 0 "[ . 1 . 2]" 1
1187 1 4 CYS HA 1 36 VAL QG 0.000 . 5.000 4.028 3.505 4.859 . 0 0 "[ . 1 . 2]" 1
1188 1 4 CYS HB3 1 36 VAL QG 0.000 . 3.500 2.309 1.770 3.405 . 0 0 "[ . 1 . 2]" 1
1189 1 31 CYS HA 1 36 VAL QG 0.000 . 5.000 2.681 2.405 3.329 . 0 0 "[ . 1 . 2]" 1
1190 1 29 CYS HA 1 38 CYS HB2 0.000 . 5.000 4.253 3.285 5.147 0.147 2 0 "[ . 1 . 2]" 1
1191 1 27 MET HA 1 40 GLU HA 0.000 . 2.700 2.657 2.460 2.706 0.006 19 0 "[ . 1 . 2]" 1
1192 1 44 THR MG 1 97 CYS HA 0.000 . 5.000 3.392 2.842 4.085 . 0 0 "[ . 1 . 2]" 1
1193 1 44 THR MG 1 97 CYS QB 0.000 . 3.500 1.962 1.627 3.187 . 0 0 "[ . 1 . 2]" 1
1194 1 45 GLN QB 1 98 THR MG 0.000 . 3.500 2.056 1.581 3.180 . 0 0 "[ . 1 . 2]" 1
1195 1 46 THR HB 1 55 PRO HA 0.000 . 5.000 4.435 3.809 5.000 0.000 12 0 "[ . 1 . 2]" 1
1196 1 46 THR HB 1 97 CYS HA 0.000 . 5.000 4.661 3.999 5.001 0.001 17 0 "[ . 1 . 2]" 1
1197 1 46 THR MG 1 55 PRO HA 0.000 . 2.700 2.698 2.626 2.705 0.005 13 0 "[ . 1 . 2]" 1
1198 1 46 THR MG 1 97 CYS HA 0.000 . 3.500 3.321 2.859 3.504 0.004 19 0 "[ . 1 . 2]" 1
1199 1 47 TYR QE 1 79 HIS HE1 0.000 . 5.000 4.375 2.653 5.001 0.001 11 0 "[ . 1 . 2]" 1
1200 1 47 TYR QE 1 96 PHE QD 0.000 . 3.500 2.554 2.110 3.151 . 0 0 "[ . 1 . 2]" 1
1201 1 48 GLY QA 1 96 PHE QD 0.000 . 5.000 2.444 1.972 3.052 . 0 0 "[ . 1 . 2]" 1
1202 1 49 GLY HA2 1 94 TYR QD 0.000 . 3.500 2.821 2.607 3.025 . 0 0 "[ . 1 . 2]" 1
1203 1 49 GLY HA2 1 94 TYR QE 0.000 . 3.500 2.715 2.137 3.374 . 0 0 "[ . 1 . 2]" 1
1204 1 49 GLY HA2 1 95 SER HA 0.000 . 3.500 2.335 1.872 3.051 . 0 0 "[ . 1 . 2]" 1
1205 1 49 GLY HA3 1 94 TYR QD 0.000 . 5.000 3.432 2.323 4.142 . 0 0 "[ . 1 . 2]" 1
1206 1 49 GLY HA3 1 94 TYR QE 0.000 . 3.500 1.961 1.869 2.377 . 0 0 "[ . 1 . 2]" 1
1207 1 47 TYR HA 1 53 GLY HA3 0.000 . 5.000 2.618 1.874 3.810 . 0 0 "[ . 1 . 2]" 1
1208 1 47 TYR HA 1 53 GLY HA2 0.000 . 5.000 2.761 1.873 5.008 0.008 19 0 "[ . 1 . 2]" 1
1209 1 54 GLU HB2 1 84 THR HB 0.000 . 5.000 4.743 4.031 5.113 0.113 2 0 "[ . 1 . 2]" 1
1210 1 57 VAL QG 1 85 THR HA 0.000 . 2.700 1.819 1.746 1.834 . 0 0 "[ . 1 . 2]" 1
1211 1 57 VAL QG 1 86 SER HA 0.000 . 2.700 2.685 2.641 2.694 . 0 0 "[ . 1 . 2]" 1
1212 1 57 VAL QG 1 86 SER QB 0.000 . 2.700 2.520 2.310 2.607 . 0 0 "[ . 1 . 2]" 1
1213 1 57 VAL QG 1 84 THR HA 0.000 . 3.500 1.952 1.847 2.203 . 0 0 "[ . 1 . 2]" 1
1214 1 57 VAL QG 1 84 THR MG 0.000 . 3.500 3.405 3.233 3.514 0.014 12 0 "[ . 1 . 2]" 1
1215 1 57 VAL QG 1 85 THR MG 0.000 . 2.700 2.663 2.650 2.720 0.020 12 0 "[ . 1 . 2]" 1
1216 1 58 LEU QD 1 68 TYR HA 0.000 . 5.000 2.783 1.846 3.814 . 0 0 "[ . 1 . 2]" 1
1217 1 58 LEU QD 1 82 CYS HA 0.000 . 5.000 3.663 2.571 4.423 . 0 0 "[ . 1 . 2]" 1
1218 1 58 LEU QD 1 82 CYS HB3 0.000 . 5.000 3.576 2.188 4.962 . 0 0 "[ . 1 . 2]" 1
1219 1 59 PRO HB3 1 68 TYR QD 0.000 . 5.000 3.148 1.932 3.605 . 0 0 "[ . 1 . 2]" 1
1220 1 59 PRO HB3 1 68 TYR QE 0.000 . 5.000 3.361 2.768 3.680 . 0 0 "[ . 1 . 2]" 1
1221 1 59 PRO HB2 1 68 TYR QD 0.000 . 5.000 4.523 3.465 5.001 0.001 7 0 "[ . 1 . 2]" 1
1222 1 59 PRO HB2 1 68 TYR QE 0.000 . 5.000 4.186 3.373 4.554 . 0 0 "[ . 1 . 2]" 1
1223 1 59 PRO HD2 1 68 TYR QE 0.000 . 5.000 5.075 4.608 5.622 0.622 13 2 "[ .- 1 + . 2]" 1
1224 1 59 PRO HG3 1 68 TYR QD 0.000 . 3.500 2.598 1.875 3.437 . 0 0 "[ . 1 . 2]" 1
1225 1 59 PRO HG3 1 68 TYR QE 0.000 . 5.000 2.776 2.186 3.423 . 0 0 "[ . 1 . 2]" 1
1226 1 59 PRO HG2 1 68 TYR QD 0.000 . 5.000 3.971 3.111 4.656 . 0 0 "[ . 1 . 2]" 1
1227 1 59 PRO HG2 1 68 TYR QE 0.000 . 5.000 3.102 2.605 3.857 . 0 0 "[ . 1 . 2]" 1
1228 1 60 PHE HZ 1 67 PHE QD 0.000 . 5.000 4.000 3.299 4.439 . 0 0 "[ . 1 . 2]" 1
1229 1 61 THR HA 1 67 PHE QD 0.000 . 5.000 2.373 2.076 2.575 . 0 0 "[ . 1 . 2]" 1
1230 1 61 THR HA 1 67 PHE QE 0.000 . 3.500 3.451 3.302 3.548 0.048 15 0 "[ . 1 . 2]" 1
1231 1 61 THR HB 1 66 THR HA 0.000 . 3.500 3.507 3.396 3.561 0.061 8 0 "[ . 1 . 2]" 1
1232 1 61 THR MG 1 66 THR HA 0.000 . 2.700 1.772 1.740 1.967 . 0 0 "[ . 1 . 2]" 1
1233 1 61 THR MG 1 66 THR HB 0.000 . 3.500 3.328 3.195 3.525 0.025 8 0 "[ . 1 . 2]" 1
1234 1 62 TYR HA 1 67 PHE QE 0.000 . 3.500 3.537 3.504 3.617 0.117 19 0 "[ . 1 . 2]" 1
1235 1 62 TYR HA 1 88 TYR QD 0.000 . 5.000 3.371 2.818 3.983 . 0 0 "[ . 1 . 2]" 1
1236 1 62 TYR HA 1 88 TYR QE 0.000 . 3.500 3.512 3.501 3.560 0.060 20 0 "[ . 1 . 2]" 1
1237 1 62 TYR HB3 1 67 PHE QE 0.000 . 3.500 1.916 1.841 2.161 . 0 0 "[ . 1 . 2]" 1
1238 1 62 TYR HB3 1 81 TRP HH2 0.000 . 5.000 3.239 2.868 3.810 . 0 0 "[ . 1 . 2]" 1
1239 1 62 TYR HB3 1 81 TRP HZ2 0.000 . 5.000 4.009 3.434 4.599 . 0 0 "[ . 1 . 2]" 1
1240 1 62 TYR HB2 1 67 PHE QE 0.000 . 3.500 3.399 3.317 3.509 0.009 7 0 "[ . 1 . 2]" 1
1241 1 62 TYR HB2 1 81 TRP HH2 0.000 . 5.000 2.628 2.381 3.036 . 0 0 "[ . 1 . 2]" 1
1242 1 62 TYR HB2 1 81 TRP HZ2 0.000 . 5.000 4.363 3.415 5.003 0.003 16 0 "[ . 1 . 2]" 1
1243 1 61 THR HA 1 66 THR HA 0.000 . 2.700 1.931 1.832 1.993 . 0 0 "[ . 1 . 2]" 1
1244 1 61 THR HA 1 66 THR HB 0.000 . 5.000 4.949 4.844 5.013 0.013 1 0 "[ . 1 . 2]" 1
1245 1 59 PRO HB3 1 66 THR MG 0.000 . 2.700 2.680 2.477 3.086 0.386 20 0 "[ . 1 . 2]" 1
1246 1 59 PRO HB2 1 66 THR MG 0.000 . 3.500 2.777 2.701 3.029 . 0 0 "[ . 1 . 2]" 1
1247 1 61 THR HA 1 66 THR MG 0.000 . 3.500 3.485 3.360 3.518 0.018 8 0 "[ . 1 . 2]" 1
1248 1 60 PHE HZ 1 70 CYS HA 0.000 . 5.000 3.813 3.300 4.384 . 0 0 "[ . 1 . 2]" 1
1249 1 60 PHE HZ 1 71 THR HB 0.000 . 5.000 3.582 2.377 4.517 . 0 0 "[ . 1 . 2]" 1
1250 1 60 PHE QE 1 71 THR MG 0.000 . 5.000 3.005 2.232 3.554 . 0 0 "[ . 1 . 2]" 1
1251 1 60 PHE HZ 1 71 THR MG 0.000 . 2.700 2.109 1.724 2.647 . 0 0 "[ . 1 . 2]" 1
1252 1 71 THR MG 1 81 TRP HD1 0.000 . 5.000 3.675 3.167 4.313 . 0 0 "[ . 1 . 2]" 1
1253 1 71 THR MG 1 81 TRP HH2 0.000 . 5.000 4.255 3.777 4.730 . 0 0 "[ . 1 . 2]" 1
1254 1 71 THR MG 1 81 TRP HZ2 0.000 . 3.500 3.187 2.737 3.502 0.002 8 0 "[ . 1 . 2]" 1
1255 1 71 THR MG 1 82 CYS HA 0.000 . 5.000 3.879 3.434 4.631 . 0 0 "[ . 1 . 2]" 1
1256 1 72 THR HA 1 81 TRP HD1 0.000 . 2.700 2.603 2.216 2.704 0.004 12 0 "[ . 1 . 2]" 1
1257 1 72 THR HB 1 81 TRP HD1 0.000 . 5.000 4.902 4.175 5.052 0.052 16 0 "[ . 1 . 2]" 1
1258 1 72 THR MG 1 78 GLY HA3 0.000 . 5.000 3.879 2.923 5.109 0.109 17 0 "[ . 1 . 2]" 1
1259 1 72 THR MG 1 78 GLY HA2 0.000 . 5.000 4.867 4.072 5.088 0.088 16 0 "[ . 1 . 2]" 1
1260 1 72 THR MG 1 80 LEU HA 0.000 . 3.500 2.191 1.824 3.082 . 0 0 "[ . 1 . 2]" 1
1261 1 72 THR MG 1 80 LEU HG 0.000 . 2.700 1.717 1.705 1.744 . 0 0 "[ . 1 . 2]" 1
1262 1 62 TYR QD 1 73 GLU QB 0.000 . 5.000 2.921 2.344 3.530 . 0 0 "[ . 1 . 2]" 1
1263 1 62 TYR QE 1 73 GLU QB 0.000 . 3.500 2.338 1.775 3.265 . 0 0 "[ . 1 . 2]" 1
1264 1 67 PHE QE 1 73 GLU QB 0.000 . 5.000 2.920 2.245 3.586 . 0 0 "[ . 1 . 2]" 1
1265 1 67 PHE HZ 1 73 GLU QB 0.000 . 3.500 3.273 2.771 3.515 0.015 20 0 "[ . 1 . 2]" 1
1266 1 62 TYR QD 1 73 GLU QG 0.000 . 5.000 3.705 2.629 4.785 . 0 0 "[ . 1 . 2]" 1
1267 1 62 TYR QE 1 73 GLU QG 0.000 . 3.500 3.481 3.092 3.511 0.011 17 0 "[ . 1 . 2]" 1
1268 1 67 PHE QE 1 73 GLU QG 0.000 . 3.500 2.821 1.974 3.518 0.018 19 0 "[ . 1 . 2]" 1
1269 1 62 TYR QE 1 74 GLY HA3 0.000 . 5.000 4.486 3.413 5.019 0.019 17 0 "[ . 1 . 2]" 1
1270 1 62 TYR QE 1 74 GLY HA2 0.000 . 5.000 3.908 3.084 4.508 . 0 0 "[ . 1 . 2]" 1
1271 1 75 ARG HA 1 81 TRP HD1 0.000 . 5.000 4.833 3.701 5.055 0.055 17 0 "[ . 1 . 2]" 1
1272 1 75 ARG HB3 1 81 TRP HD1 0.000 . 5.000 3.973 1.975 4.897 . 0 0 "[ . 1 . 2]" 1
1273 1 75 ARG HB2 1 81 TRP HD1 0.000 . 5.000 2.863 2.261 3.714 . 0 0 "[ . 1 . 2]" 1
1274 1 75 ARG HD2 1 81 TRP HD1 0.000 . 5.000 4.377 3.019 5.011 0.011 16 0 "[ . 1 . 2]" 1
1275 1 75 ARG HG3 1 81 TRP HD1 0.000 . 5.000 2.566 1.875 4.601 . 0 0 "[ . 1 . 2]" 1
1276 1 72 THR HA 1 80 LEU HA 0.000 . 3.500 2.585 2.165 3.021 . 0 0 "[ . 1 . 2]" 1
1277 1 80 LEU HB2 1 97 CYS QB 0.000 . 5.000 2.876 2.097 3.435 . 0 0 "[ . 1 . 2]" 1
1278 1 70 CYS HB3 1 80 LEU QD 0.000 . 5.000 2.706 2.208 3.739 . 0 0 "[ . 1 . 2]" 1
1279 1 72 THR MG 1 80 LEU QD 0.000 . 2.700 2.335 1.761 2.535 . 0 0 "[ . 1 . 2]" 1
1280 1 80 LEU QD 1 97 CYS QB 0.000 . 3.500 3.325 3.019 3.436 . 0 0 "[ . 1 . 2]" 1
1281 1 72 THR HA 1 80 LEU QD 0.000 . 5.000 3.940 2.813 4.375 . 0 0 "[ . 1 . 2]" 1
1282 1 81 TRP HA 1 94 TYR QD 0.000 . 5.000 4.998 4.922 5.005 0.005 17 0 "[ . 1 . 2]" 1
1283 1 81 TRP HA 1 96 PHE QD 0.000 . 3.500 3.282 2.861 3.502 0.002 8 0 "[ . 1 . 2]" 1
1284 1 81 TRP HB3 1 96 PHE HA 0.000 . 5.000 3.249 2.683 3.845 . 0 0 "[ . 1 . 2]" 1
1285 1 81 TRP HB2 1 94 TYR QD 0.000 . 5.000 3.636 3.267 4.103 . 0 0 "[ . 1 . 2]" 1
1286 1 81 TRP HB2 1 96 PHE HA 0.000 . 5.000 3.688 3.097 4.108 . 0 0 "[ . 1 . 2]" 1
1287 1 81 TRP HB2 1 96 PHE QD 0.000 . 3.500 3.078 2.758 3.463 . 0 0 "[ . 1 . 2]" 1
1288 1 62 TYR QD 1 81 TRP HH2 0.000 . 5.000 2.423 1.873 2.807 . 0 0 "[ . 1 . 2]" 1
1289 1 62 TYR QE 1 81 TRP HH2 0.000 . 3.500 3.472 3.195 3.518 0.018 20 0 "[ . 1 . 2]" 1
1290 1 81 TRP HH2 1 88 TYR QD 0.000 . 5.000 4.472 3.723 5.002 0.002 5 0 "[ . 1 . 2]" 1
1291 1 81 TRP HH2 1 88 TYR QE 0.000 . 5.000 3.351 1.873 4.067 . 0 0 "[ . 1 . 2]" 1
1292 1 62 TYR QD 1 81 TRP HZ2 0.000 . 3.500 3.054 2.583 3.501 0.001 4 0 "[ . 1 . 2]" 1
1293 1 62 TYR QE 1 81 TRP HZ2 0.000 . 3.500 2.952 2.218 3.506 0.006 8 0 "[ . 1 . 2]" 1
1294 1 60 PHE HZ 1 82 CYS HA 0.000 . 3.500 3.007 2.036 3.500 0.000 17 0 "[ . 1 . 2]" 1
1295 1 70 CYS HA 1 82 CYS HA 0.000 . 5.000 3.145 2.570 3.599 . 0 0 "[ . 1 . 2]" 1
1296 1 70 CYS HA 1 82 CYS HB2 0.000 . 5.000 3.290 1.872 4.076 . 0 0 "[ . 1 . 2]" 1
1297 1 83 SER HA 1 94 TYR HA 0.000 . 2.700 2.155 1.871 2.569 . 0 0 "[ . 1 . 2]" 1
1298 1 56 CYS HA 1 84 THR HA 0.000 . 3.500 2.040 1.873 2.332 . 0 0 "[ . 1 . 2]" 1
1299 1 46 THR HB 1 84 THR MG 0.000 . 5.000 4.309 3.896 4.738 . 0 0 "[ . 1 . 2]" 1
1300 1 54 GLU HB3 1 84 THR MG 0.000 . 3.500 3.284 2.818 3.527 0.027 1 0 "[ . 1 . 2]" 1
1301 1 84 THR MG 1 94 TYR HA 0.000 . 2.700 2.691 2.445 2.720 0.020 20 0 "[ . 1 . 2]" 1
1302 1 85 THR MG 1 91 ASP HB3 0.000 . 3.500 2.909 1.925 3.501 0.001 16 0 "[ . 1 . 2]" 1
1303 1 85 THR MG 1 91 ASP HB2 0.000 . 3.500 2.931 1.929 3.469 . 0 0 "[ . 1 . 2]" 1
1304 1 85 THR MG 1 93 LYS QB 0.000 . 2.700 2.525 2.081 2.706 0.006 12 0 "[ . 1 . 2]" 1
1305 1 85 THR MG 1 93 LYS QE 0.000 . 3.500 3.205 2.029 3.502 0.002 18 0 "[ . 1 . 2]" 1
1306 1 60 PHE HA 1 86 SER HA 0.000 . 5.000 4.665 4.243 5.001 0.001 17 0 "[ . 1 . 2]" 1
1307 1 62 TYR QD 1 88 TYR QE 0.000 . 3.500 1.871 1.826 1.952 . 0 0 "[ . 1 . 2]" 1
1308 1 62 TYR QE 1 88 TYR QE 0.000 . 3.500 3.501 3.263 3.579 0.079 20 0 "[ . 1 . 2]" 1
1309 1 81 TRP HE3 1 88 TYR QE 0.000 . 5.000 4.143 3.445 4.714 . 0 0 "[ . 1 . 2]" 1
1310 1 88 TYR QE 1 94 TYR QD 0.000 . 2.700 2.396 1.873 2.703 0.003 15 0 "[ . 1 . 2]" 1
1311 1 88 TYR QD 1 94 TYR HA 0.000 . 5.000 4.590 4.035 5.020 0.020 12 0 "[ . 1 . 2]" 1
1312 1 88 TYR QE 1 94 TYR HA 0.000 . 5.000 4.789 3.940 5.018 0.018 20 0 "[ . 1 . 2]" 1
1313 1 88 TYR QE 1 94 TYR HB2 0.000 . 5.000 4.242 3.507 4.604 . 0 0 "[ . 1 . 2]" 1
1314 1 88 TYR QE 1 94 TYR HB3 0.000 . 3.500 2.694 1.912 2.999 . 0 0 "[ . 1 . 2]" 1
1315 1 88 TYR QD 1 94 TYR QD 0.000 . 5.000 4.296 3.485 4.728 . 0 0 "[ . 1 . 2]" 1
1316 1 46 THR HA 1 95 SER HB3 0.000 . 5.000 3.895 3.178 5.001 0.001 16 0 "[ . 1 . 2]" 1
1317 1 46 THR HB 1 95 SER HB3 0.000 . 3.500 2.399 1.872 3.498 . 0 0 "[ . 1 . 2]" 1
1318 1 46 THR HA 1 95 SER HB2 0.000 . 5.000 4.530 3.479 5.001 0.001 16 0 "[ . 1 . 2]" 1
1319 1 81 TRP HA 1 96 PHE HA 0.000 . 2.700 2.064 1.866 2.405 . 0 0 "[ . 1 . 2]" 1
1320 1 47 TYR QD 1 96 PHE HB3 0.000 . 5.000 4.431 3.883 5.001 0.001 16 0 "[ . 1 . 2]" 1
1321 1 47 TYR QE 1 96 PHE HB3 0.000 . 5.000 3.236 2.583 4.082 . 0 0 "[ . 1 . 2]" 1
1322 1 47 TYR QE 1 96 PHE HB2 0.000 . 5.000 2.508 1.951 3.060 . 0 0 "[ . 1 . 2]" 1
1323 1 46 THR HA 1 97 CYS HA 0.000 . 2.700 2.293 1.873 2.701 0.001 20 0 "[ . 1 . 2]" 1
1324 1 46 THR HA 1 97 CYS QB 0.000 . 5.000 3.822 3.118 4.716 . 0 0 "[ . 1 . 2]" 1
1325 1 47 TYR QD 1 98 THR HA 0.000 . 5.000 4.118 3.527 4.651 . 0 0 "[ . 1 . 2]" 1
1326 1 47 TYR QE 1 98 THR HA 0.000 . 2.700 2.188 1.874 2.702 0.002 19 0 "[ . 1 . 2]" 1
1327 1 47 TYR QE 1 98 THR HB 0.000 . 5.000 3.738 2.699 4.700 . 0 0 "[ . 1 . 2]" 1
1328 1 45 GLN HG3 1 98 THR MG 0.000 . 5.000 3.968 2.521 5.001 0.001 19 0 "[ . 1 . 2]" 1
1329 1 45 GLN HG2 1 98 THR MG 0.000 . 5.000 4.000 2.820 5.000 0.000 15 0 "[ . 1 . 2]" 1
1330 1 46 THR HA 1 98 THR MG 0.000 . 5.000 4.400 3.660 5.001 0.001 7 0 "[ . 1 . 2]" 1
1331 1 47 TYR QD 1 98 THR MG 0.000 . 2.700 2.504 1.859 2.710 0.010 16 0 "[ . 1 . 2]" 1
1332 1 47 TYR QE 1 98 THR MG 0.000 . 2.700 2.474 1.782 2.701 0.001 2 0 "[ . 1 . 2]" 1
1333 1 104 VAL HB 1 118 PHE HZ 0.000 . 5.000 4.857 4.454 5.090 0.090 10 0 "[ . 1 . 2]" 1
1334 1 104 VAL QG 1 118 PHE QD 0.000 . 5.000 2.004 1.787 3.155 . 0 0 "[ . 1 . 2]" 1
1335 1 104 VAL QG 1 118 PHE QE 0.000 . 3.500 1.675 1.587 2.095 . 0 0 "[ . 1 . 2]" 1
1336 1 104 VAL QG 1 118 PHE HZ 0.000 . 3.500 2.979 1.991 3.249 . 0 0 "[ . 1 . 2]" 1
1337 1 104 VAL QG 1 158 PRO HD3 0.000 . 2.700 2.980 2.672 3.486 0.786 10 6 "[ *.* + * . * -]" 1
1338 1 104 VAL QG 1 158 PRO HD2 0.000 . 3.500 2.901 2.430 3.345 . 0 0 "[ . 1 . 2]" 1
1339 1 105 GLN HA 1 115 LEU HA 0.000 . 2.700 2.353 1.861 2.711 0.011 10 0 "[ . 1 . 2]" 1
1340 1 106 THR MG 1 118 PHE QE 0.000 . 3.500 3.552 3.508 3.594 0.094 2 0 "[ . 1 . 2]" 1
1341 1 106 THR MG 1 155 GLY QA 0.000 . 3.500 2.841 2.020 3.416 . 0 0 "[ . 1 . 2]" 1
1342 1 106 THR MG 1 157 CYS HA 0.000 . 5.000 2.434 1.918 4.227 . 0 0 "[ . 1 . 2]" 1
1343 1 108 GLY HA2 1 156 PHE QD 0.000 . 5.000 2.574 1.874 3.958 . 0 0 "[ . 1 . 2]" 1
1344 1 109 GLY HA2 1 154 PHE QE 0.000 . 5.000 3.480 2.478 5.002 0.002 18 0 "[ . 1 . 2]" 1
1345 1 116 CYS HA 1 144 THR HA 0.000 . 2.700 1.920 1.863 2.097 . 0 0 "[ . 1 . 2]" 1
1346 1 121 LEU HA 1 126 ASN HA 0.000 . 2.700 2.317 1.855 2.741 0.041 20 0 "[ . 1 . 2]" 1
1347 1 121 LEU QD 2 1 NAG H1 0.000 . 5.000 3.159 1.798 4.675 . 0 0 "[ . 1 . 2]" 1
1348 1 122 TYR HA 1 148 TYR QD 0.000 . 3.500 2.719 2.012 3.501 0.001 7 0 "[ . 1 . 2]" 1
1349 1 122 TYR HB3 1 127 TYR QE 0.000 . 5.000 2.983 2.339 3.465 . 0 0 "[ . 1 . 2]" 1
1350 1 122 TYR HB2 1 127 TYR QE 0.000 . 5.000 4.341 3.825 4.865 . 0 0 "[ . 1 . 2]" 1
1351 1 122 TYR QD 1 148 TYR QD 0.000 . 2.700 1.879 1.829 2.104 . 0 0 "[ . 1 . 2]" 1
1352 1 122 TYR QE 1 148 TYR QD 0.000 . 3.500 3.520 3.492 3.556 0.056 15 0 "[ . 1 . 2]" 1
1353 1 120 PHE HZ 1 127 TYR HB3 0.000 . 5.000 3.097 2.553 3.982 . 0 0 "[ . 1 . 2]" 1
1354 1 120 PHE HZ 1 127 TYR HB2 0.000 . 5.000 3.845 3.269 4.489 . 0 0 "[ . 1 . 2]" 1
1355 1 118 PHE HA 1 128 THR HA 0.000 . 5.000 3.974 3.502 5.028 0.028 15 0 "[ . 1 . 2]" 1
1356 1 118 PHE QD 1 128 THR HA 0.000 . 2.700 2.112 1.864 2.563 . 0 0 "[ . 1 . 2]" 1
1357 1 118 PHE QE 1 128 THR HA 0.000 . 3.500 3.544 3.508 3.583 0.083 15 0 "[ . 1 . 2]" 1
1358 1 119 PRO HA 1 128 THR HA 0.000 . 3.500 2.350 2.022 2.868 . 0 0 "[ . 1 . 2]" 1
1359 1 118 PHE HA 1 128 THR MG 0.000 . 5.000 4.194 3.423 5.010 0.010 20 0 "[ . 1 . 2]" 1
1360 1 118 PHE QD 1 128 THR MG 0.000 . 5.000 3.151 1.972 4.414 . 0 0 "[ . 1 . 2]" 1
1361 1 119 PRO HA 1 128 THR MG 0.000 . 3.500 2.559 1.846 3.316 . 0 0 "[ . 1 . 2]" 1
1362 1 119 PRO QB 1 128 THR MG 0.000 . 3.500 1.966 1.615 3.242 . 0 0 "[ . 1 . 2]" 1
1363 1 119 PRO HD2 1 128 THR MG 0.000 . 5.000 4.348 3.287 4.862 . 0 0 "[ . 1 . 2]" 1
1364 1 119 PRO HG3 1 128 THR MG 0.000 . 3.500 2.214 1.717 2.955 . 0 0 "[ . 1 . 2]" 1
1365 1 119 PRO HG2 1 128 THR MG 0.000 . 3.500 3.332 2.967 3.520 0.020 8 0 "[ . 1 . 2]" 1
1366 1 118 PHE QD 1 129 ASP HA 0.000 . 5.000 3.577 3.314 4.694 . 0 0 "[ . 1 . 2]" 1
1367 1 118 PHE QE 1 129 ASP HA 0.000 . 3.500 2.302 2.061 3.299 . 0 0 "[ . 1 . 2]" 1
1368 1 118 PHE HZ 1 129 ASP HA 0.000 . 3.500 3.515 2.763 3.617 0.117 7 0 "[ . 1 . 2]" 1
1369 1 118 PHE QE 1 130 CYS HA 0.000 . 3.500 3.547 3.517 3.580 0.080 7 0 "[ . 1 . 2]" 1
1370 1 118 PHE HZ 1 130 CYS HA 0.000 . 5.000 2.881 2.504 4.967 . 0 0 "[ . 1 . 2]" 1
1371 1 120 PHE QD 1 131 THR MG 0.000 . 5.000 4.393 3.964 4.728 . 0 0 "[ . 1 . 2]" 1
1372 1 120 PHE QE 1 131 THR MG 0.000 . 5.000 2.525 1.935 2.913 . 0 0 "[ . 1 . 2]" 1
1373 1 120 PHE HZ 1 131 THR MG 0.000 . 2.700 1.926 1.723 2.253 . 0 0 "[ . 1 . 2]" 1
1374 1 122 TYR QE 1 131 THR MG 0.000 . 5.000 3.545 2.601 4.563 . 0 0 "[ . 1 . 2]" 1
1375 1 131 THR MG 1 141 TRP HD1 0.000 . 5.000 4.662 3.563 5.021 0.021 15 0 "[ . 1 . 2]" 1
1376 1 131 THR MG 1 141 TRP HZ2 0.000 . 3.500 2.917 2.183 3.502 0.002 15 0 "[ . 1 . 2]" 1
1377 1 122 TYR QD 1 133 GLU QB 0.000 . 5.000 3.725 2.673 4.506 . 0 0 "[ . 1 . 2]" 1
1378 1 122 TYR QE 1 133 GLU QB 0.000 . 3.500 2.382 1.778 3.399 . 0 0 "[ . 1 . 2]" 1
1379 1 122 TYR QE 1 133 GLU QG 0.000 . 5.000 3.073 1.862 4.740 . 0 0 "[ . 1 . 2]" 1
1380 1 135 ARG HB3 1 141 TRP HD1 0.000 . 5.000 4.302 2.902 5.001 0.001 20 0 "[ . 1 . 2]" 1
1381 1 135 ARG HB2 1 141 TRP HD1 0.000 . 5.000 3.491 2.130 4.842 . 0 0 "[ . 1 . 2]" 1
1382 1 135 ARG HD3 1 141 TRP HD1 0.000 . 3.500 2.600 1.858 3.502 0.002 8 0 "[ . 1 . 2]" 1
1383 1 135 ARG HD2 1 141 TRP HD1 0.000 . 3.500 3.301 2.312 3.520 0.020 6 0 "[ . 1 . 2]" 1
1384 1 135 ARG QG 1 141 TRP HD1 0.000 . 5.000 2.717 1.775 4.028 . 0 0 "[ . 1 . 2]" 1
1385 1 139 MET HA 1 156 PHE QD 0.000 . 5.000 4.652 3.488 5.002 0.002 5 0 "[ . 1 . 2]" 1
1386 1 139 MET HB3 1 156 PHE QE 0.000 . 5.000 3.612 2.219 5.002 0.002 8 0 "[ . 1 . 2]" 1
1387 1 139 MET HB2 1 156 PHE QE 0.000 . 5.000 4.588 3.577 5.015 0.015 16 0 "[ . 1 . 2]" 1
1388 1 139 MET ME 1 156 PHE QD 0.000 . 5.000 3.647 2.341 4.976 . 0 0 "[ . 1 . 2]" 1
1389 1 139 MET ME 1 156 PHE QE 0.000 . 5.000 3.321 1.834 4.523 . 0 0 "[ . 1 . 2]" 1
1390 1 139 MET ME 1 156 PHE HZ 0.000 . 5.000 3.862 1.848 5.000 . 0 0 "[ . 1 . 2]" 1
1391 1 139 MET HG2 1 156 PHE QE 0.000 . 5.000 3.596 1.887 4.994 . 0 0 "[ . 1 . 2]" 1
1392 1 132 SER HA 1 140 LYS HA 0.000 . 3.500 3.289 2.491 3.503 0.003 14 0 "[ . 1 . 2]" 1
1393 1 141 TRP HA 1 154 PHE QD 0.000 . 5.000 4.795 3.786 5.011 0.011 7 0 "[ . 1 . 2]" 1
1394 1 141 TRP HA 1 156 PHE QD 0.000 . 5.000 3.469 2.245 5.002 0.002 20 0 "[ . 1 . 2]" 1
1395 1 141 TRP HB3 1 154 PHE QD 0.000 . 5.000 3.624 2.834 4.404 . 0 0 "[ . 1 . 2]" 1
1396 1 141 TRP HB3 1 156 PHE QD 0.000 . 5.000 2.570 1.874 4.170 . 0 0 "[ . 1 . 2]" 1
1397 1 141 TRP HB2 1 156 PHE QD 0.000 . 5.000 3.664 2.491 4.997 . 0 0 "[ . 1 . 2]" 1
1398 1 120 PHE QE 1 141 TRP HH2 0.000 . 3.500 3.395 2.848 3.513 0.013 14 0 "[ . 1 . 2]" 1
1399 1 122 TYR QD 1 141 TRP HH2 0.000 . 3.500 2.249 1.852 3.052 . 0 0 "[ . 1 . 2]" 1
1400 1 122 TYR QE 1 141 TRP HH2 0.000 . 5.000 2.730 1.857 4.157 . 0 0 "[ . 1 . 2]" 1
1401 1 141 TRP HH2 1 148 TYR QE 0.000 . 5.000 2.181 1.870 3.506 . 0 0 "[ . 1 . 2]" 1
1402 1 122 TYR QD 1 141 TRP HZ2 0.000 . 5.000 3.593 1.863 4.100 . 0 0 "[ . 1 . 2]" 1
1403 1 122 TYR QE 1 141 TRP HZ2 0.000 . 2.700 2.561 1.986 2.715 0.015 19 0 "[ . 1 . 2]" 1
1404 1 141 TRP HZ2 1 148 TYR QD 0.000 . 5.000 4.584 3.578 5.015 0.015 11 0 "[ . 1 . 2]" 1
1405 1 141 TRP HZ2 1 148 TYR QE 0.000 . 3.500 3.394 3.013 3.519 0.019 15 0 "[ . 1 . 2]" 1
1406 1 122 TYR QD 1 141 TRP HZ3 0.000 . 5.000 3.831 3.016 4.645 . 0 0 "[ . 1 . 2]" 1
1407 1 141 TRP HZ3 1 148 TYR QD 0.000 . 5.000 2.822 2.416 3.133 . 0 0 "[ . 1 . 2]" 1
1408 1 141 TRP HZ3 1 148 TYR QE 0.000 . 3.500 3.503 3.416 3.520 0.020 16 0 "[ . 1 . 2]" 1
1409 1 120 PHE QE 1 142 CYS HA 0.000 . 3.500 3.138 2.700 3.331 . 0 0 "[ . 1 . 2]" 1
1410 1 120 PHE HZ 1 142 CYS HA 0.000 . 3.500 2.812 2.248 3.505 0.005 16 0 "[ . 1 . 2]" 1
1411 1 130 CYS HA 1 142 CYS HA 0.000 . 5.000 3.023 2.355 3.585 . 0 0 "[ . 1 . 2]" 1
1412 1 143 GLY HA3 1 154 PHE HA 0.000 . 5.000 2.666 1.930 3.276 . 0 0 "[ . 1 . 2]" 1
1413 1 143 GLY HA2 1 154 PHE HA 0.000 . 5.000 4.398 3.668 5.001 0.001 14 0 "[ . 1 . 2]" 1
1414 1 114 ALA MB 1 144 THR MG 0.000 . 3.500 2.307 1.600 3.440 . 0 0 "[ . 1 . 2]" 1
1415 1 144 THR MG 1 154 PHE HA 0.000 . 3.500 3.289 1.990 3.520 0.020 13 0 "[ . 1 . 2]" 1
1416 1 145 THR MG 1 151 ASP HB3 0.000 . 3.500 2.895 2.076 3.402 . 0 0 "[ . 1 . 2]" 1
1417 1 145 THR MG 1 153 LYS QB 0.000 . 3.500 2.899 1.780 3.479 . 0 0 "[ . 1 . 2]" 1
1418 1 145 THR MG 1 153 LYS HD3 0.000 . 3.500 3.298 2.296 4.479 0.979 4 3 "[ +. - .* 2]" 1
1419 1 145 THR MG 1 153 LYS HD2 0.000 . 5.000 3.672 2.766 4.442 . 0 0 "[ . 1 . 2]" 1
1420 1 145 THR MG 1 153 LYS QE 0.000 . 5.000 4.057 1.837 4.770 . 0 0 "[ . 1 . 2]" 1
1421 1 117 HIS HD2 1 146 GLN HA 0.000 . 2.700 2.340 1.865 2.704 0.004 7 0 "[ . 1 . 2]" 1
1422 1 117 HIS HE1 1 146 GLN HA 0.000 . 5.000 4.624 3.965 5.007 0.007 5 0 "[ . 1 . 2]" 1
1423 1 117 HIS HD2 1 146 GLN HB3 0.000 . 5.000 3.777 1.904 5.013 0.013 3 0 "[ . 1 . 2]" 1
1424 1 117 HIS HE1 1 146 GLN HB3 0.000 . 5.000 4.761 3.311 5.025 0.025 3 0 "[ . 1 . 2]" 1
1425 1 117 HIS HD2 1 146 GLN HB2 0.000 . 5.000 3.964 3.060 5.023 0.023 13 0 "[ . 1 . 2]" 1
1426 1 117 HIS HE1 1 146 GLN HB2 0.000 . 5.000 4.415 3.351 5.034 0.034 13 0 "[ . 1 . 2]" 1
1427 1 117 HIS HD2 1 146 GLN HG3 0.000 . 5.000 4.690 3.547 5.284 0.284 9 0 "[ . 1 . 2]" 1
1428 1 122 TYR QD 1 148 TYR QE 0.000 . 2.700 2.711 2.636 2.747 0.047 17 0 "[ . 1 . 2]" 1
1429 1 122 TYR QE 1 148 TYR QE 0.000 . 3.500 2.193 1.935 2.351 . 0 0 "[ . 1 . 2]" 1
1430 1 148 TYR QE 1 154 PHE QD 0.000 . 2.700 2.644 2.232 2.709 0.009 4 0 "[ . 1 . 2]" 1
1431 1 148 TYR QE 1 154 PHE QE 0.000 . 5.000 4.724 3.775 4.976 . 0 0 "[ . 1 . 2]" 1
1432 1 141 TRP HE3 1 154 PHE HA 0.000 . 5.000 3.438 2.592 4.354 . 0 0 "[ . 1 . 2]" 1
1433 1 148 TYR QE 1 154 PHE HA 0.000 . 5.000 3.932 3.031 5.005 0.005 17 0 "[ . 1 . 2]" 1
1434 1 148 TYR QE 1 154 PHE HB3 0.000 . 3.500 2.323 1.857 3.509 0.009 17 0 "[ . 1 . 2]" 1
1435 1 106 THR HB 1 155 GLY QA 0.000 . 3.500 2.127 1.814 3.161 . 0 0 "[ . 1 . 2]" 1
1436 1 141 TRP HA 1 156 PHE HA 0.000 . 2.700 2.290 1.865 2.708 0.008 20 0 "[ . 1 . 2]" 1
1437 1 11 VAL H 1 112 ASN HD21 0.000 . 5.000 3.452 2.817 4.152 . 0 0 "[ . 1 . 2]" 1
1438 1 11 VAL H 1 112 ASN HD22 0.000 . 5.000 4.382 1.949 5.002 0.002 8 0 "[ . 1 . 2]" 1
1439 1 16 MET H 1 145 THR MG 0.000 . 5.000 4.846 4.105 5.008 0.008 9 0 "[ . 1 . 2]" 1
1440 1 17 GLN H 1 114 ALA MB 0.000 . 5.000 4.757 4.104 5.010 0.010 20 0 "[ . 1 . 2]" 1
1441 1 18 TRP H 1 115 LEU HB3 0.000 . 5.000 3.708 3.155 4.933 . 0 0 "[ . 1 . 2]" 1
1442 1 19 LEU H 1 114 ALA HA 0.000 . 5.000 4.783 4.149 5.006 0.006 14 0 "[ . 1 . 2]" 1
1443 1 10 VAL QG 1 112 ASN HD21 0.000 . 5.000 2.909 1.857 3.613 . 0 0 "[ . 1 . 2]" 1
1444 1 10 VAL QG 1 112 ASN HD22 0.000 . 5.000 3.941 2.062 4.768 . 0 0 "[ . 1 . 2]" 1
1445 1 10 VAL QG 1 112 ASN H 0.000 . 5.000 4.681 4.083 4.928 . 0 0 "[ . 1 . 2]" 1
1446 1 12 TYR QD 1 114 ALA H 0.000 . 5.000 4.989 4.713 5.020 0.020 11 0 "[ . 1 . 2]" 1
1447 1 12 TYR QE 1 114 ALA H 0.000 . 3.500 3.428 3.139 3.516 0.016 20 0 "[ . 1 . 2]" 1
1448 1 16 MET ME 1 114 ALA H 0.000 . 5.000 4.979 4.666 5.029 0.029 13 0 "[ . 1 . 2]" 1
1449 1 18 TRP HA 1 115 LEU H 0.000 . 5.000 1.981 1.860 2.298 . 0 0 "[ . 1 . 2]" 1
1450 1 10 VAL QG 1 112 ASN HB3 0.000 . 3.500 2.169 1.712 3.463 . 0 0 "[ . 1 . 2]" 1
1451 1 10 VAL QG 1 112 ASN HA 0.000 . 5.000 3.871 3.435 4.571 . 0 0 "[ . 1 . 2]" 1
1452 1 10 VAL QG 1 112 ASN HB2 0.000 . 3.500 2.158 1.804 3.437 . 0 0 "[ . 1 . 2]" 1
1453 1 16 MET ME 1 111 SER QB 0.000 . 5.000 2.721 1.787 3.764 . 0 0 "[ . 1 . 2]" 1
1454 1 16 MET ME 1 111 SER HA 0.000 . 2.700 2.674 2.246 2.731 0.031 8 0 "[ . 1 . 2]" 1
1455 1 16 MET ME 1 153 LYS HA 0.000 . 5.000 4.433 3.473 5.027 0.027 13 0 "[ . 1 . 2]" 1
1456 1 16 MET ME 1 153 LYS QE 0.000 . 3.500 2.560 1.596 3.505 0.005 5 0 "[ . 1 . 2]" 1
1457 1 19 LEU HB3 1 105 GLN QG 0.000 . 5.000 3.892 2.489 5.004 0.004 8 0 "[ . 1 . 2]" 1
1458 1 19 LEU QD 1 105 GLN QG 0.000 . 3.500 2.945 1.698 3.459 . 0 0 "[ . 1 . 2]" 1
1459 1 28 LEU QD 1 103 LEU QD 0.000 . 2.700 2.037 1.513 2.595 . 0 0 "[ . 1 . 2]" 1
1460 1 28 LEU QD 1 103 LEU HB3 0.000 . 3.500 3.497 3.077 4.416 0.916 15 2 "[ -. 1 + 2]" 1
1461 1 28 LEU QD 1 103 LEU HB2 0.000 . 5.000 3.698 3.290 4.506 . 0 0 "[ . 1 . 2]" 1
1462 1 28 LEU QD 1 103 LEU HG 0.000 . 5.000 3.857 1.888 4.724 . 0 0 "[ . 1 . 2]" 1
1463 1 12 TYR QE 1 112 ASN HA 0.000 . 5.000 4.851 4.386 5.016 0.016 19 0 "[ . 1 . 2]" 1
1464 1 12 TYR QE 1 112 ASN HB3 0.000 . 5.000 4.522 3.301 5.013 0.013 1 0 "[ . 1 . 2]" 1
1465 1 12 TYR QE 1 112 ASN HB2 0.000 . 5.000 3.702 3.168 4.550 . 0 0 "[ . 1 . 2]" 1
1466 1 12 TYR QE 1 114 ALA HA 0.000 . 5.000 2.565 2.146 3.367 . 0 0 "[ . 1 . 2]" 1
1467 1 12 TYR QD 1 114 ALA MB 0.000 . 3.500 2.276 2.040 2.585 . 0 0 "[ . 1 . 2]" 1
1468 1 12 TYR QE 1 114 ALA MB 0.000 . 2.700 2.304 1.855 2.713 0.013 9 0 "[ . 1 . 2]" 1
1469 1 13 SER HB3 1 145 THR MG 0.000 . 5.000 4.573 3.632 5.007 0.007 8 0 "[ . 1 . 2]" 1
1470 1 13 SER HB2 1 145 THR MG 0.000 . 5.000 4.717 3.464 5.004 0.004 8 0 "[ . 1 . 2]" 1
1471 1 16 MET HG3 1 145 THR MG 0.000 . 5.000 3.354 2.451 5.433 0.433 2 0 "[ . 1 . 2]" 1
1472 1 16 MET ME 1 145 THR MG 0.000 . 2.700 2.722 2.707 2.776 0.076 13 0 "[ . 1 . 2]" 1
1473 1 16 MET ME 1 153 LYS HD3 0.000 . 3.500 2.494 1.722 4.043 0.543 10 1 "[ . + . 2]" 1
1474 1 16 MET ME 1 153 LYS HD2 0.000 . 5.000 3.431 2.229 4.362 . 0 0 "[ . 1 . 2]" 1
1475 1 16 MET ME 1 153 LYS QG 0.000 . 3.500 3.092 1.587 3.557 0.057 13 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 78
_Distance_constraint_stats_list.Viol_count 139
_Distance_constraint_stats_list.Viol_total 104.645
_Distance_constraint_stats_list.Viol_max 0.559
_Distance_constraint_stats_list.Viol_rms 0.0253
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0376
_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 3 HIS 0.222 0.047 3 0 "[ . 1 . 2]"
1 4 CYS 0.359 0.240 17 0 "[ . 1 . 2]"
1 5 VAL 0.623 0.240 17 0 "[ . 1 . 2]"
1 6 THR 0.071 0.030 18 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.072 0.028 14 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 TYR 0.915 0.237 19 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 MET 0.480 0.237 19 0 "[ . 1 . 2]"
1 17 GLN 0.099 0.067 18 0 "[ . 1 . 2]"
1 18 TRP 0.915 0.237 19 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.026 0.004 17 0 "[ . 1 . 2]"
1 31 CYS 0.099 0.067 18 0 "[ . 1 . 2]"
1 32 LEU 0.039 0.006 9 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.013 0.006 9 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.045 0.021 11 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLN 0.004 0.002 19 0 "[ . 1 . 2]"
1 56 CYS 0.278 0.089 12 0 "[ . 1 . 2]"
1 57 VAL 0.278 0.089 12 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.278 0.089 12 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.181 0.082 16 0 "[ . 1 . 2]"
1 102 VAL 0.181 0.082 16 0 "[ . 1 . 2]"
1 103 LEU 0.535 0.160 20 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLN 0.159 0.028 10 0 "[ . 1 . 2]"
1 106 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 LEU 0.674 0.160 20 0 "[ . 1 . 2]"
1 116 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 HIS 0.003 0.003 1 0 "[ . 1 . 2]"
1 118 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.868 0.149 7 0 "[ . 1 . 2]"
1 126 ASN 0.868 0.149 7 0 "[ . 1 . 2]"
1 128 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 GLN 0.003 0.003 1 0 "[ . 1 . 2]"
1 147 ASN 0.868 0.149 7 0 "[ . 1 . 2]"
1 154 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 PRO 1.509 0.559 14 2 "[- . 1 +. 2]"
1 159 MET 1.509 0.559 14 2 "[- . 1 +. 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS H 1 6 THR HB 0.000 . 5.000 4.092 3.307 4.690 . 0 0 "[ . 1 . 2]" 2
2 1 5 VAL H 1 5 VAL QG 0.000 . 3.500 2.192 1.780 2.982 . 0 0 "[ . 1 . 2]" 2
3 1 5 VAL QG 1 6 THR H 0.000 . 3.500 2.822 2.073 3.525 0.025 8 0 "[ . 1 . 2]" 2
4 1 5 VAL QG 1 9 GLY H 0.000 . 5.000 3.753 2.851 4.910 . 0 0 "[ . 1 . 2]" 2
5 1 5 VAL QG 1 10 VAL H 0.000 . 5.000 3.504 2.459 5.001 0.001 8 0 "[ . 1 . 2]" 2
6 1 5 VAL QG 1 11 VAL H 0.000 . 5.000 3.669 2.937 4.403 . 0 0 "[ . 1 . 2]" 2
7 1 5 VAL QG 1 12 TYR H 0.000 . 5.000 3.992 3.436 4.737 . 0 0 "[ . 1 . 2]" 2
8 1 12 TYR QD 1 13 SER H 0.000 . 5.000 4.096 3.686 4.378 . 0 0 "[ . 1 . 2]" 2
9 1 13 SER H 1 16 MET HB2 0.000 . 5.000 3.158 2.591 3.615 . 0 0 "[ . 1 . 2]" 2
10 1 16 MET HG2 1 17 GLN H 0.000 . 5.000 1.996 1.842 3.449 . 0 0 "[ . 1 . 2]" 2
11 1 16 MET HB2 1 17 GLN H 0.000 . 5.000 4.021 2.690 4.267 . 0 0 "[ . 1 . 2]" 2
12 1 18 TRP H 1 115 LEU QD 0.000 . 5.000 3.398 2.534 4.558 . 0 0 "[ . 1 . 2]" 2
13 1 19 LEU H 1 115 LEU QD 0.000 . 5.000 3.089 2.040 4.314 . 0 0 "[ . 1 . 2]" 2
14 1 22 GLN H 1 23 GLY H 0.000 . 5.000 3.179 2.745 4.043 . 0 0 "[ . 1 . 2]" 2
15 1 19 LEU QD 1 29 CYS H 0.000 . 5.000 4.021 3.624 4.516 . 0 0 "[ . 1 . 2]" 2
16 1 16 MET HG2 1 31 CYS H 0.000 . 5.000 4.581 4.083 5.067 0.067 18 0 "[ . 1 . 2]" 2
17 1 32 LEU H 1 32 LEU QD 0.000 . 5.000 3.389 2.790 3.763 . 0 0 "[ . 1 . 2]" 2
18 1 32 LEU QD 1 33 GLY H 0.000 . 5.000 3.911 3.011 4.636 . 0 0 "[ . 1 . 2]" 2
19 1 32 LEU QD 1 35 GLY H 0.000 . 5.000 4.568 3.857 5.006 0.006 9 0 "[ . 1 . 2]" 2
20 1 32 LEU QD 1 37 SER H 0.000 . 5.000 2.959 1.836 4.275 . 0 0 "[ . 1 . 2]" 2
21 1 43 VAL H 1 43 VAL QG 0.000 . 2.700 2.244 1.798 2.721 0.021 11 0 "[ . 1 . 2]" 2
22 1 43 VAL QG 1 44 THR H 0.000 . 5.000 2.530 1.774 3.729 . 0 0 "[ . 1 . 2]" 2
23 1 43 VAL QG 1 45 GLN H 0.000 . 5.000 4.795 3.689 5.002 0.002 19 0 "[ . 1 . 2]" 2
24 1 76 GLN HB3 1 77 ASP H 0.000 . 5.000 3.904 2.199 4.342 . 0 0 "[ . 1 . 2]" 2
25 1 75 ARG HB2 1 77 ASP H 0.000 . 5.000 3.637 2.957 4.043 . 0 0 "[ . 1 . 2]" 2
26 1 85 THR HB 1 86 SER H 0.000 . 2.700 2.573 2.532 2.617 . 0 0 "[ . 1 . 2]" 2
27 1 85 THR HB 1 87 ASN H 0.000 . 3.500 2.866 2.444 3.198 . 0 0 "[ . 1 . 2]" 2
28 1 89 GLU HB3 1 90 GLN H 0.000 . 5.000 3.637 2.955 4.076 . 0 0 "[ . 1 . 2]" 2
29 1 98 THR H 1 99 ASP H 0.000 . 5.000 3.357 2.928 3.779 . 0 0 "[ . 1 . 2]" 2
30 1 101 THR H 1 102 VAL QG 0.000 . 5.000 4.624 3.144 5.082 0.082 16 0 "[ . 1 . 2]" 2
31 1 102 VAL H 1 102 VAL QG 0.000 . 3.500 2.171 1.789 3.016 . 0 0 "[ . 1 . 2]" 2
32 1 101 THR HB 1 103 LEU H 0.000 . 2.700 2.326 2.144 2.712 0.012 19 0 "[ . 1 . 2]" 2
33 1 102 VAL QG 1 103 LEU H 0.000 . 5.000 2.963 1.895 3.743 . 0 0 "[ . 1 . 2]" 2
34 1 104 VAL H 1 115 LEU QD 0.000 . 5.000 2.461 1.936 3.337 . 0 0 "[ . 1 . 2]" 2
35 1 105 GLN H 1 115 LEU QD 0.000 . 5.000 3.545 3.305 3.965 . 0 0 "[ . 1 . 2]" 2
36 1 106 THR H 1 115 LEU QD 0.000 . 5.000 4.081 3.749 4.546 . 0 0 "[ . 1 . 2]" 2
37 1 19 LEU QD 1 115 LEU H 0.000 . 5.000 3.579 3.267 3.689 . 0 0 "[ . 1 . 2]" 2
38 1 115 LEU QD 1 116 CYS H 0.000 . 5.000 3.466 2.824 4.174 . 0 0 "[ . 1 . 2]" 2
39 1 117 HIS H 1 144 THR HA 0.000 . 5.000 2.467 1.975 2.934 . 0 0 "[ . 1 . 2]" 2
40 1 118 PHE QE 1 129 ASP H 0.000 . 5.000 2.116 1.852 3.482 . 0 0 "[ . 1 . 2]" 2
41 1 118 PHE QE 1 130 CYS H 0.000 . 5.000 2.969 2.530 3.440 . 0 0 "[ . 1 . 2]" 2
42 1 158 PRO HB2 1 159 MET H 0.000 . 2.700 2.530 1.807 3.259 0.559 14 2 "[- . 1 +. 2]" 2
43 1 12 TYR QD 1 18 TRP HE1 0.000 . 5.000 4.183 3.333 4.718 . 0 0 "[ . 1 . 2]" 2
44 1 3 HIS HD2 1 5 VAL QG 0.000 . 3.500 2.982 2.253 3.547 0.047 3 0 "[ . 1 . 2]" 2
45 1 4 CYS HB3 1 5 VAL QG 0.000 . 5.000 4.777 4.345 5.240 0.240 17 0 "[ . 1 . 2]" 2
46 1 6 THR MG 1 12 TYR QD 0.000 . 3.500 2.497 1.729 3.530 0.030 18 0 "[ . 1 . 2]" 2
47 1 10 VAL HB 1 12 TYR QD 0.000 . 5.000 4.107 3.389 5.028 0.028 14 0 "[ . 1 . 2]" 2
48 1 10 VAL QG 1 12 TYR QD 0.000 . 5.000 3.117 1.703 3.832 . 0 0 "[ . 1 . 2]" 2
49 1 5 VAL QG 1 11 VAL QG 0.000 . 2.700 1.945 1.533 2.422 . 0 0 "[ . 1 . 2]" 2
50 1 12 TYR HA 1 12 TYR QD 0.000 . 2.700 2.686 2.421 2.794 0.094 8 0 "[ . 1 . 2]" 2
51 1 12 TYR HB3 1 12 TYR QD 0.000 . 3.500 2.365 2.276 2.471 . 0 0 "[ . 1 . 2]" 2
52 1 12 TYR QD 1 16 MET HB2 0.000 . 3.500 3.272 2.250 3.737 0.237 19 0 "[ . 1 . 2]" 2
53 1 12 TYR QD 1 16 MET HG2 0.000 . 5.000 3.263 2.354 4.414 . 0 0 "[ . 1 . 2]" 2
54 1 12 TYR QD 1 17 GLN HA 0.000 . 5.000 3.086 2.061 3.452 . 0 0 "[ . 1 . 2]" 2
55 1 17 GLN HA 1 28 LEU QD 0.000 . 5.000 4.142 3.102 4.712 . 0 0 "[ . 1 . 2]" 2
56 1 30 THR HB 1 32 LEU QD 0.000 . 2.700 2.542 1.865 2.704 0.004 17 0 "[ . 1 . 2]" 2
57 1 39 GLN HA 1 39 GLN HB3 0.000 . 2.700 2.357 2.150 2.577 . 0 0 "[ . 1 . 2]" 2
58 1 39 GLN HA 1 39 GLN HB2 0.000 . 2.700 2.486 2.233 2.638 . 0 0 "[ . 1 . 2]" 2
59 1 56 CYS HA 1 57 VAL QG 0.000 . 2.700 2.712 2.691 2.789 0.089 12 0 "[ . 1 . 2]" 2
60 1 58 LEU QD 1 68 TYR HA 0.000 . 2.700 1.720 1.566 1.879 . 0 0 "[ . 1 . 2]" 2
61 1 72 THR MG 1 81 TRP HD1 0.000 . 5.000 2.561 1.873 3.496 . 0 0 "[ . 1 . 2]" 2
62 1 80 LEU QD 1 101 THR HA 0.000 . 5.000 3.653 2.430 4.735 . 0 0 "[ . 1 . 2]" 2
63 1 80 LEU QD 1 101 THR HB 0.000 . 5.000 3.721 2.592 4.803 . 0 0 "[ . 1 . 2]" 2
64 1 80 LEU QD 1 101 THR MG 0.000 . 2.700 2.166 1.598 2.692 . 0 0 "[ . 1 . 2]" 2
65 1 109 GLY HA3 1 154 PHE QD 0.000 . 5.000 2.768 1.871 3.288 . 0 0 "[ . 1 . 2]" 2
66 1 109 GLY HA3 1 154 PHE QE 0.000 . 5.000 3.605 2.482 4.962 . 0 0 "[ . 1 . 2]" 2
67 1 103 LEU HA 1 115 LEU QD 0.000 . 2.700 2.660 2.286 2.860 0.160 20 0 "[ . 1 . 2]" 2
68 1 103 LEU HB3 1 115 LEU QD 0.000 . 5.000 1.947 1.616 3.430 . 0 0 "[ . 1 . 2]" 2
69 1 103 LEU HB2 1 115 LEU QD 0.000 . 3.500 2.136 1.672 3.299 . 0 0 "[ . 1 . 2]" 2
70 1 103 LEU QD 1 115 LEU QD 0.000 . 2.700 2.142 1.694 2.639 . 0 0 "[ . 1 . 2]" 2
71 1 105 GLN HA 1 115 LEU QD 0.000 . 2.700 2.681 2.527 2.728 0.028 10 0 "[ . 1 . 2]" 2
72 1 105 GLN QG 1 115 LEU QD 0.000 . 2.700 2.503 1.832 2.699 . 0 0 "[ . 1 . 2]" 2
73 1 117 HIS HB2 1 117 HIS HE1 0.000 . 5.000 4.398 2.481 5.003 0.003 1 0 "[ . 1 . 2]" 2
74 1 121 LEU HB3 1 126 ASN HA 0.000 . 3.500 1.845 1.752 1.994 . 0 0 "[ . 1 . 2]" 2
75 1 121 LEU HB2 1 126 ASN HA 0.000 . 2.700 2.646 1.955 2.849 0.149 7 0 "[ . 1 . 2]" 2
76 1 121 LEU QD 1 126 ASN HA 0.000 . 2.700 1.997 1.727 2.403 . 0 0 "[ . 1 . 2]" 2
77 1 121 LEU HG 1 126 ASN HA 0.000 . 5.000 3.796 3.536 4.012 . 0 0 "[ . 1 . 2]" 2
78 1 120 PHE QD 1 128 THR HA 0.000 . 5.000 3.250 2.829 3.589 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 108
_Distance_constraint_stats_list.Viol_count 443
_Distance_constraint_stats_list.Viol_total 308.467
_Distance_constraint_stats_list.Viol_max 1.287
_Distance_constraint_stats_list.Viol_rms 0.0565
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0348
_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 4 CYS 0.096 0.021 3 0 "[ . 1 . 2]"
1 6 THR 0.701 0.111 19 0 "[ . 1 . 2]"
1 10 VAL 0.701 0.111 19 0 "[ . 1 . 2]"
1 12 TYR 0.096 0.021 3 0 "[ . 1 . 2]"
1 16 MET 0.801 0.081 1 0 "[ . 1 . 2]"
1 17 GLN 3.978 1.076 10 3 "[ . * + . - 2]"
1 18 TRP 0.019 0.005 13 0 "[ . 1 . 2]"
1 20 LYS 0.017 0.003 13 0 "[ . 1 . 2]"
1 27 MET 0.017 0.003 13 0 "[ . 1 . 2]"
1 28 LEU 0.038 0.008 9 0 "[ . 1 . 2]"
1 29 CYS 0.019 0.005 13 0 "[ . 1 . 2]"
1 30 THR 0.030 0.010 20 0 "[ . 1 . 2]"
1 31 CYS 0.801 0.081 1 0 "[ . 1 . 2]"
1 37 SER 0.030 0.010 20 0 "[ . 1 . 2]"
1 39 GLN 0.038 0.008 9 0 "[ . 1 . 2]"
1 47 TYR 0.040 0.008 2 0 "[ . 1 . 2]"
1 57 VAL 0.028 0.016 20 0 "[ . 1 . 2]"
1 60 PHE 0.010 0.003 3 0 "[ . 1 . 2]"
1 62 TYR 0.893 0.054 12 0 "[ . 1 . 2]"
1 65 ARG 0.893 0.054 12 0 "[ . 1 . 2]"
1 67 PHE 0.010 0.003 3 0 "[ . 1 . 2]"
1 71 THR 0.004 0.004 20 0 "[ . 1 . 2]"
1 75 ARG 3.504 1.287 5 2 "[ + 1 . - 2]"
1 77 ASP 3.504 1.287 5 2 "[ + 1 . - 2]"
1 80 LEU 0.002 0.001 2 0 "[ . 1 . 2]"
1 81 TRP 0.004 0.004 20 0 "[ . 1 . 2]"
1 82 CYS 0.014 0.003 17 0 "[ . 1 . 2]"
1 83 SER 0.028 0.016 20 0 "[ . 1 . 2]"
1 84 THR 0.002 0.002 4 0 "[ . 1 . 2]"
1 88 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 LYS 0.002 0.002 4 0 "[ . 1 . 2]"
1 95 SER 0.014 0.003 17 0 "[ . 1 . 2]"
1 96 PHE 0.040 0.008 2 0 "[ . 1 . 2]"
1 97 CYS 0.002 0.001 2 0 "[ . 1 . 2]"
1 104 VAL 0.723 0.047 14 0 "[ . 1 . 2]"
1 106 THR 0.198 0.021 2 0 "[ . 1 . 2]"
1 107 ARG 0.211 0.042 8 0 "[ . 1 . 2]"
1 114 ALA 0.198 0.021 2 0 "[ . 1 . 2]"
1 115 LEU 3.978 1.076 10 3 "[ . * + . - 2]"
1 116 CYS 0.723 0.047 14 0 "[ . 1 . 2]"
1 117 HIS 0.223 0.026 7 0 "[ . 1 . 2]"
1 120 PHE 0.045 0.009 7 0 "[ . 1 . 2]"
1 121 LEU 0.213 0.051 5 0 "[ . 1 . 2]"
1 122 TYR 0.567 0.055 6 0 "[ . 1 . 2]"
1 125 HIS 0.567 0.055 6 0 "[ . 1 . 2]"
1 127 TYR 0.045 0.009 7 0 "[ . 1 . 2]"
1 131 THR 0.313 0.040 15 0 "[ . 1 . 2]"
1 135 ARG 2.323 0.494 14 0 "[ . 1 . 2]"
1 137 ASP 2.323 0.494 14 0 "[ . 1 . 2]"
1 140 LYS 0.144 0.021 16 0 "[ . 1 . 2]"
1 141 TRP 0.313 0.040 15 0 "[ . 1 . 2]"
1 142 CYS 0.071 0.020 9 0 "[ . 1 . 2]"
1 143 GLY 0.223 0.026 7 0 "[ . 1 . 2]"
1 144 THR 0.057 0.013 13 0 "[ . 1 . 2]"
1 146 GLN 0.012 0.008 20 0 "[ . 1 . 2]"
1 147 ASN 0.158 0.023 16 0 "[ . 1 . 2]"
1 148 TYR 0.201 0.051 5 0 "[ . 1 . 2]"
1 150 ALA 0.082 0.015 1 0 "[ . 1 . 2]"
1 151 ASP 0.076 0.023 16 0 "[ . 1 . 2]"
1 152 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 LYS 0.057 0.013 13 0 "[ . 1 . 2]"
1 155 GLY 0.071 0.020 9 0 "[ . 1 . 2]"
1 156 PHE 0.211 0.042 8 0 "[ . 1 . 2]"
1 157 CYS 0.144 0.021 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 CYS O 1 12 TYR N 0.000 . 3.300 2.809 2.433 3.292 . 0 0 "[ . 1 . 2]" 3
2 1 4 CYS O 1 12 TYR H 0.000 . 2.300 2.048 1.582 2.317 0.017 8 0 "[ . 1 . 2]" 3
3 1 6 THR O 1 10 VAL N 0.000 . 3.300 3.030 2.433 3.304 0.004 14 0 "[ . 1 . 2]" 3
4 1 6 THR O 1 10 VAL H 0.000 . 2.300 2.163 1.581 2.411 0.111 19 0 "[ . 1 . 2]" 3
5 1 6 THR N 1 10 VAL O 0.000 . 3.300 2.904 2.441 3.247 . 0 0 "[ . 1 . 2]" 3
6 1 6 THR H 1 10 VAL O 0.000 . 2.300 2.034 1.580 2.344 0.044 4 0 "[ . 1 . 2]" 3
7 1 4 CYS N 1 12 TYR O 0.000 . 3.300 2.912 2.466 3.273 . 0 0 "[ . 1 . 2]" 3
8 1 4 CYS H 1 12 TYR O 0.000 . 2.300 2.124 1.578 2.321 0.021 3 0 "[ . 1 . 2]" 3
9 1 16 MET O 1 31 CYS N 0.000 . 3.300 2.696 2.535 2.868 . 0 0 "[ . 1 . 2]" 3
10 1 16 MET O 1 31 CYS H 0.000 . 2.300 1.816 1.601 2.050 . 0 0 "[ . 1 . 2]" 3
11 1 18 TRP O 1 29 CYS N 0.000 . 3.300 2.911 2.430 3.252 . 0 0 "[ . 1 . 2]" 3
12 1 18 TRP O 1 29 CYS H 0.000 . 2.300 2.059 1.581 2.305 0.005 13 0 "[ . 1 . 2]" 3
13 1 20 LYS O 1 27 MET N 0.000 . 3.300 2.860 2.429 3.280 . 0 0 "[ . 1 . 2]" 3
14 1 20 LYS O 1 27 MET H 0.000 . 2.300 2.016 1.595 2.303 0.003 13 0 "[ . 1 . 2]" 3
15 1 20 LYS N 1 27 MET O 0.000 . 3.300 2.816 2.430 3.175 . 0 0 "[ . 1 . 2]" 3
16 1 20 LYS H 1 27 MET O 0.000 . 2.300 2.087 1.583 2.303 0.003 12 0 "[ . 1 . 2]" 3
17 1 28 LEU O 1 39 GLN N 0.000 . 3.300 2.623 2.433 2.832 . 0 0 "[ . 1 . 2]" 3
18 1 28 LEU O 1 39 GLN H 0.000 . 2.300 1.796 1.581 2.138 . 0 0 "[ . 1 . 2]" 3
19 1 18 TRP N 1 29 CYS O 0.000 . 3.300 2.598 2.432 2.840 . 0 0 "[ . 1 . 2]" 3
20 1 18 TRP H 1 29 CYS O 0.000 . 2.300 1.905 1.579 2.302 0.002 4 0 "[ . 1 . 2]" 3
21 1 16 MET N 1 31 CYS O 0.000 . 3.300 3.257 3.217 3.285 . 0 0 "[ . 1 . 2]" 3
22 1 16 MET H 1 31 CYS O 0.000 . 2.300 2.340 2.310 2.381 0.081 1 0 "[ . 1 . 2]" 3
23 1 30 THR O 1 37 SER N 0.000 . 3.300 2.703 2.432 3.165 . 0 0 "[ . 1 . 2]" 3
24 1 30 THR O 1 37 SER H 0.000 . 2.300 1.936 1.582 2.308 0.008 20 0 "[ . 1 . 2]" 3
25 1 30 THR N 1 37 SER O 0.000 . 3.300 2.881 2.433 3.264 . 0 0 "[ . 1 . 2]" 3
26 1 30 THR H 1 37 SER O 0.000 . 2.300 2.079 1.678 2.310 0.010 20 0 "[ . 1 . 2]" 3
27 1 28 LEU N 1 39 GLN O 0.000 . 3.300 2.996 2.482 3.266 . 0 0 "[ . 1 . 2]" 3
28 1 28 LEU H 1 39 GLN O 0.000 . 2.300 2.175 1.582 2.308 0.008 9 0 "[ . 1 . 2]" 3
29 1 60 PHE O 1 67 PHE N 0.000 . 3.300 2.935 2.432 3.144 . 0 0 "[ . 1 . 2]" 3
30 1 60 PHE O 1 67 PHE H 0.000 . 2.300 2.138 1.730 2.303 0.003 3 0 "[ . 1 . 2]" 3
31 1 62 TYR O 1 65 ARG N 0.000 . 3.300 3.266 2.824 3.325 0.025 12 0 "[ . 1 . 2]" 3
32 1 62 TYR O 1 65 ARG H 0.000 . 2.300 2.302 1.848 2.354 0.054 12 0 "[ . 1 . 2]" 3
33 1 62 TYR N 1 65 ARG O 0.000 . 3.300 2.801 2.713 3.076 . 0 0 "[ . 1 . 2]" 3
34 1 62 TYR H 1 65 ARG O 0.000 . 2.300 1.914 1.790 2.246 . 0 0 "[ . 1 . 2]" 3
35 1 60 PHE N 1 67 PHE O 0.000 . 3.300 2.768 2.432 2.928 . 0 0 "[ . 1 . 2]" 3
36 1 60 PHE H 1 67 PHE O 0.000 . 2.300 1.877 1.600 2.081 . 0 0 "[ . 1 . 2]" 3
37 1 88 TYR O 1 92 GLN N 0.000 . 3.300 2.506 2.417 2.750 . 0 0 "[ . 1 . 2]" 3
38 1 88 TYR O 1 92 GLN H 0.000 . 2.300 1.903 1.697 2.284 . 0 0 "[ . 1 . 2]" 3
39 1 80 LEU O 1 97 CYS N 0.000 . 3.300 2.748 2.432 3.118 . 0 0 "[ . 1 . 2]" 3
40 1 80 LEU O 1 97 CYS H 0.000 . 2.300 1.879 1.576 2.301 0.001 2 0 "[ . 1 . 2]" 3
41 1 82 CYS O 1 95 SER N 0.000 . 3.300 2.758 2.433 3.094 . 0 0 "[ . 1 . 2]" 3
42 1 82 CYS O 1 95 SER H 0.000 . 2.300 2.029 1.581 2.303 0.003 17 0 "[ . 1 . 2]" 3
43 1 84 THR N 1 93 LYS O 0.000 . 3.300 2.865 2.432 3.187 . 0 0 "[ . 1 . 2]" 3
44 1 84 THR H 1 93 LYS O 0.000 . 2.300 2.009 1.578 2.302 0.002 4 0 "[ . 1 . 2]" 3
45 1 82 CYS N 1 95 SER O 0.000 . 3.300 2.817 2.610 3.169 . 0 0 "[ . 1 . 2]" 3
46 1 82 CYS H 1 95 SER O 0.000 . 2.300 2.016 1.729 2.303 0.003 12 0 "[ . 1 . 2]" 3
47 1 71 THR O 1 81 TRP N 0.000 . 3.300 2.821 2.474 3.273 . 0 0 "[ . 1 . 2]" 3
48 1 71 THR O 1 81 TRP H 0.000 . 2.300 1.905 1.581 2.300 0.000 2 0 "[ . 1 . 2]" 3
49 1 71 THR N 1 81 TRP O 0.000 . 3.300 2.958 2.643 3.231 . 0 0 "[ . 1 . 2]" 3
50 1 71 THR H 1 81 TRP O 0.000 . 2.300 2.112 1.842 2.304 0.004 20 0 "[ . 1 . 2]" 3
51 1 57 VAL N 1 83 SER O 0.000 . 3.300 2.837 2.432 3.200 . 0 0 "[ . 1 . 2]" 3
52 1 57 VAL H 1 83 SER O 0.000 . 2.300 2.001 1.616 2.316 0.016 20 0 "[ . 1 . 2]" 3
53 1 47 TYR O 1 96 PHE N 0.000 . 3.300 2.918 2.600 3.125 . 0 0 "[ . 1 . 2]" 3
54 1 47 TYR O 1 96 PHE H 0.000 . 2.300 2.264 1.858 2.308 0.008 2 0 "[ . 1 . 2]" 3
55 1 75 ARG NE 1 77 ASP OD1 0.000 . 3.300 2.878 2.531 3.644 0.344 18 0 "[ . 1 . 2]" 3
56 1 75 ARG HE 1 77 ASP OD1 0.000 . 2.300 2.191 1.634 3.010 0.710 18 1 "[ . 1 . + 2]" 3
57 1 75 ARG NH2 1 77 ASP OD2 0.000 . 3.300 2.942 2.420 4.296 0.996 5 1 "[ + 1 . 2]" 3
58 1 75 ARG QH2 1 77 ASP OD2 0.000 . 2.300 2.271 1.848 3.587 1.287 5 1 "[ + 1 . 2]" 3
59 1 104 VAL O 1 116 CYS N 0.000 . 3.300 2.427 2.398 2.520 . 0 0 "[ . 1 . 2]" 3
60 1 104 VAL O 1 116 CYS H 0.000 . 2.300 2.025 1.712 2.303 0.003 6 0 "[ . 1 . 2]" 3
61 1 106 THR O 1 114 ALA N 0.000 . 3.300 2.811 2.534 2.984 . 0 0 "[ . 1 . 2]" 3
62 1 106 THR O 1 114 ALA H 0.000 . 2.300 2.255 1.780 2.321 0.021 2 0 "[ . 1 . 2]" 3
63 1 106 THR N 1 114 ALA O 0.000 . 3.300 3.043 2.597 3.261 . 0 0 "[ . 1 . 2]" 3
64 1 106 THR H 1 114 ALA O 0.000 . 2.300 2.233 1.988 2.312 0.012 11 0 "[ . 1 . 2]" 3
65 1 104 VAL N 1 116 CYS O 0.000 . 3.300 3.244 3.155 3.318 0.018 14 0 "[ . 1 . 2]" 3
66 1 104 VAL H 1 116 CYS O 0.000 . 2.300 2.334 2.324 2.347 0.047 14 0 "[ . 1 . 2]" 3
67 1 120 PHE O 1 127 TYR N 0.000 . 3.300 2.796 2.429 3.083 . 0 0 "[ . 1 . 2]" 3
68 1 120 PHE O 1 127 TYR H 0.000 . 2.300 2.102 1.582 2.309 0.009 7 0 "[ . 1 . 2]" 3
69 1 122 TYR O 1 125 HIS N 0.000 . 3.300 2.609 2.430 3.063 . 0 0 "[ . 1 . 2]" 3
70 1 122 TYR O 1 125 HIS H 0.000 . 2.300 1.835 1.563 2.311 0.011 20 0 "[ . 1 . 2]" 3
71 1 122 TYR N 1 125 HIS O 0.000 . 3.300 3.219 2.930 3.317 0.017 18 0 "[ . 1 . 2]" 3
72 1 122 TYR H 1 125 HIS O 0.000 . 2.300 2.325 2.280 2.355 0.055 6 0 "[ . 1 . 2]" 3
73 1 120 PHE N 1 127 TYR O 0.000 . 3.300 2.868 2.505 3.196 . 0 0 "[ . 1 . 2]" 3
74 1 120 PHE H 1 127 TYR O 0.000 . 2.300 2.135 1.581 2.307 0.007 8 0 "[ . 1 . 2]" 3
75 1 147 ASN O 1 150 ALA N 0.000 . 3.300 2.893 2.433 3.087 . 0 0 "[ . 1 . 2]" 3
76 1 147 ASN O 1 150 ALA H 0.000 . 2.300 2.189 1.683 2.315 0.015 1 0 "[ . 1 . 2]" 3
77 1 147 ASN O 1 151 ASP N 0.000 . 3.300 2.839 2.433 3.213 . 0 0 "[ . 1 . 2]" 3
78 1 147 ASN O 1 151 ASP H 0.000 . 2.300 2.221 1.808 2.323 0.023 16 0 "[ . 1 . 2]" 3
79 1 148 TYR O 1 152 GLN N 0.000 . 3.300 2.494 2.423 2.691 . 0 0 "[ . 1 . 2]" 3
80 1 148 TYR O 1 152 GLN H 0.000 . 2.300 1.730 1.576 2.273 . 0 0 "[ . 1 . 2]" 3
81 1 140 LYS O 1 157 CYS N 0.000 . 3.300 3.128 2.552 3.264 . 0 0 "[ . 1 . 2]" 3
82 1 140 LYS O 1 157 CYS H 0.000 . 2.300 2.241 1.580 2.321 0.021 16 0 "[ . 1 . 2]" 3
83 1 142 CYS O 1 155 GLY N 0.000 . 3.300 2.939 2.492 3.278 . 0 0 "[ . 1 . 2]" 3
84 1 142 CYS O 1 155 GLY H 0.000 . 2.300 2.139 1.588 2.320 0.020 9 0 "[ . 1 . 2]" 3
85 1 144 THR N 1 153 LYS O 0.000 . 3.300 3.169 2.937 3.287 . 0 0 "[ . 1 . 2]" 3
86 1 144 THR H 1 153 LYS O 0.000 . 2.300 2.227 1.990 2.313 0.013 13 0 "[ . 1 . 2]" 3
87 1 142 CYS N 1 155 GLY O 0.000 . 3.300 2.799 2.433 3.216 . 0 0 "[ . 1 . 2]" 3
88 1 142 CYS H 1 155 GLY O 0.000 . 2.300 1.911 1.573 2.305 0.005 19 0 "[ . 1 . 2]" 3
89 1 131 THR O 1 141 TRP N 0.000 . 3.300 2.969 2.430 3.191 . 0 0 "[ . 1 . 2]" 3
90 1 131 THR O 1 141 TRP H 0.000 . 2.300 2.151 1.582 2.307 0.007 10 0 "[ . 1 . 2]" 3
91 1 131 THR N 1 141 TRP O 0.000 . 3.300 2.505 2.401 2.686 . 0 0 "[ . 1 . 2]" 3
92 1 131 THR H 1 141 TRP O 0.000 . 2.300 2.294 2.139 2.340 0.040 15 0 "[ . 1 . 2]" 3
93 1 117 HIS N 1 143 GLY O 0.000 . 3.300 3.135 2.650 3.303 0.003 17 0 "[ . 1 . 2]" 3
94 1 117 HIS H 1 143 GLY O 0.000 . 2.300 2.263 1.699 2.326 0.026 7 0 "[ . 1 . 2]" 3
95 1 121 LEU N 1 146 GLN O 0.000 . 3.300 2.764 2.431 3.177 . 0 0 "[ . 1 . 2]" 3
96 1 121 LEU H 1 146 GLN O 0.000 . 2.300 2.032 1.551 2.308 0.008 20 0 "[ . 1 . 2]" 3
97 1 121 LEU O 1 148 TYR N 0.000 . 3.300 2.728 2.415 3.199 . 0 0 "[ . 1 . 2]" 3
98 1 121 LEU O 1 148 TYR H 0.000 . 2.300 2.130 1.731 2.351 0.051 5 0 "[ . 1 . 2]" 3
99 1 107 ARG O 1 156 PHE N 0.000 . 3.300 3.131 3.053 3.251 . 0 0 "[ . 1 . 2]" 3
100 1 107 ARG O 1 156 PHE H 0.000 . 2.300 2.297 2.128 2.318 0.018 18 0 "[ . 1 . 2]" 3
101 1 107 ARG N 1 156 PHE O 0.000 . 3.300 2.899 2.432 3.186 . 0 0 "[ . 1 . 2]" 3
102 1 107 ARG H 1 156 PHE O 0.000 . 2.300 2.067 1.578 2.342 0.042 8 0 "[ . 1 . 2]" 3
103 1 135 ARG NE 1 137 ASP OD1 0.000 . 3.300 2.745 2.430 3.275 . 0 0 "[ . 1 . 2]" 3
104 1 135 ARG HE 1 137 ASP OD1 0.000 . 2.300 2.217 1.578 2.323 0.023 8 0 "[ . 1 . 2]" 3
105 1 135 ARG NH2 1 137 ASP OD2 0.000 . 3.300 2.742 2.401 3.261 . 0 0 "[ . 1 . 2]" 3
106 1 135 ARG HH21 1 137 ASP OD2 0.000 . 2.300 2.381 2.087 2.794 0.494 14 0 "[ . 1 . 2]" 3
107 1 17 GLN O 1 115 LEU N 0.000 . 3.300 2.916 2.475 3.759 0.459 10 0 "[ . 1 . 2]" 3
108 1 17 GLN O 1 115 LEU H 0.000 . 2.300 2.250 1.582 3.376 1.076 10 3 "[ . * + . - 2]" 3
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