NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619927 |
5ms9   |
19078 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ms9
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 2098
_Distance_constraint_stats_list.Viol_count 4155
_Distance_constraint_stats_list.Viol_total 13539.494
_Distance_constraint_stats_list.Viol_max 1.672
_Distance_constraint_stats_list.Viol_rms 0.0684
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.1629
_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 9 CYS 0.803 0.168 19 0 "[ . 1 . 2]"
1 10 ASN 4.237 0.388 20 0 "[ . 1 . 2]"
1 11 ILE 13.486 0.388 20 0 "[ . 1 . 2]"
1 12 ARG 7.919 0.386 10 0 "[ . 1 . 2]"
1 13 CYS 0.005 0.005 16 0 "[ . 1 . 2]"
1 14 MET 2.018 0.201 19 0 "[ . 1 . 2]"
1 15 ASN 0.552 0.181 16 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 1.377 0.402 16 0 "[ . 1 . 2]"
1 18 SER 3.485 0.564 18 1 "[ . 1 . + 2]"
1 19 CYS 3.711 0.564 18 1 "[ . 1 . + 2]"
1 20 SER 2.090 0.257 11 0 "[ . 1 . 2]"
1 21 ASP 4.880 0.321 20 0 "[ . 1 . 2]"
1 22 ASP 5.304 0.321 20 0 "[ . 1 . 2]"
1 23 HIS 5.402 0.295 20 0 "[ . 1 . 2]"
1 24 CYS 0.582 0.113 10 0 "[ . 1 . 2]"
1 25 LEU 0.998 0.140 19 0 "[ . 1 . 2]"
1 26 CYS 1.566 0.490 16 0 "[ . 1 . 2]"
1 27 GLN 5.128 0.493 1 0 "[ . 1 . 2]"
1 28 LYS 26.034 0.897 16 6 "[ ** . * - .+ *2]"
1 29 GLY 19.365 0.520 19 2 "[ . - . +2]"
1 30 TYR 23.929 0.897 16 5 "[ ** . * 1 -+ 2]"
1 31 ILE 1.925 0.112 7 0 "[ . 1 . 2]"
1 32 GLY 0.507 0.112 6 0 "[ . 1 . 2]"
1 33 THR 1.956 0.245 1 0 "[ . 1 . 2]"
1 34 HIS 0.176 0.064 16 0 "[ . 1 . 2]"
1 35 CYS 2.833 0.340 6 0 "[ . 1 . 2]"
1 36 GLY 1.084 0.340 6 0 "[ . 1 . 2]"
1 37 GLN 5.791 0.340 8 0 "[ . 1 . 2]"
1 38 PRO 7.305 0.687 6 5 "[ *+ 1 - ** 2]"
1 39 VAL 14.326 0.311 5 0 "[ . 1 . 2]"
1 40 CYS 6.898 0.379 15 0 "[ . 1 . 2]"
1 41 GLU 1.500 0.358 11 0 "[ . 1 . 2]"
1 42 SER 6.591 0.356 1 0 "[ . 1 . 2]"
1 43 GLY 6.003 0.437 15 0 "[ . 1 . 2]"
1 44 CYS 12.509 0.437 15 0 "[ . 1 . 2]"
1 45 LEU 11.037 0.700 11 1 "[ . 1+ . 2]"
1 46 ASN 8.186 0.452 19 0 "[ . 1 . 2]"
1 47 GLY 0.031 0.031 19 0 "[ . 1 . 2]"
1 48 GLY 1.733 0.542 15 1 "[ . 1 + 2]"
1 49 ARG 11.185 0.558 4 2 "[ +. 1 . -]"
1 50 CYS 5.757 0.529 12 1 "[ . 1 + . 2]"
1 51 VAL 7.868 0.558 4 1 "[ +. 1 . 2]"
1 52 ALA 0.412 0.137 16 0 "[ . 1 . 2]"
1 53 PRO 7.315 0.687 6 4 "[ *+ 1 . -* 2]"
1 54 ASN 7.043 0.379 15 0 "[ . 1 . 2]"
1 55 ARG 6.937 0.290 1 0 "[ . 1 . 2]"
1 56 CYS 6.650 0.461 13 0 "[ . 1 . 2]"
1 57 ALA 7.501 0.529 12 1 "[ . 1 + . 2]"
1 58 CYS 0.594 0.542 15 1 "[ . 1 + 2]"
1 59 THR 10.355 0.397 5 0 "[ . 1 . 2]"
1 60 TYR 16.950 0.449 11 0 "[ . 1 . 2]"
1 61 GLY 0.925 0.156 20 0 "[ . 1 . 2]"
1 62 PHE 42.786 1.441 14 1 "[ . 1 +. 2]"
1 63 THR 12.206 0.930 13 2 "[ . 1 + .- 2]"
1 64 GLY 12.937 0.690 18 1 "[ . 1 . + 2]"
1 65 PRO 8.993 0.690 18 1 "[ . 1 . + 2]"
1 66 GLN 3.027 0.700 11 1 "[ . 1+ . 2]"
1 67 CYS 10.633 0.449 11 0 "[ . 1 . 2]"
1 68 GLU 12.476 0.452 19 0 "[ . 1 . 2]"
1 69 ARG 9.850 0.930 13 2 "[ . 1 + .- 2]"
1 70 ASP 2.148 0.259 3 0 "[ . 1 . 2]"
1 71 TYR 26.096 0.389 8 0 "[ . 1 . 2]"
1 72 ARG 6.221 1.441 14 1 "[ . 1 +. 2]"
1 73 THR 9.053 0.364 20 0 "[ . 1 . 2]"
1 74 GLY 2.978 0.219 11 0 "[ . 1 . 2]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PHE 4.218 0.475 5 0 "[ . 1 . 2]"
1 78 THR 5.500 0.909 2 3 "[ + . * . - 2]"
1 79 VAL 0.280 0.052 19 0 "[ . 1 . 2]"
1 80 ILE 29.482 1.672 12 11 "[ - * * **+ **** *]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLN 11.661 1.672 12 4 "[ - * 1 + .* 2]"
1 85 CYS 0.739 0.200 16 0 "[ . 1 . 2]"
1 86 GLN 5.385 0.909 2 3 "[ + . * . - 2]"
1 87 GLY 0.596 0.135 18 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 SER 0.010 0.010 16 0 "[ . 1 . 2]"
1 91 GLY 6.627 0.543 5 1 "[ + 1 . 2]"
1 92 ILE 8.734 0.409 14 0 "[ . 1 . 2]"
1 93 VAL 8.073 0.543 5 1 "[ + 1 . 2]"
1 94 SER 10.071 0.488 14 0 "[ . 1 . 2]"
1 95 THR 28.164 1.153 10 13 "[* ***** +* *- ***]"
1 96 LYS 7.940 1.169 8 3 "[ . + 1 *- . 2]"
1 97 THR 9.736 0.411 19 0 "[ . 1 . 2]"
1 98 LEU 28.307 0.424 15 0 "[ . 1 . 2]"
1 99 CYS 5.129 0.409 14 0 "[ . 1 . 2]"
1 100 CYS 0.057 0.047 5 0 "[ . 1 . 2]"
1 101 ALA 28.286 0.935 19 4 "[ . *1 .*- +2]"
1 102 THR 6.789 0.406 2 0 "[ . 1 . 2]"
1 103 VAL 9.481 0.915 11 3 "[ * .- 1+ . 2]"
1 104 GLY 0.330 0.170 6 0 "[ . 1 . 2]"
1 105 ARG 7.838 0.713 10 8 "[ - * +* .*** *]"
1 106 ALA 9.704 0.676 11 3 "[ . -* 1+ . 2]"
1 107 TRP 41.135 1.169 8 15 "[* *****+ **- ** ***]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 HIS 0.489 0.152 10 0 "[ . 1 . 2]"
1 110 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLU 8.141 0.549 13 1 "[ . 1 + . 2]"
1 113 MET 17.092 0.700 4 6 "[ +. ** 1* - *2]"
1 114 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 PRO 5.535 0.429 18 0 "[ . 1 . 2]"
1 116 ALA 5.581 0.407 19 0 "[ . 1 . 2]"
1 117 GLN 18.142 0.466 13 0 "[ . 1 . 2]"
1 118 PRO 1.328 0.329 16 0 "[ . 1 . 2]"
1 119 HIS 4.695 0.349 14 0 "[ . 1 . 2]"
1 120 PRO 0.263 0.151 5 0 "[ . 1 . 2]"
1 121 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 ARG 10.991 0.725 5 6 "[ **+ * 1 * . -]"
1 123 ARG 9.354 0.935 19 6 "[ * - *1 .** +2]"
1 124 GLY 0.182 0.053 6 0 "[ . 1 . 2]"
1 125 PHE 33.453 0.725 5 5 "[ **+ 1 * . -]"
1 126 ILE 10.776 0.365 19 0 "[ . 1 . 2]"
1 127 PRO 0.033 0.024 20 0 "[ . 1 . 2]"
1 128 ASN 5.637 0.239 7 0 "[ . 1 . 2]"
1 129 ILE 6.151 0.239 7 0 "[ . 1 . 2]"
1 130 ARG 13.098 0.352 3 0 "[ . 1 . 2]"
1 131 THR 7.425 0.224 3 0 "[ . 1 . 2]"
1 132 GLY 5.889 0.255 5 0 "[ . 1 . 2]"
1 133 ALA 22.411 0.561 19 4 "[ . * * - . +2]"
1 134 CYS 11.513 0.561 19 4 "[ . * * - . +2]"
1 135 GLN 8.270 0.423 20 0 "[ . 1 . 2]"
1 136 ASP 5.623 0.423 20 0 "[ . 1 . 2]"
1 137 VAL 41.613 0.506 1 1 "[+ . 1 . 2]"
1 138 ASP 4.288 0.601 1 3 "[+ . *1 - . 2]"
1 139 GLU 27.957 0.601 1 3 "[+ . *1 * . 2]"
1 140 CYS 6.396 0.509 1 1 "[+ . 1 . 2]"
1 141 GLN 10.862 0.509 1 1 "[+ . 1 . 2]"
1 142 ALA 18.082 0.392 6 0 "[ . 1 . 2]"
1 143 ILE 5.838 0.323 7 0 "[ . 1 . 2]"
1 144 PRO 7.347 0.639 10 6 "[ * - + * . * *]"
1 145 GLY 7.057 0.791 6 7 "[ * -+ * * . * *]"
1 146 LEU 5.376 0.791 6 1 "[ .+ 1 . 2]"
1 147 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 150 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 ASN 4.659 0.868 18 3 "[ . * 1 -. + 2]"
1 152 CYS 1.979 0.469 12 0 "[ . 1 . 2]"
1 153 ILE 24.059 0.868 18 3 "[ . 1- . + *]"
1 154 ASN 5.943 0.614 14 1 "[ . 1 +. 2]"
1 155 THR 15.587 0.324 20 0 "[ . 1 . 2]"
1 156 VAL 7.535 0.614 14 1 "[ . 1 +. 2]"
1 157 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 SER 9.076 0.469 16 0 "[ . 1 . 2]"
1 159 PHE 16.760 0.915 11 3 "[ * .- 1+ . 2]"
1 160 GLU 8.815 0.469 12 0 "[ . 1 . 2]"
1 161 CYS 8.435 0.447 14 0 "[ . 1 . 2]"
1 162 LYS 17.231 0.834 20 5 "[ . * 1* -. * +]"
1 163 CYS 10.224 0.824 13 6 "[-* *. 1* + . * 2]"
1 164 PRO 0.784 0.148 2 0 "[ . 1 . 2]"
1 165 ALA 8.947 0.477 2 0 "[ . 1 . 2]"
1 166 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 167 HIS 22.679 0.824 13 6 "[-* *. 1* + . * 2]"
1 168 LYS 2.072 0.314 18 0 "[ . 1 . 2]"
1 169 LEU 3.150 0.188 12 0 "[ . 1 . 2]"
1 170 ASN 4.933 0.678 14 2 "[ . 1 -+. 2]"
1 171 GLU 2.204 0.142 14 0 "[ . 1 . 2]"
1 172 VAL 3.530 0.152 4 0 "[ . 1 . 2]"
1 173 SER 1.646 0.152 4 0 "[ . 1 . 2]"
1 174 GLN 6.072 0.678 14 2 "[ . 1 -+. 2]"
1 175 LYS 3.948 0.293 3 0 "[ . 1 . 2]"
1 176 CYS 0.548 0.200 13 0 "[ . 1 . 2]"
1 177 GLU 9.504 0.492 15 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 9 CYS H 1 9 CYS HB3 0.000 . 3.800 3.018 2.502 3.432 . 0 0 "[ . 1 . 2]" 1
2 1 9 CYS H 1 9 CYS HB2 0.000 . 4.200 3.201 2.277 3.690 . 0 0 "[ . 1 . 2]" 1
3 1 9 CYS HB3 1 10 ASN H 0.000 . 5.000 3.266 1.932 4.013 . 0 0 "[ . 1 . 2]" 1
4 1 9 CYS HB2 1 10 ASN H 0.000 . 5.400 2.855 1.981 4.186 . 0 0 "[ . 1 . 2]" 1
5 1 9 CYS HB2 1 11 ILE H 0.000 . 5.200 4.004 2.807 5.303 0.103 20 0 "[ . 1 . 2]" 1
6 1 9 CYS HB3 1 11 ILE H 0.000 . 5.000 4.520 2.692 5.168 0.168 19 0 "[ . 1 . 2]" 1
7 1 10 ASN HB3 1 10 ASN HD22 0.000 . 4.200 3.067 2.261 3.364 . 0 0 "[ . 1 . 2]" 1
8 1 10 ASN HB2 1 10 ASN HD21 0.000 . 3.400 3.357 3.318 3.630 0.230 13 0 "[ . 1 . 2]" 1
9 1 10 ASN HB2 1 10 ASN HD22 0.000 . 3.600 2.313 2.242 2.876 . 0 0 "[ . 1 . 2]" 1
10 1 10 ASN HA 1 10 ASN HB2 0.000 . 2.800 2.541 2.303 2.833 0.033 14 0 "[ . 1 . 2]" 1
11 1 10 ASN HA 1 10 ASN HB3 0.000 . 2.800 2.680 2.298 2.837 0.037 13 0 "[ . 1 . 2]" 1
12 1 10 ASN HB2 1 11 ILE H 0.000 . 5.000 3.357 2.295 4.163 . 0 0 "[ . 1 . 2]" 1
13 1 10 ASN H 1 11 ILE HB 0.000 . 5.400 5.481 5.293 5.788 0.388 20 0 "[ . 1 . 2]" 1
14 1 10 ASN H 1 11 ILE HA 0.000 . 6.000 4.516 4.125 4.769 . 0 0 "[ . 1 . 2]" 1
15 1 10 ASN HB3 1 11 ILE MG 0.000 . 5.400 3.180 2.459 4.859 . 0 0 "[ . 1 . 2]" 1
16 1 10 ASN HB2 1 11 ILE MG 0.000 . 5.000 3.990 2.580 4.947 . 0 0 "[ . 1 . 2]" 1
17 1 10 ASN HA 1 11 ILE H 0.000 . 3.800 3.419 3.282 3.479 . 0 0 "[ . 1 . 2]" 1
18 1 10 ASN HB2 1 11 ILE MD 0.000 . 5.000 4.805 4.048 5.135 0.135 4 0 "[ . 1 . 2]" 1
19 1 10 ASN HB3 1 11 ILE MD 0.000 . 5.000 4.377 3.598 5.166 0.166 2 0 "[ . 1 . 2]" 1
20 1 10 ASN H 1 11 ILE MG 0.000 . 5.400 3.699 3.098 5.201 . 0 0 "[ . 1 . 2]" 1
21 1 10 ASN HB3 1 11 ILE H 0.000 . 5.000 2.920 2.379 3.999 . 0 0 "[ . 1 . 2]" 1
22 1 10 ASN H 1 11 ILE QG 0.000 . 5.400 4.106 3.297 4.602 . 0 0 "[ . 1 . 2]" 1
23 1 10 ASN H 1 11 ILE H 0.000 . 3.800 2.144 1.912 2.488 . 0 0 "[ . 1 . 2]" 1
24 1 10 ASN H 1 22 ASP HA 0.000 . 6.500 4.275 2.625 6.467 . 0 0 "[ . 1 . 2]" 1
25 1 10 ASN HB2 1 22 ASP HA 0.000 . 6.000 4.713 2.727 6.194 0.194 16 0 "[ . 1 . 2]" 1
26 1 10 ASN HB3 1 22 ASP HA 0.000 . 6.000 4.401 3.014 5.824 . 0 0 "[ . 1 . 2]" 1
27 1 11 ILE H 1 11 ILE QG 0.000 . 5.000 2.632 1.798 3.225 . 0 0 "[ . 1 . 2]" 1
28 1 11 ILE H 1 11 ILE HB 0.000 . 3.500 3.400 3.243 3.563 0.063 20 0 "[ . 1 . 2]" 1
29 1 11 ILE HB 1 11 ILE MD 0.000 . 3.400 2.767 2.182 3.113 . 0 0 "[ . 1 . 2]" 1
30 1 11 ILE HA 1 11 ILE MD 0.000 . 4.800 3.783 3.455 4.071 . 0 0 "[ . 1 . 2]" 1
31 1 11 ILE H 1 11 ILE MD 0.000 . 5.000 2.648 1.693 4.099 . 0 0 "[ . 1 . 2]" 1
32 1 11 ILE HA 1 11 ILE QG 0.000 . 3.500 3.208 3.057 3.332 . 0 0 "[ . 1 . 2]" 1
33 1 11 ILE H 1 11 ILE MG 0.000 . 3.800 2.280 1.800 3.676 . 0 0 "[ . 1 . 2]" 1
34 1 11 ILE HA 1 11 ILE HB 0.000 . 2.800 2.336 2.225 2.594 . 0 0 "[ . 1 . 2]" 1
35 1 11 ILE QG 1 12 ARG H 0.000 . 5.000 2.867 2.255 4.409 . 0 0 "[ . 1 . 2]" 1
36 1 11 ILE MD 1 12 ARG H 0.000 . 5.000 3.882 3.184 4.825 . 0 0 "[ . 1 . 2]" 1
37 1 11 ILE HB 1 12 ARG QD 0.000 . 2.800 3.000 2.763 3.186 0.386 10 0 "[ . 1 . 2]" 1
38 1 11 ILE H 1 12 ARG H 0.000 . 5.000 4.292 4.030 4.422 . 0 0 "[ . 1 . 2]" 1
39 1 11 ILE HA 1 12 ARG H 0.000 . 2.800 2.666 2.210 2.805 0.005 13 0 "[ . 1 . 2]" 1
40 1 11 ILE MG 1 12 ARG H 0.000 . 4.200 3.559 2.786 4.150 . 0 0 "[ . 1 . 2]" 1
41 1 11 ILE HB 1 12 ARG H 0.000 . 5.400 2.168 1.849 3.326 . 0 0 "[ . 1 . 2]" 1
42 1 11 ILE MG 1 12 ARG HA 0.000 . 6.000 5.373 4.880 5.699 . 0 0 "[ . 1 . 2]" 1
43 1 11 ILE HA 1 12 ARG QD 0.000 . 5.000 3.079 2.302 3.805 . 0 0 "[ . 1 . 2]" 1
44 1 11 ILE MG 1 12 ARG QD 0.000 . 6.000 3.829 2.485 4.262 . 0 0 "[ . 1 . 2]" 1
45 1 11 ILE MG 1 22 ASP H 0.000 . 5.000 4.963 4.480 5.215 0.215 15 0 "[ . 1 . 2]" 1
46 1 11 ILE MD 1 22 ASP HA 0.000 . 5.000 3.199 1.983 4.652 . 0 0 "[ . 1 . 2]" 1
47 1 11 ILE MD 1 22 ASP H 0.000 . 5.400 4.194 3.132 5.358 . 0 0 "[ . 1 . 2]" 1
48 1 11 ILE QG 1 22 ASP HA 0.000 . 6.000 4.147 2.542 5.241 . 0 0 "[ . 1 . 2]" 1
49 1 11 ILE HB 1 22 ASP HA 0.000 . 6.000 5.774 4.835 6.275 0.275 12 0 "[ . 1 . 2]" 1
50 1 11 ILE MG 1 22 ASP QB 0.000 . 6.500 4.060 3.013 5.921 . 0 0 "[ . 1 . 2]" 1
51 1 11 ILE MD 1 22 ASP QB 0.000 . 6.500 4.252 3.658 5.136 . 0 0 "[ . 1 . 2]" 1
52 1 11 ILE MG 1 22 ASP HA 0.000 . 6.000 3.267 2.200 4.540 . 0 0 "[ . 1 . 2]" 1
53 1 11 ILE MD 1 23 HIS HD2 0.000 . 5.000 4.900 4.229 5.173 0.173 16 0 "[ . 1 . 2]" 1
54 1 11 ILE MD 1 23 HIS HB2 0.000 . 5.000 4.400 3.417 5.073 0.073 13 0 "[ . 1 . 2]" 1
55 1 11 ILE QG 1 23 HIS HB2 0.000 . 5.400 5.294 5.062 5.689 0.289 3 0 "[ . 1 . 2]" 1
56 1 11 ILE MD 1 23 HIS HA 0.000 . 3.800 2.586 1.851 3.296 . 0 0 "[ . 1 . 2]" 1
57 1 11 ILE QG 1 23 HIS HA 0.000 . 6.000 3.388 3.092 3.789 . 0 0 "[ . 1 . 2]" 1
58 1 11 ILE HB 1 23 HIS HA 0.000 . 6.000 5.123 4.034 5.509 . 0 0 "[ . 1 . 2]" 1
59 1 11 ILE MG 1 23 HIS HA 0.000 . 6.000 3.792 2.916 5.015 . 0 0 "[ . 1 . 2]" 1
60 1 11 ILE MG 1 23 HIS QB 0.000 . 6.500 4.831 3.913 5.992 . 0 0 "[ . 1 . 2]" 1
61 1 11 ILE MG 1 23 HIS H 0.000 . 6.500 4.640 3.663 5.715 . 0 0 "[ . 1 . 2]" 1
62 1 11 ILE MD 1 23 HIS H 0.000 . 6.500 3.305 2.246 4.085 . 0 0 "[ . 1 . 2]" 1
63 1 11 ILE MD 1 24 CYS H 0.000 . 5.600 3.354 1.936 4.482 . 0 0 "[ . 1 . 2]" 1
64 1 11 ILE MD 1 33 THR HB 0.000 . 5.400 5.064 3.342 5.645 0.245 1 0 "[ . 1 . 2]" 1
65 1 12 ARG H 1 12 ARG HG2 0.000 . 4.200 3.318 2.679 4.103 . 0 0 "[ . 1 . 2]" 1
66 1 12 ARG H 1 12 ARG HB2 0.000 . 3.400 3.248 2.504 3.610 0.210 18 0 "[ . 1 . 2]" 1
67 1 12 ARG HA 1 12 ARG HG3 0.000 . 4.000 3.613 2.507 4.099 0.099 7 0 "[ . 1 . 2]" 1
68 1 12 ARG HA 1 12 ARG HG2 0.000 . 4.000 3.562 3.510 3.648 . 0 0 "[ . 1 . 2]" 1
69 1 12 ARG QB 1 12 ARG HG3 0.000 . 2.800 2.139 2.062 2.313 . 0 0 "[ . 1 . 2]" 1
70 1 12 ARG QB 1 12 ARG HG2 0.000 . 2.800 2.224 2.069 2.323 . 0 0 "[ . 1 . 2]" 1
71 1 12 ARG H 1 12 ARG QB 0.000 . 2.800 2.653 2.298 2.877 0.077 3 0 "[ . 1 . 2]" 1
72 1 12 ARG H 1 12 ARG QD 0.000 . 6.000 1.857 1.698 2.109 . 0 0 "[ . 1 . 2]" 1
73 1 12 ARG HA 1 12 ARG QB 0.000 . 2.800 2.113 2.053 2.240 . 0 0 "[ . 1 . 2]" 1
74 1 12 ARG HA 1 12 ARG QD 0.000 . 5.000 3.553 3.222 3.771 . 0 0 "[ . 1 . 2]" 1
75 1 12 ARG QB 1 12 ARG QD 0.000 . 2.800 2.448 2.216 2.777 . 0 0 "[ . 1 . 2]" 1
76 1 12 ARG HA 1 13 CYS H 0.000 . 2.800 2.282 2.165 2.420 . 0 0 "[ . 1 . 2]" 1
77 1 12 ARG HB2 1 13 CYS H 0.000 . 5.200 3.429 2.943 4.147 . 0 0 "[ . 1 . 2]" 1
78 1 12 ARG H 1 13 CYS H 0.000 . 5.000 4.262 4.040 4.410 . 0 0 "[ . 1 . 2]" 1
79 1 12 ARG QG 1 13 CYS H 0.000 . 6.500 4.057 3.555 4.425 . 0 0 "[ . 1 . 2]" 1
80 1 12 ARG HG3 1 14 MET QG 0.000 . 6.000 5.214 4.376 6.083 0.083 10 0 "[ . 1 . 2]" 1
81 1 12 ARG HG2 1 14 MET QG 0.000 . 6.000 4.781 3.752 5.612 . 0 0 "[ . 1 . 2]" 1
82 1 12 ARG QB 1 14 MET QG 0.000 . 6.000 4.242 3.448 4.887 . 0 0 "[ . 1 . 2]" 1
83 1 12 ARG QD 1 14 MET QG 0.000 . 6.000 5.832 5.142 6.201 0.201 19 0 "[ . 1 . 2]" 1
84 1 13 CYS HA 1 14 MET QG 0.000 . 6.000 4.145 3.574 4.990 . 0 0 "[ . 1 . 2]" 1
85 1 13 CYS HA 1 14 MET H 0.000 . 2.800 2.270 2.192 2.454 . 0 0 "[ . 1 . 2]" 1
86 1 13 CYS HB3 1 17 GLY H 0.000 . 5.400 3.576 3.002 4.016 . 0 0 "[ . 1 . 2]" 1
87 1 13 CYS HB3 1 18 SER H 0.000 . 5.400 4.486 4.112 5.111 . 0 0 "[ . 1 . 2]" 1
88 1 13 CYS QB 1 19 CYS HA 0.000 . 6.000 4.074 3.097 4.902 . 0 0 "[ . 1 . 2]" 1
89 1 13 CYS HA 1 34 HIS HB3 0.000 . 6.000 4.099 2.886 5.112 . 0 0 "[ . 1 . 2]" 1
90 1 13 CYS HA 1 34 HIS HB2 0.000 . 6.000 4.708 3.114 6.005 0.005 16 0 "[ . 1 . 2]" 1
91 1 13 CYS HA 1 34 HIS HA 0.000 . 6.000 3.542 2.981 4.107 . 0 0 "[ . 1 . 2]" 1
92 1 14 MET H 1 14 MET QG 0.000 . 5.000 3.193 2.441 3.729 . 0 0 "[ . 1 . 2]" 1
93 1 14 MET HA 1 14 MET QG 0.000 . 2.800 2.442 2.371 2.737 . 0 0 "[ . 1 . 2]" 1
94 1 14 MET QG 1 15 ASN H 0.000 . 4.200 4.007 3.834 4.178 . 0 0 "[ . 1 . 2]" 1
95 1 14 MET HB2 1 15 ASN H 0.000 . 3.800 3.616 3.288 3.981 0.181 16 0 "[ . 1 . 2]" 1
96 1 14 MET HA 1 15 ASN H 0.000 . 2.800 2.480 2.299 2.640 . 0 0 "[ . 1 . 2]" 1
97 1 14 MET H 1 15 ASN H 0.000 . 5.400 4.298 4.154 4.461 . 0 0 "[ . 1 . 2]" 1
98 1 14 MET HB3 1 15 ASN H 0.000 . 5.000 2.617 2.309 3.052 . 0 0 "[ . 1 . 2]" 1
99 1 14 MET ME 1 15 ASN H 0.000 . 5.400 4.608 2.207 5.438 0.038 9 0 "[ . 1 . 2]" 1
100 1 14 MET QB 1 15 ASN HD21 0.000 . 6.000 3.994 2.805 4.829 . 0 0 "[ . 1 . 2]" 1
101 1 14 MET QB 1 15 ASN HD22 0.000 . 6.500 3.987 2.191 5.200 . 0 0 "[ . 1 . 2]" 1
102 1 14 MET HA 1 16 GLY H 0.000 . 5.000 4.051 3.758 4.334 . 0 0 "[ . 1 . 2]" 1
103 1 14 MET H 1 34 HIS QB 0.000 . 6.000 3.750 3.199 4.637 . 0 0 "[ . 1 . 2]" 1
104 1 14 MET QG 1 34 HIS HB3 0.000 . 6.000 4.710 3.440 5.957 . 0 0 "[ . 1 . 2]" 1
105 1 14 MET ME 1 34 HIS HB3 0.000 . 6.000 3.906 2.059 6.033 0.033 5 0 "[ . 1 . 2]" 1
106 1 14 MET QG 1 34 HIS HB2 0.000 . 6.000 4.906 3.257 5.949 . 0 0 "[ . 1 . 2]" 1
107 1 14 MET ME 1 34 HIS HB2 0.000 . 6.000 3.846 2.038 6.064 0.064 16 0 "[ . 1 . 2]" 1
108 1 14 MET QG 1 36 GLY HA3 0.000 . 6.000 5.845 5.409 6.125 0.125 5 0 "[ . 1 . 2]" 1
109 1 14 MET HB3 1 36 GLY HA3 0.000 . 6.000 5.591 4.344 6.042 0.042 2 0 "[ . 1 . 2]" 1
110 1 14 MET HB2 1 36 GLY HA3 0.000 . 6.000 4.676 4.057 5.501 . 0 0 "[ . 1 . 2]" 1
111 1 14 MET ME 1 36 GLY HA3 0.000 . 6.000 4.010 3.095 6.045 0.045 19 0 "[ . 1 . 2]" 1
112 1 14 MET QG 1 36 GLY HA2 0.000 . 6.000 5.653 5.149 6.047 0.047 2 0 "[ . 1 . 2]" 1
113 1 14 MET HB3 1 36 GLY HA2 0.000 . 6.000 4.868 3.939 5.448 . 0 0 "[ . 1 . 2]" 1
114 1 14 MET HB2 1 36 GLY HA2 0.000 . 6.000 4.186 3.283 5.090 . 0 0 "[ . 1 . 2]" 1
115 1 14 MET ME 1 36 GLY HA2 0.000 . 6.000 4.010 3.011 5.831 . 0 0 "[ . 1 . 2]" 1
116 1 15 ASN H 1 15 ASN HA 0.000 . 2.800 2.112 2.094 2.133 . 0 0 "[ . 1 . 2]" 1
117 1 15 ASN H 1 15 ASN HD21 0.000 . 6.000 4.759 4.006 5.195 . 0 0 "[ . 1 . 2]" 1
118 1 15 ASN HA 1 16 GLY H 0.000 . 3.500 2.701 2.630 2.810 . 0 0 "[ . 1 . 2]" 1
119 1 15 ASN H 1 16 GLY H 0.000 . 4.200 2.748 2.587 2.918 . 0 0 "[ . 1 . 2]" 1
120 1 15 ASN H 1 16 GLY QA 0.000 . 6.000 4.449 4.335 4.569 . 0 0 "[ . 1 . 2]" 1
121 1 15 ASN QB 1 17 GLY H 0.000 . 6.500 4.169 3.736 4.907 . 0 0 "[ . 1 . 2]" 1
122 1 15 ASN HA 1 17 GLY H 0.000 . 6.000 4.486 4.309 4.823 . 0 0 "[ . 1 . 2]" 1
123 1 15 ASN H 1 17 GLY H 0.000 . 5.600 4.025 3.805 4.290 . 0 0 "[ . 1 . 2]" 1
124 1 15 ASN HB3 1 30 TYR QD 0.000 . 5.400 2.991 2.638 3.217 . 0 0 "[ . 1 . 2]" 1
125 1 15 ASN HA 1 30 TYR QD 0.000 . 5.200 4.986 4.677 5.230 0.030 9 0 "[ . 1 . 2]" 1
126 1 15 ASN HA 1 30 TYR QE 0.000 . 5.200 4.455 4.023 4.753 . 0 0 "[ . 1 . 2]" 1
127 1 15 ASN HB2 1 30 TYR QD 0.000 . 5.400 3.671 3.282 4.068 . 0 0 "[ . 1 . 2]" 1
128 1 15 ASN HB3 1 30 TYR QE 0.000 . 4.800 3.053 2.322 3.478 . 0 0 "[ . 1 . 2]" 1
129 1 15 ASN HD21 1 36 GLY HA3 0.000 . 6.500 4.288 2.787 5.636 . 0 0 "[ . 1 . 2]" 1
130 1 15 ASN HD22 1 36 GLY HA3 0.000 . 6.500 4.324 2.543 6.144 . 0 0 "[ . 1 . 2]" 1
131 1 15 ASN HD21 1 36 GLY HA2 0.000 . 6.500 3.059 2.397 4.534 . 0 0 "[ . 1 . 2]" 1
132 1 15 ASN HD22 1 36 GLY HA2 0.000 . 6.500 2.973 1.981 4.790 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLY HA3 1 17 GLY H 0.000 . 5.400 3.398 3.292 3.468 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLY HA2 1 17 GLY H 0.000 . 5.400 2.987 2.886 3.173 . 0 0 "[ . 1 . 2]" 1
135 1 16 GLY H 1 17 GLY HA2 0.000 . 5.400 5.017 4.873 5.151 . 0 0 "[ . 1 . 2]" 1
136 1 16 GLY H 1 17 GLY H 0.000 . 4.200 2.646 2.456 2.786 . 0 0 "[ . 1 . 2]" 1
137 1 16 GLY HA3 1 27 GLN HE21 0.000 . 5.600 4.335 2.834 5.324 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLY HA3 1 27 GLN HG3 0.000 . 5.400 2.556 1.963 3.143 . 0 0 "[ . 1 . 2]" 1
139 1 16 GLY HA3 1 27 GLN HG2 0.000 . 6.000 3.442 2.239 4.502 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLY HA2 1 27 GLN HG3 0.000 . 5.000 3.770 3.124 4.335 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLY HA2 1 27 GLN HG2 0.000 . 6.000 4.587 3.500 5.473 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLY HA3 1 27 GLN HE22 0.000 . 5.800 4.485 3.173 5.608 . 0 0 "[ . 1 . 2]" 1
143 1 16 GLY H 1 27 GLN HG3 0.000 . 5.400 4.971 4.307 5.388 . 0 0 "[ . 1 . 2]" 1
144 1 17 GLY HA2 1 18 SER H 0.000 . 3.500 2.260 2.219 2.311 . 0 0 "[ . 1 . 2]" 1
145 1 17 GLY HA3 1 18 SER H 0.000 . 3.500 3.095 2.887 3.252 . 0 0 "[ . 1 . 2]" 1
146 1 17 GLY H 1 18 SER H 0.000 . 5.200 4.376 4.269 4.465 . 0 0 "[ . 1 . 2]" 1
147 1 17 GLY HA2 1 26 CYS HA 0.000 . 5.000 2.682 1.963 3.622 . 0 0 "[ . 1 . 2]" 1
148 1 17 GLY QA 1 26 CYS HB3 0.000 . 6.000 4.546 2.464 5.872 . 0 0 "[ . 1 . 2]" 1
149 1 17 GLY HA3 1 26 CYS HA 0.000 . 5.000 3.512 2.962 4.319 . 0 0 "[ . 1 . 2]" 1
150 1 17 GLY QA 1 27 GLN H 0.000 . 6.000 3.575 3.033 4.538 . 0 0 "[ . 1 . 2]" 1
151 1 17 GLY QA 1 27 GLN HB3 0.000 . 6.000 5.947 5.112 6.402 0.402 16 0 "[ . 1 . 2]" 1
152 1 17 GLY HA2 1 27 GLN HG3 0.000 . 5.400 4.580 3.590 5.553 0.153 12 0 "[ . 1 . 2]" 1
153 1 18 SER H 1 18 SER HB3 0.000 . 3.800 3.252 2.435 3.577 . 0 0 "[ . 1 . 2]" 1
154 1 18 SER H 1 18 SER HB2 0.000 . 4.200 2.559 2.310 3.481 . 0 0 "[ . 1 . 2]" 1
155 1 18 SER HB2 1 19 CYS H 0.000 . 3.800 3.931 3.438 4.364 0.564 18 1 "[ . 1 . + 2]" 1
156 1 18 SER H 1 19 CYS H 0.000 . 5.400 4.361 4.150 4.471 . 0 0 "[ . 1 . 2]" 1
157 1 18 SER H 1 24 CYS HA 0.000 . 6.000 4.785 4.207 5.724 . 0 0 "[ . 1 . 2]" 1
158 1 18 SER HB2 1 25 LEU HB3 0.000 . 5.000 3.967 3.095 5.014 0.014 12 0 "[ . 1 . 2]" 1
159 1 18 SER H 1 25 LEU HB3 0.000 . 5.000 4.191 3.690 5.009 0.009 10 0 "[ . 1 . 2]" 1
160 1 18 SER H 1 25 LEU H 0.000 . 5.000 3.115 2.301 3.821 . 0 0 "[ . 1 . 2]" 1
161 1 18 SER QB 1 25 LEU MD2 0.000 . 6.500 4.669 4.142 5.573 . 0 0 "[ . 1 . 2]" 1
162 1 18 SER QB 1 25 LEU MD1 0.000 . 6.000 3.015 2.134 4.445 . 0 0 "[ . 1 . 2]" 1
163 1 18 SER QB 1 25 LEU QD 0.000 . 6.000 2.972 2.128 4.259 . 0 0 "[ . 1 . 2]" 1
164 1 19 CYS H 1 19 CYS HB3 0.000 . 3.600 2.670 2.323 3.313 . 0 0 "[ . 1 . 2]" 1
165 1 19 CYS H 1 19 CYS HB2 0.000 . 4.000 2.506 2.011 3.425 . 0 0 "[ . 1 . 2]" 1
166 1 19 CYS HB2 1 20 SER H 0.000 . 5.400 4.193 2.619 4.612 . 0 0 "[ . 1 . 2]" 1
167 1 19 CYS HA 1 20 SER H 0.000 . 3.200 2.268 2.149 2.379 . 0 0 "[ . 1 . 2]" 1
168 1 19 CYS QB 1 20 SER H 0.000 . 6.000 3.582 2.576 3.992 . 0 0 "[ . 1 . 2]" 1
169 1 19 CYS H 1 20 SER H 0.000 . 6.000 4.274 3.798 4.525 . 0 0 "[ . 1 . 2]" 1
170 1 19 CYS HA 1 25 LEU HG 0.000 . 6.000 5.317 4.316 6.104 0.104 19 0 "[ . 1 . 2]" 1
171 1 19 CYS HA 1 25 LEU QD 0.000 . 6.500 5.229 4.497 5.875 . 0 0 "[ . 1 . 2]" 1
172 1 19 CYS HA 1 25 LEU QB 0.000 . 6.000 5.375 4.408 6.060 0.060 19 0 "[ . 1 . 2]" 1
173 1 20 SER HA 1 20 SER QB 0.000 . 2.800 2.229 2.066 2.300 . 0 0 "[ . 1 . 2]" 1
174 1 20 SER HA 1 21 ASP H 0.000 . 2.800 2.348 2.220 2.604 . 0 0 "[ . 1 . 2]" 1
175 1 20 SER H 1 21 ASP H 0.000 . 5.400 4.184 3.818 4.395 . 0 0 "[ . 1 . 2]" 1
176 1 20 SER HB2 1 21 ASP H 0.000 . 5.000 3.780 2.112 4.385 . 0 0 "[ . 1 . 2]" 1
177 1 20 SER HA 1 22 ASP H 0.000 . 5.400 5.050 3.709 5.657 0.257 11 0 "[ . 1 . 2]" 1
178 1 20 SER H 1 22 ASP H 0.000 . 6.000 4.948 3.464 5.802 . 0 0 "[ . 1 . 2]" 1
179 1 20 SER H 1 23 HIS H 0.000 . 5.000 4.179 2.949 4.937 . 0 0 "[ . 1 . 2]" 1
180 1 20 SER H 1 23 HIS QB 0.000 . 6.000 5.607 4.933 6.044 0.044 1 0 "[ . 1 . 2]" 1
181 1 20 SER HA 1 23 HIS H 0.000 . 6.000 5.201 4.553 5.974 . 0 0 "[ . 1 . 2]" 1
182 1 20 SER QB 1 23 HIS H 0.000 . 6.000 4.028 3.039 5.662 . 0 0 "[ . 1 . 2]" 1
183 1 20 SER HB2 1 25 LEU H 0.000 . 5.400 4.407 3.663 5.480 0.080 1 0 "[ . 1 . 2]" 1
184 1 20 SER HB3 1 25 LEU MD2 0.000 . 4.800 3.852 2.266 4.824 0.024 4 0 "[ . 1 . 2]" 1
185 1 20 SER HB3 1 25 LEU H 0.000 . 5.400 4.731 3.783 5.502 0.102 4 0 "[ . 1 . 2]" 1
186 1 20 SER HA 1 25 LEU MD1 0.000 . 5.200 4.716 3.672 5.248 0.048 8 0 "[ . 1 . 2]" 1
187 1 20 SER H 1 25 LEU H 0.000 . 5.400 4.022 3.362 4.513 . 0 0 "[ . 1 . 2]" 1
188 1 20 SER HB2 1 25 LEU MD2 0.000 . 5.200 3.931 2.494 5.140 . 0 0 "[ . 1 . 2]" 1
189 1 20 SER HB3 1 25 LEU QB 0.000 . 6.000 4.849 3.692 5.844 . 0 0 "[ . 1 . 2]" 1
190 1 20 SER HB2 1 25 LEU QB 0.000 . 6.000 4.589 3.174 5.505 . 0 0 "[ . 1 . 2]" 1
191 1 20 SER HB3 1 25 LEU HG 0.000 . 5.000 3.255 2.218 4.166 . 0 0 "[ . 1 . 2]" 1
192 1 20 SER HB2 1 25 LEU HG 0.000 . 5.000 3.172 1.964 4.126 . 0 0 "[ . 1 . 2]" 1
193 1 20 SER H 1 25 LEU QD 0.000 . 6.500 4.486 3.604 5.362 . 0 0 "[ . 1 . 2]" 1
194 1 20 SER H 1 25 LEU HG 0.000 . 6.000 4.303 3.029 5.409 . 0 0 "[ . 1 . 2]" 1
195 1 21 ASP HA 1 21 ASP HB3 0.000 . 2.800 2.686 2.280 2.845 0.045 1 0 "[ . 1 . 2]" 1
196 1 21 ASP HA 1 21 ASP HB2 0.000 . 2.800 2.562 2.357 2.857 0.057 16 0 "[ . 1 . 2]" 1
197 1 21 ASP HB3 1 22 ASP H 0.000 . 4.000 2.772 1.777 4.138 0.138 7 0 "[ . 1 . 2]" 1
198 1 21 ASP HB2 1 22 ASP H 0.000 . 4.200 3.512 2.106 4.521 0.321 20 0 "[ . 1 . 2]" 1
199 1 21 ASP H 1 22 ASP H 0.000 . 5.400 3.761 2.772 4.316 . 0 0 "[ . 1 . 2]" 1
200 1 21 ASP HA 1 22 ASP H 0.000 . 4.200 3.110 2.215 3.434 . 0 0 "[ . 1 . 2]" 1
201 1 21 ASP HB3 1 23 HIS H 0.000 . 5.000 4.123 2.859 5.195 0.195 7 0 "[ . 1 . 2]" 1
202 1 21 ASP HB2 1 23 HIS H 0.000 . 5.000 4.755 3.482 5.295 0.295 20 0 "[ . 1 . 2]" 1
203 1 21 ASP HA 1 23 HIS H 0.000 . 5.000 4.745 3.808 5.172 0.172 15 0 "[ . 1 . 2]" 1
204 1 21 ASP HB2 1 23 HIS HD2 0.000 . 5.200 4.324 3.212 5.329 0.129 9 0 "[ . 1 . 2]" 1
205 1 21 ASP HB3 1 23 HIS HD2 0.000 . 5.200 3.976 2.067 5.407 0.207 11 0 "[ . 1 . 2]" 1
206 1 22 ASP HA 1 22 ASP QB 0.000 . 2.800 2.223 2.059 2.300 . 0 0 "[ . 1 . 2]" 1
207 1 22 ASP HA 1 23 HIS H 0.000 . 3.800 3.177 2.711 3.479 . 0 0 "[ . 1 . 2]" 1
208 1 22 ASP H 1 23 HIS H 0.000 . 3.400 2.441 1.886 2.817 . 0 0 "[ . 1 . 2]" 1
209 1 22 ASP QB 1 23 HIS H 0.000 . 4.200 3.403 2.598 4.031 . 0 0 "[ . 1 . 2]" 1
210 1 22 ASP H 1 23 HIS HA 0.000 . 6.000 4.668 4.125 5.205 . 0 0 "[ . 1 . 2]" 1
211 1 22 ASP H 1 23 HIS QB 0.000 . 6.000 4.595 3.942 5.226 . 0 0 "[ . 1 . 2]" 1
212 1 22 ASP QB 1 23 HIS QB 0.000 . 6.000 4.076 3.537 4.583 . 0 0 "[ . 1 . 2]" 1
213 1 23 HIS H 1 23 HIS HB2 0.000 . 3.800 3.658 3.437 3.857 0.057 10 0 "[ . 1 . 2]" 1
214 1 23 HIS HA 1 23 HIS QB 0.000 . 2.800 2.066 2.025 2.101 . 0 0 "[ . 1 . 2]" 1
215 1 23 HIS HA 1 24 CYS H 0.000 . 2.800 2.460 2.198 2.719 . 0 0 "[ . 1 . 2]" 1
216 1 23 HIS HD2 1 24 CYS HA 0.000 . 5.200 4.929 3.725 5.313 0.113 10 0 "[ . 1 . 2]" 1
217 1 23 HIS H 1 24 CYS H 0.000 . 5.200 4.210 3.808 4.409 . 0 0 "[ . 1 . 2]" 1
218 1 23 HIS HB2 1 24 CYS H 0.000 . 4.200 2.668 2.082 3.396 . 0 0 "[ . 1 . 2]" 1
219 1 23 HIS HD2 1 24 CYS H 0.000 . 6.000 4.672 3.465 5.218 . 0 0 "[ . 1 . 2]" 1
220 1 23 HIS QB 1 25 LEU QD 0.000 . 6.500 4.694 4.230 5.107 . 0 0 "[ . 1 . 2]" 1
221 1 23 HIS HD2 1 25 LEU MD2 0.000 . 4.800 4.306 3.160 4.851 0.051 11 0 "[ . 1 . 2]" 1
222 1 24 CYS HB3 1 25 LEU H 0.000 . 6.500 3.534 2.638 4.061 . 0 0 "[ . 1 . 2]" 1
223 1 24 CYS HB2 1 25 LEU H 0.000 . 6.500 3.961 2.661 4.242 . 0 0 "[ . 1 . 2]" 1
224 1 24 CYS HA 1 25 LEU H 0.000 . 3.500 2.290 2.181 2.397 . 0 0 "[ . 1 . 2]" 1
225 1 24 CYS HA 1 25 LEU QD 0.000 . 6.500 4.222 4.014 4.388 . 0 0 "[ . 1 . 2]" 1
226 1 25 LEU HA 1 25 LEU QB 0.000 . 2.800 2.243 2.200 2.284 . 0 0 "[ . 1 . 2]" 1
227 1 25 LEU QB 1 25 LEU HG 0.000 . 2.800 2.240 2.209 2.273 . 0 0 "[ . 1 . 2]" 1
228 1 25 LEU HA 1 25 LEU MD2 0.000 . 3.500 2.063 1.924 2.179 . 0 0 "[ . 1 . 2]" 1
229 1 25 LEU HA 1 25 LEU QD 0.000 . 3.500 2.054 1.918 2.166 . 0 0 "[ . 1 . 2]" 1
230 1 25 LEU HA 1 26 CYS H 0.000 . 2.800 2.246 2.206 2.300 . 0 0 "[ . 1 . 2]" 1
231 1 25 LEU HB3 1 26 CYS H 0.000 . 3.800 3.606 3.061 3.940 0.140 19 0 "[ . 1 . 2]" 1
232 1 25 LEU H 1 26 CYS H 0.000 . 6.000 4.132 3.930 4.383 . 0 0 "[ . 1 . 2]" 1
233 1 25 LEU QB 1 26 CYS H 0.000 . 5.000 3.414 2.951 3.667 . 0 0 "[ . 1 . 2]" 1
234 1 25 LEU HG 1 26 CYS H 0.000 . 6.000 5.153 5.056 5.280 . 0 0 "[ . 1 . 2]" 1
235 1 26 CYS H 1 26 CYS HB3 0.000 . 3.500 3.247 2.355 3.449 . 0 0 "[ . 1 . 2]" 1
236 1 26 CYS H 1 27 GLN H 0.000 . 5.200 4.392 3.060 4.515 . 0 0 "[ . 1 . 2]" 1
237 1 26 CYS HB3 1 27 GLN H 0.000 . 5.000 2.920 2.351 3.731 . 0 0 "[ . 1 . 2]" 1
238 1 26 CYS HA 1 27 GLN H 0.000 . 3.600 2.387 2.247 3.386 . 0 0 "[ . 1 . 2]" 1
239 1 26 CYS HB2 1 27 GLN H 0.000 . 4.000 3.680 1.908 4.098 0.098 16 0 "[ . 1 . 2]" 1
240 1 26 CYS HB3 1 30 TYR QD 0.000 . 5.600 4.494 3.927 5.639 0.039 8 0 "[ . 1 . 2]" 1
241 1 26 CYS HB2 1 30 TYR QB 0.000 . 5.000 3.736 2.703 4.300 . 0 0 "[ . 1 . 2]" 1
242 1 26 CYS HB3 1 30 TYR HA 0.000 . 6.500 4.909 4.341 6.464 . 0 0 "[ . 1 . 2]" 1
243 1 26 CYS HB3 1 30 TYR QB 0.000 . 5.000 2.705 2.100 4.128 . 0 0 "[ . 1 . 2]" 1
244 1 26 CYS HB2 1 30 TYR HA 0.000 . 6.000 5.704 4.669 6.490 0.490 16 0 "[ . 1 . 2]" 1
245 1 26 CYS HB2 1 30 TYR H 0.000 . 6.000 4.508 3.679 6.140 0.140 16 0 "[ . 1 . 2]" 1
246 1 26 CYS HA 1 30 TYR QB 0.000 . 6.000 4.108 3.699 5.551 . 0 0 "[ . 1 . 2]" 1
247 1 26 CYS HB3 1 35 CYS QB 0.000 . 6.000 3.147 2.239 4.659 . 0 0 "[ . 1 . 2]" 1
248 1 26 CYS HB2 1 35 CYS QB 0.000 . 6.000 3.965 2.531 4.851 . 0 0 "[ . 1 . 2]" 1
249 1 26 CYS HB3 1 35 CYS H 0.000 . 6.500 5.645 5.046 6.451 . 0 0 "[ . 1 . 2]" 1
250 1 26 CYS HB3 1 35 CYS HA 0.000 . 6.000 4.070 3.473 5.413 . 0 0 "[ . 1 . 2]" 1
251 1 26 CYS HB2 1 35 CYS HA 0.000 . 6.000 4.613 2.847 5.004 . 0 0 "[ . 1 . 2]" 1
252 1 27 GLN H 1 27 GLN HB2 0.000 . 4.000 2.308 2.083 2.672 . 0 0 "[ . 1 . 2]" 1
253 1 27 GLN HA 1 27 GLN HE22 0.000 . 5.600 4.750 2.989 5.615 0.015 1 0 "[ . 1 . 2]" 1
254 1 27 GLN HA 1 27 GLN HE21 0.000 . 5.600 3.802 2.235 4.631 . 0 0 "[ . 1 . 2]" 1
255 1 27 GLN HB2 1 27 GLN HE22 0.000 . 5.600 4.567 4.239 5.152 . 0 0 "[ . 1 . 2]" 1
256 1 27 GLN HE21 1 27 GLN HG2 0.000 . 3.600 2.315 2.248 2.813 . 0 0 "[ . 1 . 2]" 1
257 1 27 GLN HE22 1 27 GLN HG2 0.000 . 3.400 3.355 3.317 3.588 0.188 1 0 "[ . 1 . 2]" 1
258 1 27 GLN H 1 27 GLN HE22 0.000 . 6.000 5.809 4.577 6.493 0.493 1 0 "[ . 1 . 2]" 1
259 1 27 GLN HB3 1 27 GLN QG 0.000 . 2.800 2.259 2.185 2.324 . 0 0 "[ . 1 . 2]" 1
260 1 27 GLN HB2 1 27 GLN QG 0.000 . 2.800 2.169 2.069 2.252 . 0 0 "[ . 1 . 2]" 1
261 1 27 GLN HA 1 27 GLN HG3 0.000 . 3.500 3.074 2.394 3.543 0.043 14 0 "[ . 1 . 2]" 1
262 1 27 GLN HA 1 27 GLN HG2 0.000 . 3.500 2.583 2.282 2.993 . 0 0 "[ . 1 . 2]" 1
263 1 27 GLN H 1 27 GLN HG3 0.000 . 5.000 3.191 2.455 4.455 . 0 0 "[ . 1 . 2]" 1
264 1 27 GLN H 1 28 LYS H 0.000 . 5.200 4.447 4.145 4.535 . 0 0 "[ . 1 . 2]" 1
265 1 27 GLN HB3 1 28 LYS H 0.000 . 3.400 2.811 1.789 3.427 0.027 12 0 "[ . 1 . 2]" 1
266 1 27 GLN HA 1 28 LYS H 0.000 . 3.000 2.441 2.303 2.784 . 0 0 "[ . 1 . 2]" 1
267 1 27 GLN HB2 1 28 LYS H 0.000 . 5.400 3.823 2.807 4.105 . 0 0 "[ . 1 . 2]" 1
268 1 27 GLN HG3 1 28 LYS H 0.000 . 5.000 4.692 3.068 5.137 0.137 7 0 "[ . 1 . 2]" 1
269 1 27 GLN HB3 1 28 LYS HA 0.000 . 6.000 4.719 4.259 4.940 . 0 0 "[ . 1 . 2]" 1
270 1 27 GLN HB2 1 30 TYR QE 0.000 . 4.800 3.835 3.233 4.759 . 0 0 "[ . 1 . 2]" 1
271 1 27 GLN HB2 1 30 TYR QD 0.000 . 5.200 2.836 2.211 3.841 . 0 0 "[ . 1 . 2]" 1
272 1 27 GLN HB3 1 30 TYR QD 0.000 . 5.200 3.502 2.362 4.485 . 0 0 "[ . 1 . 2]" 1
273 1 27 GLN HG3 1 30 TYR QE 0.000 . 5.600 5.300 4.061 5.754 0.154 5 0 "[ . 1 . 2]" 1
274 1 27 GLN HG3 1 30 TYR QD 0.000 . 5.400 4.743 4.177 5.173 . 0 0 "[ . 1 . 2]" 1
275 1 27 GLN HB3 1 30 TYR QE 0.000 . 5.200 4.241 3.385 5.227 0.027 7 0 "[ . 1 . 2]" 1
276 1 27 GLN H 1 30 TYR QD 0.000 . 5.400 3.694 3.116 4.526 . 0 0 "[ . 1 . 2]" 1
277 1 27 GLN H 1 30 TYR H 0.000 . 6.000 4.547 4.064 5.065 . 0 0 "[ . 1 . 2]" 1
278 1 27 GLN HB2 1 30 TYR H 0.000 . 6.000 4.732 4.259 5.392 . 0 0 "[ . 1 . 2]" 1
279 1 27 GLN H 1 30 TYR QB 0.000 . 6.000 3.280 2.895 3.766 . 0 0 "[ . 1 . 2]" 1
280 1 28 LYS H 1 28 LYS HA 0.000 . 2.800 2.585 2.523 2.617 . 0 0 "[ . 1 . 2]" 1
281 1 28 LYS H 1 28 LYS HG2 0.000 . 5.000 4.410 4.117 4.513 . 0 0 "[ . 1 . 2]" 1
282 1 28 LYS HA 1 28 LYS HB3 0.000 . 2.800 2.798 2.779 2.840 0.040 16 0 "[ . 1 . 2]" 1
283 1 28 LYS HA 1 28 LYS HB2 0.000 . 2.800 2.279 2.205 2.431 . 0 0 "[ . 1 . 2]" 1
284 1 28 LYS H 1 28 LYS HB3 0.000 . 3.000 2.370 2.169 2.657 . 0 0 "[ . 1 . 2]" 1
285 1 28 LYS HA 1 28 LYS HG2 0.000 . 4.000 3.306 2.327 3.694 . 0 0 "[ . 1 . 2]" 1
286 1 28 LYS H 1 28 LYS HG3 0.000 . 5.000 4.307 4.168 4.512 . 0 0 "[ . 1 . 2]" 1
287 1 28 LYS HA 1 28 LYS HG3 0.000 . 4.000 3.203 2.844 3.547 . 0 0 "[ . 1 . 2]" 1
288 1 28 LYS QE 1 28 LYS HG3 0.000 . 2.800 2.463 2.314 2.779 . 0 0 "[ . 1 . 2]" 1
289 1 28 LYS QD 1 28 LYS HG3 0.000 . 2.800 2.261 2.232 2.294 . 0 0 "[ . 1 . 2]" 1
290 1 28 LYS QE 1 28 LYS HG2 0.000 . 2.800 2.505 2.311 2.855 0.055 2 0 "[ . 1 . 2]" 1
291 1 28 LYS QD 1 28 LYS HG2 0.000 . 2.800 2.252 2.221 2.276 . 0 0 "[ . 1 . 2]" 1
292 1 28 LYS HA 1 28 LYS QD 0.000 . 4.000 2.559 1.916 3.666 . 0 0 "[ . 1 . 2]" 1
293 1 28 LYS HB3 1 29 GLY H 0.000 . 3.800 4.210 3.987 4.320 0.520 19 2 "[ . - . +2]" 1
294 1 28 LYS HA 1 29 GLY H 0.000 . 4.200 2.091 2.043 2.124 . 0 0 "[ . 1 . 2]" 1
295 1 28 LYS HD3 1 29 GLY H 0.000 . 5.200 3.879 3.185 4.418 . 0 0 "[ . 1 . 2]" 1
296 1 28 LYS H 1 29 GLY H 0.000 . 5.400 4.215 4.133 4.385 . 0 0 "[ . 1 . 2]" 1
297 1 28 LYS HG3 1 29 GLY H 0.000 . 4.600 3.779 2.949 4.732 0.132 20 0 "[ . 1 . 2]" 1
298 1 28 LYS HG2 1 29 GLY H 0.000 . 4.200 4.165 3.066 4.675 0.475 13 0 "[ . 1 . 2]" 1
299 1 28 LYS HG3 1 29 GLY HA2 0.000 . 6.000 4.446 3.790 5.872 . 0 0 "[ . 1 . 2]" 1
300 1 28 LYS HG2 1 29 GLY HA2 0.000 . 6.000 5.045 3.956 5.604 . 0 0 "[ . 1 . 2]" 1
301 1 28 LYS HA 1 30 TYR H 0.000 . 5.400 3.489 3.296 4.058 . 0 0 "[ . 1 . 2]" 1
302 1 28 LYS H 1 30 TYR H 0.000 . 5.400 4.791 4.639 4.948 . 0 0 "[ . 1 . 2]" 1
303 1 28 LYS HD3 1 30 TYR H 0.000 . 5.400 5.749 5.222 6.297 0.897 16 4 "[ *- . * 1 .+ 2]" 1
304 1 28 LYS HB3 1 30 TYR H 0.000 . 5.400 5.614 5.112 5.775 0.375 13 0 "[ . 1 . 2]" 1
305 1 29 GLY H 1 29 GLY HA2 0.000 . 2.800 2.281 2.104 2.398 . 0 0 "[ . 1 . 2]" 1
306 1 29 GLY HA2 1 30 TYR H 0.000 . 3.400 3.233 3.095 3.369 . 0 0 "[ . 1 . 2]" 1
307 1 29 GLY HA3 1 30 TYR H 0.000 . 4.200 3.235 3.056 3.442 . 0 0 "[ . 1 . 2]" 1
308 1 29 GLY H 1 30 TYR H 0.000 . 2.800 2.186 1.967 2.941 0.141 16 0 "[ . 1 . 2]" 1
309 1 29 GLY HA3 1 30 TYR QD 0.000 . 5.200 4.172 3.709 4.633 . 0 0 "[ . 1 . 2]" 1
310 1 29 GLY H 1 30 TYR QB 0.000 . 6.000 4.440 4.270 5.102 . 0 0 "[ . 1 . 2]" 1
311 1 29 GLY HA3 1 30 TYR QE 0.000 . 4.800 4.858 4.630 5.013 0.213 16 0 "[ . 1 . 2]" 1
312 1 29 GLY HA2 1 39 VAL HB 0.000 . 3.500 3.000 2.718 3.292 . 0 0 "[ . 1 . 2]" 1
313 1 29 GLY HA3 1 39 VAL HB 0.000 . 4.000 4.107 4.030 4.239 0.239 5 0 "[ . 1 . 2]" 1
314 1 29 GLY H 1 39 VAL HB 0.000 . 5.400 4.721 4.212 5.288 . 0 0 "[ . 1 . 2]" 1
315 1 29 GLY HA3 1 39 VAL H 0.000 . 5.400 3.936 3.643 4.294 . 0 0 "[ . 1 . 2]" 1
316 1 29 GLY H 1 39 VAL QG 0.000 . 5.000 3.824 3.660 3.961 . 0 0 "[ . 1 . 2]" 1
317 1 29 GLY H 1 39 VAL H 0.000 . 6.000 5.398 5.087 5.712 . 0 0 "[ . 1 . 2]" 1
318 1 29 GLY HA3 1 39 VAL QG 0.000 . 5.400 2.473 2.163 2.776 . 0 0 "[ . 1 . 2]" 1
319 1 29 GLY HA2 1 39 VAL QG 0.000 . 5.400 2.031 1.879 2.198 . 0 0 "[ . 1 . 2]" 1
320 1 29 GLY HA2 1 53 PRO HB2 0.000 . 5.000 4.779 3.932 4.926 . 0 0 "[ . 1 . 2]" 1
321 1 29 GLY HA3 1 53 PRO HB3 0.000 . 3.500 2.554 1.969 3.311 . 0 0 "[ . 1 . 2]" 1
322 1 29 GLY HA2 1 53 PRO HB3 0.000 . 4.000 3.342 2.505 3.551 . 0 0 "[ . 1 . 2]" 1
323 1 29 GLY HA3 1 53 PRO HB2 0.000 . 5.000 3.734 3.133 4.317 . 0 0 "[ . 1 . 2]" 1
324 1 29 GLY HA3 1 53 PRO HA 0.000 . 5.400 4.220 3.629 5.059 . 0 0 "[ . 1 . 2]" 1
325 1 29 GLY HA2 1 53 PRO HA 0.000 . 5.000 4.648 4.053 4.979 . 0 0 "[ . 1 . 2]" 1
326 1 29 GLY H 1 53 PRO HB3 0.000 . 6.000 5.141 4.468 5.724 . 0 0 "[ . 1 . 2]" 1
327 1 29 GLY HA3 1 53 PRO HG2 0.000 . 6.000 2.986 2.731 3.324 . 0 0 "[ . 1 . 2]" 1
328 1 29 GLY HA2 1 53 PRO HG2 0.000 . 6.000 4.418 4.256 4.572 . 0 0 "[ . 1 . 2]" 1
329 1 29 GLY HA3 1 53 PRO HG3 0.000 . 3.500 2.426 2.093 2.972 . 0 0 "[ . 1 . 2]" 1
330 1 29 GLY HA2 1 53 PRO HG3 0.000 . 3.500 3.590 3.518 3.659 0.159 12 0 "[ . 1 . 2]" 1
331 1 30 TYR H 1 30 TYR QD 0.000 . 3.800 3.116 2.887 3.522 . 0 0 "[ . 1 . 2]" 1
332 1 30 TYR HA 1 30 TYR QE 0.000 . 5.200 4.477 4.302 4.560 . 0 0 "[ . 1 . 2]" 1
333 1 30 TYR H 1 30 TYR HB2 0.000 . 3.600 2.534 2.419 2.698 . 0 0 "[ . 1 . 2]" 1
334 1 30 TYR HB2 1 30 TYR QE 0.000 . 4.800 4.286 4.238 4.323 . 0 0 "[ . 1 . 2]" 1
335 1 30 TYR H 1 30 TYR QB 0.000 . 3.500 2.480 2.374 2.628 . 0 0 "[ . 1 . 2]" 1
336 1 30 TYR HB2 1 31 ILE H 0.000 . 5.000 3.848 3.469 4.022 . 0 0 "[ . 1 . 2]" 1
337 1 30 TYR H 1 31 ILE H 0.000 . 5.400 4.307 4.267 4.338 . 0 0 "[ . 1 . 2]" 1
338 1 30 TYR HA 1 31 ILE H 0.000 . 2.800 2.323 2.231 2.440 . 0 0 "[ . 1 . 2]" 1
339 1 30 TYR QD 1 31 ILE H 0.000 . 5.400 3.882 3.603 4.052 . 0 0 "[ . 1 . 2]" 1
340 1 30 TYR QE 1 35 CYS HB3 0.000 . 6.000 5.888 5.403 6.115 0.115 8 0 "[ . 1 . 2]" 1
341 1 30 TYR QD 1 35 CYS HB3 0.000 . 5.600 4.348 3.936 4.913 . 0 0 "[ . 1 . 2]" 1
342 1 30 TYR QB 1 35 CYS H 0.000 . 6.000 5.145 4.672 5.994 . 0 0 "[ . 1 . 2]" 1
343 1 30 TYR QB 1 35 CYS HA 0.000 . 6.000 3.270 2.868 4.116 . 0 0 "[ . 1 . 2]" 1
344 1 30 TYR QD 1 37 GLN HA 0.000 . 6.000 4.484 4.047 4.803 . 0 0 "[ . 1 . 2]" 1
345 1 30 TYR QE 1 37 GLN HA 0.000 . 5.600 5.548 4.714 5.833 0.233 16 0 "[ . 1 . 2]" 1
346 1 30 TYR QE 1 38 PRO HD2 0.000 . 5.200 5.168 4.719 5.705 0.505 15 1 "[ . 1 + 2]" 1
347 1 30 TYR QE 1 38 PRO HA 0.000 . 5.200 3.625 3.197 4.077 . 0 0 "[ . 1 . 2]" 1
348 1 30 TYR QE 1 38 PRO HB2 0.000 . 4.800 3.819 3.508 4.337 . 0 0 "[ . 1 . 2]" 1
349 1 30 TYR QD 1 38 PRO HA 0.000 . 5.600 2.712 2.044 3.549 . 0 0 "[ . 1 . 2]" 1
350 1 30 TYR QD 1 38 PRO HB2 0.000 . 5.600 4.303 3.941 4.855 . 0 0 "[ . 1 . 2]" 1
351 1 30 TYR QD 1 38 PRO HD2 0.000 . 5.600 4.824 4.393 5.196 . 0 0 "[ . 1 . 2]" 1
352 1 30 TYR HA 1 38 PRO HB3 0.000 . 6.000 4.477 3.914 4.845 . 0 0 "[ . 1 . 2]" 1
353 1 30 TYR HA 1 38 PRO HB2 0.000 . 6.000 5.044 4.591 5.370 . 0 0 "[ . 1 . 2]" 1
354 1 30 TYR QE 1 38 PRO QG 0.000 . 6.000 3.525 2.314 4.113 . 0 0 "[ . 1 . 2]" 1
355 1 30 TYR HA 1 38 PRO HA 0.000 . 3.500 2.508 2.126 2.666 . 0 0 "[ . 1 . 2]" 1
356 1 30 TYR QB 1 38 PRO HA 0.000 . 6.000 3.915 3.674 4.115 . 0 0 "[ . 1 . 2]" 1
357 1 30 TYR HA 1 39 VAL MG2 0.000 . 5.600 5.545 5.047 5.760 0.160 9 0 "[ . 1 . 2]" 1
358 1 30 TYR QD 1 39 VAL H 0.000 . 5.000 4.437 3.746 4.867 . 0 0 "[ . 1 . 2]" 1
359 1 30 TYR QD 1 39 VAL MG1 0.000 . 5.600 4.931 4.640 5.083 . 0 0 "[ . 1 . 2]" 1
360 1 30 TYR HA 1 39 VAL H 0.000 . 5.000 3.383 2.906 3.754 . 0 0 "[ . 1 . 2]" 1
361 1 30 TYR QE 1 39 VAL MG1 0.000 . 5.200 5.327 5.278 5.400 0.200 1 0 "[ . 1 . 2]" 1
362 1 30 TYR HA 1 39 VAL MG1 0.000 . 5.200 4.257 4.095 4.395 . 0 0 "[ . 1 . 2]" 1
363 1 30 TYR H 1 39 VAL HB 0.000 . 6.500 4.887 4.546 5.079 . 0 0 "[ . 1 . 2]" 1
364 1 30 TYR H 1 39 VAL MG2 0.000 . 6.000 5.876 5.565 6.052 0.052 9 0 "[ . 1 . 2]" 1
365 1 30 TYR QB 1 39 VAL H 0.000 . 6.000 5.113 4.699 5.420 . 0 0 "[ . 1 . 2]" 1
366 1 30 TYR QD 1 52 ALA MB 0.000 . 5.200 5.197 5.087 5.337 0.137 16 0 "[ . 1 . 2]" 1
367 1 30 TYR QE 1 52 ALA MB 0.000 . 4.800 3.629 3.473 3.750 . 0 0 "[ . 1 . 2]" 1
368 1 30 TYR QD 1 52 ALA HA 0.000 . 5.200 4.695 4.369 5.173 . 0 0 "[ . 1 . 2]" 1
369 1 30 TYR QE 1 52 ALA HA 0.000 . 4.800 3.021 2.586 3.672 . 0 0 "[ . 1 . 2]" 1
370 1 30 TYR QE 1 53 PRO HA 0.000 . 5.200 5.268 4.953 5.360 0.160 19 0 "[ . 1 . 2]" 1
371 1 30 TYR QD 1 53 PRO HA 0.000 . 6.000 5.611 5.048 5.789 . 0 0 "[ . 1 . 2]" 1
372 1 30 TYR QE 1 53 PRO HG2 0.000 . 6.000 3.330 2.734 3.991 . 0 0 "[ . 1 . 2]" 1
373 1 30 TYR QE 1 53 PRO HG3 0.000 . 6.000 3.391 3.061 3.708 . 0 0 "[ . 1 . 2]" 1
374 1 31 ILE H 1 31 ILE MG 0.000 . 3.600 2.829 2.696 2.929 . 0 0 "[ . 1 . 2]" 1
375 1 31 ILE HA 1 31 ILE MG 0.000 . 3.000 2.364 2.341 2.388 . 0 0 "[ . 1 . 2]" 1
376 1 31 ILE HB 1 31 ILE MD 0.000 . 3.000 2.403 2.353 2.435 . 0 0 "[ . 1 . 2]" 1
377 1 31 ILE HB 1 31 ILE HG13 0.000 . 2.800 2.355 2.325 2.392 . 0 0 "[ . 1 . 2]" 1
378 1 31 ILE HA 1 31 ILE HB 0.000 . 2.800 2.332 2.299 2.365 . 0 0 "[ . 1 . 2]" 1
379 1 31 ILE HG12 1 31 ILE MG 0.000 . 3.600 2.365 2.310 2.409 . 0 0 "[ . 1 . 2]" 1
380 1 31 ILE H 1 31 ILE HG12 0.000 . 3.500 2.383 2.280 2.559 . 0 0 "[ . 1 . 2]" 1
381 1 31 ILE H 1 31 ILE HG13 0.000 . 5.000 3.051 2.972 3.170 . 0 0 "[ . 1 . 2]" 1
382 1 31 ILE MD 1 32 GLY HA2 0.000 . 5.400 4.598 4.343 4.815 . 0 0 "[ . 1 . 2]" 1
383 1 31 ILE HG13 1 32 GLY HA2 0.000 . 5.400 3.919 3.701 4.106 . 0 0 "[ . 1 . 2]" 1
384 1 31 ILE HB 1 32 GLY HA2 0.000 . 5.000 4.084 4.003 4.171 . 0 0 "[ . 1 . 2]" 1
385 1 31 ILE HB 1 32 GLY HA3 0.000 . 5.000 4.419 4.340 4.508 . 0 0 "[ . 1 . 2]" 1
386 1 31 ILE MG 1 32 GLY H 0.000 . 4.200 3.647 3.556 3.773 . 0 0 "[ . 1 . 2]" 1
387 1 31 ILE HG12 1 32 GLY H 0.000 . 5.000 4.114 3.800 4.397 . 0 0 "[ . 1 . 2]" 1
388 1 31 ILE HA 1 32 GLY H 0.000 . 3.600 2.650 2.530 2.809 . 0 0 "[ . 1 . 2]" 1
389 1 31 ILE HA 1 32 GLY HA2 0.000 . 5.400 4.643 4.583 4.729 . 0 0 "[ . 1 . 2]" 1
390 1 31 ILE HG13 1 32 GLY H 0.000 . 5.000 3.017 2.608 3.395 . 0 0 "[ . 1 . 2]" 1
391 1 31 ILE HB 1 32 GLY H 0.000 . 2.800 2.154 1.993 2.380 . 0 0 "[ . 1 . 2]" 1
392 1 31 ILE HG12 1 32 GLY HA2 0.000 . 5.400 5.365 5.171 5.512 0.112 6 0 "[ . 1 . 2]" 1
393 1 31 ILE H 1 32 GLY H 0.000 . 5.400 4.227 4.156 4.313 . 0 0 "[ . 1 . 2]" 1
394 1 31 ILE H 1 35 CYS HA 0.000 . 5.400 3.818 3.363 4.405 . 0 0 "[ . 1 . 2]" 1
395 1 31 ILE MD 1 37 GLN HE21 0.000 . 5.200 2.480 2.155 3.181 . 0 0 "[ . 1 . 2]" 1
396 1 31 ILE MD 1 37 GLN HG3 0.000 . 3.800 3.332 2.835 3.865 0.065 15 0 "[ . 1 . 2]" 1
397 1 31 ILE HG12 1 37 GLN HE21 0.000 . 5.600 2.362 1.838 3.026 . 0 0 "[ . 1 . 2]" 1
398 1 31 ILE HG12 1 37 GLN HE22 0.000 . 5.800 3.564 2.924 4.093 . 0 0 "[ . 1 . 2]" 1
399 1 31 ILE MD 1 37 GLN HE22 0.000 . 5.000 3.195 2.601 3.643 . 0 0 "[ . 1 . 2]" 1
400 1 31 ILE H 1 37 GLN H 0.000 . 5.000 3.076 2.751 3.328 . 0 0 "[ . 1 . 2]" 1
401 1 31 ILE H 1 37 GLN HA 0.000 . 6.000 4.532 4.279 4.630 . 0 0 "[ . 1 . 2]" 1
402 1 31 ILE H 1 37 GLN QG 0.000 . 6.000 5.020 4.570 5.273 . 0 0 "[ . 1 . 2]" 1
403 1 31 ILE HG13 1 37 GLN HB3 0.000 . 4.000 2.093 1.971 2.222 . 0 0 "[ . 1 . 2]" 1
404 1 31 ILE HG13 1 37 GLN HB2 0.000 . 4.000 3.013 2.737 3.281 . 0 0 "[ . 1 . 2]" 1
405 1 31 ILE HG12 1 37 GLN HB3 0.000 . 5.000 2.204 1.998 2.386 . 0 0 "[ . 1 . 2]" 1
406 1 31 ILE HG12 1 37 GLN HB2 0.000 . 5.000 3.631 3.415 3.844 . 0 0 "[ . 1 . 2]" 1
407 1 31 ILE HG13 1 37 GLN QG 0.000 . 4.000 3.529 3.093 3.810 . 0 0 "[ . 1 . 2]" 1
408 1 31 ILE HG12 1 37 GLN QG 0.000 . 5.000 3.867 3.354 4.155 . 0 0 "[ . 1 . 2]" 1
409 1 31 ILE MG 1 37 GLN QG 0.000 . 6.500 5.311 4.890 5.585 . 0 0 "[ . 1 . 2]" 1
410 1 31 ILE HG13 1 37 GLN H 0.000 . 6.000 3.959 3.754 4.238 . 0 0 "[ . 1 . 2]" 1
411 1 31 ILE MG 1 38 PRO QD 0.000 . 6.000 6.069 6.030 6.112 0.112 7 0 "[ . 1 . 2]" 1
412 1 31 ILE MD 1 38 PRO QD 0.000 . 6.500 5.386 5.020 5.747 . 0 0 "[ . 1 . 2]" 1
413 1 31 ILE H 1 39 VAL H 0.000 . 6.000 4.965 4.571 5.450 . 0 0 "[ . 1 . 2]" 1
414 1 32 GLY HA2 1 33 THR H 0.000 . 4.600 2.507 2.384 2.677 . 0 0 "[ . 1 . 2]" 1
415 1 32 GLY H 1 33 THR H 0.000 . 5.600 4.287 4.156 4.426 . 0 0 "[ . 1 . 2]" 1
416 1 32 GLY HA3 1 33 THR H 0.000 . 5.200 2.700 2.482 2.879 . 0 0 "[ . 1 . 2]" 1
417 1 32 GLY HA3 1 35 CYS H 0.000 . 6.000 3.322 2.892 3.734 . 0 0 "[ . 1 . 2]" 1
418 1 32 GLY HA2 1 35 CYS H 0.000 . 6.000 4.400 4.012 4.828 . 0 0 "[ . 1 . 2]" 1
419 1 32 GLY H 1 35 CYS HA 0.000 . 6.000 4.481 4.040 4.876 . 0 0 "[ . 1 . 2]" 1
420 1 32 GLY HA3 1 37 GLN QG 0.000 . 6.000 5.091 4.356 5.482 . 0 0 "[ . 1 . 2]" 1
421 1 32 GLY HA2 1 37 GLN QG 0.000 . 6.000 5.620 4.884 6.025 0.025 11 0 "[ . 1 . 2]" 1
422 1 32 GLY QA 1 37 GLN H 0.000 . 6.000 3.751 3.473 4.063 . 0 0 "[ . 1 . 2]" 1
423 1 33 THR HA 1 34 HIS H 0.000 . 5.600 3.423 3.305 3.485 . 0 0 "[ . 1 . 2]" 1
424 1 33 THR H 1 34 HIS H 0.000 . 6.000 2.608 2.526 2.767 . 0 0 "[ . 1 . 2]" 1
425 1 33 THR MG 1 34 HIS HA 0.000 . 6.500 5.288 4.218 5.465 . 0 0 "[ . 1 . 2]" 1
426 1 33 THR HA 1 35 CYS H 0.000 . 5.400 3.948 3.800 4.144 . 0 0 "[ . 1 . 2]" 1
427 1 34 HIS HA 1 35 CYS H 0.000 . 5.000 3.121 2.872 3.262 . 0 0 "[ . 1 . 2]" 1
428 1 35 CYS H 1 35 CYS HA 0.000 . 2.800 2.112 2.056 2.136 . 0 0 "[ . 1 . 2]" 1
429 1 35 CYS H 1 36 GLY H 0.000 . 4.000 2.863 2.587 4.340 0.340 6 0 "[ . 1 . 2]" 1
430 1 35 CYS HA 1 36 GLY H 0.000 . 6.000 2.841 2.276 3.141 . 0 0 "[ . 1 . 2]" 1
431 1 35 CYS H 1 37 GLN H 0.000 . 5.400 4.525 4.198 5.019 . 0 0 "[ . 1 . 2]" 1
432 1 35 CYS HB2 1 37 GLN H 0.000 . 5.400 5.473 4.810 5.740 0.340 8 0 "[ . 1 . 2]" 1
433 1 35 CYS HB3 1 37 GLN H 0.000 . 5.400 4.976 4.079 5.369 . 0 0 "[ . 1 . 2]" 1
434 1 35 CYS HA 1 37 GLN H 0.000 . 5.000 3.475 3.237 3.643 . 0 0 "[ . 1 . 2]" 1
435 1 36 GLY H 1 37 GLN H 0.000 . 3.500 2.552 2.050 3.232 . 0 0 "[ . 1 . 2]" 1
436 1 36 GLY HA2 1 37 GLN H 0.000 . 5.400 3.273 3.183 3.491 . 0 0 "[ . 1 . 2]" 1
437 1 36 GLY HA3 1 37 GLN H 0.000 . 5.000 3.248 2.912 3.376 . 0 0 "[ . 1 . 2]" 1
438 1 37 GLN H 1 37 GLN HG3 0.000 . 5.000 4.599 4.454 4.746 . 0 0 "[ . 1 . 2]" 1
439 1 37 GLN HA 1 37 GLN QB 0.000 . 2.800 2.364 2.324 2.391 . 0 0 "[ . 1 . 2]" 1
440 1 37 GLN HA 1 37 GLN QG 0.000 . 3.500 2.367 2.146 2.638 . 0 0 "[ . 1 . 2]" 1
441 1 37 GLN HA 1 37 GLN HE22 0.000 . 5.400 4.223 3.952 4.564 . 0 0 "[ . 1 . 2]" 1
442 1 37 GLN HE22 1 37 GLN HG3 0.000 . 4.000 3.619 3.374 3.898 . 0 0 "[ . 1 . 2]" 1
443 1 37 GLN HA 1 37 GLN HE21 0.000 . 5.600 3.573 3.102 4.171 . 0 0 "[ . 1 . 2]" 1
444 1 37 GLN HE22 1 38 PRO HD2 0.000 . 5.000 3.774 3.150 4.597 . 0 0 "[ . 1 . 2]" 1
445 1 37 GLN HE21 1 38 PRO HD2 0.000 . 4.600 3.925 2.865 4.581 . 0 0 "[ . 1 . 2]" 1
446 1 37 GLN HE21 1 38 PRO HG2 0.000 . 5.600 5.269 4.234 5.687 0.087 18 0 "[ . 1 . 2]" 1
447 1 37 GLN HE22 1 38 PRO HG2 0.000 . 5.400 4.699 4.229 5.515 0.115 9 0 "[ . 1 . 2]" 1
448 1 37 GLN HB3 1 38 PRO HD2 0.000 . 5.000 4.290 4.014 4.485 . 0 0 "[ . 1 . 2]" 1
449 1 37 GLN HA 1 38 PRO HD2 0.000 . 5.400 2.285 2.081 2.610 . 0 0 "[ . 1 . 2]" 1
450 1 37 GLN HA 1 38 PRO QG 0.000 . 4.000 3.834 3.696 3.928 . 0 0 "[ . 1 . 2]" 1
451 1 37 GLN HA 1 38 PRO QD 0.000 . 2.800 1.957 1.854 2.041 . 0 0 "[ . 1 . 2]" 1
452 1 37 GLN QG 1 38 PRO QD 0.000 . 5.000 3.188 2.424 3.684 . 0 0 "[ . 1 . 2]" 1
453 1 37 GLN HE22 1 39 VAL HB 0.000 . 5.400 5.103 4.515 5.447 0.047 18 0 "[ . 1 . 2]" 1
454 1 37 GLN HE21 1 39 VAL HB 0.000 . 5.400 5.295 4.930 5.511 0.111 19 0 "[ . 1 . 2]" 1
455 1 37 GLN QG 1 39 VAL HA 0.000 . 6.000 6.065 5.859 6.178 0.178 17 0 "[ . 1 . 2]" 1
456 1 38 PRO HA 1 39 VAL H 0.000 . 2.800 2.217 2.130 2.333 . 0 0 "[ . 1 . 2]" 1
457 1 38 PRO HB3 1 39 VAL H 0.000 . 5.600 3.793 3.504 3.968 . 0 0 "[ . 1 . 2]" 1
458 1 38 PRO HB2 1 39 VAL H 0.000 . 5.200 3.223 3.023 3.502 . 0 0 "[ . 1 . 2]" 1
459 1 38 PRO QG 1 50 CYS QB 0.000 . 6.000 2.499 2.082 3.665 . 0 0 "[ . 1 . 2]" 1
460 1 38 PRO QD 1 50 CYS QB 0.000 . 6.000 3.370 2.300 4.885 . 0 0 "[ . 1 . 2]" 1
461 1 38 PRO QB 1 51 VAL H 0.000 . 6.000 4.371 3.710 4.849 . 0 0 "[ . 1 . 2]" 1
462 1 38 PRO QB 1 51 VAL HA 0.000 . 6.000 4.346 3.829 4.775 . 0 0 "[ . 1 . 2]" 1
463 1 38 PRO QG 1 51 VAL HA 0.000 . 3.500 2.912 2.591 3.558 0.058 8 0 "[ . 1 . 2]" 1
464 1 38 PRO QD 1 51 VAL HA 0.000 . 6.000 4.327 3.870 5.075 . 0 0 "[ . 1 . 2]" 1
465 1 38 PRO QG 1 51 VAL H 0.000 . 6.000 3.654 3.222 4.348 . 0 0 "[ . 1 . 2]" 1
466 1 38 PRO HB3 1 52 ALA H 0.000 . 6.000 4.237 3.760 4.696 . 0 0 "[ . 1 . 2]" 1
467 1 38 PRO HB2 1 52 ALA H 0.000 . 6.000 3.678 3.313 4.093 . 0 0 "[ . 1 . 2]" 1
468 1 38 PRO HB3 1 52 ALA HA 0.000 . 5.000 2.416 2.218 2.690 . 0 0 "[ . 1 . 2]" 1
469 1 38 PRO HB2 1 52 ALA HA 0.000 . 5.000 2.783 2.465 3.202 . 0 0 "[ . 1 . 2]" 1
470 1 38 PRO QG 1 52 ALA H 0.000 . 6.000 3.576 3.246 4.045 . 0 0 "[ . 1 . 2]" 1
471 1 38 PRO QG 1 52 ALA HA 0.000 . 5.000 3.177 2.939 3.549 . 0 0 "[ . 1 . 2]" 1
472 1 38 PRO HB2 1 53 PRO HB2 0.000 . 5.400 5.593 5.395 6.087 0.687 6 4 "[ *+ 1 . -* 2]" 1
473 1 38 PRO HB3 1 53 PRO HD3 0.000 . 5.400 3.019 2.585 3.552 . 0 0 "[ . 1 . 2]" 1
474 1 38 PRO HB2 1 53 PRO HD3 0.000 . 6.000 3.505 2.990 4.321 . 0 0 "[ . 1 . 2]" 1
475 1 38 PRO HB3 1 53 PRO HA 0.000 . 6.000 4.278 3.706 4.666 . 0 0 "[ . 1 . 2]" 1
476 1 38 PRO HB2 1 53 PRO HA 0.000 . 5.400 3.356 3.068 3.702 . 0 0 "[ . 1 . 2]" 1
477 1 38 PRO QG 1 53 PRO HA 0.000 . 6.000 4.942 4.692 5.335 . 0 0 "[ . 1 . 2]" 1
478 1 39 VAL H 1 39 VAL HB 0.000 . 2.800 2.487 2.323 2.633 . 0 0 "[ . 1 . 2]" 1
479 1 39 VAL HA 1 39 VAL MG1 0.000 . 2.800 3.103 3.093 3.111 0.311 5 0 "[ . 1 . 2]" 1
480 1 39 VAL H 1 40 CYS H 0.000 . 5.400 4.195 4.045 4.327 . 0 0 "[ . 1 . 2]" 1
481 1 39 VAL HA 1 40 CYS HB3 0.000 . 5.400 5.410 5.184 5.519 0.119 12 0 "[ . 1 . 2]" 1
482 1 39 VAL HB 1 40 CYS H 0.000 . 5.400 4.378 4.293 4.471 . 0 0 "[ . 1 . 2]" 1
483 1 39 VAL HA 1 40 CYS H 0.000 . 2.800 2.204 2.161 2.257 . 0 0 "[ . 1 . 2]" 1
484 1 39 VAL HA 1 40 CYS HB2 0.000 . 5.400 4.976 4.445 5.411 0.011 19 0 "[ . 1 . 2]" 1
485 1 39 VAL QG 1 40 CYS H 0.000 . 3.400 3.080 2.834 3.212 . 0 0 "[ . 1 . 2]" 1
486 1 39 VAL HA 1 40 CYS HA 0.000 . 6.000 4.313 4.283 4.350 . 0 0 "[ . 1 . 2]" 1
487 1 39 VAL QG 1 40 CYS HA 0.000 . 6.000 3.743 3.603 3.820 . 0 0 "[ . 1 . 2]" 1
488 1 39 VAL MG2 1 41 GLU HA 0.000 . 5.200 2.893 2.538 3.237 . 0 0 "[ . 1 . 2]" 1
489 1 39 VAL MG2 1 41 GLU HG3 0.000 . 3.600 2.670 2.243 3.235 . 0 0 "[ . 1 . 2]" 1
490 1 39 VAL MG2 1 41 GLU HG2 0.000 . 3.600 3.340 2.236 3.688 0.088 9 0 "[ . 1 . 2]" 1
491 1 39 VAL HB 1 41 GLU HA 0.000 . 6.000 5.817 5.438 6.093 0.093 15 0 "[ . 1 . 2]" 1
492 1 39 VAL QG 1 41 GLU HA 0.000 . 4.000 2.847 2.512 3.127 . 0 0 "[ . 1 . 2]" 1
493 1 39 VAL QG 1 41 GLU QB 0.000 . 6.000 3.331 2.772 3.720 . 0 0 "[ . 1 . 2]" 1
494 1 39 VAL QG 1 41 GLU H 0.000 . 3.800 2.965 2.554 3.659 . 0 0 "[ . 1 . 2]" 1
495 1 39 VAL MG1 1 42 SER H 0.000 . 6.500 5.993 5.407 6.366 . 0 0 "[ . 1 . 2]" 1
496 1 39 VAL QG 1 50 CYS QB 0.000 . 6.500 5.011 4.501 6.217 . 0 0 "[ . 1 . 2]" 1
497 1 39 VAL H 1 53 PRO HA 0.000 . 5.000 2.869 2.670 3.000 . 0 0 "[ . 1 . 2]" 1
498 1 39 VAL H 1 53 PRO HB3 0.000 . 6.000 3.812 3.546 4.060 . 0 0 "[ . 1 . 2]" 1
499 1 39 VAL H 1 53 PRO HG2 0.000 . 6.500 4.888 4.360 5.323 . 0 0 "[ . 1 . 2]" 1
500 1 39 VAL QG 1 53 PRO HA 0.000 . 6.500 2.258 2.021 2.658 . 0 0 "[ . 1 . 2]" 1
501 1 39 VAL QG 1 53 PRO HB3 0.000 . 6.500 2.144 1.954 2.422 . 0 0 "[ . 1 . 2]" 1
502 1 39 VAL H 1 54 ASN H 0.000 . 6.500 4.350 4.110 4.623 . 0 0 "[ . 1 . 2]" 1
503 1 40 CYS H 1 40 CYS HB2 0.000 . 3.500 2.808 2.233 3.229 . 0 0 "[ . 1 . 2]" 1
504 1 40 CYS H 1 40 CYS HB3 0.000 . 3.800 3.265 3.027 3.334 . 0 0 "[ . 1 . 2]" 1
505 1 40 CYS HA 1 40 CYS HB3 0.000 . 2.800 2.194 2.156 2.392 . 0 0 "[ . 1 . 2]" 1
506 1 40 CYS HB3 1 41 GLU H 0.000 . 5.000 4.189 3.594 4.390 . 0 0 "[ . 1 . 2]" 1
507 1 40 CYS HB2 1 41 GLU H 0.000 . 4.200 4.192 3.915 4.389 0.189 12 0 "[ . 1 . 2]" 1
508 1 40 CYS HA 1 41 GLU HA 0.000 . 5.400 4.380 4.202 4.486 . 0 0 "[ . 1 . 2]" 1
509 1 40 CYS HA 1 41 GLU H 0.000 . 2.800 2.363 2.170 2.498 . 0 0 "[ . 1 . 2]" 1
510 1 40 CYS HA 1 41 GLU QB 0.000 . 6.000 4.195 4.020 4.551 . 0 0 "[ . 1 . 2]" 1
511 1 40 CYS HB3 1 42 SER H 0.000 . 5.400 5.219 4.346 5.478 0.078 16 0 "[ . 1 . 2]" 1
512 1 40 CYS HB2 1 42 SER H 0.000 . 5.400 5.246 4.586 5.452 0.052 15 0 "[ . 1 . 2]" 1
513 1 40 CYS HA 1 42 SER H 0.000 . 6.000 4.382 4.091 4.604 . 0 0 "[ . 1 . 2]" 1
514 1 40 CYS HB2 1 43 GLY H 0.000 . 5.200 3.881 3.354 4.581 . 0 0 "[ . 1 . 2]" 1
515 1 40 CYS HB3 1 43 GLY H 0.000 . 5.000 4.280 3.708 4.939 . 0 0 "[ . 1 . 2]" 1
516 1 40 CYS HA 1 43 GLY H 0.000 . 5.600 4.517 4.090 5.237 . 0 0 "[ . 1 . 2]" 1
517 1 40 CYS HB3 1 43 GLY QA 0.000 . 6.000 4.098 3.338 4.883 . 0 0 "[ . 1 . 2]" 1
518 1 40 CYS HB2 1 43 GLY QA 0.000 . 6.000 3.661 2.953 4.494 . 0 0 "[ . 1 . 2]" 1
519 1 40 CYS HB2 1 44 CYS H 0.000 . 5.400 3.913 2.870 5.533 0.133 7 0 "[ . 1 . 2]" 1
520 1 40 CYS HB3 1 44 CYS H 0.000 . 5.000 3.741 3.044 5.060 0.060 4 0 "[ . 1 . 2]" 1
521 1 40 CYS HA 1 54 ASN HA 0.000 . 2.800 3.014 2.425 3.179 0.379 15 0 "[ . 1 . 2]" 1
522 1 40 CYS HA 1 54 ASN H 0.000 . 5.000 2.930 1.930 3.266 . 0 0 "[ . 1 . 2]" 1
523 1 40 CYS HA 1 54 ASN HB3 0.000 . 6.000 5.702 4.964 5.911 . 0 0 "[ . 1 . 2]" 1
524 1 40 CYS HA 1 54 ASN HB2 0.000 . 6.000 4.992 4.261 5.332 . 0 0 "[ . 1 . 2]" 1
525 1 40 CYS HB3 1 54 ASN HA 0.000 . 5.000 4.754 3.859 4.988 . 0 0 "[ . 1 . 2]" 1
526 1 40 CYS HB2 1 54 ASN HA 0.000 . 6.000 5.486 4.908 5.808 . 0 0 "[ . 1 . 2]" 1
527 1 41 GLU H 1 41 GLU HG2 0.000 . 4.200 3.843 2.954 4.133 . 0 0 "[ . 1 . 2]" 1
528 1 41 GLU H 1 41 GLU QB 0.000 . 2.800 2.076 1.940 2.417 . 0 0 "[ . 1 . 2]" 1
529 1 41 GLU H 1 41 GLU HG3 0.000 . 3.500 3.022 2.124 3.435 . 0 0 "[ . 1 . 2]" 1
530 1 41 GLU QB 1 41 GLU HG2 0.000 . 2.800 2.246 2.193 2.296 . 0 0 "[ . 1 . 2]" 1
531 1 41 GLU HA 1 41 GLU HG2 0.000 . 2.800 2.471 2.362 2.579 . 0 0 "[ . 1 . 2]" 1
532 1 41 GLU HA 1 41 GLU HG3 0.000 . 3.500 2.626 2.408 3.144 . 0 0 "[ . 1 . 2]" 1
533 1 41 GLU HA 1 41 GLU QB 0.000 . 2.800 2.387 2.280 2.417 . 0 0 "[ . 1 . 2]" 1
534 1 41 GLU HB2 1 41 GLU HG3 0.000 . 2.800 2.350 2.283 2.417 . 0 0 "[ . 1 . 2]" 1
535 1 41 GLU QB 1 41 GLU HG3 0.000 . 2.800 2.239 2.190 2.285 . 0 0 "[ . 1 . 2]" 1
536 1 41 GLU HA 1 42 SER HA 0.000 . 5.400 4.446 4.394 4.503 . 0 0 "[ . 1 . 2]" 1
537 1 41 GLU HA 1 42 SER H 0.000 . 3.500 3.482 3.460 3.506 0.006 5 0 "[ . 1 . 2]" 1
538 1 41 GLU H 1 42 SER H 0.000 . 3.400 3.060 2.602 3.181 . 0 0 "[ . 1 . 2]" 1
539 1 41 GLU HG2 1 42 SER H 0.000 . 5.000 4.687 4.504 4.953 . 0 0 "[ . 1 . 2]" 1
540 1 41 GLU QB 1 42 SER H 0.000 . 3.200 2.421 2.315 2.638 . 0 0 "[ . 1 . 2]" 1
541 1 41 GLU HG3 1 42 SER H 0.000 . 5.000 4.754 4.383 4.949 . 0 0 "[ . 1 . 2]" 1
542 1 41 GLU QB 1 42 SER HA 0.000 . 5.000 3.643 3.470 3.794 . 0 0 "[ . 1 . 2]" 1
543 1 41 GLU HA 1 43 GLY H 0.000 . 5.000 4.001 3.807 4.224 . 0 0 "[ . 1 . 2]" 1
544 1 41 GLU H 1 43 GLY H 0.000 . 5.400 4.176 3.980 4.402 . 0 0 "[ . 1 . 2]" 1
545 1 41 GLU QB 1 43 GLY H 0.000 . 6.000 4.271 4.136 4.396 . 0 0 "[ . 1 . 2]" 1
546 1 41 GLU H 1 53 PRO HA 0.000 . 6.500 4.611 4.289 5.121 . 0 0 "[ . 1 . 2]" 1
547 1 41 GLU HG3 1 54 ASN HD22 0.000 . 5.000 4.282 3.165 5.030 0.030 7 0 "[ . 1 . 2]" 1
548 1 41 GLU HB3 1 54 ASN HD21 0.000 . 5.000 3.059 2.743 3.759 . 0 0 "[ . 1 . 2]" 1
549 1 41 GLU H 1 54 ASN HA 0.000 . 4.200 2.609 2.112 3.172 . 0 0 "[ . 1 . 2]" 1
550 1 41 GLU QB 1 54 ASN HD21 0.000 . 5.400 2.688 2.377 2.927 . 0 0 "[ . 1 . 2]" 1
551 1 41 GLU HB3 1 54 ASN HD22 0.000 . 5.000 3.156 2.467 3.787 . 0 0 "[ . 1 . 2]" 1
552 1 41 GLU HG3 1 54 ASN HD21 0.000 . 5.800 4.976 3.970 5.419 . 0 0 "[ . 1 . 2]" 1
553 1 41 GLU QB 1 54 ASN HD22 0.000 . 5.000 2.592 1.794 3.149 . 0 0 "[ . 1 . 2]" 1
554 1 41 GLU HG2 1 54 ASN HD22 0.000 . 5.000 4.549 3.892 5.042 0.042 9 0 "[ . 1 . 2]" 1
555 1 41 GLU HG2 1 54 ASN HD21 0.000 . 5.000 4.968 4.853 5.358 0.358 11 0 "[ . 1 . 2]" 1
556 1 42 SER H 1 42 SER HB2 0.000 . 3.000 2.441 2.340 3.305 0.305 15 0 "[ . 1 . 2]" 1
557 1 42 SER HA 1 42 SER QB 0.000 . 2.800 2.243 2.116 2.270 . 0 0 "[ . 1 . 2]" 1
558 1 42 SER H 1 42 SER HB3 0.000 . 3.400 3.350 2.711 3.411 0.011 13 0 "[ . 1 . 2]" 1
559 1 42 SER HB3 1 43 GLY H 0.000 . 5.000 4.344 4.276 4.623 . 0 0 "[ . 1 . 2]" 1
560 1 42 SER HB2 1 43 GLY H 0.000 . 5.400 3.827 3.681 4.316 . 0 0 "[ . 1 . 2]" 1
561 1 42 SER H 1 43 GLY H 0.000 . 3.400 2.638 2.494 3.082 . 0 0 "[ . 1 . 2]" 1
562 1 42 SER HA 1 43 GLY H 0.000 . 3.500 3.033 2.935 3.085 . 0 0 "[ . 1 . 2]" 1
563 1 42 SER H 1 43 GLY QA 0.000 . 6.000 4.270 4.149 4.640 . 0 0 "[ . 1 . 2]" 1
564 1 42 SER H 1 44 CYS H 0.000 . 5.400 5.569 3.638 5.756 0.356 1 0 "[ . 1 . 2]" 1
565 1 42 SER HB2 1 66 GLN HG3 0.000 . 5.000 3.483 2.156 4.730 . 0 0 "[ . 1 . 2]" 1
566 1 42 SER HB2 1 66 GLN HG2 0.000 . 5.000 4.268 3.690 4.908 . 0 0 "[ . 1 . 2]" 1
567 1 42 SER HB3 1 66 GLN HE22 0.000 . 5.600 3.054 2.405 4.086 . 0 0 "[ . 1 . 2]" 1
568 1 42 SER HB3 1 66 GLN HE21 0.000 . 5.200 3.232 2.536 4.382 . 0 0 "[ . 1 . 2]" 1
569 1 42 SER HB2 1 66 GLN HE22 0.000 . 5.200 3.532 2.788 4.631 . 0 0 "[ . 1 . 2]" 1
570 1 42 SER HB3 1 66 GLN HG2 0.000 . 5.000 4.792 3.797 5.114 0.114 11 0 "[ . 1 . 2]" 1
571 1 42 SER HB3 1 66 GLN HG3 0.000 . 5.000 4.328 2.545 5.036 0.036 8 0 "[ . 1 . 2]" 1
572 1 42 SER HB2 1 66 GLN HE21 0.000 . 5.200 3.327 2.839 4.939 . 0 0 "[ . 1 . 2]" 1
573 1 43 GLY H 1 43 GLY HA2 0.000 . 2.800 2.143 2.115 2.231 . 0 0 "[ . 1 . 2]" 1
574 1 43 GLY H 1 43 GLY HA3 0.000 . 2.800 2.639 2.607 2.703 . 0 0 "[ . 1 . 2]" 1
575 1 43 GLY HA3 1 44 CYS H 0.000 . 2.800 2.958 2.034 3.132 0.332 5 0 "[ . 1 . 2]" 1
576 1 43 GLY H 1 44 CYS H 0.000 . 3.800 3.682 2.713 3.994 0.194 7 0 "[ . 1 . 2]" 1
577 1 43 GLY HA2 1 44 CYS H 0.000 . 2.800 2.297 2.113 3.237 0.437 15 0 "[ . 1 . 2]" 1
578 1 43 GLY HA2 1 45 LEU QD 0.000 . 6.500 4.495 4.269 4.807 . 0 0 "[ . 1 . 2]" 1
579 1 43 GLY HA3 1 45 LEU QD 0.000 . 6.500 3.610 3.459 3.802 . 0 0 "[ . 1 . 2]" 1
580 1 44 CYS H 1 44 CYS QB 0.000 . 3.500 2.383 2.103 3.107 . 0 0 "[ . 1 . 2]" 1
581 1 44 CYS H 1 44 CYS HB2 0.000 . 3.800 2.445 2.154 3.286 . 0 0 "[ . 1 . 2]" 1
582 1 44 CYS H 1 44 CYS HB3 0.000 . 3.800 3.388 2.943 3.828 0.028 15 0 "[ . 1 . 2]" 1
583 1 44 CYS HA 1 45 LEU H 0.000 . 3.800 2.467 2.155 3.324 . 0 0 "[ . 1 . 2]" 1
584 1 44 CYS H 1 45 LEU HG 0.000 . 6.000 4.579 3.341 5.188 . 0 0 "[ . 1 . 2]" 1
585 1 44 CYS H 1 45 LEU H 0.000 . 6.000 4.288 2.667 4.499 . 0 0 "[ . 1 . 2]" 1
586 1 44 CYS QB 1 45 LEU H 0.000 . 6.000 2.700 2.402 3.228 . 0 0 "[ . 1 . 2]" 1
587 1 44 CYS H 1 45 LEU HA 0.000 . 6.000 5.161 4.118 5.445 . 0 0 "[ . 1 . 2]" 1
588 1 44 CYS H 1 45 LEU QD 0.000 . 4.200 3.995 2.490 4.263 0.063 1 0 "[ . 1 . 2]" 1
589 1 44 CYS HB2 1 48 GLY H 0.000 . 5.600 4.575 3.766 5.098 . 0 0 "[ . 1 . 2]" 1
590 1 44 CYS HB2 1 48 GLY HA3 0.000 . 5.600 5.034 3.986 5.638 0.038 4 0 "[ . 1 . 2]" 1
591 1 44 CYS QB 1 48 GLY HA2 0.000 . 5.000 4.765 4.009 5.183 0.183 10 0 "[ . 1 . 2]" 1
592 1 44 CYS QB 1 48 GLY HA3 0.000 . 5.000 3.622 2.754 4.264 . 0 0 "[ . 1 . 2]" 1
593 1 44 CYS QB 1 49 ARG HA 0.000 . 5.000 4.106 3.403 5.113 0.113 15 0 "[ . 1 . 2]" 1
594 1 44 CYS QB 1 49 ARG H 0.000 . 6.000 4.010 3.067 5.233 . 0 0 "[ . 1 . 2]" 1
595 1 44 CYS QB 1 50 CYS H 0.000 . 6.000 4.174 3.751 5.060 . 0 0 "[ . 1 . 2]" 1
596 1 44 CYS HA 1 56 CYS HB3 0.000 . 6.000 3.393 3.029 3.954 . 0 0 "[ . 1 . 2]" 1
597 1 44 CYS HB3 1 56 CYS QB 0.000 . 6.000 3.403 2.143 4.548 . 0 0 "[ . 1 . 2]" 1
598 1 44 CYS HB2 1 56 CYS QB 0.000 . 6.000 4.174 3.447 4.665 . 0 0 "[ . 1 . 2]" 1
599 1 44 CYS HA 1 56 CYS HB2 0.000 . 6.000 3.307 2.715 3.874 . 0 0 "[ . 1 . 2]" 1
600 1 44 CYS QB 1 56 CYS HA 0.000 . 6.000 4.759 4.138 5.225 . 0 0 "[ . 1 . 2]" 1
601 1 45 LEU HB2 1 45 LEU MD2 0.000 . 2.800 3.065 2.742 3.116 0.316 9 0 "[ . 1 . 2]" 1
602 1 45 LEU H 1 45 LEU MD2 0.000 . 4.200 3.572 3.171 4.019 . 0 0 "[ . 1 . 2]" 1
603 1 45 LEU HB2 1 45 LEU MD1 0.000 . 2.800 2.331 2.167 2.421 . 0 0 "[ . 1 . 2]" 1
604 1 45 LEU HA 1 45 LEU MD2 0.000 . 2.800 2.189 2.044 3.151 0.351 13 0 "[ . 1 . 2]" 1
605 1 45 LEU H 1 45 LEU MD1 0.000 . 4.200 4.067 2.841 4.212 0.012 1 0 "[ . 1 . 2]" 1
606 1 45 LEU HA 1 45 LEU MD1 0.000 . 4.800 3.740 3.517 3.799 . 0 0 "[ . 1 . 2]" 1
607 1 45 LEU H 1 45 LEU HG 0.000 . 5.000 2.983 2.569 3.170 . 0 0 "[ . 1 . 2]" 1
608 1 45 LEU HB3 1 46 ASN HA 0.000 . 5.400 4.397 3.969 4.542 . 0 0 "[ . 1 . 2]" 1
609 1 45 LEU H 1 46 ASN H 0.000 . 6.000 4.265 4.188 4.483 . 0 0 "[ . 1 . 2]" 1
610 1 45 LEU HG 1 46 ASN H 0.000 . 6.500 4.814 4.211 4.980 . 0 0 "[ . 1 . 2]" 1
611 1 45 LEU MD2 1 46 ASN H 0.000 . 4.200 3.694 3.471 3.886 . 0 0 "[ . 1 . 2]" 1
612 1 45 LEU HB2 1 46 ASN H 0.000 . 3.800 3.305 3.110 3.480 . 0 0 "[ . 1 . 2]" 1
613 1 45 LEU MD1 1 46 ASN H 0.000 . 4.600 4.353 4.178 4.557 . 0 0 "[ . 1 . 2]" 1
614 1 45 LEU HA 1 46 ASN H 0.000 . 3.400 2.513 2.408 2.603 . 0 0 "[ . 1 . 2]" 1
615 1 45 LEU HB2 1 46 ASN HA 0.000 . 5.400 5.072 4.677 5.306 . 0 0 "[ . 1 . 2]" 1
616 1 45 LEU HB3 1 46 ASN H 0.000 . 3.800 2.398 2.062 2.539 . 0 0 "[ . 1 . 2]" 1
617 1 45 LEU HA 1 46 ASN HA 0.000 . 5.400 4.373 4.225 4.581 . 0 0 "[ . 1 . 2]" 1
618 1 45 LEU HA 1 47 GLY H 0.000 . 4.200 3.231 2.889 3.561 . 0 0 "[ . 1 . 2]" 1
619 1 45 LEU HB2 1 47 GLY H 0.000 . 5.400 5.148 5.056 5.431 0.031 19 0 "[ . 1 . 2]" 1
620 1 45 LEU HB3 1 47 GLY H 0.000 . 5.000 4.740 4.533 4.933 . 0 0 "[ . 1 . 2]" 1
621 1 45 LEU HA 1 62 PHE QE 0.000 . 6.000 6.192 6.069 6.367 0.367 16 0 "[ . 1 . 2]" 1
622 1 45 LEU MD1 1 66 GLN HG2 0.000 . 4.200 2.807 2.100 4.378 0.178 11 0 "[ . 1 . 2]" 1
623 1 45 LEU MD1 1 66 GLN HB3 0.000 . 4.200 4.144 3.852 4.900 0.700 11 1 "[ . 1+ . 2]" 1
624 1 45 LEU MD1 1 66 GLN HG3 0.000 . 5.400 3.852 3.067 4.316 . 0 0 "[ . 1 . 2]" 1
625 1 45 LEU HB2 1 67 CYS HB2 0.000 . 5.400 2.942 2.300 3.801 . 0 0 "[ . 1 . 2]" 1
626 1 45 LEU HB2 1 67 CYS HB3 0.000 . 5.400 4.351 3.827 5.260 . 0 0 "[ . 1 . 2]" 1
627 1 45 LEU HB2 1 68 GLU HA 0.000 . 5.400 4.056 3.464 4.512 . 0 0 "[ . 1 . 2]" 1
628 1 45 LEU MD1 1 68 GLU HA 0.000 . 3.600 2.505 2.243 2.905 . 0 0 "[ . 1 . 2]" 1
629 1 46 ASN HB2 1 47 GLY H 0.000 . 5.400 4.524 4.398 4.637 . 0 0 "[ . 1 . 2]" 1
630 1 46 ASN HB3 1 47 GLY H 0.000 . 5.400 4.275 4.030 4.640 . 0 0 "[ . 1 . 2]" 1
631 1 46 ASN HA 1 47 GLY H 0.000 . 3.600 2.955 2.789 3.097 . 0 0 "[ . 1 . 2]" 1
632 1 46 ASN H 1 47 GLY H 0.000 . 4.200 2.899 2.673 3.103 . 0 0 "[ . 1 . 2]" 1
633 1 46 ASN H 1 48 GLY H 0.000 . 5.400 4.459 4.139 4.733 . 0 0 "[ . 1 . 2]" 1
634 1 46 ASN HA 1 48 GLY H 0.000 . 5.400 4.677 4.512 4.837 . 0 0 "[ . 1 . 2]" 1
635 1 46 ASN HB3 1 62 PHE HZ 0.000 . 5.600 3.499 2.298 4.268 . 0 0 "[ . 1 . 2]" 1
636 1 46 ASN H 1 62 PHE QE 0.000 . 5.600 4.268 4.089 4.585 . 0 0 "[ . 1 . 2]" 1
637 1 46 ASN HB3 1 62 PHE QE 0.000 . 5.200 3.162 2.340 3.906 . 0 0 "[ . 1 . 2]" 1
638 1 46 ASN HB2 1 62 PHE QE 0.000 . 5.200 2.719 1.911 3.012 . 0 0 "[ . 1 . 2]" 1
639 1 46 ASN HA 1 62 PHE QD 0.000 . 5.600 5.370 4.404 5.710 0.110 17 0 "[ . 1 . 2]" 1
640 1 46 ASN HB2 1 62 PHE QD 0.000 . 5.200 3.714 2.953 4.248 . 0 0 "[ . 1 . 2]" 1
641 1 46 ASN HA 1 62 PHE HZ 0.000 . 5.600 3.639 2.510 4.443 . 0 0 "[ . 1 . 2]" 1
642 1 46 ASN HB2 1 62 PHE HZ 0.000 . 5.600 2.704 2.367 3.313 . 0 0 "[ . 1 . 2]" 1
643 1 46 ASN HB3 1 62 PHE QD 0.000 . 5.400 3.817 3.397 4.364 . 0 0 "[ . 1 . 2]" 1
644 1 46 ASN HA 1 62 PHE QE 0.000 . 5.200 4.015 3.134 4.382 . 0 0 "[ . 1 . 2]" 1
645 1 46 ASN HB2 1 67 CYS HB2 0.000 . 5.400 3.845 2.543 5.037 . 0 0 "[ . 1 . 2]" 1
646 1 46 ASN HA 1 67 CYS HB2 0.000 . 5.400 5.262 4.316 5.683 0.283 11 0 "[ . 1 . 2]" 1
647 1 46 ASN HB2 1 67 CYS HB3 0.000 . 5.400 4.579 3.332 5.693 0.293 7 0 "[ . 1 . 2]" 1
648 1 46 ASN H 1 68 GLU HA 0.000 . 5.200 5.512 5.137 5.652 0.452 19 0 "[ . 1 . 2]" 1
649 1 47 GLY H 1 48 GLY H 0.000 . 3.800 2.717 2.510 2.802 . 0 0 "[ . 1 . 2]" 1
650 1 47 GLY HA2 1 48 GLY H 0.000 . 3.600 2.867 2.800 2.970 . 0 0 "[ . 1 . 2]" 1
651 1 47 GLY HA3 1 48 GLY H 0.000 . 4.200 3.448 3.417 3.483 . 0 0 "[ . 1 . 2]" 1
652 1 48 GLY HA3 1 49 ARG H 0.000 . 3.400 2.386 2.278 3.070 . 0 0 "[ . 1 . 2]" 1
653 1 48 GLY HA3 1 49 ARG QB 0.000 . 5.000 4.338 4.143 4.853 . 0 0 "[ . 1 . 2]" 1
654 1 48 GLY H 1 49 ARG H 0.000 . 4.200 4.142 4.004 4.431 0.231 6 0 "[ . 1 . 2]" 1
655 1 48 GLY HA2 1 49 ARG H 0.000 . 3.500 2.891 2.177 3.061 . 0 0 "[ . 1 . 2]" 1
656 1 48 GLY HA3 1 58 CYS HA 0.000 . 4.000 3.394 2.952 4.542 0.542 15 1 "[ . 1 + 2]" 1
657 1 48 GLY HA3 1 59 THR H 0.000 . 5.400 3.943 3.373 5.262 . 0 0 "[ . 1 . 2]" 1
658 1 49 ARG HB3 1 49 ARG HD2 0.000 . 4.200 3.147 2.195 3.771 . 0 0 "[ . 1 . 2]" 1
659 1 49 ARG H 1 49 ARG HG3 0.000 . 5.000 4.218 3.805 4.383 . 0 0 "[ . 1 . 2]" 1
660 1 49 ARG H 1 49 ARG HG2 0.000 . 4.200 3.884 2.464 4.704 0.504 20 1 "[ . 1 . +]" 1
661 1 49 ARG HB3 1 49 ARG HG2 0.000 . 2.800 2.356 2.192 2.812 0.012 14 0 "[ . 1 . 2]" 1
662 1 49 ARG H 1 49 ARG HB3 0.000 . 3.600 2.827 2.270 3.385 . 0 0 "[ . 1 . 2]" 1
663 1 49 ARG H 1 49 ARG QB 0.000 . 3.500 2.693 2.188 3.161 . 0 0 "[ . 1 . 2]" 1
664 1 49 ARG H 1 49 ARG QD 0.000 . 6.000 4.279 2.209 5.178 . 0 0 "[ . 1 . 2]" 1
665 1 49 ARG HA 1 49 ARG QD 0.000 . 3.500 3.521 2.487 3.738 0.238 8 0 "[ . 1 . 2]" 1
666 1 49 ARG HA 1 49 ARG QB 0.000 . 2.800 2.153 2.073 2.217 . 0 0 "[ . 1 . 2]" 1
667 1 49 ARG QB 1 49 ARG QD 0.000 . 2.800 2.166 2.063 2.566 . 0 0 "[ . 1 . 2]" 1
668 1 49 ARG HB3 1 50 CYS H 0.000 . 5.000 4.278 4.078 4.396 . 0 0 "[ . 1 . 2]" 1
669 1 49 ARG HA 1 50 CYS H 0.000 . 2.800 2.265 2.205 2.361 . 0 0 "[ . 1 . 2]" 1
670 1 49 ARG H 1 50 CYS H 0.000 . 5.400 3.997 3.827 4.291 . 0 0 "[ . 1 . 2]" 1
671 1 49 ARG QB 1 50 CYS H 0.000 . 3.800 3.615 3.026 3.845 0.045 8 0 "[ . 1 . 2]" 1
672 1 49 ARG HG2 1 50 CYS H 0.000 . 4.200 4.074 3.640 4.608 0.408 20 0 "[ . 1 . 2]" 1
673 1 49 ARG QG 1 50 CYS H 0.000 . 6.000 3.154 2.584 4.155 . 0 0 "[ . 1 . 2]" 1
674 1 49 ARG QD 1 50 CYS H 0.000 . 6.500 4.596 2.821 5.274 . 0 0 "[ . 1 . 2]" 1
675 1 49 ARG H 1 51 VAL QG 0.000 . 6.500 4.235 4.030 4.412 . 0 0 "[ . 1 . 2]" 1
676 1 49 ARG QG 1 51 VAL QG 0.000 . 6.000 2.500 2.054 2.881 . 0 0 "[ . 1 . 2]" 1
677 1 49 ARG QD 1 51 VAL QG 0.000 . 6.000 3.943 3.245 4.311 . 0 0 "[ . 1 . 2]" 1
678 1 49 ARG HG3 1 51 VAL H 0.000 . 5.200 4.993 3.710 5.427 0.227 13 0 "[ . 1 . 2]" 1
679 1 49 ARG HG2 1 51 VAL H 0.000 . 5.600 4.708 4.185 5.025 . 0 0 "[ . 1 . 2]" 1
680 1 49 ARG HB3 1 51 VAL MG1 0.000 . 4.200 3.854 3.188 4.758 0.558 4 1 "[ +. 1 . 2]" 1
681 1 49 ARG H 1 51 VAL MG1 0.000 . 5.400 4.332 4.100 4.519 . 0 0 "[ . 1 . 2]" 1
682 1 49 ARG HG3 1 56 CYS HA 0.000 . 5.600 5.668 4.553 6.061 0.461 13 0 "[ . 1 . 2]" 1
683 1 49 ARG H 1 56 CYS QB 0.000 . 6.500 3.792 2.894 5.121 . 0 0 "[ . 1 . 2]" 1
684 1 49 ARG H 1 56 CYS HA 0.000 . 6.000 4.098 3.753 4.947 . 0 0 "[ . 1 . 2]" 1
685 1 49 ARG H 1 57 ALA H 0.000 . 5.000 2.694 2.470 3.095 . 0 0 "[ . 1 . 2]" 1
686 1 49 ARG HG2 1 57 ALA H 0.000 . 5.400 4.024 2.649 4.785 . 0 0 "[ . 1 . 2]" 1
687 1 49 ARG HB3 1 57 ALA MB 0.000 . 4.600 3.142 2.210 4.457 . 0 0 "[ . 1 . 2]" 1
688 1 49 ARG H 1 57 ALA MB 0.000 . 5.000 3.131 2.765 3.417 . 0 0 "[ . 1 . 2]" 1
689 1 49 ARG HB3 1 57 ALA H 0.000 . 5.400 4.135 3.296 5.116 . 0 0 "[ . 1 . 2]" 1
690 1 50 CYS H 1 50 CYS QB 0.000 . 2.800 2.548 1.955 2.754 . 0 0 "[ . 1 . 2]" 1
691 1 50 CYS H 1 50 CYS HB3 0.000 . 3.400 3.138 2.478 3.357 . 0 0 "[ . 1 . 2]" 1
692 1 50 CYS H 1 51 VAL H 0.000 . 5.400 4.354 4.227 4.437 . 0 0 "[ . 1 . 2]" 1
693 1 50 CYS HA 1 51 VAL MG1 0.000 . 6.500 3.607 3.392 3.811 . 0 0 "[ . 1 . 2]" 1
694 1 50 CYS HA 1 51 VAL MG2 0.000 . 6.500 4.137 3.941 4.508 . 0 0 "[ . 1 . 2]" 1
695 1 50 CYS HA 1 51 VAL H 0.000 . 2.800 2.255 2.210 2.301 . 0 0 "[ . 1 . 2]" 1
696 1 50 CYS HB3 1 51 VAL H 0.000 . 5.600 3.782 3.446 4.224 . 0 0 "[ . 1 . 2]" 1
697 1 50 CYS HA 1 52 ALA H 0.000 . 5.000 3.990 3.664 4.306 . 0 0 "[ . 1 . 2]" 1
698 1 50 CYS HA 1 56 CYS HB2 0.000 . 5.400 4.220 3.471 4.954 . 0 0 "[ . 1 . 2]" 1
699 1 50 CYS H 1 56 CYS HA 0.000 . 6.000 4.188 3.976 4.460 . 0 0 "[ . 1 . 2]" 1
700 1 50 CYS HB2 1 56 CYS HA 0.000 . 5.400 4.844 4.319 5.210 . 0 0 "[ . 1 . 2]" 1
701 1 50 CYS HB3 1 56 CYS HA 0.000 . 5.400 4.265 3.856 5.174 . 0 0 "[ . 1 . 2]" 1
702 1 50 CYS HA 1 56 CYS HA 0.000 . 2.800 2.212 2.013 2.456 . 0 0 "[ . 1 . 2]" 1
703 1 50 CYS HA 1 56 CYS HB3 0.000 . 5.400 4.198 3.629 4.773 . 0 0 "[ . 1 . 2]" 1
704 1 50 CYS HB3 1 57 ALA H 0.000 . 5.600 5.811 5.678 6.129 0.529 12 1 "[ . 1 + . 2]" 1
705 1 50 CYS HA 1 57 ALA H 0.000 . 5.200 3.590 3.453 3.828 . 0 0 "[ . 1 . 2]" 1
706 1 51 VAL H 1 51 VAL MG1 0.000 . 4.600 2.376 2.135 2.662 . 0 0 "[ . 1 . 2]" 1
707 1 51 VAL HA 1 51 VAL MG2 0.000 . 3.600 3.089 3.041 3.109 . 0 0 "[ . 1 . 2]" 1
708 1 51 VAL H 1 51 VAL MG2 0.000 . 3.400 2.301 2.184 2.577 . 0 0 "[ . 1 . 2]" 1
709 1 51 VAL MG1 1 51 VAL MG2 0.000 . 2.800 2.039 2.017 2.054 . 0 0 "[ . 1 . 2]" 1
710 1 51 VAL HA 1 51 VAL HB 0.000 . 2.800 2.265 2.169 2.319 . 0 0 "[ . 1 . 2]" 1
711 1 51 VAL MG2 1 52 ALA H 0.000 . 3.600 2.187 1.961 2.363 . 0 0 "[ . 1 . 2]" 1
712 1 51 VAL QG 1 52 ALA HA 0.000 . 6.500 3.722 3.614 3.815 . 0 0 "[ . 1 . 2]" 1
713 1 51 VAL HA 1 52 ALA H 0.000 . 5.000 3.446 3.383 3.500 . 0 0 "[ . 1 . 2]" 1
714 1 51 VAL HB 1 52 ALA H 0.000 . 6.000 3.808 3.579 4.002 . 0 0 "[ . 1 . 2]" 1
715 1 51 VAL HB 1 52 ALA MB 0.000 . 6.000 4.187 3.968 4.387 . 0 0 "[ . 1 . 2]" 1
716 1 51 VAL H 1 52 ALA HA 0.000 . 6.000 4.604 4.492 4.746 . 0 0 "[ . 1 . 2]" 1
717 1 51 VAL H 1 52 ALA H 0.000 . 3.600 2.226 2.073 2.428 . 0 0 "[ . 1 . 2]" 1
718 1 51 VAL MG2 1 52 ALA MB 0.000 . 2.800 2.558 2.426 2.706 . 0 0 "[ . 1 . 2]" 1
719 1 51 VAL MG1 1 52 ALA H 0.000 . 5.000 3.771 3.535 3.898 . 0 0 "[ . 1 . 2]" 1
720 1 51 VAL MG1 1 55 ARG QD 0.000 . 4.600 4.384 3.647 4.540 . 0 0 "[ . 1 . 2]" 1
721 1 51 VAL MG2 1 55 ARG QD 0.000 . 2.800 2.566 2.023 2.870 0.070 3 0 "[ . 1 . 2]" 1
722 1 51 VAL MG1 1 55 ARG HB3 0.000 . 5.400 4.366 4.247 4.716 . 0 0 "[ . 1 . 2]" 1
723 1 51 VAL MG2 1 55 ARG HB2 0.000 . 5.000 3.365 3.115 3.823 . 0 0 "[ . 1 . 2]" 1
724 1 51 VAL MG1 1 55 ARG HB2 0.000 . 5.400 5.532 5.460 5.643 0.243 5 0 "[ . 1 . 2]" 1
725 1 51 VAL H 1 55 ARG H 0.000 . 5.200 4.598 4.406 4.847 . 0 0 "[ . 1 . 2]" 1
726 1 51 VAL MG2 1 55 ARG HB3 0.000 . 5.000 2.235 2.027 2.874 . 0 0 "[ . 1 . 2]" 1
727 1 51 VAL QG 1 55 ARG H 0.000 . 6.500 4.271 4.077 4.451 . 0 0 "[ . 1 . 2]" 1
728 1 51 VAL QG 1 55 ARG HA 0.000 . 6.500 4.000 3.840 4.247 . 0 0 "[ . 1 . 2]" 1
729 1 51 VAL H 1 56 CYS HA 0.000 . 4.000 2.855 2.725 3.056 . 0 0 "[ . 1 . 2]" 1
730 1 51 VAL MG1 1 56 CYS HA 0.000 . 5.000 3.507 3.187 3.844 . 0 0 "[ . 1 . 2]" 1
731 1 51 VAL H 1 56 CYS HB2 0.000 . 6.000 5.362 4.873 5.798 . 0 0 "[ . 1 . 2]" 1
732 1 51 VAL MG2 1 56 CYS HA 0.000 . 4.600 3.710 3.410 4.081 . 0 0 "[ . 1 . 2]" 1
733 1 51 VAL H 1 57 ALA MB 0.000 . 5.000 4.171 3.940 4.442 . 0 0 "[ . 1 . 2]" 1
734 1 51 VAL H 1 57 ALA H 0.000 . 5.400 3.711 3.518 3.962 . 0 0 "[ . 1 . 2]" 1
735 1 51 VAL MG2 1 57 ALA H 0.000 . 4.200 3.867 3.636 4.187 . 0 0 "[ . 1 . 2]" 1
736 1 51 VAL HB 1 57 ALA MB 0.000 . 4.600 4.149 3.999 4.328 . 0 0 "[ . 1 . 2]" 1
737 1 51 VAL MG1 1 57 ALA H 0.000 . 4.600 2.721 2.363 2.882 . 0 0 "[ . 1 . 2]" 1
738 1 51 VAL HB 1 57 ALA H 0.000 . 5.600 5.575 5.224 5.684 0.084 6 0 "[ . 1 . 2]" 1
739 1 51 VAL MG2 1 57 ALA MB 0.000 . 3.000 3.127 2.928 3.308 0.308 3 0 "[ . 1 . 2]" 1
740 1 51 VAL MG1 1 57 ALA MB 0.000 . 2.800 1.912 1.794 2.094 . 0 0 "[ . 1 . 2]" 1
741 1 52 ALA H 1 52 ALA MB 0.000 . 3.200 2.492 2.415 2.547 . 0 0 "[ . 1 . 2]" 1
742 1 52 ALA MB 1 53 PRO HD3 0.000 . 3.000 2.574 2.355 2.732 . 0 0 "[ . 1 . 2]" 1
743 1 52 ALA HA 1 53 PRO HD3 0.000 . 4.000 2.386 2.302 2.468 . 0 0 "[ . 1 . 2]" 1
744 1 52 ALA HA 1 53 PRO HD2 0.000 . 4.000 3.075 2.964 3.253 . 0 0 "[ . 1 . 2]" 1
745 1 52 ALA MB 1 53 PRO HD2 0.000 . 5.000 1.993 1.879 2.068 . 0 0 "[ . 1 . 2]" 1
746 1 52 ALA H 1 53 PRO HD3 0.000 . 6.000 4.756 4.697 4.820 . 0 0 "[ . 1 . 2]" 1
747 1 52 ALA HA 1 53 PRO HG2 0.000 . 6.000 4.842 4.771 4.921 . 0 0 "[ . 1 . 2]" 1
748 1 52 ALA HA 1 53 PRO QD 0.000 . 3.500 2.308 2.238 2.381 . 0 0 "[ . 1 . 2]" 1
749 1 52 ALA MB 1 53 PRO HA 0.000 . 6.500 4.361 4.311 4.390 . 0 0 "[ . 1 . 2]" 1
750 1 52 ALA MB 1 53 PRO HG2 0.000 . 6.000 4.048 3.945 4.127 . 0 0 "[ . 1 . 2]" 1
751 1 52 ALA MB 1 53 PRO HG3 0.000 . 6.500 4.323 4.216 4.390 . 0 0 "[ . 1 . 2]" 1
752 1 52 ALA H 1 55 ARG HB3 0.000 . 5.400 2.374 2.102 2.599 . 0 0 "[ . 1 . 2]" 1
753 1 52 ALA MB 1 55 ARG HA 0.000 . 6.000 4.251 4.058 4.473 . 0 0 "[ . 1 . 2]" 1
754 1 52 ALA H 1 55 ARG H 0.000 . 3.800 3.370 3.176 3.583 . 0 0 "[ . 1 . 2]" 1
755 1 52 ALA MB 1 55 ARG QD 0.000 . 3.600 3.261 2.248 3.569 . 0 0 "[ . 1 . 2]" 1
756 1 52 ALA H 1 56 CYS HA 0.000 . 5.400 4.382 4.219 4.514 . 0 0 "[ . 1 . 2]" 1
757 1 53 PRO HA 1 53 PRO HG3 0.000 . 4.000 2.964 2.898 3.173 . 0 0 "[ . 1 . 2]" 1
758 1 53 PRO HA 1 54 ASN HB2 0.000 . 5.400 4.231 4.128 4.367 . 0 0 "[ . 1 . 2]" 1
759 1 53 PRO HA 1 54 ASN H 0.000 . 3.500 2.166 2.138 2.239 . 0 0 "[ . 1 . 2]" 1
760 1 53 PRO HB3 1 54 ASN H 0.000 . 6.000 3.957 3.882 4.146 . 0 0 "[ . 1 . 2]" 1
761 1 53 PRO HB2 1 54 ASN H 0.000 . 6.500 4.165 4.056 4.292 . 0 0 "[ . 1 . 2]" 1
762 1 53 PRO HA 1 55 ARG H 0.000 . 5.000 3.620 3.526 3.735 . 0 0 "[ . 1 . 2]" 1
763 1 54 ASN HB2 1 54 ASN HD22 0.000 . 3.800 2.350 2.208 2.690 . 0 0 "[ . 1 . 2]" 1
764 1 54 ASN HB3 1 54 ASN HD22 0.000 . 3.800 2.807 2.380 3.283 . 0 0 "[ . 1 . 2]" 1
765 1 54 ASN H 1 55 ARG H 0.000 . 3.500 2.687 2.473 2.865 . 0 0 "[ . 1 . 2]" 1
766 1 54 ASN HB2 1 55 ARG H 0.000 . 5.400 4.155 3.994 4.328 . 0 0 "[ . 1 . 2]" 1
767 1 54 ASN HA 1 55 ARG H 0.000 . 3.500 3.182 3.043 3.338 . 0 0 "[ . 1 . 2]" 1
768 1 54 ASN HB3 1 55 ARG H 0.000 . 3.800 3.630 3.261 3.868 0.068 6 0 "[ . 1 . 2]" 1
769 1 54 ASN H 1 56 CYS H 0.000 . 5.200 5.281 5.186 5.374 0.174 5 0 "[ . 1 . 2]" 1
770 1 55 ARG HB3 1 55 ARG QD 0.000 . 2.800 2.339 2.131 3.090 0.290 1 0 "[ . 1 . 2]" 1
771 1 55 ARG H 1 55 ARG HB3 0.000 . 3.200 2.979 2.383 3.129 . 0 0 "[ . 1 . 2]" 1
772 1 55 ARG H 1 55 ARG HB2 0.000 . 3.600 2.234 2.068 2.771 . 0 0 "[ . 1 . 2]" 1
773 1 55 ARG HA 1 55 ARG HG3 0.000 . 4.000 3.080 2.452 3.453 . 0 0 "[ . 1 . 2]" 1
774 1 55 ARG QD 1 55 ARG HG3 0.000 . 2.800 2.250 2.069 2.323 . 0 0 "[ . 1 . 2]" 1
775 1 55 ARG HA 1 55 ARG HG2 0.000 . 4.000 2.367 2.071 3.344 . 0 0 "[ . 1 . 2]" 1
776 1 55 ARG QD 1 55 ARG HG2 0.000 . 2.800 2.193 2.078 2.272 . 0 0 "[ . 1 . 2]" 1
777 1 55 ARG HA 1 55 ARG QD 0.000 . 3.500 3.063 2.280 3.703 0.203 6 0 "[ . 1 . 2]" 1
778 1 55 ARG HB3 1 56 CYS H 0.000 . 5.000 4.126 3.990 4.380 . 0 0 "[ . 1 . 2]" 1
779 1 55 ARG H 1 56 CYS H 0.000 . 3.800 3.738 3.553 3.839 0.039 1 0 "[ . 1 . 2]" 1
780 1 55 ARG HB3 1 56 CYS HA 0.000 . 5.400 4.562 4.477 4.870 . 0 0 "[ . 1 . 2]" 1
781 1 55 ARG HB2 1 56 CYS HA 0.000 . 5.400 5.483 5.377 5.687 0.287 1 0 "[ . 1 . 2]" 1
782 1 55 ARG HA 1 56 CYS H 0.000 . 2.800 2.380 2.297 2.466 . 0 0 "[ . 1 . 2]" 1
783 1 55 ARG QD 1 57 ALA MB 0.000 . 5.000 4.840 4.182 5.065 0.065 13 0 "[ . 1 . 2]" 1
784 1 56 CYS H 1 56 CYS HB2 0.000 . 3.200 2.400 2.133 2.598 . 0 0 "[ . 1 . 2]" 1
785 1 56 CYS HB2 1 57 ALA H 0.000 . 5.000 3.993 3.785 4.220 . 0 0 "[ . 1 . 2]" 1
786 1 56 CYS HB3 1 57 ALA H 0.000 . 5.400 3.325 2.810 3.913 . 0 0 "[ . 1 . 2]" 1
787 1 56 CYS HA 1 57 ALA H 0.000 . 4.200 2.278 2.211 2.364 . 0 0 "[ . 1 . 2]" 1
788 1 56 CYS HA 1 57 ALA MB 0.000 . 5.000 3.978 3.928 4.023 . 0 0 "[ . 1 . 2]" 1
789 1 56 CYS H 1 57 ALA H 0.000 . 5.400 4.404 4.354 4.440 . 0 0 "[ . 1 . 2]" 1
790 1 57 ALA H 1 57 ALA MB 0.000 . 3.600 2.227 2.178 2.293 . 0 0 "[ . 1 . 2]" 1
791 1 57 ALA MB 1 58 CYS H 0.000 . 3.400 3.015 2.599 3.344 . 0 0 "[ . 1 . 2]" 1
792 1 57 ALA H 1 58 CYS H 0.000 . 5.200 4.309 4.132 4.408 . 0 0 "[ . 1 . 2]" 1
793 1 57 ALA HA 1 58 CYS H 0.000 . 3.000 2.254 2.170 2.366 . 0 0 "[ . 1 . 2]" 1
794 1 58 CYS H 1 58 CYS HB2 0.000 . 4.200 2.448 2.330 2.529 . 0 0 "[ . 1 . 2]" 1
795 1 58 CYS H 1 58 CYS HB3 0.000 . 3.800 3.430 3.325 3.487 . 0 0 "[ . 1 . 2]" 1
796 1 58 CYS HB2 1 59 THR H 0.000 . 5.000 4.015 3.880 4.250 . 0 0 "[ . 1 . 2]" 1
797 1 58 CYS HA 1 59 THR H 0.000 . 3.600 2.188 2.119 2.265 . 0 0 "[ . 1 . 2]" 1
798 1 58 CYS H 1 59 THR H 0.000 . 5.000 4.316 4.204 4.416 . 0 0 "[ . 1 . 2]" 1
799 1 58 CYS HB3 1 59 THR H 0.000 . 5.000 3.238 2.967 3.646 . 0 0 "[ . 1 . 2]" 1
800 1 58 CYS HB3 1 62 PHE H 0.000 . 5.400 4.177 3.060 4.885 . 0 0 "[ . 1 . 2]" 1
801 1 58 CYS HB3 1 62 PHE QE 0.000 . 5.600 5.145 4.618 5.487 . 0 0 "[ . 1 . 2]" 1
802 1 58 CYS HA 1 62 PHE QD 0.000 . 5.600 5.122 4.443 5.652 0.052 16 0 "[ . 1 . 2]" 1
803 1 59 THR H 1 59 THR MG 0.000 . 3.600 3.573 3.510 3.608 0.008 13 0 "[ . 1 . 2]" 1
804 1 59 THR HB 1 60 TYR H 0.000 . 3.200 2.580 2.433 2.766 . 0 0 "[ . 1 . 2]" 1
805 1 59 THR MG 1 60 TYR H 0.000 . 4.200 3.295 2.989 3.618 . 0 0 "[ . 1 . 2]" 1
806 1 59 THR HA 1 60 TYR HB3 0.000 . 5.400 5.258 5.046 5.747 0.347 8 0 "[ . 1 . 2]" 1
807 1 59 THR HB 1 62 PHE HZ 0.000 . 6.000 5.385 4.744 5.900 . 0 0 "[ . 1 . 2]" 1
808 1 59 THR HA 1 62 PHE QE 0.000 . 6.000 6.071 5.615 6.260 0.260 20 0 "[ . 1 . 2]" 1
809 1 59 THR H 1 62 PHE QD 0.000 . 5.400 4.430 3.747 4.686 . 0 0 "[ . 1 . 2]" 1
810 1 59 THR MG 1 62 PHE QD 0.000 . 5.200 5.182 4.929 5.348 0.148 6 0 "[ . 1 . 2]" 1
811 1 59 THR MG 1 62 PHE QE 0.000 . 5.200 4.513 4.106 4.663 . 0 0 "[ . 1 . 2]" 1
812 1 59 THR H 1 62 PHE H 0.000 . 5.600 5.863 5.735 5.997 0.397 5 0 "[ . 1 . 2]" 1
813 1 59 THR MG 1 62 PHE HZ 0.000 . 6.000 5.932 5.378 6.146 0.146 12 0 "[ . 1 . 2]" 1
814 1 59 THR H 1 62 PHE HB2 0.000 . 5.400 5.307 4.957 5.536 0.136 3 0 "[ . 1 . 2]" 1
815 1 59 THR HB 1 62 PHE QE 0.000 . 5.600 3.718 3.139 4.310 . 0 0 "[ . 1 . 2]" 1
816 1 59 THR H 1 67 CYS HB3 0.000 . 5.600 4.568 4.131 4.893 . 0 0 "[ . 1 . 2]" 1
817 1 60 TYR HB3 1 60 TYR QE 0.000 . 4.800 4.303 4.269 4.339 . 0 0 "[ . 1 . 2]" 1
818 1 60 TYR H 1 60 TYR QD 0.000 . 5.400 4.383 4.307 4.448 . 0 0 "[ . 1 . 2]" 1
819 1 60 TYR HA 1 60 TYR QD 0.000 . 3.800 2.852 2.188 3.188 . 0 0 "[ . 1 . 2]" 1
820 1 60 TYR HA 1 60 TYR QE 0.000 . 5.600 4.577 4.365 4.729 . 0 0 "[ . 1 . 2]" 1
821 1 60 TYR HB2 1 60 TYR QE 0.000 . 4.800 4.314 4.254 4.364 . 0 0 "[ . 1 . 2]" 1
822 1 60 TYR H 1 60 TYR HB3 0.000 . 3.800 2.891 2.649 3.159 . 0 0 "[ . 1 . 2]" 1
823 1 60 TYR H 1 60 TYR HB2 0.000 . 3.600 3.181 2.840 3.346 . 0 0 "[ . 1 . 2]" 1
824 1 60 TYR HB2 1 61 GLY H 0.000 . 5.400 3.533 3.240 4.434 . 0 0 "[ . 1 . 2]" 1
825 1 60 TYR QD 1 61 GLY HA2 0.000 . 5.600 3.316 2.507 4.041 . 0 0 "[ . 1 . 2]" 1
826 1 60 TYR QD 1 61 GLY HA3 0.000 . 5.600 2.750 2.295 3.303 . 0 0 "[ . 1 . 2]" 1
827 1 60 TYR QE 1 61 GLY HA3 0.000 . 5.600 3.853 3.608 4.455 . 0 0 "[ . 1 . 2]" 1
828 1 60 TYR HA 1 61 GLY H 0.000 . 4.600 3.220 2.230 3.462 . 0 0 "[ . 1 . 2]" 1
829 1 60 TYR HA 1 62 PHE H 0.000 . 4.200 4.378 4.009 4.514 0.314 8 0 "[ . 1 . 2]" 1
830 1 60 TYR HB3 1 62 PHE HZ 0.000 . 6.000 5.759 4.428 6.324 0.324 7 0 "[ . 1 . 2]" 1
831 1 60 TYR H 1 62 PHE H 0.000 . 5.800 3.749 3.411 4.197 . 0 0 "[ . 1 . 2]" 1
832 1 60 TYR HB3 1 62 PHE QE 0.000 . 5.600 3.670 2.427 4.759 . 0 0 "[ . 1 . 2]" 1
833 1 60 TYR H 1 62 PHE QD 0.000 . 5.400 2.719 2.511 3.059 . 0 0 "[ . 1 . 2]" 1
834 1 60 TYR H 1 67 CYS HB3 0.000 . 5.400 5.034 4.665 5.348 . 0 0 "[ . 1 . 2]" 1
835 1 60 TYR H 1 67 CYS HB2 0.000 . 5.400 5.709 5.622 5.849 0.449 11 0 "[ . 1 . 2]" 1
836 1 60 TYR QD 1 71 TYR QE 0.000 . 5.600 5.577 5.243 5.760 0.160 3 0 "[ . 1 . 2]" 1
837 1 60 TYR QE 1 71 TYR QE 0.000 . 5.200 5.363 5.172 5.544 0.344 9 0 "[ . 1 . 2]" 1
838 1 60 TYR QE 1 72 ARG QB 0.000 . 5.600 5.013 3.648 5.626 0.026 15 0 "[ . 1 . 2]" 1
839 1 60 TYR QE 1 73 THR HB 0.000 . 5.600 4.445 3.712 5.684 0.084 12 0 "[ . 1 . 2]" 1
840 1 61 GLY HA3 1 62 PHE H 0.000 . 3.800 3.492 3.424 3.519 . 0 0 "[ . 1 . 2]" 1
841 1 61 GLY HA3 1 62 PHE QE 0.000 . 5.600 4.457 4.277 5.113 . 0 0 "[ . 1 . 2]" 1
842 1 61 GLY HA2 1 62 PHE H 0.000 . 5.000 2.808 2.711 3.044 . 0 0 "[ . 1 . 2]" 1
843 1 61 GLY HA3 1 62 PHE HZ 0.000 . 6.000 5.989 5.735 6.111 0.111 16 0 "[ . 1 . 2]" 1
844 1 61 GLY HA3 1 62 PHE QD 0.000 . 5.200 3.971 3.716 4.797 . 0 0 "[ . 1 . 2]" 1
845 1 61 GLY H 1 62 PHE H 0.000 . 3.800 3.207 2.593 3.485 . 0 0 "[ . 1 . 2]" 1
846 1 61 GLY HA2 1 71 TYR QD 0.000 . 5.200 4.256 3.769 4.710 . 0 0 "[ . 1 . 2]" 1
847 1 61 GLY HA3 1 71 TYR QD 0.000 . 5.600 4.161 3.752 4.581 . 0 0 "[ . 1 . 2]" 1
848 1 61 GLY HA2 1 71 TYR QE 0.000 . 5.600 3.347 2.959 3.875 . 0 0 "[ . 1 . 2]" 1
849 1 61 GLY HA3 1 71 TYR QE 0.000 . 5.600 3.906 3.202 4.359 . 0 0 "[ . 1 . 2]" 1
850 1 61 GLY HA3 1 72 ARG H 0.000 . 5.400 4.855 4.089 5.556 0.156 20 0 "[ . 1 . 2]" 1
851 1 62 PHE H 1 62 PHE QE 0.000 . 5.000 4.298 4.097 4.608 . 0 0 "[ . 1 . 2]" 1
852 1 62 PHE H 1 62 PHE QD 0.000 . 3.800 2.290 2.109 3.059 . 0 0 "[ . 1 . 2]" 1
853 1 62 PHE HA 1 62 PHE QE 0.000 . 5.200 4.587 4.337 4.706 . 0 0 "[ . 1 . 2]" 1
854 1 62 PHE HA 1 62 PHE HZ 0.000 . 6.000 5.811 5.606 5.951 . 0 0 "[ . 1 . 2]" 1
855 1 62 PHE HA 1 63 THR H 0.000 . 5.200 2.200 2.118 2.273 . 0 0 "[ . 1 . 2]" 1
856 1 62 PHE QD 1 63 THR H 0.000 . 5.400 4.561 4.001 4.778 . 0 0 "[ . 1 . 2]" 1
857 1 62 PHE HA 1 63 THR MG 0.000 . 5.600 3.670 3.491 3.974 . 0 0 "[ . 1 . 2]" 1
858 1 62 PHE H 1 63 THR H 0.000 . 5.400 4.183 4.080 4.336 . 0 0 "[ . 1 . 2]" 1
859 1 62 PHE HB3 1 63 THR H 0.000 . 5.600 3.338 3.068 3.559 . 0 0 "[ . 1 . 2]" 1
860 1 62 PHE H 1 67 CYS HB2 0.000 . 5.400 5.539 5.348 5.775 0.375 6 0 "[ . 1 . 2]" 1
861 1 62 PHE HZ 1 67 CYS HB3 0.000 . 6.000 5.740 5.282 5.961 . 0 0 "[ . 1 . 2]" 1
862 1 62 PHE H 1 67 CYS HB3 0.000 . 5.400 4.426 4.164 4.653 . 0 0 "[ . 1 . 2]" 1
863 1 62 PHE HZ 1 67 CYS HB2 0.000 . 6.000 5.175 4.717 5.613 . 0 0 "[ . 1 . 2]" 1
864 1 62 PHE QD 1 67 CYS HB2 0.000 . 5.200 3.170 2.711 3.786 . 0 0 "[ . 1 . 2]" 1
865 1 62 PHE QE 1 67 CYS HB3 0.000 . 5.200 4.545 3.975 4.780 . 0 0 "[ . 1 . 2]" 1
866 1 62 PHE QE 1 67 CYS HB2 0.000 . 5.400 4.104 3.780 4.615 . 0 0 "[ . 1 . 2]" 1
867 1 62 PHE QD 1 67 CYS HB3 0.000 . 4.800 3.191 2.167 3.491 . 0 0 "[ . 1 . 2]" 1
868 1 62 PHE HZ 1 68 GLU HA 0.000 . 6.000 6.233 6.099 6.350 0.350 13 0 "[ . 1 . 2]" 1
869 1 62 PHE QE 1 68 GLU HA 0.000 . 6.000 4.072 3.939 4.853 . 0 0 "[ . 1 . 2]" 1
870 1 62 PHE QE 1 69 ARG HB2 0.000 . 6.000 5.815 4.959 6.036 0.036 10 0 "[ . 1 . 2]" 1
871 1 62 PHE QD 1 70 ASP HB3 0.000 . 4.800 4.319 3.753 4.875 0.075 11 0 "[ . 1 . 2]" 1
872 1 62 PHE HZ 1 70 ASP HB3 0.000 . 5.600 4.605 2.819 5.529 . 0 0 "[ . 1 . 2]" 1
873 1 62 PHE H 1 70 ASP HA 0.000 . 5.400 5.344 4.911 5.659 0.259 3 0 "[ . 1 . 2]" 1
874 1 62 PHE QD 1 70 ASP HB2 0.000 . 4.800 3.748 2.687 4.980 0.180 17 0 "[ . 1 . 2]" 1
875 1 62 PHE QE 1 70 ASP HB3 0.000 . 5.200 3.367 2.177 3.965 . 0 0 "[ . 1 . 2]" 1
876 1 62 PHE HA 1 70 ASP HA 0.000 . 5.600 3.659 3.052 4.168 . 0 0 "[ . 1 . 2]" 1
877 1 62 PHE QE 1 70 ASP HA 0.000 . 4.800 2.837 1.853 3.374 . 0 0 "[ . 1 . 2]" 1
878 1 62 PHE QE 1 70 ASP H 0.000 . 5.400 3.946 3.462 4.424 . 0 0 "[ . 1 . 2]" 1
879 1 62 PHE HZ 1 70 ASP HB2 0.000 . 5.600 3.939 2.954 5.633 0.033 3 0 "[ . 1 . 2]" 1
880 1 62 PHE HZ 1 70 ASP HA 0.000 . 5.600 3.693 3.170 4.382 . 0 0 "[ . 1 . 2]" 1
881 1 62 PHE QD 1 70 ASP HA 0.000 . 4.800 2.958 2.245 3.390 . 0 0 "[ . 1 . 2]" 1
882 1 62 PHE QE 1 70 ASP HB2 0.000 . 4.800 2.698 2.074 4.055 . 0 0 "[ . 1 . 2]" 1
883 1 62 PHE QD 1 70 ASP H 0.000 . 5.400 3.311 2.460 4.126 . 0 0 "[ . 1 . 2]" 1
884 1 62 PHE HA 1 71 TYR QE 0.000 . 5.600 2.637 2.426 2.788 . 0 0 "[ . 1 . 2]" 1
885 1 62 PHE HA 1 71 TYR QD 0.000 . 5.600 2.855 2.459 3.221 . 0 0 "[ . 1 . 2]" 1
886 1 62 PHE H 1 71 TYR H 0.000 . 5.600 5.153 4.828 5.628 0.028 2 0 "[ . 1 . 2]" 1
887 1 62 PHE H 1 71 TYR QE 0.000 . 5.400 3.676 3.293 4.047 . 0 0 "[ . 1 . 2]" 1
888 1 62 PHE QD 1 71 TYR QE 0.000 . 5.600 4.979 4.816 5.123 . 0 0 "[ . 1 . 2]" 1
889 1 62 PHE QD 1 71 TYR QD 0.000 . 5.200 4.978 4.124 5.337 0.137 10 0 "[ . 1 . 2]" 1
890 1 62 PHE QE 1 71 TYR QE 0.000 . 6.000 6.329 6.256 6.389 0.389 8 0 "[ . 1 . 2]" 1
891 1 62 PHE HA 1 71 TYR H 0.000 . 5.400 3.285 3.104 3.658 . 0 0 "[ . 1 . 2]" 1
892 1 62 PHE HZ 1 72 ARG HA 0.000 . 6.000 6.285 6.014 7.441 1.441 14 1 "[ . 1 +. 2]" 1
893 1 62 PHE QE 1 72 ARG HA 0.000 . 6.000 5.477 5.045 6.120 0.120 14 0 "[ . 1 . 2]" 1
894 1 63 THR H 1 63 THR MG 0.000 . 4.200 2.093 1.850 2.687 . 0 0 "[ . 1 . 2]" 1
895 1 63 THR HB 1 64 GLY H 0.000 . 3.800 3.651 3.038 3.925 0.125 7 0 "[ . 1 . 2]" 1
896 1 63 THR H 1 64 GLY H 0.000 . 5.400 4.362 4.245 4.437 . 0 0 "[ . 1 . 2]" 1
897 1 63 THR MG 1 64 GLY H 0.000 . 3.600 3.750 3.468 4.076 0.476 5 0 "[ . 1 . 2]" 1
898 1 63 THR H 1 69 ARG HB2 0.000 . 5.400 2.398 1.785 3.004 . 0 0 "[ . 1 . 2]" 1
899 1 63 THR H 1 69 ARG H 0.000 . 5.400 4.278 3.235 4.982 . 0 0 "[ . 1 . 2]" 1
900 1 63 THR MG 1 69 ARG H 0.000 . 5.000 4.911 4.471 5.930 0.930 13 2 "[ . 1 + .- 2]" 1
901 1 63 THR MG 1 69 ARG HB2 0.000 . 3.600 2.901 2.281 3.756 0.156 13 0 "[ . 1 . 2]" 1
902 1 63 THR MG 1 71 TYR QE 0.000 . 3.800 2.249 1.792 2.765 . 0 0 "[ . 1 . 2]" 1
903 1 63 THR MG 1 71 TYR HB2 0.000 . 5.000 5.029 4.672 5.203 0.203 1 0 "[ . 1 . 2]" 1
904 1 63 THR HA 1 71 TYR QE 0.000 . 4.800 3.220 2.680 3.587 . 0 0 "[ . 1 . 2]" 1
905 1 63 THR HB 1 71 TYR QE 0.000 . 4.800 3.193 2.407 4.221 . 0 0 "[ . 1 . 2]" 1
906 1 63 THR HB 1 71 TYR QD 0.000 . 4.800 4.469 3.963 5.122 0.322 18 0 "[ . 1 . 2]" 1
907 1 63 THR MG 1 71 TYR QD 0.000 . 3.800 2.542 2.306 2.931 . 0 0 "[ . 1 . 2]" 1
908 1 63 THR HA 1 71 TYR QD 0.000 . 5.200 4.944 4.503 5.269 0.069 2 0 "[ . 1 . 2]" 1
909 1 63 THR MG 1 71 TYR HB3 0.000 . 4.200 4.186 3.952 4.420 0.220 14 0 "[ . 1 . 2]" 1
910 1 64 GLY HA2 1 65 PRO HD3 0.000 . 5.000 2.248 2.159 2.347 . 0 0 "[ . 1 . 2]" 1
911 1 64 GLY HA3 1 65 PRO HG2 0.000 . 5.400 5.059 4.898 5.193 . 0 0 "[ . 1 . 2]" 1
912 1 64 GLY HA3 1 65 PRO HD3 0.000 . 5.000 3.518 3.391 3.665 . 0 0 "[ . 1 . 2]" 1
913 1 64 GLY HA3 1 65 PRO HA 0.000 . 5.400 4.659 4.627 4.696 . 0 0 "[ . 1 . 2]" 1
914 1 64 GLY H 1 65 PRO HA 0.000 . 4.200 4.623 4.525 4.890 0.690 18 1 "[ . 1 . + 2]" 1
915 1 64 GLY H 1 65 PRO HD3 0.000 . 4.200 3.837 3.668 4.113 . 0 0 "[ . 1 . 2]" 1
916 1 64 GLY H 1 66 GLN H 0.000 . 5.600 5.097 4.777 5.571 . 0 0 "[ . 1 . 2]" 1
917 1 64 GLY HA3 1 66 GLN H 0.000 . 5.000 3.439 3.239 3.802 . 0 0 "[ . 1 . 2]" 1
918 1 64 GLY H 1 71 TYR QE 0.000 . 5.600 5.353 4.728 5.753 0.153 20 0 "[ . 1 . 2]" 1
919 1 65 PRO HA 1 65 PRO HD3 0.000 . 4.200 3.586 3.468 3.629 . 0 0 "[ . 1 . 2]" 1
920 1 65 PRO HD3 1 66 GLN H 0.000 . 5.400 4.147 3.934 4.367 . 0 0 "[ . 1 . 2]" 1
921 1 65 PRO HG2 1 66 GLN H 0.000 . 3.800 3.615 2.839 3.922 0.122 14 0 "[ . 1 . 2]" 1
922 1 65 PRO HB2 1 66 GLN H 0.000 . 4.200 4.030 3.460 4.224 0.024 14 0 "[ . 1 . 2]" 1
923 1 65 PRO HA 1 66 GLN H 0.000 . 4.200 3.114 2.969 3.368 . 0 0 "[ . 1 . 2]" 1
924 1 66 GLN HE22 1 66 GLN HG3 0.000 . 3.600 3.579 3.312 3.643 0.043 2 0 "[ . 1 . 2]" 1
925 1 66 GLN H 1 66 GLN HG3 0.000 . 5.000 4.439 3.218 4.580 . 0 0 "[ . 1 . 2]" 1
926 1 66 GLN HE21 1 66 GLN HG2 0.000 . 3.400 2.336 2.233 2.891 . 0 0 "[ . 1 . 2]" 1
927 1 66 GLN H 1 66 GLN HG2 0.000 . 5.000 4.249 2.446 4.417 . 0 0 "[ . 1 . 2]" 1
928 1 66 GLN HB2 1 66 GLN HE22 0.000 . 5.000 4.608 4.319 4.803 . 0 0 "[ . 1 . 2]" 1
929 1 66 GLN HE22 1 66 GLN HG2 0.000 . 3.600 3.361 3.308 3.633 0.033 11 0 "[ . 1 . 2]" 1
930 1 66 GLN H 1 66 GLN HB2 0.000 . 4.200 2.825 2.606 3.627 . 0 0 "[ . 1 . 2]" 1
931 1 66 GLN HB3 1 67 CYS H 0.000 . 5.400 3.788 3.492 4.530 . 0 0 "[ . 1 . 2]" 1
932 1 66 GLN HA 1 67 CYS H 0.000 . 5.400 3.101 2.983 3.261 . 0 0 "[ . 1 . 2]" 1
933 1 66 GLN H 1 67 CYS H 0.000 . 4.200 2.226 1.949 2.506 . 0 0 "[ . 1 . 2]" 1
934 1 66 GLN HB2 1 67 CYS H 0.000 . 5.400 4.360 4.233 4.486 . 0 0 "[ . 1 . 2]" 1
935 1 66 GLN HG2 1 67 CYS H 0.000 . 5.400 4.591 4.088 4.764 . 0 0 "[ . 1 . 2]" 1
936 1 66 GLN HE22 1 68 GLU HG2 0.000 . 5.400 5.073 3.863 5.454 0.054 8 0 "[ . 1 . 2]" 1
937 1 66 GLN H 1 68 GLU H 0.000 . 5.400 4.272 3.856 4.832 . 0 0 "[ . 1 . 2]" 1
938 1 66 GLN HE21 1 68 GLU HG2 0.000 . 5.400 4.803 2.883 5.484 0.084 16 0 "[ . 1 . 2]" 1
939 1 67 CYS HB3 1 68 GLU H 0.000 . 5.400 4.530 4.363 4.626 . 0 0 "[ . 1 . 2]" 1
940 1 67 CYS H 1 68 GLU H 0.000 . 5.400 3.361 3.036 3.702 . 0 0 "[ . 1 . 2]" 1
941 1 67 CYS HB3 1 69 ARG H 0.000 . 5.400 4.917 4.517 5.378 . 0 0 "[ . 1 . 2]" 1
942 1 68 GLU H 1 68 GLU HG3 0.000 . 5.400 2.701 2.348 2.951 . 0 0 "[ . 1 . 2]" 1
943 1 68 GLU H 1 68 GLU HG2 0.000 . 5.400 2.264 2.000 2.434 . 0 0 "[ . 1 . 2]" 1
944 1 68 GLU HG3 1 69 ARG H 0.000 . 5.600 3.296 2.604 4.100 . 0 0 "[ . 1 . 2]" 1
945 1 68 GLU H 1 69 ARG H 0.000 . 5.400 2.212 1.909 2.455 . 0 0 "[ . 1 . 2]" 1
946 1 68 GLU HG2 1 69 ARG H 0.000 . 5.400 3.804 3.116 4.401 . 0 0 "[ . 1 . 2]" 1
947 1 68 GLU HG2 1 69 ARG HG3 0.000 . 5.400 5.168 3.842 5.425 0.025 14 0 "[ . 1 . 2]" 1
948 1 68 GLU HA 1 69 ARG H 0.000 . 5.400 3.101 2.813 3.304 . 0 0 "[ . 1 . 2]" 1
949 1 68 GLU HG3 1 69 ARG HG2 0.000 . 4.600 3.255 2.353 3.993 . 0 0 "[ . 1 . 2]" 1
950 1 68 GLU HG2 1 69 ARG HG2 0.000 . 5.400 3.927 3.260 5.074 . 0 0 "[ . 1 . 2]" 1
951 1 68 GLU HG3 1 69 ARG HG3 0.000 . 4.600 4.393 3.129 4.771 0.171 4 0 "[ . 1 . 2]" 1
952 1 69 ARG H 1 69 ARG HG2 0.000 . 4.600 2.653 2.202 3.908 . 0 0 "[ . 1 . 2]" 1
953 1 69 ARG H 1 69 ARG HB2 0.000 . 3.800 2.581 2.297 2.809 . 0 0 "[ . 1 . 2]" 1
954 1 69 ARG H 1 69 ARG HG3 0.000 . 4.600 3.780 3.105 4.158 . 0 0 "[ . 1 . 2]" 1
955 1 69 ARG HA 1 69 ARG HG3 0.000 . 4.200 3.522 2.853 3.701 . 0 0 "[ . 1 . 2]" 1
956 1 69 ARG HB2 1 70 ASP H 0.000 . 5.000 3.354 2.031 4.446 . 0 0 "[ . 1 . 2]" 1
957 1 69 ARG H 1 70 ASP H 0.000 . 5.400 3.439 2.976 4.045 . 0 0 "[ . 1 . 2]" 1
958 1 69 ARG HB2 1 71 TYR QE 0.000 . 5.200 4.054 3.573 4.562 . 0 0 "[ . 1 . 2]" 1
959 1 69 ARG HB3 1 71 TYR QD 0.000 . 5.600 3.432 2.490 4.022 . 0 0 "[ . 1 . 2]" 1
960 1 69 ARG HB2 1 71 TYR QD 0.000 . 5.600 3.308 2.870 3.729 . 0 0 "[ . 1 . 2]" 1
961 1 69 ARG HG2 1 71 TYR QE 0.000 . 5.600 5.850 5.636 5.989 0.389 8 0 "[ . 1 . 2]" 1
962 1 69 ARG HG3 1 71 TYR QE 0.000 . 5.600 5.471 4.493 5.728 0.128 10 0 "[ . 1 . 2]" 1
963 1 69 ARG HG3 1 71 TYR QD 0.000 . 5.600 4.990 4.435 5.321 . 0 0 "[ . 1 . 2]" 1
964 1 70 ASP H 1 70 ASP HB3 0.000 . 4.200 3.069 2.232 3.556 . 0 0 "[ . 1 . 2]" 1
965 1 70 ASP H 1 70 ASP HB2 0.000 . 4.200 3.011 2.253 3.446 . 0 0 "[ . 1 . 2]" 1
966 1 70 ASP HB3 1 71 TYR H 0.000 . 5.400 4.410 3.846 4.615 . 0 0 "[ . 1 . 2]" 1
967 1 70 ASP HA 1 71 TYR H 0.000 . 4.200 2.485 2.263 2.700 . 0 0 "[ . 1 . 2]" 1
968 1 70 ASP HA 1 71 TYR QE 0.000 . 6.000 5.550 4.996 5.921 . 0 0 "[ . 1 . 2]" 1
969 1 70 ASP HA 1 71 TYR QD 0.000 . 6.000 4.314 4.037 4.564 . 0 0 "[ . 1 . 2]" 1
970 1 70 ASP HB2 1 71 TYR H 0.000 . 5.400 4.466 4.030 4.633 . 0 0 "[ . 1 . 2]" 1
971 1 71 TYR HA 1 71 TYR QE 0.000 . 5.600 5.444 5.418 5.463 . 0 0 "[ . 1 . 2]" 1
972 1 71 TYR HB3 1 72 ARG H 0.000 . 5.400 4.634 4.524 4.739 . 0 0 "[ . 1 . 2]" 1
973 1 71 TYR H 1 72 ARG H 0.000 . 5.000 3.648 3.183 4.119 . 0 0 "[ . 1 . 2]" 1
974 1 71 TYR HA 1 72 ARG H 0.000 . 5.000 2.489 2.400 2.578 . 0 0 "[ . 1 . 2]" 1
975 1 71 TYR HB2 1 72 ARG H 0.000 . 5.600 4.231 3.981 4.363 . 0 0 "[ . 1 . 2]" 1
976 1 71 TYR QD 1 73 THR HB 0.000 . 6.000 5.674 5.181 6.145 0.145 18 0 "[ . 1 . 2]" 1
977 1 71 TYR QE 1 73 THR HA 0.000 . 6.000 5.610 3.931 6.143 0.143 4 0 "[ . 1 . 2]" 1
978 1 71 TYR QE 1 73 THR HB 0.000 . 6.000 5.950 4.456 6.364 0.364 20 0 "[ . 1 . 2]" 1
979 1 71 TYR QE 1 95 THR MG 0.000 . 5.200 4.904 4.305 5.290 0.090 3 0 "[ . 1 . 2]" 1
980 1 71 TYR HB3 1 95 THR MG 0.000 . 5.000 2.936 2.533 3.447 . 0 0 "[ . 1 . 2]" 1
981 1 71 TYR HB2 1 95 THR MG 0.000 . 5.000 2.131 1.832 2.641 . 0 0 "[ . 1 . 2]" 1
982 1 71 TYR QD 1 95 THR MG 0.000 . 5.000 3.253 2.542 3.670 . 0 0 "[ . 1 . 2]" 1
983 1 72 ARG QB 1 73 THR H 0.000 . 4.200 3.239 2.504 3.758 . 0 0 "[ . 1 . 2]" 1
984 1 72 ARG HA 1 73 THR H 0.000 . 3.400 2.352 2.234 2.637 . 0 0 "[ . 1 . 2]" 1
985 1 72 ARG QB 1 107 TRP HH2 0.000 . 5.200 2.791 2.007 3.767 . 0 0 "[ . 1 . 2]" 1
986 1 73 THR HA 1 73 THR MG 0.000 . 3.400 2.323 2.208 2.393 . 0 0 "[ . 1 . 2]" 1
987 1 73 THR H 1 73 THR MG 0.000 . 4.200 2.365 2.073 2.706 . 0 0 "[ . 1 . 2]" 1
988 1 73 THR MG 1 74 GLY H 0.000 . 4.200 3.882 3.353 4.048 . 0 0 "[ . 1 . 2]" 1
989 1 73 THR HA 1 74 GLY H 0.000 . 5.000 2.337 2.232 2.650 . 0 0 "[ . 1 . 2]" 1
990 1 73 THR H 1 74 GLY H 0.000 . 5.800 4.434 4.389 4.477 . 0 0 "[ . 1 . 2]" 1
991 1 73 THR HB 1 74 GLY H 0.000 . 5.400 2.952 2.277 3.152 . 0 0 "[ . 1 . 2]" 1
992 1 73 THR HB 1 93 VAL QG 0.000 . 3.000 2.087 1.735 2.637 . 0 0 "[ . 1 . 2]" 1
993 1 73 THR MG 1 93 VAL QG 0.000 . 3.000 2.044 1.856 2.483 . 0 0 "[ . 1 . 2]" 1
994 1 73 THR MG 1 93 VAL HB 0.000 . 5.600 4.294 4.116 4.866 . 0 0 "[ . 1 . 2]" 1
995 1 73 THR HB 1 93 VAL HB 0.000 . 5.400 4.469 3.947 5.164 . 0 0 "[ . 1 . 2]" 1
996 1 73 THR HA 1 93 VAL HB 0.000 . 5.600 5.653 5.541 5.758 0.158 2 0 "[ . 1 . 2]" 1
997 1 73 THR HA 1 93 VAL QG 0.000 . 4.200 2.767 2.652 2.869 . 0 0 "[ . 1 . 2]" 1
998 1 73 THR HB 1 94 SER H 0.000 . 5.400 5.139 4.573 5.493 0.093 13 0 "[ . 1 . 2]" 1
999 1 73 THR MG 1 94 SER H 0.000 . 5.400 5.029 4.220 5.463 0.063 12 0 "[ . 1 . 2]" 1
1000 1 73 THR HA 1 107 TRP HE1 0.000 . 5.600 4.143 3.770 4.754 . 0 0 "[ . 1 . 2]" 1
1001 1 73 THR MG 1 107 TRP HZ2 0.000 . 5.200 4.755 4.380 5.053 . 0 0 "[ . 1 . 2]" 1
1002 1 73 THR HB 1 107 TRP HE1 0.000 . 5.400 5.590 5.423 5.713 0.313 13 0 "[ . 1 . 2]" 1
1003 1 73 THR MG 1 107 TRP HE1 0.000 . 6.000 5.584 5.197 5.983 . 0 0 "[ . 1 . 2]" 1
1004 1 73 THR HA 1 107 TRP HZ2 0.000 . 4.200 2.975 2.575 3.487 . 0 0 "[ . 1 . 2]" 1
1005 1 74 GLY HA3 1 75 PRO HD3 0.000 . 5.400 3.301 2.906 3.640 . 0 0 "[ . 1 . 2]" 1
1006 1 74 GLY HA2 1 75 PRO HG2 0.000 . 5.400 4.500 4.322 4.639 . 0 0 "[ . 1 . 2]" 1
1007 1 74 GLY HA2 1 75 PRO HG3 0.000 . 5.400 4.276 3.986 4.512 . 0 0 "[ . 1 . 2]" 1
1008 1 74 GLY HA2 1 75 PRO HD2 0.000 . 5.400 2.608 2.192 3.067 . 0 0 "[ . 1 . 2]" 1
1009 1 74 GLY HA3 1 75 PRO HD2 0.000 . 5.400 3.039 2.784 3.421 . 0 0 "[ . 1 . 2]" 1
1010 1 74 GLY HA2 1 93 VAL QG 0.000 . 4.600 4.073 3.236 4.532 . 0 0 "[ . 1 . 2]" 1
1011 1 74 GLY H 1 93 VAL QG 0.000 . 4.200 2.825 2.291 3.202 . 0 0 "[ . 1 . 2]" 1
1012 1 74 GLY H 1 94 SER H 0.000 . 5.000 3.596 2.794 4.250 . 0 0 "[ . 1 . 2]" 1
1013 1 74 GLY H 1 107 TRP HD1 0.000 . 6.000 5.009 4.538 5.764 . 0 0 "[ . 1 . 2]" 1
1014 1 74 GLY HA3 1 107 TRP HE1 0.000 . 5.000 3.321 2.818 3.737 . 0 0 "[ . 1 . 2]" 1
1015 1 74 GLY HA3 1 107 TRP HD1 0.000 . 5.200 4.661 4.270 5.028 . 0 0 "[ . 1 . 2]" 1
1016 1 74 GLY HA3 1 107 TRP HZ3 0.000 . 6.000 4.500 4.336 4.862 . 0 0 "[ . 1 . 2]" 1
1017 1 74 GLY HA3 1 107 TRP HE3 0.000 . 5.600 4.654 4.432 4.889 . 0 0 "[ . 1 . 2]" 1
1018 1 74 GLY H 1 107 TRP HE1 0.000 . 5.000 2.917 2.404 3.805 . 0 0 "[ . 1 . 2]" 1
1019 1 74 GLY HA2 1 107 TRP HZ2 0.000 . 5.200 3.846 3.522 4.290 . 0 0 "[ . 1 . 2]" 1
1020 1 74 GLY HA2 1 107 TRP HZ3 0.000 . 5.600 5.729 5.650 5.819 0.219 11 0 "[ . 1 . 2]" 1
1021 1 74 GLY H 1 107 TRP HZ2 0.000 . 5.200 2.768 2.370 3.975 . 0 0 "[ . 1 . 2]" 1
1022 1 74 GLY HA2 1 108 GLY HA3 0.000 . 5.400 4.612 3.977 5.358 . 0 0 "[ . 1 . 2]" 1
1023 1 74 GLY HA3 1 109 HIS H 0.000 . 5.600 4.617 3.952 5.228 . 0 0 "[ . 1 . 2]" 1
1024 1 74 GLY HA2 1 109 HIS H 0.000 . 5.000 4.687 3.947 5.152 0.152 10 0 "[ . 1 . 2]" 1
1025 1 75 PRO HG3 1 108 GLY H 0.000 . 6.000 5.049 4.501 5.780 . 0 0 "[ . 1 . 2]" 1
1026 1 75 PRO HG2 1 108 GLY H 0.000 . 6.000 4.020 3.068 5.174 . 0 0 "[ . 1 . 2]" 1
1027 1 75 PRO HD2 1 108 GLY H 0.000 . 6.000 2.975 2.538 3.580 . 0 0 "[ . 1 . 2]" 1
1028 1 76 CYS HA 1 77 PHE QD 0.000 . 6.000 4.461 4.128 4.822 . 0 0 "[ . 1 . 2]" 1
1029 1 76 CYS HA 1 77 PHE H 0.000 . 5.200 2.207 2.173 2.242 . 0 0 "[ . 1 . 2]" 1
1030 1 76 CYS HA 1 107 TRP HE1 0.000 . 6.000 5.092 4.751 5.884 . 0 0 "[ . 1 . 2]" 1
1031 1 76 CYS HA 1 107 TRP HD1 0.000 . 5.200 3.127 2.645 4.032 . 0 0 "[ . 1 . 2]" 1
1032 1 76 CYS HA 1 107 TRP HA 0.000 . 5.400 2.316 2.062 2.764 . 0 0 "[ . 1 . 2]" 1
1033 1 76 CYS H 1 107 TRP HD1 0.000 . 5.400 4.170 3.665 4.938 . 0 0 "[ . 1 . 2]" 1
1034 1 76 CYS HA 1 108 GLY H 0.000 . 6.000 3.651 3.381 3.928 . 0 0 "[ . 1 . 2]" 1
1035 1 77 PHE HA 1 77 PHE QE 0.000 . 6.000 4.356 4.115 4.689 . 0 0 "[ . 1 . 2]" 1
1036 1 77 PHE H 1 77 PHE QD 0.000 . 5.400 3.156 2.713 3.509 . 0 0 "[ . 1 . 2]" 1
1037 1 77 PHE H 1 78 THR H 0.000 . 5.800 4.430 4.333 4.487 . 0 0 "[ . 1 . 2]" 1
1038 1 77 PHE QE 1 80 ILE MD 0.000 . 4.600 4.715 4.539 4.839 0.239 8 0 "[ . 1 . 2]" 1
1039 1 77 PHE QD 1 80 ILE MD 0.000 . 5.000 3.297 3.093 3.510 . 0 0 "[ . 1 . 2]" 1
1040 1 77 PHE QD 1 86 GLN HB2 0.000 . 5.600 3.103 2.056 4.142 . 0 0 "[ . 1 . 2]" 1
1041 1 77 PHE QE 1 86 GLN HB2 0.000 . 5.200 4.915 3.212 5.675 0.475 5 0 "[ . 1 . 2]" 1
1042 1 77 PHE QE 1 86 GLN HB3 0.000 . 5.600 4.783 3.771 5.781 0.181 13 0 "[ . 1 . 2]" 1
1043 1 77 PHE QD 1 86 GLN HB3 0.000 . 6.000 3.346 2.169 4.684 . 0 0 "[ . 1 . 2]" 1
1044 1 77 PHE QE 1 89 LEU QD 0.000 . 5.600 3.604 2.182 5.494 . 0 0 "[ . 1 . 2]" 1
1045 1 77 PHE QD 1 89 LEU QD 0.000 . 5.600 4.406 3.282 5.292 . 0 0 "[ . 1 . 2]" 1
1046 1 77 PHE QD 1 90 SER QB 0.000 . 5.600 5.142 3.704 5.610 0.010 16 0 "[ . 1 . 2]" 1
1047 1 77 PHE H 1 92 ILE MG 0.000 . 6.000 5.181 4.698 5.840 . 0 0 "[ . 1 . 2]" 1
1048 1 77 PHE H 1 106 ALA MB 0.000 . 6.000 3.372 3.083 3.764 . 0 0 "[ . 1 . 2]" 1
1049 1 77 PHE QD 1 106 ALA MB 0.000 . 4.600 2.994 2.244 3.838 . 0 0 "[ . 1 . 2]" 1
1050 1 77 PHE QE 1 106 ALA MB 0.000 . 5.600 4.671 3.791 5.578 . 0 0 "[ . 1 . 2]" 1
1051 1 77 PHE QD 1 107 TRP HA 0.000 . 5.400 3.728 3.337 4.654 . 0 0 "[ . 1 . 2]" 1
1052 1 77 PHE H 1 107 TRP HD1 0.000 . 6.000 5.115 4.722 6.067 0.067 10 0 "[ . 1 . 2]" 1
1053 1 77 PHE QD 1 107 TRP H 0.000 . 6.000 3.979 3.283 4.925 . 0 0 "[ . 1 . 2]" 1
1054 1 77 PHE QE 1 107 TRP HA 0.000 . 5.400 4.683 3.719 5.370 . 0 0 "[ . 1 . 2]" 1
1055 1 77 PHE H 1 107 TRP HA 0.000 . 5.400 2.686 2.372 3.321 . 0 0 "[ . 1 . 2]" 1
1056 1 77 PHE QD 1 108 GLY H 0.000 . 6.000 4.142 3.591 4.861 . 0 0 "[ . 1 . 2]" 1
1057 1 78 THR H 1 79 VAL H 0.000 . 5.200 2.335 2.018 2.575 . 0 0 "[ . 1 . 2]" 1
1058 1 78 THR MG 1 79 VAL H 0.000 . 5.600 4.126 3.807 4.383 . 0 0 "[ . 1 . 2]" 1
1059 1 78 THR MG 1 86 GLN HB3 0.000 . 5.400 5.181 4.158 6.309 0.909 2 3 "[ + . * . - 2]" 1
1060 1 78 THR MG 1 103 VAL HB 0.000 . 5.000 5.032 4.307 5.350 0.350 13 0 "[ . 1 . 2]" 1
1061 1 79 VAL HA 1 80 ILE H 0.000 . 3.200 2.310 2.202 2.643 . 0 0 "[ . 1 . 2]" 1
1062 1 79 VAL HB 1 80 ILE H 0.000 . 4.200 4.072 2.338 4.252 0.052 19 0 "[ . 1 . 2]" 1
1063 1 79 VAL H 1 80 ILE H 0.000 . 5.600 3.993 3.823 4.333 . 0 0 "[ . 1 . 2]" 1
1064 1 80 ILE HA 1 80 ILE MG 0.000 . 3.000 2.391 2.256 2.616 . 0 0 "[ . 1 . 2]" 1
1065 1 80 ILE H 1 80 ILE HG13 0.000 . 3.800 3.127 2.540 4.265 0.465 16 0 "[ . 1 . 2]" 1
1066 1 80 ILE HB 1 80 ILE MD 0.000 . 3.000 2.575 2.274 3.092 0.092 8 0 "[ . 1 . 2]" 1
1067 1 80 ILE HB 1 81 SER H 0.000 . 5.400 4.212 4.030 4.376 . 0 0 "[ . 1 . 2]" 1
1068 1 80 ILE MG 1 83 GLN H 0.000 . 4.200 4.783 4.533 5.872 1.672 12 4 "[ - * 1 + .* 2]" 1
1069 1 80 ILE MD 1 85 CYS H 0.000 . 4.600 4.595 4.205 4.800 0.200 16 0 "[ . 1 . 2]" 1
1070 1 80 ILE MD 1 105 ARG HB2 0.000 . 5.000 5.342 4.685 5.713 0.713 10 8 "[ - * +* .*** *]" 1
1071 1 80 ILE MD 1 105 ARG HB3 0.000 . 5.400 4.786 3.837 5.705 0.305 14 0 "[ . 1 . 2]" 1
1072 1 80 ILE HG13 1 106 ALA MB 0.000 . 4.600 3.068 2.477 4.143 . 0 0 "[ . 1 . 2]" 1
1073 1 80 ILE MD 1 106 ALA MB 0.000 . 3.000 1.772 1.616 1.991 . 0 0 "[ . 1 . 2]" 1
1074 1 80 ILE MD 1 106 ALA HA 0.000 . 5.200 3.976 3.729 4.171 . 0 0 "[ . 1 . 2]" 1
1075 1 80 ILE MD 1 107 TRP H 0.000 . 4.600 4.426 4.084 4.682 0.082 12 0 "[ . 1 . 2]" 1
1076 1 80 ILE MD 1 113 MET HG2 0.000 . 4.600 4.056 2.002 4.699 0.099 5 0 "[ . 1 . 2]" 1
1077 1 80 ILE MD 1 113 MET QB 0.000 . 3.000 2.400 1.871 3.092 0.092 5 0 "[ . 1 . 2]" 1
1078 1 80 ILE MD 1 113 MET HG3 0.000 . 4.200 4.256 3.338 4.716 0.516 15 1 "[ . 1 + 2]" 1
1079 1 80 ILE MG 1 113 MET QB 0.000 . 3.400 3.406 2.623 3.701 0.301 5 0 "[ . 1 . 2]" 1
1080 1 81 SER HA 1 82 ASN H 0.000 . 3.800 2.694 2.289 2.821 . 0 0 "[ . 1 . 2]" 1
1081 1 82 ASN HB2 1 83 GLN H 0.000 . 5.600 3.720 2.874 4.241 . 0 0 "[ . 1 . 2]" 1
1082 1 82 ASN HB3 1 83 GLN H 0.000 . 5.400 3.849 2.721 4.293 . 0 0 "[ . 1 . 2]" 1
1083 1 82 ASN HA 1 83 GLN H 0.000 . 5.200 3.244 3.201 3.386 . 0 0 "[ . 1 . 2]" 1
1084 1 82 ASN H 1 83 GLN H 0.000 . 5.000 2.624 2.347 2.814 . 0 0 "[ . 1 . 2]" 1
1085 1 86 GLN H 1 86 GLN QG 0.000 . 5.000 3.776 2.803 4.146 . 0 0 "[ . 1 . 2]" 1
1086 1 86 GLN HE22 1 86 GLN QG 0.000 . 3.800 3.097 3.068 3.165 . 0 0 "[ . 1 . 2]" 1
1087 1 86 GLN HB3 1 86 GLN HE22 0.000 . 5.600 4.403 3.806 4.694 . 0 0 "[ . 1 . 2]" 1
1088 1 86 GLN HB2 1 86 GLN HE22 0.000 . 5.600 4.705 4.045 5.178 . 0 0 "[ . 1 . 2]" 1
1089 1 86 GLN HA 1 87 GLY HA2 0.000 . 5.400 4.856 4.190 4.999 . 0 0 "[ . 1 . 2]" 1
1090 1 86 GLN HB3 1 87 GLY HA3 0.000 . 5.400 4.390 3.694 5.058 . 0 0 "[ . 1 . 2]" 1
1091 1 86 GLN HA 1 87 GLY H 0.000 . 3.400 3.138 2.161 3.488 0.088 1 0 "[ . 1 . 2]" 1
1092 1 86 GLN HA 1 87 GLY HA3 0.000 . 5.400 4.484 4.234 4.640 . 0 0 "[ . 1 . 2]" 1
1093 1 86 GLN QG 1 87 GLY H 0.000 . 5.000 3.563 2.720 4.535 . 0 0 "[ . 1 . 2]" 1
1094 1 86 GLN HB2 1 87 GLY H 0.000 . 5.400 3.421 2.365 4.400 . 0 0 "[ . 1 . 2]" 1
1095 1 86 GLN HB3 1 87 GLY HA2 0.000 . 5.400 4.338 3.635 5.535 0.135 18 0 "[ . 1 . 2]" 1
1096 1 86 GLN HB3 1 87 GLY H 0.000 . 5.400 2.370 1.695 4.122 . 0 0 "[ . 1 . 2]" 1
1097 1 89 LEU HB3 1 89 LEU QD 0.000 . 3.000 2.287 2.070 2.400 . 0 0 "[ . 1 . 2]" 1
1098 1 89 LEU HA 1 89 LEU QD 0.000 . 3.400 2.387 1.904 3.078 . 0 0 "[ . 1 . 2]" 1
1099 1 90 SER HA 1 91 GLY H 0.000 . 4.200 2.346 2.215 3.481 . 0 0 "[ . 1 . 2]" 1
1100 1 91 GLY HA2 1 92 ILE H 0.000 . 5.400 3.014 2.705 3.170 . 0 0 "[ . 1 . 2]" 1
1101 1 91 GLY HA2 1 93 VAL QG 0.000 . 3.600 3.931 3.840 4.143 0.543 5 1 "[ + 1 . 2]" 1
1102 1 92 ILE HA 1 92 ILE MG 0.000 . 3.600 3.083 3.060 3.097 . 0 0 "[ . 1 . 2]" 1
1103 1 92 ILE HB 1 92 ILE MD 0.000 . 3.600 2.983 2.484 3.121 . 0 0 "[ . 1 . 2]" 1
1104 1 92 ILE HA 1 93 VAL QG 0.000 . 4.200 4.120 3.939 4.271 0.071 17 0 "[ . 1 . 2]" 1
1105 1 92 ILE HA 1 93 VAL H 0.000 . 5.200 2.249 2.171 2.371 . 0 0 "[ . 1 . 2]" 1
1106 1 92 ILE MD 1 94 SER HB2 0.000 . 5.000 2.182 1.968 3.196 . 0 0 "[ . 1 . 2]" 1
1107 1 92 ILE MG 1 94 SER HB3 0.000 . 4.600 4.681 4.058 4.895 0.295 2 0 "[ . 1 . 2]" 1
1108 1 92 ILE HA 1 94 SER H 0.000 . 5.400 5.238 4.783 5.580 0.180 20 0 "[ . 1 . 2]" 1
1109 1 92 ILE MD 1 94 SER HB3 0.000 . 5.200 2.599 2.271 3.081 . 0 0 "[ . 1 . 2]" 1
1110 1 92 ILE HG13 1 94 SER HB2 0.000 . 5.400 4.280 3.142 5.284 . 0 0 "[ . 1 . 2]" 1
1111 1 92 ILE MD 1 94 SER HA 0.000 . 5.200 3.968 3.706 4.744 . 0 0 "[ . 1 . 2]" 1
1112 1 92 ILE MG 1 94 SER HB2 0.000 . 4.600 4.562 3.567 4.717 0.117 7 0 "[ . 1 . 2]" 1
1113 1 92 ILE MD 1 99 CYS H 0.000 . 5.400 5.575 5.250 5.809 0.409 14 0 "[ . 1 . 2]" 1
1114 1 92 ILE MG 1 107 TRP HD1 0.000 . 5.200 4.740 3.930 5.315 0.115 4 0 "[ . 1 . 2]" 1
1115 1 93 VAL H 1 93 VAL QG 0.000 . 4.200 2.714 2.583 2.820 . 0 0 "[ . 1 . 2]" 1
1116 1 93 VAL QG 1 94 SER H 0.000 . 3.600 2.995 2.645 3.295 . 0 0 "[ . 1 . 2]" 1
1117 1 93 VAL HA 1 94 SER H 0.000 . 3.400 2.113 2.050 2.188 . 0 0 "[ . 1 . 2]" 1
1118 1 93 VAL HB 1 94 SER H 0.000 . 5.200 4.346 4.140 4.499 . 0 0 "[ . 1 . 2]" 1
1119 1 93 VAL QG 1 107 TRP HE1 0.000 . 5.000 4.284 3.851 4.764 . 0 0 "[ . 1 . 2]" 1
1120 1 93 VAL QG 1 107 TRP HZ2 0.000 . 5.200 4.580 4.006 5.201 0.001 17 0 "[ . 1 . 2]" 1
1121 1 94 SER HB2 1 95 THR H 0.000 . 5.000 3.696 2.308 3.889 . 0 0 "[ . 1 . 2]" 1
1122 1 94 SER HB3 1 95 THR H 0.000 . 4.600 3.043 2.318 3.591 . 0 0 "[ . 1 . 2]" 1
1123 1 94 SER HB2 1 95 THR MG 0.000 . 5.000 5.063 4.271 5.184 0.184 17 0 "[ . 1 . 2]" 1
1124 1 94 SER HB3 1 95 THR MG 0.000 . 4.600 4.704 4.137 5.088 0.488 14 0 "[ . 1 . 2]" 1
1125 1 94 SER HB2 1 99 CYS H 0.000 . 6.000 5.538 4.611 5.833 . 0 0 "[ . 1 . 2]" 1
1126 1 94 SER H 1 107 TRP HE1 0.000 . 5.400 2.933 2.563 3.236 . 0 0 "[ . 1 . 2]" 1
1127 1 95 THR HA 1 95 THR MG 0.000 . 3.000 2.417 2.354 2.457 . 0 0 "[ . 1 . 2]" 1
1128 1 95 THR H 1 95 THR MG 0.000 . 3.400 2.229 2.135 2.393 . 0 0 "[ . 1 . 2]" 1
1129 1 95 THR HA 1 96 LYS H 0.000 . 5.200 2.447 2.364 2.515 . 0 0 "[ . 1 . 2]" 1
1130 1 95 THR MG 1 96 LYS H 0.000 . 4.600 3.904 3.737 3.993 . 0 0 "[ . 1 . 2]" 1
1131 1 95 THR HA 1 96 LYS HB2 0.000 . 6.000 4.752 4.507 5.740 . 0 0 "[ . 1 . 2]" 1
1132 1 95 THR HB 1 96 LYS H 0.000 . 5.200 2.603 2.396 2.760 . 0 0 "[ . 1 . 2]" 1
1133 1 95 THR MG 1 97 THR H 0.000 . 5.000 4.352 4.004 4.591 . 0 0 "[ . 1 . 2]" 1
1134 1 95 THR HA 1 97 THR H 0.000 . 5.400 4.315 4.019 4.521 . 0 0 "[ . 1 . 2]" 1
1135 1 95 THR MG 1 97 THR HB 0.000 . 5.000 4.041 3.741 4.242 . 0 0 "[ . 1 . 2]" 1
1136 1 95 THR HB 1 97 THR H 0.000 . 5.400 3.078 2.566 3.411 . 0 0 "[ . 1 . 2]" 1
1137 1 95 THR H 1 98 LEU MD1 0.000 . 4.200 4.394 4.094 4.530 0.330 4 0 "[ . 1 . 2]" 1
1138 1 95 THR HB 1 98 LEU MD1 0.000 . 5.600 5.546 5.312 5.681 0.081 13 0 "[ . 1 . 2]" 1
1139 1 95 THR H 1 98 LEU H 0.000 . 5.600 3.525 3.394 3.694 . 0 0 "[ . 1 . 2]" 1
1140 1 95 THR MG 1 98 LEU MD2 0.000 . 3.400 2.516 2.039 3.624 0.224 2 0 "[ . 1 . 2]" 1
1141 1 95 THR MG 1 98 LEU H 0.000 . 4.600 3.935 3.855 4.049 . 0 0 "[ . 1 . 2]" 1
1142 1 95 THR H 1 98 LEU HB3 0.000 . 5.400 3.532 2.598 4.323 . 0 0 "[ . 1 . 2]" 1
1143 1 95 THR MG 1 99 CYS H 0.000 . 5.400 5.439 5.186 5.705 0.305 14 0 "[ . 1 . 2]" 1
1144 1 95 THR HB 1 107 TRP HE3 0.000 . 6.000 6.801 6.241 7.153 1.153 10 13 "[* ***** +* *- ***]" 1
1145 1 95 THR HA 1 107 TRP HH2 0.000 . 5.200 4.770 3.817 5.168 . 0 0 "[ . 1 . 2]" 1
1146 1 95 THR HB 1 107 TRP HH2 0.000 . 6.000 5.635 4.669 6.036 0.036 15 0 "[ . 1 . 2]" 1
1147 1 95 THR HA 1 107 TRP HE3 0.000 . 6.000 5.874 5.302 6.123 0.123 6 0 "[ . 1 . 2]" 1
1148 1 95 THR MG 1 107 TRP HE1 0.000 . 5.000 4.604 4.249 4.893 . 0 0 "[ . 1 . 2]" 1
1149 1 95 THR HB 1 107 TRP HE1 0.000 . 5.400 5.113 4.586 5.399 . 0 0 "[ . 1 . 2]" 1
1150 1 95 THR H 1 107 TRP HD1 0.000 . 6.000 4.929 4.649 5.271 . 0 0 "[ . 1 . 2]" 1
1151 1 95 THR HA 1 107 TRP HE1 0.000 . 5.000 2.908 2.424 3.198 . 0 0 "[ . 1 . 2]" 1
1152 1 96 LYS HB2 1 96 LYS HE2 0.000 . 5.400 4.231 2.877 4.536 . 0 0 "[ . 1 . 2]" 1
1153 1 96 LYS HB2 1 96 LYS HE3 0.000 . 5.400 4.338 2.317 4.516 . 0 0 "[ . 1 . 2]" 1
1154 1 96 LYS QG 1 97 THR H 0.000 . 5.400 3.443 2.441 3.789 . 0 0 "[ . 1 . 2]" 1
1155 1 96 LYS H 1 97 THR H 0.000 . 5.600 2.683 2.568 2.763 . 0 0 "[ . 1 . 2]" 1
1156 1 96 LYS HB2 1 97 THR H 0.000 . 5.600 3.742 3.569 4.133 . 0 0 "[ . 1 . 2]" 1
1157 1 96 LYS QD 1 97 THR H 0.000 . 5.400 4.557 2.324 4.865 . 0 0 "[ . 1 . 2]" 1
1158 1 96 LYS QG 1 99 CYS H 0.000 . 5.400 4.817 4.591 5.385 . 0 0 "[ . 1 . 2]" 1
1159 1 96 LYS HB2 1 99 CYS HB2 0.000 . 6.000 5.179 4.149 5.674 . 0 0 "[ . 1 . 2]" 1
1160 1 96 LYS HA 1 99 CYS H 0.000 . 5.400 3.361 2.930 3.543 . 0 0 "[ . 1 . 2]" 1
1161 1 96 LYS HA 1 99 CYS HB2 0.000 . 5.400 2.967 2.429 3.430 . 0 0 "[ . 1 . 2]" 1
1162 1 96 LYS HE2 1 107 TRP HE3 0.000 . 5.600 4.192 3.237 5.520 . 0 0 "[ . 1 . 2]" 1
1163 1 96 LYS HB2 1 107 TRP HD1 0.000 . 6.000 5.171 4.907 5.953 . 0 0 "[ . 1 . 2]" 1
1164 1 96 LYS HB2 1 107 TRP HE1 0.000 . 5.600 5.180 4.813 6.514 0.914 8 2 "[ . + 1 - . 2]" 1
1165 1 96 LYS QD 1 107 TRP HH2 0.000 . 6.000 4.587 3.732 4.939 . 0 0 "[ . 1 . 2]" 1
1166 1 96 LYS HA 1 107 TRP HE3 0.000 . 5.600 3.619 3.194 3.778 . 0 0 "[ . 1 . 2]" 1
1167 1 96 LYS HE2 1 107 TRP HZ3 0.000 . 5.600 5.278 4.629 5.664 0.064 19 0 "[ . 1 . 2]" 1
1168 1 96 LYS HB2 1 107 TRP HZ3 0.000 . 6.000 3.307 2.814 4.508 . 0 0 "[ . 1 . 2]" 1
1169 1 96 LYS HB2 1 107 TRP HA 0.000 . 6.000 5.775 5.165 5.978 . 0 0 "[ . 1 . 2]" 1
1170 1 96 LYS QG 1 107 TRP HZ3 0.000 . 5.200 4.396 3.589 4.701 . 0 0 "[ . 1 . 2]" 1
1171 1 96 LYS HA 1 107 TRP HE1 0.000 . 5.400 4.380 4.169 4.765 . 0 0 "[ . 1 . 2]" 1
1172 1 96 LYS HB2 1 107 TRP HH2 0.000 . 6.000 4.339 3.863 5.957 . 0 0 "[ . 1 . 2]" 1
1173 1 96 LYS QD 1 107 TRP HE3 0.000 . 5.200 2.255 1.987 3.584 . 0 0 "[ . 1 . 2]" 1
1174 1 96 LYS QD 1 107 TRP HZ3 0.000 . 5.600 2.911 2.544 3.186 . 0 0 "[ . 1 . 2]" 1
1175 1 96 LYS HA 1 107 TRP HZ3 0.000 . 5.200 5.058 4.681 5.186 . 0 0 "[ . 1 . 2]" 1
1176 1 96 LYS HE3 1 107 TRP HE3 0.000 . 5.600 4.260 3.450 5.615 0.015 12 0 "[ . 1 . 2]" 1
1177 1 96 LYS HA 1 107 TRP HB3 0.000 . 5.400 2.546 2.209 2.889 . 0 0 "[ . 1 . 2]" 1
1178 1 96 LYS HB2 1 107 TRP HB2 0.000 . 6.000 4.545 3.699 4.951 . 0 0 "[ . 1 . 2]" 1
1179 1 96 LYS QD 1 107 TRP HD1 0.000 . 6.000 6.047 5.828 7.169 1.169 8 2 "[ . + 1 - . 2]" 1
1180 1 96 LYS HE3 1 107 TRP HZ3 0.000 . 5.600 4.946 3.598 5.616 0.016 2 0 "[ . 1 . 2]" 1
1181 1 96 LYS HB3 1 107 TRP HZ3 0.000 . 5.600 4.156 2.930 4.571 . 0 0 "[ . 1 . 2]" 1
1182 1 96 LYS HB2 1 107 TRP HZ2 0.000 . 6.000 4.770 4.245 6.421 0.421 8 0 "[ . 1 . 2]" 1
1183 1 96 LYS QG 1 107 TRP HE3 0.000 . 4.200 3.195 2.565 3.875 . 0 0 "[ . 1 . 2]" 1
1184 1 96 LYS HB2 1 107 TRP HE3 0.000 . 6.000 2.617 2.218 3.177 . 0 0 "[ . 1 . 2]" 1
1185 1 96 LYS HB3 1 107 TRP HH2 0.000 . 6.000 5.012 4.351 5.263 . 0 0 "[ . 1 . 2]" 1
1186 1 96 LYS HB2 1 107 TRP HB3 0.000 . 6.000 3.356 2.373 3.699 . 0 0 "[ . 1 . 2]" 1
1187 1 96 LYS H 1 107 TRP HZ3 0.000 . 5.600 4.458 3.705 4.794 . 0 0 "[ . 1 . 2]" 1
1188 1 96 LYS HA 1 107 TRP HZ2 0.000 . 5.200 5.227 5.110 5.408 0.208 14 0 "[ . 1 . 2]" 1
1189 1 96 LYS QG 1 112 GLU HB3 0.000 . 5.400 4.465 3.676 4.717 . 0 0 "[ . 1 . 2]" 1
1190 1 96 LYS HE3 1 112 GLU HB3 0.000 . 5.400 2.584 1.981 4.985 . 0 0 "[ . 1 . 2]" 1
1191 1 96 LYS HE2 1 112 GLU HB2 0.000 . 5.400 3.174 2.333 5.949 0.549 13 1 "[ . 1 + . 2]" 1
1192 1 96 LYS QG 1 112 GLU HB2 0.000 . 5.000 4.077 3.834 4.838 . 0 0 "[ . 1 . 2]" 1
1193 1 96 LYS HE3 1 112 GLU HB2 0.000 . 5.000 3.103 2.459 5.312 0.312 12 0 "[ . 1 . 2]" 1
1194 1 97 THR HA 1 97 THR MG 0.000 . 3.000 2.264 2.193 2.384 . 0 0 "[ . 1 . 2]" 1
1195 1 97 THR HB 1 98 LEU HG 0.000 . 5.400 5.597 5.462 5.811 0.411 19 0 "[ . 1 . 2]" 1
1196 1 97 THR MG 1 98 LEU HA 0.000 . 5.000 3.792 3.257 4.010 . 0 0 "[ . 1 . 2]" 1
1197 1 97 THR H 1 98 LEU H 0.000 . 5.000 2.963 2.778 3.085 . 0 0 "[ . 1 . 2]" 1
1198 1 97 THR MG 1 98 LEU MD1 0.000 . 3.400 3.500 3.389 3.656 0.256 10 0 "[ . 1 . 2]" 1
1199 1 97 THR HA 1 98 LEU H 0.000 . 5.400 3.459 3.378 3.501 . 0 0 "[ . 1 . 2]" 1
1200 1 97 THR MG 1 98 LEU H 0.000 . 5.000 3.438 3.112 3.585 . 0 0 "[ . 1 . 2]" 1
1201 1 97 THR HB 1 98 LEU HB3 0.000 . 5.400 5.244 4.548 5.470 0.070 12 0 "[ . 1 . 2]" 1
1202 1 97 THR HB 1 98 LEU H 0.000 . 4.600 2.247 2.072 2.341 . 0 0 "[ . 1 . 2]" 1
1203 1 97 THR HA 1 100 CYS H 0.000 . 5.400 3.868 3.579 4.159 . 0 0 "[ . 1 . 2]" 1
1204 1 97 THR HA 1 101 ALA H 0.000 . 5.400 3.993 3.797 4.295 . 0 0 "[ . 1 . 2]" 1
1205 1 97 THR MG 1 101 ALA MB 0.000 . 3.000 3.181 3.069 3.305 0.305 8 0 "[ . 1 . 2]" 1
1206 1 97 THR MG 1 101 ALA H 0.000 . 5.000 4.250 4.014 4.368 . 0 0 "[ . 1 . 2]" 1
1207 1 97 THR HB 1 126 ILE MG 0.000 . 5.200 3.527 3.232 3.771 . 0 0 "[ . 1 . 2]" 1
1208 1 97 THR MG 1 126 ILE MG 0.000 . 2.800 1.959 1.877 2.136 . 0 0 "[ . 1 . 2]" 1
1209 1 97 THR MG 1 126 ILE MD 0.000 . 4.200 2.748 2.455 3.085 . 0 0 "[ . 1 . 2]" 1
1210 1 98 LEU H 1 98 LEU HG 0.000 . 5.200 4.114 4.034 4.249 . 0 0 "[ . 1 . 2]" 1
1211 1 98 LEU HA 1 98 LEU MD1 0.000 . 3.000 1.826 1.740 1.992 . 0 0 "[ . 1 . 2]" 1
1212 1 98 LEU H 1 98 LEU MD1 0.000 . 4.200 3.001 2.774 3.472 . 0 0 "[ . 1 . 2]" 1
1213 1 98 LEU HB3 1 99 CYS HA 0.000 . 5.400 3.845 3.627 3.987 . 0 0 "[ . 1 . 2]" 1
1214 1 98 LEU H 1 99 CYS H 0.000 . 5.200 2.903 2.779 3.020 . 0 0 "[ . 1 . 2]" 1
1215 1 98 LEU HA 1 99 CYS H 0.000 . 6.000 3.485 3.458 3.507 . 0 0 "[ . 1 . 2]" 1
1216 1 98 LEU MD1 1 99 CYS H 0.000 . 5.000 4.477 4.384 4.622 . 0 0 "[ . 1 . 2]" 1
1217 1 98 LEU HB2 1 99 CYS H 0.000 . 5.400 2.869 2.588 3.469 . 0 0 "[ . 1 . 2]" 1
1218 1 98 LEU HB3 1 99 CYS H 0.000 . 5.400 2.952 2.472 3.238 . 0 0 "[ . 1 . 2]" 1
1219 1 98 LEU HG 1 99 CYS H 0.000 . 6.000 4.850 4.174 5.089 . 0 0 "[ . 1 . 2]" 1
1220 1 98 LEU HB2 1 99 CYS HA 0.000 . 5.400 4.641 4.361 5.261 . 0 0 "[ . 1 . 2]" 1
1221 1 98 LEU MD2 1 101 ALA H 0.000 . 6.000 6.238 6.118 6.424 0.424 15 0 "[ . 1 . 2]" 1
1222 1 98 LEU HA 1 101 ALA MB 0.000 . 4.200 3.144 2.761 3.308 . 0 0 "[ . 1 . 2]" 1
1223 1 98 LEU HA 1 101 ALA H 0.000 . 5.400 3.750 3.402 3.940 . 0 0 "[ . 1 . 2]" 1
1224 1 98 LEU MD1 1 125 PHE H 0.000 . 6.000 6.107 6.023 6.198 0.198 15 0 "[ . 1 . 2]" 1
1225 1 98 LEU MD1 1 126 ILE HG13 0.000 . 3.600 2.629 2.219 3.124 . 0 0 "[ . 1 . 2]" 1
1226 1 98 LEU MD2 1 137 VAL MG1 0.000 . 3.400 3.536 3.147 3.673 0.273 9 0 "[ . 1 . 2]" 1
1227 1 98 LEU MD1 1 137 VAL MG2 0.000 . 2.800 2.638 2.425 2.989 0.189 15 0 "[ . 1 . 2]" 1
1228 1 98 LEU MD2 1 137 VAL MG2 0.000 . 5.400 4.518 3.847 4.865 . 0 0 "[ . 1 . 2]" 1
1229 1 98 LEU HA 1 137 VAL MG2 0.000 . 5.400 4.185 3.910 4.714 . 0 0 "[ . 1 . 2]" 1
1230 1 98 LEU MD1 1 137 VAL MG1 0.000 . 4.600 1.793 1.655 1.883 . 0 0 "[ . 1 . 2]" 1
1231 1 98 LEU MD2 1 142 ALA MB 0.000 . 2.800 2.813 1.827 3.192 0.392 6 0 "[ . 1 . 2]" 1
1232 1 98 LEU MD1 1 142 ALA MB 0.000 . 2.800 2.962 2.866 3.118 0.318 2 0 "[ . 1 . 2]" 1
1233 1 99 CYS H 1 100 CYS HB2 0.000 . 6.000 4.970 4.650 5.265 . 0 0 "[ . 1 . 2]" 1
1234 1 99 CYS HB2 1 100 CYS H 0.000 . 5.200 3.305 2.940 3.855 . 0 0 "[ . 1 . 2]" 1
1235 1 99 CYS HB3 1 100 CYS H 0.000 . 5.200 3.758 2.788 3.928 . 0 0 "[ . 1 . 2]" 1
1236 1 99 CYS H 1 100 CYS H 0.000 . 5.200 2.718 2.552 2.942 . 0 0 "[ . 1 . 2]" 1
1237 1 99 CYS HA 1 100 CYS H 0.000 . 5.400 3.401 3.327 3.495 . 0 0 "[ . 1 . 2]" 1
1238 1 99 CYS HB3 1 101 ALA H 0.000 . 6.000 5.795 5.119 5.989 . 0 0 "[ . 1 . 2]" 1
1239 1 99 CYS HB2 1 101 ALA H 0.000 . 6.000 5.512 5.219 5.825 . 0 0 "[ . 1 . 2]" 1
1240 1 99 CYS H 1 101 ALA H 0.000 . 5.400 4.282 3.980 4.506 . 0 0 "[ . 1 . 2]" 1
1241 1 99 CYS HA 1 101 ALA H 0.000 . 5.600 4.548 4.110 4.879 . 0 0 "[ . 1 . 2]" 1
1242 1 99 CYS H 1 107 TRP HD1 0.000 . 5.200 4.338 3.970 4.693 . 0 0 "[ . 1 . 2]" 1
1243 1 100 CYS H 1 101 ALA H 0.000 . 5.000 2.429 2.272 2.602 . 0 0 "[ . 1 . 2]" 1
1244 1 100 CYS HB3 1 101 ALA H 0.000 . 5.600 3.835 3.415 4.116 . 0 0 "[ . 1 . 2]" 1
1245 1 100 CYS HB2 1 101 ALA H 0.000 . 5.400 2.991 2.640 3.351 . 0 0 "[ . 1 . 2]" 1
1246 1 100 CYS HA 1 101 ALA H 0.000 . 5.400 3.468 3.383 3.526 . 0 0 "[ . 1 . 2]" 1
1247 1 100 CYS H 1 101 ALA MB 0.000 . 5.600 4.134 4.031 4.278 . 0 0 "[ . 1 . 2]" 1
1248 1 100 CYS HA 1 105 ARG H 0.000 . 5.600 4.141 2.882 5.647 0.047 5 0 "[ . 1 . 2]" 1
1249 1 101 ALA H 1 101 ALA MB 0.000 . 3.200 2.204 2.180 2.232 . 0 0 "[ . 1 . 2]" 1
1250 1 101 ALA HA 1 102 THR H 0.000 . 5.000 3.425 3.388 3.444 . 0 0 "[ . 1 . 2]" 1
1251 1 101 ALA H 1 102 THR H 0.000 . 3.400 2.614 2.433 2.724 . 0 0 "[ . 1 . 2]" 1
1252 1 101 ALA H 1 102 THR HA 0.000 . 5.400 4.969 4.859 5.047 . 0 0 "[ . 1 . 2]" 1
1253 1 101 ALA MB 1 102 THR MG 0.000 . 2.800 2.614 2.388 2.950 0.150 16 0 "[ . 1 . 2]" 1
1254 1 101 ALA MB 1 102 THR H 0.000 . 3.800 2.271 2.136 2.476 . 0 0 "[ . 1 . 2]" 1
1255 1 101 ALA H 1 117 GLN HA 0.000 . 5.600 4.968 4.078 5.761 0.161 8 0 "[ . 1 . 2]" 1
1256 1 101 ALA MB 1 123 ARG HA 0.000 . 4.600 3.535 3.315 3.817 . 0 0 "[ . 1 . 2]" 1
1257 1 101 ALA MB 1 123 ARG HB2 0.000 . 4.600 4.796 4.452 5.535 0.935 19 4 "[ . *1 .*- +2]" 1
1258 1 101 ALA MB 1 125 PHE H 0.000 . 5.200 3.612 3.494 3.962 . 0 0 "[ . 1 . 2]" 1
1259 1 101 ALA MB 1 125 PHE QD 0.000 . 5.200 5.555 5.425 5.681 0.481 3 0 "[ . 1 . 2]" 1
1260 1 101 ALA MB 1 126 ILE MG 0.000 . 3.000 3.236 3.113 3.365 0.365 19 0 "[ . 1 . 2]" 1
1261 1 101 ALA H 1 126 ILE MD 0.000 . 5.600 4.290 4.054 4.528 . 0 0 "[ . 1 . 2]" 1
1262 1 101 ALA H 1 126 ILE MG 0.000 . 6.000 5.263 5.089 5.416 . 0 0 "[ . 1 . 2]" 1
1263 1 101 ALA MB 1 126 ILE H 0.000 . 6.000 4.974 4.809 5.169 . 0 0 "[ . 1 . 2]" 1
1264 1 101 ALA H 1 137 VAL MG2 0.000 . 6.000 6.146 6.029 6.220 0.220 13 0 "[ . 1 . 2]" 1
1265 1 102 THR H 1 102 THR MG 0.000 . 3.600 2.240 1.962 2.773 . 0 0 "[ . 1 . 2]" 1
1266 1 102 THR HA 1 102 THR MG 0.000 . 3.000 2.412 2.196 2.530 . 0 0 "[ . 1 . 2]" 1
1267 1 102 THR H 1 103 VAL H 0.000 . 5.200 4.353 4.165 4.423 . 0 0 "[ . 1 . 2]" 1
1268 1 102 THR MG 1 103 VAL H 0.000 . 4.200 3.897 3.505 4.170 . 0 0 "[ . 1 . 2]" 1
1269 1 102 THR HB 1 103 VAL MG1 0.000 . 5.400 4.835 3.021 5.371 . 0 0 "[ . 1 . 2]" 1
1270 1 102 THR H 1 104 GLY H 0.000 . 5.200 4.098 3.889 4.343 . 0 0 "[ . 1 . 2]" 1
1271 1 102 THR H 1 117 GLN HA 0.000 . 5.400 5.650 5.305 5.806 0.406 2 0 "[ . 1 . 2]" 1
1272 1 102 THR MG 1 125 PHE H 0.000 . 6.000 3.700 3.251 4.626 . 0 0 "[ . 1 . 2]" 1
1273 1 102 THR MG 1 126 ILE H 0.000 . 6.000 5.506 5.061 6.061 0.061 10 0 "[ . 1 . 2]" 1
1274 1 102 THR H 1 126 ILE MD 0.000 . 4.200 4.045 3.740 4.330 0.130 5 0 "[ . 1 . 2]" 1
1275 1 102 THR MG 1 137 VAL MG2 0.000 . 3.000 1.863 1.715 2.080 . 0 0 "[ . 1 . 2]" 1
1276 1 102 THR MG 1 137 VAL MG1 0.000 . 3.400 3.398 3.216 3.520 0.120 8 0 "[ . 1 . 2]" 1
1277 1 102 THR HB 1 146 LEU QD 0.000 . 6.000 4.485 3.832 4.915 . 0 0 "[ . 1 . 2]" 1
1278 1 103 VAL H 1 103 VAL MG2 0.000 . 3.600 2.553 1.628 3.216 . 0 0 "[ . 1 . 2]" 1
1279 1 103 VAL H 1 103 VAL MG1 0.000 . 3.600 3.464 1.934 3.735 0.135 9 0 "[ . 1 . 2]" 1
1280 1 103 VAL HA 1 103 VAL MG2 0.000 . 2.800 2.648 2.523 3.115 0.315 11 0 "[ . 1 . 2]" 1
1281 1 103 VAL MG1 1 103 VAL MG2 0.000 . 2.800 2.051 2.034 2.061 . 0 0 "[ . 1 . 2]" 1
1282 1 103 VAL MG2 1 104 GLY H 0.000 . 5.000 3.545 2.510 4.056 . 0 0 "[ . 1 . 2]" 1
1283 1 103 VAL H 1 104 GLY H 0.000 . 5.000 3.494 3.263 3.705 . 0 0 "[ . 1 . 2]" 1
1284 1 103 VAL MG1 1 104 GLY H 0.000 . 4.200 3.952 3.716 4.370 0.170 6 0 "[ . 1 . 2]" 1
1285 1 103 VAL HB 1 104 GLY HA3 0.000 . 5.400 4.820 4.507 5.196 . 0 0 "[ . 1 . 2]" 1
1286 1 103 VAL HA 1 104 GLY HA3 0.000 . 5.400 4.472 4.283 4.595 . 0 0 "[ . 1 . 2]" 1
1287 1 103 VAL HA 1 104 GLY H 0.000 . 5.000 3.496 3.295 3.552 . 0 0 "[ . 1 . 2]" 1
1288 1 103 VAL HB 1 146 LEU QD 0.000 . 6.000 3.803 3.308 4.705 . 0 0 "[ . 1 . 2]" 1
1289 1 103 VAL HA 1 146 LEU QD 0.000 . 6.000 4.430 3.486 5.753 . 0 0 "[ . 1 . 2]" 1
1290 1 103 VAL MG1 1 146 LEU QD 0.000 . 5.200 2.575 1.996 3.625 . 0 0 "[ . 1 . 2]" 1
1291 1 103 VAL MG2 1 146 LEU QD 0.000 . 4.200 2.130 1.801 3.200 . 0 0 "[ . 1 . 2]" 1
1292 1 103 VAL MG2 1 159 PHE QE 0.000 . 4.800 2.829 2.089 4.278 . 0 0 "[ . 1 . 2]" 1
1293 1 103 VAL MG1 1 159 PHE QE 0.000 . 5.200 3.726 2.191 4.093 . 0 0 "[ . 1 . 2]" 1
1294 1 103 VAL MG1 1 159 PHE HZ 0.000 . 5.200 3.435 2.341 3.980 . 0 0 "[ . 1 . 2]" 1
1295 1 103 VAL MG2 1 159 PHE HZ 0.000 . 4.800 3.410 2.265 5.124 0.324 3 0 "[ . 1 . 2]" 1
1296 1 103 VAL MG1 1 159 PHE QD 0.000 . 5.600 5.421 3.905 5.769 0.169 2 0 "[ . 1 . 2]" 1
1297 1 103 VAL MG2 1 159 PHE QD 0.000 . 4.800 4.438 3.807 5.715 0.915 11 3 "[ * .- 1+ . 2]" 1
1298 1 103 VAL HA 1 159 PHE QE 0.000 . 5.200 4.339 3.630 5.116 . 0 0 "[ . 1 . 2]" 1
1299 1 103 VAL HA 1 159 PHE HZ 0.000 . 5.600 4.790 3.938 5.795 0.195 6 0 "[ . 1 . 2]" 1
1300 1 104 GLY H 1 105 ARG H 0.000 . 5.000 3.663 2.836 4.477 . 0 0 "[ . 1 . 2]" 1
1301 1 104 GLY HA3 1 105 ARG H 0.000 . 5.000 2.951 2.170 3.506 . 0 0 "[ . 1 . 2]" 1
1302 1 105 ARG HB2 1 105 ARG HG2 0.000 . 3.000 2.520 2.309 2.831 . 0 0 "[ . 1 . 2]" 1
1303 1 105 ARG H 1 105 ARG HD2 0.000 . 6.000 4.305 1.872 5.100 . 0 0 "[ . 1 . 2]" 1
1304 1 105 ARG HD2 1 105 ARG HG2 0.000 . 2.800 2.618 2.314 2.835 0.035 17 0 "[ . 1 . 2]" 1
1305 1 105 ARG HB3 1 106 ALA H 0.000 . 5.400 2.719 1.959 3.201 . 0 0 "[ . 1 . 2]" 1
1306 1 105 ARG H 1 106 ALA H 0.000 . 4.600 3.514 2.755 4.425 . 0 0 "[ . 1 . 2]" 1
1307 1 105 ARG HA 1 106 ALA H 0.000 . 5.600 3.409 3.072 3.559 . 0 0 "[ . 1 . 2]" 1
1308 1 105 ARG H 1 106 ALA MB 0.000 . 6.000 4.882 4.643 5.332 . 0 0 "[ . 1 . 2]" 1
1309 1 105 ARG HB2 1 106 ALA H 0.000 . 5.600 2.028 1.705 2.588 . 0 0 "[ . 1 . 2]" 1
1310 1 106 ALA MB 1 107 TRP H 0.000 . 4.600 2.394 2.286 2.524 . 0 0 "[ . 1 . 2]" 1
1311 1 106 ALA MB 1 107 TRP HA 0.000 . 5.000 3.877 3.767 4.002 . 0 0 "[ . 1 . 2]" 1
1312 1 106 ALA HA 1 107 TRP H 0.000 . 5.400 2.540 2.467 2.635 . 0 0 "[ . 1 . 2]" 1
1313 1 106 ALA HA 1 107 TRP HE3 0.000 . 6.000 6.118 5.942 6.256 0.256 5 0 "[ . 1 . 2]" 1
1314 1 106 ALA MB 1 107 TRP HE3 0.000 . 5.600 5.800 5.727 5.879 0.279 17 0 "[ . 1 . 2]" 1
1315 1 106 ALA H 1 107 TRP H 0.000 . 5.800 4.203 4.153 4.254 . 0 0 "[ . 1 . 2]" 1
1316 1 106 ALA MB 1 112 GLU H 0.000 . 4.600 3.561 3.091 4.232 . 0 0 "[ . 1 . 2]" 1
1317 1 106 ALA MB 1 113 MET HG2 0.000 . 5.400 4.424 3.143 4.919 . 0 0 "[ . 1 . 2]" 1
1318 1 106 ALA MB 1 113 MET HA 0.000 . 3.600 1.970 1.802 2.220 . 0 0 "[ . 1 . 2]" 1
1319 1 106 ALA MB 1 113 MET H 0.000 . 5.000 3.726 3.453 3.902 . 0 0 "[ . 1 . 2]" 1
1320 1 106 ALA HA 1 113 MET HA 0.000 . 5.400 2.567 2.119 2.982 . 0 0 "[ . 1 . 2]" 1
1321 1 106 ALA MB 1 113 MET QB 0.000 . 4.600 2.698 2.233 3.329 . 0 0 "[ . 1 . 2]" 1
1322 1 106 ALA MB 1 113 MET HG3 0.000 . 4.200 4.268 3.407 4.876 0.676 11 3 "[ . -* 1+ . 2]" 1
1323 1 106 ALA HA 1 114 CYS H 0.000 . 5.400 2.781 2.285 3.113 . 0 0 "[ . 1 . 2]" 1
1324 1 106 ALA MB 1 114 CYS H 0.000 . 4.600 3.095 2.605 3.654 . 0 0 "[ . 1 . 2]" 1
1325 1 107 TRP HB2 1 107 TRP HE1 0.000 . 5.400 4.649 4.623 4.671 . 0 0 "[ . 1 . 2]" 1
1326 1 107 TRP HB3 1 107 TRP HE3 0.000 . 4.200 2.681 2.614 2.804 . 0 0 "[ . 1 . 2]" 1
1327 1 107 TRP H 1 107 TRP HE3 0.000 . 6.000 3.984 3.914 4.051 . 0 0 "[ . 1 . 2]" 1
1328 1 107 TRP HA 1 107 TRP HD1 0.000 . 5.200 3.551 3.487 3.615 . 0 0 "[ . 1 . 2]" 1
1329 1 107 TRP HA 1 107 TRP HE1 0.000 . 6.000 5.228 5.172 5.308 . 0 0 "[ . 1 . 2]" 1
1330 1 107 TRP HA 1 107 TRP HZ3 0.000 . 6.000 6.111 6.053 6.169 0.169 13 0 "[ . 1 . 2]" 1
1331 1 107 TRP HZ3 1 108 GLY H 0.000 . 6.000 5.072 4.937 5.205 . 0 0 "[ . 1 . 2]" 1
1332 1 107 TRP HB2 1 108 GLY H 0.000 . 5.600 4.060 3.982 4.150 . 0 0 "[ . 1 . 2]" 1
1333 1 107 TRP HE3 1 108 GLY HA2 0.000 . 6.000 3.809 3.162 4.132 . 0 0 "[ . 1 . 2]" 1
1334 1 107 TRP HD1 1 108 GLY H 0.000 . 6.000 4.187 4.064 4.398 . 0 0 "[ . 1 . 2]" 1
1335 1 107 TRP HB3 1 108 GLY H 0.000 . 5.400 4.071 4.018 4.171 . 0 0 "[ . 1 . 2]" 1
1336 1 107 TRP HA 1 108 GLY H 0.000 . 5.200 2.307 2.270 2.356 . 0 0 "[ . 1 . 2]" 1
1337 1 107 TRP HZ3 1 108 GLY HA2 0.000 . 6.000 4.029 3.307 4.472 . 0 0 "[ . 1 . 2]" 1
1338 1 107 TRP HD1 1 108 GLY HA2 0.000 . 6.000 5.561 5.430 5.659 . 0 0 "[ . 1 . 2]" 1
1339 1 107 TRP HH2 1 108 GLY HA3 0.000 . 6.000 4.305 4.019 4.854 . 0 0 "[ . 1 . 2]" 1
1340 1 107 TRP HE3 1 108 GLY H 0.000 . 6.000 3.791 3.682 3.915 . 0 0 "[ . 1 . 2]" 1
1341 1 107 TRP HZ3 1 109 HIS H 0.000 . 5.200 4.842 4.382 5.296 0.096 6 0 "[ . 1 . 2]" 1
1342 1 107 TRP HE3 1 112 GLU HA 0.000 . 6.000 5.953 5.497 6.156 0.156 9 0 "[ . 1 . 2]" 1
1343 1 107 TRP HE3 1 112 GLU HG3 0.000 . 5.200 3.966 3.193 4.484 . 0 0 "[ . 1 . 2]" 1
1344 1 107 TRP HZ3 1 112 GLU QB 0.000 . 5.600 4.310 3.820 4.532 . 0 0 "[ . 1 . 2]" 1
1345 1 107 TRP HE3 1 112 GLU HG2 0.000 . 5.400 5.067 3.951 5.450 0.050 9 0 "[ . 1 . 2]" 1
1346 1 107 TRP HE3 1 112 GLU HB2 0.000 . 5.600 3.200 2.798 3.388 . 0 0 "[ . 1 . 2]" 1
1347 1 107 TRP HE3 1 112 GLU QB 0.000 . 4.200 3.131 2.751 3.319 . 0 0 "[ . 1 . 2]" 1
1348 1 107 TRP HH2 1 112 GLU QG 0.000 . 6.000 6.041 5.388 6.160 0.160 20 0 "[ . 1 . 2]" 1
1349 1 108 GLY HA2 1 109 HIS H 0.000 . 3.800 2.482 2.343 2.636 . 0 0 "[ . 1 . 2]" 1
1350 1 108 GLY HA3 1 109 HIS H 0.000 . 5.400 2.648 2.484 2.850 . 0 0 "[ . 1 . 2]" 1
1351 1 108 GLY H 1 109 HIS H 0.000 . 5.000 4.323 4.193 4.439 . 0 0 "[ . 1 . 2]" 1
1352 1 109 HIS H 1 109 HIS HB2 0.000 . 4.200 3.078 2.361 3.689 . 0 0 "[ . 1 . 2]" 1
1353 1 110 PRO HB2 1 111 CYS H 0.000 . 5.400 3.362 2.691 3.919 . 0 0 "[ . 1 . 2]" 1
1354 1 112 GLU H 1 112 GLU HG3 0.000 . 5.400 2.782 2.040 3.894 . 0 0 "[ . 1 . 2]" 1
1355 1 112 GLU H 1 112 GLU HG2 0.000 . 5.400 3.230 1.985 3.802 . 0 0 "[ . 1 . 2]" 1
1356 1 112 GLU HG2 1 113 MET H 0.000 . 5.000 4.795 4.624 5.122 0.122 5 0 "[ . 1 . 2]" 1
1357 1 112 GLU HB2 1 113 MET H 0.000 . 4.000 4.204 4.035 4.420 0.420 13 0 "[ . 1 . 2]" 1
1358 1 112 GLU H 1 113 MET H 0.000 . 5.600 4.160 3.997 4.409 . 0 0 "[ . 1 . 2]" 1
1359 1 112 GLU HA 1 113 MET H 0.000 . 3.000 2.273 2.194 2.336 . 0 0 "[ . 1 . 2]" 1
1360 1 113 MET H 1 113 MET HA 0.000 . 3.000 2.695 2.654 2.721 . 0 0 "[ . 1 . 2]" 1
1361 1 113 MET H 1 113 MET HG2 0.000 . 3.800 3.251 1.874 4.111 0.311 9 0 "[ . 1 . 2]" 1
1362 1 113 MET H 1 113 MET HG3 0.000 . 3.600 2.956 1.882 4.300 0.700 4 2 "[ +. 1 . -2]" 1
1363 1 113 MET H 1 113 MET QB 0.000 . 3.200 2.450 1.948 2.821 . 0 0 "[ . 1 . 2]" 1
1364 1 113 MET H 1 114 CYS H 0.000 . 5.400 4.416 4.334 4.480 . 0 0 "[ . 1 . 2]" 1
1365 1 113 MET HA 1 114 CYS H 0.000 . 4.200 2.295 2.222 2.410 . 0 0 "[ . 1 . 2]" 1
1366 1 113 MET QB 1 114 CYS H 0.000 . 5.400 3.190 2.693 3.699 . 0 0 "[ . 1 . 2]" 1
1367 1 115 PRO HA 1 115 PRO HG3 0.000 . 3.600 3.052 2.880 3.354 . 0 0 "[ . 1 . 2]" 1
1368 1 115 PRO HA 1 116 ALA MB 0.000 . 5.200 4.117 4.009 4.238 . 0 0 "[ . 1 . 2]" 1
1369 1 115 PRO HB3 1 116 ALA MB 0.000 . 5.400 4.318 3.799 4.627 . 0 0 "[ . 1 . 2]" 1
1370 1 115 PRO HA 1 116 ALA H 0.000 . 3.800 2.389 2.196 2.530 . 0 0 "[ . 1 . 2]" 1
1371 1 115 PRO HB3 1 116 ALA H 0.000 . 5.400 3.099 2.868 3.818 . 0 0 "[ . 1 . 2]" 1
1372 1 115 PRO HB2 1 116 ALA H 0.000 . 5.400 3.284 2.904 3.736 . 0 0 "[ . 1 . 2]" 1
1373 1 115 PRO HB2 1 117 GLN H 0.000 . 5.000 4.761 3.370 5.302 0.302 6 0 "[ . 1 . 2]" 1
1374 1 115 PRO HB3 1 117 GLN H 0.000 . 5.400 5.532 4.451 5.829 0.429 18 0 "[ . 1 . 2]" 1
1375 1 116 ALA H 1 116 ALA MB 0.000 . 3.000 2.205 2.130 2.673 . 0 0 "[ . 1 . 2]" 1
1376 1 116 ALA MB 1 117 GLN HB3 0.000 . 5.400 4.020 3.156 5.015 . 0 0 "[ . 1 . 2]" 1
1377 1 116 ALA HA 1 117 GLN H 0.000 . 4.600 2.958 1.993 3.503 . 0 0 "[ . 1 . 2]" 1
1378 1 116 ALA H 1 117 GLN H 0.000 . 3.800 3.773 3.161 4.143 0.343 15 0 "[ . 1 . 2]" 1
1379 1 116 ALA MB 1 117 GLN H 0.000 . 3.000 2.253 1.749 3.287 0.287 7 0 "[ . 1 . 2]" 1
1380 1 116 ALA MB 1 117 GLN HG2 0.000 . 4.800 3.771 2.612 4.572 . 0 0 "[ . 1 . 2]" 1
1381 1 116 ALA MB 1 117 GLN HE22 0.000 . 5.600 4.162 2.126 5.719 0.119 13 0 "[ . 1 . 2]" 1
1382 1 116 ALA MB 1 117 GLN HB2 0.000 . 5.400 4.675 4.308 5.229 . 0 0 "[ . 1 . 2]" 1
1383 1 116 ALA MB 1 117 GLN HG3 0.000 . 3.800 3.184 2.495 4.207 0.407 19 0 "[ . 1 . 2]" 1
1384 1 116 ALA MB 1 117 GLN HE21 0.000 . 5.600 3.588 2.285 5.430 . 0 0 "[ . 1 . 2]" 1
1385 1 116 ALA MB 1 118 PRO HD3 0.000 . 5.400 4.943 3.846 5.729 0.329 16 0 "[ . 1 . 2]" 1
1386 1 117 GLN HA 1 117 GLN HE22 0.000 . 5.600 5.514 5.081 6.066 0.466 13 0 "[ . 1 . 2]" 1
1387 1 117 GLN H 1 117 GLN HG2 0.000 . 3.800 3.131 1.712 3.766 . 0 0 "[ . 1 . 2]" 1
1388 1 117 GLN HB3 1 117 GLN HE22 0.000 . 5.200 4.643 3.798 5.001 . 0 0 "[ . 1 . 2]" 1
1389 1 117 GLN HE21 1 117 GLN HG3 0.000 . 3.400 2.366 2.219 3.334 . 0 0 "[ . 1 . 2]" 1
1390 1 117 GLN H 1 117 GLN HB2 0.000 . 3.800 3.501 3.288 3.785 . 0 0 "[ . 1 . 2]" 1
1391 1 117 GLN HE22 1 117 GLN HG3 0.000 . 3.800 3.377 3.301 3.873 0.073 2 0 "[ . 1 . 2]" 1
1392 1 117 GLN H 1 117 GLN HB3 0.000 . 3.000 2.878 2.664 3.161 0.161 9 0 "[ . 1 . 2]" 1
1393 1 117 GLN HA 1 118 PRO HD2 0.000 . 5.000 2.528 1.861 3.426 . 0 0 "[ . 1 . 2]" 1
1394 1 117 GLN HB3 1 118 PRO HD2 0.000 . 5.400 4.203 3.836 4.812 . 0 0 "[ . 1 . 2]" 1
1395 1 117 GLN HB2 1 118 PRO HD3 0.000 . 5.000 4.132 2.283 5.181 0.181 19 0 "[ . 1 . 2]" 1
1396 1 117 GLN HB3 1 118 PRO HD3 0.000 . 5.000 4.296 3.638 5.226 0.226 7 0 "[ . 1 . 2]" 1
1397 1 117 GLN HB2 1 118 PRO HD2 0.000 . 5.400 3.816 2.362 4.776 . 0 0 "[ . 1 . 2]" 1
1398 1 117 GLN HB2 1 123 ARG H 0.000 . 5.400 4.253 3.062 5.425 0.025 9 0 "[ . 1 . 2]" 1
1399 1 117 GLN HB3 1 123 ARG H 0.000 . 5.400 3.702 2.135 5.448 0.048 17 0 "[ . 1 . 2]" 1
1400 1 118 PRO HB2 1 119 HIS H 0.000 . 5.200 2.546 1.718 4.304 . 0 0 "[ . 1 . 2]" 1
1401 1 118 PRO HB3 1 119 HIS H 0.000 . 5.000 3.687 3.181 4.453 . 0 0 "[ . 1 . 2]" 1
1402 1 119 HIS H 1 119 HIS HB3 0.000 . 3.200 3.422 3.369 3.549 0.349 14 0 "[ . 1 . 2]" 1
1403 1 119 HIS HB3 1 120 PRO HA 0.000 . 5.000 4.787 4.347 5.151 0.151 5 0 "[ . 1 . 2]" 1
1404 1 119 HIS HA 1 120 PRO HA 0.000 . 5.000 4.348 4.247 4.445 . 0 0 "[ . 1 . 2]" 1
1405 1 119 HIS H 1 120 PRO HA 0.000 . 5.400 5.280 4.807 5.468 0.068 18 0 "[ . 1 . 2]" 1
1406 1 121 CYS HA 1 122 ARG H 0.000 . 4.000 2.757 2.272 3.462 . 0 0 "[ . 1 . 2]" 1
1407 1 121 CYS HB3 1 122 ARG H 0.000 . 5.200 2.865 2.232 4.047 . 0 0 "[ . 1 . 2]" 1
1408 1 121 CYS HB2 1 122 ARG H 0.000 . 4.600 3.229 1.808 4.334 . 0 0 "[ . 1 . 2]" 1
1409 1 121 CYS HB2 1 134 CYS HB3 0.000 . 5.400 3.616 2.473 5.167 . 0 0 "[ . 1 . 2]" 1
1410 1 122 ARG H 1 122 ARG HG3 0.000 . 5.600 3.043 1.845 4.493 . 0 0 "[ . 1 . 2]" 1
1411 1 122 ARG H 1 122 ARG HG2 0.000 . 5.400 3.048 1.926 4.898 . 0 0 "[ . 1 . 2]" 1
1412 1 122 ARG H 1 122 ARG HD2 0.000 . 5.400 4.218 3.182 5.411 0.011 5 0 "[ . 1 . 2]" 1
1413 1 122 ARG H 1 123 ARG H 0.000 . 5.600 4.380 4.068 4.505 . 0 0 "[ . 1 . 2]" 1
1414 1 122 ARG HB2 1 123 ARG H 0.000 . 3.600 3.811 2.978 4.319 0.719 5 2 "[ + - 1 . 2]" 1
1415 1 122 ARG HA 1 123 ARG H 0.000 . 3.400 2.322 2.241 2.424 . 0 0 "[ . 1 . 2]" 1
1416 1 122 ARG HB3 1 125 PHE QD 0.000 . 4.800 3.226 2.231 4.762 . 0 0 "[ . 1 . 2]" 1
1417 1 122 ARG HD2 1 125 PHE QE 0.000 . 5.600 3.710 2.268 5.683 0.083 7 0 "[ . 1 . 2]" 1
1418 1 122 ARG HB2 1 125 PHE H 0.000 . 5.400 4.100 3.386 5.583 0.183 9 0 "[ . 1 . 2]" 1
1419 1 122 ARG HB2 1 125 PHE QD 0.000 . 5.200 2.448 1.912 3.826 . 0 0 "[ . 1 . 2]" 1
1420 1 122 ARG HG2 1 125 PHE QE 0.000 . 5.200 4.214 3.104 4.900 . 0 0 "[ . 1 . 2]" 1
1421 1 122 ARG HB2 1 125 PHE HZ 0.000 . 6.000 4.498 4.170 5.650 . 0 0 "[ . 1 . 2]" 1
1422 1 122 ARG HG3 1 125 PHE QD 0.000 . 5.200 4.012 2.402 5.046 . 0 0 "[ . 1 . 2]" 1
1423 1 122 ARG HG3 1 125 PHE H 0.000 . 5.600 5.799 4.456 6.325 0.725 5 5 "[ **+ 1 * . -]" 1
1424 1 122 ARG HG3 1 125 PHE HZ 0.000 . 6.000 4.879 3.813 6.009 0.009 9 0 "[ . 1 . 2]" 1
1425 1 122 ARG HB3 1 125 PHE QE 0.000 . 5.200 3.407 2.494 4.793 . 0 0 "[ . 1 . 2]" 1
1426 1 122 ARG HA 1 125 PHE QE 0.000 . 5.600 5.334 4.800 5.621 0.021 15 0 "[ . 1 . 2]" 1
1427 1 122 ARG HA 1 125 PHE QD 0.000 . 5.600 4.471 3.995 4.733 . 0 0 "[ . 1 . 2]" 1
1428 1 122 ARG HG3 1 125 PHE QE 0.000 . 5.200 3.885 2.474 4.877 . 0 0 "[ . 1 . 2]" 1
1429 1 122 ARG HG2 1 125 PHE QD 0.000 . 5.200 4.285 3.328 4.899 . 0 0 "[ . 1 . 2]" 1
1430 1 122 ARG HB2 1 125 PHE QE 0.000 . 5.200 2.971 2.156 3.895 . 0 0 "[ . 1 . 2]" 1
1431 1 122 ARG HG2 1 125 PHE HZ 0.000 . 6.000 5.302 4.240 5.942 . 0 0 "[ . 1 . 2]" 1
1432 1 123 ARG HA 1 124 GLY H 0.000 . 5.200 3.479 3.455 3.501 . 0 0 "[ . 1 . 2]" 1
1433 1 123 ARG HB2 1 124 GLY H 0.000 . 5.600 3.468 2.422 3.869 . 0 0 "[ . 1 . 2]" 1
1434 1 123 ARG HA 1 125 PHE H 0.000 . 5.000 3.747 3.576 4.054 . 0 0 "[ . 1 . 2]" 1
1435 1 124 GLY HA3 1 125 PHE QE 0.000 . 5.600 3.933 3.758 4.340 . 0 0 "[ . 1 . 2]" 1
1436 1 124 GLY HA2 1 125 PHE H 0.000 . 5.600 3.166 3.082 3.258 . 0 0 "[ . 1 . 2]" 1
1437 1 124 GLY HA3 1 125 PHE HZ 0.000 . 6.000 5.871 5.406 6.053 0.053 6 0 "[ . 1 . 2]" 1
1438 1 124 GLY H 1 125 PHE H 0.000 . 4.000 2.906 2.847 3.009 . 0 0 "[ . 1 . 2]" 1
1439 1 125 PHE H 1 125 PHE QE 0.000 . 5.000 4.613 4.313 4.735 . 0 0 "[ . 1 . 2]" 1
1440 1 125 PHE HA 1 125 PHE QE 0.000 . 5.600 4.591 4.460 4.818 . 0 0 "[ . 1 . 2]" 1
1441 1 125 PHE H 1 125 PHE QD 0.000 . 3.800 2.503 2.283 2.686 . 0 0 "[ . 1 . 2]" 1
1442 1 125 PHE H 1 126 ILE HG12 0.000 . 6.000 5.206 5.024 5.345 . 0 0 "[ . 1 . 2]" 1
1443 1 125 PHE HB2 1 126 ILE H 0.000 . 5.400 3.736 3.121 3.994 . 0 0 "[ . 1 . 2]" 1
1444 1 125 PHE H 1 126 ILE H 0.000 . 5.400 4.291 4.233 4.318 . 0 0 "[ . 1 . 2]" 1
1445 1 125 PHE HA 1 126 ILE H 0.000 . 4.000 2.289 2.190 2.471 . 0 0 "[ . 1 . 2]" 1
1446 1 125 PHE H 1 126 ILE MD 0.000 . 5.600 3.690 3.484 3.883 . 0 0 "[ . 1 . 2]" 1
1447 1 125 PHE QE 1 126 ILE H 0.000 . 6.000 5.952 5.822 6.098 0.098 20 0 "[ . 1 . 2]" 1
1448 1 125 PHE H 1 126 ILE MG 0.000 . 5.600 5.620 5.395 5.708 0.108 18 0 "[ . 1 . 2]" 1
1449 1 125 PHE HB3 1 126 ILE H 0.000 . 5.600 2.737 2.276 3.026 . 0 0 "[ . 1 . 2]" 1
1450 1 125 PHE QD 1 126 ILE H 0.000 . 6.000 4.141 3.868 4.322 . 0 0 "[ . 1 . 2]" 1
1451 1 125 PHE QE 1 134 CYS HA 0.000 . 5.600 5.657 5.567 5.765 0.165 9 0 "[ . 1 . 2]" 1
1452 1 125 PHE HZ 1 134 CYS HB2 0.000 . 6.000 5.921 5.600 6.022 0.022 2 0 "[ . 1 . 2]" 1
1453 1 125 PHE QD 1 134 CYS HB2 0.000 . 4.800 2.935 2.351 3.860 . 0 0 "[ . 1 . 2]" 1
1454 1 125 PHE QD 1 134 CYS HA 0.000 . 5.200 3.726 3.592 4.072 . 0 0 "[ . 1 . 2]" 1
1455 1 125 PHE QE 1 134 CYS HB2 0.000 . 5.600 4.238 3.957 4.601 . 0 0 "[ . 1 . 2]" 1
1456 1 125 PHE QD 1 135 GLN HA 0.000 . 4.800 2.740 2.404 3.035 . 0 0 "[ . 1 . 2]" 1
1457 1 125 PHE HZ 1 135 GLN HA 0.000 . 6.000 5.508 5.084 6.053 0.053 20 0 "[ . 1 . 2]" 1
1458 1 125 PHE QE 1 135 GLN HA 0.000 . 5.200 3.530 3.237 3.851 . 0 0 "[ . 1 . 2]" 1
1459 1 125 PHE QE 1 136 ASP H 0.000 . 5.400 3.373 2.964 3.673 . 0 0 "[ . 1 . 2]" 1
1460 1 125 PHE QE 1 136 ASP HA 0.000 . 5.200 3.932 3.705 4.289 . 0 0 "[ . 1 . 2]" 1
1461 1 125 PHE QD 1 136 ASP HB3 0.000 . 5.200 4.483 3.869 4.721 . 0 0 "[ . 1 . 2]" 1
1462 1 125 PHE QE 1 136 ASP HB2 0.000 . 5.200 2.877 2.580 3.240 . 0 0 "[ . 1 . 2]" 1
1463 1 125 PHE QD 1 136 ASP H 0.000 . 5.000 3.289 2.582 3.795 . 0 0 "[ . 1 . 2]" 1
1464 1 125 PHE H 1 136 ASP HA 0.000 . 6.000 4.265 4.132 4.418 . 0 0 "[ . 1 . 2]" 1
1465 1 125 PHE HZ 1 136 ASP HA 0.000 . 6.000 4.832 4.567 5.481 . 0 0 "[ . 1 . 2]" 1
1466 1 125 PHE HA 1 136 ASP HA 0.000 . 5.400 2.294 2.016 2.442 . 0 0 "[ . 1 . 2]" 1
1467 1 125 PHE QD 1 136 ASP HA 0.000 . 4.800 3.251 3.046 3.452 . 0 0 "[ . 1 . 2]" 1
1468 1 125 PHE QE 1 136 ASP HB3 0.000 . 5.200 3.905 3.702 4.145 . 0 0 "[ . 1 . 2]" 1
1469 1 125 PHE HZ 1 136 ASP HB2 0.000 . 5.600 3.112 2.751 3.905 . 0 0 "[ . 1 . 2]" 1
1470 1 125 PHE H 1 137 VAL MG2 0.000 . 6.000 4.379 4.124 4.732 . 0 0 "[ . 1 . 2]" 1
1471 1 125 PHE HA 1 137 VAL H 0.000 . 5.200 3.504 3.162 3.852 . 0 0 "[ . 1 . 2]" 1
1472 1 125 PHE HA 1 137 VAL MG1 0.000 . 4.200 3.588 3.418 3.741 . 0 0 "[ . 1 . 2]" 1
1473 1 125 PHE HA 1 137 VAL MG2 0.000 . 5.600 3.733 3.313 4.131 . 0 0 "[ . 1 . 2]" 1
1474 1 125 PHE QD 1 137 VAL MG2 0.000 . 6.000 5.053 4.785 5.264 . 0 0 "[ . 1 . 2]" 1
1475 1 125 PHE H 1 137 VAL H 0.000 . 6.000 4.998 4.828 5.224 . 0 0 "[ . 1 . 2]" 1
1476 1 125 PHE QD 1 137 VAL MG1 0.000 . 5.200 5.480 5.409 5.560 0.360 9 0 "[ . 1 . 2]" 1
1477 1 125 PHE H 1 137 VAL MG1 0.000 . 5.000 5.091 5.032 5.150 0.150 7 0 "[ . 1 . 2]" 1
1478 1 125 PHE QE 1 137 VAL MG2 0.000 . 6.000 5.932 5.681 6.235 0.235 20 0 "[ . 1 . 2]" 1
1479 1 125 PHE QD 1 156 VAL HB 0.000 . 5.200 4.675 4.497 5.485 0.285 20 0 "[ . 1 . 2]" 1
1480 1 125 PHE HZ 1 156 VAL QG 0.000 . 3.800 2.517 2.215 2.805 . 0 0 "[ . 1 . 2]" 1
1481 1 125 PHE QD 1 156 VAL QG 0.000 . 4.800 4.347 3.105 4.517 . 0 0 "[ . 1 . 2]" 1
1482 1 125 PHE HZ 1 156 VAL HA 0.000 . 5.600 3.875 3.476 4.636 . 0 0 "[ . 1 . 2]" 1
1483 1 125 PHE QE 1 156 VAL QG 0.000 . 3.800 3.019 1.751 3.278 . 0 0 "[ . 1 . 2]" 1
1484 1 125 PHE HZ 1 156 VAL HB 0.000 . 5.200 2.310 1.875 5.208 0.008 4 0 "[ . 1 . 2]" 1
1485 1 125 PHE QE 1 156 VAL HB 0.000 . 5.200 3.097 2.869 4.250 . 0 0 "[ . 1 . 2]" 1
1486 1 125 PHE QE 1 156 VAL HA 0.000 . 5.200 3.812 3.436 4.233 . 0 0 "[ . 1 . 2]" 1
1487 1 125 PHE QE 1 157 GLY HA3 0.000 . 4.800 2.731 2.136 3.313 . 0 0 "[ . 1 . 2]" 1
1488 1 125 PHE HZ 1 157 GLY HA3 0.000 . 5.200 4.007 3.140 4.363 . 0 0 "[ . 1 . 2]" 1
1489 1 125 PHE QE 1 157 GLY HA2 0.000 . 4.800 1.947 1.871 2.068 . 0 0 "[ . 1 . 2]" 1
1490 1 125 PHE HZ 1 157 GLY HA2 0.000 . 5.200 3.802 2.554 4.150 . 0 0 "[ . 1 . 2]" 1
1491 1 125 PHE QD 1 157 GLY HA3 0.000 . 5.200 4.431 3.750 5.030 . 0 0 "[ . 1 . 2]" 1
1492 1 125 PHE HZ 1 158 SER H 0.000 . 5.400 5.747 5.489 5.869 0.469 16 0 "[ . 1 . 2]" 1
1493 1 126 ILE HA 1 126 ILE MG 0.000 . 3.600 2.109 2.085 2.133 . 0 0 "[ . 1 . 2]" 1
1494 1 126 ILE HG13 1 126 ILE MG 0.000 . 3.600 2.401 2.374 2.431 . 0 0 "[ . 1 . 2]" 1
1495 1 126 ILE H 1 126 ILE HG12 0.000 . 5.400 2.235 2.023 2.360 . 0 0 "[ . 1 . 2]" 1
1496 1 126 ILE H 1 126 ILE HG13 0.000 . 5.600 3.641 3.464 3.747 . 0 0 "[ . 1 . 2]" 1
1497 1 126 ILE H 1 126 ILE MD 0.000 . 5.000 2.941 2.751 3.141 . 0 0 "[ . 1 . 2]" 1
1498 1 126 ILE HA 1 127 PRO HD3 0.000 . 5.000 2.278 1.964 2.554 . 0 0 "[ . 1 . 2]" 1
1499 1 126 ILE HB 1 127 PRO HD3 0.000 . 5.400 4.442 3.792 4.723 . 0 0 "[ . 1 . 2]" 1
1500 1 126 ILE MG 1 127 PRO HD3 0.000 . 5.400 3.202 2.546 3.536 . 0 0 "[ . 1 . 2]" 1
1501 1 126 ILE MG 1 127 PRO HD2 0.000 . 5.000 2.263 1.937 2.598 . 0 0 "[ . 1 . 2]" 1
1502 1 126 ILE HB 1 127 PRO HD2 0.000 . 5.000 3.796 3.405 4.095 . 0 0 "[ . 1 . 2]" 1
1503 1 126 ILE HA 1 127 PRO HD2 0.000 . 5.000 2.376 2.073 2.910 . 0 0 "[ . 1 . 2]" 1
1504 1 126 ILE MG 1 127 PRO HG2 0.000 . 5.000 3.897 3.274 4.526 . 0 0 "[ . 1 . 2]" 1
1505 1 126 ILE MG 1 127 PRO HG3 0.000 . 5.400 4.467 3.981 4.926 . 0 0 "[ . 1 . 2]" 1
1506 1 126 ILE HA 1 127 PRO HG3 0.000 . 5.400 4.306 3.963 4.488 . 0 0 "[ . 1 . 2]" 1
1507 1 126 ILE H 1 134 CYS HA 0.000 . 6.000 3.851 3.538 4.094 . 0 0 "[ . 1 . 2]" 1
1508 1 126 ILE MD 1 135 GLN H 0.000 . 5.000 5.193 5.122 5.276 0.276 12 0 "[ . 1 . 2]" 1
1509 1 126 ILE H 1 135 GLN HG2 0.000 . 6.000 5.556 4.850 6.166 0.166 3 0 "[ . 1 . 2]" 1
1510 1 126 ILE H 1 135 GLN H 0.000 . 5.000 2.651 2.459 2.827 . 0 0 "[ . 1 . 2]" 1
1511 1 126 ILE H 1 135 GLN HA 0.000 . 6.000 4.594 4.469 4.752 . 0 0 "[ . 1 . 2]" 1
1512 1 126 ILE HB 1 135 GLN H 0.000 . 5.600 4.426 4.235 4.711 . 0 0 "[ . 1 . 2]" 1
1513 1 126 ILE H 1 135 GLN QB 0.000 . 6.000 3.771 3.661 4.013 . 0 0 "[ . 1 . 2]" 1
1514 1 126 ILE H 1 136 ASP HA 0.000 . 6.000 4.014 3.848 4.174 . 0 0 "[ . 1 . 2]" 1
1515 1 126 ILE H 1 137 VAL H 0.000 . 6.000 4.954 4.791 5.188 . 0 0 "[ . 1 . 2]" 1
1516 1 126 ILE H 1 137 VAL MG2 0.000 . 6.000 4.768 4.583 4.983 . 0 0 "[ . 1 . 2]" 1
1517 1 126 ILE HB 1 137 VAL MG1 0.000 . 4.200 4.041 3.813 4.202 0.002 11 0 "[ . 1 . 2]" 1
1518 1 127 PRO HB2 1 128 ASN H 0.000 . 5.000 3.891 3.666 4.091 . 0 0 "[ . 1 . 2]" 1
1519 1 127 PRO HB2 1 132 GLY HA2 0.000 . 5.400 3.775 3.245 4.098 . 0 0 "[ . 1 . 2]" 1
1520 1 127 PRO HB3 1 132 GLY HA2 0.000 . 5.400 3.996 3.424 4.392 . 0 0 "[ . 1 . 2]" 1
1521 1 127 PRO HB2 1 132 GLY HA3 0.000 . 5.400 5.053 4.482 5.409 0.009 5 0 "[ . 1 . 2]" 1
1522 1 127 PRO HB3 1 132 GLY HA3 0.000 . 5.400 4.981 4.369 5.424 0.024 20 0 "[ . 1 . 2]" 1
1523 1 128 ASN H 1 128 ASN HB2 0.000 . 3.600 2.272 2.112 2.411 . 0 0 "[ . 1 . 2]" 1
1524 1 128 ASN H 1 128 ASN HD21 0.000 . 5.400 4.656 3.772 5.412 0.012 17 0 "[ . 1 . 2]" 1
1525 1 128 ASN H 1 128 ASN HD22 0.000 . 5.400 3.788 2.662 4.567 . 0 0 "[ . 1 . 2]" 1
1526 1 128 ASN H 1 129 ILE H 0.000 . 4.200 4.397 4.351 4.439 0.239 7 0 "[ . 1 . 2]" 1
1527 1 128 ASN HB2 1 129 ILE H 0.000 . 4.200 4.131 4.001 4.238 0.038 9 0 "[ . 1 . 2]" 1
1528 1 128 ASN HB3 1 129 ILE H 0.000 . 3.800 3.536 3.019 3.895 0.095 11 0 "[ . 1 . 2]" 1
1529 1 128 ASN HA 1 130 ARG H 0.000 . 4.200 3.687 3.494 3.890 . 0 0 "[ . 1 . 2]" 1
1530 1 128 ASN H 1 130 ARG H 0.000 . 5.400 5.067 4.847 5.297 . 0 0 "[ . 1 . 2]" 1
1531 1 128 ASN HD22 1 130 ARG H 0.000 . 5.400 4.686 4.473 5.505 0.105 20 0 "[ . 1 . 2]" 1
1532 1 128 ASN HB2 1 130 ARG H 0.000 . 5.400 3.912 3.297 4.470 . 0 0 "[ . 1 . 2]" 1
1533 1 128 ASN HB3 1 130 ARG H 0.000 . 5.400 2.872 2.227 3.558 . 0 0 "[ . 1 . 2]" 1
1534 1 128 ASN H 1 131 THR H 0.000 . 5.400 5.114 4.845 5.374 . 0 0 "[ . 1 . 2]" 1
1535 1 128 ASN HD22 1 131 THR MG 0.000 . 5.400 4.689 3.264 5.449 0.049 10 0 "[ . 1 . 2]" 1
1536 1 128 ASN HD22 1 131 THR H 0.000 . 5.400 4.899 3.958 5.465 0.065 6 0 "[ . 1 . 2]" 1
1537 1 128 ASN HD21 1 131 THR MG 0.000 . 5.400 4.581 3.400 5.405 0.005 10 0 "[ . 1 . 2]" 1
1538 1 128 ASN HB2 1 131 THR H 0.000 . 4.200 3.469 2.612 4.223 0.023 19 0 "[ . 1 . 2]" 1
1539 1 128 ASN HB3 1 131 THR H 0.000 . 5.000 2.606 2.046 2.991 . 0 0 "[ . 1 . 2]" 1
1540 1 128 ASN HA 1 132 GLY H 0.000 . 5.000 4.293 4.156 4.509 . 0 0 "[ . 1 . 2]" 1
1541 1 128 ASN H 1 132 GLY H 0.000 . 5.000 3.668 3.415 3.936 . 0 0 "[ . 1 . 2]" 1
1542 1 128 ASN HB3 1 132 GLY H 0.000 . 3.800 2.550 2.067 3.400 . 0 0 "[ . 1 . 2]" 1
1543 1 128 ASN HB2 1 132 GLY H 0.000 . 3.800 2.919 1.990 3.771 . 0 0 "[ . 1 . 2]" 1
1544 1 128 ASN H 1 133 ALA H 0.000 . 3.800 3.286 3.127 3.430 . 0 0 "[ . 1 . 2]" 1
1545 1 128 ASN HB3 1 133 ALA H 0.000 . 3.800 3.128 2.300 3.889 0.089 5 0 "[ . 1 . 2]" 1
1546 1 128 ASN HB2 1 133 ALA H 0.000 . 3.400 2.853 2.255 3.447 0.047 17 0 "[ . 1 . 2]" 1
1547 1 128 ASN HB2 1 133 ALA MB 0.000 . 4.600 3.425 3.230 3.763 . 0 0 "[ . 1 . 2]" 1
1548 1 128 ASN HA 1 133 ALA H 0.000 . 5.000 4.924 4.825 5.020 0.020 5 0 "[ . 1 . 2]" 1
1549 1 128 ASN HB3 1 133 ALA MB 0.000 . 4.600 3.971 3.285 4.613 0.013 20 0 "[ . 1 . 2]" 1
1550 1 128 ASN HD22 1 133 ALA H 0.000 . 5.400 5.204 3.761 5.502 0.102 2 0 "[ . 1 . 2]" 1
1551 1 129 ILE H 1 129 ILE HG13 0.000 . 3.800 2.415 1.915 2.993 . 0 0 "[ . 1 . 2]" 1
1552 1 129 ILE H 1 129 ILE HG12 0.000 . 3.800 2.580 1.937 3.114 . 0 0 "[ . 1 . 2]" 1
1553 1 129 ILE H 1 129 ILE HB 0.000 . 3.800 2.918 2.487 3.428 . 0 0 "[ . 1 . 2]" 1
1554 1 129 ILE H 1 129 ILE MG 0.000 . 3.800 3.022 2.199 3.645 . 0 0 "[ . 1 . 2]" 1
1555 1 129 ILE HA 1 129 ILE MG 0.000 . 3.200 2.309 2.270 2.338 . 0 0 "[ . 1 . 2]" 1
1556 1 129 ILE HA 1 130 ARG H 0.000 . 3.800 3.223 3.057 3.328 . 0 0 "[ . 1 . 2]" 1
1557 1 129 ILE HG12 1 130 ARG H 0.000 . 5.000 4.377 3.356 5.049 0.049 8 0 "[ . 1 . 2]" 1
1558 1 129 ILE HG13 1 130 ARG H 0.000 . 4.200 3.881 3.083 4.356 0.156 8 0 "[ . 1 . 2]" 1
1559 1 129 ILE H 1 130 ARG H 0.000 . 3.800 2.603 2.481 2.702 . 0 0 "[ . 1 . 2]" 1
1560 1 129 ILE HA 1 131 THR H 0.000 . 5.400 5.086 4.367 5.401 0.001 6 0 "[ . 1 . 2]" 1
1561 1 129 ILE H 1 131 THR H 0.000 . 5.000 4.598 4.429 4.843 . 0 0 "[ . 1 . 2]" 1
1562 1 129 ILE HA 1 132 GLY H 0.000 . 5.000 4.647 4.125 4.883 . 0 0 "[ . 1 . 2]" 1
1563 1 130 ARG H 1 130 ARG QB 0.000 . 3.800 2.405 2.341 2.481 . 0 0 "[ . 1 . 2]" 1
1564 1 130 ARG H 1 130 ARG HG3 0.000 . 3.800 2.666 2.476 2.839 . 0 0 "[ . 1 . 2]" 1
1565 1 130 ARG H 1 130 ARG HG2 0.000 . 3.800 3.620 3.530 3.702 . 0 0 "[ . 1 . 2]" 1
1566 1 130 ARG QB 1 131 THR H 0.000 . 3.800 2.237 2.078 2.628 . 0 0 "[ . 1 . 2]" 1
1567 1 130 ARG HG3 1 131 THR H 0.000 . 5.000 4.146 4.042 4.274 . 0 0 "[ . 1 . 2]" 1
1568 1 130 ARG H 1 131 THR H 0.000 . 3.800 2.347 2.070 2.503 . 0 0 "[ . 1 . 2]" 1
1569 1 130 ARG H 1 131 THR MG 0.000 . 3.800 3.950 3.892 3.989 0.189 20 0 "[ . 1 . 2]" 1
1570 1 130 ARG H 1 132 GLY H 0.000 . 3.800 3.365 3.246 3.504 . 0 0 "[ . 1 . 2]" 1
1571 1 130 ARG QB 1 132 GLY H 0.000 . 4.200 4.316 4.229 4.455 0.255 5 0 "[ . 1 . 2]" 1
1572 1 130 ARG H 1 132 GLY HA2 0.000 . 5.600 4.788 4.706 4.853 . 0 0 "[ . 1 . 2]" 1
1573 1 130 ARG H 1 132 GLY HA3 0.000 . 5.600 5.662 5.586 5.729 0.129 16 0 "[ . 1 . 2]" 1
1574 1 130 ARG QB 1 133 ALA H 0.000 . 5.400 5.639 5.580 5.752 0.352 3 0 "[ . 1 . 2]" 1
1575 1 130 ARG H 1 133 ALA H 0.000 . 5.400 5.204 4.927 5.356 . 0 0 "[ . 1 . 2]" 1
1576 1 131 THR H 1 131 THR MG 0.000 . 3.800 2.155 1.969 2.572 . 0 0 "[ . 1 . 2]" 1
1577 1 131 THR H 1 132 GLY H 0.000 . 3.800 2.357 2.042 2.477 . 0 0 "[ . 1 . 2]" 1
1578 1 131 THR H 1 132 GLY HA3 0.000 . 5.400 4.776 4.512 4.873 . 0 0 "[ . 1 . 2]" 1
1579 1 131 THR H 1 132 GLY HA2 0.000 . 5.000 4.458 4.140 4.576 . 0 0 "[ . 1 . 2]" 1
1580 1 131 THR HA 1 132 GLY H 0.000 . 3.800 3.425 3.402 3.444 . 0 0 "[ . 1 . 2]" 1
1581 1 131 THR MG 1 132 GLY H 0.000 . 3.800 3.720 3.652 3.824 0.024 5 0 "[ . 1 . 2]" 1
1582 1 131 THR H 1 133 ALA MB 0.000 . 5.000 4.709 4.594 4.804 . 0 0 "[ . 1 . 2]" 1
1583 1 131 THR H 1 133 ALA H 0.000 . 3.800 3.821 3.517 3.957 0.157 6 0 "[ . 1 . 2]" 1
1584 1 131 THR MG 1 133 ALA H 0.000 . 3.800 3.966 3.918 4.024 0.224 3 0 "[ . 1 . 2]" 1
1585 1 132 GLY H 1 132 GLY HA2 0.000 . 3.000 2.214 2.181 2.243 . 0 0 "[ . 1 . 2]" 1
1586 1 132 GLY H 1 132 GLY HA3 0.000 . 3.000 2.701 2.683 2.717 . 0 0 "[ . 1 . 2]" 1
1587 1 132 GLY HA3 1 133 ALA MB 0.000 . 5.000 4.560 4.456 4.643 . 0 0 "[ . 1 . 2]" 1
1588 1 132 GLY H 1 133 ALA MB 0.000 . 3.800 3.913 3.857 3.981 0.181 7 0 "[ . 1 . 2]" 1
1589 1 132 GLY HA3 1 133 ALA H 0.000 . 4.000 3.258 3.203 3.299 . 0 0 "[ . 1 . 2]" 1
1590 1 132 GLY HA2 1 133 ALA H 0.000 . 3.800 3.137 3.089 3.175 . 0 0 "[ . 1 . 2]" 1
1591 1 132 GLY HA2 1 133 ALA MB 0.000 . 5.400 4.721 4.688 4.741 . 0 0 "[ . 1 . 2]" 1
1592 1 132 GLY H 1 133 ALA H 0.000 . 3.000 2.190 2.104 2.325 . 0 0 "[ . 1 . 2]" 1
1593 1 133 ALA H 1 133 ALA MB 0.000 . 2.800 2.188 2.151 2.241 . 0 0 "[ . 1 . 2]" 1
1594 1 133 ALA HA 1 134 CYS HB2 0.000 . 5.400 4.552 4.255 4.775 . 0 0 "[ . 1 . 2]" 1
1595 1 133 ALA H 1 134 CYS H 0.000 . 3.800 4.238 4.141 4.361 0.561 19 4 "[ . * * - . +2]" 1
1596 1 133 ALA MB 1 134 CYS H 0.000 . 3.000 3.050 2.861 3.151 0.151 14 0 "[ . 1 . 2]" 1
1597 1 133 ALA HA 1 134 CYS HB3 0.000 . 5.400 5.411 5.379 5.459 0.059 19 0 "[ . 1 . 2]" 1
1598 1 133 ALA HA 1 134 CYS H 0.000 . 3.000 2.125 2.094 2.165 . 0 0 "[ . 1 . 2]" 1
1599 1 133 ALA MB 1 135 GLN H 0.000 . 5.400 4.852 4.568 5.038 . 0 0 "[ . 1 . 2]" 1
1600 1 134 CYS H 1 134 CYS HB2 0.000 . 3.000 2.530 2.318 2.710 . 0 0 "[ . 1 . 2]" 1
1601 1 134 CYS H 1 134 CYS HB3 0.000 . 3.400 3.306 3.282 3.322 . 0 0 "[ . 1 . 2]" 1
1602 1 134 CYS H 1 135 GLN H 0.000 . 5.200 4.348 4.260 4.394 . 0 0 "[ . 1 . 2]" 1
1603 1 134 CYS HA 1 135 GLN H 0.000 . 3.400 2.240 2.219 2.286 . 0 0 "[ . 1 . 2]" 1
1604 1 134 CYS HB2 1 135 GLN H 0.000 . 5.400 4.141 3.999 4.372 . 0 0 "[ . 1 . 2]" 1
1605 1 135 GLN HE22 1 135 GLN HG3 0.000 . 3.600 3.603 3.343 3.632 0.032 18 0 "[ . 1 . 2]" 1
1606 1 135 GLN H 1 135 GLN HG3 0.000 . 5.400 3.866 2.988 4.560 . 0 0 "[ . 1 . 2]" 1
1607 1 135 GLN H 1 135 GLN HG2 0.000 . 5.000 3.566 2.843 4.669 . 0 0 "[ . 1 . 2]" 1
1608 1 135 GLN HB2 1 135 GLN HE22 0.000 . 5.600 4.849 4.420 5.175 . 0 0 "[ . 1 . 2]" 1
1609 1 135 GLN H 1 135 GLN HB3 0.000 . 4.200 3.251 2.446 3.559 . 0 0 "[ . 1 . 2]" 1
1610 1 135 GLN HE22 1 135 GLN HG2 0.000 . 3.600 3.357 3.328 3.608 0.008 14 0 "[ . 1 . 2]" 1
1611 1 135 GLN HA 1 136 ASP HA 0.000 . 5.400 4.224 4.153 4.292 . 0 0 "[ . 1 . 2]" 1
1612 1 135 GLN HA 1 136 ASP H 0.000 . 3.200 2.303 2.264 2.352 . 0 0 "[ . 1 . 2]" 1
1613 1 135 GLN HB3 1 136 ASP H 0.000 . 3.800 3.343 2.971 4.117 0.317 20 0 "[ . 1 . 2]" 1
1614 1 135 GLN H 1 136 ASP H 0.000 . 5.600 4.279 4.218 4.324 . 0 0 "[ . 1 . 2]" 1
1615 1 135 GLN HB2 1 136 ASP HA 0.000 . 5.400 5.289 5.015 5.823 0.423 20 0 "[ . 1 . 2]" 1
1616 1 136 ASP H 1 136 ASP HB3 0.000 . 3.600 2.328 2.232 2.389 . 0 0 "[ . 1 . 2]" 1
1617 1 136 ASP H 1 136 ASP HB2 0.000 . 3.800 2.667 2.609 2.752 . 0 0 "[ . 1 . 2]" 1
1618 1 136 ASP HB2 1 137 VAL H 0.000 . 5.400 3.869 3.747 3.941 . 0 0 "[ . 1 . 2]" 1
1619 1 136 ASP H 1 137 VAL H 0.000 . 5.400 4.438 4.404 4.460 . 0 0 "[ . 1 . 2]" 1
1620 1 136 ASP HB3 1 137 VAL H 0.000 . 5.400 3.900 3.834 3.964 . 0 0 "[ . 1 . 2]" 1
1621 1 136 ASP HA 1 137 VAL H 0.000 . 3.600 2.305 2.243 2.362 . 0 0 "[ . 1 . 2]" 1
1622 1 136 ASP HA 1 137 VAL HB 0.000 . 5.400 5.517 5.446 5.577 0.177 13 0 "[ . 1 . 2]" 1
1623 1 136 ASP HA 1 137 VAL MG1 0.000 . 4.600 3.763 3.608 3.916 . 0 0 "[ . 1 . 2]" 1
1624 1 136 ASP HA 1 156 VAL HA 0.000 . 5.400 4.396 4.188 4.588 . 0 0 "[ . 1 . 2]" 1
1625 1 136 ASP HB2 1 156 VAL QG 0.000 . 5.400 2.755 1.938 2.993 . 0 0 "[ . 1 . 2]" 1
1626 1 136 ASP HB3 1 156 VAL QG 0.000 . 5.400 2.167 1.802 2.411 . 0 0 "[ . 1 . 2]" 1
1627 1 136 ASP HB3 1 156 VAL HA 0.000 . 5.400 2.551 2.280 2.716 . 0 0 "[ . 1 . 2]" 1
1628 1 136 ASP HA 1 156 VAL QG 0.000 . 5.400 4.362 3.738 4.510 . 0 0 "[ . 1 . 2]" 1
1629 1 136 ASP HB2 1 156 VAL HA 0.000 . 5.400 2.407 2.114 2.588 . 0 0 "[ . 1 . 2]" 1
1630 1 137 VAL H 1 137 VAL MG2 0.000 . 4.600 1.848 1.769 1.900 . 0 0 "[ . 1 . 2]" 1
1631 1 137 VAL MG1 1 137 VAL MG2 0.000 . 2.800 2.023 2.010 2.032 . 0 0 "[ . 1 . 2]" 1
1632 1 137 VAL H 1 137 VAL MG1 0.000 . 3.600 2.689 2.586 2.743 . 0 0 "[ . 1 . 2]" 1
1633 1 137 VAL HA 1 137 VAL MG1 0.000 . 3.400 2.218 2.196 2.244 . 0 0 "[ . 1 . 2]" 1
1634 1 137 VAL HA 1 137 VAL MG2 0.000 . 3.400 3.057 3.046 3.075 . 0 0 "[ . 1 . 2]" 1
1635 1 137 VAL HA 1 138 ASP HA 0.000 . 5.400 4.314 4.298 4.331 . 0 0 "[ . 1 . 2]" 1
1636 1 137 VAL MG2 1 138 ASP H 0.000 . 3.800 3.906 3.859 3.966 0.166 12 0 "[ . 1 . 2]" 1
1637 1 137 VAL HB 1 138 ASP H 0.000 . 5.400 2.980 2.830 3.077 . 0 0 "[ . 1 . 2]" 1
1638 1 137 VAL H 1 138 ASP H 0.000 . 5.600 4.342 4.317 4.365 . 0 0 "[ . 1 . 2]" 1
1639 1 137 VAL MG1 1 138 ASP H 0.000 . 3.800 3.714 3.615 3.817 0.017 16 0 "[ . 1 . 2]" 1
1640 1 137 VAL HA 1 138 ASP H 0.000 . 3.200 2.298 2.275 2.344 . 0 0 "[ . 1 . 2]" 1
1641 1 137 VAL HB 1 139 GLU H 0.000 . 6.000 3.863 3.750 4.007 . 0 0 "[ . 1 . 2]" 1
1642 1 137 VAL MG1 1 139 GLU HA 0.000 . 4.600 4.692 4.560 4.769 0.169 19 0 "[ . 1 . 2]" 1
1643 1 137 VAL MG2 1 139 GLU H 0.000 . 4.200 2.974 2.848 3.106 . 0 0 "[ . 1 . 2]" 1
1644 1 137 VAL HB 1 139 GLU HB2 0.000 . 5.000 5.435 5.349 5.506 0.506 1 1 "[+ . 1 . 2]" 1
1645 1 137 VAL HB 1 139 GLU HA 0.000 . 5.400 3.488 3.322 3.602 . 0 0 "[ . 1 . 2]" 1
1646 1 137 VAL MG2 1 139 GLU HA 0.000 . 3.600 2.946 2.815 3.076 . 0 0 "[ . 1 . 2]" 1
1647 1 137 VAL MG1 1 139 GLU H 0.000 . 5.600 5.043 4.955 5.152 . 0 0 "[ . 1 . 2]" 1
1648 1 137 VAL H 1 139 GLU HB2 0.000 . 5.600 6.000 5.847 6.075 0.475 8 0 "[ . 1 . 2]" 1
1649 1 137 VAL MG1 1 142 ALA MB 0.000 . 3.400 3.123 2.824 3.324 . 0 0 "[ . 1 . 2]" 1
1650 1 137 VAL MG2 1 142 ALA MB 0.000 . 3.000 3.139 3.004 3.230 0.230 11 0 "[ . 1 . 2]" 1
1651 1 137 VAL MG2 1 146 LEU QD 0.000 . 5.600 4.978 4.771 5.111 . 0 0 "[ . 1 . 2]" 1
1652 1 137 VAL MG2 1 159 PHE QE 0.000 . 5.600 5.455 5.165 5.682 0.082 1 0 "[ . 1 . 2]" 1
1653 1 137 VAL MG2 1 159 PHE QD 0.000 . 5.600 4.675 4.466 4.872 . 0 0 "[ . 1 . 2]" 1
1654 1 138 ASP H 1 138 ASP HB2 0.000 . 3.800 2.355 2.257 2.518 . 0 0 "[ . 1 . 2]" 1
1655 1 138 ASP H 1 138 ASP HB3 0.000 . 3.800 3.237 2.608 3.403 . 0 0 "[ . 1 . 2]" 1
1656 1 138 ASP HB3 1 139 GLU H 0.000 . 5.000 4.173 4.103 4.342 . 0 0 "[ . 1 . 2]" 1
1657 1 138 ASP HB2 1 139 GLU H 0.000 . 5.000 4.465 4.363 4.632 . 0 0 "[ . 1 . 2]" 1
1658 1 138 ASP H 1 139 GLU H 0.000 . 5.400 3.806 3.766 3.836 . 0 0 "[ . 1 . 2]" 1
1659 1 138 ASP HA 1 139 GLU H 0.000 . 3.800 2.449 2.403 2.486 . 0 0 "[ . 1 . 2]" 1
1660 1 138 ASP HA 1 139 GLU HA 0.000 . 5.400 4.498 4.464 4.530 . 0 0 "[ . 1 . 2]" 1
1661 1 138 ASP HB2 1 139 GLU HA 0.000 . 5.400 5.353 5.057 6.001 0.601 1 3 "[+ . *1 - . 2]" 1
1662 1 138 ASP HA 1 140 CYS H 0.000 . 5.000 3.781 3.626 4.026 . 0 0 "[ . 1 . 2]" 1
1663 1 138 ASP HB3 1 141 GLN HB2 0.000 . 5.000 3.059 2.253 3.799 . 0 0 "[ . 1 . 2]" 1
1664 1 138 ASP HB3 1 141 GLN HB3 0.000 . 5.000 4.214 2.554 4.793 . 0 0 "[ . 1 . 2]" 1
1665 1 138 ASP HB2 1 141 GLN HB3 0.000 . 5.400 4.341 3.802 5.060 . 0 0 "[ . 1 . 2]" 1
1666 1 138 ASP HB3 1 141 GLN HG2 0.000 . 5.000 2.544 1.977 2.978 . 0 0 "[ . 1 . 2]" 1
1667 1 138 ASP HB3 1 141 GLN H 0.000 . 5.000 3.144 2.888 3.509 . 0 0 "[ . 1 . 2]" 1
1668 1 138 ASP HB2 1 141 GLN HB2 0.000 . 5.400 3.083 2.516 5.058 . 0 0 "[ . 1 . 2]" 1
1669 1 138 ASP HB2 1 141 GLN H 0.000 . 5.400 3.799 3.463 4.497 . 0 0 "[ . 1 . 2]" 1
1670 1 138 ASP H 1 142 ALA MB 0.000 . 5.000 3.546 3.218 4.092 . 0 0 "[ . 1 . 2]" 1
1671 1 139 GLU HB2 1 140 CYS H 0.000 . 5.400 2.721 2.576 2.818 . 0 0 "[ . 1 . 2]" 1
1672 1 139 GLU HB3 1 140 CYS H 0.000 . 5.200 3.490 3.296 3.574 . 0 0 "[ . 1 . 2]" 1
1673 1 139 GLU H 1 140 CYS H 0.000 . 5.000 2.792 2.728 2.897 . 0 0 "[ . 1 . 2]" 1
1674 1 139 GLU HA 1 140 CYS H 0.000 . 4.000 3.424 3.391 3.478 . 0 0 "[ . 1 . 2]" 1
1675 1 139 GLU HA 1 140 CYS HA 0.000 . 5.400 4.781 4.736 4.874 . 0 0 "[ . 1 . 2]" 1
1676 1 139 GLU H 1 141 GLN H 0.000 . 5.600 4.255 4.149 4.401 . 0 0 "[ . 1 . 2]" 1
1677 1 139 GLU HA 1 142 ALA H 0.000 . 5.400 3.232 2.915 3.529 . 0 0 "[ . 1 . 2]" 1
1678 1 139 GLU HA 1 142 ALA MB 0.000 . 3.600 2.326 2.137 2.586 . 0 0 "[ . 1 . 2]" 1
1679 1 139 GLU H 1 142 ALA H 0.000 . 5.800 4.500 4.407 4.627 . 0 0 "[ . 1 . 2]" 1
1680 1 139 GLU HA 1 143 ILE H 0.000 . 5.400 3.468 3.133 3.953 . 0 0 "[ . 1 . 2]" 1
1681 1 139 GLU HG2 1 146 LEU QD 0.000 . 5.400 3.944 3.592 4.217 . 0 0 "[ . 1 . 2]" 1
1682 1 139 GLU H 1 146 LEU QD 0.000 . 6.000 4.766 4.162 5.132 . 0 0 "[ . 1 . 2]" 1
1683 1 139 GLU HB2 1 146 LEU QD 0.000 . 5.600 3.371 2.672 3.793 . 0 0 "[ . 1 . 2]" 1
1684 1 139 GLU HA 1 146 LEU QD 0.000 . 5.000 3.839 3.447 4.135 . 0 0 "[ . 1 . 2]" 1
1685 1 139 GLU HB3 1 146 LEU QD 0.000 . 5.200 2.684 2.069 2.988 . 0 0 "[ . 1 . 2]" 1
1686 1 139 GLU H 1 155 THR H 0.000 . 6.000 6.181 6.063 6.290 0.290 6 0 "[ . 1 . 2]" 1
1687 1 139 GLU HG2 1 159 PHE QD 0.000 . 5.200 2.485 2.255 2.807 . 0 0 "[ . 1 . 2]" 1
1688 1 139 GLU HB3 1 159 PHE HZ 0.000 . 5.200 4.773 4.397 5.023 . 0 0 "[ . 1 . 2]" 1
1689 1 139 GLU HB3 1 159 PHE QE 0.000 . 5.200 3.181 3.057 3.325 . 0 0 "[ . 1 . 2]" 1
1690 1 139 GLU HG2 1 159 PHE QE 0.000 . 5.400 3.087 2.781 3.362 . 0 0 "[ . 1 . 2]" 1
1691 1 139 GLU H 1 159 PHE QE 0.000 . 5.600 5.779 5.681 5.902 0.302 19 0 "[ . 1 . 2]" 1
1692 1 139 GLU HB2 1 159 PHE QD 0.000 . 4.800 2.220 1.995 2.431 . 0 0 "[ . 1 . 2]" 1
1693 1 139 GLU H 1 159 PHE QD 0.000 . 5.400 4.161 4.057 4.283 . 0 0 "[ . 1 . 2]" 1
1694 1 139 GLU HB3 1 159 PHE QD 0.000 . 5.200 2.671 2.439 3.035 . 0 0 "[ . 1 . 2]" 1
1695 1 139 GLU HG2 1 159 PHE HZ 0.000 . 5.600 5.311 4.946 5.629 0.029 4 0 "[ . 1 . 2]" 1
1696 1 140 CYS H 1 140 CYS HB2 0.000 . 3.600 2.512 2.285 2.672 . 0 0 "[ . 1 . 2]" 1
1697 1 140 CYS H 1 141 GLN HB2 0.000 . 5.600 5.223 5.073 6.109 0.509 1 1 "[+ . 1 . 2]" 1
1698 1 140 CYS HB3 1 141 GLN H 0.000 . 5.400 3.590 2.813 3.954 . 0 0 "[ . 1 . 2]" 1
1699 1 140 CYS HB2 1 141 GLN HG2 0.000 . 5.000 3.208 2.648 5.194 0.194 1 0 "[ . 1 . 2]" 1
1700 1 140 CYS HA 1 141 GLN H 0.000 . 3.600 3.427 3.386 3.465 . 0 0 "[ . 1 . 2]" 1
1701 1 140 CYS HB2 1 141 GLN H 0.000 . 3.600 2.982 2.631 4.021 0.421 15 0 "[ . 1 . 2]" 1
1702 1 140 CYS H 1 142 ALA H 0.000 . 5.400 4.201 4.032 4.430 . 0 0 "[ . 1 . 2]" 1
1703 1 140 CYS HA 1 153 ILE H 0.000 . 6.000 6.226 6.110 6.327 0.327 6 0 "[ . 1 . 2]" 1
1704 1 141 GLN HA 1 141 GLN HE22 0.000 . 5.600 4.643 4.074 5.626 0.026 1 0 "[ . 1 . 2]" 1
1705 1 141 GLN HE22 1 141 GLN HG2 0.000 . 3.600 3.627 3.350 3.893 0.293 1 0 "[ . 1 . 2]" 1
1706 1 141 GLN H 1 141 GLN HG3 0.000 . 3.800 3.575 3.500 3.657 . 0 0 "[ . 1 . 2]" 1
1707 1 141 GLN HB3 1 141 GLN HE22 0.000 . 5.200 4.369 3.785 4.620 . 0 0 "[ . 1 . 2]" 1
1708 1 141 GLN HB2 1 141 GLN HG3 0.000 . 3.000 2.301 2.254 2.429 . 0 0 "[ . 1 . 2]" 1
1709 1 141 GLN HA 1 141 GLN HG2 0.000 . 4.200 3.153 3.073 3.730 . 0 0 "[ . 1 . 2]" 1
1710 1 141 GLN H 1 141 GLN HG2 0.000 . 4.200 2.366 2.247 2.883 . 0 0 "[ . 1 . 2]" 1
1711 1 141 GLN HA 1 141 GLN HE21 0.000 . 5.600 4.695 3.992 4.878 . 0 0 "[ . 1 . 2]" 1
1712 1 141 GLN H 1 141 GLN HB2 0.000 . 3.400 2.515 2.406 3.314 . 0 0 "[ . 1 . 2]" 1
1713 1 141 GLN HA 1 141 GLN HG3 0.000 . 4.200 3.688 3.339 3.753 . 0 0 "[ . 1 . 2]" 1
1714 1 141 GLN H 1 141 GLN HB3 0.000 . 3.400 3.355 2.204 3.443 0.043 20 0 "[ . 1 . 2]" 1
1715 1 141 GLN HB3 1 142 ALA MB 0.000 . 4.600 4.654 4.541 4.745 0.145 17 0 "[ . 1 . 2]" 1
1716 1 141 GLN HA 1 142 ALA H 0.000 . 5.400 3.392 3.361 3.429 . 0 0 "[ . 1 . 2]" 1
1717 1 141 GLN HB2 1 142 ALA MB 0.000 . 4.600 3.736 3.608 4.893 0.293 1 0 "[ . 1 . 2]" 1
1718 1 141 GLN HB3 1 142 ALA H 0.000 . 5.400 3.648 3.459 3.903 . 0 0 "[ . 1 . 2]" 1
1719 1 141 GLN H 1 142 ALA MB 0.000 . 3.600 3.747 3.706 3.826 0.226 1 0 "[ . 1 . 2]" 1
1720 1 141 GLN HB2 1 142 ALA H 0.000 . 5.000 2.662 2.298 4.101 . 0 0 "[ . 1 . 2]" 1
1721 1 141 GLN HA 1 142 ALA MB 0.000 . 5.400 4.847 4.789 4.891 . 0 0 "[ . 1 . 2]" 1
1722 1 141 GLN HG2 1 142 ALA MB 0.000 . 5.000 5.060 2.803 5.271 0.271 19 0 "[ . 1 . 2]" 1
1723 1 141 GLN H 1 142 ALA H 0.000 . 3.200 2.164 2.087 2.254 . 0 0 "[ . 1 . 2]" 1
1724 1 141 GLN H 1 143 ILE H 0.000 . 5.200 3.650 3.442 3.984 . 0 0 "[ . 1 . 2]" 1
1725 1 142 ALA H 1 142 ALA MB 0.000 . 3.000 2.118 2.089 2.189 . 0 0 "[ . 1 . 2]" 1
1726 1 142 ALA MB 1 143 ILE MD 0.000 . 3.400 2.407 2.092 3.572 0.172 6 0 "[ . 1 . 2]" 1
1727 1 142 ALA MB 1 143 ILE H 0.000 . 4.200 2.952 2.807 3.346 . 0 0 "[ . 1 . 2]" 1
1728 1 142 ALA H 1 143 ILE H 0.000 . 5.600 2.582 2.368 2.729 . 0 0 "[ . 1 . 2]" 1
1729 1 142 ALA HA 1 143 ILE H 0.000 . 5.400 3.355 3.258 3.410 . 0 0 "[ . 1 . 2]" 1
1730 1 143 ILE HG13 1 143 ILE MG 0.000 . 3.600 2.613 2.439 3.074 . 0 0 "[ . 1 . 2]" 1
1731 1 143 ILE HG12 1 143 ILE MG 0.000 . 3.400 2.190 2.140 2.327 . 0 0 "[ . 1 . 2]" 1
1732 1 143 ILE HA 1 143 ILE MG 0.000 . 3.600 2.380 2.286 2.512 . 0 0 "[ . 1 . 2]" 1
1733 1 143 ILE H 1 143 ILE MD 0.000 . 5.600 2.737 2.359 4.014 . 0 0 "[ . 1 . 2]" 1
1734 1 143 ILE MG 1 144 PRO HB3 0.000 . 5.600 5.508 4.571 5.789 0.189 7 0 "[ . 1 . 2]" 1
1735 1 143 ILE MG 1 144 PRO HA 0.000 . 5.600 4.596 4.193 5.067 . 0 0 "[ . 1 . 2]" 1
1736 1 143 ILE MG 1 144 PRO HB2 0.000 . 5.600 4.901 3.942 5.644 0.044 2 0 "[ . 1 . 2]" 1
1737 1 143 ILE MG 1 145 GLY H 0.000 . 5.400 4.073 2.193 5.076 . 0 0 "[ . 1 . 2]" 1
1738 1 143 ILE MG 1 146 LEU QD 0.000 . 3.400 2.010 1.762 2.394 . 0 0 "[ . 1 . 2]" 1
1739 1 143 ILE HG13 1 146 LEU QD 0.000 . 5.600 3.819 3.401 4.109 . 0 0 "[ . 1 . 2]" 1
1740 1 143 ILE MG 1 146 LEU H 0.000 . 5.000 3.020 2.442 3.781 . 0 0 "[ . 1 . 2]" 1
1741 1 143 ILE HB 1 146 LEU QD 0.000 . 4.600 2.103 1.785 2.337 . 0 0 "[ . 1 . 2]" 1
1742 1 143 ILE MD 1 146 LEU QD 0.000 . 3.400 2.723 2.074 3.117 . 0 0 "[ . 1 . 2]" 1
1743 1 143 ILE HG12 1 146 LEU QD 0.000 . 5.200 3.023 2.280 3.857 . 0 0 "[ . 1 . 2]" 1
1744 1 143 ILE HA 1 146 LEU QD 0.000 . 6.000 4.122 3.704 4.417 . 0 0 "[ . 1 . 2]" 1
1745 1 143 ILE MG 1 146 LEU HB3 0.000 . 5.400 2.428 1.635 5.201 . 0 0 "[ . 1 . 2]" 1
1746 1 143 ILE MD 1 146 LEU H 0.000 . 6.000 5.628 5.226 5.955 . 0 0 "[ . 1 . 2]" 1
1747 1 143 ILE MG 1 146 LEU HG 0.000 . 3.600 3.748 2.716 3.923 0.323 7 0 "[ . 1 . 2]" 1
1748 1 143 ILE HB 1 146 LEU HB3 0.000 . 5.400 3.255 2.459 5.231 . 0 0 "[ . 1 . 2]" 1
1749 1 144 PRO HB2 1 144 PRO HG3 0.000 . 2.800 2.672 2.506 2.814 0.014 9 0 "[ . 1 . 2]" 1
1750 1 144 PRO HB3 1 145 GLY H 0.000 . 4.200 3.716 2.838 4.482 0.282 19 0 "[ . 1 . 2]" 1
1751 1 144 PRO HA 1 145 GLY H 0.000 . 5.400 2.720 2.060 3.478 . 0 0 "[ . 1 . 2]" 1
1752 1 144 PRO HB2 1 145 GLY H 0.000 . 3.800 3.150 1.774 4.201 0.401 8 0 "[ . 1 . 2]" 1
1753 1 144 PRO HG3 1 145 GLY H 0.000 . 5.000 4.926 3.762 5.639 0.639 10 6 "[ * - + * . * *]" 1
1754 1 144 PRO HG2 1 145 GLY H 0.000 . 5.400 4.574 2.483 5.655 0.255 8 0 "[ . 1 . 2]" 1
1755 1 145 GLY HA2 1 146 LEU H 0.000 . 5.600 2.952 2.561 3.388 . 0 0 "[ . 1 . 2]" 1
1756 1 145 GLY H 1 146 LEU H 0.000 . 4.600 2.737 2.004 3.267 . 0 0 "[ . 1 . 2]" 1
1757 1 145 GLY H 1 146 LEU HB3 0.000 . 5.400 4.813 3.467 6.191 0.791 6 1 "[ .+ 1 . 2]" 1
1758 1 145 GLY HA3 1 146 LEU H 0.000 . 5.800 3.399 3.091 3.495 . 0 0 "[ . 1 . 2]" 1
1759 1 146 LEU HA 1 146 LEU QD 0.000 . 4.200 2.969 1.916 3.339 . 0 0 "[ . 1 . 2]" 1
1760 1 146 LEU H 1 146 LEU HG 0.000 . 5.200 3.776 2.207 4.328 . 0 0 "[ . 1 . 2]" 1
1761 1 146 LEU QD 1 147 CYS H 0.000 . 5.000 2.628 1.782 3.654 . 0 0 "[ . 1 . 2]" 1
1762 1 146 LEU HG 1 147 CYS H 0.000 . 5.400 3.151 2.292 5.060 . 0 0 "[ . 1 . 2]" 1
1763 1 146 LEU HA 1 147 CYS H 0.000 . 5.400 3.092 2.171 3.488 . 0 0 "[ . 1 . 2]" 1
1764 1 146 LEU HB3 1 147 CYS H 0.000 . 5.400 3.539 1.883 4.372 . 0 0 "[ . 1 . 2]" 1
1765 1 146 LEU HB2 1 147 CYS H 0.000 . 5.400 3.917 2.318 4.469 . 0 0 "[ . 1 . 2]" 1
1766 1 146 LEU QD 1 159 PHE QE 0.000 . 5.200 2.564 2.418 2.806 . 0 0 "[ . 1 . 2]" 1
1767 1 146 LEU QD 1 159 PHE HB2 0.000 . 6.000 4.201 3.356 4.743 . 0 0 "[ . 1 . 2]" 1
1768 1 146 LEU QD 1 159 PHE HB3 0.000 . 6.000 4.190 3.389 4.737 . 0 0 "[ . 1 . 2]" 1
1769 1 146 LEU HG 1 159 PHE QE 0.000 . 5.200 3.847 3.422 4.838 . 0 0 "[ . 1 . 2]" 1
1770 1 146 LEU QD 1 159 PHE HZ 0.000 . 5.000 2.475 2.275 2.785 . 0 0 "[ . 1 . 2]" 1
1771 1 146 LEU QD 1 159 PHE QD 0.000 . 5.000 3.193 2.723 3.553 . 0 0 "[ . 1 . 2]" 1
1772 1 146 LEU HG 1 159 PHE QD 0.000 . 5.200 4.997 4.203 5.290 0.090 19 0 "[ . 1 . 2]" 1
1773 1 146 LEU HG 1 159 PHE HZ 0.000 . 5.600 3.769 3.198 5.394 . 0 0 "[ . 1 . 2]" 1
1774 1 146 LEU HA 1 174 GLN HB3 0.000 . 5.400 4.527 2.934 5.453 0.053 20 0 "[ . 1 . 2]" 1
1775 1 146 LEU QD 1 174 GLN HB2 0.000 . 6.000 3.769 2.802 4.644 . 0 0 "[ . 1 . 2]" 1
1776 1 146 LEU QD 1 174 GLN HB3 0.000 . 5.000 3.598 2.746 4.328 . 0 0 "[ . 1 . 2]" 1
1777 1 146 LEU HA 1 174 GLN HB2 0.000 . 5.400 4.100 2.216 4.922 . 0 0 "[ . 1 . 2]" 1
1778 1 146 LEU QD 1 174 GLN HA 0.000 . 6.000 4.905 3.966 5.500 . 0 0 "[ . 1 . 2]" 1
1779 1 150 GLY HA3 1 151 ASN H 0.000 . 3.800 2.390 2.237 2.786 . 0 0 "[ . 1 . 2]" 1
1780 1 150 GLY HA2 1 151 ASN H 0.000 . 4.600 2.998 2.463 3.431 . 0 0 "[ . 1 . 2]" 1
1781 1 151 ASN H 1 151 ASN HB2 0.000 . 4.200 2.580 2.273 2.908 . 0 0 "[ . 1 . 2]" 1
1782 1 151 ASN HB3 1 151 ASN HD22 0.000 . 4.200 2.889 2.228 3.404 . 0 0 "[ . 1 . 2]" 1
1783 1 151 ASN H 1 151 ASN HB3 0.000 . 4.200 2.768 2.423 3.443 . 0 0 "[ . 1 . 2]" 1
1784 1 151 ASN HA 1 151 ASN HD22 0.000 . 5.000 2.766 1.913 4.355 . 0 0 "[ . 1 . 2]" 1
1785 1 151 ASN HB2 1 152 CYS H 0.000 . 5.000 4.079 3.708 4.557 . 0 0 "[ . 1 . 2]" 1
1786 1 151 ASN H 1 152 CYS H 0.000 . 5.000 4.340 4.058 4.459 . 0 0 "[ . 1 . 2]" 1
1787 1 151 ASN HA 1 152 CYS H 0.000 . 3.800 2.366 2.298 2.439 . 0 0 "[ . 1 . 2]" 1
1788 1 151 ASN HB3 1 152 CYS H 0.000 . 5.000 3.574 2.541 4.329 . 0 0 "[ . 1 . 2]" 1
1789 1 151 ASN HB2 1 153 ILE HG12 0.000 . 5.400 5.378 4.812 6.268 0.868 18 1 "[ . 1 . + 2]" 1
1790 1 151 ASN HD21 1 153 ILE MD 0.000 . 4.600 4.018 2.536 4.661 0.061 16 0 "[ . 1 . 2]" 1
1791 1 151 ASN HD22 1 153 ILE MD 0.000 . 4.600 4.051 2.382 4.657 0.057 2 0 "[ . 1 . 2]" 1
1792 1 151 ASN HD21 1 153 ILE HG12 0.000 . 5.600 4.004 2.523 5.625 0.025 7 0 "[ . 1 . 2]" 1
1793 1 151 ASN HB3 1 153 ILE MD 0.000 . 4.600 3.519 3.053 4.003 . 0 0 "[ . 1 . 2]" 1
1794 1 151 ASN HD22 1 153 ILE HG12 0.000 . 5.600 4.208 3.279 5.707 0.107 18 0 "[ . 1 . 2]" 1
1795 1 151 ASN HB2 1 153 ILE MD 0.000 . 4.600 4.360 3.554 4.778 0.178 9 0 "[ . 1 . 2]" 1
1796 1 151 ASN HB3 1 153 ILE HG12 0.000 . 5.400 4.416 3.584 5.201 . 0 0 "[ . 1 . 2]" 1
1797 1 151 ASN HB3 1 162 LYS HB3 0.000 . 5.000 3.709 2.363 4.861 . 0 0 "[ . 1 . 2]" 1
1798 1 151 ASN HB2 1 162 LYS HB3 0.000 . 5.000 4.033 1.882 5.702 0.702 18 3 "[ . * 1 -. + 2]" 1
1799 1 152 CYS HB3 1 153 ILE H 0.000 . 5.400 4.043 3.864 4.305 . 0 0 "[ . 1 . 2]" 1
1800 1 152 CYS HA 1 153 ILE HB 0.000 . 5.400 4.620 4.471 4.746 . 0 0 "[ . 1 . 2]" 1
1801 1 152 CYS HA 1 153 ILE H 0.000 . 3.600 2.282 2.183 2.443 . 0 0 "[ . 1 . 2]" 1
1802 1 152 CYS HB2 1 153 ILE H 0.000 . 5.400 3.826 2.687 4.315 . 0 0 "[ . 1 . 2]" 1
1803 1 152 CYS H 1 153 ILE H 0.000 . 5.400 4.178 3.901 4.381 . 0 0 "[ . 1 . 2]" 1
1804 1 152 CYS HB2 1 159 PHE QD 0.000 . 5.200 4.356 3.684 4.927 . 0 0 "[ . 1 . 2]" 1
1805 1 152 CYS HA 1 159 PHE QD 0.000 . 5.600 4.358 3.779 5.010 . 0 0 "[ . 1 . 2]" 1
1806 1 152 CYS HA 1 160 GLU H 0.000 . 6.000 4.568 4.176 5.059 . 0 0 "[ . 1 . 2]" 1
1807 1 152 CYS HB2 1 160 GLU H 0.000 . 6.000 5.803 4.713 6.469 0.469 12 0 "[ . 1 . 2]" 1
1808 1 152 CYS HA 1 161 CYS HA 0.000 . 5.400 2.523 2.224 2.954 . 0 0 "[ . 1 . 2]" 1
1809 1 153 ILE HG13 1 153 ILE MG 0.000 . 3.000 3.051 2.809 3.070 0.070 10 0 "[ . 1 . 2]" 1
1810 1 153 ILE H 1 153 ILE HG13 0.000 . 5.000 2.731 2.494 3.183 . 0 0 "[ . 1 . 2]" 1
1811 1 153 ILE HG12 1 153 ILE MG 0.000 . 2.800 2.318 2.109 2.364 . 0 0 "[ . 1 . 2]" 1
1812 1 153 ILE H 1 153 ILE HB 0.000 . 4.200 2.751 2.613 2.895 . 0 0 "[ . 1 . 2]" 1
1813 1 153 ILE HA 1 153 ILE MG 0.000 . 2.800 2.275 2.213 2.367 . 0 0 "[ . 1 . 2]" 1
1814 1 153 ILE H 1 153 ILE HG12 0.000 . 4.600 3.706 3.441 4.259 . 0 0 "[ . 1 . 2]" 1
1815 1 153 ILE HA 1 153 ILE MD 0.000 . 4.200 3.795 3.599 3.845 . 0 0 "[ . 1 . 2]" 1
1816 1 153 ILE H 1 153 ILE MD 0.000 . 4.600 3.919 2.930 4.117 . 0 0 "[ . 1 . 2]" 1
1817 1 153 ILE HB 1 153 ILE MD 0.000 . 3.000 2.388 2.199 2.439 . 0 0 "[ . 1 . 2]" 1
1818 1 153 ILE HA 1 154 ASN H 0.000 . 3.200 2.410 2.221 2.654 . 0 0 "[ . 1 . 2]" 1
1819 1 153 ILE HG13 1 154 ASN H 0.000 . 5.000 5.033 4.619 5.142 0.142 10 0 "[ . 1 . 2]" 1
1820 1 153 ILE H 1 154 ASN H 0.000 . 5.800 4.119 3.870 4.301 . 0 0 "[ . 1 . 2]" 1
1821 1 153 ILE HG12 1 154 ASN H 0.000 . 4.600 4.712 4.568 5.099 0.499 18 0 "[ . 1 . 2]" 1
1822 1 153 ILE HB 1 154 ASN H 0.000 . 5.400 3.802 3.289 4.239 . 0 0 "[ . 1 . 2]" 1
1823 1 153 ILE H 1 154 ASN QB 0.000 . 6.000 5.118 4.973 5.334 . 0 0 "[ . 1 . 2]" 1
1824 1 153 ILE H 1 155 THR H 0.000 . 6.000 5.812 5.432 6.133 0.133 15 0 "[ . 1 . 2]" 1
1825 1 153 ILE H 1 155 THR MG 0.000 . 6.000 5.912 4.981 6.209 0.209 7 0 "[ . 1 . 2]" 1
1826 1 153 ILE H 1 159 PHE QD 0.000 . 6.000 4.272 4.153 4.415 . 0 0 "[ . 1 . 2]" 1
1827 1 153 ILE H 1 159 PHE HB2 0.000 . 6.000 3.541 3.308 3.816 . 0 0 "[ . 1 . 2]" 1
1828 1 153 ILE H 1 159 PHE QE 0.000 . 6.000 6.231 6.150 6.343 0.343 14 0 "[ . 1 . 2]" 1
1829 1 153 ILE H 1 159 PHE HB3 0.000 . 6.000 4.946 4.688 5.245 . 0 0 "[ . 1 . 2]" 1
1830 1 153 ILE H 1 160 GLU HG3 0.000 . 5.400 4.854 4.223 5.496 0.096 19 0 "[ . 1 . 2]" 1
1831 1 153 ILE H 1 160 GLU HB3 0.000 . 5.400 4.709 4.132 5.235 . 0 0 "[ . 1 . 2]" 1
1832 1 153 ILE HG12 1 160 GLU HB2 0.000 . 5.400 4.913 4.292 5.409 0.009 4 0 "[ . 1 . 2]" 1
1833 1 153 ILE MD 1 160 GLU H 0.000 . 6.000 4.981 4.490 5.332 . 0 0 "[ . 1 . 2]" 1
1834 1 153 ILE H 1 160 GLU HB2 0.000 . 5.200 3.508 3.247 3.942 . 0 0 "[ . 1 . 2]" 1
1835 1 153 ILE MD 1 160 GLU HB3 0.000 . 5.000 4.088 3.546 4.806 . 0 0 "[ . 1 . 2]" 1
1836 1 153 ILE HG13 1 160 GLU H 0.000 . 6.000 4.832 4.313 5.468 . 0 0 "[ . 1 . 2]" 1
1837 1 153 ILE MG 1 160 GLU H 0.000 . 5.600 4.285 4.103 4.467 . 0 0 "[ . 1 . 2]" 1
1838 1 153 ILE H 1 160 GLU H 0.000 . 5.600 2.763 2.520 3.032 . 0 0 "[ . 1 . 2]" 1
1839 1 153 ILE H 1 160 GLU HG2 0.000 . 5.400 5.313 4.883 5.547 0.147 4 0 "[ . 1 . 2]" 1
1840 1 153 ILE H 1 160 GLU HA 0.000 . 6.000 4.506 4.358 4.734 . 0 0 "[ . 1 . 2]" 1
1841 1 153 ILE MD 1 160 GLU HB2 0.000 . 5.000 3.350 2.527 3.943 . 0 0 "[ . 1 . 2]" 1
1842 1 153 ILE HA 1 160 GLU H 0.000 . 6.000 4.445 4.313 4.549 . 0 0 "[ . 1 . 2]" 1
1843 1 153 ILE HG12 1 160 GLU H 0.000 . 6.000 5.738 5.328 6.035 0.035 18 0 "[ . 1 . 2]" 1
1844 1 153 ILE HB 1 160 GLU H 0.000 . 5.400 3.391 2.922 3.673 . 0 0 "[ . 1 . 2]" 1
1845 1 153 ILE H 1 161 CYS HA 0.000 . 5.600 3.577 3.296 3.845 . 0 0 "[ . 1 . 2]" 1
1846 1 153 ILE H 1 161 CYS HB3 0.000 . 6.000 5.847 5.417 6.142 0.142 3 0 "[ . 1 . 2]" 1
1847 1 153 ILE MD 1 162 LYS QD 0.000 . 3.000 2.684 2.074 3.205 0.205 12 0 "[ . 1 . 2]" 1
1848 1 153 ILE MD 1 162 LYS HE3 0.000 . 4.200 4.287 3.393 5.034 0.834 20 2 "[ . 1- . +]" 1
1849 1 154 ASN H 1 154 ASN QB 0.000 . 3.800 2.343 2.148 2.535 . 0 0 "[ . 1 . 2]" 1
1850 1 154 ASN H 1 154 ASN HD22 0.000 . 5.000 4.427 3.825 4.833 . 0 0 "[ . 1 . 2]" 1
1851 1 154 ASN H 1 155 THR H 0.000 . 5.400 4.205 4.027 4.361 . 0 0 "[ . 1 . 2]" 1
1852 1 154 ASN QB 1 155 THR H 0.000 . 3.800 3.643 3.465 3.791 . 0 0 "[ . 1 . 2]" 1
1853 1 154 ASN HA 1 155 THR H 0.000 . 3.000 2.229 2.158 2.319 . 0 0 "[ . 1 . 2]" 1
1854 1 154 ASN QB 1 156 VAL HA 0.000 . 5.400 5.528 5.405 6.014 0.614 14 1 "[ . 1 +. 2]" 1
1855 1 154 ASN HA 1 159 PHE QD 0.000 . 5.200 4.870 4.605 5.045 . 0 0 "[ . 1 . 2]" 1
1856 1 154 ASN QB 1 160 GLU H 0.000 . 6.000 4.975 4.619 5.289 . 0 0 "[ . 1 . 2]" 1
1857 1 154 ASN HA 1 160 GLU H 0.000 . 5.400 3.207 2.816 3.595 . 0 0 "[ . 1 . 2]" 1
1858 1 155 THR H 1 155 THR MG 0.000 . 3.600 2.048 1.917 2.159 . 0 0 "[ . 1 . 2]" 1
1859 1 155 THR HB 1 156 VAL H 0.000 . 3.400 3.611 3.244 3.724 0.324 20 0 "[ . 1 . 2]" 1
1860 1 155 THR H 1 156 VAL H 0.000 . 5.600 4.352 4.309 4.406 . 0 0 "[ . 1 . 2]" 1
1861 1 155 THR H 1 158 SER H 0.000 . 5.000 4.002 3.864 4.103 . 0 0 "[ . 1 . 2]" 1
1862 1 155 THR MG 1 158 SER H 0.000 . 3.800 3.135 2.816 3.933 0.133 6 0 "[ . 1 . 2]" 1
1863 1 155 THR H 1 158 SER HA 0.000 . 6.000 5.213 5.077 5.297 . 0 0 "[ . 1 . 2]" 1
1864 1 155 THR H 1 159 PHE H 0.000 . 5.400 4.653 4.409 4.774 . 0 0 "[ . 1 . 2]" 1
1865 1 155 THR H 1 159 PHE HA 0.000 . 3.400 2.481 2.148 2.677 . 0 0 "[ . 1 . 2]" 1
1866 1 155 THR MG 1 159 PHE H 0.000 . 5.400 4.334 4.116 4.460 . 0 0 "[ . 1 . 2]" 1
1867 1 155 THR H 1 159 PHE QD 0.000 . 5.600 5.566 5.249 5.752 0.152 2 0 "[ . 1 . 2]" 1
1868 1 155 THR H 1 159 PHE HB2 0.000 . 5.000 4.578 4.222 4.824 . 0 0 "[ . 1 . 2]" 1
1869 1 155 THR H 1 159 PHE HB3 0.000 . 5.200 4.304 3.856 4.581 . 0 0 "[ . 1 . 2]" 1
1870 1 155 THR HA 1 160 GLU H 0.000 . 6.000 6.176 6.025 6.305 0.305 19 0 "[ . 1 . 2]" 1
1871 1 155 THR H 1 160 GLU HG2 0.000 . 6.000 3.865 3.491 4.650 . 0 0 "[ . 1 . 2]" 1
1872 1 155 THR H 1 160 GLU HB2 0.000 . 6.000 5.174 4.780 5.698 . 0 0 "[ . 1 . 2]" 1
1873 1 155 THR MG 1 160 GLU HG3 0.000 . 4.600 2.627 1.926 3.318 . 0 0 "[ . 1 . 2]" 1
1874 1 155 THR H 1 160 GLU H 0.000 . 5.000 3.764 3.648 3.860 . 0 0 "[ . 1 . 2]" 1
1875 1 155 THR MG 1 160 GLU HG2 0.000 . 4.600 2.367 2.076 2.755 . 0 0 "[ . 1 . 2]" 1
1876 1 155 THR H 1 160 GLU HG3 0.000 . 6.000 3.773 2.871 4.836 . 0 0 "[ . 1 . 2]" 1
1877 1 155 THR H 1 160 GLU HA 0.000 . 6.000 5.673 5.427 5.803 . 0 0 "[ . 1 . 2]" 1
1878 1 155 THR HB 1 160 GLU H 0.000 . 6.000 5.733 5.412 6.092 0.092 6 0 "[ . 1 . 2]" 1
1879 1 155 THR MG 1 160 GLU H 0.000 . 5.400 3.781 3.260 4.010 . 0 0 "[ . 1 . 2]" 1
1880 1 155 THR H 1 160 GLU HB3 0.000 . 6.000 5.991 5.572 6.254 0.254 6 0 "[ . 1 . 2]" 1
1881 1 156 VAL H 1 156 VAL HB 0.000 . 3.600 3.373 2.667 3.475 . 0 0 "[ . 1 . 2]" 1
1882 1 156 VAL H 1 156 VAL QG 0.000 . 3.000 1.953 1.837 2.024 . 0 0 "[ . 1 . 2]" 1
1883 1 156 VAL HA 1 157 GLY HA3 0.000 . 5.400 4.307 4.282 4.355 . 0 0 "[ . 1 . 2]" 1
1884 1 156 VAL HA 1 157 GLY H 0.000 . 3.800 2.289 2.240 2.369 . 0 0 "[ . 1 . 2]" 1
1885 1 156 VAL H 1 157 GLY H 0.000 . 5.400 4.390 4.361 4.426 . 0 0 "[ . 1 . 2]" 1
1886 1 156 VAL H 1 158 SER H 0.000 . 5.000 4.495 4.382 4.583 . 0 0 "[ . 1 . 2]" 1
1887 1 156 VAL HA 1 158 SER H 0.000 . 3.800 3.531 3.407 3.708 . 0 0 "[ . 1 . 2]" 1
1888 1 157 GLY HA2 1 158 SER H 0.000 . 3.800 3.397 3.318 3.464 . 0 0 "[ . 1 . 2]" 1
1889 1 157 GLY HA3 1 158 SER H 0.000 . 3.600 3.097 2.981 3.218 . 0 0 "[ . 1 . 2]" 1
1890 1 157 GLY H 1 158 SER H 0.000 . 3.000 2.651 2.536 2.793 . 0 0 "[ . 1 . 2]" 1
1891 1 158 SER H 1 158 SER HB3 0.000 . 3.800 3.334 3.063 3.800 0.000 10 0 "[ . 1 . 2]" 1
1892 1 158 SER H 1 158 SER HB2 0.000 . 3.800 3.369 2.929 3.787 . 0 0 "[ . 1 . 2]" 1
1893 1 158 SER H 1 159 PHE H 0.000 . 5.400 4.134 4.009 4.215 . 0 0 "[ . 1 . 2]" 1
1894 1 158 SER HA 1 159 PHE H 0.000 . 3.800 2.427 2.333 2.507 . 0 0 "[ . 1 . 2]" 1
1895 1 158 SER HA 1 159 PHE QD 0.000 . 5.200 3.735 3.297 3.960 . 0 0 "[ . 1 . 2]" 1
1896 1 158 SER HB3 1 159 PHE H 0.000 . 3.800 3.505 2.602 3.918 0.118 6 0 "[ . 1 . 2]" 1
1897 1 158 SER HB2 1 159 PHE H 0.000 . 3.800 3.756 2.696 3.975 0.175 1 0 "[ . 1 . 2]" 1
1898 1 159 PHE H 1 159 PHE HZ 0.000 . 5.000 5.056 4.998 5.104 0.104 20 0 "[ . 1 . 2]" 1
1899 1 159 PHE H 1 159 PHE QD 0.000 . 3.800 2.448 2.044 2.779 . 0 0 "[ . 1 . 2]" 1
1900 1 159 PHE HA 1 160 GLU H 0.000 . 5.000 2.391 2.335 2.443 . 0 0 "[ . 1 . 2]" 1
1901 1 159 PHE H 1 160 GLU H 0.000 . 5.400 4.382 4.325 4.420 . 0 0 "[ . 1 . 2]" 1
1902 1 159 PHE QD 1 160 GLU HA 0.000 . 4.800 4.103 3.693 4.502 . 0 0 "[ . 1 . 2]" 1
1903 1 159 PHE QD 1 160 GLU H 0.000 . 5.400 3.687 3.443 3.890 . 0 0 "[ . 1 . 2]" 1
1904 1 159 PHE HB2 1 160 GLU H 0.000 . 5.400 2.664 2.510 2.819 . 0 0 "[ . 1 . 2]" 1
1905 1 159 PHE QE 1 160 GLU H 0.000 . 6.000 5.696 5.487 5.925 . 0 0 "[ . 1 . 2]" 1
1906 1 159 PHE HB3 1 160 GLU H 0.000 . 5.200 3.757 3.624 3.868 . 0 0 "[ . 1 . 2]" 1
1907 1 159 PHE QE 1 161 CYS HA 0.000 . 6.000 5.469 5.059 5.868 . 0 0 "[ . 1 . 2]" 1
1908 1 159 PHE QE 1 169 LEU MD2 0.000 . 5.200 3.401 2.193 4.569 . 0 0 "[ . 1 . 2]" 1
1909 1 159 PHE HZ 1 169 LEU MD2 0.000 . 5.600 4.587 3.555 5.609 0.009 5 0 "[ . 1 . 2]" 1
1910 1 160 GLU H 1 160 GLU QG 0.000 . 5.000 2.467 1.976 2.926 . 0 0 "[ . 1 . 2]" 1
1911 1 160 GLU H 1 160 GLU HG3 0.000 . 5.400 2.907 2.043 3.953 . 0 0 "[ . 1 . 2]" 1
1912 1 160 GLU HB3 1 161 CYS H 0.000 . 5.200 3.427 2.784 3.793 . 0 0 "[ . 1 . 2]" 1
1913 1 160 GLU HA 1 161 CYS H 0.000 . 3.400 2.289 2.242 2.396 . 0 0 "[ . 1 . 2]" 1
1914 1 160 GLU HG3 1 161 CYS H 0.000 . 5.400 5.369 4.962 5.740 0.340 13 0 "[ . 1 . 2]" 1
1915 1 160 GLU HB2 1 161 CYS H 0.000 . 5.400 4.000 3.633 4.362 . 0 0 "[ . 1 . 2]" 1
1916 1 160 GLU H 1 161 CYS H 0.000 . 5.600 4.218 4.027 4.343 . 0 0 "[ . 1 . 2]" 1
1917 1 161 CYS HB3 1 162 LYS HB3 0.000 . 5.400 5.666 5.317 5.818 0.418 10 0 "[ . 1 . 2]" 1
1918 1 161 CYS HB3 1 162 LYS HB2 0.000 . 5.400 5.313 5.030 5.847 0.447 14 0 "[ . 1 . 2]" 1
1919 1 161 CYS HB3 1 169 LEU MD1 0.000 . 4.200 3.049 2.467 4.212 0.012 14 0 "[ . 1 . 2]" 1
1920 1 161 CYS HB3 1 169 LEU MD2 0.000 . 5.400 3.411 2.779 4.452 . 0 0 "[ . 1 . 2]" 1
1921 1 162 LYS HB3 1 163 CYS H 0.000 . 3.800 3.801 3.237 4.244 0.444 14 0 "[ . 1 . 2]" 1
1922 1 162 LYS HB2 1 163 CYS H 0.000 . 4.200 4.167 3.681 4.373 0.173 7 0 "[ . 1 . 2]" 1
1923 1 162 LYS HG2 1 163 CYS H 0.000 . 5.000 4.423 2.957 5.225 0.225 3 0 "[ . 1 . 2]" 1
1924 1 162 LYS HA 1 163 CYS H 0.000 . 3.000 2.224 2.156 2.299 . 0 0 "[ . 1 . 2]" 1
1925 1 163 CYS H 1 163 CYS HB3 0.000 . 3.800 3.428 3.335 3.585 . 0 0 "[ . 1 . 2]" 1
1926 1 163 CYS H 1 163 CYS HB2 0.000 . 3.600 2.510 2.233 2.681 . 0 0 "[ . 1 . 2]" 1
1927 1 163 CYS HA 1 164 PRO HG2 0.000 . 5.400 4.599 4.369 4.820 . 0 0 "[ . 1 . 2]" 1
1928 1 163 CYS HA 1 164 PRO HG3 0.000 . 5.400 4.317 4.134 4.532 . 0 0 "[ . 1 . 2]" 1
1929 1 163 CYS HA 1 164 PRO HD3 0.000 . 5.400 2.206 2.015 2.434 . 0 0 "[ . 1 . 2]" 1
1930 1 163 CYS HA 1 164 PRO HD2 0.000 . 5.400 2.714 2.310 2.973 . 0 0 "[ . 1 . 2]" 1
1931 1 163 CYS HB2 1 164 PRO HD2 0.000 . 5.400 3.639 3.169 4.238 . 0 0 "[ . 1 . 2]" 1
1932 1 163 CYS HB2 1 164 PRO HD3 0.000 . 5.400 4.235 3.912 4.676 . 0 0 "[ . 1 . 2]" 1
1933 1 163 CYS HA 1 164 PRO HB2 0.000 . 5.600 5.154 4.840 5.354 . 0 0 "[ . 1 . 2]" 1
1934 1 163 CYS HB3 1 167 HIS H 0.000 . 5.000 4.629 4.059 5.025 0.025 5 0 "[ . 1 . 2]" 1
1935 1 163 CYS HB2 1 167 HIS HB3 0.000 . 5.400 3.274 2.694 3.977 . 0 0 "[ . 1 . 2]" 1
1936 1 163 CYS HB2 1 167 HIS H 0.000 . 4.200 4.514 4.269 5.024 0.824 13 6 "[-* *. 1* + . * 2]" 1
1937 1 163 CYS HB2 1 168 LYS H 0.000 . 5.600 4.368 3.372 5.288 . 0 0 "[ . 1 . 2]" 1
1938 1 164 PRO HB3 1 165 ALA MB 0.000 . 4.600 4.501 4.366 4.624 0.024 5 0 "[ . 1 . 2]" 1
1939 1 164 PRO HA 1 165 ALA MB 0.000 . 5.400 4.066 4.008 4.119 . 0 0 "[ . 1 . 2]" 1
1940 1 164 PRO HA 1 165 ALA HA 0.000 . 5.000 4.169 4.090 4.210 . 0 0 "[ . 1 . 2]" 1
1941 1 164 PRO HG3 1 165 ALA H 0.000 . 5.000 4.924 4.831 5.023 0.023 16 0 "[ . 1 . 2]" 1
1942 1 164 PRO HB2 1 165 ALA H 0.000 . 3.400 3.380 3.147 3.548 0.148 2 0 "[ . 1 . 2]" 1
1943 1 164 PRO HB3 1 165 ALA H 0.000 . 3.600 3.123 2.979 3.229 . 0 0 "[ . 1 . 2]" 1
1944 1 164 PRO HA 1 165 ALA H 0.000 . 3.000 2.353 2.295 2.437 . 0 0 "[ . 1 . 2]" 1
1945 1 164 PRO HA 1 167 HIS HD2 0.000 . 5.200 5.088 4.626 5.214 0.014 12 0 "[ . 1 . 2]" 1
1946 1 164 PRO HG3 1 167 HIS HD2 0.000 . 5.600 5.455 5.280 5.523 . 0 0 "[ . 1 . 2]" 1
1947 1 164 PRO HB3 1 167 HIS HD2 0.000 . 5.200 4.209 3.970 4.362 . 0 0 "[ . 1 . 2]" 1
1948 1 164 PRO HB2 1 167 HIS H 0.000 . 5.000 4.017 3.736 4.485 . 0 0 "[ . 1 . 2]" 1
1949 1 164 PRO HG2 1 167 HIS HD2 0.000 . 5.200 4.425 4.230 4.576 . 0 0 "[ . 1 . 2]" 1
1950 1 164 PRO HB2 1 167 HIS HD2 0.000 . 4.800 2.795 2.569 2.883 . 0 0 "[ . 1 . 2]" 1
1951 1 164 PRO HB3 1 167 HIS H 0.000 . 5.600 5.305 5.009 5.687 0.087 14 0 "[ . 1 . 2]" 1
1952 1 165 ALA H 1 165 ALA MB 0.000 . 2.800 2.143 2.120 2.163 . 0 0 "[ . 1 . 2]" 1
1953 1 165 ALA MB 1 166 GLY HA2 0.000 . 4.600 4.158 3.970 4.280 . 0 0 "[ . 1 . 2]" 1
1954 1 165 ALA MB 1 166 GLY HA3 0.000 . 5.400 3.900 3.851 3.960 . 0 0 "[ . 1 . 2]" 1
1955 1 165 ALA HA 1 166 GLY H 0.000 . 4.600 2.334 2.231 2.461 . 0 0 "[ . 1 . 2]" 1
1956 1 165 ALA MB 1 166 GLY H 0.000 . 3.600 2.766 2.473 2.965 . 0 0 "[ . 1 . 2]" 1
1957 1 165 ALA H 1 166 GLY H 0.000 . 5.400 4.506 4.446 4.533 . 0 0 "[ . 1 . 2]" 1
1958 1 165 ALA HA 1 166 GLY HA2 0.000 . 5.400 4.400 4.314 4.502 . 0 0 "[ . 1 . 2]" 1
1959 1 165 ALA HA 1 167 HIS H 0.000 . 5.400 3.458 3.268 3.692 . 0 0 "[ . 1 . 2]" 1
1960 1 165 ALA MB 1 167 HIS H 0.000 . 3.800 4.220 4.187 4.277 0.477 2 0 "[ . 1 . 2]" 1
1961 1 165 ALA MB 1 167 HIS HD2 0.000 . 5.200 4.676 4.398 4.914 . 0 0 "[ . 1 . 2]" 1
1962 1 165 ALA H 1 167 HIS H 0.000 . 5.600 4.436 4.284 4.638 . 0 0 "[ . 1 . 2]" 1
1963 1 166 GLY HA3 1 167 HIS H 0.000 . 3.000 2.942 2.872 2.988 . 0 0 "[ . 1 . 2]" 1
1964 1 166 GLY H 1 167 HIS H 0.000 . 3.200 2.984 2.896 3.091 . 0 0 "[ . 1 . 2]" 1
1965 1 166 GLY HA2 1 167 HIS HD2 0.000 . 5.200 4.857 4.499 5.167 . 0 0 "[ . 1 . 2]" 1
1966 1 166 GLY HA3 1 167 HIS HD2 0.000 . 5.200 3.616 3.249 3.942 . 0 0 "[ . 1 . 2]" 1
1967 1 166 GLY HA2 1 167 HIS H 0.000 . 3.600 3.425 3.396 3.462 . 0 0 "[ . 1 . 2]" 1
1968 1 167 HIS H 1 167 HIS HD2 0.000 . 5.000 2.459 2.193 2.722 . 0 0 "[ . 1 . 2]" 1
1969 1 167 HIS H 1 167 HIS HB3 0.000 . 3.000 3.341 3.314 3.387 0.387 15 0 "[ . 1 . 2]" 1
1970 1 167 HIS HA 1 167 HIS HD2 0.000 . 5.200 3.465 3.283 3.982 . 0 0 "[ . 1 . 2]" 1
1971 1 167 HIS H 1 167 HIS HB2 0.000 . 3.200 2.282 2.214 2.409 . 0 0 "[ . 1 . 2]" 1
1972 1 167 HIS HB3 1 168 LYS H 0.000 . 5.200 2.509 2.181 2.709 . 0 0 "[ . 1 . 2]" 1
1973 1 167 HIS H 1 168 LYS H 0.000 . 4.600 4.449 4.359 4.486 . 0 0 "[ . 1 . 2]" 1
1974 1 167 HIS HB2 1 168 LYS H 0.000 . 4.200 3.613 3.345 3.810 . 0 0 "[ . 1 . 2]" 1
1975 1 167 HIS HA 1 168 LYS H 0.000 . 3.000 2.433 2.341 2.542 . 0 0 "[ . 1 . 2]" 1
1976 1 167 HIS HD2 1 177 GLU HA 0.000 . 4.800 4.810 4.295 5.000 0.200 14 0 "[ . 1 . 2]" 1
1977 1 167 HIS HA 1 177 GLU H 0.000 . 5.200 4.047 3.586 4.775 . 0 0 "[ . 1 . 2]" 1
1978 1 168 LYS HB2 1 168 LYS HE3 0.000 . 5.000 4.252 3.232 4.721 . 0 0 "[ . 1 . 2]" 1
1979 1 168 LYS H 1 168 LYS HG2 0.000 . 5.000 4.046 3.705 4.950 . 0 0 "[ . 1 . 2]" 1
1980 1 168 LYS H 1 168 LYS HB3 0.000 . 3.800 3.608 2.939 3.712 . 0 0 "[ . 1 . 2]" 1
1981 1 168 LYS QB 1 169 LEU H 0.000 . 4.600 3.064 2.706 3.531 . 0 0 "[ . 1 . 2]" 1
1982 1 168 LYS HB3 1 169 LEU H 0.000 . 3.800 3.188 2.767 3.875 0.075 18 0 "[ . 1 . 2]" 1
1983 1 168 LYS HA 1 169 LEU H 0.000 . 3.000 2.324 2.239 2.426 . 0 0 "[ . 1 . 2]" 1
1984 1 168 LYS HG2 1 169 LEU H 0.000 . 4.600 4.427 3.947 4.731 0.131 1 0 "[ . 1 . 2]" 1
1985 1 168 LYS H 1 169 LEU H 0.000 . 5.200 4.142 3.947 4.243 . 0 0 "[ . 1 . 2]" 1
1986 1 168 LYS HA 1 169 LEU HB2 0.000 . 5.400 4.573 4.388 4.737 . 0 0 "[ . 1 . 2]" 1
1987 1 168 LYS HA 1 169 LEU HB3 0.000 . 5.400 4.726 4.569 4.799 . 0 0 "[ . 1 . 2]" 1
1988 1 168 LYS H 1 177 GLU H 0.000 . 3.600 2.516 2.113 3.156 . 0 0 "[ . 1 . 2]" 1
1989 1 168 LYS HB3 1 177 GLU H 0.000 . 5.400 5.124 4.645 5.541 0.141 11 0 "[ . 1 . 2]" 1
1990 1 168 LYS HG3 1 177 GLU H 0.000 . 5.400 5.347 4.937 5.714 0.314 18 0 "[ . 1 . 2]" 1
1991 1 168 LYS HA 1 177 GLU H 0.000 . 5.400 4.743 4.365 5.151 . 0 0 "[ . 1 . 2]" 1
1992 1 169 LEU HB3 1 169 LEU HG 0.000 . 2.800 2.410 2.364 2.464 . 0 0 "[ . 1 . 2]" 1
1993 1 169 LEU HA 1 169 LEU MD1 0.000 . 3.000 2.208 2.086 2.357 . 0 0 "[ . 1 . 2]" 1
1994 1 169 LEU MD1 1 169 LEU MD2 0.000 . 2.800 2.057 2.048 2.067 . 0 0 "[ . 1 . 2]" 1
1995 1 169 LEU HB2 1 169 LEU MD1 0.000 . 3.600 2.300 2.241 2.354 . 0 0 "[ . 1 . 2]" 1
1996 1 169 LEU HB3 1 169 LEU MD1 0.000 . 3.600 3.067 3.045 3.083 . 0 0 "[ . 1 . 2]" 1
1997 1 169 LEU H 1 169 LEU HG 0.000 . 5.000 4.275 4.195 4.315 . 0 0 "[ . 1 . 2]" 1
1998 1 169 LEU H 1 169 LEU MD1 0.000 . 5.000 4.073 3.980 4.187 . 0 0 "[ . 1 . 2]" 1
1999 1 169 LEU HB3 1 170 ASN H 0.000 . 5.800 3.995 3.818 4.172 . 0 0 "[ . 1 . 2]" 1
2000 1 169 LEU MD1 1 170 ASN H 0.000 . 3.400 2.519 2.198 2.750 . 0 0 "[ . 1 . 2]" 1
2001 1 169 LEU HG 1 170 ASN H 0.000 . 5.600 2.719 2.385 3.153 . 0 0 "[ . 1 . 2]" 1
2002 1 169 LEU HA 1 170 ASN H 0.000 . 4.000 2.259 2.205 2.309 . 0 0 "[ . 1 . 2]" 1
2003 1 169 LEU HB2 1 170 ASN H 0.000 . 5.400 4.089 3.996 4.249 . 0 0 "[ . 1 . 2]" 1
2004 1 169 LEU MD2 1 170 ASN H 0.000 . 5.400 4.201 3.963 4.538 . 0 0 "[ . 1 . 2]" 1
2005 1 169 LEU MD2 1 171 GLU HG2 0.000 . 4.200 2.655 2.281 3.276 . 0 0 "[ . 1 . 2]" 1
2006 1 169 LEU MD2 1 171 GLU HA 0.000 . 5.000 3.795 3.453 4.603 . 0 0 "[ . 1 . 2]" 1
2007 1 169 LEU MD1 1 171 GLU HG2 0.000 . 4.200 4.049 3.586 4.311 0.111 13 0 "[ . 1 . 2]" 1
2008 1 169 LEU MD1 1 171 GLU HG3 0.000 . 5.000 4.523 4.169 4.877 . 0 0 "[ . 1 . 2]" 1
2009 1 169 LEU HG 1 171 GLU HA 0.000 . 5.000 3.644 3.322 4.106 . 0 0 "[ . 1 . 2]" 1
2010 1 169 LEU MD2 1 171 GLU HG3 0.000 . 4.600 3.061 2.619 3.700 . 0 0 "[ . 1 . 2]" 1
2011 1 169 LEU MD1 1 171 GLU HA 0.000 . 4.200 3.824 3.550 4.233 0.033 4 0 "[ . 1 . 2]" 1
2012 1 169 LEU MD1 1 174 GLN HA 0.000 . 3.600 2.751 2.431 3.111 . 0 0 "[ . 1 . 2]" 1
2013 1 169 LEU MD1 1 174 GLN HB3 0.000 . 4.800 3.624 3.056 4.612 . 0 0 "[ . 1 . 2]" 1
2014 1 169 LEU MD2 1 174 GLN H 0.000 . 5.600 5.593 5.426 5.688 0.088 6 0 "[ . 1 . 2]" 1
2015 1 169 LEU MD1 1 174 GLN H 0.000 . 5.000 4.521 4.230 4.912 . 0 0 "[ . 1 . 2]" 1
2016 1 169 LEU MD2 1 174 GLN HA 0.000 . 4.600 4.110 3.876 4.339 . 0 0 "[ . 1 . 2]" 1
2017 1 169 LEU HG 1 174 GLN HA 0.000 . 5.400 3.889 3.609 4.121 . 0 0 "[ . 1 . 2]" 1
2018 1 169 LEU MD2 1 175 LYS H 0.000 . 5.400 5.371 5.199 5.488 0.088 12 0 "[ . 1 . 2]" 1
2019 1 169 LEU HA 1 175 LYS H 0.000 . 5.400 4.579 4.195 4.939 . 0 0 "[ . 1 . 2]" 1
2020 1 169 LEU MD1 1 175 LYS H 0.000 . 3.800 3.365 2.963 3.800 . 0 0 "[ . 1 . 2]" 1
2021 1 169 LEU MD1 1 176 CYS H 0.000 . 5.800 4.126 3.056 4.669 . 0 0 "[ . 1 . 2]" 1
2022 1 169 LEU MD1 1 177 GLU H 0.000 . 5.400 5.328 4.664 5.588 0.188 12 0 "[ . 1 . 2]" 1
2023 1 169 LEU HA 1 177 GLU H 0.000 . 5.000 4.275 3.655 4.581 . 0 0 "[ . 1 . 2]" 1
2024 1 170 ASN HA 1 171 GLU HA 0.000 . 5.000 4.320 4.242 4.354 . 0 0 "[ . 1 . 2]" 1
2025 1 170 ASN HB2 1 171 GLU H 0.000 . 5.400 4.428 4.338 4.515 . 0 0 "[ . 1 . 2]" 1
2026 1 170 ASN HB3 1 171 GLU H 0.000 . 5.400 4.357 4.261 4.433 . 0 0 "[ . 1 . 2]" 1
2027 1 170 ASN H 1 171 GLU H 0.000 . 5.600 3.884 3.767 4.089 . 0 0 "[ . 1 . 2]" 1
2028 1 170 ASN HD22 1 172 VAL MG1 0.000 . 5.000 4.590 4.159 5.008 0.008 6 0 "[ . 1 . 2]" 1
2029 1 170 ASN HD22 1 172 VAL H 0.000 . 5.400 4.440 3.963 5.126 . 0 0 "[ . 1 . 2]" 1
2030 1 170 ASN HD21 1 172 VAL MG1 0.000 . 5.000 3.559 3.277 4.053 . 0 0 "[ . 1 . 2]" 1
2031 1 170 ASN HA 1 174 GLN HA 0.000 . 5.400 5.339 5.092 5.491 0.091 19 0 "[ . 1 . 2]" 1
2032 1 170 ASN H 1 174 GLN HB3 0.000 . 5.800 6.033 5.898 6.478 0.678 14 2 "[ . 1 -+. 2]" 1
2033 1 170 ASN HB2 1 175 LYS H 0.000 . 5.000 4.268 3.971 4.501 . 0 0 "[ . 1 . 2]" 1
2034 1 170 ASN H 1 175 LYS H 0.000 . 5.000 2.818 2.609 3.067 . 0 0 "[ . 1 . 2]" 1
2035 1 170 ASN HB3 1 175 LYS H 0.000 . 5.000 2.844 2.478 3.165 . 0 0 "[ . 1 . 2]" 1
2036 1 171 GLU H 1 171 GLU HB2 0.000 . 3.600 2.412 2.354 2.487 . 0 0 "[ . 1 . 2]" 1
2037 1 171 GLU HB2 1 171 GLU HG2 0.000 . 3.000 2.825 2.815 2.828 . 0 0 "[ . 1 . 2]" 1
2038 1 171 GLU HA 1 171 GLU HG2 0.000 . 4.200 2.500 2.407 2.616 . 0 0 "[ . 1 . 2]" 1
2039 1 171 GLU H 1 171 GLU HB3 0.000 . 3.800 3.371 3.354 3.390 . 0 0 "[ . 1 . 2]" 1
2040 1 171 GLU H 1 171 GLU HG3 0.000 . 3.800 2.261 2.066 2.431 . 0 0 "[ . 1 . 2]" 1
2041 1 171 GLU HB2 1 171 GLU HG3 0.000 . 2.800 2.330 2.270 2.379 . 0 0 "[ . 1 . 2]" 1
2042 1 171 GLU H 1 171 GLU HG2 0.000 . 4.600 3.184 3.079 3.358 . 0 0 "[ . 1 . 2]" 1
2043 1 171 GLU HG2 1 172 VAL H 0.000 . 5.000 5.086 5.030 5.142 0.142 14 0 "[ . 1 . 2]" 1
2044 1 171 GLU HA 1 172 VAL H 0.000 . 5.000 3.331 3.273 3.398 . 0 0 "[ . 1 . 2]" 1
2045 1 171 GLU H 1 172 VAL H 0.000 . 3.600 2.699 2.566 2.811 . 0 0 "[ . 1 . 2]" 1
2046 1 171 GLU HB2 1 172 VAL H 0.000 . 5.000 3.203 2.999 3.399 . 0 0 "[ . 1 . 2]" 1
2047 1 171 GLU HB3 1 172 VAL H 0.000 . 5.200 3.950 3.695 4.084 . 0 0 "[ . 1 . 2]" 1
2048 1 171 GLU HB2 1 172 VAL MG2 0.000 . 4.200 3.850 3.561 4.174 . 0 0 "[ . 1 . 2]" 1
2049 1 171 GLU HG3 1 172 VAL H 0.000 . 5.000 4.592 4.385 4.760 . 0 0 "[ . 1 . 2]" 1
2050 1 171 GLU H 1 172 VAL MG2 0.000 . 4.600 3.779 3.610 4.002 . 0 0 "[ . 1 . 2]" 1
2051 1 171 GLU H 1 173 SER H 0.000 . 5.600 4.479 4.220 4.820 . 0 0 "[ . 1 . 2]" 1
2052 1 171 GLU HA 1 173 SER H 0.000 . 5.400 3.870 3.190 4.455 . 0 0 "[ . 1 . 2]" 1
2053 1 171 GLU HA 1 174 GLN H 0.000 . 5.400 2.925 2.477 3.286 . 0 0 "[ . 1 . 2]" 1
2054 1 171 GLU HA 1 174 GLN HA 0.000 . 5.400 2.756 2.178 3.036 . 0 0 "[ . 1 . 2]" 1
2055 1 171 GLU HB3 1 174 GLN H 0.000 . 5.400 4.774 4.423 5.140 . 0 0 "[ . 1 . 2]" 1
2056 1 171 GLU HA 1 175 LYS H 0.000 . 4.600 4.352 4.073 4.626 0.026 6 0 "[ . 1 . 2]" 1
2057 1 171 GLU H 1 175 LYS H 0.000 . 5.400 4.992 4.861 5.201 . 0 0 "[ . 1 . 2]" 1
2058 1 172 VAL HA 1 172 VAL MG2 0.000 . 2.800 2.371 2.301 2.447 . 0 0 "[ . 1 . 2]" 1
2059 1 172 VAL H 1 172 VAL MG2 0.000 . 2.800 1.994 1.851 2.166 . 0 0 "[ . 1 . 2]" 1
2060 1 172 VAL H 1 172 VAL HB 0.000 . 3.800 2.466 2.337 2.553 . 0 0 "[ . 1 . 2]" 1
2061 1 172 VAL H 1 172 VAL MG1 0.000 . 3.600 3.606 3.583 3.621 0.021 3 0 "[ . 1 . 2]" 1
2062 1 172 VAL HB 1 173 SER H 0.000 . 3.600 2.834 2.357 3.167 . 0 0 "[ . 1 . 2]" 1
2063 1 172 VAL MG1 1 173 SER H 0.000 . 4.600 3.563 3.153 3.918 . 0 0 "[ . 1 . 2]" 1
2064 1 172 VAL MG2 1 173 SER H 0.000 . 3.800 3.875 3.704 3.952 0.152 4 0 "[ . 1 . 2]" 1
2065 1 172 VAL H 1 173 SER H 0.000 . 3.600 2.733 2.594 2.863 . 0 0 "[ . 1 . 2]" 1
2066 1 172 VAL MG1 1 174 GLN H 0.000 . 5.600 5.165 4.813 5.384 . 0 0 "[ . 1 . 2]" 1
2067 1 172 VAL H 1 174 GLN H 0.000 . 5.200 3.991 3.728 4.188 . 0 0 "[ . 1 . 2]" 1
2068 1 173 SER H 1 174 GLN H 0.000 . 3.600 2.341 1.699 2.609 . 0 0 "[ . 1 . 2]" 1
2069 1 173 SER HB2 1 174 GLN H 0.000 . 5.000 4.301 4.088 4.567 . 0 0 "[ . 1 . 2]" 1
2070 1 173 SER HA 1 174 GLN H 0.000 . 5.400 2.873 2.708 3.297 . 0 0 "[ . 1 . 2]" 1
2071 1 173 SER H 1 174 GLN HA 0.000 . 5.400 3.918 3.722 4.159 . 0 0 "[ . 1 . 2]" 1
2072 1 173 SER HB3 1 174 GLN H 0.000 . 5.600 4.385 3.276 4.607 . 0 0 "[ . 1 . 2]" 1
2073 1 173 SER HB2 1 175 LYS HB2 0.000 . 5.400 3.725 2.860 5.335 . 0 0 "[ . 1 . 2]" 1
2074 1 173 SER HB2 1 175 LYS H 0.000 . 5.600 4.332 3.667 5.126 . 0 0 "[ . 1 . 2]" 1
2075 1 173 SER HB3 1 175 LYS H 0.000 . 5.800 4.686 3.525 5.570 . 0 0 "[ . 1 . 2]" 1
2076 1 173 SER H 1 175 LYS H 0.000 . 5.000 3.339 3.030 3.752 . 0 0 "[ . 1 . 2]" 1
2077 1 173 SER HA 1 175 LYS H 0.000 . 5.400 4.699 4.493 5.221 . 0 0 "[ . 1 . 2]" 1
2078 1 174 GLN H 1 174 GLN HB3 0.000 . 3.800 3.445 2.704 3.898 0.098 4 0 "[ . 1 . 2]" 1
2079 1 174 GLN HA 1 175 LYS H 0.000 . 3.600 2.681 2.560 2.851 . 0 0 "[ . 1 . 2]" 1
2080 1 174 GLN HB2 1 175 LYS H 0.000 . 5.000 4.317 4.235 4.487 . 0 0 "[ . 1 . 2]" 1
2081 1 174 GLN H 1 175 LYS H 0.000 . 3.200 3.175 2.650 3.308 0.108 12 0 "[ . 1 . 2]" 1
2082 1 175 LYS H 1 175 LYS HB3 0.000 . 4.200 2.845 2.354 3.600 . 0 0 "[ . 1 . 2]" 1
2083 1 175 LYS H 1 175 LYS HG3 0.000 . 5.200 3.864 2.720 4.486 . 0 0 "[ . 1 . 2]" 1
2084 1 175 LYS H 1 175 LYS HG2 0.000 . 5.000 4.152 3.603 4.452 . 0 0 "[ . 1 . 2]" 1
2085 1 175 LYS H 1 175 LYS HB2 0.000 . 3.600 2.514 2.264 2.825 . 0 0 "[ . 1 . 2]" 1
2086 1 175 LYS HB2 1 175 LYS HE3 0.000 . 5.400 4.286 4.088 4.558 . 0 0 "[ . 1 . 2]" 1
2087 1 175 LYS HE3 1 175 LYS HG2 0.000 . 2.800 2.882 2.441 3.093 0.293 3 0 "[ . 1 . 2]" 1
2088 1 175 LYS HB3 1 176 CYS H 0.000 . 5.200 3.342 2.209 4.390 . 0 0 "[ . 1 . 2]" 1
2089 1 175 LYS H 1 176 CYS H 0.000 . 5.800 4.350 4.143 4.461 . 0 0 "[ . 1 . 2]" 1
2090 1 175 LYS HB2 1 176 CYS H 0.000 . 5.400 3.952 3.267 4.421 . 0 0 "[ . 1 . 2]" 1
2091 1 176 CYS HA 1 177 GLU H 0.000 . 3.800 2.355 2.214 2.525 . 0 0 "[ . 1 . 2]" 1
2092 1 176 CYS HB3 1 177 GLU H 0.000 . 4.200 3.922 2.473 4.400 0.200 13 0 "[ . 1 . 2]" 1
2093 1 176 CYS H 1 177 GLU H 0.000 . 5.600 3.751 3.362 4.378 . 0 0 "[ . 1 . 2]" 1
2094 1 176 CYS HB2 1 177 GLU H 0.000 . 5.000 4.342 3.543 4.568 . 0 0 "[ . 1 . 2]" 1
2095 1 177 GLU H 1 177 GLU HB2 0.000 . 4.000 3.055 2.634 3.487 . 0 0 "[ . 1 . 2]" 1
2096 1 177 GLU H 1 177 GLU HG3 0.000 . 4.200 4.317 3.066 4.692 0.492 15 0 "[ . 1 . 2]" 1
2097 1 177 GLU H 1 177 GLU HG2 0.000 . 5.000 4.052 3.161 4.885 . 0 0 "[ . 1 . 2]" 1
2098 1 177 GLU H 1 177 GLU HB3 0.000 . 3.800 3.227 2.583 3.983 0.183 16 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 106
_Distance_constraint_stats_list.Viol_count 193
_Distance_constraint_stats_list.Viol_total 636.174
_Distance_constraint_stats_list.Viol_max 0.675
_Distance_constraint_stats_list.Viol_rms 0.0624
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.1648
_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 14 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 1.649 0.251 8 0 "[ . 1 . 2]"
1 26 CYS 1.649 0.251 8 0 "[ . 1 . 2]"
1 27 GLN 0.727 0.122 10 0 "[ . 1 . 2]"
1 28 LYS 0.727 0.122 10 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 1.040 0.120 7 0 "[ . 1 . 2]"
1 31 ILE 0.074 0.037 13 0 "[ . 1 . 2]"
1 32 GLY 0.074 0.037 13 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 1.040 0.120 7 0 "[ . 1 . 2]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 3.592 0.321 19 0 "[ . 1 . 2]"
1 42 SER 3.592 0.321 19 0 "[ . 1 . 2]"
1 43 GLY 3.106 0.255 3 0 "[ . 1 . 2]"
1 45 LEU 4.672 0.255 3 0 "[ . 1 . 2]"
1 46 ASN 0.077 0.035 7 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 2.411 0.434 2 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PHE 1.489 0.207 15 0 "[ . 1 . 2]"
1 63 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 2.411 0.434 2 0 "[ . 1 . 2]"
1 66 GLN 3.592 0.321 19 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 TYR 2.411 0.434 2 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 0.242 0.102 14 0 "[ . 1 . 2]"
1 80 ILE 0.028 0.028 16 0 "[ . 1 . 2]"
1 86 GLN 0.214 0.102 14 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 THR 0.781 0.272 19 0 "[ . 1 . 2]"
1 98 LEU 0.781 0.272 19 0 "[ . 1 . 2]"
1 99 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 VAL 1.621 0.675 3 2 "[ + . 1- . 2]"
1 105 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 PRO 8.462 0.494 7 0 "[ . 1 . 2]"
1 119 HIS 8.462 0.494 7 0 "[ . 1 . 2]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 PHE 4.637 0.330 19 0 "[ . 1 . 2]"
1 126 ILE 4.637 0.330 19 0 "[ . 1 . 2]"
1 129 ILE 1.781 0.180 5 0 "[ . 1 . 2]"
1 130 ARG 1.781 0.180 5 0 "[ . 1 . 2]"
1 131 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ALA 4.637 0.330 19 0 "[ . 1 . 2]"
1 134 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 VAL 0.120 0.055 8 0 "[ . 1 . 2]"
1 143 ILE 0.120 0.055 8 0 "[ . 1 . 2]"
1 144 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 151 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 153 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 156 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 159 PHE 1.741 0.675 3 2 "[ + . 1- . 2]"
1 160 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 162 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 165 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 168 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 169 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 172 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 173 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 MET HA 1 14 MET QB 0.000 . 2.800 2.247 2.208 2.327 . 0 0 "[ . 1 . 2]" 2
2 1 14 MET QB 1 15 ASN H 0.000 . 5.000 2.519 2.024 2.944 . 0 0 "[ . 1 . 2]" 2
3 1 15 ASN HB2 1 30 TYR QR 0.000 . 6.000 3.459 3.066 3.843 . 0 0 "[ . 1 . 2]" 2
4 1 15 ASN HD21 1 30 TYR QR 0.000 . 6.000 3.490 2.908 4.609 . 0 0 "[ . 1 . 2]" 2
5 1 15 ASN HA 1 30 TYR QR 0.000 . 5.600 4.155 3.801 4.378 . 0 0 "[ . 1 . 2]" 2
6 1 15 ASN HD22 1 30 TYR QR 0.000 . 5.400 3.070 2.140 4.627 . 0 0 "[ . 1 . 2]" 2
7 1 18 SER H 1 25 LEU QD 0.000 . 5.400 4.415 3.681 5.127 . 0 0 "[ . 1 . 2]" 2
8 1 18 SER HB2 1 25 LEU QD 0.000 . 5.400 3.299 2.158 4.685 . 0 0 "[ . 1 . 2]" 2
9 1 18 SER H 1 27 GLN HB3 0.000 . 6.500 5.013 4.180 6.256 . 0 0 "[ . 1 . 2]" 2
10 1 19 CYS HA 1 20 SER H 0.000 . 2.800 2.195 2.057 2.315 . 0 0 "[ . 1 . 2]" 2
11 1 20 SER HB3 1 25 LEU QD 0.000 . 4.600 3.136 2.200 3.985 . 0 0 "[ . 1 . 2]" 2
12 1 20 SER HB2 1 25 LEU QD 0.000 . 5.000 3.101 2.079 4.089 . 0 0 "[ . 1 . 2]" 2
13 1 25 LEU H 1 25 LEU QD 0.000 . 3.800 3.194 2.966 3.537 . 0 0 "[ . 1 . 2]" 2
14 1 25 LEU QD 1 26 CYS H 0.000 . 3.800 3.707 3.338 3.835 0.035 8 0 "[ . 1 . 2]" 2
15 1 25 LEU QD 1 26 CYS HB2 0.000 . 5.400 5.409 4.739 5.651 0.251 8 0 "[ . 1 . 2]" 2
16 1 27 GLN HG2 1 30 TYR QR 0.000 . 6.000 4.757 3.640 5.453 . 0 0 "[ . 1 . 2]" 2
17 1 27 GLN HB3 1 28 LYS H 0.000 . 2.800 2.643 1.785 2.922 0.122 10 0 "[ . 1 . 2]" 2
18 1 28 LYS H 1 30 TYR QR 0.000 . 6.500 4.752 3.771 5.449 . 0 0 "[ . 1 . 2]" 2
19 1 28 LYS HA 1 29 GLY H 0.000 . 2.800 2.023 1.986 2.047 . 0 0 "[ . 1 . 2]" 2
20 1 30 TYR H 1 39 VAL QG 0.000 . 4.200 4.243 4.078 4.320 0.120 7 0 "[ . 1 . 2]" 2
21 1 31 ILE H 1 32 GLY HA2 0.000 . 5.400 5.036 4.692 5.222 . 0 0 "[ . 1 . 2]" 2
22 1 31 ILE MD 1 32 GLY H 0.000 . 3.400 3.270 3.127 3.437 0.037 13 0 "[ . 1 . 2]" 2
23 1 31 ILE MD 1 32 GLY HA3 0.000 . 6.500 4.517 4.385 4.651 . 0 0 "[ . 1 . 2]" 2
24 1 31 ILE HG12 1 32 GLY HA3 0.000 . 6.500 4.307 4.050 4.717 . 0 0 "[ . 1 . 2]" 2
25 1 33 THR HA 1 34 HIS HA 0.000 . 6.000 3.971 3.897 4.029 . 0 0 "[ . 1 . 2]" 2
26 1 14 MET QB 1 36 GLY H 0.000 . 6.000 3.836 3.567 4.020 . 0 0 "[ . 1 . 2]" 2
27 1 30 TYR QR 1 37 GLN H 0.000 . 6.500 3.908 3.194 4.312 . 0 0 "[ . 1 . 2]" 2
28 1 31 ILE MD 1 37 GLN HB3 0.000 . 6.000 2.856 2.719 2.987 . 0 0 "[ . 1 . 2]" 2
29 1 31 ILE MD 1 37 GLN HB2 0.000 . 6.000 3.813 3.627 4.009 . 0 0 "[ . 1 . 2]" 2
30 1 31 ILE MD 1 37 GLN QG 0.000 . 5.000 3.211 2.777 3.603 . 0 0 "[ . 1 . 2]" 2
31 1 31 ILE MD 1 37 GLN H 0.000 . 6.500 4.603 4.502 4.787 . 0 0 "[ . 1 . 2]" 2
32 1 31 ILE MD 1 37 GLN HA 0.000 . 6.500 4.852 4.752 4.930 . 0 0 "[ . 1 . 2]" 2
33 1 30 TYR QR 1 38 PRO HB3 0.000 . 6.000 2.337 2.033 2.869 . 0 0 "[ . 1 . 2]" 2
34 1 30 TYR QR 1 39 VAL H 0.000 . 6.000 4.168 3.628 4.508 . 0 0 "[ . 1 . 2]" 2
35 1 39 VAL H 1 39 VAL QG 0.000 . 3.400 2.042 1.950 2.259 . 0 0 "[ . 1 . 2]" 2
36 1 29 GLY HA2 1 39 VAL H 0.000 . 6.000 3.495 3.329 3.654 . 0 0 "[ . 1 . 2]" 2
37 1 39 VAL QG 1 40 CYS HB2 0.000 . 5.400 4.645 4.221 4.974 . 0 0 "[ . 1 . 2]" 2
38 1 39 VAL QG 1 40 CYS HB3 0.000 . 5.400 5.043 4.806 5.127 . 0 0 "[ . 1 . 2]" 2
39 1 41 GLU HG3 1 42 SER HA 0.000 . 6.000 4.534 3.121 5.414 . 0 0 "[ . 1 . 2]" 2
40 1 41 GLU HG2 1 42 SER HA 0.000 . 6.000 4.876 4.487 5.095 . 0 0 "[ . 1 . 2]" 2
41 1 41 GLU HG3 1 42 SER HA 0.000 . 6.000 5.173 4.016 5.680 . 0 0 "[ . 1 . 2]" 2
42 1 41 GLU HG2 1 42 SER HA 0.000 . 5.000 5.180 5.026 5.321 0.321 19 0 "[ . 1 . 2]" 2
43 1 43 GLY H 1 45 LEU QD 0.000 . 5.000 5.155 5.067 5.255 0.255 3 0 "[ . 1 . 2]" 2
44 1 45 LEU H 1 45 LEU QD 0.000 . 3.800 3.320 2.786 3.565 . 0 0 "[ . 1 . 2]" 2
45 1 45 LEU QD 1 46 ASN H 0.000 . 3.600 3.498 3.333 3.635 0.035 7 0 "[ . 1 . 2]" 2
46 1 45 LEU QD 1 46 ASN HA 0.000 . 5.400 5.026 4.836 5.157 . 0 0 "[ . 1 . 2]" 2
47 1 45 LEU QD 1 47 GLY H 0.000 . 5.400 4.668 4.319 5.170 . 0 0 "[ . 1 . 2]" 2
48 1 51 VAL H 1 52 ALA MB 0.000 . 5.600 3.759 3.641 3.915 . 0 0 "[ . 1 . 2]" 2
49 1 30 TYR QR 1 53 PRO HD2 0.000 . 6.000 3.312 2.714 3.758 . 0 0 "[ . 1 . 2]" 2
50 1 30 TYR QR 1 53 PRO HD3 0.000 . 6.000 2.424 2.012 2.838 . 0 0 "[ . 1 . 2]" 2
51 1 55 ARG H 1 55 ARG QB 0.000 . 2.800 2.127 2.021 2.251 . 0 0 "[ . 1 . 2]" 2
52 1 45 LEU QD 1 62 PHE QE 0.000 . 5.600 4.738 4.411 5.334 . 0 0 "[ . 1 . 2]" 2
53 1 45 LEU QD 1 62 PHE QD 0.000 . 5.600 4.586 4.332 5.048 . 0 0 "[ . 1 . 2]" 2
54 1 45 LEU QD 1 62 PHE HZ 0.000 . 6.000 6.036 5.756 6.207 0.207 15 0 "[ . 1 . 2]" 2
55 1 63 THR H 1 69 ARG HA 0.000 . 5.600 4.559 4.290 4.924 . 0 0 "[ . 1 . 2]" 2
56 1 45 LEU QD 1 66 GLN HG3 0.000 . 5.000 3.768 3.048 4.159 . 0 0 "[ . 1 . 2]" 2
57 1 45 LEU QD 1 66 GLN HE22 0.000 . 5.000 3.905 2.877 4.785 . 0 0 "[ . 1 . 2]" 2
58 1 45 LEU QD 1 66 GLN HE21 0.000 . 4.200 2.937 1.936 4.106 . 0 0 "[ . 1 . 2]" 2
59 1 45 LEU QD 1 66 GLN HB3 0.000 . 5.400 4.094 3.810 4.777 . 0 0 "[ . 1 . 2]" 2
60 1 45 LEU QD 1 68 GLU HG3 0.000 . 5.400 4.248 3.930 4.375 . 0 0 "[ . 1 . 2]" 2
61 1 45 LEU QD 1 68 GLU HG2 0.000 . 5.400 3.616 3.402 3.874 . 0 0 "[ . 1 . 2]" 2
62 1 45 LEU QD 1 68 GLU HA 0.000 . 5.000 2.463 2.237 2.735 . 0 0 "[ . 1 . 2]" 2
63 1 60 TYR QE 1 71 TYR QD 0.000 . 5.400 5.508 5.265 5.834 0.434 2 0 "[ . 1 . 2]" 2
64 1 71 TYR QE 1 93 VAL QG 0.000 . 6.000 4.450 2.660 5.083 . 0 0 "[ . 1 . 2]" 2
65 1 77 PHE QE 1 90 SER QB 0.000 . 5.600 4.256 3.178 4.910 . 0 0 "[ . 1 . 2]" 2
66 1 79 VAL HA 1 79 VAL QG 0.000 . 2.800 2.245 2.100 2.344 . 0 0 "[ . 1 . 2]" 2
67 1 79 VAL QG 1 80 ILE H 0.000 . 3.000 2.797 2.086 3.028 0.028 16 0 "[ . 1 . 2]" 2
68 1 80 ILE H 1 80 ILE MD 0.000 . 3.800 3.328 2.295 3.562 . 0 0 "[ . 1 . 2]" 2
69 1 79 VAL QG 1 86 GLN QG 0.000 . 3.400 2.912 2.134 3.502 0.102 14 0 "[ . 1 . 2]" 2
70 1 97 THR H 1 98 LEU QD 0.000 . 5.000 4.485 4.085 5.272 0.272 19 0 "[ . 1 . 2]" 2
71 1 76 CYS HB3 1 99 CYS H 0.000 . 6.000 5.514 5.056 5.808 . 0 0 "[ . 1 . 2]" 2
72 1 97 THR MG 1 99 CYS H 0.000 . 6.000 4.846 4.507 5.097 . 0 0 "[ . 1 . 2]" 2
73 1 96 LYS QD 1 99 CYS H 0.000 . 6.000 5.818 5.294 5.938 . 0 0 "[ . 1 . 2]" 2
74 1 92 ILE MD 1 99 CYS H 0.000 . 5.000 4.504 3.969 4.960 . 0 0 "[ . 1 . 2]" 2
75 1 101 ALA H 1 126 ILE MD 0.000 . 5.000 4.110 3.903 4.310 . 0 0 "[ . 1 . 2]" 2
76 1 101 ALA MB 1 126 ILE MD 0.000 . 2.800 2.277 2.090 2.432 . 0 0 "[ . 1 . 2]" 2
77 1 103 VAL MG1 1 159 PHE QE 0.000 . 5.200 3.152 2.058 3.571 . 0 0 "[ . 1 . 2]" 2
78 1 103 VAL MG2 1 159 PHE QE 0.000 . 3.400 2.690 1.929 4.075 0.675 3 2 "[ + . 1- . 2]" 2
79 1 92 ILE MD 1 107 TRP HD1 0.000 . 5.200 3.835 3.368 4.183 . 0 0 "[ . 1 . 2]" 2
80 1 118 PRO HA 1 119 HIS H 0.000 . 3.000 3.399 2.509 3.494 0.494 7 0 "[ . 1 . 2]" 2
81 1 124 GLY HA2 1 125 PHE H 0.000 . 3.800 2.952 2.895 3.025 . 0 0 "[ . 1 . 2]" 2
82 1 125 PHE QE 1 126 ILE HG12 0.000 . 5.600 5.832 5.723 5.930 0.330 19 0 "[ . 1 . 2]" 2
83 1 129 ILE MD 1 130 ARG H 0.000 . 3.800 3.889 3.797 3.980 0.180 5 0 "[ . 1 . 2]" 2
84 1 131 THR HA 1 133 ALA H 0.000 . 3.800 3.276 3.156 3.414 . 0 0 "[ . 1 . 2]" 2
85 1 134 CYS HB3 1 135 GLN H 0.000 . 4.200 3.122 2.728 3.463 . 0 0 "[ . 1 . 2]" 2
86 1 136 ASP H 1 156 VAL QG 0.000 . 5.000 3.432 2.639 3.770 . 0 0 "[ . 1 . 2]" 2
87 1 144 PRO HA 1 145 GLY H 0.000 . 3.000 2.237 1.859 2.635 . 0 0 "[ . 1 . 2]" 2
88 1 92 ILE HB 1 146 LEU QD 0.000 . 6.000 5.340 4.801 5.938 . 0 0 "[ . 1 . 2]" 2
89 1 143 ILE MD 1 146 LEU QD 0.000 . 3.400 1.948 1.732 2.276 . 0 0 "[ . 1 . 2]" 2
90 1 146 LEU QD 1 159 PHE QE 0.000 . 5.200 2.234 2.093 2.489 . 0 0 "[ . 1 . 2]" 2
91 1 151 ASN HA 1 153 ILE H 0.000 . 6.000 4.488 4.211 4.753 . 0 0 "[ . 1 . 2]" 2
92 1 153 ILE H 1 162 LYS HB2 0.000 . 6.000 5.579 5.114 5.992 . 0 0 "[ . 1 . 2]" 2
93 1 156 VAL QG 1 157 GLY H 0.000 . 3.800 3.408 2.817 3.561 . 0 0 "[ . 1 . 2]" 2
94 1 153 ILE MD 1 160 GLU HG3 0.000 . 5.000 3.748 3.161 4.242 . 0 0 "[ . 1 . 2]" 2
95 1 153 ILE MD 1 160 GLU H 0.000 . 5.600 4.046 3.819 4.236 . 0 0 "[ . 1 . 2]" 2
96 1 160 GLU QG 1 161 CYS H 0.000 . 5.000 4.549 4.224 4.768 . 0 0 "[ . 1 . 2]" 2
97 1 165 ALA HA 1 166 GLY H 0.000 . 3.000 2.193 2.125 2.277 . 0 0 "[ . 1 . 2]" 2
98 1 168 LYS HB3 1 169 LEU H 0.000 . 3.400 2.456 2.389 2.622 . 0 0 "[ . 1 . 2]" 2
99 1 172 VAL HA 1 173 SER H 0.000 . 4.200 3.393 3.317 3.459 . 0 0 "[ . 1 . 2]" 2
100 1 73 THR HA 1 107 TRP HZ3 0.000 . 6.000 5.515 4.825 5.862 . 0 0 "[ . 1 . 2]" 2
101 1 73 THR HA 1 107 TRP HH2 0.000 . 5.200 4.183 3.502 4.609 . 0 0 "[ . 1 . 2]" 2
102 1 105 ARG HB2 1 146 LEU QD 0.000 . 6.000 5.142 3.851 5.646 . 0 0 "[ . 1 . 2]" 2
103 1 137 VAL MG1 1 159 PHE HZ 0.000 . 5.200 4.975 3.987 5.255 0.055 8 0 "[ . 1 . 2]" 2
104 1 61 GLY HA2 1 62 PHE QE 0.000 . 5.600 4.596 4.097 4.964 . 0 0 "[ . 1 . 2]" 2
105 1 73 THR HA 1 107 TRP HD1 0.000 . 6.000 4.251 3.856 4.534 . 0 0 "[ . 1 . 2]" 2
106 1 61 GLY HA2 1 62 PHE HZ 0.000 . 6.000 5.434 4.779 5.959 . 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 13
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 9 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 152 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 161 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 163 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 176 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 CYS SG 1 19 CYS SG 2.020 . 2.120 2.029 2.023 2.035 . 0 0 "[ . 1 . 2]" 3
2 1 13 CYS SG 1 24 CYS SG 2.020 . 2.120 2.027 2.022 2.035 . 0 0 "[ . 1 . 2]" 3
3 1 26 CYS SG 1 35 CYS SG 2.020 . 2.120 2.026 2.017 2.033 . 0 0 "[ . 1 . 2]" 3
4 1 40 CYS SG 1 50 CYS SG 2.020 . 2.120 2.029 2.023 2.037 . 0 0 "[ . 1 . 2]" 3
5 1 44 CYS SG 1 56 CYS SG 2.020 . 2.120 2.031 2.024 2.036 . 0 0 "[ . 1 . 2]" 3
6 1 58 CYS SG 1 67 CYS SG 2.020 . 2.120 2.027 2.018 2.035 . 0 0 "[ . 1 . 2]" 3
7 1 76 CYS SG 1 99 CYS SG 2.020 . 2.120 2.031 2.023 2.040 . 0 0 "[ . 1 . 2]" 3
8 1 85 CYS SG 1 111 CYS SG 2.020 . 2.120 2.033 2.025 2.043 . 0 0 "[ . 1 . 2]" 3
9 1 100 CYS SG 1 114 CYS SG 2.020 . 2.120 2.030 2.019 2.038 . 0 0 "[ . 1 . 2]" 3
10 1 121 CYS SG 1 134 CYS SG 2.020 . 2.120 2.032 2.027 2.036 . 0 0 "[ . 1 . 2]" 3
11 1 140 CYS SG 1 152 CYS SG 2.020 . 2.120 2.031 2.027 2.036 . 0 0 "[ . 1 . 2]" 3
12 1 147 CYS SG 1 161 CYS SG 2.020 . 2.120 2.032 2.028 2.035 . 0 0 "[ . 1 . 2]" 3
13 1 163 CYS SG 1 176 CYS SG 2.020 . 2.120 2.032 2.024 2.042 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 76
_Distance_constraint_stats_list.Viol_count 796
_Distance_constraint_stats_list.Viol_total 1908.370
_Distance_constraint_stats_list.Viol_max 0.397
_Distance_constraint_stats_list.Viol_rms 0.0916
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0628
_Distance_constraint_stats_list.Viol_average_violations_only 0.1199
_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 27 GLN 3.273 0.261 16 0 "[ . 1 . 2]"
1 29 GLY 0.412 0.062 7 0 "[ . 1 . 2]"
1 30 TYR 3.273 0.261 16 0 "[ . 1 . 2]"
1 31 ILE 6.360 0.289 6 0 "[ . 1 . 2]"
1 37 GLN 6.360 0.289 6 0 "[ . 1 . 2]"
1 39 VAL 0.412 0.062 7 0 "[ . 1 . 2]"
1 45 LEU 1.479 0.180 18 0 "[ . 1 . 2]"
1 48 GLY 1.479 0.180 18 0 "[ . 1 . 2]"
1 49 ARG 7.882 0.389 4 0 "[ . 1 . 2]"
1 51 VAL 0.104 0.093 3 0 "[ . 1 . 2]"
1 52 ALA 6.016 0.273 20 0 "[ . 1 . 2]"
1 55 ARG 6.121 0.273 20 0 "[ . 1 . 2]"
1 57 ALA 7.882 0.389 4 0 "[ . 1 . 2]"
1 64 GLY 2.752 0.254 1 0 "[ . 1 . 2]"
1 67 CYS 2.752 0.254 1 0 "[ . 1 . 2]"
1 75 PRO 0.467 0.134 12 0 "[ . 1 . 2]"
1 77 PHE 7.244 0.359 6 0 "[ . 1 . 2]"
1 79 VAL 6.490 0.393 14 0 "[ . 1 . 2]"
1 85 CYS 6.490 0.393 14 0 "[ . 1 . 2]"
1 95 THR 6.264 0.235 14 0 "[ . 1 . 2]"
1 96 LYS 0.354 0.092 12 0 "[ . 1 . 2]"
1 97 THR 0.194 0.061 8 0 "[ . 1 . 2]"
1 98 LEU 5.371 0.235 14 0 "[ . 1 . 2]"
1 99 CYS 7.904 0.397 9 0 "[ . 1 . 2]"
1 100 CYS 0.354 0.092 12 0 "[ . 1 . 2]"
1 101 ALA 0.194 0.061 8 0 "[ . 1 . 2]"
1 102 THR 1.439 0.175 6 0 "[ . 1 . 2]"
1 104 GLY 5.572 0.397 9 0 "[ . 1 . 2]"
1 105 ARG 2.737 0.242 1 0 "[ . 1 . 2]"
1 106 ALA 7.244 0.359 6 0 "[ . 1 . 2]"
1 107 TRP 1.069 0.223 13 0 "[ . 1 . 2]"
1 108 GLY 0.467 0.134 12 0 "[ . 1 . 2]"
1 112 GLU 1.069 0.223 13 0 "[ . 1 . 2]"
1 114 CYS 2.737 0.242 1 0 "[ . 1 . 2]"
1 122 ARG 0.834 0.188 19 0 "[ . 1 . 2]"
1 124 GLY 1.228 0.209 16 0 "[ . 1 . 2]"
1 125 PHE 0.834 0.188 19 0 "[ . 1 . 2]"
1 126 ILE 4.234 0.193 2 0 "[ . 1 . 2]"
1 128 ASN 0.517 0.125 18 0 "[ . 1 . 2]"
1 133 ALA 0.517 0.125 18 0 "[ . 1 . 2]"
1 135 GLN 4.234 0.193 2 0 "[ . 1 . 2]"
1 137 VAL 1.228 0.209 16 0 "[ . 1 . 2]"
1 138 ASP 0.735 0.187 6 0 "[ . 1 . 2]"
1 139 GLU 0.876 0.232 6 0 "[ . 1 . 2]"
1 142 ALA 0.735 0.187 6 0 "[ . 1 . 2]"
1 143 ILE 6.374 0.381 6 0 "[ . 1 . 2]"
1 146 LEU 5.498 0.381 6 0 "[ . 1 . 2]"
1 151 ASN 3.909 0.282 4 0 "[ . 1 . 2]"
1 153 ILE 1.304 0.073 4 0 "[ . 1 . 2]"
1 155 THR 11.910 0.329 16 0 "[ . 1 . 2]"
1 158 SER 11.910 0.329 16 0 "[ . 1 . 2]"
1 160 GLU 1.304 0.073 4 0 "[ . 1 . 2]"
1 162 LYS 3.909 0.282 4 0 "[ . 1 . 2]"
1 170 ASN 4.266 0.303 4 0 "[ . 1 . 2]"
1 175 LYS 4.266 0.303 4 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 27 GLN O 1 30 TYR H 1.800 . 2.000 2.154 2.065 2.261 0.261 16 0 "[ . 1 . 2]" 4
2 1 31 ILE H 1 37 GLN O 1.800 . 2.000 1.884 1.822 2.029 0.029 9 0 "[ . 1 . 2]" 4
3 1 29 GLY O 1 39 VAL H 1.800 . 2.000 1.887 1.820 1.990 . 0 0 "[ . 1 . 2]" 4
4 1 31 ILE O 1 37 GLN H 1.800 . 2.000 2.230 2.139 2.289 0.289 6 0 "[ . 1 . 2]" 4
5 1 45 LEU O 1 48 GLY H 1.800 . 2.000 2.047 1.894 2.180 0.180 18 0 "[ . 1 . 2]" 4
6 1 49 ARG H 1 57 ALA O 1.800 . 2.000 2.303 2.188 2.389 0.389 4 0 "[ . 1 . 2]" 4
7 1 51 VAL H 1 55 ARG O 1.800 . 2.000 1.936 1.879 2.093 0.093 3 0 "[ . 1 . 2]" 4
8 1 52 ALA H 1 55 ARG O 1.800 . 2.000 2.205 2.158 2.273 0.273 20 0 "[ . 1 . 2]" 4
9 1 52 ALA O 1 55 ARG H 1.800 . 2.000 2.040 1.898 2.155 0.155 15 0 "[ . 1 . 2]" 4
10 1 49 ARG O 1 57 ALA H 1.800 . 2.000 1.822 1.773 1.853 0.027 19 0 "[ . 1 . 2]" 4
11 1 64 GLY O 1 67 CYS H 1.800 . 2.000 2.137 2.010 2.254 0.254 1 0 "[ . 1 . 2]" 4
12 1 77 PHE H 1 106 ALA O 1.800 . 2.000 2.101 1.980 2.192 0.192 3 0 "[ . 1 . 2]" 4
13 1 79 VAL H 1 85 CYS O 1.800 . 2.000 2.262 2.134 2.393 0.393 14 0 "[ . 1 . 2]" 4
14 1 95 THR O 1 99 CYS H 1.800 . 2.000 2.094 1.885 2.235 0.235 14 0 "[ . 1 . 2]" 4
15 1 96 LYS O 1 100 CYS H 1.800 . 2.000 1.962 1.884 2.063 0.063 18 0 "[ . 1 . 2]" 4
16 1 95 THR OG1 1 98 LEU H 1.800 . 2.000 2.175 2.080 2.235 0.235 14 0 "[ . 1 . 2]" 4
17 1 97 THR O 1 101 ALA H 1.800 . 2.000 1.950 1.862 2.061 0.061 8 0 "[ . 1 . 2]" 4
18 1 98 LEU O 1 102 THR H 1.800 . 2.000 2.067 1.922 2.175 0.175 6 0 "[ . 1 . 2]" 4
19 1 99 CYS O 1 104 GLY H 1.800 . 2.000 2.276 2.140 2.397 0.397 9 0 "[ . 1 . 2]" 4
20 1 77 PHE O 1 106 ALA H 1.800 . 2.000 2.258 2.117 2.359 0.359 6 0 "[ . 1 . 2]" 4
21 1 107 TRP H 1 112 GLU O 1.800 . 2.000 2.015 1.875 2.223 0.223 13 0 "[ . 1 . 2]" 4
22 1 75 PRO O 1 108 GLY H 1.800 . 2.000 1.997 1.902 2.134 0.134 12 0 "[ . 1 . 2]" 4
23 1 105 ARG O 1 114 CYS H 1.800 . 2.000 2.109 1.891 2.242 0.242 1 0 "[ . 1 . 2]" 4
24 1 122 ARG O 1 125 PHE H 1.800 . 2.000 1.978 1.875 2.188 0.188 19 0 "[ . 1 . 2]" 4
25 1 126 ILE H 1 135 GLN O 1.800 . 2.000 2.072 1.988 2.138 0.138 8 0 "[ . 1 . 2]" 4
26 1 128 ASN H 1 133 ALA O 1.800 . 2.000 1.993 1.910 2.125 0.125 18 0 "[ . 1 . 2]" 4
27 1 126 ILE O 1 135 GLN H 1.800 . 2.000 2.135 2.050 2.193 0.193 2 0 "[ . 1 . 2]" 4
28 1 124 GLY O 1 137 VAL H 1.800 . 2.000 2.037 1.900 2.209 0.209 16 0 "[ . 1 . 2]" 4
29 1 138 ASP O 1 142 ALA H 1.800 . 2.000 1.872 1.800 2.187 0.187 6 0 "[ . 1 . 2]" 4
30 1 139 GLU O 1 143 ILE H 1.800 . 2.000 2.033 1.932 2.232 0.232 6 0 "[ . 1 . 2]" 4
31 1 143 ILE O 1 146 LEU H 1.800 . 2.000 2.239 2.117 2.381 0.381 6 0 "[ . 1 . 2]" 4
32 1 151 ASN H 1 162 LYS O 1.800 . 2.000 2.187 2.061 2.282 0.282 4 0 "[ . 1 . 2]" 4
33 1 153 ILE H 1 160 GLU O 1.800 . 2.000 1.926 1.848 2.066 0.066 14 0 "[ . 1 . 2]" 4
34 1 155 THR H 1 158 SER O 1.800 . 2.000 2.181 2.122 2.225 0.225 11 0 "[ . 1 . 2]" 4
35 1 155 THR O 1 158 SER H 1.800 . 2.000 2.284 2.249 2.329 0.329 16 0 "[ . 1 . 2]" 4
36 1 153 ILE O 1 160 GLU H 1.800 . 2.000 1.875 1.802 1.988 . 0 0 "[ . 1 . 2]" 4
37 1 170 ASN H 1 175 LYS O 1.800 . 2.000 1.984 1.837 2.125 0.125 9 0 "[ . 1 . 2]" 4
38 1 170 ASN O 1 175 LYS H 1.800 . 2.000 2.178 2.043 2.303 0.303 4 0 "[ . 1 . 2]" 4
39 1 77 PHE O 1 106 ALA N 2.800 2.700 3.000 2.879 2.665 3.006 0.035 5 0 "[ . 1 . 2]" 4
40 1 31 ILE N 1 37 GLN O 2.800 2.700 3.000 2.679 2.632 2.735 0.068 15 0 "[ . 1 . 2]" 4
41 1 155 THR N 1 158 SER O 2.800 2.700 3.000 2.907 2.835 2.963 . 0 0 "[ . 1 . 2]" 4
42 1 151 ASN N 1 162 LYS O 2.800 2.700 3.000 2.980 2.850 3.048 0.048 4 0 "[ . 1 . 2]" 4
43 1 77 PHE N 1 106 ALA O 2.800 2.700 3.000 2.768 2.688 2.841 0.012 12 0 "[ . 1 . 2]" 4
44 1 52 ALA O 1 55 ARG N 2.800 2.700 3.000 2.783 2.688 2.868 0.012 8 0 "[ . 1 . 2]" 4
45 1 52 ALA N 1 55 ARG O 2.800 2.700 3.000 3.037 2.979 3.102 0.102 20 0 "[ . 1 . 2]" 4
46 1 49 ARG O 1 57 ALA N 2.800 2.700 3.000 2.651 2.614 2.689 0.086 19 0 "[ . 1 . 2]" 4
47 1 95 THR OG1 1 98 LEU N 2.800 2.700 3.000 3.015 2.914 3.061 0.061 5 0 "[ . 1 . 2]" 4
48 1 126 ILE N 1 135 GLN O 2.800 2.700 3.000 2.861 2.779 2.926 . 0 0 "[ . 1 . 2]" 4
49 1 153 ILE N 1 160 GLU O 2.800 2.700 3.000 2.668 2.627 2.703 0.073 4 0 "[ . 1 . 2]" 4
50 1 29 GLY O 1 39 VAL N 2.800 2.700 3.000 2.681 2.638 2.715 0.062 7 0 "[ . 1 . 2]" 4
51 1 155 THR O 1 158 SER N 2.800 2.700 3.000 3.130 3.098 3.174 0.174 16 0 "[ . 1 . 2]" 4
52 1 95 THR O 1 99 CYS N 2.800 2.700 3.000 2.931 2.727 3.084 0.084 14 0 "[ . 1 . 2]" 4
53 1 75 PRO O 1 108 GLY N 2.800 2.700 3.000 2.803 2.714 2.935 . 0 0 "[ . 1 . 2]" 4
54 1 170 ASN O 1 175 LYS N 2.800 2.700 3.000 2.943 2.825 3.056 0.056 4 0 "[ . 1 . 2]" 4
55 1 139 GLU O 1 143 ILE N 2.800 2.700 3.000 2.771 2.658 2.855 0.042 19 0 "[ . 1 . 2]" 4
56 1 96 LYS O 1 100 CYS N 2.800 2.700 3.000 2.716 2.608 2.804 0.092 12 0 "[ . 1 . 2]" 4
57 1 27 GLN O 1 30 TYR N 2.800 2.700 3.000 2.945 2.829 3.074 0.074 16 0 "[ . 1 . 2]" 4
58 1 153 ILE O 1 160 GLU N 2.800 2.700 3.000 2.682 2.627 2.786 0.073 9 0 "[ . 1 . 2]" 4
59 1 99 CYS O 1 104 GLY N 2.800 2.700 3.000 2.877 2.749 3.060 0.060 14 0 "[ . 1 . 2]" 4
60 1 138 ASP O 1 142 ALA N 2.800 2.700 3.000 2.699 2.633 2.965 0.067 8 0 "[ . 1 . 2]" 4
61 1 126 ILE O 1 135 GLN N 2.800 2.700 3.000 2.973 2.866 3.030 0.030 2 0 "[ . 1 . 2]" 4
62 1 122 ARG O 1 125 PHE N 2.800 2.700 3.000 2.741 2.641 3.004 0.059 11 0 "[ . 1 . 2]" 4
63 1 128 ASN N 1 133 ALA O 2.800 2.700 3.000 2.843 2.768 2.963 . 0 0 "[ . 1 . 2]" 4
64 1 64 GLY O 1 67 CYS N 2.800 2.700 3.000 2.930 2.824 3.009 0.009 14 0 "[ . 1 . 2]" 4
65 1 79 VAL N 1 85 CYS O 2.800 2.700 3.000 3.053 2.843 3.153 0.153 5 0 "[ . 1 . 2]" 4
66 1 45 LEU O 1 48 GLY N 2.800 2.700 3.000 2.771 2.654 2.932 0.046 4 0 "[ . 1 . 2]" 4
67 1 97 THR O 1 101 ALA N 2.800 2.700 3.000 2.762 2.673 2.869 0.027 15 0 "[ . 1 . 2]" 4
68 1 51 VAL N 1 55 ARG O 2.800 2.700 3.000 2.768 2.698 2.932 0.002 20 0 "[ . 1 . 2]" 4
69 1 98 LEU O 1 102 THR N 2.800 2.700 3.000 2.863 2.771 2.997 . 0 0 "[ . 1 . 2]" 4
70 1 107 TRP N 1 112 GLU O 2.800 2.700 3.000 2.796 2.700 2.955 0.000 18 0 "[ . 1 . 2]" 4
71 1 143 ILE O 1 146 LEU N 2.800 2.700 3.000 3.021 2.931 3.198 0.198 6 0 "[ . 1 . 2]" 4
72 1 124 GLY O 1 137 VAL N 2.800 2.700 3.000 2.783 2.665 2.979 0.035 10 0 "[ . 1 . 2]" 4
73 1 170 ASN N 1 175 LYS O 2.800 2.700 3.000 2.741 2.627 2.882 0.073 5 0 "[ . 1 . 2]" 4
74 1 31 ILE O 1 37 GLN N 2.800 2.700 3.000 3.062 2.987 3.102 0.102 6 0 "[ . 1 . 2]" 4
75 1 49 ARG N 1 57 ALA O 2.800 2.700 3.000 3.034 2.949 3.119 0.119 10 0 "[ . 1 . 2]" 4
76 1 105 ARG O 1 114 CYS N 2.800 2.700 3.000 2.944 2.736 3.101 0.101 1 0 "[ . 1 . 2]" 4
stop_
save_
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