NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
637006 |
6if9   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6if9
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 1103
_Distance_constraint_stats_list.Viol_count 6074
_Distance_constraint_stats_list.Viol_total 33881.414
_Distance_constraint_stats_list.Viol_max 1.977
_Distance_constraint_stats_list.Viol_rms 0.1940
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0768
_Distance_constraint_stats_list.Viol_average_violations_only 0.2789
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.223 0.157 20 0 "[ . 1 . 2]"
1 3 LYS 0.135 0.061 20 0 "[ . 1 . 2]"
1 4 THR 1.077 0.335 4 0 "[ . 1 . 2]"
1 6 THR 64.320 1.910 7 20 [******+************-]
1 7 LYS 102.479 1.910 7 20 [-*****+*************]
1 8 ILE 5.806 0.286 14 0 "[ . 1 . 2]"
1 9 THR 9.389 0.510 16 1 "[ . 1 .+ 2]"
1 10 PHE 4.901 0.215 4 0 "[ . 1 . 2]"
1 11 TYR 10.156 0.679 12 5 "[ *- *1*+ . 2]"
1 12 GLU 6.703 0.393 13 0 "[ . 1 . 2]"
1 13 ASP 14.279 0.353 13 0 "[ . 1 . 2]"
1 14 LYS 34.714 0.582 20 20 [*************-*****+]
1 15 ASN 21.144 0.555 13 6 "[ ** .* 1 + * - 2]"
1 16 PHE 42.920 0.555 13 6 "[ ** .* 1 + * - 2]"
1 17 GLN 23.069 0.353 13 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ARG 3.597 0.175 7 0 "[ . 1 . 2]"
1 20 ARG 21.865 0.618 10 20 [*********+*****-****]
1 21 TYR 39.707 0.640 13 12 "[ -* . * *** +**** *2]"
1 22 ASP 16.607 0.439 5 0 "[ . 1 . 2]"
1 23 CYS 2.941 0.232 1 0 "[ . 1 . 2]"
1 24 ASP 8.235 0.410 14 0 "[ . 1 . 2]"
1 25 CYS 7.070 0.400 3 0 "[ . 1 . 2]"
1 26 ASP 8.986 0.400 3 0 "[ . 1 . 2]"
1 27 CYS 0.009 0.005 12 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 31.031 0.467 17 0 "[ . 1 . 2]"
1 31 HIS 33.998 1.119 20 20 [************-******+]
1 32 THR 22.854 1.119 20 20 [************-******+]
1 33 TYR 31.866 0.640 13 12 "[ -* . * *** +**** *2]"
1 34 LEU 48.062 1.144 5 20 [****+*************-*]
1 35 SER 12.136 0.326 7 0 "[ . 1 . 2]"
1 36 ARG 31.059 0.747 19 20 [***-**************+*]
1 37 CYS 6.551 0.456 7 0 "[ . 1 . 2]"
1 38 ASN 7.885 0.679 12 5 "[ *- *1*+ . 2]"
1 39 SER 9.280 0.430 2 0 "[ . 1 . 2]"
1 40 ILE 22.351 0.830 16 10 "[* .*** 1 *+**-*]"
1 41 LYS 42.415 0.691 16 20 [*-*************+****]
1 42 VAL 44.251 1.354 5 20 [****+**************-]
1 43 GLU 44.387 1.354 5 20 [****+**********-****]
1 46 THR 1.864 0.182 2 0 "[ . 1 . 2]"
1 47 TRP 33.586 0.869 10 19 "[*********+*** ******]"
1 48 ALA 7.378 0.369 2 0 "[ . 1 . 2]"
1 49 VAL 17.867 0.832 16 20 [***************+*-**]
1 50 TYR 36.726 1.447 7 16 "[******+**- ***.* * *]"
1 51 GLU 46.906 1.977 18 16 "[******-**1 ***.* +**]"
1 52 ARG 6.439 0.564 10 2 "[ -. + . 2]"
1 53 PRO 0.335 0.068 10 0 "[ . 1 . 2]"
1 54 ASN 0.658 0.164 11 0 "[ . 1 . 2]"
1 55 PHE 0.539 0.123 11 0 "[ . 1 . 2]"
1 56 ALA 44.462 1.977 18 14 "[******** 1 *-*.* + *]"
1 57 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 16.973 0.951 10 7 "[ * . *+* * * -2]"
1 59 MET 8.500 0.786 9 2 "[ . +- . 2]"
1 60 TYR 14.450 0.694 4 14 "[* +******** -*** 2]"
1 61 ILE 0.142 0.065 12 0 "[ . 1 . 2]"
1 62 LEU 16.986 0.579 19 5 "[ .- 1 * * * +2]"
1 63 PRO 11.308 0.694 4 14 "[* +******** -*** 2]"
1 64 GLN 1.984 0.126 20 0 "[ . 1 . 2]"
1 66 GLU 10.502 0.379 19 0 "[ . 1 . 2]"
1 67 TYR 21.478 0.422 2 0 "[ . 1 . 2]"
1 68 PRO 13.823 0.379 19 0 "[ . 1 . 2]"
1 69 GLU 10.306 0.259 14 0 "[ . 1 . 2]"
1 70 TYR 54.616 1.039 4 20 [**-+****************]
1 71 GLN 48.544 1.039 4 20 [***+********-*******]
1 72 ARG 47.291 1.047 11 20 [**********+**-******]
1 73 TRP 58.046 1.047 11 20 [**-*******+*********]
1 74 MET 4.630 0.473 3 0 "[ . 1 . 2]"
1 76 LEU 11.233 0.605 11 3 "[ . 1+* . - 2]"
1 77 ASN 4.578 0.531 11 1 "[ . 1+ . 2]"
1 78 ASP 0.833 0.214 5 0 "[ . 1 . 2]"
1 79 ARG 37.477 1.043 4 20 [***+***********-****]
1 80 LEU 19.473 0.822 2 12 "[ + ** * ***** .- **2]"
1 81 SER 7.421 0.378 9 0 "[ . 1 . 2]"
1 82 SER 5.357 0.378 9 0 "[ . 1 . 2]"
1 83 CYS 20.737 0.869 10 18 "[******-**+*** *** **]"
1 84 ARG 16.897 0.681 10 2 "[ . + .- 2]"
1 85 ALA 8.910 0.545 18 2 "[ . - . + 2]"
1 86 VAL 1.070 0.182 2 0 "[ . 1 . 2]"
1 87 HIS 2.040 0.218 5 0 "[ . 1 . 2]"
1 88 LEU 14.303 0.781 20 1 "[ . 1 . +]"
1 89 PRO 32.751 0.641 2 9 "[ + - ** ** ** *]"
1 90 SER 1.330 0.781 20 1 "[ . 1 . +]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLN 13.391 0.661 20 1 "[ . 1 . +]"
1 94 TYR 12.643 0.942 12 2 "[ . 1 + . *]"
1 95 LYS 51.785 0.808 17 20 [****************+**-]
1 96 ILE 5.204 0.333 5 0 "[ . 1 . 2]"
1 97 GLN 16.832 0.439 14 0 "[ . 1 . 2]"
1 98 ILE 0.684 0.684 6 1 "[ .+ 1 . 2]"
1 99 PHE 7.450 0.502 4 2 "[- +. 1 . 2]"
1 100 GLU 15.381 0.501 20 1 "[ . 1 . +]"
1 101 LYS 2.608 0.144 15 0 "[ . 1 . 2]"
1 103 ASP 1.853 0.196 13 0 "[ . 1 . 2]"
1 104 PHE 27.308 0.625 9 12 "[* **. *+1 * *****-]"
1 105 SER 0.328 0.040 18 0 "[ . 1 . 2]"
1 107 GLN 13.432 0.433 14 0 "[ . 1 . 2]"
1 108 MET 11.407 0.439 14 0 "[ . 1 . 2]"
1 109 TYR 2.455 0.141 9 0 "[ . 1 . 2]"
1 110 GLU 14.648 0.565 9 2 "[ . +1 . - 2]"
1 111 THR 13.089 0.565 9 2 "[ . +1 . - 2]"
1 112 THR 9.978 0.395 1 0 "[ . 1 . 2]"
1 113 GLU 0.799 0.110 8 0 "[ . 1 . 2]"
1 114 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 CYS 0.379 0.159 11 0 "[ . 1 . 2]"
1 116 PRO 7.429 0.446 16 0 "[ . 1 . 2]"
1 117 SER 36.696 0.724 18 3 "[ . * . + *]"
1 118 ILE 25.277 1.003 18 20 [***-*************+**]
1 119 MET 40.982 1.051 6 20 [***-*+**************]
1 120 GLU 69.128 1.051 6 20 [*****+***********-**]
1 121 GLN 48.473 1.064 6 20 [*****+*************-]
1 122 PHE 42.457 1.064 6 20 [*****+***-**********]
1 123 HIS 1.017 0.190 4 0 "[ . 1 . 2]"
1 124 MET 24.267 0.456 20 0 "[ . 1 . 2]"
1 125 ARG 25.685 0.550 16 18 "[******-***** **+ ***]"
1 126 GLU 19.532 0.550 16 18 "[******-***** **+ ***]"
1 127 ILE 0.841 0.439 3 0 "[ . 1 . 2]"
1 128 HIS 11.191 0.515 8 12 "[** . *+*1 * **-***]"
1 129 SER 11.379 0.515 8 12 "[** . *+*1 * **-***]"
1 130 CYS 0.207 0.204 12 0 "[ . 1 . 2]"
1 131 LYS 27.483 0.844 20 13 "[- *** * 1*** .****+]"
1 132 VAL 24.334 0.802 14 20 [***-*********+******]
1 133 LEU 12.238 1.130 5 14 "[* **+** *- * **** *]"
1 134 GLU 6.868 0.942 12 1 "[ . 1 + . 2]"
1 136 VAL 8.997 0.547 20 1 "[ . 1 . +]"
1 137 TRP 6.803 0.322 12 0 "[ . 1 . 2]"
1 138 ILE 13.388 0.469 19 0 "[ . 1 . 2]"
1 139 PHE 3.892 0.497 19 0 "[ . 1 . 2]"
1 140 TYR 2.457 0.840 7 2 "[ .-+ 1 . 2]"
1 141 GLU 11.910 0.452 18 0 "[ . 1 . 2]"
1 142 LEU 26.214 0.920 19 20 [***************-**+*]
1 143 PRO 18.898 0.539 6 1 "[ .+ 1 . 2]"
1 144 ASN 12.349 0.561 14 2 "[ * . 1 +. 2]"
1 145 TYR 2.380 0.218 16 0 "[ . 1 . 2]"
1 146 ARG 18.055 0.561 14 3 "[ * . 1 +.* 2]"
1 148 ARG 13.276 0.615 11 3 "[ * . 1+ . -2]"
1 149 GLN 4.900 0.469 19 0 "[ . 1 . 2]"
1 150 TYR 7.792 0.497 19 0 "[ . 1 . 2]"
1 151 LEU 35.397 0.896 20 20 [*********-*********+]
1 152 LEU 19.198 0.455 10 0 "[ . 1 . 2]"
1 153 ASP 4.675 0.361 14 0 "[ . 1 . 2]"
1 154 LYS 39.120 1.312 4 19 "[***+****** *****-***]"
1 155 LYS 32.210 1.312 4 19 "[***+****** *****-***]"
1 156 GLU 27.942 0.704 13 20 [************+******-]
1 157 TYR 2.767 0.565 13 1 "[ . 1 + . 2]"
1 158 ARG 35.734 0.875 17 6 "[ *- . 1 . +***]"
1 159 LYS 39.148 0.875 17 5 "[ - . 1 . +***]"
1 160 PRO 37.217 1.037 11 20 [**********+*******-*]
1 161 ILE 60.951 1.037 11 20 [**********+*******-*]
1 162 ASP 36.485 0.945 2 20 [*+**********-*******]
1 163 TRP 18.012 0.945 2 20 [*+****-*************]
1 165 ALA 0.752 0.140 16 0 "[ . 1 . 2]"
1 166 ALA 0.034 0.022 3 0 "[ . 1 . 2]"
1 167 SER 15.139 0.443 7 0 "[ . 1 . 2]"
1 168 PRO 10.965 0.443 7 0 "[ . 1 . 2]"
1 169 ALA 5.905 0.292 7 0 "[ . 1 . 2]"
1 170 VAL 6.748 0.387 2 0 "[ . 1 . 2]"
1 171 GLN 29.179 0.840 7 17 "[**-***+* ******** *2]"
1 172 SER 10.815 0.536 13 14 "[**-** * ***+** * *2]"
1 173 PHE 6.575 0.282 6 0 "[ . 1 . 2]"
1 174 ARG 5.716 0.562 13 2 "[ . 1 +-. 2]"
1 175 ARG 5.614 0.831 20 2 "[ . 1 - . +]"
1 176 ILE 24.052 0.641 2 9 "[ + - ** ** ** *]"
1 177 VAL 0.739 0.167 15 0 "[ . 1 . 2]"
1 178 GLU 0.363 0.131 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 PHE HA 1 11 TYR H . . 2.500 2.156 2.147 2.167 . 0 0 "[ . 1 . 2]" 1
2 1 9 THR HA 1 10 PHE H . . 2.500 2.209 2.156 2.286 . 0 0 "[ . 1 . 2]" 1
3 1 8 ILE HA 1 9 THR H . . 2.500 2.281 2.250 2.311 . 0 0 "[ . 1 . 2]" 1
4 1 7 LYS HA 1 8 ILE H . . 2.500 2.187 2.177 2.195 . 0 0 "[ . 1 . 2]" 1
5 1 6 THR HA 1 7 LYS HA . . 2.500 4.403 4.399 4.410 1.910 7 20 [**-***+*************] 1
6 1 22 ASP HA 1 23 CYS H . . 2.500 2.172 2.160 2.178 . 0 0 "[ . 1 . 2]" 1
7 1 21 TYR HA 1 22 ASP H . . 2.500 2.143 2.140 2.145 . 0 0 "[ . 1 . 2]" 1
8 1 20 ARG HA 1 21 TYR H . . 2.500 2.155 2.146 2.160 . 0 0 "[ . 1 . 2]" 1
9 1 19 ARG HA 1 20 ARG H . . 3.000 2.344 2.323 2.363 . 0 0 "[ . 1 . 2]" 1
10 1 18 GLY HA2 1 19 ARG H . . 3.000 2.929 2.880 2.958 . 0 0 "[ . 1 . 2]" 1
11 1 49 VAL HA 1 50 TYR H . . 2.500 2.173 2.145 2.240 . 0 0 "[ . 1 . 2]" 1
12 1 48 ALA HA 1 49 VAL H . . 2.500 2.153 2.144 2.164 . 0 0 "[ . 1 . 2]" 1
13 1 47 TRP HA 1 48 ALA H . . 2.500 2.159 2.154 2.163 . 0 0 "[ . 1 . 2]" 1
14 1 46 THR HA 1 47 TRP H . . 2.500 2.458 2.361 2.501 0.001 20 0 "[ . 1 . 2]" 1
15 1 63 PRO HA 1 64 GLN H . . 3.000 2.640 2.575 2.709 . 0 0 "[ . 1 . 2]" 1
16 1 42 VAL HA 1 43 GLU H . . 3.000 2.142 2.141 2.144 . 0 0 "[ . 1 . 2]" 1
17 1 61 ILE HA 1 62 LEU H . . 2.500 2.141 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
18 1 60 TYR HA 1 61 ILE H . . 2.500 2.184 2.139 2.319 . 0 0 "[ . 1 . 2]" 1
19 1 59 MET HA 1 60 TYR H . . 2.500 2.261 2.163 2.358 . 0 0 "[ . 1 . 2]" 1
20 1 42 VAL H 1 43 GLU H . . 3.000 4.326 4.285 4.354 1.354 5 20 [****+**********-****] 1
21 1 70 TYR HA 1 71 GLN H . . 2.500 3.443 3.276 3.539 1.039 4 20 [***+*********-******] 1
22 1 71 GLN HA 1 72 ARG H . . 2.500 3.399 3.353 3.438 0.938 9 20 [********+*-*********] 1
23 1 72 ARG HA 1 73 TRP H . . 2.500 3.396 3.307 3.547 1.047 11 20 [**********+**-******] 1
24 1 41 LYS HA 1 42 VAL H . . 2.500 2.142 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
25 1 40 ILE HA 1 41 LYS H . . 2.500 2.273 2.253 2.290 . 0 0 "[ . 1 . 2]" 1
26 1 39 SER HA 1 40 ILE H . . 2.500 2.154 2.142 2.176 . 0 0 "[ . 1 . 2]" 1
27 1 90 SER HA 1 91 GLY H . . 3.000 2.565 2.142 2.701 . 0 0 "[ . 1 . 2]" 1
28 1 89 PRO HA 1 90 SER H . . 3.000 2.357 2.180 3.525 0.525 20 1 "[ . 1 . +]" 1
29 1 87 HIS HA 1 88 LEU H . . 3.000 2.152 2.139 2.165 . 0 0 "[ . 1 . 2]" 1
30 1 112 THR HA 1 113 GLU H . . 3.000 2.843 2.713 3.021 0.021 19 0 "[ . 1 . 2]" 1
31 1 111 THR HA 1 112 THR H . . 3.000 2.213 2.153 2.326 . 0 0 "[ . 1 . 2]" 1
32 1 110 GLU HA 1 111 THR H . . 2.500 2.172 2.141 2.255 . 0 0 "[ . 1 . 2]" 1
33 1 109 TYR HA 1 110 GLU H . . 2.500 2.187 2.177 2.215 . 0 0 "[ . 1 . 2]" 1
34 1 108 MET HA 1 109 TYR H . . 2.500 2.212 2.165 2.372 . 0 0 "[ . 1 . 2]" 1
35 1 107 GLN HA 1 108 MET H . . 2.500 2.166 2.140 2.255 . 0 0 "[ . 1 . 2]" 1
36 1 83 CYS HA 1 84 ARG H . . 2.500 2.190 2.163 2.250 . 0 0 "[ . 1 . 2]" 1
37 1 82 SER HA 1 83 CYS H . . 2.500 2.170 2.142 2.203 . 0 0 "[ . 1 . 2]" 1
38 1 85 ALA HA 1 86 VAL H . . 2.500 2.155 2.144 2.166 . 0 0 "[ . 1 . 2]" 1
39 1 84 ARG HA 1 85 ALA H . . 2.500 2.251 2.154 2.417 . 0 0 "[ . 1 . 2]" 1
40 1 81 SER HA 1 82 SER H . . 3.000 3.268 3.182 3.378 0.378 9 0 "[ . 1 . 2]" 1
41 1 80 LEU HA 1 81 SER H . . 3.000 2.166 2.146 2.180 . 0 0 "[ . 1 . 2]" 1
42 1 99 PHE HA 1 100 GLU H . . 3.000 2.225 2.171 2.321 . 0 0 "[ . 1 . 2]" 1
43 1 98 ILE HA 1 99 PHE H . . 2.500 2.184 2.159 2.262 . 0 0 "[ . 1 . 2]" 1
44 1 97 GLN HA 1 98 ILE H . . 2.500 2.158 2.141 2.201 . 0 0 "[ . 1 . 2]" 1
45 1 96 ILE HA 1 97 GLN H . . 2.500 2.194 2.173 2.231 . 0 0 "[ . 1 . 2]" 1
46 1 95 LYS HA 1 96 ILE H . . 2.500 2.155 2.148 2.168 . 0 0 "[ . 1 . 2]" 1
47 1 94 TYR HA 1 95 LYS H . . 3.000 2.170 2.144 2.189 . 0 0 "[ . 1 . 2]" 1
48 1 130 CYS HA 1 131 LYS H . . 3.500 2.139 2.137 2.144 . 0 0 "[ . 1 . 2]" 1
49 1 129 SER HA 1 130 CYS H . . 3.500 2.242 2.185 2.318 . 0 0 "[ . 1 . 2]" 1
50 1 128 HIS HA 1 129 SER H . . 3.000 3.499 3.462 3.515 0.515 8 12 "[** . *+*1 * **-***]" 1
51 1 127 ILE HA 1 128 HIS H . . 3.000 2.209 2.169 2.273 . 0 0 "[ . 1 . 2]" 1
52 1 126 GLU HA 1 127 ILE H . . 3.000 2.160 2.138 2.193 . 0 0 "[ . 1 . 2]" 1
53 1 125 ARG HA 1 126 GLU H . . 3.000 3.520 3.466 3.550 0.550 16 18 "[******-***** **+ ***]" 1
54 1 124 MET HA 1 125 ARG H . . 3.000 2.266 2.141 2.391 . 0 0 "[ . 1 . 2]" 1
55 1 118 ILE HA 1 119 MET H . . 2.500 3.486 3.469 3.503 1.003 18 20 [***-*************+**] 1
56 1 119 MET HA 1 120 GLU H . . 2.500 3.542 3.526 3.551 1.051 6 20 [*****+***-**********] 1
57 1 120 GLU HA 1 121 GLN H . . 2.500 3.374 3.362 3.391 0.891 18 20 [*****************+*-] 1
58 1 121 GLN HA 1 122 PHE H . . 2.500 3.557 3.535 3.564 1.064 6 20 [*****+***-**********] 1
59 1 161 ILE HA 1 162 ASP H . . 2.500 3.313 3.192 3.419 0.919 12 20 [***********+**-*****] 1
60 1 160 PRO HA 1 161 ILE H . . 2.500 3.501 3.476 3.537 1.037 11 20 [**********+*-*******] 1
61 1 162 ASP HA 1 163 TRP H . . 2.500 3.395 3.366 3.445 0.945 2 20 [*+****-*************] 1
62 1 152 LEU HA 1 153 ASP H . . 3.000 2.186 2.160 2.291 . 0 0 "[ . 1 . 2]" 1
63 1 151 LEU HA 1 152 LEU H . . 3.000 2.161 2.140 2.206 . 0 0 "[ . 1 . 2]" 1
64 1 150 TYR HA 1 151 LEU H . . 2.500 2.168 2.138 2.348 . 0 0 "[ . 1 . 2]" 1
65 1 149 GLN HA 1 150 TYR H . . 2.500 2.314 2.178 2.402 . 0 0 "[ . 1 . 2]" 1
66 1 139 PHE HA 1 140 TYR H . . 2.500 2.340 2.192 2.590 0.090 19 0 "[ . 1 . 2]" 1
67 1 138 ILE HA 1 139 PHE H . . 2.500 2.173 2.154 2.191 . 0 0 "[ . 1 . 2]" 1
68 1 137 TRP HA 1 138 ILE H . . 2.500 2.306 2.192 2.460 . 0 0 "[ . 1 . 2]" 1
69 1 136 VAL HA 1 137 TRP H . . 3.000 2.227 2.151 2.309 . 0 0 "[ . 1 . 2]" 1
70 1 174 ARG HA 1 175 ARG H . . 2.500 2.286 2.159 2.475 . 0 0 "[ . 1 . 2]" 1
71 1 173 PHE HA 1 174 ARG H . . 2.500 2.436 2.169 2.549 0.049 12 0 "[ . 1 . 2]" 1
72 1 172 SER HA 1 173 PHE H . . 2.500 2.505 2.207 2.611 0.111 13 0 "[ . 1 . 2]" 1
73 1 171 GLN HA 1 172 SER H . . 3.000 3.487 3.136 3.536 0.536 13 14 "[**-** * ***+** * *2]" 1
74 1 170 VAL HA 1 171 GLN H . . 3.000 2.403 2.323 2.532 . 0 0 "[ . 1 . 2]" 1
75 1 10 PHE H 1 11 TYR H . . 4.650 4.321 4.244 4.410 . 0 0 "[ . 1 . 2]" 1
76 1 9 THR H 1 10 PHE H . . 4.650 4.376 4.286 4.438 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE H 1 9 THR H . . 4.650 4.412 4.394 4.427 . 0 0 "[ . 1 . 2]" 1
78 1 7 LYS H 1 8 ILE H . . 4.650 4.403 4.380 4.421 . 0 0 "[ . 1 . 2]" 1
79 1 6 THR H 1 7 LYS H . . 4.650 4.559 4.548 4.576 . 0 0 "[ . 1 . 2]" 1
80 1 22 ASP H 1 23 CYS H . . 4.650 4.403 4.375 4.428 . 0 0 "[ . 1 . 2]" 1
81 1 21 TYR H 1 22 ASP H . . 4.650 4.304 4.284 4.315 . 0 0 "[ . 1 . 2]" 1
82 1 20 ARG H 1 21 TYR H . . 4.650 4.529 4.505 4.544 . 0 0 "[ . 1 . 2]" 1
83 1 19 ARG H 1 20 ARG H . . 4.650 3.981 3.948 4.028 . 0 0 "[ . 1 . 2]" 1
84 1 18 GLY H 1 19 ARG H . . 4.650 4.584 4.580 4.587 . 0 0 "[ . 1 . 2]" 1
85 1 49 VAL H 1 50 TYR H . . 4.650 4.365 4.269 4.447 . 0 0 "[ . 1 . 2]" 1
86 1 48 ALA H 1 49 VAL H . . 4.650 4.441 4.250 4.507 . 0 0 "[ . 1 . 2]" 1
87 1 47 TRP H 1 48 ALA H . . 4.650 4.240 4.204 4.303 . 0 0 "[ . 1 . 2]" 1
88 1 46 THR H 1 47 TRP H . . 4.650 4.587 4.566 4.602 . 0 0 "[ . 1 . 2]" 1
89 1 61 ILE H 1 62 LEU H . . 4.650 4.379 4.296 4.450 . 0 0 "[ . 1 . 2]" 1
90 1 41 LYS H 1 42 VAL H . . 4.650 4.118 4.077 4.161 . 0 0 "[ . 1 . 2]" 1
91 1 40 ILE H 1 41 LYS H . . 4.650 4.466 4.437 4.496 . 0 0 "[ . 1 . 2]" 1
92 1 90 SER H 1 91 GLY H . . 4.650 4.470 4.389 4.541 . 0 0 "[ . 1 . 2]" 1
93 1 87 HIS H 1 88 LEU H . . 4.650 4.225 4.135 4.390 . 0 0 "[ . 1 . 2]" 1
94 1 112 THR H 1 113 GLU H . . 4.650 2.769 2.390 2.935 . 0 0 "[ . 1 . 2]" 1
95 1 111 THR H 1 112 THR H . . 4.650 4.451 4.385 4.496 . 0 0 "[ . 1 . 2]" 1
96 1 110 GLU H 1 111 THR H . . 4.650 4.102 3.886 4.226 . 0 0 "[ . 1 . 2]" 1
97 1 109 TYR H 1 110 GLU H . . 4.650 4.292 4.219 4.349 . 0 0 "[ . 1 . 2]" 1
98 1 108 MET H 1 109 TYR H . . 4.650 4.449 4.318 4.537 . 0 0 "[ . 1 . 2]" 1
99 1 107 GLN H 1 108 MET H . . 4.650 4.492 4.380 4.550 . 0 0 "[ . 1 . 2]" 1
100 1 83 CYS H 1 84 ARG H . . 4.650 4.386 4.298 4.487 . 0 0 "[ . 1 . 2]" 1
101 1 82 SER H 1 83 CYS H . . 4.650 4.338 4.244 4.527 . 0 0 "[ . 1 . 2]" 1
102 1 81 SER H 1 82 SER H . . 4.650 3.712 3.467 3.863 . 0 0 "[ . 1 . 2]" 1
103 1 80 LEU H 1 81 SER H . . 4.650 4.537 4.494 4.567 . 0 0 "[ . 1 . 2]" 1
104 1 99 PHE H 1 100 GLU H . . 4.650 4.423 4.324 4.487 . 0 0 "[ . 1 . 2]" 1
105 1 98 ILE H 1 99 PHE H . . 4.650 4.469 4.389 4.572 . 0 0 "[ . 1 . 2]" 1
106 1 97 GLN H 1 98 ILE H . . 4.650 4.404 4.203 4.481 . 0 0 "[ . 1 . 2]" 1
107 1 96 ILE H 1 97 GLN H . . 4.650 4.269 4.220 4.324 . 0 0 "[ . 1 . 2]" 1
108 1 95 LYS H 1 96 ILE H . . 4.650 4.416 4.351 4.521 . 0 0 "[ . 1 . 2]" 1
109 1 94 TYR H 1 95 LYS H . . 4.650 4.104 3.976 4.283 . 0 0 "[ . 1 . 2]" 1
110 1 128 HIS H 1 129 SER H . . 4.650 2.565 2.477 2.670 . 0 0 "[ . 1 . 2]" 1
111 1 127 ILE H 1 128 HIS H . . 4.650 4.168 4.025 4.268 . 0 0 "[ . 1 . 2]" 1
112 1 126 GLU H 1 127 ILE H . . 4.650 4.215 4.036 4.299 . 0 0 "[ . 1 . 2]" 1
113 1 125 ARG H 1 126 GLU H . . 4.650 2.656 2.070 2.879 . 0 0 "[ . 1 . 2]" 1
114 1 124 MET H 1 125 ARG H . . 4.650 4.029 3.654 4.556 . 0 0 "[ . 1 . 2]" 1
115 1 152 LEU H 1 153 ASP H . . 4.650 4.588 4.564 4.623 . 0 0 "[ . 1 . 2]" 1
116 1 151 LEU H 1 152 LEU H . . 4.650 4.525 4.456 4.595 . 0 0 "[ . 1 . 2]" 1
117 1 150 TYR H 1 151 LEU H . . 4.650 4.233 3.781 4.478 . 0 0 "[ . 1 . 2]" 1
118 1 149 GLN H 1 150 TYR H . . 4.650 4.586 4.509 4.618 . 0 0 "[ . 1 . 2]" 1
119 1 139 PHE H 1 140 TYR H . . 4.650 4.508 4.432 4.558 . 0 0 "[ . 1 . 2]" 1
120 1 138 ILE H 1 139 PHE H . . 4.650 4.377 4.295 4.436 . 0 0 "[ . 1 . 2]" 1
121 1 137 TRP H 1 138 ILE H . . 4.650 4.374 4.296 4.427 . 0 0 "[ . 1 . 2]" 1
122 1 136 VAL H 1 137 TRP H . . 4.650 4.343 4.165 4.540 . 0 0 "[ . 1 . 2]" 1
123 1 174 ARG H 1 175 ARG H . . 4.650 4.386 4.228 4.452 . 0 0 "[ . 1 . 2]" 1
124 1 173 PHE H 1 174 ARG H . . 4.650 4.393 4.204 4.426 . 0 0 "[ . 1 . 2]" 1
125 1 172 SER H 1 173 PHE H . . 4.650 4.471 4.407 4.636 . 0 0 "[ . 1 . 2]" 1
126 1 171 GLN H 1 172 SER H . . 4.650 3.013 2.820 3.903 . 0 0 "[ . 1 . 2]" 1
127 1 170 VAL H 1 171 GLN H . . 4.650 4.386 4.362 4.395 . 0 0 "[ . 1 . 2]" 1
128 1 61 ILE MD 1 151 LEU CD2 . . 5.800 4.210 2.588 4.674 . 0 0 "[ . 1 . 2]" 1
129 1 61 ILE MD 1 151 LEU CD1 . . 4.050 3.563 2.883 3.923 . 0 0 "[ . 1 . 2]" 1
130 1 61 ILE HG12 1 151 LEU CD1 . . 4.330 3.166 2.812 3.449 . 0 0 "[ . 1 . 2]" 1
131 1 76 LEU CD2 1 148 ARG HG2 . . 4.990 4.441 3.283 5.214 0.224 4 0 "[ . 1 . 2]" 1
132 1 76 LEU MD2 1 148 ARG HB3 . . 6.500 3.968 3.252 5.233 . 0 0 "[ . 1 . 2]" 1
133 1 58 TYR QB 1 148 ARG HB3 . . 3.250 3.652 3.496 3.865 0.615 11 3 "[ - . 1+ . *2]" 1
134 1 58 TYR QB 1 148 ARG HG2 . . 3.140 3.302 3.103 3.650 0.510 19 1 "[ . 1 . +2]" 1
135 1 61 ILE CG2 1 151 LEU MD1 . . 6.360 4.154 3.878 4.498 . 0 0 "[ . 1 . 2]" 1
136 1 61 ILE MG 1 151 LEU MD1 . . 5.900 3.311 2.983 3.741 . 0 0 "[ . 1 . 2]" 1
137 1 61 ILE MD 1 151 LEU CB . . 4.653 2.613 2.377 2.963 . 0 0 "[ . 1 . 2]" 1
138 1 50 TYR QE 1 151 LEU CD2 . . 3.293 3.796 3.623 3.994 0.701 9 9 "[ ** . *+* * .- * *]" 1
139 1 60 TYR QE 1 149 GLN QG . . 4.069 3.890 3.089 4.324 0.255 18 0 "[ . 1 . 2]" 1
140 1 61 ILE MG 1 136 VAL CG1 . . 5.009 3.616 3.144 3.952 . 0 0 "[ . 1 . 2]" 1
141 1 61 ILE MG 1 136 VAL CB . . 6.090 4.708 4.263 5.073 . 0 0 "[ . 1 . 2]" 1
142 1 61 ILE HG12 1 152 LEU CD1 . . 6.150 5.400 5.056 6.065 . 0 0 "[ . 1 . 2]" 1
143 1 61 ILE CG2 1 136 VAL MG2 . . 6.900 5.634 5.061 5.888 . 0 0 "[ . 1 . 2]" 1
144 1 89 PRO HB2 1 134 GLU CB . . 3.798 3.139 2.665 3.476 . 0 0 "[ . 1 . 2]" 1
145 1 89 PRO CB 1 134 GLU QB . . 3.448 2.617 2.460 2.790 . 0 0 "[ . 1 . 2]" 1
146 1 89 PRO HG3 1 134 GLU QB . . 3.809 3.557 2.965 3.814 0.005 7 0 "[ . 1 . 2]" 1
147 1 89 PRO CG 1 134 GLU QB . . 4.074 3.638 3.222 3.818 . 0 0 "[ . 1 . 2]" 1
148 1 89 PRO HB2 1 134 GLU CG . . 4.310 3.556 2.723 4.260 . 0 0 "[ . 1 . 2]" 1
149 1 89 PRO HB2 1 134 GLU QG . . 4.079 3.014 1.966 3.836 . 0 0 "[ . 1 . 2]" 1
150 1 89 PRO CB 1 134 GLU QG . . 4.990 3.799 2.903 4.358 . 0 0 "[ . 1 . 2]" 1
151 1 89 PRO HB3 1 134 GLU QG . . 4.941 3.806 3.046 4.445 . 0 0 "[ . 1 . 2]" 1
152 1 89 PRO HD3 1 176 ILE CG2 . . 4.658 4.092 3.601 4.521 . 0 0 "[ . 1 . 2]" 1
153 1 89 PRO HD3 1 176 ILE MG . . 3.920 3.496 3.045 3.816 . 0 0 "[ . 1 . 2]" 1
154 1 89 PRO CD 1 176 ILE MG . . 4.651 3.829 3.355 4.208 . 0 0 "[ . 1 . 2]" 1
155 1 89 PRO HG3 1 176 ILE CG2 . . 5.419 5.161 4.636 5.442 0.023 18 0 "[ . 1 . 2]" 1
156 1 89 PRO HG3 1 176 ILE CB . . 4.397 3.886 3.394 4.254 . 0 0 "[ . 1 . 2]" 1
157 1 89 PRO CG 1 176 ILE HB . . 3.869 3.358 2.978 3.773 . 0 0 "[ . 1 . 2]" 1
158 1 89 PRO HD3 1 176 ILE CD1 . . 3.166 3.486 3.096 3.807 0.641 2 3 "[ + . 1 *. -]" 1
159 1 89 PRO HD3 1 176 ILE MD . . 3.063 2.667 2.145 3.089 0.026 2 0 "[ . 1 . 2]" 1
160 1 89 PRO HG3 1 176 ILE HG13 . . 3.500 3.856 3.548 4.103 0.603 15 6 "[ - ** + ** 2]" 1
161 1 89 PRO HG3 1 176 ILE CG1 . . 4.658 4.210 3.919 4.376 . 0 0 "[ . 1 . 2]" 1
162 1 88 LEU MD2 1 136 VAL MG2 . . 4.950 4.492 4.184 4.745 . 0 0 "[ . 1 . 2]" 1
163 1 88 LEU CB 1 136 VAL MG2 . . 5.973 4.608 3.916 5.055 . 0 0 "[ . 1 . 2]" 1
164 1 89 PRO HD3 1 136 VAL MG2 . . 3.700 3.055 2.486 3.307 . 0 0 "[ . 1 . 2]" 1
165 1 89 PRO HD3 1 136 VAL CG2 . . 3.595 3.596 3.054 3.846 0.251 17 0 "[ . 1 . 2]" 1
166 1 136 VAL HB 1 176 ILE CD1 . . 2.813 2.523 2.351 2.805 . 0 0 "[ . 1 . 2]" 1
167 1 136 VAL CG1 1 176 ILE MD . . 3.050 2.363 2.242 2.506 . 0 0 "[ . 1 . 2]" 1
168 1 136 VAL CG1 1 176 ILE HG13 . . 5.191 4.946 4.656 5.383 0.192 10 0 "[ . 1 . 2]" 1
169 1 152 LEU CD1 1 176 ILE MD . . 5.316 4.472 4.281 4.722 . 0 0 "[ . 1 . 2]" 1
170 1 151 LEU MD1 1 152 LEU CD1 . . 2.790 2.475 2.391 2.601 . 0 0 "[ . 1 . 2]" 1
171 1 161 ILE MG 1 166 ALA CB . . 6.220 5.391 4.990 5.718 . 0 0 "[ . 1 . 2]" 1
172 1 161 ILE HG13 1 166 ALA MB . . 5.901 5.112 4.961 5.539 . 0 0 "[ . 1 . 2]" 1
173 1 161 ILE HG13 1 167 SER CB . . 6.140 6.239 6.018 6.395 0.255 6 0 "[ . 1 . 2]" 1
174 1 160 PRO CB 1 161 ILE HG13 . . 4.012 4.346 4.133 4.454 0.442 6 0 "[ . 1 . 2]" 1
175 1 160 PRO HD2 1 161 ILE CD1 . . 3.648 3.095 3.017 3.138 . 0 0 "[ . 1 . 2]" 1
176 1 160 PRO QB 1 161 ILE HG13 . . 4.059 3.883 3.690 4.012 . 0 0 "[ . 1 . 2]" 1
177 1 160 PRO CG 1 161 ILE MD . . 3.399 2.787 2.612 3.150 . 0 0 "[ . 1 . 2]" 1
178 1 160 PRO QB 1 161 ILE CG1 . . 4.208 4.629 4.491 4.771 0.563 12 3 "[ * . 1 + . -2]" 1
179 1 116 PRO CB 1 143 PRO QB . . 5.240 4.788 4.570 5.284 0.044 18 0 "[ . 1 . 2]" 1
180 1 143 PRO QB 1 171 GLN CG . . 4.154 3.658 3.031 4.031 . 0 0 "[ . 1 . 2]" 1
181 1 143 PRO CB 1 171 GLN HG3 . . 4.166 4.266 3.637 4.518 0.352 18 0 "[ . 1 . 2]" 1
182 1 143 PRO QB 1 171 GLN QB . . 3.094 3.252 2.099 3.532 0.438 20 0 "[ . 1 . 2]" 1
183 1 143 PRO QB 1 171 GLN CB . . 4.029 3.957 2.861 4.157 0.128 14 0 "[ . 1 . 2]" 1
184 1 143 PRO HD3 1 171 GLN HG3 . . 2.225 1.842 1.694 2.649 0.424 6 0 "[ . 1 . 2]" 1
185 1 143 PRO CD 1 171 GLN HG3 . . 3.046 2.797 2.652 3.585 0.539 6 1 "[ .+ 1 . 2]" 1
186 1 143 PRO HD3 1 171 GLN QB . . 3.734 2.825 2.468 3.336 . 0 0 "[ . 1 . 2]" 1
187 1 143 PRO QB 1 172 SER QB . . 3.733 3.187 2.951 3.867 0.134 16 0 "[ . 1 . 2]" 1
188 1 143 PRO CB 1 172 SER QB . . 4.986 3.524 3.268 3.991 . 0 0 "[ . 1 . 2]" 1
189 1 143 PRO QB 1 172 SER CB . . 4.660 4.044 3.901 4.382 . 0 0 "[ . 1 . 2]" 1
190 1 103 ASP HB2 1 158 ARG HB2 . . 3.954 4.005 3.747 4.142 0.188 5 0 "[ . 1 . 2]" 1
191 1 103 ASP HB2 1 158 ARG CB . . 5.011 4.939 4.807 5.045 0.034 5 0 "[ . 1 . 2]" 1
192 1 103 ASP HB2 1 158 ARG CD . . 5.914 5.299 4.956 6.110 0.196 13 0 "[ . 1 . 2]" 1
193 1 103 ASP HB2 1 158 ARG CG . . 5.766 4.970 4.766 5.504 . 0 0 "[ . 1 . 2]" 1
194 1 103 ASP HB2 1 158 ARG HG3 . . 5.521 4.230 3.970 5.012 . 0 0 "[ . 1 . 2]" 1
195 1 103 ASP HB3 1 105 SER HB2 . . 3.833 3.703 3.408 3.844 0.011 13 0 "[ . 1 . 2]" 1
196 1 103 ASP HB3 1 105 SER CB . . 4.656 4.070 3.857 4.551 . 0 0 "[ . 1 . 2]" 1
197 1 158 ARG HG3 1 159 LYS HB3 . . 3.068 3.505 3.343 3.791 0.723 19 5 "[ - . 1 . **+*]" 1
198 1 158 ARG CG 1 159 LYS HB3 . . 4.115 4.256 4.143 4.358 0.243 14 0 "[ . 1 . 2]" 1
199 1 158 ARG HG3 1 159 LYS CB . . 3.432 3.910 3.770 4.307 0.875 17 5 "[ - . 1 . +***]" 1
200 1 158 ARG HG3 1 159 LYS HE3 . . 4.163 4.013 3.764 4.188 0.025 2 0 "[ . 1 . 2]" 1
201 1 100 GLU CB 1 107 GLN HB3 . . 3.276 3.167 2.670 3.293 0.017 12 0 "[ . 1 . 2]" 1
202 1 100 GLU HB2 1 107 GLN HB3 . . 2.344 2.311 1.978 2.399 0.055 12 0 "[ . 1 . 2]" 1
203 1 100 GLU HB3 1 107 GLN HB3 . . 3.360 3.216 2.549 3.459 0.099 12 0 "[ . 1 . 2]" 1
204 1 118 ILE CD1 1 127 ILE MD . . 2.750 2.493 2.421 2.552 . 0 0 "[ . 1 . 2]" 1
205 1 118 ILE MD 1 127 ILE CD1 . . 3.067 2.571 2.450 2.635 . 0 0 "[ . 1 . 2]" 1
206 1 118 ILE MD 1 127 ILE MD . . 2.354 1.822 1.780 1.852 . 0 0 "[ . 1 . 2]" 1
207 1 118 ILE CG1 1 127 ILE MD . . 3.544 3.215 3.081 3.307 . 0 0 "[ . 1 . 2]" 1
208 1 118 ILE HG12 1 127 ILE MD . . 3.259 2.918 2.776 3.038 . 0 0 "[ . 1 . 2]" 1
209 1 118 ILE MD 1 127 ILE CG1 . . 3.030 2.719 2.584 2.943 . 0 0 "[ . 1 . 2]" 1
210 1 118 ILE MD 1 127 ILE HG12 . . 3.050 2.642 2.488 2.821 . 0 0 "[ . 1 . 2]" 1
211 1 124 MET HB3 1 127 ILE CD1 . . 2.660 2.585 2.464 3.099 0.439 3 0 "[ . 1 . 2]" 1
212 1 124 MET HB3 1 127 ILE MD . . 2.261 2.013 1.924 2.311 0.050 3 0 "[ . 1 . 2]" 1
213 1 118 ILE MD 1 124 MET HB3 . . 4.213 3.755 3.665 3.860 . 0 0 "[ . 1 . 2]" 1
214 1 118 ILE CD1 1 124 MET HB3 . . 4.653 4.647 4.426 4.769 0.117 7 0 "[ . 1 . 2]" 1
215 1 118 ILE HG12 1 124 MET CB . . 3.746 3.732 3.116 3.878 0.132 7 0 "[ . 1 . 2]" 1
216 1 118 ILE HG12 1 124 MET HB2 . . 2.722 2.688 2.145 2.831 0.109 7 0 "[ . 1 . 2]" 1
217 1 118 ILE CG2 1 124 MET HB2 . . 3.412 3.570 3.314 3.868 0.456 20 0 "[ . 1 . 2]" 1
218 1 118 ILE MG 1 124 MET CB . . 3.246 3.169 2.834 3.350 0.104 18 0 "[ . 1 . 2]" 1
219 1 122 PHE HB3 1 124 MET HB2 . . 3.442 3.629 3.441 3.704 0.262 15 0 "[ . 1 . 2]" 1
220 1 122 PHE CB 1 124 MET HB2 . . 3.587 3.748 3.457 3.803 0.216 9 0 "[ . 1 . 2]" 1
221 1 100 GLU HG3 1 124 MET HG2 . . 3.427 3.410 3.128 3.545 0.118 20 0 "[ . 1 . 2]" 1
222 1 107 GLN HG2 1 123 HIS HB2 . . 5.353 5.315 4.845 5.543 0.190 4 0 "[ . 1 . 2]" 1
223 1 107 GLN HB3 1 124 MET HG3 . . 4.929 4.925 4.761 5.011 0.082 20 0 "[ . 1 . 2]" 1
224 1 107 GLN HB3 1 124 MET CG . . 5.243 4.901 4.695 5.072 . 0 0 "[ . 1 . 2]" 1
225 1 100 GLU HB2 1 124 MET HG2 . . 3.509 3.320 2.936 3.819 0.310 3 0 "[ . 1 . 2]" 1
226 1 99 PHE CB 1 108 MET HB2 . . 4.654 4.386 3.861 4.702 0.047 2 0 "[ . 1 . 2]" 1
227 1 99 PHE HB3 1 108 MET HB2 . . 4.963 4.480 4.221 4.818 . 0 0 "[ . 1 . 2]" 1
228 1 97 GLN CB 1 131 LYS HB2 . . 3.389 2.971 2.758 3.226 . 0 0 "[ . 1 . 2]" 1
229 1 97 GLN HB3 1 131 LYS HB2 . . 3.077 2.316 2.089 2.633 . 0 0 "[ . 1 . 2]" 1
230 1 97 GLN HB3 1 131 LYS HE3 . . 4.652 4.286 3.519 4.767 0.115 18 0 "[ . 1 . 2]" 1
231 1 97 GLN CG 1 108 MET HG3 . . 3.935 4.227 4.116 4.374 0.439 14 0 "[ . 1 . 2]" 1
232 1 97 GLN HG2 1 108 MET HG3 . . 3.391 3.498 3.315 3.616 0.225 5 0 "[ . 1 . 2]" 1
233 1 97 GLN HB2 1 131 LYS HB2 . . 2.770 2.771 2.468 2.995 0.225 20 0 "[ . 1 . 2]" 1
234 1 97 GLN CG 1 110 GLU HB3 . . 3.338 2.847 2.578 3.086 . 0 0 "[ . 1 . 2]" 1
235 1 97 GLN HG2 1 110 GLU CG . . 4.652 4.430 4.086 4.682 0.030 9 0 "[ . 1 . 2]" 1
236 1 97 GLN HG2 1 110 GLU HG2 . . 4.659 4.389 4.036 4.665 0.006 9 0 "[ . 1 . 2]" 1
237 1 97 GLN HG3 1 110 GLU CB . . 3.990 3.173 2.882 3.364 . 0 0 "[ . 1 . 2]" 1
238 1 110 GLU HG3 1 111 THR HB . . 5.179 5.602 5.482 5.744 0.565 9 2 "[ . +1 . - 2]" 1
239 1 96 ILE CG2 1 111 THR HB . . 5.830 5.845 5.554 6.129 0.299 4 0 "[ . 1 . 2]" 1
240 1 96 ILE MG 1 111 THR CG2 . . 3.554 3.021 2.603 3.262 . 0 0 "[ . 1 . 2]" 1
241 1 96 ILE MG 1 111 THR MG . . 3.474 2.260 1.939 2.419 . 0 0 "[ . 1 . 2]" 1
242 1 109 TYR CB 1 111 THR MG . . 5.914 5.159 4.767 5.381 . 0 0 "[ . 1 . 2]" 1
243 1 109 TYR HB3 1 111 THR MG . . 5.119 4.472 4.037 4.731 . 0 0 "[ . 1 . 2]" 1
244 1 111 THR CG2 1 173 PHE HZ . . 3.168 3.166 2.851 3.429 0.261 18 0 "[ . 1 . 2]" 1
245 1 111 THR MG 1 173 PHE HZ . . 3.050 2.348 2.083 2.585 . 0 0 "[ . 1 . 2]" 1
246 1 111 THR CG2 1 122 PHE HZ . . 3.078 2.986 2.720 3.207 0.129 7 0 "[ . 1 . 2]" 1
247 1 111 THR MG 1 122 PHE HZ . . 2.313 2.325 2.032 2.518 0.205 7 0 "[ . 1 . 2]" 1
248 1 96 ILE MD 1 111 THR CG2 . . 5.617 4.949 4.020 5.431 . 0 0 "[ . 1 . 2]" 1
249 1 99 PHE CB 1 129 SER QB . . 3.525 2.355 2.182 3.759 0.234 13 0 "[ . 1 . 2]" 1
250 1 99 PHE HB3 1 129 SER QB . . 3.534 2.406 2.092 3.558 0.024 13 0 "[ . 1 . 2]" 1
251 1 99 PHE HB2 1 129 SER QB . . 2.626 1.756 1.615 3.068 0.442 13 0 "[ . 1 . 2]" 1
252 1 99 PHE HZ 1 131 LYS HE2 . . 2.625 2.459 1.954 2.741 0.116 12 0 "[ . 1 . 2]" 1
253 1 99 PHE HZ 1 131 LYS CE . . 3.415 3.060 2.565 3.473 0.058 12 0 "[ . 1 . 2]" 1
254 1 99 PHE HZ 1 131 LYS CG . . 5.097 4.335 3.941 4.599 . 0 0 "[ . 1 . 2]" 1
255 1 99 PHE HZ 1 131 LYS HG3 . . 4.655 4.801 4.367 5.156 0.502 4 2 "[- +. 1 . 2]" 1
256 1 104 PHE HZ 1 131 LYS HG3 . . 4.320 3.776 2.952 4.668 0.348 3 0 "[ . 1 . 2]" 1
257 1 99 PHE HE2 1 104 PHE CB . . 4.749 3.905 3.195 4.909 0.160 6 0 "[ . 1 . 2]" 1
258 1 99 PHE HE2 1 104 PHE HB3 . . 3.958 3.169 2.181 4.239 0.281 6 0 "[ . 1 . 2]" 1
259 1 95 LYS HB3 1 132 VAL CG1 . . 3.086 2.956 2.590 3.220 0.134 20 0 "[ . 1 . 2]" 1
260 1 95 LYS HB2 1 132 VAL MG1 . . 4.191 3.554 3.287 3.755 . 0 0 "[ . 1 . 2]" 1
261 1 95 LYS HG2 1 132 VAL MG1 . . 2.353 2.626 2.481 2.829 0.476 1 0 "[ . 1 . 2]" 1
262 1 95 LYS CG 1 132 VAL MG1 . . 2.752 2.530 2.443 2.656 . 0 0 "[ . 1 . 2]" 1
263 1 97 GLN HG3 1 132 VAL MG2 . . 2.359 2.521 2.404 2.671 0.313 5 0 "[ . 1 . 2]" 1
264 1 97 GLN HB2 1 132 VAL CG2 . . 3.079 2.738 2.536 2.961 . 0 0 "[ . 1 . 2]" 1
265 1 97 GLN HB2 1 132 VAL MG2 . . 2.507 1.898 1.848 1.965 . 0 0 "[ . 1 . 2]" 1
266 1 131 LYS CG 1 156 GLU HG3 . . 3.544 3.755 3.584 3.868 0.324 15 0 "[ . 1 . 2]" 1
267 1 131 LYS HG2 1 156 GLU HG2 . . 2.355 2.071 1.863 2.585 0.230 13 0 "[ . 1 . 2]" 1
268 1 131 LYS HD2 1 156 GLU CG . . 3.848 3.721 3.367 4.246 0.398 13 0 "[ . 1 . 2]" 1
269 1 104 PHE HD1 1 131 LYS HD3 . . 3.095 3.014 1.929 3.654 0.559 19 4 "[ . 1 . **+-]" 1
270 1 104 PHE HZ 1 156 GLU HG2 . . 2.313 2.697 2.485 2.938 0.625 9 8 "[* **. -+1 * ** 2]" 1
271 1 109 TYR CB 1 122 PHE HE1 . . 3.457 3.402 3.079 3.524 0.067 6 0 "[ . 1 . 2]" 1
272 1 109 TYR HB3 1 122 PHE HE1 . . 2.603 2.454 2.098 2.666 0.063 4 0 "[ . 1 . 2]" 1
273 1 109 TYR HD2 1 122 PHE HB3 . . 2.344 2.437 2.359 2.485 0.141 9 0 "[ . 1 . 2]" 1
274 1 122 PHE CB 1 124 MET HG3 . . 3.168 3.293 3.232 3.491 0.323 8 0 "[ . 1 . 2]" 1
275 1 122 PHE HB3 1 124 MET HG3 . . 2.388 2.580 2.416 2.818 0.430 8 0 "[ . 1 . 2]" 1
276 1 122 PHE HB2 1 124 MET HB2 . . 2.816 2.923 2.612 3.089 0.273 7 0 "[ . 1 . 2]" 1
277 1 95 LYS HE3 1 110 GLU CB . . 3.210 3.431 3.384 3.480 0.270 11 0 "[ . 1 . 2]" 1
278 1 95 LYS HE3 1 110 GLU HB2 . . 2.279 2.357 2.315 2.409 0.130 11 0 "[ . 1 . 2]" 1
279 1 95 LYS HE3 1 110 GLU CG . . 4.205 4.153 3.934 4.252 0.047 8 0 "[ . 1 . 2]" 1
280 1 95 LYS CE 1 112 THR MG . . 4.802 4.100 3.948 4.246 . 0 0 "[ . 1 . 2]" 1
281 1 95 LYS HE2 1 112 THR MG . . 4.994 4.762 3.557 4.875 . 0 0 "[ . 1 . 2]" 1
282 1 95 LYS CE 1 112 THR HB . . 4.210 3.600 3.313 3.930 . 0 0 "[ . 1 . 2]" 1
283 1 95 LYS HD3 1 112 THR HB . . 2.343 2.359 2.097 2.428 0.085 16 0 "[ . 1 . 2]" 1
284 1 95 LYS HD3 1 112 THR CB . . 3.373 3.380 3.144 3.459 0.086 2 0 "[ . 1 . 2]" 1
285 1 95 LYS HE3 1 112 THR CG2 . . 5.652 5.502 4.991 5.815 0.163 12 0 "[ . 1 . 2]" 1
286 1 95 LYS CD 1 112 THR HB . . 3.281 2.673 2.531 2.847 . 0 0 "[ . 1 . 2]" 1
287 1 95 LYS HD2 1 112 THR CB . . 3.361 3.106 2.684 3.404 0.043 1 0 "[ . 1 . 2]" 1
288 1 95 LYS CB 1 112 THR HB . . 4.078 3.920 3.498 4.069 . 0 0 "[ . 1 . 2]" 1
289 1 95 LYS HB2 1 112 THR HB . . 3.550 3.734 3.466 3.840 0.290 6 0 "[ . 1 . 2]" 1
290 1 95 LYS CG 1 112 THR HB . . 4.316 3.856 3.599 3.985 . 0 0 "[ . 1 . 2]" 1
291 1 95 LYS HG2 1 112 THR HB . . 4.953 4.569 4.387 4.708 . 0 0 "[ . 1 . 2]" 1
292 1 95 LYS HD3 1 112 THR MG . . 3.819 3.440 3.023 3.747 . 0 0 "[ . 1 . 2]" 1
293 1 93 GLN CG 1 95 LYS HB2 . . 4.659 4.844 4.361 5.319 0.661 20 1 "[ . 1 . +]" 1
294 1 93 GLN HG3 1 95 LYS CB . . 4.653 4.755 4.327 5.033 0.380 20 0 "[ . 1 . 2]" 1
295 1 94 TYR QB 1 175 ARG CB . . 5.007 3.295 2.443 4.197 . 0 0 "[ . 1 . 2]" 1
296 1 94 TYR QB 1 175 ARG HB2 . . 4.210 2.690 1.802 3.821 . 0 0 "[ . 1 . 2]" 1
297 1 94 TYR CB 1 175 ARG HB3 . . 4.658 3.679 2.897 4.308 . 0 0 "[ . 1 . 2]" 1
298 1 94 TYR QB 1 175 ARG HB3 . . 4.805 3.084 2.270 3.796 . 0 0 "[ . 1 . 2]" 1
299 1 94 TYR QB 1 175 ARG HD2 . . 4.379 3.894 2.740 4.305 . 0 0 "[ . 1 . 2]" 1
300 1 94 TYR CB 1 175 ARG HD2 . . 4.754 4.599 3.709 4.957 0.203 7 0 "[ . 1 . 2]" 1
301 1 94 TYR QB 1 175 ARG HD3 . . 4.980 4.026 2.969 4.551 . 0 0 "[ . 1 . 2]" 1
302 1 94 TYR HD1 1 175 ARG HB2 . . 3.368 3.349 2.814 4.199 0.831 20 2 "[ . 1 - . +]" 1
303 1 94 TYR HD1 1 175 ARG CB . . 4.230 4.178 3.489 4.577 0.347 12 0 "[ . 1 . 2]" 1
304 1 86 VAL MG1 1 136 VAL CG2 . . 3.126 2.410 2.296 2.557 . 0 0 "[ . 1 . 2]" 1
305 1 86 VAL CG1 1 136 VAL MG2 . . 2.746 2.485 2.331 2.647 . 0 0 "[ . 1 . 2]" 1
306 1 86 VAL MG1 1 136 VAL CB . . 3.945 2.790 2.636 2.996 . 0 0 "[ . 1 . 2]" 1
307 1 86 VAL MG1 1 136 VAL CG1 . . 3.096 2.366 2.235 2.610 . 0 0 "[ . 1 . 2]" 1
308 1 86 VAL MG2 1 136 VAL MG1 . . 5.048 2.658 2.208 3.029 . 0 0 "[ . 1 . 2]" 1
309 1 86 VAL CG2 1 136 VAL MG1 . . 4.989 3.424 2.921 3.735 . 0 0 "[ . 1 . 2]" 1
310 1 46 THR CG2 1 86 VAL HB . . 3.554 3.484 3.260 3.736 0.182 2 0 "[ . 1 . 2]" 1
311 1 46 THR MG 1 86 VAL CB . . 3.551 3.544 3.419 3.666 0.115 16 0 "[ . 1 . 2]" 1
312 1 46 THR MG 1 86 VAL CG1 . . 3.892 3.470 3.328 3.589 . 0 0 "[ . 1 . 2]" 1
313 1 46 THR HB 1 86 VAL CG1 . . 4.652 2.599 2.455 2.954 . 0 0 "[ . 1 . 2]" 1
314 1 87 HIS CB 1 136 VAL MG2 . . 5.256 3.871 3.720 4.064 . 0 0 "[ . 1 . 2]" 1
315 1 87 HIS HB2 1 136 VAL MG2 . . 4.927 3.487 3.316 3.687 . 0 0 "[ . 1 . 2]" 1
316 1 151 LEU HG 1 153 ASP HB2 . . 3.804 3.201 3.020 3.382 . 0 0 "[ . 1 . 2]" 1
317 1 151 LEU HG 1 153 ASP CB . . 4.725 4.201 4.033 4.373 . 0 0 "[ . 1 . 2]" 1
318 1 151 LEU CD2 1 153 ASP HB2 . . 4.746 4.746 4.475 4.964 0.218 17 0 "[ . 1 . 2]" 1
319 1 151 LEU MD2 1 153 ASP HB2 . . 4.654 3.911 3.551 4.146 . 0 0 "[ . 1 . 2]" 1
320 1 151 LEU MD1 1 152 LEU MD1 . . 3.111 1.797 1.743 1.925 . 0 0 "[ . 1 . 2]" 1
321 1 151 LEU CD1 1 152 LEU MD1 . . 3.212 2.437 2.337 2.723 . 0 0 "[ . 1 . 2]" 1
322 1 151 LEU HG 1 152 LEU MD2 . . 4.651 4.435 4.340 4.608 . 0 0 "[ . 1 . 2]" 1
323 1 151 LEU CG 1 152 LEU MD2 . . 5.384 5.083 5.022 5.248 . 0 0 "[ . 1 . 2]" 1
324 1 136 VAL MG1 1 151 LEU CD1 . . 4.221 3.139 2.410 3.609 . 0 0 "[ . 1 . 2]" 1
325 1 136 VAL MG1 1 151 LEU MD1 . . 3.873 2.435 1.814 2.826 . 0 0 "[ . 1 . 2]" 1
326 1 136 VAL HB 1 176 ILE MD . . 2.506 1.839 1.738 2.036 . 0 0 "[ . 1 . 2]" 1
327 1 136 VAL CG1 1 152 LEU MD1 . . 2.878 2.503 2.261 3.229 0.351 10 0 "[ . 1 . 2]" 1
328 1 136 VAL MG1 1 152 LEU MD1 . . 2.547 1.883 1.744 2.450 . 0 0 "[ . 1 . 2]" 1
329 1 137 TRP QB 1 152 LEU HG . . 2.354 2.481 1.823 2.677 0.322 12 0 "[ . 1 . 2]" 1
330 1 137 TRP CB 1 152 LEU HG . . 3.007 3.139 2.615 3.282 0.275 2 0 "[ . 1 . 2]" 1
331 1 137 TRP QB 1 152 LEU MD2 . . 4.263 3.347 3.051 3.430 . 0 0 "[ . 1 . 2]" 1
332 1 137 TRP QB 1 152 LEU CB . . 3.684 2.273 2.134 2.454 . 0 0 "[ . 1 . 2]" 1
333 1 137 TRP QB 1 152 LEU HB3 . . 3.085 1.749 1.579 1.893 . 0 0 "[ . 1 . 2]" 1
334 1 137 TRP QB 1 152 LEU HB2 . . 4.863 2.085 1.818 2.881 . 0 0 "[ . 1 . 2]" 1
335 1 151 LEU HG 1 152 LEU CD2 . . 5.083 5.337 5.158 5.538 0.455 10 0 "[ . 1 . 2]" 1
336 1 88 LEU HB2 1 90 SER HB2 . . 5.366 4.707 3.750 6.147 0.781 20 1 "[ . 1 . +]" 1
337 1 88 LEU HB3 1 176 ILE CG2 . . 4.996 4.149 3.464 5.068 0.072 8 0 "[ . 1 . 2]" 1
338 1 88 LEU HB3 1 176 ILE HB . . 4.652 3.922 3.334 4.617 . 0 0 "[ . 1 . 2]" 1
339 1 88 LEU CD1 1 178 GLU HB3 . . 2.752 2.621 2.540 2.883 0.131 20 0 "[ . 1 . 2]" 1
340 1 88 LEU MD1 1 178 GLU HB3 . . 2.399 1.923 1.853 2.167 . 0 0 "[ . 1 . 2]" 1
341 1 88 LEU MD1 1 178 GLU CG . . 3.901 3.191 2.377 3.603 . 0 0 "[ . 1 . 2]" 1
342 1 87 HIS HB3 1 88 LEU HG . . 4.012 4.097 3.753 4.230 0.218 5 0 "[ . 1 . 2]" 1
343 1 3 LYS CD 1 88 LEU HG . . 5.169 4.874 4.060 5.200 0.031 12 0 "[ . 1 . 2]" 1
344 1 3 LYS HE2 1 88 LEU MD1 . . 4.367 2.791 1.969 3.717 . 0 0 "[ . 1 . 2]" 1
345 1 3 LYS HE2 1 88 LEU CD1 . . 4.356 3.710 2.853 4.355 . 0 0 "[ . 1 . 2]" 1
346 1 3 LYS HB3 1 87 HIS HB3 . . 5.041 4.564 2.736 5.041 0.000 5 0 "[ . 1 . 2]" 1
347 1 138 ILE CD1 1 176 ILE HG12 . . 2.607 2.951 2.856 3.066 0.459 5 0 "[ . 1 . 2]" 1
348 1 138 ILE HG13 1 176 ILE HG13 . . 3.340 3.135 2.679 3.416 0.076 8 0 "[ . 1 . 2]" 1
349 1 138 ILE HG13 1 176 ILE CG1 . . 3.092 3.174 2.845 3.325 0.233 2 0 "[ . 1 . 2]" 1
350 1 138 ILE MD 1 176 ILE HG12 . . 2.337 2.103 1.885 2.463 0.126 18 0 "[ . 1 . 2]" 1
351 1 138 ILE MD 1 176 ILE MD . . 2.395 2.343 1.878 2.575 0.180 19 0 "[ . 1 . 2]" 1
352 1 138 ILE MD 1 149 GLN HB3 . . 4.655 4.377 4.050 4.856 0.201 12 0 "[ . 1 . 2]" 1
353 1 138 ILE MD 1 149 GLN CB . . 5.101 4.879 4.709 5.013 . 0 0 "[ . 1 . 2]" 1
354 1 138 ILE MD 1 149 GLN QG . . 5.384 4.097 3.760 4.428 . 0 0 "[ . 1 . 2]" 1
355 1 138 ILE MG 1 149 GLN QG . . 2.826 2.346 1.886 2.682 . 0 0 "[ . 1 . 2]" 1
356 1 138 ILE CG2 1 149 GLN QG . . 3.044 3.120 2.553 3.513 0.469 19 0 "[ . 1 . 2]" 1
357 1 140 TYR HE1 1 149 GLN QG . . 2.355 2.198 1.975 2.397 0.042 6 0 "[ . 1 . 2]" 1
358 1 140 TYR HE1 1 149 GLN CG . . 3.018 2.952 2.708 3.185 0.167 6 0 "[ . 1 . 2]" 1
359 1 141 GLU HB2 1 150 TYR HE2 . . 2.355 2.489 2.264 2.725 0.370 11 0 "[ . 1 . 2]" 1
360 1 141 GLU CB 1 150 TYR HE2 . . 3.335 3.121 2.797 3.343 0.008 18 0 "[ . 1 . 2]" 1
361 1 139 PHE HB3 1 150 TYR HD2 . . 2.384 2.285 1.943 2.881 0.497 19 0 "[ . 1 . 2]" 1
362 1 139 PHE HB2 1 150 TYR HD2 . . 3.337 3.338 2.084 3.620 0.283 10 0 "[ . 1 . 2]" 1
363 1 139 PHE HB2 1 150 TYR HB2 . . 2.348 1.900 1.563 2.109 . 0 0 "[ . 1 . 2]" 1
364 1 139 PHE CB 1 150 TYR HB2 . . 3.051 2.449 2.278 2.830 . 0 0 "[ . 1 . 2]" 1
365 1 141 GLU HB3 1 142 LEU MD1 . . 2.574 2.205 2.094 2.362 . 0 0 "[ . 1 . 2]" 1
366 1 141 GLU HB3 1 142 LEU CD1 . . 3.398 3.078 2.997 3.283 . 0 0 "[ . 1 . 2]" 1
367 1 141 GLU HG2 1 142 LEU MD1 . . 3.740 3.338 2.824 3.626 . 0 0 "[ . 1 . 2]" 1
368 1 141 GLU CG 1 142 LEU MD1 . . 4.655 3.715 3.376 3.865 . 0 0 "[ . 1 . 2]" 1
369 1 142 LEU HB3 1 146 ARG HB2 . . 2.360 2.077 1.720 2.541 0.181 16 0 "[ . 1 . 2]" 1
370 1 142 LEU CB 1 146 ARG HB2 . . 3.328 2.658 2.163 2.927 . 0 0 "[ . 1 . 2]" 1
371 1 142 LEU HG 1 146 ARG HB2 . . 4.846 4.269 3.863 4.624 . 0 0 "[ . 1 . 2]" 1
372 1 142 LEU MD2 1 146 ARG HB2 . . 3.770 2.514 2.150 2.775 . 0 0 "[ . 1 . 2]" 1
373 1 142 LEU MD2 1 146 ARG HB3 . . 3.823 2.090 1.906 2.551 . 0 0 "[ . 1 . 2]" 1
374 1 142 LEU MD2 1 146 ARG CB . . 4.315 2.696 2.529 2.953 . 0 0 "[ . 1 . 2]" 1
375 1 142 LEU HG 1 143 PRO HD3 . . 3.084 3.169 3.037 3.535 0.451 18 0 "[ . 1 . 2]" 1
376 1 142 LEU HG 1 143 PRO HD2 . . 2.356 2.461 2.360 2.497 0.141 18 0 "[ . 1 . 2]" 1
377 1 142 LEU HG 1 143 PRO CD . . 3.134 3.231 3.154 3.395 0.261 18 0 "[ . 1 . 2]" 1
378 1 144 ASN QD 1 146 ARG HD2 . . 3.016 2.558 1.995 3.533 0.517 14 1 "[ . 1 +. 2]" 1
379 1 144 ASN QB 1 146 ARG HD2 . . 2.790 2.170 1.933 3.096 0.306 14 0 "[ . 1 . 2]" 1
380 1 142 LEU MD2 1 146 ARG HD3 . . 4.655 2.798 2.154 4.504 . 0 0 "[ . 1 . 2]" 1
381 1 142 LEU MD2 1 146 ARG CD . . 5.070 3.240 2.994 4.155 . 0 0 "[ . 1 . 2]" 1
382 1 143 PRO HG3 1 171 GLN HG3 . . 3.982 3.861 3.023 4.286 0.304 6 0 "[ . 1 . 2]" 1
383 1 143 PRO HD3 1 171 GLN CG . . 3.229 2.392 2.265 2.754 . 0 0 "[ . 1 . 2]" 1
384 1 143 PRO HD3 1 171 GLN HG2 . . 3.904 3.129 1.652 3.647 . 0 0 "[ . 1 . 2]" 1
385 1 140 TYR QB 1 171 GLN QB . . 4.274 4.189 3.898 5.114 0.840 7 2 "[ .-+ 1 . 2]" 1
386 1 141 GLU HG3 1 169 ALA MB . . 4.956 4.820 4.137 5.009 0.053 17 0 "[ . 1 . 2]" 1
387 1 7 LYS HE2 1 43 GLU HG3 . . 2.808 2.848 2.826 2.882 0.074 10 0 "[ . 1 . 2]" 1
388 1 7 LYS HD3 1 43 GLU CB . . 3.643 3.707 3.656 3.749 0.106 10 0 "[ . 1 . 2]" 1
389 1 7 LYS HB3 1 43 GLU HB2 . . 3.158 3.108 3.019 3.187 0.029 10 0 "[ . 1 . 2]" 1
390 1 7 LYS HD3 1 43 GLU HB3 . . 3.693 3.945 3.901 4.002 0.309 11 0 "[ . 1 . 2]" 1
391 1 7 LYS CE 1 43 GLU HG3 . . 3.882 3.503 3.433 3.644 . 0 0 "[ . 1 . 2]" 1
392 1 7 LYS HE3 1 43 GLU HG2 . . 4.659 4.799 4.777 4.843 0.184 11 0 "[ . 1 . 2]" 1
393 1 7 LYS CD 1 43 GLU HB2 . . 3.116 3.097 3.059 3.127 0.011 14 0 "[ . 1 . 2]" 1
394 1 7 LYS HB3 1 43 GLU HB3 . . 4.235 4.374 4.334 4.401 0.166 15 0 "[ . 1 . 2]" 1
395 1 7 LYS HB2 1 24 ASP HB3 . . 2.627 2.305 2.112 2.619 . 0 0 "[ . 1 . 2]" 1
396 1 7 LYS HB2 1 24 ASP HB2 . . 3.108 3.159 3.116 3.200 0.092 10 0 "[ . 1 . 2]" 1
397 1 7 LYS HB2 1 24 ASP CB . . 3.270 3.131 3.009 3.345 0.075 10 0 "[ . 1 . 2]" 1
398 1 7 LYS HD2 1 24 ASP HB3 . . 3.227 3.583 3.535 3.637 0.410 14 0 "[ . 1 . 2]" 1
399 1 9 THR HB 1 43 GLU HG3 . . 5.358 5.290 5.161 5.410 0.052 11 0 "[ . 1 . 2]" 1
400 1 9 THR MG 1 43 GLU HG3 . . 6.151 5.676 5.611 5.732 . 0 0 "[ . 1 . 2]" 1
401 1 9 THR MG 1 11 TYR HE2 . . 2.866 2.120 2.056 2.185 . 0 0 "[ . 1 . 2]" 1
402 1 9 THR CG2 1 11 TYR HE2 . . 3.113 2.685 2.602 2.765 . 0 0 "[ . 1 . 2]" 1
403 1 41 LYS HD3 1 43 GLU HG3 . . 4.660 4.910 4.803 5.042 0.382 16 0 "[ . 1 . 2]" 1
404 1 11 TYR HE2 1 41 LYS HG3 . . 2.535 1.966 1.908 2.059 . 0 0 "[ . 1 . 2]" 1
405 1 11 TYR HE2 1 41 LYS HG2 . . 3.004 3.129 3.064 3.186 0.182 18 0 "[ . 1 . 2]" 1
406 1 9 THR MG 1 41 LYS CB . . 5.967 4.706 4.569 4.808 . 0 0 "[ . 1 . 2]" 1
407 1 11 TYR HE2 1 41 LYS HD2 . . 3.205 2.134 2.084 2.178 . 0 0 "[ . 1 . 2]" 1
408 1 16 PHE HB3 1 41 LYS HD2 . . 2.898 2.513 2.467 2.559 . 0 0 "[ . 1 . 2]" 1
409 1 16 PHE CB 1 41 LYS HD2 . . 3.450 3.245 3.204 3.290 . 0 0 "[ . 1 . 2]" 1
410 1 16 PHE HB2 1 41 LYS HD2 . . 3.703 3.943 3.881 3.987 0.284 8 0 "[ . 1 . 2]" 1
411 1 16 PHE HD1 1 41 LYS HD2 . . 3.567 2.317 2.246 2.421 . 0 0 "[ . 1 . 2]" 1
412 1 16 PHE HD1 1 41 LYS HG2 . . 2.334 2.205 2.149 2.257 . 0 0 "[ . 1 . 2]" 1
413 1 16 PHE HD1 1 39 SER HB2 . . 2.326 2.659 2.600 2.756 0.430 2 0 "[ . 1 . 2]" 1
414 1 11 TYR HE1 1 20 ARG HG2 . . 3.213 3.242 3.210 3.271 0.058 8 0 "[ . 1 . 2]" 1
415 1 11 TYR HE1 1 20 ARG CB . . 3.183 3.130 3.070 3.174 . 0 0 "[ . 1 . 2]" 1
416 1 11 TYR HE1 1 20 ARG QB . . 2.582 2.426 2.367 2.467 . 0 0 "[ . 1 . 2]" 1
417 1 11 TYR HD1 1 20 ARG QB . . 2.332 2.218 2.184 2.266 . 0 0 "[ . 1 . 2]" 1
418 1 11 TYR HB3 1 20 ARG QB . . 4.397 3.745 3.652 3.871 . 0 0 "[ . 1 . 2]" 1
419 1 11 TYR CB 1 20 ARG QB . . 4.374 3.786 3.720 3.879 . 0 0 "[ . 1 . 2]" 1
420 1 9 THR CG2 1 20 ARG QB . . 3.148 3.613 3.528 3.658 0.510 16 1 "[ . 1 .+ 2]" 1
421 1 8 ILE HB 1 42 VAL MG2 . . 2.349 1.814 1.734 1.865 . 0 0 "[ . 1 . 2]" 1
422 1 8 ILE MD 1 42 VAL MG2 . . 3.079 1.815 1.775 1.905 . 0 0 "[ . 1 . 2]" 1
423 1 8 ILE MD 1 42 VAL CG2 . . 3.123 2.541 2.480 2.638 . 0 0 "[ . 1 . 2]" 1
424 1 6 THR HB 1 42 VAL CG2 . . 5.059 5.726 5.632 5.824 0.765 14 20 [*************+*****-] 1
425 1 8 ILE MG 1 10 PHE HZ . . 2.323 1.858 1.751 1.966 . 0 0 "[ . 1 . 2]" 1
426 1 8 ILE CG2 1 10 PHE HE2 . . 3.164 2.975 2.857 3.379 0.215 4 0 "[ . 1 . 2]" 1
427 1 8 ILE MG 1 10 PHE HE2 . . 2.338 1.997 1.916 2.322 . 0 0 "[ . 1 . 2]" 1
428 1 8 ILE HG12 1 10 PHE HZ . . 2.839 2.857 2.720 3.024 0.185 10 0 "[ . 1 . 2]" 1
429 1 8 ILE MD 1 10 PHE HE1 . . 2.344 2.049 1.965 2.185 . 0 0 "[ . 1 . 2]" 1
430 1 8 ILE MD 1 40 ILE MD . . 3.973 3.080 2.921 3.551 . 0 0 "[ . 1 . 2]" 1
431 1 8 ILE MD 1 40 ILE MG . . 3.015 2.325 2.192 2.443 . 0 0 "[ . 1 . 2]" 1
432 1 8 ILE HG12 1 40 ILE MG . . 4.049 2.989 2.843 3.131 . 0 0 "[ . 1 . 2]" 1
433 1 8 ILE HG13 1 40 ILE MG . . 3.269 2.559 2.404 2.641 . 0 0 "[ . 1 . 2]" 1
434 1 40 ILE CG2 1 42 VAL MG2 . . 3.901 3.732 3.624 3.801 . 0 0 "[ . 1 . 2]" 1
435 1 40 ILE MG 1 42 VAL MG2 . . 3.630 2.935 2.847 2.994 . 0 0 "[ . 1 . 2]" 1
436 1 8 ILE CG1 1 40 ILE MG . . 3.769 3.035 2.877 3.133 . 0 0 "[ . 1 . 2]" 1
437 1 40 ILE MG 1 42 VAL HB . . 5.079 4.036 3.943 4.162 . 0 0 "[ . 1 . 2]" 1
438 1 8 ILE HG13 1 42 VAL MG2 . . 2.332 2.010 1.936 2.108 . 0 0 "[ . 1 . 2]" 1
439 1 10 PHE HD1 1 40 ILE CD1 . . 2.780 2.432 2.280 2.507 . 0 0 "[ . 1 . 2]" 1
440 1 10 PHE HD1 1 40 ILE MD . . 2.351 1.799 1.657 1.912 . 0 0 "[ . 1 . 2]" 1
441 1 10 PHE HB3 1 40 ILE MD . . 3.838 3.216 2.490 3.531 . 0 0 "[ . 1 . 2]" 1
442 1 37 CYS QB 1 40 ILE MD . . 3.020 2.032 1.810 2.511 . 0 0 "[ . 1 . 2]" 1
443 1 10 PHE HB3 1 37 CYS QB . . 3.091 3.184 3.064 3.270 0.179 5 0 "[ . 1 . 2]" 1
444 1 37 CYS CB 1 40 ILE MD . . 3.947 2.910 2.580 3.445 . 0 0 "[ . 1 . 2]" 1
445 1 10 PHE HD1 1 37 CYS QB . . 3.279 3.240 3.047 3.475 0.196 4 0 "[ . 1 . 2]" 1
446 1 34 LEU MD2 1 37 CYS QB . . 3.767 2.728 2.495 3.140 . 0 0 "[ . 1 . 2]" 1
447 1 34 LEU MD2 1 37 CYS CB . . 3.693 3.292 3.089 3.411 . 0 0 "[ . 1 . 2]" 1
448 1 10 PHE HB3 1 34 LEU MD2 . . 2.886 2.130 2.023 2.256 . 0 0 "[ . 1 . 2]" 1
449 1 10 PHE HB2 1 34 LEU CD2 . . 3.141 2.518 2.398 2.642 . 0 0 "[ . 1 . 2]" 1
450 1 10 PHE HB2 1 34 LEU MD2 . . 2.275 1.835 1.760 1.921 . 0 0 "[ . 1 . 2]" 1
451 1 30 PHE HZ 1 34 LEU MD2 . . 3.132 2.020 1.931 2.210 . 0 0 "[ . 1 . 2]" 1
452 1 21 TYR HE2 1 30 PHE HB2 . . 3.043 2.526 2.327 2.675 . 0 0 "[ . 1 . 2]" 1
453 1 27 CYS HB2 1 30 PHE HB2 . . 4.072 2.846 2.611 3.862 . 0 0 "[ . 1 . 2]" 1
454 1 27 CYS CB 1 30 PHE HB2 . . 4.276 2.863 2.701 3.178 . 0 0 "[ . 1 . 2]" 1
455 1 27 CYS HB3 1 30 PHE HB2 . . 3.621 2.133 1.965 2.573 . 0 0 "[ . 1 . 2]" 1
456 1 21 TYR HE2 1 23 CYS QB . . 2.320 2.317 1.887 2.422 0.102 4 0 "[ . 1 . 2]" 1
457 1 21 TYR HE2 1 23 CYS CB . . 3.066 3.128 2.701 3.298 0.232 1 0 "[ . 1 . 2]" 1
458 1 10 PHE HE2 1 21 TYR HD2 . . 3.251 2.675 2.283 3.003 . 0 0 "[ . 1 . 2]" 1
459 1 10 PHE HD2 1 21 TYR HD2 . . 2.534 2.012 1.958 2.221 . 0 0 "[ . 1 . 2]" 1
460 1 10 PHE HB2 1 21 TYR HB3 . . 2.888 2.798 2.673 2.971 0.083 7 0 "[ . 1 . 2]" 1
461 1 30 PHE HE2 1 34 LEU MD2 . . 2.336 2.166 1.974 2.344 0.008 4 0 "[ . 1 . 2]" 1
462 1 30 PHE HE2 1 34 LEU HB3 . . 2.690 2.446 2.192 2.666 . 0 0 "[ . 1 . 2]" 1
463 1 30 PHE HE2 1 34 LEU HB2 . . 2.353 2.576 2.448 2.702 0.349 2 0 "[ . 1 . 2]" 1
464 1 21 TYR HB2 1 34 LEU HB2 . . 3.039 3.072 2.895 3.249 0.210 5 0 "[ . 1 . 2]" 1
465 1 21 TYR HB2 1 33 TYR HB2 . . 3.268 3.735 3.624 3.819 0.551 16 9 "[ -* . *** **+ *2]" 1
466 1 21 TYR HE1 1 33 TYR HE2 . . 4.205 4.438 4.279 4.845 0.640 13 3 "[ . - 1 + . * 2]" 1
467 1 21 TYR HD1 1 33 TYR HD2 . . 4.653 4.823 4.743 4.935 0.282 10 0 "[ . 1 . 2]" 1
468 1 32 THR CG2 1 33 TYR HD2 . . 3.554 3.612 3.538 3.888 0.334 7 0 "[ . 1 . 2]" 1
469 1 21 TYR HD1 1 33 TYR CB . . 3.192 3.289 3.230 3.356 0.164 12 0 "[ . 1 . 2]" 1
470 1 32 THR MG 1 33 TYR HD2 . . 2.536 2.571 2.513 2.785 0.249 7 0 "[ . 1 . 2]" 1
471 1 29 ASP QB 1 32 THR MG . . 4.135 3.795 3.723 3.999 . 0 0 "[ . 1 . 2]" 1
472 1 28 ALA MB 1 29 ASP QB . . 3.852 3.478 3.437 3.555 . 0 0 "[ . 1 . 2]" 1
473 1 29 ASP QB 1 31 HIS QB . . 5.515 5.021 4.929 5.099 . 0 0 "[ . 1 . 2]" 1
474 1 30 PHE HE1 1 31 HIS QB . . 5.405 5.564 5.473 5.657 0.252 17 0 "[ . 1 . 2]" 1
475 1 21 TYR HE2 1 30 PHE HD1 . . 4.870 5.183 5.104 5.337 0.467 17 0 "[ . 1 . 2]" 1
476 1 31 HIS QB 1 34 LEU HB3 . . 5.562 5.769 5.653 5.967 0.405 13 0 "[ . 1 . 2]" 1
477 1 31 HIS QB 1 32 THR MG . . 4.236 4.003 3.960 4.108 . 0 0 "[ . 1 . 2]" 1
478 1 31 HIS HD2 1 32 THR HB . . 4.658 5.700 5.586 5.777 1.119 20 20 [************-******+] 1
479 1 31 HIS HE1 1 35 SER HB3 . . 4.734 4.926 4.824 5.060 0.326 7 0 "[ . 1 . 2]" 1
480 1 31 HIS HE1 1 35 SER CB . . 4.909 5.007 4.897 5.109 0.200 9 0 "[ . 1 . 2]" 1
481 1 35 SER HB3 1 36 ARG HB2 . . 3.950 4.143 4.017 4.210 0.260 14 0 "[ . 1 . 2]" 1
482 1 35 SER HB2 1 36 ARG HB2 . . 4.105 4.184 4.026 4.270 0.165 8 0 "[ . 1 . 2]" 1
483 1 19 ARG HB3 1 34 LEU MD1 . . 2.352 1.927 1.895 1.988 . 0 0 "[ . 1 . 2]" 1
484 1 12 GLU HG2 1 34 LEU MD1 . . 2.679 2.493 2.304 2.669 . 0 0 "[ . 1 . 2]" 1
485 1 21 TYR HB2 1 34 LEU MD1 . . 3.501 3.722 3.653 3.755 0.254 1 0 "[ . 1 . 2]" 1
486 1 19 ARG HB3 1 34 LEU CD1 . . 2.569 2.693 2.600 2.744 0.175 7 0 "[ . 1 . 2]" 1
487 1 12 GLU HG3 1 34 LEU MD1 . . 3.062 2.169 1.968 2.458 . 0 0 "[ . 1 . 2]" 1
488 1 12 GLU HG3 1 19 ARG HB3 . . 3.617 3.227 2.880 3.407 . 0 0 "[ . 1 . 2]" 1
489 1 12 GLU HG3 1 19 ARG HB2 . . 3.296 2.377 2.028 2.553 . 0 0 "[ . 1 . 2]" 1
490 1 12 GLU HB2 1 19 ARG HB2 . . 2.265 1.958 1.887 2.179 . 0 0 "[ . 1 . 2]" 1
491 1 12 GLU HB3 1 19 ARG HB2 . . 3.685 3.189 3.034 3.507 . 0 0 "[ . 1 . 2]" 1
492 1 12 GLU CB 1 19 ARG HB2 . . 3.574 2.795 2.739 2.924 . 0 0 "[ . 1 . 2]" 1
493 1 19 ARG HB2 1 34 LEU MD1 . . 3.049 2.759 2.610 2.853 . 0 0 "[ . 1 . 2]" 1
494 1 19 ARG HD3 1 34 LEU MD1 . . 4.915 3.907 3.510 4.084 . 0 0 "[ . 1 . 2]" 1
495 1 13 ASP HB3 1 17 GLN HB2 . . 2.722 2.861 2.789 2.923 0.201 10 0 "[ . 1 . 2]" 1
496 1 13 ASP CB 1 17 GLN HB3 . . 3.938 4.129 4.111 4.141 0.203 19 0 "[ . 1 . 2]" 1
497 1 13 ASP HB2 1 17 GLN CB . . 3.011 3.325 3.272 3.364 0.353 13 0 "[ . 1 . 2]" 1
498 1 13 ASP HB3 1 17 GLN HB3 . . 3.884 3.954 3.927 3.990 0.106 16 0 "[ . 1 . 2]" 1
499 1 14 LYS QB 1 39 SER HB3 . . 3.412 3.432 3.396 3.481 0.069 16 0 "[ . 1 . 2]" 1
500 1 14 LYS HG2 1 39 SER HB3 . . 3.611 3.691 3.654 3.778 0.167 16 0 "[ . 1 . 2]" 1
501 1 14 LYS HG2 1 38 ASN HB3 . . 3.141 3.013 2.708 3.347 0.206 8 0 "[ . 1 . 2]" 1
502 1 14 LYS HG3 1 38 ASN HB3 . . 2.827 2.120 1.903 2.561 . 0 0 "[ . 1 . 2]" 1
503 1 11 TYR HB2 1 38 ASN HB2 . . 3.930 4.283 4.028 4.609 0.679 12 5 "[ *- *1*+ . 2]" 1
504 1 14 LYS QB 1 17 GLN HB2 . . 4.899 5.074 4.997 5.131 0.232 20 0 "[ . 1 . 2]" 1
505 1 15 ASN HB2 1 17 GLN HG3 . . 2.512 2.451 2.397 2.495 . 0 0 "[ . 1 . 2]" 1
506 1 15 ASN HB3 1 17 GLN HG2 . . 4.978 4.673 4.336 4.854 . 0 0 "[ . 1 . 2]" 1
507 1 15 ASN HB3 1 17 GLN HG3 . . 3.577 3.423 3.274 3.518 . 0 0 "[ . 1 . 2]" 1
508 1 15 ASN CB 1 17 GLN HG3 . . 3.367 3.296 3.198 3.347 . 0 0 "[ . 1 . 2]" 1
509 1 15 ASN HB2 1 17 GLN CG . . 3.243 3.507 3.453 3.555 0.312 20 0 "[ . 1 . 2]" 1
510 1 15 ASN HB3 1 16 PHE HD2 . . 3.920 4.402 4.342 4.475 0.555 13 6 "[ ** .* 1 + * - 2]" 1
511 1 15 ASN HB3 1 16 PHE HB2 . . 5.159 5.137 5.104 5.173 0.014 11 0 "[ . 1 . 2]" 1
512 1 16 PHE HE1 1 41 LYS HB3 . . 3.058 3.311 3.250 3.418 0.360 16 0 "[ . 1 . 2]" 1
513 1 16 PHE HZ 1 41 LYS HE3 . . 3.082 3.474 3.413 3.512 0.430 19 0 "[ . 1 . 2]" 1
514 1 16 PHE HZ 1 41 LYS CE . . 3.985 4.049 4.003 4.074 0.089 7 0 "[ . 1 . 2]" 1
515 1 16 PHE HZ 1 41 LYS HE2 . . 4.655 3.603 3.482 3.656 . 0 0 "[ . 1 . 2]" 1
516 1 16 PHE HE1 1 41 LYS HE2 . . 3.029 2.973 2.860 3.056 0.027 9 0 "[ . 1 . 2]" 1
517 1 41 LYS HB2 1 43 GLU HG2 . . 4.203 3.534 3.368 3.734 . 0 0 "[ . 1 . 2]" 1
518 1 9 THR MG 1 20 ARG QD . . 3.014 2.701 2.610 2.763 . 0 0 "[ . 1 . 2]" 1
519 1 9 THR CG2 1 20 ARG QD . . 3.746 3.499 3.381 3.577 . 0 0 "[ . 1 . 2]" 1
520 1 20 ARG QD 1 22 ASP HB2 . . 4.211 4.074 3.986 4.296 0.085 10 0 "[ . 1 . 2]" 1
521 1 7 LYS HE3 1 22 ASP HB3 . . 3.176 3.287 3.259 3.320 0.144 11 0 "[ . 1 . 2]" 1
522 1 7 LYS HD2 1 22 ASP HB3 . . 3.814 4.208 4.108 4.253 0.439 5 0 "[ . 1 . 2]" 1
523 1 7 LYS CE 1 22 ASP HB3 . . 3.588 3.708 3.690 3.745 0.157 10 0 "[ . 1 . 2]" 1
524 1 7 LYS CD 1 22 ASP HB3 . . 4.260 4.461 4.392 4.495 0.235 5 0 "[ . 1 . 2]" 1
525 1 7 LYS HG2 1 43 GLU HB2 . . 2.510 1.970 1.947 1.989 . 0 0 "[ . 1 . 2]" 1
526 1 7 LYS CG 1 43 GLU HB2 . . 3.173 2.840 2.821 2.847 . 0 0 "[ . 1 . 2]" 1
527 1 2 SER HB2 1 4 THR CG2 . . 3.442 3.354 3.041 3.599 0.157 20 0 "[ . 1 . 2]" 1
528 1 2 SER HB2 1 4 THR MG . . 3.947 2.382 2.075 2.733 . 0 0 "[ . 1 . 2]" 1
529 1 25 CYS QB 1 26 ASP QB . . 4.224 4.578 4.532 4.624 0.400 3 0 "[ . 1 . 2]" 1
530 1 23 CYS QB 1 25 CYS QB . . 6.104 4.296 3.985 4.687 . 0 0 "[ . 1 . 2]" 1
531 1 12 GLU HG2 1 36 ARG HB3 . . 2.350 2.496 1.996 2.743 0.393 13 0 "[ . 1 . 2]" 1
532 1 12 GLU HG3 1 36 ARG HB3 . . 4.657 4.162 3.577 4.490 . 0 0 "[ . 1 . 2]" 1
533 1 12 GLU HG3 1 35 SER HB2 . . 3.859 3.883 3.705 3.973 0.114 9 0 "[ . 1 . 2]" 1
534 1 29 ASP QB 1 32 THR HB . . 5.880 5.611 5.540 5.682 . 0 0 "[ . 1 . 2]" 1
535 1 32 THR MG 1 33 TYR HE2 . . 3.271 2.775 2.738 2.805 . 0 0 "[ . 1 . 2]" 1
536 1 30 PHE HD2 1 33 TYR HB2 . . 2.357 2.696 2.567 2.753 0.396 16 0 "[ . 1 . 2]" 1
537 1 10 PHE HB2 1 30 PHE HE2 . . 2.331 2.392 2.261 2.497 0.166 2 0 "[ . 1 . 2]" 1
538 1 21 TYR HE2 1 30 PHE HD2 . . 2.821 3.081 2.925 3.168 0.347 8 0 "[ . 1 . 2]" 1
539 1 30 PHE HD2 1 33 TYR HB3 . . 3.840 4.028 3.991 4.105 0.265 7 0 "[ . 1 . 2]" 1
540 1 48 ALA CB 1 84 ARG HB2 . . 3.298 3.435 3.310 3.558 0.260 10 0 "[ . 1 . 2]" 1
541 1 48 ALA MB 1 84 ARG HB2 . . 2.334 2.566 2.450 2.703 0.369 2 0 "[ . 1 . 2]" 1
542 1 48 ALA MB 1 86 VAL MG2 . . 2.325 1.659 1.624 1.719 . 0 0 "[ . 1 . 2]" 1
543 1 48 ALA CB 1 86 VAL MG2 . . 3.221 2.243 2.180 2.346 . 0 0 "[ . 1 . 2]" 1
544 1 48 ALA MB 1 84 ARG HG3 . . 3.971 3.685 3.423 3.886 . 0 0 "[ . 1 . 2]" 1
545 1 48 ALA MB 1 86 VAL CG2 . . 3.241 2.254 2.204 2.317 . 0 0 "[ . 1 . 2]" 1
546 1 26 ASP QB 1 84 ARG HB3 . . 4.396 4.292 4.155 4.408 0.012 18 0 "[ . 1 . 2]" 1
547 1 26 ASP QB 1 84 ARG HD3 . . 3.112 3.207 3.119 3.326 0.214 10 0 "[ . 1 . 2]" 1
548 1 46 THR HB 1 86 VAL MG1 . . 3.608 2.003 1.833 2.196 . 0 0 "[ . 1 . 2]" 1
549 1 61 ILE MG 1 86 VAL MG1 . . 4.167 2.500 2.262 2.814 . 0 0 "[ . 1 . 2]" 1
550 1 46 THR MG 1 61 ILE MG . . 2.877 2.247 2.079 2.430 . 0 0 "[ . 1 . 2]" 1
551 1 46 THR CG2 1 61 ILE MG . . 3.440 3.027 2.816 3.217 . 0 0 "[ . 1 . 2]" 1
552 1 61 ILE MG 1 86 VAL HB . . 3.509 3.263 2.861 3.574 0.065 12 0 "[ . 1 . 2]" 1
553 1 61 ILE HG12 1 86 VAL MG2 . . 4.950 3.558 3.022 4.203 . 0 0 "[ . 1 . 2]" 1
554 1 48 ALA MB 1 61 ILE HG13 . . 3.255 2.416 1.716 3.147 . 0 0 "[ . 1 . 2]" 1
555 1 48 ALA CB 1 61 ILE MD . . 6.060 4.564 3.058 5.325 . 0 0 "[ . 1 . 2]" 1
556 1 46 THR MG 1 63 PRO HB3 . . 3.589 3.636 3.586 3.671 0.082 11 0 "[ . 1 . 2]" 1
557 1 47 TRP QB 1 49 VAL MG1 . . 3.017 3.089 2.960 3.211 0.194 1 0 "[ . 1 . 2]" 1
558 1 47 TRP QB 1 62 LEU HB3 . . 3.542 3.390 3.115 3.556 0.014 18 0 "[ . 1 . 2]" 1
559 1 47 TRP QB 1 62 LEU HB2 . . 4.114 3.761 3.586 3.879 . 0 0 "[ . 1 . 2]" 1
560 1 49 VAL MG1 1 83 CYS QB . . 2.381 1.751 1.708 1.799 . 0 0 "[ . 1 . 2]" 1
561 1 49 VAL MG1 1 83 CYS CB . . 3.037 2.412 2.347 2.456 . 0 0 "[ . 1 . 2]" 1
562 1 49 VAL CG1 1 83 CYS QB . . 3.534 2.450 2.313 2.592 . 0 0 "[ . 1 . 2]" 1
563 1 47 TRP QB 1 83 CYS QB . . 3.028 3.741 3.498 3.897 0.869 10 18 "[******-**+*** *** **]" 1
564 1 47 TRP HE3 1 83 CYS QB . . 2.393 2.689 2.562 2.758 0.365 19 0 "[ . 1 . 2]" 1
565 1 6 THR MG 1 85 ALA MB . . 3.024 2.225 1.900 2.677 . 0 0 "[ . 1 . 2]" 1
566 1 6 THR MG 1 85 ALA CB . . 4.035 3.157 2.926 3.480 . 0 0 "[ . 1 . 2]" 1
567 1 47 TRP HH2 1 85 ALA MB . . 2.714 3.159 3.056 3.259 0.545 18 2 "[ . - . + 2]" 1
568 1 49 VAL HB 1 80 LEU MD1 . . 2.351 2.001 1.734 2.281 . 0 0 "[ . 1 . 2]" 1
569 1 49 VAL CB 1 80 LEU MD1 . . 3.015 2.511 2.393 2.589 . 0 0 "[ . 1 . 2]" 1
570 1 49 VAL CG1 1 80 LEU MD1 . . 2.613 2.321 2.246 2.393 . 0 0 "[ . 1 . 2]" 1
571 1 49 VAL MG1 1 80 LEU MD1 . . 2.361 1.713 1.665 1.786 . 0 0 "[ . 1 . 2]" 1
572 1 49 VAL MG2 1 80 LEU MD2 . . 2.358 1.978 1.795 2.244 . 0 0 "[ . 1 . 2]" 1
573 1 49 VAL HB 1 80 LEU MD2 . . 2.339 2.271 1.923 2.466 0.127 2 0 "[ . 1 . 2]" 1
574 1 49 VAL CG2 1 80 LEU HG . . 4.784 4.705 4.196 4.966 0.182 19 0 "[ . 1 . 2]" 1
575 1 37 CYS QB 1 80 LEU QB . . 2.313 1.801 1.682 2.093 . 0 0 "[ . 1 . 2]" 1
576 1 37 CYS QB 1 80 LEU CB . . 2.825 2.666 2.544 2.862 0.037 7 0 "[ . 1 . 2]" 1
577 1 37 CYS CB 1 80 LEU QB . . 2.679 2.400 2.308 2.533 . 0 0 "[ . 1 . 2]" 1
578 1 73 TRP HZ3 1 80 LEU HG . . 2.360 2.457 1.905 2.829 0.469 18 0 "[ . 1 . 2]" 1
579 1 73 TRP HZ3 1 80 LEU CD2 . . 3.061 3.272 2.896 3.439 0.378 11 0 "[ . 1 . 2]" 1
580 1 73 TRP HZ3 1 80 LEU MD2 . . 2.852 2.639 2.411 2.933 0.081 11 0 "[ . 1 . 2]" 1
581 1 37 CYS CB 1 73 TRP HH2 . . 3.095 2.773 2.498 3.547 0.452 11 0 "[ . 1 . 2]" 1
582 1 37 CYS QB 1 73 TRP HH2 . . 2.279 2.078 1.807 2.607 0.328 9 0 "[ . 1 . 2]" 1
583 1 40 ILE MD 1 80 LEU HG . . 3.217 2.090 1.835 2.302 . 0 0 "[ . 1 . 2]" 1
584 1 40 ILE CD1 1 80 LEU HG . . 3.775 2.846 2.473 3.191 . 0 0 "[ . 1 . 2]" 1
585 1 40 ILE MD 1 73 TRP HZ3 . . 2.359 2.284 1.812 2.685 0.326 16 0 "[ . 1 . 2]" 1
586 1 40 ILE CD1 1 73 TRP HZ3 . . 2.708 3.068 2.520 3.538 0.830 16 10 "[* .*** 1 *+**-*]" 1
587 1 37 CYS QB 1 40 ILE CD1 . . 3.020 2.965 2.487 3.476 0.456 7 0 "[ . 1 . 2]" 1
588 1 80 LEU MD1 1 83 CYS QB . . 3.854 3.124 2.585 3.573 . 0 0 "[ . 1 . 2]" 1
589 1 40 ILE MG 1 62 LEU MD1 . . 2.395 1.966 1.798 2.208 . 0 0 "[ . 1 . 2]" 1
590 1 40 ILE MG 1 62 LEU CD1 . . 3.194 2.686 2.441 3.087 . 0 0 "[ . 1 . 2]" 1
591 1 40 ILE CG2 1 62 LEU MD1 . . 3.254 2.684 2.479 2.948 . 0 0 "[ . 1 . 2]" 1
592 1 42 VAL MG2 1 47 TRP QB . . 3.730 1.781 1.663 1.986 . 0 0 "[ . 1 . 2]" 1
593 1 42 VAL CG1 1 47 TRP HD1 . . 3.160 3.267 2.934 3.582 0.422 4 0 "[ . 1 . 2]" 1
594 1 40 ILE MD 1 62 LEU MD1 . . 2.795 1.850 1.730 2.089 . 0 0 "[ . 1 . 2]" 1
595 1 62 LEU CD2 1 67 TYR HE1 . . 3.710 3.480 3.363 3.665 . 0 0 "[ . 1 . 2]" 1
596 1 62 LEU MD2 1 67 TYR HE1 . . 3.061 2.615 2.523 2.776 . 0 0 "[ . 1 . 2]" 1
597 1 40 ILE MG 1 67 TYR HD1 . . 3.033 2.045 1.924 2.261 . 0 0 "[ . 1 . 2]" 1
598 1 40 ILE HB 1 67 TYR HB2 . . 2.359 2.642 2.528 2.747 0.389 2 0 "[ . 1 . 2]" 1
599 1 40 ILE HB 1 67 TYR HB3 . . 3.639 3.847 3.683 4.055 0.416 2 0 "[ . 1 . 2]" 1
600 1 86 VAL MG1 1 87 HIS HB2 . . 4.823 4.397 4.141 4.562 . 0 0 "[ . 1 . 2]" 1
601 1 51 GLU QG 1 77 ASN HB3 . . 3.707 3.448 3.027 3.750 0.043 10 0 "[ . 1 . 2]" 1
602 1 51 GLU CG 1 77 ASN HB3 . . 4.286 4.445 4.020 4.785 0.499 5 0 "[ . 1 . 2]" 1
603 1 76 LEU HB2 1 77 ASN HB2 . . 5.036 4.656 3.302 5.567 0.531 11 1 "[ . 1+ . 2]" 1
604 1 76 LEU CB 1 77 ASN HB2 . . 4.993 4.322 4.063 4.622 . 0 0 "[ . 1 . 2]" 1
605 1 60 TYR HB2 1 76 LEU MD1 . . 3.247 3.190 2.626 3.551 0.304 5 0 "[ . 1 . 2]" 1
606 1 60 TYR CB 1 76 LEU MD1 . . 3.752 3.715 3.270 4.030 0.278 15 0 "[ . 1 . 2]" 1
607 1 51 GLU QG 1 79 ARG HD3 . . 2.343 2.423 2.241 2.883 0.540 9 1 "[ . +1 . 2]" 1
608 1 51 GLU QG 1 79 ARG HD2 . . 3.967 2.126 1.857 3.758 . 0 0 "[ . 1 . 2]" 1
609 1 51 GLU QG 1 79 ARG HB3 . . 2.376 2.692 2.224 2.895 0.519 19 3 "[ . - 1 . +*]" 1
610 1 69 GLU HB3 1 71 GLN HG2 . . 2.359 2.142 1.985 2.433 0.074 11 0 "[ . 1 . 2]" 1
611 1 70 TYR QB 1 73 TRP HZ2 . . 2.345 2.896 2.500 3.069 0.724 8 14 "[**- .**+ 1 ********]" 1
612 1 70 TYR CB 1 73 TRP HZ2 . . 3.290 3.600 3.343 3.718 0.428 14 0 "[ . 1 . 2]" 1
613 1 70 TYR HE2 1 71 GLN HB3 . . 2.822 3.241 3.112 3.455 0.633 14 4 "[ ** . 1 -+. 2]" 1
614 1 69 GLU HB2 1 71 GLN HG3 . . 3.009 2.479 2.358 2.566 . 0 0 "[ . 1 . 2]" 1
615 1 42 VAL MG1 1 64 GLN HG2 . . 2.218 1.896 1.848 1.973 . 0 0 "[ . 1 . 2]" 1
616 1 42 VAL HB 1 64 GLN HG2 . . 3.868 3.933 3.736 3.994 0.126 20 0 "[ . 1 . 2]" 1
617 1 42 VAL HB 1 62 LEU HB3 . . 5.155 4.622 4.366 4.810 . 0 0 "[ . 1 . 2]" 1
618 1 62 LEU MD2 1 63 PRO QD . . 3.391 1.888 1.850 1.951 . 0 0 "[ . 1 . 2]" 1
619 1 62 LEU CD2 1 63 PRO QD . . 3.296 2.547 2.486 2.726 . 0 0 "[ . 1 . 2]" 1
620 1 60 TYR QE 1 63 PRO QD . . 3.112 3.631 3.379 3.806 0.694 4 14 "[* +******** -*** 2]" 1
621 1 59 MET HB3 1 61 ILE CD1 . . 4.652 3.734 3.418 4.183 . 0 0 "[ . 1 . 2]" 1
622 1 59 MET HB3 1 61 ILE MD . . 4.115 2.801 2.616 3.039 . 0 0 "[ . 1 . 2]" 1
623 1 50 TYR QE 1 59 MET HG2 . . 2.847 2.646 2.043 3.049 0.202 10 0 "[ . 1 . 2]" 1
624 1 50 TYR QB 1 59 MET HG3 . . 4.870 4.789 4.432 5.180 0.310 9 0 "[ . 1 . 2]" 1
625 1 50 TYR CB 1 59 MET HG3 . . 4.765 5.127 4.927 5.551 0.786 9 2 "[ . +- . 2]" 1
626 1 53 PRO HB3 1 81 SER HB3 . . 2.223 1.701 1.612 1.785 . 0 0 "[ . 1 . 2]" 1
627 1 53 PRO CB 1 81 SER HB3 . . 3.055 2.515 2.434 2.587 . 0 0 "[ . 1 . 2]" 1
628 1 53 PRO HB2 1 81 SER HB3 . . 3.763 3.426 3.338 3.502 . 0 0 "[ . 1 . 2]" 1
629 1 53 PRO HB3 1 81 SER HB2 . . 3.318 2.868 2.654 2.992 . 0 0 "[ . 1 . 2]" 1
630 1 53 PRO HD3 1 81 SER HB2 . . 2.742 2.666 2.256 2.810 0.068 10 0 "[ . 1 . 2]" 1
631 1 53 PRO HG3 1 81 SER HB2 . . 4.398 4.078 3.626 4.247 . 0 0 "[ . 1 . 2]" 1
632 1 53 PRO CD 1 81 SER HB3 . . 3.695 2.940 2.797 3.139 . 0 0 "[ . 1 . 2]" 1
633 1 79 ARG HG2 1 81 SER HB2 . . 4.655 4.683 4.462 4.905 0.250 20 0 "[ . 1 . 2]" 1
634 1 53 PRO HD2 1 79 ARG HG2 . . 5.124 4.741 4.352 5.042 . 0 0 "[ . 1 . 2]" 1
635 1 53 PRO HD3 1 79 ARG HG2 . . 4.151 3.785 3.528 4.162 0.011 9 0 "[ . 1 . 2]" 1
636 1 14 LYS HD3 1 69 GLU QG . . 3.098 3.287 3.192 3.357 0.259 14 0 "[ . 1 . 2]" 1
637 1 14 LYS CD 1 69 GLU QG . . 2.833 2.944 2.876 2.998 0.165 15 0 "[ . 1 . 2]" 1
638 1 14 LYS HD2 1 69 GLU QG . . 2.311 2.300 2.195 2.389 0.078 15 0 "[ . 1 . 2]" 1
639 1 14 LYS QB 1 69 GLU QG . . 2.329 2.320 2.206 2.380 0.051 18 0 "[ . 1 . 2]" 1
640 1 14 LYS HG2 1 69 GLU QG . . 2.352 2.415 2.223 2.529 0.177 8 0 "[ . 1 . 2]" 1
641 1 39 SER HB3 1 68 PRO QB . . 4.909 4.052 3.830 4.192 . 0 0 "[ . 1 . 2]" 1
642 1 39 SER HB3 1 69 GLU QG . . 4.099 4.026 3.924 4.105 0.006 16 0 "[ . 1 . 2]" 1
643 1 14 LYS HD3 1 70 TYR HD1 . . 3.265 3.203 2.945 3.454 0.189 12 0 "[ . 1 . 2]" 1
644 1 14 LYS HD3 1 70 TYR HE1 . . 2.351 2.604 2.486 2.690 0.339 8 0 "[ . 1 . 2]" 1
645 1 14 LYS HD2 1 70 TYR HE1 . . 4.140 4.308 4.218 4.373 0.233 8 0 "[ . 1 . 2]" 1
646 1 68 PRO QB 1 69 GLU QG . . 2.652 2.763 2.646 2.849 0.197 7 0 "[ . 1 . 2]" 1
647 1 70 TYR HD2 1 71 GLN HB3 . . 3.537 3.536 3.285 3.682 0.145 8 0 "[ . 1 . 2]" 1
648 1 71 GLN HB2 1 72 ARG HD3 . . 4.967 5.057 4.999 5.171 0.204 11 0 "[ . 1 . 2]" 1
649 1 71 GLN HG3 1 72 ARG HG2 . . 2.686 2.644 2.446 3.021 0.335 11 0 "[ . 1 . 2]" 1
650 1 14 LYS HG2 1 71 GLN HG2 . . 5.432 5.271 5.005 5.527 0.095 11 0 "[ . 1 . 2]" 1
651 1 68 PRO HD2 1 72 ARG HD2 . . 3.050 2.674 2.166 3.076 0.026 4 0 "[ . 1 . 2]" 1
652 1 68 PRO HD2 1 72 ARG HG3 . . 2.623 1.868 1.733 1.977 . 0 0 "[ . 1 . 2]" 1
653 1 68 PRO HD2 1 72 ARG CG . . 3.417 2.707 2.551 2.906 . 0 0 "[ . 1 . 2]" 1
654 1 68 PRO HG2 1 72 ARG HD2 . . 4.732 3.464 2.877 4.018 . 0 0 "[ . 1 . 2]" 1
655 1 68 PRO CG 1 72 ARG HD2 . . 5.023 3.987 3.401 4.522 . 0 0 "[ . 1 . 2]" 1
656 1 68 PRO HD2 1 72 ARG HB3 . . 3.501 3.261 2.884 3.775 0.274 12 0 "[ . 1 . 2]" 1
657 1 66 GLU HB2 1 68 PRO HD3 . . 3.600 3.058 2.935 3.122 . 0 0 "[ . 1 . 2]" 1
658 1 66 GLU CB 1 68 PRO HD3 . . 3.700 3.646 3.516 3.707 0.007 19 0 "[ . 1 . 2]" 1
659 1 66 GLU HB3 1 68 PRO HD3 . . 3.200 3.413 3.260 3.496 0.296 19 0 "[ . 1 . 2]" 1
660 1 66 GLU HB2 1 68 PRO HG3 . . 4.800 4.785 4.628 4.846 0.046 19 0 "[ . 1 . 2]" 1
661 1 66 GLU HB2 1 68 PRO HG2 . . 5.600 5.895 5.721 5.979 0.379 19 0 "[ . 1 . 2]" 1
662 1 67 TYR HB3 1 72 ARG HB3 . . 3.400 3.312 2.868 3.580 0.180 13 0 "[ . 1 . 2]" 1
663 1 67 TYR HB3 1 72 ARG HB2 . . 2.400 2.053 1.863 2.360 . 0 0 "[ . 1 . 2]" 1
664 1 67 TYR HB3 1 72 ARG CB . . 3.200 3.039 2.796 3.231 0.031 10 0 "[ . 1 . 2]" 1
665 1 67 TYR HD2 1 72 ARG HB3 . . 2.400 2.493 1.935 2.822 0.422 2 0 "[ . 1 . 2]" 1
666 1 67 TYR HD2 1 72 ARG HB2 . . 2.320 2.447 2.017 2.589 0.269 5 0 "[ . 1 . 2]" 1
667 1 67 TYR CB 1 72 ARG HB3 . . 3.950 3.835 3.429 4.006 0.056 13 0 "[ . 1 . 2]" 1
668 1 67 TYR HD2 1 72 ARG CB . . 2.900 2.870 2.605 3.019 0.119 13 0 "[ . 1 . 2]" 1
669 1 62 LEU MD2 1 67 TYR HE2 . . 3.200 3.170 3.089 3.294 0.094 13 0 "[ . 1 . 2]" 1
670 1 62 LEU CD2 1 67 TYR HE2 . . 3.900 4.111 3.989 4.265 0.365 13 0 "[ . 1 . 2]" 1
671 1 126 GLU HB3 1 168 PRO HG2 . . 2.357 1.891 1.813 1.989 . 0 0 "[ . 1 . 2]" 1
672 1 126 GLU HB2 1 168 PRO HG3 . . 4.653 3.790 3.661 4.155 . 0 0 "[ . 1 . 2]" 1
673 1 128 HIS HD2 1 168 PRO HG3 . . 2.332 2.385 2.219 2.539 0.207 10 0 "[ . 1 . 2]" 1
674 1 167 SER HB3 1 168 PRO HD2 . . 2.359 2.596 2.497 2.802 0.443 7 0 "[ . 1 . 2]" 1
675 1 167 SER HB3 1 168 PRO HD3 . . 3.766 3.925 3.847 4.089 0.323 7 0 "[ . 1 . 2]" 1
676 1 167 SER HB3 1 168 PRO HG2 . . 4.228 4.124 4.031 4.334 0.106 7 0 "[ . 1 . 2]" 1
677 1 167 SER CB 1 168 PRO HD2 . . 2.867 2.711 2.591 3.017 0.150 7 0 "[ . 1 . 2]" 1
678 1 166 ALA MB 1 167 SER HB2 . . 3.859 3.359 3.282 3.451 . 0 0 "[ . 1 . 2]" 1
679 1 166 ALA CB 1 167 SER HB2 . . 4.233 4.144 4.030 4.255 0.022 3 0 "[ . 1 . 2]" 1
680 1 167 SER HB3 1 169 ALA MB . . 3.320 2.737 2.625 2.858 . 0 0 "[ . 1 . 2]" 1
681 1 167 SER HB3 1 169 ALA CB . . 3.445 3.648 3.568 3.737 0.292 7 0 "[ . 1 . 2]" 1
682 1 165 ALA MB 1 169 ALA MB . . 6.014 4.153 3.569 4.838 . 0 0 "[ . 1 . 2]" 1
683 1 165 ALA MB 1 170 VAL MG2 . . 3.753 3.758 3.559 3.893 0.140 16 0 "[ . 1 . 2]" 1
684 1 141 GLU HG2 1 170 VAL MG1 . . 4.996 4.986 4.905 5.080 0.084 2 0 "[ . 1 . 2]" 1
685 1 141 GLU HG3 1 170 VAL MG2 . . 4.381 4.550 4.370 4.768 0.387 2 0 "[ . 1 . 2]" 1
686 1 148 ARG HD3 1 150 TYR HE2 . . 5.559 5.491 4.989 5.906 0.347 19 0 "[ . 1 . 2]" 1
687 1 142 LEU HB3 1 143 PRO HD2 . . 2.279 1.766 1.492 2.583 0.304 6 0 "[ . 1 . 2]" 1
688 1 142 LEU HB3 1 143 PRO HG2 . . 4.191 3.499 3.301 4.129 . 0 0 "[ . 1 . 2]" 1
689 1 142 LEU HB2 1 146 ARG HB2 . . 3.230 2.379 1.840 2.549 . 0 0 "[ . 1 . 2]" 1
690 1 142 LEU HB3 1 146 ARG HB3 . . 3.440 3.017 2.697 3.789 0.349 6 0 "[ . 1 . 2]" 1
691 1 142 LEU HB3 1 146 ARG CB . . 3.335 2.956 2.747 3.544 0.209 16 0 "[ . 1 . 2]" 1
692 1 142 LEU CD2 1 146 ARG HB3 . . 4.142 2.816 2.573 3.483 . 0 0 "[ . 1 . 2]" 1
693 1 126 GLU HG2 1 168 PRO HG2 . . 4.651 3.813 3.680 3.911 . 0 0 "[ . 1 . 2]" 1
694 1 129 SER QB 1 158 ARG HB2 . . 4.371 3.575 3.170 4.534 0.163 3 0 "[ . 1 . 2]" 1
695 1 129 SER CB 1 158 ARG HB2 . . 5.209 4.363 4.124 5.089 . 0 0 "[ . 1 . 2]" 1
696 1 158 ARG HG2 1 159 LYS QG . . 2.659 2.510 2.416 2.670 0.011 14 0 "[ . 1 . 2]" 1
697 1 158 ARG CG 1 159 LYS QG . . 3.042 3.171 2.998 3.379 0.337 17 0 "[ . 1 . 2]" 1
698 1 158 ARG QD 1 159 LYS QG . . 3.697 3.599 3.456 3.707 0.010 11 0 "[ . 1 . 2]" 1
699 1 159 LYS HB2 1 161 ILE HB . . 3.477 3.369 3.286 3.568 0.091 13 0 "[ . 1 . 2]" 1
700 1 159 LYS CB 1 161 ILE HB . . 4.261 4.239 4.169 4.430 0.169 15 0 "[ . 1 . 2]" 1
701 1 159 LYS HD3 1 161 ILE HB . . 2.350 2.471 1.970 2.602 0.252 15 0 "[ . 1 . 2]" 1
702 1 159 LYS HD2 1 161 ILE HB . . 3.471 3.575 3.352 3.661 0.190 15 0 "[ . 1 . 2]" 1
703 1 159 LYS QG 1 161 ILE HB . . 3.900 3.970 3.784 4.146 0.246 15 0 "[ . 1 . 2]" 1
704 1 159 LYS HB2 1 161 ILE MD . . 2.354 2.112 1.809 2.322 . 0 0 "[ . 1 . 2]" 1
705 1 159 LYS HB2 1 161 ILE CD1 . . 3.379 2.943 2.758 3.097 . 0 0 "[ . 1 . 2]" 1
706 1 159 LYS HB2 1 160 PRO HD2 . . 2.247 2.246 1.949 2.330 0.083 9 0 "[ . 1 . 2]" 1
707 1 159 LYS HB3 1 160 PRO HD2 . . 3.059 2.999 2.925 3.076 0.017 15 0 "[ . 1 . 2]" 1
708 1 159 LYS HB3 1 160 PRO HD3 . . 4.210 4.038 3.961 4.104 . 0 0 "[ . 1 . 2]" 1
709 1 159 LYS CB 1 160 PRO HD2 . . 2.784 2.783 2.626 2.836 0.052 9 0 "[ . 1 . 2]" 1
710 1 160 PRO QB 1 168 PRO HD3 . . 2.360 1.985 1.786 2.344 . 0 0 "[ . 1 . 2]" 1
711 1 160 PRO CB 1 168 PRO HD3 . . 2.783 2.505 2.406 2.723 . 0 0 "[ . 1 . 2]" 1
712 1 160 PRO HG3 1 168 PRO HD3 . . 2.548 2.371 1.923 2.767 0.219 13 0 "[ . 1 . 2]" 1
713 1 160 PRO HG2 1 168 PRO HD3 . . 3.343 2.923 2.802 3.143 . 0 0 "[ . 1 . 2]" 1
714 1 160 PRO HG3 1 168 PRO HG3 . . 3.151 2.953 2.749 3.329 0.178 13 0 "[ . 1 . 2]" 1
715 1 160 PRO QB 1 168 PRO HB3 . . 2.047 1.895 1.782 2.064 0.017 15 0 "[ . 1 . 2]" 1
716 1 87 HIS HB3 1 88 LEU MD2 . . 4.764 4.688 4.355 4.793 0.029 6 0 "[ . 1 . 2]" 1
717 1 117 SER HB2 1 120 GLU HB3 . . 2.358 2.660 2.601 2.806 0.448 10 0 "[ . 1 . 2]" 1
718 1 117 SER HB3 1 120 GLU HB3 . . 3.001 1.884 1.793 1.926 . 0 0 "[ . 1 . 2]" 1
719 1 117 SER HB3 1 120 GLU HB2 . . 2.340 1.930 1.904 2.007 . 0 0 "[ . 1 . 2]" 1
720 1 117 SER HB2 1 120 GLU HB2 . . 2.552 2.899 2.830 2.953 0.401 10 0 "[ . 1 . 2]" 1
721 1 117 SER CB 1 120 GLU HB3 . . 3.048 2.686 2.616 2.719 . 0 0 "[ . 1 . 2]" 1
722 1 117 SER HB2 1 120 GLU CB . . 2.895 3.258 3.187 3.365 0.470 10 0 "[ . 1 . 2]" 1
723 1 117 SER HB2 1 120 GLU HG2 . . 3.428 3.854 3.698 3.971 0.543 20 3 "[ . * . - +]" 1
724 1 117 SER HB2 1 120 GLU HG3 . . 4.652 4.754 4.683 4.852 0.201 10 0 "[ . 1 . 2]" 1
725 1 117 SER HB2 1 121 GLN HB3 . . 5.608 5.864 5.736 6.332 0.724 18 2 "[ . 1 . + -]" 1
726 1 116 PRO HG2 1 117 SER HB2 . . 3.301 3.332 3.234 3.420 0.119 10 0 "[ . 1 . 2]" 1
727 1 116 PRO HB2 1 117 SER HB2 . . 4.164 3.351 3.270 3.421 . 0 0 "[ . 1 . 2]" 1
728 1 144 ASN QB 1 146 ARG HG3 . . 2.790 3.238 3.121 3.351 0.561 14 2 "[ - . 1 +. 2]" 1
729 1 144 ASN QB 1 146 ARG CD . . 3.531 2.786 2.606 3.353 . 0 0 "[ . 1 . 2]" 1
730 1 116 PRO HB3 1 144 ASN QB . . 4.895 4.845 4.525 5.072 0.177 20 0 "[ . 1 . 2]" 1
731 1 116 PRO HD2 1 121 GLN HB3 . . 4.860 4.713 4.363 4.963 0.103 16 0 "[ . 1 . 2]" 1
732 1 116 PRO HD2 1 121 GLN HG2 . . 3.912 4.133 3.752 4.358 0.446 16 0 "[ . 1 . 2]" 1
733 1 116 PRO HB3 1 145 TYR HE2 . . 3.729 3.758 3.046 3.947 0.218 16 0 "[ . 1 . 2]" 1
734 1 116 PRO HB2 1 143 PRO QB . . 4.656 4.096 3.831 4.538 . 0 0 "[ . 1 . 2]" 1
735 1 101 LYS HB2 1 105 SER HB3 . . 2.714 2.571 2.407 2.727 0.013 2 0 "[ . 1 . 2]" 1
736 1 101 LYS HB2 1 105 SER CB . . 2.788 2.592 2.511 2.780 . 0 0 "[ . 1 . 2]" 1
737 1 101 LYS HB2 1 105 SER HB2 . . 2.316 2.053 1.963 2.343 0.027 13 0 "[ . 1 . 2]" 1
738 1 100 GLU HB3 1 101 LYS HG3 . . 2.550 2.639 2.583 2.694 0.144 15 0 "[ . 1 . 2]" 1
739 1 100 GLU HG2 1 101 LYS HE3 . . 3.917 3.905 3.767 3.975 0.058 13 0 "[ . 1 . 2]" 1
740 1 100 GLU HB3 1 101 LYS HD2 . . 4.659 4.628 4.492 4.691 0.032 14 0 "[ . 1 . 2]" 1
741 1 100 GLU HB3 1 107 GLN HB2 . . 4.393 4.447 3.977 4.587 0.194 7 0 "[ . 1 . 2]" 1
742 1 100 GLU CG 1 107 GLN HB2 . . 5.303 5.126 4.793 5.262 . 0 0 "[ . 1 . 2]" 1
743 1 100 GLU HB2 1 107 GLN CB . . 3.334 3.261 2.998 3.360 0.026 14 0 "[ . 1 . 2]" 1
744 1 107 GLN HG2 1 122 PHE HB3 . . 5.320 5.067 4.784 5.350 0.030 12 0 "[ . 1 . 2]" 1
745 1 107 GLN HG3 1 122 PHE HB3 . . 5.001 5.061 4.791 5.172 0.171 14 0 "[ . 1 . 2]" 1
746 1 100 GLU CG 1 101 LYS HG3 . . 3.502 3.282 3.108 3.561 0.059 13 0 "[ . 1 . 2]" 1
747 1 101 LYS HD2 1 105 SER HB3 . . 2.592 2.516 2.276 2.632 0.040 18 0 "[ . 1 . 2]" 1
748 1 101 LYS CD 1 105 SER HB3 . . 3.492 3.329 2.975 3.521 0.029 19 0 "[ . 1 . 2]" 1
749 1 125 ARG HG3 1 126 GLU HG3 . . 2.644 2.688 2.624 2.733 0.089 17 0 "[ . 1 . 2]" 1
750 1 125 ARG HB2 1 126 GLU HG3 . . 2.539 2.468 2.409 2.580 0.041 17 0 "[ . 1 . 2]" 1
751 1 125 ARG HB2 1 126 GLU HG2 . . 3.630 3.894 3.812 3.955 0.325 17 0 "[ . 1 . 2]" 1
752 1 125 ARG HB2 1 126 GLU CG . . 3.507 3.523 3.463 3.631 0.124 17 0 "[ . 1 . 2]" 1
753 1 125 ARG CG 1 126 GLU HG3 . . 3.266 3.280 3.250 3.336 0.070 17 0 "[ . 1 . 2]" 1
754 1 125 ARG HD3 1 126 GLU HG3 . . 3.247 3.266 3.232 3.296 0.049 8 0 "[ . 1 . 2]" 1
755 1 126 GLU HG2 1 169 ALA MB . . 3.733 3.194 3.088 3.336 . 0 0 "[ . 1 . 2]" 1
756 1 126 GLU HG2 1 169 ALA CB . . 3.634 3.723 3.645 3.842 0.208 17 0 "[ . 1 . 2]" 1
757 1 119 MET HB2 1 125 ARG HB3 . . 4.660 4.204 3.683 4.724 0.064 4 0 "[ . 1 . 2]" 1
758 1 119 MET HG3 1 125 ARG HB3 . . 3.864 3.446 2.427 4.099 0.235 17 0 "[ . 1 . 2]" 1
759 1 119 MET CG 1 125 ARG HB3 . . 4.328 3.995 3.320 4.367 0.039 3 0 "[ . 1 . 2]" 1
760 1 94 TYR HD1 1 134 GLU QG . . 4.126 3.831 1.978 5.068 0.942 12 1 "[ . 1 + . 2]" 1
761 1 89 PRO HB2 1 134 GLU QB . . 2.789 2.202 1.844 2.483 . 0 0 "[ . 1 . 2]" 1
762 1 89 PRO HB3 1 134 GLU QB . . 3.276 2.183 1.937 2.636 . 0 0 "[ . 1 . 2]" 1
763 1 89 PRO HG2 1 134 GLU QB . . 4.281 4.070 3.537 4.285 0.004 19 0 "[ . 1 . 2]" 1
764 1 94 TYR QB 1 134 GLU QG . . 4.659 3.458 2.136 4.004 . 0 0 "[ . 1 . 2]" 1
765 1 88 LEU HB3 1 89 PRO HD2 . . 2.345 2.678 2.524 2.776 0.431 20 0 "[ . 1 . 2]" 1
766 1 88 LEU CB 1 89 PRO HD3 . . 3.958 3.945 3.807 4.063 0.105 8 0 "[ . 1 . 2]" 1
767 1 88 LEU HB3 1 89 PRO HD3 . . 3.653 3.853 3.777 3.913 0.260 4 0 "[ . 1 . 2]" 1
768 1 89 PRO HD3 1 136 VAL HB . . 2.359 2.241 2.046 2.505 0.146 20 0 "[ . 1 . 2]" 1
769 1 89 PRO HG3 1 136 VAL HB . . 3.573 3.859 3.549 4.120 0.547 20 1 "[ . 1 . +]" 1
770 1 93 GLN HB2 1 94 TYR QB . . 3.848 3.898 3.339 4.317 0.469 14 0 "[ . 1 . 2]" 1
771 1 93 GLN HB2 1 94 TYR CB . . 4.044 4.140 3.973 4.570 0.526 20 1 "[ . 1 . +]" 1
772 1 155 LYS QB 1 156 GLU HB2 . . 3.670 3.869 3.675 4.374 0.704 13 1 "[ . 1 + . 2]" 1
773 1 155 LYS QB 1 156 GLU HB3 . . 4.655 3.447 3.138 3.521 . 0 0 "[ . 1 . 2]" 1
774 1 154 LYS QG 1 155 LYS QB . . 3.649 4.241 3.227 4.961 1.312 4 12 "[***+** ** * .*-* 2]" 1
775 1 154 LYS QG 1 155 LYS QG . . 4.385 4.124 3.964 4.656 0.271 13 0 "[ . 1 . 2]" 1
776 1 154 LYS HE3 1 155 LYS QD . . 5.567 5.707 4.371 6.386 0.819 12 5 "[ - . * 1 + *. *2]" 1
777 1 153 ASP HB3 1 154 LYS QB . . 4.345 4.512 4.162 4.706 0.361 14 0 "[ . 1 . 2]" 1
778 1 154 LYS QD 1 155 LYS QD . . 5.045 5.310 4.368 5.602 0.557 5 6 "[ + * -* ** 2]" 1
779 1 154 LYS QB 1 157 TYR HE1 . . 2.866 2.534 2.332 2.767 . 0 0 "[ . 1 . 2]" 1
780 1 154 LYS QB 1 157 TYR HD1 . . 2.854 1.801 1.620 3.136 0.282 13 0 "[ . 1 . 2]" 1
781 1 154 LYS QG 1 157 TYR HD1 . . 4.065 3.520 2.986 4.137 0.072 20 0 "[ . 1 . 2]" 1
782 1 154 LYS CB 1 157 TYR HD1 . . 3.916 2.807 2.699 3.876 . 0 0 "[ . 1 . 2]" 1
783 1 157 TYR HD1 1 162 ASP HB3 . . 2.316 1.937 1.799 2.139 . 0 0 "[ . 1 . 2]" 1
784 1 157 TYR HB3 1 162 ASP HB3 . . 2.324 2.321 2.070 2.889 0.565 13 1 "[ . 1 + . 2]" 1
785 1 157 TYR HB3 1 162 ASP HB2 . . 2.544 2.478 2.328 2.638 0.094 13 0 "[ . 1 . 2]" 1
786 1 157 TYR CB 1 162 ASP HB3 . . 3.028 2.898 2.669 3.461 0.433 13 0 "[ . 1 . 2]" 1
787 1 157 TYR HB3 1 162 ASP CB . . 2.894 2.678 2.555 3.102 0.208 13 0 "[ . 1 . 2]" 1
788 1 154 LYS QB 1 162 ASP HB3 . . 3.781 3.522 3.148 3.962 0.181 4 0 "[ . 1 . 2]" 1
789 1 104 PHE HZ 1 158 ARG HB3 . . 2.601 2.623 2.211 3.124 0.523 3 1 "[ + . 1 . 2]" 1
790 1 104 PHE HE2 1 158 ARG QD . . 4.106 3.466 2.407 4.436 0.330 17 0 "[ . 1 . 2]" 1
791 1 104 PHE HE2 1 158 ARG HB2 . . 3.505 3.349 2.929 3.777 0.272 2 0 "[ . 1 . 2]" 1
792 1 50 TYR QB 1 56 ALA CB . . 2.100 2.980 1.875 3.547 1.447 7 14 "[******+* 1 *-*.* * *]" 1
793 1 51 GLU QB 1 56 ALA HA . . 3.007 4.224 2.489 4.984 1.977 18 14 "[****-*** 1 ***.* + *]" 1
794 1 52 ARG HB3 1 55 PHE QB . . 3.329 2.065 1.745 2.496 . 0 0 "[ . 1 . 2]" 1
795 1 58 TYR QB 1 60 TYR HB2 . . 5.366 4.154 4.035 4.295 . 0 0 "[ . 1 . 2]" 1
796 1 58 TYR QB 1 76 LEU MD1 . . 5.161 3.566 1.868 4.832 . 0 0 "[ . 1 . 2]" 1
797 1 58 TYR HD2 1 59 MET H . . 4.109 3.839 3.025 4.209 0.100 13 0 "[ . 1 . 2]" 1
798 1 58 TYR H 1 58 TYR HD2 . . 3.430 2.766 1.963 4.381 0.951 10 6 "[ . *+* - * *2]" 1
799 1 8 ILE H 1 8 ILE HA . . 3.000 2.934 2.932 2.936 . 0 0 "[ . 1 . 2]" 1
800 1 9 THR H 1 9 THR HA . . 3.000 2.941 2.936 2.946 . 0 0 "[ . 1 . 2]" 1
801 1 10 PHE H 1 10 PHE HA . . 3.000 2.942 2.926 2.948 . 0 0 "[ . 1 . 2]" 1
802 1 11 TYR H 1 11 TYR HA . . 3.000 2.947 2.945 2.948 . 0 0 "[ . 1 . 2]" 1
803 1 21 TYR H 1 21 TYR HA . . 3.000 2.947 2.945 2.948 . 0 0 "[ . 1 . 2]" 1
804 1 22 ASP H 1 22 ASP HA . . 3.000 2.947 2.944 2.948 . 0 0 "[ . 1 . 2]" 1
805 1 23 CYS H 1 23 CYS HA . . 3.000 2.862 2.841 2.923 . 0 0 "[ . 1 . 2]" 1
806 1 39 SER H 1 39 SER HA . . 3.000 2.945 2.938 2.948 . 0 0 "[ . 1 . 2]" 1
807 1 40 ILE H 1 40 ILE HA . . 3.000 2.947 2.943 2.949 . 0 0 "[ . 1 . 2]" 1
808 1 41 LYS H 1 41 LYS HA . . 3.000 2.921 2.913 2.927 . 0 0 "[ . 1 . 2]" 1
809 1 42 VAL H 1 42 VAL HA . . 3.000 2.940 2.934 2.947 . 0 0 "[ . 1 . 2]" 1
810 1 46 THR H 1 46 THR HA . . 3.000 2.874 2.825 2.900 . 0 0 "[ . 1 . 2]" 1
811 1 47 TRP H 1 47 TRP HA . . 3.000 2.925 2.913 2.940 . 0 0 "[ . 1 . 2]" 1
812 1 48 ALA H 1 48 ALA HA . . 3.000 2.918 2.903 2.932 . 0 0 "[ . 1 . 2]" 1
813 1 49 VAL H 1 49 VAL HA . . 3.000 2.946 2.941 2.949 . 0 0 "[ . 1 . 2]" 1
814 1 50 TYR H 1 50 TYR HA . . 3.000 2.929 2.907 2.948 . 0 0 "[ . 1 . 2]" 1
815 1 59 MET H 1 59 MET HA . . 3.000 2.831 2.781 2.898 . 0 0 "[ . 1 . 2]" 1
816 1 60 TYR H 1 60 TYR HA . . 3.000 2.867 2.814 2.929 . 0 0 "[ . 1 . 2]" 1
817 1 61 ILE H 1 61 ILE HA . . 3.000 2.914 2.863 2.943 . 0 0 "[ . 1 . 2]" 1
818 1 62 LEU H 1 62 LEU HA . . 3.000 2.893 2.880 2.907 . 0 0 "[ . 1 . 2]" 1
819 1 70 TYR H 1 70 TYR HA . . 3.000 2.790 2.757 2.845 . 0 0 "[ . 1 . 2]" 1
820 1 71 GLN H 1 71 GLN HA . . 3.000 2.850 2.758 2.912 . 0 0 "[ . 1 . 2]" 1
821 1 72 ARG H 1 72 ARG HA . . 3.000 2.837 2.807 2.862 . 0 0 "[ . 1 . 2]" 1
822 1 73 TRP H 1 73 TRP HA . . 3.000 2.934 2.884 2.948 . 0 0 "[ . 1 . 2]" 1
823 1 83 CYS H 1 83 CYS HA . . 3.000 2.943 2.929 2.948 . 0 0 "[ . 1 . 2]" 1
824 1 84 ARG H 1 84 ARG HA . . 3.000 2.942 2.919 2.948 . 0 0 "[ . 1 . 2]" 1
825 1 85 ALA H 1 85 ALA HA . . 3.000 2.808 2.742 2.880 . 0 0 "[ . 1 . 2]" 1
826 1 86 VAL H 1 86 VAL HA . . 3.000 2.948 2.946 2.950 . 0 0 "[ . 1 . 2]" 1
827 1 96 ILE H 1 96 ILE HA . . 3.000 2.907 2.900 2.912 . 0 0 "[ . 1 . 2]" 1
828 1 97 GLN H 1 97 GLN HA . . 3.000 2.942 2.938 2.946 . 0 0 "[ . 1 . 2]" 1
829 1 98 ILE H 1 98 ILE HA . . 3.000 2.939 2.900 2.948 . 0 0 "[ . 1 . 2]" 1
830 1 99 PHE H 1 99 PHE HA . . 3.000 2.945 2.937 2.947 . 0 0 "[ . 1 . 2]" 1
831 1 108 MET H 1 108 MET HA . . 3.000 2.942 2.934 2.947 . 0 0 "[ . 1 . 2]" 1
832 1 109 TYR H 1 109 TYR HA . . 3.000 2.919 2.891 2.938 . 0 0 "[ . 1 . 2]" 1
833 1 110 GLU H 1 110 GLU HA . . 3.000 2.947 2.944 2.948 . 0 0 "[ . 1 . 2]" 1
834 1 118 ILE H 1 118 ILE HA . . 3.000 2.781 2.744 2.831 . 0 0 "[ . 1 . 2]" 1
835 1 119 MET H 1 119 MET HA . . 3.000 2.900 2.895 2.912 . 0 0 "[ . 1 . 2]" 1
836 1 120 GLU H 1 120 GLU HA . . 3.000 2.831 2.810 2.854 . 0 0 "[ . 1 . 2]" 1
837 1 121 GLN H 1 121 GLN HA . . 3.000 2.946 2.945 2.947 . 0 0 "[ . 1 . 2]" 1
838 1 129 SER H 1 129 SER HA . . 3.000 2.937 2.895 2.944 . 0 0 "[ . 1 . 2]" 1
839 1 130 CYS H 1 130 CYS HA . . 3.000 2.915 2.885 2.940 . 0 0 "[ . 1 . 2]" 1
840 1 131 LYS H 1 131 LYS HA . . 3.000 2.943 2.912 2.949 . 0 0 "[ . 1 . 2]" 1
841 1 137 TRP H 1 137 TRP HA . . 3.000 2.915 2.885 2.943 . 0 0 "[ . 1 . 2]" 1
842 1 138 ILE H 1 138 ILE HA . . 3.000 2.943 2.922 2.948 . 0 0 "[ . 1 . 2]" 1
843 1 139 PHE H 1 139 PHE HA . . 3.000 2.938 2.925 2.947 . 0 0 "[ . 1 . 2]" 1
844 1 149 GLN H 1 149 GLN HA . . 3.000 2.899 2.850 2.928 . 0 0 "[ . 1 . 2]" 1
845 1 150 TYR H 1 150 TYR HA . . 3.000 2.935 2.900 2.948 . 0 0 "[ . 1 . 2]" 1
846 1 151 LEU H 1 151 LEU HA . . 3.000 2.860 2.797 2.914 . 0 0 "[ . 1 . 2]" 1
847 1 161 ILE H 1 161 ILE HA . . 3.000 2.842 2.776 2.889 . 0 0 "[ . 1 . 2]" 1
848 1 162 ASP H 1 162 ASP HA . . 3.000 2.858 2.820 2.871 . 0 0 "[ . 1 . 2]" 1
849 1 163 TRP H 1 163 TRP HA . . 3.000 2.916 2.832 2.947 . 0 0 "[ . 1 . 2]" 1
850 1 172 SER H 1 172 SER HA . . 3.000 2.915 2.761 2.949 . 0 0 "[ . 1 . 2]" 1
851 1 173 PHE H 1 173 PHE HA . . 3.000 2.913 2.886 2.927 . 0 0 "[ . 1 . 2]" 1
852 1 174 ARG H 1 174 ARG HA . . 3.000 2.929 2.907 2.942 . 0 0 "[ . 1 . 2]" 1
853 1 1 MET H1 1 1 MET QB . . 3.500 2.901 2.164 3.406 . 0 0 "[ . 1 . 2]" 1
854 1 2 SER H 1 2 SER QB . . 3.500 3.024 2.699 3.412 . 0 0 "[ . 1 . 2]" 1
855 1 3 LYS H 1 3 LYS QB . . 3.500 2.616 2.143 3.350 . 0 0 "[ . 1 . 2]" 1
856 1 4 THR H 1 4 THR HB . . 3.500 3.220 2.546 3.835 0.335 4 0 "[ . 1 . 2]" 1
857 1 6 THR H 1 6 THR HB . . 3.000 3.646 3.639 3.652 0.652 18 20 [*********-*******+**] 1
858 1 7 LYS H 1 7 LYS QB . . 3.000 2.410 2.381 2.458 . 0 0 "[ . 1 . 2]" 1
859 1 8 ILE H 1 8 ILE HB . . 3.000 3.247 3.212 3.286 0.286 14 0 "[ . 1 . 2]" 1
860 1 9 THR H 1 9 THR HB . . 3.000 2.839 2.800 2.875 . 0 0 "[ . 1 . 2]" 1
861 1 10 PHE H 1 10 PHE QB . . 3.000 2.829 2.737 2.917 . 0 0 "[ . 1 . 2]" 1
862 1 11 TYR H 1 11 TYR QB . . 3.000 2.532 2.503 2.581 . 0 0 "[ . 1 . 2]" 1
863 1 12 GLU H 1 12 GLU QB . . 3.000 2.068 2.042 2.093 . 0 0 "[ . 1 . 2]" 1
864 1 13 ASP H 1 13 ASP QB . . 3.000 2.541 2.467 2.596 . 0 0 "[ . 1 . 2]" 1
865 1 14 LYS H 1 14 LYS QB . . 3.000 2.394 2.359 2.409 . 0 0 "[ . 1 . 2]" 1
866 1 15 ASN H 1 15 ASN QB . . 3.000 3.310 3.293 3.331 0.331 12 0 "[ . 1 . 2]" 1
867 1 16 PHE H 1 16 PHE QB . . 3.000 3.378 3.359 3.392 0.392 20 0 "[ . 1 . 2]" 1
868 1 17 GLN H 1 17 GLN QB . . 3.000 2.656 2.606 2.707 . 0 0 "[ . 1 . 2]" 1
869 1 19 ARG H 1 19 ARG QB . . 3.000 2.052 2.047 2.058 . 0 0 "[ . 1 . 2]" 1
870 1 20 ARG H 1 20 ARG QB . . 3.000 2.405 2.387 2.433 . 0 0 "[ . 1 . 2]" 1
871 1 21 TYR H 1 21 TYR QB . . 3.000 2.491 2.469 2.515 . 0 0 "[ . 1 . 2]" 1
872 1 22 ASP H 1 22 ASP QB . . 3.000 2.611 2.500 2.638 . 0 0 "[ . 1 . 2]" 1
873 1 23 CYS H 1 23 CYS QB . . 3.000 2.854 2.708 2.887 . 0 0 "[ . 1 . 2]" 1
874 1 24 ASP H 1 24 ASP QB . . 3.000 2.747 2.668 2.979 . 0 0 "[ . 1 . 2]" 1
875 1 25 CYS H 1 25 CYS QB . . 3.000 2.442 2.387 2.556 . 0 0 "[ . 1 . 2]" 1
876 1 26 ASP H 1 26 ASP QB . . 3.000 2.390 2.326 2.513 . 0 0 "[ . 1 . 2]" 1
877 1 27 CYS H 1 27 CYS QB . . 3.000 2.808 2.384 3.005 0.005 12 0 "[ . 1 . 2]" 1
878 1 28 ALA H 1 28 ALA MB . . 3.000 2.061 2.035 2.075 . 0 0 "[ . 1 . 2]" 1
879 1 29 ASP H 1 29 ASP QB . . 3.000 2.554 2.541 2.571 . 0 0 "[ . 1 . 2]" 1
880 1 30 PHE H 1 30 PHE QB . . 3.000 2.120 2.106 2.141 . 0 0 "[ . 1 . 2]" 1
881 1 31 HIS H 1 31 HIS QB . . 3.000 2.264 2.249 2.287 . 0 0 "[ . 1 . 2]" 1
882 1 32 THR H 1 32 THR HB . . 3.000 2.712 2.549 2.788 . 0 0 "[ . 1 . 2]" 1
883 1 33 TYR H 1 33 TYR QB . . 3.000 2.484 2.453 2.599 . 0 0 "[ . 1 . 2]" 1
884 1 34 LEU H 1 34 LEU QB . . 3.000 2.645 2.604 2.681 . 0 0 "[ . 1 . 2]" 1
885 1 35 SER H 1 35 SER QB . . 3.000 2.321 2.273 2.364 . 0 0 "[ . 1 . 2]" 1
886 1 36 ARG H 1 36 ARG QB . . 3.000 2.393 2.314 2.463 . 0 0 "[ . 1 . 2]" 1
887 1 37 CYS H 1 37 CYS QB . . 3.000 2.983 2.640 3.097 0.097 3 0 "[ . 1 . 2]" 1
888 1 38 ASN H 1 38 ASN QB . . 3.000 2.184 2.070 2.340 . 0 0 "[ . 1 . 2]" 1
889 1 39 SER H 1 39 SER QB . . 3.000 3.021 2.944 3.121 0.121 12 0 "[ . 1 . 2]" 1
890 1 40 ILE H 1 40 ILE HB . . 3.000 2.527 2.468 2.570 . 0 0 "[ . 1 . 2]" 1
891 1 41 LYS H 1 41 LYS QB . . 3.000 3.184 3.167 3.207 0.207 20 0 "[ . 1 . 2]" 1
892 1 42 VAL H 1 42 VAL HB . . 3.000 2.324 2.303 2.378 . 0 0 "[ . 1 . 2]" 1
893 1 43 GLU H 1 43 GLU QB . . 3.000 2.607 2.579 2.642 . 0 0 "[ . 1 . 2]" 1
894 1 46 THR H 1 46 THR HB . . 3.000 2.807 2.633 2.922 . 0 0 "[ . 1 . 2]" 1
895 1 47 TRP H 1 47 TRP QB . . 3.000 2.605 2.510 2.657 . 0 0 "[ . 1 . 2]" 1
896 1 48 ALA H 1 48 ALA MB . . 3.000 2.153 2.124 2.194 . 0 0 "[ . 1 . 2]" 1
897 1 49 VAL H 1 49 VAL HB . . 3.000 3.766 3.668 3.832 0.832 16 20 [***************+*-**] 1
898 1 50 TYR H 1 50 TYR QB . . 3.000 2.336 2.253 2.500 . 0 0 "[ . 1 . 2]" 1
899 1 51 GLU H 1 51 GLU QB . . 3.000 2.238 2.180 2.272 . 0 0 "[ . 1 . 2]" 1
900 1 52 ARG H 1 52 ARG QB . . 3.000 2.151 2.059 2.253 . 0 0 "[ . 1 . 2]" 1
901 1 54 ASN H 1 54 ASN QB . . 3.000 3.029 2.987 3.164 0.164 11 0 "[ . 1 . 2]" 1
902 1 55 PHE H 1 55 PHE QB . . 3.000 2.746 2.505 3.123 0.123 11 0 "[ . 1 . 2]" 1
903 1 56 ALA H 1 56 ALA MB . . 3.000 2.812 2.740 2.889 . 0 0 "[ . 1 . 2]" 1
904 1 57 TRP H 1 57 TRP QB . . 3.000 2.136 2.050 2.321 . 0 0 "[ . 1 . 2]" 1
905 1 58 TYR H 1 58 TYR QB . . 3.000 2.670 2.562 2.946 . 0 0 "[ . 1 . 2]" 1
906 1 59 MET H 1 59 MET QB . . 3.000 2.404 2.290 2.577 . 0 0 "[ . 1 . 2]" 1
907 1 60 TYR H 1 60 TYR QB . . 3.000 2.853 2.676 2.962 . 0 0 "[ . 1 . 2]" 1
908 1 61 ILE H 1 61 ILE HB . . 3.000 2.550 2.293 2.755 . 0 0 "[ . 1 . 2]" 1
909 1 62 LEU H 1 62 LEU QB . . 3.000 2.107 2.082 2.156 . 0 0 "[ . 1 . 2]" 1
910 1 64 GLN H 1 64 GLN QB . . 3.000 2.149 2.111 2.217 . 0 0 "[ . 1 . 2]" 1
911 1 66 GLU H 1 66 GLU QB . . 3.000 2.728 2.680 2.799 . 0 0 "[ . 1 . 2]" 1
912 1 67 TYR H 1 67 TYR QB . . 3.000 2.898 2.828 2.953 . 0 0 "[ . 1 . 2]" 1
913 1 69 GLU H 1 69 GLU QB . . 3.000 2.841 2.805 2.877 . 0 0 "[ . 1 . 2]" 1
914 1 70 TYR H 1 70 TYR QB . . 3.000 2.506 2.414 2.632 . 0 0 "[ . 1 . 2]" 1
915 1 71 GLN H 1 71 GLN QB . . 3.000 2.694 2.563 2.788 . 0 0 "[ . 1 . 2]" 1
916 1 72 ARG H 1 72 ARG QB . . 3.000 2.515 2.417 2.618 . 0 0 "[ . 1 . 2]" 1
917 1 73 TRP H 1 73 TRP QB . . 3.000 3.031 2.644 3.242 0.242 18 0 "[ . 1 . 2]" 1
918 1 74 MET H 1 74 MET QB . . 3.000 3.118 2.781 3.473 0.473 3 0 "[ . 1 . 2]" 1
919 1 76 LEU H 1 76 LEU QB . . 3.000 2.272 2.030 3.175 0.175 2 0 "[ . 1 . 2]" 1
920 1 77 ASN H 1 77 ASN QB . . 3.000 2.590 2.154 2.813 . 0 0 "[ . 1 . 2]" 1
921 1 78 ASP H 1 78 ASP QB . . 3.000 2.736 2.347 3.214 0.214 5 0 "[ . 1 . 2]" 1
922 1 79 ARG H 1 79 ARG QB . . 3.000 2.358 2.297 2.402 . 0 0 "[ . 1 . 2]" 1
923 1 80 LEU H 1 80 LEU QB . . 3.000 2.093 2.020 2.199 . 0 0 "[ . 1 . 2]" 1
924 1 81 SER H 1 81 SER QB . . 3.000 2.995 2.874 3.050 0.050 5 0 "[ . 1 . 2]" 1
925 1 82 SER H 1 82 SER QB . . 3.000 2.914 2.756 2.983 . 0 0 "[ . 1 . 2]" 1
926 1 83 CYS H 1 83 CYS QB . . 3.000 2.962 2.736 3.131 0.131 19 0 "[ . 1 . 2]" 1
927 1 84 ARG H 1 84 ARG QB . . 3.000 2.815 2.706 2.997 . 0 0 "[ . 1 . 2]" 1
928 1 85 ALA H 1 85 ALA MB . . 3.000 2.142 2.061 2.271 . 0 0 "[ . 1 . 2]" 1
929 1 86 VAL H 1 86 VAL HB . . 3.000 2.517 2.422 2.603 . 0 0 "[ . 1 . 2]" 1
930 1 87 HIS H 1 87 HIS QB . . 3.000 2.614 2.542 2.663 . 0 0 "[ . 1 . 2]" 1
931 1 88 LEU H 1 88 LEU QB . . 3.000 2.893 2.815 2.950 . 0 0 "[ . 1 . 2]" 1
932 1 90 SER H 1 90 SER QB . . 3.000 2.283 2.095 2.479 . 0 0 "[ . 1 . 2]" 1
933 1 93 GLN H 1 93 GLN QB . . 3.000 3.007 2.876 3.450 0.450 14 0 "[ . 1 . 2]" 1
934 1 94 TYR H 1 94 TYR QB . . 3.000 2.701 2.238 3.129 0.129 12 0 "[ . 1 . 2]" 1
935 1 95 LYS H 1 95 LYS QB . . 3.000 2.434 2.262 2.507 . 0 0 "[ . 1 . 2]" 1
936 1 96 ILE H 1 96 ILE HB . . 3.000 3.193 2.961 3.333 0.333 5 0 "[ . 1 . 2]" 1
937 1 97 GLN H 1 97 GLN QB . . 3.000 2.294 2.260 2.354 . 0 0 "[ . 1 . 2]" 1
938 1 98 ILE H 1 98 ILE HB . . 3.000 2.772 2.446 3.684 0.684 6 1 "[ .+ 1 . 2]" 1
939 1 99 PHE H 1 99 PHE QB . . 3.000 2.514 2.460 2.569 . 0 0 "[ . 1 . 2]" 1
940 1 100 GLU H 1 100 GLU QB . . 3.000 2.264 2.246 2.302 . 0 0 "[ . 1 . 2]" 1
941 1 101 LYS H 1 101 LYS QB . . 3.000 2.631 2.581 2.717 . 0 0 "[ . 1 . 2]" 1
942 1 103 ASP H 1 103 ASP QB . . 3.000 2.970 2.776 3.008 0.008 8 0 "[ . 1 . 2]" 1
943 1 104 PHE H 1 104 PHE QB . . 3.000 3.387 3.342 3.421 0.421 7 0 "[ . 1 . 2]" 1
944 1 105 SER H 1 105 SER QB . . 3.000 2.428 2.355 2.604 . 0 0 "[ . 1 . 2]" 1
945 1 107 GLN H 1 107 GLN QB . . 3.000 2.241 2.191 2.321 . 0 0 "[ . 1 . 2]" 1
946 1 108 MET H 1 108 MET QB . . 3.000 2.353 2.221 2.553 . 0 0 "[ . 1 . 2]" 1
947 1 109 TYR H 1 109 TYR QB . . 3.000 2.664 2.561 2.788 . 0 0 "[ . 1 . 2]" 1
948 1 110 GLU H 1 110 GLU QB . . 3.000 2.957 2.905 3.015 0.015 4 0 "[ . 1 . 2]" 1
949 1 111 THR H 1 111 THR HB . . 3.000 3.000 2.820 3.182 0.182 4 0 "[ . 1 . 2]" 1
950 1 112 THR H 1 112 THR HB . . 3.000 3.224 2.984 3.395 0.395 1 0 "[ . 1 . 2]" 1
951 1 113 GLU H 1 113 GLU QB . . 3.000 2.943 2.762 3.110 0.110 8 0 "[ . 1 . 2]" 1
952 1 114 ASP H 1 114 ASP QB . . 3.000 2.394 2.051 2.967 . 0 0 "[ . 1 . 2]" 1
953 1 115 CYS H 1 115 CYS QB . . 3.000 2.821 2.628 3.159 0.159 11 0 "[ . 1 . 2]" 1
954 1 117 SER H 1 117 SER QB . . 3.000 2.709 2.637 2.762 . 0 0 "[ . 1 . 2]" 1
955 1 118 ILE H 1 118 ILE HB . . 3.000 2.193 2.159 2.254 . 0 0 "[ . 1 . 2]" 1
956 1 119 MET H 1 119 MET QB . . 3.000 2.314 2.156 2.850 . 0 0 "[ . 1 . 2]" 1
957 1 120 GLU H 1 120 GLU QB . . 3.000 2.166 2.114 2.226 . 0 0 "[ . 1 . 2]" 1
958 1 121 GLN H 1 121 GLN QB . . 3.000 2.516 2.422 3.014 0.014 4 0 "[ . 1 . 2]" 1
959 1 122 PHE H 1 122 PHE QB . . 3.000 2.488 2.362 2.551 . 0 0 "[ . 1 . 2]" 1
960 1 123 HIS H 1 123 HIS QB . . 3.500 3.399 3.081 3.476 . 0 0 "[ . 1 . 2]" 1
961 1 124 MET H 1 124 MET QB . . 3.000 2.340 2.227 2.428 . 0 0 "[ . 1 . 2]" 1
962 1 125 ARG H 1 125 ARG QB . . 3.000 2.757 2.682 3.026 0.026 3 0 "[ . 1 . 2]" 1
963 1 126 GLU H 1 126 GLU QB . . 3.000 2.839 2.795 2.877 . 0 0 "[ . 1 . 2]" 1
964 1 127 ILE H 1 127 ILE HB . . 3.000 2.618 2.292 2.726 . 0 0 "[ . 1 . 2]" 1
965 1 128 HIS H 1 128 HIS QB . . 3.000 2.256 2.061 2.416 . 0 0 "[ . 1 . 2]" 1
966 1 129 SER H 1 129 SER QB . . 3.000 2.849 2.512 3.144 0.144 6 0 "[ . 1 . 2]" 1
967 1 130 CYS H 1 130 CYS QB . . 3.000 2.763 2.548 3.204 0.204 12 0 "[ . 1 . 2]" 1
968 1 131 LYS H 1 131 LYS QB . . 3.000 2.305 2.185 2.392 . 0 0 "[ . 1 . 2]" 1
969 1 132 VAL H 1 132 VAL HB . . 3.000 3.768 3.749 3.802 0.802 14 20 [***-*********+******] 1
970 1 133 LEU H 1 133 LEU QB . . 3.000 3.054 2.942 3.375 0.375 14 0 "[ . 1 . 2]" 1
971 1 134 GLU H 1 134 GLU QB . . 3.000 2.300 2.101 2.845 . 0 0 "[ . 1 . 2]" 1
972 1 136 VAL H 1 136 VAL HB . . 3.000 3.011 2.808 3.210 0.210 2 0 "[ . 1 . 2]" 1
973 1 137 TRP H 1 137 TRP QB . . 3.000 2.704 2.528 2.775 . 0 0 "[ . 1 . 2]" 1
974 1 138 ILE H 1 138 ILE HB . . 3.000 2.809 2.656 3.011 0.011 15 0 "[ . 1 . 2]" 1
975 1 139 PHE H 1 139 PHE QB . . 3.000 2.324 2.215 2.552 . 0 0 "[ . 1 . 2]" 1
976 1 140 TYR H 1 140 TYR QB . . 3.000 2.509 2.276 2.737 . 0 0 "[ . 1 . 2]" 1
977 1 141 GLU H 1 141 GLU QB . . 3.000 2.099 2.043 2.260 . 0 0 "[ . 1 . 2]" 1
978 1 142 LEU H 1 142 LEU QB . . 3.000 2.322 2.189 2.373 . 0 0 "[ . 1 . 2]" 1
979 1 144 ASN H 1 144 ASN QB . . 3.000 2.935 2.778 3.469 0.469 7 0 "[ . 1 . 2]" 1
980 1 145 TYR H 1 145 TYR QB . . 3.000 3.021 2.858 3.191 0.191 14 0 "[ . 1 . 2]" 1
981 1 146 ARG H 1 146 ARG QB . . 3.000 2.468 2.389 2.706 . 0 0 "[ . 1 . 2]" 1
982 1 148 ARG H 1 148 ARG QB . . 3.000 2.346 2.182 2.485 . 0 0 "[ . 1 . 2]" 1
983 1 149 GLN H 1 149 GLN QB . . 3.000 2.311 2.108 2.947 . 0 0 "[ . 1 . 2]" 1
984 1 150 TYR H 1 150 TYR QB . . 3.000 2.683 2.574 2.862 . 0 0 "[ . 1 . 2]" 1
985 1 151 LEU H 1 151 LEU QB . . 3.000 2.169 2.059 2.216 . 0 0 "[ . 1 . 2]" 1
986 1 152 LEU H 1 152 LEU QB . . 3.000 2.183 2.116 2.268 . 0 0 "[ . 1 . 2]" 1
987 1 153 ASP H 1 153 ASP QB . . 3.000 2.874 2.842 2.893 . 0 0 "[ . 1 . 2]" 1
988 1 154 LYS H 1 154 LYS QB . . 3.000 2.638 2.442 3.130 0.130 13 0 "[ . 1 . 2]" 1
989 1 155 LYS H 1 155 LYS QB . . 3.000 2.965 2.851 3.048 0.048 14 0 "[ . 1 . 2]" 1
990 1 156 GLU H 1 156 GLU QB . . 3.000 2.210 2.186 2.243 . 0 0 "[ . 1 . 2]" 1
991 1 157 TYR H 1 157 TYR QB . . 3.000 2.622 2.491 3.154 0.154 13 0 "[ . 1 . 2]" 1
992 1 158 ARG H 1 158 ARG QB . . 3.000 2.907 2.805 3.001 0.001 20 0 "[ . 1 . 2]" 1
993 1 159 LYS H 1 159 LYS QB . . 3.000 2.901 2.829 3.004 0.004 13 0 "[ . 1 . 2]" 1
994 1 161 ILE H 1 161 ILE HB . . 3.000 2.662 2.624 2.755 . 0 0 "[ . 1 . 2]" 1
995 1 162 ASP H 1 162 ASP QB . . 3.000 2.101 2.068 2.160 . 0 0 "[ . 1 . 2]" 1
996 1 163 TRP H 1 163 TRP QB . . 3.000 2.463 2.094 3.107 0.107 16 0 "[ . 1 . 2]" 1
997 1 165 ALA H 1 165 ALA MB . . 3.000 2.182 2.051 2.270 . 0 0 "[ . 1 . 2]" 1
998 1 166 ALA H 1 166 ALA MB . . 3.000 2.191 2.154 2.235 . 0 0 "[ . 1 . 2]" 1
999 1 167 SER H 1 167 SER QB . . 3.000 2.670 2.473 3.155 0.155 7 0 "[ . 1 . 2]" 1
1000 1 169 ALA H 1 169 ALA MB . . 3.000 2.035 2.026 2.043 . 0 0 "[ . 1 . 2]" 1
1001 1 170 VAL H 1 170 VAL HB . . 3.000 3.112 3.001 3.249 0.249 7 0 "[ . 1 . 2]" 1
1002 1 171 GLN H 1 171 GLN QB . . 3.000 2.448 2.286 3.362 0.362 7 0 "[ . 1 . 2]" 1
1003 1 172 SER H 1 172 SER QB . . 3.000 2.689 2.051 2.923 . 0 0 "[ . 1 . 2]" 1
1004 1 173 PHE H 1 173 PHE QB . . 3.000 3.204 3.097 3.282 0.282 6 0 "[ . 1 . 2]" 1
1005 1 174 ARG H 1 174 ARG QB . . 3.000 2.924 2.570 3.263 0.263 1 0 "[ . 1 . 2]" 1
1006 1 175 ARG H 1 175 ARG QB . . 3.000 2.659 2.363 3.023 0.023 15 0 "[ . 1 . 2]" 1
1007 1 176 ILE H 1 176 ILE HB . . 3.000 2.876 2.678 3.033 0.033 2 0 "[ . 1 . 2]" 1
1008 1 177 VAL H 1 177 VAL HB . . 3.000 2.884 2.432 3.167 0.167 15 0 "[ . 1 . 2]" 1
1009 1 178 GLU H 1 178 GLU QB . . 3.000 2.672 2.369 3.083 0.083 17 0 "[ . 1 . 2]" 1
1010 1 1 MET H1 1 1 MET QG . . 3.500 2.937 2.112 3.497 . 0 0 "[ . 1 . 2]" 1
1011 1 3 LYS H 1 3 LYS QG . . 3.500 2.731 1.936 3.561 0.061 20 0 "[ . 1 . 2]" 1
1012 1 7 LYS H 1 7 LYS QG . . 3.500 3.638 3.626 3.647 0.147 8 0 "[ . 1 . 2]" 1
1013 1 12 GLU H 1 12 GLU QG . . 3.500 3.618 3.354 3.705 0.205 5 0 "[ . 1 . 2]" 1
1014 1 14 LYS H 1 14 LYS QG . . 3.500 2.279 2.239 2.361 . 0 0 "[ . 1 . 2]" 1
1015 1 17 GLN H 1 17 GLN QG . . 3.500 3.234 3.195 3.270 . 0 0 "[ . 1 . 2]" 1
1016 1 19 ARG H 1 19 ARG QG . . 3.500 3.543 3.491 3.583 0.083 13 0 "[ . 1 . 2]" 1
1017 1 20 ARG H 1 20 ARG QG . . 3.500 2.414 2.373 2.438 . 0 0 "[ . 1 . 2]" 1
1018 1 34 LEU H 1 34 LEU HG . . 3.500 4.562 4.499 4.644 1.144 5 20 [****+*-*************] 1
1019 1 36 ARG H 1 36 ARG QG . . 3.500 3.976 3.790 4.161 0.661 11 10 "[* *** -*1+* . * *]" 1
1020 1 41 LYS H 1 41 LYS QG . . 3.500 2.248 2.178 2.328 . 0 0 "[ . 1 . 2]" 1
1021 1 42 VAL H 1 42 VAL QG . . 3.500 2.999 2.948 3.040 . 0 0 "[ . 1 . 2]" 1
1022 1 43 GLU H 1 43 GLU QG . . 3.500 2.669 2.611 2.698 . 0 0 "[ . 1 . 2]" 1
1023 1 49 VAL H 1 49 VAL QG . . 3.500 1.968 1.777 2.183 . 0 0 "[ . 1 . 2]" 1
1024 1 51 GLU H 1 51 GLU QG . . 3.500 3.935 3.263 3.986 0.486 10 0 "[ . 1 . 2]" 1
1025 1 52 ARG H 1 52 ARG QG . . 3.500 3.583 2.902 3.948 0.448 16 0 "[ . 1 . 2]" 1
1026 1 59 MET H 1 59 MET QG . . 3.500 2.892 2.472 3.112 . 0 0 "[ . 1 . 2]" 1
1027 1 62 LEU H 1 62 LEU HG . . 3.500 3.940 3.832 4.079 0.579 19 5 "[ .- 1 * * * +2]" 1
1028 1 64 GLN H 1 64 GLN QG . . 3.500 3.525 3.482 3.591 0.091 11 0 "[ . 1 . 2]" 1
1029 1 66 GLU H 1 66 GLU QG . . 3.500 2.882 2.466 3.070 . 0 0 "[ . 1 . 2]" 1
1030 1 69 GLU H 1 69 GLU QG . . 3.500 3.346 3.270 3.411 . 0 0 "[ . 1 . 2]" 1
1031 1 71 GLN H 1 71 GLN QG . . 3.500 2.054 1.956 2.171 . 0 0 "[ . 1 . 2]" 1
1032 1 72 ARG H 1 72 ARG QG . . 3.500 2.048 1.865 2.242 . 0 0 "[ . 1 . 2]" 1
1033 1 74 MET H 1 74 MET QG . . 3.500 3.189 2.645 3.957 0.457 14 0 "[ . 1 . 2]" 1
1034 1 76 LEU H 1 76 LEU HG . . 3.500 3.454 1.711 4.105 0.605 11 3 "[ . 1+* . - 2]" 1
1035 1 79 ARG H 1 79 ARG QG . . 3.500 4.019 3.977 4.046 0.546 19 17 "[******* ** ***-**+*]" 1
1036 1 80 LEU H 1 80 LEU HG . . 3.500 4.020 3.686 4.322 0.822 2 12 "[ + ** * ***** .- **2]" 1
1037 1 84 ARG H 1 84 ARG QG . . 3.500 2.394 2.218 2.754 . 0 0 "[ . 1 . 2]" 1
1038 1 86 VAL H 1 86 VAL QG . . 3.500 2.838 2.663 3.026 . 0 0 "[ . 1 . 2]" 1
1039 1 88 LEU H 1 88 LEU HG . . 3.500 1.970 1.798 2.110 . 0 0 "[ . 1 . 2]" 1
1040 1 93 GLN H 1 93 GLN QG . . 3.500 2.938 2.453 3.153 . 0 0 "[ . 1 . 2]" 1
1041 1 95 LYS H 1 95 LYS QG . . 3.500 4.156 4.067 4.198 0.698 9 20 [********+**********-] 1
1042 1 97 GLN H 1 97 GLN QG . . 3.500 3.716 3.625 3.764 0.264 12 0 "[ . 1 . 2]" 1
1043 1 100 GLU H 1 100 GLU QG . . 3.500 3.979 3.964 4.001 0.501 20 1 "[ . 1 . +]" 1
1044 1 101 LYS H 1 101 LYS QG . . 3.500 2.143 1.900 2.556 . 0 0 "[ . 1 . 2]" 1
1045 1 107 GLN H 1 107 GLN QG . . 3.500 3.912 3.887 3.933 0.433 14 0 "[ . 1 . 2]" 1
1046 1 108 MET H 1 108 MET QG . . 3.500 3.632 3.030 3.779 0.279 16 0 "[ . 1 . 2]" 1
1047 1 110 GLU H 1 110 GLU QG . . 3.500 2.098 2.069 2.137 . 0 0 "[ . 1 . 2]" 1
1048 1 113 GLU H 1 113 GLU QG . . 3.500 2.880 2.399 3.493 . 0 0 "[ . 1 . 2]" 1
1049 1 131 LYS H 1 131 LYS QG . . 3.500 3.501 3.193 3.650 0.150 1 0 "[ . 1 . 2]" 1
1050 1 132 VAL H 1 132 VAL QG . . 3.500 2.630 2.529 2.671 . 0 0 "[ . 1 . 2]" 1
1051 1 133 LEU H 1 133 LEU HG . . 3.500 4.006 3.091 4.630 1.130 5 14 "[* **+** *- * **** *]" 1
1052 1 134 GLU H 1 134 GLU QG . . 3.500 3.548 2.503 3.962 0.462 10 0 "[ . 1 . 2]" 1
1053 1 136 VAL H 1 136 VAL QG . . 3.500 2.536 2.003 2.685 . 0 0 "[ . 1 . 2]" 1
1054 1 141 GLU H 1 141 GLU QG . . 3.500 3.766 3.616 3.952 0.452 18 0 "[ . 1 . 2]" 1
1055 1 142 LEU H 1 142 LEU HG . . 3.500 4.371 4.299 4.420 0.920 19 20 [***************-**+*] 1
1056 1 146 ARG H 1 146 ARG QG . . 3.500 3.308 2.596 3.399 . 0 0 "[ . 1 . 2]" 1
1057 1 148 ARG H 1 148 ARG QG . . 3.500 2.997 2.364 3.387 . 0 0 "[ . 1 . 2]" 1
1058 1 149 GLN H 1 149 GLN QG . . 3.500 2.893 1.670 3.708 0.208 8 0 "[ . 1 . 2]" 1
1059 1 151 LEU H 1 151 LEU HG . . 3.500 4.227 4.002 4.396 0.896 20 20 [*********-*********+] 1
1060 1 152 LEU H 1 152 LEU HG . . 3.500 3.848 3.758 3.950 0.450 19 0 "[ . 1 . 2]" 1
1061 1 154 LYS H 1 154 LYS QG . . 3.500 2.804 2.264 4.515 1.015 13 1 "[ . 1 + . 2]" 1
1062 1 155 LYS H 1 155 LYS QG . . 3.500 3.674 3.459 4.169 0.669 20 1 "[ . 1 . +]" 1
1063 1 156 GLU H 1 156 GLU QG . . 3.500 4.011 3.715 4.038 0.538 5 19 "[****+******* ******-]" 1
1064 1 158 ARG H 1 158 ARG QG . . 3.500 1.961 1.880 2.102 . 0 0 "[ . 1 . 2]" 1
1065 1 159 LYS H 1 159 LYS QG . . 3.500 1.899 1.846 2.021 . 0 0 "[ . 1 . 2]" 1
1066 1 170 VAL H 1 170 VAL QG . . 3.500 2.705 2.566 2.853 . 0 0 "[ . 1 . 2]" 1
1067 1 171 GLN H 1 171 GLN QG . . 3.500 3.721 3.161 4.049 0.549 16 1 "[ . 1 .+ 2]" 1
1068 1 174 ARG H 1 174 ARG QG . . 3.500 2.719 1.902 4.062 0.562 13 2 "[ . 1 +-. 2]" 1
1069 1 175 ARG H 1 175 ARG QG . . 3.500 2.288 1.666 3.555 0.055 7 0 "[ . 1 . 2]" 1
1070 1 177 VAL H 1 177 VAL QG . . 3.500 2.436 2.068 2.969 . 0 0 "[ . 1 . 2]" 1
1071 1 178 GLU H 1 178 GLU QG . . 3.500 2.278 1.940 3.116 . 0 0 "[ . 1 . 2]" 1
1072 1 3 LYS H 1 3 LYS QD . . 3.500 3.103 2.228 3.522 0.022 6 0 "[ . 1 . 2]" 1
1073 1 7 LYS H 1 7 LYS QD . . 3.500 4.706 4.678 4.758 1.258 11 20 [-*********+*********] 1
1074 1 14 LYS H 1 14 LYS QD . . 3.500 4.042 4.010 4.082 0.582 20 20 [*************-*****+] 1
1075 1 19 ARG H 1 19 ARG QD . . 3.500 3.473 3.229 3.533 0.033 5 0 "[ . 1 . 2]" 1
1076 1 20 ARG H 1 20 ARG QD . . 3.500 4.095 4.078 4.118 0.618 10 20 [*********+*******-**] 1
1077 1 34 LEU H 1 34 LEU QD . . 3.500 3.991 3.959 4.013 0.513 17 5 "[ * . 1 ** + -2]" 1
1078 1 36 ARG H 1 36 ARG QD . . 3.500 4.126 4.025 4.247 0.747 19 20 [***-**************+*] 1
1079 1 41 LYS H 1 41 LYS QD . . 3.500 4.110 4.038 4.191 0.691 16 20 [*-*************+****] 1
1080 1 52 ARG H 1 52 ARG QD . . 3.500 3.641 3.127 4.064 0.564 10 2 "[ -. + . 2]" 1
1081 1 62 LEU H 1 62 LEU QD . . 3.500 3.686 3.607 3.747 0.247 13 0 "[ . 1 . 2]" 1
1082 1 72 ARG H 1 72 ARG QD . . 3.500 3.532 3.426 3.655 0.155 13 0 "[ . 1 . 2]" 1
1083 1 76 LEU H 1 76 LEU QD . . 3.500 2.702 1.712 3.721 0.221 18 0 "[ . 1 . 2]" 1
1084 1 79 ARG H 1 79 ARG QD . . 3.500 4.358 4.240 4.543 1.043 4 20 [***+***************-] 1
1085 1 80 LEU H 1 80 LEU QD . . 3.500 3.216 3.024 3.346 . 0 0 "[ . 1 . 2]" 1
1086 1 84 ARG H 1 84 ARG QD . . 3.500 3.880 3.724 4.181 0.681 10 2 "[ . + .- 2]" 1
1087 1 88 LEU H 1 88 LEU QD . . 3.500 1.748 1.692 1.836 . 0 0 "[ . 1 . 2]" 1
1088 1 95 LYS H 1 95 LYS QD . . 3.500 4.242 4.076 4.308 0.808 17 20 [****************+**-] 1
1089 1 125 ARG H 1 125 ARG QD . . 3.500 3.874 3.844 3.940 0.440 3 0 "[ . 1 . 2]" 1
1090 1 131 LYS H 1 131 LYS QD . . 3.500 3.989 3.513 4.344 0.844 20 11 "[ ** * 1**- .****+]" 1
1091 1 133 LEU H 1 133 LEU QD . . 3.500 3.143 1.824 3.752 0.252 20 0 "[ . 1 . 2]" 1
1092 1 142 LEU H 1 142 LEU QD . . 3.500 2.699 2.573 2.869 . 0 0 "[ . 1 . 2]" 1
1093 1 146 ARG H 1 146 ARG QD . . 3.500 3.788 3.567 4.046 0.546 16 1 "[ . 1 .+ 2]" 1
1094 1 148 ARG H 1 148 ARG QD . . 3.500 2.369 1.852 3.389 . 0 0 "[ . 1 . 2]" 1
1095 1 150 TYR H 1 150 TYR QD . . 3.500 2.953 2.307 3.574 0.074 9 0 "[ . 1 . 2]" 1
1096 1 151 LEU H 1 151 LEU QD . . 3.500 3.730 3.556 3.786 0.286 11 0 "[ . 1 . 2]" 1
1097 1 152 LEU H 1 152 LEU QD . . 3.500 1.958 1.763 2.147 . 0 0 "[ . 1 . 2]" 1
1098 1 154 LYS H 1 154 LYS QD . . 3.500 4.010 3.680 4.369 0.869 20 8 "[** *.* 1 * .- * +]" 1
1099 1 155 LYS H 1 155 LYS QD . . 3.500 2.832 2.346 4.381 0.881 20 1 "[ . 1 . +]" 1
1100 1 158 ARG H 1 158 ARG QD . . 3.500 3.636 3.038 3.964 0.464 14 0 "[ . 1 . 2]" 1
1101 1 159 LYS H 1 159 LYS QD . . 3.500 3.865 3.807 3.931 0.431 13 0 "[ . 1 . 2]" 1
1102 1 174 ARG H 1 174 ARG QD . . 3.500 3.600 3.248 3.965 0.465 2 0 "[ . 1 . 2]" 1
1103 1 175 ARG H 1 175 ARG QD . . 3.500 3.134 1.825 3.711 0.211 9 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 110
_Distance_constraint_stats_list.Viol_count 1841
_Distance_constraint_stats_list.Viol_total 21091.160
_Distance_constraint_stats_list.Viol_max 2.782
_Distance_constraint_stats_list.Viol_rms 0.5430
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4793
_Distance_constraint_stats_list.Viol_average_violations_only 0.5728
_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 7 LYS 49.081 1.926 1 20 [+****************-**]
1 8 ILE 12.134 0.431 4 0 "[ . 1 . 2]"
1 9 THR 0.177 0.037 9 0 "[ . 1 . 2]"
1 10 PHE 0.181 0.073 16 0 "[ . 1 . 2]"
1 11 TYR 8.839 0.456 2 0 "[ . 1 . 2]"
1 12 GLU 17.277 0.879 9 20 [********+*******-***]
1 13 ASP 14.421 0.850 15 19 "[********-* ***+*****]"
1 14 LYS 0.224 0.053 11 0 "[ . 1 . 2]"
1 15 ASN 0.674 0.149 12 0 "[ . 1 . 2]"
1 16 PHE 2.583 0.170 13 0 "[ . 1 . 2]"
1 17 GLN 0.224 0.053 11 0 "[ . 1 . 2]"
1 19 ARG 16.991 0.879 9 20 [********+*******-***]
1 21 TYR 0.181 0.073 16 0 "[ . 1 . 2]"
1 23 CYS 12.134 0.431 4 0 "[ . 1 . 2]"
1 25 CYS 16.991 0.934 18 20 [******-**********+**]
1 26 ASP 16.991 0.934 18 20 [******-**********+**]
1 27 CYS 9.026 0.383 14 0 "[ . 1 . 2]"
1 28 ALA 16.391 1.032 10 20 [*********+*******-**]
1 29 ASP 12.554 0.719 9 20 [********+*******-***]
1 30 PHE 59.864 2.178 7 20 [******+***-*********]
1 31 HIS 41.403 1.511 14 20 [*************+**-***]
1 33 TYR 16.290 0.874 6 20 [*****+****-*********]
1 34 LEU 3.883 0.240 18 0 "[ . 1 . 2]"
1 36 ARG 14.014 0.850 15 19 "[********-* ***+*****]"
1 37 CYS 17.332 1.363 14 20 [*****-*******+******]
1 38 ASN 3.859 0.456 2 0 "[ . 1 . 2]"
1 39 SER 8.256 0.338 9 0 "[ . 1 . 2]"
1 40 ILE 1.619 0.112 17 0 "[ . 1 . 2]"
1 41 LYS 0.177 0.037 9 0 "[ . 1 . 2]"
1 42 VAL 15.139 0.732 10 20 [*********+*******-**]
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 49.081 1.926 1 20 [+****************-**]
1 46 THR 5.263 0.521 16 1 "[ . 1 .+ 2]"
1 47 TRP 7.545 0.269 14 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 19.196 0.768 18 17 "[********** ***.*-+ *]"
1 50 TYR 33.150 1.370 1 20 [+***-***************]
1 51 GLU 16.706 1.774 9 8 "[ - . +** ** * *2]"
1 52 ARG 7.084 0.482 18 0 "[ . 1 . 2]"
1 54 ASN 16.391 1.032 10 20 [*********+*******-**]
1 55 PHE 28.699 1.631 18 20 [**************-**+**]
1 58 TYR 16.706 1.774 9 8 "[ - . +** ** * *2]"
1 60 TYR 44.014 1.949 13 20 [************+***-***]
1 61 ILE 4.658 0.577 5 2 "[ + 1 - . 2]"
1 62 LEU 7.545 0.269 14 0 "[ . 1 . 2]"
1 63 PRO 1.612 0.149 5 0 "[ . 1 . 2]"
1 65 GLY 15.139 0.732 10 20 [*********+*******-**]
1 67 TYR 3.231 0.149 5 0 "[ . 1 . 2]"
1 68 PRO 0.674 0.149 12 0 "[ . 1 . 2]"
1 69 GLU 0.885 0.212 14 0 "[ . 1 . 2]"
1 70 TYR 18.824 1.089 14 12 "[****.* * 1 **+**- 2]"
1 71 GLN 5.207 0.441 3 0 "[ . 1 . 2]"
1 72 ARG 0.885 0.212 14 0 "[ . 1 . 2]"
1 73 TRP 6.729 0.845 13 4 "[ *- . 1 +*. 2]"
1 74 MET 5.207 0.441 3 0 "[ . 1 . 2]"
1 75 GLY 12.096 1.089 14 12 "[****.* * 1 **+**- 2]"
1 76 LEU 24.818 1.949 13 20 [************+****-**]
1 77 ASN 3.393 0.518 12 1 "[ . 1 + . 2]"
1 78 ASP 17.332 1.363 14 20 [*****-*******+******]
1 79 ARG 3.393 0.518 12 1 "[ . 1 + . 2]"
1 81 SER 77.528 2.178 7 20 [****-*+*************]
1 82 SER 59.944 1.631 18 20 [********-********+**]
1 83 CYS 9.026 0.383 14 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 5.263 0.521 16 1 "[ . 1 .+ 2]"
1 95 LYS 60.624 1.831 2 20 [*+*********-********]
1 96 ILE 10.714 0.557 8 3 "[ . -+ 1 . *]"
1 97 GLN 3.542 0.267 14 0 "[ . 1 . 2]"
1 98 ILE 0.737 0.122 6 0 "[ . 1 . 2]"
1 99 PHE 11.439 0.609 15 4 "[* -. *1 + 2]"
1 100 GLU 2.716 0.238 14 0 "[ . 1 . 2]"
1 101 LYS 7.106 0.958 13 4 "[ * . -1 + * 2]"
1 102 GLY 1.609 0.276 3 0 "[ . 1 . 2]"
1 103 ASP 11.186 0.761 15 16 "[*** * ****-* +*****]"
1 104 PHE 5.645 0.543 9 2 "[ . +1 - 2]"
1 105 SER 1.739 0.276 3 0 "[ . 1 . 2]"
1 107 GLN 2.716 0.238 14 0 "[ . 1 . 2]"
1 109 TYR 0.737 0.122 6 0 "[ . 1 . 2]"
1 111 THR 10.714 0.557 8 3 "[ . -+ 1 . *]"
1 114 ASP 5.708 0.499 5 0 "[ . 1 . 2]"
1 115 CYS 16.814 0.741 5 10 "[ * *+* - 1** * * *2]"
1 116 PRO 33.963 2.124 16 20 [*-*************+****]
1 117 SER 21.053 1.185 4 20 [***+***********-****]
1 118 ILE 15.643 1.480 20 10 "[ ***.*** - * .* +]"
1 119 MET 4.394 0.356 18 0 "[ . 1 . 2]"
1 120 GLU 20.197 1.185 4 20 [***+***********-****]
1 121 GLN 0.856 0.159 4 0 "[ . 1 . 2]"
1 122 PHE 4.680 0.429 20 0 "[ . 1 . 2]"
1 123 HIS 4.394 0.356 18 0 "[ . 1 . 2]"
1 125 ARG 6.960 0.548 16 1 "[ . 1 .+ 2]"
1 127 ILE 6.684 0.460 11 0 "[ . 1 . 2]"
1 128 HIS 7.477 0.609 15 4 "[* -. *1 + 2]"
1 129 SER 16.583 0.958 13 4 "[ * . -1 + * 2]"
1 130 CYS 45.895 2.782 13 20 [*******-****+*******]
1 131 LYS 3.542 0.267 14 0 "[ . 1 . 2]"
1 132 VAL 17.340 0.982 15 20 [****-*********+*****]
1 133 LEU 32.154 1.800 1 20 [+***-***************]
1 134 GLU 28.470 1.831 2 20 [*+*********-********]
1 137 TRP 53.831 2.550 20 20 [*********-*********+]
1 138 ILE 13.856 0.792 1 13 "[+ *. **1***** -***]"
1 139 PHE 12.793 0.554 19 6 "[ * . *-* . +*]"
1 140 TYR 42.318 1.654 7 20 [***-**+*************]
1 141 GLU 26.927 1.084 19 20 [************-*****+*]
1 142 LEU 32.191 1.879 2 20 [*+***-**************]
1 144 ASN 33.963 2.124 16 20 [*-*************+****]
1 145 TYR 37.569 2.278 2 20 [*+***-**************]
1 146 ARG 27.059 1.170 6 20 [*****+-*************]
1 148 ARG 26.927 1.084 19 20 [************-*****+*]
1 149 GLN 4.658 0.577 5 2 "[ + 1 - . 2]"
1 150 TYR 12.793 0.554 19 6 "[ * . *-* . +*]"
1 152 LEU 53.831 2.550 20 20 [*********-*********+]
1 153 ASP 9.694 0.893 13 6 "[ - ** + ** 2]"
1 155 LYS 54.562 2.782 13 20 [****-*******+*******]
1 156 GLU 16.719 1.040 2 19 "[-+********** *******]"
1 157 TYR 18.367 0.893 13 9 "[ - *** + *** *]"
1 158 ARG 27.905 1.040 2 19 "[*+********-* *******]"
1 159 LYS 8.591 0.529 12 3 "[ . 1*+ - 2]"
1 160 PRO 5.716 0.870 13 4 "[ . * 1 +-.* 2]"
1 161 ILE 9.392 0.605 15 7 "[** .* 1 * + -* 2]"
1 162 ASP 8.591 0.529 12 3 "[ . 1*+ - 2]"
1 163 TRP 5.716 0.870 13 4 "[ . * 1 +-.* 2]"
1 164 GLY 9.392 0.605 15 7 "[** .* 1 * + -* 2]"
1 168 PRO 6.684 0.460 11 0 "[ . 1 . 2]"
1 170 VAL 6.960 0.548 16 1 "[ . 1 .+ 2]"
1 171 GLN 65.120 2.188 18 20 [*********-*******+**]
1 172 SER 96.201 2.278 2 20 [*+*-****************]
1 173 PHE 16.814 0.741 5 10 "[ * *+* - 1** * * *2]"
1 174 ARG 18.108 0.792 1 13 "[+ *. **1***** -***]"
1 175 ARG 5.708 0.499 5 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 7 LYS H 1 44 GLY O . . 2.003 2.588 2.452 2.739 0.736 19 15 "[ ** * * *1*******-+*]" 2
2 1 8 ILE H 1 23 CYS O . . 2.002 2.291 1.803 2.381 0.379 5 0 "[ . 1 . 2]" 2
3 1 9 THR H 1 41 LYS O . . 1.975 1.872 1.766 2.012 0.037 9 0 "[ . 1 . 2]" 2
4 1 10 PHE H 1 21 TYR O . . 1.854 1.850 1.779 1.927 0.073 16 0 "[ . 1 . 2]" 2
5 1 11 TYR H 1 39 SER O . . 1.874 1.941 1.873 1.993 0.119 8 0 "[ . 1 . 2]" 2
6 1 12 GLU H 1 19 ARG O . . 1.747 2.597 2.567 2.626 0.879 9 20 [********+*******-***] 2
7 1 13 ASP H 1 17 GLN O . . 2.160 1.872 1.807 1.937 . 0 0 "[ . 1 . 2]" 2
8 1 15 ASN H 1 68 PRO O . . 1.879 1.894 1.755 2.028 0.149 12 0 "[ . 1 . 2]" 2
9 1 16 PHE H 1 39 SER OG . . 1.896 2.025 1.985 2.066 0.170 13 0 "[ . 1 . 2]" 2
10 1 14 LYS O 1 17 GLN H . . 2.530 2.459 2.315 2.583 0.053 11 0 "[ . 1 . 2]" 2
11 1 10 PHE O 1 21 TYR H . . 2.080 1.693 1.641 1.727 . 0 0 "[ . 1 . 2]" 2
12 1 8 ILE O 1 23 CYS H . . 1.867 2.171 1.884 2.298 0.431 4 0 "[ . 1 . 2]" 2
13 1 25 CYS HG 1 26 ASP O . . 2.287 3.137 2.990 3.221 0.934 18 20 [******-**********+**] 2
14 1 27 CYS H 1 83 CYS O . . 1.974 2.175 2.054 2.357 0.383 14 0 "[ . 1 . 2]" 2
15 1 30 PHE H 1 81 SER O . . 1.910 3.895 3.715 4.088 2.178 7 20 [******+-************] 2
16 1 29 ASP OD1 1 31 HIS H . . 2.512 3.140 3.035 3.231 0.719 9 20 [********+*******-***] 2
17 1 30 PHE O 1 33 TYR H . . 1.899 2.713 2.629 2.773 0.874 6 20 [*****+****-*********] 2
18 1 30 PHE O 1 34 LEU H . . 2.530 2.724 2.655 2.770 0.240 18 0 "[ . 1 . 2]" 2
19 1 12 GLU O 1 36 ARG HE . . 2.672 2.335 1.898 2.719 0.047 10 0 "[ . 1 . 2]" 2
20 1 13 ASP OD1 1 36 ARG HE . . 2.376 3.062 2.775 3.226 0.850 15 19 "[********-* ***+*****]" 2
21 1 37 CYS H 1 78 ASP O . . 1.863 2.730 2.376 3.226 1.363 14 20 [*****-*******+******] 2
22 1 11 TYR O 1 38 ASN H . . 2.035 2.227 2.017 2.491 0.456 2 0 "[ . 1 . 2]" 2
23 1 11 TYR O 1 39 SER H . . 2.356 2.538 2.447 2.694 0.338 9 0 "[ . 1 . 2]" 2
24 1 13 ASP O 1 39 SER HG . . 1.713 1.748 1.724 1.765 0.052 18 0 "[ . 1 . 2]" 2
25 1 40 ILE H 1 67 TYR O . . 2.027 1.908 1.724 2.130 0.103 20 0 "[ . 1 . 2]" 2
26 1 9 THR O 1 41 LYS H . . 1.996 1.923 1.755 2.031 0.035 4 0 "[ . 1 . 2]" 2
27 1 42 VAL H 1 65 GLY O . . 1.898 2.045 1.958 2.190 0.292 14 0 "[ . 1 . 2]" 2
28 1 7 LYS O 1 43 GLU H . . 1.935 1.867 1.792 1.926 . 0 0 "[ . 1 . 2]" 2
29 1 7 LYS O 1 44 GLY H . . 2.350 4.219 4.148 4.276 1.926 1 20 [+*****************-*] 2
30 1 47 TRP H 1 62 LEU O . . 1.883 2.073 1.946 2.141 0.258 7 0 "[ . 1 . 2]" 2
31 1 48 ALA H 1 84 ARG O . . 1.934 1.627 1.561 1.726 . 0 0 "[ . 1 . 2]" 2
32 1 49 VAL H 1 60 TYR O . . 1.769 2.109 1.796 2.537 0.768 2 4 "[ + . - *. *]" 2
33 1 50 TYR H 1 82 SER O . . 1.991 1.580 1.472 1.790 . 0 0 "[ . 1 . 2]" 2
34 1 51 GLU H 1 58 TYR O . . 2.257 2.213 1.989 2.738 0.481 9 0 "[ . 1 . 2]" 2
35 1 28 ALA O 1 54 ASN H . . 1.840 2.660 2.363 2.872 1.032 10 20 [*********+*******-**] 2
36 1 55 PHE H 1 82 SER OG . . 2.068 3.503 3.293 3.699 1.631 18 20 [**************-**+**] 2
37 1 51 GLU OE1 1 58 TYR H . . 1.813 2.581 2.158 3.587 1.774 9 8 "[ - . +** ** * *2]" 2
38 1 49 VAL O 1 60 TYR H . . 1.925 2.545 2.324 2.693 0.768 18 17 "[********** ***.*-+ *]" 2
39 1 61 ILE H 1 149 GLN OE1 . . 1.958 2.190 1.949 2.535 0.577 5 2 "[ + 1 - . 2]" 2
40 1 47 TRP O 1 62 LEU H . . 1.891 2.079 1.948 2.160 0.269 14 0 "[ . 1 . 2]" 2
41 1 42 VAL O 1 65 GLY H . . 2.059 2.669 2.560 2.791 0.732 10 20 [*********+*******-**] 2
42 1 40 ILE O 1 67 TYR H . . 1.918 1.978 1.878 2.030 0.112 17 0 "[ . 1 . 2]" 2
43 1 63 PRO O 1 67 TYR HH . . 1.935 2.016 1.980 2.084 0.149 5 0 "[ . 1 . 2]" 2
44 1 69 GLU O 1 72 ARG H . . 1.933 1.879 1.729 2.145 0.212 14 0 "[ . 1 . 2]" 2
45 1 70 TYR O 1 73 TRP H . . 2.215 2.460 1.771 3.060 0.845 13 4 "[ *- . 1 +*. 2]" 2
46 1 71 GLN O 1 74 MET H . . 2.068 2.328 2.159 2.509 0.441 3 0 "[ . 1 . 2]" 2
47 1 70 TYR O 1 75 GLY H . . 1.931 2.536 2.200 3.020 1.089 14 12 "[****.* * 1 **+**- 2]" 2
48 1 60 TYR OH 1 76 LEU H . . 2.024 3.265 2.679 3.973 1.949 13 20 [************+****-**] 2
49 1 77 ASN OD1 1 79 ARG H . . 2.045 2.213 2.004 2.563 0.518 12 1 "[ . 1 + . 2]" 2
50 1 50 TYR O 1 81 SER H . . 1.984 2.433 2.087 2.669 0.685 12 9 "[ * *- * 1 +* .* * *]" 2
51 1 31 HIS NE2 1 81 SER HG . . 1.813 3.255 3.148 3.324 1.511 14 20 [************-+******] 2
52 1 50 TYR O 1 82 SER H . . 2.541 3.749 3.400 3.911 1.370 1 20 [+*******-***********] 2
53 1 52 ARG O 1 82 SER HG . . 1.776 2.130 2.021 2.258 0.482 18 0 "[ . 1 . 2]" 2
54 1 27 CYS O 1 83 CYS H . . 2.050 2.300 2.136 2.429 0.379 18 0 "[ . 1 . 2]" 2
55 1 48 ALA O 1 84 ARG H . . 1.943 1.612 1.509 1.700 . 0 0 "[ . 1 . 2]" 2
56 1 46 THR O 1 86 VAL H . . 1.962 2.224 1.946 2.483 0.521 16 1 "[ . 1 .+ 2]" 2
57 1 96 ILE H 1 111 THR O . . 2.279 2.372 2.193 2.507 0.228 18 0 "[ . 1 . 2]" 2
58 1 97 GLN H 1 131 LYS O . . 1.874 1.828 1.757 1.912 0.038 7 0 "[ . 1 . 2]" 2
59 1 98 ILE H 1 109 TYR O . . 2.125 1.810 1.771 1.922 . 0 0 "[ . 1 . 2]" 2
60 1 99 PHE H 1 129 SER O . . 1.902 2.100 1.999 2.190 0.288 19 0 "[ . 1 . 2]" 2
61 1 100 GLU H 1 107 GLN O . . 2.223 2.055 1.812 2.327 0.104 19 0 "[ . 1 . 2]" 2
62 1 101 LYS H 1 105 SER O . . 2.082 1.971 1.826 2.134 0.052 15 0 "[ . 1 . 2]" 2
63 1 103 ASP H 1 158 ARG O . . 1.891 2.450 1.943 2.652 0.761 15 16 "[*** * ****-* +*****]" 2
64 1 104 PHE H 1 129 SER OG . . 2.051 2.333 2.070 2.594 0.543 9 2 "[ . +1 - 2]" 2
65 1 102 GLY O 1 105 SER H . . 2.560 2.617 2.326 2.836 0.276 3 0 "[ . 1 . 2]" 2
66 1 100 GLU OE1 1 107 GLN H . . 1.899 2.017 1.906 2.137 0.238 14 0 "[ . 1 . 2]" 2
67 1 98 ILE O 1 109 TYR H . . 1.944 1.953 1.793 2.066 0.122 6 0 "[ . 1 . 2]" 2
68 1 96 ILE O 1 111 THR H . . 1.934 2.372 2.267 2.491 0.557 8 3 "[ . -+ 1 . *]" 2
69 1 115 CYS H 1 173 PHE O . . 2.078 2.447 1.946 2.659 0.581 6 2 "[ -.+ 1 . 2]" 2
70 1 118 ILE H 1 171 GLN O . . 2.047 2.595 2.278 3.527 1.480 20 10 "[ ***.*** - * .* +]" 2
71 1 117 SER OG 1 120 GLU H . . 2.072 3.082 2.868 3.257 1.185 4 20 [***+***********-****] 2
72 1 117 SER O 1 121 GLN H . . 2.170 2.188 2.021 2.329 0.159 4 0 "[ . 1 . 2]" 2
73 1 118 ILE O 1 122 PHE H . . 1.717 1.951 1.909 2.146 0.429 20 0 "[ . 1 . 2]" 2
74 1 119 MET O 1 123 HIS H . . 1.832 2.052 1.904 2.188 0.356 18 0 "[ . 1 . 2]" 2
75 1 127 ILE H 1 168 PRO O . . 2.130 2.464 2.326 2.590 0.460 11 0 "[ . 1 . 2]" 2
76 1 99 PHE O 1 128 HIS H . . 2.352 2.726 2.413 2.961 0.609 15 4 "[* -. *1 + 2]" 2
77 1 101 LYS O 1 129 SER HG . . 1.711 2.060 1.790 2.669 0.958 13 4 "[ * . -1 + * 2]" 2
78 1 130 CYS H 1 157 TYR O . . 1.943 2.368 1.775 2.498 0.555 20 4 "[ . - 1 .** +]" 2
79 1 97 GLN O 1 131 LYS H . . 2.105 2.277 2.085 2.372 0.267 14 0 "[ . 1 . 2]" 2
80 1 132 VAL H 1 155 LYS O . . 2.003 2.870 2.757 2.985 0.982 15 20 [****-*********+*****] 2
81 1 95 LYS O 1 133 LEU H . . 2.069 3.677 3.339 3.869 1.800 1 20 [+***-***************] 2
82 1 95 LYS O 1 134 GLU H . . 2.157 3.581 3.309 3.988 1.831 2 20 [*+*********-********] 2
83 1 137 TRP H 1 152 LEU O . . 1.990 4.440 4.193 4.540 2.550 20 20 [*********-*********+] 2
84 1 138 ILE H 1 174 ARG O . . 1.829 2.370 2.030 2.621 0.792 1 13 "[+ *. **1***** -***]" 2
85 1 139 PHE H 1 150 TYR O . . 1.819 2.023 1.754 2.217 0.398 16 0 "[ . 1 . 2]" 2
86 1 140 TYR H 1 172 SER O . . 1.963 2.253 1.803 2.631 0.668 11 2 "[ . 1+ . -]" 2
87 1 141 GLU H 1 148 ARG O . . 2.017 2.490 2.210 2.812 0.795 18 8 "[ * . * ** -*.* + 2]" 2
88 1 142 LEU H 1 146 ARG O . . 1.988 2.333 2.074 2.561 0.573 6 2 "[ .+- 1 . 2]" 2
89 1 116 PRO O 1 144 ASN H . . 1.791 3.489 3.188 3.915 2.124 16 20 [*-*************+****] 2
90 1 145 TYR H 1 172 SER OG . . 1.996 3.874 3.583 4.274 2.278 2 20 [*+***-**************] 2
91 1 142 LEU O 1 146 ARG H . . 2.357 3.365 3.246 3.527 1.170 6 20 [*-***+**************] 2
92 1 141 GLU OE1 1 148 ARG H . . 1.906 2.779 2.418 2.990 1.084 19 20 [***************-**+*] 2
93 1 139 PHE O 1 150 TYR H . . 1.929 2.360 2.088 2.483 0.554 19 6 "[ * . *-* . +*]" 2
94 1 137 TRP O 1 152 LEU H . . 1.732 1.974 1.771 2.152 0.420 8 0 "[ . 1 . 2]" 2
95 1 130 CYS O 1 155 LYS H . . 2.232 4.093 3.681 5.014 2.782 13 20 [************+******-] 2
96 1 153 ASP O 1 157 TYR HH . . 2.030 2.515 2.242 2.923 0.893 13 6 "[ - ** + ** 2]" 2
97 1 156 GLU OE1 1 158 ARG HE . . 1.753 2.589 2.113 2.793 1.040 2 19 "[-+********** *******]" 2
98 1 159 LYS O 1 162 ASP H . . 1.905 2.335 2.279 2.434 0.529 12 3 "[ . 1*+ - 2]" 2
99 1 160 PRO O 1 163 TRP H . . 1.998 2.265 1.789 2.868 0.870 13 4 "[ . * 1 +-.* 2]" 2
100 1 161 ILE O 1 164 GLY H . . 1.882 2.352 2.181 2.487 0.605 15 7 "[** .* 1 * + -* 2]" 2
101 1 125 ARG O 1 170 VAL H . . 2.338 2.686 2.522 2.886 0.548 16 1 "[ . 1 .+ 2]" 2
102 1 140 TYR O 1 171 GLN H . . 1.771 2.739 2.336 2.931 1.160 18 20 [***************-*+**] 2
103 1 140 TYR O 1 172 SER H . . 2.351 2.988 2.698 4.004 1.654 7 9 "[ *-.*+**1 .** *]" 2
104 1 142 LEU O 1 172 SER HG . . 1.868 2.065 1.578 3.747 1.879 2 4 "[ + .-* 1 .* 2]" 2
105 1 171 GLN OE1 1 172 SER HG . . 2.368 4.108 3.411 4.556 2.188 18 20 [*-***************+**] 2
106 1 115 CYS O 1 173 PHE H . . 2.033 2.492 1.910 2.774 0.741 5 8 "[ * + - 1** * * *2]" 2
107 1 138 ILE O 1 174 ARG H . . 1.900 2.044 1.816 2.296 0.396 1 0 "[ . 1 . 2]" 2
108 1 140 TYR OH 1 174 ARG HE . . 2.293 2.497 2.167 2.945 0.652 9 1 "[ . +1 . 2]" 2
109 1 114 ASP OD1 1 175 ARG H . . 1.825 1.971 1.797 2.324 0.499 5 0 "[ . 1 . 2]" 2
110 1 114 ASP OD1 1 175 ARG HE . . 1.858 1.994 1.873 2.172 0.314 9 0 "[ . 1 . 2]" 2
stop_
save_
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