Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
476893 | 2kv3 RC | 16767 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kv3
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 932
_Distance_constraint_stats_list.Viol_count 2755
_Distance_constraint_stats_list.Viol_total 12496.945
_Distance_constraint_stats_list.Viol_max 1.659
_Distance_constraint_stats_list.Viol_rms 0.1402
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0335
_Distance_constraint_stats_list.Viol_average_violations_only 0.2268
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 17.968 1.267 9 16 "[***** -*+1 ** ******]"
1 3 CYS 6.493 0.733 19 6 "[ *-** *1 . +2]"
1 4 ALA 0.801 0.172 13 0 "[ . 1 . 2]"
1 5 PRO 13.340 1.267 9 14 "[* **. -*+1 ** ******]"
1 6 GLY 0.932 0.577 3 1 "[ + . 1 . 2]"
1 7 TRP 0.246 0.172 13 0 "[ . 1 . 2]"
1 8 PHE 0.129 0.025 6 0 "[ . 1 . 2]"
1 9 TYR 0.028 0.019 16 0 "[ . 1 . 2]"
1 10 HIS 0.587 0.304 14 0 "[ . 1 . 2]"
1 11 LYS 1.032 0.676 12 1 "[ . 1 + . 2]"
1 12 SER 0.877 0.108 5 0 "[ . 1 . 2]"
1 13 ASN 1.841 0.304 14 0 "[ . 1 . 2]"
1 14 CYS 3.265 1.389 4 2 "[ +. - 1 . 2]"
1 15 TYR 18.889 1.278 11 19 "[***-**** *+*********]"
1 16 GLY 6.778 0.966 5 8 "[ + **1 **** -]"
1 17 TYR 0.055 0.055 9 0 "[ . 1 . 2]"
1 18 PHE 0.265 0.041 10 0 "[ . 1 . 2]"
1 19 ARG 0.397 0.041 10 0 "[ . 1 . 2]"
1 20 LYS 0.295 0.033 7 0 "[ . 1 . 2]"
1 21 LEU 2.831 0.250 3 0 "[ . 1 . 2]"
1 22 ARG 1.602 0.096 2 0 "[ . 1 . 2]"
1 23 ASN 17.143 0.867 16 15 "[* *** **1*-**.+****]"
1 24 TRP 7.304 0.342 18 0 "[ . 1 . 2]"
1 25 SER 2.046 0.070 7 0 "[ . 1 . 2]"
1 26 ASP 1.170 0.055 2 0 "[ . 1 . 2]"
1 27 ALA 15.600 0.404 12 0 "[ . 1 . 2]"
1 28 GLU 10.658 0.416 15 0 "[ . 1 . 2]"
1 29 LEU 2.214 0.191 13 0 "[ . 1 . 2]"
1 30 GLU 0.401 0.060 12 0 "[ . 1 . 2]"
1 31 CYS 6.735 0.554 15 1 "[ . 1 + 2]"
1 32 GLN 6.951 0.554 15 1 "[ . 1 + 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.367 0.103 4 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ASN 2.275 0.109 2 0 "[ . 1 . 2]"
1 37 GLY 2.027 0.109 2 0 "[ . 1 . 2]"
1 38 ALA 0.640 0.103 4 0 "[ . 1 . 2]"
1 39 HIS 6.286 0.553 11 4 "[ - * *1+ . 2]"
1 40 LEU 62.317 1.117 7 20 [******+**********-**]
1 41 ALA 22.736 0.822 9 11 "[*- *** +1** .** *2]"
1 42 SER 7.016 0.556 11 2 "[- . 1+ . 2]"
1 43 ILE 21.621 0.900 20 13 "[-**** *****.* * +]"
1 44 LEU 41.393 1.510 3 20 [**+**************-**]
1 45 SER 1.552 0.259 16 0 "[ . 1 . 2]"
1 46 LEU 0.154 0.050 20 0 "[ . 1 . 2]"
1 47 LYS 0.749 0.259 16 0 "[ . 1 . 2]"
1 48 GLU 0.241 0.241 19 0 "[ . 1 . 2]"
1 49 ALA 15.519 0.900 20 10 "[ -**. * ***.* * +]"
1 50 SER 0.289 0.062 7 0 "[ . 1 . 2]"
1 51 THR 0.115 0.114 10 0 "[ . 1 . 2]"
1 52 ILE 23.568 0.920 9 14 "[* **. **+** **. *-**]"
1 53 ALA 1.315 0.065 16 0 "[ . 1 . 2]"
1 54 GLU 0.765 0.765 13 1 "[ . 1 + . 2]"
1 55 TYR 1.340 0.765 13 1 "[ . 1 + . 2]"
1 56 ILE 75.109 1.651 5 20 [****+************-**]
1 57 SER 8.050 0.924 1 8 "[+ * .** 1 - ** * 2]"
1 58 GLY 1.932 0.124 4 0 "[ . 1 . 2]"
1 59 TYR 24.799 0.998 18 19 "[* *********-*****+**]"
1 60 GLN 7.671 0.998 8 6 "[ * + 1 **. *-2]"
1 61 ARG 6.525 0.998 8 6 "[ * + 1 **. *-2]"
1 62 SER 1.000 0.131 11 0 "[ . 1 . 2]"
1 63 GLN 1.296 0.175 16 0 "[ . 1 . 2]"
1 65 ILE 27.077 0.854 16 19 [*********-****.+****]
1 66 TRP 32.546 0.748 9 19 [-*******+*****.*****]
1 67 ILE 17.222 0.621 20 2 "[ . -1 . +]"
1 68 GLY 11.244 0.381 11 0 "[ . 1 . 2]"
1 69 LEU 73.654 1.163 8 20 [*-*****+************]
1 70 HIS 2.476 0.299 18 0 "[ . 1 . 2]"
1 71 ASP 0.748 0.052 20 0 "[ . 1 . 2]"
1 72 PRO 21.511 1.027 8 20 [*******+-***********]
1 73 GLN 7.645 0.365 13 0 "[ . 1 . 2]"
1 74 LYS 0.199 0.033 17 0 "[ . 1 . 2]"
1 75 ARG 5.592 0.365 13 0 "[ . 1 . 2]"
1 76 GLN 4.710 0.238 3 0 "[ . 1 . 2]"
1 77 GLN 20.342 1.027 8 20 [*******+-***********]
1 78 TRP 15.360 0.808 4 20 [***+*************-**]
1 79 GLN 1.992 0.343 10 0 "[ . 1 . 2]"
1 80 TRP 48.473 1.159 19 20 [-*****************+*]
1 81 ILE 25.887 1.072 15 11 "[ -** * *** * +* *]"
1 82 ASP 10.983 1.072 15 7 "[ -. * * * +* *]"
1 83 GLY 2.257 0.174 7 0 "[ . 1 . 2]"
1 84 ALA 56.802 1.510 3 20 [-*+*****************]
1 85 MET 25.221 1.659 20 18 "[******* ********-*+]"
1 86 TYR 1.561 0.141 13 0 "[ . 1 . 2]"
1 87 LEU 15.690 1.659 20 13 "[* *** * **-*** *+]"
1 88 TYR 0.562 0.055 20 0 "[ . 1 . 2]"
1 89 ARG 1.066 0.175 8 0 "[ . 1 . 2]"
1 90 SER 2.388 0.109 5 0 "[ . 1 . 2]"
1 91 TRP 1.836 0.109 5 0 "[ . 1 . 2]"
1 92 SER 1.164 0.073 20 0 "[ . 1 . 2]"
1 93 GLY 0.416 0.044 17 0 "[ . 1 . 2]"
1 94 LYS 9.560 0.565 16 1 "[ . 1 .+ 2]"
1 95 SER 2.109 0.565 16 1 "[ . 1 .+ 2]"
1 96 MET 8.677 0.554 3 4 "[ + .* 1- * 2]"
1 97 GLY 3.590 0.554 3 4 "[ + .* 1- * 2]"
1 98 GLY 0.980 0.128 16 0 "[ . 1 . 2]"
1 99 ASN 29.519 1.163 8 15 "[*- ** *+**** ** ** *]"
1 100 LYS 10.166 0.398 4 0 "[ . 1 . 2]"
1 101 HIS 0.812 0.228 9 0 "[ . 1 . 2]"
1 102 CYS 6.843 0.398 4 0 "[ . 1 . 2]"
1 103 ALA 25.815 0.876 4 14 "[*- +* ****** *. ** *]"
1 104 GLU 8.889 0.629 5 4 "[- + ** . 2]"
1 105 MET 6.318 0.621 20 2 "[ . -1 . +]"
1 106 SER 5.407 0.600 11 2 "[ -. 1+ . 2]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 THR 6.170 0.709 3 7 "[ + - **** * 2]"
1 114 TRP 0.281 0.049 9 0 "[ . 1 . 2]"
1 115 SER 0.389 0.042 7 0 "[ . 1 . 2]"
1 116 SER 0.355 0.196 2 0 "[ . 1 . 2]"
1 117 ASN 5.854 0.340 12 0 "[ . 1 . 2]"
1 118 GLU 5.039 0.683 12 1 "[ . 1 + . 2]"
1 119 CYS 0.724 0.228 9 0 "[ . 1 . 2]"
1 120 ASN 6.446 0.683 12 1 "[ . 1 + . 2]"
1 121 LYS 1.668 0.340 12 0 "[ . 1 . 2]"
1 122 ARG 11.603 0.867 16 12 "[- *** **1* * .+***2]"
1 123 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 HIS 0.254 0.033 9 0 "[ . 1 . 2]"
1 125 PHE 23.536 1.117 7 20 [******+**********-**]
1 126 LEU 49.303 1.651 5 20 [****+**************-]
1 127 CYS 0.968 0.069 5 0 "[ . 1 . 2]"
1 128 LYS 0.587 0.184 16 0 "[ . 1 . 2]"
1 129 TYR 2.855 1.389 4 2 "[ +. - 1 . 2]"
1 130 ARG 0.210 0.033 2 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 96 MET HA 1 97 GLY QA 5.000 3.500 5.000 4.302 4.213 4.389 . 0 0 "[ . 1 . 2]" 1
2 1 96 MET HA 1 96 MET QG 3.500 2.500 3.500 2.673 2.259 3.294 0.241 2 0 "[ . 1 . 2]" 1
3 1 96 MET HA 1 96 MET QB 3.500 2.500 3.500 2.302 2.206 2.437 0.294 18 0 "[ . 1 . 2]" 1
4 1 94 LYS QE 1 94 LYS QG 4.000 2.500 4.000 2.306 2.115 2.669 0.385 12 0 "[ . 1 . 2]" 1
5 1 94 LYS QD 1 94 LYS QG 3.500 . 3.500 2.067 2.013 2.111 . 0 0 "[ . 1 . 2]" 1
6 1 94 LYS HA 1 94 LYS QG 4.000 2.500 4.000 2.613 2.267 3.308 0.233 8 0 "[ . 1 . 2]" 1
7 1 67 ILE QG 1 103 ALA MB 5.300 3.800 5.300 3.787 3.669 3.865 0.131 7 0 "[ . 1 . 2]" 1
8 1 99 ASN QD 1 103 ALA MB 5.000 2.500 5.000 2.468 1.624 3.648 0.876 4 7 "[ - +. ** * * *. 2]" 1
9 1 69 LEU HA 1 80 TRP QB 5.400 4.400 5.400 4.156 3.832 4.389 0.568 10 4 "[ * -+ . * 2]" 1
10 1 80 TRP QB 1 84 ALA MB 4.200 3.200 4.200 2.181 2.041 2.457 1.159 19 20 [**************-***+*] 1
11 1 88 TYR QB 1 88 TYR QD 3.000 . 3.000 2.153 2.149 2.181 . 0 0 "[ . 1 . 2]" 1
12 1 79 GLN QE 1 81 ILE HA 5.800 4.300 5.800 4.798 3.957 5.145 0.343 10 0 "[ . 1 . 2]" 1
13 1 81 ILE HA 1 82 ASP HA 4.900 3.400 4.900 4.762 4.737 4.788 . 0 0 "[ . 1 . 2]" 1
14 1 72 PRO QD 1 77 GLN QB 5.000 3.500 5.000 2.554 2.473 2.795 1.027 8 20 [*******+-***********] 1
15 1 44 LEU QD 1 85 MET HA 5.000 3.500 5.000 3.854 3.639 4.119 . 0 0 "[ . 1 . 2]" 1
16 1 85 MET HA 1 86 TYR HA 5.000 3.500 5.000 4.501 4.487 4.518 . 0 0 "[ . 1 . 2]" 1
17 1 85 MET HA 1 86 TYR QB 5.000 3.500 5.000 4.168 4.119 4.259 . 0 0 "[ . 1 . 2]" 1
18 1 69 LEU QD 1 99 ASN QB 5.500 4.000 5.500 3.371 2.837 3.654 1.163 8 9 "[- *. +*1* ** * *]" 1
19 1 78 TRP QB 1 99 ASN QB 4.500 3.000 4.500 3.368 2.600 3.592 0.400 13 0 "[ . 1 . 2]" 1
20 1 99 ASN QB 1 102 CYS HA 5.300 3.800 5.300 4.325 3.903 4.836 . 0 0 "[ . 1 . 2]" 1
21 1 72 PRO HA 1 77 GLN QE 5.500 4.000 5.500 4.923 4.911 4.942 . 0 0 "[ . 1 . 2]" 1
22 1 66 TRP HA 1 104 GLU QB 5.000 3.000 5.000 2.974 2.719 3.582 0.281 2 0 "[ . 1 . 2]" 1
23 1 66 TRP HA 1 105 MET QG 5.500 3.500 5.500 4.386 4.075 4.834 . 0 0 "[ . 1 . 2]" 1
24 1 66 TRP HE1 1 104 GLU HA 4.500 3.000 4.500 4.341 3.885 4.515 0.015 18 0 "[ . 1 . 2]" 1
25 1 66 TRP HD1 1 104 GLU HA 4.500 3.000 4.500 3.186 2.963 3.503 0.037 9 0 "[ . 1 . 2]" 1
26 1 18 PHE QB 1 124 HIS HA 5.200 3.200 5.200 4.683 4.501 4.739 . 0 0 "[ . 1 . 2]" 1
27 1 19 ARG HA 1 124 HIS HA 4.200 2.700 4.200 3.998 3.847 4.188 . 0 0 "[ . 1 . 2]" 1
28 1 21 LEU HA 1 124 HIS HA 4.000 2.500 4.000 3.417 3.188 3.539 . 0 0 "[ . 1 . 2]" 1
29 1 85 MET QB 1 87 LEU QD 5.200 3.700 5.200 2.979 2.041 3.740 1.659 20 13 "[* *** * **-*** *+]" 1
30 1 24 TRP HE1 1 68 GLY QA 4.000 . 4.000 2.997 2.682 3.189 . 0 0 "[ . 1 . 2]" 1
31 1 40 LEU QB 1 68 GLY QA 4.500 2.500 4.500 2.164 2.119 2.308 0.381 11 0 "[ . 1 . 2]" 1
32 1 40 LEU QB 1 67 ILE HA 5.000 3.000 5.000 2.727 2.621 2.889 0.379 20 0 "[ . 1 . 2]" 1
33 1 69 LEU HA 1 80 TRP HA . 2.500 3.500 2.582 2.477 2.872 0.023 3 0 "[ . 1 . 2]" 1
34 1 69 LEU QD 1 80 TRP HA 5.400 3.900 5.400 3.157 3.006 3.388 0.894 3 20 [**+-****************] 1
35 1 69 LEU H 1 80 TRP HA . 3.500 5.000 4.882 4.802 4.971 . 0 0 "[ . 1 . 2]" 1
36 1 92 SER HA 1 93 GLY QA 5.000 3.500 5.000 3.969 3.964 3.974 . 0 0 "[ . 1 . 2]" 1
37 1 28 GLU HA 1 40 LEU QD 4.500 2.500 4.500 3.130 2.908 3.239 . 0 0 "[ . 1 . 2]" 1
38 1 40 LEU QD 1 66 TRP QB 4.200 2.800 4.200 2.350 2.321 2.372 0.479 20 0 "[ . 1 . 2]" 1
39 1 40 LEU QD 1 67 ILE HA 5.000 2.500 5.000 3.366 3.221 3.441 . 0 0 "[ . 1 . 2]" 1
40 1 1 GLN QB 1 2 SER HA 4.700 2.700 4.700 3.995 3.865 4.260 . 0 0 "[ . 1 . 2]" 1
41 1 2 SER HA 1 3 CYS QB 5.500 3.000 5.500 4.126 3.844 4.825 . 0 0 "[ . 1 . 2]" 1
42 1 9 TYR HA 1 10 HIS HA 5.500 3.000 5.500 4.493 4.489 4.497 . 0 0 "[ . 1 . 2]" 1
43 1 15 TYR QB 1 129 TYR QD 5.000 2.500 5.000 3.959 3.806 4.335 . 0 0 "[ . 1 . 2]" 1
44 1 90 SER HA 1 91 TRP HA 5.000 2.500 5.000 4.484 4.459 4.504 . 0 0 "[ . 1 . 2]" 1
45 1 2 SER H 1 2 SER QB 4.500 . 4.500 2.687 2.251 3.357 . 0 0 "[ . 1 . 2]" 1
46 1 2 SER QB 1 3 CYS H . 2.900 4.100 2.636 2.167 3.276 0.733 19 6 "[ *-** *1 . +2]" 1
47 1 2 SER H 1 3 CYS H . 2.500 4.500 3.972 2.455 4.579 0.079 5 0 "[ . 1 . 2]" 1
48 1 2 SER HG 1 3 CYS H 4.500 2.800 4.500 3.850 2.811 4.504 0.004 10 0 "[ . 1 . 2]" 1
49 1 3 CYS H 1 3 CYS QB 4.500 . 4.500 2.836 2.256 3.323 . 0 0 "[ . 1 . 2]" 1
50 1 3 CYS HA 1 4 ALA H . 2.300 3.500 2.423 2.260 3.136 0.040 10 0 "[ . 1 . 2]" 1
51 1 3 CYS QB 1 4 ALA H . 2.300 4.500 3.950 3.638 4.071 . 0 0 "[ . 1 . 2]" 1
52 1 2 SER QB 1 4 ALA H 4.800 3.000 4.800 3.938 2.897 4.336 0.103 9 0 "[ . 1 . 2]" 1
53 1 4 ALA H 1 7 TRP H 4.000 2.500 4.000 3.106 2.737 3.716 . 0 0 "[ . 1 . 2]" 1
54 1 4 ALA H 1 7 TRP QB 3.500 . 3.500 2.616 1.828 3.137 0.172 13 0 "[ . 1 . 2]" 1
55 1 4 ALA H 1 4 ALA MB 4.500 . 4.500 2.882 2.715 2.953 . 0 0 "[ . 1 . 2]" 1
56 1 4 ALA H 1 5 PRO QD 3.500 . 3.500 1.857 1.621 2.222 . 0 0 "[ . 1 . 2]" 1
57 1 4 ALA MB 1 5 PRO HA 5.800 3.800 5.800 3.782 3.753 3.813 0.047 18 0 "[ . 1 . 2]" 1
58 1 5 PRO HA 1 5 PRO QG 4.000 2.500 4.000 3.157 2.816 3.505 . 0 0 "[ . 1 . 2]" 1
59 1 4 ALA H 1 5 PRO HA 5.500 3.500 5.500 4.761 4.620 4.896 . 0 0 "[ . 1 . 2]" 1
60 1 5 PRO QB 1 5 PRO QG 3.500 . 3.500 1.971 1.968 1.975 0.032 11 0 "[ . 1 . 2]" 1
61 1 2 SER QB 1 5 PRO QG 5.200 3.700 5.200 3.152 2.433 4.179 1.267 9 14 "[* **. -*+1 ** ******]" 1
62 1 5 PRO QB 1 6 GLY H 5.000 2.800 5.000 3.640 2.223 4.030 0.577 3 1 "[ + . 1 . 2]" 1
63 1 5 PRO HA 1 6 GLY H 4.000 . 4.000 2.810 2.317 3.597 . 0 0 "[ . 1 . 2]" 1
64 1 6 GLY H 1 6 GLY QA 4.500 . 4.500 2.394 2.263 2.535 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLY H 1 7 TRP H 3.000 . 3.000 2.315 1.575 2.727 . 0 0 "[ . 1 . 2]" 1
66 1 6 GLY H 1 7 TRP QB 5.000 . 5.000 4.156 3.311 4.556 . 0 0 "[ . 1 . 2]" 1
67 1 6 GLY QA 1 7 TRP H 4.000 . 4.000 2.852 2.650 2.946 . 0 0 "[ . 1 . 2]" 1
68 1 7 TRP H 1 7 TRP HD1 5.200 3.200 5.200 5.040 4.977 5.098 . 0 0 "[ . 1 . 2]" 1
69 1 7 TRP HD1 1 14 CYS HA 4.000 2.500 4.000 3.202 2.896 3.753 . 0 0 "[ . 1 . 2]" 1
70 1 7 TRP HE1 1 15 TYR HA 4.500 2.500 4.500 3.307 2.887 3.817 . 0 0 "[ . 1 . 2]" 1
71 1 7 TRP HE1 1 14 CYS HA 3.500 . 3.500 2.566 1.994 3.356 0.006 5 0 "[ . 1 . 2]" 1
72 1 7 TRP HE1 1 15 TYR QB 5.500 3.500 5.500 4.109 3.846 4.390 . 0 0 "[ . 1 . 2]" 1
73 1 7 TRP H 1 7 TRP QB 5.000 . 5.000 2.282 2.201 2.306 . 0 0 "[ . 1 . 2]" 1
74 1 7 TRP HA 1 8 PHE H . . 4.000 2.280 2.245 2.296 . 0 0 "[ . 1 . 2]" 1
75 1 7 TRP QB 1 8 PHE H . 3.100 4.300 3.539 3.460 3.627 . 0 0 "[ . 1 . 2]" 1
76 1 7 TRP H 1 8 PHE H . 3.500 4.700 4.640 4.599 4.657 . 0 0 "[ . 1 . 2]" 1
77 1 8 PHE H 1 14 CYS HA . 3.900 5.400 5.339 5.128 5.425 0.025 6 0 "[ . 1 . 2]" 1
78 1 8 PHE H 1 16 GLY QA 5.300 3.300 5.300 4.784 4.724 4.812 . 0 0 "[ . 1 . 2]" 1
79 1 8 PHE HA 1 9 TYR H . . 4.000 2.192 2.177 2.218 . 0 0 "[ . 1 . 2]" 1
80 1 8 PHE QB 1 9 TYR H . . 4.200 3.433 3.091 3.849 . 0 0 "[ . 1 . 2]" 1
81 1 8 PHE H 1 9 TYR H 4.500 2.500 4.500 4.479 4.445 4.519 0.019 16 0 "[ . 1 . 2]" 1
82 1 9 TYR HA 1 14 CYS HA 5.000 . 5.000 3.210 2.740 3.680 . 0 0 "[ . 1 . 2]" 1
83 1 9 TYR H 1 10 HIS HA 5.800 2.800 5.800 5.236 5.097 5.281 . 0 0 "[ . 1 . 2]" 1
84 1 9 TYR H 1 9 TYR QB 4.500 . 4.500 2.754 2.380 2.918 . 0 0 "[ . 1 . 2]" 1
85 1 9 TYR HA 1 10 HIS H 3.000 . 3.000 2.207 2.197 2.216 . 0 0 "[ . 1 . 2]" 1
86 1 9 TYR QB 1 10 HIS H 4.500 3.000 4.500 3.573 3.254 3.608 . 0 0 "[ . 1 . 2]" 1
87 1 10 HIS H 1 14 CYS HA 4.200 3.200 4.200 3.439 3.180 3.990 0.020 18 0 "[ . 1 . 2]" 1
88 1 10 HIS H 1 13 ASN H 4.500 2.500 4.500 3.527 2.472 3.741 0.028 5 0 "[ . 1 . 2]" 1
89 1 10 HIS HD2 1 11 LYS QB 5.500 2.500 5.500 4.721 4.317 4.925 . 0 0 "[ . 1 . 2]" 1
90 1 10 HIS H 1 13 ASN QD 5.000 3.000 5.000 3.283 2.696 4.467 0.304 14 0 "[ . 1 . 2]" 1
91 1 10 HIS QB 1 13 ASN H 5.300 3.300 5.300 4.332 3.562 4.851 . 0 0 "[ . 1 . 2]" 1
92 1 10 HIS QB 1 11 LYS H 5.000 . 5.000 3.605 3.032 3.883 . 0 0 "[ . 1 . 2]" 1
93 1 11 LYS H 1 13 ASN QD 5.500 3.300 5.500 4.447 4.103 4.978 . 0 0 "[ . 1 . 2]" 1
94 1 10 HIS HA 1 11 LYS H 3.000 . 3.000 2.238 2.211 2.257 . 0 0 "[ . 1 . 2]" 1
95 1 10 HIS H 1 11 LYS H 5.000 2.500 5.000 4.465 4.268 4.484 . 0 0 "[ . 1 . 2]" 1
96 1 11 LYS QG 1 13 ASN H 5.000 3.400 5.000 4.465 4.392 4.534 . 0 0 "[ . 1 . 2]" 1
97 1 11 LYS H 1 13 ASN H 5.000 . 5.000 4.216 3.924 4.273 . 0 0 "[ . 1 . 2]" 1
98 1 11 LYS H 1 11 LYS QG 3.500 . 3.500 2.531 2.381 2.603 . 0 0 "[ . 1 . 2]" 1
99 1 11 LYS H 1 11 LYS QB 3.800 2.600 3.800 3.354 3.309 3.406 . 0 0 "[ . 1 . 2]" 1
100 1 11 LYS H 1 11 LYS QD 5.000 3.500 5.000 4.266 2.824 4.583 0.676 12 1 "[ . 1 + . 2]" 1
101 1 11 LYS H 1 12 SER H 4.500 2.500 4.500 2.771 2.697 2.832 . 0 0 "[ . 1 . 2]" 1
102 1 11 LYS QG 1 12 SER H 5.000 . 5.000 4.348 4.245 4.420 . 0 0 "[ . 1 . 2]" 1
103 1 11 LYS QB 1 12 SER H 4.000 . 4.000 3.754 3.723 3.794 . 0 0 "[ . 1 . 2]" 1
104 1 12 SER H 1 12 SER QB 4.500 . 4.500 3.089 2.945 3.489 . 0 0 "[ . 1 . 2]" 1
105 1 12 SER H 1 13 ASN H 4.500 . 4.500 2.744 2.494 2.810 . 0 0 "[ . 1 . 2]" 1
106 1 12 SER H 1 13 ASN QD 5.000 . 5.000 4.488 3.862 4.597 . 0 0 "[ . 1 . 2]" 1
107 1 13 ASN HA 1 14 CYS H . . 3.000 2.423 2.243 2.470 . 0 0 "[ . 1 . 2]" 1
108 1 12 SER HA 1 13 ASN HA 4.500 2.500 4.500 4.544 4.527 4.608 0.108 5 0 "[ . 1 . 2]" 1
109 1 12 SER HA 1 13 ASN H . . 4.500 3.245 3.053 3.264 . 0 0 "[ . 1 . 2]" 1
110 1 12 SER QB 1 13 ASN H 5.000 . 5.000 3.761 3.500 3.998 . 0 0 "[ . 1 . 2]" 1
111 1 13 ASN QB 1 129 TYR H 5.000 3.000 5.000 4.068 3.906 4.273 . 0 0 "[ . 1 . 2]" 1
112 1 13 ASN H 1 13 ASN QD 5.000 . 5.000 2.575 2.172 2.760 . 0 0 "[ . 1 . 2]" 1
113 1 13 ASN QB 1 14 CYS H . . 3.500 2.480 2.329 2.893 . 0 0 "[ . 1 . 2]" 1
114 1 13 ASN H 1 14 CYS H . 2.500 4.500 4.511 4.477 4.537 0.037 14 0 "[ . 1 . 2]" 1
115 1 13 ASN H 1 14 CYS HA 5.000 . 5.000 4.947 4.850 5.103 0.103 5 0 "[ . 1 . 2]" 1
116 1 13 ASN QD 1 14 CYS H 4.700 2.700 4.700 3.642 3.333 4.308 . 0 0 "[ . 1 . 2]" 1
117 1 14 CYS H 1 129 TYR QD 5.700 3.200 5.700 4.585 1.811 5.093 1.389 4 2 "[ +. - 1 . 2]" 1
118 1 14 CYS QB 1 129 TYR H 5.800 2.800 5.800 4.364 4.093 5.100 . 0 0 "[ . 1 . 2]" 1
119 1 14 CYS H 1 129 TYR H 5.000 . 5.000 4.114 3.319 4.810 . 0 0 "[ . 1 . 2]" 1
120 1 14 CYS H 1 129 TYR QB 5.500 2.500 5.500 3.327 3.103 4.035 . 0 0 "[ . 1 . 2]" 1
121 1 14 CYS H 1 15 TYR H 5.000 . 5.000 4.441 4.265 4.537 . 0 0 "[ . 1 . 2]" 1
122 1 15 TYR H 1 15 TYR HA 5.000 2.800 5.000 2.969 2.962 2.989 . 0 0 "[ . 1 . 2]" 1
123 1 14 CYS HA 1 15 TYR H 3.200 . 3.200 2.178 2.164 2.220 . 0 0 "[ . 1 . 2]" 1
124 1 15 TYR QD 1 16 GLY QA 6.000 3.000 6.000 3.800 2.835 4.093 0.165 14 0 "[ . 1 . 2]" 1
125 1 14 CYS QB 1 15 TYR H 4.500 3.000 4.500 3.260 3.005 3.761 . 0 0 "[ . 1 . 2]" 1
126 1 15 TYR HA 1 129 TYR H 5.000 . 5.000 3.329 3.217 3.542 . 0 0 "[ . 1 . 2]" 1
127 1 15 TYR HA 1 128 LYS H 5.500 2.500 5.500 5.269 4.941 5.484 . 0 0 "[ . 1 . 2]" 1
128 1 15 TYR HA 1 16 GLY H . . 3.000 2.335 2.320 2.345 . 0 0 "[ . 1 . 2]" 1
129 1 15 TYR QB 1 16 GLY H 3.500 . 3.500 2.860 2.774 2.912 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLY H 1 17 TYR HA 4.800 3.300 4.800 4.661 4.572 4.798 . 0 0 "[ . 1 . 2]" 1
131 1 15 TYR QD 1 16 GLY H 4.000 2.500 4.000 3.704 2.947 3.982 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLY H 1 126 LEU QD 5.200 3.700 5.200 3.441 2.734 3.930 0.966 5 8 "[ + **1 **** -]" 1
133 1 16 GLY H 1 127 CYS H 5.000 . 5.000 3.643 3.488 3.812 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLY H 1 127 CYS QB 5.000 3.000 5.000 3.723 3.333 4.025 . 0 0 "[ . 1 . 2]" 1
135 1 16 GLY QA 1 127 CYS H 5.200 3.200 5.200 4.687 4.627 4.727 . 0 0 "[ . 1 . 2]" 1
136 1 16 GLY H 1 128 LYS H 5.500 2.500 5.500 5.411 5.256 5.541 0.041 15 0 "[ . 1 . 2]" 1
137 1 16 GLY H 1 129 TYR H 5.300 3.300 5.300 5.299 5.212 5.325 0.025 7 0 "[ . 1 . 2]" 1
138 1 16 GLY QA 1 17 TYR H 3.000 . 3.000 2.218 2.169 2.301 . 0 0 "[ . 1 . 2]" 1
139 1 16 GLY H 1 17 TYR H 4.500 3.000 4.500 4.346 4.237 4.426 . 0 0 "[ . 1 . 2]" 1
140 1 17 TYR HA 1 127 CYS H 5.000 . 5.000 3.268 2.897 3.647 . 0 0 "[ . 1 . 2]" 1
141 1 17 TYR H 1 126 LEU HA 5.500 . 5.500 5.297 5.145 5.555 0.055 9 0 "[ . 1 . 2]" 1
142 1 17 TYR H 1 17 TYR QB 3.500 . 3.500 2.748 2.519 2.985 . 0 0 "[ . 1 . 2]" 1
143 1 17 TYR QB 1 18 PHE H 3.500 . 3.500 2.841 2.772 2.976 . 0 0 "[ . 1 . 2]" 1
144 1 17 TYR HA 1 18 PHE H . . 3.000 2.285 2.231 2.307 . 0 0 "[ . 1 . 2]" 1
145 1 18 PHE H 1 19 ARG HA 4.900 2.900 4.900 4.871 4.743 4.941 0.041 10 0 "[ . 1 . 2]" 1
146 1 18 PHE H 1 125 PHE H 5.000 . 5.000 3.740 3.594 3.867 . 0 0 "[ . 1 . 2]" 1
147 1 18 PHE QB 1 125 PHE H 5.000 . 5.000 3.364 3.143 3.513 . 0 0 "[ . 1 . 2]" 1
148 1 18 PHE H 1 126 LEU HA 4.000 . 4.000 2.886 2.635 3.452 . 0 0 "[ . 1 . 2]" 1
149 1 18 PHE H 1 126 LEU H 5.500 3.500 5.500 5.047 4.823 5.458 . 0 0 "[ . 1 . 2]" 1
150 1 18 PHE QB 1 20 LYS H 4.000 . 4.000 3.113 3.036 3.173 . 0 0 "[ . 1 . 2]" 1
151 1 18 PHE HA 1 20 LYS H 4.500 3.500 4.500 4.417 4.331 4.463 . 0 0 "[ . 1 . 2]" 1
152 1 18 PHE H 1 20 LYS H 5.000 3.000 5.000 4.979 4.851 5.033 0.033 7 0 "[ . 1 . 2]" 1
153 1 18 PHE H 1 18 PHE QB 3.200 . 3.200 2.468 2.409 2.580 . 0 0 "[ . 1 . 2]" 1
154 1 18 PHE HA 1 19 ARG H 3.000 . 3.000 2.174 2.150 2.187 . 0 0 "[ . 1 . 2]" 1
155 1 18 PHE QB 1 19 ARG H 3.700 2.300 3.700 3.246 3.216 3.308 . 0 0 "[ . 1 . 2]" 1
156 1 18 PHE H 1 19 ARG H 4.400 2.900 4.400 4.373 4.256 4.412 0.012 5 0 "[ . 1 . 2]" 1
157 1 19 ARG H 1 20 LYS QG 5.000 . 5.000 3.242 2.925 3.677 . 0 0 "[ . 1 . 2]" 1
158 1 19 ARG H 1 125 PHE H 5.700 3.700 5.700 5.686 5.634 5.737 0.037 18 0 "[ . 1 . 2]" 1
159 1 19 ARG H 1 19 ARG QG 3.000 . 3.000 2.013 1.773 2.456 0.027 17 0 "[ . 1 . 2]" 1
160 1 19 ARG H 1 19 ARG QB 3.200 . 3.200 2.722 2.448 2.884 . 0 0 "[ . 1 . 2]" 1
161 1 19 ARG H 1 20 LYS H . 2.400 3.500 3.475 3.407 3.503 0.003 20 0 "[ . 1 . 2]" 1
162 1 19 ARG H 1 19 ARG QD 4.500 3.300 4.500 3.892 3.725 4.111 . 0 0 "[ . 1 . 2]" 1
163 1 19 ARG QG 1 20 LYS H . 3.000 5.000 4.212 4.003 4.478 . 0 0 "[ . 1 . 2]" 1
164 1 19 ARG QB 1 20 LYS H 4.500 . 4.500 3.969 3.908 4.010 . 0 0 "[ . 1 . 2]" 1
165 1 20 LYS H 1 20 LYS QE 5.000 3.300 5.000 4.298 4.100 4.508 . 0 0 "[ . 1 . 2]" 1
166 1 19 ARG HA 1 20 LYS H 4.000 . 4.000 2.606 2.592 2.619 . 0 0 "[ . 1 . 2]" 1
167 1 20 LYS H 1 124 HIS HA 5.000 3.000 5.000 3.002 2.967 3.093 0.033 9 0 "[ . 1 . 2]" 1
168 1 20 LYS H 1 124 HIS QB 5.300 3.300 5.300 3.830 3.642 4.109 . 0 0 "[ . 1 . 2]" 1
169 1 20 LYS H 1 125 PHE H 5.000 . 5.000 3.646 3.546 3.777 . 0 0 "[ . 1 . 2]" 1
170 1 20 LYS HA 1 21 LEU H . . 3.000 2.242 2.217 2.273 . 0 0 "[ . 1 . 2]" 1
171 1 20 LYS H 1 20 LYS QB 3.500 . 3.500 2.712 2.555 3.244 . 0 0 "[ . 1 . 2]" 1
172 1 20 LYS H 1 20 LYS QG 4.000 . 4.000 2.860 2.041 3.261 . 0 0 "[ . 1 . 2]" 1
173 1 20 LYS H 1 21 LEU H 4.500 3.000 4.500 4.397 4.343 4.435 . 0 0 "[ . 1 . 2]" 1
174 1 20 LYS QB 1 21 LEU H 4.000 . 4.000 2.998 2.881 3.116 . 0 0 "[ . 1 . 2]" 1
175 1 21 LEU H 1 124 HIS HA 5.000 . 5.000 4.946 4.741 5.019 0.019 9 0 "[ . 1 . 2]" 1
176 1 21 LEU QB 1 123 GLN H 5.000 . 5.000 4.096 3.896 4.272 . 0 0 "[ . 1 . 2]" 1
177 1 21 LEU H 1 21 LEU HG 4.500 . 4.500 3.132 1.973 3.871 0.027 14 0 "[ . 1 . 2]" 1
178 1 21 LEU H 1 21 LEU QD 4.500 . 4.500 2.158 1.750 2.838 0.250 3 0 "[ . 1 . 2]" 1
179 1 21 LEU H 1 21 LEU QB 4.500 . 4.500 2.432 2.268 2.864 . 0 0 "[ . 1 . 2]" 1
180 1 21 LEU HA 1 22 ARG H 4.500 . 4.500 2.186 2.167 2.202 . 0 0 "[ . 1 . 2]" 1
181 1 21 LEU QB 1 22 ARG H 4.200 2.200 4.200 3.600 3.567 3.631 . 0 0 "[ . 1 . 2]" 1
182 1 21 LEU H 1 22 ARG H 4.200 2.700 4.200 4.280 4.260 4.296 0.096 2 0 "[ . 1 . 2]" 1
183 1 22 ARG H 1 125 PHE QD 5.000 . 5.000 2.997 2.755 3.167 . 0 0 "[ . 1 . 2]" 1
184 1 22 ARG H 1 124 HIS HA 5.000 . 5.000 3.853 3.726 4.034 . 0 0 "[ . 1 . 2]" 1
185 1 22 ARG H 1 123 GLN H . . 4.000 2.620 2.486 2.779 . 0 0 "[ . 1 . 2]" 1
186 1 22 ARG HA 1 123 GLN H 5.000 . 5.000 4.253 4.121 4.371 . 0 0 "[ . 1 . 2]" 1
187 1 22 ARG QB 1 27 ALA H 5.000 . 5.000 3.512 3.285 3.668 . 0 0 "[ . 1 . 2]" 1
188 1 22 ARG QB 1 26 ASP H 5.200 3.200 5.200 4.395 4.095 4.562 . 0 0 "[ . 1 . 2]" 1
189 1 22 ARG HA 1 27 ALA H 5.700 3.200 5.700 5.526 5.392 5.654 . 0 0 "[ . 1 . 2]" 1
190 1 22 ARG HA 1 23 ASN H 4.500 . 4.500 2.215 2.182 2.246 . 0 0 "[ . 1 . 2]" 1
191 1 22 ARG H 1 22 ARG QG 5.000 . 5.000 3.048 2.728 4.029 . 0 0 "[ . 1 . 2]" 1
192 1 22 ARG QB 1 23 ASN H 5.000 . 5.000 3.075 2.989 3.153 . 0 0 "[ . 1 . 2]" 1
193 1 22 ARG H 1 23 ASN H 5.000 . 5.000 4.344 4.306 4.399 . 0 0 "[ . 1 . 2]" 1
194 1 22 ARG H 1 23 ASN HA 5.000 . 5.000 4.843 4.768 4.913 . 0 0 "[ . 1 . 2]" 1
195 1 23 ASN H 1 122 ARG QG 5.000 3.000 5.000 3.023 2.133 4.583 0.867 16 12 "[- *** **1* * .+***2]" 1
196 1 23 ASN H 1 122 ARG HA 5.000 3.000 5.000 3.004 2.944 3.115 0.056 15 0 "[ . 1 . 2]" 1
197 1 23 ASN HA 1 123 GLN H 5.000 3.000 5.000 3.373 3.290 3.460 . 0 0 "[ . 1 . 2]" 1
198 1 23 ASN QB 1 120 ASN H 5.300 3.800 5.300 4.457 4.023 4.798 . 0 0 "[ . 1 . 2]" 1
199 1 23 ASN HA 1 121 LYS H 5.000 . 5.000 4.285 3.856 4.808 . 0 0 "[ . 1 . 2]" 1
200 1 23 ASN QB 1 121 LYS H 5.000 2.500 5.000 4.045 3.761 4.474 . 0 0 "[ . 1 . 2]" 1
201 1 23 ASN HA 1 122 ARG H 4.200 2.700 4.200 4.159 4.049 4.233 0.033 3 0 "[ . 1 . 2]" 1
202 1 23 ASN QB 1 122 ARG H 5.000 . 5.000 3.885 3.739 4.000 . 0 0 "[ . 1 . 2]" 1
203 1 23 ASN H 1 122 ARG H 5.000 . 5.000 5.001 4.777 5.074 0.074 9 0 "[ . 1 . 2]" 1
204 1 23 ASN H 1 123 GLN H 5.000 . 5.000 4.416 4.321 4.549 . 0 0 "[ . 1 . 2]" 1
205 1 23 ASN QB 1 123 GLN H 5.500 3.500 5.500 4.926 4.872 4.969 . 0 0 "[ . 1 . 2]" 1
206 1 23 ASN QD 1 25 SER H 5.000 2.800 5.000 3.664 2.730 4.525 0.070 7 0 "[ . 1 . 2]" 1
207 1 23 ASN QB 1 25 SER H 5.000 . 5.000 2.593 2.472 2.718 . 0 0 "[ . 1 . 2]" 1
208 1 23 ASN HA 1 25 SER H 5.000 . 5.000 4.121 4.004 4.216 . 0 0 "[ . 1 . 2]" 1
209 1 23 ASN H 1 25 SER H 5.200 3.200 5.200 5.100 4.967 5.173 . 0 0 "[ . 1 . 2]" 1
210 1 23 ASN QD 1 26 ASP H 5.000 . 5.000 2.589 2.035 3.093 . 0 0 "[ . 1 . 2]" 1
211 1 23 ASN H 1 26 ASP HB2 5.000 . 5.000 3.541 2.744 4.250 . 0 0 "[ . 1 . 2]" 1
212 1 23 ASN H 1 26 ASP H 5.000 . 5.000 4.020 3.847 4.136 . 0 0 "[ . 1 . 2]" 1
213 1 23 ASN H 1 27 ALA H 5.000 2.500 5.000 4.562 4.477 4.646 . 0 0 "[ . 1 . 2]" 1
214 1 23 ASN QD 1 27 ALA H 5.000 . 5.000 4.251 4.015 4.491 . 0 0 "[ . 1 . 2]" 1
215 1 23 ASN H 1 27 ALA MB 5.800 4.000 5.800 4.579 4.552 4.610 . 0 0 "[ . 1 . 2]" 1
216 1 23 ASN H 1 23 ASN QB 4.000 . 4.000 2.662 2.567 2.749 . 0 0 "[ . 1 . 2]" 1
217 1 23 ASN H 1 23 ASN QD 4.000 . 4.000 2.522 1.244 3.641 0.756 14 7 "[* * . *1 - +. **]" 1
218 1 23 ASN QB 1 24 TRP H . . 3.500 2.696 2.495 2.884 . 0 0 "[ . 1 . 2]" 1
219 1 23 ASN H 1 24 TRP H 5.000 3.500 5.000 4.671 4.649 4.683 . 0 0 "[ . 1 . 2]" 1
220 1 23 ASN HA 1 24 TRP H 3.200 . 3.200 2.323 2.253 2.382 . 0 0 "[ . 1 . 2]" 1
221 1 24 TRP HA 1 40 LEU QD 5.500 3.000 5.500 3.201 3.114 3.360 . 0 0 "[ . 1 . 2]" 1
222 1 24 TRP HA 1 27 ALA MB 4.000 2.500 4.000 2.194 2.158 2.220 0.342 18 0 "[ . 1 . 2]" 1
223 1 24 TRP H 1 26 ASP H 4.500 3.000 4.500 4.459 4.365 4.523 0.023 20 0 "[ . 1 . 2]" 1
224 1 24 TRP H 1 27 ALA MB . 3.200 5.000 4.070 4.042 4.103 . 0 0 "[ . 1 . 2]" 1
225 1 24 TRP H 1 120 ASN HA 4.300 2.800 4.300 4.304 3.975 4.374 0.074 18 0 "[ . 1 . 2]" 1
226 1 24 TRP H 1 120 ASN H 5.500 3.500 5.500 4.809 4.431 5.378 . 0 0 "[ . 1 . 2]" 1
227 1 24 TRP H 1 121 LYS H 5.000 3.000 5.000 4.342 3.798 5.035 0.035 15 0 "[ . 1 . 2]" 1
228 1 24 TRP H 1 123 GLN H 5.300 3.300 5.300 4.926 4.698 5.215 . 0 0 "[ . 1 . 2]" 1
229 1 24 TRP HA 1 26 ASP H 4.700 2.200 4.700 4.513 4.470 4.551 . 0 0 "[ . 1 . 2]" 1
230 1 24 TRP HA 1 27 ALA H . . 4.500 3.287 3.235 3.345 . 0 0 "[ . 1 . 2]" 1
231 1 24 TRP H 1 24 TRP QB 3.500 . 3.500 2.265 2.252 2.279 . 0 0 "[ . 1 . 2]" 1
232 1 24 TRP H 1 25 SER H 3.500 . 3.500 2.796 2.729 2.927 . 0 0 "[ . 1 . 2]" 1
233 1 24 TRP HA 1 25 SER H . . 3.500 3.524 3.517 3.533 0.033 12 0 "[ . 1 . 2]" 1
234 1 24 TRP QB 1 25 SER H . . 4.000 2.816 2.759 2.854 . 0 0 "[ . 1 . 2]" 1
235 1 25 SER H 1 120 ASN HA 5.500 2.500 5.500 4.504 4.071 4.819 . 0 0 "[ . 1 . 2]" 1
236 1 25 SER H 1 120 ASN QD 5.000 . 5.000 4.304 4.228 4.426 . 0 0 "[ . 1 . 2]" 1
237 1 25 SER H 1 27 ALA MB 5.500 2.500 5.500 4.396 4.371 4.448 . 0 0 "[ . 1 . 2]" 1
238 1 25 SER H 1 25 SER QB 4.500 . 4.500 2.333 2.159 2.751 . 0 0 "[ . 1 . 2]" 1
239 1 25 SER QB 1 26 ASP H 4.500 . 4.500 2.717 2.431 3.292 . 0 0 "[ . 1 . 2]" 1
240 1 25 SER H 1 26 ASP H 3.500 . 3.500 2.615 2.556 2.666 . 0 0 "[ . 1 . 2]" 1
241 1 25 SER H 1 26 ASP QB 5.300 3.300 5.300 4.496 4.472 4.524 . 0 0 "[ . 1 . 2]" 1
242 1 25 SER H 1 26 ASP HA 5.300 3.800 5.300 5.296 5.253 5.330 0.030 10 0 "[ . 1 . 2]" 1
243 1 25 SER HA 1 26 ASP H 3.500 . 3.500 3.549 3.541 3.555 0.055 2 0 "[ . 1 . 2]" 1
244 1 26 ASP H 1 27 ALA MB 5.000 . 5.000 4.043 4.038 4.053 . 0 0 "[ . 1 . 2]" 1
245 1 26 ASP H 1 28 GLU H 5.000 . 5.000 4.371 4.331 4.409 . 0 0 "[ . 1 . 2]" 1
246 1 26 ASP HA 1 28 GLU H 5.000 . 5.000 4.734 4.632 4.789 . 0 0 "[ . 1 . 2]" 1
247 1 26 ASP HA 1 30 GLU H 5.000 . 5.000 3.911 3.642 4.142 . 0 0 "[ . 1 . 2]" 1
248 1 26 ASP H 1 26 ASP QB 3.500 . 3.500 2.289 2.246 2.311 . 0 0 "[ . 1 . 2]" 1
249 1 26 ASP H 1 27 ALA H 3.500 . 3.500 2.360 2.350 2.368 . 0 0 "[ . 1 . 2]" 1
250 1 26 ASP QB 1 27 ALA H 5.000 2.500 5.000 2.901 2.851 2.925 . 0 0 "[ . 1 . 2]" 1
251 1 27 ALA MB 1 125 PHE QB 5.000 2.500 5.000 2.434 2.096 2.686 0.404 12 0 "[ . 1 . 2]" 1
252 1 27 ALA MB 1 40 LEU QD . 2.500 4.500 2.366 2.262 2.444 0.238 4 0 "[ . 1 . 2]" 1
253 1 27 ALA MB 1 40 LEU HG 5.000 2.500 5.000 3.994 3.919 4.033 . 0 0 "[ . 1 . 2]" 1
254 1 27 ALA MB 1 125 PHE QE 5.000 2.500 5.000 3.637 3.351 3.883 . 0 0 "[ . 1 . 2]" 1
255 1 25 SER HA 1 27 ALA H 4.200 2.200 4.200 4.208 4.176 4.238 0.038 20 0 "[ . 1 . 2]" 1
256 1 26 ASP HA 1 27 ALA H 3.500 . 3.500 3.464 3.458 3.474 . 0 0 "[ . 1 . 2]" 1
257 1 27 ALA HA 1 30 GLU H 5.000 . 5.000 3.588 3.282 3.717 . 0 0 "[ . 1 . 2]" 1
258 1 27 ALA H 1 30 GLU H 5.000 2.500 5.000 4.530 4.449 4.606 . 0 0 "[ . 1 . 2]" 1
259 1 27 ALA H 1 30 GLU QB 5.200 2.200 5.200 4.697 4.548 4.730 . 0 0 "[ . 1 . 2]" 1
260 1 27 ALA H 1 27 ALA MB 4.500 . 4.500 2.217 2.201 2.229 . 0 0 "[ . 1 . 2]" 1
261 1 27 ALA H 1 28 GLU QB 5.000 2.500 5.000 4.430 4.373 4.453 . 0 0 "[ . 1 . 2]" 1
262 1 27 ALA MB 1 28 GLU H 4.500 2.500 4.500 2.273 2.250 2.338 0.250 11 0 "[ . 1 . 2]" 1
263 1 27 ALA H 1 28 GLU H 5.000 . 5.000 2.667 2.643 2.681 . 0 0 "[ . 1 . 2]" 1
264 1 27 ALA HA 1 28 GLU H . 2.500 5.000 3.582 3.578 3.587 . 0 0 "[ . 1 . 2]" 1
265 1 28 GLU H 1 40 LEU QD 5.500 3.500 5.500 3.297 3.084 3.405 0.416 15 0 "[ . 1 . 2]" 1
266 1 28 GLU HA 1 30 GLU H 5.000 . 5.000 4.226 4.106 4.510 . 0 0 "[ . 1 . 2]" 1
267 1 28 GLU H 1 30 GLU H 5.000 . 5.000 4.033 3.983 4.159 . 0 0 "[ . 1 . 2]" 1
268 1 28 GLU HA 1 31 CYS H . 2.500 4.500 3.407 3.249 3.638 . 0 0 "[ . 1 . 2]" 1
269 1 28 GLU H 1 28 GLU QB 4.500 . 4.500 2.266 2.239 2.283 . 0 0 "[ . 1 . 2]" 1
270 1 26 ASP HA 1 29 LEU H . 2.500 5.000 3.685 3.481 3.855 . 0 0 "[ . 1 . 2]" 1
271 1 27 ALA H 1 29 LEU H . 2.500 5.000 4.032 3.803 4.207 . 0 0 "[ . 1 . 2]" 1
272 1 28 GLU HA 1 29 LEU H . 2.500 5.000 3.569 3.532 3.589 . 0 0 "[ . 1 . 2]" 1
273 1 28 GLU QB 1 29 LEU H . 2.500 5.000 2.419 2.309 2.612 0.191 13 0 "[ . 1 . 2]" 1
274 1 29 LEU H 1 31 CYS H 5.000 . 5.000 4.112 3.998 4.393 . 0 0 "[ . 1 . 2]" 1
275 1 29 LEU H 1 32 GLN H 5.200 3.200 5.200 5.160 4.964 5.256 0.056 15 0 "[ . 1 . 2]" 1
276 1 29 LEU QB 1 30 GLU H 4.500 2.500 4.500 2.684 2.542 2.823 . 0 0 "[ . 1 . 2]" 1
277 1 29 LEU H 1 30 GLU H 4.500 2.500 4.500 2.696 2.580 2.795 . 0 0 "[ . 1 . 2]" 1
278 1 29 LEU QD 1 30 GLU H 5.400 3.400 5.400 3.916 3.479 4.114 . 0 0 "[ . 1 . 2]" 1
279 1 29 LEU HA 1 30 GLU H 5.500 2.500 5.500 3.532 3.515 3.563 . 0 0 "[ . 1 . 2]" 1
280 1 30 GLU H 1 30 GLU QB 4.500 . 4.500 2.266 2.225 2.278 . 0 0 "[ . 1 . 2]" 1
281 1 30 GLU H 1 31 CYS H 3.500 . 3.500 2.643 2.591 2.803 . 0 0 "[ . 1 . 2]" 1
282 1 30 GLU QB 1 31 CYS H 4.500 . 4.500 2.848 2.490 3.020 . 0 0 "[ . 1 . 2]" 1
283 1 30 GLU H 1 31 CYS HA 5.500 2.300 5.500 5.304 5.250 5.436 . 0 0 "[ . 1 . 2]" 1
284 1 29 LEU MD1 1 30 GLU H 5.500 2.300 5.500 4.344 4.201 4.521 . 0 0 "[ . 1 . 2]" 1
285 1 30 GLU HA 1 31 CYS H . 3.500 3.500 3.502 3.466 3.560 0.060 12 0 "[ . 1 . 2]" 1
286 1 31 CYS H 1 33 SER QB 5.500 3.500 5.500 4.415 4.181 4.610 . 0 0 "[ . 1 . 2]" 1
287 1 31 CYS H 1 39 HIS HA . 3.500 5.000 4.807 4.702 4.942 . 0 0 "[ . 1 . 2]" 1
288 1 31 CYS QB 1 39 HIS H 5.000 2.500 5.000 3.227 3.069 3.303 . 0 0 "[ . 1 . 2]" 1
289 1 31 CYS QB 1 128 LYS H 5.000 . 5.000 3.935 3.139 4.150 . 0 0 "[ . 1 . 2]" 1
290 1 31 CYS H 1 33 SER H 5.000 . 5.000 3.539 3.398 3.729 . 0 0 "[ . 1 . 2]" 1
291 1 31 CYS HA 1 34 TYR H 5.000 . 5.000 4.122 4.061 4.348 . 0 0 "[ . 1 . 2]" 1
292 1 31 CYS H 1 31 CYS QB 4.500 . 4.500 2.333 2.260 2.688 . 0 0 "[ . 1 . 2]" 1
293 1 31 CYS H 1 32 GLN H . . 3.000 2.738 2.676 2.867 . 0 0 "[ . 1 . 2]" 1
294 1 31 CYS QB 1 32 GLN H . 2.500 4.500 2.184 1.946 2.250 0.554 15 1 "[ . 1 + 2]" 1
295 1 31 CYS H 1 32 GLN QG 5.500 2.300 5.500 3.730 3.387 4.431 . 0 0 "[ . 1 . 2]" 1
296 1 31 CYS H 1 32 GLN HA 5.400 3.400 5.400 5.306 5.235 5.420 0.020 15 0 "[ . 1 . 2]" 1
297 1 29 LEU HA 1 32 GLN H 4.500 2.500 4.500 3.776 3.445 3.978 . 0 0 "[ . 1 . 2]" 1
298 1 32 GLN H 1 39 HIS HA 5.000 . 5.000 3.577 3.380 3.895 . 0 0 "[ . 1 . 2]" 1
299 1 32 GLN H 1 38 ALA MB 5.000 . 5.000 3.779 3.458 3.864 . 0 0 "[ . 1 . 2]" 1
300 1 32 GLN HA 1 39 HIS H 5.500 3.500 5.500 5.485 5.130 5.536 0.036 5 0 "[ . 1 . 2]" 1
301 1 32 GLN H 1 34 TYR H 5.000 . 5.000 4.578 4.541 4.681 . 0 0 "[ . 1 . 2]" 1
302 1 32 GLN QB 1 34 TYR H 5.500 2.500 5.500 4.689 4.519 4.760 . 0 0 "[ . 1 . 2]" 1
303 1 32 GLN HA 1 35 GLY H 5.000 . 5.000 3.206 3.116 3.323 . 0 0 "[ . 1 . 2]" 1
304 1 32 GLN QB 1 35 GLY H 5.500 2.500 5.500 3.995 3.845 4.082 . 0 0 "[ . 1 . 2]" 1
305 1 32 GLN QG 1 35 GLY H 5.500 2.500 5.500 4.703 4.303 4.960 . 0 0 "[ . 1 . 2]" 1
306 1 32 GLN H 1 32 GLN QB 4.500 . 4.500 2.492 2.309 2.651 . 0 0 "[ . 1 . 2]" 1
307 1 32 GLN H 1 32 GLN QG 4.500 . 4.500 2.159 1.930 2.536 0.070 9 0 "[ . 1 . 2]" 1
308 1 32 GLN QG 1 33 SER H 4.700 2.200 4.700 2.815 2.541 4.235 . 0 0 "[ . 1 . 2]" 1
309 1 32 GLN H 1 33 SER H . 2.500 4.000 2.805 2.776 2.825 . 0 0 "[ . 1 . 2]" 1
310 1 32 GLN QB 1 33 SER H 5.000 . 5.000 3.654 3.141 3.773 . 0 0 "[ . 1 . 2]" 1
311 1 33 SER H 1 38 ALA MB 5.300 3.300 5.300 4.133 4.001 4.185 . 0 0 "[ . 1 . 2]" 1
312 1 33 SER H 1 33 SER QB 4.500 . 4.500 2.337 2.246 2.596 . 0 0 "[ . 1 . 2]" 1
313 1 33 SER H 1 34 TYR H . . 4.000 2.722 2.707 2.781 . 0 0 "[ . 1 . 2]" 1
314 1 33 SER QB 1 34 TYR H 5.000 . 5.000 3.106 2.883 3.590 . 0 0 "[ . 1 . 2]" 1
315 1 32 GLN HA 1 33 SER H 4.500 . 4.500 3.392 3.375 3.400 . 0 0 "[ . 1 . 2]" 1
316 1 34 TYR QB 1 36 ASN H 5.000 . 5.000 2.460 2.444 2.527 . 0 0 "[ . 1 . 2]" 1
317 1 34 TYR H 1 36 ASN H 4.500 2.500 4.500 3.948 3.893 3.987 . 0 0 "[ . 1 . 2]" 1
318 1 34 TYR H 1 38 ALA MB 5.000 . 5.000 3.119 3.054 3.327 . 0 0 "[ . 1 . 2]" 1
319 1 34 TYR QB 1 38 ALA H 5.500 3.500 5.500 3.535 3.397 3.850 0.103 4 0 "[ . 1 . 2]" 1
320 1 34 TYR QB 1 37 GLY H 5.500 2.500 5.500 4.361 4.304 4.551 . 0 0 "[ . 1 . 2]" 1
321 1 34 TYR H 1 34 TYR QB 4.500 . 4.500 2.304 2.288 2.325 . 0 0 "[ . 1 . 2]" 1
322 1 34 TYR QB 1 35 GLY H 5.000 . 5.000 3.163 3.155 3.177 . 0 0 "[ . 1 . 2]" 1
323 1 35 GLY QA 1 37 GLY H 5.000 . 5.000 2.968 2.936 2.982 . 0 0 "[ . 1 . 2]" 1
324 1 35 GLY H 1 37 GLY H 5.000 2.500 5.000 3.818 3.747 3.888 . 0 0 "[ . 1 . 2]" 1
325 1 35 GLY H 1 38 ALA MB 5.000 . 5.000 3.910 3.892 4.004 . 0 0 "[ . 1 . 2]" 1
326 1 35 GLY H 1 38 ALA H 5.000 . 5.000 4.116 4.071 4.161 . 0 0 "[ . 1 . 2]" 1
327 1 35 GLY QA 1 38 ALA H 5.000 . 5.000 4.352 4.297 4.383 . 0 0 "[ . 1 . 2]" 1
328 1 35 GLY H 1 35 GLY QA 4.500 . 4.500 2.241 2.238 2.244 . 0 0 "[ . 1 . 2]" 1
329 1 35 GLY H 1 36 ASN H 5.000 . 5.000 2.794 2.720 2.818 . 0 0 "[ . 1 . 2]" 1
330 1 35 GLY QA 1 36 ASN H 5.000 . 5.000 2.936 2.931 2.944 . 0 0 "[ . 1 . 2]" 1
331 1 36 ASN QB 1 130 ARG H 5.000 . 5.000 4.099 3.691 4.423 . 0 0 "[ . 1 . 2]" 1
332 1 36 ASN H 1 38 ALA MB 5.000 . 5.000 3.595 3.578 3.638 . 0 0 "[ . 1 . 2]" 1
333 1 36 ASN QB 1 38 ALA H 5.000 2.500 5.000 3.339 3.263 4.158 . 0 0 "[ . 1 . 2]" 1
334 1 36 ASN H 1 38 ALA H 5.000 . 5.000 3.097 3.063 3.139 . 0 0 "[ . 1 . 2]" 1
335 1 36 ASN H 1 36 ASN QB . . 3.000 2.342 2.266 2.543 . 0 0 "[ . 1 . 2]" 1
336 1 36 ASN HA 1 37 GLY H 4.500 2.500 4.500 3.129 3.115 3.167 . 0 0 "[ . 1 . 2]" 1
337 1 36 ASN H 1 36 ASN QD 5.000 . 5.000 3.424 2.108 4.270 . 0 0 "[ . 1 . 2]" 1
338 1 36 ASN H 1 37 GLY H . . 2.500 2.601 2.586 2.609 0.109 2 0 "[ . 1 . 2]" 1
339 1 36 ASN QB 1 37 GLY H 5.000 2.500 5.000 3.577 3.527 3.931 . 0 0 "[ . 1 . 2]" 1
340 1 36 ASN QD 1 37 GLY H 5.000 . 5.000 4.050 3.456 4.304 . 0 0 "[ . 1 . 2]" 1
341 1 37 GLY H 1 37 GLY QA 4.500 . 4.500 2.289 2.281 2.296 . 0 0 "[ . 1 . 2]" 1
342 1 37 GLY H 1 38 ALA H . . 2.500 2.278 2.227 2.308 . 0 0 "[ . 1 . 2]" 1
343 1 37 GLY QA 1 38 ALA H 4.500 2.500 4.500 2.866 2.851 2.885 . 0 0 "[ . 1 . 2]" 1
344 1 37 GLY H 1 38 ALA MB 5.000 . 5.000 3.960 3.904 4.010 . 0 0 "[ . 1 . 2]" 1
345 1 38 ALA H 1 129 TYR QD 5.500 3.500 5.500 4.675 4.419 5.042 . 0 0 "[ . 1 . 2]" 1
346 1 36 ASN HA 1 38 ALA H 4.500 2.500 4.500 4.512 4.507 4.523 0.023 5 0 "[ . 1 . 2]" 1
347 1 31 CYS QB 1 38 ALA H 5.500 2.500 5.500 4.754 4.727 4.958 . 0 0 "[ . 1 . 2]" 1
348 1 38 ALA MB 1 130 ARG H 5.500 2.500 5.500 4.353 4.192 4.469 . 0 0 "[ . 1 . 2]" 1
349 1 38 ALA H 1 130 ARG H 5.000 . 5.000 4.925 4.803 5.015 0.015 15 0 "[ . 1 . 2]" 1
350 1 38 ALA H 1 38 ALA MB 4.500 . 4.500 2.188 2.173 2.236 . 0 0 "[ . 1 . 2]" 1
351 1 38 ALA HA 1 39 HIS H . . 4.000 2.223 2.203 2.297 . 0 0 "[ . 1 . 2]" 1
352 1 38 ALA MB 1 39 HIS H 5.000 2.500 5.000 3.023 2.751 3.113 . 0 0 "[ . 1 . 2]" 1
353 1 38 ALA H 1 39 HIS H 5.000 . 5.000 4.621 4.595 4.671 . 0 0 "[ . 1 . 2]" 1
354 1 39 HIS H 1 128 LYS H 4.500 2.500 4.500 2.842 2.617 2.930 . 0 0 "[ . 1 . 2]" 1
355 1 39 HIS H 1 128 LYS QG 5.500 3.500 5.500 4.445 4.139 4.691 . 0 0 "[ . 1 . 2]" 1
356 1 39 HIS H 1 127 CYS HA 5.400 4.000 5.400 4.629 4.443 4.737 . 0 0 "[ . 1 . 2]" 1
357 1 39 HIS H 1 128 LYS QB 5.000 . 5.000 3.196 2.981 3.492 . 0 0 "[ . 1 . 2]" 1
358 1 39 HIS QB 1 128 LYS H 5.600 4.100 5.600 4.793 4.459 5.043 . 0 0 "[ . 1 . 2]" 1
359 1 39 HIS H 1 129 TYR H 5.500 2.500 5.500 5.194 4.995 5.335 . 0 0 "[ . 1 . 2]" 1
360 1 39 HIS H 1 130 ARG H 5.500 2.500 5.500 5.478 5.254 5.533 0.033 2 0 "[ . 1 . 2]" 1
361 1 39 HIS QB 1 40 LEU H 5.000 . 5.000 2.294 2.163 3.113 . 0 0 "[ . 1 . 2]" 1
362 1 40 LEU QD 1 125 PHE QB 5.200 3.200 5.200 2.170 2.083 2.280 1.117 7 20 [******+**********-**] 1
363 1 31 CYS QB 1 40 LEU H . 3.500 5.000 3.917 3.822 4.290 . 0 0 "[ . 1 . 2]" 1
364 1 40 LEU HA 1 128 LYS H 5.000 3.000 5.000 3.620 3.470 3.853 . 0 0 "[ . 1 . 2]" 1
365 1 40 LEU QB 1 67 ILE H 5.500 4.000 5.500 4.251 4.148 4.347 . 0 0 "[ . 1 . 2]" 1
366 1 40 LEU QB 1 68 GLY H 5.000 3.000 5.000 2.870 2.726 2.959 0.274 11 0 "[ . 1 . 2]" 1
367 1 40 LEU QD 1 68 GLY H 5.500 3.500 5.500 3.997 3.862 4.083 . 0 0 "[ . 1 . 2]" 1
368 1 40 LEU QB 1 69 LEU H 5.500 2.500 5.500 4.279 4.217 4.416 . 0 0 "[ . 1 . 2]" 1
369 1 40 LEU HA 1 126 LEU H 5.000 . 5.000 4.738 4.530 4.955 . 0 0 "[ . 1 . 2]" 1
370 1 40 LEU QD 1 126 LEU H 5.000 3.000 5.000 2.810 2.542 2.983 0.458 12 0 "[ . 1 . 2]" 1
371 1 40 LEU HA 1 127 CYS H 5.000 . 5.000 5.017 4.978 5.044 0.044 15 0 "[ . 1 . 2]" 1
372 1 40 LEU HA 1 41 ALA H . . 3.000 2.320 2.303 2.337 . 0 0 "[ . 1 . 2]" 1
373 1 40 LEU H 1 40 LEU HG 5.000 . 5.000 2.292 2.195 2.413 . 0 0 "[ . 1 . 2]" 1
374 1 40 LEU QB 1 41 ALA H . . 3.500 2.652 2.631 2.673 . 0 0 "[ . 1 . 2]" 1
375 1 39 HIS HA 1 40 LEU H 3.500 . 3.500 2.557 2.548 2.572 . 0 0 "[ . 1 . 2]" 1
376 1 40 LEU H 1 40 LEU QD 5.000 . 5.000 3.131 3.064 3.201 . 0 0 "[ . 1 . 2]" 1
377 1 40 LEU QD 1 41 ALA H . 3.500 4.200 3.148 3.032 3.231 0.468 1 0 "[ . 1 . 2]" 1
378 1 41 ALA MB 1 52 ILE MD 5.500 3.500 5.500 3.538 3.366 3.645 0.134 19 0 "[ . 1 . 2]" 1
379 1 40 LEU H 1 41 ALA H 5.000 3.000 5.000 4.671 4.666 4.678 . 0 0 "[ . 1 . 2]" 1
380 1 41 ALA HA 1 41 ALA MB 4.000 . 4.000 2.138 2.135 2.142 . 0 0 "[ . 1 . 2]" 1
381 1 41 ALA MB 1 126 LEU QB 5.200 3.200 5.200 2.710 2.378 3.091 0.822 9 11 "[*- *** +1** .** *2]" 1
382 1 41 ALA MB 1 67 ILE HA 4.500 2.500 4.500 2.772 2.579 3.058 . 0 0 "[ . 1 . 2]" 1
383 1 41 ALA H 1 127 CYS HA 4.200 3.000 4.200 3.802 3.432 4.195 . 0 0 "[ . 1 . 2]" 1
384 1 41 ALA H 1 67 ILE HA 3.200 . 3.200 3.246 3.217 3.280 0.080 11 0 "[ . 1 . 2]" 1
385 1 41 ALA H 1 67 ILE HB 5.000 . 5.000 4.917 4.745 5.020 0.020 6 0 "[ . 1 . 2]" 1
386 1 41 ALA H 1 68 GLY H . 3.200 4.000 3.770 3.636 3.866 . 0 0 "[ . 1 . 2]" 1
387 1 41 ALA H 1 126 LEU QD 5.500 2.500 5.500 2.914 2.392 3.448 0.108 4 0 "[ . 1 . 2]" 1
388 1 41 ALA HA 1 128 LYS H 5.300 3.800 5.300 4.679 4.445 4.999 . 0 0 "[ . 1 . 2]" 1
389 1 41 ALA H 1 128 LYS QB 4.500 2.500 4.500 3.865 3.664 4.087 . 0 0 "[ . 1 . 2]" 1
390 1 41 ALA HA 1 42 SER H . . 3.200 2.285 2.174 2.383 . 0 0 "[ . 1 . 2]" 1
391 1 41 ALA MB 1 42 SER H 4.500 3.000 4.500 2.806 2.553 3.198 0.447 17 0 "[ . 1 . 2]" 1
392 1 42 SER H 1 68 GLY H 5.000 3.500 5.000 4.833 4.515 5.017 0.017 4 0 "[ . 1 . 2]" 1
393 1 42 SER H 1 128 LYS QB 4.500 3.000 4.500 3.804 3.416 4.067 . 0 0 "[ . 1 . 2]" 1
394 1 42 SER H 1 128 LYS QD 4.200 2.700 4.200 2.897 2.516 3.491 0.184 16 0 "[ . 1 . 2]" 1
395 1 42 SER H 1 42 SER QB 3.000 . 3.000 2.618 2.478 2.745 . 0 0 "[ . 1 . 2]" 1
396 1 42 SER QB 1 43 ILE H 5.000 3.800 5.000 3.737 3.244 3.883 0.556 11 2 "[- . 1+ . 2]" 1
397 1 42 SER H 1 43 ILE H 4.500 3.000 4.500 4.212 4.063 4.519 0.019 1 0 "[ . 1 . 2]" 1
398 1 43 ILE MG 1 45 SER H 4.000 . 4.000 2.229 1.787 2.766 0.213 5 0 "[ . 1 . 2]" 1
399 1 43 ILE HB 1 43 ILE MG 4.000 . 4.000 2.143 2.137 2.149 . 0 0 "[ . 1 . 2]" 1
400 1 43 ILE HA 1 43 ILE MG 4.000 . 4.000 2.312 2.235 2.434 . 0 0 "[ . 1 . 2]" 1
401 1 42 SER HA 1 43 ILE H 3.000 . 3.000 2.203 2.176 2.265 . 0 0 "[ . 1 . 2]" 1
402 1 43 ILE MG 1 49 ALA H 5.000 3.000 5.000 2.516 2.100 3.206 0.900 20 8 "[ -**. 1 **.* * +]" 1
403 1 43 ILE HB 1 49 ALA H 5.600 3.600 5.600 4.910 4.045 5.641 0.041 1 0 "[ . 1 . 2]" 1
404 1 43 ILE MD 1 49 ALA H 5.600 3.600 5.600 3.662 2.730 4.598 0.870 12 4 "[ . - +* .* 2]" 1
405 1 43 ILE MG 1 48 GLU H 5.000 . 5.000 3.710 3.392 4.095 . 0 0 "[ . 1 . 2]" 1
406 1 43 ILE H 1 43 ILE MG 4.700 2.700 4.700 3.941 3.852 3.997 . 0 0 "[ . 1 . 2]" 1
407 1 43 ILE H 1 43 ILE HB 3.000 . 3.000 2.828 2.619 3.003 0.003 3 0 "[ . 1 . 2]" 1
408 1 43 ILE H 1 43 ILE MD 4.800 2.800 4.800 3.757 2.306 4.114 0.494 4 0 "[ . 1 . 2]" 1
409 1 43 ILE H 1 43 ILE QG 4.000 2.500 4.000 2.800 2.534 3.490 . 0 0 "[ . 1 . 2]" 1
410 1 44 LEU QD 1 84 ALA MB 5.000 3.500 5.000 2.159 1.990 2.235 1.510 3 20 [**+-****************] 1
411 1 44 LEU QD 1 84 ALA HA 5.500 2.500 5.500 3.123 2.807 3.462 . 0 0 "[ . 1 . 2]" 1
412 1 44 LEU QD 1 86 TYR HA 4.000 . 4.000 2.323 2.053 2.829 . 0 0 "[ . 1 . 2]" 1
413 1 44 LEU QD 1 85 MET QB 5.500 . 5.500 3.685 2.950 4.066 . 0 0 "[ . 1 . 2]" 1
414 1 43 ILE H 1 44 LEU H 5.000 3.000 5.000 4.329 4.155 4.448 . 0 0 "[ . 1 . 2]" 1
415 1 43 ILE MG 1 44 LEU H 4.000 2.500 4.000 2.504 1.951 2.944 0.549 5 1 "[ + 1 . 2]" 1
416 1 43 ILE QG 1 44 LEU H 5.300 3.800 5.300 4.407 4.041 4.809 . 0 0 "[ . 1 . 2]" 1
417 1 44 LEU H 1 45 SER H 3.000 . 3.000 2.003 1.931 2.165 . 0 0 "[ . 1 . 2]" 1
418 1 44 LEU H 1 45 SER HA 5.300 3.800 5.300 4.813 4.743 4.951 . 0 0 "[ . 1 . 2]" 1
419 1 44 LEU QD 1 85 MET H 4.000 3.000 4.000 2.472 2.002 2.730 0.998 4 10 "[ * +.** ** *. *-*2]" 1
420 1 44 LEU HG 1 85 MET H 5.500 3.500 5.500 5.314 4.811 5.518 0.018 3 0 "[ . 1 . 2]" 1
421 1 44 LEU QB 1 85 MET H 5.600 3.600 5.600 4.585 4.109 4.821 . 0 0 "[ . 1 . 2]" 1
422 1 44 LEU HA 1 86 TYR H 5.000 . 5.000 5.065 4.991 5.141 0.141 13 0 "[ . 1 . 2]" 1
423 1 44 LEU QD 1 45 SER HA 5.500 3.500 5.500 4.174 4.069 4.255 . 0 0 "[ . 1 . 2]" 1
424 1 44 LEU HA 1 45 SER H 3.500 . 3.500 3.483 3.415 3.516 0.016 18 0 "[ . 1 . 2]" 1
425 1 45 SER H 1 48 GLU QB 5.000 3.000 5.000 3.550 2.759 3.990 0.241 19 0 "[ . 1 . 2]" 1
426 1 45 SER H 1 48 GLU H 5.000 3.000 5.000 4.330 3.514 4.934 . 0 0 "[ . 1 . 2]" 1
427 1 45 SER H 1 49 ALA H 5.300 3.300 5.300 4.744 4.118 5.179 . 0 0 "[ . 1 . 2]" 1
428 1 46 LEU MD2 1 86 TYR QE 5.500 . 5.500 3.124 2.077 4.147 . 0 0 "[ . 1 . 2]" 1
429 1 46 LEU H 1 46 LEU QB 3.200 . 3.200 2.381 2.150 2.635 . 0 0 "[ . 1 . 2]" 1
430 1 45 SER QB 1 46 LEU H 3.500 . 3.500 2.764 2.260 3.117 . 0 0 "[ . 1 . 2]" 1
431 1 46 LEU H 1 86 TYR QE 5.000 3.000 5.000 3.314 2.950 4.241 0.050 20 0 "[ . 1 . 2]" 1
432 1 46 LEU H 1 86 TYR QD 5.700 3.700 5.700 5.142 4.309 5.559 . 0 0 "[ . 1 . 2]" 1
433 1 46 LEU HA 1 49 ALA H 5.000 . 5.000 3.226 3.005 3.428 . 0 0 "[ . 1 . 2]" 1
434 1 46 LEU H 1 47 LYS H 4.000 2.500 4.000 2.560 2.521 2.600 . 0 0 "[ . 1 . 2]" 1
435 1 47 LYS QG 1 48 GLU H 4.500 . 4.500 3.776 3.424 3.982 . 0 0 "[ . 1 . 2]" 1
436 1 47 LYS H 1 48 GLU H 5.000 . 5.000 2.814 2.706 2.833 . 0 0 "[ . 1 . 2]" 1
437 1 47 LYS QB 1 48 GLU H 5.000 . 5.000 2.526 2.501 2.561 . 0 0 "[ . 1 . 2]" 1
438 1 45 SER QB 1 47 LYS QB 5.000 3.000 5.000 3.138 2.741 3.559 0.259 16 0 "[ . 1 . 2]" 1
439 1 47 LYS QB 1 47 LYS QE 3.500 . 3.500 2.185 2.023 2.416 . 0 0 "[ . 1 . 2]" 1
440 1 46 LEU HA 1 48 GLU H 5.000 3.500 5.000 4.195 4.106 4.344 . 0 0 "[ . 1 . 2]" 1
441 1 48 GLU H 1 50 SER H 5.000 . 5.000 3.960 3.875 4.034 . 0 0 "[ . 1 . 2]" 1
442 1 48 GLU H 1 49 ALA H 5.000 2.500 5.000 2.627 2.527 2.709 . 0 0 "[ . 1 . 2]" 1
443 1 48 GLU QB 1 49 ALA H 5.000 . 5.000 2.477 2.303 2.637 . 0 0 "[ . 1 . 2]" 1
444 1 49 ALA H 1 49 ALA MB 4.500 . 4.500 2.219 2.170 2.261 . 0 0 "[ . 1 . 2]" 1
445 1 49 ALA MB 1 50 SER H . . 3.500 2.685 2.600 2.776 . 0 0 "[ . 1 . 2]" 1
446 1 49 ALA H 1 50 SER H . . 3.000 2.672 2.566 2.760 . 0 0 "[ . 1 . 2]" 1
447 1 50 SER HA 1 53 ALA H . . 4.000 3.840 3.456 4.062 0.062 7 0 "[ . 1 . 2]" 1
448 1 50 SER H 1 50 SER QB . . 4.000 2.353 2.207 2.529 . 0 0 "[ . 1 . 2]" 1
449 1 50 SER H 1 51 THR H . . 3.000 2.750 2.599 2.826 . 0 0 "[ . 1 . 2]" 1
450 1 50 SER QB 1 51 THR H 4.000 . 4.000 2.850 2.400 3.449 . 0 0 "[ . 1 . 2]" 1
451 1 50 SER HA 1 51 THR H 4.000 . 4.000 3.563 3.517 3.585 . 0 0 "[ . 1 . 2]" 1
452 1 51 THR H 1 53 ALA H 5.000 . 5.000 4.097 3.900 4.450 . 0 0 "[ . 1 . 2]" 1
453 1 51 THR H 1 54 GLU QG 5.800 3.800 5.800 4.863 4.616 5.252 . 0 0 "[ . 1 . 2]" 1
454 1 51 THR H 1 51 THR MG 4.500 . 4.500 2.756 1.886 3.790 0.114 10 0 "[ . 1 . 2]" 1
455 1 51 THR H 1 52 ILE H 5.000 . 5.000 2.678 2.581 2.842 . 0 0 "[ . 1 . 2]" 1
456 1 51 THR HA 1 52 ILE H 5.000 . 5.000 3.581 3.526 3.592 . 0 0 "[ . 1 . 2]" 1
457 1 51 THR MG 1 52 ILE H 5.000 . 5.000 3.698 3.359 3.922 . 0 0 "[ . 1 . 2]" 1
458 1 51 THR H 1 52 ILE QG 5.000 . 5.000 4.053 3.891 4.332 . 0 0 "[ . 1 . 2]" 1
459 1 52 ILE MD 1 52 ILE MG 5.000 . 5.000 1.938 1.824 1.971 0.176 15 0 "[ . 1 . 2]" 1
460 1 52 ILE MD 1 52 ILE QG 4.000 . 4.000 1.910 1.898 1.916 0.102 19 0 "[ . 1 . 2]" 1
461 1 15 TYR HE2 1 52 ILE MD 5.300 3.300 5.300 3.986 3.517 4.304 . 0 0 "[ . 1 . 2]" 1
462 1 15 TYR HD2 1 52 ILE MD 5.000 3.000 5.000 3.922 3.722 4.242 . 0 0 "[ . 1 . 2]" 1
463 1 52 ILE HA 1 52 ILE MD 4.500 2.500 4.500 3.560 2.247 3.830 0.253 19 0 "[ . 1 . 2]" 1
464 1 52 ILE HB 1 52 ILE MD 4.500 . 4.500 2.488 2.277 3.191 . 0 0 "[ . 1 . 2]" 1
465 1 52 ILE MG 1 56 ILE MG 5.500 3.000 5.500 2.444 2.080 2.812 0.920 9 12 "[* **. **+*- **. * *]" 1
466 1 52 ILE HB 1 53 ALA H . . 3.000 2.485 2.309 2.580 . 0 0 "[ . 1 . 2]" 1
467 1 52 ILE H 1 53 ALA H 5.000 . 5.000 2.703 2.631 2.793 . 0 0 "[ . 1 . 2]" 1
468 1 52 ILE MG 1 53 ALA H 5.000 . 5.000 3.509 3.023 3.692 . 0 0 "[ . 1 . 2]" 1
469 1 52 ILE H 1 52 ILE MD 5.000 . 5.000 3.605 3.478 3.821 . 0 0 "[ . 1 . 2]" 1
470 1 52 ILE QG 1 53 ALA H 5.000 3.000 5.000 3.803 3.673 3.996 . 0 0 "[ . 1 . 2]" 1
471 1 52 ILE MD 1 53 ALA H 5.500 2.300 5.500 4.487 4.285 4.682 . 0 0 "[ . 1 . 2]" 1
472 1 53 ALA H 1 53 ALA MB 3.000 . 3.000 2.257 2.223 2.271 . 0 0 "[ . 1 . 2]" 1
473 1 52 ILE HA 1 53 ALA H 3.500 . 3.500 3.551 3.541 3.565 0.065 16 0 "[ . 1 . 2]" 1
474 1 53 ALA H 1 54 GLU H 3.500 . 3.500 2.778 2.738 2.837 . 0 0 "[ . 1 . 2]" 1
475 1 53 ALA H 1 54 GLU QG 5.500 4.000 5.500 4.684 4.418 4.806 . 0 0 "[ . 1 . 2]" 1
476 1 53 ALA H 1 54 GLU QB 5.500 3.500 5.500 4.661 4.618 4.718 . 0 0 "[ . 1 . 2]" 1
477 1 54 GLU H 1 55 TYR H . . 3.500 2.683 2.650 2.742 . 0 0 "[ . 1 . 2]" 1
478 1 54 GLU QB 1 55 TYR H 4.000 2.500 4.000 2.853 2.743 3.503 . 0 0 "[ . 1 . 2]" 1
479 1 52 ILE HA 1 55 TYR H 5.000 2.500 5.000 3.453 3.331 3.723 . 0 0 "[ . 1 . 2]" 1
480 1 53 ALA H 1 55 TYR H 4.500 2.500 4.500 4.112 4.017 4.254 . 0 0 "[ . 1 . 2]" 1
481 1 53 ALA MB 1 55 TYR H 5.500 3.500 5.500 4.311 4.231 4.434 . 0 0 "[ . 1 . 2]" 1
482 1 54 GLU QG 1 55 TYR H 5.000 3.000 5.000 4.194 2.235 4.364 0.765 13 1 "[ . 1 + . 2]" 1
483 1 55 TYR H 1 57 SER H 5.000 3.500 5.000 3.471 3.455 3.495 0.045 20 0 "[ . 1 . 2]" 1
484 1 53 ALA HA 1 56 ILE HB 5.200 3.200 5.200 4.947 4.711 5.212 0.012 18 0 "[ . 1 . 2]" 1
485 1 56 ILE MD 1 126 LEU QD 4.200 3.500 4.200 2.110 1.849 2.451 1.651 5 20 [***-+***************] 1
486 1 52 ILE MG 1 56 ILE MD 5.500 2.500 5.500 2.178 1.883 3.281 0.617 11 3 "[ . 1+ . -*2]" 1
487 1 56 ILE HA 1 56 ILE MD 5.000 2.500 5.000 4.111 3.750 4.148 . 0 0 "[ . 1 . 2]" 1
488 1 56 ILE MD 1 65 ILE MD 5.000 3.000 5.000 2.560 2.146 3.129 0.854 16 7 "[- ** 1 ** .+ *]" 1
489 1 56 ILE MD 1 65 ILE HB 5.400 3.400 5.400 3.634 3.262 4.298 0.138 19 0 "[ . 1 . 2]" 1
490 1 56 ILE MD 1 56 ILE MG 4.000 . 4.000 1.955 1.910 2.003 0.090 14 0 "[ . 1 . 2]" 1
491 1 56 ILE MG 1 65 ILE MD . 3.000 5.000 3.302 2.697 3.529 0.303 9 0 "[ . 1 . 2]" 1
492 1 56 ILE HB 1 56 ILE MG 4.000 . 4.000 2.144 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
493 1 56 ILE HA 1 56 ILE MG 4.000 . 4.000 2.397 2.310 3.192 . 0 0 "[ . 1 . 2]" 1
494 1 15 TYR QE 1 56 ILE MG 5.500 4.000 5.500 3.075 2.722 3.784 1.278 11 19 "[***-**** *+*********]" 1
495 1 53 ALA MB 1 57 SER H 5.000 2.500 5.000 4.152 4.126 4.183 . 0 0 "[ . 1 . 2]" 1
496 1 53 ALA HA 1 57 SER H 5.000 3.000 5.000 3.325 3.227 3.460 . 0 0 "[ . 1 . 2]" 1
497 1 54 GLU HA 1 57 SER H 5.000 2.500 5.000 3.985 3.858 4.143 . 0 0 "[ . 1 . 2]" 1
498 1 56 ILE HB 1 57 SER H 4.500 3.300 4.500 4.388 4.355 4.470 . 0 0 "[ . 1 . 2]" 1
499 1 57 SER HA 1 58 GLY QA 5.000 3.500 5.000 4.362 4.271 4.431 . 0 0 "[ . 1 . 2]" 1
500 1 58 GLY QA 1 59 TYR HA 5.000 3.500 5.000 4.234 4.151 4.254 . 0 0 "[ . 1 . 2]" 1
501 1 58 GLY QA 1 59 TYR QD 5.000 3.500 5.000 4.072 3.775 4.309 . 0 0 "[ . 1 . 2]" 1
502 1 59 TYR H 1 59 TYR QE 5.200 3.700 5.200 4.231 3.990 4.580 . 0 0 "[ . 1 . 2]" 1
503 1 59 TYR H 1 59 TYR QD 4.000 2.800 4.000 2.038 1.802 2.347 0.998 18 18 "[* ***-***** *****+**]" 1
504 1 59 TYR H 1 60 GLN QB 5.600 4.100 5.600 4.708 4.483 4.840 . 0 0 "[ . 1 . 2]" 1
505 1 59 TYR H 1 60 GLN HA 5.500 3.500 5.500 5.365 5.309 5.455 . 0 0 "[ . 1 . 2]" 1
506 1 58 GLY QA 1 59 TYR H 4.000 . 4.000 2.925 2.908 2.948 . 0 0 "[ . 1 . 2]" 1
507 1 57 SER HA 1 59 TYR H 4.500 3.000 4.500 4.262 3.846 4.564 0.064 15 0 "[ . 1 . 2]" 1
508 1 57 SER QB 1 59 TYR H 5.400 3.400 5.400 3.034 2.476 3.501 0.924 1 8 "[+ * .** 1 - ** * 2]" 1
509 1 59 TYR H 1 60 GLN H 3.200 . 3.200 2.811 2.755 2.925 . 0 0 "[ . 1 . 2]" 1
510 1 58 GLY H 1 59 TYR H 4.000 2.800 4.000 2.703 2.676 2.776 0.124 4 0 "[ . 1 . 2]" 1
511 1 60 GLN QG 1 61 ARG HA 5.500 3.500 5.500 4.499 4.143 5.015 . 0 0 "[ . 1 . 2]" 1
512 1 60 GLN QG 1 61 ARG QB 5.500 3.500 5.500 3.324 2.502 4.003 0.998 8 6 "[ * + 1 **. *-2]" 1
513 1 59 TYR QB 1 60 GLN H 4.500 3.000 4.500 3.548 2.916 3.859 0.084 6 0 "[ . 1 . 2]" 1
514 1 60 GLN H 1 61 ARG H 3.000 . 3.000 2.464 2.232 2.609 . 0 0 "[ . 1 . 2]" 1
515 1 60 GLN H 1 61 ARG QB 5.500 3.500 5.500 4.818 4.495 5.036 . 0 0 "[ . 1 . 2]" 1
516 1 60 GLN HA 1 61 ARG H 4.000 . 4.000 3.359 3.157 3.500 . 0 0 "[ . 1 . 2]" 1
517 1 60 GLN QB 1 61 ARG H 5.000 2.500 5.000 3.455 2.918 3.950 . 0 0 "[ . 1 . 2]" 1
518 1 61 ARG H 1 62 SER QB 5.500 3.000 5.500 4.062 3.528 4.598 . 0 0 "[ . 1 . 2]" 1
519 1 60 GLN HA 1 62 SER H 5.100 3.100 5.100 5.150 5.111 5.231 0.131 11 0 "[ . 1 . 2]" 1
520 1 61 ARG H 1 62 SER H 3.000 . 3.000 2.206 1.668 2.946 . 0 0 "[ . 1 . 2]" 1
521 1 61 ARG HA 1 62 SER H 4.000 . 4.000 3.101 2.478 3.552 . 0 0 "[ . 1 . 2]" 1
522 1 61 ARG QB 1 62 SER H 4.500 2.500 4.500 3.482 2.755 4.044 . 0 0 "[ . 1 . 2]" 1
523 1 61 ARG QD 1 62 SER H 5.500 2.500 5.500 4.482 3.547 4.943 . 0 0 "[ . 1 . 2]" 1
524 1 63 GLN H 1 63 GLN HA 3.000 . 3.000 2.980 2.951 2.999 . 0 0 "[ . 1 . 2]" 1
525 1 63 GLN HA 1 65 ILE H 5.900 3.700 5.900 5.927 5.502 6.075 0.175 16 0 "[ . 1 . 2]" 1
526 1 56 ILE HA 1 65 ILE MD 5.400 3.400 5.400 3.813 3.563 4.425 . 0 0 "[ . 1 . 2]" 1
527 1 65 ILE MG 1 126 LEU H 4.500 2.500 4.500 2.558 2.227 2.697 0.273 11 0 "[ . 1 . 2]" 1
528 1 65 ILE MG 1 125 PHE H 5.500 3.000 5.500 3.486 2.880 3.852 0.120 11 0 "[ . 1 . 2]" 1
529 1 65 ILE HA 1 125 PHE H 5.000 3.000 5.000 4.563 4.283 4.836 . 0 0 "[ . 1 . 2]" 1
530 1 65 ILE QG 1 125 PHE H 5.800 3.800 5.800 4.804 4.317 4.930 . 0 0 "[ . 1 . 2]" 1
531 1 65 ILE HB 1 126 LEU H 5.200 3.200 5.200 5.166 4.559 5.264 0.064 20 0 "[ . 1 . 2]" 1
532 1 65 ILE HA 1 126 LEU H 5.000 . 5.000 4.922 4.535 5.054 0.054 16 0 "[ . 1 . 2]" 1
533 1 65 ILE HA 1 66 TRP H . . 3.500 2.247 2.191 2.321 . 0 0 "[ . 1 . 2]" 1
534 1 65 ILE MG 1 66 TRP H 5.000 3.000 5.000 2.378 2.252 2.555 0.748 9 19 [********+-****.*****] 1
535 1 65 ILE HB 1 66 TRP H 5.000 2.800 5.000 3.965 3.776 4.130 . 0 0 "[ . 1 . 2]" 1
536 1 65 ILE QG 1 66 TRP H 5.000 . 5.000 4.191 4.006 4.291 . 0 0 "[ . 1 . 2]" 1
537 1 66 TRP H 1 66 TRP HA 3.000 . 3.000 2.915 2.898 2.963 . 0 0 "[ . 1 . 2]" 1
538 1 40 LEU QD 1 66 TRP HD1 5.000 2.500 5.000 3.792 3.592 3.935 . 0 0 "[ . 1 . 2]" 1
539 1 65 ILE QG 1 66 TRP H 3.500 2.500 3.500 2.364 2.244 2.532 0.256 9 0 "[ . 1 . 2]" 1
540 1 66 TRP HD1 1 104 GLU QB 5.500 3.500 5.500 3.349 2.871 4.459 0.629 5 4 "[- + ** . 2]" 1
541 1 66 TRP H 1 123 GLN QE 5.500 3.000 5.500 4.004 3.039 4.807 . 0 0 "[ . 1 . 2]" 1
542 1 66 TRP H 1 67 ILE HA 5.500 3.500 5.500 5.442 5.249 5.500 0.000 20 0 "[ . 1 . 2]" 1
543 1 66 TRP H 1 125 PHE HA . . 3.500 1.968 1.944 2.015 0.056 12 0 "[ . 1 . 2]" 1
544 1 66 TRP H 1 124 HIS QB 5.500 3.500 5.500 4.041 3.758 4.311 . 0 0 "[ . 1 . 2]" 1
545 1 66 TRP H 1 125 PHE QB 5.000 3.000 5.000 3.431 3.257 3.623 . 0 0 "[ . 1 . 2]" 1
546 1 66 TRP H 1 125 PHE H 5.000 3.000 5.000 4.356 4.177 4.555 . 0 0 "[ . 1 . 2]" 1
547 1 66 TRP H 1 126 LEU H 5.000 3.000 5.000 3.489 3.160 3.627 . 0 0 "[ . 1 . 2]" 1
548 1 66 TRP H 1 66 TRP QB 4.000 . 4.000 2.124 2.093 2.219 . 0 0 "[ . 1 . 2]" 1
549 1 66 TRP HA 1 67 ILE H 3.000 . 3.000 2.337 2.299 2.374 . 0 0 "[ . 1 . 2]" 1
550 1 66 TRP QB 1 67 ILE H 3.500 2.300 3.500 2.972 2.902 3.014 . 0 0 "[ . 1 . 2]" 1
551 1 67 ILE QG 1 105 MET QG 5.500 4.000 5.500 3.715 3.379 4.124 0.621 20 2 "[ . -1 . +]" 1
552 1 67 ILE QG 1 104 GLU HA 4.000 2.500 4.000 2.857 2.310 3.252 0.190 7 0 "[ . 1 . 2]" 1
553 1 67 ILE HB 1 67 ILE QG 3.500 . 3.500 2.380 2.325 2.436 . 0 0 "[ . 1 . 2]" 1
554 1 67 ILE MD 1 67 ILE QG 4.000 . 4.000 1.911 1.902 1.916 0.098 13 0 "[ . 1 . 2]" 1
555 1 67 ILE H 1 104 GLU HA 4.500 2.500 4.500 3.506 3.198 3.852 . 0 0 "[ . 1 . 2]" 1
556 1 67 ILE QG 1 69 LEU H 5.000 . 5.000 2.590 2.469 2.759 . 0 0 "[ . 1 . 2]" 1
557 1 67 ILE MD 1 69 LEU H 5.000 . 5.000 4.057 3.838 4.165 . 0 0 "[ . 1 . 2]" 1
558 1 67 ILE HB 1 69 LEU H 5.000 . 5.000 4.287 4.059 4.570 . 0 0 "[ . 1 . 2]" 1
559 1 67 ILE H 1 69 LEU H 5.000 . 5.000 3.885 3.802 4.086 . 0 0 "[ . 1 . 2]" 1
560 1 67 ILE HA 1 69 LEU H 5.000 . 5.000 4.700 4.645 4.851 . 0 0 "[ . 1 . 2]" 1
561 1 67 ILE MG 1 68 GLY H 5.000 . 5.000 3.769 3.650 3.899 . 0 0 "[ . 1 . 2]" 1
562 1 67 ILE H 1 67 ILE MD 5.000 . 5.000 3.851 3.772 3.919 . 0 0 "[ . 1 . 2]" 1
563 1 67 ILE QG 1 68 GLY H 5.000 . 5.000 3.379 3.035 3.674 . 0 0 "[ . 1 . 2]" 1
564 1 67 ILE MD 1 68 GLY H 5.000 . 5.000 4.093 4.012 4.167 . 0 0 "[ . 1 . 2]" 1
565 1 40 LEU HB2 1 68 GLY H 5.500 3.000 5.500 3.479 3.247 3.752 . 0 0 "[ . 1 . 2]" 1
566 1 41 ALA MB 1 68 GLY H 4.000 . 4.000 2.986 2.730 3.080 . 0 0 "[ . 1 . 2]" 1
567 1 67 ILE H 1 68 GLY H 4.500 2.500 4.500 4.443 4.426 4.467 . 0 0 "[ . 1 . 2]" 1
568 1 67 ILE HA 1 68 GLY H 3.000 . 3.000 2.581 2.535 2.616 . 0 0 "[ . 1 . 2]" 1
569 1 67 ILE HB 1 68 GLY H 3.500 2.500 3.500 2.405 2.377 2.438 0.123 4 0 "[ . 1 . 2]" 1
570 1 68 GLY QA 1 81 ILE H 5.000 . 5.000 3.581 3.405 3.791 . 0 0 "[ . 1 . 2]" 1
571 1 68 GLY H 1 69 LEU H 4.000 2.500 4.000 3.649 3.613 3.705 . 0 0 "[ . 1 . 2]" 1
572 1 69 LEU HG 1 78 TRP QB . 2.500 4.000 3.500 3.346 3.618 . 0 0 "[ . 1 . 2]" 1
573 1 69 LEU HA 1 69 LEU HG 5.500 2.500 5.500 3.198 2.983 3.703 . 0 0 "[ . 1 . 2]" 1
574 1 69 LEU HA 1 69 LEU QD 5.000 2.500 5.000 2.071 2.028 2.108 0.472 15 0 "[ . 1 . 2]" 1
575 1 69 LEU QB 1 69 LEU QD 5.000 2.500 5.000 1.950 1.917 2.019 0.583 1 16 "[+** *** ***** .-****]" 1
576 1 69 LEU QD 1 103 ALA MB 5.000 2.500 5.000 2.105 1.991 2.217 0.509 2 1 "[ + . 1 . 2]" 1
577 1 69 LEU QD 1 79 GLN H 5.000 . 5.000 2.856 2.625 3.003 . 0 0 "[ . 1 . 2]" 1
578 1 69 LEU HA 1 79 GLN H 5.000 . 5.000 4.718 4.431 4.881 . 0 0 "[ . 1 . 2]" 1
579 1 69 LEU HG 1 79 GLN H 5.500 2.500 5.500 4.805 4.479 5.525 0.025 14 0 "[ . 1 . 2]" 1
580 1 69 LEU HA 1 80 TRP H 5.000 . 5.000 4.846 4.776 4.962 . 0 0 "[ . 1 . 2]" 1
581 1 69 LEU HA 1 81 ILE H 5.000 . 5.000 4.607 4.329 5.014 0.014 4 0 "[ . 1 . 2]" 1
582 1 69 LEU QB 1 103 ALA H 5.000 . 5.000 3.399 2.823 3.784 . 0 0 "[ . 1 . 2]" 1
583 1 69 LEU H 1 103 ALA H 5.000 . 5.000 4.362 4.023 4.603 . 0 0 "[ . 1 . 2]" 1
584 1 69 LEU HG 1 103 ALA H 5.000 . 5.000 4.134 3.561 5.004 0.004 14 0 "[ . 1 . 2]" 1
585 1 69 LEU HA 1 70 HIS H . . 3.000 2.209 2.200 2.216 . 0 0 "[ . 1 . 2]" 1
586 1 69 LEU QD 1 70 HIS H . 2.300 4.300 2.350 2.090 2.536 0.210 10 0 "[ . 1 . 2]" 1
587 1 69 LEU QB 1 70 HIS H . 2.700 4.500 3.852 3.788 3.895 . 0 0 "[ . 1 . 2]" 1
588 1 69 LEU H 1 69 LEU MD1 5.500 3.000 5.500 4.261 4.056 4.319 . 0 0 "[ . 1 . 2]" 1
589 1 69 LEU HG 1 70 HIS H 5.000 2.500 5.000 3.518 3.072 4.773 . 0 0 "[ . 1 . 2]" 1
590 1 69 LEU H 1 70 HIS H 4.500 2.500 4.500 4.301 4.226 4.374 . 0 0 "[ . 1 . 2]" 1
591 1 68 GLY QA 1 69 LEU H 3.500 . 3.500 2.532 2.483 2.551 . 0 0 "[ . 1 . 2]" 1
592 1 70 HIS H 1 79 GLN H 5.000 . 5.000 3.370 3.207 3.500 . 0 0 "[ . 1 . 2]" 1
593 1 70 HIS HA 1 103 ALA H . 3.300 4.000 3.450 3.294 3.691 0.006 16 0 "[ . 1 . 2]" 1
594 1 70 HIS H 1 71 ASP H 4.500 2.500 4.500 4.428 4.399 4.442 . 0 0 "[ . 1 . 2]" 1
595 1 70 HIS H 1 70 HIS QB 5.500 3.000 5.500 3.133 2.701 3.267 0.299 18 0 "[ . 1 . 2]" 1
596 1 70 HIS H 1 78 TRP HA 5.000 . 5.000 4.559 4.391 4.756 . 0 0 "[ . 1 . 2]" 1
597 1 70 HIS H 1 78 TRP QB 5.500 2.500 5.500 4.894 4.821 4.952 . 0 0 "[ . 1 . 2]" 1
598 1 70 HIS H 1 79 GLN HA 5.000 . 5.000 5.047 5.014 5.088 0.088 20 0 "[ . 1 . 2]" 1
599 1 70 HIS H 1 80 TRP HA 5.000 . 5.000 3.275 3.068 3.450 . 0 0 "[ . 1 . 2]" 1
600 1 70 HIS QB 1 103 ALA H 5.600 3.600 5.600 4.316 3.863 4.862 . 0 0 "[ . 1 . 2]" 1
601 1 71 ASP H 1 71 ASP QB 4.500 . 4.500 2.429 2.217 2.943 . 0 0 "[ . 1 . 2]" 1
602 1 71 ASP H 1 72 PRO HA 5.500 3.000 5.500 5.483 5.408 5.532 0.032 4 0 "[ . 1 . 2]" 1
603 1 70 HIS HA 1 71 ASP H 4.000 . 4.000 2.441 2.308 2.485 . 0 0 "[ . 1 . 2]" 1
604 1 71 ASP H 1 101 HIS HA 5.000 3.500 5.000 3.650 3.476 4.205 0.024 14 0 "[ . 1 . 2]" 1
605 1 71 ASP H 1 102 CYS H 5.000 3.500 5.000 4.959 4.691 5.052 0.052 20 0 "[ . 1 . 2]" 1
606 1 71 ASP H 1 103 ALA H 5.500 4.000 5.500 5.498 5.380 5.539 0.039 3 0 "[ . 1 . 2]" 1
607 1 71 ASP QB 1 73 GLN H 5.400 3.400 5.400 4.437 4.136 4.563 . 0 0 "[ . 1 . 2]" 1
608 1 72 PRO QB 1 74 LYS H 5.200 3.200 5.200 4.339 4.311 4.456 . 0 0 "[ . 1 . 2]" 1
609 1 72 PRO QD 1 74 LYS H 5.000 3.000 5.000 3.658 3.584 3.752 . 0 0 "[ . 1 . 2]" 1
610 1 72 PRO QG 1 77 GLN H 5.000 3.000 5.000 3.431 3.318 3.509 . 0 0 "[ . 1 . 2]" 1
611 1 72 PRO QG 1 76 GLN H 4.500 . 4.500 3.977 3.935 4.000 . 0 0 "[ . 1 . 2]" 1
612 1 72 PRO QB 1 73 GLN H 4.500 . 4.500 1.888 1.806 2.149 0.194 20 0 "[ . 1 . 2]" 1
613 1 72 PRO QG 1 73 GLN H 5.000 . 5.000 1.810 1.784 1.874 0.016 10 0 "[ . 1 . 2]" 1
614 1 72 PRO QD 1 73 GLN H 5.000 . 5.000 3.499 3.328 3.580 . 0 0 "[ . 1 . 2]" 1
615 1 72 PRO HA 1 73 GLN H 5.000 . 5.000 3.472 3.445 3.544 . 0 0 "[ . 1 . 2]" 1
616 1 73 GLN H 1 75 ARG H . . 3.000 2.903 2.724 3.003 0.003 20 0 "[ . 1 . 2]" 1
617 1 73 GLN HA 1 75 ARG H 5.000 3.000 5.000 4.686 4.651 4.742 . 0 0 "[ . 1 . 2]" 1
618 1 73 GLN H 1 73 GLN QG 4.500 . 4.500 2.011 1.877 2.230 0.123 20 0 "[ . 1 . 2]" 1
619 1 73 GLN H 1 74 LYS H 3.000 . 3.000 2.786 2.536 2.917 . 0 0 "[ . 1 . 2]" 1
620 1 73 GLN QB 1 74 LYS H 5.000 . 5.000 4.039 4.032 4.047 . 0 0 "[ . 1 . 2]" 1
621 1 73 GLN QG 1 74 LYS H 5.000 . 5.000 3.837 3.816 3.885 . 0 0 "[ . 1 . 2]" 1
622 1 73 GLN H 1 74 LYS HA 5.000 3.000 5.000 4.720 4.512 4.852 . 0 0 "[ . 1 . 2]" 1
623 1 73 GLN H 1 74 LYS QG 5.500 2.300 5.500 4.753 4.596 4.828 . 0 0 "[ . 1 . 2]" 1
624 1 74 LYS HA 1 74 LYS QG 3.500 . 3.500 2.539 2.527 2.568 . 0 0 "[ . 1 . 2]" 1
625 1 73 GLN HA 1 74 LYS H 3.500 . 3.500 2.764 2.745 2.775 . 0 0 "[ . 1 . 2]" 1
626 1 73 GLN HA 1 74 LYS QG 5.500 . 5.500 3.120 3.099 3.142 . 0 0 "[ . 1 . 2]" 1
627 1 74 LYS HA 1 76 GLN H 5.000 2.500 5.000 2.997 2.971 3.036 . 0 0 "[ . 1 . 2]" 1
628 1 74 LYS H 1 76 GLN H 5.000 . 5.000 4.184 4.029 4.255 . 0 0 "[ . 1 . 2]" 1
629 1 74 LYS H 1 75 ARG H 4.500 . 4.500 2.567 2.504 2.609 . 0 0 "[ . 1 . 2]" 1
630 1 74 LYS H 1 74 LYS QG 5.000 . 5.000 2.751 2.688 2.781 . 0 0 "[ . 1 . 2]" 1
631 1 74 LYS HA 1 75 ARG H . . 3.500 2.811 2.779 2.838 . 0 0 "[ . 1 . 2]" 1
632 1 74 LYS H 1 75 ARG QB 5.500 3.500 5.500 4.315 4.183 4.702 . 0 0 "[ . 1 . 2]" 1
633 1 74 LYS QG 1 75 ARG H 5.000 . 5.000 4.392 4.381 4.415 . 0 0 "[ . 1 . 2]" 1
634 1 74 LYS H 1 75 ARG HA 5.200 3.200 5.200 5.208 5.177 5.233 0.033 17 0 "[ . 1 . 2]" 1
635 1 73 GLN QB 1 75 ARG H 5.500 3.500 5.500 4.895 4.830 4.987 . 0 0 "[ . 1 . 2]" 1
636 1 75 ARG HA 1 75 ARG QB 4.000 . 4.000 2.454 2.321 2.543 . 0 0 "[ . 1 . 2]" 1
637 1 75 ARG QB 1 75 ARG QD 4.000 . 4.000 2.287 2.113 2.923 . 0 0 "[ . 1 . 2]" 1
638 1 73 GLN QG 1 75 ARG QB 4.800 2.800 4.800 2.693 2.435 3.778 0.365 13 0 "[ . 1 . 2]" 1
639 1 75 ARG QB 1 77 GLN H 5.500 2.500 5.500 3.611 3.429 3.721 . 0 0 "[ . 1 . 2]" 1
640 1 75 ARG H 1 75 ARG QB 4.500 . 4.500 2.399 2.313 2.575 . 0 0 "[ . 1 . 2]" 1
641 1 75 ARG H 1 76 GLN HA 4.500 2.500 4.500 4.534 4.509 4.549 0.049 9 0 "[ . 1 . 2]" 1
642 1 75 ARG H 1 76 GLN H 3.000 . 3.000 2.356 2.263 2.403 . 0 0 "[ . 1 . 2]" 1
643 1 75 ARG HA 1 76 GLN H . . 3.500 3.178 3.140 3.252 . 0 0 "[ . 1 . 2]" 1
644 1 75 ARG QB 1 76 GLN H . 2.500 4.000 3.506 3.405 3.548 . 0 0 "[ . 1 . 2]" 1
645 1 75 ARG H 1 76 GLN QE 5.200 3.200 5.200 4.006 3.350 4.675 . 0 0 "[ . 1 . 2]" 1
646 1 76 GLN HA 1 76 GLN QB 4.500 2.500 4.500 2.329 2.262 2.400 0.238 3 0 "[ . 1 . 2]" 1
647 1 76 GLN H 1 76 GLN QG 4.500 . 4.500 3.013 2.837 3.322 . 0 0 "[ . 1 . 2]" 1
648 1 76 GLN H 1 77 GLN H . 2.500 3.500 2.796 2.669 2.890 . 0 0 "[ . 1 . 2]" 1
649 1 76 GLN HA 1 77 GLN H 4.500 . 4.500 2.712 2.660 2.764 . 0 0 "[ . 1 . 2]" 1
650 1 76 GLN H 1 76 GLN QE 5.000 . 5.000 2.636 1.566 3.617 0.234 20 0 "[ . 1 . 2]" 1
651 1 77 GLN QE 1 79 GLN H 5.500 3.500 5.500 4.150 3.888 4.370 . 0 0 "[ . 1 . 2]" 1
652 1 74 LYS HA 1 77 GLN H 5.500 2.500 5.500 5.024 4.914 5.148 . 0 0 "[ . 1 . 2]" 1
653 1 76 GLN QB 1 77 GLN H 4.500 . 4.500 3.908 3.890 3.918 . 0 0 "[ . 1 . 2]" 1
654 1 77 GLN H 1 77 GLN QB 4.500 . 4.500 2.643 2.631 2.666 . 0 0 "[ . 1 . 2]" 1
655 1 77 GLN H 1 77 GLN QG 5.000 . 5.000 4.161 4.152 4.179 . 0 0 "[ . 1 . 2]" 1
656 1 77 GLN H 1 78 TRP H 4.200 2.700 4.200 4.271 4.248 4.286 0.086 14 0 "[ . 1 . 2]" 1
657 1 77 GLN QG 1 78 TRP H 3.500 . 3.500 2.407 2.337 2.475 . 0 0 "[ . 1 . 2]" 1
658 1 77 GLN QB 1 78 TRP H 4.000 2.500 4.000 3.665 3.632 3.698 . 0 0 "[ . 1 . 2]" 1
659 1 77 GLN QE 1 78 TRP H 5.200 3.200 5.200 4.434 4.414 4.454 . 0 0 "[ . 1 . 2]" 1
660 1 77 GLN H 1 78 TRP HA 4.700 3.200 4.700 4.674 4.657 4.696 . 0 0 "[ . 1 . 2]" 1
661 1 69 LEU QD 1 78 TRP QB 4.300 2.800 4.300 2.146 1.992 2.193 0.808 4 20 [***+*************-**] 1
662 1 78 TRP H 1 79 GLN QG 5.000 3.000 5.000 4.256 4.107 4.328 . 0 0 "[ . 1 . 2]" 1
663 1 77 GLN HA 1 78 TRP H . . 3.500 2.177 2.154 2.195 . 0 0 "[ . 1 . 2]" 1
664 1 78 TRP HA 1 79 GLN H . . 3.000 2.187 2.166 2.214 . 0 0 "[ . 1 . 2]" 1
665 1 78 TRP H 1 79 GLN H 4.500 3.000 4.500 4.346 4.178 4.431 . 0 0 "[ . 1 . 2]" 1
666 1 70 HIS HA 1 79 GLN H 5.500 2.300 5.500 5.085 4.896 5.313 . 0 0 "[ . 1 . 2]" 1
667 1 79 GLN QB 1 84 ALA H 5.000 2.500 5.000 4.333 4.233 4.414 . 0 0 "[ . 1 . 2]" 1
668 1 79 GLN HA 1 84 ALA H 5.600 3.600 5.600 5.347 5.166 5.610 0.010 3 0 "[ . 1 . 2]" 1
669 1 79 GLN QB 1 83 GLY H 5.000 3.000 5.000 4.120 4.022 4.197 . 0 0 "[ . 1 . 2]" 1
670 1 79 GLN HA 1 80 TRP H . . 3.000 2.361 2.292 2.410 . 0 0 "[ . 1 . 2]" 1
671 1 79 GLN QB 1 80 TRP H . . 4.000 2.628 2.442 2.791 . 0 0 "[ . 1 . 2]" 1
672 1 79 GLN H 1 80 TRP H 5.000 . 5.000 4.443 4.419 4.481 . 0 0 "[ . 1 . 2]" 1
673 1 80 TRP H 1 86 TYR H 5.500 3.500 5.500 5.306 4.930 5.537 0.037 5 0 "[ . 1 . 2]" 1
674 1 80 TRP QB 1 84 ALA H 4.500 3.000 4.500 2.672 2.475 2.913 0.525 7 3 "[- . + 1 . * 2]" 1
675 1 80 TRP QB 1 83 GLY H 5.000 3.500 5.000 3.427 3.326 3.547 0.174 7 0 "[ . 1 . 2]" 1
676 1 80 TRP H 1 84 ALA MB 4.900 2.900 4.900 3.072 2.872 3.263 0.028 11 0 "[ . 1 . 2]" 1
677 1 80 TRP H 1 84 ALA H 5.000 2.700 5.000 3.307 3.199 3.540 . 0 0 "[ . 1 . 2]" 1
678 1 80 TRP HA 1 83 GLY H 5.500 4.000 5.500 4.635 4.569 4.720 . 0 0 "[ . 1 . 2]" 1
679 1 80 TRP H 1 83 GLY H 5.000 2.500 5.000 3.893 3.825 4.046 . 0 0 "[ . 1 . 2]" 1
680 1 80 TRP H 1 84 ALA HA 5.600 2.600 5.600 4.815 4.668 4.965 . 0 0 "[ . 1 . 2]" 1
681 1 80 TRP HA 1 84 ALA H 5.200 3.300 5.200 5.055 4.935 5.209 0.009 10 0 "[ . 1 . 2]" 1
682 1 80 TRP HA 1 81 ILE H 3.000 . 3.000 2.574 2.561 2.584 . 0 0 "[ . 1 . 2]" 1
683 1 80 TRP QB 1 81 ILE H 5.000 . 5.000 2.166 2.091 2.265 . 0 0 "[ . 1 . 2]" 1
684 1 80 TRP H 1 81 ILE H 5.000 . 5.000 4.536 4.520 4.552 . 0 0 "[ . 1 . 2]" 1
685 1 39 HIS QB 1 81 ILE MD 5.500 2.500 5.500 2.479 1.947 4.097 0.553 11 4 "[ - * *1+ . 2]" 1
686 1 81 ILE HA 1 81 ILE MD 5.200 3.200 5.200 3.759 2.296 4.143 0.904 16 3 "[ . - * .+ 2]" 1
687 1 81 ILE HB 1 81 ILE MD 3.500 . 3.500 2.395 2.181 2.526 . 0 0 "[ . 1 . 2]" 1
688 1 39 HIS HD2 1 81 ILE HB 5.500 2.500 5.500 4.877 4.093 5.504 0.004 2 0 "[ . 1 . 2]" 1
689 1 80 TRP HA 1 81 ILE HA 4.500 3.000 4.500 4.337 4.320 4.353 . 0 0 "[ . 1 . 2]" 1
690 1 80 TRP QB 1 81 ILE HA 5.500 4.000 5.500 4.401 4.356 4.448 . 0 0 "[ . 1 . 2]" 1
691 1 81 ILE HA 1 83 GLY H 5.000 . 5.000 3.428 3.400 3.456 . 0 0 "[ . 1 . 2]" 1
692 1 81 ILE H 1 82 ASP H 4.000 2.500 4.000 3.007 2.959 3.061 . 0 0 "[ . 1 . 2]" 1
693 1 81 ILE HA 1 84 ALA H 5.500 2.500 5.500 5.520 5.485 5.536 0.036 2 0 "[ . 1 . 2]" 1
694 1 81 ILE H 1 81 ILE MG 3.500 2.300 3.500 2.049 1.714 2.716 0.586 7 7 "[ *. + * * -* *]" 1
695 1 81 ILE H 1 81 ILE HB 3.500 2.300 3.500 3.379 2.954 3.603 0.103 9 0 "[ . 1 . 2]" 1
696 1 81 ILE H 1 81 ILE QG 5.000 . 5.000 2.571 1.734 3.869 0.066 17 0 "[ . 1 . 2]" 1
697 1 80 TRP HA 1 82 ASP H 5.500 3.000 5.500 4.969 4.929 5.007 . 0 0 "[ . 1 . 2]" 1
698 1 80 TRP QB 1 82 ASP H 5.000 3.000 5.000 3.146 3.051 3.222 . 0 0 "[ . 1 . 2]" 1
699 1 81 ILE HB 1 82 ASP H 4.500 2.500 4.500 3.514 2.938 4.000 . 0 0 "[ . 1 . 2]" 1
700 1 81 ILE MG 1 82 ASP H 5.000 3.000 5.000 3.196 1.928 4.012 1.072 15 7 "[ -. * * * +* *]" 1
701 1 80 TRP H 1 82 ASP H 5.500 4.500 5.500 5.348 5.293 5.430 . 0 0 "[ . 1 . 2]" 1
702 1 82 ASP H 1 84 ALA MB 5.800 3.800 5.800 4.112 3.994 4.225 . 0 0 "[ . 1 . 2]" 1
703 1 82 ASP QB 1 84 ALA H 5.500 2.500 5.500 2.864 2.639 3.719 . 0 0 "[ . 1 . 2]" 1
704 1 82 ASP H 1 84 ALA H 3.500 2.500 3.500 3.593 3.537 3.642 0.142 20 0 "[ . 1 . 2]" 1
705 1 81 ILE HA 1 82 ASP H 3.500 2.300 3.500 3.584 3.578 3.591 0.091 13 0 "[ . 1 . 2]" 1
706 1 82 ASP QB 1 83 GLY H 5.000 . 5.000 3.470 3.347 3.866 . 0 0 "[ . 1 . 2]" 1
707 1 81 ILE H 1 83 GLY H 5.000 3.000 5.000 3.907 3.835 3.993 . 0 0 "[ . 1 . 2]" 1
708 1 82 ASP H 1 83 GLY H 3.000 . 3.000 2.792 2.752 2.834 . 0 0 "[ . 1 . 2]" 1
709 1 83 GLY H 1 84 ALA HA 5.000 3.000 5.000 5.035 5.017 5.056 0.056 18 0 "[ . 1 . 2]" 1
710 1 83 GLY H 1 84 ALA MB . 3.200 5.000 4.036 3.995 4.070 . 0 0 "[ . 1 . 2]" 1
711 1 83 GLY H 1 83 GLY QA 4.500 . 4.500 2.270 2.263 2.275 . 0 0 "[ . 1 . 2]" 1
712 1 84 ALA MB 1 86 TYR H 5.500 2.500 5.500 4.430 4.386 4.468 . 0 0 "[ . 1 . 2]" 1
713 1 84 ALA H 1 84 ALA MB 4.500 . 4.500 2.173 2.098 2.254 . 0 0 "[ . 1 . 2]" 1
714 1 84 ALA HA 1 85 MET H . . 3.000 2.258 2.215 2.308 . 0 0 "[ . 1 . 2]" 1
715 1 84 ALA MB 1 85 MET H 4.500 . 4.500 2.974 2.774 3.119 . 0 0 "[ . 1 . 2]" 1
716 1 83 GLY H 1 84 ALA H 5.000 . 5.000 2.371 2.343 2.394 . 0 0 "[ . 1 . 2]" 1
717 1 83 GLY QA 1 84 ALA H 4.000 . 4.000 2.896 2.879 2.913 . 0 0 "[ . 1 . 2]" 1
718 1 84 ALA H 1 85 MET H 5.000 . 5.000 4.665 4.616 4.696 . 0 0 "[ . 1 . 2]" 1
719 1 85 MET H 1 85 MET QB 4.500 . 4.500 2.715 2.475 3.098 . 0 0 "[ . 1 . 2]" 1
720 1 85 MET H 1 85 MET QG 3.500 . 3.500 2.537 1.949 3.002 0.051 14 0 "[ . 1 . 2]" 1
721 1 85 MET H 1 86 TYR H . 3.000 4.500 4.159 4.121 4.174 . 0 0 "[ . 1 . 2]" 1
722 1 85 MET QB 1 86 TYR H . 3.000 4.500 3.570 3.548 3.584 . 0 0 "[ . 1 . 2]" 1
723 1 79 GLN QB 1 85 MET HA 5.000 3.000 5.000 3.826 3.331 4.257 . 0 0 "[ . 1 . 2]" 1
724 1 84 ALA MB 1 85 MET HA 5.000 3.500 5.000 4.130 4.114 4.143 . 0 0 "[ . 1 . 2]" 1
725 1 85 MET QG 1 86 TYR H 5.200 4.000 5.200 4.381 4.175 4.606 . 0 0 "[ . 1 . 2]" 1
726 1 85 MET HA 1 86 TYR H 3.500 . 3.500 2.204 2.192 2.223 . 0 0 "[ . 1 . 2]" 1
727 1 86 TYR H 1 86 TYR QB 4.500 . 4.500 2.212 2.077 2.356 . 0 0 "[ . 1 . 2]" 1
728 1 87 LEU HA 1 87 LEU QD 5.500 . 5.500 2.119 1.970 3.267 0.030 7 0 "[ . 1 . 2]" 1
729 1 87 LEU H 1 87 LEU HG 5.000 2.500 5.000 3.612 2.484 4.733 0.016 17 0 "[ . 1 . 2]" 1
730 1 87 LEU H 1 89 ARG HA 5.500 3.500 5.500 5.545 5.434 5.675 0.175 8 0 "[ . 1 . 2]" 1
731 1 86 TYR HA 1 87 LEU H 3.200 . 3.200 2.223 2.194 2.250 . 0 0 "[ . 1 . 2]" 1
732 1 86 TYR QD 1 87 LEU H 5.000 . 5.000 3.111 2.231 4.210 . 0 0 "[ . 1 . 2]" 1
733 1 87 LEU QB 1 88 TYR H 4.500 . 4.500 3.442 2.680 3.919 . 0 0 "[ . 1 . 2]" 1
734 1 87 LEU H 1 88 TYR H 4.500 3.000 4.500 4.359 4.129 4.518 0.018 20 0 "[ . 1 . 2]" 1
735 1 88 TYR H 1 88 TYR QB 3.800 2.200 3.800 3.029 2.836 3.365 . 0 0 "[ . 1 . 2]" 1
736 1 78 TRP HE1 1 88 TYR H 5.500 3.000 5.500 5.519 5.432 5.555 0.055 20 0 "[ . 1 . 2]" 1
737 1 88 TYR H 1 89 ARG QB 5.600 3.600 5.600 4.796 4.298 5.044 . 0 0 "[ . 1 . 2]" 1
738 1 87 LEU QD 1 88 TYR H 5.000 . 5.000 3.461 2.343 3.910 . 0 0 "[ . 1 . 2]" 1
739 1 87 LEU HA 1 88 TYR H 3.000 . 3.000 2.205 2.135 2.284 . 0 0 "[ . 1 . 2]" 1
740 1 87 LEU HA 1 88 TYR QB 5.000 3.500 5.000 4.186 3.991 4.423 . 0 0 "[ . 1 . 2]" 1
741 1 88 TYR HA 1 89 ARG H 4.000 . 4.000 2.373 2.246 2.721 . 0 0 "[ . 1 . 2]" 1
742 1 88 TYR H 1 89 ARG H 4.200 2.700 4.200 3.351 2.662 3.667 0.038 8 0 "[ . 1 . 2]" 1
743 1 88 TYR QB 1 89 ARG H 4.500 3.500 4.500 3.953 3.674 4.052 . 0 0 "[ . 1 . 2]" 1
744 1 89 ARG QB 1 90 SER H 4.200 2.200 4.200 3.181 2.340 3.819 . 0 0 "[ . 1 . 2]" 1
745 1 90 SER H 1 90 SER QB 4.500 . 4.500 2.437 2.167 2.642 . 0 0 "[ . 1 . 2]" 1
746 1 89 ARG HA 1 90 SER H 4.000 . 4.000 2.397 2.201 2.565 . 0 0 "[ . 1 . 2]" 1
747 1 90 SER H 1 91 TRP HA 5.600 3.600 5.600 5.590 5.432 5.657 0.057 20 0 "[ . 1 . 2]" 1
748 1 91 TRP H 1 92 SER QB 5.500 3.000 5.500 3.864 3.571 4.386 . 0 0 "[ . 1 . 2]" 1
749 1 90 SER QB 1 91 TRP H 4.000 2.500 4.000 3.425 3.129 3.754 . 0 0 "[ . 1 . 2]" 1
750 1 90 SER HA 1 91 TRP H 3.500 2.300 3.500 2.227 2.191 2.241 0.109 5 0 "[ . 1 . 2]" 1
751 1 91 TRP QB 1 92 SER H 5.000 . 5.000 3.855 3.582 4.004 . 0 0 "[ . 1 . 2]" 1
752 1 92 SER H 1 92 SER QB 4.500 . 4.500 3.010 2.844 3.321 . 0 0 "[ . 1 . 2]" 1
753 1 91 TRP HA 1 92 SER H 4.000 . 4.000 2.225 2.201 2.245 . 0 0 "[ . 1 . 2]" 1
754 1 90 SER HA 1 92 SER H 5.500 3.500 5.500 5.510 5.419 5.573 0.073 20 0 "[ . 1 . 2]" 1
755 1 92 SER H 1 93 GLY H 3.800 2.300 3.800 3.818 3.774 3.844 0.044 17 0 "[ . 1 . 2]" 1
756 1 92 SER QB 1 93 GLY H 4.500 . 4.500 3.699 3.522 3.950 . 0 0 "[ . 1 . 2]" 1
757 1 93 GLY H 1 94 LYS H 4.500 . 4.500 2.347 2.274 2.452 . 0 0 "[ . 1 . 2]" 1
758 1 93 GLY QA 1 94 LYS H . 2.500 4.000 2.914 2.887 2.946 . 0 0 "[ . 1 . 2]" 1
759 1 94 LYS QB 1 95 SER H . . 4.000 2.950 2.148 3.703 . 0 0 "[ . 1 . 2]" 1
760 1 94 LYS H 1 94 LYS QB 3.500 . 3.500 2.740 2.443 3.168 . 0 0 "[ . 1 . 2]" 1
761 1 94 LYS H 1 94 LYS QG 4.500 2.500 4.500 3.474 2.174 4.233 0.326 18 0 "[ . 1 . 2]" 1
762 1 94 LYS H 1 95 SER H 5.000 . 5.000 4.416 4.256 4.549 . 0 0 "[ . 1 . 2]" 1
763 1 92 SER H 1 94 LYS H 4.700 3.200 4.700 3.300 3.160 3.534 0.040 17 0 "[ . 1 . 2]" 1
764 1 94 LYS QE 1 95 SER H 5.000 . 5.000 4.112 3.366 4.525 . 0 0 "[ . 1 . 2]" 1
765 1 94 LYS HA 1 95 SER H 4.000 . 4.000 2.401 2.212 2.586 . 0 0 "[ . 1 . 2]" 1
766 1 94 LYS QG 1 95 SER H 4.400 2.400 4.400 2.924 1.835 3.920 0.565 16 1 "[ . 1 .+ 2]" 1
767 1 95 SER H 1 95 SER QB 3.500 . 3.500 2.713 2.280 3.111 . 0 0 "[ . 1 . 2]" 1
768 1 96 MET HA 1 115 SER H 5.600 3.600 5.600 5.565 4.897 5.630 0.030 15 0 "[ . 1 . 2]" 1
769 1 96 MET QB 1 98 GLY H 5.000 . 5.000 3.004 2.654 4.035 . 0 0 "[ . 1 . 2]" 1
770 1 96 MET HA 1 97 GLY H 4.500 . 4.500 3.477 3.312 3.586 . 0 0 "[ . 1 . 2]" 1
771 1 96 MET QB 1 97 GLY H . 2.800 4.000 2.996 2.246 3.604 0.554 3 3 "[ + .* 1- . 2]" 1
772 1 96 MET QG 1 97 GLY H . 2.300 4.500 3.416 1.789 4.105 0.511 15 1 "[ . 1 + 2]" 1
773 1 95 SER HA 1 97 GLY H 4.200 2.700 4.200 3.856 3.360 4.257 0.057 5 0 "[ . 1 . 2]" 1
774 1 98 GLY H 1 100 LYS H 5.500 2.500 5.500 3.914 3.076 5.497 . 0 0 "[ . 1 . 2]" 1
775 1 97 GLY QA 1 98 GLY H 3.500 . 3.500 2.681 2.542 2.748 . 0 0 "[ . 1 . 2]" 1
776 1 98 GLY H 1 99 ASN H 5.000 . 5.000 2.004 1.672 4.362 0.128 16 0 "[ . 1 . 2]" 1
777 1 98 GLY H 1 99 ASN QB 5.500 2.300 5.500 4.517 4.065 4.836 . 0 0 "[ . 1 . 2]" 1
778 1 98 GLY QA 1 99 ASN H 3.200 . 3.200 2.841 2.246 2.944 . 0 0 "[ . 1 . 2]" 1
779 1 99 ASN H 1 116 SER QB 5.000 . 5.000 2.553 1.804 3.791 0.196 2 0 "[ . 1 . 2]" 1
780 1 99 ASN H 1 117 ASN H 5.500 3.500 6.000 5.525 5.067 6.062 0.062 3 0 "[ . 1 . 2]" 1
781 1 99 ASN QD 1 103 ALA H 5.500 3.500 5.500 4.235 3.396 4.643 0.104 20 0 "[ . 1 . 2]" 1
782 1 99 ASN HA 1 100 LYS H 4.500 . 4.500 3.256 3.055 3.434 . 0 0 "[ . 1 . 2]" 1
783 1 99 ASN H 1 100 LYS H . . 3.500 2.761 1.955 3.049 0.045 15 0 "[ . 1 . 2]" 1
784 1 99 ASN H 1 99 ASN QD 5.400 3.400 5.400 4.335 3.697 4.875 . 0 0 "[ . 1 . 2]" 1
785 1 99 ASN H 1 100 LYS QG 5.300 3.300 5.300 4.075 3.931 4.327 . 0 0 "[ . 1 . 2]" 1
786 1 99 ASN QB 1 100 LYS H 5.000 . 5.000 3.532 3.245 4.027 . 0 0 "[ . 1 . 2]" 1
787 1 98 GLY QA 1 100 LYS H 4.000 . 4.000 2.992 2.821 3.447 . 0 0 "[ . 1 . 2]" 1
788 1 100 LYS H 1 116 SER QB 5.000 . 5.000 2.710 2.448 3.718 . 0 0 "[ . 1 . 2]" 1
789 1 100 LYS QG 1 117 ASN H 5.000 3.000 5.000 3.788 3.441 4.359 . 0 0 "[ . 1 . 2]" 1
790 1 100 LYS QB 1 117 ASN H 5.000 3.000 5.000 2.842 2.754 3.053 0.246 18 0 "[ . 1 . 2]" 1
791 1 100 LYS QG 1 118 GLU H 5.700 3.700 5.700 4.780 4.361 5.156 . 0 0 "[ . 1 . 2]" 1
792 1 100 LYS H 1 117 ASN H 5.000 3.000 5.000 5.007 4.863 5.027 0.027 11 0 "[ . 1 . 2]" 1
793 1 100 LYS QB 1 118 GLU H 5.300 3.300 5.300 4.311 4.021 4.505 . 0 0 "[ . 1 . 2]" 1
794 1 100 LYS QB 1 119 CYS H 5.500 3.500 5.500 4.698 4.206 4.917 . 0 0 "[ . 1 . 2]" 1
795 1 100 LYS QB 1 102 CYS H 5.000 3.000 5.000 2.671 2.602 2.738 0.398 4 0 "[ . 1 . 2]" 1
796 1 100 LYS H 1 102 CYS H 5.000 3.000 5.000 4.957 4.889 5.012 0.012 1 0 "[ . 1 . 2]" 1
797 1 100 LYS H 1 100 LYS QB . . 4.000 3.185 3.145 3.230 . 0 0 "[ . 1 . 2]" 1
798 1 100 LYS H 1 100 LYS QG 3.000 . 3.000 2.322 2.248 2.476 . 0 0 "[ . 1 . 2]" 1
799 1 100 LYS QG 1 101 HIS H 5.000 3.000 5.000 3.760 3.722 3.809 . 0 0 "[ . 1 . 2]" 1
800 1 100 LYS QB 1 101 HIS H 3.500 . 3.500 1.718 1.699 1.755 . 0 0 "[ . 1 . 2]" 1
801 1 100 LYS H 1 101 HIS H 4.700 3.200 4.700 4.558 4.432 4.629 . 0 0 "[ . 1 . 2]" 1
802 1 101 HIS QB 1 119 CYS H 5.000 . 5.000 2.130 1.772 2.355 0.228 9 0 "[ . 1 . 2]" 1
803 1 101 HIS H 1 117 ASN H 5.500 2.500 5.500 4.423 4.224 4.676 . 0 0 "[ . 1 . 2]" 1
804 1 101 HIS H 1 118 GLU H 5.500 2.500 5.500 5.265 4.926 5.498 . 0 0 "[ . 1 . 2]" 1
805 1 101 HIS H 1 118 GLU QG 5.000 . 5.000 4.303 3.979 4.421 . 0 0 "[ . 1 . 2]" 1
806 1 101 HIS H 1 118 GLU QB 5.500 4.000 5.500 4.840 4.776 4.992 . 0 0 "[ . 1 . 2]" 1
807 1 101 HIS H 1 119 CYS H . 3.000 4.200 4.043 3.468 4.212 0.012 7 0 "[ . 1 . 2]" 1
808 1 101 HIS H 1 101 HIS QB 4.500 . 4.500 2.435 2.347 2.517 . 0 0 "[ . 1 . 2]" 1
809 1 101 HIS H 1 102 CYS H 3.000 . 3.000 2.180 1.987 2.374 . 0 0 "[ . 1 . 2]" 1
810 1 101 HIS QB 1 102 CYS H 5.000 . 5.000 3.031 2.863 3.119 . 0 0 "[ . 1 . 2]" 1
811 1 101 HIS H 1 102 CYS QB 5.600 4.200 5.600 4.572 4.183 5.100 0.017 2 0 "[ . 1 . 2]" 1
812 1 102 CYS HA 1 103 ALA MB 4.800 2.800 4.800 3.920 3.801 3.962 . 0 0 "[ . 1 . 2]" 1
813 1 102 CYS H 1 117 ASN H . . 4.000 3.430 3.254 3.620 . 0 0 "[ . 1 . 2]" 1
814 1 102 CYS H 1 116 SER HA 5.500 2.500 5.500 4.945 4.676 5.105 . 0 0 "[ . 1 . 2]" 1
815 1 102 CYS H 1 118 GLU H 5.700 3.700 5.700 5.484 5.265 5.669 . 0 0 "[ . 1 . 2]" 1
816 1 102 CYS HA 1 103 ALA H 4.500 . 4.500 2.328 2.216 2.493 . 0 0 "[ . 1 . 2]" 1
817 1 102 CYS H 1 102 CYS QB 4.000 . 4.000 2.975 2.726 3.403 . 0 0 "[ . 1 . 2]" 1
818 1 102 CYS QB 1 103 ALA H 4.000 . 4.000 2.781 2.440 3.081 . 0 0 "[ . 1 . 2]" 1
819 1 102 CYS H 1 103 ALA HA 4.700 2.700 4.700 4.619 4.532 4.700 0.000 13 0 "[ . 1 . 2]" 1
820 1 69 LEU HG 1 103 ALA MB 4.000 . 4.000 2.588 2.252 3.020 . 0 0 "[ . 1 . 2]" 1
821 1 69 LEU QB 1 103 ALA MB 4.200 2.200 4.200 2.491 2.258 2.741 . 0 0 "[ . 1 . 2]" 1
822 1 103 ALA MB 1 116 SER HA 4.000 . 4.000 3.209 3.113 3.328 . 0 0 "[ . 1 . 2]" 1
823 1 99 ASN HA 1 103 ALA MB 4.500 3.000 4.500 2.644 2.306 3.124 0.694 20 8 "[** * *1* . -* +]" 1
824 1 103 ALA HA 1 117 ASN H . 3.000 4.000 2.931 2.893 2.973 0.107 12 0 "[ . 1 . 2]" 1
825 1 103 ALA MB 1 115 SER H 5.400 3.400 5.400 3.830 3.371 4.253 0.029 17 0 "[ . 1 . 2]" 1
826 1 103 ALA HA 1 115 SER H 5.000 . 5.000 4.624 4.214 4.968 . 0 0 "[ . 1 . 2]" 1
827 1 103 ALA H 1 117 ASN H 5.200 3.200 5.200 4.865 4.665 5.020 . 0 0 "[ . 1 . 2]" 1
828 1 103 ALA MB 1 117 ASN H 5.200 3.200 5.200 4.260 4.138 4.328 . 0 0 "[ . 1 . 2]" 1
829 1 103 ALA H 1 103 ALA MB 4.500 . 4.500 2.367 2.192 2.558 . 0 0 "[ . 1 . 2]" 1
830 1 103 ALA MB 1 104 GLU H . . 4.000 2.533 2.437 2.781 . 0 0 "[ . 1 . 2]" 1
831 1 103 ALA H 1 104 GLU H . 2.500 4.500 4.525 4.459 4.563 0.063 15 0 "[ . 1 . 2]" 1
832 1 104 GLU H 1 104 GLU QG 3.500 . 3.500 2.316 2.107 2.769 . 0 0 "[ . 1 . 2]" 1
833 1 104 GLU H 1 104 GLU QB 3.800 . 3.800 3.182 2.853 3.275 . 0 0 "[ . 1 . 2]" 1
834 1 103 ALA HA 1 104 GLU H 4.000 . 4.000 2.377 2.288 2.407 . 0 0 "[ . 1 . 2]" 1
835 1 104 GLU H 1 105 MET H 4.500 2.500 4.500 4.418 4.375 4.440 . 0 0 "[ . 1 . 2]" 1
836 1 105 MET H 1 105 MET HA 5.000 2.800 5.000 2.965 2.947 3.009 . 0 0 "[ . 1 . 2]" 1
837 1 104 GLU HA 1 105 MET H 4.000 . 4.000 2.434 2.305 2.572 . 0 0 "[ . 1 . 2]" 1
838 1 105 MET H 1 106 SER H 4.500 3.000 4.500 4.470 4.177 4.583 0.083 4 0 "[ . 1 . 2]" 1
839 1 105 MET HA 1 106 SER H 3.500 . 3.500 2.201 2.177 2.265 . 0 0 "[ . 1 . 2]" 1
840 1 105 MET QG 1 106 SER H 5.500 2.800 5.500 4.294 3.996 4.563 . 0 0 "[ . 1 . 2]" 1
841 1 106 SER H 1 107 SER H 5.500 2.800 5.500 4.232 4.118 4.586 . 0 0 "[ . 1 . 2]" 1
842 1 106 SER H 1 106 SER QB 5.500 2.800 5.500 2.550 2.200 2.885 0.600 11 2 "[ -. 1+ . 2]" 1
843 1 105 MET QB 1 106 SER H 4.500 . 4.500 3.255 2.836 3.403 . 0 0 "[ . 1 . 2]" 1
844 1 106 SER HA 1 107 SER H 4.500 . 4.500 2.265 2.192 2.305 . 0 0 "[ . 1 . 2]" 1
845 1 107 SER H 1 108 ASN HA 5.500 3.000 5.500 5.204 5.127 5.301 . 0 0 "[ . 1 . 2]" 1
846 1 108 ASN HA 1 109 ASN H 5.500 2.500 5.500 3.527 3.491 3.534 . 0 0 "[ . 1 . 2]" 1
847 1 108 ASN QB 1 109 ASN H 5.500 2.500 5.500 2.902 2.693 3.577 . 0 0 "[ . 1 . 2]" 1
848 1 109 ASN H 1 110 ASN HA 5.500 2.500 5.500 5.363 5.147 5.458 . 0 0 "[ . 1 . 2]" 1
849 1 107 SER HA 1 109 ASN H 5.000 . 5.000 3.968 3.690 4.192 . 0 0 "[ . 1 . 2]" 1
850 1 110 ASN H 1 111 PHE QD 5.500 3.000 5.500 3.564 3.126 3.918 . 0 0 "[ . 1 . 2]" 1
851 1 109 ASN QB 1 110 ASN H 4.500 2.500 4.500 3.286 2.890 3.705 . 0 0 "[ . 1 . 2]" 1
852 1 110 ASN QB 1 111 PHE H 4.000 2.500 4.000 3.009 2.721 3.589 . 0 0 "[ . 1 . 2]" 1
853 1 110 ASN HA 1 111 PHE H 4.000 . 4.000 3.470 3.403 3.529 . 0 0 "[ . 1 . 2]" 1
854 1 111 PHE QB 1 112 LEU H 5.000 2.500 5.000 3.471 3.320 3.629 . 0 0 "[ . 1 . 2]" 1
855 1 111 PHE HA 1 112 LEU H 3.500 . 3.500 3.234 3.125 3.327 . 0 0 "[ . 1 . 2]" 1
856 1 113 THR H 1 113 THR MG 5.000 2.500 5.000 2.766 1.791 3.791 0.709 3 7 "[ + - **** * 2]" 1
857 1 112 LEU HA 1 113 THR H 5.000 2.500 5.000 2.766 2.703 2.983 . 0 0 "[ . 1 . 2]" 1
858 1 112 LEU QB 1 113 THR H 5.000 2.500 5.000 3.927 3.794 4.079 . 0 0 "[ . 1 . 2]" 1
859 1 113 THR HA 1 114 TRP H 4.000 . 4.000 2.322 2.227 2.466 . 0 0 "[ . 1 . 2]" 1
860 1 113 THR HB 1 114 TRP H 5.000 2.500 5.000 3.561 2.484 4.132 0.016 20 0 "[ . 1 . 2]" 1
861 1 105 MET HA 1 114 TRP HA 4.100 2.400 4.100 2.520 2.351 3.332 0.049 9 0 "[ . 1 . 2]" 1
862 1 114 TRP HA 1 115 SER H . . 3.500 2.402 2.335 2.440 . 0 0 "[ . 1 . 2]" 1
863 1 114 TRP QB 1 115 SER H . 2.500 4.000 2.567 2.458 2.712 0.042 7 0 "[ . 1 . 2]" 1
864 1 104 GLU QB 1 115 SER H 5.300 3.800 5.300 4.729 4.346 4.824 . 0 0 "[ . 1 . 2]" 1
865 1 115 SER HA 1 116 SER H 5.000 . 5.000 2.270 2.196 2.332 . 0 0 "[ . 1 . 2]" 1
866 1 115 SER QB 1 116 SER H 5.000 2.500 5.000 3.076 2.711 3.725 . 0 0 "[ . 1 . 2]" 1
867 1 116 SER QB 1 117 ASN H . . 4.000 3.016 2.752 3.583 . 0 0 "[ . 1 . 2]" 1
868 1 116 SER H 1 117 ASN H 5.000 2.500 5.000 4.626 4.600 4.641 . 0 0 "[ . 1 . 2]" 1
869 1 117 ASN H 1 117 ASN QB 3.500 . 3.500 2.802 2.726 3.169 . 0 0 "[ . 1 . 2]" 1
870 1 116 SER HA 1 117 ASN H 3.500 . 3.500 2.283 2.224 2.355 . 0 0 "[ . 1 . 2]" 1
871 1 117 ASN H 1 118 GLU H . . 5.000 4.381 4.317 4.412 . 0 0 "[ . 1 . 2]" 1
872 1 117 ASN QD 1 121 LYS H 5.600 3.600 5.600 4.130 3.260 4.752 0.340 12 0 "[ . 1 . 2]" 1
873 1 117 ASN HA 1 118 GLU H . . 3.500 2.354 2.257 2.411 . 0 0 "[ . 1 . 2]" 1
874 1 117 ASN QD 1 118 GLU H 5.000 . 5.000 3.232 1.654 4.452 0.146 12 0 "[ . 1 . 2]" 1
875 1 118 GLU H 1 119 CYS HA 5.700 3.700 5.700 5.480 5.393 5.609 . 0 0 "[ . 1 . 2]" 1
876 1 118 GLU QB 1 120 ASN H 5.000 3.000 5.000 2.766 2.317 2.965 0.683 12 1 "[ . 1 + . 2]" 1
877 1 118 GLU QB 1 121 LYS H 5.000 . 5.000 3.588 2.697 4.007 . 0 0 "[ . 1 . 2]" 1
878 1 118 GLU QG 1 120 ASN H . 2.100 4.600 2.594 2.121 4.141 . 0 0 "[ . 1 . 2]" 1
879 1 118 GLU HA 1 120 ASN H . 3.000 4.000 3.976 3.790 4.030 0.030 12 0 "[ . 1 . 2]" 1
880 1 118 GLU H 1 120 ASN H 5.000 3.000 5.000 4.422 4.209 5.023 0.023 12 0 "[ . 1 . 2]" 1
881 1 118 GLU H 1 121 LYS H 5.500 3.500 5.500 4.755 4.051 5.215 . 0 0 "[ . 1 . 2]" 1
882 1 118 GLU H 1 118 GLU QB 4.500 . 4.500 2.292 2.187 2.325 . 0 0 "[ . 1 . 2]" 1
883 1 118 GLU HA 1 119 CYS H . . 4.000 2.279 2.213 2.371 . 0 0 "[ . 1 . 2]" 1
884 1 118 GLU QG 1 119 CYS H . . 4.000 2.360 2.158 3.444 . 0 0 "[ . 1 . 2]" 1
885 1 118 GLU QB 1 119 CYS H . . 4.000 3.520 2.676 3.676 . 0 0 "[ . 1 . 2]" 1
886 1 118 GLU H 1 119 CYS H 5.000 . 5.000 4.646 4.620 4.677 . 0 0 "[ . 1 . 2]" 1
887 1 102 CYS H 1 119 CYS H 4.500 2.500 4.500 4.248 3.811 4.508 0.008 16 0 "[ . 1 . 2]" 1
888 1 102 CYS QB 1 119 CYS H 5.500 2.500 5.500 3.817 3.321 4.851 . 0 0 "[ . 1 . 2]" 1
889 1 119 CYS H 1 121 LYS H 5.000 . 5.000 4.875 4.275 5.011 0.011 17 0 "[ . 1 . 2]" 1
890 1 119 CYS H 1 120 ASN H . . 4.000 3.118 2.556 3.261 . 0 0 "[ . 1 . 2]" 1
891 1 119 CYS HA 1 120 ASN H 4.000 . 4.000 2.952 2.848 3.412 . 0 0 "[ . 1 . 2]" 1
892 1 119 CYS QB 1 120 ASN H 4.200 2.200 4.200 3.775 3.140 3.864 . 0 0 "[ . 1 . 2]" 1
893 1 120 ASN HA 1 122 ARG H 5.300 3.300 5.300 5.206 4.750 5.363 0.063 6 0 "[ . 1 . 2]" 1
894 1 120 ASN H 1 120 ASN QB 4.500 . 4.500 2.617 2.309 2.732 . 0 0 "[ . 1 . 2]" 1
895 1 120 ASN H 1 121 LYS H 4.500 . 4.500 1.984 1.926 2.473 0.074 2 0 "[ . 1 . 2]" 1
896 1 120 ASN QB 1 121 LYS H 5.000 . 5.000 3.342 2.756 3.613 . 0 0 "[ . 1 . 2]" 1
897 1 120 ASN H 1 121 LYS QB 5.500 3.500 5.500 3.733 3.514 4.241 . 0 0 "[ . 1 . 2]" 1
898 1 120 ASN HA 1 121 LYS H 4.000 . 4.000 3.307 3.152 3.549 . 0 0 "[ . 1 . 2]" 1
899 1 121 LYS H 1 121 LYS QB 4.500 . 4.500 2.337 2.254 2.592 . 0 0 "[ . 1 . 2]" 1
900 1 121 LYS H 1 122 ARG H 5.000 . 5.000 4.353 4.231 4.435 . 0 0 "[ . 1 . 2]" 1
901 1 121 LYS QB 1 122 ARG H 5.000 . 5.000 3.865 3.478 4.031 . 0 0 "[ . 1 . 2]" 1
902 1 122 ARG HA 1 123 GLN H 4.500 . 4.500 2.161 2.105 2.205 . 0 0 "[ . 1 . 2]" 1
903 1 122 ARG H 1 122 ARG QG 5.000 . 5.000 2.481 1.676 3.258 0.124 10 0 "[ . 1 . 2]" 1
904 1 122 ARG QB 1 123 GLN H 5.000 . 5.000 3.410 3.247 3.539 . 0 0 "[ . 1 . 2]" 1
905 1 122 ARG H 1 123 GLN H 5.000 . 5.000 4.482 4.405 4.542 . 0 0 "[ . 1 . 2]" 1
906 1 122 ARG QD 1 123 GLN H 5.700 4.200 5.700 4.884 4.312 5.167 . 0 0 "[ . 1 . 2]" 1
907 1 124 HIS HA 1 125 PHE H . . 3.500 2.458 2.413 2.522 . 0 0 "[ . 1 . 2]" 1
908 1 124 HIS QB 1 125 PHE H . . 3.500 2.469 2.383 2.560 . 0 0 "[ . 1 . 2]" 1
909 1 125 PHE QB 1 126 LEU H . . 3.500 2.764 2.554 2.919 . 0 0 "[ . 1 . 2]" 1
910 1 125 PHE HA 1 126 LEU H . . 3.500 2.311 2.262 2.386 . 0 0 "[ . 1 . 2]" 1
911 1 125 PHE H 1 126 LEU H 5.000 . 5.000 4.352 4.304 4.401 . 0 0 "[ . 1 . 2]" 1
912 1 41 ALA H 1 126 LEU H 5.300 3.800 5.300 4.396 4.106 4.651 . 0 0 "[ . 1 . 2]" 1
913 1 56 ILE MD 1 126 LEU QB 5.500 2.500 5.500 3.292 2.692 3.694 . 0 0 "[ . 1 . 2]" 1
914 1 126 LEU H 1 126 LEU QB 3.500 . 3.500 2.407 2.375 2.433 . 0 0 "[ . 1 . 2]" 1
915 1 126 LEU HA 1 127 CYS H . . 3.500 2.243 2.219 2.302 . 0 0 "[ . 1 . 2]" 1
916 1 126 LEU QD 1 127 CYS H 5.000 . 5.000 2.837 1.731 3.299 0.069 5 0 "[ . 1 . 2]" 1
917 1 126 LEU H 1 126 LEU QD 5.000 . 5.000 3.793 3.666 3.843 . 0 0 "[ . 1 . 2]" 1
918 1 126 LEU H 1 127 CYS H . 2.500 4.500 4.526 4.481 4.553 0.053 19 0 "[ . 1 . 2]" 1
919 1 126 LEU QB 1 127 CYS H . 2.200 4.200 3.594 3.430 3.699 . 0 0 "[ . 1 . 2]" 1
920 1 40 LEU QD 1 127 CYS HA 4.000 2.800 4.000 3.016 2.900 3.105 . 0 0 "[ . 1 . 2]" 1
921 1 40 LEU HA 1 127 CYS HA 3.000 . 3.000 2.614 2.417 2.884 . 0 0 "[ . 1 . 2]" 1
922 1 127 CYS HA 1 128 LYS H . . 3.500 2.289 2.207 2.361 . 0 0 "[ . 1 . 2]" 1
923 1 127 CYS QB 1 128 LYS H . . 4.000 3.406 2.761 3.628 . 0 0 "[ . 1 . 2]" 1
924 1 128 LYS QG 1 130 ARG H 5.500 2.500 5.500 4.472 4.308 4.648 . 0 0 "[ . 1 . 2]" 1
925 1 128 LYS HA 1 129 TYR H 5.000 . 5.000 2.312 2.299 2.322 . 0 0 "[ . 1 . 2]" 1
926 1 128 LYS QG 1 129 TYR H 5.000 . 5.000 2.161 2.120 2.191 . 0 0 "[ . 1 . 2]" 1
927 1 128 LYS H 1 128 LYS QG 5.000 . 5.000 4.065 3.996 4.108 . 0 0 "[ . 1 . 2]" 1
928 1 128 LYS H 1 129 TYR H 5.000 . 5.000 4.481 4.431 4.530 . 0 0 "[ . 1 . 2]" 1
929 1 128 LYS QB 1 129 TYR H 5.000 . 5.000 3.500 3.476 3.521 . 0 0 "[ . 1 . 2]" 1
930 1 128 LYS H 1 129 TYR HA 5.000 . 5.000 4.894 4.800 4.989 . 0 0 "[ . 1 . 2]" 1
931 1 129 TYR HA 1 130 ARG H 5.000 . 5.000 2.221 2.204 2.258 . 0 0 "[ . 1 . 2]" 1
932 1 129 TYR QB 1 130 ARG H 5.000 . 5.000 3.076 2.874 3.564 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 57
_Distance_constraint_stats_list.Viol_count 199
_Distance_constraint_stats_list.Viol_total 138.525
_Distance_constraint_stats_list.Viol_max 0.111
_Distance_constraint_stats_list.Viol_rms 0.0176
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0348
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 CYS 0.015 0.010 4 0 "[ . 1 . 2]"
1 16 GLY 0.047 0.013 4 0 "[ . 1 . 2]"
1 18 PHE 0.719 0.076 13 0 "[ . 1 . 2]"
1 22 ARG 0.109 0.035 14 0 "[ . 1 . 2]"
1 23 ASN 0.639 0.065 12 0 "[ . 1 . 2]"
1 24 TRP 0.001 0.001 20 0 "[ . 1 . 2]"
1 25 SER 0.024 0.024 12 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.639 0.065 12 0 "[ . 1 . 2]"
1 28 GLU 0.001 0.001 20 0 "[ . 1 . 2]"
1 29 LEU 0.024 0.024 12 0 "[ . 1 . 2]"
1 30 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.531 0.034 3 0 "[ . 1 . 2]"
1 37 GLY 0.531 0.034 3 0 "[ . 1 . 2]"
1 39 HIS 0.030 0.028 15 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.073 0.018 6 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.826 0.108 7 0 "[ . 1 . 2]"
1 50 SER 0.090 0.026 17 0 "[ . 1 . 2]"
1 51 THR 1.359 0.106 2 0 "[ . 1 . 2]"
1 52 ILE 0.130 0.034 14 0 "[ . 1 . 2]"
1 53 ALA 0.826 0.108 7 0 "[ . 1 . 2]"
1 54 GLU 0.090 0.026 17 0 "[ . 1 . 2]"
1 55 TYR 1.286 0.106 2 0 "[ . 1 . 2]"
1 56 ILE 0.130 0.034 14 0 "[ . 1 . 2]"
1 66 TRP 1.369 0.111 4 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 TRP 0.341 0.055 4 0 "[ . 1 . 2]"
1 83 GLY 0.341 0.055 4 0 "[ . 1 . 2]"
1 99 ASN 0.422 0.095 18 0 "[ . 1 . 2]"
1 102 CYS 0.499 0.095 18 0 "[ . 1 . 2]"
1 104 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ASN 0.077 0.024 14 0 "[ . 1 . 2]"
1 118 GLU 0.198 0.030 6 0 "[ . 1 . 2]"
1 121 LYS 0.198 0.030 6 0 "[ . 1 . 2]"
1 123 GLN 0.109 0.035 14 0 "[ . 1 . 2]"
1 124 HIS 0.029 0.015 18 0 "[ . 1 . 2]"
1 125 PHE 0.719 0.076 13 0 "[ . 1 . 2]"
1 126 LEU 1.340 0.111 4 0 "[ . 1 . 2]"
1 127 CYS 0.047 0.013 4 0 "[ . 1 . 2]"
1 128 LYS 0.030 0.028 15 0 "[ . 1 . 2]"
1 129 TYR 0.015 0.010 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 GLY H 1 127 CYS O 2.300 . 2.600 2.511 2.277 2.613 0.013 4 0 "[ . 1 . 2]" 2
2 1 16 GLY N 1 127 CYS O 3.300 2.800 3.600 3.454 3.167 3.542 . 0 0 "[ . 1 . 2]" 2
3 1 18 PHE H 1 125 PHE O 2.300 . 2.700 2.396 2.264 2.604 . 0 0 "[ . 1 . 2]" 2
4 1 18 PHE N 1 125 PHE O 3.300 2.800 3.600 3.272 3.158 3.421 . 0 0 "[ . 1 . 2]" 2
5 1 22 ARG H 1 123 GLN O 2.300 . 2.500 2.109 1.848 2.412 . 0 0 "[ . 1 . 2]" 2
6 1 22 ARG N 1 123 GLN O 3.300 2.800 3.600 3.072 2.820 3.382 . 0 0 "[ . 1 . 2]" 2
7 1 23 ASN O 1 27 ALA H 2.300 . 2.500 1.768 1.735 1.794 0.065 12 0 "[ . 1 . 2]" 2
8 1 23 ASN O 1 27 ALA N 2.500 . 2.800 2.632 2.578 2.697 . 0 0 "[ . 1 . 2]" 2
9 1 24 TRP O 1 28 GLU H 2.300 . 2.500 1.947 1.837 2.049 . 0 0 "[ . 1 . 2]" 2
10 1 24 TRP O 1 28 GLU N 3.300 2.800 3.600 2.915 2.799 3.019 0.001 20 0 "[ . 1 . 2]" 2
11 1 25 SER O 1 29 LEU H 2.300 . 2.500 2.342 2.234 2.524 0.024 12 0 "[ . 1 . 2]" 2
12 1 25 SER O 1 29 LEU N 3.300 2.800 3.600 3.260 3.129 3.477 . 0 0 "[ . 1 . 2]" 2
13 1 26 ASP O 1 30 GLU H 2.300 . 2.500 2.213 1.915 2.363 . 0 0 "[ . 1 . 2]" 2
14 1 26 ASP O 1 30 GLU N 3.300 2.800 3.600 3.025 2.800 3.160 . 0 0 "[ . 1 . 2]" 2
15 1 28 GLU O 1 32 GLN H 2.300 . 2.500 2.202 2.017 2.276 . 0 0 "[ . 1 . 2]" 2
16 1 28 GLU O 1 32 GLN N 3.300 2.600 3.600 3.099 2.914 3.205 . 0 0 "[ . 1 . 2]" 2
17 1 31 CYS O 1 33 SER H 2.300 . 2.500 2.239 2.217 2.262 . 0 0 "[ . 1 . 2]" 2
18 1 35 GLY O 1 37 GLY H 2.300 . 2.500 2.527 2.515 2.534 0.034 3 0 "[ . 1 . 2]" 2
19 1 35 GLY O 1 37 GLY N 3.300 2.800 3.600 3.063 3.010 3.084 . 0 0 "[ . 1 . 2]" 2
20 1 39 HIS H 1 128 LYS O 2.300 . 2.500 2.317 2.121 2.469 . 0 0 "[ . 1 . 2]" 2
21 1 39 HIS N 1 128 LYS O 3.300 2.800 3.600 3.183 3.027 3.298 . 0 0 "[ . 1 . 2]" 2
22 1 46 LEU O 1 49 ALA N 3.300 2.800 3.600 3.134 2.949 3.409 . 0 0 "[ . 1 . 2]" 2
23 1 47 LYS O 1 51 THR H 2.300 . 2.700 2.578 2.258 2.718 0.018 6 0 "[ . 1 . 2]" 2
24 1 47 LYS O 1 51 THR N 3.300 2.800 3.600 3.472 3.210 3.613 0.013 10 0 "[ . 1 . 2]" 2
25 1 48 GLU O 1 52 ILE H 2.300 . 2.700 2.259 1.848 2.625 . 0 0 "[ . 1 . 2]" 2
26 1 48 GLU O 1 52 ILE N 3.300 2.800 3.600 3.224 2.823 3.583 . 0 0 "[ . 1 . 2]" 2
27 1 49 ALA O 1 53 ALA H 2.300 . 2.500 1.893 1.820 2.159 . 0 0 "[ . 1 . 2]" 2
28 1 49 ALA O 1 53 ALA N 3.300 2.800 3.600 2.807 2.692 3.133 0.108 7 0 "[ . 1 . 2]" 2
29 1 50 SER O 1 54 GLU H 2.300 . 2.500 2.311 1.832 2.526 0.026 17 0 "[ . 1 . 2]" 2
30 1 50 SER O 1 54 GLU N 3.300 2.800 3.600 3.190 2.795 3.388 0.005 18 0 "[ . 1 . 2]" 2
31 1 51 THR O 1 55 TYR H 2.300 . 2.650 2.714 2.645 2.756 0.106 2 0 "[ . 1 . 2]" 2
32 1 51 THR O 1 55 TYR N 3.300 2.800 3.600 3.513 3.412 3.573 . 0 0 "[ . 1 . 2]" 2
33 1 52 ILE O 1 56 ILE H 2.300 . 2.500 1.922 1.819 2.098 . 0 0 "[ . 1 . 2]" 2
34 1 52 ILE O 1 56 ILE N 3.300 2.800 3.600 2.856 2.766 3.040 0.034 14 0 "[ . 1 . 2]" 2
35 1 66 TRP H 1 124 HIS O 2.300 . 2.900 2.593 2.371 2.845 . 0 0 "[ . 1 . 2]" 2
36 1 66 TRP N 1 124 HIS O 3.300 2.800 3.600 3.458 3.277 3.615 0.015 18 0 "[ . 1 . 2]" 2
37 1 67 ILE O 1 69 LEU H 2.300 . 2.500 2.079 2.019 2.286 . 0 0 "[ . 1 . 2]" 2
38 1 67 ILE O 1 69 LEU N 3.300 2.800 3.600 2.902 2.851 3.078 . 0 0 "[ . 1 . 2]" 2
39 1 80 TRP O 1 83 GLY H 2.300 . 2.500 1.946 1.898 1.999 . 0 0 "[ . 1 . 2]" 2
40 1 80 TRP O 1 83 GLY N 3.300 2.800 3.600 2.786 2.745 2.840 0.055 4 0 "[ . 1 . 2]" 2
41 1 99 ASN O 1 102 CYS N 3.300 2.800 3.600 2.807 2.705 2.896 0.095 18 0 "[ . 1 . 2]" 2
42 1 104 GLU H 1 115 SER O 2.300 . 2.500 2.074 1.850 2.320 . 0 0 "[ . 1 . 2]" 2
43 1 104 GLU N 1 115 SER O 3.300 2.800 3.600 2.987 2.803 3.228 . 0 0 "[ . 1 . 2]" 2
44 1 102 CYS O 1 117 ASN H 2.300 . 2.500 1.998 1.843 2.203 . 0 0 "[ . 1 . 2]" 2
45 1 102 CYS O 1 117 ASN N 3.300 2.800 3.600 2.924 2.776 3.165 0.024 14 0 "[ . 1 . 2]" 2
46 1 118 GLU O 1 121 LYS H 2.300 . 2.500 2.499 2.408 2.530 0.030 6 0 "[ . 1 . 2]" 2
47 1 118 GLU O 1 121 LYS N 3.300 2.800 3.600 3.393 3.298 3.468 . 0 0 "[ . 1 . 2]" 2
48 1 22 ARG O 1 123 GLN H 2.300 . 2.500 2.429 2.258 2.535 0.035 14 0 "[ . 1 . 2]" 2
49 1 22 ARG O 1 123 GLN N 3.300 2.800 3.600 3.371 3.215 3.472 . 0 0 "[ . 1 . 2]" 2
50 1 18 PHE O 1 125 PHE N 3.300 2.800 3.600 3.636 3.601 3.676 0.076 13 0 "[ . 1 . 2]" 2
51 1 66 TRP O 1 126 LEU H 2.300 . 2.700 2.767 2.733 2.811 0.111 4 0 "[ . 1 . 2]" 2
52 1 66 TRP O 1 126 LEU N 3.300 2.800 3.800 3.695 3.584 3.779 . 0 0 "[ . 1 . 2]" 2
53 1 16 GLY O 1 127 CYS H 2.300 . 2.500 2.419 2.334 2.513 0.013 9 0 "[ . 1 . 2]" 2
54 1 16 GLY O 1 127 CYS N 3.300 2.800 3.600 3.374 3.275 3.477 . 0 0 "[ . 1 . 2]" 2
55 1 39 HIS O 1 128 LYS H 2.300 . 2.500 1.945 1.772 2.220 0.028 15 0 "[ . 1 . 2]" 2
56 1 39 HIS O 1 128 LYS N 3.300 2.600 3.600 2.793 2.642 2.965 . 0 0 "[ . 1 . 2]" 2
57 1 14 CYS O 1 129 TYR N 3.300 2.800 3.600 3.059 2.795 3.610 0.010 4 0 "[ . 1 . 2]" 2
stop_
save_