NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
376403 |
1fho   |
4373 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fho
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 1090
_Distance_constraint_stats_list.Viol_count 2613
_Distance_constraint_stats_list.Viol_total 15383.557
_Distance_constraint_stats_list.Viol_max 2.741
_Distance_constraint_stats_list.Viol_rms 0.1209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0226
_Distance_constraint_stats_list.Viol_average_violations_only 0.2355
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 2.367 0.234 2 0 "[ . 1 . 2 .]"
1 4 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 LEU 9.962 0.912 5 11 "[*- *+ * 1*** . * 2* * .]"
1 9 ARG 3.715 0.301 13 0 "[ . 1 . 2 .]"
1 10 ILE 1.032 0.243 21 0 "[ . 1 . 2 .]"
1 11 ILE 3.260 0.344 19 0 "[ . 1 . 2 .]"
1 12 ARG 31.541 0.949 20 18 "[* * .***-****** * +** **]"
1 13 HIS 2.811 0.446 20 0 "[ . 1 . 2 .]"
1 14 ASP 6.666 0.798 15 4 "[ . 1 + * * - .]"
1 15 ALA 0.205 0.104 20 0 "[ . 1 . 2 .]"
1 16 PHE 18.136 1.100 6 6 "[* .+* 1* . - *.]"
1 17 GLN 7.885 0.940 24 4 "[ .** 1 . - +.]"
1 18 VAL 53.637 2.084 21 16 "[ * ** *1**-**** *2+***.]"
1 19 TRP 7.473 1.023 4 2 "[ +. 1 .- 2 .]"
1 20 GLU 2.724 0.255 11 0 "[ . 1 . 2 .]"
1 21 GLY 6.072 0.708 21 5 "[ * . - * *. 2+ .]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 GLU 12.168 0.708 21 6 "[ * . *-* *. 2+ .]"
1 25 PRO 2.150 0.974 16 1 "[ . 1 .+ 2 .]"
1 26 LYS 48.163 2.084 21 13 "[ * ** 1 *-** * *2+***.]"
1 27 LEU 56.852 2.741 13 19 "[ ** *** ***-+**** ** ***]"
1 28 ARG 7.653 1.100 6 3 "[- .+ 1* . 2 .]"
1 29 TYR 26.647 1.288 25 13 "[ **** ** -*.* ** *+]"
1 30 VAL 7.088 0.798 15 4 "[ . 1 + * * - .]"
1 31 PHE 16.868 1.510 17 8 "[ ** - ** + 2 * *]"
1 32 LEU 33.072 0.949 20 20 "[* * .***-****** * *+*****]"
1 33 PHE 40.363 2.250 20 17 "[ * -****1* **.** *+*** *]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 LYS 42.097 2.250 20 19 "[ * *****1*-**.****+*** *]"
1 37 ILE 8.484 0.534 24 1 "[ . 1 . 2 +.]"
1 38 MET 16.081 1.510 17 8 "[ * * * - ** + 2 * .]"
1 39 PHE 13.595 0.869 7 7 "[ -. + 1 *. ** **]"
1 40 THR 22.762 1.288 25 10 "[ **** ** - .* * +]"
1 41 GLU 7.783 0.869 7 5 "[ . + 1 -. ** *.]"
1 42 GLN 56.334 2.741 13 19 "[ ** *** ***-+**** ** ***]"
1 43 ASP 5.721 0.890 15 2 "[ . 1 - + 2 .]"
1 44 ALA 0.643 0.170 24 0 "[ . 1 . 2 .]"
1 45 SER 6.736 0.350 24 0 "[ . 1 . 2 .]"
1 46 THR 3.763 0.350 24 0 "[ . 1 . 2 .]"
1 47 SER 0.418 0.113 11 0 "[ . 1 . 2 .]"
1 49 PRO 3.763 0.399 12 0 "[ . 1 . 2 .]"
1 50 SER 8.650 0.890 15 2 "[ . 1 - + 2 .]"
1 51 TYR 1.857 0.277 13 0 "[ . 1 . 2 .]"
1 54 TYR 1.325 0.255 11 0 "[ . 1 . 2 .]"
1 55 SER 1.491 0.235 5 0 "[ . 1 . 2 .]"
1 56 SER 3.801 1.293 7 2 "[ - . + 1 . 2 .]"
1 57 ILE 11.670 0.966 21 5 "[ . 1 - . ** 2+ *.]"
1 58 ARG 1.010 0.152 10 0 "[ . 1 . 2 .]"
1 59 LEU 11.474 0.831 10 5 "[ * . - + . * *.]"
1 60 ASP 4.494 0.451 10 0 "[ . 1 . 2 .]"
1 61 LYS 1.915 0.291 21 0 "[ . 1 . 2 .]"
1 62 TYR 5.949 0.500 9 1 "[ . +1 . 2 .]"
1 63 ASN 14.841 2.416 9 4 "[ * *+1 . *2 .]"
1 64 ILE 4.805 0.258 2 0 "[ . 1 . 2 .]"
1 65 ARG 5.142 0.840 10 1 "[ . + . 2 .]"
1 66 GLN 4.000 0.840 10 1 "[ . + . 2 .]"
1 67 HIS 14.719 1.342 12 5 "[ * . -* + . 2* .]"
1 68 THR 4.262 2.075 12 2 "[ . - + . 2 .]"
1 69 THR 2.446 0.155 4 0 "[ . 1 . 2 .]"
1 70 ASP 4.284 0.586 5 4 "[ - + * 1 . * 2 .]"
1 71 GLU 8.717 0.722 25 4 "[ * - 1* . 2 +]"
1 72 ASP 10.070 2.075 12 6 "[ * - **+ . 2 *]"
1 73 THR 16.051 1.342 12 5 "[ * . -* + . 2* .]"
1 74 ILE 17.338 0.870 1 8 "[+ * . *1 * . ** - *]"
1 75 VAL 5.534 0.591 18 1 "[ . 1 . + 2 .]"
1 76 LEU 47.498 1.456 18 19 "[*** ****-1***** + * ****]"
1 77 GLN 16.575 2.416 9 4 "[ * *+1 . *2 .]"
1 78 PRO 0.721 0.142 12 0 "[ . 1 . 2 .]"
1 79 GLN 5.306 0.798 5 2 "[ + -1 . 2 .]"
1 80 GLU 1.077 0.258 22 0 "[ . 1 . 2 .]"
1 81 PRO 0.524 0.258 22 0 "[ . 1 . 2 .]"
1 82 GLY 0.226 0.078 13 0 "[ . 1 . 2 .]"
1 83 LEU 1.092 0.192 11 0 "[ . 1 . 2 .]"
1 84 PRO 2.029 0.224 25 0 "[ . 1 . 2 .]"
1 85 SER 2.472 0.224 25 0 "[ . 1 . 2 .]"
1 86 PHE 49.204 1.456 18 19 "[*** ****-1***** + * ****]"
1 87 ARG 9.232 1.023 4 3 "[ +. 1 .* - 2 .]"
1 88 ILE 24.035 0.870 1 12 "[+ ** *1* -*** * * *]"
1 89 LYS 3.457 0.515 5 1 "[ + 1 . 2 .]"
1 90 PRO 10.691 1.522 5 9 "[ * *+ * * .* * * -]"
1 91 LYS 4.302 0.515 5 1 "[ + 1 . 2 .]"
1 92 ASP 11.267 1.522 5 9 "[ * *+ * * .* * * -]"
1 93 PHE 7.708 1.579 19 6 "[ - . * * . +2* *]"
1 95 THR 2.708 0.384 13 0 "[ . 1 . 2 .]"
1 96 SER 11.859 1.579 19 6 "[ - . * * . +2* *]"
1 97 GLU 21.689 2.306 10 10 "[ ** * + .** -*** .]"
1 98 TYR 11.773 0.986 10 4 "[ . + . - 2* * .]"
1 99 VAL 6.469 0.950 23 3 "[ . * . - 2 + .]"
1 100 ARG 5.582 0.708 6 3 "[ .+ 1 - * 2 .]"
1 101 LYS 18.250 2.306 10 8 "[ ** * + .* - ** .]"
1 102 ALA 4.727 0.831 25 1 "[ . 1 . 2 +]"
1 103 TRP 19.869 0.987 25 7 "[ . * - * *2 ** +]"
1 104 LEU 6.220 0.643 13 3 "[ . 1 + .* - 2 .]"
1 105 ARG 3.782 0.615 16 1 "[ . 1 .+ 2 .]"
1 106 ASP 7.073 0.643 13 3 "[ . 1 + .* - 2 .]"
1 107 ILE 13.964 0.831 10 6 "[ ** . + * 2 -*]"
1 108 ALA 0.950 0.242 5 0 "[ . 1 . 2 .]"
1 109 GLU 5.430 0.826 25 4 "[ * . - * 2 +]"
1 110 GLU 11.284 0.891 10 6 "[ **. * + . 2 *-.]"
1 111 GLN 14.143 0.928 5 9 "[ * +* * *.- 2 * **]"
1 112 GLU 7.829 0.831 10 3 "[ - . + . 2 *.]"
1 113 LYS 6.101 0.759 25 4 "[ .* 1 .*- 2 +]"
1 114 TYR 4.498 0.928 5 3 "[ + 1 *. 2 - .]"
1 115 ALA 0.043 0.043 3 0 "[ . 1 . 2 .]"
1 116 ALA 0.002 0.002 19 0 "[ . 1 . 2 .]"
1 117 GLU 10.206 0.786 25 5 "[ * .* 1 . * 2 -+]"
1 118 ARG 7.342 0.598 6 2 "[ .+ 1 . 2 -.]"
1 119 ASP 2.488 0.437 25 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 1 MET HA 1 1 MET HB2 2.200 . 2.800 2.688 2.423 3.034 0.234 2 0 "[ . 1 . 2 .]" 1
2 1 1 MET HA 1 1 MET HB3 2.300 . 3.000 2.718 2.408 3.032 0.032 10 0 "[ . 1 . 2 .]" 1
3 1 1 MET HA 1 1 MET QG 2.600 . 3.400 2.657 2.332 3.367 . 0 0 "[ . 1 . 2 .]" 1
4 1 1 MET HB2 1 1 MET QG 2.000 . 2.500 2.320 2.153 2.398 . 0 0 "[ . 1 . 2 .]" 1
5 1 4 THR HA 1 4 THR MG 2.600 . 3.400 2.357 1.992 3.228 . 0 0 "[ . 1 . 2 .]" 1
6 1 4 THR HB 1 4 THR MG 2.400 . 3.100 2.095 2.053 2.124 . 0 0 "[ . 1 . 2 .]" 1
7 1 7 LEU HA 1 7 LEU HB2 2.700 . 3.600 2.839 2.454 3.027 . 0 0 "[ . 1 . 2 .]" 1
8 1 7 LEU HA 1 7 LEU HB3 2.500 . 3.300 2.699 2.407 3.031 . 0 0 "[ . 1 . 2 .]" 1
9 1 7 LEU HA 1 7 LEU MD1 2.300 . 3.000 2.852 1.693 3.912 0.912 5 11 "[*- *+ * 1*** . * 2* * .]" 1
10 1 7 LEU HA 1 9 ARG QG 2.600 . 5.500 4.490 3.293 5.407 . 0 0 "[ . 1 . 2 .]" 1
11 1 7 LEU HB2 1 7 LEU MD1 2.400 . 3.100 2.468 2.151 3.212 0.112 17 0 "[ . 1 . 2 .]" 1
12 1 7 LEU HB2 1 7 LEU HG 2.400 . 3.100 2.674 2.428 3.035 . 0 0 "[ . 1 . 2 .]" 1
13 1 7 LEU HB3 1 7 LEU MD1 2.500 . 3.300 2.690 2.262 3.214 . 0 0 "[ . 1 . 2 .]" 1
14 1 9 ARG HA 1 9 ARG QB 2.200 . 2.800 2.338 2.171 2.456 . 0 0 "[ . 1 . 2 .]" 1
15 1 9 ARG HA 1 9 ARG QG 2.300 . 3.000 2.619 2.205 3.301 0.301 13 0 "[ . 1 . 2 .]" 1
16 1 9 ARG HA 1 10 ILE H 2.300 . 3.000 2.462 2.093 3.243 0.243 21 0 "[ . 1 . 2 .]" 1
17 1 9 ARG HB2 1 9 ARG HG2 1.400 . 2.200 2.230 2.017 2.347 0.147 5 0 "[ . 1 . 2 .]" 1
18 1 9 ARG QB 1 9 ARG QD 1.800 . 2.200 2.197 2.031 2.369 0.169 4 0 "[ . 1 . 2 .]" 1
19 1 9 ARG QB 1 10 ILE H 3.400 . 4.800 3.598 1.778 3.902 0.222 21 0 "[ . 1 . 2 .]" 1
20 1 9 ARG QB 1 13 HIS QB 2.000 . 5.500 3.997 1.813 5.366 . 0 0 "[ . 1 . 2 .]" 1
21 1 9 ARG QD 1 9 ARG QG 1.700 . 2.200 2.061 1.986 2.104 . 0 0 "[ . 1 . 2 .]" 1
22 1 9 ARG QG 1 33 PHE QD 4.200 . 5.500 4.684 3.129 5.276 . 0 0 "[ . 1 . 2 .]" 1
23 1 10 ILE H 1 10 ILE HB 2.400 . 3.100 2.658 2.460 3.189 0.089 14 0 "[ . 1 . 2 .]" 1
24 1 10 ILE H 1 10 ILE MG 2.600 . 3.400 2.169 1.787 3.438 0.038 8 0 "[ . 1 . 2 .]" 1
25 1 10 ILE HA 1 10 ILE HB 2.700 . 3.600 2.414 2.335 2.515 . 0 0 "[ . 1 . 2 .]" 1
26 1 10 ILE HA 1 10 ILE MG 2.500 . 3.300 3.198 3.156 3.233 . 0 0 "[ . 1 . 2 .]" 1
27 1 10 ILE HA 1 11 ILE H 2.900 . 4.000 3.258 2.103 3.651 . 0 0 "[ . 1 . 2 .]" 1
28 1 10 ILE HB 1 10 ILE MG 2.200 . 2.800 2.095 2.059 2.136 . 0 0 "[ . 1 . 2 .]" 1
29 1 10 ILE MG 1 33 PHE QD 2.300 . 3.000 2.644 1.942 3.069 0.069 25 0 "[ . 1 . 2 .]" 1
30 1 11 ILE H 1 11 ILE HB 2.900 . 4.000 2.915 2.379 3.755 . 0 0 "[ . 1 . 2 .]" 1
31 1 11 ILE H 1 11 ILE HG12 3.000 . 4.100 3.587 3.203 4.113 0.013 2 0 "[ . 1 . 2 .]" 1
32 1 11 ILE H 1 11 ILE HG13 3.200 . 4.500 2.661 2.180 3.161 . 0 0 "[ . 1 . 2 .]" 1
33 1 11 ILE H 1 11 ILE MG 2.800 . 5.500 3.890 3.739 4.033 . 0 0 "[ . 1 . 2 .]" 1
34 1 11 ILE H 1 12 ARG H 3.100 . 4.300 3.451 2.879 4.520 0.220 10 0 "[ . 1 . 2 .]" 1
35 1 11 ILE HA 1 11 ILE HB 2.800 . 3.800 3.021 2.986 3.040 . 0 0 "[ . 1 . 2 .]" 1
36 1 11 ILE HA 1 11 ILE MG 2.300 . 3.000 2.348 2.075 2.529 . 0 0 "[ . 1 . 2 .]" 1
37 1 11 ILE HA 1 12 ARG QB 2.800 . 5.500 4.428 3.941 5.282 . 0 0 "[ . 1 . 2 .]" 1
38 1 11 ILE HB 1 11 ILE MD 2.400 . 3.100 2.438 2.223 2.538 . 0 0 "[ . 1 . 2 .]" 1
39 1 11 ILE HB 1 11 ILE MG 2.400 . 3.100 2.107 2.070 2.135 . 0 0 "[ . 1 . 2 .]" 1
40 1 11 ILE HB 1 12 ARG H 2.500 . 3.300 1.842 1.555 2.871 0.145 6 0 "[ . 1 . 2 .]" 1
41 1 11 ILE HB 1 12 ARG HA 2.500 . 5.500 4.506 4.080 4.808 . 0 0 "[ . 1 . 2 .]" 1
42 1 11 ILE HB 1 12 ARG QB 2.300 . 5.500 3.982 3.619 4.403 . 0 0 "[ . 1 . 2 .]" 1
43 1 11 ILE HB 1 33 PHE QD 2.700 . 3.600 3.200 2.283 3.737 0.137 18 0 "[ . 1 . 2 .]" 1
44 1 11 ILE MD 1 11 ILE HG12 2.100 . 2.700 2.088 2.062 2.122 . 0 0 "[ . 1 . 2 .]" 1
45 1 11 ILE MD 1 11 ILE HG13 2.100 . 2.700 2.085 2.050 2.116 . 0 0 "[ . 1 . 2 .]" 1
46 1 11 ILE MD 1 11 ILE MG 1.900 . 2.400 1.939 1.679 2.230 . 0 0 "[ . 1 . 2 .]" 1
47 1 11 ILE MD 1 32 LEU MD1 2.300 . 3.000 2.792 1.631 3.343 0.343 20 0 "[ . 1 . 2 .]" 1
48 1 11 ILE HG12 1 111 GLN H 3.600 . 5.500 4.707 2.783 5.588 0.088 15 0 "[ . 1 . 2 .]" 1
49 1 11 ILE MG 1 12 ARG H 2.700 . 3.600 2.355 1.925 3.657 0.057 20 0 "[ . 1 . 2 .]" 1
50 1 11 ILE MG 1 32 LEU QB 2.200 . 2.800 2.289 1.603 3.144 0.344 19 0 "[ . 1 . 2 .]" 1
51 1 11 ILE MG 1 32 LEU MD1 5.500 . 5.500 2.065 1.696 3.120 0.004 3 0 "[ . 1 . 2 .]" 1
52 1 11 ILE MG 1 106 ASP QB 3.000 . 4.100 3.078 1.857 4.183 0.083 5 0 "[ . 1 . 2 .]" 1
53 1 12 ARG H 1 12 ARG QB 3.000 . 4.100 2.714 2.276 2.893 . 0 0 "[ . 1 . 2 .]" 1
54 1 12 ARG H 1 13 HIS HA 2.800 . 5.500 4.662 4.116 5.126 . 0 0 "[ . 1 . 2 .]" 1
55 1 12 ARG H 1 32 LEU H 3.000 . 4.100 3.321 2.835 4.171 0.071 20 0 "[ . 1 . 2 .]" 1
56 1 12 ARG H 1 32 LEU O 1.950 . 2.200 2.741 2.215 3.149 0.949 20 18 "[* * .***-****** * +** **]" 1
57 1 12 ARG H 1 33 PHE HA 3.300 . 4.700 4.628 3.789 4.887 0.187 22 0 "[ . 1 . 2 .]" 1
58 1 12 ARG H 1 103 TRP HZ2 3.600 . 5.200 4.628 3.877 4.914 . 0 0 "[ . 1 . 2 .]" 1
59 1 12 ARG HA 1 12 ARG QB 2.400 . 3.100 2.457 2.078 2.544 . 0 0 "[ . 1 . 2 .]" 1
60 1 12 ARG HA 1 13 HIS H 2.500 . 3.300 2.491 2.273 3.474 0.174 20 0 "[ . 1 . 2 .]" 1
61 1 12 ARG QB 1 103 TRP HH2 2.600 . 3.400 3.103 1.396 3.513 0.404 23 0 "[ . 1 . 2 .]" 1
62 1 12 ARG QB 1 103 TRP HZ3 3.300 . 4.700 3.966 3.002 4.569 . 0 0 "[ . 1 . 2 .]" 1
63 1 12 ARG QG 1 13 HIS H 2.600 . 3.400 2.736 1.730 3.681 0.281 7 0 "[ . 1 . 2 .]" 1
64 1 12 ARG HG3 1 103 TRP HD1 2.900 . 4.000 3.568 2.447 4.831 0.831 25 1 "[ . 1 . 2 +]" 1
65 1 12 ARG N 1 32 LEU O 2.950 2.700 3.200 3.525 3.006 3.842 0.642 15 5 "[ . * * - + 2 *.]" 1
66 1 12 ARG O 1 32 LEU H 1.950 . 2.200 2.025 1.699 2.878 0.678 20 2 "[ . - 1 . + .]" 1
67 1 12 ARG O 1 32 LEU N 2.950 2.700 3.200 2.943 2.666 3.632 0.432 20 0 "[ . 1 . 2 .]" 1
68 1 13 HIS H 1 13 HIS HD2 3.300 . 4.700 3.824 1.859 4.802 0.102 22 0 "[ . 1 . 2 .]" 1
69 1 13 HIS HA 1 13 HIS QB 2.600 . 3.400 2.197 2.152 2.412 . 0 0 "[ . 1 . 2 .]" 1
70 1 13 HIS HA 1 14 ASP H 2.800 . 3.800 2.181 2.006 2.314 . 0 0 "[ . 1 . 2 .]" 1
71 1 13 HIS HA 1 31 PHE HA 2.800 . 3.800 2.260 1.886 3.526 . 0 0 "[ . 1 . 2 .]" 1
72 1 13 HIS HA 1 31 PHE QD 2.600 . 3.400 3.194 2.590 3.509 0.109 11 0 "[ . 1 . 2 .]" 1
73 1 13 HIS HA 1 32 LEU H 3.900 . 5.500 3.264 2.753 4.767 . 0 0 "[ . 1 . 2 .]" 1
74 1 13 HIS HA 1 33 PHE HZ 3.500 . 5.000 4.678 3.821 5.446 0.446 20 0 "[ . 1 . 2 .]" 1
75 1 13 HIS QB 1 14 ASP H 3.800 . 5.500 3.334 2.844 3.939 . 0 0 "[ . 1 . 2 .]" 1
76 1 13 HIS QB 1 33 PHE QE 3.200 . 4.500 3.566 1.778 4.490 0.122 6 0 "[ . 1 . 2 .]" 1
77 1 13 HIS HD2 1 14 ASP H 4.100 . 5.500 4.802 2.587 5.570 0.070 1 0 "[ . 1 . 2 .]" 1
78 1 14 ASP H 1 14 ASP HA 2.900 . 4.000 2.906 2.842 2.948 . 0 0 "[ . 1 . 2 .]" 1
79 1 14 ASP H 1 30 VAL H 3.100 . 4.300 3.703 2.978 4.301 0.001 15 0 "[ . 1 . 2 .]" 1
80 1 14 ASP H 1 30 VAL QG 4.100 . 5.500 3.857 3.074 4.679 . 0 0 "[ . 1 . 2 .]" 1
81 1 14 ASP H 1 30 VAL O 1.950 . 2.200 2.004 1.719 2.906 0.706 20 1 "[ . 1 . + .]" 1
82 1 14 ASP H 1 31 PHE QE 3.000 . 5.500 4.428 3.443 4.921 . 0 0 "[ . 1 . 2 .]" 1
83 1 14 ASP H 1 32 LEU H 4.900 . 5.500 4.943 4.325 5.659 0.159 20 0 "[ . 1 . 2 .]" 1
84 1 14 ASP H 1 103 TRP HZ3 3.500 . 5.500 5.042 4.339 5.579 0.079 19 0 "[ . 1 . 2 .]" 1
85 1 14 ASP HA 1 14 ASP QB 2.400 . 3.100 2.461 2.359 2.544 . 0 0 "[ . 1 . 2 .]" 1
86 1 14 ASP HA 1 103 TRP HE1 3.000 . 5.500 4.986 3.921 5.607 0.107 25 0 "[ . 1 . 2 .]" 1
87 1 14 ASP HA 1 103 TRP HZ2 2.500 . 5.500 4.312 3.686 5.561 0.061 7 0 "[ . 1 . 2 .]" 1
88 1 14 ASP QB 1 15 ALA H 2.700 . 5.500 2.821 2.106 3.567 . 0 0 "[ . 1 . 2 .]" 1
89 1 14 ASP QB 1 103 TRP HE3 3.000 . 5.500 5.073 4.237 5.475 . 0 0 "[ . 1 . 2 .]" 1
90 1 14 ASP QB 1 103 TRP HZ2 3.000 . 4.100 2.319 1.851 3.458 0.049 11 0 "[ . 1 . 2 .]" 1
91 1 14 ASP N 1 30 VAL O 2.950 2.700 3.200 2.911 2.709 3.816 0.616 20 1 "[ . 1 . + .]" 1
92 1 14 ASP O 1 30 VAL H 1.950 . 2.200 2.204 1.717 2.998 0.798 15 4 "[ . 1 + * * - .]" 1
93 1 14 ASP O 1 30 VAL N 2.950 2.700 3.200 2.895 2.600 3.483 0.283 20 0 "[ . 1 . 2 .]" 1
94 1 15 ALA H 1 15 ALA MB 2.300 . 3.000 2.386 2.153 2.761 . 0 0 "[ . 1 . 2 .]" 1
95 1 15 ALA HA 1 15 ALA MB 2.200 . 2.800 2.106 2.077 2.132 . 0 0 "[ . 1 . 2 .]" 1
96 1 15 ALA HA 1 30 VAL H 2.600 . 3.400 2.764 1.699 3.504 0.104 20 0 "[ . 1 . 2 .]" 1
97 1 15 ALA MB 1 27 LEU QD 2.300 . 5.500 2.596 1.809 3.898 . 0 0 "[ . 1 . 2 .]" 1
98 1 16 PHE H 1 16 PHE HB2 2.800 . 3.800 2.702 2.357 4.006 0.206 24 0 "[ . 1 . 2 .]" 1
99 1 16 PHE H 1 16 PHE HB3 3.800 . 5.500 3.706 3.279 3.860 . 0 0 "[ . 1 . 2 .]" 1
100 1 16 PHE H 1 16 PHE QD 5.500 . 5.500 3.221 2.171 3.932 . 0 0 "[ . 1 . 2 .]" 1
101 1 16 PHE H 1 27 LEU QD 3.400 . 4.800 3.653 2.909 4.314 . 0 0 "[ . 1 . 2 .]" 1
102 1 16 PHE H 1 28 ARG H 2.800 . 3.800 3.547 2.980 4.246 0.446 1 0 "[ . 1 . 2 .]" 1
103 1 16 PHE H 1 28 ARG O 1.950 . 2.200 2.004 1.769 2.295 0.095 5 0 "[ . 1 . 2 .]" 1
104 1 16 PHE H 1 30 VAL QG 3.300 . 4.700 3.264 2.716 4.758 0.058 7 0 "[ . 1 . 2 .]" 1
105 1 16 PHE HA 1 16 PHE HB2 2.600 . 3.400 2.973 2.355 3.053 . 0 0 "[ . 1 . 2 .]" 1
106 1 16 PHE HA 1 16 PHE HB3 2.800 . 3.800 2.518 2.446 2.624 . 0 0 "[ . 1 . 2 .]" 1
107 1 16 PHE HA 1 16 PHE QD 2.500 . 3.300 2.636 1.724 3.615 0.315 24 0 "[ . 1 . 2 .]" 1
108 1 16 PHE HA 1 17 GLN H 2.600 . 3.400 2.281 2.090 2.605 . 0 0 "[ . 1 . 2 .]" 1
109 1 16 PHE HA 1 90 PRO HA 2.400 . 5.500 4.210 2.511 5.477 . 0 0 "[ . 1 . 2 .]" 1
110 1 16 PHE HA 1 91 LYS H 2.600 . 5.500 4.891 3.728 5.667 0.167 14 0 "[ . 1 . 2 .]" 1
111 1 16 PHE HB2 1 16 PHE QD 2.800 . 3.800 2.377 2.195 2.636 . 0 0 "[ . 1 . 2 .]" 1
112 1 16 PHE HB2 1 18 VAL HB 2.700 . 5.500 4.709 3.103 5.659 0.159 1 0 "[ . 1 . 2 .]" 1
113 1 16 PHE HB3 1 16 PHE QD 2.700 . 3.600 2.489 2.210 2.761 . 0 0 "[ . 1 . 2 .]" 1
114 1 16 PHE HB3 1 17 GLN H 2.700 . 3.600 3.035 2.069 3.860 0.260 25 0 "[ . 1 . 2 .]" 1
115 1 16 PHE HB3 1 17 GLN HB3 5.500 . 5.500 5.586 4.902 6.440 0.940 24 4 "[ .** 1 . - +.]" 1
116 1 16 PHE HB3 1 91 LYS H 4.100 . 5.500 5.072 3.959 5.741 0.241 15 0 "[ . 1 . 2 .]" 1
117 1 16 PHE QD 1 17 GLN H 3.500 . 5.000 3.769 2.401 4.685 . 0 0 "[ . 1 . 2 .]" 1
118 1 16 PHE QD 1 18 VAL HA 3.500 . 5.000 4.926 3.946 5.260 0.260 16 0 "[ . 1 . 2 .]" 1
119 1 16 PHE QD 1 30 VAL HB 2.600 . 3.400 2.728 1.904 3.453 0.053 15 0 "[ . 1 . 2 .]" 1
120 1 16 PHE QD 1 30 VAL QG 2.300 . 3.000 2.124 1.700 3.134 0.134 7 0 "[ . 1 . 2 .]" 1
121 1 16 PHE QD 1 88 ILE HB 3.100 . 4.300 2.874 1.857 3.599 0.043 8 0 "[ . 1 . 2 .]" 1
122 1 16 PHE QD 1 88 ILE MD 3.100 . 4.300 3.236 2.486 4.031 . 0 0 "[ . 1 . 2 .]" 1
123 1 16 PHE QD 1 89 LYS H 3.400 . 4.800 3.953 2.429 4.924 0.124 21 0 "[ . 1 . 2 .]" 1
124 1 16 PHE QD 1 90 PRO HA 2.900 . 4.000 3.212 2.060 4.137 0.137 24 0 "[ . 1 . 2 .]" 1
125 1 16 PHE QE 1 88 ILE MD 2.700 . 5.500 3.123 2.252 3.700 . 0 0 "[ . 1 . 2 .]" 1
126 1 16 PHE N 1 28 ARG O 2.950 2.700 3.200 2.939 2.754 3.195 . 0 0 "[ . 1 . 2 .]" 1
127 1 16 PHE O 1 28 ARG H 1.950 . 2.200 2.113 1.670 3.300 1.100 6 3 "[- .+ 1* . 2 .]" 1
128 1 16 PHE O 1 28 ARG N 2.950 2.700 3.200 2.965 2.634 4.099 0.899 6 2 "[ .+ 1- . 2 .]" 1
129 1 17 GLN H 1 17 GLN HB2 2.600 . 5.500 3.073 2.591 3.818 . 0 0 "[ . 1 . 2 .]" 1
130 1 17 GLN H 1 17 GLN HB3 2.600 . 3.400 2.732 2.376 3.420 0.020 17 0 "[ . 1 . 2 .]" 1
131 1 17 GLN H 1 18 VAL QG 2.900 . 4.000 3.206 2.503 4.001 0.001 6 0 "[ . 1 . 2 .]" 1
132 1 17 GLN H 1 89 LYS H 3.300 . 5.500 4.776 4.330 5.064 . 0 0 "[ . 1 . 2 .]" 1
133 1 17 GLN HA 1 17 GLN HB2 2.400 . 3.100 2.494 2.420 2.633 . 0 0 "[ . 1 . 2 .]" 1
134 1 17 GLN HA 1 17 GLN HB3 2.200 . 5.500 2.983 2.392 3.064 . 0 0 "[ . 1 . 2 .]" 1
135 1 17 GLN HA 1 18 VAL H 2.400 . 3.100 2.258 2.100 2.491 . 0 0 "[ . 1 . 2 .]" 1
136 1 17 GLN HA 1 27 LEU H 5.500 . 5.500 4.398 3.720 5.201 . 0 0 "[ . 1 . 2 .]" 1
137 1 17 GLN HA 1 27 LEU HA 2.400 . 3.100 2.173 1.661 2.778 0.039 18 0 "[ . 1 . 2 .]" 1
138 1 17 GLN HA 1 28 ARG H 3.400 . 4.800 3.071 2.668 3.400 . 0 0 "[ . 1 . 2 .]" 1
139 1 17 GLN HA 1 88 ILE MG 2.400 . 5.500 5.531 5.237 5.690 0.190 22 0 "[ . 1 . 2 .]" 1
140 1 17 GLN HB2 1 17 GLN QG 2.200 . 2.800 2.336 2.145 2.437 . 0 0 "[ . 1 . 2 .]" 1
141 1 17 GLN HB2 1 18 VAL H 3.000 . 5.500 4.475 3.518 4.632 . 0 0 "[ . 1 . 2 .]" 1
142 1 17 GLN HB2 1 29 TYR QE 2.900 . 5.500 5.128 3.752 5.624 0.124 22 0 "[ . 1 . 2 .]" 1
143 1 17 GLN HB3 1 18 VAL H 3.400 . 4.800 4.409 4.268 4.527 . 0 0 "[ . 1 . 2 .]" 1
144 1 17 GLN QG 1 25 PRO HB3 2.900 . 5.500 4.168 3.029 5.190 . 0 0 "[ . 1 . 2 .]" 1
145 1 18 VAL H 1 18 VAL HB 2.600 . 5.500 3.375 2.592 3.792 . 0 0 "[ . 1 . 2 .]" 1
146 1 18 VAL H 1 18 VAL QG 2.700 . 3.600 2.018 1.730 2.446 0.070 14 0 "[ . 1 . 2 .]" 1
147 1 18 VAL H 1 19 TRP H 4.200 . 5.500 4.289 3.887 4.468 . 0 0 "[ . 1 . 2 .]" 1
148 1 18 VAL H 1 25 PRO HB2 3.800 . 5.500 5.369 3.931 6.474 0.974 16 1 "[ . 1 .+ 2 .]" 1
149 1 18 VAL H 1 26 LYS H 2.800 . 3.800 3.604 3.195 4.197 0.397 21 0 "[ . 1 . 2 .]" 1
150 1 18 VAL H 1 26 LYS O 1.950 . 2.200 2.790 1.890 4.284 2.084 21 13 "[ * ** 1 *-** * *2+***.]" 1
151 1 18 VAL H 1 27 LEU HA 3.400 . 4.800 3.923 2.644 4.700 . 0 0 "[ . 1 . 2 .]" 1
152 1 18 VAL H 1 28 ARG H 3.500 . 5.000 4.036 3.139 4.696 . 0 0 "[ . 1 . 2 .]" 1
153 1 18 VAL H 1 89 LYS H 3.400 . 5.500 4.831 3.991 5.237 . 0 0 "[ . 1 . 2 .]" 1
154 1 18 VAL HA 1 18 VAL QG 2.300 . 3.000 2.166 1.860 2.507 . 0 0 "[ . 1 . 2 .]" 1
155 1 18 VAL HA 1 19 TRP H 2.800 . 3.800 2.423 2.041 3.258 . 0 0 "[ . 1 . 2 .]" 1
156 1 18 VAL HA 1 19 TRP HE3 3.100 . 4.300 3.848 3.079 4.103 . 0 0 "[ . 1 . 2 .]" 1
157 1 18 VAL HA 1 88 ILE HA 2.800 . 5.500 4.928 4.023 5.471 . 0 0 "[ . 1 . 2 .]" 1
158 1 18 VAL QG 1 19 TRP H 2.700 . 3.600 2.284 1.580 3.068 0.420 22 0 "[ . 1 . 2 .]" 1
159 1 18 VAL QG 1 19 TRP HZ3 2.400 . 3.100 2.668 2.223 3.482 0.382 3 0 "[ . 1 . 2 .]" 1
160 1 18 VAL QG 1 20 GLU HA 2.800 . 5.500 4.652 3.304 5.426 . 0 0 "[ . 1 . 2 .]" 1
161 1 18 VAL QG 1 28 ARG QB 2.400 . 5.500 4.227 2.062 5.222 . 0 0 "[ . 1 . 2 .]" 1
162 1 18 VAL QG 1 88 ILE HA 2.900 . 5.500 1.391 0.977 1.834 . 0 0 "[ . 1 . 2 .]" 1
163 1 18 VAL QG 1 88 ILE HA 2.600 . 3.400 1.360 0.974 1.701 0.826 23 9 "[ ** *1* **-* 2 + .]" 1
164 1 18 VAL QG 1 91 LYS H 3.600 . 5.200 4.110 3.212 5.087 . 0 0 "[ . 1 . 2 .]" 1
165 1 18 VAL N 1 26 LYS O 2.950 2.700 3.200 3.376 2.702 4.434 1.234 21 3 "[ . 1 . *2+ -.]" 1
166 1 18 VAL O 1 26 LYS H 1.950 . 2.200 2.390 1.776 3.500 1.300 17 7 "[ - 1 ** + 2* **.]" 1
167 1 18 VAL O 1 26 LYS N 2.950 2.700 3.200 3.296 2.646 4.459 1.259 17 5 "[ . 1 *- + 2* * .]" 1
168 1 19 TRP H 1 19 TRP QB 2.900 . 4.000 2.588 2.387 2.754 . 0 0 "[ . 1 . 2 .]" 1
169 1 19 TRP H 1 19 TRP HD1 2.800 . 5.500 4.283 3.648 5.074 . 0 0 "[ . 1 . 2 .]" 1
170 1 19 TRP H 1 20 GLU H 4.300 . 5.500 4.278 2.012 4.591 . 0 0 "[ . 1 . 2 .]" 1
171 1 19 TRP H 1 89 LYS QG 3.700 . 5.400 4.675 4.154 5.260 . 0 0 "[ . 1 . 2 .]" 1
172 1 19 TRP HA 1 19 TRP QB 2.400 . 3.100 2.305 2.246 2.390 . 0 0 "[ . 1 . 2 .]" 1
173 1 19 TRP HA 1 19 TRP HD1 3.300 . 4.700 3.192 2.907 3.501 . 0 0 "[ . 1 . 2 .]" 1
174 1 19 TRP HA 1 20 GLU H 2.500 . 3.300 2.241 2.056 3.468 0.168 16 0 "[ . 1 . 2 .]" 1
175 1 19 TRP HA 1 25 PRO HA 2.300 . 3.000 2.221 1.642 2.917 . 0 0 "[ . 1 . 2 .]" 1
176 1 19 TRP QB 1 19 TRP HD1 2.600 . 5.500 2.644 2.536 2.728 . 0 0 "[ . 1 . 2 .]" 1
177 1 19 TRP QB 1 19 TRP HE3 2.800 . 3.800 2.577 2.483 2.787 . 0 0 "[ . 1 . 2 .]" 1
178 1 19 TRP QB 1 20 GLU H 3.400 . 4.800 3.267 2.409 3.782 . 0 0 "[ . 1 . 2 .]" 1
179 1 19 TRP QB 1 87 ARG H 3.100 . 4.300 4.236 2.572 5.323 1.023 4 2 "[ +. 1 .- 2 .]" 1
180 1 19 TRP HD1 1 25 PRO HB2 3.300 . 5.500 4.743 4.119 4.939 . 0 0 "[ . 1 . 2 .]" 1
181 1 19 TRP HD1 1 25 PRO HB3 3.500 . 5.000 3.361 2.669 3.980 . 0 0 "[ . 1 . 2 .]" 1
182 1 19 TRP HE1 1 25 PRO HB2 3.300 . 5.500 4.827 4.418 5.317 . 0 0 "[ . 1 . 2 .]" 1
183 1 19 TRP HE1 1 25 PRO HB3 3.200 . 4.500 3.444 2.786 4.246 . 0 0 "[ . 1 . 2 .]" 1
184 1 19 TRP HE3 1 87 ARG QB 3.000 . 4.100 3.472 2.036 4.153 0.053 23 0 "[ . 1 . 2 .]" 1
185 1 19 TRP HE3 1 88 ILE HA 3.100 . 5.500 5.086 4.016 5.615 0.115 4 0 "[ . 1 . 2 .]" 1
186 1 19 TRP HE3 1 89 LYS H 3.700 . 5.400 5.053 4.505 5.590 0.190 6 0 "[ . 1 . 2 .]" 1
187 1 19 TRP HE3 1 89 LYS QB 3.600 . 5.200 4.458 3.239 4.945 . 0 0 "[ . 1 . 2 .]" 1
188 1 19 TRP HE3 1 89 LYS HG2 2.700 . 5.500 4.040 3.598 5.372 . 0 0 "[ . 1 . 2 .]" 1
189 1 19 TRP HZ3 1 87 ARG QB 3.200 . 4.500 3.345 2.178 3.922 . 0 0 "[ . 1 . 2 .]" 1
190 1 19 TRP HZ3 1 89 LYS H 3.000 . 5.500 4.847 4.064 5.464 . 0 0 "[ . 1 . 2 .]" 1
191 1 19 TRP HZ3 1 89 LYS QB 2.700 . 3.600 3.157 2.343 3.420 . 0 0 "[ . 1 . 2 .]" 1
192 1 20 GLU H 1 20 GLU HB2 2.800 . 3.800 2.789 2.053 3.692 . 0 0 "[ . 1 . 2 .]" 1
193 1 20 GLU H 1 20 GLU HB3 3.000 . 4.100 2.878 2.385 4.044 . 0 0 "[ . 1 . 2 .]" 1
194 1 20 GLU H 1 20 GLU QG 3.300 . 4.700 3.736 1.853 4.309 0.047 3 0 "[ . 1 . 2 .]" 1
195 1 20 GLU H 1 23 GLU H 4.000 . 5.500 4.535 3.049 5.516 0.016 10 0 "[ . 1 . 2 .]" 1
196 1 20 GLU H 1 25 PRO HA 3.900 . 5.500 3.727 2.913 5.200 . 0 0 "[ . 1 . 2 .]" 1
197 1 20 GLU HA 1 20 GLU HB2 2.300 . 3.000 2.619 2.278 3.023 0.023 23 0 "[ . 1 . 2 .]" 1
198 1 20 GLU HA 1 20 GLU HB3 2.300 . 3.000 2.880 2.231 3.032 0.032 19 0 "[ . 1 . 2 .]" 1
199 1 20 GLU HA 1 21 GLY H 2.100 . 5.500 2.532 2.069 2.955 . 0 0 "[ . 1 . 2 .]" 1
200 1 20 GLU HA 1 39 PHE QE 5.500 . 5.500 5.267 4.305 5.755 0.255 11 0 "[ . 1 . 2 .]" 1
201 1 20 GLU HA 1 41 GLU HG2 2.800 . 5.500 4.845 3.677 5.539 0.039 9 0 "[ . 1 . 2 .]" 1
202 1 20 GLU HA 1 86 PHE HA 2.700 . 3.600 3.270 2.411 3.769 0.169 12 0 "[ . 1 . 2 .]" 1
203 1 20 GLU HA 1 87 ARG H 3.400 . 4.800 3.405 2.262 4.128 . 0 0 "[ . 1 . 2 .]" 1
204 1 20 GLU HB2 1 21 GLY H 3.300 . 4.700 4.233 3.537 4.668 . 0 0 "[ . 1 . 2 .]" 1
205 1 20 GLU HB3 1 21 GLY H 2.900 . 5.500 3.833 2.164 4.496 . 0 0 "[ . 1 . 2 .]" 1
206 1 20 GLU QG 1 39 PHE QE 2.600 . 3.400 3.296 2.233 3.513 0.113 2 0 "[ . 1 . 2 .]" 1
207 1 21 GLY H 1 21 GLY HA2 2.900 . 4.000 2.473 2.280 2.930 . 0 0 "[ . 1 . 2 .]" 1
208 1 21 GLY H 1 21 GLY HA3 2.700 . 3.600 2.754 2.243 2.974 . 0 0 "[ . 1 . 2 .]" 1
209 1 21 GLY H 1 86 PHE HA 3.700 . 5.400 3.427 2.575 4.305 . 0 0 "[ . 1 . 2 .]" 1
210 1 21 GLY H 1 86 PHE QD 3.500 . 5.500 4.809 3.396 5.167 . 0 0 "[ . 1 . 2 .]" 1
211 1 21 GLY HA2 1 22 ASP H 4.400 . 5.500 3.004 2.058 3.549 . 0 0 "[ . 1 . 2 .]" 1
212 1 21 GLY HA2 1 23 GLU H 3.100 . 4.300 3.966 3.209 4.417 0.117 25 0 "[ . 1 . 2 .]" 1
213 1 21 GLY HA3 1 22 ASP H 4.100 . 5.500 2.629 2.113 3.575 . 0 0 "[ . 1 . 2 .]" 1
214 1 21 GLY HA3 1 23 GLU H 2.800 . 3.800 3.847 3.114 4.508 0.708 21 5 "[ * . - * *. 2+ .]" 1
215 1 22 ASP H 1 23 GLU H 3.400 . 4.800 2.797 2.296 3.566 . 0 0 "[ . 1 . 2 .]" 1
216 1 22 ASP HA 1 22 ASP HB2 2.400 . 3.100 2.710 2.358 3.032 . 0 0 "[ . 1 . 2 .]" 1
217 1 22 ASP HA 1 22 ASP HB3 2.400 . 3.100 2.785 2.429 3.045 . 0 0 "[ . 1 . 2 .]" 1
218 1 22 ASP HA 1 23 GLU H 3.000 . 4.100 2.966 2.360 3.565 . 0 0 "[ . 1 . 2 .]" 1
219 1 22 ASP HB2 1 23 GLU H 3.400 . 4.800 4.237 3.831 4.646 . 0 0 "[ . 1 . 2 .]" 1
220 1 22 ASP HB3 1 23 GLU H 2.600 . 5.500 4.085 2.630 4.497 . 0 0 "[ . 1 . 2 .]" 1
221 1 23 GLU H 1 23 GLU HA 2.500 . 3.300 2.676 2.212 2.955 . 0 0 "[ . 1 . 2 .]" 1
222 1 23 GLU H 1 23 GLU QB 2.100 . 2.700 2.692 2.144 3.223 0.523 9 1 "[ . +1 . 2 .]" 1
223 1 23 GLU H 1 23 GLU HB3 3.000 . 4.100 3.556 2.414 4.003 . 0 0 "[ . 1 . 2 .]" 1
224 1 23 GLU HA 1 23 GLU HB2 2.400 . 3.100 2.798 2.372 3.035 . 0 0 "[ . 1 . 2 .]" 1
225 1 23 GLU HA 1 23 GLU HB3 2.800 . 3.800 2.695 2.428 3.034 . 0 0 "[ . 1 . 2 .]" 1
226 1 23 GLU HA 1 23 GLU HG3 2.900 . 4.000 3.105 2.373 3.858 . 0 0 "[ . 1 . 2 .]" 1
227 1 23 GLU HB2 1 23 GLU HG2 2.200 . 2.800 2.801 2.445 3.024 0.224 12 0 "[ . 1 . 2 .]" 1
228 1 25 PRO HA 1 25 PRO HB2 2.400 . 3.100 2.784 2.652 2.961 . 0 0 "[ . 1 . 2 .]" 1
229 1 25 PRO HA 1 25 PRO HB3 2.600 . 3.400 2.258 2.216 2.293 . 0 0 "[ . 1 . 2 .]" 1
230 1 25 PRO HA 1 26 LYS H 2.600 . 3.400 2.140 2.051 2.251 . 0 0 "[ . 1 . 2 .]" 1
231 1 25 PRO HB2 1 26 LYS H 3.200 . 4.500 3.582 3.088 4.188 . 0 0 "[ . 1 . 2 .]" 1
232 1 25 PRO HB3 1 26 LYS H 2.800 . 5.500 3.831 3.216 4.198 . 0 0 "[ . 1 . 2 .]" 1
233 1 26 LYS H 1 26 LYS HA 2.800 . 3.800 2.928 2.876 2.952 . 0 0 "[ . 1 . 2 .]" 1
234 1 26 LYS H 1 26 LYS HB2 3.100 . 4.300 2.779 2.360 3.928 . 0 0 "[ . 1 . 2 .]" 1
235 1 26 LYS H 1 26 LYS HB3 2.600 . 3.400 3.495 2.495 3.943 0.543 22 2 "[ . 1 - . 2 + .]" 1
236 1 26 LYS HA 1 26 LYS HB2 2.100 . 2.700 2.861 2.369 3.036 0.336 10 0 "[ . 1 . 2 .]" 1
237 1 26 LYS HA 1 26 LYS HB3 2.600 . 3.400 2.637 2.365 3.023 . 0 0 "[ . 1 . 2 .]" 1
238 1 26 LYS HA 1 26 LYS QG 2.700 . 3.600 2.484 2.202 3.302 . 0 0 "[ . 1 . 2 .]" 1
239 1 26 LYS HA 1 27 LEU H 2.400 . 3.100 2.352 2.122 3.253 0.153 21 0 "[ . 1 . 2 .]" 1
240 1 27 LEU H 1 27 LEU HB2 2.200 . 2.800 2.586 2.088 2.953 0.153 21 0 "[ . 1 . 2 .]" 1
241 1 27 LEU H 1 27 LEU HB3 2.800 . 3.800 2.627 2.290 3.218 . 0 0 "[ . 1 . 2 .]" 1
242 1 27 LEU H 1 28 ARG H 3.800 . 5.500 4.229 3.258 4.639 . 0 0 "[ . 1 . 2 .]" 1
243 1 27 LEU H 1 42 GLN O 1.950 . 2.200 3.243 1.859 4.941 2.741 13 15 "[ * *** ** -+**** * **.]" 1
244 1 27 LEU H 1 43 ASP HA 2.300 . 5.500 3.826 2.083 5.560 0.060 17 0 "[ . 1 . 2 .]" 1
245 1 27 LEU HA 1 27 LEU HB2 2.400 . 3.100 2.546 2.395 2.724 . 0 0 "[ . 1 . 2 .]" 1
246 1 27 LEU HA 1 27 LEU HB3 2.500 . 3.300 3.011 2.944 3.042 . 0 0 "[ . 1 . 2 .]" 1
247 1 27 LEU HA 1 27 LEU QD 2.600 . 4.500 2.335 1.744 3.114 0.156 3 0 "[ . 1 . 2 .]" 1
248 1 27 LEU HA 1 27 LEU QD 2.700 . 3.600 2.303 1.742 2.970 0.058 3 0 "[ . 1 . 2 .]" 1
249 1 27 LEU HA 1 28 ARG H 2.300 . 3.000 2.238 2.112 2.385 . 0 0 "[ . 1 . 2 .]" 1
250 1 27 LEU HB2 1 28 ARG H 2.600 . 5.500 4.408 3.990 4.691 . 0 0 "[ . 1 . 2 .]" 1
251 1 27 LEU HB3 1 28 ARG H 2.900 . 5.500 4.190 3.547 4.521 . 0 0 "[ . 1 . 2 .]" 1
252 1 27 LEU HB3 1 29 TYR QE 2.400 . 5.500 4.578 3.216 5.603 0.103 13 0 "[ . 1 . 2 .]" 1
253 1 27 LEU HB3 1 42 GLN H 2.900 . 5.500 4.034 3.128 5.489 . 0 0 "[ . 1 . 2 .]" 1
254 1 27 LEU HB3 1 42 GLN HB2 1.700 . 5.500 3.747 2.078 5.712 0.212 16 0 "[ . 1 . 2 .]" 1
255 1 27 LEU HB3 1 43 ASP H 2.900 . 5.500 5.187 3.700 5.676 0.176 8 0 "[ . 1 . 2 .]" 1
256 1 27 LEU QD 1 28 ARG H 2.500 . 3.300 2.775 1.726 3.331 0.031 21 0 "[ . 1 . 2 .]" 1
257 1 27 LEU QD 1 29 TYR QD 2.900 . 4.000 3.100 2.434 4.109 0.109 16 0 "[ . 1 . 2 .]" 1
258 1 27 LEU QD 1 42 GLN H 3.600 . 5.200 4.346 2.667 5.394 0.194 10 0 "[ . 1 . 2 .]" 1
259 1 27 LEU N 1 42 GLN O 2.950 2.700 3.200 3.813 2.761 5.577 2.377 13 12 "[ * *-* ** +**** 2 *.]" 1
260 1 27 LEU O 1 42 GLN H 1.950 . 2.200 2.392 1.693 4.024 1.824 16 8 "[ * . ** *+- 2* *]" 1
261 1 27 LEU O 1 42 GLN N 2.950 2.700 3.200 3.073 2.628 3.547 0.347 2 0 "[ . 1 . 2 .]" 1
262 1 28 ARG HA 1 29 TYR H 2.500 . 3.300 2.143 2.071 2.294 . 0 0 "[ . 1 . 2 .]" 1
263 1 28 ARG QB 1 29 TYR H 3.000 . 4.100 3.132 2.674 3.509 . 0 0 "[ . 1 . 2 .]" 1
264 1 29 TYR H 1 29 TYR QB 3.100 . 4.300 2.427 2.194 2.966 . 0 0 "[ . 1 . 2 .]" 1
265 1 29 TYR H 1 29 TYR QD 3.500 . 5.000 2.730 1.969 3.338 0.031 6 0 "[ . 1 . 2 .]" 1
266 1 29 TYR H 1 40 THR H 3.000 . 4.100 3.319 2.676 4.175 0.075 10 0 "[ . 1 . 2 .]" 1
267 1 29 TYR H 1 40 THR O 1.950 . 2.200 2.261 1.677 3.289 1.089 5 7 "[ + * ** .* - *]" 1
268 1 29 TYR QD 1 31 PHE QD 3.100 . 5.500 4.986 3.930 5.445 . 0 0 "[ . 1 . 2 .]" 1
269 1 29 TYR QD 1 31 PHE QE 2.200 . 5.500 3.284 1.939 3.829 . 0 0 "[ . 1 . 2 .]" 1
270 1 29 TYR QD 1 31 PHE HZ 2.700 . 3.600 2.806 1.848 3.479 . 0 0 "[ . 1 . 2 .]" 1
271 1 29 TYR QD 1 41 GLU HA 3.300 . 4.700 4.702 3.537 5.569 0.869 7 5 "[ . + 1 -. ** *.]" 1
272 1 29 TYR QE 1 31 PHE HZ 2.900 . 5.500 4.727 4.070 5.344 . 0 0 "[ . 1 . 2 .]" 1
273 1 29 TYR QE 1 42 GLN HB2 2.800 . 5.500 4.251 2.650 5.681 0.181 16 0 "[ . 1 . 2 .]" 1
274 1 29 TYR N 1 40 THR O 2.950 2.700 3.200 3.149 2.599 3.945 0.745 5 3 "[ + 1- .* 2 .]" 1
275 1 29 TYR O 1 40 THR H 1.950 . 2.200 2.428 1.926 3.488 1.288 25 4 "[ *.- 1 * . 2 +]" 1
276 1 29 TYR O 1 40 THR N 2.950 2.700 3.200 3.266 2.786 4.341 1.141 25 3 "[ *. 1 - . 2 +]" 1
277 1 30 VAL H 1 30 VAL HB 3.000 . 4.100 2.567 2.416 2.873 . 0 0 "[ . 1 . 2 .]" 1
278 1 30 VAL H 1 30 VAL QG 3.300 . 4.700 2.283 1.967 2.837 . 0 0 "[ . 1 . 2 .]" 1
279 1 30 VAL HA 1 30 VAL QG 2.400 . 3.100 2.102 1.996 2.297 . 0 0 "[ . 1 . 2 .]" 1
280 1 30 VAL HA 1 31 PHE H 2.600 . 3.400 2.126 2.049 2.210 . 0 0 "[ . 1 . 2 .]" 1
281 1 30 VAL HB 1 103 TRP HZ2 3.500 . 5.500 4.349 2.321 5.490 . 0 0 "[ . 1 . 2 .]" 1
282 1 30 VAL MG1 1 30 VAL MG2 2.100 . 2.700 2.027 1.862 2.102 . 0 0 "[ . 1 . 2 .]" 1
283 1 30 VAL QG 1 31 PHE H 2.900 . 4.000 2.781 2.092 3.255 . 0 0 "[ . 1 . 2 .]" 1
284 1 30 VAL QG 1 37 ILE MD 2.800 . 5.500 3.526 3.187 3.781 . 0 0 "[ . 1 . 2 .]" 1
285 1 30 VAL QG 1 37 ILE MG 2.100 . 2.700 2.220 1.917 2.692 . 0 0 "[ . 1 . 2 .]" 1
286 1 30 VAL QG 1 39 PHE QD 2.500 . 3.300 2.975 2.541 3.256 . 0 0 "[ . 1 . 2 .]" 1
287 1 30 VAL QG 1 86 PHE QD 3.100 . 5.500 4.928 4.174 5.420 . 0 0 "[ . 1 . 2 .]" 1
288 1 30 VAL QG 1 86 PHE QE 2.800 . 3.800 3.343 2.616 3.769 . 0 0 "[ . 1 . 2 .]" 1
289 1 30 VAL QG 1 103 TRP HH2 2.500 . 3.300 2.554 1.697 3.299 0.003 22 0 "[ . 1 . 2 .]" 1
290 1 30 VAL QG 1 103 TRP HZ3 2.400 . 3.100 2.565 1.964 3.292 0.192 25 0 "[ . 1 . 2 .]" 1
291 1 31 PHE H 1 31 PHE HB2 3.100 . 4.300 2.755 2.506 3.384 . 0 0 "[ . 1 . 2 .]" 1
292 1 31 PHE H 1 31 PHE HB3 3.200 . 4.500 3.781 3.683 3.880 . 0 0 "[ . 1 . 2 .]" 1
293 1 31 PHE H 1 31 PHE QD 3.400 . 4.800 2.979 2.158 3.462 . 0 0 "[ . 1 . 2 .]" 1
294 1 31 PHE H 1 38 MET H 5.500 . 5.500 3.696 3.065 4.407 . 0 0 "[ . 1 . 2 .]" 1
295 1 31 PHE H 1 38 MET O 1.950 . 2.200 2.154 1.671 3.710 1.510 17 3 "[ . - * + 2 .]" 1
296 1 31 PHE HA 1 31 PHE HB2 2.700 . 3.600 3.018 2.877 3.046 . 0 0 "[ . 1 . 2 .]" 1
297 1 31 PHE HA 1 31 PHE QB 2.600 . 3.400 2.316 2.175 2.409 . 0 0 "[ . 1 . 2 .]" 1
298 1 31 PHE HA 1 31 PHE HB3 2.800 . 3.800 2.406 2.251 2.529 . 0 0 "[ . 1 . 2 .]" 1
299 1 31 PHE HA 1 32 LEU H 2.600 . 3.400 2.227 2.149 2.285 . 0 0 "[ . 1 . 2 .]" 1
300 1 31 PHE HA 1 103 TRP HZ3 2.900 . 5.500 5.017 3.876 5.589 0.089 16 0 "[ . 1 . 2 .]" 1
301 1 31 PHE HB2 1 31 PHE QD 2.800 . 3.800 2.352 2.215 2.697 . 0 0 "[ . 1 . 2 .]" 1
302 1 31 PHE HB3 1 31 PHE QD 2.600 . 3.400 2.499 2.263 2.674 . 0 0 "[ . 1 . 2 .]" 1
303 1 31 PHE HB3 1 32 LEU H 3.800 . 5.500 3.536 3.173 3.850 . 0 0 "[ . 1 . 2 .]" 1
304 1 31 PHE QD 1 38 MET QB 3.300 . 4.700 3.209 1.888 4.279 0.012 16 0 "[ . 1 . 2 .]" 1
305 1 31 PHE QD 1 39 PHE HB3 2.600 . 5.500 5.363 4.122 6.282 0.782 25 2 "[ -. 1 . 2 +]" 1
306 1 31 PHE QD 1 40 THR MG 3.200 . 5.500 4.067 2.725 5.538 0.038 18 0 "[ . 1 . 2 .]" 1
307 1 31 PHE QE 1 38 MET QB 2.900 . 4.000 3.564 2.009 4.928 0.928 5 3 "[ + 1 -. 2 * .]" 1
308 1 31 PHE N 1 38 MET O 2.950 2.700 3.200 3.023 2.593 4.447 1.247 17 2 "[ . 1 - + 2 .]" 1
309 1 31 PHE O 1 38 MET H 1.950 . 2.200 1.939 1.607 2.402 0.202 23 0 "[ . 1 . 2 .]" 1
310 1 31 PHE O 1 38 MET N 2.950 2.700 3.200 2.748 2.504 3.148 0.196 2 0 "[ . 1 . 2 .]" 1
311 1 32 LEU H 1 32 LEU QB 2.800 . 3.800 2.854 2.345 3.225 . 0 0 "[ . 1 . 2 .]" 1
312 1 32 LEU H 1 32 LEU QD 3.400 . 4.800 2.985 2.118 3.890 . 0 0 "[ . 1 . 2 .]" 1
313 1 32 LEU H 1 103 TRP HZ3 3.400 . 4.800 4.194 2.643 4.872 0.072 17 0 "[ . 1 . 2 .]" 1
314 1 32 LEU HA 1 32 LEU QB 2.600 . 3.400 2.189 2.101 2.307 . 0 0 "[ . 1 . 2 .]" 1
315 1 32 LEU HA 1 32 LEU HG 2.300 . 5.500 3.515 3.242 3.638 . 0 0 "[ . 1 . 2 .]" 1
316 1 32 LEU HA 1 33 PHE H 2.400 . 3.100 2.135 2.032 2.189 . 0 0 "[ . 1 . 2 .]" 1
317 1 32 LEU QB 1 32 LEU MD1 2.100 . 2.700 2.059 1.915 2.379 . 0 0 "[ . 1 . 2 .]" 1
318 1 32 LEU QB 1 32 LEU QD 2.400 . 3.100 1.890 1.722 1.960 . 0 0 "[ . 1 . 2 .]" 1
319 1 32 LEU QB 1 32 LEU HG 2.300 . 3.000 2.384 2.264 2.547 . 0 0 "[ . 1 . 2 .]" 1
320 1 32 LEU QB 1 33 PHE H 2.700 . 3.600 3.216 2.724 3.601 0.001 23 0 "[ . 1 . 2 .]" 1
321 1 32 LEU QB 1 37 ILE HA 2.600 . 5.500 3.384 2.134 3.609 . 0 0 "[ . 1 . 2 .]" 1
322 1 32 LEU QB 1 38 MET H 3.300 . 5.500 4.739 3.642 5.131 . 0 0 "[ . 1 . 2 .]" 1
323 1 32 LEU QB 1 103 TRP HH2 3.000 . 5.500 4.440 1.398 4.957 . 0 0 "[ . 1 . 2 .]" 1
324 1 32 LEU QD 1 32 LEU HG 2.000 . 2.500 1.873 1.856 1.898 . 0 0 "[ . 1 . 2 .]" 1
325 1 32 LEU QD 1 57 ILE MG 2.600 . 5.500 4.745 4.212 5.382 . 0 0 "[ . 1 . 2 .]" 1
326 1 32 LEU QD 1 103 TRP HZ3 2.600 . 3.400 1.912 1.656 2.595 0.144 9 0 "[ . 1 . 2 .]" 1
327 1 32 LEU QD 1 107 ILE MG 2.400 . 5.500 4.777 3.359 5.562 0.062 12 0 "[ . 1 . 2 .]" 1
328 1 32 LEU MD1 1 103 TRP HE3 3.600 . 5.200 3.373 2.512 5.855 0.655 19 2 "[ . 1 . +2 - .]" 1
329 1 32 LEU HG 1 103 TRP HH2 2.800 . 3.800 2.737 2.384 3.766 . 0 0 "[ . 1 . 2 .]" 1
330 1 32 LEU HG 1 103 TRP HZ2 3.400 . 4.800 4.681 4.304 5.112 0.312 19 0 "[ . 1 . 2 .]" 1
331 1 33 PHE H 1 33 PHE HB2 3.600 . 5.200 2.647 2.359 2.819 . 0 0 "[ . 1 . 2 .]" 1
332 1 33 PHE H 1 33 PHE HB3 3.200 . 4.500 3.766 3.462 3.892 . 0 0 "[ . 1 . 2 .]" 1
333 1 33 PHE H 1 33 PHE QD 3.000 . 4.100 3.316 2.741 3.791 . 0 0 "[ . 1 . 2 .]" 1
334 1 33 PHE H 1 36 LYS H 2.900 . 4.000 3.635 3.255 4.155 0.155 24 0 "[ . 1 . 2 .]" 1
335 1 33 PHE H 1 36 LYS O 1.950 . 2.200 2.238 1.817 2.933 0.733 22 1 "[ . 1 . 2 + .]" 1
336 1 33 PHE HA 1 33 PHE QD 2.800 . 3.800 2.450 1.785 3.187 0.015 20 0 "[ . 1 . 2 .]" 1
337 1 33 PHE HB2 1 33 PHE QD 2.600 . 3.400 2.440 2.249 2.656 . 0 0 "[ . 1 . 2 .]" 1
338 1 33 PHE HB3 1 33 PHE QD 2.400 . 3.100 2.537 2.249 2.742 . 0 0 "[ . 1 . 2 .]" 1
339 1 33 PHE N 1 36 LYS O 2.950 2.700 3.200 3.117 2.765 3.596 0.396 22 0 "[ . 1 . 2 .]" 1
340 1 33 PHE O 1 36 LYS H 1.950 . 2.200 2.994 1.954 4.450 2.250 20 16 "[ * *****1- **.** *+* * *]" 1
341 1 33 PHE O 1 36 LYS N 2.950 2.700 3.200 3.643 2.930 4.829 1.629 20 11 "[ * -* 1 **.** +* * *]" 1
342 1 35 ASN HA 1 36 LYS H 1.700 . 5.500 3.258 2.475 3.583 . 0 0 "[ . 1 . 2 .]" 1
343 1 36 LYS H 1 36 LYS HB2 2.700 . 5.500 4.010 3.669 4.129 . 0 0 "[ . 1 . 2 .]" 1
344 1 36 LYS H 1 36 LYS HB3 2.800 . 3.800 3.456 2.942 3.592 . 0 0 "[ . 1 . 2 .]" 1
345 1 36 LYS H 1 36 LYS QE 3.500 . 5.000 4.684 4.001 5.169 0.169 6 0 "[ . 1 . 2 .]" 1
346 1 36 LYS H 1 36 LYS QG 2.400 . 3.100 2.697 1.878 3.069 . 0 0 "[ . 1 . 2 .]" 1
347 1 36 LYS HA 1 36 LYS HB2 2.400 . 3.100 2.435 2.382 2.497 . 0 0 "[ . 1 . 2 .]" 1
348 1 36 LYS HA 1 36 LYS HB3 2.400 . 3.100 2.455 2.378 2.524 . 0 0 "[ . 1 . 2 .]" 1
349 1 36 LYS HA 1 37 ILE H 2.600 . 3.400 2.472 2.198 2.951 . 0 0 "[ . 1 . 2 .]" 1
350 1 36 LYS HA 1 58 ARG HA 2.700 . 5.500 3.190 2.238 3.719 . 0 0 "[ . 1 . 2 .]" 1
351 1 36 LYS HA 1 59 LEU H 3.200 . 4.500 2.705 1.707 4.061 0.193 25 0 "[ . 1 . 2 .]" 1
352 1 36 LYS HB2 1 37 ILE H 3.100 . 5.500 2.232 1.791 2.686 . 0 0 "[ . 1 . 2 .]" 1
353 1 36 LYS HB3 1 37 ILE H 3.500 . 5.000 3.640 3.373 3.924 . 0 0 "[ . 1 . 2 .]" 1
354 1 36 LYS HB3 1 59 LEU HB2 1.700 . 5.500 4.700 3.256 5.576 0.076 5 0 "[ . 1 . 2 .]" 1
355 1 36 LYS QD 1 37 ILE H 3.100 . 4.300 3.684 2.984 4.250 . 0 0 "[ . 1 . 2 .]" 1
356 1 36 LYS HD2 1 57 ILE H 3.200 . 5.500 4.866 2.862 6.466 0.966 21 4 "[ . 1 - . ** 2+ .]" 1
357 1 36 LYS QG 1 37 ILE H 3.200 . 4.500 3.388 2.437 4.270 . 0 0 "[ . 1 . 2 .]" 1
358 1 37 ILE H 1 37 ILE HB 2.900 . 4.000 2.579 2.439 2.810 . 0 0 "[ . 1 . 2 .]" 1
359 1 37 ILE H 1 37 ILE MG 3.500 . 5.000 3.821 3.725 3.963 . 0 0 "[ . 1 . 2 .]" 1
360 1 37 ILE H 1 57 ILE H 3.200 . 4.500 3.339 2.272 4.018 . 0 0 "[ . 1 . 2 .]" 1
361 1 37 ILE H 1 57 ILE O 1.950 . 2.200 1.979 1.670 2.734 0.534 24 1 "[ . 1 . 2 +.]" 1
362 1 37 ILE HA 1 37 ILE MD 2.900 . 4.000 3.828 3.753 3.891 . 0 0 "[ . 1 . 2 .]" 1
363 1 37 ILE HA 1 37 ILE MG 2.700 . 3.600 2.435 2.205 2.587 . 0 0 "[ . 1 . 2 .]" 1
364 1 37 ILE HA 1 38 MET H 2.500 . 3.300 2.214 2.133 2.510 . 0 0 "[ . 1 . 2 .]" 1
365 1 37 ILE HB 1 37 ILE MD 2.200 . 2.800 2.436 2.324 2.541 . 0 0 "[ . 1 . 2 .]" 1
366 1 37 ILE HB 1 37 ILE MG 2.300 . 3.000 2.115 2.084 2.139 . 0 0 "[ . 1 . 2 .]" 1
367 1 37 ILE HB 1 57 ILE H 3.100 . 4.300 3.330 2.325 4.274 . 0 0 "[ . 1 . 2 .]" 1
368 1 37 ILE HB 1 57 ILE HB 2.700 . 3.600 2.018 1.657 3.484 0.143 17 0 "[ . 1 . 2 .]" 1
369 1 37 ILE HB 1 57 ILE MD 2.400 . 5.500 4.361 2.916 5.050 . 0 0 "[ . 1 . 2 .]" 1
370 1 37 ILE HB 1 59 LEU QD 2.900 . 4.000 3.755 2.881 4.025 0.025 13 0 "[ . 1 . 2 .]" 1
371 1 37 ILE MD 1 37 ILE MG 2.100 . 2.700 1.951 1.742 2.150 . 0 0 "[ . 1 . 2 .]" 1
372 1 37 ILE MD 1 59 LEU QB 2.700 . 5.500 4.582 3.410 5.500 . 0 0 "[ . 1 . 2 .]" 1
373 1 37 ILE MG 1 38 MET H 3.100 . 4.300 2.895 1.879 3.465 0.021 11 0 "[ . 1 . 2 .]" 1
374 1 37 ILE MG 1 86 PHE HZ 3.000 . 5.500 3.927 3.089 5.165 . 0 0 "[ . 1 . 2 .]" 1
375 1 37 ILE MG 1 103 TRP HH2 3.300 . 4.700 4.701 4.155 4.891 0.191 18 0 "[ . 1 . 2 .]" 1
376 1 37 ILE N 1 57 ILE O 2.950 2.700 3.200 2.909 2.635 3.600 0.400 24 0 "[ . 1 . 2 .]" 1
377 1 37 ILE O 1 57 ILE H 1.950 . 2.200 1.982 1.565 2.502 0.302 7 0 "[ . 1 . 2 .]" 1
378 1 37 ILE O 1 57 ILE N 2.950 2.700 3.200 2.894 2.532 3.455 0.255 7 0 "[ . 1 . 2 .]" 1
379 1 38 MET H 1 38 MET QB 3.200 . 4.500 2.450 2.163 3.258 . 0 0 "[ . 1 . 2 .]" 1
380 1 38 MET H 1 38 MET QG 3.400 . 4.800 3.385 2.079 4.114 . 0 0 "[ . 1 . 2 .]" 1
381 1 38 MET H 1 39 PHE H 3.600 . 5.200 4.201 3.251 4.616 . 0 0 "[ . 1 . 2 .]" 1
382 1 38 MET HA 1 38 MET QB 2.600 . 3.400 2.373 2.172 2.528 . 0 0 "[ . 1 . 2 .]" 1
383 1 38 MET HA 1 38 MET QG 2.800 . 3.800 2.571 2.235 3.341 . 0 0 "[ . 1 . 2 .]" 1
384 1 38 MET HA 1 39 PHE H 3.000 . 4.100 2.242 2.077 2.675 . 0 0 "[ . 1 . 2 .]" 1
385 1 38 MET HA 1 39 PHE QD 3.400 . 4.800 3.758 2.976 5.056 0.256 4 0 "[ . 1 . 2 .]" 1
386 1 38 MET HA 1 56 SER HA 2.400 . 3.100 2.824 1.859 4.393 1.293 7 2 "[ - . + 1 . 2 .]" 1
387 1 38 MET HA 1 57 ILE H 3.500 . 5.000 3.480 2.290 4.749 . 0 0 "[ . 1 . 2 .]" 1
388 1 38 MET QB 1 39 PHE H 3.100 . 4.300 3.552 2.320 3.989 . 0 0 "[ . 1 . 2 .]" 1
389 1 38 MET QB 1 39 PHE QD 3.800 . 5.500 4.793 3.908 5.293 . 0 0 "[ . 1 . 2 .]" 1
390 1 39 PHE H 1 39 PHE HB2 3.000 . 4.100 3.498 2.274 4.076 . 0 0 "[ . 1 . 2 .]" 1
391 1 39 PHE H 1 39 PHE HB3 3.100 . 4.300 3.140 2.557 3.510 . 0 0 "[ . 1 . 2 .]" 1
392 1 39 PHE H 1 39 PHE QD 3.600 . 5.200 2.598 1.873 4.218 0.127 17 0 "[ . 1 . 2 .]" 1
393 1 39 PHE H 1 56 SER HA 3.200 . 4.500 3.208 2.275 4.780 0.280 19 0 "[ . 1 . 2 .]" 1
394 1 39 PHE H 1 57 ILE H 3.500 . 5.000 4.284 3.723 4.999 . 0 0 "[ . 1 . 2 .]" 1
395 1 39 PHE H 1 57 ILE HB 5.500 . 5.500 5.358 4.563 5.607 0.107 3 0 "[ . 1 . 2 .]" 1
396 1 39 PHE HA 1 40 THR H 2.500 . 3.300 2.185 2.072 2.638 . 0 0 "[ . 1 . 2 .]" 1
397 1 39 PHE HB2 1 39 PHE QD 3.500 . 5.000 2.378 2.211 2.717 . 0 0 "[ . 1 . 2 .]" 1
398 1 39 PHE HB3 1 39 PHE QD 3.400 . 4.800 2.502 2.259 2.730 . 0 0 "[ . 1 . 2 .]" 1
399 1 39 PHE HB3 1 40 THR H 3.200 . 4.500 4.066 3.288 4.533 0.033 13 0 "[ . 1 . 2 .]" 1
400 1 39 PHE QD 1 40 THR H 3.300 . 4.700 4.234 2.759 4.821 0.121 14 0 "[ . 1 . 2 .]" 1
401 1 39 PHE QD 1 86 PHE QE 2.100 . 5.500 3.931 3.070 4.860 . 0 0 "[ . 1 . 2 .]" 1
402 1 39 PHE QE 1 41 GLU QG 2.300 . 5.500 3.789 2.298 5.432 . 0 0 "[ . 1 . 2 .]" 1
403 1 39 PHE QE 1 57 ILE MG 2.400 . 5.500 4.579 3.827 5.727 0.227 25 0 "[ . 1 . 2 .]" 1
404 1 39 PHE QE 1 76 LEU QD 3.000 . 5.500 4.202 3.269 4.836 . 0 0 "[ . 1 . 2 .]" 1
405 1 39 PHE QE 1 86 PHE HZ 2.900 . 4.000 3.423 2.212 3.903 . 0 0 "[ . 1 . 2 .]" 1
406 1 40 THR H 1 40 THR MG 3.800 . 5.500 2.970 1.949 3.970 0.051 25 0 "[ . 1 . 2 .]" 1
407 1 40 THR HA 1 40 THR HB 2.600 . 3.400 2.625 2.389 3.027 . 0 0 "[ . 1 . 2 .]" 1
408 1 40 THR HA 1 41 GLU H 3.000 . 4.100 2.180 2.070 2.623 . 0 0 "[ . 1 . 2 .]" 1
409 1 40 THR HB 1 40 THR MG 2.000 . 2.500 2.099 2.059 2.126 . 0 0 "[ . 1 . 2 .]" 1
410 1 40 THR HB 1 41 GLU H 2.900 . 4.000 3.501 2.129 4.227 0.227 25 0 "[ . 1 . 2 .]" 1
411 1 40 THR MG 1 41 GLU H 3.200 . 4.500 3.666 2.434 4.201 . 0 0 "[ . 1 . 2 .]" 1
412 1 40 THR MG 1 55 SER H 2.700 . 5.500 4.813 2.299 5.735 0.235 5 0 "[ . 1 . 2 .]" 1
413 1 41 GLU H 1 41 GLU HB2 3.300 . 4.700 2.865 2.060 3.782 . 0 0 "[ . 1 . 2 .]" 1
414 1 41 GLU H 1 41 GLU HB3 4.100 . 5.500 3.126 2.305 3.628 . 0 0 "[ . 1 . 2 .]" 1
415 1 41 GLU H 1 41 GLU QG 3.300 . 4.700 2.950 1.889 4.196 0.011 10 0 "[ . 1 . 2 .]" 1
416 1 41 GLU H 1 51 TYR QD 3.400 . 4.800 3.645 1.935 4.776 0.065 14 0 "[ . 1 . 2 .]" 1
417 1 41 GLU HA 1 41 GLU HB2 2.700 . 3.600 2.720 2.374 3.022 . 0 0 "[ . 1 . 2 .]" 1
418 1 41 GLU HA 1 41 GLU HB3 2.600 . 3.400 2.613 2.274 3.023 . 0 0 "[ . 1 . 2 .]" 1
419 1 41 GLU HA 1 42 GLN H 2.800 . 3.800 2.267 2.071 2.569 . 0 0 "[ . 1 . 2 .]" 1
420 1 41 GLU QB 1 42 GLN H 2.800 . 3.800 3.264 2.185 3.966 0.166 15 0 "[ . 1 . 2 .]" 1
421 1 41 GLU HB2 1 51 TYR HB2 2.100 . 5.500 4.192 1.784 5.777 0.277 13 0 "[ . 1 . 2 .]" 1
422 1 41 GLU HG2 1 42 GLN H 3.500 . 5.000 4.120 1.625 5.353 0.375 16 0 "[ . 1 . 2 .]" 1
423 1 42 GLN H 1 42 GLN HB3 4.600 . 5.500 3.274 2.417 3.950 . 0 0 "[ . 1 . 2 .]" 1
424 1 42 GLN QB 1 43 ASP H 3.000 . 4.100 3.533 1.976 4.009 . 0 0 "[ . 1 . 2 .]" 1
425 1 43 ASP H 1 43 ASP HA 2.500 . 3.300 2.920 2.876 2.954 . 0 0 "[ . 1 . 2 .]" 1
426 1 43 ASP H 1 43 ASP HB2 3.000 . 4.100 2.764 2.222 3.344 . 0 0 "[ . 1 . 2 .]" 1
427 1 43 ASP H 1 43 ASP HB3 2.800 . 3.800 2.802 2.513 3.662 . 0 0 "[ . 1 . 2 .]" 1
428 1 43 ASP H 1 44 ALA H 5.500 . 5.500 4.136 3.363 4.609 . 0 0 "[ . 1 . 2 .]" 1
429 1 43 ASP H 1 50 SER H 3.200 . 4.500 4.107 2.198 5.075 0.575 13 1 "[ . 1 + . 2 .]" 1
430 1 43 ASP HA 1 50 SER H 3.000 . 5.500 5.254 3.332 5.733 0.233 8 0 "[ . 1 . 2 .]" 1
431 1 43 ASP HB2 1 50 SER H 3.300 . 4.700 3.763 2.106 5.590 0.890 15 1 "[ . 1 + 2 .]" 1
432 1 44 ALA H 1 44 ALA MB 3.100 . 4.300 2.624 2.054 3.045 . 0 0 "[ . 1 . 2 .]" 1
433 1 44 ALA HA 1 44 ALA MB 2.200 . 2.800 2.103 2.072 2.130 . 0 0 "[ . 1 . 2 .]" 1
434 1 44 ALA HA 1 45 SER H 3.000 . 4.100 2.868 2.126 3.557 . 0 0 "[ . 1 . 2 .]" 1
435 1 44 ALA MB 1 45 SER H 3.200 . 4.500 2.848 1.805 3.681 0.095 4 0 "[ . 1 . 2 .]" 1
436 1 44 ALA MB 1 46 THR H 3.800 . 5.500 4.546 2.880 5.670 0.170 24 0 "[ . 1 . 2 .]" 1
437 1 45 SER H 1 45 SER HA 3.000 . 4.100 2.691 2.236 2.946 . 0 0 "[ . 1 . 2 .]" 1
438 1 45 SER H 1 45 SER QB 2.900 . 4.000 2.862 2.337 3.418 . 0 0 "[ . 1 . 2 .]" 1
439 1 45 SER H 1 46 THR H 2.900 . 4.000 3.412 2.075 4.350 0.350 24 0 "[ . 1 . 2 .]" 1
440 1 45 SER HA 1 45 SER HB2 2.100 . 2.700 2.804 2.434 3.036 0.336 13 0 "[ . 1 . 2 .]" 1
441 1 45 SER HA 1 45 SER HB3 2.300 . 5.500 2.609 2.334 3.035 . 0 0 "[ . 1 . 2 .]" 1
442 1 45 SER HA 1 46 THR H 2.800 . 3.800 2.863 2.078 3.595 . 0 0 "[ . 1 . 2 .]" 1
443 1 45 SER QB 1 46 THR H 3.000 . 4.100 2.989 1.774 4.011 0.126 22 0 "[ . 1 . 2 .]" 1
444 1 46 THR H 1 46 THR HA 2.400 . 3.100 2.631 2.223 2.946 . 0 0 "[ . 1 . 2 .]" 1
445 1 46 THR H 1 46 THR MG 2.500 . 3.300 2.995 2.521 3.539 0.239 9 0 "[ . 1 . 2 .]" 1
446 1 46 THR HA 1 46 THR HB 2.100 . 2.700 2.592 2.444 2.920 0.220 23 0 "[ . 1 . 2 .]" 1
447 1 46 THR HA 1 46 THR MG 2.200 . 2.800 2.264 1.928 2.416 . 0 0 "[ . 1 . 2 .]" 1
448 1 46 THR HA 1 47 SER H 3.200 . 4.500 3.000 2.084 3.613 . 0 0 "[ . 1 . 2 .]" 1
449 1 46 THR HB 1 46 THR MG 1.900 . 2.400 2.096 2.057 2.127 . 0 0 "[ . 1 . 2 .]" 1
450 1 46 THR HB 1 47 SER H 3.200 . 4.500 3.159 1.787 4.413 0.113 11 0 "[ . 1 . 2 .]" 1
451 1 49 PRO QD 1 50 SER H 2.300 . 5.500 3.430 1.700 4.791 . 0 0 "[ . 1 . 2 .]" 1
452 1 49 PRO HG2 1 50 SER H 2.700 . 3.600 3.619 2.604 3.999 0.399 12 0 "[ . 1 . 2 .]" 1
453 1 50 SER H 1 50 SER HA 2.500 . 3.300 2.520 2.175 2.947 . 0 0 "[ . 1 . 2 .]" 1
454 1 50 SER H 1 50 SER QB 2.600 . 3.400 2.984 2.510 3.470 0.070 13 0 "[ . 1 . 2 .]" 1
455 1 50 SER H 1 51 TYR H 5.500 . 5.500 3.747 2.608 4.677 . 0 0 "[ . 1 . 2 .]" 1
456 1 50 SER HA 1 50 SER QB 2.300 . 3.000 2.317 2.169 2.474 . 0 0 "[ . 1 . 2 .]" 1
457 1 50 SER QB 1 51 TYR H 2.900 . 4.000 3.202 1.778 3.949 0.022 18 0 "[ . 1 . 2 .]" 1
458 1 51 TYR H 1 51 TYR HB2 3.300 . 4.700 3.144 2.437 4.028 . 0 0 "[ . 1 . 2 .]" 1
459 1 51 TYR H 1 51 TYR HB3 3.700 . 5.400 3.082 2.413 3.973 . 0 0 "[ . 1 . 2 .]" 1
460 1 51 TYR HB2 1 51 TYR QD 2.400 . 3.100 2.514 2.235 2.764 . 0 0 "[ . 1 . 2 .]" 1
461 1 51 TYR HB3 1 51 TYR QD 2.700 . 3.600 2.438 2.245 2.751 . 0 0 "[ . 1 . 2 .]" 1
462 1 51 TYR QD 1 55 SER H 3.000 . 5.500 4.811 2.739 5.695 0.195 23 0 "[ . 1 . 2 .]" 1
463 1 51 TYR QE 1 54 TYR QE 1.900 . 5.500 4.261 2.363 5.637 0.137 12 0 "[ . 1 . 2 .]" 1
464 1 54 TYR HA 1 54 TYR QD 2.600 . 3.400 2.792 1.945 3.617 0.217 12 0 "[ . 1 . 2 .]" 1
465 1 54 TYR HB2 1 54 TYR QD 2.500 . 3.300 2.504 2.249 2.728 . 0 0 "[ . 1 . 2 .]" 1
466 1 54 TYR HB3 1 54 TYR QD 2.700 . 3.600 2.395 2.234 2.698 . 0 0 "[ . 1 . 2 .]" 1
467 1 56 SER HA 1 56 SER HB2 2.600 . 3.400 2.739 2.409 3.040 . 0 0 "[ . 1 . 2 .]" 1
468 1 56 SER HA 1 56 SER HB3 2.600 . 3.400 2.641 2.334 3.038 . 0 0 "[ . 1 . 2 .]" 1
469 1 56 SER HA 1 57 ILE H 2.900 . 4.000 2.223 2.085 2.413 . 0 0 "[ . 1 . 2 .]" 1
470 1 56 SER HB2 1 57 ILE H 3.800 . 5.500 3.805 2.377 4.363 . 0 0 "[ . 1 . 2 .]" 1
471 1 56 SER HB3 1 57 ILE H 3.900 . 5.500 3.561 2.362 4.245 . 0 0 "[ . 1 . 2 .]" 1
472 1 57 ILE H 1 57 ILE MD 3.700 . 5.400 4.140 3.750 4.571 . 0 0 "[ . 1 . 2 .]" 1
473 1 57 ILE H 1 57 ILE MG 3.900 . 5.500 3.671 2.431 3.828 . 0 0 "[ . 1 . 2 .]" 1
474 1 57 ILE H 1 58 ARG H 4.500 . 5.500 4.358 3.865 4.579 . 0 0 "[ . 1 . 2 .]" 1
475 1 57 ILE HA 1 57 ILE HB 2.500 . 3.300 2.985 2.573 3.037 . 0 0 "[ . 1 . 2 .]" 1
476 1 57 ILE HA 1 57 ILE MD 2.700 . 3.600 2.536 1.822 3.724 0.124 24 0 "[ . 1 . 2 .]" 1
477 1 57 ILE HA 1 57 ILE MG 2.400 . 3.100 2.605 2.380 3.165 0.065 24 0 "[ . 1 . 2 .]" 1
478 1 57 ILE HA 1 58 ARG H 2.300 . 3.000 2.231 2.063 2.497 . 0 0 "[ . 1 . 2 .]" 1
479 1 57 ILE HB 1 57 ILE MD 2.800 . 3.800 3.021 2.446 3.243 . 0 0 "[ . 1 . 2 .]" 1
480 1 57 ILE HB 1 57 ILE MG 2.100 . 2.700 2.104 2.077 2.133 . 0 0 "[ . 1 . 2 .]" 1
481 1 57 ILE MD 1 57 ILE MG 2.400 . 3.100 1.905 1.627 2.238 0.073 22 0 "[ . 1 . 2 .]" 1
482 1 57 ILE MD 1 58 ARG H 3.700 . 5.400 3.603 1.959 5.201 0.041 4 0 "[ . 1 . 2 .]" 1
483 1 57 ILE MD 1 62 TYR QD 3.300 . 4.700 4.401 3.956 4.641 . 0 0 "[ . 1 . 2 .]" 1
484 1 57 ILE MD 1 76 LEU QD 2.200 . 2.800 2.424 1.812 2.996 0.196 15 0 "[ . 1 . 2 .]" 1
485 1 57 ILE MD 1 83 LEU QD 2.300 . 3.000 2.257 1.790 2.712 . 0 0 "[ . 1 . 2 .]" 1
486 1 57 ILE MD 1 86 PHE QD 2.800 . 3.800 3.314 2.166 3.721 . 0 0 "[ . 1 . 2 .]" 1
487 1 57 ILE MD 1 86 PHE QE 2.800 . 3.800 2.813 1.895 3.847 0.047 16 0 "[ . 1 . 2 .]" 1
488 1 57 ILE MG 1 59 LEU HB2 2.300 . 5.500 5.048 3.615 5.695 0.195 20 0 "[ . 1 . 2 .]" 1
489 1 57 ILE MG 1 62 TYR QD 2.600 . 5.500 3.333 2.379 4.180 . 0 0 "[ . 1 . 2 .]" 1
490 1 58 ARG H 1 58 ARG QB 2.300 . 3.000 2.552 2.082 3.024 0.024 16 0 "[ . 1 . 2 .]" 1
491 1 58 ARG H 1 58 ARG QG 3.000 . 4.100 3.113 2.058 4.091 . 0 0 "[ . 1 . 2 .]" 1
492 1 58 ARG H 1 62 TYR QD 3.400 . 5.500 4.992 3.566 5.652 0.152 10 0 "[ . 1 . 2 .]" 1
493 1 58 ARG H 1 83 LEU QD 3.200 . 4.500 3.130 1.883 4.330 0.017 13 0 "[ . 1 . 2 .]" 1
494 1 58 ARG HA 1 58 ARG QB 2.200 . 2.800 2.262 2.161 2.527 . 0 0 "[ . 1 . 2 .]" 1
495 1 58 ARG HA 1 58 ARG QG 2.500 . 5.500 3.122 2.071 3.475 . 0 0 "[ . 1 . 2 .]" 1
496 1 58 ARG HA 1 59 LEU H 2.500 . 3.300 2.208 2.019 2.531 . 0 0 "[ . 1 . 2 .]" 1
497 1 58 ARG HA 1 60 ASP QB 2.900 . 5.500 4.846 4.354 5.363 . 0 0 "[ . 1 . 2 .]" 1
498 1 58 ARG HB2 1 58 ARG HG2 2.200 . 2.800 2.114 1.977 2.310 . 0 0 "[ . 1 . 2 .]" 1
499 1 58 ARG QB 1 58 ARG HD2 2.800 . 3.800 2.452 2.031 2.947 . 0 0 "[ . 1 . 2 .]" 1
500 1 58 ARG QB 1 59 LEU H 2.700 . 3.600 3.134 2.298 3.716 0.116 18 0 "[ . 1 . 2 .]" 1
501 1 58 ARG QB 1 60 ASP H 2.600 . 3.400 3.067 2.400 3.454 0.054 20 0 "[ . 1 . 2 .]" 1
502 1 58 ARG QB 1 61 LYS H 2.900 . 5.500 3.947 2.719 4.875 . 0 0 "[ . 1 . 2 .]" 1
503 1 58 ARG QD 1 62 TYR QB 2.200 . 5.500 4.246 2.793 5.433 . 0 0 "[ . 1 . 2 .]" 1
504 1 58 ARG QG 1 59 LEU H 3.400 . 4.800 3.567 2.710 4.300 . 0 0 "[ . 1 . 2 .]" 1
505 1 58 ARG QG 1 60 ASP H 2.800 . 3.800 2.827 1.928 3.745 . 0 0 "[ . 1 . 2 .]" 1
506 1 58 ARG QG 1 61 LYS H 3.700 . 5.400 2.940 1.878 4.720 0.122 7 0 "[ . 1 . 2 .]" 1
507 1 59 LEU H 1 59 LEU HB2 2.800 . 3.800 2.364 1.962 3.082 . 0 0 "[ . 1 . 2 .]" 1
508 1 59 LEU H 1 59 LEU QD 3.400 . 4.800 3.067 2.016 3.995 . 0 0 "[ . 1 . 2 .]" 1
509 1 59 LEU H 1 59 LEU HG 3.600 . 5.200 3.939 1.955 4.675 0.045 8 0 "[ . 1 . 2 .]" 1
510 1 59 LEU H 1 60 ASP H 2.400 . 3.100 2.681 1.902 3.217 0.117 16 0 "[ . 1 . 2 .]" 1
511 1 59 LEU H 1 62 TYR QD 4.400 . 5.500 4.618 3.612 5.453 . 0 0 "[ . 1 . 2 .]" 1
512 1 59 LEU HA 1 59 LEU HB2 2.400 . 3.100 2.830 2.509 3.017 . 0 0 "[ . 1 . 2 .]" 1
513 1 59 LEU HA 1 59 LEU QB 2.500 . 3.300 2.446 2.285 2.508 . 0 0 "[ . 1 . 2 .]" 1
514 1 59 LEU HA 1 59 LEU QD 2.200 . 2.800 2.186 1.502 2.820 0.098 23 0 "[ . 1 . 2 .]" 1
515 1 59 LEU HA 1 59 LEU HG 2.300 . 3.000 2.858 2.360 3.538 0.538 20 2 "[ . - 1 . + .]" 1
516 1 59 LEU HA 1 60 ASP H 3.200 . 4.500 3.123 2.617 3.536 . 0 0 "[ . 1 . 2 .]" 1
517 1 59 LEU HA 1 61 LYS H 3.700 . 5.400 4.697 3.922 5.691 0.291 21 0 "[ . 1 . 2 .]" 1
518 1 59 LEU HA 1 62 TYR QD 2.500 . 3.300 2.437 1.778 3.380 0.080 15 0 "[ . 1 . 2 .]" 1
519 1 59 LEU QB 1 59 LEU HG 2.200 . 2.800 2.355 2.127 2.473 . 0 0 "[ . 1 . 2 .]" 1
520 1 59 LEU HB2 1 59 LEU QD 2.300 . 3.000 2.134 1.994 2.379 . 0 0 "[ . 1 . 2 .]" 1
521 1 59 LEU HB3 1 59 LEU QD 2.500 . 3.300 2.206 2.070 2.568 . 0 0 "[ . 1 . 2 .]" 1
522 1 59 LEU HB3 1 60 ASP H 2.900 . 4.000 3.809 2.122 4.451 0.451 10 0 "[ . 1 . 2 .]" 1
523 1 59 LEU QD 1 62 TYR H 3.200 . 5.500 5.342 4.183 5.654 0.154 24 0 "[ . 1 . 2 .]" 1
524 1 59 LEU HG 1 60 ASP H 3.900 . 5.500 4.942 4.054 5.389 . 0 0 "[ . 1 . 2 .]" 1
525 1 59 LEU HG 1 110 GLU HB3 3.100 . 4.300 4.076 2.616 5.131 0.831 10 3 "[ * . + . 2 -.]" 1
526 1 60 ASP H 1 60 ASP HA 2.700 . 3.600 2.814 2.480 2.950 . 0 0 "[ . 1 . 2 .]" 1
527 1 60 ASP H 1 60 ASP QB 2.800 . 3.800 2.363 2.143 2.701 . 0 0 "[ . 1 . 2 .]" 1
528 1 60 ASP H 1 61 LYS H 2.700 . 3.600 2.820 2.013 3.834 0.234 20 0 "[ . 1 . 2 .]" 1
529 1 60 ASP HA 1 60 ASP QB 2.400 . 2.800 2.370 2.291 2.454 . 0 0 "[ . 1 . 2 .]" 1
530 1 60 ASP QB 1 61 LYS H 3.200 . 4.500 2.282 1.724 2.846 0.176 21 0 "[ . 1 . 2 .]" 1
531 1 60 ASP QB 1 61 LYS QG 2.600 . 5.500 3.475 2.387 5.193 . 0 0 "[ . 1 . 2 .]" 1
532 1 61 LYS H 1 61 LYS HA 2.600 . 3.400 2.926 2.885 2.945 . 0 0 "[ . 1 . 2 .]" 1
533 1 61 LYS H 1 61 LYS QB 2.500 . 3.300 2.564 2.260 2.761 . 0 0 "[ . 1 . 2 .]" 1
534 1 61 LYS H 1 61 LYS QG 2.700 . 5.500 3.290 2.573 4.198 . 0 0 "[ . 1 . 2 .]" 1
535 1 61 LYS H 1 62 TYR H 2.400 . 5.500 3.290 2.210 4.123 . 0 0 "[ . 1 . 2 .]" 1
536 1 61 LYS H 1 62 TYR QD 3.100 . 5.500 3.920 3.041 4.645 . 0 0 "[ . 1 . 2 .]" 1
537 1 61 LYS HA 1 61 LYS QB 2.300 . 3.000 2.413 2.326 2.510 . 0 0 "[ . 1 . 2 .]" 1
538 1 61 LYS HA 1 61 LYS QG 2.000 . 2.500 2.410 2.182 2.708 0.208 9 0 "[ . 1 . 2 .]" 1
539 1 61 LYS HA 1 62 TYR H 2.800 . 3.800 2.531 2.059 3.389 . 0 0 "[ . 1 . 2 .]" 1
540 1 61 LYS QB 1 61 LYS HG2 1.900 . 2.400 2.123 2.110 2.147 . 0 0 "[ . 1 . 2 .]" 1
541 1 61 LYS QB 1 62 TYR H 3.000 . 4.100 3.834 3.462 4.067 . 0 0 "[ . 1 . 2 .]" 1
542 1 61 LYS QB 1 62 TYR QD 2.500 . 5.500 5.257 4.029 5.661 0.161 11 0 "[ . 1 . 2 .]" 1
543 1 61 LYS QB 1 62 TYR QD 2.200 . 5.500 4.602 3.913 4.900 . 0 0 "[ . 1 . 2 .]" 1
544 1 61 LYS HG3 1 79 GLN H 4.700 . 5.500 4.020 2.627 4.805 . 0 0 "[ . 1 . 2 .]" 1
545 1 62 TYR H 1 62 TYR HA 2.700 . 3.600 2.911 2.847 2.956 . 0 0 "[ . 1 . 2 .]" 1
546 1 62 TYR H 1 62 TYR QB 2.500 . 3.300 2.903 2.287 3.168 . 0 0 "[ . 1 . 2 .]" 1
547 1 62 TYR H 1 62 TYR QD 2.700 . 3.600 2.718 1.934 3.824 0.224 15 0 "[ . 1 . 2 .]" 1
548 1 62 TYR H 1 63 ASN H 3.300 . 4.700 4.368 4.215 4.548 . 0 0 "[ . 1 . 2 .]" 1
549 1 62 TYR H 1 79 GLN QG 3.600 . 5.200 4.130 3.553 5.207 0.007 14 0 "[ . 1 . 2 .]" 1
550 1 62 TYR H 1 83 LEU QD 3.500 . 5.500 5.087 4.356 5.676 0.176 4 0 "[ . 1 . 2 .]" 1
551 1 62 TYR HA 1 62 TYR QB 2.200 . 2.800 2.189 2.144 2.533 . 0 0 "[ . 1 . 2 .]" 1
552 1 62 TYR HA 1 62 TYR QD 2.800 . 3.800 3.645 2.334 3.767 . 0 0 "[ . 1 . 2 .]" 1
553 1 62 TYR HA 1 63 ASN H 2.800 . 3.800 2.295 2.132 2.524 . 0 0 "[ . 1 . 2 .]" 1
554 1 62 TYR HA 1 78 PRO HA 2.300 . 5.500 3.715 2.097 5.591 0.091 19 0 "[ . 1 . 2 .]" 1
555 1 62 TYR HA 1 79 GLN H 2.700 . 3.600 3.185 2.332 4.100 0.500 9 1 "[ . +1 . 2 .]" 1
556 1 62 TYR QB 1 62 TYR QD 2.400 . 3.100 2.132 2.117 2.150 . 0 0 "[ . 1 . 2 .]" 1
557 1 62 TYR QB 1 63 ASN H 3.300 . 4.700 2.922 2.445 3.343 . 0 0 "[ . 1 . 2 .]" 1
558 1 62 TYR QD 1 63 ASN H 3.100 . 4.300 3.466 2.731 4.110 . 0 0 "[ . 1 . 2 .]" 1
559 1 62 TYR QD 1 63 ASN HA 2.700 . 5.500 4.354 3.475 5.145 . 0 0 "[ . 1 . 2 .]" 1
560 1 62 TYR QD 1 64 ILE HB 2.700 . 3.600 3.054 2.209 3.545 . 0 0 "[ . 1 . 2 .]" 1
561 1 62 TYR QD 1 76 LEU HB3 2.600 . 3.400 3.022 2.534 3.857 0.457 18 0 "[ . 1 . 2 .]" 1
562 1 62 TYR QD 1 77 GLN H 3.000 . 5.500 3.851 2.795 4.252 . 0 0 "[ . 1 . 2 .]" 1
563 1 62 TYR QE 1 64 ILE HB 3.200 . 5.500 1.822 1.299 3.667 . 0 0 "[ . 1 . 2 .]" 1
564 1 62 TYR QE 1 64 ILE MD 2.600 . 3.400 2.494 1.770 3.644 0.244 22 0 "[ . 1 . 2 .]" 1
565 1 62 TYR QE 1 76 LEU HB3 2.900 . 4.000 3.388 1.627 4.110 0.173 15 0 "[ . 1 . 2 .]" 1
566 1 63 ASN H 1 63 ASN HA 2.700 . 3.600 2.931 2.902 2.963 . 0 0 "[ . 1 . 2 .]" 1
567 1 63 ASN H 1 63 ASN QB 2.400 . 3.100 2.416 2.328 2.634 . 0 0 "[ . 1 . 2 .]" 1
568 1 63 ASN H 1 64 ILE H 3.100 . 5.500 4.262 3.451 4.502 . 0 0 "[ . 1 . 2 .]" 1
569 1 63 ASN H 1 77 GLN H 2.900 . 4.000 3.602 3.197 3.908 . 0 0 "[ . 1 . 2 .]" 1
570 1 63 ASN H 1 77 GLN QB 2.700 . 5.500 3.723 2.269 4.389 . 0 0 "[ . 1 . 2 .]" 1
571 1 63 ASN H 1 77 GLN O 1.950 . 2.200 2.208 1.681 4.616 2.416 9 3 "[ . -+1 . *2 .]" 1
572 1 63 ASN H 1 79 GLN H 3.800 . 5.500 3.799 2.720 5.280 . 0 0 "[ . 1 . 2 .]" 1
573 1 63 ASN HA 1 63 ASN QB 2.100 . 2.700 2.388 2.318 2.463 . 0 0 "[ . 1 . 2 .]" 1
574 1 63 ASN HA 1 64 ILE H 2.100 . 2.700 2.154 2.093 2.270 . 0 0 "[ . 1 . 2 .]" 1
575 1 63 ASN HA 1 77 GLN H 5.500 . 5.500 4.728 4.317 5.048 . 0 0 "[ . 1 . 2 .]" 1
576 1 63 ASN QB 1 64 ILE H 2.600 . 5.500 3.673 2.965 3.921 . 0 0 "[ . 1 . 2 .]" 1
577 1 63 ASN QB 1 77 GLN QB 2.200 . 2.800 2.200 1.479 2.784 0.121 5 0 "[ . 1 . 2 .]" 1
578 1 63 ASN QB 1 77 GLN QB 2.200 . 5.500 2.098 1.479 2.764 . 0 0 "[ . 1 . 2 .]" 1
579 1 63 ASN QB 1 79 GLN H 3.400 . 4.800 4.409 3.203 5.598 0.798 5 2 "[ + -1 . 2 .]" 1
580 1 63 ASN N 1 77 GLN O 2.950 2.700 3.200 3.083 2.635 5.519 2.319 9 2 "[ . +1 . -2 .]" 1
581 1 63 ASN O 1 77 GLN H 1.950 . 2.200 1.752 1.598 2.231 0.102 18 0 "[ . 1 . 2 .]" 1
582 1 63 ASN O 1 77 GLN N 2.950 2.700 3.200 2.681 2.563 3.065 0.137 18 0 "[ . 1 . 2 .]" 1
583 1 64 ILE H 1 64 ILE HB 2.600 . 3.400 2.909 2.675 3.271 . 0 0 "[ . 1 . 2 .]" 1
584 1 64 ILE H 1 64 ILE MD 3.500 . 5.000 4.435 4.096 4.776 . 0 0 "[ . 1 . 2 .]" 1
585 1 64 ILE H 1 64 ILE QG 3.000 . 4.100 4.106 3.963 4.321 0.221 25 0 "[ . 1 . 2 .]" 1
586 1 64 ILE H 1 64 ILE MG 2.500 . 3.300 2.193 1.897 2.489 . 0 0 "[ . 1 . 2 .]" 1
587 1 64 ILE H 1 65 ARG H 3.400 . 4.800 4.434 4.233 4.557 . 0 0 "[ . 1 . 2 .]" 1
588 1 64 ILE HA 1 64 ILE HB 2.700 . 3.600 2.476 2.385 2.556 . 0 0 "[ . 1 . 2 .]" 1
589 1 64 ILE HA 1 64 ILE MD 2.700 . 3.600 3.202 1.882 3.724 0.124 11 0 "[ . 1 . 2 .]" 1
590 1 64 ILE HA 1 64 ILE QG 2.600 . 3.400 2.408 2.188 2.863 . 0 0 "[ . 1 . 2 .]" 1
591 1 64 ILE HA 1 64 ILE MG 2.600 . 3.400 3.205 3.183 3.239 . 0 0 "[ . 1 . 2 .]" 1
592 1 64 ILE HA 1 65 ARG H 2.300 . 3.000 2.157 2.069 2.233 . 0 0 "[ . 1 . 2 .]" 1
593 1 64 ILE HA 1 76 LEU HA 2.500 . 3.300 2.219 1.761 2.689 . 0 0 "[ . 1 . 2 .]" 1
594 1 64 ILE HB 1 64 ILE MG 2.100 . 2.700 2.098 2.033 2.129 . 0 0 "[ . 1 . 2 .]" 1
595 1 64 ILE MD 1 64 ILE QG 1.800 . 2.200 1.863 1.803 1.897 . 0 0 "[ . 1 . 2 .]" 1
596 1 64 ILE MD 1 65 ARG H 5.500 . 5.500 3.428 2.068 4.542 . 0 0 "[ . 1 . 2 .]" 1
597 1 64 ILE MD 1 75 VAL HA 2.800 . 5.500 5.007 3.990 5.559 0.059 6 0 "[ . 1 . 2 .]" 1
598 1 64 ILE QG 1 64 ILE MG 1.900 . 2.400 2.238 2.024 2.499 0.099 6 0 "[ . 1 . 2 .]" 1
599 1 64 ILE QG 1 77 GLN H 2.900 . 4.000 3.852 3.230 4.258 0.258 2 0 "[ . 1 . 2 .]" 1
600 1 64 ILE QG 1 74 ILE MG 2.100 . 2.700 2.586 2.290 2.926 0.226 17 0 "[ . 1 . 2 .]" 1
601 1 64 ILE QG 1 75 VAL H 3.100 . 4.300 3.824 3.178 4.228 . 0 0 "[ . 1 . 2 .]" 1
602 1 64 ILE MG 1 65 ARG H 2.400 . 5.500 3.821 3.476 4.230 . 0 0 "[ . 1 . 2 .]" 1
603 1 64 ILE MG 1 76 LEU HA 3.000 . 5.500 4.812 4.323 5.361 . 0 0 "[ . 1 . 2 .]" 1
604 1 64 ILE MG 1 76 LEU QD 2.200 . 5.500 4.548 3.852 5.120 . 0 0 "[ . 1 . 2 .]" 1
605 1 65 ARG H 1 65 ARG HB2 3.600 . 5.200 2.815 2.549 3.817 . 0 0 "[ . 1 . 2 .]" 1
606 1 65 ARG H 1 65 ARG HB3 2.700 . 5.500 3.811 3.552 3.910 . 0 0 "[ . 1 . 2 .]" 1
607 1 65 ARG H 1 65 ARG QD 3.300 . 4.700 4.038 3.313 4.754 0.054 18 0 "[ . 1 . 2 .]" 1
608 1 65 ARG H 1 65 ARG QG 2.600 . 3.400 2.866 2.103 3.280 . 0 0 "[ . 1 . 2 .]" 1
609 1 65 ARG H 1 75 VAL H 2.900 . 4.000 3.300 2.978 3.625 . 0 0 "[ . 1 . 2 .]" 1
610 1 65 ARG H 1 75 VAL QG 3.000 . 5.500 3.095 2.414 3.925 . 0 0 "[ . 1 . 2 .]" 1
611 1 65 ARG H 1 75 VAL O 1.950 . 2.200 1.793 1.637 2.009 0.063 3 0 "[ . 1 . 2 .]" 1
612 1 65 ARG H 1 76 LEU HA 3.300 . 4.700 3.212 2.312 3.603 . 0 0 "[ . 1 . 2 .]" 1
613 1 65 ARG H 1 77 GLN H 2.900 . 5.500 4.223 3.695 4.833 . 0 0 "[ . 1 . 2 .]" 1
614 1 65 ARG HA 1 65 ARG HB2 2.300 . 3.000 2.993 2.565 3.031 0.031 19 0 "[ . 1 . 2 .]" 1
615 1 65 ARG HA 1 65 ARG HB3 2.200 . 2.800 2.430 2.285 2.548 . 0 0 "[ . 1 . 2 .]" 1
616 1 65 ARG HA 1 65 ARG QG 2.700 . 3.600 2.910 2.425 3.325 . 0 0 "[ . 1 . 2 .]" 1
617 1 65 ARG HA 1 66 GLN H 2.200 . 2.800 2.499 2.127 2.928 0.128 20 0 "[ . 1 . 2 .]" 1
618 1 65 ARG HA 1 75 VAL QG 2.600 . 5.500 4.432 3.760 5.298 . 0 0 "[ . 1 . 2 .]" 1
619 1 65 ARG HB2 1 65 ARG QG 1.900 . 2.400 2.218 2.146 2.511 0.111 10 0 "[ . 1 . 2 .]" 1
620 1 65 ARG HB2 1 66 GLN H 2.800 . 3.800 3.289 2.618 4.048 0.248 2 0 "[ . 1 . 2 .]" 1
621 1 65 ARG HB3 1 65 ARG QG 2.100 . 2.700 2.340 2.172 2.424 . 0 0 "[ . 1 . 2 .]" 1
622 1 65 ARG HB3 1 66 GLN H 2.300 . 3.000 2.404 1.701 3.840 0.840 10 1 "[ . + . 2 .]" 1
623 1 65 ARG HB3 1 75 VAL QG 2.100 . 5.500 3.617 2.921 4.763 . 0 0 "[ . 1 . 2 .]" 1
624 1 65 ARG QD 1 66 GLN H 4.000 . 5.500 4.007 3.230 5.083 . 0 0 "[ . 1 . 2 .]" 1
625 1 65 ARG QG 1 66 GLN H 3.400 . 5.500 4.196 3.745 4.629 . 0 0 "[ . 1 . 2 .]" 1
626 1 65 ARG N 1 75 VAL O 2.950 2.700 3.200 2.742 2.596 2.984 0.104 16 0 "[ . 1 . 2 .]" 1
627 1 65 ARG O 1 75 VAL H 1.950 . 2.200 1.971 1.696 2.528 0.328 20 0 "[ . 1 . 2 .]" 1
628 1 65 ARG O 1 75 VAL N 2.950 2.700 3.200 2.878 2.619 3.408 0.208 20 0 "[ . 1 . 2 .]" 1
629 1 66 GLN H 1 74 ILE MD 2.900 . 5.500 4.872 3.993 5.537 0.037 5 0 "[ . 1 . 2 .]" 1
630 1 66 GLN HA 1 67 HIS H 2.400 . 3.100 2.251 2.094 3.156 0.056 21 0 "[ . 1 . 2 .]" 1
631 1 66 GLN HA 1 73 THR HA 1.400 . 5.500 5.402 4.862 5.673 0.173 4 0 "[ . 1 . 2 .]" 1
632 1 66 GLN HB2 1 75 VAL HB 1.200 . 5.500 5.171 3.990 5.578 0.078 23 0 "[ . 1 . 2 .]" 1
633 1 66 GLN QB 1 67 HIS H 3.000 . 4.100 3.030 1.881 3.885 0.019 21 0 "[ . 1 . 2 .]" 1
634 1 66 GLN QB 1 74 ILE MD 1.900 . 2.400 2.109 1.624 2.575 0.175 16 0 "[ . 1 . 2 .]" 1
635 1 66 GLN HB2 1 74 ILE MD 2.800 . 3.800 2.525 1.786 3.477 0.014 7 0 "[ . 1 . 2 .]" 1
636 1 67 HIS H 1 67 HIS HA 2.900 . 4.000 2.926 2.709 2.959 . 0 0 "[ . 1 . 2 .]" 1
637 1 67 HIS H 1 67 HIS HB2 2.600 . 3.400 2.573 2.249 3.280 . 0 0 "[ . 1 . 2 .]" 1
638 1 67 HIS H 1 67 HIS HB3 2.700 . 5.500 3.680 2.672 3.931 . 0 0 "[ . 1 . 2 .]" 1
639 1 67 HIS H 1 73 THR H 3.400 . 4.800 3.062 2.492 3.849 . 0 0 "[ . 1 . 2 .]" 1
640 1 67 HIS H 1 73 THR HB 3.600 . 5.200 3.103 2.292 3.852 . 0 0 "[ . 1 . 2 .]" 1
641 1 67 HIS H 1 73 THR MG 3.000 . 4.100 4.016 3.389 4.265 0.165 21 0 "[ . 1 . 2 .]" 1
642 1 67 HIS H 1 73 THR O 1.950 . 2.200 1.937 1.583 3.252 1.052 21 1 "[ . 1 . 2+ .]" 1
643 1 67 HIS H 1 74 ILE HA 5.500 . 5.500 3.772 3.236 4.976 . 0 0 "[ . 1 . 2 .]" 1
644 1 67 HIS HA 1 67 HIS HB2 2.500 . 3.300 2.995 2.574 3.033 . 0 0 "[ . 1 . 2 .]" 1
645 1 67 HIS HA 1 67 HIS HD2 3.200 . 4.500 4.437 3.015 4.651 0.151 22 0 "[ . 1 . 2 .]" 1
646 1 67 HIS HB2 1 67 HIS HD2 2.900 . 4.000 2.724 2.633 3.550 . 0 0 "[ . 1 . 2 .]" 1
647 1 67 HIS HB2 1 68 THR HA 2.800 . 5.500 5.036 4.549 5.719 0.219 16 0 "[ . 1 . 2 .]" 1
648 1 67 HIS HB2 1 73 THR H 2.900 . 4.000 3.688 2.679 4.310 0.310 12 0 "[ . 1 . 2 .]" 1
649 1 67 HIS HB2 1 73 THR HB 2.500 . 3.300 2.500 1.669 3.118 0.031 3 0 "[ . 1 . 2 .]" 1
650 1 67 HIS HB2 1 75 VAL QG 2.400 . 5.500 3.673 1.850 4.783 . 0 0 "[ . 1 . 2 .]" 1
651 1 67 HIS HB3 1 67 HIS HD2 3.200 . 4.500 3.713 3.584 3.872 . 0 0 "[ . 1 . 2 .]" 1
652 1 67 HIS HB3 1 68 THR HA 2.900 . 5.500 4.632 3.744 5.029 . 0 0 "[ . 1 . 2 .]" 1
653 1 67 HIS HB3 1 73 THR H 5.500 . 5.500 4.614 2.723 5.345 . 0 0 "[ . 1 . 2 .]" 1
654 1 67 HIS HD2 1 73 THR HB 3.400 . 4.800 3.913 1.995 4.735 0.005 10 0 "[ . 1 . 2 .]" 1
655 1 67 HIS HD2 1 75 VAL QG 2.200 . 2.800 2.304 1.562 2.829 0.038 20 0 "[ . 1 . 2 .]" 1
656 1 67 HIS N 1 73 THR O 2.950 2.700 3.200 2.828 2.570 3.426 0.226 21 0 "[ . 1 . 2 .]" 1
657 1 67 HIS O 1 73 THR H 1.950 . 2.200 2.235 1.682 3.542 1.342 12 4 "[ * . -* + . 2 .]" 1
658 1 67 HIS O 1 73 THR N 2.950 2.700 3.200 3.107 2.646 4.519 1.319 12 3 "[ . -* + . 2 .]" 1
659 1 68 THR H 1 72 ASP HA 2.700 . 5.500 4.973 4.201 7.575 2.075 12 2 "[ . - + . 2 .]" 1
660 1 68 THR HA 1 68 THR HB 2.400 . 3.100 2.948 2.567 3.042 . 0 0 "[ . 1 . 2 .]" 1
661 1 68 THR HA 1 68 THR MG 2.100 . 2.700 2.250 2.057 2.413 . 0 0 "[ . 1 . 2 .]" 1
662 1 68 THR HB 1 68 THR MG 2.000 . 2.500 2.093 2.068 2.125 . 0 0 "[ . 1 . 2 .]" 1
663 1 68 THR MG 1 71 GLU HA 1.900 . 5.500 4.832 3.466 5.651 0.151 1 0 "[ . 1 . 2 .]" 1
664 1 69 THR H 1 69 THR HA 2.200 . 2.800 2.527 2.217 2.927 0.127 13 0 "[ . 1 . 2 .]" 1
665 1 69 THR HA 1 69 THR HB 2.300 . 3.000 2.935 2.522 3.036 0.036 22 0 "[ . 1 . 2 .]" 1
666 1 69 THR HA 1 69 THR MG 2.000 . 2.500 2.330 2.184 2.494 . 0 0 "[ . 1 . 2 .]" 1
667 1 69 THR HA 1 70 ASP H 3.400 . 4.800 2.899 2.125 3.588 . 0 0 "[ . 1 . 2 .]" 1
668 1 69 THR HB 1 69 THR MG 1.800 . 2.200 2.102 2.068 2.128 . 0 0 "[ . 1 . 2 .]" 1
669 1 69 THR HB 1 70 ASP H 3.400 . 4.800 3.445 1.845 4.469 0.155 4 0 "[ . 1 . 2 .]" 1
670 1 69 THR MG 1 70 ASP H 3.400 . 4.800 3.489 1.966 4.216 0.034 14 0 "[ . 1 . 2 .]" 1
671 1 70 ASP H 1 70 ASP HB2 3.100 . 4.300 3.272 2.615 3.828 . 0 0 "[ . 1 . 2 .]" 1
672 1 70 ASP H 1 70 ASP HB3 2.700 . 3.600 3.388 2.418 4.186 0.586 5 4 "[ - + * 1 . * 2 .]" 1
673 1 70 ASP H 1 71 GLU H 3.500 . 5.000 2.837 1.947 4.253 0.053 2 0 "[ . 1 . 2 .]" 1
674 1 70 ASP HA 1 70 ASP HB2 2.300 . 3.000 2.665 2.422 3.029 0.029 12 0 "[ . 1 . 2 .]" 1
675 1 70 ASP HA 1 70 ASP HB3 2.400 . 3.100 2.830 2.316 3.046 . 0 0 "[ . 1 . 2 .]" 1
676 1 71 GLU H 1 71 GLU HA 2.800 . 3.800 2.923 2.849 2.949 . 0 0 "[ . 1 . 2 .]" 1
677 1 71 GLU H 1 71 GLU HB2 2.500 . 3.300 2.640 2.321 3.227 . 0 0 "[ . 1 . 2 .]" 1
678 1 71 GLU H 1 71 GLU QG 2.500 . 5.500 3.183 1.925 4.190 . 0 0 "[ . 1 . 2 .]" 1
679 1 71 GLU H 1 72 ASP H 2.900 . 5.500 4.201 3.231 4.584 . 0 0 "[ . 1 . 2 .]" 1
680 1 71 GLU HA 1 71 GLU QB 2.400 . 3.100 2.407 2.251 2.521 . 0 0 "[ . 1 . 2 .]" 1
681 1 71 GLU HA 1 71 GLU QG 2.100 . 2.700 2.457 2.211 2.731 0.031 7 0 "[ . 1 . 2 .]" 1
682 1 71 GLU QB 1 71 GLU HG3 1.600 . 2.200 2.117 2.087 2.132 . 0 0 "[ . 1 . 2 .]" 1
683 1 71 GLU HB3 1 72 ASP H 2.800 . 3.800 3.252 1.820 4.019 0.219 12 0 "[ . 1 . 2 .]" 1
684 1 71 GLU HB3 1 73 THR H 3.900 . 5.500 5.097 3.347 5.915 0.415 25 0 "[ . 1 . 2 .]" 1
685 1 71 GLU HG2 1 72 ASP H 3.100 . 4.300 4.197 1.858 5.022 0.722 25 4 "[ * - 1* . 2 +]" 1
686 1 72 ASP H 1 72 ASP HA 2.300 . 3.000 2.847 2.685 2.937 . 0 0 "[ . 1 . 2 .]" 1
687 1 72 ASP H 1 72 ASP HB2 3.100 . 4.300 2.749 2.198 4.080 . 0 0 "[ . 1 . 2 .]" 1
688 1 72 ASP H 1 72 ASP HB3 3.100 . 4.300 3.395 2.512 3.733 . 0 0 "[ . 1 . 2 .]" 1
689 1 72 ASP H 1 73 THR H 3.300 . 4.700 4.115 1.886 4.506 0.014 12 0 "[ . 1 . 2 .]" 1
690 1 73 THR H 1 73 THR HA 2.400 . 3.100 2.903 2.810 2.953 . 0 0 "[ . 1 . 2 .]" 1
691 1 73 THR H 1 73 THR HB 2.500 . 3.300 2.627 2.424 3.200 . 0 0 "[ . 1 . 2 .]" 1
692 1 73 THR H 1 73 THR MG 2.700 . 5.500 3.830 3.685 4.062 . 0 0 "[ . 1 . 2 .]" 1
693 1 73 THR H 1 74 ILE H 3.400 . 4.800 4.355 4.127 4.540 . 0 0 "[ . 1 . 2 .]" 1
694 1 73 THR HA 1 73 THR MG 2.300 . 3.000 2.415 2.281 2.567 . 0 0 "[ . 1 . 2 .]" 1
695 1 73 THR HA 1 74 ILE H 2.700 . 3.600 2.200 2.088 2.448 . 0 0 "[ . 1 . 2 .]" 1
696 1 73 THR HA 1 89 LYS HA 2.700 . 3.600 3.175 2.388 3.770 0.170 12 0 "[ . 1 . 2 .]" 1
697 1 73 THR HB 1 73 THR MG 2.200 . 2.800 2.094 2.047 2.126 . 0 0 "[ . 1 . 2 .]" 1
698 1 73 THR MG 1 87 ARG QB 2.300 . 5.500 2.631 1.932 3.385 . 0 0 "[ . 1 . 2 .]" 1
699 1 74 ILE H 1 74 ILE HB 2.800 . 3.800 2.570 2.282 2.913 . 0 0 "[ . 1 . 2 .]" 1
700 1 74 ILE H 1 74 ILE MD 2.500 . 3.300 3.440 2.036 4.079 0.779 25 6 "[* * . *1 . 2* - +]" 1
701 1 74 ILE H 1 74 ILE MG 3.100 . 4.300 3.791 3.648 3.894 . 0 0 "[ . 1 . 2 .]" 1
702 1 74 ILE H 1 88 ILE H 3.100 . 4.300 3.451 2.298 4.032 . 0 0 "[ . 1 . 2 .]" 1
703 1 74 ILE H 1 88 ILE MD 4.700 . 5.500 4.476 3.179 5.143 . 0 0 "[ . 1 . 2 .]" 1
704 1 74 ILE H 1 88 ILE O 1.950 . 2.200 2.233 1.745 3.070 0.870 1 3 "[+ . 1 - . * .]" 1
705 1 74 ILE HA 1 74 ILE HB 2.600 . 3.400 3.021 2.985 3.034 . 0 0 "[ . 1 . 2 .]" 1
706 1 74 ILE HA 1 74 ILE MD 2.400 . 3.100 2.146 1.744 2.840 . 0 0 "[ . 1 . 2 .]" 1
707 1 74 ILE HA 1 74 ILE MG 2.400 . 3.100 2.388 2.089 2.598 . 0 0 "[ . 1 . 2 .]" 1
708 1 74 ILE HA 1 75 VAL H 2.400 . 3.100 2.183 2.104 2.299 . 0 0 "[ . 1 . 2 .]" 1
709 1 74 ILE HA 1 104 LEU QD 2.800 . 5.500 4.506 3.583 5.531 0.031 13 0 "[ . 1 . 2 .]" 1
710 1 74 ILE HB 1 74 ILE MG 2.300 . 3.000 2.098 2.067 2.140 . 0 0 "[ . 1 . 2 .]" 1
711 1 74 ILE MD 1 105 ARG H 2.800 . 5.500 5.300 4.734 5.664 0.164 11 0 "[ . 1 . 2 .]" 1
712 1 74 ILE MG 1 75 VAL H 2.600 . 3.400 2.744 2.049 3.222 . 0 0 "[ . 1 . 2 .]" 1
713 1 74 ILE N 1 88 ILE O 2.950 2.700 3.200 3.111 2.721 3.819 0.619 1 1 "[+ . 1 . 2 .]" 1
714 1 74 ILE O 1 88 ILE H 1.950 . 2.200 1.983 1.678 3.019 0.819 1 2 "[+ . 1 . 2 -]" 1
715 1 74 ILE O 1 88 ILE N 2.950 2.700 3.200 2.882 2.650 3.476 0.276 1 0 "[ . 1 . 2 .]" 1
716 1 75 VAL H 1 75 VAL HA 2.900 . 4.000 2.934 2.900 2.967 . 0 0 "[ . 1 . 2 .]" 1
717 1 75 VAL H 1 75 VAL HB 2.600 . 5.500 3.291 2.421 3.843 . 0 0 "[ . 1 . 2 .]" 1
718 1 75 VAL H 1 75 VAL QG 2.500 . 3.300 2.361 1.821 2.998 0.079 23 0 "[ . 1 . 2 .]" 1
719 1 75 VAL H 1 76 LEU H 3.300 . 4.700 4.386 4.008 4.528 . 0 0 "[ . 1 . 2 .]" 1
720 1 75 VAL H 1 87 ARG QB 3.600 . 5.500 5.254 4.293 6.091 0.591 18 1 "[ . 1 . + 2 .]" 1
721 1 75 VAL HA 1 75 VAL HB 2.500 . 3.300 2.651 2.327 3.034 . 0 0 "[ . 1 . 2 .]" 1
722 1 75 VAL HA 1 75 VAL QG 2.100 . 2.700 2.242 2.026 2.460 . 0 0 "[ . 1 . 2 .]" 1
723 1 75 VAL HA 1 76 LEU H 2.500 . 3.300 2.221 2.088 2.421 . 0 0 "[ . 1 . 2 .]" 1
724 1 75 VAL HA 1 76 LEU QD 3.000 . 4.100 2.904 2.586 3.366 . 0 0 "[ . 1 . 2 .]" 1
725 1 75 VAL HA 1 87 ARG HA 2.300 . 3.000 2.295 1.889 2.763 . 0 0 "[ . 1 . 2 .]" 1
726 1 75 VAL HA 1 88 ILE H 4.200 . 5.500 3.462 3.038 4.466 . 0 0 "[ . 1 . 2 .]" 1
727 1 75 VAL HB 1 75 VAL QG 2.000 . 2.500 1.878 1.850 1.910 . 0 0 "[ . 1 . 2 .]" 1
728 1 75 VAL HB 1 87 ARG QB 2.100 . 5.500 4.418 2.913 5.553 0.053 1 0 "[ . 1 . 2 .]" 1
729 1 75 VAL QG 1 76 LEU H 2.700 . 5.500 3.048 2.415 3.498 . 0 0 "[ . 1 . 2 .]" 1
730 1 75 VAL QG 1 77 GLN H 3.000 . 4.100 4.078 3.673 4.245 0.145 17 0 "[ . 1 . 2 .]" 1
731 1 75 VAL QG 1 87 ARG HA 2.600 . 3.400 2.927 2.452 3.422 0.022 2 0 "[ . 1 . 2 .]" 1
732 1 75 VAL QG 1 87 ARG QB 2.400 . 3.100 2.305 1.388 2.918 0.312 24 0 "[ . 1 . 2 .]" 1
733 1 76 LEU H 1 76 LEU HB2 2.800 . 3.800 3.031 2.379 3.910 0.110 18 0 "[ . 1 . 2 .]" 1
734 1 76 LEU H 1 76 LEU HB3 3.500 . 5.000 3.550 2.972 3.822 . 0 0 "[ . 1 . 2 .]" 1
735 1 76 LEU H 1 76 LEU QD 2.700 . 3.600 2.223 1.775 2.719 0.225 8 0 "[ . 1 . 2 .]" 1
736 1 76 LEU H 1 76 LEU HG 2.900 . 4.000 3.275 2.177 4.013 0.013 21 0 "[ . 1 . 2 .]" 1
737 1 76 LEU H 1 86 PHE H 2.900 . 4.000 3.660 2.554 4.188 0.188 11 0 "[ . 1 . 2 .]" 1
738 1 76 LEU H 1 86 PHE O 1.950 . 2.200 2.274 1.668 2.968 0.768 1 4 "[+* . *1 . - 2 .]" 1
739 1 76 LEU H 1 87 ARG QB 3.500 . 5.000 2.793 2.200 3.153 . 0 0 "[ . 1 . 2 .]" 1
740 1 76 LEU H 1 87 ARG HA 3.300 . 4.700 3.367 2.612 4.411 . 0 0 "[ . 1 . 2 .]" 1
741 1 76 LEU HA 1 76 LEU HB2 2.500 . 3.300 2.816 2.429 3.041 . 0 0 "[ . 1 . 2 .]" 1
742 1 76 LEU HA 1 76 LEU HB3 2.600 . 3.400 2.439 2.249 2.582 . 0 0 "[ . 1 . 2 .]" 1
743 1 76 LEU HA 1 76 LEU QD 2.900 . 4.000 3.115 2.773 3.381 . 0 0 "[ . 1 . 2 .]" 1
744 1 76 LEU HA 1 76 LEU HG 2.600 . 3.400 2.935 2.376 3.647 0.247 17 0 "[ . 1 . 2 .]" 1
745 1 76 LEU HA 1 77 GLN H 2.200 . 2.800 2.121 2.042 2.208 . 0 0 "[ . 1 . 2 .]" 1
746 1 76 LEU HB2 1 77 GLN H 2.800 . 5.500 3.839 2.912 4.426 . 0 0 "[ . 1 . 2 .]" 1
747 1 76 LEU HB3 1 76 LEU QD 2.500 . 3.300 2.081 1.967 2.233 . 0 0 "[ . 1 . 2 .]" 1
748 1 76 LEU MD1 1 76 LEU MD2 1.800 . 2.200 2.000 1.894 2.082 . 0 0 "[ . 1 . 2 .]" 1
749 1 76 LEU QD 1 86 PHE HB2 2.300 . 5.500 4.579 3.290 5.234 . 0 0 "[ . 1 . 2 .]" 1
750 1 76 LEU QD 1 86 PHE QB 2.300 . 5.500 3.887 2.308 4.658 . 0 0 "[ . 1 . 2 .]" 1
751 1 76 LEU QD 1 86 PHE HZ 2.700 . 3.600 2.803 1.969 3.644 0.044 10 0 "[ . 1 . 2 .]" 1
752 1 76 LEU QD 1 87 ARG HA 2.900 . 4.000 3.331 2.404 4.016 0.016 25 0 "[ . 1 . 2 .]" 1
753 1 76 LEU QD 1 88 ILE MD 2.600 . 3.400 2.756 2.062 3.445 0.045 1 0 "[ . 1 . 2 .]" 1
754 1 76 LEU N 1 86 PHE O 2.950 2.700 3.200 3.200 2.644 3.930 0.730 1 3 "[+ . -1 . * 2 .]" 1
755 1 76 LEU O 1 86 PHE H 1.950 . 2.200 2.973 2.131 3.656 1.456 18 19 "[*** *****1***-* + * ****]" 1
756 1 76 LEU O 1 86 PHE N 2.950 2.700 3.200 3.726 3.024 4.522 1.322 2 14 "[*+* **** 1** * * * -* .]" 1
757 1 77 GLN H 1 77 GLN HA 2.900 . 4.000 2.937 2.903 2.959 . 0 0 "[ . 1 . 2 .]" 1
758 1 77 GLN H 1 77 GLN QB 2.600 . 3.400 2.425 2.184 2.669 . 0 0 "[ . 1 . 2 .]" 1
759 1 77 GLN H 1 77 GLN QG 3.000 . 4.100 3.221 2.408 4.184 0.084 24 0 "[ . 1 . 2 .]" 1
760 1 77 GLN HA 1 86 PHE H 4.100 . 5.500 4.804 3.382 5.579 0.079 18 0 "[ . 1 . 2 .]" 1
761 1 78 PRO HA 1 78 PRO HB2 2.400 . 3.100 2.738 2.614 2.985 . 0 0 "[ . 1 . 2 .]" 1
762 1 78 PRO HA 1 78 PRO HB3 2.600 . 3.400 2.292 2.260 2.316 . 0 0 "[ . 1 . 2 .]" 1
763 1 78 PRO HA 1 80 GLU H 2.600 . 3.400 3.306 3.056 3.542 0.142 12 0 "[ . 1 . 2 .]" 1
764 1 78 PRO HA 1 83 LEU QB 3.000 . 4.100 3.201 1.847 4.171 0.071 11 0 "[ . 1 . 2 .]" 1
765 1 78 PRO HB2 1 79 GLN H 3.100 . 4.300 3.584 2.220 4.316 0.016 19 0 "[ . 1 . 2 .]" 1
766 1 78 PRO HB2 1 80 GLU H 2.400 . 5.500 2.994 1.737 5.161 . 0 0 "[ . 1 . 2 .]" 1
767 1 78 PRO HB3 1 79 GLN H 2.400 . 5.500 3.982 3.268 4.486 . 0 0 "[ . 1 . 2 .]" 1
768 1 79 GLN H 1 79 GLN HB3 2.900 . 4.000 2.981 2.458 3.954 . 0 0 "[ . 1 . 2 .]" 1
769 1 79 GLN H 1 79 GLN QG 2.500 . 3.300 2.158 1.828 3.117 . 0 0 "[ . 1 . 2 .]" 1
770 1 79 GLN H 1 80 GLU H 2.600 . 3.400 2.262 1.618 2.819 0.182 9 0 "[ . 1 . 2 .]" 1
771 1 79 GLN QG 1 80 GLU H 2.700 . 3.600 3.095 1.994 3.628 0.028 21 0 "[ . 1 . 2 .]" 1
772 1 80 GLU H 1 80 GLU HA 2.400 . 3.100 2.838 2.165 2.947 . 0 0 "[ . 1 . 2 .]" 1
773 1 80 GLU H 1 80 GLU QB 2.200 . 2.800 2.613 2.364 2.794 . 0 0 "[ . 1 . 2 .]" 1
774 1 80 GLU H 1 80 GLU QG 2.500 . 5.500 3.437 2.707 4.284 . 0 0 "[ . 1 . 2 .]" 1
775 1 80 GLU H 1 81 PRO QD 3.400 . 4.800 4.046 2.185 4.432 . 0 0 "[ . 1 . 2 .]" 1
776 1 80 GLU H 1 83 LEU QB 3.100 . 5.500 3.443 2.349 4.267 . 0 0 "[ . 1 . 2 .]" 1
777 1 80 GLU H 1 83 LEU QD 2.700 . 5.500 3.622 2.399 4.460 . 0 0 "[ . 1 . 2 .]" 1
778 1 80 GLU HA 1 80 GLU QB 2.400 . 3.100 2.386 2.118 2.524 . 0 0 "[ . 1 . 2 .]" 1
779 1 80 GLU HA 1 80 GLU QG 2.800 . 3.800 2.573 2.186 3.381 . 0 0 "[ . 1 . 2 .]" 1
780 1 80 GLU HA 1 81 PRO QD 1.900 . 2.400 1.983 1.743 2.658 0.258 22 0 "[ . 1 . 2 .]" 1
781 1 80 GLU QB 1 81 PRO QD 1.900 . 5.500 2.896 1.967 3.820 . 0 0 "[ . 1 . 2 .]" 1
782 1 80 GLU QB 1 83 LEU QD 2.000 . 5.500 3.478 1.759 5.095 . 0 0 "[ . 1 . 2 .]" 1
783 1 81 PRO QD 1 82 GLY HA3 1.700 . 5.500 5.055 3.523 5.578 0.078 13 0 "[ . 1 . 2 .]" 1
784 1 82 GLY HA2 1 83 LEU H 3.100 . 4.300 3.141 2.167 3.552 . 0 0 "[ . 1 . 2 .]" 1
785 1 82 GLY HA3 1 83 LEU H 2.900 . 4.000 3.058 2.094 3.614 . 0 0 "[ . 1 . 2 .]" 1
786 1 83 LEU H 1 83 LEU HA 2.500 . 3.300 2.826 2.315 2.940 . 0 0 "[ . 1 . 2 .]" 1
787 1 83 LEU H 1 83 LEU QB 2.300 . 3.400 2.494 2.158 3.162 . 0 0 "[ . 1 . 2 .]" 1
788 1 83 LEU H 1 83 LEU QD 2.600 . 4.000 3.655 3.010 4.192 0.192 11 0 "[ . 1 . 2 .]" 1
789 1 83 LEU H 1 83 LEU HG 2.300 . 5.500 4.059 2.128 5.263 . 0 0 "[ . 1 . 2 .]" 1
790 1 83 LEU HA 1 83 LEU QD 2.200 . 2.800 2.084 1.546 2.742 0.054 4 0 "[ . 1 . 2 .]" 1
791 1 83 LEU QB 1 83 LEU QD 2.400 . 2.700 1.930 1.827 2.058 0.073 5 0 "[ . 1 . 2 .]" 1
792 1 83 LEU QB 1 84 PRO QD 2.800 . 3.800 3.248 2.418 3.751 . 0 0 "[ . 1 . 2 .]" 1
793 1 83 LEU MD1 1 83 LEU MD2 2.000 . 2.500 2.013 1.841 2.112 . 0 0 "[ . 1 . 2 .]" 1
794 1 83 LEU QD 1 83 LEU HG 2.000 . 2.500 1.877 1.856 1.906 . 0 0 "[ . 1 . 2 .]" 1
795 1 83 LEU QD 1 84 PRO QD 2.200 . 2.800 2.096 1.552 2.763 0.048 16 0 "[ . 1 . 2 .]" 1
796 1 84 PRO HA 1 84 PRO HB3 2.400 . 3.100 2.293 2.226 2.347 . 0 0 "[ . 1 . 2 .]" 1
797 1 84 PRO HA 1 85 SER H 2.200 . 2.800 2.397 2.043 2.917 0.117 19 0 "[ . 1 . 2 .]" 1
798 1 84 PRO HB2 1 85 SER H 2.500 . 3.300 2.758 1.567 3.524 0.224 25 0 "[ . 1 . 2 .]" 1
799 1 84 PRO HB3 1 85 SER H 2.700 . 3.600 3.443 2.989 3.810 0.210 25 0 "[ . 1 . 2 .]" 1
800 1 85 SER H 1 85 SER QB 2.300 . 3.000 2.795 2.496 3.126 0.126 12 0 "[ . 1 . 2 .]" 1
801 1 85 SER HA 1 85 SER QB 1.900 . 2.400 2.254 2.170 2.394 . 0 0 "[ . 1 . 2 .]" 1
802 1 85 SER HA 1 86 PHE H 2.300 . 3.000 2.170 2.038 2.336 . 0 0 "[ . 1 . 2 .]" 1
803 1 85 SER QB 1 86 PHE H 2.500 . 5.500 3.319 2.853 3.689 . 0 0 "[ . 1 . 2 .]" 1
804 1 86 PHE H 1 86 PHE HA 3.000 . 4.100 2.919 2.829 2.951 . 0 0 "[ . 1 . 2 .]" 1
805 1 86 PHE H 1 86 PHE QB 2.700 . 3.600 2.851 2.193 3.264 . 0 0 "[ . 1 . 2 .]" 1
806 1 86 PHE H 1 86 PHE QD 3.000 . 4.100 2.944 1.912 4.330 0.230 19 0 "[ . 1 . 2 .]" 1
807 1 86 PHE HA 1 86 PHE HB2 2.400 . 3.100 2.369 2.234 2.470 . 0 0 "[ . 1 . 2 .]" 1
808 1 86 PHE HA 1 86 PHE QB 2.200 . 2.800 2.200 2.156 2.367 . 0 0 "[ . 1 . 2 .]" 1
809 1 86 PHE HA 1 86 PHE QD 2.600 . 5.500 3.397 2.116 3.734 . 0 0 "[ . 1 . 2 .]" 1
810 1 86 PHE HA 1 87 ARG H 2.400 . 3.100 2.407 2.125 2.783 . 0 0 "[ . 1 . 2 .]" 1
811 1 86 PHE QB 1 86 PHE QD 2.500 . 3.300 2.133 2.083 2.278 . 0 0 "[ . 1 . 2 .]" 1
812 1 86 PHE QD 1 87 ARG H 2.900 . 4.000 2.768 1.805 3.888 . 0 0 "[ . 1 . 2 .]" 1
813 1 86 PHE QE 1 88 ILE MG 2.600 . 3.400 1.877 1.604 2.510 0.196 15 0 "[ . 1 . 2 .]" 1
814 1 86 PHE HZ 1 88 ILE MG 2.500 . 5.500 3.116 2.047 3.509 . 0 0 "[ . 1 . 2 .]" 1
815 1 87 ARG H 1 87 ARG QB 2.900 . 3.800 2.832 2.201 3.309 . 0 0 "[ . 1 . 2 .]" 1
816 1 87 ARG H 1 87 ARG QD 2.600 . 3.400 2.823 1.836 3.881 0.481 12 0 "[ . 1 . 2 .]" 1
817 1 87 ARG H 1 87 ARG QG 2.700 . 3.600 2.888 1.739 3.726 0.126 11 0 "[ . 1 . 2 .]" 1
818 1 87 ARG H 1 88 ILE H 3.400 . 4.800 4.350 3.823 4.548 . 0 0 "[ . 1 . 2 .]" 1
819 1 87 ARG HA 1 87 ARG QB 2.400 . 3.100 2.282 2.123 2.440 . 0 0 "[ . 1 . 2 .]" 1
820 1 87 ARG HA 1 87 ARG QG 3.100 . 3.600 2.828 2.262 3.461 . 0 0 "[ . 1 . 2 .]" 1
821 1 87 ARG HA 1 88 ILE H 2.500 . 3.300 2.294 2.160 2.604 . 0 0 "[ . 1 . 2 .]" 1
822 1 87 ARG QB 1 88 ILE H 2.800 . 3.800 2.873 1.913 3.736 . 0 0 "[ . 1 . 2 .]" 1
823 1 88 ILE H 1 88 ILE HA 3.000 . 4.100 2.926 2.787 2.961 . 0 0 "[ . 1 . 2 .]" 1
824 1 88 ILE H 1 88 ILE MD 3.300 . 4.700 3.862 3.559 4.157 . 0 0 "[ . 1 . 2 .]" 1
825 1 88 ILE H 1 88 ILE QG 2.500 . 3.300 2.163 1.823 2.491 . 0 0 "[ . 1 . 2 .]" 1
826 1 88 ILE H 1 88 ILE MG 2.800 . 3.800 3.382 3.070 3.621 . 0 0 "[ . 1 . 2 .]" 1
827 1 88 ILE HA 1 88 ILE HB 2.400 . 3.100 2.611 2.489 2.716 . 0 0 "[ . 1 . 2 .]" 1
828 1 88 ILE HA 1 88 ILE MG 2.300 . 3.000 2.093 1.976 2.260 . 0 0 "[ . 1 . 2 .]" 1
829 1 88 ILE HA 1 89 LYS H 2.500 . 3.300 2.132 2.009 2.362 . 0 0 "[ . 1 . 2 .]" 1
830 1 88 ILE HB 1 88 ILE MD 2.700 . 3.600 2.416 2.248 2.520 . 0 0 "[ . 1 . 2 .]" 1
831 1 88 ILE HB 1 88 ILE QG 2.400 . 3.100 2.360 2.302 2.397 . 0 0 "[ . 1 . 2 .]" 1
832 1 88 ILE HB 1 88 ILE MG 2.200 . 2.800 2.098 2.069 2.138 . 0 0 "[ . 1 . 2 .]" 1
833 1 88 ILE HB 1 89 LYS H 2.600 . 3.400 3.298 2.854 3.675 0.275 8 0 "[ . 1 . 2 .]" 1
834 1 88 ILE MD 1 88 ILE MG 2.300 . 3.000 1.985 1.666 2.172 . 0 0 "[ . 1 . 2 .]" 1
835 1 88 ILE MG 1 89 LYS H 2.700 . 5.500 3.549 3.050 3.742 . 0 0 "[ . 1 . 2 .]" 1
836 1 89 LYS H 1 89 LYS QB 2.700 . 3.600 2.813 2.214 3.165 . 0 0 "[ . 1 . 2 .]" 1
837 1 89 LYS H 1 89 LYS QE 3.600 . 5.200 4.842 4.260 5.235 0.035 17 0 "[ . 1 . 2 .]" 1
838 1 89 LYS H 1 89 LYS QG 2.900 . 4.000 2.785 2.220 3.648 . 0 0 "[ . 1 . 2 .]" 1
839 1 89 LYS H 1 91 LYS H 3.300 . 5.500 4.480 3.932 4.980 . 0 0 "[ . 1 . 2 .]" 1
840 1 89 LYS QE 1 91 LYS H 4.000 . 5.500 4.499 3.016 5.616 0.116 8 0 "[ . 1 . 2 .]" 1
841 1 89 LYS QG 1 91 LYS HG2 1.700 . 5.500 4.661 2.841 6.015 0.515 5 1 "[ + 1 . 2 .]" 1
842 1 90 PRO HA 1 90 PRO QB 2.400 . 3.100 2.195 2.170 2.240 . 0 0 "[ . 1 . 2 .]" 1
843 1 90 PRO QB 1 92 ASP QB 2.200 . 5.500 5.571 3.122 7.022 1.522 5 9 "[ * *+ * * .* * * -]" 1
844 1 90 PRO QD 1 91 LYS H 2.500 . 5.500 3.930 2.883 4.604 . 0 0 "[ . 1 . 2 .]" 1
845 1 91 LYS H 1 91 LYS HB2 2.600 . 3.400 2.579 2.043 3.598 0.198 2 0 "[ . 1 . 2 .]" 1
846 1 91 LYS H 1 91 LYS HB3 3.000 . 4.100 3.055 2.335 3.852 . 0 0 "[ . 1 . 2 .]" 1
847 1 91 LYS H 1 91 LYS QG 4.200 . 5.500 3.683 2.065 4.405 . 0 0 "[ . 1 . 2 .]" 1
848 1 91 LYS H 1 92 ASP H 2.700 . 3.600 3.051 2.050 3.867 0.267 15 0 "[ . 1 . 2 .]" 1
849 1 91 LYS H 1 92 ASP HA 2.900 . 5.500 5.202 4.371 5.569 0.069 11 0 "[ . 1 . 2 .]" 1
850 1 91 LYS HA 1 91 LYS HB2 2.300 . 3.000 2.653 2.388 3.048 0.048 23 0 "[ . 1 . 2 .]" 1
851 1 91 LYS HA 1 91 LYS HB3 2.300 . 3.000 2.887 2.297 3.028 0.028 5 0 "[ . 1 . 2 .]" 1
852 1 91 LYS HA 1 91 LYS QG 2.400 . 3.100 2.478 2.163 3.292 0.192 2 0 "[ . 1 . 2 .]" 1
853 1 91 LYS HA 1 92 ASP H 2.900 . 4.000 3.137 2.154 3.626 . 0 0 "[ . 1 . 2 .]" 1
854 1 91 LYS HB2 1 92 ASP H 2.500 . 5.500 3.878 2.427 4.556 . 0 0 "[ . 1 . 2 .]" 1
855 1 91 LYS HB3 1 92 ASP H 2.900 . 5.500 3.198 1.759 4.331 . 0 0 "[ . 1 . 2 .]" 1
856 1 91 LYS QE 1 91 LYS HG2 2.400 . 3.100 2.394 2.241 2.874 . 0 0 "[ . 1 . 2 .]" 1
857 1 91 LYS QG 1 92 ASP H 4.500 . 5.500 4.025 1.954 4.873 0.046 2 0 "[ . 1 . 2 .]" 1
858 1 92 ASP H 1 92 ASP HA 2.300 . 3.000 2.819 2.266 2.947 . 0 0 "[ . 1 . 2 .]" 1
859 1 92 ASP H 1 92 ASP QB 2.400 . 3.100 2.610 2.210 2.969 . 0 0 "[ . 1 . 2 .]" 1
860 1 92 ASP HA 1 92 ASP QB 2.500 . 3.300 2.380 2.142 2.500 . 0 0 "[ . 1 . 2 .]" 1
861 1 92 ASP QB 1 93 PHE QB 2.900 . 5.500 4.291 3.367 5.116 . 0 0 "[ . 1 . 2 .]" 1
862 1 93 PHE HA 1 93 PHE QB 2.500 . 3.300 2.357 2.144 2.511 . 0 0 "[ . 1 . 2 .]" 1
863 1 93 PHE HA 1 93 PHE QD 3.300 . 4.700 2.788 1.792 3.742 0.108 17 0 "[ . 1 . 2 .]" 1
864 1 93 PHE HA 1 96 SER QB 2.600 . 5.500 5.186 2.293 7.079 1.579 19 6 "[ - . * * . +2* *]" 1
865 1 93 PHE QB 1 93 PHE QD . . 2.700 2.157 2.106 2.333 . 0 0 "[ . 1 . 2 .]" 1
866 1 93 PHE QD 1 96 SER QB 3.000 . 4.100 3.138 1.867 4.074 0.033 2 0 "[ . 1 . 2 .]" 1
867 1 95 THR HA 1 95 THR MG 2.200 . 2.800 2.326 2.120 3.168 0.368 6 0 "[ . 1 . 2 .]" 1
868 1 95 THR HA 1 96 SER H 2.300 . 3.000 2.708 2.168 3.384 0.384 13 0 "[ . 1 . 2 .]" 1
869 1 95 THR HA 1 97 GLU H 2.600 . 5.500 4.045 2.964 5.652 0.152 1 0 "[ . 1 . 2 .]" 1
870 1 95 THR HB 1 95 THR MG 2.100 . 2.700 2.098 2.066 2.125 . 0 0 "[ . 1 . 2 .]" 1
871 1 95 THR MG 1 96 SER H 3.300 . 4.700 3.817 1.951 4.439 . 0 0 "[ . 1 . 2 .]" 1
872 1 95 THR MG 1 98 TYR QD 2.600 . 5.500 4.513 2.465 5.762 0.262 25 0 "[ . 1 . 2 .]" 1
873 1 96 SER H 1 96 SER QB 2.200 . 2.800 2.676 2.200 3.116 0.316 10 0 "[ . 1 . 2 .]" 1
874 1 96 SER H 1 97 GLU H 3.200 . 4.500 2.615 1.574 3.658 0.326 2 0 "[ . 1 . 2 .]" 1
875 1 96 SER H 1 97 GLU QB 3.600 . 5.200 4.350 3.319 5.218 0.018 7 0 "[ . 1 . 2 .]" 1
876 1 96 SER H 1 98 TYR H 3.300 . 4.700 4.347 2.520 5.122 0.422 25 0 "[ . 1 . 2 .]" 1
877 1 96 SER QB 1 97 GLU H 2.800 . 5.500 3.175 1.536 3.989 . 0 0 "[ . 1 . 2 .]" 1
878 1 97 GLU H 1 97 GLU HA 2.500 . 3.300 2.704 2.220 2.909 . 0 0 "[ . 1 . 2 .]" 1
879 1 97 GLU H 1 97 GLU QB 2.400 . 3.100 2.513 2.114 3.137 0.037 1 0 "[ . 1 . 2 .]" 1
880 1 97 GLU H 1 98 TYR H 3.100 . 4.300 2.776 2.398 3.529 . 0 0 "[ . 1 . 2 .]" 1
881 1 97 GLU H 1 98 TYR HB2 3.300 . 5.500 4.972 4.472 5.952 0.452 10 0 "[ . 1 . 2 .]" 1
882 1 97 GLU HA 1 100 ARG H 3.200 . 4.500 3.566 2.981 4.775 0.275 23 0 "[ . 1 . 2 .]" 1
883 1 97 GLU HA 1 101 LYS QB 2.500 . 5.500 5.697 3.404 7.806 2.306 10 8 "[ ** * + .* - ** .]" 1
884 1 97 GLU QB 1 98 TYR H 2.700 . 3.600 2.601 1.654 3.577 0.146 22 0 "[ . 1 . 2 .]" 1
885 1 97 GLU QB 1 98 TYR QD 3.400 . 4.800 3.985 2.140 5.477 0.677 21 2 "[ . 1 . - 2+ .]" 1
886 1 97 GLU QB 1 99 VAL H 5.500 . 5.500 4.473 2.257 5.269 . 0 0 "[ . 1 . 2 .]" 1
887 1 97 GLU QB 1 100 ARG HB2 1.500 . 5.500 4.514 1.819 5.978 0.478 1 0 "[ . 1 . 2 .]" 1
888 1 97 GLU QB 1 101 LYS H 2.500 . 5.500 4.941 3.536 6.291 0.791 16 2 "[ . - 1 .+ 2 .]" 1
889 1 98 TYR H 1 98 TYR HA 2.400 . 3.100 2.749 2.209 2.903 . 0 0 "[ . 1 . 2 .]" 1
890 1 98 TYR H 1 98 TYR HB2 2.200 . 2.800 2.572 2.215 3.786 0.986 10 2 "[ . + . 2 - .]" 1
891 1 98 TYR H 1 99 VAL H 2.400 . 3.100 2.703 1.687 3.096 0.013 22 0 "[ . 1 . 2 .]" 1
892 1 98 TYR H 1 99 VAL QG 3.200 . 4.500 3.961 3.495 4.579 0.079 25 0 "[ . 1 . 2 .]" 1
893 1 98 TYR H 1 100 ARG H 3.600 . 5.200 3.917 2.244 4.542 . 0 0 "[ . 1 . 2 .]" 1
894 1 98 TYR HA 1 98 TYR QB 2.200 . 2.800 2.378 2.132 2.535 . 0 0 "[ . 1 . 2 .]" 1
895 1 98 TYR HA 1 98 TYR QD 2.900 . 4.000 2.825 2.070 3.342 . 0 0 "[ . 1 . 2 .]" 1
896 1 98 TYR HA 1 99 VAL H 3.400 . 4.800 3.503 3.342 3.600 . 0 0 "[ . 1 . 2 .]" 1
897 1 98 TYR HA 1 101 LYS H 3.000 . 5.500 3.798 3.035 4.310 . 0 0 "[ . 1 . 2 .]" 1
898 1 98 TYR HA 1 101 LYS QB 2.200 . 5.500 3.423 2.054 4.563 . 0 0 "[ . 1 . 2 .]" 1
899 1 98 TYR HA 1 102 ALA H 4.600 . 5.500 4.739 3.264 5.738 0.238 6 0 "[ . 1 . 2 .]" 1
900 1 98 TYR QB 1 98 TYR QD 2.200 . 2.800 2.141 2.115 2.177 . 0 0 "[ . 1 . 2 .]" 1
901 1 98 TYR QB 1 100 ARG H 4.000 . 5.500 4.628 4.148 5.053 . 0 0 "[ . 1 . 2 .]" 1
902 1 98 TYR HB2 1 99 VAL H 2.600 . 3.400 3.080 2.348 4.350 0.950 23 3 "[ . * . - 2 + .]" 1
903 1 98 TYR QD 1 99 VAL QG 2.700 . 5.500 4.219 2.213 5.056 . 0 0 "[ . 1 . 2 .]" 1
904 1 99 VAL H 1 99 VAL HA 2.800 . 3.800 2.852 2.776 2.914 . 0 0 "[ . 1 . 2 .]" 1
905 1 99 VAL H 1 99 VAL HB 2.500 . 3.300 2.808 2.130 3.676 0.376 10 0 "[ . 1 . 2 .]" 1
906 1 99 VAL H 1 99 VAL QG 2.300 . 3.000 2.141 1.810 2.548 . 0 0 "[ . 1 . 2 .]" 1
907 1 99 VAL H 1 100 ARG H 2.700 . 3.600 2.502 2.137 2.792 . 0 0 "[ . 1 . 2 .]" 1
908 1 99 VAL HA 1 99 VAL QG 2.300 . 3.000 2.203 2.068 2.540 . 0 0 "[ . 1 . 2 .]" 1
909 1 99 VAL HA 1 100 ARG H 3.100 . 4.300 3.490 3.298 3.561 . 0 0 "[ . 1 . 2 .]" 1
910 1 99 VAL HA 1 100 ARG QB 2.400 . 5.500 5.175 4.884 5.375 . 0 0 "[ . 1 . 2 .]" 1
911 1 99 VAL HA 1 102 ALA H 3.300 . 4.700 3.408 2.897 4.501 . 0 0 "[ . 1 . 2 .]" 1
912 1 99 VAL HA 1 102 ALA MB 2.500 . 3.300 2.644 1.678 3.465 0.165 25 0 "[ . 1 . 2 .]" 1
913 1 99 VAL HB 1 99 VAL QG 2.100 . 2.700 1.873 1.847 1.900 . 0 0 "[ . 1 . 2 .]" 1
914 1 99 VAL HB 1 103 TRP HD1 3.600 . 5.200 4.320 2.058 5.303 0.103 23 0 "[ . 1 . 2 .]" 1
915 1 99 VAL MG1 1 99 VAL MG2 2.000 . 2.500 2.007 1.880 2.123 . 0 0 "[ . 1 . 2 .]" 1
916 1 99 VAL QG 1 100 ARG H 3.400 . 4.800 2.811 1.966 3.390 0.034 23 0 "[ . 1 . 2 .]" 1
917 1 99 VAL QG 1 103 TRP HD1 2.300 . 3.000 2.531 1.745 3.206 0.206 10 0 "[ . 1 . 2 .]" 1
918 1 99 VAL QG 1 103 TRP HZ2 2.800 . 5.500 4.835 3.919 5.722 0.222 25 0 "[ . 1 . 2 .]" 1
919 1 100 ARG H 1 100 ARG HA 2.800 . 3.800 2.791 2.693 2.856 . 0 0 "[ . 1 . 2 .]" 1
920 1 100 ARG H 1 100 ARG HB2 2.300 . 3.000 2.439 2.072 2.737 . 0 0 "[ . 1 . 2 .]" 1
921 1 100 ARG H 1 100 ARG HB3 2.700 . 3.600 2.778 2.139 3.613 0.013 22 0 "[ . 1 . 2 .]" 1
922 1 100 ARG H 1 100 ARG QD 3.600 . 5.200 4.118 2.178 4.982 . 0 0 "[ . 1 . 2 .]" 1
923 1 100 ARG H 1 100 ARG QG 2.800 . 5.500 3.742 2.169 4.054 . 0 0 "[ . 1 . 2 .]" 1
924 1 100 ARG H 1 101 LYS H 2.700 . 3.600 2.774 2.499 3.082 . 0 0 "[ . 1 . 2 .]" 1
925 1 100 ARG HA 1 100 ARG QB 2.000 . 2.500 2.383 2.234 2.527 0.027 4 0 "[ . 1 . 2 .]" 1
926 1 100 ARG HA 1 100 ARG HG2 2.400 . 3.100 3.069 2.144 3.808 0.708 6 3 "[ .+ 1 - * 2 .]" 1
927 1 100 ARG HA 1 103 TRP H 3.100 . 4.300 3.741 2.895 4.373 0.073 8 0 "[ . 1 . 2 .]" 1
928 1 101 LYS H 1 101 LYS HA 2.500 . 3.300 2.837 2.805 2.889 . 0 0 "[ . 1 . 2 .]" 1
929 1 101 LYS H 1 101 LYS QB 2.300 . 3.000 2.258 2.108 2.446 . 0 0 "[ . 1 . 2 .]" 1
930 1 101 LYS H 1 101 LYS QE 3.200 . 5.500 4.226 2.791 5.243 . 0 0 "[ . 1 . 2 .]" 1
931 1 101 LYS H 1 101 LYS QG 3.000 . 4.100 3.199 2.232 4.081 . 0 0 "[ . 1 . 2 .]" 1
932 1 101 LYS H 1 102 ALA MB 5.500 . 5.500 4.203 3.988 4.547 . 0 0 "[ . 1 . 2 .]" 1
933 1 101 LYS HA 1 101 LYS QB 2.100 . 3.400 2.431 2.370 2.507 . 0 0 "[ . 1 . 2 .]" 1
934 1 101 LYS HA 1 101 LYS HG2 2.500 . 3.300 3.017 2.264 3.705 0.405 1 0 "[ . 1 . 2 .]" 1
935 1 101 LYS HA 1 104 LEU H 4.200 . 5.500 3.703 3.062 4.448 . 0 0 "[ . 1 . 2 .]" 1
936 1 101 LYS HA 1 104 LEU QD 2.400 . 3.100 2.666 1.866 3.200 0.100 15 0 "[ . 1 . 2 .]" 1
937 1 101 LYS QB 1 101 LYS HG2 1.900 . 2.400 2.255 2.141 2.403 0.003 10 0 "[ . 1 . 2 .]" 1
938 1 101 LYS QB 1 102 ALA H 2.600 . 3.400 2.815 2.518 3.027 . 0 0 "[ . 1 . 2 .]" 1
939 1 102 ALA H 1 102 ALA HA 2.500 . 3.300 2.864 2.728 2.963 . 0 0 "[ . 1 . 2 .]" 1
940 1 102 ALA H 1 102 ALA MB 2.400 . 3.100 2.168 2.034 2.373 . 0 0 "[ . 1 . 2 .]" 1
941 1 102 ALA H 1 103 TRP H 2.600 . 3.400 2.636 2.324 2.957 . 0 0 "[ . 1 . 2 .]" 1
942 1 102 ALA H 1 103 TRP QB 3.300 . 4.700 4.421 4.011 4.697 . 0 0 "[ . 1 . 2 .]" 1
943 1 102 ALA H 1 104 LEU QD 4.200 . 5.500 4.736 4.101 5.481 . 0 0 "[ . 1 . 2 .]" 1
944 1 102 ALA HA 1 102 ALA MB 2.000 . 2.500 2.106 2.069 2.141 . 0 0 "[ . 1 . 2 .]" 1
945 1 102 ALA HA 1 105 ARG H 3.100 . 4.300 3.733 3.123 4.624 0.324 16 0 "[ . 1 . 2 .]" 1
946 1 102 ALA HA 1 105 ARG QB 2.600 . 3.400 3.148 2.341 3.697 0.297 8 0 "[ . 1 . 2 .]" 1
947 1 102 ALA HA 1 105 ARG QD 2.400 . 5.500 4.112 2.535 5.562 0.062 22 0 "[ . 1 . 2 .]" 1
948 1 102 ALA HA 1 106 ASP H 3.500 . 5.000 4.539 3.740 5.062 0.062 12 0 "[ . 1 . 2 .]" 1
949 1 102 ALA MB 1 103 TRP H 2.700 . 3.600 2.781 1.831 3.587 . 0 0 "[ . 1 . 2 .]" 1
950 1 102 ALA MB 1 104 LEU H 4.300 . 5.500 4.466 4.020 5.088 . 0 0 "[ . 1 . 2 .]" 1
951 1 103 TRP H 1 103 TRP HA 2.600 . 3.400 2.835 2.673 2.956 . 0 0 "[ . 1 . 2 .]" 1
952 1 103 TRP H 1 103 TRP QB 2.600 . 3.800 2.303 2.078 2.554 . 0 0 "[ . 1 . 2 .]" 1
953 1 103 TRP H 1 103 TRP HD1 2.700 . 3.600 2.888 1.808 3.744 0.144 8 0 "[ . 1 . 2 .]" 1
954 1 103 TRP H 1 104 LEU H 2.400 . 3.100 2.505 1.815 3.067 . 0 0 "[ . 1 . 2 .]" 1
955 1 103 TRP H 1 104 LEU HB2 3.200 . 5.500 4.778 3.807 5.821 0.321 12 0 "[ . 1 . 2 .]" 1
956 1 103 TRP H 1 104 LEU QD 2.800 . 5.500 4.184 2.944 5.619 0.119 5 0 "[ . 1 . 2 .]" 1
957 1 103 TRP H 1 105 ARG H 3.300 . 4.700 4.189 3.294 4.814 0.114 5 0 "[ . 1 . 2 .]" 1
958 1 103 TRP HA 1 103 TRP HD1 2.800 . 3.800 3.768 3.349 4.787 0.987 25 5 "[ . * - * 2 * +]" 1
959 1 103 TRP HA 1 103 TRP HE3 3.900 . 5.500 3.862 3.239 4.472 . 0 0 "[ . 1 . 2 .]" 1
960 1 103 TRP HA 1 106 ASP H 4.000 . 5.500 3.192 2.561 4.070 . 0 0 "[ . 1 . 2 .]" 1
961 1 103 TRP QB 1 103 TRP HD1 3.400 . 4.800 2.760 2.515 2.944 . 0 0 "[ . 1 . 2 .]" 1
962 1 103 TRP QB 1 103 TRP HE3 2.700 . 4.700 2.432 2.277 2.731 . 0 0 "[ . 1 . 2 .]" 1
963 1 103 TRP QB 1 104 LEU H 3.100 . 4.300 3.085 2.621 3.786 . 0 0 "[ . 1 . 2 .]" 1
964 1 103 TRP HE3 1 107 ILE MD 2.300 . 3.000 2.729 1.767 3.159 0.159 25 0 "[ . 1 . 2 .]" 1
965 1 104 LEU H 1 104 LEU HA 2.800 . 3.800 2.841 2.769 2.869 . 0 0 "[ . 1 . 2 .]" 1
966 1 104 LEU H 1 104 LEU HB2 2.400 . 3.100 2.509 2.048 3.602 0.502 18 1 "[ . 1 . + 2 .]" 1
967 1 104 LEU H 1 104 LEU HB3 2.800 . 3.800 3.160 2.165 3.576 . 0 0 "[ . 1 . 2 .]" 1
968 1 104 LEU H 1 104 LEU QD 2.500 . 3.300 2.714 1.975 3.440 0.140 22 0 "[ . 1 . 2 .]" 1
969 1 104 LEU H 1 105 ARG H 3.000 . 4.100 2.596 2.290 3.249 . 0 0 "[ . 1 . 2 .]" 1
970 1 104 LEU HA 1 104 LEU HB2 2.700 . 3.600 2.795 2.306 3.012 . 0 0 "[ . 1 . 2 .]" 1
971 1 104 LEU HA 1 104 LEU HB3 2.200 . 5.500 2.677 2.244 3.007 . 0 0 "[ . 1 . 2 .]" 1
972 1 104 LEU HA 1 104 LEU QD 2.100 . 5.500 2.518 1.796 3.461 . 0 0 "[ . 1 . 2 .]" 1
973 1 104 LEU HA 1 107 ILE H 3.500 . 5.000 3.549 2.913 4.202 . 0 0 "[ . 1 . 2 .]" 1
974 1 104 LEU HA 1 107 ILE HB 2.900 . 4.000 2.783 1.805 4.009 0.009 4 0 "[ . 1 . 2 .]" 1
975 1 104 LEU HB2 1 104 LEU QD 2.100 . 2.700 2.122 1.916 2.439 . 0 0 "[ . 1 . 2 .]" 1
976 1 104 LEU HB3 1 104 LEU QD 2.300 . 3.000 2.159 1.923 2.463 . 0 0 "[ . 1 . 2 .]" 1
977 1 104 LEU HB3 1 105 ARG H 3.200 . 4.500 3.193 1.874 4.362 0.026 5 0 "[ . 1 . 2 .]" 1
978 1 104 LEU HB3 1 106 ASP H 3.100 . 5.500 5.334 4.398 6.143 0.643 13 3 "[ . 1 + .* - 2 .]" 1
979 1 104 LEU QD 1 105 ARG QB 2.400 . 5.500 4.455 2.700 5.479 . 0 0 "[ . 1 . 2 .]" 1
980 1 105 ARG H 1 105 ARG HA 2.600 . 3.400 2.824 2.605 2.924 . 0 0 "[ . 1 . 2 .]" 1
981 1 105 ARG H 1 105 ARG HB2 2.200 . 2.800 2.549 2.117 3.415 0.615 16 1 "[ . 1 .+ 2 .]" 1
982 1 105 ARG H 1 105 ARG QD 3.900 . 5.500 4.347 3.110 4.872 . 0 0 "[ . 1 . 2 .]" 1
983 1 105 ARG H 1 105 ARG QG 3.400 . 4.800 3.449 1.958 4.070 0.042 3 0 "[ . 1 . 2 .]" 1
984 1 105 ARG H 1 106 ASP H 2.700 . 3.600 2.607 1.707 3.296 0.093 16 0 "[ . 1 . 2 .]" 1
985 1 105 ARG H 1 106 ASP QB 4.400 . 5.500 4.450 3.525 5.134 . 0 0 "[ . 1 . 2 .]" 1
986 1 105 ARG HA 1 105 ARG QB 2.100 . 2.700 2.383 2.269 2.531 . 0 0 "[ . 1 . 2 .]" 1
987 1 105 ARG HA 1 106 ASP H 3.200 . 4.500 3.526 3.432 3.596 . 0 0 "[ . 1 . 2 .]" 1
988 1 105 ARG HA 1 108 ALA H 3.200 . 4.500 3.319 2.810 3.788 . 0 0 "[ . 1 . 2 .]" 1
989 1 105 ARG HA 1 108 ALA MB 2.200 . 5.500 2.575 1.929 2.988 . 0 0 "[ . 1 . 2 .]" 1
990 1 105 ARG HA 1 109 GLU QG 3.200 . 4.500 3.966 2.958 4.603 0.103 24 0 "[ . 1 . 2 .]" 1
991 1 105 ARG QB 1 106 ASP H 2.200 . 2.800 2.630 2.325 3.072 0.272 25 0 "[ . 1 . 2 .]" 1
992 1 106 ASP H 1 106 ASP HA 2.800 . 3.800 2.840 2.790 2.886 . 0 0 "[ . 1 . 2 .]" 1
993 1 106 ASP H 1 106 ASP HB2 2.400 . 3.100 2.284 2.003 2.544 . 0 0 "[ . 1 . 2 .]" 1
994 1 106 ASP H 1 107 ILE H 2.700 . 3.600 2.593 2.379 2.841 . 0 0 "[ . 1 . 2 .]" 1
995 1 106 ASP H 1 107 ILE MG 3.100 . 5.500 5.348 4.423 5.690 0.190 2 0 "[ . 1 . 2 .]" 1
996 1 106 ASP HA 1 106 ASP QB 2.000 . 2.500 2.462 2.356 2.534 0.034 14 0 "[ . 1 . 2 .]" 1
997 1 106 ASP HA 1 107 ILE H 3.500 . 5.000 3.405 2.951 3.572 . 0 0 "[ . 1 . 2 .]" 1
998 1 106 ASP HA 1 109 GLU H 2.900 . 4.000 3.618 2.875 4.045 0.045 16 0 "[ . 1 . 2 .]" 1
999 1 106 ASP HA 1 110 GLU QB 2.700 . 5.500 5.089 1.603 5.692 0.192 15 0 "[ . 1 . 2 .]" 1
1000 1 106 ASP HB2 1 107 ILE H 2.700 . 3.600 3.259 2.193 4.088 0.488 21 0 "[ . 1 . 2 .]" 1
1001 1 107 ILE H 1 107 ILE HA 2.900 . 4.000 2.875 2.667 2.942 . 0 0 "[ . 1 . 2 .]" 1
1002 1 107 ILE H 1 107 ILE HB 2.500 . 3.300 2.298 2.148 2.663 . 0 0 "[ . 1 . 2 .]" 1
1003 1 107 ILE H 1 107 ILE MG 2.300 . 5.500 3.378 2.421 3.776 . 0 0 "[ . 1 . 2 .]" 1
1004 1 107 ILE H 1 108 ALA H 2.800 . 3.800 2.348 1.708 3.136 0.092 4 0 "[ . 1 . 2 .]" 1
1005 1 107 ILE H 1 108 ALA MB 3.200 . 4.500 3.973 3.329 4.633 0.133 7 0 "[ . 1 . 2 .]" 1
1006 1 107 ILE H 1 109 GLU H 3.300 . 4.700 3.816 2.573 4.632 . 0 0 "[ . 1 . 2 .]" 1
1007 1 107 ILE HA 1 107 ILE QG 2.500 . 3.300 2.364 2.237 2.745 . 0 0 "[ . 1 . 2 .]" 1
1008 1 107 ILE HA 1 107 ILE MG 2.600 . 3.400 2.819 2.512 3.212 . 0 0 "[ . 1 . 2 .]" 1
1009 1 107 ILE HA 1 108 ALA H 3.300 . 4.700 3.502 3.338 3.577 . 0 0 "[ . 1 . 2 .]" 1
1010 1 107 ILE HA 1 110 GLU H 3.500 . 5.000 4.210 3.491 5.049 0.049 25 0 "[ . 1 . 2 .]" 1
1011 1 107 ILE HB 1 107 ILE MD 2.200 . 2.800 2.373 2.173 2.525 . 0 0 "[ . 1 . 2 .]" 1
1012 1 107 ILE HB 1 107 ILE MG 2.000 . 2.500 2.103 2.066 2.127 . 0 0 "[ . 1 . 2 .]" 1
1013 1 107 ILE HB 1 108 ALA H 2.800 . 3.800 3.076 2.516 3.850 0.050 9 0 "[ . 1 . 2 .]" 1
1014 1 107 ILE HB 1 109 GLU H 3.900 . 5.500 5.136 4.505 5.545 0.045 15 0 "[ . 1 . 2 .]" 1
1015 1 107 ILE MG 1 108 ALA H 2.400 . 3.100 2.807 1.771 3.342 0.242 5 0 "[ . 1 . 2 .]" 1
1016 1 107 ILE MG 1 108 ALA HA 2.600 . 3.400 3.043 2.723 3.386 . 0 0 "[ . 1 . 2 .]" 1
1017 1 107 ILE MG 1 109 GLU H 3.100 . 4.300 4.459 4.022 5.126 0.826 25 4 "[ * . - * 2 +]" 1
1018 1 107 ILE MG 1 110 GLU H 3.100 . 5.500 5.223 4.401 5.758 0.258 6 0 "[ . 1 . 2 .]" 1
1019 1 108 ALA H 1 108 ALA HA 2.400 . 3.100 2.834 2.770 2.875 . 0 0 "[ . 1 . 2 .]" 1
1020 1 108 ALA H 1 108 ALA MB 2.100 . 2.700 2.117 1.982 2.257 . 0 0 "[ . 1 . 2 .]" 1
1021 1 108 ALA H 1 109 GLU H 2.500 . 3.300 2.564 2.303 2.807 . 0 0 "[ . 1 . 2 .]" 1
1022 1 108 ALA H 1 109 GLU QB 2.700 . 5.500 5.063 4.301 5.491 . 0 0 "[ . 1 . 2 .]" 1
1023 1 108 ALA HA 1 108 ALA MB 1.900 . 2.400 2.107 2.079 2.132 . 0 0 "[ . 1 . 2 .]" 1
1024 1 108 ALA HA 1 109 GLU H 2.900 . 4.000 3.428 3.261 3.570 . 0 0 "[ . 1 . 2 .]" 1
1025 1 108 ALA MB 1 109 GLU H 2.300 . 5.500 2.810 2.193 3.211 . 0 0 "[ . 1 . 2 .]" 1
1026 1 109 GLU H 1 109 GLU HA 2.500 . 3.300 2.862 2.827 2.895 . 0 0 "[ . 1 . 2 .]" 1
1027 1 109 GLU H 1 109 GLU QB 2.000 . 5.500 3.066 2.314 3.380 . 0 0 "[ . 1 . 2 .]" 1
1028 1 109 GLU H 1 109 GLU QG 2.800 . 3.800 2.442 1.960 2.693 . 0 0 "[ . 1 . 2 .]" 1
1029 1 110 GLU H 1 110 GLU HA 2.600 . 3.400 2.783 2.225 2.899 . 0 0 "[ . 1 . 2 .]" 1
1030 1 110 GLU H 1 110 GLU HB2 2.600 . 5.500 3.281 2.112 3.621 . 0 0 "[ . 1 . 2 .]" 1
1031 1 110 GLU H 1 110 GLU HB3 2.300 . 3.000 2.926 2.416 3.891 0.891 10 6 "[ **. * + . 2 *-.]" 1
1032 1 110 GLU H 1 110 GLU QG 2.600 . 3.400 2.462 1.643 3.680 0.280 20 0 "[ . 1 . 2 .]" 1
1033 1 110 GLU H 1 111 GLN H 2.900 . 5.500 4.348 2.714 4.701 . 0 0 "[ . 1 . 2 .]" 1
1034 1 110 GLU HA 1 110 GLU HB2 2.200 . 2.800 2.625 2.359 3.023 0.223 3 0 "[ . 1 . 2 .]" 1
1035 1 110 GLU HA 1 111 GLN H 3.400 . 4.800 2.405 2.007 3.584 . 0 0 "[ . 1 . 2 .]" 1
1036 1 111 GLN H 1 111 GLN HA 2.500 . 3.300 2.534 2.206 2.882 . 0 0 "[ . 1 . 2 .]" 1
1037 1 111 GLN H 1 111 GLN QB 2.300 . 3.000 2.601 2.097 3.065 0.065 19 0 "[ . 1 . 2 .]" 1
1038 1 111 GLN H 1 111 GLN QG 2.800 . 3.800 3.394 1.856 4.241 0.441 1 0 "[ . 1 . 2 .]" 1
1039 1 111 GLN H 1 112 GLU H 2.700 . 3.600 3.233 2.488 3.910 0.310 11 0 "[ . 1 . 2 .]" 1
1040 1 111 GLN HA 1 111 GLN QB 2.200 . 2.800 2.388 2.163 2.491 . 0 0 "[ . 1 . 2 .]" 1
1041 1 111 GLN HA 1 111 GLN QG 2.700 . 3.600 2.460 2.146 3.438 . 0 0 "[ . 1 . 2 .]" 1
1042 1 111 GLN HA 1 114 TYR QB 2.700 . 5.500 4.538 2.095 5.686 0.186 24 0 "[ . 1 . 2 .]" 1
1043 1 111 GLN QG 1 113 LYS HB3 2.400 . 5.500 5.223 2.308 6.259 0.759 25 3 "[ .* 1 .- 2 +]" 1
1044 1 112 GLU H 1 112 GLU QB 2.000 . 2.500 2.446 1.970 2.689 0.189 21 0 "[ . 1 . 2 .]" 1
1045 1 112 GLU H 1 112 GLU QG 2.400 . 3.100 2.377 1.716 3.606 0.506 3 1 "[ + . 1 . 2 .]" 1
1046 1 112 GLU HA 1 112 GLU QB 2.000 . 2.500 2.303 2.103 2.513 0.013 8 0 "[ . 1 . 2 .]" 1
1047 1 112 GLU HA 1 112 GLU QG 2.400 . 3.100 2.897 2.062 3.427 0.327 7 0 "[ . 1 . 2 .]" 1
1048 1 112 GLU QB 1 112 GLU HG2 1.800 . 2.200 2.113 2.047 2.135 . 0 0 "[ . 1 . 2 .]" 1
1049 1 113 LYS H 1 113 LYS HB2 2.300 . 3.000 2.435 2.110 3.506 0.506 17 1 "[ . 1 . + 2 .]" 1
1050 1 113 LYS H 1 113 LYS QD 2.100 . 2.700 2.131 1.785 2.829 0.129 5 0 "[ . 1 . 2 .]" 1
1051 1 113 LYS H 1 113 LYS QE 2.900 . 4.000 3.806 2.411 4.163 0.163 16 0 "[ . 1 . 2 .]" 1
1052 1 113 LYS H 1 113 LYS QG 3.200 . 4.500 3.064 1.945 3.554 . 0 0 "[ . 1 . 2 .]" 1
1053 1 113 LYS HA 1 113 LYS QD 2.400 . 3.100 2.736 1.998 3.225 0.125 9 0 "[ . 1 . 2 .]" 1
1054 1 114 TYR H 1 114 TYR HA 2.500 . 3.300 2.667 2.260 2.864 . 0 0 "[ . 1 . 2 .]" 1
1055 1 114 TYR H 1 114 TYR QB 2.300 . 3.000 2.399 2.147 3.076 0.076 7 0 "[ . 1 . 2 .]" 1
1056 1 114 TYR H 1 114 TYR QD 3.100 . 4.300 3.889 1.916 4.259 . 0 0 "[ . 1 . 2 .]" 1
1057 1 114 TYR H 1 115 ALA H 4.200 . 5.500 2.818 2.377 3.424 . 0 0 "[ . 1 . 2 .]" 1
1058 1 114 TYR HA 1 114 TYR QB 2.200 . 2.800 2.390 2.139 2.505 . 0 0 "[ . 1 . 2 .]" 1
1059 1 114 TYR HA 1 114 TYR QD 2.400 . 3.100 2.720 2.204 3.628 0.528 22 1 "[ . 1 . 2 + .]" 1
1060 1 114 TYR HA 1 115 ALA H 2.900 . 4.000 3.229 2.473 3.583 . 0 0 "[ . 1 . 2 .]" 1
1061 1 114 TYR QB 1 114 TYR QD 2.200 . 2.800 2.145 2.117 2.178 . 0 0 "[ . 1 . 2 .]" 1
1062 1 114 TYR QB 1 115 ALA H 2.800 . 5.500 2.982 1.856 4.039 . 0 0 "[ . 1 . 2 .]" 1
1063 1 114 TYR QD 1 115 ALA H 3.400 . 4.800 3.921 2.794 4.843 0.043 3 0 "[ . 1 . 2 .]" 1
1064 1 115 ALA H 1 115 ALA HA 2.500 . 3.300 2.812 2.254 2.954 . 0 0 "[ . 1 . 2 .]" 1
1065 1 115 ALA H 1 115 ALA MB 2.400 . 3.100 2.416 2.040 2.996 . 0 0 "[ . 1 . 2 .]" 1
1066 1 115 ALA HA 1 115 ALA MB 1.800 . 2.200 2.105 2.076 2.140 . 0 0 "[ . 1 . 2 .]" 1
1067 1 115 ALA HA 1 116 ALA H 2.900 . 4.000 2.776 2.108 3.557 . 0 0 "[ . 1 . 2 .]" 1
1068 1 115 ALA HA 1 116 ALA HA 5.500 . 5.500 4.605 4.333 5.358 . 0 0 "[ . 1 . 2 .]" 1
1069 1 116 ALA H 1 116 ALA HA 2.500 . 3.300 2.756 2.268 2.953 . 0 0 "[ . 1 . 2 .]" 1
1070 1 116 ALA H 1 116 ALA MB 2.300 . 3.000 2.428 2.019 3.002 0.002 19 0 "[ . 1 . 2 .]" 1
1071 1 116 ALA H 1 117 GLU H 5.500 . 5.500 3.326 2.261 4.607 . 0 0 "[ . 1 . 2 .]" 1
1072 1 116 ALA HA 1 116 ALA MB 2.000 . 2.500 2.109 2.073 2.146 . 0 0 "[ . 1 . 2 .]" 1
1073 1 117 GLU H 1 117 GLU HA 2.400 . 3.100 2.789 2.251 2.949 . 0 0 "[ . 1 . 2 .]" 1
1074 1 117 GLU H 1 117 GLU HB2 3.400 . 4.800 2.852 2.264 3.952 . 0 0 "[ . 1 . 2 .]" 1
1075 1 117 GLU H 1 117 GLU HB3 2.500 . 3.300 3.239 2.415 4.086 0.786 25 3 "[ * . 1 . - 2 +]" 1
1076 1 117 GLU H 1 117 GLU QG 2.900 . 4.000 3.070 1.954 4.034 0.034 4 0 "[ . 1 . 2 .]" 1
1077 1 117 GLU HA 1 117 GLU HB2 2.400 . 3.100 2.759 2.416 3.032 . 0 0 "[ . 1 . 2 .]" 1
1078 1 117 GLU HA 1 117 GLU HB3 2.500 . 3.300 2.640 2.333 3.026 . 0 0 "[ . 1 . 2 .]" 1
1079 1 117 GLU HA 1 117 GLU QG 2.600 . 3.400 2.658 2.221 3.361 . 0 0 "[ . 1 . 2 .]" 1
1080 1 117 GLU HA 1 118 ARG QB 2.100 . 5.500 4.345 3.912 5.056 . 0 0 "[ . 1 . 2 .]" 1
1081 1 117 GLU HB2 1 118 ARG QB 1.600 . 5.500 5.263 3.510 6.098 0.598 6 2 "[ .+ 1 . 2 -.]" 1
1082 1 118 ARG H 1 118 ARG HA 2.500 . 3.300 2.814 2.250 2.952 . 0 0 "[ . 1 . 2 .]" 1
1083 1 118 ARG H 1 118 ARG QB 2.900 . 4.000 2.684 2.126 3.392 . 0 0 "[ . 1 . 2 .]" 1
1084 1 118 ARG H 1 118 ARG QD 3.700 . 5.400 4.503 2.054 5.459 0.059 10 0 "[ . 1 . 2 .]" 1
1085 1 118 ARG H 1 118 ARG QG 3.200 . 4.500 3.714 2.202 4.351 . 0 0 "[ . 1 . 2 .]" 1
1086 1 118 ARG H 1 119 ASP QB 3.500 . 5.000 4.887 4.168 5.437 0.437 25 0 "[ . 1 . 2 .]" 1
1087 1 118 ARG QB 1 119 ASP H 2.500 . 3.300 2.384 1.702 3.274 . 0 0 "[ . 1 . 2 .]" 1
1088 1 118 ARG QD 1 119 ASP H 4.100 . 5.500 3.903 1.937 5.075 0.063 21 0 "[ . 1 . 2 .]" 1
1089 1 119 ASP H 1 119 ASP HA 2.300 . 3.000 2.836 2.264 2.943 . 0 0 "[ . 1 . 2 .]" 1
1090 1 119 ASP H 1 119 ASP QB 2.600 . 3.400 2.861 2.310 3.307 . 0 0 "[ . 1 . 2 .]" 1
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