NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
605104 | 2n3l | 25650 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3l 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 701 _Distance_constraint_stats_list.Viol_count 2938 _Distance_constraint_stats_list.Viol_total 32491.229 _Distance_constraint_stats_list.Viol_max 3.045 _Distance_constraint_stats_list.Viol_rms 0.3300 _Distance_constraint_stats_list.Viol_average_all_restraints 0.1159 _Distance_constraint_stats_list.Viol_average_violations_only 0.5529 _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 5 VAL 0.414 0.414 12 0 "[ . 1 . 2]" 1 6 ILE 0.000 0.000 . 0 "[ . 1 . 2]" 1 7 ARG 1.157 0.414 12 0 "[ . 1 . 2]" 1 8 GLU 2.179 0.358 4 0 "[ . 1 . 2]" 1 9 SER 10.987 0.943 18 4 "[ .*- 1 . +*2]" 1 10 VAL 11.655 0.722 18 3 "[* . *1 . + 2]" 1 11 SER 14.053 0.943 18 4 "[ .** 1 . +*2]" 1 12 ARG 9.488 0.687 1 2 "[+ . -1 . 2]" 1 13 ILE 26.486 1.724 1 15 "[+* ** ******* **- *]" 1 14 TYR 9.470 0.529 5 2 "[- + 1 . 2]" 1 15 VAL 1.000 0.235 8 0 "[ . 1 . 2]" 1 16 GLY 8.585 0.529 5 2 "[- + 1 . 2]" 1 17 ASN 5.204 0.505 4 1 "[ +. 1 . 2]" 1 18 LEU 11.986 0.800 3 12 "[**+ ******* -.* 2]" 1 19 PRO 6.428 0.902 20 5 "[ -. ** *. +]" 1 20 SER 5.377 0.902 20 4 "[ -. *1 *. +]" 1 21 HIS 1.573 0.516 19 2 "[ . - 1 . +2]" 1 22 VAL 15.313 1.082 14 11 "[- **. *** *+* **]" 1 23 SER 30.385 1.687 12 20 [**-********+********] 1 24 SER 19.177 0.901 13 16 "[*********-**+*. **]" 1 25 ARG 55.733 1.687 12 20 [*********-*+********] 1 26 ASP 17.135 0.730 3 13 "[**+*******- .* *]" 1 27 VAL 38.944 1.154 12 20 [***-*******+********] 1 28 GLU 30.050 1.055 16 16 "[* ***-***** ***+ * *]" 1 29 ASN 16.474 0.729 9 8 "[* ** *+1 .- **]" 1 30 GLU 26.769 1.651 6 20 [*****+******-*******] 1 31 PHE 57.227 1.724 1 19 "[+**-************** *]" 1 32 ARG 38.947 1.651 6 20 [*****+************-*] 1 33 LYS 187.791 3.045 16 20 [*****-*********+****] 1 34 TYR 39.584 1.283 13 16 "[ **-.****** +*** ***]" 1 35 GLY 13.333 1.523 12 5 "[ * . -1 + . * *]" 1 36 ASN 4.262 0.857 11 2 "[ . 1+ - . 2]" 1 37 ILE 87.247 2.465 16 20 [*****-*********+****] 1 38 LEU 36.540 2.664 9 20 [******-*+***********] 1 39 LYS 33.860 1.071 12 20 [***********+*****-**] 1 40 CYS 22.072 1.331 15 17 "[** ******* * *+**-**]" 1 41 ASP 12.394 0.850 14 7 "[ **. *1- *+.* 2]" 1 42 VAL 45.689 1.695 4 20 [***+***-************] 1 43 LYS 103.105 2.142 17 20 [*****-**********+***] 1 44 LYS 103.847 2.142 17 20 [***************-+***] 1 45 THR 57.351 1.677 19 20 [***************-**+*] 1 46 VAL 14.524 1.250 19 10 "[ .* * 1 **-***+*]" 1 47 SER 0.321 0.142 5 0 "[ . 1 . 2]" 1 48 GLY 1.114 0.446 6 0 "[ . 1 . 2]" 1 49 ALA 15.184 0.800 3 12 "[**+-******* .* 2]" 1 50 ALA 23.715 0.905 14 16 "[*****-* ****+**** 2]" 1 51 PHE 97.704 1.260 1 20 [+*********-*********] 1 52 ALA 46.777 1.695 4 20 [***+********-*******] 1 53 PHE 29.688 1.331 15 16 "[** *****- * *+*****]" 1 54 ILE 128.664 2.685 17 20 [************-***+***] 1 55 GLU 13.613 0.723 15 5 "[ * * - 1* + 2]" 1 56 PHE 56.979 2.734 6 20 [*****+*********-****] 1 57 GLU 3.639 0.593 13 2 "[ . - 1 + . 2]" 1 58 ASP 36.187 2.664 9 20 [***-****+***********] 1 59 ALA 19.297 0.752 12 8 "[ * . -****+ . * 2]" 1 60 ARG 22.655 1.050 18 20 [******-**********+**] 1 61 ASP 2.998 0.387 3 0 "[ . 1 . 2]" 1 62 ALA 124.826 3.045 16 20 [***-***********+****] 1 63 ALA 21.951 0.943 14 18 "[****** ******+*** -*]" 1 64 ASP 30.702 2.343 13 20 [*****-******+*******] 1 65 ALA 112.137 2.734 6 20 [*****+****-*********] 1 66 ILE 119.204 1.954 8 20 [*****-*+************] 1 67 LYS 81.415 1.641 10 20 [******-**+**********] 1 68 GLU 47.232 1.560 14 20 [*********-***+******] 1 69 LYS 60.219 1.520 17 20 [*********-******+***] 1 70 ASP 73.594 2.150 14 20 [*************+******] 1 71 GLY 10.382 1.154 20 9 "[ . 1 *-******+]" 1 72 CYS 161.372 2.806 13 20 [*****-******+*******] 1 73 ASP 4.811 0.559 20 1 "[ . 1 . +]" 1 74 PHE 63.063 1.594 20 20 [*****************-*+] 1 75 GLU 10.894 0.979 14 8 "[****. * 1 +.* - 2]" 1 76 GLY 30.655 1.222 16 19 "[****-***** ****+****]" 1 77 ASN 13.126 0.846 6 8 "[****.+** 1 . -2]" 1 78 LYS 33.716 1.594 20 20 [****-**************+] 1 79 LEU 61.301 2.806 13 20 [******-*****+*******] 1 80 ARG 55.513 2.369 20 20 [*********-*********+] 1 81 VAL 73.217 2.150 14 17 "[ * **-**** **+******]" 1 82 GLU 83.711 2.767 18 20 [*****-***********+**] 1 83 VAL 2.199 0.547 16 1 "[ . 1 .+ 2]" 1 84 PRO 2.052 0.254 19 0 "[ . 1 . 2]" 1 85 PHE 85.373 2.685 17 20 [************-***+***] 1 86 ASN 18.336 1.008 18 12 "[ *-* 1 ******+**]" 1 87 ALA 11.568 0.713 1 6 "[+ ** - ** 2]" 1 88 ARG 20.163 0.752 12 11 "[** *. ***-*+ .* * 2]" 1 89 GLU 7.086 0.713 1 3 "[+ -.* 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 59 ALA H 1 61 ASP H . . 5.500 4.694 4.108 5.407 . 0 0 "[ . 1 . 2]" 1 2 1 43 LYS H 1 51 PHE H . . 4.210 3.747 3.492 3.937 . 0 0 "[ . 1 . 2]" 1 3 1 43 LYS H 1 44 LYS H . . 5.000 4.596 4.470 4.698 . 0 0 "[ . 1 . 2]" 1 4 1 43 LYS H 1 50 ALA MB . . 5.000 5.352 5.023 5.557 0.557 10 6 "[ * .-* +* . * 2]" 1 5 1 59 ALA H 1 88 ARG QG . . 3.760 3.731 2.697 4.512 0.752 12 3 "[ . * -1 + . 2]" 1 6 1 41 ASP H 1 53 PHE H . . 4.130 3.498 3.280 3.673 . 0 0 "[ . 1 . 2]" 1 7 1 40 CYS H 1 41 ASP H . . 4.230 4.093 3.842 4.347 0.117 18 0 "[ . 1 . 2]" 1 8 1 41 ASP H 1 42 VAL HA . . 5.500 4.923 4.708 5.316 . 0 0 "[ . 1 . 2]" 1 9 1 40 CYS QB 1 41 ASP H . . 4.610 3.518 3.180 3.803 . 0 0 "[ . 1 . 2]" 1 10 1 74 PHE H 1 76 GLY H . . 4.740 5.589 5.065 5.962 1.222 16 18 "[*****-***1 ****+****]" 1 11 1 73 ASP H 1 74 PHE H . . 4.980 4.418 4.284 4.526 . 0 0 "[ . 1 . 2]" 1 12 1 74 PHE H 1 77 ASN QB . . 4.720 3.900 3.407 4.291 . 0 0 "[ . 1 . 2]" 1 13 1 74 PHE H 1 78 LYS QE . . 5.000 5.770 5.532 6.594 1.594 20 20 [*-*****************+] 1 14 1 72 CYS QB 1 74 PHE H . . 5.000 6.004 4.897 6.585 1.585 9 18 "[**-*****+1 *********]" 1 15 1 74 PHE H 1 75 GLU H . . 4.640 4.258 4.130 4.377 . 0 0 "[ . 1 . 2]" 1 16 1 79 LEU H 1 79 LEU QB . . 3.830 2.885 2.772 2.999 . 0 0 "[ . 1 . 2]" 1 17 1 78 LYS QG 1 79 LEU H . . 4.650 4.164 3.870 4.871 0.221 20 0 "[ . 1 . 2]" 1 18 1 79 LEU H 1 79 LEU HG . . 4.000 4.471 4.295 4.714 0.714 17 7 "[ * .*- 1 * * +* 2]" 1 19 1 78 LYS H 1 79 LEU H . . 5.200 4.350 4.249 4.515 . 0 0 "[ . 1 . 2]" 1 20 1 79 LEU H 1 80 ARG HA . . 5.500 4.251 3.955 4.511 . 0 0 "[ . 1 . 2]" 1 21 1 71 GLY H 1 81 VAL H . . 4.860 5.375 4.777 6.014 1.154 20 9 "[ . 1 *-******+]" 1 22 1 70 ASP HA 1 81 VAL H . . 4.870 4.854 4.347 5.579 0.709 14 2 "[ . 1 +. - 2]" 1 23 1 81 VAL H 1 82 GLU QB . . 5.500 4.207 3.794 4.418 . 0 0 "[ . 1 . 2]" 1 24 1 80 ARG QD 1 81 VAL H . . 5.500 3.073 2.462 3.787 . 0 0 "[ . 1 . 2]" 1 25 1 70 ASP QB 1 81 VAL H . . 5.000 5.964 5.237 7.150 2.150 14 12 "[ ** - **+******]" 1 26 1 38 LEU H 1 56 PHE HA . . 5.070 2.699 1.833 3.735 . 0 0 "[ . 1 . 2]" 1 27 1 38 LEU H 1 55 GLU H . . 5.030 4.620 4.273 4.967 . 0 0 "[ . 1 . 2]" 1 28 1 38 LEU H 1 58 ASP H . . 5.000 6.677 5.820 7.664 2.664 9 20 [***-****+***********] 1 29 1 38 LEU H 1 39 LYS H . . 3.590 2.182 1.890 2.791 . 0 0 "[ . 1 . 2]" 1 30 1 38 LEU H 1 38 LEU QB . . 3.820 2.613 2.210 3.100 . 0 0 "[ . 1 . 2]" 1 31 1 38 LEU H 1 38 LEU QD . . 5.150 2.750 1.920 3.235 . 0 0 "[ . 1 . 2]" 1 32 1 37 ILE H 1 38 LEU QD . . 5.500 4.651 4.185 5.708 0.208 4 0 "[ . 1 . 2]" 1 33 1 35 GLY QA 1 37 ILE H . . 4.750 5.005 4.618 5.463 0.713 20 4 "[ . -1 * . * +]" 1 34 1 28 GLU HA 1 37 ILE H . . 5.440 5.975 5.345 6.495 1.055 16 13 "[* **-* ** ***+ * *]" 1 35 1 33 LYS HA 1 37 ILE H . . 5.000 6.786 5.988 7.465 2.465 16 20 [***-***********+****] 1 36 1 37 ILE H 1 38 LEU H . . 5.370 4.593 4.415 4.764 . 0 0 "[ . 1 . 2]" 1 37 1 6 ILE HB 1 7 ARG H . . 4.860 3.873 2.023 4.595 . 0 0 "[ . 1 . 2]" 1 38 1 6 ILE MG 1 7 ARG H . . 4.700 3.717 2.351 4.488 . 0 0 "[ . 1 . 2]" 1 39 1 5 VAL QG 1 7 ARG H . . 5.000 4.336 2.929 5.414 0.414 12 0 "[ . 1 . 2]" 1 40 1 15 VAL H 1 15 VAL QG . . 4.090 2.432 2.180 2.997 . 0 0 "[ . 1 . 2]" 1 41 1 7 ARG H 1 8 GLU QB . . 5.110 4.649 3.576 5.404 0.294 3 0 "[ . 1 . 2]" 1 42 1 56 PHE H 1 57 GLU H . . 5.500 4.590 4.490 4.664 . 0 0 "[ . 1 . 2]" 1 43 1 39 LYS QE 1 40 CYS H . . 4.660 4.820 4.147 5.465 0.805 4 2 "[ +. 1 . - 2]" 1 44 1 39 LYS H 1 40 CYS H . . 5.050 4.291 4.168 4.439 . 0 0 "[ . 1 . 2]" 1 45 1 39 LYS QG 1 40 CYS H . . 5.500 3.275 2.604 4.500 . 0 0 "[ . 1 . 2]" 1 46 1 14 TYR H 1 15 VAL H . . 5.390 4.407 4.203 4.587 . 0 0 "[ . 1 . 2]" 1 47 1 49 ALA H 1 50 ALA H . . 5.040 4.575 4.503 4.635 . 0 0 "[ . 1 . 2]" 1 48 1 45 THR H 1 49 ALA H . . 4.450 4.311 3.847 4.890 0.440 3 0 "[ . 1 . 2]" 1 49 1 48 GLY H 1 49 ALA H . . 3.590 2.673 2.366 2.959 . 0 0 "[ . 1 . 2]" 1 50 1 13 ILE HB 1 14 TYR H . . 4.590 4.088 3.888 4.276 . 0 0 "[ . 1 . 2]" 1 51 1 12 ARG H 1 13 ILE H . . 5.500 4.538 4.400 4.653 . 0 0 "[ . 1 . 2]" 1 52 1 12 ARG H 1 13 ILE QG . . 5.500 4.759 4.507 5.092 . 0 0 "[ . 1 . 2]" 1 53 1 10 VAL QG 1 12 ARG H . . 5.500 4.853 4.162 5.305 . 0 0 "[ . 1 . 2]" 1 54 1 53 PHE QB 1 54 ILE H . . 4.600 3.819 3.501 4.018 . 0 0 "[ . 1 . 2]" 1 55 1 73 ASP H 1 74 PHE QD . . 5.500 5.152 4.443 5.980 0.480 6 0 "[ . 1 . 2]" 1 56 1 79 LEU HG 1 80 ARG H . . 4.770 4.710 4.204 5.055 0.285 8 0 "[ . 1 . 2]" 1 57 1 78 LYS QG 1 80 ARG H . . 5.000 5.475 5.019 6.184 1.184 20 10 "[ . *-****** *+]" 1 58 1 79 LEU MD2 1 80 ARG H . . 4.860 4.658 3.941 5.545 0.685 18 4 "[ - . * 1 * . + 2]" 1 59 1 79 LEU H 1 80 ARG H . . 5.280 3.262 3.004 3.920 . 0 0 "[ . 1 . 2]" 1 60 1 79 LEU HA 1 80 ARG H . . 3.510 2.636 2.383 2.795 . 0 0 "[ . 1 . 2]" 1 61 1 72 CYS QB 1 73 ASP H . . 4.260 3.288 2.830 3.679 . 0 0 "[ . 1 . 2]" 1 62 1 64 ASP H 1 65 ALA H . . 3.540 2.941 2.608 3.351 . 0 0 "[ . 1 . 2]" 1 63 1 65 ALA H 1 66 ILE H . . 5.000 2.750 2.476 3.016 . 0 0 "[ . 1 . 2]" 1 64 1 34 TYR QD 1 65 ALA H . . 5.460 3.649 2.652 5.245 . 0 0 "[ . 1 . 2]" 1 65 1 33 LYS QE 1 65 ALA H . . 4.430 5.076 3.858 6.050 1.620 13 14 "[* *** ** -* +*** **2]" 1 66 1 65 ALA H 1 66 ILE HA . . 5.500 5.253 5.079 5.460 . 0 0 "[ . 1 . 2]" 1 67 1 34 TYR QE 1 65 ALA H . . 5.500 4.308 3.164 5.599 0.099 20 0 "[ . 1 . 2]" 1 68 1 62 ALA H 1 65 ALA H . . 5.000 5.682 5.291 5.940 0.940 1 17 "[+**-********* .*** *]" 1 69 1 81 VAL HB 1 82 GLU H . . 5.300 4.277 3.505 4.625 . 0 0 "[ . 1 . 2]" 1 70 1 82 GLU H 1 82 GLU HG3 . . 5.000 4.310 2.474 4.855 . 0 0 "[ . 1 . 2]" 1 71 1 66 ILE MD 1 82 GLU H . . 5.500 3.627 2.877 4.794 . 0 0 "[ . 1 . 2]" 1 72 1 81 VAL QG 1 82 GLU H . . 4.680 2.968 2.703 3.598 . 0 0 "[ . 1 . 2]" 1 73 1 66 ILE MG 1 82 GLU H . . 5.000 6.125 5.493 6.954 1.954 8 19 "[-******+ ***********]" 1 74 1 31 PHE H 1 32 ARG H . . 3.560 2.642 2.455 2.866 . 0 0 "[ . 1 . 2]" 1 75 1 30 GLU H 1 32 ARG H . . 5.330 4.257 3.822 4.734 . 0 0 "[ . 1 . 2]" 1 76 1 32 ARG H 1 34 TYR H . . 5.000 4.315 3.984 4.661 . 0 0 "[ . 1 . 2]" 1 77 1 32 ARG H 1 35 GLY H . . 5.500 5.165 4.693 6.132 0.632 9 1 "[ . +1 . 2]" 1 78 1 32 ARG H 1 34 TYR QD . . 5.000 5.273 4.824 5.723 0.723 3 4 "[ + . *-* . 2]" 1 79 1 32 ARG H 1 32 ARG HB3 . . 3.830 2.760 2.368 3.943 0.113 6 0 "[ . 1 . 2]" 1 80 1 32 ARG H 1 33 LYS QG . . 5.500 5.578 4.546 6.451 0.951 1 7 "[+* *- *** . 2]" 1 81 1 27 VAL H 1 28 GLU H . . 3.570 2.758 2.408 3.054 . 0 0 "[ . 1 . 2]" 1 82 1 28 GLU H 1 30 GLU H . . 5.220 4.883 4.354 5.494 0.274 1 0 "[ . 1 . 2]" 1 83 1 28 GLU H 1 28 GLU QG . . 3.890 3.809 3.069 4.206 0.316 8 0 "[ . 1 . 2]" 1 84 1 25 ARG HA 1 28 GLU H . . 5.500 3.563 3.289 4.043 . 0 0 "[ . 1 . 2]" 1 85 1 78 LYS H 1 78 LYS QE . . 5.110 3.850 2.328 4.798 . 0 0 "[ . 1 . 2]" 1 86 1 77 ASN QB 1 78 LYS H . . 4.610 3.438 3.215 3.877 . 0 0 "[ . 1 . 2]" 1 87 1 78 LYS H 1 78 LYS HB2 . . 3.640 2.580 2.209 3.831 0.191 11 0 "[ . 1 . 2]" 1 88 1 78 LYS H 1 78 LYS QD . . 4.000 3.195 2.041 4.491 0.491 6 0 "[ . 1 . 2]" 1 89 1 85 PHE H 1 86 ASN HA . . 3.820 4.329 4.003 4.828 1.008 18 11 "[ .-* 1 ******+**]" 1 90 1 23 SER HA 1 25 ARG H . . 4.170 4.757 4.331 5.087 0.917 14 13 "[*********** +- 2]" 1 91 1 23 SER HB3 1 25 ARG H . . 4.230 3.947 3.036 4.774 0.544 2 2 "[ + - 1 . 2]" 1 92 1 25 ARG QG 1 28 GLU H . . 5.500 5.342 4.968 6.083 0.583 9 1 "[ . +1 . 2]" 1 93 1 74 PHE H 1 77 ASN H . . 4.050 4.104 3.391 4.510 0.460 15 0 "[ . 1 . 2]" 1 94 1 77 ASN H 1 77 ASN QB . . 3.820 2.680 2.447 3.054 . 0 0 "[ . 1 . 2]" 1 95 1 77 ASN H 1 78 LYS QE . . 4.320 4.048 3.310 4.707 0.387 3 0 "[ . 1 . 2]" 1 96 1 82 GLU H 1 83 VAL H . . 4.820 4.276 4.190 4.382 . 0 0 "[ . 1 . 2]" 1 97 1 82 GLU QB 1 83 VAL H . . 4.050 3.470 2.412 3.981 . 0 0 "[ . 1 . 2]" 1 98 1 82 GLU HG2 1 83 VAL H . . 4.840 3.814 2.427 5.387 0.547 16 1 "[ . 1 .+ 2]" 1 99 1 66 ILE MG 1 83 VAL H . . 4.370 3.918 3.585 4.251 . 0 0 "[ . 1 . 2]" 1 100 1 82 GLU HG3 1 83 VAL H . . 4.240 3.650 2.973 4.761 0.521 16 1 "[ . 1 .+ 2]" 1 101 1 61 ASP H 1 63 ALA MB . . 5.220 4.692 4.204 5.136 . 0 0 "[ . 1 . 2]" 1 102 1 60 ARG H 1 61 ASP H . . 3.640 2.694 2.492 3.074 . 0 0 "[ . 1 . 2]" 1 103 1 61 ASP H 1 62 ALA H . . 3.730 2.758 2.364 3.175 . 0 0 "[ . 1 . 2]" 1 104 1 57 GLU H 1 58 ASP H . . 4.370 2.658 2.456 3.100 . 0 0 "[ . 1 . 2]" 1 105 1 38 LEU H 1 57 GLU H . . 5.200 4.235 3.326 5.042 . 0 0 "[ . 1 . 2]" 1 106 1 86 ASN H 1 87 ALA H . . 3.780 3.371 2.635 4.092 0.312 15 0 "[ . 1 . 2]" 1 107 1 45 THR HA 1 46 VAL H . . 3.570 2.513 2.401 2.735 . 0 0 "[ . 1 . 2]" 1 108 1 44 LYS QD 1 46 VAL H . . 5.500 6.001 5.364 6.750 1.250 19 10 "[ .* * 1 **-***+*]" 1 109 1 44 LYS QG 1 46 VAL H . . 5.500 5.330 4.926 5.815 0.315 8 0 "[ . 1 . 2]" 1 110 1 52 ALA H 1 53 PHE H . . 5.280 4.394 4.240 4.533 . 0 0 "[ . 1 . 2]" 1 111 1 51 PHE H 1 52 ALA H . . 5.060 4.448 4.346 4.562 . 0 0 "[ . 1 . 2]" 1 112 1 45 THR HB 1 46 VAL H . . 3.730 3.814 3.746 3.957 0.227 6 0 "[ . 1 . 2]" 1 113 1 46 VAL H 1 46 VAL MG2 . . 4.640 1.954 1.856 2.095 . 0 0 "[ . 1 . 2]" 1 114 1 88 ARG H 1 89 GLU H . . 4.740 3.433 1.868 4.695 . 0 0 "[ . 1 . 2]" 1 115 1 63 ALA H 1 64 ASP H . . 3.970 3.103 2.822 3.384 . 0 0 "[ . 1 . 2]" 1 116 1 33 LYS QE 1 64 ASP H . . 4.860 6.260 5.400 7.203 2.343 13 20 [*****-******+*******] 1 117 1 87 ALA MB 1 88 ARG H . . 5.500 2.772 1.955 3.768 . 0 0 "[ . 1 . 2]" 1 118 1 10 VAL H 1 11 SER HA . . 4.770 4.780 4.210 5.492 0.722 18 1 "[ . 1 . + 2]" 1 119 1 10 VAL H 1 11 SER QB . . 5.500 5.467 5.046 6.003 0.503 18 1 "[ . 1 . + 2]" 1 120 1 62 ALA H 1 63 ALA MB . . 4.370 4.376 4.127 4.757 0.387 6 0 "[ . 1 . 2]" 1 121 1 33 LYS QE 1 62 ALA H . . 5.500 6.875 5.546 8.281 2.781 16 17 "[- *** ** ******+****]" 1 122 1 27 VAL H 1 29 ASN H . . 4.890 4.510 4.206 4.700 . 0 0 "[ . 1 . 2]" 1 123 1 25 ARG QD 1 27 VAL H . . 5.260 5.237 4.921 5.884 0.624 9 1 "[ . +1 . 2]" 1 124 1 26 ASP QB 1 27 VAL H . . 5.000 2.748 2.219 3.934 . 0 0 "[ . 1 . 2]" 1 125 1 23 SER H 1 27 VAL H . . 5.500 4.525 3.883 4.867 . 0 0 "[ . 1 . 2]" 1 126 1 25 ARG H 1 27 VAL H . . 5.500 4.381 3.982 4.902 . 0 0 "[ . 1 . 2]" 1 127 1 27 VAL H 1 28 GLU HA . . 5.500 5.280 5.004 5.489 . 0 0 "[ . 1 . 2]" 1 128 1 72 CYS H 1 82 GLU QB . . 5.150 5.852 5.605 6.472 1.322 14 18 "[** **-*******+** ***]" 1 129 1 72 CYS H 1 73 ASP H . . 5.060 4.559 4.491 4.612 . 0 0 "[ . 1 . 2]" 1 130 1 60 ARG H 1 88 ARG QG . . 5.020 3.696 2.003 5.109 0.089 1 0 "[ . 1 . 2]" 1 131 1 59 ALA H 1 60 ARG H . . 3.780 2.782 2.547 3.080 . 0 0 "[ . 1 . 2]" 1 132 1 60 ARG H 1 62 ALA H . . 5.270 4.377 3.924 4.729 . 0 0 "[ . 1 . 2]" 1 133 1 22 VAL H 1 23 SER H . . 5.210 4.531 4.323 4.650 . 0 0 "[ . 1 . 2]" 1 134 1 23 SER H 1 23 SER HB2 . . 4.110 2.763 2.472 3.349 . 0 0 "[ . 1 . 2]" 1 135 1 22 VAL QG 1 23 SER H . . 5.500 3.432 2.509 3.927 . 0 0 "[ . 1 . 2]" 1 136 1 72 CYS H 1 82 GLU H . . 5.070 7.280 6.785 7.837 2.767 18 20 [**-**************+**] 1 137 1 72 CYS H 1 79 LEU H . . 5.000 7.315 5.761 7.806 2.806 13 20 [**********-*+*******] 1 138 1 71 GLY H 1 72 CYS H . . 3.820 2.074 1.917 2.246 . 0 0 "[ . 1 . 2]" 1 139 1 72 CYS H 1 80 ARG H . . 5.390 7.223 6.774 7.759 2.369 20 20 [*********-*********+] 1 140 1 23 SER H 1 23 SER HB3 . . 3.740 3.535 3.275 3.658 . 0 0 "[ . 1 . 2]" 1 141 1 23 SER H 1 25 ARG QD . . 4.810 5.603 5.212 6.497 1.687 12 19 [**-******1*+********] 1 142 1 70 ASP H 1 71 GLY H . . 5.110 4.683 4.630 4.746 . 0 0 "[ . 1 . 2]" 1 143 1 69 LYS H 1 70 ASP H . . 3.640 2.693 2.333 3.006 . 0 0 "[ . 1 . 2]" 1 144 1 69 LYS QB 1 70 ASP H . . 4.990 3.883 3.327 4.202 . 0 0 "[ . 1 . 2]" 1 145 1 70 ASP H 1 81 VAL HB . . 5.000 5.075 4.646 5.336 0.336 14 0 "[ . 1 . 2]" 1 146 1 66 ILE MD 1 70 ASP H . . 5.500 5.021 3.705 6.145 0.645 7 4 "[ * +* 1- . 2]" 1 147 1 70 ASP H 1 81 VAL QG . . 5.000 4.382 3.780 4.833 . 0 0 "[ . 1 . 2]" 1 148 1 25 ARG HB3 1 26 ASP H . . 3.860 3.240 2.439 4.225 0.365 6 0 "[ . 1 . 2]" 1 149 1 30 GLU H 1 31 PHE H . . 3.780 2.829 2.489 3.138 . 0 0 "[ . 1 . 2]" 1 150 1 27 VAL HA 1 30 GLU H . . 5.030 4.067 3.399 4.477 . 0 0 "[ . 1 . 2]" 1 151 1 30 GLU H 1 31 PHE QB . . 5.000 4.856 4.314 5.315 0.315 7 0 "[ . 1 . 2]" 1 152 1 30 GLU H 1 30 GLU QG . . 4.430 4.055 3.889 4.159 . 0 0 "[ . 1 . 2]" 1 153 1 23 SER H 1 26 ASP H . . 4.650 4.046 3.637 4.388 . 0 0 "[ . 1 . 2]" 1 154 1 26 ASP H 1 28 GLU H . . 5.170 4.148 3.608 4.503 . 0 0 "[ . 1 . 2]" 1 155 1 25 ARG QD 1 26 ASP H . . 4.540 3.000 2.525 3.906 . 0 0 "[ . 1 . 2]" 1 156 1 25 ARG HB2 1 26 ASP H . . 3.750 3.921 2.647 4.480 0.730 3 9 "[*-+** ** ** . 2]" 1 157 1 25 ARG H 1 26 ASP H . . 3.790 2.885 2.392 3.242 . 0 0 "[ . 1 . 2]" 1 158 1 50 ALA H 1 51 PHE H . . 5.050 4.543 4.434 4.639 . 0 0 "[ . 1 . 2]" 1 159 1 43 LYS QB 1 51 PHE H . . 4.070 4.238 3.756 4.528 0.458 11 0 "[ . 1 . 2]" 1 160 1 43 LYS QG 1 51 PHE H . . 5.000 5.756 5.180 6.260 1.260 1 16 "[+********** *-.* * *]" 1 161 1 45 THR H 1 51 PHE H . . 5.000 4.674 4.454 5.022 0.022 14 0 "[ . 1 . 2]" 1 162 1 44 LYS H 1 45 THR H . . 5.080 4.470 4.268 4.551 . 0 0 "[ . 1 . 2]" 1 163 1 43 LYS QB 1 44 LYS H . . 3.940 2.958 2.453 3.412 . 0 0 "[ . 1 . 2]" 1 164 1 43 LYS QG 1 44 LYS H . . 5.000 4.369 4.062 4.760 . 0 0 "[ . 1 . 2]" 1 165 1 24 SER H 1 42 VAL HB . . 5.440 5.012 3.485 6.047 0.607 12 1 "[ . 1 + . 2]" 1 166 1 24 SER H 1 25 ARG H . . 3.890 3.023 2.676 3.265 . 0 0 "[ . 1 . 2]" 1 167 1 24 SER H 1 26 ASP H . . 5.500 4.585 4.223 4.876 . 0 0 "[ . 1 . 2]" 1 168 1 23 SER HA 1 24 SER H . . 3.440 2.530 2.409 2.741 . 0 0 "[ . 1 . 2]" 1 169 1 23 SER HB2 1 24 SER H . . 3.710 3.428 2.693 3.833 0.123 8 0 "[ . 1 . 2]" 1 170 1 24 SER H 1 25 ARG HA . . 5.000 5.530 5.274 5.687 0.687 2 12 "[*+*******-* *. 2]" 1 171 1 23 SER HB3 1 24 SER H . . 3.780 2.830 2.298 3.332 . 0 0 "[ . 1 . 2]" 1 172 1 10 VAL H 1 11 SER H . . 4.410 4.212 3.873 4.521 0.111 19 0 "[ . 1 . 2]" 1 173 1 9 SER QB 1 11 SER H . . 5.030 5.090 4.518 5.973 0.943 18 3 "[ . - 1 . +*2]" 1 174 1 67 LYS H 1 67 LYS QD . . 4.000 3.930 3.730 4.168 0.168 14 0 "[ . 1 . 2]" 1 175 1 66 ILE MD 1 67 LYS H . . 4.200 4.412 4.105 4.749 0.549 6 2 "[ .+ -1 . 2]" 1 176 1 66 ILE MG 1 67 LYS H . . 5.000 2.350 2.010 2.824 . 0 0 "[ . 1 . 2]" 1 177 1 67 LYS H 1 68 GLU H . . 3.990 2.877 2.535 3.261 . 0 0 "[ . 1 . 2]" 1 178 1 61 ASP H 1 63 ALA H . . 5.270 4.129 3.618 4.473 . 0 0 "[ . 1 . 2]" 1 179 1 62 ALA H 1 63 ALA H . . 3.860 2.753 2.482 3.163 . 0 0 "[ . 1 . 2]" 1 180 1 60 ARG H 1 63 ALA H . . 5.500 5.081 4.658 5.601 0.101 6 0 "[ . 1 . 2]" 1 181 1 33 LYS H 1 34 TYR H . . 4.290 2.888 2.588 3.373 . 0 0 "[ . 1 . 2]" 1 182 1 64 ASP HA 1 67 LYS H . . 5.000 3.853 3.302 4.493 . 0 0 "[ . 1 . 2]" 1 183 1 67 LYS H 1 70 ASP HA . . 5.000 6.319 5.968 6.641 1.641 10 20 [***-*****+**********] 1 184 1 32 ARG H 1 33 LYS H . . 4.250 2.956 2.618 3.500 . 0 0 "[ . 1 . 2]" 1 185 1 66 ILE H 1 66 ILE MD . . 4.000 4.537 4.040 4.753 0.753 11 12 "[******** *+ -* 2]" 1 186 1 39 LYS H 1 55 GLU QG . . 4.860 4.151 3.561 4.925 0.065 8 0 "[ . 1 . 2]" 1 187 1 56 PHE HA 1 58 ASP H . . 5.500 4.323 3.869 4.685 . 0 0 "[ . 1 . 2]" 1 188 1 9 SER H 1 10 VAL H . . 4.630 4.209 1.980 4.673 0.043 12 0 "[ . 1 . 2]" 1 189 1 8 GLU QG 1 9 SER H . . 5.500 3.760 1.824 4.993 . 0 0 "[ . 1 . 2]" 1 190 1 34 TYR H 1 34 TYR QD . . 2.750 2.654 1.937 3.043 0.293 7 0 "[ . 1 . 2]" 1 191 1 34 TYR H 1 35 GLY H . . 3.520 2.639 2.272 2.973 . 0 0 "[ . 1 . 2]" 1 192 1 31 PHE HA 1 34 TYR H . . 5.500 3.163 2.581 3.592 . 0 0 "[ . 1 . 2]" 1 193 1 39 LYS H 1 55 GLU H . . 4.180 3.579 3.324 3.879 . 0 0 "[ . 1 . 2]" 1 194 1 38 LEU QB 1 39 LYS H . . 4.780 2.946 2.357 3.573 . 0 0 "[ . 1 . 2]" 1 195 1 37 ILE MG 1 39 LYS H . . 5.000 4.808 4.616 5.147 0.147 4 0 "[ . 1 . 2]" 1 196 1 66 ILE H 1 67 LYS H . . 3.620 2.876 2.630 3.091 . 0 0 "[ . 1 . 2]" 1 197 1 42 VAL H 1 53 PHE H . . 5.000 5.068 4.830 5.325 0.325 8 0 "[ . 1 . 2]" 1 198 1 18 LEU H 1 50 ALA H . . 4.820 4.271 3.585 4.814 . 0 0 "[ . 1 . 2]" 1 199 1 18 LEU H 1 50 ALA MB . . 5.500 4.375 3.316 5.049 . 0 0 "[ . 1 . 2]" 1 200 1 20 SER H 1 20 SER QB . . 3.250 3.139 2.695 3.448 0.198 3 0 "[ . 1 . 2]" 1 201 1 35 GLY QA 1 36 ASN H . . 3.450 2.417 2.143 2.768 . 0 0 "[ . 1 . 2]" 1 202 1 28 GLU H 1 29 ASN H . . 3.930 3.127 2.825 3.430 . 0 0 "[ . 1 . 2]" 1 203 1 26 ASP H 1 29 ASN H . . 5.000 4.834 4.563 5.079 0.079 11 0 "[ . 1 . 2]" 1 204 1 29 ASN H 1 30 GLU H . . 3.850 2.893 2.589 3.241 . 0 0 "[ . 1 . 2]" 1 205 1 27 VAL HA 1 29 ASN H . . 5.290 4.698 4.238 5.258 . 0 0 "[ . 1 . 2]" 1 206 1 28 GLU QG 1 29 ASN H . . 5.100 3.584 1.964 4.429 . 0 0 "[ . 1 . 2]" 1 207 1 28 GLU QB 1 29 ASN H . . 3.930 2.755 2.395 3.538 . 0 0 "[ . 1 . 2]" 1 208 1 29 ASN H 1 30 GLU QB . . 5.000 4.674 4.291 5.050 0.050 1 0 "[ . 1 . 2]" 1 209 1 27 VAL QG 1 29 ASN H . . 5.500 4.813 4.431 5.335 . 0 0 "[ . 1 . 2]" 1 210 1 13 ILE H 1 14 TYR HA . . 5.500 4.940 4.768 5.049 . 0 0 "[ . 1 . 2]" 1 211 1 67 LYS H 1 69 LYS H . . 5.470 4.356 3.917 4.719 . 0 0 "[ . 1 . 2]" 1 212 1 69 LYS H 1 69 LYS QE . . 5.500 3.836 2.931 4.639 . 0 0 "[ . 1 . 2]" 1 213 1 68 GLU QG 1 69 LYS H . . 4.510 2.612 2.022 3.005 . 0 0 "[ . 1 . 2]" 1 214 1 67 LYS QD 1 69 LYS H . . 5.500 4.955 4.533 5.652 0.152 14 0 "[ . 1 . 2]" 1 215 1 16 GLY H 1 17 ASN H . . 5.440 4.531 4.407 4.626 . 0 0 "[ . 1 . 2]" 1 216 1 17 ASN H 1 18 LEU H . . 3.910 2.932 2.680 3.137 . 0 0 "[ . 1 . 2]" 1 217 1 30 GLU QG 1 31 PHE H . . 5.170 4.102 3.499 4.503 . 0 0 "[ . 1 . 2]" 1 218 1 27 VAL HB 1 31 PHE H . . 5.000 5.092 4.064 5.698 0.698 14 5 "[ -. 1 +* ** 2]" 1 219 1 30 GLU QB 1 31 PHE H . . 4.570 2.798 2.404 3.170 . 0 0 "[ . 1 . 2]" 1 220 1 68 GLU H 1 69 LYS H . . 3.700 2.671 2.462 3.060 . 0 0 "[ . 1 . 2]" 1 221 1 68 GLU H 1 69 LYS QE . . 4.730 5.174 4.648 5.697 0.967 19 9 "[* * * ** *- . +*]" 1 222 1 68 GLU H 1 69 LYS QB . . 4.240 5.091 4.740 5.724 1.484 2 19 [*+**.*************-*] 1 223 1 67 LYS QD 1 68 GLU H . . 4.400 2.749 1.970 3.581 . 0 0 "[ . 1 . 2]" 1 224 1 46 VAL H 1 47 SER H . . 3.910 2.677 2.489 3.133 . 0 0 "[ . 1 . 2]" 1 225 1 45 THR H 1 50 ALA HA . . 3.600 3.396 3.117 3.941 0.341 17 0 "[ . 1 . 2]" 1 226 1 44 LYS QD 1 45 THR H . . 4.270 4.215 2.530 4.834 0.564 14 3 "[ . 1 +.- * 2]" 1 227 1 44 LYS QG 1 45 THR H . . 4.160 3.535 3.093 3.677 . 0 0 "[ . 1 . 2]" 1 228 1 15 VAL HB 1 16 GLY H . . 5.500 4.313 3.653 4.595 . 0 0 "[ . 1 . 2]" 1 229 1 45 THR H 1 48 GLY H . . 4.810 4.610 4.122 5.256 0.446 6 0 "[ . 1 . 2]" 1 230 1 76 GLY H 1 77 ASN H . . 3.820 2.896 2.681 3.119 . 0 0 "[ . 1 . 2]" 1 231 1 75 GLU H 1 76 GLY H . . 4.070 2.849 2.760 3.004 . 0 0 "[ . 1 . 2]" 1 232 1 35 GLY H 1 36 ASN H . . 5.140 3.727 1.841 4.520 . 0 0 "[ . 1 . 2]" 1 233 1 32 ARG HA 1 35 GLY H . . 5.500 3.472 2.679 4.471 . 0 0 "[ . 1 . 2]" 1 234 1 27 VAL HA 1 30 GLU QB . . 4.540 3.502 2.430 4.161 . 0 0 "[ . 1 . 2]" 1 235 1 27 VAL HA 1 28 GLU QB . . 5.000 5.265 5.174 5.356 0.356 5 0 "[ . 1 . 2]" 1 236 1 23 SER HB2 1 25 ARG H . . 4.030 3.421 3.036 3.842 . 0 0 "[ . 1 . 2]" 1 237 1 66 ILE HA 1 66 ILE MG . . 3.350 3.155 2.739 3.227 . 0 0 "[ . 1 . 2]" 1 238 1 66 ILE HA 1 66 ILE MD . . 3.520 3.048 2.164 3.837 0.317 8 0 "[ . 1 . 2]" 1 239 1 46 VAL HA 1 46 VAL MG2 . . 3.300 2.783 2.492 3.271 . 0 0 "[ . 1 . 2]" 1 240 1 9 SER QB 1 10 VAL HA . . 4.520 4.355 3.975 4.825 0.305 18 0 "[ . 1 . 2]" 1 241 1 9 SER QB 1 11 SER HA . . 5.000 5.202 4.759 5.735 0.735 18 3 "[ .* 1 . +-2]" 1 242 1 11 SER QB 1 12 ARG H . . 4.270 3.424 2.927 3.846 . 0 0 "[ . 1 . 2]" 1 243 1 47 SER H 1 47 SER QB . . 3.840 2.458 2.245 2.951 . 0 0 "[ . 1 . 2]" 1 244 1 19 PRO QG 1 20 SER QB . . 4.580 4.798 4.356 5.482 0.902 20 4 "[ -. *1 *. +]" 1 245 1 84 PRO HA 1 85 PHE H . . 3.080 3.161 2.880 3.334 0.254 19 0 "[ . 1 . 2]" 1 246 1 19 PRO HA 1 20 SER H . . 3.040 2.228 2.108 2.318 . 0 0 "[ . 1 . 2]" 1 247 1 24 SER HA 1 27 VAL HB . . 4.070 3.954 2.519 4.971 0.901 13 6 "[ - . ** + . **]" 1 248 1 24 SER HA 1 42 VAL QG . . 3.560 3.229 2.278 3.931 0.371 2 0 "[ . 1 . 2]" 1 249 1 24 SER HA 1 27 VAL QG . . 4.540 2.256 1.934 3.152 . 0 0 "[ . 1 . 2]" 1 250 1 22 VAL HA 1 23 SER H . . 2.850 2.247 2.065 2.440 . 0 0 "[ . 1 . 2]" 1 251 1 22 VAL HA 1 26 ASP QB . . 4.210 3.537 2.154 4.028 . 0 0 "[ . 1 . 2]" 1 252 1 42 VAL HA 1 53 PHE H . . 4.090 3.360 2.970 3.717 . 0 0 "[ . 1 . 2]" 1 253 1 42 VAL HA 1 43 LYS H . . 3.020 2.136 2.020 2.262 . 0 0 "[ . 1 . 2]" 1 254 1 37 ILE HA 1 38 LEU H . . 3.190 2.181 2.034 2.371 . 0 0 "[ . 1 . 2]" 1 255 1 37 ILE HA 1 56 PHE HA . . 3.540 2.317 1.870 2.862 . 0 0 "[ . 1 . 2]" 1 256 1 81 VAL HA 1 82 GLU H . . 3.170 2.329 2.216 2.438 . 0 0 "[ . 1 . 2]" 1 257 1 66 ILE MD 1 81 VAL HA . . 3.840 4.359 3.903 5.370 1.530 8 6 "[ *- +*1 * *2]" 1 258 1 28 GLU HA 1 28 GLU QG . . 3.890 2.598 2.207 3.613 . 0 0 "[ . 1 . 2]" 1 259 1 27 VAL QG 1 28 GLU HA . . 4.620 3.749 3.128 4.111 . 0 0 "[ . 1 . 2]" 1 260 1 34 TYR HA 1 34 TYR QD . . 3.200 2.847 2.331 3.038 . 0 0 "[ . 1 . 2]" 1 261 1 34 TYR HA 1 35 GLY H . . 5.000 3.613 3.360 3.759 . 0 0 "[ . 1 . 2]" 1 262 1 38 LEU QD 1 57 GLU HA . . 3.420 3.097 2.471 3.641 0.221 1 0 "[ . 1 . 2]" 1 263 1 60 ARG HA 1 63 ALA H . . 4.420 3.545 3.163 3.996 . 0 0 "[ . 1 . 2]" 1 264 1 25 ARG HA 1 28 GLU QB . . 3.630 2.751 2.280 3.116 . 0 0 "[ . 1 . 2]" 1 265 1 25 ARG HA 1 25 ARG QG . . 3.530 2.721 2.391 3.038 . 0 0 "[ . 1 . 2]" 1 266 1 60 ARG HA 1 60 ARG QG . . 3.290 3.349 2.436 3.571 0.281 8 0 "[ . 1 . 2]" 1 267 1 32 ARG HA 1 32 ARG QD . . 4.340 4.079 3.626 4.621 0.281 10 0 "[ . 1 . 2]" 1 268 1 70 ASP HA 1 81 VAL QG . . 5.000 3.513 2.511 4.175 . 0 0 "[ . 1 . 2]" 1 269 1 9 SER HA 1 10 VAL H . . 2.830 2.671 2.301 3.306 0.476 7 0 "[ . 1 . 2]" 1 270 1 85 PHE HA 1 86 ASN H . . 3.190 3.306 2.355 3.561 0.371 17 0 "[ . 1 . 2]" 1 271 1 10 VAL QG 1 11 SER HA . . 4.870 4.318 3.809 4.602 . 0 0 "[ . 1 . 2]" 1 272 1 66 ILE MD 1 70 ASP HA . . 5.000 4.140 3.191 4.892 . 0 0 "[ . 1 . 2]" 1 273 1 70 ASP HA 1 81 VAL HB . . 3.740 3.262 2.624 4.243 0.503 14 1 "[ . 1 +. 2]" 1 274 1 67 LYS QD 1 68 GLU HA . . 3.840 3.071 2.830 3.409 . 0 0 "[ . 1 . 2]" 1 275 1 85 PHE HA 1 85 PHE QD . . 4.180 3.510 2.241 3.790 . 0 0 "[ . 1 . 2]" 1 276 1 26 ASP HA 1 29 ASN HB2 . . 3.820 4.040 3.246 4.549 0.729 9 7 "[* ** *+1 .- *]" 1 277 1 30 GLU HA 1 30 GLU QG . . 3.510 2.620 2.226 2.948 . 0 0 "[ . 1 . 2]" 1 278 1 26 ASP HA 1 29 ASN H . . 4.190 3.460 2.409 3.691 . 0 0 "[ . 1 . 2]" 1 279 1 30 GLU HA 1 32 ARG H . . 4.700 4.605 4.326 5.010 0.310 3 0 "[ . 1 . 2]" 1 280 1 64 ASP HA 1 65 ALA H . . 3.530 3.575 3.497 3.663 0.133 3 0 "[ . 1 . 2]" 1 281 1 75 GLU HA 1 75 GLU HG2 . . 3.600 2.809 2.288 3.417 . 0 0 "[ . 1 . 2]" 1 282 1 75 GLU HA 1 75 GLU HG3 . . 4.000 3.224 2.438 3.927 . 0 0 "[ . 1 . 2]" 1 283 1 53 PHE HA 1 53 PHE QE . . 4.310 4.410 4.158 4.712 0.402 10 0 "[ . 1 . 2]" 1 284 1 53 PHE HA 1 54 ILE H . . 3.250 2.273 2.155 2.429 . 0 0 "[ . 1 . 2]" 1 285 1 8 GLU HA 1 9 SER H . . 2.900 2.540 2.112 3.207 0.307 7 0 "[ . 1 . 2]" 1 286 1 29 ASN HA 1 32 ARG QG . . 4.470 2.375 1.863 3.392 . 0 0 "[ . 1 . 2]" 1 287 1 14 TYR HA 1 15 VAL H . . 3.130 2.313 2.082 2.461 . 0 0 "[ . 1 . 2]" 1 288 1 39 LYS HA 1 40 CYS H . . 2.850 2.310 2.161 2.410 . 0 0 "[ . 1 . 2]" 1 289 1 7 ARG HA 1 8 GLU H . . 2.920 2.458 2.112 3.170 0.250 16 0 "[ . 1 . 2]" 1 290 1 88 ARG HA 1 89 GLU H . . 3.280 2.753 2.084 3.633 0.353 2 0 "[ . 1 . 2]" 1 291 1 18 LEU QD 1 51 PHE HA . . 3.940 3.334 2.605 4.460 0.520 14 1 "[ . 1 +. 2]" 1 292 1 21 HIS HA 1 21 HIS HB2 . . 2.500 2.508 2.234 3.016 0.516 19 2 "[ . - 1 . +2]" 1 293 1 78 LYS HA 1 79 LEU H . . 2.940 2.318 2.154 2.427 . 0 0 "[ . 1 . 2]" 1 294 1 59 ALA HA 1 62 ALA H . . 4.000 4.075 3.777 4.396 0.396 4 0 "[ . 1 . 2]" 1 295 1 59 ALA HA 1 61 ASP H . . 4.620 4.714 4.426 5.007 0.387 3 0 "[ . 1 . 2]" 1 296 1 55 GLU HA 1 56 PHE H . . 2.880 2.186 2.097 2.290 . 0 0 "[ . 1 . 2]" 1 297 1 63 ALA HA 1 67 LYS H . . 4.130 3.798 3.534 4.023 . 0 0 "[ . 1 . 2]" 1 298 1 63 ALA HA 1 65 ALA H . . 5.000 4.536 4.253 4.863 . 0 0 "[ . 1 . 2]" 1 299 1 63 ALA HA 1 66 ILE MG . . 4.410 2.283 1.924 3.906 . 0 0 "[ . 1 . 2]" 1 300 1 63 ALA HA 1 66 ILE MD . . 4.780 4.825 4.436 5.472 0.692 9 1 "[ . +1 . 2]" 1 301 1 44 LYS HA 1 45 THR H . . 3.110 2.366 2.163 2.501 . 0 0 "[ . 1 . 2]" 1 302 1 73 ASP HA 1 74 PHE H . . 3.200 2.266 2.048 2.464 . 0 0 "[ . 1 . 2]" 1 303 1 65 ALA HA 1 67 LYS QD . . 4.560 5.013 4.061 5.954 1.394 14 9 "[ . 1 **+****-*]" 1 304 1 12 ARG HA 1 13 ILE MG . . 5.320 5.588 5.475 5.754 0.434 2 0 "[ . 1 . 2]" 1 305 1 10 VAL QG 1 12 ARG HA . . 5.000 4.988 4.165 5.687 0.687 1 2 "[+ . -1 . 2]" 1 306 1 12 ARG HA 1 13 ILE H . . 3.110 2.427 2.257 2.546 . 0 0 "[ . 1 . 2]" 1 307 1 62 ALA HA 1 64 ASP H . . 4.810 4.081 3.570 4.686 . 0 0 "[ . 1 . 2]" 1 308 1 62 ALA HA 1 66 ILE H . . 5.000 4.596 4.339 4.874 . 0 0 "[ . 1 . 2]" 1 309 1 62 ALA HA 1 63 ALA MB . . 5.010 4.968 4.818 5.082 0.072 6 0 "[ . 1 . 2]" 1 310 1 62 ALA HA 1 65 ALA H . . 4.400 3.496 3.019 3.824 . 0 0 "[ . 1 . 2]" 1 311 1 36 ASN HA 1 37 ILE H . . 2.800 2.174 2.086 2.267 . 0 0 "[ . 1 . 2]" 1 312 1 80 ARG HA 1 80 ARG QG . . 3.440 3.195 2.463 3.432 . 0 0 "[ . 1 . 2]" 1 313 1 80 ARG HA 1 81 VAL H . . 3.110 2.277 2.077 2.423 . 0 0 "[ . 1 . 2]" 1 314 1 43 LYS HA 1 44 LYS H . . 2.990 2.454 2.225 2.638 . 0 0 "[ . 1 . 2]" 1 315 1 43 LYS HA 1 43 LYS QD . . 4.040 3.273 2.218 4.116 0.076 3 0 "[ . 1 . 2]" 1 316 1 43 LYS HA 1 44 LYS QD . . 5.000 4.493 3.680 5.886 0.886 17 4 "[ .- * 1 . + *2]" 1 317 1 43 LYS HA 1 44 LYS QB . . 5.000 4.183 3.937 4.389 . 0 0 "[ . 1 . 2]" 1 318 1 17 ASN HA 1 18 LEU H . . 3.540 2.996 2.870 3.143 . 0 0 "[ . 1 . 2]" 1 319 1 17 ASN HA 1 50 ALA H . . 4.270 3.575 2.965 3.970 . 0 0 "[ . 1 . 2]" 1 320 1 41 ASP HA 1 42 VAL H . . 2.690 2.237 2.131 2.366 . 0 0 "[ . 1 . 2]" 1 321 1 86 ASN HA 1 87 ALA MB . . 4.290 4.150 3.798 4.537 0.247 17 0 "[ . 1 . 2]" 1 322 1 86 ASN HA 1 87 ALA H . . 3.050 2.619 2.124 3.609 0.559 15 2 "[ - 1 + 2]" 1 323 1 58 ASP HA 1 59 ALA H . . 2.990 2.183 1.986 2.392 . 0 0 "[ . 1 . 2]" 1 324 1 58 ASP HA 1 59 ALA MB . . 4.360 4.038 3.740 4.373 0.013 1 0 "[ . 1 . 2]" 1 325 1 87 ALA HA 1 88 ARG H . . 3.100 2.824 2.161 3.527 0.427 11 0 "[ . 1 . 2]" 1 326 1 49 ALA HA 1 50 ALA H . . 2.820 2.233 2.132 2.297 . 0 0 "[ . 1 . 2]" 1 327 1 17 ASN HA 1 49 ALA HA . . 3.480 3.723 3.342 3.985 0.505 4 1 "[ +. 1 . 2]" 1 328 1 44 LYS QB 1 50 ALA HA . . 4.780 3.201 2.000 4.803 0.023 6 0 "[ . 1 . 2]" 1 329 1 44 LYS QD 1 50 ALA HA . . 5.000 4.975 2.018 5.905 0.905 14 14 "[****- * ****+** * 2]" 1 330 1 45 THR MG 1 50 ALA HA . . 4.900 4.310 4.103 4.492 . 0 0 "[ . 1 . 2]" 1 331 1 50 ALA HA 1 51 PHE H . . 2.900 2.346 2.217 2.432 . 0 0 "[ . 1 . 2]" 1 332 1 44 LYS HA 1 50 ALA HA . . 3.150 2.624 2.282 3.228 0.078 6 0 "[ . 1 . 2]" 1 333 1 18 LEU HB2 1 19 PRO HD2 . . 4.630 2.834 2.201 4.155 . 0 0 "[ . 1 . 2]" 1 334 1 18 LEU HB2 1 19 PRO HD3 . . 4.280 3.953 3.268 5.022 0.742 10 2 "[ . + -. 2]" 1 335 1 51 PHE H 1 52 ALA HA . . 4.840 4.800 4.641 4.996 0.156 11 0 "[ . 1 . 2]" 1 336 1 52 ALA HA 1 54 ILE H . . 5.000 5.968 5.814 6.177 1.177 2 20 [*+***************-**] 1 337 1 43 LYS H 1 52 ALA HA . . 3.740 3.317 2.784 4.043 0.303 4 0 "[ . 1 . 2]" 1 338 1 52 ALA HA 1 53 PHE H . . 2.950 2.197 2.092 2.385 . 0 0 "[ . 1 . 2]" 1 339 1 42 VAL HA 1 52 ALA HA . . 3.170 2.492 2.164 3.030 . 0 0 "[ . 1 . 2]" 1 340 1 42 VAL QG 1 52 ALA HA . . 4.230 3.131 2.649 3.616 . 0 0 "[ . 1 . 2]" 1 341 1 58 ASP QB 1 59 ALA H . . 4.440 3.487 3.101 3.767 . 0 0 "[ . 1 . 2]" 1 342 1 58 ASP QB 1 60 ARG H . . 4.470 3.516 3.024 3.992 . 0 0 "[ . 1 . 2]" 1 343 1 58 ASP QB 1 61 ASP H . . 4.370 2.981 2.616 3.341 . 0 0 "[ . 1 . 2]" 1 344 1 39 LYS QD 1 41 ASP QB . . 4.700 2.711 2.184 4.579 . 0 0 "[ . 1 . 2]" 1 345 1 39 LYS HB3 1 41 ASP QB . . 5.000 5.431 5.148 5.850 0.850 14 5 "[ * . 1- *+.* 2]" 1 346 1 39 LYS QG 1 41 ASP QB . . 4.900 4.081 3.103 4.630 . 0 0 "[ . 1 . 2]" 1 347 1 40 CYS HA 1 41 ASP QB . . 4.770 4.138 3.981 4.307 . 0 0 "[ . 1 . 2]" 1 348 1 41 ASP QB 1 53 PHE QB . . 4.450 2.842 2.396 4.006 . 0 0 "[ . 1 . 2]" 1 349 1 40 CYS QB 1 41 ASP QB . . 5.000 4.936 4.800 5.106 0.106 3 0 "[ . 1 . 2]" 1 350 1 57 GLU QG 1 58 ASP QB . . 4.990 3.278 2.333 4.551 . 0 0 "[ . 1 . 2]" 1 351 1 41 ASP H 1 41 ASP QB . . 3.430 2.607 2.520 2.894 . 0 0 "[ . 1 . 2]" 1 352 1 41 ASP QB 1 42 VAL H . . 4.000 3.503 2.832 3.759 . 0 0 "[ . 1 . 2]" 1 353 1 80 ARG HA 1 80 ARG QD . . 4.420 2.805 2.314 3.579 . 0 0 "[ . 1 . 2]" 1 354 1 60 ARG HA 1 60 ARG QD . . 4.610 4.010 3.680 4.470 . 0 0 "[ . 1 . 2]" 1 355 1 58 ASP QB 1 60 ARG QD . . 4.790 4.149 2.810 5.840 1.050 18 1 "[ . 1 . + 2]" 1 356 1 14 TYR QE 1 16 GLY HA3 . . 4.230 3.462 2.589 3.873 . 0 0 "[ . 1 . 2]" 1 357 1 60 ARG QB 1 60 ARG QD . . 3.430 2.289 2.040 2.610 . 0 0 "[ . 1 . 2]" 1 358 1 88 ARG HA 1 88 ARG QD . . 4.560 3.264 2.204 4.136 . 0 0 "[ . 1 . 2]" 1 359 1 25 ARG HA 1 25 ARG QD . . 3.950 3.834 3.539 4.081 0.131 14 0 "[ . 1 . 2]" 1 360 1 73 ASP HB2 1 74 PHE H . . 4.650 4.113 3.844 4.410 . 0 0 "[ . 1 . 2]" 1 361 1 73 ASP H 1 73 ASP HB2 . . 3.200 2.702 2.569 2.830 . 0 0 "[ . 1 . 2]" 1 362 1 73 ASP H 1 73 ASP HB3 . . 3.170 3.208 2.558 3.729 0.559 20 1 "[ . 1 . +]" 1 363 1 53 PHE H 1 53 PHE QB . . 3.840 2.434 2.178 2.667 . 0 0 "[ . 1 . 2]" 1 364 1 42 VAL QG 1 53 PHE QB . . 4.760 4.949 4.741 5.370 0.610 15 1 "[ . 1 + 2]" 1 365 1 53 PHE QB 1 54 ILE QG . . 5.000 4.774 4.297 5.294 0.294 4 0 "[ . 1 . 2]" 1 366 1 42 VAL QG 1 44 LYS QE . . 5.000 3.586 2.229 4.301 . 0 0 "[ . 1 . 2]" 1 367 1 53 PHE QB 1 55 GLU H . . 5.000 5.259 4.726 5.723 0.723 15 4 "[ * * - 1 + 2]" 1 368 1 67 LYS QE 1 68 GLU QB . . 4.950 3.350 3.103 3.674 . 0 0 "[ . 1 . 2]" 1 369 1 67 LYS QE 1 68 GLU QG . . 5.000 4.781 3.872 5.163 0.163 14 0 "[ . 1 . 2]" 1 370 1 40 CYS HA 1 53 PHE QB . . 3.850 4.537 4.174 5.181 1.331 15 16 "[** *****- * *+*****]" 1 371 1 44 LYS QE 1 45 THR HA . . 5.000 6.048 5.629 6.677 1.677 19 20 [**-***************+*] 1 372 1 39 LYS QE 1 40 CYS HA . . 5.000 4.812 3.506 5.584 0.584 6 1 "[ .+ 1 . 2]" 1 373 1 76 GLY HA3 1 78 LYS QE . . 4.520 4.653 4.023 5.148 0.628 9 5 "[ **- +* . 2]" 1 374 1 39 LYS QE 1 41 ASP QB . . 4.660 2.578 2.089 3.112 . 0 0 "[ . 1 . 2]" 1 375 1 34 TYR QE 1 69 LYS QE . . 4.190 4.087 3.018 5.021 0.831 13 3 "[ . 1 +*.- 2]" 1 376 1 69 LYS HA 1 69 LYS QE . . 4.390 4.215 3.739 4.646 0.256 1 0 "[ . 1 . 2]" 1 377 1 33 LYS QE 1 62 ALA MB . . 4.140 5.934 4.912 7.185 3.045 16 20 [********-******+****] 1 378 1 33 LYS QE 1 34 TYR QE . . 3.880 3.536 2.733 4.514 0.634 6 3 "[ - .+ *1 . 2]" 1 379 1 68 GLU QG 1 69 LYS QE . . 2.720 2.554 2.269 3.286 0.566 19 1 "[ . 1 . +2]" 1 380 1 70 ASP H 1 70 ASP QB . . 3.510 2.484 2.128 2.723 . 0 0 "[ . 1 . 2]" 1 381 1 70 ASP QB 1 81 VAL QG . . 5.000 4.251 3.546 4.949 . 0 0 "[ . 1 . 2]" 1 382 1 51 PHE HB2 1 52 ALA H . . 4.410 3.685 3.253 3.932 . 0 0 "[ . 1 . 2]" 1 383 1 51 PHE HB3 1 52 ALA H . . 4.430 2.937 2.478 3.291 . 0 0 "[ . 1 . 2]" 1 384 1 70 ASP QB 1 81 VAL HB . . 3.590 4.500 3.914 5.449 1.859 14 14 "[ * *-** 1 **+******]" 1 385 1 56 PHE HB2 1 57 GLU H . . 4.170 3.210 2.256 4.314 0.144 1 0 "[ . 1 . 2]" 1 386 1 31 PHE QB 1 54 ILE MD . . 4.910 4.015 3.013 4.646 . 0 0 "[ . 1 . 2]" 1 387 1 23 SER H 1 26 ASP QB . . 3.890 3.061 2.213 4.095 0.205 11 0 "[ . 1 . 2]" 1 388 1 26 ASP H 1 26 ASP QB . . 3.640 2.590 2.101 2.932 . 0 0 "[ . 1 . 2]" 1 389 1 22 VAL HB 1 26 ASP QB . . 4.170 3.527 2.639 4.402 0.232 19 0 "[ . 1 . 2]" 1 390 1 26 ASP QB 1 27 VAL QG . . 3.930 3.567 2.996 4.450 0.520 4 2 "[ +. 1- . 2]" 1 391 1 14 TYR QB 1 15 VAL H . . 4.760 3.963 3.838 4.070 . 0 0 "[ . 1 . 2]" 1 392 1 14 TYR H 1 14 TYR QB . . 3.580 2.392 2.297 2.466 . 0 0 "[ . 1 . 2]" 1 393 1 54 ILE HB 1 85 PHE QE . . 4.820 5.584 5.063 6.382 1.562 17 16 "[* * ****** -***+***]" 1 394 1 54 ILE H 1 54 ILE HB . . 4.000 3.207 2.743 3.674 . 0 0 "[ . 1 . 2]" 1 395 1 13 ILE MD 1 54 ILE HB . . 4.330 3.289 1.942 4.704 0.374 2 0 "[ . 1 . 2]" 1 396 1 27 VAL QG 1 54 ILE HB . . 5.000 4.308 3.879 4.984 . 0 0 "[ . 1 . 2]" 1 397 1 64 ASP H 1 64 ASP HB2 . . 3.560 2.465 2.039 2.838 . 0 0 "[ . 1 . 2]" 1 398 1 64 ASP H 1 64 ASP HB3 . . 3.540 3.556 3.027 3.726 0.186 1 0 "[ . 1 . 2]" 1 399 1 64 ASP HB3 1 65 ALA H . . 3.910 3.289 2.573 3.529 . 0 0 "[ . 1 . 2]" 1 400 1 61 ASP HB2 1 62 ALA H . . 4.230 3.302 2.578 3.828 . 0 0 "[ . 1 . 2]" 1 401 1 61 ASP H 1 61 ASP HB3 . . 4.200 3.347 2.702 3.711 . 0 0 "[ . 1 . 2]" 1 402 1 37 ILE HB 1 54 ILE HA . . 4.530 5.463 4.806 6.456 1.926 19 16 "[* *- ** *********+*]" 1 403 1 36 ASN HA 1 37 ILE HB . . 5.000 5.047 4.529 5.857 0.857 11 1 "[ . 1+ . 2]" 1 404 1 37 ILE HB 1 37 ILE MD . . 3.610 3.188 2.449 3.300 . 0 0 "[ . 1 . 2]" 1 405 1 76 GLY HA3 1 77 ASN QB . . 4.600 4.986 4.361 5.446 0.846 6 8 "[****.+** 1 . -2]" 1 406 1 61 ASP H 1 61 ASP HB2 . . 3.930 2.373 2.096 2.831 . 0 0 "[ . 1 . 2]" 1 407 1 61 ASP HB3 1 62 ALA H . . 4.390 3.311 2.400 3.905 . 0 0 "[ . 1 . 2]" 1 408 1 85 PHE H 1 85 PHE HB2 . . 3.840 3.610 2.537 3.931 0.091 2 0 "[ . 1 . 2]" 1 409 1 85 PHE H 1 85 PHE HB3 . . 3.860 3.337 2.941 3.957 0.097 7 0 "[ . 1 . 2]" 1 410 1 66 ILE H 1 66 ILE HB . . 3.550 2.383 2.139 2.814 . 0 0 "[ . 1 . 2]" 1 411 1 66 ILE HB 1 69 LYS QG . . 4.970 5.601 5.058 6.477 1.507 19 15 "[* ******** * ***-+2]" 1 412 1 66 ILE HB 1 67 LYS QG . . 5.000 5.596 4.842 5.924 0.924 19 15 "[ **-** *********+2]" 1 413 1 63 ALA MB 1 66 ILE HB . . 5.000 4.641 4.115 5.378 0.378 8 0 "[ . 1 . 2]" 1 414 1 86 ASN H 1 86 ASN HB2 . . 4.030 3.163 2.446 3.668 . 0 0 "[ . 1 . 2]" 1 415 1 86 ASN H 1 86 ASN HB3 . . 4.060 3.865 2.724 4.192 0.132 9 0 "[ . 1 . 2]" 1 416 1 86 ASN HB3 1 87 ALA H . . 4.360 4.138 2.399 4.561 0.201 4 0 "[ . 1 . 2]" 1 417 1 36 ASN QB 1 57 GLU QB . . 4.090 3.352 2.337 4.046 . 0 0 "[ . 1 . 2]" 1 418 1 36 ASN H 1 36 ASN QB . . 3.450 2.515 2.035 3.018 . 0 0 "[ . 1 . 2]" 1 419 1 36 ASN QB 1 37 ILE H . . 4.310 3.726 3.285 3.994 . 0 0 "[ . 1 . 2]" 1 420 1 36 ASN QB 1 57 GLU QG . . 4.060 2.599 1.941 4.653 0.593 13 1 "[ . 1 + . 2]" 1 421 1 29 ASN H 1 29 ASN HB2 . . 3.450 2.496 2.122 2.825 . 0 0 "[ . 1 . 2]" 1 422 1 29 ASN HB2 1 30 GLU H . . 4.760 3.557 2.444 4.059 . 0 0 "[ . 1 . 2]" 1 423 1 29 ASN H 1 29 ASN HB3 . . 3.340 2.951 2.511 3.721 0.381 10 0 "[ . 1 . 2]" 1 424 1 34 TYR QB 1 65 ALA MB . . 4.140 3.044 2.311 4.072 . 0 0 "[ . 1 . 2]" 1 425 1 34 TYR QE 1 68 GLU QG . . 4.540 4.397 3.154 4.897 0.357 11 0 "[ . 1 . 2]" 1 426 1 68 GLU HA 1 68 GLU QG . . 3.870 3.303 2.793 3.543 . 0 0 "[ . 1 . 2]" 1 427 1 68 GLU H 1 68 GLU QG . . 3.960 2.860 2.215 3.478 . 0 0 "[ . 1 . 2]" 1 428 1 68 GLU QG 1 69 LYS QB . . 3.640 3.834 2.946 4.245 0.605 3 6 "[ + . * -* * . * 2]" 1 429 1 67 LYS QD 1 68 GLU QG . . 4.010 4.437 3.930 5.570 1.560 14 5 "[ . 1 * +. *- *]" 1 430 1 67 LYS QG 1 68 GLU QG . . 4.930 4.873 4.020 5.377 0.447 3 0 "[ . 1 . 2]" 1 431 1 68 GLU QG 1 69 LYS QG . . 5.000 3.268 2.068 4.607 . 0 0 "[ . 1 . 2]" 1 432 1 28 GLU QG 1 37 ILE MD . . 4.720 2.819 1.954 4.462 . 0 0 "[ . 1 . 2]" 1 433 1 39 LYS HB2 1 40 CYS H . . 4.480 4.051 2.707 4.640 0.160 8 0 "[ . 1 . 2]" 1 434 1 38 LEU QD 1 57 GLU QG . . 5.050 3.606 3.070 4.070 . 0 0 "[ . 1 . 2]" 1 435 1 39 LYS HB3 1 40 CYS H . . 4.580 4.125 3.913 4.525 . 0 0 "[ . 1 . 2]" 1 436 1 57 GLU H 1 57 GLU QG . . 4.600 2.873 1.931 3.984 . 0 0 "[ . 1 . 2]" 1 437 1 89 GLU H 1 89 GLU QG . . 4.710 3.629 2.619 4.207 . 0 0 "[ . 1 . 2]" 1 438 1 89 GLU QB 1 89 GLU QG . . 2.470 2.053 1.997 2.113 . 0 0 "[ . 1 . 2]" 1 439 1 8 GLU H 1 8 GLU QG . . 4.280 3.662 1.935 4.638 0.358 4 0 "[ . 1 . 2]" 1 440 1 43 LYS QB 1 51 PHE QD . . 4.560 3.016 2.152 3.611 . 0 0 "[ . 1 . 2]" 1 441 1 44 LYS QB 1 45 THR H . . 4.100 3.208 2.797 3.765 . 0 0 "[ . 1 . 2]" 1 442 1 44 LYS H 1 44 LYS QB . . 3.920 2.922 2.504 3.047 . 0 0 "[ . 1 . 2]" 1 443 1 43 LYS H 1 44 LYS QB . . 5.000 5.156 4.770 5.599 0.599 6 1 "[ .+ 1 . 2]" 1 444 1 75 GLU H 1 75 GLU HG2 . . 4.290 3.921 3.092 4.857 0.567 1 4 "[+ . - 1 *.* 2]" 1 445 1 75 GLU H 1 75 GLU HG3 . . 4.230 3.937 3.159 4.809 0.579 3 2 "[ -+ . 1 . 2]" 1 446 1 82 GLU H 1 82 GLU HG2 . . 4.910 4.298 2.569 4.973 0.063 1 0 "[ . 1 . 2]" 1 447 1 69 LYS H 1 69 LYS QB . . 3.860 2.770 2.558 3.099 . 0 0 "[ . 1 . 2]" 1 448 1 69 LYS QB 1 69 LYS QD . . 3.440 2.583 2.202 2.866 . 0 0 "[ . 1 . 2]" 1 449 1 66 ILE MD 1 81 VAL HB . . 3.760 3.491 2.417 4.330 0.570 8 1 "[ . + 1 . 2]" 1 450 1 81 VAL H 1 81 VAL HB . . 4.000 2.972 2.723 3.724 . 0 0 "[ . 1 . 2]" 1 451 1 15 VAL H 1 15 VAL HB . . 4.050 3.208 2.649 3.916 . 0 0 "[ . 1 . 2]" 1 452 1 42 VAL HB 1 43 LYS H . . 4.810 4.252 4.112 4.514 . 0 0 "[ . 1 . 2]" 1 453 1 42 VAL H 1 42 VAL HB . . 3.350 2.984 2.546 3.608 0.258 10 0 "[ . 1 . 2]" 1 454 1 10 VAL HB 1 11 SER H . . 3.870 3.565 2.809 4.255 0.385 20 0 "[ . 1 . 2]" 1 455 1 10 VAL H 1 10 VAL HB . . 3.800 3.556 2.793 4.031 0.231 7 0 "[ . 1 . 2]" 1 456 1 22 VAL HB 1 27 VAL H . . 4.810 4.248 2.819 5.727 0.917 20 6 "[ * . -*1 * . *+]" 1 457 1 22 VAL HB 1 27 VAL QG . . 4.290 3.011 2.008 3.899 . 0 0 "[ . 1 . 2]" 1 458 1 67 LYS H 1 67 LYS QB . . 3.320 2.637 2.510 2.720 . 0 0 "[ . 1 . 2]" 1 459 1 67 LYS QB 1 68 GLU H . . 3.840 3.720 3.627 3.818 . 0 0 "[ . 1 . 2]" 1 460 1 22 VAL HB 1 23 SER H . . 4.800 3.823 3.123 4.429 . 0 0 "[ . 1 . 2]" 1 461 1 80 ARG QB 1 81 VAL H . . 4.490 3.989 3.826 4.116 . 0 0 "[ . 1 . 2]" 1 462 1 19 PRO HB2 1 20 SER H . . 4.140 3.450 2.896 3.827 . 0 0 "[ . 1 . 2]" 1 463 1 78 LYS HB2 1 78 LYS QE . . 4.680 3.520 2.241 4.069 . 0 0 "[ . 1 . 2]" 1 464 1 78 LYS H 1 78 LYS HB3 . . 3.770 3.440 3.119 3.723 . 0 0 "[ . 1 . 2]" 1 465 1 46 VAL H 1 46 VAL HB . . 3.360 3.001 2.623 3.650 0.290 15 0 "[ . 1 . 2]" 1 466 1 46 VAL HB 1 47 SER H . . 4.290 3.684 3.211 4.432 0.142 5 0 "[ . 1 . 2]" 1 467 1 39 LYS H 1 55 GLU QB . . 4.320 2.836 1.934 3.685 . 0 0 "[ . 1 . 2]" 1 468 1 27 VAL HB 1 28 GLU H . . 3.600 3.252 2.441 4.219 0.619 1 2 "[+ .- 1 . 2]" 1 469 1 27 VAL H 1 27 VAL HB . . 3.380 3.097 2.467 3.701 0.321 20 0 "[ . 1 . 2]" 1 470 1 7 ARG QB 1 7 ARG HG2 . . 2.760 2.281 2.133 2.528 . 0 0 "[ . 1 . 2]" 1 471 1 33 LYS H 1 33 LYS HB2 . . 3.880 3.497 3.233 3.960 0.080 4 0 "[ . 1 . 2]" 1 472 1 33 LYS H 1 33 LYS HB3 . . 3.880 2.415 2.091 3.043 . 0 0 "[ . 1 . 2]" 1 473 1 38 LEU HG 1 57 GLU QB . . 4.320 4.097 3.147 4.833 0.513 7 1 "[ . + 1 . 2]" 1 474 1 38 LEU QD 1 57 GLU QB . . 4.480 2.224 1.996 2.761 . 0 0 "[ . 1 . 2]" 1 475 1 57 GLU H 1 57 GLU QB . . 3.810 2.498 2.134 2.752 . 0 0 "[ . 1 . 2]" 1 476 1 88 ARG HB2 1 89 GLU H . . 4.230 4.117 2.349 4.811 0.581 4 1 "[ +. 1 . 2]" 1 477 1 88 ARG H 1 88 ARG HB3 . . 4.140 3.289 2.613 3.984 . 0 0 "[ . 1 . 2]" 1 478 1 8 GLU QB 1 9 SER H . . 4.360 3.561 1.815 4.155 . 0 0 "[ . 1 . 2]" 1 479 1 8 GLU H 1 8 GLU QB . . 3.890 3.091 2.471 3.436 . 0 0 "[ . 1 . 2]" 1 480 1 33 LYS H 1 33 LYS QD . . 4.750 4.668 4.509 4.801 0.051 4 0 "[ . 1 . 2]" 1 481 1 25 ARG H 1 25 ARG HB2 . . 3.580 2.850 2.465 3.186 . 0 0 "[ . 1 . 2]" 1 482 1 25 ARG H 1 25 ARG HB3 . . 3.630 2.616 2.130 3.744 0.114 9 0 "[ . 1 . 2]" 1 483 1 28 GLU QB 1 37 ILE MD . . 4.720 3.476 2.689 4.267 . 0 0 "[ . 1 . 2]" 1 484 1 28 GLU H 1 28 GLU QB . . 3.610 2.227 2.026 2.475 . 0 0 "[ . 1 . 2]" 1 485 1 32 ARG H 1 32 ARG HB2 . . 3.950 3.608 2.419 3.912 . 0 0 "[ . 1 . 2]" 1 486 1 30 GLU H 1 30 GLU QB . . 3.640 2.255 2.149 2.331 . 0 0 "[ . 1 . 2]" 1 487 1 25 ARG QG 1 28 GLU QB . . 4.680 4.280 3.383 5.126 0.446 10 0 "[ . 1 . 2]" 1 488 1 28 GLU QB 1 32 ARG QG . . 5.000 4.875 3.861 5.719 0.719 3 2 "[ + . - 1 . 2]" 1 489 1 30 GLU QB 1 32 ARG QG . . 5.000 5.861 5.579 6.651 1.651 6 20 [*****+******-*******] 1 490 1 32 ARG HB3 1 33 LYS H . . 4.760 4.090 3.440 4.449 . 0 0 "[ . 1 . 2]" 1 491 1 60 ARG H 1 60 ARG QB . . 3.430 2.589 2.265 2.770 . 0 0 "[ . 1 . 2]" 1 492 1 60 ARG QB 1 61 ASP H . . 4.420 3.661 2.869 3.914 . 0 0 "[ . 1 . 2]" 1 493 1 59 ALA H 1 60 ARG QB . . 4.810 4.871 4.332 5.216 0.406 10 0 "[ . 1 . 2]" 1 494 1 67 LYS HA 1 67 LYS QD . . 4.460 3.849 3.722 3.995 . 0 0 "[ . 1 . 2]" 1 495 1 29 ASN HA 1 32 ARG HB2 . . 4.710 4.596 2.528 5.399 0.689 9 2 "[ . +1 . -2]" 1 496 1 29 ASN HA 1 30 GLU QB . . 5.000 5.289 5.181 5.431 0.431 6 0 "[ . 1 . 2]" 1 497 1 78 LYS HA 1 78 LYS QD . . 4.800 3.300 1.993 4.154 . 0 0 "[ . 1 . 2]" 1 498 1 42 VAL H 1 43 LYS QD . . 5.000 5.215 4.279 5.932 0.932 10 11 "[ ******-*+* * 2]" 1 499 1 44 LYS H 1 44 LYS QD . . 4.830 2.687 2.004 4.615 . 0 0 "[ . 1 . 2]" 1 500 1 72 CYS QB 1 82 GLU QB . . 4.570 3.756 3.454 4.112 . 0 0 "[ . 1 . 2]" 1 501 1 72 CYS H 1 72 CYS QB . . 3.410 2.559 2.130 2.819 . 0 0 "[ . 1 . 2]" 1 502 1 43 LYS H 1 43 LYS QD . . 4.690 4.004 2.585 4.724 0.034 8 0 "[ . 1 . 2]" 1 503 1 43 LYS QD 1 51 PHE QD . . 4.990 5.197 3.748 5.787 0.797 9 7 "[* ** **+1- . 2]" 1 504 1 44 LYS QD 1 51 PHE QD . . 5.000 5.619 4.698 6.247 1.247 2 16 "[*+*** * *****-** * *]" 1 505 1 44 LYS QD 1 45 THR HA . . 4.320 4.499 3.931 5.445 1.125 19 5 "[ .* * 1 -. * +2]" 1 506 1 39 LYS QD 1 40 CYS HA . . 5.000 3.756 3.050 5.557 0.557 2 1 "[ + . 1 . 2]" 1 507 1 42 VAL HA 1 43 LYS QD . . 5.000 5.081 3.260 5.943 0.943 4 10 "[ * +******- * 2]" 1 508 1 69 LYS HA 1 69 LYS QD . . 3.820 3.218 2.085 4.234 0.414 4 0 "[ . 1 . 2]" 1 509 1 12 ARG HG2 1 13 ILE H . . 4.980 4.647 3.984 5.144 0.164 11 0 "[ . 1 . 2]" 1 510 1 12 ARG H 1 12 ARG HG2 . . 5.010 3.363 2.251 4.704 . 0 0 "[ . 1 . 2]" 1 511 1 12 ARG HG3 1 13 ILE H . . 4.890 4.476 3.551 5.201 0.311 7 0 "[ . 1 . 2]" 1 512 1 52 ALA MB 1 54 ILE QG . . 3.700 3.213 2.638 3.998 0.298 3 0 "[ . 1 . 2]" 1 513 1 40 CYS H 1 40 CYS QB . . 3.850 2.922 2.412 3.286 . 0 0 "[ . 1 . 2]" 1 514 1 32 ARG H 1 32 ARG QG . . 4.650 2.906 2.502 3.374 . 0 0 "[ . 1 . 2]" 1 515 1 38 LEU H 1 38 LEU HG . . 4.670 3.608 2.290 4.583 . 0 0 "[ . 1 . 2]" 1 516 1 54 ILE H 1 54 ILE QG . . 4.510 2.864 2.048 3.731 . 0 0 "[ . 1 . 2]" 1 517 1 54 ILE QG 1 55 GLU H . . 5.000 4.560 4.364 4.747 . 0 0 "[ . 1 . 2]" 1 518 1 27 VAL QG 1 54 ILE QG . . 4.060 2.554 1.811 3.560 . 0 0 "[ . 1 . 2]" 1 519 1 37 ILE MD 1 40 CYS QB . . 3.900 2.921 2.015 3.845 . 0 0 "[ . 1 . 2]" 1 520 1 60 ARG QG 1 61 ASP H . . 4.800 2.975 2.222 4.208 . 0 0 "[ . 1 . 2]" 1 521 1 80 ARG QG 1 81 VAL H . . 4.340 3.898 3.500 4.121 . 0 0 "[ . 1 . 2]" 1 522 1 80 ARG QB 1 80 ARG QG . . 2.460 2.011 1.999 2.034 . 0 0 "[ . 1 . 2]" 1 523 1 80 ARG H 1 80 ARG QG . . 3.970 3.857 3.493 4.196 0.226 10 0 "[ . 1 . 2]" 1 524 1 88 ARG H 1 88 ARG QG . . 4.630 4.087 3.046 4.464 . 0 0 "[ . 1 . 2]" 1 525 1 60 ARG H 1 60 ARG QG . . 3.590 3.176 1.789 4.142 0.552 7 1 "[ . + 1 . 2]" 1 526 1 25 ARG QG 1 26 ASP H . . 4.200 3.967 3.562 4.695 0.495 9 0 "[ . 1 . 2]" 1 527 1 25 ARG H 1 25 ARG QG . . 4.000 3.819 2.581 4.190 0.190 8 0 "[ . 1 . 2]" 1 528 1 18 LEU QD 1 52 ALA H . . 5.240 3.665 3.059 4.567 . 0 0 "[ . 1 . 2]" 1 529 1 18 LEU H 1 18 LEU QD . . 5.050 2.122 1.710 3.683 . 0 0 "[ . 1 . 2]" 1 530 1 13 ILE H 1 13 ILE QG . . 4.710 3.124 2.560 3.761 . 0 0 "[ . 1 . 2]" 1 531 1 44 LYS H 1 44 LYS QG . . 4.600 3.773 3.391 4.409 . 0 0 "[ . 1 . 2]" 1 532 1 43 LYS QG 1 44 LYS QE . . 4.130 5.364 4.657 6.272 2.142 17 20 [*-**************+***] 1 533 1 43 LYS QG 1 53 PHE QB . . 5.000 3.806 2.864 4.292 . 0 0 "[ . 1 . 2]" 1 534 1 39 LYS QE 1 43 LYS QG . . 5.000 5.865 5.689 6.071 1.071 12 20 [***-*******+********] 1 535 1 43 LYS H 1 43 LYS QG . . 4.160 2.867 2.399 3.392 . 0 0 "[ . 1 . 2]" 1 536 1 27 VAL QG 1 28 GLU H . . 4.530 2.721 2.004 3.445 . 0 0 "[ . 1 . 2]" 1 537 1 27 VAL QG 1 28 GLU QB . . 5.000 3.851 3.214 4.590 . 0 0 "[ . 1 . 2]" 1 538 1 22 VAL QG 1 27 VAL QG . . 4.270 2.097 1.689 2.567 . 0 0 "[ . 1 . 2]" 1 539 1 27 VAL H 1 27 VAL QG . . 3.420 2.050 1.747 2.399 . 0 0 "[ . 1 . 2]" 1 540 1 69 LYS H 1 69 LYS QG . . 4.740 2.704 2.264 3.225 . 0 0 "[ . 1 . 2]" 1 541 1 43 LYS H 1 52 ALA MB . . 4.920 4.593 4.111 5.388 0.468 4 0 "[ . 1 . 2]" 1 542 1 42 VAL H 1 52 ALA MB . . 4.430 5.393 5.030 6.125 1.695 4 20 [***+********-*******] 1 543 1 41 ASP H 1 52 ALA MB . . 5.000 4.986 4.408 5.669 0.669 4 2 "[ +. -1 . 2]" 1 544 1 52 ALA MB 1 53 PHE H . . 3.670 2.782 2.519 2.942 . 0 0 "[ . 1 . 2]" 1 545 1 51 PHE HA 1 52 ALA MB . . 4.820 4.067 3.958 4.198 . 0 0 "[ . 1 . 2]" 1 546 1 42 VAL HA 1 52 ALA MB . . 3.760 3.528 3.204 4.233 0.473 4 0 "[ . 1 . 2]" 1 547 1 52 ALA MB 1 53 PHE QB . . 5.010 4.421 4.272 4.593 . 0 0 "[ . 1 . 2]" 1 548 1 42 VAL QG 1 52 ALA MB . . 3.330 2.782 2.130 3.194 . 0 0 "[ . 1 . 2]" 1 549 1 18 LEU QD 1 52 ALA MB . . 3.660 3.177 2.704 3.819 0.159 3 0 "[ . 1 . 2]" 1 550 1 52 ALA MB 1 54 ILE H . . 5.080 4.963 4.577 5.387 0.307 1 0 "[ . 1 . 2]" 1 551 1 51 PHE H 1 52 ALA MB . . 5.000 4.940 4.731 5.200 0.200 4 0 "[ . 1 . 2]" 1 552 1 33 LYS QG 1 34 TYR H . . 4.870 2.895 2.302 3.963 . 0 0 "[ . 1 . 2]" 1 553 1 33 LYS QG 1 34 TYR QE . . 5.070 3.287 2.699 3.928 . 0 0 "[ . 1 . 2]" 1 554 1 33 LYS QG 1 62 ALA MB . . 4.500 6.351 5.366 7.303 2.803 15 20 [**-***********+*****] 1 555 1 33 LYS H 1 33 LYS QG . . 4.170 3.368 2.487 3.969 . 0 0 "[ . 1 . 2]" 1 556 1 15 VAL QG 1 16 GLY H . . 4.290 3.190 2.639 3.759 . 0 0 "[ . 1 . 2]" 1 557 1 42 VAL QG 1 43 LYS H . . 3.730 2.967 2.627 3.356 . 0 0 "[ . 1 . 2]" 1 558 1 80 ARG HA 1 81 VAL QG . . 4.810 3.862 3.327 4.173 . 0 0 "[ . 1 . 2]" 1 559 1 15 VAL QG 1 16 GLY HA2 . . 4.280 3.746 3.409 4.338 0.058 10 0 "[ . 1 . 2]" 1 560 1 41 ASP HA 1 42 VAL QG . . 5.100 3.583 3.287 4.022 . 0 0 "[ . 1 . 2]" 1 561 1 24 SER H 1 42 VAL QG . . 4.870 3.038 2.271 4.234 . 0 0 "[ . 1 . 2]" 1 562 1 42 VAL H 1 42 VAL QG . . 3.810 2.537 2.155 3.105 . 0 0 "[ . 1 . 2]" 1 563 1 23 SER HA 1 42 VAL QG . . 4.850 3.340 2.425 4.708 . 0 0 "[ . 1 . 2]" 1 564 1 27 VAL QG 1 31 PHE QE . . 4.600 3.001 2.054 4.062 . 0 0 "[ . 1 . 2]" 1 565 1 27 VAL QG 1 54 ILE MD . . 3.810 2.602 1.981 3.147 . 0 0 "[ . 1 . 2]" 1 566 1 45 THR MG 1 51 PHE H . . 4.790 5.499 5.188 5.646 0.856 7 18 "[******+-******** * *]" 1 567 1 44 LYS HA 1 45 THR MG . . 4.660 4.221 3.801 4.565 . 0 0 "[ . 1 . 2]" 1 568 1 45 THR MG 1 49 ALA H . . 4.770 2.490 2.124 3.058 . 0 0 "[ . 1 . 2]" 1 569 1 80 ARG QG 1 81 VAL QG . . 4.530 4.437 4.189 5.022 0.492 10 0 "[ . 1 . 2]" 1 570 1 80 ARG QD 1 81 VAL QG . . 4.360 4.300 3.848 4.990 0.630 7 1 "[ . + 1 . 2]" 1 571 1 81 VAL H 1 81 VAL QG . . 4.040 2.697 2.080 3.137 . 0 0 "[ . 1 . 2]" 1 572 1 38 LEU HA 1 38 LEU QD . . 3.750 2.522 2.171 3.282 . 0 0 "[ . 1 . 2]" 1 573 1 45 THR H 1 45 THR MG . . 3.420 2.308 2.065 2.634 . 0 0 "[ . 1 . 2]" 1 574 1 45 THR HA 1 45 THR MG . . 3.200 3.248 3.228 3.276 0.076 11 0 "[ . 1 . 2]" 1 575 1 45 THR MG 1 47 SER H . . 5.000 1.873 1.720 2.102 . 0 0 "[ . 1 . 2]" 1 576 1 45 THR H 1 50 ALA MB . . 4.730 4.688 4.357 5.246 0.516 17 1 "[ . 1 . + 2]" 1 577 1 50 ALA MB 1 51 PHE H . . 3.550 2.843 2.613 3.048 . 0 0 "[ . 1 . 2]" 1 578 1 50 ALA H 1 50 ALA MB . . 3.400 2.474 2.338 2.604 . 0 0 "[ . 1 . 2]" 1 579 1 44 LYS HA 1 50 ALA MB . . 3.890 3.789 3.422 4.473 0.583 17 1 "[ . 1 . + 2]" 1 580 1 49 ALA HA 1 50 ALA MB . . 4.320 3.991 3.826 4.184 . 0 0 "[ . 1 . 2]" 1 581 1 44 LYS QE 1 50 ALA MB . . 4.850 4.259 2.093 5.072 0.222 12 0 "[ . 1 . 2]" 1 582 1 42 VAL QG 1 50 ALA MB . . 4.050 3.371 2.869 3.692 . 0 0 "[ . 1 . 2]" 1 583 1 18 LEU QD 1 50 ALA MB . . 4.220 3.048 2.238 4.605 0.385 10 0 "[ . 1 . 2]" 1 584 1 22 VAL QG 1 27 VAL H . . 5.000 3.605 2.474 4.502 . 0 0 "[ . 1 . 2]" 1 585 1 42 VAL QG 1 43 LYS HA . . 5.000 3.836 3.513 4.139 . 0 0 "[ . 1 . 2]" 1 586 1 46 VAL MG2 1 47 SER H . . 4.440 3.747 2.827 3.988 . 0 0 "[ . 1 . 2]" 1 587 1 18 LEU H 1 49 ALA MB . . 4.690 5.068 4.206 5.490 0.800 3 11 "[**+ ****-** .* 2]" 1 588 1 49 ALA MB 1 50 ALA HA . . 5.290 4.237 4.078 4.360 . 0 0 "[ . 1 . 2]" 1 589 1 10 VAL QG 1 11 SER H . . 4.720 3.190 2.469 3.653 . 0 0 "[ . 1 . 2]" 1 590 1 17 ASN H 1 49 ALA MB . . 5.260 2.999 2.763 3.241 . 0 0 "[ . 1 . 2]" 1 591 1 49 ALA MB 1 50 ALA H . . 3.430 2.929 2.558 3.074 . 0 0 "[ . 1 . 2]" 1 592 1 49 ALA H 1 49 ALA MB . . 3.240 2.307 2.208 2.348 . 0 0 "[ . 1 . 2]" 1 593 1 17 ASN HA 1 49 ALA MB . . 3.920 3.044 2.291 3.418 . 0 0 "[ . 1 . 2]" 1 594 1 48 GLY H 1 49 ALA MB . . 5.120 4.472 4.209 4.724 . 0 0 "[ . 1 . 2]" 1 595 1 45 THR MG 1 49 ALA MB . . 2.780 2.308 2.102 2.711 . 0 0 "[ . 1 . 2]" 1 596 1 9 SER HA 1 10 VAL QG . . 5.000 3.417 3.088 3.785 . 0 0 "[ . 1 . 2]" 1 597 1 87 ALA MB 1 88 ARG HB2 . . 4.390 4.399 3.729 4.981 0.591 1 3 "[+ . - .* 2]" 1 598 1 87 ALA MB 1 88 ARG HA . . 4.820 4.418 3.883 5.187 0.367 9 0 "[ . 1 . 2]" 1 599 1 87 ALA H 1 87 ALA MB . . 3.440 2.821 2.261 2.977 . 0 0 "[ . 1 . 2]" 1 600 1 87 ALA MB 1 89 GLU H . . 4.980 4.470 2.174 5.693 0.713 1 2 "[+ .- 1 . 2]" 1 601 1 59 ALA MB 1 88 ARG H . . 5.090 3.807 2.359 5.796 0.706 18 2 "[ . - 1 . + 2]" 1 602 1 59 ALA MB 1 60 ARG HA . . 4.170 3.692 3.510 3.881 . 0 0 "[ . 1 . 2]" 1 603 1 59 ALA MB 1 88 ARG QG . . 3.850 3.101 1.855 4.081 0.231 1 0 "[ . 1 . 2]" 1 604 1 59 ALA MB 1 60 ARG H . . 4.040 2.889 2.524 3.342 . 0 0 "[ . 1 . 2]" 1 605 1 59 ALA H 1 59 ALA MB . . 3.210 2.253 2.065 2.390 . 0 0 "[ . 1 . 2]" 1 606 1 59 ALA MB 1 88 ARG HA . . 5.090 3.257 2.055 5.479 0.389 7 0 "[ . 1 . 2]" 1 607 1 59 ALA MB 1 88 ARG HB3 . . 4.010 3.914 2.781 4.694 0.684 8 5 "[ * . + -** . 2]" 1 608 1 65 ALA MB 1 66 ILE H . . 3.760 2.742 2.391 3.087 . 0 0 "[ . 1 . 2]" 1 609 1 65 ALA H 1 65 ALA MB . . 3.170 2.325 2.176 2.448 . 0 0 "[ . 1 . 2]" 1 610 1 65 ALA MB 1 66 ILE HA . . 5.260 3.791 3.592 3.991 . 0 0 "[ . 1 . 2]" 1 611 1 62 ALA HA 1 65 ALA MB . . 3.660 3.444 3.024 3.875 0.215 10 0 "[ . 1 . 2]" 1 612 1 62 ALA MB 1 65 ALA MB . . 4.210 3.610 3.146 4.082 . 0 0 "[ . 1 . 2]" 1 613 1 65 ALA MB 1 66 ILE MG . . 4.330 4.728 4.235 5.354 1.024 9 8 "[*** .** +*- . 2]" 1 614 1 65 ALA MB 1 66 ILE MD . . 5.000 5.444 4.336 5.766 0.766 5 10 "[ * +*** ** * - *2]" 1 615 1 13 ILE H 1 13 ILE MG . . 4.220 3.868 3.698 4.041 . 0 0 "[ . 1 . 2]" 1 616 1 13 ILE HA 1 13 ILE MG . . 3.710 2.581 2.372 2.938 . 0 0 "[ . 1 . 2]" 1 617 1 66 ILE MG 1 82 GLU HA . . 4.940 4.641 4.050 5.047 0.107 4 0 "[ . 1 . 2]" 1 618 1 13 ILE MG 1 14 TYR H . . 4.400 2.496 2.313 2.709 . 0 0 "[ . 1 . 2]" 1 619 1 13 ILE MG 1 85 PHE QE . . 4.440 4.498 4.069 4.955 0.515 17 1 "[ . 1 . + 2]" 1 620 1 62 ALA MB 1 65 ALA H . . 5.120 4.450 4.063 4.742 . 0 0 "[ . 1 . 2]" 1 621 1 62 ALA MB 1 63 ALA H . . 3.650 2.968 2.786 3.179 . 0 0 "[ . 1 . 2]" 1 622 1 34 TYR H 1 62 ALA MB . . 5.000 5.033 3.582 5.811 0.811 15 5 "[ . - 1 +* **]" 1 623 1 62 ALA H 1 62 ALA MB . . 3.320 2.200 2.082 2.276 . 0 0 "[ . 1 . 2]" 1 624 1 59 ALA HA 1 62 ALA MB . . 3.570 3.171 2.757 3.815 0.245 3 0 "[ . 1 . 2]" 1 625 1 62 ALA MB 1 63 ALA HA . . 5.000 4.105 3.735 4.572 . 0 0 "[ . 1 . 2]" 1 626 1 13 ILE MG 1 54 ILE HB . . 4.860 4.099 3.766 4.661 . 0 0 "[ . 1 . 2]" 1 627 1 22 VAL QG 1 54 ILE QG . . 4.580 4.531 4.006 5.205 0.625 15 1 "[ . 1 + 2]" 1 628 1 18 LEU HB2 1 22 VAL QG . . 5.000 4.369 2.509 5.297 0.297 14 0 "[ . 1 . 2]" 1 629 1 22 VAL QG 1 23 SER HA . . 5.070 4.243 3.771 4.508 . 0 0 "[ . 1 . 2]" 1 630 1 63 ALA MB 1 64 ASP H . . 3.510 2.856 2.672 2.995 . 0 0 "[ . 1 . 2]" 1 631 1 63 ALA H 1 63 ALA MB . . 3.110 2.256 2.205 2.319 . 0 0 "[ . 1 . 2]" 1 632 1 60 ARG HA 1 63 ALA MB . . 3.500 2.787 2.263 3.379 . 0 0 "[ . 1 . 2]" 1 633 1 63 ALA MB 1 65 ALA H . . 4.720 4.886 4.664 5.163 0.443 3 0 "[ . 1 . 2]" 1 634 1 63 ALA MB 1 67 LYS H . . 5.000 4.318 4.037 4.542 . 0 0 "[ . 1 . 2]" 1 635 1 63 ALA MB 1 64 ASP HA . . 5.020 4.154 3.848 4.342 . 0 0 "[ . 1 . 2]" 1 636 1 60 ARG QG 1 63 ALA MB . . 3.920 4.531 3.258 4.863 0.943 14 18 "[****** ******+*** -*]" 1 637 1 37 ILE MD 1 54 ILE HA . . 5.050 5.294 4.601 5.938 0.888 5 8 "[*** + ***- . 2]" 1 638 1 37 ILE MD 1 38 LEU HA . . 5.210 3.487 3.180 3.880 . 0 0 "[ . 1 . 2]" 1 639 1 37 ILE MD 1 38 LEU H . . 4.030 3.631 3.224 3.951 . 0 0 "[ . 1 . 2]" 1 640 1 37 ILE MD 1 40 CYS H . . 4.450 3.286 2.194 4.032 . 0 0 "[ . 1 . 2]" 1 641 1 37 ILE MD 1 55 GLU H . . 5.000 4.811 4.025 5.642 0.642 8 1 "[ . + 1 . 2]" 1 642 1 28 GLU H 1 37 ILE MD . . 5.000 5.042 4.487 5.709 0.709 15 3 "[ * - 1 + 2]" 1 643 1 37 ILE H 1 37 ILE MD . . 4.590 3.992 3.725 4.261 . 0 0 "[ . 1 . 2]" 1 644 1 37 ILE MD 1 39 LYS H . . 3.670 3.230 2.838 3.589 . 0 0 "[ . 1 . 2]" 1 645 1 37 ILE MD 1 39 LYS HA . . 4.930 3.227 2.364 4.066 . 0 0 "[ . 1 . 2]" 1 646 1 37 ILE HA 1 37 ILE MD . . 3.900 3.729 3.515 3.863 . 0 0 "[ . 1 . 2]" 1 647 1 37 ILE MD 1 37 ILE MG . . 4.000 2.018 1.908 3.214 . 0 0 "[ . 1 . 2]" 1 648 1 37 ILE MD 1 38 LEU QD . . 5.250 4.499 4.134 4.965 . 0 0 "[ . 1 . 2]" 1 649 1 66 ILE MD 1 82 GLU HA . . 4.110 2.631 1.975 4.632 0.522 9 1 "[ . +1 . 2]" 1 650 1 66 ILE HB 1 66 ILE MD . . 3.290 3.067 2.647 3.280 . 0 0 "[ . 1 . 2]" 1 651 1 66 ILE MD 1 67 LYS HA . . 4.230 4.509 3.604 5.394 1.164 6 9 "[****.+*-*1* . 2]" 1 652 1 66 ILE MD 1 70 ASP QB . . 5.000 3.618 2.708 4.236 . 0 0 "[ . 1 . 2]" 1 653 1 66 ILE MD 1 67 LYS QB . . 5.000 5.249 4.457 6.094 1.094 9 8 "[****.*- +1* . 2]" 1 654 1 66 ILE MD 1 81 VAL QG . . 2.990 2.414 1.866 3.338 0.348 8 0 "[ . 1 . 2]" 1 655 1 66 ILE MD 1 81 VAL H . . 5.180 5.153 4.499 5.792 0.612 9 1 "[ . +1 . 2]" 1 656 1 66 ILE MD 1 83 VAL H . . 4.830 2.683 1.888 4.588 . 0 0 "[ . 1 . 2]" 1 657 1 13 ILE H 1 13 ILE MD . . 4.840 3.956 2.548 4.513 . 0 0 "[ . 1 . 2]" 1 658 1 13 ILE MD 1 31 PHE QD . . 4.810 3.523 2.615 4.285 . 0 0 "[ . 1 . 2]" 1 659 1 13 ILE MD 1 85 PHE QE . . 3.940 2.961 1.948 3.554 . 0 0 "[ . 1 . 2]" 1 660 1 13 ILE MD 1 85 PHE QD . . 5.000 4.423 3.025 5.298 0.298 3 0 "[ . 1 . 2]" 1 661 1 13 ILE MD 1 31 PHE QE . . 3.730 3.048 1.981 4.437 0.707 8 3 "[ * + 1 - 2]" 1 662 1 13 ILE HB 1 13 ILE MD . . 3.750 2.527 2.225 2.932 . 0 0 "[ . 1 . 2]" 1 663 1 13 ILE MD 1 13 ILE MG . . 3.530 2.214 1.866 3.146 . 0 0 "[ . 1 . 2]" 1 664 1 54 ILE H 1 54 ILE MD . . 4.770 3.052 2.170 3.977 . 0 0 "[ . 1 . 2]" 1 665 1 54 ILE MD 1 55 GLU H . . 5.000 5.243 4.893 5.538 0.538 5 3 "[ + - 1* . 2]" 1 666 1 31 PHE QD 1 54 ILE MD . . 4.440 3.413 2.635 4.070 . 0 0 "[ . 1 . 2]" 1 667 1 54 ILE MD 1 85 PHE QE . . 5.250 5.749 4.662 6.504 1.254 17 14 "[ **.** ** ***.-+***]" 1 668 1 54 ILE MD 1 85 PHE QD . . 5.000 6.974 5.940 7.685 2.685 17 20 [*-**************+***] 1 669 1 31 PHE QE 1 54 ILE MD . . 5.450 3.005 2.321 3.477 . 0 0 "[ . 1 . 2]" 1 670 1 52 ALA MB 1 54 ILE MD . . 4.540 3.007 2.196 4.031 . 0 0 "[ . 1 . 2]" 1 671 1 22 VAL QG 1 54 ILE MD . . 3.490 3.887 3.403 4.572 1.082 14 5 "[- *. * * +. 2]" 1 672 1 14 TYR QD 1 15 VAL H . . 3.900 3.858 3.508 4.135 0.235 8 0 "[ . 1 . 2]" 1 673 1 14 TYR QD 1 16 GLY HA3 . . 4.160 4.186 3.505 4.626 0.466 7 0 "[ . 1 . 2]" 1 674 1 31 PHE HA 1 34 TYR QD . . 3.120 2.498 1.967 3.112 . 0 0 "[ . 1 . 2]" 1 675 1 34 TYR QD 1 65 ALA MB . . 3.520 2.746 2.049 3.184 . 0 0 "[ . 1 . 2]" 1 676 1 51 PHE H 1 51 PHE QE . . 3.840 4.550 4.315 4.906 1.066 17 18 "[-**** * ********+***]" 1 677 1 44 LYS HA 1 51 PHE QE . . 3.760 3.738 3.272 4.279 0.519 8 3 "[ .* + 1 . -2]" 1 678 1 51 PHE HA 1 51 PHE QE . . 4.000 4.830 4.640 5.045 1.045 15 20 [**-***********+*****] 1 679 1 45 THR MG 1 51 PHE QE . . 3.410 2.650 1.971 3.001 . 0 0 "[ . 1 . 2]" 1 680 1 27 VAL QG 1 31 PHE QD . . 3.290 2.563 1.941 3.180 . 0 0 "[ . 1 . 2]" 1 681 1 31 PHE QD 1 34 TYR QD . . 3.650 3.917 3.144 4.715 1.065 14 5 "[ **. 1 *+.- 2]" 1 682 1 31 PHE QD 1 35 GLY H . . 5.000 5.069 4.192 6.523 1.523 12 5 "[ * . -1 + . * *]" 1 683 1 31 PHE H 1 31 PHE QD . . 3.830 2.998 2.459 3.512 . 0 0 "[ . 1 . 2]" 1 684 1 31 PHE HA 1 31 PHE QD . . 3.700 2.926 2.508 3.172 . 0 0 "[ . 1 . 2]" 1 685 1 27 VAL HB 1 31 PHE QD . . 3.670 4.029 2.362 4.824 1.154 12 11 "[ * -*** 1 + ***** 2]" 1 686 1 30 GLU QG 1 31 PHE QD . . 5.000 4.328 3.250 5.311 0.311 10 0 "[ . 1 . 2]" 1 687 1 74 PHE QD 1 75 GLU HG3 . . 3.630 3.488 2.329 4.609 0.979 14 6 "[* *. * 1 +.* - 2]" 1 688 1 45 THR MG 1 51 PHE QD . . 4.130 4.278 3.853 4.465 0.335 8 0 "[ . 1 . 2]" 1 689 1 43 LYS QG 1 51 PHE QD . . 5.000 4.897 3.870 5.605 0.605 2 5 "[*+* . *- . 2]" 1 690 1 13 ILE QG 1 31 PHE QE . . 3.740 4.377 2.328 5.464 1.724 1 11 "[+* *. * ***** .* -]" 1 691 1 34 TYR H 1 34 TYR QE . . 4.360 4.674 4.250 5.042 0.682 11 6 "[ *-. * *+ * . 2]" 1 692 1 34 TYR QE 1 65 ALA MB . . 3.890 3.004 2.156 3.458 . 0 0 "[ . 1 . 2]" 1 693 1 14 TYR QE 1 16 GLY H . . 4.090 4.373 4.025 4.619 0.529 5 2 "[- + 1 . 2]" 1 694 1 31 PHE QE 1 56 PHE QE . . 4.520 3.853 2.545 4.475 . 0 0 "[ . 1 . 2]" 1 695 1 31 PHE HA 1 56 PHE QE . . 5.500 4.867 4.164 6.222 0.722 6 1 "[ .+ 1 . 2]" 1 696 1 31 PHE QB 1 56 PHE QE . . 4.230 3.191 2.311 4.870 0.640 6 1 "[ .+ 1 . 2]" 1 697 1 56 PHE QD 1 65 ALA MB . . 4.500 6.069 5.363 7.234 2.734 6 20 [*****+********-*****] 1 698 1 56 PHE QE 1 65 ALA MB . . 4.000 4.925 3.755 6.657 2.657 6 14 "[*** .+* ***** .-** *]" 1 699 1 34 TYR QB 1 56 PHE QE . . 4.740 4.036 2.874 6.023 1.283 13 3 "[ . 1 +*. - 2]" 1 700 1 34 TYR QB 1 56 PHE QD . . 5.060 4.586 2.988 6.153 1.093 13 2 "[ . 1 +-. 2]" 1 701 1 31 PHE QD 1 69 LYS QG . . 5.480 5.771 4.875 7.000 1.520 17 8 "[ * *.* *1 * -. + *]" 1 stop_ save_ save_distance_constraint_statistics_2 _Distance_constraint_stats_list.Sf_category distance_constraint_statistics _Distance_constraint_stats_list.Constraint_list_ID 2 _Distance_constraint_stats_list.Constraint_count 47 _Distance_constraint_stats_list.Viol_count 940 _Distance_constraint_stats_list.Viol_total 7894.241 _Distance_constraint_stats_list.Viol_max 3.087 _Distance_constraint_stats_list.Viol_rms 0.1950 _Distance_constraint_stats_list.Viol_average_all_restraints 0.4199 _Distance_constraint_stats_list.Viol_average_violations_only 0.4199 _Distance_constraint_stats_list.Cutoff_violation_report 0.500 _Distance_constraint_stats_list.Details . loop_ _Distance_constraint_stats_per_res.Atom_entity_assembly_ID _Distance_constraint_stats_per_res.Atom_comp_index_ID _Distance_constraint_stats_per_res.Atom_comp_ID _Distance_constraint_stats_per_res.Total_violation _Distance_constraint_stats_per_res.Max_violation _Distance_constraint_stats_per_res.Max_violation_model_number _Distance_constraint_stats_per_res.Over_cutoff_viol_count _Distance_constraint_stats_per_res.Over_cutoff_viol_per_model 1 11 SER 16.005 0.543 4 8 "[ *+.* *- **. * 2]" 1 13 ILE 33.315 0.654 3 20 [*-+*****************] 1 14 TYR 33.601 0.621 3 20 [**+-****************] 1 15 VAL 30.964 0.597 1 20 [+********-**********] 1 16 GLY 31.043 0.530 3 11 "[ *+ .***-* * . ***2]" 1 24 SER 16.058 0.644 4 17 "[***+******* *****- 2]" 1 25 ARG 17.138 0.678 2 20 [*+**********-*******] 1 26 ASP 16.990 0.632 3 18 "[ -+*.***************]" 1 27 VAL 16.774 0.601 4 16 "[***+*** **-****** 2]" 1 28 GLU 32.243 0.644 4 19 "[***+**-**** ********]" 1 29 ASN 40.368 1.356 6 20 [*****+******-*******] 1 30 GLU 16.990 0.632 3 18 "[ -+*.***************]" 1 31 PHE 16.774 0.601 4 16 "[***+*** **-****** 2]" 1 32 ARG 16.185 0.583 9 13 "[*** **-*+1* ** **]" 1 33 LYS 23.230 1.356 6 20 [*****+********-*****] 1 38 LEU 15.470 0.608 8 17 "[*** ***+***** - ****]" 1 39 LYS 15.230 0.569 5 18 "[****+******* **** -*]" 1 41 ASP 17.204 0.651 6 20 [*****+*********-****] 1 52 ALA 30.964 0.597 1 20 [+********-**********] 1 53 PHE 17.204 0.651 6 20 [*****+*********-****] 1 54 ILE 33.315 0.654 3 20 [*-+*****************] 1 55 GLU 30.700 0.608 8 20 [*******+**********-*] 1 56 PHE 16.005 0.543 4 8 "[ *+.* *- **. * 2]" 1 62 ALA 17.403 0.689 4 18 "[* *+* **********-***]" 1 63 ALA 16.146 0.596 10 17 "[*********+** ** * *-]" 1 64 ASP 17.525 0.644 6 20 [*****+*******-******] 1 65 ALA 17.627 0.676 4 20 [***+*****-**********] 1 66 ILE 17.403 0.689 4 18 "[* *+* **********-***]" 1 67 LYS 16.146 0.596 10 17 "[*********+** ** * *-]" 1 68 GLU 17.525 0.644 6 20 [*****+*******-******] 1 69 LYS 17.627 0.676 4 20 [***+*****-**********] 1 73 ASP 26.807 3.087 10 17 "[*********+* **.** **]" 1 79 LEU 26.807 3.087 10 17 "[*********+* **.** **]" 1 80 ARG 31.043 0.530 3 11 "[ *+ .***-* * . ***2]" 1 82 GLU 33.601 0.621 3 20 [**+-****************] 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 41 ASP H 1 53 PHE O . . 1.800 2.071 1.997 2.143 0.343 11 0 "[ . 1 . 2]" 2 2 1 41 ASP N 1 53 PHE O . . 2.400 2.989 2.967 3.051 0.651 6 20 [*****+*********-****] 2 3 1 39 LYS O 1 55 GLU H . . 1.800 2.023 1.980 2.074 0.274 11 0 "[ . 1 . 2]" 2 4 1 39 LYS O 1 55 GLU N . . 2.400 2.939 2.881 2.969 0.569 5 18 "[****+******* **** -*]" 2 5 1 38 LEU H 1 55 GLU O . . 1.800 2.029 1.937 2.097 0.297 3 0 "[ . 1 . 2]" 2 6 1 38 LEU N 1 55 GLU O . . 2.400 2.945 2.884 3.008 0.608 8 17 "[*** ***+***** - ****]" 2 7 1 15 VAL H 1 52 ALA O . . 1.800 2.047 2.012 2.099 0.299 4 0 "[ . 1 . 2]" 2 8 1 15 VAL N 1 52 ALA O . . 2.400 2.963 2.886 2.997 0.597 1 19 "[+** **-*************]" 2 9 1 15 VAL O 1 52 ALA H . . 1.800 2.025 1.963 2.059 0.259 7 0 "[ . 1 . 2]" 2 10 1 15 VAL O 1 52 ALA N . . 2.400 2.913 2.850 2.951 0.551 6 14 "[*****+***-** *. * 2]" 2 11 1 13 ILE O 1 54 ILE H . . 1.800 2.097 2.035 2.163 0.363 2 0 "[ . 1 . 2]" 2 12 1 13 ILE O 1 54 ILE N . . 2.400 3.007 2.967 3.054 0.654 3 20 [-*+*****************] 2 13 1 13 ILE H 1 54 ILE O . . 1.800 2.094 2.048 2.147 0.347 3 0 "[ . 1 . 2]" 2 14 1 13 ILE N 1 54 ILE O . . 2.400 2.868 2.826 2.911 0.511 17 2 "[ - . 1 . + 2]" 2 15 1 14 TYR O 1 82 GLU H . . 1.800 2.042 2.009 2.101 0.301 4 0 "[ . 1 . 2]" 2 16 1 14 TYR O 1 82 GLU N . . 2.400 2.977 2.944 3.007 0.607 10 20 [*********+***-******] 2 17 1 14 TYR H 1 82 GLU O . . 1.800 2.084 2.044 2.118 0.318 7 0 "[ . 1 . 2]" 2 18 1 14 TYR N 1 82 GLU O . . 2.400 2.978 2.932 3.021 0.621 3 20 [**+-****************] 2 19 1 16 GLY H 1 80 ARG O . . 1.800 2.091 1.978 2.184 0.384 5 0 "[ . 1 . 2]" 2 20 1 16 GLY N 1 80 ARG O . . 2.400 2.859 2.813 2.901 0.501 9 1 "[ . +1 . 2]" 2 21 1 16 GLY O 1 80 ARG H . . 1.800 2.102 2.037 2.140 0.340 19 0 "[ . 1 . 2]" 2 22 1 16 GLY O 1 80 ARG N . . 2.400 2.901 2.869 2.930 0.530 3 11 "[ *+ .***** * . **-2]" 2 23 1 24 SER O 1 28 GLU H . . 1.800 2.056 2.014 2.102 0.302 17 0 "[ . 1 . 2]" 2 24 1 24 SER O 1 28 GLU N . . 2.400 2.947 2.880 3.044 0.644 4 17 "[***+******* *****- 2]" 2 25 1 25 ARG O 1 29 ASN H . . 1.800 2.061 2.017 2.120 0.320 2 0 "[ . 1 . 2]" 2 26 1 25 ARG O 1 29 ASN N . . 2.400 2.996 2.922 3.078 0.678 2 20 [*+**********-*******] 2 27 1 26 ASP O 1 30 GLU H . . 1.800 2.103 2.004 2.239 0.439 2 0 "[ . 1 . 2]" 2 28 1 26 ASP O 1 30 GLU N . . 2.400 2.946 2.883 3.032 0.632 3 18 "[ -+*.***************]" 2 29 1 27 VAL O 1 31 PHE H . . 1.800 2.104 2.026 2.221 0.421 2 0 "[ . 1 . 2]" 2 30 1 27 VAL O 1 31 PHE N . . 2.400 2.935 2.881 3.001 0.601 4 16 "[***+*** **-****** 2]" 2 31 1 28 GLU O 1 32 ARG H . . 1.800 2.092 2.000 2.153 0.353 8 0 "[ . 1 . 2]" 2 32 1 28 GLU O 1 32 ARG N . . 2.400 2.917 2.858 2.983 0.583 9 13 "[*** **-*+1* ** **]" 2 33 1 29 ASN O 1 33 LYS H . . 1.800 2.218 2.115 2.775 0.975 6 3 "[ .+ *-1 . 2]" 2 34 1 29 ASN O 1 33 LYS N . . 2.400 3.143 2.983 3.756 1.356 6 20 [*****+********-*****] 2 35 1 62 ALA O 1 66 ILE H . . 1.800 2.080 1.987 2.166 0.366 7 0 "[ . 1 . 2]" 2 36 1 62 ALA O 1 66 ILE N . . 2.400 2.990 2.898 3.089 0.689 4 18 "[* *+* **********-***]" 2 37 1 63 ALA O 1 67 LYS H . . 1.800 2.072 2.047 2.139 0.339 8 0 "[ . 1 . 2]" 2 38 1 63 ALA O 1 67 LYS N . . 2.400 2.935 2.858 2.996 0.596 10 17 "[*********+** ** * *-]" 2 39 1 64 ASP O 1 68 GLU H . . 1.800 2.114 2.067 2.154 0.354 10 0 "[ . 1 . 2]" 2 40 1 64 ASP O 1 68 GLU N . . 2.400 2.963 2.904 3.044 0.644 6 20 [*****+*******-******] 2 41 1 65 ALA O 1 69 LYS H . . 1.800 2.104 2.057 2.156 0.356 17 0 "[ . 1 . 2]" 2 42 1 65 ALA O 1 69 LYS N . . 2.400 2.977 2.917 3.076 0.676 4 20 [***+*****-**********] 2 43 1 11 SER O 1 56 PHE H . . 1.800 2.098 2.053 2.143 0.343 4 0 "[ . 1 . 2]" 2 44 1 11 SER O 1 56 PHE N . . 2.400 2.903 2.878 2.943 0.543 4 8 "[ *+.* *- **. * 2]" 2 45 1 73 ASP H 1 79 LEU O . . 1.800 2.076 1.993 2.319 0.519 11 2 "[ . -+ . 2]" 2 46 1 73 ASP N 1 79 LEU O . . 2.400 2.909 2.859 2.955 0.555 8 15 "[*******+*1 -*.** **]" 2 47 1 73 ASP O 1 79 LEU H . . 1.800 2.355 2.049 4.887 3.087 10 2 "[ . +- . 2]" 2 stop_ save_
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