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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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608967 |
5kjg ![]() ![]() |
30120 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 0 HA1 ACE 0 5.921 -0.773 -9.085 2 H2 ACE 0 HA2 ACE 0 5.993 0.981 -9.234 3 H3 ACE 0 HA3 ACE 0 5.391 0.276 -7.736 4 H MET 1 HN MET 1 7.496 2.133 -7.864 5 HA MET 1 HA MET 1 9.956 0.623 -7.535 6 HB2 MET 1 HB2 MET 1 10.025 2.796 -8.672 7 HB3 MET 1 HB1 MET 1 9.398 3.580 -7.228 8 HG2 MET 1 HG2 MET 1 11.410 2.914 -6.002 9 HG3 MET 1 HG1 MET 1 12.040 2.156 -7.464 10 HE1 MET 1 HE1 MET 1 12.528 5.245 -9.826 11 HE2 MET 1 HE2 MET 1 11.084 4.239 -9.704 12 HE3 MET 1 HE3 MET 1 12.683 3.495 -9.662 13 H ASP 2 HN ASP 2 11.053 0.325 -5.626 14 HA ASP 2 HA ASP 2 9.969 1.414 -3.156 15 HB2 ASP 2 HB2 ASP 2 10.168 -1.563 -3.657 16 HB3 ASP 2 HB1 ASP 2 9.845 -0.825 -2.091 17 H TRP 3 HN TRP 3 11.558 1.887 -1.755 18 HA TRP 3 HA TRP 3 13.637 2.075 -0.837 19 HB2 TRP 3 HB2 TRP 3 13.407 -0.309 -0.350 20 HB3 TRP 3 HB1 TRP 3 13.971 -0.704 -1.967 21 HD1 TRP 3 HD1 TRP 3 16.424 -1.490 -1.957 22 HE1 TRP 3 HE1 TRP 3 18.519 -0.984 -0.545 23 HE3 TRP 3 HE3 TRP 3 14.418 1.911 1.182 24 HZ2 TRP 3 HZ2 TRP 3 19.215 0.677 1.646 25 HZ3 TRP 3 HZ3 TRP 3 15.830 2.943 2.931 26 HH2 TRP 3 HH2 TRP 3 18.188 2.331 3.151 27 H GLY 4 HN GLY 4 15.991 2.171 -1.382 28 HA2 GLY 4 HA1 GLY 4 16.458 3.537 -3.756 29 HA3 GLY 4 HA2 GLY 4 17.697 2.792 -2.751 30 H THR 5 HN THR 5 16.092 0.210 -3.197 31 HA THR 5 HA THR 5 16.047 -0.592 -5.838 32 HB THR 5 HB THR 5 18.390 -0.214 -6.086 33 HG1 THR 5 HG1 THR 5 17.387 -2.448 -6.579 34 HG21 THR 5 HG21 THR 5 18.984 -0.088 -3.708 35 HG22 THR 5 HG22 THR 5 20.076 -1.156 -4.589 36 HG23 THR 5 HG23 THR 5 18.806 -1.837 -3.572 37 H LEU 6 HN LEU 6 14.259 -1.378 -4.410 38 HA LEU 6 HA LEU 6 14.735 -4.153 -3.661 39 HB2 LEU 6 HB1 LEU 6 15.031 -2.477 -1.676 40 HB3 LEU 6 HB2 LEU 6 13.284 -2.391 -1.721 41 HG LEU 6 HG LEU 6 13.963 -5.136 -1.654 42 HD11 LEU 6 HD21 LEU 6 15.496 -3.462 0.336 43 HD12 LEU 6 HD22 LEU 6 16.179 -4.539 -0.885 44 HD13 LEU 6 HD23 LEU 6 15.251 -5.206 0.459 45 HD21 LEU 6 HD11 LEU 6 12.890 -3.213 0.408 46 HD22 LEU 6 HD12 LEU 6 12.872 -4.970 0.577 47 HD23 LEU 6 HD13 LEU 6 11.954 -4.198 -0.716 48 H GLN 7 HN GLN 7 12.308 -4.644 -2.426 49 HA GLN 7 HA GLN 7 10.243 -3.533 -4.118 50 HB2 GLN 7 HB2 GLN 7 10.533 -5.352 -5.483 51 HB3 GLN 7 HB1 GLN 7 11.222 -6.336 -4.201 52 HG2 GLN 7 HG1 GLN 7 9.171 -7.327 -4.801 53 HG3 GLN 7 HG2 GLN 7 8.928 -6.534 -3.244 54 HE21 GLN 7 HE21 GLN 7 7.549 -4.798 -3.098 55 HE22 GLN 7 HE22 GLN 7 6.501 -4.315 -4.383 56 H THR 8 HN THR 8 10.715 -6.143 -1.704 57 HA THR 8 HA THR 8 8.196 -5.769 -0.512 58 HB THR 8 HB THR 8 9.254 -7.840 -0.046 59 HG1 THR 8 HG1 THR 8 8.234 -6.548 1.805 60 HG21 THR 8 HG21 THR 8 11.572 -7.142 -0.417 61 HG22 THR 8 HG22 THR 8 11.412 -8.038 1.093 62 HG23 THR 8 HG23 THR 8 11.563 -6.282 1.123 63 H ILE 9 HN ILE 9 7.825 -3.663 -0.188 64 HA ILE 9 HA ILE 9 8.926 -2.504 2.207 65 HB ILE 9 HB ILE 9 9.647 -1.675 -0.506 66 HG12 ILE 9 HG12 ILE 9 11.262 -2.520 1.134 67 HG13 ILE 9 HG11 ILE 9 11.672 -0.894 0.598 68 HG21 ILE 9 HG21 ILE 9 9.867 0.726 0.121 69 HG22 ILE 9 HG22 ILE 9 8.892 0.394 1.553 70 HG23 ILE 9 HG23 ILE 9 8.201 0.175 -0.055 71 HD11 ILE 9 HD11 ILE 9 10.338 -1.613 3.199 72 HD12 ILE 9 HD12 ILE 9 10.745 0.018 2.664 73 HD13 ILE 9 HD13 ILE 9 12.026 -1.152 2.984 74 H LEU 10 HN LEU 10 6.891 -2.130 -0.614 75 HA LEU 10 HA LEU 10 4.641 -1.340 0.996 76 HB2 LEU 10 HB2 LEU 10 5.445 0.823 0.877 77 HB3 LEU 10 HB1 LEU 10 6.128 0.591 -0.720 78 HG LEU 10 HG LEU 10 3.267 0.318 -0.838 79 HD11 LEU 10 HD11 LEU 10 3.325 1.720 1.180 80 HD12 LEU 10 HD12 LEU 10 2.614 2.552 -0.204 81 HD13 LEU 10 HD13 LEU 10 4.264 2.923 0.296 82 HD21 LEU 10 HD21 LEU 10 3.492 1.912 -2.589 83 HD22 LEU 10 HD22 LEU 10 4.897 0.844 -2.661 84 HD23 LEU 10 HD23 LEU 10 5.050 2.460 -1.969 85 H GLY 11 HN GLY 11 2.808 -2.063 0.086 86 HA2 GLY 11 HA2 GLY 11 2.726 -2.453 -2.822 87 HA3 GLY 11 HA1 GLY 11 2.410 -3.833 -1.782 88 H ARG 12 HN ARG 12 1.398 -0.700 -0.745 89 HA ARG 12 HA ARG 12 -0.651 0.197 -0.336 90 HB2 ARG 12 HB2 ARG 12 -0.563 0.174 -2.894 91 HB3 ARG 12 HB1 ARG 12 -1.603 -1.240 -2.809 92 HG2 ARG 12 HG1 ARG 12 -2.940 0.712 -3.207 93 HG3 ARG 12 HG2 ARG 12 -3.275 0.101 -1.586 94 HD2 ARG 12 HD2 ARG 12 -3.080 2.536 -1.597 95 HD3 ARG 12 HD1 ARG 12 -1.808 1.793 -0.629 96 HE ARG 12 HE ARG 12 -0.888 2.204 -3.262 97 HH11 ARG 12 HH11 ARG 12 -0.588 5.259 -0.690 98 HH12 ARG 12 HH12 ARG 12 -1.688 3.962 -0.361 99 HH21 ARG 12 HH21 ARG 12 0.691 5.228 -2.589 100 HH22 ARG 12 HH22 ARG 12 0.563 3.907 -3.702 101 H VAL 13 HN VAL 13 0.021 -2.626 0.518 102 HA VAL 13 HA VAL 13 -2.523 -3.982 0.608 103 HB VAL 13 HB VAL 13 -1.371 -5.634 2.022 104 HG11 VAL 13 HG11 VAL 13 0.251 -6.404 0.352 105 HG12 VAL 13 HG12 VAL 13 0.190 -4.825 -0.429 106 HG13 VAL 13 HG13 VAL 13 -1.245 -5.849 -0.399 107 HG21 VAL 13 HG21 VAL 13 0.095 -4.142 3.257 108 HG22 VAL 13 HG22 VAL 13 0.994 -3.777 1.785 109 HG23 VAL 13 HG23 VAL 13 1.035 -5.404 2.462 110 H ASN 14 HN ASN 14 -3.371 -4.753 2.757 111 HA ASN 14 HA ASN 14 -4.391 -4.282 4.731 112 HB2 ASN 14 HB2 ASN 14 -2.119 -4.445 5.621 113 HB3 ASN 14 HB1 ASN 14 -1.836 -2.748 5.247 114 HD21 ASN 14 HD21 ASN 14 -1.403 -2.224 7.371 115 HD22 ASN 14 HD22 ASN 14 -2.635 -2.155 8.580 116 H LYS 15 HN LYS 15 -6.140 -3.093 4.118 117 HA LYS 15 HA LYS 15 -6.112 -0.302 4.802 118 HB2 LYS 15 HB1 LYS 15 -7.165 0.291 2.514 119 HB3 LYS 15 HB2 LYS 15 -5.417 0.147 2.629 120 HG2 LYS 15 HG2 LYS 15 -6.022 -0.944 0.642 121 HG3 LYS 15 HG1 LYS 15 -5.686 -2.227 1.806 122 HD2 LYS 15 HD2 LYS 15 -8.074 -2.498 2.216 123 HD3 LYS 15 HD1 LYS 15 -8.426 -1.189 1.087 124 HE2 LYS 15 HE2 LYS 15 -7.099 -3.814 0.419 125 HE3 LYS 15 HE1 LYS 15 -8.759 -3.360 0.034 126 HZ1 LYS 15 HZ1 LYS 15 -7.908 -1.578 -1.361 127 HZ2 LYS 15 HZ2 LYS 15 -7.310 -3.075 -1.871 128 HZ3 LYS 15 HZ3 LYS 15 -6.317 -2.022 -0.997 129 H HIS 16 HN HIS 16 -8.313 0.674 4.595 130 HA HIS 16 HA HIS 16 -10.477 -1.295 4.557 131 HB2 HIS 16 HB2 HIS 16 -9.965 0.628 6.837 132 HB3 HIS 16 HB1 HIS 16 -11.421 -0.345 6.651 133 HD1 HIS 16 HD1 HIS 16 -7.978 -0.466 7.924 134 HD2 HIS 16 HD2 HIS 16 -10.976 -3.177 6.958 135 HE1 HIS 16 HE1 HIS 16 -7.294 -2.635 8.997 136 HE2 HIS 16 HE2 HIS 16 -9.123 -4.262 8.400 137 H SER 17 HN SER 17 -12.154 -0.581 3.419 138 HA SER 17 HA SER 17 -12.666 2.303 3.271 139 HB2 SER 17 HB1 SER 17 -11.370 1.724 1.265 140 HB3 SER 17 HB2 SER 17 -12.535 0.461 0.869 141 HG SER 17 HG SER 17 -14.052 1.988 0.434 142 H THR 18 HN THR 18 -13.825 -0.529 4.189 143 HA THR 18 HA THR 18 -16.316 -0.854 2.968 144 HB THR 18 HB THR 18 -15.665 -1.404 5.871 145 HG1 THR 18 HG1 THR 18 -14.433 -2.385 3.843 146 HG21 THR 18 HG21 THR 18 -17.388 -3.144 5.665 147 HG22 THR 18 HG22 THR 18 -17.714 -2.620 4.013 148 HG23 THR 18 HG23 THR 18 -18.051 -1.537 5.363 149 H SER 19 HN SER 19 -15.180 1.544 5.143 150 HA SER 19 HA SER 19 -17.527 2.352 6.412 151 HB2 SER 19 HB2 SER 19 -15.135 3.984 5.530 152 HB3 SER 19 HB1 SER 19 -16.396 4.576 6.614 153 HG SER 19 HG SER 19 -15.844 2.758 7.989 154 H ILE 20 HN ILE 20 -19.306 3.388 5.759 155 HA ILE 20 HA ILE 20 -19.513 4.145 2.952 156 HB ILE 20 HB ILE 20 -21.930 4.376 3.405 157 HG12 ILE 20 HG12 ILE 20 -21.225 3.388 6.179 158 HG13 ILE 20 HG11 ILE 20 -21.711 5.036 5.793 159 HG21 ILE 20 HG21 ILE 20 -20.730 1.767 4.325 160 HG22 ILE 20 HG22 ILE 20 -21.017 2.246 2.653 161 HG23 ILE 20 HG23 ILE 20 -22.379 1.995 3.744 162 HD11 ILE 20 HD11 ILE 20 -23.396 2.568 5.450 163 HD12 ILE 20 HD12 ILE 20 -23.884 4.213 5.040 164 HD13 ILE 20 HD13 ILE 20 -23.559 3.781 6.719 165 H GLY 21 HN GLY 21 -20.470 6.171 2.305 166 HA2 GLY 21 HA2 GLY 21 -21.161 8.337 3.787 167 HA3 GLY 21 HA1 GLY 21 -19.405 8.380 3.822 168 H LYS 22 HN LYS 22 -19.385 7.139 1.067 169 HA LYS 22 HA LYS 22 -19.683 9.662 -0.376 170 HB2 LYS 22 HB1 LYS 22 -17.528 8.484 -0.526 171 HB3 LYS 22 HB2 LYS 22 -18.342 7.081 -1.204 172 HG2 LYS 22 HG1 LYS 22 -18.999 8.390 -3.152 173 HG3 LYS 22 HG2 LYS 22 -18.201 9.809 -2.471 174 HD2 LYS 22 HD2 LYS 22 -16.057 8.628 -2.527 175 HD3 LYS 22 HD1 LYS 22 -16.856 7.213 -3.215 176 HE2 LYS 22 HE1 LYS 22 -16.707 9.946 -4.480 177 HE3 LYS 22 HE2 LYS 22 -15.740 8.545 -4.937 178 HZ1 LYS 22 HZ1 LYS 22 -18.698 8.734 -5.115 179 HZ2 LYS 22 HZ2 LYS 22 -17.770 7.390 -5.555 180 HZ3 LYS 22 HZ3 LYS 22 -17.622 8.837 -6.417 Start of MODEL 2 1 H1 ACE 0 HA1 ACE 0 6.113 -0.610 -8.993 2 H2 ACE 0 HA2 ACE 0 6.798 -2.125 -9.575 3 H3 ACE 0 HA3 ACE 0 6.802 -0.723 -10.641 4 H MET 1 HN MET 1 7.358 0.428 -7.632 5 HA MET 1 HA MET 1 10.215 -0.119 -7.572 6 HB2 MET 1 HB2 MET 1 10.022 1.792 -9.097 7 HB3 MET 1 HB1 MET 1 9.116 2.681 -7.880 8 HG2 MET 1 HG2 MET 1 11.063 2.659 -6.409 9 HG3 MET 1 HG1 MET 1 11.972 1.766 -7.627 10 HE1 MET 1 HE1 MET 1 12.219 4.374 -10.536 11 HE2 MET 1 HE2 MET 1 10.985 3.132 -10.321 12 HE3 MET 1 HE3 MET 1 12.677 2.764 -9.981 13 H ASP 2 HN ASP 2 11.004 -0.144 -5.549 14 HA ASP 2 HA ASP 2 9.667 1.315 -3.419 15 HB2 ASP 2 HB2 ASP 2 9.940 -1.697 -3.378 16 HB3 ASP 2 HB1 ASP 2 9.471 -0.713 -1.995 17 H TRP 3 HN TRP 3 11.070 1.963 -1.864 18 HA TRP 3 HA TRP 3 13.047 2.336 -0.787 19 HB2 TRP 3 HB2 TRP 3 12.862 -0.011 -0.104 20 HB3 TRP 3 HB1 TRP 3 13.608 -0.514 -1.614 21 HD1 TRP 3 HD1 TRP 3 16.062 -1.201 -1.248 22 HE1 TRP 3 HE1 TRP 3 17.981 -0.443 0.296 23 HE3 TRP 3 HE3 TRP 3 13.623 2.428 1.250 24 HZ2 TRP 3 HZ2 TRP 3 18.384 1.486 2.339 25 HZ3 TRP 3 HZ3 TRP 3 14.803 3.719 3.001 26 HH2 TRP 3 HH2 TRP 3 17.145 3.248 3.530 27 H GLY 4 HN GLY 4 15.423 2.549 -1.142 28 HA2 GLY 4 HA1 GLY 4 16.062 3.733 -3.544 29 HA3 GLY 4 HA2 GLY 4 17.239 3.039 -2.433 30 H THR 5 HN THR 5 16.104 0.388 -2.641 31 HA THR 5 HA THR 5 16.072 -0.576 -5.301 32 HB THR 5 HB THR 5 18.632 -1.119 -3.766 33 HG1 THR 5 HG1 THR 5 18.339 0.217 -6.261 34 HG21 THR 5 HG21 THR 5 17.880 -3.055 -5.047 35 HG22 THR 5 HG22 THR 5 19.315 -2.342 -5.784 36 HG23 THR 5 HG23 THR 5 17.725 -2.055 -6.491 37 H LEU 6 HN LEU 6 14.195 -1.439 -4.204 38 HA LEU 6 HA LEU 6 14.630 -4.071 -3.113 39 HB2 LEU 6 HB1 LEU 6 14.843 -2.279 -1.242 40 HB3 LEU 6 HB2 LEU 6 13.105 -2.140 -1.400 41 HG LEU 6 HG LEU 6 13.795 -4.900 -1.062 42 HD11 LEU 6 HD21 LEU 6 14.951 -2.983 0.964 43 HD12 LEU 6 HD22 LEU 6 15.847 -4.138 -0.027 44 HD13 LEU 6 HD23 LEU 6 14.743 -4.717 1.221 45 HD21 LEU 6 HD11 LEU 6 12.372 -4.582 0.956 46 HD22 LEU 6 HD12 LEU 6 11.638 -3.974 -0.528 47 HD23 LEU 6 HD13 LEU 6 12.362 -2.849 0.624 48 H GLN 7 HN GLN 7 12.211 -4.646 -2.085 49 HA GLN 7 HA GLN 7 10.166 -3.532 -3.800 50 HB2 GLN 7 HB2 GLN 7 11.061 -6.393 -3.907 51 HB3 GLN 7 HB1 GLN 7 9.392 -5.975 -4.269 52 HG2 GLN 7 HG2 GLN 7 11.681 -4.632 -5.658 53 HG3 GLN 7 HG1 GLN 7 11.040 -6.177 -6.210 54 HE21 GLN 7 HE21 GLN 7 8.181 -3.282 -6.227 55 HE22 GLN 7 HE22 GLN 7 9.027 -3.694 -4.780 56 H THR 8 HN THR 8 10.800 -6.066 -1.355 57 HA THR 8 HA THR 8 8.168 -6.044 -0.343 58 HB THR 8 HB THR 8 9.464 -7.935 0.259 59 HG1 THR 8 HG1 THR 8 8.218 -6.624 2.032 60 HG21 THR 8 HG21 THR 8 11.463 -6.060 1.530 61 HG22 THR 8 HG22 THR 8 11.685 -6.910 0.001 62 HG23 THR 8 HG23 THR 8 11.557 -7.821 1.505 63 H ILE 9 HN ILE 9 7.502 -3.999 -0.136 64 HA ILE 9 HA ILE 9 8.331 -2.600 2.255 65 HB ILE 9 HB ILE 9 8.930 -1.776 -0.496 66 HG12 ILE 9 HG12 ILE 9 10.653 -2.324 1.171 67 HG13 ILE 9 HG11 ILE 9 10.826 -0.682 0.562 68 HG21 ILE 9 HG21 ILE 9 8.813 0.653 0.068 69 HG22 ILE 9 HG22 ILE 9 7.874 0.221 1.497 70 HG23 ILE 9 HG23 ILE 9 7.247 -0.133 -0.114 71 HD11 ILE 9 HD11 ILE 9 9.606 -1.464 3.201 72 HD12 ILE 9 HD12 ILE 9 9.788 0.181 2.594 73 HD13 ILE 9 HD13 ILE 9 11.216 -0.788 2.956 74 H LEU 10 HN LEU 10 6.451 -2.095 -0.687 75 HA LEU 10 HA LEU 10 3.989 -1.955 0.837 76 HB2 LEU 10 HB1 LEU 10 5.266 0.365 -0.494 77 HB3 LEU 10 HB2 LEU 10 3.543 0.187 -0.740 78 HG LEU 10 HG LEU 10 3.540 1.566 1.082 79 HD11 LEU 10 HD21 LEU 10 3.096 0.309 3.125 80 HD12 LEU 10 HD22 LEU 10 3.806 -1.131 2.394 81 HD13 LEU 10 HD23 LEU 10 2.326 -0.444 1.727 82 HD21 LEU 10 HD11 LEU 10 5.197 1.542 2.875 83 HD22 LEU 10 HD12 LEU 10 5.950 1.729 1.291 84 HD23 LEU 10 HD13 LEU 10 5.999 0.170 2.112 85 H GLY 11 HN GLY 11 2.089 -2.175 -0.452 86 HA2 GLY 11 HA2 GLY 11 2.428 -2.673 -3.297 87 HA3 GLY 11 HA1 GLY 11 1.984 -4.070 -2.328 88 H ARG 12 HN ARG 12 0.816 -1.005 -1.311 89 HA ARG 12 HA ARG 12 -1.274 -0.123 -1.156 90 HB2 ARG 12 HB1 ARG 12 -1.599 -1.408 -3.874 91 HB3 ARG 12 HB2 ARG 12 -2.674 -0.196 -3.191 92 HG2 ARG 12 HG2 ARG 12 -0.878 1.432 -3.183 93 HG3 ARG 12 HG1 ARG 12 0.247 0.218 -3.794 94 HD2 ARG 12 HD2 ARG 12 -2.212 1.225 -5.221 95 HD3 ARG 12 HD1 ARG 12 -0.549 1.687 -5.581 96 HE ARG 12 HE ARG 12 -0.917 -1.135 -5.709 97 HH11 ARG 12 HH11 ARG 12 -1.414 1.833 -7.467 98 HH12 ARG 12 HH12 ARG 12 -1.371 1.069 -9.021 99 HH21 ARG 12 HH21 ARG 12 -1.055 -1.193 -9.182 100 HH22 ARG 12 HH22 ARG 12 -0.858 -2.148 -7.752 101 H VAL 13 HN VAL 13 -0.727 -2.989 -0.349 102 HA VAL 13 HA VAL 13 -3.498 -3.984 -0.393 103 HB VAL 13 HB VAL 13 -2.530 -6.192 0.222 104 HG11 VAL 13 HG11 VAL 13 -1.634 -6.700 -2.004 105 HG12 VAL 13 HG12 VAL 13 -1.477 -4.974 -2.329 106 HG13 VAL 13 HG13 VAL 13 -3.074 -5.686 -2.095 107 HG21 VAL 13 HG21 VAL 13 -0.122 -6.550 -0.060 108 HG22 VAL 13 HG22 VAL 13 -0.464 -5.420 1.251 109 HG23 VAL 13 HG23 VAL 13 0.103 -4.818 -0.306 110 H ASN 14 HN ASN 14 -1.231 -2.486 1.559 111 HA ASN 14 HA ASN 14 -2.315 -3.638 4.030 112 HB2 ASN 14 HB2 ASN 14 0.062 -1.818 3.596 113 HB3 ASN 14 HB1 ASN 14 -0.453 -2.458 5.154 114 HD21 ASN 14 HD21 ASN 14 1.001 -3.193 2.088 115 HD22 ASN 14 HD22 ASN 14 1.619 -4.745 2.524 116 H LYS 15 HN LYS 15 -3.581 -2.506 5.390 117 HA LYS 15 HA LYS 15 -3.728 0.364 5.320 118 HB2 LYS 15 HB1 LYS 15 -5.159 -0.302 3.392 119 HB3 LYS 15 HB2 LYS 15 -6.173 -1.215 4.502 120 HG2 LYS 15 HG1 LYS 15 -6.770 0.822 5.674 121 HG3 LYS 15 HG2 LYS 15 -5.704 1.758 4.623 122 HD2 LYS 15 HD2 LYS 15 -7.057 1.077 2.682 123 HD3 LYS 15 HD1 LYS 15 -8.144 0.205 3.765 124 HE2 LYS 15 HE2 LYS 15 -8.693 2.291 4.905 125 HE3 LYS 15 HE1 LYS 15 -7.590 3.168 3.846 126 HZ1 LYS 15 HZ1 LYS 15 -8.963 2.546 1.958 127 HZ2 LYS 15 HZ2 LYS 15 -9.880 3.379 3.110 128 HZ3 LYS 15 HZ3 LYS 15 -10.019 1.698 2.973 129 H HIS 16 HN HIS 16 -5.499 -2.560 6.319 130 HA HIS 16 HA HIS 16 -5.479 -1.536 9.069 131 HB2 HIS 16 HB2 HIS 16 -7.882 -2.644 7.606 132 HB3 HIS 16 HB1 HIS 16 -7.814 -2.427 9.353 133 HD1 HIS 16 HD1 HIS 16 -8.846 -0.738 6.364 134 HD2 HIS 16 HD2 HIS 16 -7.278 0.437 10.030 135 HE1 HIS 16 HE1 HIS 16 -9.398 1.706 6.579 136 HE2 HIS 16 HE2 HIS 16 -8.439 2.398 8.804 137 H SER 17 HN SER 17 -5.743 -3.184 10.700 138 HA SER 17 HA SER 17 -5.187 -5.162 11.673 139 HB2 SER 17 HB1 SER 17 -6.223 -6.305 9.066 140 HB3 SER 17 HB2 SER 17 -5.940 -7.226 10.544 141 HG SER 17 HG SER 17 -7.594 -4.965 10.644 142 H THR 18 HN THR 18 -3.323 -3.756 9.672 143 HA THR 18 HA THR 18 -1.686 -5.628 8.404 144 HB THR 18 HB THR 18 -0.795 -3.016 9.646 145 HG1 THR 18 HG1 THR 18 -2.134 -3.639 7.238 146 HG21 THR 18 HG21 THR 18 1.066 -4.447 8.970 147 HG22 THR 18 HG22 THR 18 0.928 -3.056 7.894 148 HG23 THR 18 HG23 THR 18 0.351 -4.638 7.369 149 H SER 19 HN SER 19 -2.036 -4.829 11.732 150 HA SER 19 HA SER 19 0.457 -5.620 12.742 151 HB2 SER 19 HB1 SER 19 -1.101 -4.402 14.132 152 HB3 SER 19 HB2 SER 19 -2.293 -5.696 14.004 153 HG SER 19 HG SER 19 -1.302 -6.067 15.906 154 H ILE 20 HN ILE 20 1.406 -7.543 12.841 155 HA ILE 20 HA ILE 20 0.032 -9.909 11.977 156 HB ILE 20 HB ILE 20 2.184 -11.056 12.393 157 HG12 ILE 20 HG12 ILE 20 3.164 -8.317 13.236 158 HG13 ILE 20 HG11 ILE 20 2.870 -9.658 14.338 159 HG21 ILE 20 HG21 ILE 20 3.455 -9.878 10.663 160 HG22 ILE 20 HG22 ILE 20 2.406 -8.473 10.852 161 HG23 ILE 20 HG23 ILE 20 1.745 -9.991 10.246 162 HD11 ILE 20 HD11 ILE 20 4.899 -9.608 12.118 163 HD12 ILE 20 HD12 ILE 20 4.597 -10.962 13.207 164 HD13 ILE 20 HD13 ILE 20 5.228 -9.443 13.843 165 H GLY 21 HN GLY 21 -0.580 -11.677 13.158 166 HA2 GLY 21 HA2 GLY 21 -1.141 -11.236 15.937 167 HA3 GLY 21 HA1 GLY 21 -1.527 -12.680 15.012 168 H LYS 22 HN LYS 22 1.600 -12.281 14.367 169 HA LYS 22 HA LYS 22 3.507 -13.337 15.013 170 HB2 LYS 22 HB1 LYS 22 2.443 -12.747 17.782 171 HB3 LYS 22 HB2 LYS 22 4.095 -13.216 17.405 172 HG2 LYS 22 HG2 LYS 22 4.391 -11.179 16.103 173 HG3 LYS 22 HG1 LYS 22 2.725 -10.711 16.449 174 HD2 LYS 22 HD2 LYS 22 3.241 -10.646 18.841 175 HD3 LYS 22 HD1 LYS 22 4.908 -11.108 18.493 176 HE2 LYS 22 HE2 LYS 22 3.534 -8.601 17.538 177 HE3 LYS 22 HE1 LYS 22 4.701 -8.698 18.856 178 HZ1 LYS 22 HZ1 LYS 22 5.247 -9.361 16.013 179 HZ2 LYS 22 HZ2 LYS 22 6.366 -9.450 17.277 180 HZ3 LYS 22 HZ3 LYS 22 5.738 -7.951 16.809 Start of MODEL 3 1 H1 ACE 0 HA1 ACE 0 7.594 0.630 -10.884 2 H2 ACE 0 HA2 ACE 0 7.050 1.665 -9.565 3 H3 ACE 0 HA3 ACE 0 6.871 -0.080 -9.409 4 H MET 1 HN MET 1 8.301 1.865 -7.716 5 HA MET 1 HA MET 1 10.800 0.378 -7.558 6 HB2 MET 1 HB1 MET 1 11.340 2.333 -8.952 7 HB3 MET 1 HB2 MET 1 10.728 3.399 -7.695 8 HG2 MET 1 HG2 MET 1 12.471 2.608 -6.177 9 HG3 MET 1 HG1 MET 1 13.088 1.547 -7.442 10 HE1 MET 1 HE1 MET 1 13.169 6.155 -7.672 11 HE2 MET 1 HE2 MET 1 12.561 5.253 -6.284 12 HE3 MET 1 HE3 MET 1 11.686 5.213 -7.814 13 H ASP 2 HN ASP 2 11.671 0.282 -5.495 14 HA ASP 2 HA ASP 2 10.383 1.808 -3.365 15 HB2 ASP 2 HB2 ASP 2 10.493 -1.214 -3.408 16 HB3 ASP 2 HB1 ASP 2 10.015 -0.244 -2.019 17 H TRP 3 HN TRP 3 11.586 1.852 -1.395 18 HA TRP 3 HA TRP 3 13.502 2.032 -0.177 19 HB2 TRP 3 HB2 TRP 3 13.545 -0.327 0.034 20 HB3 TRP 3 HB1 TRP 3 14.020 -0.547 -1.646 21 HD1 TRP 3 HD1 TRP 3 16.437 -1.423 -1.734 22 HE1 TRP 3 HE1 TRP 3 18.622 -0.952 -0.449 23 HE3 TRP 3 HE3 TRP 3 14.662 1.961 1.556 24 HZ2 TRP 3 HZ2 TRP 3 19.468 0.683 1.711 25 HZ3 TRP 3 HZ3 TRP 3 16.190 2.965 3.224 26 HH2 TRP 3 HH2 TRP 3 18.552 2.331 3.292 27 H GLY 4 HN GLY 4 15.184 0.488 -2.769 28 HA2 GLY 4 HA1 GLY 4 16.029 2.730 -4.239 29 HA3 GLY 4 HA2 GLY 4 17.205 2.383 -2.970 30 H THR 5 HN THR 5 15.381 -0.224 -4.123 31 HA THR 5 HA THR 5 16.410 -1.271 -6.345 32 HB THR 5 HB THR 5 18.712 -0.995 -5.552 33 HG1 THR 5 HG1 THR 5 17.748 -3.139 -6.540 34 HG21 THR 5 HG21 THR 5 18.289 -1.054 -3.142 35 HG22 THR 5 HG22 THR 5 19.530 -2.224 -3.591 36 HG23 THR 5 HG23 THR 5 17.889 -2.769 -3.249 37 H LEU 6 HN LEU 6 15.512 -1.622 -3.076 38 HA LEU 6 HA LEU 6 14.908 -4.409 -3.009 39 HB2 LEU 6 HB1 LEU 6 15.260 -2.628 -1.106 40 HB3 LEU 6 HB2 LEU 6 13.541 -2.354 -1.309 41 HG LEU 6 HG LEU 6 13.959 -5.159 -1.026 42 HD11 LEU 6 HD21 LEU 6 16.088 -4.658 0.008 43 HD12 LEU 6 HD22 LEU 6 14.939 -5.173 1.242 44 HD13 LEU 6 HD23 LEU 6 15.328 -3.461 1.058 45 HD21 LEU 6 HD11 LEU 6 12.768 -3.044 0.765 46 HD22 LEU 6 HD12 LEU 6 12.579 -4.782 0.996 47 HD23 LEU 6 HD13 LEU 6 11.919 -4.009 -0.443 48 H GLN 7 HN GLN 7 12.399 -4.651 -2.061 49 HA GLN 7 HA GLN 7 10.578 -3.281 -3.840 50 HB2 GLN 7 HB2 GLN 7 11.124 -6.221 -3.961 51 HB3 GLN 7 HB1 GLN 7 9.512 -5.621 -4.325 52 HG2 GLN 7 HG2 GLN 7 12.081 -5.011 -5.753 53 HG3 GLN 7 HG1 GLN 7 10.655 -5.834 -6.381 54 HE21 GLN 7 HE21 GLN 7 8.942 -2.450 -6.013 55 HE22 GLN 7 HE22 GLN 7 8.883 -3.862 -5.020 56 H THR 8 HN THR 8 10.771 -5.905 -1.413 57 HA THR 8 HA THR 8 8.139 -5.508 -0.482 58 HB THR 8 HB THR 8 9.132 -7.577 0.126 59 HG1 THR 8 HG1 THR 8 7.977 -6.186 1.855 60 HG21 THR 8 HG21 THR 8 11.484 -6.875 -0.031 61 HG22 THR 8 HG22 THR 8 11.169 -7.779 1.450 62 HG23 THR 8 HG23 THR 8 11.325 -6.024 1.505 63 H ILE 9 HN ILE 9 7.799 -3.375 -0.286 64 HA ILE 9 HA ILE 9 8.743 -2.140 2.154 65 HB ILE 9 HB ILE 9 9.560 -1.410 -0.558 66 HG12 ILE 9 HG12 ILE 9 11.115 -2.166 1.189 67 HG13 ILE 9 HG11 ILE 9 11.535 -0.566 0.585 68 HG21 ILE 9 HG21 ILE 9 9.735 1.025 0.010 69 HG22 ILE 9 HG22 ILE 9 8.659 0.719 1.374 70 HG23 ILE 9 HG23 ILE 9 8.097 0.440 -0.276 71 HD11 ILE 9 HD11 ILE 9 10.100 -1.158 3.165 72 HD12 ILE 9 HD12 ILE 9 10.528 0.444 2.563 73 HD13 ILE 9 HD13 ILE 9 11.795 -0.705 2.995 74 H LEU 10 HN LEU 10 6.827 -1.866 -0.766 75 HA LEU 10 HA LEU 10 4.508 -1.042 0.738 76 HB2 LEU 10 HB2 LEU 10 5.288 1.118 0.548 77 HB3 LEU 10 HB1 LEU 10 6.044 0.822 -1.004 78 HG LEU 10 HG LEU 10 3.192 0.516 -1.235 79 HD11 LEU 10 HD11 LEU 10 4.119 3.181 -0.181 80 HD12 LEU 10 HD12 LEU 10 3.155 2.009 0.718 81 HD13 LEU 10 HD13 LEU 10 2.495 2.769 -0.731 82 HD21 LEU 10 HD21 LEU 10 4.891 0.975 -3.010 83 HD22 LEU 10 HD22 LEU 10 5.009 2.621 -2.386 84 HD23 LEU 10 HD23 LEU 10 3.481 2.035 -3.044 85 H GLY 11 HN GLY 11 2.638 -1.607 -0.270 86 HA2 GLY 11 HA2 GLY 11 2.658 -2.189 -3.131 87 HA3 GLY 11 HA1 GLY 11 2.342 -3.542 -2.054 88 H ARG 12 HN ARG 12 1.283 -0.232 -1.516 89 HA ARG 12 HA ARG 12 -0.779 0.685 -1.256 90 HB2 ARG 12 HB1 ARG 12 -1.530 -1.327 -3.384 91 HB3 ARG 12 HB2 ARG 12 -2.505 0.055 -2.902 92 HG2 ARG 12 HG1 ARG 12 -0.743 1.567 -3.663 93 HG3 ARG 12 HG2 ARG 12 0.234 0.180 -4.149 94 HD2 ARG 12 HD2 ARG 12 -1.512 -0.492 -5.729 95 HD3 ARG 12 HD1 ARG 12 -2.481 0.899 -5.247 96 HE ARG 12 HE ARG 12 0.025 1.818 -6.079 97 HH11 ARG 12 HH11 ARG 12 -2.605 0.985 -8.981 98 HH12 ARG 12 HH12 ARG 12 -2.814 0.295 -7.406 99 HH21 ARG 12 HH21 ARG 12 0.309 2.729 -8.150 100 HH22 ARG 12 HH22 ARG 12 -0.830 2.368 -9.404 101 H VAL 13 HN VAL 13 0.017 -1.825 0.227 102 HA VAL 13 HA VAL 13 -2.471 -3.189 0.737 103 HB VAL 13 HB VAL 13 -0.390 -4.439 0.890 104 HG11 VAL 13 HG21 VAL 13 1.219 -4.017 2.691 105 HG12 VAL 13 HG22 VAL 13 0.303 -2.587 3.166 106 HG13 VAL 13 HG23 VAL 13 1.093 -2.645 1.591 107 HG21 VAL 13 HG11 VAL 13 -1.718 -4.124 3.579 108 HG22 VAL 13 HG12 VAL 13 -0.725 -5.492 3.076 109 HG23 VAL 13 HG13 VAL 13 -2.260 -5.172 2.268 110 H ASN 14 HN ASN 14 -3.810 -2.969 2.473 111 HA ASN 14 HA ASN 14 -3.104 -1.139 4.625 112 HB2 ASN 14 HB2 ASN 14 -5.181 0.162 4.374 113 HB3 ASN 14 HB1 ASN 14 -4.138 0.329 2.965 114 HD21 ASN 14 HD21 ASN 14 -6.358 -1.156 0.725 115 HD22 ASN 14 HD22 ASN 14 -4.741 -0.624 1.022 116 H LYS 15 HN LYS 15 -4.917 -3.736 3.325 117 HA LYS 15 HA LYS 15 -6.197 -5.369 4.244 118 HB2 LYS 15 HB2 LYS 15 -5.010 -4.358 6.835 119 HB3 LYS 15 HB1 LYS 15 -5.871 -5.878 6.638 120 HG2 LYS 15 HG2 LYS 15 -3.317 -5.152 5.218 121 HG3 LYS 15 HG1 LYS 15 -3.423 -6.144 6.674 122 HD2 LYS 15 HD2 LYS 15 -4.785 -7.777 5.469 123 HD3 LYS 15 HD1 LYS 15 -4.696 -6.782 4.013 124 HE2 LYS 15 HE2 LYS 15 -3.096 -8.621 3.920 125 HE3 LYS 15 HE1 LYS 15 -2.274 -7.061 3.958 126 HZ1 LYS 15 HZ1 LYS 15 -1.212 -8.649 5.429 127 HZ2 LYS 15 HZ2 LYS 15 -2.656 -8.873 6.281 128 HZ3 LYS 15 HZ3 LYS 15 -1.875 -7.374 6.323 129 H HIS 16 HN HIS 16 -6.476 -3.305 7.089 130 HA HIS 16 HA HIS 16 -8.954 -2.122 6.354 131 HB2 HIS 16 HB1 HIS 16 -9.704 -4.464 6.701 132 HB3 HIS 16 HB2 HIS 16 -9.101 -4.389 8.354 133 HD1 HIS 16 HD1 HIS 16 -11.929 -3.308 6.196 134 HD2 HIS 16 HD2 HIS 16 -10.657 -2.833 10.124 135 HE1 HIS 16 HE1 HIS 16 -13.903 -2.360 7.433 136 HE2 HIS 16 HE2 HIS 16 -13.112 -2.081 9.809 137 H SER 17 HN SER 17 -9.130 -0.304 7.492 138 HA SER 17 HA SER 17 -8.018 -0.210 10.210 139 HB2 SER 17 HB1 SER 17 -7.066 2.023 9.741 140 HB3 SER 17 HB2 SER 17 -6.347 0.780 8.716 141 HG SER 17 HG SER 17 -6.854 2.481 7.400 142 H THR 18 HN THR 18 -8.530 2.553 10.590 143 HA THR 18 HA THR 18 -10.167 3.984 11.257 144 HB THR 18 HB THR 18 -12.066 2.659 9.326 145 HG1 THR 18 HG1 THR 18 -9.905 4.428 8.794 146 HG21 THR 18 HG21 THR 18 -13.022 4.380 10.752 147 HG22 THR 18 HG22 THR 18 -12.912 4.970 9.094 148 HG23 THR 18 HG23 THR 18 -11.739 5.502 10.298 149 H SER 19 HN SER 19 -10.036 0.920 11.991 150 HA SER 19 HA SER 19 -12.668 0.671 13.243 151 HB2 SER 19 HB2 SER 19 -10.398 -1.296 12.884 152 HB3 SER 19 HB1 SER 19 -11.867 -1.655 13.793 153 HG SER 19 HG SER 19 -12.448 -0.622 11.362 154 H ILE 20 HN ILE 20 -12.966 1.186 15.301 155 HA ILE 20 HA ILE 20 -10.648 1.153 17.120 156 HB ILE 20 HB ILE 20 -12.878 3.193 17.143 157 HG12 ILE 20 HG11 ILE 20 -9.958 3.544 16.420 158 HG13 ILE 20 HG12 ILE 20 -11.273 3.455 15.253 159 HG21 ILE 20 HG21 ILE 20 -11.532 4.302 18.870 160 HG22 ILE 20 HG22 ILE 20 -10.386 2.962 18.827 161 HG23 ILE 20 HG23 ILE 20 -12.042 2.689 19.370 162 HD11 ILE 20 HD11 ILE 20 -12.253 5.478 16.204 163 HD12 ILE 20 HD12 ILE 20 -10.604 5.749 15.639 164 HD13 ILE 20 HD13 ILE 20 -10.928 5.570 17.364 165 H GLY 21 HN GLY 21 -10.961 -0.401 18.570 166 HA2 GLY 21 HA2 GLY 21 -12.059 -1.178 20.538 167 HA3 GLY 21 HA1 GLY 21 -13.576 -0.568 19.896 168 H LYS 22 HN LYS 22 -12.461 -1.911 17.265 169 HA LYS 22 HA LYS 22 -14.056 -4.257 17.510 170 HB2 LYS 22 HB1 LYS 22 -12.119 -3.445 15.334 171 HB3 LYS 22 HB2 LYS 22 -13.292 -4.749 15.215 172 HG2 LYS 22 HG1 LYS 22 -13.976 -1.845 15.624 173 HG3 LYS 22 HG2 LYS 22 -14.020 -2.695 14.079 174 HD2 LYS 22 HD2 LYS 22 -15.700 -4.238 14.985 175 HD3 LYS 22 HD1 LYS 22 -15.666 -3.364 16.518 176 HE2 LYS 22 HE1 LYS 22 -16.476 -2.227 13.845 177 HE3 LYS 22 HE2 LYS 22 -17.570 -2.682 15.150 178 HZ1 LYS 22 HZ1 LYS 22 -15.497 -0.559 15.291 179 HZ2 LYS 22 HZ2 LYS 22 -16.542 -0.998 16.548 180 HZ3 LYS 22 HZ3 LYS 22 -17.162 -0.305 15.134 Start of MODEL 4 1 H1 ACE 0 HA1 ACE 0 7.044 2.482 -9.429 2 H2 ACE 0 HA2 ACE 0 6.979 0.727 -9.286 3 H3 ACE 0 HA3 ACE 0 7.681 1.440 -10.737 4 H MET 1 HN MET 1 8.131 2.350 -7.347 5 HA MET 1 HA MET 1 10.819 1.267 -7.330 6 HB2 MET 1 HB1 MET 1 11.124 3.446 -8.420 7 HB3 MET 1 HB2 MET 1 10.332 4.239 -7.066 8 HG2 MET 1 HG2 MET 1 12.123 3.512 -5.582 9 HG3 MET 1 HG1 MET 1 12.915 2.700 -6.932 10 HE1 MET 1 HE1 MET 1 12.429 4.750 -9.311 11 HE2 MET 1 HE2 MET 1 13.979 3.965 -9.005 12 HE3 MET 1 HE3 MET 1 13.904 5.713 -9.226 13 H ASP 2 HN ASP 2 11.605 0.907 -5.286 14 HA ASP 2 HA ASP 2 10.198 2.016 -2.989 15 HB2 ASP 2 HB2 ASP 2 10.403 -0.963 -3.483 16 HB3 ASP 2 HB1 ASP 2 9.857 -0.224 -1.981 17 H TRP 3 HN TRP 3 11.377 1.849 -1.029 18 HA TRP 3 HA TRP 3 13.247 1.817 0.274 19 HB2 TRP 3 HB2 TRP 3 13.497 -0.509 0.063 20 HB3 TRP 3 HB1 TRP 3 13.890 -0.404 -1.649 21 HD1 TRP 3 HD1 TRP 3 16.359 -1.030 -2.030 22 HE1 TRP 3 HE1 TRP 3 18.576 -0.665 -0.765 23 HE3 TRP 3 HE3 TRP 3 14.548 1.468 1.956 24 HZ2 TRP 3 HZ2 TRP 3 19.430 0.554 1.652 25 HZ3 TRP 3 HZ3 TRP 3 16.095 2.225 3.734 26 HH2 TRP 3 HH2 TRP 3 18.494 1.773 3.574 27 H GLY 4 HN GLY 4 14.772 1.052 -2.773 28 HA2 GLY 4 HA1 GLY 4 15.636 3.586 -3.549 29 HA3 GLY 4 HA2 GLY 4 16.866 2.884 -2.494 30 H THR 5 HN THR 5 16.169 0.196 -3.257 31 HA THR 5 HA THR 5 16.517 -0.164 -6.077 32 HB THR 5 HB THR 5 18.770 -1.184 -4.341 33 HG1 THR 5 HG1 THR 5 18.834 1.150 -5.976 34 HG21 THR 5 HG21 THR 5 19.922 -1.399 -6.508 35 HG22 THR 5 HG22 THR 5 18.478 -0.801 -7.323 36 HG23 THR 5 HG23 THR 5 18.431 -2.338 -6.460 37 H LEU 6 HN LEU 6 14.905 -0.880 -3.640 38 HA LEU 6 HA LEU 6 15.059 -3.824 -3.760 39 HB2 LEU 6 HB1 LEU 6 15.311 -2.420 -1.554 40 HB3 LEU 6 HB2 LEU 6 13.567 -2.293 -1.658 41 HG LEU 6 HG LEU 6 14.247 -5.039 -1.949 42 HD11 LEU 6 HD21 LEU 6 15.605 -3.667 0.370 43 HD12 LEU 6 HD22 LEU 6 16.391 -4.556 -0.938 44 HD13 LEU 6 HD23 LEU 6 15.370 -5.409 0.220 45 HD21 LEU 6 HD11 LEU 6 12.162 -4.235 -1.051 46 HD22 LEU 6 HD12 LEU 6 13.000 -3.436 0.280 47 HD23 LEU 6 HD13 LEU 6 12.982 -5.197 0.180 48 H GLN 7 HN GLN 7 12.611 -4.475 -2.788 49 HA GLN 7 HA GLN 7 10.602 -3.013 -4.267 50 HB2 GLN 7 HB2 GLN 7 11.420 -5.824 -4.905 51 HB3 GLN 7 HB1 GLN 7 9.750 -5.327 -5.139 52 HG2 GLN 7 HG2 GLN 7 12.026 -3.785 -6.329 53 HG3 GLN 7 HG1 GLN 7 11.343 -5.198 -7.130 54 HE21 GLN 7 HE21 GLN 7 8.541 -2.304 -6.546 55 HE22 GLN 7 HE22 GLN 7 9.420 -2.976 -5.222 56 H THR 8 HN THR 8 11.128 -6.000 -2.366 57 HA THR 8 HA THR 8 8.513 -6.022 -1.312 58 HB THR 8 HB THR 8 9.694 -8.071 -1.125 59 HG1 THR 8 HG1 THR 8 8.605 -6.989 0.942 60 HG21 THR 8 HG21 THR 8 11.818 -6.605 0.445 61 HG22 THR 8 HG22 THR 8 11.970 -7.152 -1.225 62 HG23 THR 8 HG23 THR 8 11.801 -8.330 0.078 63 H ILE 9 HN ILE 9 8.000 -4.006 -0.710 64 HA ILE 9 HA ILE 9 8.941 -3.165 1.894 65 HB ILE 9 HB ILE 9 9.556 -1.859 -0.657 66 HG12 ILE 9 HG12 ILE 9 11.265 -2.793 0.841 67 HG13 ILE 9 HG11 ILE 9 11.511 -1.071 0.562 68 HG21 ILE 9 HG21 ILE 9 7.952 -0.246 0.057 69 HG22 ILE 9 HG22 ILE 9 9.555 0.425 0.357 70 HG23 ILE 9 HG23 ILE 9 8.609 -0.229 1.694 71 HD11 ILE 9 HD11 ILE 9 10.277 -2.302 3.017 72 HD12 ILE 9 HD12 ILE 9 10.527 -0.578 2.740 73 HD13 ILE 9 HD13 ILE 9 11.914 -1.659 2.882 74 H LEU 10 HN LEU 10 6.852 -2.625 -0.857 75 HA LEU 10 HA LEU 10 4.647 -1.970 0.957 76 HB2 LEU 10 HB1 LEU 10 5.936 -0.080 -0.672 77 HB3 LEU 10 HB2 LEU 10 4.427 -0.443 -1.473 78 HG LEU 10 HG LEU 10 4.336 1.520 0.073 79 HD11 LEU 10 HD11 LEU 10 2.540 -0.792 0.788 80 HD12 LEU 10 HD12 LEU 10 2.323 0.292 -0.585 81 HD13 LEU 10 HD13 LEU 10 2.200 0.916 1.060 82 HD21 LEU 10 HD21 LEU 10 4.637 -0.594 2.199 83 HD22 LEU 10 HD22 LEU 10 4.229 1.100 2.474 84 HD23 LEU 10 HD23 LEU 10 5.809 0.668 1.818 85 H GLY 11 HN GLY 11 2.541 -2.176 -0.029 86 HA2 GLY 11 HA2 GLY 11 2.230 -3.312 -2.610 87 HA3 GLY 11 HA1 GLY 11 2.122 -4.549 -1.365 88 H ARG 12 HN ARG 12 1.107 -1.367 -0.566 89 HA ARG 12 HA ARG 12 -0.894 -0.520 0.085 90 HB2 ARG 12 HB1 ARG 12 -1.839 -2.050 -2.348 91 HB3 ARG 12 HB2 ARG 12 -2.754 -0.794 -1.523 92 HG2 ARG 12 HG1 ARG 12 -1.010 0.833 -2.072 93 HG3 ARG 12 HG2 ARG 12 -0.108 -0.429 -2.915 94 HD2 ARG 12 HD2 ARG 12 -1.967 -0.728 -4.469 95 HD3 ARG 12 HD1 ARG 12 -2.882 0.519 -3.622 96 HE ARG 12 HE ARG 12 -0.400 1.564 -4.449 97 HH11 ARG 12 HH11 ARG 12 -3.394 1.590 -7.108 98 HH12 ARG 12 HH12 ARG 12 -3.466 0.529 -5.741 99 HH21 ARG 12 HH21 ARG 12 -0.297 2.965 -6.245 100 HH22 ARG 12 HH22 ARG 12 -1.592 2.974 -7.395 101 H VAL 13 HN VAL 13 -0.085 -3.179 1.118 102 HA VAL 13 HA VAL 13 -2.224 -4.948 1.348 103 HB VAL 13 HB VAL 13 0.023 -5.550 2.066 104 HG11 VAL 13 HG21 VAL 13 -0.417 -3.599 4.323 105 HG12 VAL 13 HG22 VAL 13 0.726 -3.417 2.993 106 HG13 VAL 13 HG23 VAL 13 0.947 -4.705 4.177 107 HG21 VAL 13 HG11 VAL 13 -0.532 -6.680 4.166 108 HG22 VAL 13 HG12 VAL 13 -1.846 -6.803 2.996 109 HG23 VAL 13 HG13 VAL 13 -1.961 -5.660 4.335 110 H ASN 14 HN ASN 14 -1.544 -1.969 3.057 111 HA ASN 14 HA ASN 14 -3.614 -2.390 5.024 112 HB2 ASN 14 HB1 ASN 14 -1.985 0.073 4.367 113 HB3 ASN 14 HB2 ASN 14 -3.065 -0.089 5.747 114 HD21 ASN 14 HD21 ASN 14 -0.042 -1.052 4.342 115 HD22 ASN 14 HD22 ASN 14 0.634 -1.746 5.773 116 H LYS 15 HN LYS 15 -5.688 -2.200 4.527 117 HA LYS 15 HA LYS 15 -6.571 -0.756 2.205 118 HB2 LYS 15 HB2 LYS 15 -8.154 -2.107 4.399 119 HB3 LYS 15 HB1 LYS 15 -8.828 -1.483 2.900 120 HG2 LYS 15 HG1 LYS 15 -7.479 -3.076 1.629 121 HG3 LYS 15 HG2 LYS 15 -6.809 -3.705 3.136 122 HD2 LYS 15 HD1 LYS 15 -9.046 -4.380 3.855 123 HD3 LYS 15 HD2 LYS 15 -9.723 -3.742 2.355 124 HE2 LYS 15 HE1 LYS 15 -9.452 -6.159 2.226 125 HE3 LYS 15 HE2 LYS 15 -8.398 -5.344 1.072 126 HZ1 LYS 15 HZ1 LYS 15 -6.554 -5.633 2.607 127 HZ2 LYS 15 HZ2 LYS 15 -7.243 -7.127 2.215 128 HZ3 LYS 15 HZ3 LYS 15 -7.566 -6.415 3.714 129 H HIS 16 HN HIS 16 -6.238 -0.100 5.577 130 HA HIS 16 HA HIS 16 -7.288 2.594 5.136 131 HB2 HIS 16 HB1 HIS 16 -9.127 1.283 6.139 132 HB3 HIS 16 HB2 HIS 16 -8.080 0.869 7.493 133 HD1 HIS 16 HD1 HIS 16 -10.138 3.642 6.099 134 HD2 HIS 16 HD2 HIS 16 -7.639 2.944 9.345 135 HE1 HIS 16 HE1 HIS 16 -10.530 5.563 7.675 136 HE2 HIS 16 HE2 HIS 16 -9.009 5.120 9.633 137 H SER 17 HN SER 17 -5.961 4.099 5.915 138 HA SER 17 HA SER 17 -4.310 3.554 8.248 139 HB2 SER 17 HB1 SER 17 -3.107 4.337 5.581 140 HB3 SER 17 HB2 SER 17 -2.232 4.251 7.110 141 HG SER 17 HG SER 17 -1.925 2.243 6.604 142 H THR 18 HN THR 18 -4.028 5.992 5.688 143 HA THR 18 HA THR 18 -3.843 8.273 5.870 144 HB THR 18 HB THR 18 -6.257 7.896 5.494 145 HG1 THR 18 HG1 THR 18 -5.099 10.084 6.570 146 HG21 THR 18 HG21 THR 18 -6.462 8.129 8.499 147 HG22 THR 18 HG22 THR 18 -6.822 6.697 7.536 148 HG23 THR 18 HG23 THR 18 -7.824 8.139 7.379 149 H SER 19 HN SER 19 -2.594 6.865 8.069 150 HA SER 19 HA SER 19 -3.118 8.555 10.389 151 HB2 SER 19 HB1 SER 19 -1.711 7.020 11.619 152 HB3 SER 19 HB2 SER 19 -2.841 6.078 10.642 153 HG SER 19 HG SER 19 -1.108 5.917 9.074 154 H ILE 20 HN ILE 20 -2.003 10.354 10.715 155 HA ILE 20 HA ILE 20 0.828 10.485 10.198 156 HB ILE 20 HB ILE 20 -0.022 11.026 7.975 157 HG12 ILE 20 HG11 ILE 20 1.016 13.286 7.727 158 HG13 ILE 20 HG12 ILE 20 1.072 13.410 9.483 159 HG21 ILE 20 HG21 ILE 20 -1.394 13.022 7.600 160 HG22 ILE 20 HG22 ILE 20 -1.523 13.253 9.343 161 HG23 ILE 20 HG23 ILE 20 -2.231 11.826 8.588 162 HD11 ILE 20 HD11 ILE 20 2.489 11.341 7.822 163 HD12 ILE 20 HD12 ILE 20 2.553 11.481 9.579 164 HD13 ILE 20 HD13 ILE 20 3.224 12.760 8.567 165 H GLY 21 HN GLY 21 1.841 12.016 11.434 166 HA2 GLY 21 HA2 GLY 21 0.288 14.120 12.709 167 HA3 GLY 21 HA1 GLY 21 0.928 12.889 13.787 168 H LYS 22 HN LYS 22 3.136 12.961 11.439 169 HA LYS 22 HA LYS 22 4.867 14.748 12.959 170 HB2 LYS 22 HB2 LYS 22 5.508 12.844 10.698 171 HB3 LYS 22 HB1 LYS 22 6.690 13.760 11.623 172 HG2 LYS 22 HG1 LYS 22 6.031 12.569 13.651 173 HG3 LYS 22 HG2 LYS 22 4.845 11.649 12.722 174 HD2 LYS 22 HD2 LYS 22 6.644 10.721 11.346 175 HD3 LYS 22 HD1 LYS 22 7.830 11.637 12.279 176 HE2 LYS 22 HE1 LYS 22 7.727 9.326 13.037 177 HE3 LYS 22 HE2 LYS 22 7.181 10.429 14.300 178 HZ1 LYS 22 HZ1 LYS 22 5.422 8.844 12.506 179 HZ2 LYS 22 HZ2 LYS 22 4.895 9.906 13.712 180 HZ3 LYS 22 HZ3 LYS 22 5.741 8.503 14.132 Start of MODEL 5 1 H1 ACE 0 HA1 ACE 0 12.873 -1.298 -9.542 2 H2 ACE 0 HA2 ACE 0 11.934 -2.038 -8.247 3 H3 ACE 0 HA3 ACE 0 13.401 -1.151 -7.838 4 H MET 1 HN MET 1 10.601 -0.771 -6.973 5 HA MET 1 HA MET 1 10.439 2.080 -7.627 6 HB2 MET 1 HB1 MET 1 7.991 1.940 -7.830 7 HB3 MET 1 HB2 MET 1 8.806 0.994 -9.068 8 HG2 MET 1 HG1 MET 1 8.401 -1.040 -7.758 9 HG3 MET 1 HG2 MET 1 7.545 -0.078 -6.555 10 HE1 MET 1 HE1 MET 1 6.093 -0.665 -10.897 11 HE2 MET 1 HE2 MET 1 7.552 -1.408 -10.240 12 HE3 MET 1 HE3 MET 1 7.482 0.338 -10.476 13 H ASP 2 HN ASP 2 11.262 0.311 -5.311 14 HA ASP 2 HA ASP 2 9.865 1.849 -3.267 15 HB2 ASP 2 HB2 ASP 2 10.028 -1.173 -3.204 16 HB3 ASP 2 HB1 ASP 2 9.476 -0.161 -1.872 17 H TRP 3 HN TRP 3 10.990 1.871 -1.219 18 HA TRP 3 HA TRP 3 12.839 1.999 0.108 19 HB2 TRP 3 HB2 TRP 3 13.169 -0.323 0.114 20 HB3 TRP 3 HB1 TRP 3 13.571 -0.367 -1.600 21 HD1 TRP 3 HD1 TRP 3 16.070 -0.923 -1.924 22 HE1 TRP 3 HE1 TRP 3 18.260 -0.377 -0.680 23 HE3 TRP 3 HE3 TRP 3 14.138 1.825 1.838 24 HZ2 TRP 3 HZ2 TRP 3 19.050 1.064 1.634 25 HZ3 TRP 3 HZ3 TRP 3 15.643 2.777 3.556 26 HH2 TRP 3 HH2 TRP 3 18.057 2.399 3.446 27 H GLY 4 HN GLY 4 14.377 1.038 -2.881 28 HA2 GLY 4 HA1 GLY 4 15.203 3.478 -3.883 29 HA3 GLY 4 HA2 GLY 4 16.423 2.967 -2.711 30 H THR 5 HN THR 5 15.744 0.163 -3.233 31 HA THR 5 HA THR 5 16.238 -0.503 -5.951 32 HB THR 5 HB THR 5 18.520 0.206 -5.372 33 HG1 THR 5 HG1 THR 5 18.027 -1.794 -6.657 34 HG21 THR 5 HG21 THR 5 19.804 -0.989 -3.662 35 HG22 THR 5 HG22 THR 5 18.363 -1.900 -3.214 36 HG23 THR 5 HG23 THR 5 18.419 -0.158 -2.954 37 H LEU 6 HN LEU 6 14.582 -1.033 -3.514 38 HA LEU 6 HA LEU 6 14.910 -3.957 -3.295 39 HB2 LEU 6 HB1 LEU 6 15.045 -2.315 -1.245 40 HB3 LEU 6 HB2 LEU 6 13.299 -2.314 -1.378 41 HG LEU 6 HG LEU 6 14.125 -5.024 -1.385 42 HD11 LEU 6 HD21 LEU 6 15.302 -5.136 0.778 43 HD12 LEU 6 HD22 LEU 6 15.439 -3.376 0.774 44 HD13 LEU 6 HD23 LEU 6 16.257 -4.329 -0.466 45 HD21 LEU 6 HD11 LEU 6 12.868 -5.072 0.724 46 HD22 LEU 6 HD12 LEU 6 12.013 -4.173 -0.528 47 HD23 LEU 6 HD13 LEU 6 12.864 -3.309 0.753 48 H GLN 7 HN GLN 7 12.445 -4.564 -2.233 49 HA GLN 7 HA GLN 7 10.431 -3.432 -3.973 50 HB2 GLN 7 HB2 GLN 7 10.843 -5.153 -5.426 51 HB3 GLN 7 HB1 GLN 7 11.524 -6.183 -4.176 52 HG2 GLN 7 HG1 GLN 7 9.551 -7.231 -4.905 53 HG3 GLN 7 HG2 GLN 7 9.195 -6.525 -3.330 54 HE21 GLN 7 HE21 GLN 7 6.732 -4.357 -4.493 55 HE22 GLN 7 HE22 GLN 7 7.740 -4.849 -3.180 56 H THR 8 HN THR 8 10.878 -6.158 -1.686 57 HA THR 8 HA THR 8 8.291 -5.951 -0.615 58 HB THR 8 HB THR 8 9.425 -7.995 -0.199 59 HG1 THR 8 HG1 THR 8 9.145 -6.411 2.139 60 HG21 THR 8 HG21 THR 8 11.577 -6.401 1.198 61 HG22 THR 8 HG22 THR 8 11.722 -7.162 -0.386 62 HG23 THR 8 HG23 THR 8 11.518 -8.157 1.055 63 H ILE 9 HN ILE 9 7.803 -3.886 -0.210 64 HA ILE 9 HA ILE 9 8.735 -2.793 2.289 65 HB ILE 9 HB ILE 9 9.516 -1.791 -0.353 66 HG12 ILE 9 HG12 ILE 9 11.120 -2.654 1.284 67 HG13 ILE 9 HG11 ILE 9 11.463 -0.978 0.870 68 HG21 ILE 9 HG21 ILE 9 8.602 0.120 1.792 69 HG22 ILE 9 HG22 ILE 9 7.974 -0.033 0.150 70 HG23 ILE 9 HG23 ILE 9 9.606 0.578 0.416 71 HD11 ILE 9 HD11 ILE 9 10.408 -0.257 2.956 72 HD12 ILE 9 HD12 ILE 9 11.754 -1.360 3.241 73 HD13 ILE 9 HD13 ILE 9 10.095 -1.943 3.371 74 H LEU 10 HN LEU 10 6.782 -2.448 -0.586 75 HA LEU 10 HA LEU 10 4.420 -1.904 0.907 76 HB2 LEU 10 HB2 LEU 10 5.272 0.294 1.111 77 HB3 LEU 10 HB1 LEU 10 5.819 0.325 -0.548 78 HG LEU 10 HG LEU 10 3.793 1.746 0.048 79 HD11 LEU 10 HD21 LEU 10 2.830 1.480 -2.088 80 HD12 LEU 10 HD22 LEU 10 3.315 -0.213 -2.177 81 HD13 LEU 10 HD23 LEU 10 4.534 1.057 -2.258 82 HD21 LEU 10 HD11 LEU 10 2.415 -0.932 0.004 83 HD22 LEU 10 HD12 LEU 10 1.631 0.645 0.076 84 HD23 LEU 10 HD13 LEU 10 2.632 0.096 1.420 85 H GLY 11 HN GLY 11 2.795 -2.783 -0.203 86 HA2 GLY 11 HA2 GLY 11 2.885 -2.725 -3.142 87 HA3 GLY 11 HA1 GLY 11 2.691 -4.268 -2.324 88 H ARG 12 HN ARG 12 1.274 -1.045 -1.787 89 HA ARG 12 HA ARG 12 -0.881 -0.355 -1.550 90 HB2 ARG 12 HB1 ARG 12 -1.422 -2.615 -3.486 91 HB3 ARG 12 HB2 ARG 12 -2.534 -1.307 -3.106 92 HG2 ARG 12 HG2 ARG 12 -0.950 0.310 -4.027 93 HG3 ARG 12 HG1 ARG 12 0.162 -1.005 -4.414 94 HD2 ARG 12 HD1 ARG 12 -1.103 -0.343 -6.383 95 HD3 ARG 12 HD2 ARG 12 -1.518 -1.986 -5.897 96 HE ARG 12 HE ARG 12 -3.345 -0.263 -4.695 97 HH11 ARG 12 HH11 ARG 12 -4.010 -1.053 -8.564 98 HH12 ARG 12 HH12 ARG 12 -2.431 -1.290 -7.895 99 HH21 ARG 12 HH21 ARG 12 -5.715 -0.288 -7.239 100 HH22 ARG 12 HH22 ARG 12 -5.429 0.054 -5.565 101 H VAL 13 HN VAL 13 0.185 -2.451 0.236 102 HA VAL 13 HA VAL 13 -1.649 -4.436 0.860 103 HB VAL 13 HB VAL 13 0.026 -2.885 2.838 104 HG11 VAL 13 HG11 VAL 13 -0.066 -4.942 4.170 105 HG12 VAL 13 HG12 VAL 13 -1.141 -5.663 2.972 106 HG13 VAL 13 HG13 VAL 13 -1.672 -4.263 3.904 107 HG21 VAL 13 HG21 VAL 13 1.716 -4.628 2.492 108 HG22 VAL 13 HG22 VAL 13 1.399 -3.723 1.013 109 HG23 VAL 13 HG23 VAL 13 0.718 -5.336 1.223 110 H ASN 14 HN ASN 14 -3.573 -4.505 1.865 111 HA ASN 14 HA ASN 14 -5.093 -2.154 2.209 112 HB2 ASN 14 HB1 ASN 14 -6.018 -4.427 1.698 113 HB3 ASN 14 HB2 ASN 14 -5.677 -4.887 3.363 114 HD21 ASN 14 HD21 ASN 14 -9.218 -3.684 2.851 115 HD22 ASN 14 HD22 ASN 14 -8.215 -4.760 1.945 116 H LYS 15 HN LYS 15 -4.931 -0.716 3.784 117 HA LYS 15 HA LYS 15 -4.945 -1.477 6.538 118 HB2 LYS 15 HB1 LYS 15 -2.558 -1.795 6.067 119 HB3 LYS 15 HB2 LYS 15 -2.452 -0.152 5.450 120 HG2 LYS 15 HG1 LYS 15 -1.560 -0.248 7.683 121 HG3 LYS 15 HG2 LYS 15 -3.046 0.702 7.679 122 HD2 LYS 15 HD1 LYS 15 -4.286 -1.244 8.505 123 HD3 LYS 15 HD2 LYS 15 -2.793 -2.184 8.522 124 HE2 LYS 15 HE2 LYS 15 -1.836 -0.643 10.156 125 HE3 LYS 15 HE1 LYS 15 -3.318 0.312 10.131 126 HZ1 LYS 15 HZ1 LYS 15 -3.096 -2.517 11.009 127 HZ2 LYS 15 HZ2 LYS 15 -4.521 -1.607 10.979 128 HZ3 LYS 15 HZ3 LYS 15 -3.266 -1.176 12.026 129 H HIS 16 HN HIS 16 -3.888 1.247 4.489 130 HA HIS 16 HA HIS 16 -5.897 2.922 5.839 131 HB2 HIS 16 HB2 HIS 16 -4.321 4.824 5.709 132 HB3 HIS 16 HB1 HIS 16 -3.709 3.521 6.722 133 HD1 HIS 16 HD1 HIS 16 -2.922 5.509 3.729 134 HD2 HIS 16 HD2 HIS 16 -1.575 2.011 5.524 135 HE1 HIS 16 HE1 HIS 16 -0.703 5.012 2.653 136 HE2 HIS 16 HE2 HIS 16 0.094 2.890 3.755 137 H SER 17 HN SER 17 -5.725 5.206 4.441 138 HA SER 17 HA SER 17 -6.603 6.184 2.577 139 HB2 SER 17 HB1 SER 17 -5.352 5.809 0.518 140 HB3 SER 17 HB2 SER 17 -4.243 5.866 1.886 141 HG SER 17 HG SER 17 -3.829 4.120 0.424 142 H THR 18 HN THR 18 -7.973 3.799 3.564 143 HA THR 18 HA THR 18 -8.912 2.359 1.252 144 HB THR 18 HB THR 18 -10.258 2.370 3.948 145 HG1 THR 18 HG1 THR 18 -7.717 1.753 3.502 146 HG21 THR 18 HG21 THR 18 -10.765 0.039 3.352 147 HG22 THR 18 HG22 THR 18 -9.920 0.253 1.819 148 HG23 THR 18 HG23 THR 18 -11.391 1.167 2.149 149 H SER 19 HN SER 19 -9.208 5.224 1.162 150 HA SER 19 HA SER 19 -11.982 5.848 1.609 151 HB2 SER 19 HB2 SER 19 -10.069 7.500 1.805 152 HB3 SER 19 HB1 SER 19 -9.959 7.460 0.045 153 HG SER 19 HG SER 19 -11.296 9.130 0.485 154 H ILE 20 HN ILE 20 -11.021 3.723 -0.369 155 HA ILE 20 HA ILE 20 -12.042 4.757 -2.891 156 HB ILE 20 HB ILE 20 -10.076 3.326 -2.981 157 HG12 ILE 20 HG11 ILE 20 -12.491 1.883 -4.102 158 HG13 ILE 20 HG12 ILE 20 -11.728 3.285 -4.846 159 HG21 ILE 20 HG21 ILE 20 -10.494 2.001 -0.978 160 HG22 ILE 20 HG22 ILE 20 -10.187 0.962 -2.368 161 HG23 ILE 20 HG23 ILE 20 -11.835 1.188 -1.784 162 HD11 ILE 20 HD11 ILE 20 -11.031 1.236 -5.928 163 HD12 ILE 20 HD12 ILE 20 -10.436 0.608 -4.391 164 HD13 ILE 20 HD13 ILE 20 -9.666 2.013 -5.127 165 H GLY 21 HN GLY 21 -13.953 4.197 -3.825 166 HA2 GLY 21 HA1 GLY 21 -15.672 2.296 -2.368 167 HA3 GLY 21 HA2 GLY 21 -16.280 3.882 -2.812 168 H LYS 22 HN LYS 22 -14.126 2.605 -5.088 169 HA LYS 22 HA LYS 22 -14.377 1.876 -7.226 170 HB2 LYS 22 HB2 LYS 22 -16.747 0.416 -6.047 171 HB3 LYS 22 HB1 LYS 22 -16.022 0.078 -7.613 172 HG2 LYS 22 HG1 LYS 22 -13.934 -0.551 -6.520 173 HG3 LYS 22 HG2 LYS 22 -14.650 -0.200 -4.946 174 HD2 LYS 22 HD2 LYS 22 -16.335 -1.933 -5.325 175 HD3 LYS 22 HD1 LYS 22 -15.621 -2.283 -6.901 176 HE2 LYS 22 HE1 LYS 22 -14.890 -3.896 -5.221 177 HE3 LYS 22 HE2 LYS 22 -13.536 -2.940 -5.824 178 HZ1 LYS 22 HZ1 LYS 22 -13.664 -1.567 -3.846 179 HZ2 LYS 22 HZ2 LYS 22 -13.452 -3.190 -3.423 180 HZ3 LYS 22 HZ3 LYS 22 -14.974 -2.469 -3.269 Start of MODEL 6 1 H1 ACE 0 HA1 ACE 0 11.237 -2.592 -9.111 2 H2 ACE 0 HA2 ACE 0 12.536 -1.916 -8.131 3 H3 ACE 0 HA3 ACE 0 12.538 -1.626 -9.869 4 H MET 1 HN MET 1 10.387 -1.209 -7.062 5 HA MET 1 HA MET 1 10.006 1.576 -7.798 6 HB2 MET 1 HB2 MET 1 7.544 1.400 -7.734 7 HB3 MET 1 HB1 MET 1 8.244 0.485 -9.063 8 HG2 MET 1 HG2 MET 1 8.003 -1.575 -7.773 9 HG3 MET 1 HG1 MET 1 7.298 -0.657 -6.443 10 HE1 MET 1 HE1 MET 1 4.961 0.578 -6.570 11 HE2 MET 1 HE2 MET 1 3.951 0.621 -8.015 12 HE3 MET 1 HE3 MET 1 5.498 1.467 -7.995 13 H ASP 2 HN ASP 2 11.101 -0.142 -5.572 14 HA ASP 2 HA ASP 2 9.879 1.371 -3.404 15 HB2 ASP 2 HB1 ASP 2 10.127 -1.644 -3.350 16 HB3 ASP 2 HB2 ASP 2 9.700 -0.643 -1.966 17 H TRP 3 HN TRP 3 11.301 1.878 -1.777 18 HA TRP 3 HA TRP 3 13.306 2.210 -0.744 19 HB2 TRP 3 HB2 TRP 3 13.196 -0.176 -0.231 20 HB3 TRP 3 HB1 TRP 3 13.875 -0.557 -1.807 21 HD1 TRP 3 HD1 TRP 3 16.366 -1.190 -1.646 22 HE1 TRP 3 HE1 TRP 3 18.342 -0.537 -0.128 23 HE3 TRP 3 HE3 TRP 3 13.979 2.117 1.321 24 HZ2 TRP 3 HZ2 TRP 3 18.809 1.191 2.073 25 HZ3 TRP 3 HZ3 TRP 3 15.223 3.257 3.130 26 HH2 TRP 3 HH2 TRP 3 17.599 2.796 3.492 27 H GLY 4 HN GLY 4 15.680 2.444 -1.151 28 HA2 GLY 4 HA1 GLY 4 16.201 3.814 -3.512 29 HA3 GLY 4 HA2 GLY 4 17.422 3.160 -2.426 30 H THR 5 HN THR 5 16.011 0.477 -2.936 31 HA THR 5 HA THR 5 16.185 -0.347 -5.566 32 HB THR 5 HB THR 5 18.512 0.163 -5.670 33 HG1 THR 5 HG1 THR 5 17.641 -2.209 -6.062 34 HG21 THR 5 HG21 THR 5 18.826 -1.363 -3.081 35 HG22 THR 5 HG22 THR 5 18.974 0.381 -3.287 36 HG23 THR 5 HG23 THR 5 20.146 -0.698 -4.043 37 H LEU 6 HN LEU 6 14.356 -1.235 -4.279 38 HA LEU 6 HA LEU 6 14.924 -3.969 -3.468 39 HB2 LEU 6 HB1 LEU 6 15.064 -2.278 -1.481 40 HB3 LEU 6 HB2 LEU 6 13.318 -2.256 -1.604 41 HG LEU 6 HG LEU 6 14.126 -4.976 -1.484 42 HD11 LEU 6 HD21 LEU 6 15.259 -4.956 0.716 43 HD12 LEU 6 HD22 LEU 6 15.412 -3.200 0.592 44 HD13 LEU 6 HD23 LEU 6 16.243 -4.245 -0.564 45 HD21 LEU 6 HD11 LEU 6 12.870 -4.851 0.663 46 HD22 LEU 6 HD12 LEU 6 12.005 -4.151 -0.705 47 HD23 LEU 6 HD13 LEU 6 12.797 -3.098 0.467 48 H GLN 7 HN GLN 7 12.482 -4.605 -2.373 49 HA GLN 7 HA GLN 7 10.422 -3.533 -4.087 50 HB2 GLN 7 HB1 GLN 7 10.714 -5.213 -5.574 51 HB3 GLN 7 HB2 GLN 7 11.634 -6.185 -4.437 52 HG2 GLN 7 HG1 GLN 7 9.747 -7.456 -4.899 53 HG3 GLN 7 HG2 GLN 7 9.411 -6.720 -3.336 54 HE21 GLN 7 HE21 GLN 7 7.257 -4.252 -5.234 55 HE22 GLN 7 HE22 GLN 7 8.808 -4.100 -4.493 56 H THR 8 HN THR 8 11.103 -6.107 -1.696 57 HA THR 8 HA THR 8 8.473 -6.067 -0.645 58 HB THR 8 HB THR 8 9.703 -8.043 -0.196 59 HG1 THR 8 HG1 THR 8 8.481 -6.948 1.642 60 HG21 THR 8 HG21 THR 8 11.805 -6.324 1.129 61 HG22 THR 8 HG22 THR 8 11.956 -7.106 -0.445 62 HG23 THR 8 HG23 THR 8 11.824 -8.085 1.016 63 H ILE 9 HN ILE 9 7.916 -3.993 -0.309 64 HA ILE 9 HA ILE 9 8.806 -2.820 2.174 65 HB ILE 9 HB ILE 9 9.539 -1.856 -0.486 66 HG12 ILE 9 HG12 ILE 9 11.154 -2.572 1.223 67 HG13 ILE 9 HG11 ILE 9 11.432 -0.910 0.709 68 HG21 ILE 9 HG21 ILE 9 8.483 0.078 1.572 69 HG22 ILE 9 HG22 ILE 9 7.899 -0.169 -0.076 70 HG23 ILE 9 HG23 ILE 9 9.488 0.543 0.199 71 HD11 ILE 9 HD11 ILE 9 10.342 -0.102 2.736 72 HD12 ILE 9 HD12 ILE 9 11.707 -1.156 3.109 73 HD13 ILE 9 HD13 ILE 9 10.059 -1.766 3.248 74 H LEU 10 HN LEU 10 6.834 -2.528 -0.706 75 HA LEU 10 HA LEU 10 4.435 -2.160 0.764 76 HB2 LEU 10 HB2 LEU 10 5.184 0.063 1.112 77 HB3 LEU 10 HB1 LEU 10 5.737 0.218 -0.539 78 HG LEU 10 HG LEU 10 3.625 1.485 0.144 79 HD11 LEU 10 HD21 LEU 10 3.373 -0.319 -2.247 80 HD12 LEU 10 HD22 LEU 10 4.426 1.091 -2.181 81 HD13 LEU 10 HD23 LEU 10 2.679 1.289 -2.030 82 HD21 LEU 10 HD11 LEU 10 2.545 -0.348 1.350 83 HD22 LEU 10 HD12 LEU 10 2.404 -1.252 -0.156 84 HD23 LEU 10 HD13 LEU 10 1.533 0.268 0.044 85 H GLY 11 HN GLY 11 2.943 -3.147 -0.414 86 HA2 GLY 11 HA2 GLY 11 3.071 -2.907 -3.350 87 HA3 GLY 11 HA1 GLY 11 2.878 -4.482 -2.595 88 H ARG 12 HN ARG 12 1.411 -1.280 -2.065 89 HA ARG 12 HA ARG 12 -0.750 -0.615 -1.858 90 HB2 ARG 12 HB2 ARG 12 -0.781 -1.287 -4.245 91 HB3 ARG 12 HB1 ARG 12 -1.299 -2.897 -3.764 92 HG2 ARG 12 HG2 ARG 12 -3.349 -1.958 -2.821 93 HG3 ARG 12 HG1 ARG 12 -2.830 -0.344 -3.312 94 HD2 ARG 12 HD2 ARG 12 -2.830 -1.055 -5.651 95 HD3 ARG 12 HD1 ARG 12 -3.343 -2.669 -5.163 96 HE ARG 12 HE ARG 12 -5.195 -0.854 -4.150 97 HH11 ARG 12 HH11 ARG 12 -5.580 -1.715 -8.042 98 HH12 ARG 12 HH12 ARG 12 -4.068 -1.992 -7.245 99 HH21 ARG 12 HH21 ARG 12 -7.191 -0.488 -5.191 100 HH22 ARG 12 HH22 ARG 12 -7.356 -0.861 -6.875 101 H VAL 13 HN VAL 13 -0.529 -1.431 0.377 102 HA VAL 13 HA VAL 13 -2.186 -3.807 0.887 103 HB VAL 13 HB VAL 13 0.044 -3.936 1.862 104 HG11 VAL 13 HG21 VAL 13 0.750 -2.383 3.621 105 HG12 VAL 13 HG22 VAL 13 -0.705 -1.423 3.353 106 HG13 VAL 13 HG23 VAL 13 0.509 -1.558 2.080 107 HG21 VAL 13 HG11 VAL 13 -1.795 -4.996 3.059 108 HG22 VAL 13 HG12 VAL 13 -2.090 -3.503 3.950 109 HG23 VAL 13 HG13 VAL 13 -0.582 -4.387 4.185 110 H ASN 14 HN ASN 14 -3.984 -3.697 2.164 111 HA ASN 14 HA ASN 14 -5.099 -1.053 2.582 112 HB2 ASN 14 HB1 ASN 14 -7.169 -2.264 3.156 113 HB3 ASN 14 HB2 ASN 14 -6.519 -2.784 1.605 114 HD21 ASN 14 HD21 ASN 14 -6.796 -5.349 4.731 115 HD22 ASN 14 HD22 ASN 14 -7.092 -3.657 4.913 116 H LYS 15 HN LYS 15 -6.338 -0.676 4.663 117 HA LYS 15 HA LYS 15 -4.564 -1.327 6.901 118 HB2 LYS 15 HB1 LYS 15 -5.011 1.053 6.456 119 HB3 LYS 15 HB2 LYS 15 -6.731 0.771 6.685 120 HG2 LYS 15 HG2 LYS 15 -6.315 0.134 9.009 121 HG3 LYS 15 HG1 LYS 15 -4.591 0.434 8.776 122 HD2 LYS 15 HD1 LYS 15 -5.077 2.780 8.257 123 HD3 LYS 15 HD2 LYS 15 -6.797 2.475 8.510 124 HE2 LYS 15 HE1 LYS 15 -6.342 1.857 10.834 125 HE3 LYS 15 HE2 LYS 15 -4.626 2.169 10.580 126 HZ1 LYS 15 HZ1 LYS 15 -5.153 4.482 10.113 127 HZ2 LYS 15 HZ2 LYS 15 -5.708 4.040 11.649 128 HZ3 LYS 15 HZ3 LYS 15 -6.799 4.181 10.365 129 H HIS 16 HN HIS 16 -5.266 -2.309 8.754 130 HA HIS 16 HA HIS 16 -7.836 -3.687 8.562 131 HB2 HIS 16 HB1 HIS 16 -5.652 -4.901 9.055 132 HB3 HIS 16 HB2 HIS 16 -5.682 -4.123 10.634 133 HD1 HIS 16 HD1 HIS 16 -7.213 -5.105 12.396 134 HD2 HIS 16 HD2 HIS 16 -7.722 -6.829 8.649 135 HE1 HIS 16 HE1 HIS 16 -8.686 -7.107 12.772 136 HE2 HIS 16 HE2 HIS 16 -8.983 -8.136 10.491 137 H SER 17 HN SER 17 -8.938 -4.041 10.784 138 HA SER 17 HA SER 17 -9.667 -1.459 11.778 139 HB2 SER 17 HB2 SER 17 -11.222 -2.715 13.237 140 HB3 SER 17 HB1 SER 17 -11.341 -3.231 11.555 141 HG SER 17 HG SER 17 -11.256 -5.044 12.868 142 H THR 18 HN THR 18 -6.950 -3.012 12.342 143 HA THR 18 HA THR 18 -6.852 -2.948 15.225 144 HB THR 18 HB THR 18 -4.473 -3.115 13.370 145 HG1 THR 18 HG1 THR 18 -6.475 -4.985 13.908 146 HG21 THR 18 HG21 THR 18 -3.975 -2.797 15.743 147 HG22 THR 18 HG22 THR 18 -3.505 -4.414 15.219 148 HG23 THR 18 HG23 THR 18 -4.985 -4.183 16.151 149 H SER 19 HN SER 19 -7.726 -0.533 14.402 150 HA SER 19 HA SER 19 -5.567 1.353 14.128 151 HB2 SER 19 HB1 SER 19 -7.281 3.024 13.991 152 HB3 SER 19 HB2 SER 19 -7.859 1.618 13.092 153 HG SER 19 HG SER 19 -9.504 2.346 14.419 154 H ILE 20 HN ILE 20 -5.872 -0.396 16.577 155 HA ILE 20 HA ILE 20 -5.474 -0.248 18.810 156 HB ILE 20 HB ILE 20 -4.846 2.652 18.242 157 HG12 ILE 20 HG11 ILE 20 -2.981 0.271 18.369 158 HG13 ILE 20 HG12 ILE 20 -3.526 1.034 16.878 159 HG21 ILE 20 HG21 ILE 20 -5.213 2.213 20.605 160 HG22 ILE 20 HG22 ILE 20 -3.506 2.525 20.292 161 HG23 ILE 20 HG23 ILE 20 -4.068 0.872 20.549 162 HD11 ILE 20 HD11 ILE 20 -1.883 2.338 19.034 163 HD12 ILE 20 HD12 ILE 20 -2.439 3.115 17.551 164 HD13 ILE 20 HD13 ILE 20 -1.299 1.772 17.469 165 H GLY 21 HN GLY 21 -7.366 -0.578 19.828 166 HA2 GLY 21 HA2 GLY 21 -8.662 1.551 21.146 167 HA3 GLY 21 HA1 GLY 21 -9.617 1.083 19.747 168 H LYS 22 HN LYS 22 -8.233 -1.702 20.428 169 HA LYS 22 HA LYS 22 -9.678 -2.493 22.785 170 HB2 LYS 22 HB1 LYS 22 -10.973 -4.277 21.495 171 HB3 LYS 22 HB2 LYS 22 -11.563 -2.625 21.383 172 HG2 LYS 22 HG1 LYS 22 -10.476 -2.382 19.206 173 HG3 LYS 22 HG2 LYS 22 -9.893 -4.044 19.317 174 HD2 LYS 22 HD2 LYS 22 -12.199 -4.853 19.390 175 HD3 LYS 22 HD1 LYS 22 -12.787 -3.191 19.293 176 HE2 LYS 22 HE1 LYS 22 -11.137 -4.609 17.204 177 HE3 LYS 22 HE2 LYS 22 -12.871 -4.300 17.115 178 HZ1 LYS 22 HZ1 LYS 22 -11.622 -2.673 15.848 179 HZ2 LYS 22 HZ2 LYS 22 -10.752 -2.224 17.227 180 HZ3 LYS 22 HZ3 LYS 22 -12.415 -1.928 17.144 Start of MODEL 7 1 H1 ACE 0 HA1 ACE 0 12.148 -0.660 -6.910 2 H2 ACE 0 HA2 ACE 0 13.441 0.520 -7.106 3 H3 ACE 0 HA3 ACE 0 12.618 -0.090 -8.540 4 H MET 1 HN MET 1 10.220 0.090 -6.430 5 HA MET 1 HA MET 1 9.600 2.887 -7.116 6 HB2 MET 1 HB1 MET 1 7.698 0.559 -6.788 7 HB3 MET 1 HB2 MET 1 7.222 2.218 -7.121 8 HG2 MET 1 HG2 MET 1 8.881 0.462 -8.916 9 HG3 MET 1 HG1 MET 1 7.176 0.854 -9.131 10 HE1 MET 1 HE1 MET 1 7.660 1.645 -11.621 11 HE2 MET 1 HE2 MET 1 9.366 1.251 -11.412 12 HE3 MET 1 HE3 MET 1 8.898 2.828 -12.045 13 H ASP 2 HN ASP 2 10.839 1.531 -4.676 14 HA ASP 2 HA ASP 2 9.320 3.047 -2.724 15 HB2 ASP 2 HB1 ASP 2 9.819 0.090 -2.409 16 HB3 ASP 2 HB2 ASP 2 9.258 1.148 -1.119 17 H TRP 3 HN TRP 3 11.469 0.505 -1.861 18 HA TRP 3 HA TRP 3 13.191 2.027 -0.318 19 HB2 TRP 3 HB2 TRP 3 13.136 -0.388 -0.126 20 HB3 TRP 3 HB1 TRP 3 13.703 -0.562 -1.780 21 HD1 TRP 3 HD1 TRP 3 16.208 -1.136 -1.932 22 HE1 TRP 3 HE1 TRP 3 18.283 -0.746 -0.455 23 HE3 TRP 3 HE3 TRP 3 14.028 1.542 1.740 24 HZ2 TRP 3 HZ2 TRP 3 18.897 0.557 1.989 25 HZ3 TRP 3 HZ3 TRP 3 15.390 2.350 3.641 26 HH2 TRP 3 HH2 TRP 3 17.783 1.860 3.755 27 H GLY 4 HN GLY 4 15.551 2.377 -0.725 28 HA2 GLY 4 HA1 GLY 4 16.050 4.105 -2.805 29 HA3 GLY 4 HA2 GLY 4 17.292 3.201 -1.945 30 H THR 5 HN THR 5 15.829 0.704 -2.870 31 HA THR 5 HA THR 5 15.755 0.398 -5.609 32 HB THR 5 HB THR 5 18.066 0.938 -5.836 33 HG1 THR 5 HG1 THR 5 17.241 -1.117 -6.815 34 HG21 THR 5 HG21 THR 5 18.633 -1.055 -3.638 35 HG22 THR 5 HG22 THR 5 18.733 0.699 -3.493 36 HG23 THR 5 HG23 THR 5 19.844 -0.162 -4.559 37 H LEU 6 HN LEU 6 14.044 -0.750 -4.406 38 HA LEU 6 HA LEU 6 14.669 -3.576 -4.148 39 HB2 LEU 6 HB1 LEU 6 14.987 -2.298 -1.904 40 HB3 LEU 6 HB2 LEU 6 13.238 -2.229 -1.883 41 HG LEU 6 HG LEU 6 14.013 -4.936 -2.318 42 HD11 LEU 6 HD21 LEU 6 15.235 -5.307 -0.197 43 HD12 LEU 6 HD22 LEU 6 15.397 -3.557 -0.017 44 HD13 LEU 6 HD23 LEU 6 16.171 -4.383 -1.372 45 HD21 LEU 6 HD11 LEU 6 12.864 -5.182 -0.107 46 HD22 LEU 6 HD12 LEU 6 11.934 -4.299 -1.318 47 HD23 LEU 6 HD13 LEU 6 12.762 -3.421 -0.032 48 H GLN 7 HN GLN 7 12.349 -4.484 -3.063 49 HA GLN 7 HA GLN 7 10.143 -3.108 -4.319 50 HB2 GLN 7 HB2 GLN 7 11.200 -5.735 -5.232 51 HB3 GLN 7 HB1 GLN 7 9.454 -5.513 -5.216 52 HG2 GLN 7 HG2 GLN 7 11.406 -3.697 -6.608 53 HG3 GLN 7 HG1 GLN 7 10.484 -4.982 -7.390 54 HE21 GLN 7 HE21 GLN 7 10.237 -1.924 -5.682 55 HE22 GLN 7 HE22 GLN 7 8.689 -1.482 -6.307 56 H THR 8 HN THR 8 11.069 -6.064 -2.534 57 HA THR 8 HA THR 8 8.509 -6.357 -1.354 58 HB THR 8 HB THR 8 9.850 -8.315 -1.338 59 HG1 THR 8 HG1 THR 8 8.807 -7.416 0.835 60 HG21 THR 8 HG21 THR 8 12.038 -8.463 -0.272 61 HG22 THR 8 HG22 THR 8 11.948 -6.761 0.179 62 HG23 THR 8 HG23 THR 8 12.042 -7.218 -1.522 63 H ILE 9 HN ILE 9 7.913 -4.382 -0.648 64 HA ILE 9 HA ILE 9 8.916 -3.613 1.952 65 HB ILE 9 HB ILE 9 9.422 -2.183 -0.547 66 HG12 ILE 9 HG12 ILE 9 11.178 -3.091 0.917 67 HG13 ILE 9 HG11 ILE 9 11.358 -1.357 0.667 68 HG21 ILE 9 HG21 ILE 9 9.325 0.067 0.524 69 HG22 ILE 9 HG22 ILE 9 8.441 -0.663 1.866 70 HG23 ILE 9 HG23 ILE 9 7.749 -0.671 0.242 71 HD11 ILE 9 HD11 ILE 9 10.198 -2.677 3.111 72 HD12 ILE 9 HD12 ILE 9 10.381 -0.941 2.864 73 HD13 ILE 9 HD13 ILE 9 11.808 -1.972 2.972 74 H LEU 10 HN LEU 10 6.677 -3.119 -0.678 75 HA LEU 10 HA LEU 10 4.549 -2.543 1.251 76 HB2 LEU 10 HB1 LEU 10 5.678 -0.623 -0.466 77 HB3 LEU 10 HB2 LEU 10 4.136 -1.043 -1.167 78 HG LEU 10 HG LEU 10 4.076 0.932 0.365 79 HD11 LEU 10 HD11 LEU 10 2.068 -0.370 -0.154 80 HD12 LEU 10 HD12 LEU 10 2.026 0.275 1.487 81 HD13 LEU 10 HD13 LEU 10 2.405 -1.427 1.217 82 HD21 LEU 10 HD21 LEU 10 5.685 0.136 2.018 83 HD22 LEU 10 HD22 LEU 10 4.568 -1.145 2.490 84 HD23 LEU 10 HD23 LEU 10 4.139 0.544 2.766 85 H GLY 11 HN GLY 11 2.386 -2.743 0.293 86 HA2 GLY 11 HA2 GLY 11 2.137 -4.111 -2.218 87 HA3 GLY 11 HA1 GLY 11 1.829 -5.144 -0.826 88 H ARG 12 HN ARG 12 1.093 -1.831 -0.482 89 HA ARG 12 HA ARG 12 -0.840 -0.706 -0.117 90 HB2 ARG 12 HB1 ARG 12 -1.890 -2.449 -2.354 91 HB3 ARG 12 HB2 ARG 12 -2.572 -0.921 -1.819 92 HG2 ARG 12 HG1 ARG 12 0.159 -1.275 -3.038 93 HG3 ARG 12 HG2 ARG 12 -1.277 -0.694 -3.884 94 HD2 ARG 12 HD1 ARG 12 -1.406 1.213 -2.359 95 HD3 ARG 12 HD2 ARG 12 0.026 0.632 -1.509 96 HE ARG 12 HE ARG 12 0.502 1.002 -4.300 97 HH11 ARG 12 HH11 ARG 12 1.307 3.963 -1.728 98 HH12 ARG 12 HH12 ARG 12 0.274 2.659 -1.243 99 HH21 ARG 12 HH21 ARG 12 2.209 3.995 -3.831 100 HH22 ARG 12 HH22 ARG 12 1.861 2.715 -4.945 101 H VAL 13 HN VAL 13 -0.385 -3.377 1.204 102 HA VAL 13 HA VAL 13 -3.013 -4.490 1.582 103 HB VAL 13 HB VAL 13 -1.952 -5.920 3.279 104 HG11 VAL 13 HG11 VAL 13 -0.386 -5.705 0.710 105 HG12 VAL 13 HG12 VAL 13 -1.889 -6.599 0.943 106 HG13 VAL 13 HG13 VAL 13 -0.421 -7.109 1.778 107 HG21 VAL 13 HG21 VAL 13 0.538 -4.326 2.671 108 HG22 VAL 13 HG22 VAL 13 0.466 -5.783 3.664 109 HG23 VAL 13 HG23 VAL 13 -0.361 -4.316 4.189 110 H ASN 14 HN ASN 14 -1.470 -1.776 2.751 111 HA ASN 14 HA ASN 14 -2.757 -1.850 5.371 112 HB2 ASN 14 HB2 ASN 14 -0.902 0.198 4.143 113 HB3 ASN 14 HB1 ASN 14 -1.522 0.251 5.790 114 HD21 ASN 14 HD21 ASN 14 1.546 -2.202 4.779 115 HD22 ASN 14 HD22 ASN 14 0.636 -1.343 3.587 116 H LYS 15 HN LYS 15 -3.711 -1.132 2.352 117 HA LYS 15 HA LYS 15 -5.397 1.129 3.200 118 HB2 LYS 15 HB2 LYS 15 -4.602 0.282 0.408 119 HB3 LYS 15 HB1 LYS 15 -5.657 1.634 0.797 120 HG2 LYS 15 HG1 LYS 15 -3.817 2.728 1.981 121 HG3 LYS 15 HG2 LYS 15 -2.759 1.375 1.574 122 HD2 LYS 15 HD1 LYS 15 -3.080 1.844 -0.809 123 HD3 LYS 15 HD2 LYS 15 -4.131 3.202 -0.399 124 HE2 LYS 15 HE1 LYS 15 -2.270 4.286 0.765 125 HE3 LYS 15 HE2 LYS 15 -1.222 2.931 0.349 126 HZ1 LYS 15 HZ1 LYS 15 -0.903 4.778 -1.164 127 HZ2 LYS 15 HZ2 LYS 15 -2.540 4.757 -1.586 128 HZ3 LYS 15 HZ3 LYS 15 -1.547 3.450 -1.992 129 H HIS 16 HN HIS 16 -7.601 1.055 2.880 130 HA HIS 16 HA HIS 16 -8.682 -1.606 2.235 131 HB2 HIS 16 HB2 HIS 16 -10.640 -0.963 3.585 132 HB3 HIS 16 HB1 HIS 16 -9.151 -0.884 4.521 133 HD1 HIS 16 HD1 HIS 16 -11.969 1.174 3.315 134 HD2 HIS 16 HD2 HIS 16 -8.277 1.769 5.129 135 HE1 HIS 16 HE1 HIS 16 -12.009 3.542 4.161 136 HE2 HIS 16 HE2 HIS 16 -9.765 3.881 5.256 137 H SER 17 HN SER 17 -8.388 1.510 1.052 138 HA SER 17 HA SER 17 -10.927 1.530 -0.368 139 HB2 SER 17 HB1 SER 17 -10.056 3.644 0.543 140 HB3 SER 17 HB2 SER 17 -8.614 3.484 -0.459 141 HG SER 17 HG SER 17 -11.017 3.320 -1.809 142 H THR 18 HN THR 18 -8.284 -0.195 -0.793 143 HA THR 18 HA THR 18 -7.381 0.283 -3.397 144 HB THR 18 HB THR 18 -7.586 -2.416 -2.044 145 HG1 THR 18 HG1 THR 18 -5.206 -0.972 -2.008 146 HG21 THR 18 HG21 THR 18 -5.736 -1.387 -4.200 147 HG22 THR 18 HG22 THR 18 -7.039 -2.555 -4.419 148 HG23 THR 18 HG23 THR 18 -5.636 -2.972 -3.435 149 H SER 19 HN SER 19 -10.347 -0.986 -2.257 150 HA SER 19 HA SER 19 -11.143 -2.674 -4.317 151 HB2 SER 19 HB2 SER 19 -12.801 -0.791 -2.624 152 HB3 SER 19 HB1 SER 19 -13.471 -2.063 -3.647 153 HG SER 19 HG SER 19 -11.498 -2.713 -1.764 154 H ILE 20 HN ILE 20 -11.215 -2.277 -6.421 155 HA ILE 20 HA ILE 20 -12.610 0.042 -7.427 156 HB ILE 20 HB ILE 20 -10.364 0.963 -7.145 157 HG12 ILE 20 HG11 ILE 20 -10.966 0.423 -10.062 158 HG13 ILE 20 HG12 ILE 20 -11.772 1.645 -9.083 159 HG21 ILE 20 HG21 ILE 20 -9.468 -1.264 -8.971 160 HG22 ILE 20 HG22 ILE 20 -9.101 -1.119 -7.252 161 HG23 ILE 20 HG23 ILE 20 -8.463 0.065 -8.393 162 HD11 ILE 20 HD11 ILE 20 -9.640 2.791 -8.766 163 HD12 ILE 20 HD12 ILE 20 -10.055 2.635 -10.474 164 HD13 ILE 20 HD13 ILE 20 -8.842 1.572 -9.761 165 H GLY 21 HN GLY 21 -13.429 -0.266 -9.471 166 HA2 GLY 21 HA2 GLY 21 -13.139 -1.409 -11.659 167 HA3 GLY 21 HA1 GLY 21 -12.780 -2.859 -10.735 168 H LYS 22 HN LYS 22 -14.836 -2.448 -8.754 169 HA LYS 22 HA LYS 22 -17.218 -2.939 -10.415 170 HB2 LYS 22 HB2 LYS 22 -17.962 -4.402 -8.462 171 HB3 LYS 22 HB1 LYS 22 -16.663 -5.022 -9.471 172 HG2 LYS 22 HG2 LYS 22 -15.024 -4.306 -7.807 173 HG3 LYS 22 HG1 LYS 22 -16.328 -3.685 -6.793 174 HD2 LYS 22 HD1 LYS 22 -15.679 -5.848 -5.974 175 HD3 LYS 22 HD2 LYS 22 -17.281 -5.975 -6.703 176 HE2 LYS 22 HE1 LYS 22 -16.282 -6.874 -8.746 177 HE3 LYS 22 HE2 LYS 22 -14.679 -6.740 -8.023 178 HZ1 LYS 22 HZ1 LYS 22 -16.892 -8.448 -7.020 179 HZ2 LYS 22 HZ2 LYS 22 -15.358 -8.318 -6.320 180 HZ3 LYS 22 HZ3 LYS 22 -15.528 -8.990 -7.863 Start of MODEL 8 1 H1 ACE 0 HA1 ACE 0 10.347 0.639 -10.065 2 H2 ACE 0 HA2 ACE 0 9.278 -0.402 -9.130 3 H3 ACE 0 HA3 ACE 0 10.756 -1.083 -9.805 4 H MET 1 HN MET 1 10.738 2.115 -8.471 5 HA MET 1 HA MET 1 12.547 1.196 -6.365 6 HB2 MET 1 HB2 MET 1 11.931 3.990 -7.342 7 HB3 MET 1 HB1 MET 1 13.125 3.583 -6.119 8 HG2 MET 1 HG1 MET 1 14.374 2.288 -7.773 9 HG3 MET 1 HG2 MET 1 13.181 2.712 -8.999 10 HE1 MET 1 HE1 MET 1 16.316 3.196 -9.358 11 HE2 MET 1 HE2 MET 1 16.313 4.807 -10.075 12 HE3 MET 1 HE3 MET 1 15.114 3.615 -10.578 13 H ASP 2 HN ASP 2 11.977 1.115 -4.293 14 HA ASP 2 HA ASP 2 9.864 2.827 -3.263 15 HB2 ASP 2 HB2 ASP 2 8.660 0.875 -2.248 16 HB3 ASP 2 HB1 ASP 2 8.541 0.961 -4.003 17 H TRP 3 HN TRP 3 12.796 2.121 -2.965 18 HA TRP 3 HA TRP 3 12.985 2.542 -0.157 19 HB2 TRP 3 HB2 TRP 3 12.645 0.204 0.131 20 HB3 TRP 3 HB1 TRP 3 13.654 -0.186 -1.259 21 HD1 TRP 3 HD1 TRP 3 15.729 -1.437 -0.295 22 HE1 TRP 3 HE1 TRP 3 17.390 -1.008 1.628 23 HE3 TRP 3 HE3 TRP 3 13.562 2.660 1.655 24 HZ2 TRP 3 HZ2 TRP 3 17.719 0.879 3.727 25 HZ3 TRP 3 HZ3 TRP 3 14.572 3.767 3.630 26 HH2 TRP 3 HH2 TRP 3 16.619 2.884 4.639 27 H GLY 4 HN GLY 4 14.539 1.374 -3.052 28 HA2 GLY 4 HA1 GLY 4 16.334 3.148 -3.728 29 HA3 GLY 4 HA2 GLY 4 17.078 2.545 -2.241 30 H THR 5 HN THR 5 15.604 -0.033 -2.967 31 HA THR 5 HA THR 5 16.445 -1.232 -5.282 32 HB THR 5 HB THR 5 18.765 -0.800 -4.614 33 HG1 THR 5 HG1 THR 5 18.197 -2.830 -5.656 34 HG21 THR 5 HG21 THR 5 18.451 -0.686 -2.195 35 HG22 THR 5 HG22 THR 5 19.711 -1.850 -2.606 36 HG23 THR 5 HG23 THR 5 18.103 -2.415 -2.148 37 H LEU 6 HN LEU 6 14.349 -1.222 -3.374 38 HA LEU 6 HA LEU 6 14.281 -4.057 -2.551 39 HB2 LEU 6 HB1 LEU 6 14.480 -2.196 -0.754 40 HB3 LEU 6 HB2 LEU 6 12.798 -1.877 -1.117 41 HG LEU 6 HG LEU 6 13.147 -4.681 -0.605 42 HD11 LEU 6 HD21 LEU 6 15.121 -4.078 0.657 43 HD12 LEU 6 HD22 LEU 6 13.817 -4.495 1.769 44 HD13 LEU 6 HD23 LEU 6 14.234 -2.802 1.493 45 HD21 LEU 6 HD11 LEU 6 11.050 -3.506 -0.392 46 HD22 LEU 6 HD12 LEU 6 11.735 -2.437 0.834 47 HD23 LEU 6 HD13 LEU 6 11.514 -4.153 1.182 48 H GLN 7 HN GLN 7 11.766 -4.398 -1.835 49 HA GLN 7 HA GLN 7 9.990 -3.154 -3.742 50 HB2 GLN 7 HB2 GLN 7 10.706 -6.065 -3.801 51 HB3 GLN 7 HB1 GLN 7 9.110 -5.539 -4.318 52 HG2 GLN 7 HG2 GLN 7 11.601 -4.332 -5.462 53 HG3 GLN 7 HG1 GLN 7 10.928 -5.835 -6.090 54 HE21 GLN 7 HE21 GLN 7 8.252 -2.785 -6.358 55 HE22 GLN 7 HE22 GLN 7 8.923 -3.255 -4.841 56 H THR 8 HN THR 8 10.286 -5.645 -1.212 57 HA THR 8 HA THR 8 7.553 -5.534 -0.490 58 HB THR 8 HB THR 8 8.710 -7.475 0.233 59 HG1 THR 8 HG1 THR 8 7.379 -6.039 1.900 60 HG21 THR 8 HG21 THR 8 10.981 -6.535 0.214 61 HG22 THR 8 HG22 THR 8 10.663 -7.437 1.694 62 HG23 THR 8 HG23 THR 8 10.631 -5.674 1.713 63 H ILE 9 HN ILE 9 6.990 -3.437 -0.376 64 HA ILE 9 HA ILE 9 7.579 -2.098 2.116 65 HB ILE 9 HB ILE 9 8.606 -1.312 -0.506 66 HG12 ILE 9 HG12 ILE 9 10.011 -1.891 1.433 67 HG13 ILE 9 HG11 ILE 9 10.355 -0.277 0.821 68 HG21 ILE 9 HG21 ILE 9 7.310 0.749 1.273 69 HG22 ILE 9 HG22 ILE 9 6.931 0.384 -0.412 70 HG23 ILE 9 HG23 ILE 9 8.473 1.132 0.003 71 HD11 ILE 9 HD11 ILE 9 10.348 -0.342 3.255 72 HD12 ILE 9 HD12 ILE 9 8.681 -0.917 3.240 73 HD13 ILE 9 HD13 ILE 9 9.063 0.696 2.638 74 H LEU 10 HN LEU 10 5.886 -2.159 -0.940 75 HA LEU 10 HA LEU 10 3.486 -1.133 0.384 76 HB2 LEU 10 HB1 LEU 10 5.031 0.357 -1.436 77 HB3 LEU 10 HB2 LEU 10 3.627 -0.176 -2.332 78 HG LEU 10 HG LEU 10 3.361 2.069 -1.297 79 HD11 LEU 10 HD11 LEU 10 1.135 1.667 -0.380 80 HD12 LEU 10 HD12 LEU 10 1.494 -0.055 -0.253 81 HD13 LEU 10 HD13 LEU 10 1.409 0.714 -1.838 82 HD21 LEU 10 HD21 LEU 10 4.659 1.637 0.740 83 HD22 LEU 10 HD22 LEU 10 3.397 0.540 1.298 84 HD23 LEU 10 HD23 LEU 10 3.048 2.257 1.098 85 H GLY 11 HN GLY 11 2.060 -0.999 -2.134 86 HA2 GLY 11 HA2 GLY 11 1.771 -2.715 -3.947 87 HA3 GLY 11 HA1 GLY 11 1.805 -3.891 -2.643 88 H ARG 12 HN ARG 12 0.348 -1.022 -1.720 89 HA ARG 12 HA ARG 12 -1.771 -0.471 -1.126 90 HB2 ARG 12 HB1 ARG 12 -2.412 -1.854 -3.738 91 HB3 ARG 12 HB2 ARG 12 -3.514 -0.809 -2.852 92 HG2 ARG 12 HG1 ARG 12 -1.974 1.067 -3.150 93 HG3 ARG 12 HG2 ARG 12 -0.878 0.017 -4.051 94 HD2 ARG 12 HD2 ARG 12 -3.711 0.702 -4.826 95 HD3 ARG 12 HD1 ARG 12 -2.251 1.372 -5.551 96 HE ARG 12 HE ARG 12 -2.180 -1.436 -5.723 97 HH11 ARG 12 HH11 ARG 12 -4.185 0.532 -8.577 98 HH12 ARG 12 HH12 ARG 12 -3.852 1.311 -7.066 99 HH21 ARG 12 HH21 ARG 12 -3.480 -1.616 -8.942 100 HH22 ARG 12 HH22 ARG 12 -2.613 -2.468 -7.709 101 H VAL 13 HN VAL 13 -0.666 -3.184 -0.419 102 HA VAL 13 HA VAL 13 -3.191 -4.636 -0.012 103 HB VAL 13 HB VAL 13 -1.481 -5.961 -1.120 104 HG11 VAL 13 HG21 VAL 13 0.626 -6.520 0.002 105 HG12 VAL 13 HG22 VAL 13 0.221 -5.408 1.308 106 HG13 VAL 13 HG23 VAL 13 0.496 -4.791 -0.321 107 HG21 VAL 13 HG11 VAL 13 -1.879 -6.823 1.743 108 HG22 VAL 13 HG12 VAL 13 -1.405 -7.871 0.406 109 HG23 VAL 13 HG13 VAL 13 -2.995 -7.108 0.407 110 H ASN 14 HN ASN 14 -0.417 -3.249 1.637 111 HA ASN 14 HA ASN 14 -1.593 -3.969 4.230 112 HB2 ASN 14 HB2 ASN 14 1.178 -2.953 3.570 113 HB3 ASN 14 HB1 ASN 14 0.607 -3.375 5.181 114 HD21 ASN 14 HD21 ASN 14 -0.947 -5.646 4.212 115 HD22 ASN 14 HD22 ASN 14 0.199 -6.887 3.849 116 H LYS 15 HN LYS 15 -2.891 -2.476 5.057 117 HA LYS 15 HA LYS 15 -1.983 0.222 5.413 118 HB2 LYS 15 HB1 LYS 15 -2.851 0.367 3.123 119 HB3 LYS 15 HB2 LYS 15 -4.396 -0.277 3.662 120 HG2 LYS 15 HG1 LYS 15 -4.719 1.690 5.080 121 HG3 LYS 15 HG2 LYS 15 -3.173 2.337 4.525 122 HD2 LYS 15 HD1 LYS 15 -5.508 1.699 2.723 123 HD3 LYS 15 HD2 LYS 15 -5.138 3.306 3.352 124 HE2 LYS 15 HE2 LYS 15 -2.952 3.228 2.243 125 HE3 LYS 15 HE1 LYS 15 -3.341 1.633 1.600 126 HZ1 LYS 15 HZ1 LYS 15 -4.819 4.140 1.006 127 HZ2 LYS 15 HZ2 LYS 15 -5.188 2.609 0.389 128 HZ3 LYS 15 HZ3 LYS 15 -3.735 3.362 -0.035 129 H HIS 16 HN HIS 16 -2.570 0.711 7.411 130 HA HIS 16 HA HIS 16 -4.994 -0.528 8.520 131 HB2 HIS 16 HB1 HIS 16 -2.903 -1.035 9.714 132 HB3 HIS 16 HB2 HIS 16 -2.624 0.687 9.956 133 HD1 HIS 16 HD1 HIS 16 -3.709 1.760 11.950 134 HD2 HIS 16 HD2 HIS 16 -5.155 -2.064 11.203 135 HE1 HIS 16 HE1 HIS 16 -5.150 1.187 13.930 136 HE2 HIS 16 HE2 HIS 16 -6.016 -1.131 13.457 137 H SER 17 HN SER 17 -6.628 0.681 9.326 138 HA SER 17 HA SER 17 -8.021 2.475 9.488 139 HB2 SER 17 HB2 SER 17 -7.188 4.328 10.844 140 HB3 SER 17 HB1 SER 17 -6.610 2.796 11.497 141 HG SER 17 HG SER 17 -4.603 3.212 10.723 142 H THR 18 HN THR 18 -7.556 5.236 9.284 143 HA THR 18 HA THR 18 -7.515 6.914 7.746 144 HB THR 18 HB THR 18 -5.488 5.340 6.165 145 HG1 THR 18 HG1 THR 18 -5.092 6.821 8.569 146 HG21 THR 18 HG21 THR 18 -5.881 8.291 6.682 147 HG22 THR 18 HG22 THR 18 -6.229 7.437 5.178 148 HG23 THR 18 HG23 THR 18 -4.565 7.591 5.740 149 H SER 19 HN SER 19 -8.935 4.167 7.297 150 HA SER 19 HA SER 19 -9.397 4.260 4.430 151 HB2 SER 19 HB2 SER 19 -10.426 2.432 6.608 152 HB3 SER 19 HB1 SER 19 -10.894 2.290 4.913 153 HG SER 19 HG SER 19 -8.284 2.411 4.922 154 H ILE 20 HN ILE 20 -10.281 6.377 6.418 155 HA ILE 20 HA ILE 20 -13.115 6.428 5.609 156 HB ILE 20 HB ILE 20 -13.611 7.707 7.664 157 HG12 ILE 20 HG12 ILE 20 -10.810 6.927 8.505 158 HG13 ILE 20 HG11 ILE 20 -11.295 8.551 8.029 159 HG21 ILE 20 HG21 ILE 20 -12.371 5.000 8.144 160 HG22 ILE 20 HG22 ILE 20 -14.014 5.305 7.582 161 HG23 ILE 20 HG23 ILE 20 -13.529 5.805 9.202 162 HD11 ILE 20 HD11 ILE 20 -11.189 8.342 10.439 163 HD12 ILE 20 HD12 ILE 20 -12.350 7.014 10.391 164 HD13 ILE 20 HD13 ILE 20 -12.844 8.639 9.912 165 H GLY 21 HN GLY 21 -13.999 8.468 5.093 166 HA2 GLY 21 HA1 GLY 21 -13.689 10.901 4.995 167 HA3 GLY 21 HA2 GLY 21 -11.994 10.594 4.655 168 H LYS 22 HN LYS 22 -12.223 8.584 2.749 169 HA LYS 22 HA LYS 22 -12.395 8.313 0.499 170 HB2 LYS 22 HB1 LYS 22 -15.029 9.739 0.914 171 HB3 LYS 22 HB2 LYS 22 -14.576 8.842 -0.529 172 HG2 LYS 22 HG1 LYS 22 -14.440 6.789 0.782 173 HG3 LYS 22 HG2 LYS 22 -14.882 7.686 2.236 174 HD2 LYS 22 HD2 LYS 22 -17.027 8.280 1.218 175 HD3 LYS 22 HD1 LYS 22 -16.586 7.384 -0.238 176 HE2 LYS 22 HE1 LYS 22 -16.907 6.223 2.528 177 HE3 LYS 22 HE2 LYS 22 -18.062 6.075 1.203 178 HZ1 LYS 22 HZ1 LYS 22 -16.400 4.873 -0.068 179 HZ2 LYS 22 HZ2 LYS 22 -16.692 4.100 1.407 180 HZ3 LYS 22 HZ3 LYS 22 -15.287 5.019 1.199 Start of MODEL 9 1 H1 ACE 0 HA1 ACE 0 6.206 -0.704 -8.748 2 H2 ACE 0 HA2 ACE 0 6.046 -1.457 -7.162 3 H3 ACE 0 HA3 ACE 0 7.599 -1.535 -7.991 4 H MET 1 HN MET 1 9.028 0.060 -7.742 5 HA MET 1 HA MET 1 10.038 1.895 -6.865 6 HB2 MET 1 HB1 MET 1 8.562 3.086 -8.415 7 HB3 MET 1 HB2 MET 1 7.288 3.105 -7.203 8 HG2 MET 1 HG1 MET 1 8.398 5.253 -7.332 9 HG3 MET 1 HG2 MET 1 8.666 4.502 -5.761 10 HE1 MET 1 HE1 MET 1 10.647 6.217 -5.277 11 HE2 MET 1 HE2 MET 1 10.366 6.968 -6.848 12 HE3 MET 1 HE3 MET 1 11.997 6.481 -6.381 13 H ASP 2 HN ASP 2 10.576 1.242 -4.834 14 HA ASP 2 HA ASP 2 9.228 2.488 -2.651 15 HB2 ASP 2 HB2 ASP 2 8.651 0.439 -1.410 16 HB3 ASP 2 HB1 ASP 2 7.732 0.569 -2.907 17 H TRP 3 HN TRP 3 10.351 2.129 -0.595 18 HA TRP 3 HA TRP 3 12.225 1.986 0.691 19 HB2 TRP 3 HB2 TRP 3 12.413 -0.339 0.400 20 HB3 TRP 3 HB1 TRP 3 12.812 -0.186 -1.309 21 HD1 TRP 3 HD1 TRP 3 15.283 -0.823 -1.709 22 HE1 TRP 3 HE1 TRP 3 17.497 -0.538 -0.424 23 HE3 TRP 3 HE3 TRP 3 13.493 1.547 2.368 24 HZ2 TRP 3 HZ2 TRP 3 18.360 0.575 2.037 25 HZ3 TRP 3 HZ3 TRP 3 15.045 2.213 4.176 26 HH2 TRP 3 HH2 TRP 3 17.437 1.733 4.004 27 H GLY 4 HN GLY 4 13.654 1.300 -2.421 28 HA2 GLY 4 HA1 GLY 4 14.616 3.758 -3.184 29 HA3 GLY 4 HA2 GLY 4 15.800 3.105 -2.046 30 H THR 5 HN THR 5 14.933 0.376 -2.870 31 HA THR 5 HA THR 5 15.419 -0.091 -5.600 32 HB THR 5 HB THR 5 17.715 0.596 -5.065 33 HG1 THR 5 HG1 THR 5 17.409 -1.128 -6.564 34 HG21 THR 5 HG21 THR 5 17.725 0.069 -2.680 35 HG22 THR 5 HG22 THR 5 19.078 -0.712 -3.499 36 HG23 THR 5 HG23 THR 5 17.656 -1.654 -3.051 37 H LEU 6 HN LEU 6 13.804 -0.847 -3.220 38 HA LEU 6 HA LEU 6 14.243 -3.767 -3.186 39 HB2 LEU 6 HB1 LEU 6 14.285 -2.278 -1.027 40 HB3 LEU 6 HB2 LEU 6 12.542 -2.309 -1.192 41 HG LEU 6 HG LEU 6 13.392 -4.989 -1.381 42 HD11 LEU 6 HD21 LEU 6 14.619 -5.267 0.735 43 HD12 LEU 6 HD22 LEU 6 14.753 -3.513 0.871 44 HD13 LEU 6 HD23 LEU 6 15.545 -4.358 -0.460 45 HD21 LEU 6 HD11 LEU 6 12.153 -3.417 0.874 46 HD22 LEU 6 HD12 LEU 6 12.204 -5.178 0.779 47 HD23 LEU 6 HD13 LEU 6 11.301 -4.257 -0.424 48 H GLN 7 HN GLN 7 11.796 -4.545 -2.196 49 HA GLN 7 HA GLN 7 9.765 -3.414 -3.917 50 HB2 GLN 7 HB2 GLN 7 10.278 -5.059 -5.427 51 HB3 GLN 7 HB1 GLN 7 10.963 -6.114 -4.202 52 HG2 GLN 7 HG1 GLN 7 9.041 -7.190 -5.032 53 HG3 GLN 7 HG2 GLN 7 8.637 -6.577 -3.429 54 HE21 GLN 7 HE21 GLN 7 7.117 -4.968 -3.218 55 HE22 GLN 7 HE22 GLN 7 6.116 -4.440 -4.521 56 H THR 8 HN THR 8 10.276 -6.213 -1.736 57 HA THR 8 HA THR 8 7.663 -6.138 -0.703 58 HB THR 8 HB THR 8 8.841 -8.166 -0.358 59 HG1 THR 8 HG1 THR 8 7.706 -6.966 1.600 60 HG21 THR 8 HG21 THR 8 10.928 -8.326 0.916 61 HG22 THR 8 HG22 THR 8 10.946 -6.574 1.110 62 HG23 THR 8 HG23 THR 8 11.119 -7.285 -0.494 63 H ILE 9 HN ILE 9 7.115 -4.103 -0.217 64 HA ILE 9 HA ILE 9 7.957 -3.112 2.353 65 HB ILE 9 HB ILE 9 8.789 -1.964 -0.213 66 HG12 ILE 9 HG12 ILE 9 10.364 -2.884 1.426 67 HG13 ILE 9 HG11 ILE 9 10.690 -1.185 1.097 68 HG21 ILE 9 HG21 ILE 9 7.779 -0.185 2.001 69 HG22 ILE 9 HG22 ILE 9 7.205 -0.262 0.334 70 HG23 ILE 9 HG23 ILE 9 8.816 0.362 0.683 71 HD11 ILE 9 HD11 ILE 9 10.926 -1.686 3.458 72 HD12 ILE 9 HD12 ILE 9 9.265 -2.276 3.514 73 HD13 ILE 9 HD13 ILE 9 9.584 -0.573 3.186 74 H LEU 10 HN LEU 10 6.056 -2.713 -0.545 75 HA LEU 10 HA LEU 10 3.839 -1.687 1.074 76 HB2 LEU 10 HB1 LEU 10 5.252 -0.215 -0.813 77 HB3 LEU 10 HB2 LEU 10 3.784 -0.695 -1.640 78 HG LEU 10 HG LEU 10 3.566 1.511 -0.586 79 HD11 LEU 10 HD11 LEU 10 1.464 1.103 0.585 80 HD12 LEU 10 HD12 LEU 10 1.858 -0.612 0.703 81 HD13 LEU 10 HD13 LEU 10 1.582 0.123 -0.877 82 HD21 LEU 10 HD21 LEU 10 3.497 1.698 1.852 83 HD22 LEU 10 HD22 LEU 10 5.086 1.183 1.283 84 HD23 LEU 10 HD23 LEU 10 3.979 0.008 1.993 85 H GLY 11 HN GLY 11 4.116 -2.276 -2.349 86 HA2 GLY 11 HA2 GLY 11 3.015 -3.701 -3.768 87 HA3 GLY 11 HA1 GLY 11 2.882 -4.809 -2.409 88 H ARG 12 HN ARG 12 1.602 -1.649 -2.022 89 HA ARG 12 HA ARG 12 -0.500 -0.855 -1.704 90 HB2 ARG 12 HB1 ARG 12 -1.213 -2.862 -3.852 91 HB3 ARG 12 HB2 ARG 12 -2.210 -1.507 -3.339 92 HG2 ARG 12 HG2 ARG 12 -0.520 0.056 -4.133 93 HG3 ARG 12 HG1 ARG 12 0.507 -1.294 -4.622 94 HD2 ARG 12 HD1 ARG 12 -1.249 -2.043 -6.172 95 HD3 ARG 12 HD2 ARG 12 -2.232 -0.656 -5.708 96 HE ARG 12 HE ARG 12 0.196 0.358 -6.550 97 HH11 ARG 12 HH11 ARG 12 -2.406 -1.515 -7.914 98 HH12 ARG 12 HH12 ARG 12 -2.164 -0.920 -9.523 99 HH21 ARG 12 HH21 ARG 12 0.523 1.146 -8.665 100 HH22 ARG 12 HH22 ARG 12 -0.498 0.593 -9.950 101 H VAL 13 HN VAL 13 0.456 -3.353 -0.295 102 HA VAL 13 HA VAL 13 -2.053 -4.716 0.288 103 HB VAL 13 HB VAL 13 0.692 -5.222 1.442 104 HG11 VAL 13 HG11 VAL 13 -1.097 -6.051 2.863 105 HG12 VAL 13 HG12 VAL 13 -0.249 -7.395 2.098 106 HG13 VAL 13 HG13 VAL 13 -1.825 -6.885 1.491 107 HG21 VAL 13 HG21 VAL 13 0.701 -5.575 -0.960 108 HG22 VAL 13 HG22 VAL 13 -0.735 -6.592 -0.835 109 HG23 VAL 13 HG23 VAL 13 0.787 -7.121 -0.114 110 H ASN 14 HN ASN 14 -3.289 -3.291 1.449 111 HA ASN 14 HA ASN 14 -4.053 -2.103 3.230 112 HB2 ASN 14 HB1 ASN 14 -2.011 -3.769 4.718 113 HB3 ASN 14 HB2 ASN 14 -3.321 -2.857 5.463 114 HD21 ASN 14 HD21 ASN 14 -5.438 -3.576 5.239 115 HD22 ASN 14 HD22 ASN 14 -5.810 -5.186 4.735 116 H LYS 15 HN LYS 15 -2.952 -1.009 5.451 117 HA LYS 15 HA LYS 15 -1.824 0.819 6.186 118 HB2 LYS 15 HB1 LYS 15 0.108 -0.687 5.991 119 HB3 LYS 15 HB2 LYS 15 0.325 -0.197 4.317 120 HG2 LYS 15 HG1 LYS 15 0.799 2.084 5.037 121 HG3 LYS 15 HG2 LYS 15 0.563 1.604 6.720 122 HD2 LYS 15 HD2 LYS 15 2.430 0.031 6.531 123 HD3 LYS 15 HD1 LYS 15 2.665 0.511 4.850 124 HE2 LYS 15 HE1 LYS 15 2.915 2.314 7.254 125 HE3 LYS 15 HE2 LYS 15 4.253 1.630 6.334 126 HZ1 LYS 15 HZ1 LYS 15 2.206 3.503 5.274 127 HZ2 LYS 15 HZ2 LYS 15 3.490 2.845 4.389 128 HZ3 LYS 15 HZ3 LYS 15 3.802 3.904 5.671 129 H HIS 16 HN HIS 16 -3.117 2.430 5.388 130 HA HIS 16 HA HIS 16 -3.730 4.240 4.157 131 HB2 HIS 16 HB2 HIS 16 -0.850 4.104 3.241 132 HB3 HIS 16 HB1 HIS 16 -1.921 5.484 3.024 133 HD1 HIS 16 HD1 HIS 16 0.354 3.914 5.439 134 HD2 HIS 16 HD2 HIS 16 -2.629 6.807 5.488 135 HE1 HIS 16 HE1 HIS 16 0.644 5.141 7.616 136 HE2 HIS 16 HE2 HIS 16 -1.172 6.889 7.623 137 H SER 17 HN SER 17 -3.328 5.188 1.708 138 HA SER 17 HA SER 17 -3.338 3.084 -0.271 139 HB2 SER 17 HB1 SER 17 -5.848 4.696 0.257 140 HB3 SER 17 HB2 SER 17 -5.607 3.606 -1.108 141 HG SER 17 HG SER 17 -6.307 3.038 1.451 142 H THR 18 HN THR 18 -2.309 5.932 0.607 143 HA THR 18 HA THR 18 -2.915 7.748 -1.432 144 HB THR 18 HB THR 18 -0.282 7.527 0.042 145 HG1 THR 18 HG1 THR 18 -2.791 8.625 0.767 146 HG21 THR 18 HG21 THR 18 -1.656 9.872 -1.279 147 HG22 THR 18 HG22 THR 18 -0.203 9.057 -1.856 148 HG23 THR 18 HG23 THR 18 -0.165 9.956 -0.340 149 H SER 19 HN SER 19 -1.022 4.898 -1.474 150 HA SER 19 HA SER 19 0.881 5.401 -3.422 151 HB2 SER 19 HB1 SER 19 0.859 3.314 -2.185 152 HB3 SER 19 HB2 SER 19 -0.691 2.866 -2.898 153 HG SER 19 HG SER 19 1.859 2.754 -3.967 154 H ILE 20 HN ILE 20 0.570 6.295 -5.347 155 HA ILE 20 HA ILE 20 -1.939 6.055 -6.747 156 HB ILE 20 HB ILE 20 -0.876 7.479 -8.464 157 HG12 ILE 20 HG12 ILE 20 1.528 7.435 -6.624 158 HG13 ILE 20 HG11 ILE 20 1.433 6.595 -8.168 159 HG21 ILE 20 HG21 ILE 20 -0.536 8.464 -5.634 160 HG22 ILE 20 HG22 ILE 20 -2.029 8.490 -6.573 161 HG23 ILE 20 HG23 ILE 20 -0.656 9.479 -7.071 162 HD11 ILE 20 HD11 ILE 20 1.176 8.736 -9.312 163 HD12 ILE 20 HD12 ILE 20 2.669 8.665 -8.377 164 HD13 ILE 20 HD13 ILE 20 1.286 9.572 -7.764 165 H GLY 21 HN GLY 21 -2.046 5.405 -9.031 166 HA2 GLY 21 HA1 GLY 21 -0.141 4.016 -10.453 167 HA3 GLY 21 HA2 GLY 21 -0.882 2.823 -9.397 168 H LYS 22 HN LYS 22 -3.041 5.278 -10.199 169 HA LYS 22 HA LYS 22 -4.522 3.473 -11.920 170 HB2 LYS 22 HB1 LYS 22 -5.177 6.162 -10.716 171 HB3 LYS 22 HB2 LYS 22 -6.254 5.327 -11.825 172 HG2 LYS 22 HG1 LYS 22 -7.031 4.849 -9.654 173 HG3 LYS 22 HG2 LYS 22 -6.223 3.387 -10.221 174 HD2 LYS 22 HD2 LYS 22 -4.232 3.977 -8.947 175 HD3 LYS 22 HD1 LYS 22 -5.005 5.469 -8.407 176 HE2 LYS 22 HE1 LYS 22 -6.736 4.159 -7.278 177 HE3 LYS 22 HE2 LYS 22 -5.962 2.669 -7.817 178 HZ1 LYS 22 HZ1 LYS 22 -4.000 3.268 -6.541 179 HZ2 LYS 22 HZ2 LYS 22 -5.363 3.200 -5.541 180 HZ3 LYS 22 HZ3 LYS 22 -4.742 4.698 -6.023 Start of MODEL 10 1 H1 ACE 0 HA1 ACE 0 8.049 -1.902 -10.804 2 H2 ACE 0 HA2 ACE 0 9.223 -0.702 -11.337 3 H3 ACE 0 HA3 ACE 0 7.890 -0.191 -10.304 4 H MET 1 HN MET 1 10.644 0.229 -9.763 5 HA MET 1 HA MET 1 11.288 -1.679 -7.651 6 HB2 MET 1 HB1 MET 1 13.419 -0.431 -7.490 7 HB3 MET 1 HB2 MET 1 13.111 -1.042 -9.110 8 HG2 MET 1 HG1 MET 1 12.348 1.175 -9.799 9 HG3 MET 1 HG2 MET 1 12.673 1.786 -8.178 10 HE1 MET 1 HE1 MET 1 14.165 3.726 -9.250 11 HE2 MET 1 HE2 MET 1 13.842 3.086 -10.861 12 HE3 MET 1 HE3 MET 1 15.500 3.423 -10.361 13 H ASP 2 HN ASP 2 11.915 -0.899 -5.513 14 HA ASP 2 HA ASP 2 10.862 1.692 -4.707 15 HB2 ASP 2 HB2 ASP 2 9.841 -0.895 -3.514 16 HB3 ASP 2 HB1 ASP 2 9.476 0.718 -2.911 17 H TRP 3 HN TRP 3 11.386 2.172 -2.407 18 HA TRP 3 HA TRP 3 12.854 2.326 -0.671 19 HB2 TRP 3 HB2 TRP 3 12.414 0.144 0.071 20 HB3 TRP 3 HB1 TRP 3 13.140 -0.588 -1.355 21 HD1 TRP 3 HD1 TRP 3 15.335 -1.790 -0.731 22 HE1 TRP 3 HE1 TRP 3 17.264 -1.371 0.927 23 HE3 TRP 3 HE3 TRP 3 13.628 2.474 1.354 24 HZ2 TRP 3 HZ2 TRP 3 17.959 0.561 2.884 25 HZ3 TRP 3 HZ3 TRP 3 14.955 3.587 3.121 26 HH2 TRP 3 HH2 TRP 3 17.084 2.641 3.866 27 H GLY 4 HN GLY 4 14.616 0.042 -2.640 28 HA2 GLY 4 HA1 GLY 4 16.373 1.723 -3.970 29 HA3 GLY 4 HA2 GLY 4 17.084 1.367 -2.392 30 H THR 5 HN THR 5 15.686 -1.192 -2.306 31 HA THR 5 HA THR 5 16.490 -2.852 -4.474 32 HB THR 5 HB THR 5 18.699 -2.558 -3.426 33 HG1 THR 5 HG1 THR 5 17.686 -4.757 -4.128 34 HG21 THR 5 HG21 THR 5 17.977 -2.043 -1.151 35 HG22 THR 5 HG22 THR 5 19.113 -3.392 -1.153 36 HG23 THR 5 HG23 THR 5 17.387 -3.693 -0.953 37 H LEU 6 HN LEU 6 14.281 -2.087 -2.591 38 HA LEU 6 HA LEU 6 13.578 -4.746 -1.520 39 HB2 LEU 6 HB1 LEU 6 13.801 -2.573 -0.046 40 HB3 LEU 6 HB2 LEU 6 12.215 -2.209 -0.695 41 HG LEU 6 HG LEU 6 12.117 -4.867 0.279 42 HD11 LEU 6 HD21 LEU 6 12.713 -4.493 2.644 43 HD12 LEU 6 HD22 LEU 6 13.407 -2.931 2.201 44 HD13 LEU 6 HD23 LEU 6 14.115 -4.422 1.575 45 HD21 LEU 6 HD11 LEU 6 10.258 -3.297 0.196 46 HD22 LEU 6 HD12 LEU 6 11.050 -2.274 1.394 47 HD23 LEU 6 HD13 LEU 6 10.495 -3.889 1.840 48 H GLN 7 HN GLN 7 10.885 -4.329 -1.138 49 HA GLN 7 HA GLN 7 9.768 -3.411 -3.642 50 HB2 GLN 7 HB2 GLN 7 9.894 -5.569 -4.396 51 HB3 GLN 7 HB1 GLN 7 9.927 -6.244 -2.774 52 HG2 GLN 7 HG1 GLN 7 7.924 -6.968 -3.774 53 HG3 GLN 7 HG2 GLN 7 7.494 -5.720 -2.605 54 HE21 GLN 7 HE21 GLN 7 6.144 -3.528 -4.947 55 HE22 GLN 7 HE22 GLN 7 6.640 -3.795 -3.316 56 H THR 8 HN THR 8 8.804 -5.220 -0.698 57 HA THR 8 HA THR 8 6.260 -4.039 -0.555 58 HB THR 8 HB THR 8 6.544 -6.025 0.712 59 HG1 THR 8 HG1 THR 8 5.576 -3.915 1.789 60 HG21 THR 8 HG21 THR 8 8.976 -5.905 1.003 61 HG22 THR 8 HG22 THR 8 8.164 -6.262 2.528 62 HG23 THR 8 HG23 THR 8 8.769 -4.635 2.210 63 H ILE 9 HN ILE 9 6.383 -1.906 -0.864 64 HA ILE 9 HA ILE 9 7.084 -0.296 1.422 65 HB ILE 9 HB ILE 9 8.664 -0.457 -1.043 66 HG12 ILE 9 HG12 ILE 9 9.534 -1.082 1.163 67 HG13 ILE 9 HG11 ILE 9 10.477 0.218 0.439 68 HG21 ILE 9 HG21 ILE 9 9.350 1.931 -0.937 69 HG22 ILE 9 HG22 ILE 9 8.005 2.225 0.167 70 HG23 ILE 9 HG23 ILE 9 7.692 1.686 -1.484 71 HD11 ILE 9 HD11 ILE 9 8.393 0.527 2.587 72 HD12 ILE 9 HD12 ILE 9 9.322 1.837 1.857 73 HD13 ILE 9 HD13 ILE 9 10.141 0.597 2.807 74 H LEU 10 HN LEU 10 6.147 -0.297 -1.967 75 HA LEU 10 HA LEU 10 3.924 1.506 -1.344 76 HB2 LEU 10 HB1 LEU 10 6.243 2.260 -2.786 77 HB3 LEU 10 HB2 LEU 10 4.931 2.153 -3.935 78 HG LEU 10 HG LEU 10 5.311 4.435 -2.925 79 HD11 LEU 10 HD11 LEU 10 3.231 3.847 -4.038 80 HD12 LEU 10 HD12 LEU 10 2.920 4.887 -2.649 81 HD13 LEU 10 HD13 LEU 10 2.608 3.155 -2.540 82 HD21 LEU 10 HD21 LEU 10 5.760 3.642 -0.626 83 HD22 LEU 10 HD22 LEU 10 4.065 3.167 -0.491 84 HD23 LEU 10 HD23 LEU 10 4.492 4.866 -0.701 85 H GLY 11 HN GLY 11 4.500 -1.399 -2.162 86 HA2 GLY 11 HA2 GLY 11 3.310 -1.657 -4.741 87 HA3 GLY 11 HA1 GLY 11 3.612 -2.968 -3.608 88 H ARG 12 HN ARG 12 1.884 -0.286 -2.405 89 HA ARG 12 HA ARG 12 -0.226 -0.020 -1.624 90 HB2 ARG 12 HB2 ARG 12 -0.712 0.138 -4.036 91 HB3 ARG 12 HB1 ARG 12 -0.953 -1.602 -4.098 92 HG2 ARG 12 HG1 ARG 12 -3.086 -0.514 -4.040 93 HG3 ARG 12 HG2 ARG 12 -2.833 -1.360 -2.511 94 HD2 ARG 12 HD1 ARG 12 -2.165 0.743 -1.457 95 HD3 ARG 12 HD2 ARG 12 -2.410 1.589 -2.983 96 HE ARG 12 HE ARG 12 -4.765 0.216 -2.208 97 HH11 ARG 12 HH11 ARG 12 -4.199 3.952 -0.881 98 HH12 ARG 12 HH12 ARG 12 -2.854 3.038 -1.478 99 HH21 ARG 12 HH21 ARG 12 -6.541 1.413 -1.426 100 HH22 ARG 12 HH22 ARG 12 -6.295 3.029 -0.851 101 H VAL 13 HN VAL 13 0.029 -1.249 0.249 102 HA VAL 13 HA VAL 13 -1.425 -3.795 0.211 103 HB VAL 13 HB VAL 13 0.921 -4.424 0.187 104 HG11 VAL 13 HG21 VAL 13 1.189 -2.722 2.662 105 HG12 VAL 13 HG22 VAL 13 1.881 -2.374 1.077 106 HG13 VAL 13 HG23 VAL 13 2.439 -3.773 1.996 107 HG21 VAL 13 HG11 VAL 13 0.999 -5.762 2.238 108 HG22 VAL 13 HG12 VAL 13 -0.599 -5.803 1.493 109 HG23 VAL 13 HG13 VAL 13 -0.313 -4.798 2.914 110 H ASN 14 HN ASN 14 -2.723 -4.142 1.947 111 HA ASN 14 HA ASN 14 -2.701 -2.083 4.055 112 HB2 ASN 14 HB1 ASN 14 -5.046 -3.606 2.904 113 HB3 ASN 14 HB2 ASN 14 -5.142 -2.510 4.277 114 HD21 ASN 14 HD21 ASN 14 -6.093 -0.107 1.947 115 HD22 ASN 14 HD22 ASN 14 -6.575 -1.149 3.238 116 H LYS 15 HN LYS 15 -4.121 -3.005 6.005 117 HA LYS 15 HA LYS 15 -4.188 -4.394 7.797 118 HB2 LYS 15 HB2 LYS 15 -3.805 -6.437 5.615 119 HB3 LYS 15 HB1 LYS 15 -3.975 -6.893 7.303 120 HG2 LYS 15 HG1 LYS 15 -6.107 -7.113 6.314 121 HG3 LYS 15 HG2 LYS 15 -6.161 -5.660 7.314 122 HD2 LYS 15 HD2 LYS 15 -5.817 -4.275 5.332 123 HD3 LYS 15 HD1 LYS 15 -5.740 -5.724 4.326 124 HE2 LYS 15 HE2 LYS 15 -8.111 -4.814 5.954 125 HE3 LYS 15 HE1 LYS 15 -7.942 -4.676 4.204 126 HZ1 LYS 15 HZ1 LYS 15 -8.013 -7.219 5.737 127 HZ2 LYS 15 HZ2 LYS 15 -7.852 -7.086 4.059 128 HZ3 LYS 15 HZ3 LYS 15 -9.282 -6.587 4.813 129 H HIS 16 HN HIS 16 -1.821 -6.304 5.985 130 HA HIS 16 HA HIS 16 0.357 -6.819 6.365 131 HB2 HIS 16 HB1 HIS 16 0.674 -4.357 6.261 132 HB3 HIS 16 HB2 HIS 16 0.424 -4.275 8.001 133 HD1 HIS 16 HD1 HIS 16 2.418 -4.678 9.465 134 HD2 HIS 16 HD2 HIS 16 3.097 -5.753 5.508 135 HE1 HIS 16 HE1 HIS 16 4.875 -5.194 9.320 136 HE2 HIS 16 HE2 HIS 16 5.265 -5.843 6.917 137 H SER 17 HN SER 17 1.780 -7.718 7.965 138 HA SER 17 HA SER 17 0.380 -8.975 10.093 139 HB2 SER 17 HB2 SER 17 3.352 -8.868 9.518 140 HB3 SER 17 HB1 SER 17 2.574 -9.965 10.658 141 HG SER 17 HG SER 17 1.281 -10.248 8.405 142 H THR 18 HN THR 18 2.247 -9.020 12.168 143 HA THR 18 HA THR 18 2.791 -7.949 14.102 144 HB THR 18 HB THR 18 2.861 -5.342 12.590 145 HG1 THR 18 HG1 THR 18 4.641 -7.542 12.463 146 HG21 THR 18 HG21 THR 18 4.736 -4.884 14.129 147 HG22 THR 18 HG22 THR 18 4.476 -6.453 14.889 148 HG23 THR 18 HG23 THR 18 3.232 -5.208 14.990 149 H SER 19 HN SER 19 -0.020 -7.859 12.769 150 HA SER 19 HA SER 19 -1.342 -5.593 13.846 151 HB2 SER 19 HB2 SER 19 -2.207 -6.984 11.955 152 HB3 SER 19 HB1 SER 19 -2.544 -8.272 13.112 153 HG SER 19 HG SER 19 -3.593 -5.659 13.392 154 H ILE 20 HN ILE 20 -3.008 -5.660 15.530 155 HA ILE 20 HA ILE 20 -2.987 -7.769 17.469 156 HB ILE 20 HB ILE 20 -0.890 -6.695 18.097 157 HG12 ILE 20 HG12 ILE 20 -1.452 -6.139 20.463 158 HG13 ILE 20 HG11 ILE 20 -3.158 -6.142 20.024 159 HG21 ILE 20 HG21 ILE 20 -0.852 -4.376 18.904 160 HG22 ILE 20 HG22 ILE 20 -2.538 -4.190 18.419 161 HG23 ILE 20 HG23 ILE 20 -1.297 -4.478 17.200 162 HD11 ILE 20 HD11 ILE 20 -2.514 -8.224 21.090 163 HD12 ILE 20 HD12 ILE 20 -1.290 -8.494 19.849 164 HD13 ILE 20 HD13 ILE 20 -3.000 -8.496 19.417 165 H GLY 21 HN GLY 21 -4.763 -7.695 18.782 166 HA2 GLY 21 HA1 GLY 21 -6.274 -5.946 19.937 167 HA3 GLY 21 HA2 GLY 21 -6.616 -5.467 18.282 168 H LYS 22 HN LYS 22 -6.061 -8.805 18.776 169 HA LYS 22 HA LYS 22 -7.392 -10.636 18.582 170 HB2 LYS 22 HB2 LYS 22 -8.131 -9.911 20.815 171 HB3 LYS 22 HB1 LYS 22 -9.368 -8.903 20.078 172 HG2 LYS 22 HG1 LYS 22 -10.442 -10.896 19.155 173 HG3 LYS 22 HG2 LYS 22 -9.203 -11.906 19.903 174 HD2 LYS 22 HD1 LYS 22 -9.893 -11.113 22.114 175 HD3 LYS 22 HD2 LYS 22 -11.134 -10.106 21.365 176 HE2 LYS 22 HE2 LYS 22 -10.970 -13.114 21.219 177 HE3 LYS 22 HE1 LYS 22 -12.074 -12.188 22.235 178 HZ1 LYS 22 HZ1 LYS 22 -13.159 -12.948 20.219 179 HZ2 LYS 22 HZ2 LYS 22 -12.014 -12.149 19.266 180 HZ3 LYS 22 HZ3 LYS 22 -13.072 -11.258 20.239 Start of MODEL 11 1 H1 ACE 0 HA1 ACE 0 6.866 -4.516 -10.111 2 H2 ACE 0 HA2 ACE 0 7.388 -5.740 -8.955 3 H3 ACE 0 HA3 ACE 0 8.277 -5.558 -10.466 4 H MET 1 HN MET 1 7.516 -2.525 -9.755 5 HA MET 1 HA MET 1 10.111 -2.044 -8.505 6 HB2 MET 1 HB2 MET 1 9.553 -0.812 -10.561 7 HB3 MET 1 HB1 MET 1 8.154 -0.111 -9.761 8 HG2 MET 1 HG1 MET 1 9.988 1.466 -9.842 9 HG3 MET 1 HG2 MET 1 9.617 1.023 -8.177 10 HE1 MET 1 HE1 MET 1 11.946 2.053 -7.395 11 HE2 MET 1 HE2 MET 1 12.310 2.489 -9.066 12 HE3 MET 1 HE3 MET 1 13.497 1.605 -8.107 13 H ASP 2 HN ASP 2 10.265 -1.690 -6.400 14 HA ASP 2 HA ASP 2 8.182 -0.194 -5.013 15 HB2 ASP 2 HB2 ASP 2 9.108 -2.923 -4.090 16 HB3 ASP 2 HB1 ASP 2 8.038 -1.849 -3.194 17 H TRP 3 HN TRP 3 8.882 0.714 -3.009 18 HA TRP 3 HA TRP 3 10.364 1.712 -1.591 19 HB2 TRP 3 HB2 TRP 3 11.254 -0.317 -0.818 20 HB3 TRP 3 HB1 TRP 3 11.974 -0.704 -2.377 21 HD1 TRP 3 HD1 TRP 3 14.534 -0.535 -2.254 22 HE1 TRP 3 HE1 TRP 3 16.241 0.956 -1.028 23 HE3 TRP 3 HE3 TRP 3 11.299 2.412 0.243 24 HZ2 TRP 3 HZ2 TRP 3 16.189 3.137 0.787 25 HZ3 TRP 3 HZ3 TRP 3 12.160 4.199 1.720 26 HH2 TRP 3 HH2 TRP 3 14.567 4.550 1.979 27 H GLY 4 HN GLY 4 12.585 0.440 -3.963 28 HA2 GLY 4 HA1 GLY 4 13.012 2.597 -5.605 29 HA3 GLY 4 HA2 GLY 4 14.037 2.859 -4.190 30 H THR 5 HN THR 5 14.115 -0.104 -3.848 31 HA THR 5 HA THR 5 15.311 -1.392 -6.034 32 HB THR 5 HB THR 5 17.164 0.178 -5.663 33 HG1 THR 5 HG1 THR 5 17.425 -2.271 -6.024 34 HG21 THR 5 HG21 THR 5 16.786 0.654 -3.294 35 HG22 THR 5 HG22 THR 5 18.445 0.124 -3.572 36 HG23 THR 5 HG23 THR 5 17.269 -0.991 -2.879 37 H LEU 6 HN LEU 6 13.453 -1.687 -3.755 38 HA LEU 6 HA LEU 6 14.631 -4.048 -2.428 39 HB2 LEU 6 HB1 LEU 6 13.881 -1.875 -1.122 40 HB3 LEU 6 HB2 LEU 6 12.287 -2.578 -1.296 41 HG LEU 6 HG LEU 6 13.941 -4.634 -0.306 42 HD11 LEU 6 HD21 LEU 6 14.386 -2.013 1.120 43 HD12 LEU 6 HD22 LEU 6 15.610 -2.988 0.304 44 HD13 LEU 6 HD23 LEU 6 14.817 -3.602 1.755 45 HD21 LEU 6 HD11 LEU 6 11.970 -2.846 1.113 46 HD22 LEU 6 HD12 LEU 6 12.509 -4.436 1.658 47 HD23 LEU 6 HD13 LEU 6 11.568 -4.283 0.175 48 H GLN 7 HN GLN 7 12.320 -5.044 -1.307 49 HA GLN 7 HA GLN 7 10.398 -5.392 -3.453 50 HB2 GLN 7 HB2 GLN 7 11.816 -7.717 -2.135 51 HB3 GLN 7 HB1 GLN 7 10.453 -7.860 -3.235 52 HG2 GLN 7 HG1 GLN 7 12.042 -8.167 -4.775 53 HG3 GLN 7 HG2 GLN 7 12.149 -6.408 -4.747 54 HE21 GLN 7 HE21 GLN 7 14.988 -6.926 -2.275 55 HE22 GLN 7 HE22 GLN 7 13.343 -6.462 -2.037 56 H THR 8 HN THR 8 11.221 -6.712 -0.235 57 HA THR 8 HA THR 8 8.431 -6.767 0.508 58 HB THR 8 HB THR 8 9.753 -8.548 1.396 59 HG1 THR 8 HG1 THR 8 8.507 -6.747 2.974 60 HG21 THR 8 HG21 THR 8 11.954 -7.478 1.288 61 HG22 THR 8 HG22 THR 8 11.666 -8.169 2.885 62 HG23 THR 8 HG23 THR 8 11.517 -6.430 2.638 63 H ILE 9 HN ILE 9 8.609 -4.326 -0.081 64 HA ILE 9 HA ILE 9 9.158 -2.774 2.333 65 HB ILE 9 HB ILE 9 10.590 -1.949 0.708 66 HG12 ILE 9 HG11 ILE 9 9.700 0.228 -0.015 67 HG13 ILE 9 HG12 ILE 9 8.074 -0.329 0.381 68 HG21 ILE 9 HG21 ILE 9 8.354 -2.281 -1.266 69 HG22 ILE 9 HG22 ILE 9 9.824 -3.246 -1.147 70 HG23 ILE 9 HG23 ILE 9 9.915 -1.555 -1.637 71 HD11 ILE 9 HD11 ILE 9 8.693 -0.491 2.730 72 HD12 ILE 9 HD12 ILE 9 8.973 1.136 2.108 73 HD13 ILE 9 HD13 ILE 9 10.331 0.034 2.339 74 H LEU 10 HN LEU 10 7.088 -2.963 -0.488 75 HA LEU 10 HA LEU 10 4.936 -2.481 -0.909 76 HB2 LEU 10 HB1 LEU 10 4.882 -2.951 2.036 77 HB3 LEU 10 HB2 LEU 10 3.430 -2.578 1.136 78 HG LEU 10 HG LEU 10 5.060 -4.802 0.083 79 HD11 LEU 10 HD21 LEU 10 4.134 -6.384 1.733 80 HD12 LEU 10 HD22 LEU 10 3.555 -5.014 2.682 81 HD13 LEU 10 HD23 LEU 10 5.286 -5.248 2.434 82 HD21 LEU 10 HD11 LEU 10 2.851 -5.790 -0.258 83 HD22 LEU 10 HD12 LEU 10 2.947 -4.166 -0.939 84 HD23 LEU 10 HD13 LEU 10 2.112 -4.432 0.592 85 H GLY 11 HN GLY 11 3.577 -0.719 -1.096 86 HA2 GLY 11 HA2 GLY 11 4.701 1.725 -0.000 87 HA3 GLY 11 HA1 GLY 11 3.502 1.628 -1.285 88 H ARG 12 HN ARG 12 3.318 -0.012 1.819 89 HA ARG 12 HA ARG 12 1.815 0.075 3.517 90 HB2 ARG 12 HB1 ARG 12 1.691 2.994 2.738 91 HB3 ARG 12 HB2 ARG 12 1.008 2.319 4.211 92 HG2 ARG 12 HG1 ARG 12 3.926 2.242 3.472 93 HG3 ARG 12 HG2 ARG 12 3.184 3.414 4.563 94 HD2 ARG 12 HD2 ARG 12 3.257 0.425 4.954 95 HD3 ARG 12 HD1 ARG 12 4.255 1.604 5.804 96 HE ARG 12 HE ARG 12 1.636 2.354 6.245 97 HH11 ARG 12 HH11 ARG 12 3.630 -0.430 6.888 98 HH12 ARG 12 HH12 ARG 12 2.764 -0.879 8.320 99 HH21 ARG 12 HH21 ARG 12 0.981 0.372 9.025 100 HH22 ARG 12 HH22 ARG 12 0.492 1.771 8.128 101 H VAL 13 HN VAL 13 0.948 -0.319 0.657 102 HA VAL 13 HA VAL 13 -1.645 0.782 0.345 103 HB VAL 13 HB VAL 13 -1.961 -0.887 -1.421 104 HG11 VAL 13 HG11 VAL 13 -0.086 -0.225 -2.854 105 HG12 VAL 13 HG12 VAL 13 0.785 0.362 -1.436 106 HG13 VAL 13 HG13 VAL 13 -0.717 1.142 -1.934 107 HG21 VAL 13 HG21 VAL 13 0.660 -2.022 -0.454 108 HG22 VAL 13 HG22 VAL 13 -0.178 -2.501 -1.931 109 HG23 VAL 13 HG23 VAL 13 -0.918 -2.802 -0.359 110 H ASN 14 HN ASN 14 -3.499 -0.971 -0.099 111 HA ASN 14 HA ASN 14 -4.250 -1.923 2.465 112 HB2 ASN 14 HB2 ASN 14 -5.445 -2.311 -0.279 113 HB3 ASN 14 HB1 ASN 14 -6.171 -2.979 1.178 114 HD21 ASN 14 HD21 ASN 14 -5.912 1.073 1.345 115 HD22 ASN 14 HD22 ASN 14 -4.511 0.093 1.108 116 H LYS 15 HN LYS 15 -5.123 -4.243 2.695 117 HA LYS 15 HA LYS 15 -2.896 -6.021 2.298 118 HB2 LYS 15 HB2 LYS 15 -5.618 -6.527 3.514 119 HB3 LYS 15 HB1 LYS 15 -4.256 -7.637 3.573 120 HG2 LYS 15 HG2 LYS 15 -4.288 -4.877 4.776 121 HG3 LYS 15 HG1 LYS 15 -4.559 -6.378 5.661 122 HD2 LYS 15 HD2 LYS 15 -2.318 -7.147 5.046 123 HD3 LYS 15 HD1 LYS 15 -2.047 -5.646 4.158 124 HE2 LYS 15 HE2 LYS 15 -1.001 -5.563 6.357 125 HE3 LYS 15 HE1 LYS 15 -2.294 -4.372 6.225 126 HZ1 LYS 15 HZ1 LYS 15 -3.754 -5.879 7.427 127 HZ2 LYS 15 HZ2 LYS 15 -2.378 -5.519 8.341 128 HZ3 LYS 15 HZ3 LYS 15 -2.507 -7.015 7.561 129 H HIS 16 HN HIS 16 -6.368 -6.433 1.586 130 HA HIS 16 HA HIS 16 -5.602 -8.075 -0.732 131 HB2 HIS 16 HB2 HIS 16 -8.196 -8.038 0.825 132 HB3 HIS 16 HB1 HIS 16 -7.853 -9.073 -0.557 133 HD1 HIS 16 HD1 HIS 16 -6.614 -11.220 -0.117 134 HD2 HIS 16 HD2 HIS 16 -6.673 -8.690 3.179 135 HE1 HIS 16 HE1 HIS 16 -5.692 -12.577 1.789 136 HE2 HIS 16 HE2 HIS 16 -5.736 -11.026 3.774 137 H SER 17 HN SER 17 -6.070 -7.388 -2.721 138 HA SER 17 HA SER 17 -8.135 -5.327 -3.064 139 HB2 SER 17 HB2 SER 17 -5.369 -5.256 -4.300 140 HB3 SER 17 HB1 SER 17 -6.676 -4.129 -4.662 141 HG SER 17 HG SER 17 -5.809 -3.044 -3.075 142 H THR 18 HN THR 18 -7.545 -8.332 -3.673 143 HA THR 18 HA THR 18 -7.798 -8.443 -6.546 144 HB THR 18 HB THR 18 -8.307 -10.747 -4.670 145 HG1 THR 18 HG1 THR 18 -5.817 -9.640 -5.497 146 HG21 THR 18 HG21 THR 18 -7.157 -10.569 -7.458 147 HG22 THR 18 HG22 THR 18 -8.778 -11.122 -7.036 148 HG23 THR 18 HG23 THR 18 -7.368 -12.054 -6.531 149 H SER 19 HN SER 19 -9.806 -6.929 -5.162 150 HA SER 19 HA SER 19 -12.221 -8.486 -5.073 151 HB2 SER 19 HB1 SER 19 -13.300 -6.462 -4.410 152 HB3 SER 19 HB2 SER 19 -11.716 -6.454 -3.633 153 HG SER 19 HG SER 19 -12.648 -4.922 -5.792 154 H ILE 20 HN ILE 20 -10.561 -8.053 -7.617 155 HA ILE 20 HA ILE 20 -12.688 -6.948 -9.322 156 HB ILE 20 HB ILE 20 -10.965 -6.789 -11.087 157 HG12 ILE 20 HG12 ILE 20 -9.032 -7.570 -8.891 158 HG13 ILE 20 HG11 ILE 20 -9.511 -8.616 -10.223 159 HG21 ILE 20 HG21 ILE 20 -9.749 -4.899 -10.114 160 HG22 ILE 20 HG22 ILE 20 -10.251 -5.408 -8.502 161 HG23 ILE 20 HG23 ILE 20 -11.456 -4.868 -9.672 162 HD11 ILE 20 HD11 ILE 20 -8.531 -7.041 -11.809 163 HD12 ILE 20 HD12 ILE 20 -7.346 -7.614 -10.635 164 HD13 ILE 20 HD13 ILE 20 -8.043 -6.002 -10.470 165 H GLY 21 HN GLY 21 -12.697 -8.009 -11.585 166 HA2 GLY 21 HA1 GLY 21 -11.966 -10.382 -12.447 167 HA3 GLY 21 HA2 GLY 21 -13.032 -10.884 -11.143 168 H LYS 22 HN LYS 22 -14.435 -8.156 -12.050 169 HA LYS 22 HA LYS 22 -16.336 -9.542 -13.763 170 HB2 LYS 22 HB1 LYS 22 -16.448 -6.789 -12.516 171 HB3 LYS 22 HB2 LYS 22 -17.755 -7.550 -13.413 172 HG2 LYS 22 HG1 LYS 22 -17.881 -9.319 -11.732 173 HG3 LYS 22 HG2 LYS 22 -16.569 -8.555 -10.833 174 HD2 LYS 22 HD2 LYS 22 -17.943 -6.552 -10.532 175 HD3 LYS 22 HD1 LYS 22 -19.254 -7.315 -11.432 176 HE2 LYS 22 HE1 LYS 22 -19.634 -7.475 -9.030 177 HE3 LYS 22 HE2 LYS 22 -19.403 -9.070 -9.744 178 HZ1 LYS 22 HZ1 LYS 22 -18.188 -8.848 -7.671 179 HZ2 LYS 22 HZ2 LYS 22 -17.338 -7.518 -8.279 180 HZ3 LYS 22 HZ3 LYS 22 -17.115 -9.047 -8.964 Start of MODEL 12 1 H1 ACE 0 HA1 ACE 0 8.473 -2.010 -10.677 2 H2 ACE 0 HA2 ACE 0 7.262 -0.864 -10.109 3 H3 ACE 0 HA3 ACE 0 7.365 -2.445 -9.340 4 H MET 1 HN MET 1 8.085 0.705 -8.921 5 HA MET 1 HA MET 1 10.611 0.255 -7.520 6 HB2 MET 1 HB1 MET 1 9.084 2.810 -8.053 7 HB3 MET 1 HB2 MET 1 10.654 2.713 -7.268 8 HG2 MET 1 HG2 MET 1 11.621 1.782 -9.304 9 HG3 MET 1 HG1 MET 1 10.047 1.868 -10.092 10 HE1 MET 1 HE1 MET 1 11.647 4.476 -7.611 11 HE2 MET 1 HE2 MET 1 12.449 5.569 -8.739 12 HE3 MET 1 HE3 MET 1 13.023 3.912 -8.559 13 H ASP 2 HN ASP 2 10.748 0.045 -5.381 14 HA ASP 2 HA ASP 2 8.677 1.138 -3.650 15 HB2 ASP 2 HB2 ASP 2 9.386 -1.804 -3.659 16 HB3 ASP 2 HB1 ASP 2 8.367 -1.010 -2.463 17 H TRP 3 HN TRP 3 9.315 1.219 -1.410 18 HA TRP 3 HA TRP 3 10.786 1.593 0.292 19 HB2 TRP 3 HB2 TRP 3 11.439 -0.683 0.298 20 HB3 TRP 3 HB1 TRP 3 12.288 -0.529 -1.235 21 HD1 TRP 3 HD1 TRP 3 14.822 -0.796 -0.797 22 HE1 TRP 3 HE1 TRP 3 16.477 0.031 1.000 23 HE3 TRP 3 HE3 TRP 3 11.550 1.597 2.190 24 HZ2 TRP 3 HZ2 TRP 3 16.374 1.533 3.408 25 HZ3 TRP 3 HZ3 TRP 3 12.357 2.726 4.242 26 HH2 TRP 3 HH2 TRP 3 14.731 2.690 4.831 27 H GLY 4 HN GLY 4 13.147 0.958 -2.189 28 HA2 GLY 4 HA1 GLY 4 13.755 3.572 -2.972 29 HA3 GLY 4 HA2 GLY 4 14.784 3.137 -1.603 30 H THR 5 HN THR 5 14.729 0.344 -2.257 31 HA THR 5 HA THR 5 15.804 -0.077 -4.885 32 HB THR 5 HB THR 5 17.662 -0.672 -2.578 33 HG1 THR 5 HG1 THR 5 17.708 1.612 -4.288 34 HG21 THR 5 HG21 THR 5 18.080 -0.452 -5.562 35 HG22 THR 5 HG22 THR 5 18.040 -1.942 -4.621 36 HG23 THR 5 HG23 THR 5 19.345 -0.782 -4.378 37 H LEU 6 HN LEU 6 13.744 -0.924 -2.866 38 HA LEU 6 HA LEU 6 14.324 -3.811 -2.704 39 HB2 LEU 6 HB1 LEU 6 13.719 -2.164 -0.676 40 HB3 LEU 6 HB2 LEU 6 12.093 -2.582 -1.163 41 HG LEU 6 HG LEU 6 13.480 -5.020 -0.974 42 HD11 LEU 6 HD21 LEU 6 15.272 -3.930 0.227 43 HD12 LEU 6 HD22 LEU 6 14.336 -4.924 1.343 44 HD13 LEU 6 HD23 LEU 6 14.116 -3.172 1.323 45 HD21 LEU 6 HD11 LEU 6 11.138 -4.653 -0.419 46 HD22 LEU 6 HD12 LEU 6 11.608 -3.659 0.959 47 HD23 LEU 6 HD13 LEU 6 11.988 -5.382 0.943 48 H GLN 7 HN GLN 7 11.593 -4.486 -2.130 49 HA GLN 7 HA GLN 7 10.034 -3.571 -4.372 50 HB2 GLN 7 HB1 GLN 7 9.647 -5.788 -5.322 51 HB3 GLN 7 HB2 GLN 7 11.350 -5.367 -5.390 52 HG2 GLN 7 HG2 GLN 7 10.100 -7.166 -3.330 53 HG3 GLN 7 HG1 GLN 7 10.954 -7.710 -4.770 54 HE21 GLN 7 HE21 GLN 7 11.270 -6.187 -1.649 55 HE22 GLN 7 HE22 GLN 7 12.980 -6.384 -1.510 56 H THR 8 HN THR 8 10.083 -6.236 -1.977 57 HA THR 8 HA THR 8 7.255 -5.903 -1.522 58 HB THR 8 HB THR 8 7.958 -8.163 -1.380 59 HG1 THR 8 HG1 THR 8 6.751 -7.055 0.578 60 HG21 THR 8 HG21 THR 8 10.354 -7.763 -1.062 61 HG22 THR 8 HG22 THR 8 9.745 -8.942 0.099 62 HG23 THR 8 HG23 THR 8 10.055 -7.283 0.609 63 H ILE 9 HN ILE 9 7.026 -3.879 -0.736 64 HA ILE 9 HA ILE 9 7.441 -3.502 2.039 65 HB ILE 9 HB ILE 9 9.462 -2.687 0.201 66 HG12 ILE 9 HG12 ILE 9 9.745 -3.809 2.364 67 HG13 ILE 9 HG11 ILE 9 10.752 -2.369 2.215 68 HG21 ILE 9 HG21 ILE 9 8.391 -0.565 0.002 69 HG22 ILE 9 HG22 ILE 9 9.808 -0.375 1.033 70 HG23 ILE 9 HG23 ILE 9 8.199 -0.436 1.751 71 HD11 ILE 9 HD11 ILE 9 9.166 -1.125 3.595 72 HD12 ILE 9 HD12 ILE 9 9.782 -2.548 4.436 73 HD13 ILE 9 HD13 ILE 9 8.162 -2.568 3.739 74 H LEU 10 HN LEU 10 6.538 -2.259 -1.068 75 HA LEU 10 HA LEU 10 4.445 -0.644 0.197 76 HB2 LEU 10 HB1 LEU 10 6.714 0.386 -1.136 77 HB3 LEU 10 HB2 LEU 10 5.341 0.656 -2.184 78 HG LEU 10 HG LEU 10 5.892 2.555 -0.622 79 HD11 LEU 10 HD11 LEU 10 3.716 2.358 -1.693 80 HD12 LEU 10 HD12 LEU 10 3.555 2.999 -0.060 81 HD13 LEU 10 HD13 LEU 10 3.155 1.314 -0.387 82 HD21 LEU 10 HD21 LEU 10 5.248 2.390 1.691 83 HD22 LEU 10 HD22 LEU 10 6.443 1.142 1.334 84 HD23 LEU 10 HD23 LEU 10 4.735 0.717 1.466 85 H GLY 11 HN GLY 11 4.660 -3.248 -1.314 86 HA2 GLY 11 HA2 GLY 11 3.424 -2.767 -3.841 87 HA3 GLY 11 HA1 GLY 11 3.590 -4.332 -3.052 88 H ARG 12 HN ARG 12 2.154 -1.761 -1.281 89 HA ARG 12 HA ARG 12 0.082 -1.399 -0.453 90 HB2 ARG 12 HB2 ARG 12 -0.457 -0.913 -2.801 91 HB3 ARG 12 HB1 ARG 12 -0.813 -2.612 -3.075 92 HG2 ARG 12 HG1 ARG 12 -2.664 -2.490 -1.493 93 HG3 ARG 12 HG2 ARG 12 -2.301 -0.788 -1.197 94 HD2 ARG 12 HD2 ARG 12 -4.145 -1.015 -2.767 95 HD3 ARG 12 HD1 ARG 12 -2.744 -0.284 -3.548 96 HE ARG 12 HE ARG 12 -2.662 -3.054 -3.964 97 HH11 ARG 12 HH11 ARG 12 -5.022 -0.941 -6.414 98 HH12 ARG 12 HH12 ARG 12 -4.544 -0.271 -4.890 99 HH21 ARG 12 HH21 ARG 12 -4.308 -3.029 -7.027 100 HH22 ARG 12 HH22 ARG 12 -3.287 -3.944 -5.968 101 H VAL 13 HN VAL 13 0.018 -2.725 1.292 102 HA VAL 13 HA VAL 13 -1.161 -5.398 0.885 103 HB VAL 13 HB VAL 13 0.698 -4.575 3.120 104 HG11 VAL 13 HG11 VAL 13 -0.448 -7.264 2.375 105 HG12 VAL 13 HG12 VAL 13 -0.885 -6.297 3.783 106 HG13 VAL 13 HG13 VAL 13 0.739 -6.970 3.646 107 HG21 VAL 13 HG21 VAL 13 1.894 -4.672 1.006 108 HG22 VAL 13 HG22 VAL 13 1.237 -6.277 0.690 109 HG23 VAL 13 HG23 VAL 13 2.349 -6.030 2.036 110 H ASN 14 HN ASN 14 -1.009 -2.538 2.943 111 HA ASN 14 HA ASN 14 -3.746 -3.014 3.791 112 HB2 ASN 14 HB1 ASN 14 -2.369 -4.176 5.492 113 HB3 ASN 14 HB2 ASN 14 -1.523 -2.666 5.814 114 HD21 ASN 14 HD21 ASN 14 -5.225 -3.357 7.319 115 HD22 ASN 14 HD22 ASN 14 -4.514 -4.403 6.142 116 H LYS 15 HN LYS 15 -1.293 -1.010 2.827 117 HA LYS 15 HA LYS 15 -1.078 1.233 2.545 118 HB2 LYS 15 HB2 LYS 15 -4.026 1.240 3.218 119 HB3 LYS 15 HB1 LYS 15 -3.142 2.591 2.525 120 HG2 LYS 15 HG2 LYS 15 -2.666 1.274 0.531 121 HG3 LYS 15 HG1 LYS 15 -3.529 -0.099 1.228 122 HD2 LYS 15 HD1 LYS 15 -4.989 1.024 -0.315 123 HD3 LYS 15 HD2 LYS 15 -5.576 1.305 1.325 124 HE2 LYS 15 HE1 LYS 15 -4.517 3.507 1.332 125 HE3 LYS 15 HE2 LYS 15 -3.918 3.227 -0.303 126 HZ1 LYS 15 HZ1 LYS 15 -6.205 3.086 -1.076 127 HZ2 LYS 15 HZ2 LYS 15 -5.916 4.573 -0.324 128 HZ3 LYS 15 HZ3 LYS 15 -6.776 3.366 0.492 129 H HIS 16 HN HIS 16 0.279 1.851 4.143 130 HA HIS 16 HA HIS 16 -0.834 2.426 6.794 131 HB2 HIS 16 HB2 HIS 16 2.046 2.277 5.876 132 HB3 HIS 16 HB1 HIS 16 1.516 2.556 7.532 133 HD1 HIS 16 HD1 HIS 16 0.966 0.535 8.925 134 HD2 HIS 16 HD2 HIS 16 1.484 -0.377 4.904 135 HE1 HIS 16 HE1 HIS 16 0.984 -1.977 8.802 136 HE2 HIS 16 HE2 HIS 16 1.298 -2.508 6.359 137 H SER 17 HN SER 17 -0.076 4.410 7.892 138 HA SER 17 HA SER 17 0.844 6.597 6.260 139 HB2 SER 17 HB1 SER 17 -1.140 8.020 6.625 140 HB3 SER 17 HB2 SER 17 -1.535 6.590 5.670 141 HG SER 17 HG SER 17 -3.017 7.115 7.433 142 H THR 18 HN THR 18 0.870 4.998 9.035 143 HA THR 18 HA THR 18 0.614 6.879 11.083 144 HB THR 18 HB THR 18 2.582 4.582 10.997 145 HG1 THR 18 HG1 THR 18 0.337 4.006 10.584 146 HG21 THR 18 HG21 THR 18 2.988 6.128 12.841 147 HG22 THR 18 HG22 THR 18 2.329 4.608 13.444 148 HG23 THR 18 HG23 THR 18 1.293 6.029 13.315 149 H SER 19 HN SER 19 3.022 6.502 8.662 150 HA SER 19 HA SER 19 5.252 7.662 9.874 151 HB2 SER 19 HB1 SER 19 5.439 6.551 7.732 152 HB3 SER 19 HB2 SER 19 4.351 7.722 6.985 153 HG SER 19 HG SER 19 6.373 8.407 6.490 154 H ILE 20 HN ILE 20 6.119 9.797 9.693 155 HA ILE 20 HA ILE 20 4.048 11.880 9.439 156 HB ILE 20 HB ILE 20 5.333 13.209 11.077 157 HG12 ILE 20 HG12 ILE 20 6.931 10.669 11.483 158 HG13 ILE 20 HG11 ILE 20 7.529 12.107 10.661 159 HG21 ILE 20 HG21 ILE 20 3.435 11.865 11.805 160 HG22 ILE 20 HG22 ILE 20 4.677 11.928 13.055 161 HG23 ILE 20 HG23 ILE 20 4.500 10.482 12.061 162 HD11 ILE 20 HD11 ILE 20 7.274 13.388 12.722 163 HD12 ILE 20 HD12 ILE 20 8.342 12.002 12.938 164 HD13 ILE 20 HD13 ILE 20 6.686 11.943 13.543 165 H GLY 21 HN GLY 21 5.028 14.100 9.020 166 HA2 GLY 21 HA1 GLY 21 6.705 15.436 7.999 167 HA3 GLY 21 HA2 GLY 21 7.460 13.972 7.386 168 H LYS 22 HN LYS 22 4.044 14.252 7.067 169 HA LYS 22 HA LYS 22 4.325 15.128 4.274 170 HB2 LYS 22 HB2 LYS 22 2.658 12.798 5.239 171 HB3 LYS 22 HB1 LYS 22 2.665 13.429 3.599 172 HG2 LYS 22 HG1 LYS 22 5.031 12.838 3.385 173 HG3 LYS 22 HG2 LYS 22 5.009 12.188 5.026 174 HD2 LYS 22 HD1 LYS 22 3.267 11.203 2.768 175 HD3 LYS 22 HD2 LYS 22 4.783 10.449 3.268 176 HE2 LYS 22 HE1 LYS 22 2.324 10.799 4.979 177 HE3 LYS 22 HE2 LYS 22 2.864 9.294 4.236 178 HZ1 LYS 22 HZ1 LYS 22 4.359 10.845 6.281 179 HZ2 LYS 22 HZ2 LYS 22 4.878 9.402 5.567 180 HZ3 LYS 22 HZ3 LYS 22 3.507 9.409 6.558 Start of MODEL 13 1 H1 ACE 0 HA1 ACE 0 9.002 0.105 -10.758 2 H2 ACE 0 HA2 ACE 0 8.170 1.273 -9.735 3 H3 ACE 0 HA3 ACE 0 8.303 -0.397 -9.189 4 H MET 1 HN MET 1 9.213 2.140 -7.960 5 HA MET 1 HA MET 1 11.955 1.270 -7.433 6 HB2 MET 1 HB1 MET 1 12.125 3.066 -9.105 7 HB3 MET 1 HB2 MET 1 11.198 4.130 -8.056 8 HG2 MET 1 HG1 MET 1 12.966 4.025 -6.379 9 HG3 MET 1 HG2 MET 1 13.894 2.951 -7.424 10 HE1 MET 1 HE1 MET 1 16.001 4.552 -7.248 11 HE2 MET 1 HE2 MET 1 15.092 5.627 -6.186 12 HE3 MET 1 HE3 MET 1 15.945 6.283 -7.583 13 H ASP 2 HN ASP 2 12.198 1.007 -5.324 14 HA ASP 2 HA ASP 2 11.078 2.933 -3.457 15 HB2 ASP 2 HB1 ASP 2 10.374 -0.007 -3.338 16 HB3 ASP 2 HB2 ASP 2 10.031 1.161 -2.066 17 H TRP 3 HN TRP 3 11.879 2.555 -1.223 18 HA TRP 3 HA TRP 3 13.567 2.209 0.270 19 HB2 TRP 3 HB2 TRP 3 13.303 -0.127 0.166 20 HB3 TRP 3 HB1 TRP 3 13.894 -0.210 -1.490 21 HD1 TRP 3 HD1 TRP 3 16.187 -1.396 -1.542 22 HE1 TRP 3 HE1 TRP 3 18.276 -1.439 -0.033 23 HE3 TRP 3 HE3 TRP 3 14.562 1.705 2.090 24 HZ2 TRP 3 HZ2 TRP 3 19.115 -0.274 2.415 25 HZ3 TRP 3 HZ3 TRP 3 16.037 2.224 4.006 26 HH2 TRP 3 HH2 TRP 3 18.276 1.247 4.157 27 H GLY 4 HN GLY 4 15.186 0.923 -2.537 28 HA2 GLY 4 HA1 GLY 4 16.661 3.158 -3.327 29 HA3 GLY 4 HA2 GLY 4 17.593 2.271 -2.116 30 H THR 5 HN THR 5 16.411 -0.244 -2.816 31 HA THR 5 HA THR 5 16.932 -0.855 -5.569 32 HB THR 5 HB THR 5 18.706 -2.233 -3.547 33 HG1 THR 5 HG1 THR 5 19.174 0.088 -3.767 34 HG21 THR 5 HG21 THR 5 18.789 -2.017 -6.560 35 HG22 THR 5 HG22 THR 5 18.330 -3.440 -5.625 36 HG23 THR 5 HG23 THR 5 19.988 -2.844 -5.568 37 H LEU 6 HN LEU 6 14.986 -1.050 -3.250 38 HA LEU 6 HA LEU 6 14.491 -3.955 -3.233 39 HB2 LEU 6 HB1 LEU 6 14.760 -2.504 -1.080 40 HB3 LEU 6 HB2 LEU 6 13.134 -1.960 -1.448 41 HG LEU 6 HG LEU 6 13.133 -4.805 -1.524 42 HD11 LEU 6 HD21 LEU 6 14.429 -3.627 0.934 43 HD12 LEU 6 HD22 LEU 6 15.161 -4.766 -0.198 44 HD13 LEU 6 HD23 LEU 6 13.800 -5.271 0.805 45 HD21 LEU 6 HD11 LEU 6 11.211 -3.437 -1.010 46 HD22 LEU 6 HD12 LEU 6 12.016 -2.786 0.419 47 HD23 LEU 6 HD13 LEU 6 11.561 -4.490 0.361 48 H GLN 7 HN GLN 7 11.932 -4.211 -2.757 49 HA GLN 7 HA GLN 7 10.356 -2.392 -4.338 50 HB2 GLN 7 HB2 GLN 7 11.043 -5.147 -5.263 51 HB3 GLN 7 HB1 GLN 7 9.439 -4.516 -5.612 52 HG2 GLN 7 HG2 GLN 7 12.014 -3.155 -6.356 53 HG3 GLN 7 HG1 GLN 7 11.059 -4.167 -7.439 54 HE21 GLN 7 HE21 GLN 7 9.899 -0.368 -6.555 55 HE22 GLN 7 HE22 GLN 7 11.149 -1.159 -5.662 56 H THR 8 HN THR 8 10.596 -5.082 -2.148 57 HA THR 8 HA THR 8 7.745 -5.273 -1.794 58 HB THR 8 HB THR 8 8.193 -6.924 -0.083 59 HG1 THR 8 HG1 THR 8 10.394 -5.522 0.210 60 HG21 THR 8 HG21 THR 8 8.397 -7.692 -2.403 61 HG22 THR 8 HG22 THR 8 9.523 -8.551 -1.351 62 HG23 THR 8 HG23 THR 8 10.107 -7.259 -2.400 63 H ILE 9 HN ILE 9 8.481 -2.763 -1.506 64 HA ILE 9 HA ILE 9 8.766 -2.070 1.280 65 HB ILE 9 HB ILE 9 8.978 -0.766 -1.324 66 HG12 ILE 9 HG12 ILE 9 10.927 -1.291 0.061 67 HG13 ILE 9 HG11 ILE 9 10.805 0.443 -0.212 68 HG21 ILE 9 HG21 ILE 9 7.143 0.564 -0.535 69 HG22 ILE 9 HG22 ILE 9 8.618 1.523 -0.420 70 HG23 ILE 9 HG23 ILE 9 7.923 0.797 1.030 71 HD11 ILE 9 HD11 ILE 9 11.448 -0.053 2.074 72 HD12 ILE 9 HD12 ILE 9 9.978 -1.003 2.292 73 HD13 ILE 9 HD13 ILE 9 9.871 0.736 2.017 74 H LEU 10 HN LEU 10 6.357 -2.114 -1.218 75 HA LEU 10 HA LEU 10 4.228 -1.922 0.716 76 HB2 LEU 10 HB2 LEU 10 4.406 0.367 0.538 77 HB3 LEU 10 HB1 LEU 10 4.924 0.305 -1.134 78 HG LEU 10 HG LEU 10 2.236 -0.698 -0.909 79 HD11 LEU 10 HD11 LEU 10 2.662 2.088 0.149 80 HD12 LEU 10 HD12 LEU 10 2.188 0.693 1.118 81 HD13 LEU 10 HD13 LEU 10 1.114 1.294 -0.146 82 HD21 LEU 10 HD21 LEU 10 3.259 1.820 -2.202 83 HD22 LEU 10 HD22 LEU 10 1.824 0.888 -2.636 84 HD23 LEU 10 HD23 LEU 10 3.432 0.213 -2.906 85 H GLY 11 HN GLY 11 2.392 -2.911 0.006 86 HA2 GLY 11 HA2 GLY 11 2.115 -3.479 -2.857 87 HA3 GLY 11 HA1 GLY 11 2.192 -4.842 -1.751 88 H ARG 12 HN ARG 12 0.620 -1.773 -1.062 89 HA ARG 12 HA ARG 12 -1.527 -1.244 -0.534 90 HB2 ARG 12 HB1 ARG 12 -2.024 -3.311 -2.676 91 HB3 ARG 12 HB2 ARG 12 -3.312 -2.375 -1.935 92 HG2 ARG 12 HG1 ARG 12 -2.790 -1.293 -3.957 93 HG3 ARG 12 HG2 ARG 12 -2.079 -0.306 -2.679 94 HD2 ARG 12 HD2 ARG 12 0.103 -1.300 -3.103 95 HD3 ARG 12 HD1 ARG 12 -0.596 -2.332 -4.350 96 HE ARG 12 HE ARG 12 -1.162 0.333 -4.988 97 HH11 ARG 12 HH11 ARG 12 1.569 -1.819 -4.755 98 HH12 ARG 12 HH12 ARG 12 2.491 -0.988 -5.963 99 HH21 ARG 12 HH21 ARG 12 1.624 0.861 -7.000 100 HH22 ARG 12 HH22 ARG 12 0.045 1.433 -6.579 101 H VAL 13 HN VAL 13 -0.118 -3.521 0.839 102 HA VAL 13 HA VAL 13 -1.926 -5.542 1.536 103 HB VAL 13 HB VAL 13 0.250 -4.382 3.279 104 HG11 VAL 13 HG11 VAL 13 0.278 -6.613 4.309 105 HG12 VAL 13 HG12 VAL 13 -1.094 -7.082 3.305 106 HG13 VAL 13 HG13 VAL 13 -1.278 -5.809 4.513 107 HG21 VAL 13 HG21 VAL 13 1.682 -6.138 2.344 108 HG22 VAL 13 HG22 VAL 13 1.131 -5.014 1.100 109 HG23 VAL 13 HG23 VAL 13 0.384 -6.605 1.246 110 H ASN 14 HN ASN 14 -1.029 -2.687 3.485 111 HA ASN 14 HA ASN 14 -3.401 -3.018 5.115 112 HB2 ASN 14 HB2 ASN 14 -1.276 -2.392 6.175 113 HB3 ASN 14 HB1 ASN 14 -1.227 -0.918 5.214 114 HD21 ASN 14 HD21 ASN 14 -2.764 -2.573 7.851 115 HD22 ASN 14 HD22 ASN 14 -3.560 -1.193 8.519 116 H LYS 15 HN LYS 15 -5.290 -2.135 4.634 117 HA LYS 15 HA LYS 15 -5.413 0.001 2.650 118 HB2 LYS 15 HB2 LYS 15 -7.615 -1.649 3.905 119 HB3 LYS 15 HB1 LYS 15 -7.837 -0.467 2.623 120 HG2 LYS 15 HG1 LYS 15 -6.431 -1.802 1.140 121 HG3 LYS 15 HG2 LYS 15 -6.200 -2.987 2.427 122 HD2 LYS 15 HD1 LYS 15 -8.608 -3.422 2.459 123 HD3 LYS 15 HD2 LYS 15 -8.839 -2.236 1.173 124 HE2 LYS 15 HE1 LYS 15 -7.216 -4.769 0.973 125 HE3 LYS 15 HE2 LYS 15 -8.823 -4.516 0.293 126 HZ1 LYS 15 HZ1 LYS 15 -7.917 -2.776 -1.114 127 HZ2 LYS 15 HZ2 LYS 15 -7.099 -4.233 -1.374 128 HZ3 LYS 15 HZ3 LYS 15 -6.375 -3.010 -0.458 129 H HIS 16 HN HIS 16 -4.982 -0.076 5.841 130 HA HIS 16 HA HIS 16 -5.275 1.387 7.554 131 HB2 HIS 16 HB2 HIS 16 -6.137 3.263 5.343 132 HB3 HIS 16 HB1 HIS 16 -5.738 3.744 6.988 133 HD1 HIS 16 HD1 HIS 16 -3.299 4.075 7.544 134 HD2 HIS 16 HD2 HIS 16 -3.887 2.362 3.804 135 HE1 HIS 16 HE1 HIS 16 -1.043 4.094 6.434 136 HE2 HIS 16 HE2 HIS 16 -1.422 3.053 4.171 137 H SER 17 HN SER 17 -6.861 0.623 8.821 138 HA SER 17 HA SER 17 -9.605 1.510 8.226 139 HB2 SER 17 HB1 SER 17 -9.432 -0.897 7.782 140 HB3 SER 17 HB2 SER 17 -8.789 -1.159 9.404 141 HG SER 17 HG SER 17 -10.960 -1.581 9.486 142 H THR 18 HN THR 18 -7.052 1.802 10.253 143 HA THR 18 HA THR 18 -8.281 1.686 12.811 144 HB THR 18 HB THR 18 -5.855 1.574 12.600 145 HG1 THR 18 HG1 THR 18 -6.472 2.373 14.568 146 HG21 THR 18 HG21 THR 18 -5.566 3.048 10.672 147 HG22 THR 18 HG22 THR 18 -4.543 3.564 12.012 148 HG23 THR 18 HG23 THR 18 -6.033 4.437 11.653 149 H SER 19 HN SER 19 -8.817 3.723 10.269 150 HA SER 19 HA SER 19 -8.969 6.274 11.387 151 HB2 SER 19 HB2 SER 19 -10.608 4.996 9.187 152 HB3 SER 19 HB1 SER 19 -10.648 6.719 9.570 153 HG SER 19 HG SER 19 -9.095 5.772 7.877 154 H ILE 20 HN ILE 20 -10.271 7.170 12.843 155 HA ILE 20 HA ILE 20 -12.542 5.622 13.837 156 HB ILE 20 HB ILE 20 -10.956 6.422 15.504 157 HG12 ILE 20 HG11 ILE 20 -13.560 7.956 15.680 158 HG13 ILE 20 HG12 ILE 20 -13.376 6.249 16.069 159 HG21 ILE 20 HG21 ILE 20 -11.686 9.189 14.550 160 HG22 ILE 20 HG22 ILE 20 -10.132 8.386 14.325 161 HG23 ILE 20 HG23 ILE 20 -10.676 8.814 15.947 162 HD11 ILE 20 HD11 ILE 20 -12.026 8.536 17.480 163 HD12 ILE 20 HD12 ILE 20 -11.829 6.827 17.865 164 HD13 ILE 20 HD13 ILE 20 -13.399 7.602 18.076 165 H GLY 21 HN GLY 21 -14.636 6.351 13.839 166 HA2 GLY 21 HA2 GLY 21 -15.170 8.987 12.651 167 HA3 GLY 21 HA1 GLY 21 -15.908 7.562 11.937 168 H LYS 22 HN LYS 22 -15.905 6.613 14.944 169 HA LYS 22 HA LYS 22 -18.465 7.926 15.576 170 HB2 LYS 22 HB1 LYS 22 -18.897 5.804 16.921 171 HB3 LYS 22 HB2 LYS 22 -18.931 5.652 15.171 172 HG2 LYS 22 HG2 LYS 22 -16.647 4.761 15.213 173 HG3 LYS 22 HG1 LYS 22 -16.644 4.882 16.973 174 HD2 LYS 22 HD2 LYS 22 -18.601 3.239 15.372 175 HD3 LYS 22 HD1 LYS 22 -17.147 2.599 16.139 176 HE2 LYS 22 HE2 LYS 22 -17.988 3.314 18.324 177 HE3 LYS 22 HE1 LYS 22 -19.444 3.945 17.556 178 HZ1 LYS 22 HZ1 LYS 22 -18.586 1.101 17.557 179 HZ2 LYS 22 HZ2 LYS 22 -19.984 1.707 16.823 180 HZ3 LYS 22 HZ3 LYS 22 -19.823 1.760 18.505 Start of MODEL 14 1 H1 ACE 0 HA1 ACE 0 6.422 2.520 -8.636 2 H2 ACE 0 HA2 ACE 0 6.172 1.035 -9.551 3 H3 ACE 0 HA3 ACE 0 7.406 2.172 -10.090 4 H MET 1 HN MET 1 9.086 2.689 -8.384 5 HA MET 1 HA MET 1 10.126 0.156 -7.418 6 HB2 MET 1 HB1 MET 1 12.187 1.436 -6.968 7 HB3 MET 1 HB2 MET 1 11.641 1.618 -8.629 8 HG2 MET 1 HG1 MET 1 10.683 3.792 -8.083 9 HG3 MET 1 HG2 MET 1 11.217 3.610 -6.413 10 HE1 MET 1 HE1 MET 1 13.140 2.545 -9.684 11 HE2 MET 1 HE2 MET 1 14.093 3.995 -10.003 12 HE3 MET 1 HE3 MET 1 12.336 4.046 -10.147 13 H ASP 2 HN ASP 2 11.503 0.535 -5.249 14 HA ASP 2 HA ASP 2 9.974 2.017 -3.267 15 HB2 ASP 2 HB1 ASP 2 10.349 -0.980 -3.103 16 HB3 ASP 2 HB2 ASP 2 9.727 0.031 -1.803 17 H TRP 3 HN TRP 3 11.066 2.074 -1.157 18 HA TRP 3 HA TRP 3 12.898 2.392 0.162 19 HB2 TRP 3 HB2 TRP 3 13.433 0.106 0.169 20 HB3 TRP 3 HB1 TRP 3 13.850 0.102 -1.540 21 HD1 TRP 3 HD1 TRP 3 16.388 -0.223 -1.844 22 HE1 TRP 3 HE1 TRP 3 18.511 0.522 -0.587 23 HE3 TRP 3 HE3 TRP 3 14.191 2.345 1.901 24 HZ2 TRP 3 HZ2 TRP 3 19.153 2.033 1.727 25 HZ3 TRP 3 HZ3 TRP 3 15.592 3.433 3.625 26 HH2 TRP 3 HH2 TRP 3 18.032 3.276 3.530 27 H GLY 4 HN GLY 4 14.565 1.544 -2.783 28 HA2 GLY 4 HA1 GLY 4 15.148 4.071 -3.792 29 HA3 GLY 4 HA2 GLY 4 16.419 3.638 -2.643 30 H THR 5 HN THR 5 16.067 0.819 -3.134 31 HA THR 5 HA THR 5 16.533 0.199 -5.883 32 HB THR 5 HB THR 5 18.875 -0.306 -4.041 33 HG1 THR 5 HG1 THR 5 18.631 1.835 -5.911 34 HG21 THR 5 HG21 THR 5 20.081 -0.592 -6.171 35 HG22 THR 5 HG22 THR 5 18.582 -0.288 -7.049 36 HG23 THR 5 HG23 THR 5 18.731 -1.716 -6.024 37 H LEU 6 HN LEU 6 14.991 -0.471 -3.373 38 HA LEU 6 HA LEU 6 15.576 -3.357 -3.178 39 HB2 LEU 6 HB1 LEU 6 15.581 -1.730 -1.121 40 HB3 LEU 6 HB2 LEU 6 13.838 -1.854 -1.253 41 HG LEU 6 HG LEU 6 14.891 -4.496 -1.270 42 HD11 LEU 6 HD21 LEU 6 15.979 -2.741 0.931 43 HD12 LEU 6 HD22 LEU 6 16.918 -3.623 -0.276 44 HD13 LEU 6 HD23 LEU 6 15.994 -4.506 0.938 45 HD21 LEU 6 HD11 LEU 6 12.680 -3.802 -0.487 46 HD22 LEU 6 HD12 LEU 6 13.425 -2.929 0.852 47 HD23 LEU 6 HD13 LEU 6 13.553 -4.688 0.763 48 H GLN 7 HN GLN 7 13.406 -4.490 -2.384 49 HA GLN 7 HA GLN 7 11.039 -3.437 -3.629 50 HB2 GLN 7 HB2 GLN 7 12.485 -5.823 -4.751 51 HB3 GLN 7 HB1 GLN 7 10.742 -5.669 -4.917 52 HG2 GLN 7 HG2 GLN 7 12.852 -3.818 -5.990 53 HG3 GLN 7 HG1 GLN 7 11.761 -4.855 -6.907 54 HE21 GLN 7 HE21 GLN 7 9.503 -4.193 -5.120 55 HE22 GLN 7 HE22 GLN 7 8.998 -2.607 -5.584 56 H THR 8 HN THR 8 9.292 -5.338 -3.567 57 HA THR 8 HA THR 8 7.931 -6.547 -2.223 58 HB THR 8 HB THR 8 10.155 -7.553 -0.520 59 HG1 THR 8 HG1 THR 8 10.704 -7.328 -2.956 60 HG21 THR 8 HG21 THR 8 7.895 -8.458 -0.291 61 HG22 THR 8 HG22 THR 8 9.006 -9.693 -0.882 62 HG23 THR 8 HG23 THR 8 7.892 -8.905 -1.997 63 H ILE 9 HN ILE 9 9.405 -3.990 -1.436 64 HA ILE 9 HA ILE 9 9.509 -3.593 1.272 65 HB ILE 9 HB ILE 9 8.954 -1.928 -1.098 66 HG12 ILE 9 HG12 ILE 9 11.255 -2.451 -0.394 67 HG13 ILE 9 HG11 ILE 9 10.943 -0.720 -0.339 68 HG21 ILE 9 HG21 ILE 9 7.341 -0.973 0.387 69 HG22 ILE 9 HG22 ILE 9 8.727 0.116 0.320 70 HG23 ILE 9 HG23 ILE 9 8.502 -0.939 1.715 71 HD11 ILE 9 HD11 ILE 9 12.236 -1.442 1.579 72 HD12 ILE 9 HD12 ILE 9 10.965 -2.581 2.024 73 HD13 ILE 9 HD13 ILE 9 10.652 -0.847 2.078 74 H LEU 10 HN LEU 10 6.759 -3.163 -0.856 75 HA LEU 10 HA LEU 10 4.935 -3.767 1.338 76 HB2 LEU 10 HB1 LEU 10 5.091 -1.202 -0.178 77 HB3 LEU 10 HB2 LEU 10 3.545 -1.752 0.442 78 HG LEU 10 HG LEU 10 5.821 -1.658 2.346 79 HD11 LEU 10 HD21 LEU 10 6.067 0.413 1.058 80 HD12 LEU 10 HD22 LEU 10 5.568 0.716 2.723 81 HD13 LEU 10 HD23 LEU 10 4.389 0.822 1.416 82 HD21 LEU 10 HD11 LEU 10 4.059 -0.936 3.873 83 HD22 LEU 10 HD12 LEU 10 3.621 -2.433 3.050 84 HD23 LEU 10 HD13 LEU 10 2.909 -0.904 2.536 85 H GLY 11 HN GLY 11 2.705 -4.121 0.583 86 HA2 GLY 11 HA2 GLY 11 2.677 -5.093 -2.208 87 HA3 GLY 11 HA1 GLY 11 1.841 -5.899 -0.889 88 H ARG 12 HN ARG 12 1.923 -2.425 -1.310 89 HA ARG 12 HA ARG 12 0.293 -0.881 -1.644 90 HB2 ARG 12 HB1 ARG 12 -0.911 -3.068 -3.351 91 HB3 ARG 12 HB2 ARG 12 -1.413 -1.383 -3.363 92 HG2 ARG 12 HG2 ARG 12 0.816 -0.728 -4.136 93 HG3 ARG 12 HG1 ARG 12 1.304 -2.425 -4.141 94 HD2 ARG 12 HD1 ARG 12 -0.411 -2.922 -5.803 95 HD3 ARG 12 HD2 ARG 12 -0.927 -1.236 -5.785 96 HE ARG 12 HE ARG 12 1.820 -1.380 -6.393 97 HH11 ARG 12 HH11 ARG 12 -0.766 -1.828 -9.416 98 HH12 ARG 12 HH12 ARG 12 -1.300 -2.068 -7.786 99 HH21 ARG 12 HH21 ARG 12 2.529 -1.062 -8.536 100 HH22 ARG 12 HH22 ARG 12 1.409 -1.257 -9.843 101 H VAL 13 HN VAL 13 0.048 -3.018 0.486 102 HA VAL 13 HA VAL 13 -2.689 -3.584 0.897 103 HB VAL 13 HB VAL 13 -2.061 -4.111 3.214 104 HG11 VAL 13 HG11 VAL 13 -0.437 -5.879 2.713 105 HG12 VAL 13 HG12 VAL 13 -0.094 -5.116 1.160 106 HG13 VAL 13 HG13 VAL 13 -1.696 -5.779 1.483 107 HG21 VAL 13 HG21 VAL 13 0.274 -3.868 3.939 108 HG22 VAL 13 HG22 VAL 13 -0.485 -2.309 3.618 109 HG23 VAL 13 HG23 VAL 13 0.636 -3.001 2.446 110 H ASN 14 HN ASN 14 -4.188 -2.646 2.322 111 HA ASN 14 HA ASN 14 -3.563 -0.069 3.513 112 HB2 ASN 14 HB1 ASN 14 -4.253 0.518 1.230 113 HB3 ASN 14 HB2 ASN 14 -5.751 -0.380 1.447 114 HD21 ASN 14 HD21 ASN 14 -5.299 3.348 2.973 115 HD22 ASN 14 HD22 ASN 14 -3.972 2.478 2.291 116 H LYS 15 HN LYS 15 -5.068 0.600 5.094 117 HA LYS 15 HA LYS 15 -7.095 -1.405 5.824 118 HB2 LYS 15 HB1 LYS 15 -5.133 -1.679 7.271 119 HB3 LYS 15 HB2 LYS 15 -5.214 0.021 7.716 120 HG2 LYS 15 HG1 LYS 15 -6.137 -1.314 9.483 121 HG3 LYS 15 HG2 LYS 15 -7.429 -0.381 8.724 122 HD2 LYS 15 HD2 LYS 15 -8.088 -2.348 7.427 123 HD3 LYS 15 HD1 LYS 15 -6.793 -3.281 8.181 124 HE2 LYS 15 HE2 LYS 15 -7.825 -2.943 10.372 125 HE3 LYS 15 HE1 LYS 15 -9.116 -2.005 9.622 126 HZ1 LYS 15 HZ1 LYS 15 -8.528 -4.867 9.087 127 HZ2 LYS 15 HZ2 LYS 15 -9.770 -3.966 8.375 128 HZ3 LYS 15 HZ3 LYS 15 -9.801 -4.282 10.036 129 H HIS 16 HN HIS 16 -5.992 1.793 6.962 130 HA HIS 16 HA HIS 16 -8.794 2.695 6.825 131 HB2 HIS 16 HB1 HIS 16 -8.203 4.310 8.612 132 HB3 HIS 16 HB2 HIS 16 -8.005 2.635 9.120 133 HD1 HIS 16 HD1 HIS 16 -5.662 1.856 9.742 134 HD2 HIS 16 HD2 HIS 16 -5.777 5.750 8.293 135 HE1 HIS 16 HE1 HIS 16 -3.389 2.820 10.221 136 HE2 HIS 16 HE2 HIS 16 -3.480 5.176 9.335 137 H SER 17 HN SER 17 -9.204 4.842 6.140 138 HA SER 17 HA SER 17 -7.003 6.336 4.952 139 HB2 SER 17 HB2 SER 17 -9.387 5.395 3.338 140 HB3 SER 17 HB1 SER 17 -8.162 6.533 2.775 141 HG SER 17 HG SER 17 -6.668 4.933 2.760 142 H THR 18 HN THR 18 -9.365 6.433 7.004 143 HA THR 18 HA THR 18 -11.106 8.491 6.244 144 HB THR 18 HB THR 18 -11.563 7.137 8.208 145 HG1 THR 18 HG1 THR 18 -12.415 9.271 8.188 146 HG21 THR 18 HG21 THR 18 -10.287 7.431 10.285 147 HG22 THR 18 HG22 THR 18 -9.165 8.500 9.441 148 HG23 THR 18 HG23 THR 18 -9.272 6.799 8.987 149 H SER 19 HN SER 19 -7.787 8.563 6.934 150 HA SER 19 HA SER 19 -7.529 11.165 8.009 151 HB2 SER 19 HB1 SER 19 -5.712 9.574 8.203 152 HB3 SER 19 HB2 SER 19 -5.574 9.461 6.448 153 HG SER 19 HG SER 19 -4.312 11.126 6.529 154 H ILE 20 HN ILE 20 -7.523 13.118 7.080 155 HA ILE 20 HA ILE 20 -7.733 14.763 5.527 156 HB ILE 20 HB ILE 20 -6.323 12.826 3.686 157 HG12 ILE 20 HG11 ILE 20 -5.173 15.033 5.410 158 HG13 ILE 20 HG12 ILE 20 -5.091 13.318 5.796 159 HG21 ILE 20 HG21 ILE 20 -5.662 14.838 2.447 160 HG22 ILE 20 HG22 ILE 20 -6.647 15.820 3.532 161 HG23 ILE 20 HG23 ILE 20 -7.414 14.632 2.478 162 HD11 ILE 20 HD11 ILE 20 -3.776 12.926 3.780 163 HD12 ILE 20 HD12 ILE 20 -3.007 14.100 4.847 164 HD13 ILE 20 HD13 ILE 20 -3.853 14.647 3.399 165 H GLY 21 HN GLY 21 -9.859 15.010 5.132 166 HA2 GLY 21 HA1 GLY 21 -10.964 13.515 2.845 167 HA3 GLY 21 HA2 GLY 21 -11.886 13.653 4.334 168 H LYS 22 HN LYS 22 -9.945 16.342 3.425 169 HA LYS 22 HA LYS 22 -10.453 18.475 2.828 170 HB2 LYS 22 HB1 LYS 22 -12.548 17.084 1.147 171 HB3 LYS 22 HB2 LYS 22 -12.053 18.762 0.962 172 HG2 LYS 22 HG1 LYS 22 -9.787 18.032 0.403 173 HG3 LYS 22 HG2 LYS 22 -10.289 16.350 0.583 174 HD2 LYS 22 HD2 LYS 22 -11.906 16.636 -1.228 175 HD3 LYS 22 HD1 LYS 22 -11.415 18.322 -1.405 176 HE2 LYS 22 HE2 LYS 22 -10.351 16.922 -3.091 177 HE3 LYS 22 HE1 LYS 22 -9.155 17.608 -1.992 178 HZ1 LYS 22 HZ1 LYS 22 -9.097 15.505 -0.802 179 HZ2 LYS 22 HZ2 LYS 22 -8.711 15.278 -2.433 180 HZ3 LYS 22 HZ3 LYS 22 -10.243 14.846 -1.860 Start of MODEL 15 1 H1 ACE 0 HA1 ACE 0 4.455 2.285 -8.104 2 H2 ACE 0 HA2 ACE 0 3.639 1.799 -6.620 3 H3 ACE 0 HA3 ACE 0 3.525 0.758 -8.037 4 H MET 1 HN MET 1 6.363 2.436 -6.769 5 HA MET 1 HA MET 1 7.776 -0.116 -6.717 6 HB2 MET 1 HB1 MET 1 8.800 2.708 -6.370 7 HB3 MET 1 HB2 MET 1 9.803 1.265 -6.442 8 HG2 MET 1 HG1 MET 1 9.040 0.844 -8.722 9 HG3 MET 1 HG2 MET 1 8.033 2.288 -8.650 10 HE1 MET 1 HE1 MET 1 9.148 3.176 -10.890 11 HE2 MET 1 HE2 MET 1 10.166 1.738 -10.965 12 HE3 MET 1 HE3 MET 1 10.889 3.339 -11.120 13 H ASP 2 HN ASP 2 9.644 0.091 -4.854 14 HA ASP 2 HA ASP 2 8.462 0.881 -2.317 15 HB2 ASP 2 HB1 ASP 2 9.234 -1.983 -2.910 16 HB3 ASP 2 HB2 ASP 2 8.827 -1.359 -1.315 17 H TRP 3 HN TRP 3 9.981 1.490 -0.852 18 HA TRP 3 HA TRP 3 12.024 2.038 0.009 19 HB2 TRP 3 HB2 TRP 3 12.342 -0.386 0.201 20 HB3 TRP 3 HB1 TRP 3 12.893 -0.449 -1.466 21 HD1 TRP 3 HD1 TRP 3 15.456 -0.711 -1.583 22 HE1 TRP 3 HE1 TRP 3 17.457 0.107 -0.179 23 HE3 TRP 3 HE3 TRP 3 12.915 1.865 1.923 24 HZ2 TRP 3 HZ2 TRP 3 17.879 1.671 2.152 25 HZ3 TRP 3 HZ3 TRP 3 14.148 3.015 3.735 26 HH2 TRP 3 HH2 TRP 3 16.589 2.915 3.838 27 H GLY 4 HN GLY 4 14.256 2.741 -0.615 28 HA2 GLY 4 HA1 GLY 4 14.277 4.449 -2.776 29 HA3 GLY 4 HA2 GLY 4 15.721 3.792 -2.010 30 H THR 5 HN THR 5 15.038 1.062 -2.604 31 HA THR 5 HA THR 5 14.684 0.622 -5.384 32 HB THR 5 HB THR 5 17.514 0.246 -4.359 33 HG1 THR 5 HG1 THR 5 17.020 2.447 -4.843 34 HG21 THR 5 HG21 THR 5 16.842 -1.466 -5.962 35 HG22 THR 5 HG22 THR 5 18.019 -0.368 -6.684 36 HG23 THR 5 HG23 THR 5 16.308 -0.218 -7.088 37 H LEU 6 HN LEU 6 13.167 -0.720 -4.159 38 HA LEU 6 HA LEU 6 14.191 -3.400 -3.745 39 HB2 LEU 6 HB1 LEU 6 14.326 -1.945 -1.576 40 HB3 LEU 6 HB2 LEU 6 12.595 -2.192 -1.518 41 HG LEU 6 HG LEU 6 13.819 -4.739 -1.845 42 HD11 LEU 6 HD21 LEU 6 15.889 -3.784 -1.036 43 HD12 LEU 6 HD22 LEU 6 15.174 -4.780 0.232 44 HD13 LEU 6 HD23 LEU 6 15.045 -3.020 0.313 45 HD21 LEU 6 HD11 LEU 6 12.473 -3.371 0.484 46 HD22 LEU 6 HD12 LEU 6 12.797 -5.103 0.382 47 HD23 LEU 6 HD13 LEU 6 11.690 -4.344 -0.763 48 H GLN 7 HN GLN 7 12.021 -4.530 -2.510 49 HA GLN 7 HA GLN 7 9.632 -3.607 -3.851 50 HB2 GLN 7 HB1 GLN 7 10.118 -5.053 -5.555 51 HB3 GLN 7 HB2 GLN 7 11.134 -6.070 -4.543 52 HG2 GLN 7 HG1 GLN 7 9.289 -7.382 -5.165 53 HG3 GLN 7 HG2 GLN 7 9.037 -6.927 -3.479 54 HE21 GLN 7 HE21 GLN 7 7.342 -5.597 -2.942 55 HE22 GLN 7 HE22 GLN 7 6.096 -5.158 -4.054 56 H THR 8 HN THR 8 10.866 -6.410 -1.986 57 HA THR 8 HA THR 8 8.447 -6.835 -0.621 58 HB THR 8 HB THR 8 9.975 -8.646 -0.584 59 HG1 THR 8 HG1 THR 8 8.922 -7.806 1.570 60 HG21 THR 8 HG21 THR 8 12.218 -8.507 0.406 61 HG22 THR 8 HG22 THR 8 11.976 -6.785 0.704 62 HG23 THR 8 HG23 THR 8 12.039 -7.393 -0.951 63 H ILE 9 HN ILE 9 7.643 -4.959 0.094 64 HA ILE 9 HA ILE 9 8.677 -3.975 2.595 65 HB ILE 9 HB ILE 9 8.919 -2.570 0.041 66 HG12 ILE 9 HG12 ILE 9 10.831 -3.246 1.426 67 HG13 ILE 9 HG11 ILE 9 10.804 -1.507 1.153 68 HG21 ILE 9 HG21 ILE 9 7.901 -1.107 2.473 69 HG22 ILE 9 HG22 ILE 9 7.131 -1.227 0.890 70 HG23 ILE 9 HG23 ILE 9 8.631 -0.320 1.074 71 HD11 ILE 9 HD11 ILE 9 9.910 -2.910 3.661 72 HD12 ILE 9 HD12 ILE 9 9.894 -1.168 3.389 73 HD13 ILE 9 HD13 ILE 9 11.427 -2.038 3.439 74 H LEU 10 HN LEU 10 6.339 -3.621 0.011 75 HA LEU 10 HA LEU 10 4.148 -3.694 1.864 76 HB2 LEU 10 HB2 LEU 10 4.448 -1.412 2.117 77 HB3 LEU 10 HB1 LEU 10 4.949 -1.204 0.450 78 HG LEU 10 HG LEU 10 2.227 -2.143 0.559 79 HD11 LEU 10 HD11 LEU 10 1.197 -0.239 1.630 80 HD12 LEU 10 HD12 LEU 10 2.783 0.430 2.022 81 HD13 LEU 10 HD13 LEU 10 2.251 -1.076 2.771 82 HD21 LEU 10 HD21 LEU 10 3.442 -0.984 -1.297 83 HD22 LEU 10 HD22 LEU 10 3.322 0.505 -0.356 84 HD23 LEU 10 HD23 LEU 10 1.858 -0.310 -0.909 85 H GLY 11 HN GLY 11 5.238 -3.118 -1.388 86 HA2 GLY 11 HA1 GLY 11 4.578 -4.127 -3.367 87 HA3 GLY 11 HA2 GLY 11 3.418 -5.072 -2.446 88 H ARG 12 HN ARG 12 1.428 -3.984 -1.774 89 HA ARG 12 HA ARG 12 0.663 -1.490 -2.881 90 HB2 ARG 12 HB2 ARG 12 0.739 -3.024 -4.918 91 HB3 ARG 12 HB1 ARG 12 -0.633 -3.866 -4.213 92 HG2 ARG 12 HG1 ARG 12 -1.949 -1.819 -4.289 93 HG3 ARG 12 HG2 ARG 12 -0.568 -0.950 -4.962 94 HD2 ARG 12 HD1 ARG 12 -1.979 -3.286 -6.243 95 HD3 ARG 12 HD2 ARG 12 -2.164 -1.593 -6.701 96 HE ARG 12 HE ARG 12 0.558 -2.385 -6.809 97 HH11 ARG 12 HH11 ARG 12 -1.720 -2.864 -10.066 98 HH12 ARG 12 HH12 ARG 12 -2.466 -2.651 -8.517 99 HH21 ARG 12 HH21 ARG 12 0.562 -2.871 -10.252 100 HH22 ARG 12 HH22 ARG 12 1.549 -2.664 -8.844 101 H VAL 13 HN VAL 13 0.530 -3.246 -0.447 102 HA VAL 13 HA VAL 13 -2.250 -3.811 -0.018 103 HB VAL 13 HB VAL 13 -1.603 -4.304 2.295 104 HG11 VAL 13 HG11 VAL 13 -1.328 -6.041 0.623 105 HG12 VAL 13 HG12 VAL 13 -0.040 -6.144 1.822 106 HG13 VAL 13 HG13 VAL 13 0.285 -5.443 0.236 107 HG21 VAL 13 HG21 VAL 13 1.129 -3.330 1.465 108 HG22 VAL 13 HG22 VAL 13 0.746 -4.131 2.989 109 HG23 VAL 13 HG23 VAL 13 0.049 -2.552 2.622 110 H ASN 14 HN ASN 14 -3.257 -2.913 2.092 111 HA ASN 14 HA ASN 14 -3.099 0.012 1.930 112 HB2 ASN 14 HB1 ASN 14 -5.332 0.001 2.973 113 HB3 ASN 14 HB2 ASN 14 -5.303 -0.947 1.489 114 HD21 ASN 14 HD21 ASN 14 -5.466 -3.183 1.600 115 HD22 ASN 14 HD22 ASN 14 -6.025 -3.992 3.020 116 H LYS 15 HN LYS 15 -4.019 0.934 4.207 117 HA LYS 15 HA LYS 15 -2.550 -0.342 6.395 118 HB2 LYS 15 HB2 LYS 15 -1.541 1.772 7.071 119 HB3 LYS 15 HB1 LYS 15 -1.042 1.344 5.442 120 HG2 LYS 15 HG2 LYS 15 -3.321 3.225 5.951 121 HG3 LYS 15 HG1 LYS 15 -1.646 3.775 5.895 122 HD2 LYS 15 HD1 LYS 15 -1.430 2.842 3.631 123 HD3 LYS 15 HD2 LYS 15 -3.122 2.341 3.689 124 HE2 LYS 15 HE2 LYS 15 -2.119 5.177 3.891 125 HE3 LYS 15 HE1 LYS 15 -2.835 4.440 2.458 126 HZ1 LYS 15 HZ1 LYS 15 -4.206 4.820 5.065 127 HZ2 LYS 15 HZ2 LYS 15 -4.891 4.133 3.681 128 HZ3 LYS 15 HZ3 LYS 15 -4.445 5.764 3.681 129 H HIS 16 HN HIS 16 -2.977 1.065 8.488 130 HA HIS 16 HA HIS 16 -5.758 0.896 8.986 131 HB2 HIS 16 HB2 HIS 16 -3.575 2.198 10.629 132 HB3 HIS 16 HB1 HIS 16 -5.200 1.837 11.203 133 HD1 HIS 16 HD1 HIS 16 -1.872 0.365 10.783 134 HD2 HIS 16 HD2 HIS 16 -5.749 -1.001 11.395 135 HE1 HIS 16 HE1 HIS 16 -1.632 -2.023 11.534 136 HE2 HIS 16 HE2 HIS 16 -3.991 -2.830 11.900 137 H SER 17 HN SER 17 -3.669 3.772 9.297 138 HA SER 17 HA SER 17 -4.075 5.989 8.994 139 HB2 SER 17 HB1 SER 17 -4.353 5.267 6.645 140 HB3 SER 17 HB2 SER 17 -6.071 4.999 6.942 141 HG SER 17 HG SER 17 -5.673 7.046 6.004 142 H THR 18 HN THR 18 -5.768 4.342 10.865 143 HA THR 18 HA THR 18 -8.395 5.288 10.957 144 HB THR 18 HB THR 18 -7.692 3.420 12.341 145 HG1 THR 18 HG1 THR 18 -9.166 5.441 13.166 146 HG21 THR 18 HG21 THR 18 -5.418 4.164 12.855 147 HG22 THR 18 HG22 THR 18 -6.297 3.754 14.329 148 HG23 THR 18 HG23 THR 18 -6.063 5.444 13.882 149 H SER 19 HN SER 19 -5.460 6.910 11.534 150 HA SER 19 HA SER 19 -6.260 8.827 13.435 151 HB2 SER 19 HB1 SER 19 -3.913 8.491 12.935 152 HB3 SER 19 HB2 SER 19 -4.165 8.965 11.255 153 HG SER 19 HG SER 19 -3.567 10.839 12.056 154 H ILE 20 HN ILE 20 -7.667 10.437 13.272 155 HA ILE 20 HA ILE 20 -8.101 11.703 10.662 156 HB ILE 20 HB ILE 20 -9.925 10.111 10.939 157 HG12 ILE 20 HG12 ILE 20 -11.838 11.709 10.817 158 HG13 ILE 20 HG11 ILE 20 -10.758 12.989 11.358 159 HG21 ILE 20 HG21 ILE 20 -10.505 11.563 13.515 160 HG22 ILE 20 HG22 ILE 20 -9.901 9.914 13.360 161 HG23 ILE 20 HG23 ILE 20 -11.518 10.317 12.787 162 HD11 ILE 20 HD11 ILE 20 -11.079 13.047 8.952 163 HD12 ILE 20 HD12 ILE 20 -10.464 11.400 8.822 164 HD13 ILE 20 HD13 ILE 20 -9.400 12.699 9.361 165 H GLY 21 HN GLY 21 -8.477 13.883 10.719 166 HA2 GLY 21 HA1 GLY 21 -9.103 15.223 13.207 167 HA3 GLY 21 HA2 GLY 21 -7.463 15.495 12.634 168 H LYS 22 HN LYS 22 -9.684 14.989 10.126 169 HA LYS 22 HA LYS 22 -9.511 17.796 9.379 170 HB2 LYS 22 HB1 LYS 22 -8.996 16.078 7.700 171 HB3 LYS 22 HB2 LYS 22 -10.617 15.419 7.870 172 HG2 LYS 22 HG1 LYS 22 -10.501 16.757 5.879 173 HG3 LYS 22 HG2 LYS 22 -11.539 17.559 7.059 174 HD2 LYS 22 HD1 LYS 22 -10.121 19.206 6.035 175 HD3 LYS 22 HD2 LYS 22 -9.613 18.985 7.710 176 HE2 LYS 22 HE2 LYS 22 -7.799 17.523 6.971 177 HE3 LYS 22 HE1 LYS 22 -8.311 17.731 5.296 178 HZ1 LYS 22 HZ1 LYS 22 -6.457 19.175 5.839 179 HZ2 LYS 22 HZ2 LYS 22 -7.343 19.893 7.088 180 HZ3 LYS 22 HZ3 LYS 22 -7.833 20.092 5.481 Start of MODEL 16 1 H1 ACE 0 HA1 ACE 0 7.334 1.993 -9.553 2 H2 ACE 0 HA2 ACE 0 8.330 2.624 -10.863 3 H3 ACE 0 HA3 ACE 0 7.858 3.705 -9.554 4 H MET 1 HN MET 1 8.880 3.585 -7.580 5 HA MET 1 HA MET 1 11.061 1.665 -7.278 6 HB2 MET 1 HB2 MET 1 12.653 3.447 -6.670 7 HB3 MET 1 HB1 MET 1 12.119 3.579 -8.340 8 HG2 MET 1 HG2 MET 1 10.554 5.343 -7.703 9 HG3 MET 1 HG1 MET 1 11.091 5.211 -6.029 10 HE1 MET 1 HE1 MET 1 13.784 6.654 -9.488 11 HE2 MET 1 HE2 MET 1 12.088 6.213 -9.688 12 HE3 MET 1 HE3 MET 1 13.281 4.975 -9.297 13 H ASP 2 HN ASP 2 11.762 1.367 -5.126 14 HA ASP 2 HA ASP 2 10.373 2.802 -3.008 15 HB2 ASP 2 HB1 ASP 2 10.131 -0.194 -3.355 16 HB3 ASP 2 HB2 ASP 2 9.599 0.705 -1.936 17 H TRP 3 HN TRP 3 11.309 2.450 -0.907 18 HA TRP 3 HA TRP 3 13.041 2.177 0.551 19 HB2 TRP 3 HB2 TRP 3 12.988 -0.164 0.335 20 HB3 TRP 3 HB1 TRP 3 13.558 -0.114 -1.329 21 HD1 TRP 3 HD1 TRP 3 15.949 -1.077 -1.469 22 HE1 TRP 3 HE1 TRP 3 18.056 -1.006 0.013 23 HE3 TRP 3 HE3 TRP 3 14.106 1.675 2.336 24 HZ2 TRP 3 HZ2 TRP 3 18.825 0.105 2.508 25 HZ3 TRP 3 HZ3 TRP 3 15.559 2.228 4.262 26 HH2 TRP 3 HH2 TRP 3 17.878 1.453 4.337 27 H GLY 4 HN GLY 4 14.716 1.189 -2.343 28 HA2 GLY 4 HA1 GLY 4 15.978 3.576 -3.037 29 HA3 GLY 4 HA2 GLY 4 17.003 2.727 -1.874 30 H THR 5 HN THR 5 16.024 0.148 -2.687 31 HA THR 5 HA THR 5 16.564 -0.292 -5.465 32 HB THR 5 HB THR 5 18.490 -1.593 -3.535 33 HG1 THR 5 HG1 THR 5 19.004 0.705 -5.144 34 HG21 THR 5 HG21 THR 5 18.516 -1.205 -6.531 35 HG22 THR 5 HG22 THR 5 18.193 -2.713 -5.676 36 HG23 THR 5 HG23 THR 5 19.793 -1.979 -5.594 37 H LEU 6 HN LEU 6 14.674 -0.767 -3.146 38 HA LEU 6 HA LEU 6 14.455 -3.705 -3.253 39 HB2 LEU 6 HB1 LEU 6 14.633 -2.339 -1.035 40 HB3 LEU 6 HB2 LEU 6 12.957 -1.933 -1.352 41 HG LEU 6 HG LEU 6 13.219 -4.758 -1.569 42 HD11 LEU 6 HD21 LEU 6 15.260 -4.587 -0.269 43 HD12 LEU 6 HD22 LEU 6 13.973 -5.275 0.720 44 HD13 LEU 6 HD23 LEU 6 14.440 -3.586 0.930 45 HD21 LEU 6 HD11 LEU 6 11.188 -3.607 -0.960 46 HD22 LEU 6 HD12 LEU 6 11.955 -2.948 0.485 47 HD23 LEU 6 HD13 LEU 6 11.662 -4.683 0.354 48 H GLN 7 HN GLN 7 11.973 -4.271 -2.805 49 HA GLN 7 HA GLN 7 10.191 -2.516 -4.251 50 HB2 GLN 7 HB2 GLN 7 10.944 -5.256 -5.249 51 HB3 GLN 7 HB1 GLN 7 9.414 -4.507 -5.683 52 HG2 GLN 7 HG2 GLN 7 12.015 -3.102 -6.151 53 HG3 GLN 7 HG1 GLN 7 11.393 -4.290 -7.293 54 HE21 GLN 7 HE21 GLN 7 8.777 -1.222 -6.774 55 HE22 GLN 7 HE22 GLN 7 9.300 -2.188 -5.444 56 H THR 8 HN THR 8 10.725 -5.281 -2.206 57 HA THR 8 HA THR 8 7.916 -5.751 -1.800 58 HB THR 8 HB THR 8 8.559 -7.424 -0.173 59 HG1 THR 8 HG1 THR 8 10.629 -5.835 0.135 60 HG21 THR 8 HG21 THR 8 10.435 -7.477 -2.543 61 HG22 THR 8 HG22 THR 8 8.773 -8.066 -2.531 62 HG23 THR 8 HG23 THR 8 9.998 -8.862 -1.543 63 H ILE 9 HN ILE 9 8.445 -3.190 -1.408 64 HA ILE 9 HA ILE 9 8.744 -2.580 1.387 65 HB ILE 9 HB ILE 9 8.642 -1.161 -1.167 66 HG12 ILE 9 HG12 ILE 9 10.727 -1.512 0.068 67 HG13 ILE 9 HG11 ILE 9 10.388 0.206 -0.112 68 HG21 ILE 9 HG21 ILE 9 7.566 0.157 1.323 69 HG22 ILE 9 HG22 ILE 9 6.729 -0.085 -0.211 70 HG23 ILE 9 HG23 ILE 9 8.091 1.031 -0.117 71 HD11 ILE 9 HD11 ILE 9 9.910 -1.433 2.366 72 HD12 ILE 9 HD12 ILE 9 9.575 0.289 2.185 73 HD13 ILE 9 HD13 ILE 9 11.235 -0.300 2.103 74 H LEU 10 HN LEU 10 6.234 -2.497 -1.057 75 HA LEU 10 HA LEU 10 4.169 -2.916 0.901 76 HB2 LEU 10 HB2 LEU 10 4.182 -0.628 1.246 77 HB3 LEU 10 HB1 LEU 10 4.587 -0.275 -0.422 78 HG LEU 10 HG LEU 10 2.010 -1.556 -0.276 79 HD11 LEU 10 HD11 LEU 10 1.992 -0.611 1.993 80 HD12 LEU 10 HD12 LEU 10 0.794 0.140 0.936 81 HD13 LEU 10 HD13 LEU 10 2.296 0.987 1.311 82 HD21 LEU 10 HD21 LEU 10 1.356 0.285 -1.625 83 HD22 LEU 10 HD22 LEU 10 3.000 -0.154 -2.100 84 HD23 LEU 10 HD23 LEU 10 2.724 1.253 -1.074 85 H GLY 11 HN GLY 11 2.378 -3.849 0.010 86 HA2 GLY 11 HA2 GLY 11 2.211 -3.909 -2.933 87 HA3 GLY 11 HA1 GLY 11 2.125 -5.398 -2.003 88 H ARG 12 HN ARG 12 0.651 -2.213 -1.446 89 HA ARG 12 HA ARG 12 -1.501 -1.577 -1.085 90 HB2 ARG 12 HB1 ARG 12 -2.084 -3.854 -2.988 91 HB3 ARG 12 HB2 ARG 12 -3.229 -2.601 -2.527 92 HG2 ARG 12 HG2 ARG 12 -1.794 -0.908 -3.539 93 HG3 ARG 12 HG1 ARG 12 -0.636 -2.159 -3.994 94 HD2 ARG 12 HD1 ARG 12 -3.498 -1.980 -4.930 95 HD3 ARG 12 HD2 ARG 12 -2.077 -1.531 -5.873 96 HE ARG 12 HE ARG 12 -1.837 -4.198 -4.990 97 HH11 ARG 12 HH11 ARG 12 -3.861 -3.533 -8.380 98 HH12 ARG 12 HH12 ARG 12 -3.609 -2.236 -7.259 99 HH21 ARG 12 HH21 ARG 12 -2.163 -5.911 -6.460 100 HH22 ARG 12 HH22 ARG 12 -3.039 -5.621 -7.926 101 H VAL 13 HN VAL 13 -0.242 -3.809 0.518 102 HA VAL 13 HA VAL 13 -2.541 -5.364 1.376 103 HB VAL 13 HB VAL 13 -0.942 -6.390 2.991 104 HG11 VAL 13 HG21 VAL 13 -1.323 -7.407 0.816 105 HG12 VAL 13 HG22 VAL 13 0.362 -7.601 1.300 106 HG13 VAL 13 HG23 VAL 13 -0.077 -6.384 0.101 107 HG21 VAL 13 HG11 VAL 13 0.560 -4.492 3.275 108 HG22 VAL 13 HG12 VAL 13 1.076 -4.636 1.596 109 HG23 VAL 13 HG13 VAL 13 1.449 -5.920 2.746 110 H ASN 14 HN ASN 14 -1.280 -2.353 2.056 111 HA ASN 14 HA ASN 14 -2.581 -2.329 4.699 112 HB2 ASN 14 HB1 ASN 14 -0.154 -2.142 4.971 113 HB3 ASN 14 HB2 ASN 14 -0.124 -0.777 3.859 114 HD21 ASN 14 HD21 ASN 14 -1.248 -0.308 7.726 115 HD22 ASN 14 HD22 ASN 14 -1.010 -1.872 7.033 116 H LYS 15 HN LYS 15 -4.043 -0.750 5.062 117 HA LYS 15 HA LYS 15 -4.143 1.582 3.326 118 HB2 LYS 15 HB1 LYS 15 -5.488 -0.086 2.131 119 HB3 LYS 15 HB2 LYS 15 -6.464 -0.340 3.570 120 HG2 LYS 15 HG1 LYS 15 -7.267 1.955 3.449 121 HG3 LYS 15 HG2 LYS 15 -6.265 2.236 2.024 122 HD2 LYS 15 HD1 LYS 15 -7.506 0.514 0.808 123 HD3 LYS 15 HD2 LYS 15 -8.505 0.224 2.234 124 HE2 LYS 15 HE1 LYS 15 -8.322 2.819 0.709 125 HE3 LYS 15 HE2 LYS 15 -9.642 1.655 0.603 126 HZ1 LYS 15 HZ1 LYS 15 -10.192 3.478 2.083 127 HZ2 LYS 15 HZ2 LYS 15 -8.843 3.143 3.046 128 HZ3 LYS 15 HZ3 LYS 15 -10.108 2.024 2.945 129 H HIS 16 HN HIS 16 -3.970 3.060 4.901 130 HA HIS 16 HA HIS 16 -4.494 4.370 6.681 131 HB2 HIS 16 HB2 HIS 16 -7.189 3.026 6.396 132 HB3 HIS 16 HB1 HIS 16 -6.870 4.436 7.400 133 HD1 HIS 16 HD1 HIS 16 -7.757 3.450 4.001 134 HD2 HIS 16 HD2 HIS 16 -6.104 6.783 5.852 135 HE1 HIS 16 HE1 HIS 16 -7.981 5.324 2.338 136 HE2 HIS 16 HE2 HIS 16 -6.974 7.332 3.479 137 H SER 17 HN SER 17 -3.339 3.818 8.412 138 HA SER 17 HA SER 17 -3.791 1.332 9.811 139 HB2 SER 17 HB1 SER 17 -1.914 2.064 11.241 140 HB3 SER 17 HB2 SER 17 -1.503 2.157 9.528 141 HG SER 17 HG SER 17 -2.584 4.476 10.287 142 H THR 18 HN THR 18 -5.627 3.888 9.764 143 HA THR 18 HA THR 18 -5.845 4.844 12.388 144 HB THR 18 HB THR 18 -8.108 4.541 10.402 145 HG1 THR 18 HG1 THR 18 -6.568 6.886 10.727 146 HG21 THR 18 HG21 THR 18 -9.037 6.501 11.560 147 HG22 THR 18 HG22 THR 18 -7.691 6.461 12.698 148 HG23 THR 18 HG23 THR 18 -8.848 5.131 12.653 149 H SER 19 HN SER 19 -6.647 1.813 11.049 150 HA SER 19 HA SER 19 -8.814 0.961 12.543 151 HB2 SER 19 HB2 SER 19 -6.400 -0.617 11.624 152 HB3 SER 19 HB1 SER 19 -7.892 -1.338 12.229 153 HG SER 19 HG SER 19 -7.515 -0.925 9.812 154 H ILE 20 HN ILE 20 -9.137 0.265 14.584 155 HA ILE 20 HA ILE 20 -6.825 0.357 16.407 156 HB ILE 20 HB ILE 20 -8.657 0.698 18.190 157 HG12 ILE 20 HG12 ILE 20 -10.610 2.024 17.197 158 HG13 ILE 20 HG11 ILE 20 -10.161 1.317 15.649 159 HG21 ILE 20 HG21 ILE 20 -8.021 2.867 16.196 160 HG22 ILE 20 HG22 ILE 20 -7.035 2.394 17.580 161 HG23 ILE 20 HG23 ILE 20 -8.620 3.125 17.835 162 HD11 ILE 20 HD11 ILE 20 -11.988 0.113 16.737 163 HD12 ILE 20 HD12 ILE 20 -10.932 -0.238 18.105 164 HD13 ILE 20 HD13 ILE 20 -10.564 -0.902 16.514 165 H GLY 21 HN GLY 21 -8.593 -1.824 14.834 166 HA2 GLY 21 HA1 GLY 21 -9.447 -3.598 16.890 167 HA3 GLY 21 HA2 GLY 21 -9.225 -4.007 15.195 168 H LYS 22 HN LYS 22 -6.362 -2.767 15.861 169 HA LYS 22 HA LYS 22 -5.068 -5.288 16.051 170 HB2 LYS 22 HB1 LYS 22 -3.940 -2.503 16.384 171 HB3 LYS 22 HB2 LYS 22 -2.988 -3.968 16.179 172 HG2 LYS 22 HG2 LYS 22 -3.947 -4.293 13.963 173 HG3 LYS 22 HG1 LYS 22 -4.925 -2.839 14.168 174 HD2 LYS 22 HD2 LYS 22 -3.000 -2.281 12.848 175 HD3 LYS 22 HD1 LYS 22 -2.825 -1.534 14.437 176 HE2 LYS 22 HE1 LYS 22 -0.723 -2.523 13.700 177 HE3 LYS 22 HE2 LYS 22 -1.342 -3.345 15.133 178 HZ1 LYS 22 HZ1 LYS 22 -1.588 -4.315 12.336 179 HZ2 LYS 22 HZ2 LYS 22 -2.200 -5.100 13.705 180 HZ3 LYS 22 HZ3 LYS 22 -0.529 -4.925 13.508 Start of MODEL 17 1 H1 ACE 0 HA1 ACE 0 4.053 -4.163 -4.663 2 H2 ACE 0 HA2 ACE 0 4.165 -4.349 -6.412 3 H3 ACE 0 HA3 ACE 0 3.347 -2.933 -5.755 4 H MET 1 HN MET 1 4.515 -1.199 -6.125 5 HA MET 1 HA MET 1 7.408 -1.350 -6.249 6 HB2 MET 1 HB2 MET 1 6.181 -0.022 -7.910 7 HB3 MET 1 HB1 MET 1 5.539 0.997 -6.629 8 HG2 MET 1 HG1 MET 1 7.373 2.090 -7.772 9 HG3 MET 1 HG2 MET 1 7.790 1.756 -6.092 10 HE1 MET 1 HE1 MET 1 7.704 -0.786 -9.112 11 HE2 MET 1 HE2 MET 1 9.371 -0.677 -9.682 12 HE3 MET 1 HE3 MET 1 8.294 0.712 -9.830 13 H ASP 2 HN ASP 2 8.817 -0.575 -4.771 14 HA ASP 2 HA ASP 2 8.083 1.267 -2.717 15 HB2 ASP 2 HB2 ASP 2 8.485 -0.276 -0.803 16 HB3 ASP 2 HB1 ASP 2 7.033 -0.671 -1.718 17 H TRP 3 HN TRP 3 9.930 1.497 -1.091 18 HA TRP 3 HA TRP 3 12.123 1.954 -0.683 19 HB2 TRP 3 HB2 TRP 3 12.660 -0.344 -0.601 20 HB3 TRP 3 HB1 TRP 3 12.410 -0.553 -2.332 21 HD1 TRP 3 HD1 TRP 3 14.679 -0.981 -3.490 22 HE1 TRP 3 HE1 TRP 3 17.085 -0.101 -3.219 23 HE3 TRP 3 HE3 TRP 3 13.915 2.125 0.408 24 HZ2 TRP 3 HZ2 TRP 3 18.475 1.712 -1.535 25 HZ3 TRP 3 HZ3 TRP 3 15.808 3.424 1.329 26 HH2 TRP 3 HH2 TRP 3 18.047 3.216 0.365 27 H GLY 4 HN GLY 4 12.553 0.658 -3.886 28 HA2 GLY 4 HA1 GLY 4 12.589 3.001 -5.391 29 HA3 GLY 4 HA2 GLY 4 14.222 2.714 -4.780 30 H THR 5 HN THR 5 13.833 -0.141 -4.699 31 HA THR 5 HA THR 5 13.201 -1.165 -7.286 32 HB THR 5 HB THR 5 16.112 -1.401 -6.518 33 HG1 THR 5 HG1 THR 5 15.005 0.460 -8.375 34 HG21 THR 5 HG21 THR 5 16.363 -1.983 -8.901 35 HG22 THR 5 HG22 THR 5 14.621 -1.806 -9.114 36 HG23 THR 5 HG23 THR 5 15.257 -3.074 -8.067 37 H LEU 6 HN LEU 6 12.835 -1.472 -4.304 38 HA LEU 6 HA LEU 6 13.687 -4.272 -3.957 39 HB2 LEU 6 HB1 LEU 6 14.246 -2.320 -2.295 40 HB3 LEU 6 HB2 LEU 6 12.598 -2.558 -1.753 41 HG LEU 6 HG LEU 6 13.816 -5.109 -1.788 42 HD11 LEU 6 HD21 LEU 6 15.990 -4.036 -1.863 43 HD12 LEU 6 HD22 LEU 6 15.719 -4.737 -0.267 44 HD13 LEU 6 HD23 LEU 6 15.548 -2.997 -0.508 45 HD21 LEU 6 HD11 LEU 6 12.073 -4.402 -0.264 46 HD22 LEU 6 HD12 LEU 6 13.157 -3.215 0.463 47 HD23 LEU 6 HD13 LEU 6 13.484 -4.938 0.649 48 H GLN 7 HN GLN 7 11.953 -5.046 -1.991 49 HA GLN 7 HA GLN 7 9.264 -4.515 -2.908 50 HB2 GLN 7 HB1 GLN 7 9.440 -6.368 -4.239 51 HB3 GLN 7 HB2 GLN 7 10.728 -7.068 -3.272 52 HG2 GLN 7 HG1 GLN 7 8.880 -8.506 -3.071 53 HG3 GLN 7 HG2 GLN 7 9.003 -7.621 -1.550 54 HE21 GLN 7 HE21 GLN 7 5.895 -6.079 -1.818 55 HE22 GLN 7 HE22 GLN 7 7.393 -6.210 -0.968 56 H THR 8 HN THR 8 11.070 -6.713 -0.726 57 HA THR 8 HA THR 8 9.058 -6.738 1.239 58 HB THR 8 HB THR 8 10.647 -8.491 1.385 59 HG1 THR 8 HG1 THR 8 10.008 -7.318 3.431 60 HG21 THR 8 HG21 THR 8 12.495 -7.381 0.217 61 HG22 THR 8 HG22 THR 8 13.045 -8.134 1.715 62 HG23 THR 8 HG23 THR 8 12.802 -6.389 1.643 63 H ILE 9 HN ILE 9 8.348 -4.726 1.583 64 HA ILE 9 HA ILE 9 9.874 -3.114 3.423 65 HB ILE 9 HB ILE 9 9.427 -2.447 0.602 66 HG12 ILE 9 HG12 ILE 9 11.653 -2.787 1.580 67 HG13 ILE 9 HG11 ILE 9 11.483 -1.178 0.888 68 HG21 ILE 9 HG21 ILE 9 8.984 -0.379 2.749 69 HG22 ILE 9 HG22 ILE 9 7.856 -0.881 1.488 70 HG23 ILE 9 HG23 ILE 9 9.321 0.004 1.060 71 HD11 ILE 9 HD11 ILE 9 11.146 -0.255 3.122 72 HD12 ILE 9 HD12 ILE 9 12.683 -1.110 2.995 73 HD13 ILE 9 HD13 ILE 9 11.318 -1.868 3.813 74 H LEU 10 HN LEU 10 6.980 -3.609 1.540 75 HA LEU 10 HA LEU 10 4.768 -3.330 1.960 76 HB2 LEU 10 HB1 LEU 10 5.925 -4.073 4.377 77 HB3 LEU 10 HB2 LEU 10 4.923 -2.706 4.768 78 HG LEU 10 HG LEU 10 3.738 -4.840 5.084 79 HD11 LEU 10 HD11 LEU 10 1.717 -4.257 3.843 80 HD12 LEU 10 HD12 LEU 10 2.652 -3.158 2.831 81 HD13 LEU 10 HD13 LEU 10 2.469 -2.829 4.553 82 HD21 LEU 10 HD21 LEU 10 4.060 -5.151 2.104 83 HD22 LEU 10 HD22 LEU 10 3.108 -6.191 3.162 84 HD23 LEU 10 HD23 LEU 10 4.861 -6.127 3.335 85 H GLY 11 HN GLY 11 4.256 -1.440 0.977 86 HA2 GLY 11 HA2 GLY 11 4.785 0.976 2.536 87 HA3 GLY 11 HA1 GLY 11 4.538 0.958 0.793 88 H ARG 12 HN ARG 12 2.493 -0.998 2.742 89 HA ARG 12 HA ARG 12 0.264 -0.976 3.161 90 HB2 ARG 12 HB1 ARG 12 0.856 1.968 3.478 91 HB3 ARG 12 HB2 ARG 12 -0.711 1.260 3.839 92 HG2 ARG 12 HG1 ARG 12 0.407 1.432 5.896 93 HG3 ARG 12 HG2 ARG 12 0.494 -0.273 5.449 94 HD2 ARG 12 HD1 ARG 12 2.766 0.050 4.625 95 HD3 ARG 12 HD2 ARG 12 2.681 1.763 5.033 96 HE ARG 12 HE ARG 12 2.132 0.251 7.332 97 HH11 ARG 12 HH11 ARG 12 5.990 0.795 6.407 98 HH12 ARG 12 HH12 ARG 12 4.776 0.999 5.190 99 HH21 ARG 12 HH21 ARG 12 3.724 -0.022 8.942 100 HH22 ARG 12 HH22 ARG 12 5.392 0.214 8.541 101 H VAL 13 HN VAL 13 1.323 -0.504 0.378 102 HA VAL 13 HA VAL 13 -0.780 1.050 -0.879 103 HB VAL 13 HB VAL 13 0.350 0.502 -2.996 104 HG11 VAL 13 HG11 VAL 13 1.064 2.458 -1.732 105 HG12 VAL 13 HG12 VAL 13 2.432 1.718 -2.565 106 HG13 VAL 13 HG13 VAL 13 2.216 1.470 -0.832 107 HG21 VAL 13 HG21 VAL 13 1.137 -1.731 -2.455 108 HG22 VAL 13 HG22 VAL 13 2.244 -1.070 -1.252 109 HG23 VAL 13 HG23 VAL 13 2.485 -0.714 -2.963 110 H ASN 14 HN ASN 14 -0.600 -1.995 0.329 111 HA ASN 14 HA ASN 14 -2.194 -3.233 -1.795 112 HB2 ASN 14 HB2 ASN 14 -1.856 -5.333 -0.546 113 HB3 ASN 14 HB1 ASN 14 -0.326 -4.556 -0.943 114 HD21 ASN 14 HD21 ASN 14 -2.550 -5.387 1.585 115 HD22 ASN 14 HD22 ASN 14 -1.486 -5.062 2.907 116 H LYS 15 HN LYS 15 -3.891 -4.858 -0.734 117 HA LYS 15 HA LYS 15 -5.876 -3.181 0.457 118 HB2 LYS 15 HB1 LYS 15 -6.462 -4.943 -1.151 119 HB3 LYS 15 HB2 LYS 15 -5.883 -6.167 -0.029 120 HG2 LYS 15 HG2 LYS 15 -7.621 -5.535 1.565 121 HG3 LYS 15 HG1 LYS 15 -8.198 -4.299 0.446 122 HD2 LYS 15 HD1 LYS 15 -9.602 -6.238 0.240 123 HD3 LYS 15 HD2 LYS 15 -8.629 -6.087 -1.224 124 HE2 LYS 15 HE1 LYS 15 -8.732 -8.405 -0.466 125 HE3 LYS 15 HE2 LYS 15 -7.085 -7.778 -0.386 126 HZ1 LYS 15 HZ1 LYS 15 -8.959 -8.043 1.904 127 HZ2 LYS 15 HZ2 LYS 15 -7.394 -7.409 1.990 128 HZ3 LYS 15 HZ3 LYS 15 -7.624 -9.036 1.591 129 H HIS 16 HN HIS 16 -4.653 -6.339 1.582 130 HA HIS 16 HA HIS 16 -4.132 -5.341 4.222 131 HB2 HIS 16 HB1 HIS 16 -6.595 -5.589 4.285 132 HB3 HIS 16 HB2 HIS 16 -6.421 -7.285 3.851 133 HD1 HIS 16 HD1 HIS 16 -6.062 -4.920 6.708 134 HD2 HIS 16 HD2 HIS 16 -5.523 -8.966 5.923 135 HE1 HIS 16 HE1 HIS 16 -5.802 -6.013 8.958 136 HE2 HIS 16 HE2 HIS 16 -5.478 -8.462 8.459 137 H SER 17 HN SER 17 -4.538 -8.077 2.054 138 HA SER 17 HA SER 17 -2.138 -9.288 3.188 139 HB2 SER 17 HB1 SER 17 -3.194 -11.521 3.290 140 HB3 SER 17 HB2 SER 17 -3.968 -10.383 4.392 141 HG SER 17 HG SER 17 -5.128 -11.817 2.542 142 H THR 18 HN THR 18 -3.659 -8.159 0.587 143 HA THR 18 HA THR 18 -3.407 -10.129 -1.391 144 HB THR 18 HB THR 18 -3.060 -7.149 -1.777 145 HG1 THR 18 HG1 THR 18 -5.441 -8.720 -1.826 146 HG21 THR 18 HG21 THR 18 -2.429 -8.466 -3.732 147 HG22 THR 18 HG22 THR 18 -3.938 -7.602 -4.030 148 HG23 THR 18 HG23 THR 18 -3.967 -9.327 -3.664 149 H SER 19 HN SER 19 -1.046 -8.336 0.306 150 HA SER 19 HA SER 19 1.044 -8.127 -1.505 151 HB2 SER 19 HB1 SER 19 1.173 -7.098 0.684 152 HB3 SER 19 HB2 SER 19 1.128 -8.677 1.470 153 HG SER 19 HG SER 19 3.257 -7.888 1.329 154 H ILE 20 HN ILE 20 1.970 -9.637 -2.706 155 HA ILE 20 HA ILE 20 1.944 -12.419 -1.809 156 HB ILE 20 HB ILE 20 1.137 -11.996 -4.072 157 HG12 ILE 20 HG11 ILE 20 2.641 -13.566 -5.301 158 HG13 ILE 20 HG12 ILE 20 3.796 -13.439 -3.978 159 HG21 ILE 20 HG21 ILE 20 2.415 -9.982 -4.553 160 HG22 ILE 20 HG22 ILE 20 2.638 -11.185 -5.824 161 HG23 ILE 20 HG23 ILE 20 3.902 -10.928 -4.622 162 HD11 ILE 20 HD11 ILE 20 0.997 -14.523 -3.782 163 HD12 ILE 20 HD12 ILE 20 2.145 -14.384 -2.450 164 HD13 ILE 20 HD13 ILE 20 2.487 -15.466 -3.800 165 H GLY 21 HN GLY 21 3.766 -13.620 -1.450 166 HA2 GLY 21 HA2 GLY 21 6.341 -13.261 -2.214 167 HA3 GLY 21 HA1 GLY 21 6.179 -12.142 -0.868 168 H LYS 22 HN LYS 22 4.202 -13.995 0.422 169 HA LYS 22 HA LYS 22 6.194 -15.707 1.698 170 HB2 LYS 22 HB1 LYS 22 3.356 -15.049 2.511 171 HB3 LYS 22 HB2 LYS 22 4.486 -16.012 3.453 172 HG2 LYS 22 HG1 LYS 22 5.962 -14.082 3.670 173 HG3 LYS 22 HG2 LYS 22 4.836 -13.113 2.717 174 HD2 LYS 22 HD2 LYS 22 3.103 -13.466 4.413 175 HD3 LYS 22 HD1 LYS 22 4.238 -14.422 5.369 176 HE2 LYS 22 HE2 LYS 22 4.558 -11.515 4.631 177 HE3 LYS 22 HE1 LYS 22 4.065 -12.131 6.208 178 HZ1 LYS 22 HZ1 LYS 22 6.408 -11.577 6.181 179 HZ2 LYS 22 HZ2 LYS 22 6.679 -12.637 4.892 180 HZ3 LYS 22 HZ3 LYS 22 6.206 -13.242 6.399 Start of MODEL 18 1 H1 ACE 0 HA1 ACE 0 7.666 -1.214 -10.569 2 H2 ACE 0 HA2 ACE 0 8.993 -1.043 -11.715 3 H3 ACE 0 HA3 ACE 0 8.381 0.393 -10.896 4 H MET 1 HN MET 1 10.268 0.975 -9.915 5 HA MET 1 HA MET 1 11.492 -0.965 -8.083 6 HB2 MET 1 HB2 MET 1 12.534 1.697 -9.073 7 HB3 MET 1 HB1 MET 1 13.398 0.595 -8.009 8 HG2 MET 1 HG1 MET 1 12.555 0.020 -10.840 9 HG3 MET 1 HG2 MET 1 14.184 0.422 -10.302 10 HE1 MET 1 HE1 MET 1 14.380 -1.163 -7.560 11 HE2 MET 1 HE2 MET 1 15.671 -1.159 -8.761 12 HE3 MET 1 HE3 MET 1 15.092 -2.685 -8.092 13 H ASP 2 HN ASP 2 12.351 0.018 -6.007 14 HA ASP 2 HA ASP 2 11.078 2.322 -4.925 15 HB2 ASP 2 HB2 ASP 2 9.738 1.122 -3.191 16 HB3 ASP 2 HB1 ASP 2 9.116 0.925 -4.827 17 H TRP 3 HN TRP 3 11.699 2.720 -2.699 18 HA TRP 3 HA TRP 3 13.239 2.828 -1.026 19 HB2 TRP 3 HB2 TRP 3 12.410 0.590 -0.441 20 HB3 TRP 3 HB1 TRP 3 13.547 -0.129 -1.577 21 HD1 TRP 3 HD1 TRP 3 15.572 -1.140 -0.338 22 HE1 TRP 3 HE1 TRP 3 16.923 -0.561 1.776 23 HE3 TRP 3 HE3 TRP 3 13.046 2.996 1.065 24 HZ2 TRP 3 HZ2 TRP 3 16.901 1.433 3.793 25 HZ3 TRP 3 HZ3 TRP 3 13.741 4.220 3.098 26 HH2 TRP 3 HH2 TRP 3 15.638 3.445 4.433 27 H GLY 4 HN GLY 4 15.581 2.582 -0.528 28 HA2 GLY 4 HA1 GLY 4 17.197 3.422 -2.631 29 HA3 GLY 4 HA2 GLY 4 17.772 2.771 -1.099 30 H THR 5 HN THR 5 16.081 0.322 -1.819 31 HA THR 5 HA THR 5 16.924 -0.995 -4.082 32 HB THR 5 HB THR 5 19.215 -0.883 -3.447 33 HG1 THR 5 HG1 THR 5 18.768 -2.934 -4.166 34 HG21 THR 5 HG21 THR 5 20.059 -1.605 -1.269 35 HG22 THR 5 HG22 THR 5 18.414 -1.946 -0.735 36 HG23 THR 5 HG23 THR 5 18.901 -0.288 -1.086 37 H LEU 6 HN LEU 6 14.656 -1.433 -3.498 38 HA LEU 6 HA LEU 6 14.406 -3.974 -2.103 39 HB2 LEU 6 HB1 LEU 6 14.113 -1.980 -0.486 40 HB3 LEU 6 HB2 LEU 6 12.593 -1.715 -1.313 41 HG LEU 6 HG LEU 6 12.682 -4.444 -0.523 42 HD11 LEU 6 HD21 LEU 6 14.383 -3.854 1.095 43 HD12 LEU 6 HD22 LEU 6 12.853 -4.137 1.926 44 HD13 LEU 6 HD23 LEU 6 13.417 -2.486 1.653 45 HD21 LEU 6 HD11 LEU 6 11.146 -2.037 0.446 46 HD22 LEU 6 HD12 LEU 6 10.748 -3.709 0.851 47 HD23 LEU 6 HD13 LEU 6 10.663 -3.163 -0.824 48 H GLN 7 HN GLN 7 11.806 -4.368 -2.015 49 HA GLN 7 HA GLN 7 10.491 -3.352 -4.365 50 HB2 GLN 7 HB2 GLN 7 11.355 -6.222 -4.123 51 HB3 GLN 7 HB1 GLN 7 9.956 -5.776 -5.089 52 HG2 GLN 7 HG2 GLN 7 12.801 -4.894 -5.492 53 HG3 GLN 7 HG1 GLN 7 11.855 -5.967 -6.522 54 HE21 GLN 7 HE21 GLN 7 9.692 -2.921 -7.206 55 HE22 GLN 7 HE22 GLN 7 9.444 -4.297 -6.190 56 H THR 8 HN THR 8 10.443 -5.273 -1.450 57 HA THR 8 HA THR 8 7.579 -5.569 -1.498 58 HB THR 8 HB THR 8 7.798 -6.655 0.667 59 HG1 THR 8 HG1 THR 8 9.946 -5.125 0.796 60 HG21 THR 8 HG21 THR 8 10.006 -7.509 -1.216 61 HG22 THR 8 HG22 THR 8 8.318 -8.008 -1.316 62 HG23 THR 8 HG23 THR 8 9.300 -8.498 0.064 63 H ILE 9 HN ILE 9 8.086 -3.030 -1.793 64 HA ILE 9 HA ILE 9 7.797 -1.691 0.775 65 HB ILE 9 HB ILE 9 8.996 -1.092 -1.728 66 HG12 ILE 9 HG12 ILE 9 10.033 -0.771 0.468 67 HG13 ILE 9 HG11 ILE 9 10.056 0.722 -0.462 68 HG21 ILE 9 HG21 ILE 9 8.224 1.238 -2.037 69 HG22 ILE 9 HG22 ILE 9 6.945 0.942 -0.859 70 HG23 ILE 9 HG23 ILE 9 6.972 0.043 -2.376 71 HD11 ILE 9 HD11 ILE 9 8.126 0.053 1.747 72 HD12 ILE 9 HD12 ILE 9 8.156 1.553 0.819 73 HD13 ILE 9 HD13 ILE 9 9.513 1.138 1.865 74 H LEU 10 HN LEU 10 6.041 -2.653 -1.992 75 HA LEU 10 HA LEU 10 3.619 -1.398 -0.911 76 HB2 LEU 10 HB1 LEU 10 4.915 -0.582 -3.259 77 HB3 LEU 10 HB2 LEU 10 3.533 -1.508 -3.789 78 HG LEU 10 HG LEU 10 3.148 0.965 -3.601 79 HD11 LEU 10 HD11 LEU 10 0.948 0.745 -2.612 80 HD12 LEU 10 HD12 LEU 10 1.419 -0.771 -1.845 81 HD13 LEU 10 HD13 LEU 10 1.313 -0.667 -3.602 82 HD21 LEU 10 HD21 LEU 10 4.470 1.301 -1.546 83 HD22 LEU 10 HD22 LEU 10 3.242 0.414 -0.642 84 HD23 LEU 10 HD23 LEU 10 2.830 1.941 -1.420 85 H GLY 11 HN GLY 11 1.636 -2.342 -1.772 86 HA2 GLY 11 HA2 GLY 11 1.679 -4.760 -3.243 87 HA3 GLY 11 HA1 GLY 11 1.519 -5.090 -1.522 88 H ARG 12 HN ARG 12 0.230 -2.163 -2.816 89 HA ARG 12 HA ARG 12 -1.870 -1.331 -2.972 90 HB2 ARG 12 HB2 ARG 12 -1.892 -3.119 -4.792 91 HB3 ARG 12 HB1 ARG 12 -2.760 -4.134 -3.651 92 HG2 ARG 12 HG1 ARG 12 -4.328 -3.094 -5.133 93 HG3 ARG 12 HG2 ARG 12 -4.527 -2.410 -3.518 94 HD2 ARG 12 HD1 ARG 12 -3.180 -0.470 -4.188 95 HD3 ARG 12 HD2 ARG 12 -3.018 -1.149 -5.806 96 HE ARG 12 HE ARG 12 -5.740 -0.966 -5.207 97 HH11 ARG 12 HH11 ARG 12 -3.975 2.426 -6.397 98 HH12 ARG 12 HH12 ARG 12 -3.013 1.129 -5.767 99 HH21 ARG 12 HH21 ARG 12 -6.248 2.201 -6.546 100 HH22 ARG 12 HH22 ARG 12 -7.014 0.735 -6.033 101 H VAL 13 HN VAL 13 -0.894 -2.715 -0.468 102 HA VAL 13 HA VAL 13 -3.529 -3.008 0.820 103 HB VAL 13 HB VAL 13 -2.426 -5.176 0.769 104 HG11 VAL 13 HG21 VAL 13 -0.291 -5.550 1.904 105 HG12 VAL 13 HG22 VAL 13 -0.154 -3.821 2.218 106 HG13 VAL 13 HG23 VAL 13 -0.118 -4.422 0.561 107 HG21 VAL 13 HG11 VAL 13 -2.421 -5.670 3.166 108 HG22 VAL 13 HG12 VAL 13 -3.775 -4.632 2.722 109 HG23 VAL 13 HG13 VAL 13 -2.361 -3.943 3.520 110 H ASN 14 HN ASN 14 -3.859 -1.931 2.718 111 HA ASN 14 HA ASN 14 -1.610 -0.351 3.775 112 HB2 ASN 14 HB1 ASN 14 -4.466 0.587 3.429 113 HB3 ASN 14 HB2 ASN 14 -3.173 1.509 4.190 114 HD21 ASN 14 HD21 ASN 14 -1.466 1.444 0.824 115 HD22 ASN 14 HD22 ASN 14 -1.162 0.593 2.296 116 H LYS 15 HN LYS 15 -1.179 -1.398 5.626 117 HA LYS 15 HA LYS 15 -1.394 -2.184 7.744 118 HB2 LYS 15 HB1 LYS 15 -2.311 0.066 8.156 119 HB3 LYS 15 HB2 LYS 15 -3.920 -0.523 7.760 120 HG2 LYS 15 HG2 LYS 15 -3.849 -2.036 9.668 121 HG3 LYS 15 HG1 LYS 15 -2.221 -1.476 10.057 122 HD2 LYS 15 HD2 LYS 15 -3.087 0.791 10.398 123 HD3 LYS 15 HD1 LYS 15 -4.714 0.224 10.020 124 HE2 LYS 15 HE2 LYS 15 -4.633 -1.291 11.937 125 HE3 LYS 15 HE1 LYS 15 -3.005 -0.730 12.314 126 HZ1 LYS 15 HZ1 LYS 15 -3.891 1.488 12.680 127 HZ2 LYS 15 HZ2 LYS 15 -4.656 0.367 13.690 128 HZ3 LYS 15 HZ3 LYS 15 -5.453 0.950 12.317 129 H HIS 16 HN HIS 16 -4.883 -1.970 7.240 130 HA HIS 16 HA HIS 16 -5.158 -4.757 6.599 131 HB2 HIS 16 HB1 HIS 16 -4.743 -4.882 9.028 132 HB3 HIS 16 HB2 HIS 16 -6.097 -3.793 9.310 133 HD1 HIS 16 HD1 HIS 16 -5.278 -7.331 8.502 134 HD2 HIS 16 HD2 HIS 16 -8.650 -4.950 8.984 135 HE1 HIS 16 HE1 HIS 16 -7.213 -8.930 8.665 136 HE2 HIS 16 HE2 HIS 16 -9.245 -7.467 8.957 137 H SER 17 HN SER 17 -6.675 -4.641 5.086 138 HA SER 17 HA SER 17 -9.281 -3.606 5.699 139 HB2 SER 17 HB1 SER 17 -9.361 -1.973 3.844 140 HB3 SER 17 HB2 SER 17 -8.173 -1.515 5.063 141 HG SER 17 HG SER 17 -7.191 -1.291 3.097 142 H THR 18 HN THR 18 -7.486 -5.888 4.459 143 HA THR 18 HA THR 18 -8.720 -6.367 1.914 144 HB THR 18 HB THR 18 -6.479 -7.231 2.371 145 HG1 THR 18 HG1 THR 18 -7.806 -8.398 0.898 146 HG21 THR 18 HG21 THR 18 -7.833 -9.002 4.408 147 HG22 THR 18 HG22 THR 18 -6.726 -7.676 4.764 148 HG23 THR 18 HG23 THR 18 -6.144 -9.107 3.912 149 H SER 19 HN SER 19 -10.137 -6.265 4.729 150 HA SER 19 HA SER 19 -11.483 -8.807 4.832 151 HB2 SER 19 HB1 SER 19 -11.068 -7.621 6.906 152 HB3 SER 19 HB2 SER 19 -11.946 -6.210 6.317 153 HG SER 19 HG SER 19 -12.907 -8.655 7.253 154 H ILE 20 HN ILE 20 -11.678 -6.865 2.470 155 HA ILE 20 HA ILE 20 -14.575 -6.442 2.409 156 HB ILE 20 HB ILE 20 -14.154 -5.161 0.339 157 HG12 ILE 20 HG12 ILE 20 -11.228 -5.625 0.965 158 HG13 ILE 20 HG11 ILE 20 -12.107 -6.407 -0.344 159 HG21 ILE 20 HG21 ILE 20 -13.049 -3.256 1.410 160 HG22 ILE 20 HG22 ILE 20 -12.480 -4.314 2.701 161 HG23 ILE 20 HG23 ILE 20 -14.208 -4.026 2.492 162 HD11 ILE 20 HD11 ILE 20 -11.617 -3.452 -0.065 163 HD12 ILE 20 HD12 ILE 20 -12.509 -4.230 -1.372 164 HD13 ILE 20 HD13 ILE 20 -10.787 -4.552 -1.167 165 H GLY 21 HN GLY 21 -15.738 -6.993 0.396 166 HA2 GLY 21 HA1 GLY 21 -15.736 -8.291 -1.678 167 HA3 GLY 21 HA2 GLY 21 -14.612 -9.396 -0.902 168 H LYS 22 HN LYS 22 -17.177 -8.205 1.044 169 HA LYS 22 HA LYS 22 -18.940 -10.432 0.435 170 HB2 LYS 22 HB1 LYS 22 -18.991 -11.064 2.903 171 HB3 LYS 22 HB2 LYS 22 -17.579 -11.567 1.987 172 HG2 LYS 22 HG2 LYS 22 -16.319 -9.675 2.893 173 HG3 LYS 22 HG1 LYS 22 -17.736 -9.186 3.825 174 HD2 LYS 22 HD1 LYS 22 -16.356 -11.855 4.087 175 HD3 LYS 22 HD2 LYS 22 -16.067 -10.472 5.144 176 HE2 LYS 22 HE1 LYS 22 -18.428 -10.485 5.798 177 HE3 LYS 22 HE2 LYS 22 -18.708 -11.875 4.751 178 HZ1 LYS 22 HZ1 LYS 22 -18.419 -12.554 7.044 179 HZ2 LYS 22 HZ2 LYS 22 -16.897 -11.820 7.104 180 HZ3 LYS 22 HZ3 LYS 22 -17.154 -13.152 6.094 Start of MODEL 19 1 H1 ACE 0 HA1 ACE 0 5.735 -4.492 -8.276 2 H2 ACE 0 HA2 ACE 0 5.104 -2.958 -7.681 3 H3 ACE 0 HA3 ACE 0 4.894 -4.406 -6.699 4 H MET 1 HN MET 1 6.667 -1.662 -7.026 5 HA MET 1 HA MET 1 8.849 -2.803 -5.421 6 HB2 MET 1 HB1 MET 1 9.172 -0.785 -7.651 7 HB3 MET 1 HB2 MET 1 10.450 -1.303 -6.560 8 HG2 MET 1 HG2 MET 1 10.239 -3.589 -7.406 9 HG3 MET 1 HG1 MET 1 8.973 -3.056 -8.511 10 HE1 MET 1 HE1 MET 1 10.941 -0.636 -10.883 11 HE2 MET 1 HE2 MET 1 10.062 -0.205 -9.417 12 HE3 MET 1 HE3 MET 1 9.382 -1.386 -10.537 13 H ASP 2 HN ASP 2 10.246 -0.673 -4.701 14 HA ASP 2 HA ASP 2 8.685 1.608 -4.018 15 HB2 ASP 2 HB1 ASP 2 7.744 -0.025 -2.413 16 HB3 ASP 2 HB2 ASP 2 9.363 -0.285 -1.771 17 H TRP 3 HN TRP 3 11.135 -0.072 -2.180 18 HA TRP 3 HA TRP 3 12.815 2.067 -1.699 19 HB2 TRP 3 HB2 TRP 3 13.087 -0.076 -0.558 20 HB3 TRP 3 HB1 TRP 3 13.557 -0.833 -2.074 21 HD1 TRP 3 HD1 TRP 3 16.120 -1.198 -2.199 22 HE1 TRP 3 HE1 TRP 3 18.197 0.029 -1.292 23 HE3 TRP 3 HE3 TRP 3 13.788 2.610 0.129 24 HZ2 TRP 3 HZ2 TRP 3 18.753 2.357 0.236 25 HZ3 TRP 3 HZ3 TRP 3 15.121 4.330 1.310 26 HH2 TRP 3 HH2 TRP 3 17.563 4.197 1.357 27 H GLY 4 HN GLY 4 15.014 2.440 -2.590 28 HA2 GLY 4 HA1 GLY 4 15.065 3.133 -5.234 29 HA3 GLY 4 HA2 GLY 4 16.503 2.719 -4.304 30 H THR 5 HN THR 5 15.648 0.023 -3.784 31 HA THR 5 HA THR 5 15.092 -1.444 -6.128 32 HB THR 5 HB THR 5 18.002 -1.529 -5.280 33 HG1 THR 5 HG1 THR 5 16.925 -0.601 -7.747 34 HG21 THR 5 HG21 THR 5 17.146 -3.685 -6.052 35 HG22 THR 5 HG22 THR 5 18.278 -3.003 -7.220 36 HG23 THR 5 HG23 THR 5 16.542 -2.926 -7.525 37 H LEU 6 HN LEU 6 13.704 -2.044 -4.212 38 HA LEU 6 HA LEU 6 14.846 -4.395 -2.901 39 HB2 LEU 6 HB1 LEU 6 14.763 -2.099 -1.540 40 HB3 LEU 6 HB2 LEU 6 13.140 -2.647 -1.210 41 HG LEU 6 HG LEU 6 14.655 -4.875 -0.630 42 HD11 LEU 6 HD21 LEU 6 16.740 -3.684 -0.938 43 HD12 LEU 6 HD22 LEU 6 16.506 -4.031 0.776 44 HD13 LEU 6 HD23 LEU 6 16.202 -2.406 0.156 45 HD21 LEU 6 HD11 LEU 6 12.893 -4.111 0.774 46 HD22 LEU 6 HD12 LEU 6 13.735 -2.599 1.113 47 HD23 LEU 6 HD13 LEU 6 14.362 -4.122 1.751 48 H GLN 7 HN GLN 7 12.441 -4.556 -1.150 49 HA GLN 7 HA GLN 7 10.129 -4.568 -2.777 50 HB2 GLN 7 HB1 GLN 7 9.959 -7.176 -2.688 51 HB3 GLN 7 HB2 GLN 7 10.885 -6.406 -3.970 52 HG2 GLN 7 HG1 GLN 7 12.030 -8.348 -2.981 53 HG3 GLN 7 HG2 GLN 7 12.949 -6.851 -2.823 54 HE21 GLN 7 HE21 GLN 7 13.024 -5.816 -0.763 55 HE22 GLN 7 HE22 GLN 7 12.776 -6.724 0.685 56 H THR 8 HN THR 8 8.323 -5.936 -1.765 57 HA THR 8 HA THR 8 6.962 -6.315 0.026 58 HB THR 8 HB THR 8 9.242 -6.616 1.921 59 HG1 THR 8 HG1 THR 8 9.630 -7.568 -0.357 60 HG21 THR 8 HG21 THR 8 7.939 -8.571 2.633 61 HG22 THR 8 HG22 THR 8 6.797 -8.290 1.319 62 HG23 THR 8 HG23 THR 8 6.948 -7.113 2.623 63 H ILE 9 HN ILE 9 8.642 -3.778 -0.483 64 HA ILE 9 HA ILE 9 8.269 -2.398 2.067 65 HB ILE 9 HB ILE 9 9.555 -1.344 -0.450 66 HG12 ILE 9 HG12 ILE 9 10.790 -3.300 0.188 67 HG13 ILE 9 HG11 ILE 9 11.716 -1.889 0.681 68 HG21 ILE 9 HG21 ILE 9 9.630 -0.462 2.416 69 HG22 ILE 9 HG22 ILE 9 9.003 0.426 1.027 70 HG23 ILE 9 HG23 ILE 9 10.735 0.129 1.178 71 HD11 ILE 9 HD11 ILE 9 10.930 -2.174 2.974 72 HD12 ILE 9 HD12 ILE 9 11.772 -3.608 2.389 73 HD13 ILE 9 HD13 ILE 9 10.011 -3.595 2.481 74 H LEU 10 HN LEU 10 6.284 -3.174 -0.224 75 HA LEU 10 HA LEU 10 5.218 -0.765 -1.231 76 HB2 LEU 10 HB1 LEU 10 4.322 -3.583 -1.016 77 HB3 LEU 10 HB2 LEU 10 3.098 -2.371 -1.334 78 HG LEU 10 HG LEU 10 3.853 -3.356 -3.417 79 HD11 LEU 10 HD21 LEU 10 4.379 -1.339 -4.618 80 HD12 LEU 10 HD22 LEU 10 4.940 -0.561 -3.138 81 HD13 LEU 10 HD23 LEU 10 3.233 -0.958 -3.332 82 HD21 LEU 10 HD11 LEU 10 6.154 -3.097 -4.191 83 HD22 LEU 10 HD12 LEU 10 6.080 -4.056 -2.713 84 HD23 LEU 10 HD13 LEU 10 6.596 -2.371 -2.645 85 H GLY 11 HN GLY 11 4.894 0.721 0.408 86 HA2 GLY 11 HA2 GLY 11 3.243 -0.077 2.652 87 HA3 GLY 11 HA1 GLY 11 4.005 1.498 2.440 88 H ARG 12 HN ARG 12 2.369 0.271 -0.274 89 HA ARG 12 HA ARG 12 0.165 2.151 0.179 90 HB2 ARG 12 HB1 ARG 12 1.215 1.012 -2.414 91 HB3 ARG 12 HB2 ARG 12 -0.110 2.158 -2.270 92 HG2 ARG 12 HG1 ARG 12 1.441 3.795 -1.287 93 HG3 ARG 12 HG2 ARG 12 2.763 2.648 -1.518 94 HD2 ARG 12 HD2 ARG 12 1.043 3.848 -3.684 95 HD3 ARG 12 HD1 ARG 12 2.712 4.285 -3.319 96 HE ARG 12 HE ARG 12 2.761 1.586 -3.806 97 HH11 ARG 12 HH11 ARG 12 2.146 3.756 -7.116 98 HH12 ARG 12 HH12 ARG 12 1.776 4.430 -5.564 99 HH21 ARG 12 HH21 ARG 12 3.252 0.692 -5.846 100 HH22 ARG 12 HH22 ARG 12 2.985 1.631 -7.276 101 H VAL 13 HN VAL 13 0.624 -0.857 0.826 102 HA VAL 13 HA VAL 13 -2.030 -1.720 -0.119 103 HB VAL 13 HB VAL 13 0.338 -3.557 0.252 104 HG11 VAL 13 HG11 VAL 13 -1.812 -4.625 0.636 105 HG12 VAL 13 HG12 VAL 13 -1.092 -5.206 -0.865 106 HG13 VAL 13 HG13 VAL 13 -2.404 -4.027 -0.914 107 HG21 VAL 13 HG21 VAL 13 0.384 -3.736 -2.191 108 HG22 VAL 13 HG22 VAL 13 0.717 -2.090 -1.655 109 HG23 VAL 13 HG23 VAL 13 -0.870 -2.502 -2.303 110 H ASN 14 HN ASN 14 -3.334 -2.715 1.364 111 HA ASN 14 HA ASN 14 -2.315 -3.629 3.897 112 HB2 ASN 14 HB2 ASN 14 -2.490 -1.152 4.199 113 HB3 ASN 14 HB1 ASN 14 -4.217 -1.279 3.880 114 HD21 ASN 14 HD21 ASN 14 -5.568 -2.103 5.431 115 HD22 ASN 14 HD22 ASN 14 -5.060 -2.411 7.053 116 H LYS 15 HN LYS 15 -4.265 -4.028 1.404 117 HA LYS 15 HA LYS 15 -6.769 -4.670 2.591 118 HB2 LYS 15 HB2 LYS 15 -5.537 -5.452 -0.051 119 HB3 LYS 15 HB1 LYS 15 -7.172 -5.890 0.420 120 HG2 LYS 15 HG1 LYS 15 -7.479 -4.001 -0.878 121 HG3 LYS 15 HG2 LYS 15 -7.524 -3.366 0.768 122 HD2 LYS 15 HD2 LYS 15 -6.125 -1.856 -0.266 123 HD3 LYS 15 HD1 LYS 15 -4.964 -3.008 0.396 124 HE2 LYS 15 HE1 LYS 15 -6.007 -2.985 -2.434 125 HE3 LYS 15 HE2 LYS 15 -4.426 -2.404 -1.915 126 HZ1 LYS 15 HZ1 LYS 15 -4.268 -4.622 -2.824 127 HZ2 LYS 15 HZ2 LYS 15 -5.403 -5.200 -1.712 128 HZ3 LYS 15 HZ3 LYS 15 -3.897 -4.651 -1.173 129 H HIS 16 HN HIS 16 -3.837 -6.119 2.956 130 HA HIS 16 HA HIS 16 -4.396 -8.863 2.721 131 HB2 HIS 16 HB2 HIS 16 -2.459 -7.426 4.548 132 HB3 HIS 16 HB1 HIS 16 -2.478 -9.167 4.284 133 HD1 HIS 16 HD1 HIS 16 -0.850 -6.211 3.128 134 HD2 HIS 16 HD2 HIS 16 -2.104 -9.754 1.353 135 HE1 HIS 16 HE1 HIS 16 0.460 -6.392 0.990 136 HE2 HIS 16 HE2 HIS 16 -0.314 -8.543 -0.069 137 H SER 17 HN SER 17 -4.282 -6.877 5.684 138 HA SER 17 HA SER 17 -5.326 -7.069 7.695 139 HB2 SER 17 HB2 SER 17 -7.437 -8.467 6.029 140 HB3 SER 17 HB1 SER 17 -7.665 -7.883 7.678 141 HG SER 17 HG SER 17 -8.419 -6.319 6.288 142 H THR 18 HN THR 18 -3.632 -9.331 6.537 143 HA THR 18 HA THR 18 -4.627 -11.727 7.750 144 HB THR 18 HB THR 18 -3.101 -11.830 5.829 145 HG1 THR 18 HG1 THR 18 -1.894 -12.924 8.169 146 HG21 THR 18 HG21 THR 18 -0.714 -11.327 6.117 147 HG22 THR 18 HG22 THR 18 -1.042 -10.715 7.738 148 HG23 THR 18 HG23 THR 18 -1.710 -9.888 6.330 149 H SER 19 HN SER 19 -3.760 -9.014 9.174 150 HA SER 19 HA SER 19 -1.776 -9.530 11.029 151 HB2 SER 19 HB2 SER 19 -2.960 -7.335 10.624 152 HB3 SER 19 HB1 SER 19 -4.295 -7.955 11.596 153 HG SER 19 HG SER 19 -2.796 -8.200 13.326 154 H ILE 20 HN ILE 20 -1.592 -11.061 12.516 155 HA ILE 20 HA ILE 20 -4.035 -12.283 13.608 156 HB ILE 20 HB ILE 20 -2.563 -13.866 12.488 157 HG12 ILE 20 HG11 ILE 20 -2.413 -14.213 15.492 158 HG13 ILE 20 HG12 ILE 20 -3.832 -14.569 14.513 159 HG21 ILE 20 HG21 ILE 20 -0.461 -12.662 12.743 160 HG22 ILE 20 HG22 ILE 20 -0.309 -14.321 13.320 161 HG23 ILE 20 HG23 ILE 20 -0.466 -12.997 14.475 162 HD11 ILE 20 HD11 ILE 20 -1.156 -15.926 14.301 163 HD12 ILE 20 HD12 ILE 20 -2.574 -16.281 13.314 164 HD13 ILE 20 HD13 ILE 20 -2.608 -16.589 15.050 165 H GLY 21 HN GLY 21 -4.403 -12.364 15.781 166 HA2 GLY 21 HA2 GLY 21 -3.889 -12.175 18.065 167 HA3 GLY 21 HA1 GLY 21 -2.325 -11.499 17.634 168 H LYS 22 HN LYS 22 -3.567 -9.558 15.777 169 HA LYS 22 HA LYS 22 -4.900 -7.789 17.712 170 HB2 LYS 22 HB1 LYS 22 -2.696 -6.996 15.798 171 HB3 LYS 22 HB2 LYS 22 -3.601 -5.889 16.821 172 HG2 LYS 22 HG1 LYS 22 -2.718 -6.985 18.810 173 HG3 LYS 22 HG2 LYS 22 -1.824 -8.118 17.793 174 HD2 LYS 22 HD1 LYS 22 -0.559 -6.254 16.832 175 HD3 LYS 22 HD2 LYS 22 -1.451 -5.124 17.852 176 HE2 LYS 22 HE1 LYS 22 0.333 -7.353 18.826 177 HE3 LYS 22 HE2 LYS 22 0.751 -5.640 18.788 178 HZ1 LYS 22 HZ1 LYS 22 -1.051 -5.203 20.337 179 HZ2 LYS 22 HZ2 LYS 22 0.036 -6.325 20.987 180 HZ3 LYS 22 HZ3 LYS 22 -1.452 -6.847 20.374 Start of MODEL 20 1 H1 ACE 0 HA1 ACE 0 9.884 -0.839 -13.762 2 H2 ACE 0 HA2 ACE 0 9.043 0.306 -12.719 3 H3 ACE 0 HA3 ACE 0 8.505 -1.372 -12.752 4 H MET 1 HN MET 1 9.717 0.557 -10.670 5 HA MET 1 HA MET 1 11.407 -1.485 -9.453 6 HB2 MET 1 HB1 MET 1 13.117 0.182 -8.820 7 HB3 MET 1 HB2 MET 1 13.014 -0.048 -10.560 8 HG2 MET 1 HG2 MET 1 11.699 1.999 -10.755 9 HG3 MET 1 HG1 MET 1 11.806 2.232 -9.011 10 HE1 MET 1 HE1 MET 1 12.625 4.460 -11.120 11 HE2 MET 1 HE2 MET 1 14.134 5.054 -10.427 12 HE3 MET 1 HE3 MET 1 12.764 4.694 -9.377 13 H ASP 2 HN ASP 2 12.070 -0.625 -7.147 14 HA ASP 2 HA ASP 2 9.734 0.719 -5.953 15 HB2 ASP 2 HB1 ASP 2 11.227 -1.647 -4.803 16 HB3 ASP 2 HB2 ASP 2 9.870 -0.817 -4.049 17 H TRP 3 HN TRP 3 11.288 0.016 -3.350 18 HA TRP 3 HA TRP 3 12.219 2.312 -2.445 19 HB2 TRP 3 HB2 TRP 3 12.669 0.694 -0.900 20 HB3 TRP 3 HB1 TRP 3 13.198 -0.460 -2.118 21 HD1 TRP 3 HD1 TRP 3 15.757 -0.913 -2.154 22 HE1 TRP 3 HE1 TRP 3 17.839 0.276 -1.212 23 HE3 TRP 3 HE3 TRP 3 13.521 3.254 -0.398 24 HZ2 TRP 3 HZ2 TRP 3 18.439 2.711 0.116 25 HZ3 TRP 3 HZ3 TRP 3 14.882 5.001 0.705 26 HH2 TRP 3 HH2 TRP 3 17.300 4.726 0.951 27 H GLY 4 HN GLY 4 14.131 0.189 -4.469 28 HA2 GLY 4 HA1 GLY 4 15.393 1.823 -6.161 29 HA3 GLY 4 HA2 GLY 4 16.296 2.091 -4.663 30 H THR 5 HN THR 5 15.496 -0.693 -3.914 31 HA THR 5 HA THR 5 16.521 -2.629 -5.634 32 HB THR 5 HB THR 5 18.691 -1.522 -5.310 33 HG1 THR 5 HG1 THR 5 18.449 -3.914 -5.344 34 HG21 THR 5 HG21 THR 5 18.268 -2.100 -2.374 35 HG22 THR 5 HG22 THR 5 18.268 -0.504 -3.125 36 HG23 THR 5 HG23 THR 5 19.746 -1.465 -3.098 37 H LEU 6 HN LEU 6 14.480 -1.994 -3.594 38 HA LEU 6 HA LEU 6 14.867 -4.276 -1.763 39 HB2 LEU 6 HB1 LEU 6 14.736 -1.821 -0.860 40 HB3 LEU 6 HB2 LEU 6 13.021 -1.987 -1.170 41 HG LEU 6 HG LEU 6 13.812 -4.264 0.318 42 HD11 LEU 6 HD21 LEU 6 14.842 -1.673 1.470 43 HD12 LEU 6 HD22 LEU 6 15.818 -3.057 0.975 44 HD13 LEU 6 HD23 LEU 6 14.711 -3.202 2.342 45 HD21 LEU 6 HD11 LEU 6 12.273 -3.334 1.966 46 HD22 LEU 6 HD12 LEU 6 11.617 -3.179 0.336 47 HD23 LEU 6 HD13 LEU 6 12.319 -1.775 1.142 48 H GLN 7 HN GLN 7 12.390 -4.604 -0.786 49 HA GLN 7 HA GLN 7 10.418 -4.504 -2.857 50 HB2 GLN 7 HB1 GLN 7 11.239 -6.493 -3.681 51 HB3 GLN 7 HB2 GLN 7 11.862 -7.006 -2.120 52 HG2 GLN 7 HG1 GLN 7 10.145 -8.484 -2.493 53 HG3 GLN 7 HG2 GLN 7 9.401 -7.261 -1.471 54 HE21 GLN 7 HE21 GLN 7 9.245 -5.327 -3.685 55 HE22 GLN 7 HE22 GLN 7 7.939 -5.861 -4.679 56 H THR 8 HN THR 8 8.291 -5.206 -2.074 57 HA THR 8 HA THR 8 6.618 -5.333 -0.534 58 HB THR 8 HB THR 8 8.452 -5.683 1.788 59 HG1 THR 8 HG1 THR 8 9.187 -6.954 -0.138 60 HG21 THR 8 HG21 THR 8 6.750 -7.330 2.437 61 HG22 THR 8 HG22 THR 8 5.904 -7.050 0.915 62 HG23 THR 8 HG23 THR 8 6.030 -5.755 2.104 63 H ILE 9 HN ILE 9 8.887 -3.103 -0.742 64 HA ILE 9 HA ILE 9 8.593 -1.480 1.521 65 HB ILE 9 HB ILE 9 10.074 -1.372 -0.810 66 HG12 ILE 9 HG12 ILE 9 10.818 -0.708 1.423 67 HG13 ILE 9 HG11 ILE 9 11.186 0.543 0.242 68 HG21 ILE 9 HG21 ILE 9 9.711 0.820 -1.776 69 HG22 ILE 9 HG22 ILE 9 8.340 1.088 -0.700 70 HG23 ILE 9 HG23 ILE 9 8.259 -0.169 -1.935 71 HD11 ILE 9 HD11 ILE 9 10.381 1.509 2.310 72 HD12 ILE 9 HD12 ILE 9 8.893 0.569 2.191 73 HD13 ILE 9 HD13 ILE 9 9.244 1.820 0.998 74 H LEU 10 HN LEU 10 6.402 -2.262 -0.829 75 HA LEU 10 HA LEU 10 4.933 0.103 -1.161 76 HB2 LEU 10 HB1 LEU 10 4.500 -2.785 -1.560 77 HB3 LEU 10 HB2 LEU 10 3.057 -1.796 -1.451 78 HG LEU 10 HG LEU 10 3.669 -2.094 -3.776 79 HD11 LEU 10 HD21 LEU 10 2.696 0.054 -3.053 80 HD12 LEU 10 HD22 LEU 10 3.744 0.220 -4.464 81 HD13 LEU 10 HD23 LEU 10 4.326 0.703 -2.871 82 HD21 LEU 10 HD11 LEU 10 6.307 -0.837 -3.032 83 HD22 LEU 10 HD12 LEU 10 5.779 -1.249 -4.664 84 HD23 LEU 10 HD13 LEU 10 6.052 -2.525 -3.476 85 H GLY 11 HN GLY 11 4.681 1.091 0.867 86 HA2 GLY 11 HA2 GLY 11 3.216 -0.415 2.875 87 HA3 GLY 11 HA1 GLY 11 3.923 1.183 3.101 88 H ARG 12 HN ARG 12 2.149 0.683 0.232 89 HA ARG 12 HA ARG 12 -0.103 2.219 1.331 90 HB2 ARG 12 HB1 ARG 12 0.954 2.142 -1.498 91 HB3 ARG 12 HB2 ARG 12 -0.451 3.058 -0.968 92 HG2 ARG 12 HG2 ARG 12 0.945 4.419 0.473 93 HG3 ARG 12 HG1 ARG 12 2.363 3.469 0.024 94 HD2 ARG 12 HD2 ARG 12 0.681 5.110 -1.865 95 HD3 ARG 12 HD1 ARG 12 2.243 5.591 -1.206 96 HE ARG 12 HE ARG 12 2.295 3.077 -2.599 97 HH11 ARG 12 HH11 ARG 12 3.452 6.465 -4.390 98 HH12 ARG 12 HH12 ARG 12 2.536 6.538 -2.923 99 HH21 ARG 12 HH21 ARG 12 3.503 2.972 -4.531 100 HH22 ARG 12 HH22 ARG 12 4.002 4.440 -5.304 101 H VAL 13 HN VAL 13 0.470 -0.783 0.973 102 HA VAL 13 HA VAL 13 -1.741 -1.545 -0.771 103 HB VAL 13 HB VAL 13 -1.032 -3.859 -0.359 104 HG11 VAL 13 HG11 VAL 13 -0.018 -2.635 -2.195 105 HG12 VAL 13 HG12 VAL 13 1.155 -3.735 -1.470 106 HG13 VAL 13 HG13 VAL 13 1.227 -2.008 -1.114 107 HG21 VAL 13 HG21 VAL 13 1.018 -4.313 0.914 108 HG22 VAL 13 HG22 VAL 13 -0.252 -3.633 1.931 109 HG23 VAL 13 HG23 VAL 13 1.086 -2.617 1.393 110 H ASN 14 HN ASN 14 -3.194 -3.338 0.077 111 HA ASN 14 HA ASN 14 -3.782 -3.094 2.930 112 HB2 ASN 14 HB1 ASN 14 -6.175 -2.700 2.485 113 HB3 ASN 14 HB2 ASN 14 -5.174 -1.386 1.875 114 HD21 ASN 14 HD21 ASN 14 -5.975 -1.880 -1.482 115 HD22 ASN 14 HD22 ASN 14 -4.913 -1.129 -0.345 116 H LYS 15 HN LYS 15 -4.622 -4.916 3.835 117 HA LYS 15 HA LYS 15 -5.695 -7.033 2.172 118 HB2 LYS 15 HB1 LYS 15 -3.258 -7.408 2.064 119 HB3 LYS 15 HB2 LYS 15 -3.199 -7.479 3.819 120 HG2 LYS 15 HG2 LYS 15 -4.620 -9.462 3.794 121 HG3 LYS 15 HG1 LYS 15 -4.692 -9.388 2.033 122 HD2 LYS 15 HD1 LYS 15 -2.261 -9.680 1.925 123 HD3 LYS 15 HD2 LYS 15 -2.197 -9.769 3.687 124 HE2 LYS 15 HE2 LYS 15 -3.673 -11.674 1.873 125 HE3 LYS 15 HE1 LYS 15 -2.132 -11.992 2.669 126 HZ1 LYS 15 HZ1 LYS 15 -4.710 -11.465 4.046 127 HZ2 LYS 15 HZ2 LYS 15 -3.232 -11.774 4.808 128 HZ3 LYS 15 HZ3 LYS 15 -3.971 -12.978 3.880 129 H HIS 16 HN HIS 16 -4.956 -5.663 5.276 130 HA HIS 16 HA HIS 16 -5.908 -5.859 7.328 131 HB2 HIS 16 HB2 HIS 16 -8.172 -7.111 5.758 132 HB3 HIS 16 HB1 HIS 16 -8.273 -6.576 7.432 133 HD1 HIS 16 HD1 HIS 16 -8.668 -4.113 7.852 134 HD2 HIS 16 HD2 HIS 16 -7.958 -4.989 3.853 135 HE1 HIS 16 HE1 HIS 16 -9.203 -2.001 6.596 136 HE2 HIS 16 HE2 HIS 16 -8.766 -2.554 4.177 137 H SER 17 HN SER 17 -4.710 -7.217 8.518 138 HA SER 17 HA SER 17 -4.614 -10.040 8.027 139 HB2 SER 17 HB2 SER 17 -3.564 -8.413 10.356 140 HB3 SER 17 HB1 SER 17 -3.194 -10.111 10.051 141 HG SER 17 HG SER 17 -2.741 -8.463 7.903 142 H THR 18 HN THR 18 -5.241 -8.562 11.181 143 HA THR 18 HA THR 18 -6.508 -9.358 12.925 144 HB THR 18 HB THR 18 -8.010 -7.787 11.753 145 HG1 THR 18 HG1 THR 18 -8.949 -8.534 13.567 146 HG21 THR 18 HG21 THR 18 -9.825 -8.667 10.342 147 HG22 THR 18 HG22 THR 18 -9.090 -10.268 10.410 148 HG23 THR 18 HG23 THR 18 -8.240 -8.941 9.619 149 H SER 19 HN SER 19 -5.297 -11.482 11.384 150 HA SER 19 HA SER 19 -7.276 -13.579 11.168 151 HB2 SER 19 HB2 SER 19 -5.334 -13.389 9.599 152 HB3 SER 19 HB1 SER 19 -4.264 -13.781 10.946 153 HG SER 19 HG SER 19 -5.535 -15.460 9.371 154 H ILE 20 HN ILE 20 -6.520 -15.786 12.162 155 HA ILE 20 HA ILE 20 -6.708 -15.503 14.981 156 HB ILE 20 HB ILE 20 -6.470 -17.962 15.051 157 HG12 ILE 20 HG12 ILE 20 -6.158 -17.743 12.046 158 HG13 ILE 20 HG11 ILE 20 -4.855 -18.139 13.162 159 HG21 ILE 20 HG21 ILE 20 -8.652 -16.949 14.678 160 HG22 ILE 20 HG22 ILE 20 -8.512 -18.471 13.798 161 HG23 ILE 20 HG23 ILE 20 -8.364 -16.938 12.937 162 HD11 ILE 20 HD11 ILE 20 -5.718 -20.133 12.104 163 HD12 ILE 20 HD12 ILE 20 -7.339 -19.768 12.691 164 HD13 ILE 20 HD13 ILE 20 -6.055 -20.160 13.834 165 H GLY 21 HN GLY 21 -5.179 -16.952 16.386 166 HA2 GLY 21 HA2 GLY 21 -2.918 -17.682 16.774 167 HA3 GLY 21 HA1 GLY 21 -2.381 -16.514 15.576 168 H LYS 22 HN LYS 22 -4.656 -14.925 17.277 169 HA LYS 22 HA LYS 22 -2.943 -14.175 19.517 170 HB2 LYS 22 HB1 LYS 22 -2.296 -12.666 17.687 171 HB3 LYS 22 HB2 LYS 22 -3.974 -12.177 17.495 172 HG2 LYS 22 HG1 LYS 22 -3.962 -11.227 19.743 173 HG3 LYS 22 HG2 LYS 22 -2.281 -11.725 19.945 174 HD2 LYS 22 HD2 LYS 22 -2.332 -9.395 19.356 175 HD3 LYS 22 HD1 LYS 22 -1.682 -10.310 17.994 176 HE2 LYS 22 HE2 LYS 22 -3.260 -8.613 17.237 177 HE3 LYS 22 HE1 LYS 22 -3.860 -10.236 16.896 178 HZ1 LYS 22 HZ1 LYS 22 -5.603 -8.822 17.777 179 HZ2 LYS 22 HZ2 LYS 22 -4.697 -8.524 19.175 180 HZ3 LYS 22 HZ3 LYS 22 -5.269 -10.083 18.856
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