NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16192 | 1zr7 | 6721 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 10 H GLY 10 1.811 -0.001 0.854 2 1HA GLY 10 2HA GLY 10 1.391 0.212 -2.058 3 2HA GLY 10 3HA GLY 10 2.820 0.779 -1.207 4 H SER 11 H SER 11 1.005 -2.184 -1.947 5 HA SER 11 HA SER 11 3.553 -3.548 -2.405 6 1HB SER 11 2HB SER 11 1.539 -4.243 -0.330 7 2HB SER 11 3HB SER 11 2.261 -5.579 -1.226 8 HG SER 11 HG SER 11 4.325 -4.354 -0.670 9 H TRP 12 H TRP 12 1.234 -2.507 -4.009 10 HA TRP 12 HA TRP 12 0.164 -4.980 -5.143 11 1HB TRP 12 2HB TRP 12 -0.511 -2.085 -5.704 12 2HB TRP 12 3HB TRP 12 -1.296 -3.466 -6.464 13 HD1 TRP 12 HD1 TRP 12 -0.730 -2.144 -2.852 14 HE1 TRP 12 HE1 TRP 12 -2.848 -2.665 -1.484 15 HE3 TRP 12 HE3 TRP 12 -3.408 -4.639 -6.421 16 HZ2 TRP 12 HZ2 TRP 12 -5.325 -3.963 -1.867 17 HZ3 TRP 12 HZ3 TRP 12 -5.643 -5.489 -5.839 18 HH2 TRP 12 HH2 TRP 12 -6.580 -5.157 -3.609 19 H THR 13 H THR 13 1.192 -5.918 -6.767 20 HA THR 13 HA THR 13 3.075 -4.366 -8.375 21 HB THR 13 HB THR 13 3.914 -6.499 -9.188 22 HG1 THR 13 HG1 THR 13 2.055 -7.819 -7.499 23 1HG2 THR 13 1HG2 THR 13 4.523 -7.543 -6.943 24 2HG2 THR 13 2HG2 THR 13 3.530 -6.283 -6.212 25 3HG2 THR 13 3HG2 THR 13 4.945 -5.846 -7.169 26 H GLU 14 H GLU 14 2.829 -3.959 -10.509 27 HA GLU 14 HA GLU 14 0.232 -4.578 -11.680 28 1HB GLU 14 2HB GLU 14 1.691 -2.292 -11.693 29 2HB GLU 14 3HB GLU 14 2.185 -2.991 -13.228 30 1HG GLU 14 2HG GLU 14 -0.063 -3.043 -14.014 31 2HG GLU 14 3HG GLU 14 -0.685 -2.594 -12.427 32 H HIS 15 H HIS 15 0.095 -6.468 -12.699 33 HA HIS 15 HA HIS 15 2.224 -7.171 -14.603 34 1HB HIS 15 2HB HIS 15 1.328 -8.675 -12.289 35 2HB HIS 15 3HB HIS 15 1.119 -9.600 -13.774 36 HD1 HIS 15 HD1 HIS 15 3.350 -9.756 -11.303 37 HD2 HIS 15 HD2 HIS 15 3.886 -8.741 -15.296 38 HE1 HIS 15 HE1 HIS 15 5.779 -10.192 -11.787 39 H LYS 16 H LYS 16 1.517 -7.560 -16.598 40 HA LYS 16 HA LYS 16 -1.374 -7.755 -17.030 41 1HB LYS 16 2HB LYS 16 -0.747 -7.285 -19.431 42 2HB LYS 16 3HB LYS 16 -0.400 -5.991 -18.291 43 1HG LYS 16 2HG LYS 16 1.930 -6.549 -18.272 44 2HG LYS 16 3HG LYS 16 1.637 -7.988 -19.251 45 1HD LYS 16 2HD LYS 16 0.921 -5.237 -20.224 46 2HD LYS 16 3HD LYS 16 2.540 -5.907 -20.438 47 1HE LYS 16 2HE LYS 16 1.195 -7.957 -21.400 48 2HE LYS 16 3HE LYS 16 -0.045 -6.733 -21.669 49 1HZ LYS 16 1HZ LYS 16 2.707 -6.211 -22.558 50 2HZ LYS 16 2HZ LYS 16 1.249 -5.625 -23.183 51 3HZ LYS 16 3HZ LYS 16 1.719 -7.221 -23.489 52 H SER 17 H SER 17 -2.330 -9.457 -18.048 53 HA SER 17 HA SER 17 -1.082 -11.974 -17.937 54 1HB SER 17 2HB SER 17 -3.169 -12.747 -18.280 55 2HB SER 17 3HB SER 17 -3.676 -11.058 -18.255 56 HG SER 17 HG SER 17 -4.138 -12.564 -20.185 57 HA PRO 18 HA PRO 18 0.961 -12.495 -21.783 58 1HB PRO 18 2HB PRO 18 0.282 -15.024 -22.500 59 2HB PRO 18 3HB PRO 18 1.388 -14.667 -21.169 60 1HG PRO 18 2HG PRO 18 -1.524 -15.353 -21.079 61 2HG PRO 18 3HG PRO 18 -0.206 -15.932 -20.043 62 1HD PRO 18 2HD PRO 18 -1.917 -13.980 -19.270 63 2HD PRO 18 3HD PRO 18 -0.222 -14.027 -18.745 64 H ASP 19 H ASP 19 -2.373 -12.317 -21.641 65 HA ASP 19 HA ASP 19 -2.696 -12.584 -24.548 66 1HB ASP 19 2HB ASP 19 -4.246 -13.843 -23.013 67 2HB ASP 19 3HB ASP 19 -4.872 -12.288 -22.473 68 H GLY 20 H GLY 20 -2.056 -10.270 -22.279 69 1HA GLY 20 2HA GLY 20 -1.770 -7.984 -22.832 70 2HA GLY 20 3HA GLY 20 -2.987 -8.162 -24.088 71 H ARG 21 H ARG 21 -2.944 -8.798 -20.579 72 HA ARG 21 HA ARG 21 -5.152 -6.889 -20.278 73 1HB ARG 21 2HB ARG 21 -5.955 -9.305 -20.438 74 2HB ARG 21 3HB ARG 21 -5.150 -9.568 -18.897 75 1HG ARG 21 2HG ARG 21 -7.439 -9.169 -18.440 76 2HG ARG 21 3HG ARG 21 -6.553 -7.724 -17.950 77 1HD ARG 21 2HD ARG 21 -7.258 -6.529 -19.868 78 2HD ARG 21 3HD ARG 21 -7.861 -7.993 -20.644 79 HE ARG 21 HE ARG 21 -9.344 -7.817 -18.382 80 1HH1 ARG 21 2HH1 ARG 21 -8.649 -5.617 -20.989 81 2HH1 ARG 21 1HH1 ARG 21 -10.168 -4.791 -20.870 82 1HH2 ARG 21 2HH2 ARG 21 -11.347 -6.738 -18.216 83 2HH2 ARG 21 1HH2 ARG 21 -11.701 -5.429 -19.292 84 H THR 22 H THR 22 -4.040 -5.371 -19.159 85 HA THR 22 HA THR 22 -2.094 -5.928 -17.180 86 HB THR 22 HB THR 22 -3.666 -3.363 -17.311 87 HG1 THR 22 HG1 THR 22 -3.051 -3.609 -19.406 88 1HG2 THR 22 1HG2 THR 22 -2.198 -2.988 -15.632 89 2HG2 THR 22 2HG2 THR 22 -1.067 -2.702 -16.956 90 3HG2 THR 22 3HG2 THR 22 -1.111 -4.273 -16.156 91 H TYR 23 H TYR 23 -2.519 -6.902 -15.312 92 HA TYR 23 HA TYR 23 -4.931 -6.084 -13.830 93 1HB TYR 23 2HB TYR 23 -5.081 -8.357 -12.927 94 2HB TYR 23 3HB TYR 23 -5.180 -8.372 -14.684 95 HD1 TYR 23 HD1 TYR 23 -3.652 -9.622 -15.969 96 HD2 TYR 23 HD2 TYR 23 -2.887 -8.980 -11.833 97 HE1 TYR 23 HE1 TYR 23 -1.810 -11.249 -16.063 98 HE2 TYR 23 HE2 TYR 23 -1.042 -10.605 -11.916 99 HH TYR 23 HH TYR 23 0.088 -11.950 -14.929 100 H TYR 24 H TYR 24 -4.753 -5.913 -11.583 101 HA TYR 24 HA TYR 24 -2.002 -5.549 -10.639 102 1HB TYR 24 2HB TYR 24 -4.570 -4.607 -9.351 103 2HB TYR 24 3HB TYR 24 -2.933 -4.136 -8.908 104 HD1 TYR 24 HD1 TYR 24 -1.817 -2.378 -10.041 105 HD2 TYR 24 HD2 TYR 24 -5.508 -3.863 -11.551 106 HE1 TYR 24 HE1 TYR 24 -1.938 -0.478 -11.598 107 HE2 TYR 24 HE2 TYR 24 -5.638 -1.968 -13.113 108 HH TYR 24 HH TYR 24 -4.611 -0.169 -13.915 109 H TYR 25 H TYR 25 -1.173 -6.646 -8.934 110 HA TYR 25 HA TYR 25 -2.934 -8.550 -7.543 111 1HB TYR 25 2HB TYR 25 -1.650 -9.785 -9.211 112 2HB TYR 25 3HB TYR 25 -0.150 -9.104 -8.591 113 HD1 TYR 25 HD1 TYR 25 0.663 -9.771 -6.333 114 HD2 TYR 25 HD2 TYR 25 -2.674 -11.665 -8.172 115 HE1 TYR 25 HE1 TYR 25 0.873 -11.653 -4.763 116 HE2 TYR 25 HE2 TYR 25 -2.474 -13.551 -6.607 117 HH TYR 25 HH TYR 25 -1.063 -14.556 -5.105 118 H ASN 26 H ASN 26 -2.933 -8.184 -5.436 119 HA ASN 26 HA ASN 26 -0.907 -6.536 -4.215 120 1HB ASN 26 2HB ASN 26 -3.327 -6.361 -3.629 121 2HB ASN 26 3HB ASN 26 -3.231 -7.964 -2.907 122 1HD2 ASN 26 1HD2 ASN 26 -1.072 -5.154 -2.825 123 2HD2 ASN 26 2HD2 ASN 26 -1.029 -5.023 -1.102 124 H THR 27 H THR 27 0.865 -7.225 -3.220 125 HA THR 27 HA THR 27 1.360 -10.054 -2.943 126 HB THR 27 HB THR 27 3.605 -9.496 -2.416 127 HG1 THR 27 HG1 THR 27 4.188 -7.316 -1.897 128 1HG2 THR 27 1HG2 THR 27 4.132 -8.706 -4.446 129 2HG2 THR 27 2HG2 THR 27 3.301 -7.177 -4.158 130 3HG2 THR 27 3HG2 THR 27 2.395 -8.582 -4.717 131 H GLU 28 H GLU 28 0.084 -7.603 -0.980 132 HA GLU 28 HA GLU 28 0.968 -8.693 1.541 133 1HB GLU 28 2HB GLU 28 0.297 -6.231 0.945 134 2HB GLU 28 3HB GLU 28 -1.334 -6.796 1.279 135 1HG GLU 28 2HG GLU 28 -0.293 -5.726 3.220 136 2HG GLU 28 3HG GLU 28 -0.712 -7.412 3.523 137 H THR 29 H THR 29 -1.991 -8.710 -0.390 138 HA THR 29 HA THR 29 -3.178 -10.623 1.502 139 HB THR 29 HB THR 29 -5.335 -10.104 0.525 140 HG1 THR 29 HG1 THR 29 -4.666 -9.700 -1.624 141 1HG2 THR 29 1HG2 THR 29 -4.528 -8.628 2.306 142 2HG2 THR 29 2HG2 THR 29 -5.530 -7.745 1.154 143 3HG2 THR 29 3HG2 THR 29 -3.775 -7.583 1.103 144 H LYS 30 H LYS 30 -1.478 -10.577 -1.320 145 HA LYS 30 HA LYS 30 -1.119 -12.058 -3.009 146 1HB LYS 30 2HB LYS 30 -2.544 -14.015 -1.199 147 2HB LYS 30 3HB LYS 30 -1.441 -14.410 -2.511 148 1HG LYS 30 2HG LYS 30 -0.611 -12.806 -0.111 149 2HG LYS 30 3HG LYS 30 -0.500 -14.566 -0.182 150 1HD LYS 30 2HD LYS 30 0.674 -13.029 -2.432 151 2HD LYS 30 3HD LYS 30 1.519 -12.976 -0.883 152 1HE LYS 30 2HE LYS 30 2.490 -14.796 -1.950 153 2HE LYS 30 3HE LYS 30 1.272 -15.544 -0.918 154 1HZ LYS 30 1HZ LYS 30 0.589 -14.830 -3.688 155 2HZ LYS 30 2HZ LYS 30 -0.065 -16.039 -2.702 156 3HZ LYS 30 3HZ LYS 30 1.468 -16.244 -3.386 157 H GLN 31 H GLN 31 -3.463 -10.464 -3.192 158 HA GLN 31 HA GLN 31 -5.320 -12.289 -4.569 159 1HB GLN 31 2HB GLN 31 -5.815 -9.561 -3.366 160 2HB GLN 31 3HB GLN 31 -6.997 -10.458 -4.311 161 1HG GLN 31 2HG GLN 31 -5.764 -11.747 -1.927 162 2HG GLN 31 3HG GLN 31 -7.026 -10.537 -1.702 163 1HE2 GLN 31 1HE2 GLN 31 -6.434 -13.754 -2.070 164 2HE2 GLN 31 2HE2 GLN 31 -7.997 -14.276 -2.590 165 H SER 32 H SER 32 -6.498 -11.207 -6.434 166 HA SER 32 HA SER 32 -4.788 -9.319 -7.885 167 1HB SER 32 2HB SER 32 -4.354 -10.698 -9.635 168 2HB SER 32 3HB SER 32 -4.651 -11.976 -8.457 169 HG SER 32 HG SER 32 -6.811 -12.045 -9.185 170 H THR 33 H THR 33 -5.854 -8.045 -9.416 171 HA THR 33 HA THR 33 -8.717 -8.396 -9.792 172 HB THR 33 HB THR 33 -8.532 -7.045 -7.720 173 HG1 THR 33 HG1 THR 33 -10.353 -6.415 -8.626 174 1HG2 THR 33 1HG2 THR 33 -7.733 -4.701 -7.931 175 2HG2 THR 33 2HG2 THR 33 -7.125 -5.089 -9.541 176 3HG2 THR 33 3HG2 THR 33 -6.449 -5.893 -8.125 177 H TRP 34 H TRP 34 -9.600 -6.770 -11.345 178 HA TRP 34 HA TRP 34 -7.614 -6.278 -13.436 179 1HB TRP 34 2HB TRP 34 -10.628 -6.125 -13.624 180 2HB TRP 34 3HB TRP 34 -9.485 -6.113 -14.964 181 HD1 TRP 34 HD1 TRP 34 -11.577 -8.419 -12.961 182 HE1 TRP 34 HE1 TRP 34 -11.017 -10.865 -13.531 183 HE3 TRP 34 HE3 TRP 34 -7.253 -7.671 -15.584 184 HZ2 TRP 34 HZ2 TRP 34 -9.008 -12.290 -14.910 185 HZ3 TRP 34 HZ3 TRP 34 -6.073 -9.629 -16.495 186 HH2 TRP 34 HH2 TRP 34 -6.934 -11.889 -16.163 187 H GLU 35 H GLU 35 -9.385 -4.628 -11.059 188 HA GLU 35 HA GLU 35 -9.096 -2.063 -12.465 189 1HB GLU 35 2HB GLU 35 -10.610 -1.183 -10.677 190 2HB GLU 35 3HB GLU 35 -11.340 -2.410 -11.703 191 1HG GLU 35 2HG GLU 35 -10.047 -3.340 -9.213 192 2HG GLU 35 3HG GLU 35 -11.544 -2.425 -9.050 193 H LYS 36 H LYS 36 -8.172 -0.266 -11.379 194 HA LYS 36 HA LYS 36 -5.773 -0.716 -10.095 195 1HB LYS 36 2HB LYS 36 -7.471 1.589 -10.647 196 2HB LYS 36 3HB LYS 36 -6.554 1.775 -9.157 197 1HG LYS 36 2HG LYS 36 -4.685 0.807 -10.935 198 2HG LYS 36 3HG LYS 36 -5.669 1.895 -11.918 199 1HD LYS 36 2HD LYS 36 -5.387 3.523 -9.902 200 2HD LYS 36 3HD LYS 36 -4.008 2.495 -9.504 201 1HE LYS 36 2HE LYS 36 -2.931 2.985 -11.547 202 2HE LYS 36 3HE LYS 36 -4.393 3.690 -12.236 203 1HZ LYS 36 1HZ LYS 36 -4.205 5.561 -10.828 204 2HZ LYS 36 2HZ LYS 36 -2.668 5.316 -11.488 205 3HZ LYS 36 3HZ LYS 36 -2.989 4.846 -9.895 206 HA PRO 37 HA PRO 37 -6.581 -1.574 -5.868 207 1HB PRO 37 2HB PRO 37 -4.580 -0.227 -4.623 208 2HB PRO 37 3HB PRO 37 -4.307 -1.698 -5.564 209 1HG PRO 37 2HG PRO 37 -3.913 1.161 -6.360 210 2HG PRO 37 3HG PRO 37 -2.869 -0.240 -6.664 211 1HD PRO 37 2HD PRO 37 -4.540 0.767 -8.542 212 2HD PRO 37 3HD PRO 37 -4.142 -0.961 -8.446 213 H ASP 38 H ASP 38 -6.677 1.647 -7.026 214 HA ASP 38 HA ASP 38 -7.885 2.594 -4.515 215 1HB ASP 38 2HB ASP 38 -7.543 4.890 -5.575 216 2HB ASP 38 3HB ASP 38 -6.090 4.027 -5.080 217 H ASP 39 H ASP 39 -9.455 0.953 -6.048 218 HA ASP 39 HA ASP 39 -11.100 2.443 -7.861 219 1HB ASP 39 2HB ASP 39 -10.672 -0.131 -7.744 220 2HB ASP 39 3HB ASP 39 -11.974 -0.115 -6.558 Start of MODEL 2 1 1H GLY 10 H GLY 10 2.729 0.745 -2.765 2 1HA GLY 10 2HA GLY 10 2.415 0.089 -0.105 3 2HA GLY 10 3HA GLY 10 0.978 -0.530 -0.905 4 H SER 11 H SER 11 1.081 -2.509 -1.739 5 HA SER 11 HA SER 11 3.694 -3.593 -2.515 6 1HB SER 11 2HB SER 11 1.854 -5.469 -1.134 7 2HB SER 11 3HB SER 11 3.615 -5.394 -1.110 8 HG SER 11 HG SER 11 2.068 -3.392 0.131 9 H TRP 12 H TRP 12 1.322 -2.598 -3.974 10 HA TRP 12 HA TRP 12 0.256 -5.029 -5.193 11 1HB TRP 12 2HB TRP 12 -0.441 -2.115 -5.617 12 2HB TRP 12 3HB TRP 12 -1.229 -3.463 -6.433 13 HD1 TRP 12 HD1 TRP 12 -0.630 -2.294 -2.774 14 HE1 TRP 12 HE1 TRP 12 -2.723 -2.901 -1.403 15 HE3 TRP 12 HE3 TRP 12 -3.322 -4.675 -6.411 16 HZ2 TRP 12 HZ2 TRP 12 -5.188 -4.215 -1.810 17 HZ3 TRP 12 HZ3 TRP 12 -5.537 -5.578 -5.838 18 HH2 TRP 12 HH2 TRP 12 -6.449 -5.352 -3.585 19 H THR 13 H THR 13 1.297 -5.905 -6.845 20 HA THR 13 HA THR 13 3.111 -4.271 -8.449 21 HB THR 13 HB THR 13 3.983 -6.362 -9.331 22 HG1 THR 13 HG1 THR 13 2.333 -7.773 -9.436 23 1HG2 THR 13 1HG2 THR 13 4.754 -5.518 -7.100 24 2HG2 THR 13 2HG2 THR 13 4.959 -7.254 -7.332 25 3HG2 THR 13 3HG2 THR 13 3.627 -6.647 -6.349 26 H GLU 14 H GLU 14 2.849 -3.866 -10.591 27 HA GLU 14 HA GLU 14 0.230 -4.481 -11.719 28 1HB GLU 14 2HB GLU 14 1.657 -2.180 -11.722 29 2HB GLU 14 3HB GLU 14 2.148 -2.852 -13.270 30 1HG GLU 14 2HG GLU 14 -0.557 -3.200 -13.334 31 2HG GLU 14 3HG GLU 14 -0.395 -1.682 -12.451 32 H HIS 15 H HIS 15 0.071 -6.331 -12.798 33 HA HIS 15 HA HIS 15 2.180 -6.998 -14.736 34 1HB HIS 15 2HB HIS 15 1.254 -8.581 -12.458 35 2HB HIS 15 3HB HIS 15 1.172 -9.459 -13.983 36 HD1 HIS 15 HD1 HIS 15 3.258 -9.674 -11.424 37 HD2 HIS 15 HD2 HIS 15 3.985 -8.345 -15.292 38 HE1 HIS 15 HE1 HIS 15 5.731 -9.960 -11.779 39 H LYS 16 H LYS 16 1.434 -7.317 -16.726 40 HA LYS 16 HA LYS 16 -1.460 -7.548 -17.110 41 1HB LYS 16 2HB LYS 16 -0.886 -7.003 -19.508 42 2HB LYS 16 3HB LYS 16 -0.533 -5.737 -18.339 43 1HG LYS 16 2HG LYS 16 1.803 -6.261 -18.383 44 2HG LYS 16 3HG LYS 16 1.510 -7.680 -19.390 45 1HD LYS 16 2HD LYS 16 0.878 -4.851 -20.221 46 2HD LYS 16 3HD LYS 16 2.369 -5.698 -20.639 47 1HE LYS 16 2HE LYS 16 0.907 -7.492 -21.659 48 2HE LYS 16 3HE LYS 16 -0.446 -6.379 -21.459 49 1HZ LYS 16 1HZ LYS 16 0.285 -6.005 -23.615 50 2HZ LYS 16 2HZ LYS 16 1.922 -6.102 -23.200 51 3HZ LYS 16 3HZ LYS 16 1.013 -4.749 -22.747 52 H SER 17 H SER 17 -2.412 -9.243 -18.138 53 HA SER 17 HA SER 17 -1.119 -11.739 -18.130 54 1HB SER 17 2HB SER 17 -3.283 -12.326 -18.146 55 2HB SER 17 3HB SER 17 -3.763 -10.721 -18.696 56 HG SER 17 HG SER 17 -4.336 -12.365 -20.191 57 HA PRO 18 HA PRO 18 0.829 -12.119 -22.041 58 1HB PRO 18 2HB PRO 18 0.178 -14.642 -22.805 59 2HB PRO 18 3HB PRO 18 1.314 -14.298 -21.495 60 1HG PRO 18 2HG PRO 18 -1.582 -15.043 -21.345 61 2HG PRO 18 3HG PRO 18 -0.225 -15.621 -20.361 62 1HD PRO 18 2HD PRO 18 -1.951 -13.724 -19.492 63 2HD PRO 18 3HD PRO 18 -0.241 -13.751 -19.014 64 H ASP 19 H ASP 19 -2.500 -12.002 -21.805 65 HA ASP 19 HA ASP 19 -2.900 -12.205 -24.708 66 1HB ASP 19 2HB ASP 19 -4.385 -13.531 -23.169 67 2HB ASP 19 3HB ASP 19 -5.020 -12.003 -22.564 68 H GLY 20 H GLY 20 -2.237 -9.937 -22.401 69 1HA GLY 20 2HA GLY 20 -2.005 -7.633 -22.904 70 2HA GLY 20 3HA GLY 20 -3.254 -7.801 -24.129 71 H ARG 21 H ARG 21 -3.102 -8.524 -20.641 72 HA ARG 21 HA ARG 21 -5.335 -6.663 -20.232 73 1HB ARG 21 2HB ARG 21 -6.110 -9.079 -20.429 74 2HB ARG 21 3HB ARG 21 -5.241 -9.382 -18.930 75 1HG ARG 21 2HG ARG 21 -7.542 -9.033 -18.412 76 2HG ARG 21 3HG ARG 21 -6.630 -7.635 -17.839 77 1HD ARG 21 2HD ARG 21 -8.698 -6.946 -18.931 78 2HD ARG 21 3HD ARG 21 -7.289 -6.384 -19.829 79 HE ARG 21 HE ARG 21 -7.946 -7.679 -21.595 80 1HH1 ARG 21 2HH1 ARG 21 -9.627 -8.727 -18.733 81 2HH1 ARG 21 1HH1 ARG 21 -10.666 -9.820 -19.585 82 1HH2 ARG 21 2HH2 ARG 21 -9.309 -9.113 -22.729 83 2HH2 ARG 21 1HH2 ARG 21 -10.484 -10.039 -21.859 84 H THR 22 H THR 22 -4.198 -5.153 -19.120 85 HA THR 22 HA THR 22 -2.199 -5.728 -17.200 86 HB THR 22 HB THR 22 -3.808 -3.180 -17.279 87 HG1 THR 22 HG1 THR 22 -1.473 -3.604 -18.820 88 1HG2 THR 22 1HG2 THR 22 -2.359 -2.739 -15.615 89 2HG2 THR 22 2HG2 THR 22 -1.177 -2.541 -16.908 90 3HG2 THR 22 3HG2 THR 22 -1.300 -4.079 -16.054 91 H TYR 23 H TYR 23 -2.608 -6.801 -15.378 92 HA TYR 23 HA TYR 23 -4.978 -6.019 -13.810 93 1HB TYR 23 2HB TYR 23 -5.077 -8.312 -12.950 94 2HB TYR 23 3HB TYR 23 -5.215 -8.292 -14.705 95 HD1 TYR 23 HD1 TYR 23 -3.698 -9.492 -16.049 96 HD2 TYR 23 HD2 TYR 23 -2.853 -8.930 -11.918 97 HE1 TYR 23 HE1 TYR 23 -1.837 -11.091 -16.219 98 HE2 TYR 23 HE2 TYR 23 -0.989 -10.526 -12.076 99 HH TYR 23 HH TYR 23 -0.288 -12.401 -13.500 100 H TYR 24 H TYR 24 -4.754 -5.917 -11.556 101 HA TYR 24 HA TYR 24 -1.987 -5.524 -10.668 102 1HB TYR 24 2HB TYR 24 -4.545 -4.645 -9.315 103 2HB TYR 24 3HB TYR 24 -2.907 -4.173 -8.876 104 HD1 TYR 24 HD1 TYR 24 -5.504 -3.857 -11.496 105 HD2 TYR 24 HD2 TYR 24 -1.825 -2.368 -9.962 106 HE1 TYR 24 HE1 TYR 24 -5.667 -1.920 -13.002 107 HE2 TYR 24 HE2 TYR 24 -1.978 -0.426 -11.463 108 HH TYR 24 HH TYR 24 -3.230 -0.026 -13.831 109 H TYR 25 H TYR 25 -1.099 -6.662 -9.026 110 HA TYR 25 HA TYR 25 -2.801 -8.637 -7.656 111 1HB TYR 25 2HB TYR 25 -1.513 -9.830 -9.319 112 2HB TYR 25 3HB TYR 25 -0.026 -9.056 -8.782 113 HD1 TYR 25 HD1 TYR 25 -2.421 -11.717 -8.157 114 HD2 TYR 25 HD2 TYR 25 0.989 -9.689 -6.620 115 HE1 TYR 25 HE1 TYR 25 -2.031 -13.573 -6.591 116 HE2 TYR 25 HE2 TYR 25 1.389 -11.540 -5.051 117 HH TYR 25 HH TYR 25 0.558 -14.317 -5.230 118 H ASN 26 H ASN 26 -2.819 -8.293 -5.545 119 HA ASN 26 HA ASN 26 -0.835 -6.626 -4.287 120 1HB ASN 26 2HB ASN 26 -3.226 -6.477 -3.675 121 2HB ASN 26 3HB ASN 26 -3.160 -8.127 -3.062 122 1HD2 ASN 26 1HD2 ASN 26 -0.988 -5.340 -2.758 123 2HD2 ASN 26 2HD2 ASN 26 -0.962 -5.334 -1.030 124 H THR 27 H THR 27 0.972 -7.304 -3.355 125 HA THR 27 HA THR 27 1.500 -10.131 -3.087 126 HB THR 27 HB THR 27 3.756 -9.546 -2.608 127 HG1 THR 27 HG1 THR 27 4.293 -7.283 -2.238 128 1HG2 THR 27 1HG2 THR 27 3.324 -7.279 -4.417 129 2HG2 THR 27 2HG2 THR 27 2.517 -8.766 -4.915 130 3HG2 THR 27 3HG2 THR 27 4.261 -8.754 -4.652 131 H GLU 28 H GLU 28 0.141 -7.771 -1.132 132 HA GLU 28 HA GLU 28 1.161 -8.754 1.386 133 1HB GLU 28 2HB GLU 28 0.348 -6.346 0.793 134 2HB GLU 28 3HB GLU 28 -1.252 -6.993 1.127 135 1HG GLU 28 2HG GLU 28 -0.377 -5.900 3.084 136 2HG GLU 28 3HG GLU 28 -0.513 -7.634 3.374 137 H THR 29 H THR 29 -1.794 -9.031 -0.516 138 HA THR 29 HA THR 29 -2.813 -10.996 1.427 139 HB THR 29 HB THR 29 -5.034 -10.577 0.610 140 HG1 THR 29 HG1 THR 29 -3.665 -9.147 -1.405 141 1HG2 THR 29 1HG2 THR 29 -5.248 -8.117 1.063 142 2HG2 THR 29 2HG2 THR 29 -3.486 -8.034 1.101 143 3HG2 THR 29 3HG2 THR 29 -4.349 -9.014 2.286 144 H LYS 30 H LYS 30 -1.328 -10.743 -1.540 145 HA LYS 30 HA LYS 30 -0.898 -12.221 -3.214 146 1HB LYS 30 2HB LYS 30 -2.290 -14.306 -1.536 147 2HB LYS 30 3HB LYS 30 -1.058 -14.561 -2.764 148 1HG LYS 30 2HG LYS 30 0.391 -14.637 -1.082 149 2HG LYS 30 3HG LYS 30 0.190 -12.887 -0.975 150 1HD LYS 30 2HD LYS 30 -1.090 -13.013 0.895 151 2HD LYS 30 3HD LYS 30 -1.833 -14.540 0.413 152 1HE LYS 30 2HE LYS 30 1.047 -14.382 1.242 153 2HE LYS 30 3HE LYS 30 -0.246 -14.552 2.429 154 1HZ LYS 30 1HZ LYS 30 -0.735 -16.442 0.472 155 2HZ LYS 30 2HZ LYS 30 -0.184 -16.718 2.048 156 3HZ LYS 30 3HZ LYS 30 0.926 -16.532 0.785 157 H GLN 31 H GLN 31 -3.259 -10.669 -3.353 158 HA GLN 31 HA GLN 31 -5.095 -12.496 -4.755 159 1HB GLN 31 2HB GLN 31 -5.638 -9.826 -3.449 160 2HB GLN 31 3HB GLN 31 -6.809 -10.703 -4.427 161 1HG GLN 31 2HG GLN 31 -6.105 -12.615 -2.651 162 2HG GLN 31 3HG GLN 31 -5.923 -11.163 -1.668 163 1HE2 GLN 31 1HE2 GLN 31 -8.206 -12.261 -4.158 164 2HE2 GLN 31 2HE2 GLN 31 -9.630 -11.934 -3.238 165 H SER 32 H SER 32 -6.324 -11.376 -6.568 166 HA SER 32 HA SER 32 -4.662 -9.416 -7.980 167 1HB SER 32 2HB SER 32 -4.399 -10.685 -9.892 168 2HB SER 32 3HB SER 32 -4.339 -11.951 -8.667 169 HG SER 32 HG SER 32 -5.990 -12.785 -9.639 170 H THR 33 H THR 33 -5.768 -8.118 -9.470 171 HA THR 33 HA THR 33 -8.636 -8.482 -9.794 172 HB THR 33 HB THR 33 -8.415 -7.178 -7.695 173 HG1 THR 33 HG1 THR 33 -10.215 -6.322 -8.381 174 1HG2 THR 33 1HG2 THR 33 -7.099 -5.138 -9.493 175 2HG2 THR 33 2HG2 THR 33 -6.337 -6.006 -8.160 176 3HG2 THR 33 3HG2 THR 33 -7.623 -4.844 -7.835 177 H TRP 34 H TRP 34 -9.557 -6.745 -11.245 178 HA TRP 34 HA TRP 34 -7.625 -6.220 -13.385 179 1HB TRP 34 2HB TRP 34 -10.641 -6.049 -13.506 180 2HB TRP 34 3HB TRP 34 -9.522 -6.031 -14.866 181 HD1 TRP 34 HD1 TRP 34 -11.616 -8.340 -12.879 182 HE1 TRP 34 HE1 TRP 34 -11.088 -10.785 -13.486 183 HE3 TRP 34 HE3 TRP 34 -7.301 -7.607 -15.520 184 HZ2 TRP 34 HZ2 TRP 34 -9.105 -12.214 -14.897 185 HZ3 TRP 34 HZ3 TRP 34 -6.149 -9.566 -16.465 186 HH2 TRP 34 HH2 TRP 34 -7.034 -11.820 -16.158 187 H GLU 35 H GLU 35 -9.385 -4.641 -10.937 188 HA GLU 35 HA GLU 35 -9.091 -2.036 -12.267 189 1HB GLU 35 2HB GLU 35 -10.718 -1.172 -10.739 190 2HB GLU 35 3HB GLU 35 -11.347 -2.677 -11.393 191 1HG GLU 35 2HG GLU 35 -10.636 -3.840 -9.347 192 2HG GLU 35 3HG GLU 35 -10.078 -2.302 -8.690 193 H LYS 36 H LYS 36 -8.147 -0.280 -11.145 194 HA LYS 36 HA LYS 36 -5.761 -0.778 -9.857 195 1HB LYS 36 2HB LYS 36 -7.438 1.553 -10.363 196 2HB LYS 36 3HB LYS 36 -6.522 1.698 -8.868 197 1HG LYS 36 2HG LYS 36 -4.654 0.757 -10.655 198 2HG LYS 36 3HG LYS 36 -5.631 1.860 -11.628 199 1HD LYS 36 2HD LYS 36 -5.354 3.474 -9.612 200 2HD LYS 36 3HD LYS 36 -3.998 2.428 -9.183 201 1HE LYS 36 2HE LYS 36 -3.239 4.321 -10.509 202 2HE LYS 36 3HE LYS 36 -3.011 2.811 -11.391 203 1HZ LYS 36 1HZ LYS 36 -3.974 4.738 -12.677 204 2HZ LYS 36 2HZ LYS 36 -5.394 4.521 -11.784 205 3HZ LYS 36 3HZ LYS 36 -4.823 3.278 -12.780 206 HA PRO 37 HA PRO 37 -6.600 -1.725 -5.655 207 1HB PRO 37 2HB PRO 37 -4.591 -0.427 -4.370 208 2HB PRO 37 3HB PRO 37 -4.329 -1.879 -5.343 209 1HG PRO 37 2HG PRO 37 -3.901 0.992 -6.073 210 2HG PRO 37 3HG PRO 37 -2.870 -0.412 -6.403 211 1HD PRO 37 2HD PRO 37 -4.521 0.654 -8.266 212 2HD PRO 37 3HD PRO 37 -4.141 -1.079 -8.206 213 H ASP 38 H ASP 38 -6.648 1.527 -6.737 214 HA ASP 38 HA ASP 38 -7.629 2.558 -4.190 215 1HB ASP 38 2HB ASP 38 -5.998 3.835 -5.658 216 2HB ASP 38 3HB ASP 38 -7.332 4.077 -6.782 217 H ASP 39 H ASP 39 -8.746 1.849 -7.447 218 HA ASP 39 HA ASP 39 -11.340 2.992 -7.094 219 1HB ASP 39 2HB ASP 39 -10.202 1.081 -9.135 220 2HB ASP 39 3HB ASP 39 -11.871 1.642 -9.180 Start of MODEL 3 1 1H GLY 10 H GLY 10 2.524 0.933 0.542 2 1HA GLY 10 2HA GLY 10 0.663 -0.920 -0.635 3 2HA GLY 10 3HA GLY 10 1.546 0.348 -1.472 4 H SER 11 H SER 11 1.066 -2.777 -1.639 5 HA SER 11 HA SER 11 3.765 -3.302 -2.652 6 1HB SER 11 2HB SER 11 2.221 -5.142 -0.809 7 2HB SER 11 3HB SER 11 3.685 -5.600 -1.680 8 HG SER 11 HG SER 11 3.653 -3.328 -0.014 9 H TRP 12 H TRP 12 1.229 -2.652 -3.932 10 HA TRP 12 HA TRP 12 0.273 -5.109 -5.118 11 1HB TRP 12 2HB TRP 12 -0.377 -2.209 -5.681 12 2HB TRP 12 3HB TRP 12 -1.154 -3.571 -6.484 13 HD1 TRP 12 HD1 TRP 12 -0.635 -2.360 -2.824 14 HE1 TRP 12 HE1 TRP 12 -2.785 -2.887 -1.512 15 HE3 TRP 12 HE3 TRP 12 -3.291 -4.689 -6.520 16 HZ2 TRP 12 HZ2 TRP 12 -5.277 -4.127 -1.980 17 HZ3 TRP 12 HZ3 TRP 12 -5.550 -5.517 -6.005 18 HH2 TRP 12 HH2 TRP 12 -6.521 -5.242 -3.782 19 H THR 13 H THR 13 1.250 -6.086 -6.752 20 HA THR 13 HA THR 13 3.166 -4.606 -8.384 21 HB THR 13 HB THR 13 3.898 -6.784 -9.214 22 HG1 THR 13 HG1 THR 13 2.051 -8.006 -9.215 23 1HG2 THR 13 1HG2 THR 13 5.205 -6.932 -7.417 24 2HG2 THR 13 2HG2 THR 13 3.885 -7.633 -6.480 25 3HG2 THR 13 3HG2 THR 13 4.088 -5.883 -6.546 26 H GLU 14 H GLU 14 2.999 -4.335 -10.574 27 HA GLU 14 HA GLU 14 0.347 -4.833 -11.712 28 1HB GLU 14 2HB GLU 14 1.833 -2.570 -11.721 29 2HB GLU 14 3HB GLU 14 2.335 -3.276 -13.251 30 1HG GLU 14 2HG GLU 14 0.031 -3.370 -13.995 31 2HG GLU 14 3HG GLU 14 -0.513 -2.735 -12.443 32 H HIS 15 H HIS 15 0.155 -6.689 -12.774 33 HA HIS 15 HA HIS 15 2.280 -7.440 -14.662 34 1HB HIS 15 2HB HIS 15 1.306 -8.948 -12.371 35 2HB HIS 15 3HB HIS 15 1.138 -9.852 -13.874 36 HD1 HIS 15 HD1 HIS 15 3.946 -7.603 -12.617 37 HD2 HIS 15 HD2 HIS 15 3.298 -11.465 -14.004 38 HE1 HIS 15 HE1 HIS 15 6.218 -8.678 -12.701 39 H LYS 16 H LYS 16 1.574 -7.809 -16.663 40 HA LYS 16 HA LYS 16 -1.319 -7.919 -17.111 41 1HB LYS 16 2HB LYS 16 -0.661 -7.468 -19.509 42 2HB LYS 16 3HB LYS 16 -0.286 -6.185 -18.367 43 1HG LYS 16 2HG LYS 16 2.032 -6.853 -18.313 44 2HG LYS 16 3HG LYS 16 1.686 -8.234 -19.357 45 1HD LYS 16 2HD LYS 16 1.303 -5.339 -20.120 46 2HD LYS 16 3HD LYS 16 2.682 -6.338 -20.584 47 1HE LYS 16 2HE LYS 16 1.437 -6.703 -22.432 48 2HE LYS 16 3HE LYS 16 0.669 -7.917 -21.410 49 1HZ LYS 16 1HZ LYS 16 -0.577 -5.838 -22.675 50 2HZ LYS 16 2HZ LYS 16 -0.500 -5.339 -21.061 51 3HZ LYS 16 3HZ LYS 16 -1.239 -6.808 -21.457 52 H SER 17 H SER 17 -2.320 -9.592 -18.131 53 HA SER 17 HA SER 17 -1.146 -12.145 -18.017 54 1HB SER 17 2HB SER 17 -3.274 -12.805 -18.282 55 2HB SER 17 3HB SER 17 -3.719 -11.105 -18.433 56 HG SER 17 HG SER 17 -4.160 -12.793 -20.228 57 HA PRO 18 HA PRO 18 0.895 -12.722 -21.856 58 1HB PRO 18 2HB PRO 18 0.150 -15.232 -22.573 59 2HB PRO 18 3HB PRO 18 1.262 -14.904 -21.239 60 1HG PRO 18 2HG PRO 18 -1.668 -15.512 -21.157 61 2HG PRO 18 3HG PRO 18 -0.369 -16.124 -20.117 62 1HD PRO 18 2HD PRO 18 -2.029 -14.127 -19.351 63 2HD PRO 18 3HD PRO 18 -0.337 -14.219 -18.821 64 H ASP 19 H ASP 19 -2.434 -12.454 -21.724 65 HA ASP 19 HA ASP 19 -2.759 -12.721 -24.631 66 1HB ASP 19 2HB ASP 19 -4.351 -13.923 -23.096 67 2HB ASP 19 3HB ASP 19 -4.926 -12.348 -22.557 68 H GLY 20 H GLY 20 -2.049 -10.416 -22.373 69 1HA GLY 20 2HA GLY 20 -1.690 -8.144 -22.936 70 2HA GLY 20 3HA GLY 20 -2.907 -8.289 -24.195 71 H ARG 21 H ARG 21 -2.898 -8.909 -20.683 72 HA ARG 21 HA ARG 21 -5.041 -6.925 -20.398 73 1HB ARG 21 2HB ARG 21 -5.926 -9.313 -20.560 74 2HB ARG 21 3HB ARG 21 -5.145 -9.598 -19.011 75 1HG ARG 21 2HG ARG 21 -7.431 -9.118 -18.590 76 2HG ARG 21 3HG ARG 21 -6.491 -7.716 -18.074 77 1HD ARG 21 2HD ARG 21 -7.527 -7.750 -20.857 78 2HD ARG 21 3HD ARG 21 -8.683 -7.484 -19.552 79 HE ARG 21 HE ARG 21 -6.514 -5.779 -19.140 80 1HH1 ARG 21 2HH1 ARG 21 -9.085 -6.257 -21.437 81 2HH1 ARG 21 1HH1 ARG 21 -9.172 -4.585 -21.885 82 1HH2 ARG 21 2HH2 ARG 21 -6.618 -3.576 -19.720 83 2HH2 ARG 21 1HH2 ARG 21 -7.768 -3.061 -20.908 84 H THR 22 H THR 22 -3.892 -5.445 -19.269 85 HA THR 22 HA THR 22 -1.975 -6.068 -17.280 86 HB THR 22 HB THR 22 -3.467 -3.454 -17.463 87 HG1 THR 22 HG1 THR 22 -1.306 -4.409 -19.058 88 1HG2 THR 22 1HG2 THR 22 -0.627 -3.303 -17.033 89 2HG2 THR 22 2HG2 THR 22 -1.367 -4.375 -15.844 90 3HG2 THR 22 3HG2 THR 22 -1.942 -2.717 -16.015 91 H TYR 23 H TYR 23 -2.454 -7.040 -15.423 92 HA TYR 23 HA TYR 23 -4.843 -6.136 -13.953 93 1HB TYR 23 2HB TYR 23 -5.075 -8.402 -13.052 94 2HB TYR 23 3HB TYR 23 -5.157 -8.417 -14.810 95 HD1 TYR 23 HD1 TYR 23 -3.656 -9.717 -16.077 96 HD2 TYR 23 HD2 TYR 23 -2.914 -9.094 -11.934 97 HE1 TYR 23 HE1 TYR 23 -1.867 -11.403 -16.149 98 HE2 TYR 23 HE2 TYR 23 -1.122 -10.777 -11.995 99 HH TYR 23 HH TYR 23 -0.562 -12.761 -14.819 100 H TYR 24 H TYR 24 -4.684 -6.046 -11.681 101 HA TYR 24 HA TYR 24 -1.929 -5.722 -10.729 102 1HB TYR 24 2HB TYR 24 -4.503 -4.750 -9.472 103 2HB TYR 24 3HB TYR 24 -2.871 -4.347 -8.952 104 HD1 TYR 24 HD1 TYR 24 -5.284 -3.956 -11.742 105 HD2 TYR 24 HD2 TYR 24 -1.699 -2.550 -9.930 106 HE1 TYR 24 HE1 TYR 24 -5.292 -2.012 -13.248 107 HE2 TYR 24 HE2 TYR 24 -1.698 -0.602 -11.431 108 HH TYR 24 HH TYR 24 -2.594 0.194 -13.415 109 H TYR 25 H TYR 25 -1.191 -6.699 -8.858 110 HA TYR 25 HA TYR 25 -2.961 -8.638 -7.551 111 1HB TYR 25 2HB TYR 25 -1.721 -9.910 -9.216 112 2HB TYR 25 3HB TYR 25 -0.200 -9.250 -8.625 113 HD1 TYR 25 HD1 TYR 25 0.646 -9.921 -6.383 114 HD2 TYR 25 HD2 TYR 25 -2.762 -11.763 -8.143 115 HE1 TYR 25 HE1 TYR 25 0.852 -11.797 -4.805 116 HE2 TYR 25 HE2 TYR 25 -2.567 -13.643 -6.570 117 HH TYR 25 HH TYR 25 -0.129 -14.539 -5.070 118 H ASN 26 H ASN 26 -2.952 -8.259 -5.447 119 HA ASN 26 HA ASN 26 -0.855 -6.691 -4.230 120 1HB ASN 26 2HB ASN 26 -3.248 -6.357 -3.651 121 2HB ASN 26 3HB ASN 26 -3.280 -7.973 -2.952 122 1HD2 ASN 26 1HD2 ASN 26 -0.913 -5.340 -2.794 123 2HD2 ASN 26 2HD2 ASN 26 -0.892 -5.233 -1.070 124 H THR 27 H THR 27 0.875 -7.469 -3.230 125 HA THR 27 HA THR 27 1.197 -10.320 -2.900 126 HB THR 27 HB THR 27 3.479 -9.887 -2.387 127 HG1 THR 27 HG1 THR 27 4.126 -7.595 -2.109 128 1HG2 THR 27 1HG2 THR 27 2.831 -9.513 -4.743 129 2HG2 THR 27 2HG2 THR 27 4.216 -8.532 -4.262 130 3HG2 THR 27 3HG2 THR 27 2.617 -7.798 -4.391 131 H GLU 28 H GLU 28 0.134 -7.727 -0.979 132 HA GLU 28 HA GLU 28 0.973 -8.785 1.558 133 1HB GLU 28 2HB GLU 28 0.364 -6.323 0.884 134 2HB GLU 28 3HB GLU 28 -1.276 -6.830 1.265 135 1HG GLU 28 2HG GLU 28 -0.656 -6.011 3.286 136 2HG GLU 28 3HG GLU 28 -0.131 -7.682 3.479 137 H THR 29 H THR 29 -2.002 -8.781 -0.347 138 HA THR 29 HA THR 29 -3.223 -10.600 1.617 139 HB THR 29 HB THR 29 -5.369 -9.994 0.780 140 HG1 THR 29 HG1 THR 29 -5.645 -8.815 -1.094 141 1HG2 THR 29 1HG2 THR 29 -4.465 -7.264 0.571 142 2HG2 THR 29 2HG2 THR 29 -3.607 -8.107 1.860 143 3HG2 THR 29 3HG2 THR 29 -5.369 -8.047 1.866 144 H LYS 30 H LYS 30 -1.624 -10.624 -1.292 145 HA LYS 30 HA LYS 30 -1.311 -12.183 -2.919 146 1HB LYS 30 2HB LYS 30 -2.796 -14.015 -1.026 147 2HB LYS 30 3HB LYS 30 -1.786 -14.517 -2.376 148 1HG LYS 30 2HG LYS 30 -0.644 -12.837 -0.185 149 2HG LYS 30 3HG LYS 30 -0.830 -14.580 0.023 150 1HD LYS 30 2HD LYS 30 0.355 -14.627 -2.340 151 2HD LYS 30 3HD LYS 30 0.959 -13.057 -1.805 152 1HE LYS 30 2HE LYS 30 1.845 -14.090 0.225 153 2HE LYS 30 3HE LYS 30 1.228 -15.657 -0.296 154 1HZ LYS 30 1HZ LYS 30 3.691 -14.990 -0.741 155 2HZ LYS 30 2HZ LYS 30 3.037 -14.182 -2.075 156 3HZ LYS 30 3HZ LYS 30 2.819 -15.851 -1.908 157 H GLN 31 H GLN 31 -3.499 -10.482 -3.238 158 HA GLN 31 HA GLN 31 -5.469 -12.246 -4.538 159 1HB GLN 31 2HB GLN 31 -5.867 -9.459 -3.438 160 2HB GLN 31 3HB GLN 31 -7.089 -10.395 -4.289 161 1HG GLN 31 2HG GLN 31 -5.792 -11.510 -1.844 162 2HG GLN 31 3HG GLN 31 -7.082 -10.317 -1.698 163 1HE2 GLN 31 1HE2 GLN 31 -7.016 -13.129 -0.906 164 2HE2 GLN 31 2HE2 GLN 31 -8.337 -13.885 -1.725 165 H SER 32 H SER 32 -6.615 -11.100 -6.406 166 HA SER 32 HA SER 32 -4.817 -9.325 -7.886 167 1HB SER 32 2HB SER 32 -4.479 -10.727 -9.653 168 2HB SER 32 3HB SER 32 -4.730 -11.967 -8.425 169 HG SER 32 HG SER 32 -6.014 -12.028 -10.493 170 H THR 33 H THR 33 -5.841 -8.182 -9.623 171 HA THR 33 HA THR 33 -8.700 -8.382 -9.960 172 HB THR 33 HB THR 33 -8.471 -7.012 -7.883 173 HG1 THR 33 HG1 THR 33 -10.301 -6.638 -9.085 174 1HG2 THR 33 1HG2 THR 33 -7.149 -5.040 -9.752 175 2HG2 THR 33 2HG2 THR 33 -6.370 -5.885 -8.414 176 3HG2 THR 33 3HG2 THR 33 -7.644 -4.709 -8.092 177 H TRP 34 H TRP 34 -9.485 -6.562 -11.449 178 HA TRP 34 HA TRP 34 -7.471 -6.226 -13.555 179 1HB TRP 34 2HB TRP 34 -10.471 -5.897 -13.754 180 2HB TRP 34 3HB TRP 34 -9.323 -5.941 -15.089 181 HD1 TRP 34 HD1 TRP 34 -11.555 -8.136 -13.114 182 HE1 TRP 34 HE1 TRP 34 -11.134 -10.607 -13.699 183 HE3 TRP 34 HE3 TRP 34 -7.179 -7.622 -15.707 184 HZ2 TRP 34 HZ2 TRP 34 -9.202 -12.136 -15.076 185 HZ3 TRP 34 HZ3 TRP 34 -6.108 -9.638 -16.625 186 HH2 TRP 34 HH2 TRP 34 -7.100 -11.848 -16.314 187 H GLU 35 H GLU 35 -9.246 -4.483 -11.216 188 HA GLU 35 HA GLU 35 -8.819 -1.935 -12.599 189 1HB GLU 35 2HB GLU 35 -10.269 -0.964 -10.880 190 2HB GLU 35 3HB GLU 35 -11.057 -2.311 -11.691 191 1HG GLU 35 2HG GLU 35 -10.865 -3.703 -9.843 192 2HG GLU 35 3HG GLU 35 -9.595 -2.720 -9.115 193 H LYS 36 H LYS 36 -7.600 -0.279 -11.720 194 HA LYS 36 HA LYS 36 -5.285 -0.947 -10.337 195 1HB LYS 36 2HB LYS 36 -5.017 1.515 -9.994 196 2HB LYS 36 3HB LYS 36 -5.361 1.056 -11.657 197 1HG LYS 36 2HG LYS 36 -7.814 1.553 -11.061 198 2HG LYS 36 3HG LYS 36 -7.142 2.410 -9.671 199 1HD LYS 36 2HD LYS 36 -6.185 2.948 -12.466 200 2HD LYS 36 3HD LYS 36 -7.606 3.758 -11.804 201 1HE LYS 36 2HE LYS 36 -6.054 4.344 -9.821 202 2HE LYS 36 3HE LYS 36 -4.745 3.940 -10.930 203 1HZ LYS 36 1HZ LYS 36 -6.168 5.561 -12.463 204 2HZ LYS 36 2HZ LYS 36 -4.942 6.114 -11.437 205 3HZ LYS 36 3HZ LYS 36 -6.560 6.213 -10.952 206 HA PRO 37 HA PRO 37 -6.325 -1.091 -6.075 207 1HB PRO 37 2HB PRO 37 -4.076 -0.075 -4.944 208 2HB PRO 37 3HB PRO 37 -4.140 -1.680 -5.681 209 1HG PRO 37 2HG PRO 37 -3.105 0.888 -6.820 210 2HG PRO 37 3HG PRO 37 -2.404 -0.738 -6.909 211 1HD PRO 37 2HD PRO 37 -3.796 0.362 -8.954 212 2HD PRO 37 3HD PRO 37 -3.800 -1.383 -8.626 213 H ASP 38 H ASP 38 -7.997 0.611 -6.453 214 HA ASP 38 HA ASP 38 -7.264 3.077 -5.021 215 1HB ASP 38 2HB ASP 38 -7.571 3.603 -7.388 216 2HB ASP 38 3HB ASP 38 -9.155 2.833 -7.371 217 H ASP 39 H ASP 39 -10.321 1.735 -6.247 218 HA ASP 39 HA ASP 39 -11.714 2.406 -3.852 219 1HB ASP 39 2HB ASP 39 -12.742 0.446 -5.885 220 2HB ASP 39 3HB ASP 39 -13.643 1.609 -4.916 Start of MODEL 4 1 1H GLY 10 H GLY 10 4.062 0.428 -0.579 2 1HA GLY 10 2HA GLY 10 1.323 -0.499 -0.636 3 2HA GLY 10 3HA GLY 10 1.893 0.151 -2.166 4 H SER 11 H SER 11 1.055 -2.538 -1.681 5 HA SER 11 HA SER 11 3.570 -3.927 -2.313 6 1HB SER 11 2HB SER 11 1.639 -4.517 -0.184 7 2HB SER 11 3HB SER 11 2.021 -5.908 -1.198 8 HG SER 11 HG SER 11 4.320 -5.001 -0.799 9 H TRP 12 H TRP 12 1.235 -2.772 -3.864 10 HA TRP 12 HA TRP 12 0.138 -5.180 -5.101 11 1HB TRP 12 2HB TRP 12 -0.488 -2.253 -5.540 12 2HB TRP 12 3HB TRP 12 -1.290 -3.585 -6.369 13 HD1 TRP 12 HD1 TRP 12 -0.726 -2.444 -2.694 14 HE1 TRP 12 HE1 TRP 12 -2.860 -2.995 -1.365 15 HE3 TRP 12 HE3 TRP 12 -3.421 -4.723 -6.393 16 HZ2 TRP 12 HZ2 TRP 12 -5.355 -4.232 -1.824 17 HZ3 TRP 12 HZ3 TRP 12 -5.672 -5.563 -5.865 18 HH2 TRP 12 HH2 TRP 12 -6.618 -5.322 -3.627 19 H THR 13 H THR 13 1.162 -6.074 -6.753 20 HA THR 13 HA THR 13 3.050 -4.479 -8.316 21 HB THR 13 HB THR 13 3.897 -6.589 -9.180 22 HG1 THR 13 HG1 THR 13 2.887 -8.530 -8.045 23 1HG2 THR 13 1HG2 THR 13 3.518 -6.445 -6.198 24 2HG2 THR 13 2HG2 THR 13 4.927 -5.974 -7.147 25 3HG2 THR 13 3HG2 THR 13 4.519 -7.679 -6.962 26 H GLU 14 H GLU 14 2.832 -4.070 -10.461 27 HA GLU 14 HA GLU 14 0.225 -4.653 -11.638 28 1HB GLU 14 2HB GLU 14 1.772 -2.383 -11.629 29 2HB GLU 14 3HB GLU 14 2.110 -3.055 -13.218 30 1HG GLU 14 2HG GLU 14 -0.057 -2.808 -13.938 31 2HG GLU 14 3HG GLU 14 -0.715 -2.821 -12.303 32 H HIS 15 H HIS 15 0.061 -6.480 -12.751 33 HA HIS 15 HA HIS 15 2.187 -7.148 -14.663 34 1HB HIS 15 2HB HIS 15 1.353 -8.705 -12.360 35 2HB HIS 15 3HB HIS 15 1.137 -9.607 -13.857 36 HD1 HIS 15 HD1 HIS 15 3.246 -10.335 -15.117 37 HD2 HIS 15 HD2 HIS 15 4.028 -8.107 -11.698 38 HE1 HIS 15 HE1 HIS 15 5.716 -10.576 -14.707 39 H LYS 16 H LYS 16 1.463 -7.582 -16.650 40 HA LYS 16 HA LYS 16 -1.436 -7.782 -17.039 41 1HB LYS 16 2HB LYS 16 -0.842 -7.299 -19.451 42 2HB LYS 16 3HB LYS 16 -0.505 -6.005 -18.309 43 1HG LYS 16 2HG LYS 16 1.836 -6.539 -18.309 44 2HG LYS 16 3HG LYS 16 1.550 -7.965 -19.308 45 1HD LYS 16 2HD LYS 16 0.783 -5.213 -20.235 46 2HD LYS 16 3HD LYS 16 2.415 -5.845 -20.464 47 1HE LYS 16 2HE LYS 16 1.678 -7.554 -21.879 48 2HE LYS 16 3HE LYS 16 0.005 -7.399 -21.343 49 1HZ LYS 16 1HZ LYS 16 -0.331 -6.091 -23.080 50 2HZ LYS 16 2HZ LYS 16 1.311 -6.097 -23.487 51 3HZ LYS 16 3HZ LYS 16 0.713 -4.945 -22.402 52 H SER 17 H SER 17 -2.392 -9.486 -18.054 53 HA SER 17 HA SER 17 -1.122 -11.993 -17.975 54 1HB SER 17 2HB SER 17 -3.208 -12.780 -18.289 55 2HB SER 17 3HB SER 17 -3.729 -11.096 -18.251 56 HG SER 17 HG SER 17 -4.487 -11.823 -20.149 57 HA PRO 18 HA PRO 18 0.869 -12.474 -21.853 58 1HB PRO 18 2HB PRO 18 0.207 -15.007 -22.570 59 2HB PRO 18 3HB PRO 18 1.330 -14.643 -21.254 60 1HG PRO 18 2HG PRO 18 -1.573 -15.362 -21.123 61 2HG PRO 18 3HG PRO 18 -0.233 -15.930 -20.110 62 1HD PRO 18 2HD PRO 18 -1.953 -14.000 -19.303 63 2HD PRO 18 3HD PRO 18 -0.250 -14.030 -18.804 64 H ASP 19 H ASP 19 -2.465 -12.336 -21.659 65 HA ASP 19 HA ASP 19 -2.837 -12.608 -24.559 66 1HB ASP 19 2HB ASP 19 -4.359 -13.857 -22.991 67 2HB ASP 19 3HB ASP 19 -4.973 -12.300 -22.444 68 H GLY 20 H GLY 20 -2.178 -10.280 -22.300 69 1HA GLY 20 2HA GLY 20 -1.895 -7.997 -22.873 70 2HA GLY 20 3HA GLY 20 -3.127 -8.182 -24.113 71 H ARG 21 H ARG 21 -3.035 -8.791 -20.600 72 HA ARG 21 HA ARG 21 -5.230 -6.873 -20.276 73 1HB ARG 21 2HB ARG 21 -6.052 -9.288 -20.446 74 2HB ARG 21 3HB ARG 21 -5.257 -9.553 -18.900 75 1HG ARG 21 2HG ARG 21 -7.544 -9.133 -18.455 76 2HG ARG 21 3HG ARG 21 -6.648 -7.693 -17.967 77 1HD ARG 21 2HD ARG 21 -7.698 -7.790 -20.741 78 2HD ARG 21 3HD ARG 21 -8.863 -7.567 -19.436 79 HE ARG 21 HE ARG 21 -6.830 -5.756 -18.976 80 1HH1 ARG 21 2HH1 ARG 21 -9.154 -6.402 -21.486 81 2HH1 ARG 21 1HH1 ARG 21 -9.259 -4.749 -21.994 82 1HH2 ARG 21 2HH2 ARG 21 -6.960 -3.576 -19.634 83 2HH2 ARG 21 1HH2 ARG 21 -8.011 -3.142 -20.940 84 H THR 22 H THR 22 -4.138 -5.373 -19.129 85 HA THR 22 HA THR 22 -2.165 -5.957 -17.181 86 HB THR 22 HB THR 22 -3.748 -3.394 -17.301 87 HG1 THR 22 HG1 THR 22 -1.958 -2.792 -18.798 88 1HG2 THR 22 1HG2 THR 22 -2.136 -3.756 -15.431 89 2HG2 THR 22 2HG2 THR 22 -1.732 -2.385 -16.464 90 3HG2 THR 22 3HG2 THR 22 -0.851 -3.903 -16.628 91 H TYR 23 H TYR 23 -2.547 -6.917 -15.300 92 HA TYR 23 HA TYR 23 -4.959 -6.140 -13.797 93 1HB TYR 23 2HB TYR 23 -5.084 -8.420 -12.910 94 2HB TYR 23 3HB TYR 23 -5.195 -8.424 -14.666 95 HD1 TYR 23 HD1 TYR 23 -2.882 -9.038 -11.833 96 HD2 TYR 23 HD2 TYR 23 -3.659 -9.645 -15.972 97 HE1 TYR 23 HE1 TYR 23 -1.025 -10.647 -11.939 98 HE2 TYR 23 HE2 TYR 23 -1.804 -11.257 -16.089 99 HH TYR 23 HH TYR 23 -0.160 -12.378 -13.231 100 H TYR 24 H TYR 24 -4.772 -6.134 -11.506 101 HA TYR 24 HA TYR 24 -2.010 -5.712 -10.596 102 1HB TYR 24 2HB TYR 24 -4.577 -4.780 -9.297 103 2HB TYR 24 3HB TYR 24 -2.941 -4.329 -8.832 104 HD1 TYR 24 HD1 TYR 24 -5.479 -4.001 -11.507 105 HD2 TYR 24 HD2 TYR 24 -1.812 -2.550 -9.911 106 HE1 TYR 24 HE1 TYR 24 -5.581 -2.077 -13.036 107 HE2 TYR 24 HE2 TYR 24 -1.905 -0.622 -11.434 108 HH TYR 24 HH TYR 24 -3.821 0.657 -12.671 109 H TYR 25 H TYR 25 -1.165 -6.841 -8.924 110 HA TYR 25 HA TYR 25 -2.917 -8.770 -7.554 111 1HB TYR 25 2HB TYR 25 -1.626 -9.996 -9.200 112 2HB TYR 25 3HB TYR 25 -0.132 -9.261 -8.628 113 HD1 TYR 25 HD1 TYR 25 -2.617 -11.852 -8.052 114 HD2 TYR 25 HD2 TYR 25 0.816 -9.918 -6.446 115 HE1 TYR 25 HE1 TYR 25 -2.314 -13.714 -6.473 116 HE2 TYR 25 HE2 TYR 25 1.129 -11.775 -4.863 117 HH TYR 25 HH TYR 25 0.500 -14.219 -4.745 118 H ASN 26 H ASN 26 -2.973 -8.335 -5.460 119 HA ASN 26 HA ASN 26 -0.954 -6.719 -4.200 120 1HB ASN 26 2HB ASN 26 -3.350 -6.494 -3.628 121 2HB ASN 26 3HB ASN 26 -3.336 -8.132 -2.980 122 1HD2 ASN 26 1HD2 ASN 26 -1.014 -5.474 -2.700 123 2HD2 ASN 26 2HD2 ASN 26 -1.042 -5.402 -0.974 124 H THR 27 H THR 27 0.816 -7.426 -3.219 125 HA THR 27 HA THR 27 1.273 -10.258 -2.906 126 HB THR 27 HB THR 27 3.528 -9.722 -2.389 127 HG1 THR 27 HG1 THR 27 4.000 -7.986 -1.283 128 1HG2 THR 27 1HG2 THR 27 3.240 -7.439 -4.186 129 2HG2 THR 27 2HG2 THR 27 2.331 -8.856 -4.710 130 3HG2 THR 27 3HG2 THR 27 4.068 -8.976 -4.433 131 H GLU 28 H GLU 28 0.014 -7.779 -0.981 132 HA GLU 28 HA GLU 28 0.916 -8.795 1.558 133 1HB GLU 28 2HB GLU 28 0.158 -6.367 0.890 134 2HB GLU 28 3HB GLU 28 -1.445 -6.978 1.276 135 1HG GLU 28 2HG GLU 28 -0.786 -7.471 3.522 136 2HG GLU 28 3HG GLU 28 0.894 -7.079 3.163 137 H THR 29 H THR 29 -2.041 -8.950 -0.369 138 HA THR 29 HA THR 29 -3.156 -10.868 1.565 139 HB THR 29 HB THR 29 -5.341 -10.393 0.675 140 HG1 THR 29 HG1 THR 29 -3.856 -9.186 -1.362 141 1HG2 THR 29 1HG2 THR 29 -5.476 -7.912 1.080 142 2HG2 THR 29 2HG2 THR 29 -3.716 -7.907 1.196 143 3HG2 THR 29 3HG2 THR 29 -4.673 -8.832 2.352 144 H LYS 30 H LYS 30 -1.550 -10.752 -1.330 145 HA LYS 30 HA LYS 30 -1.151 -12.258 -2.987 146 1HB LYS 30 2HB LYS 30 -2.563 -14.200 -1.149 147 2HB LYS 30 3HB LYS 30 -1.520 -14.623 -2.500 148 1HG LYS 30 2HG LYS 30 -0.434 -12.914 -0.317 149 2HG LYS 30 3HG LYS 30 -0.617 -14.649 -0.049 150 1HD LYS 30 2HD LYS 30 0.709 -15.061 -2.100 151 2HD LYS 30 3HD LYS 30 0.957 -13.320 -2.255 152 1HE LYS 30 2HE LYS 30 2.895 -14.132 -1.199 153 2HE LYS 30 3HE LYS 30 1.934 -13.405 0.089 154 1HZ LYS 30 1HZ LYS 30 2.473 -16.244 -0.448 155 2HZ LYS 30 2HZ LYS 30 1.043 -15.813 0.346 156 3HZ LYS 30 3HZ LYS 30 2.540 -15.398 1.016 157 H GLN 31 H GLN 31 -3.476 -10.662 -3.200 158 HA GLN 31 HA GLN 31 -5.336 -12.484 -4.577 159 1HB GLN 31 2HB GLN 31 -5.832 -9.749 -3.392 160 2HB GLN 31 3HB GLN 31 -7.013 -10.656 -4.327 161 1HG GLN 31 2HG GLN 31 -5.829 -11.416 -1.669 162 2HG GLN 31 3HG GLN 31 -7.489 -10.922 -2.000 163 1HE2 GLN 31 1HE2 GLN 31 -5.793 -13.482 -1.181 164 2HE2 GLN 31 2HE2 GLN 31 -6.654 -14.739 -1.995 165 H SER 32 H SER 32 -6.488 -11.428 -6.460 166 HA SER 32 HA SER 32 -4.779 -9.530 -7.899 167 1HB SER 32 2HB SER 32 -4.360 -10.896 -9.679 168 2HB SER 32 3HB SER 32 -4.550 -12.157 -8.461 169 HG SER 32 HG SER 32 -6.393 -11.281 -10.409 170 H THR 33 H THR 33 -5.841 -8.241 -9.401 171 HA THR 33 HA THR 33 -8.693 -8.633 -9.836 172 HB THR 33 HB THR 33 -8.516 -7.282 -7.745 173 HG1 THR 33 HG1 THR 33 -10.299 -7.046 -9.224 174 1HG2 THR 33 1HG2 THR 33 -7.776 -4.948 -7.920 175 2HG2 THR 33 2HG2 THR 33 -7.272 -5.235 -9.586 176 3HG2 THR 33 3HG2 THR 33 -6.459 -6.069 -8.262 177 H TRP 34 H TRP 34 -9.550 -6.790 -11.281 178 HA TRP 34 HA TRP 34 -7.569 -6.377 -13.405 179 1HB TRP 34 2HB TRP 34 -10.580 -6.122 -13.551 180 2HB TRP 34 3HB TRP 34 -9.456 -6.090 -14.907 181 HD1 TRP 34 HD1 TRP 34 -11.609 -8.407 -13.006 182 HE1 TRP 34 HE1 TRP 34 -11.110 -10.847 -13.655 183 HE3 TRP 34 HE3 TRP 34 -7.234 -7.691 -15.551 184 HZ2 TRP 34 HZ2 TRP 34 -9.124 -12.279 -15.060 185 HZ3 TRP 34 HZ3 TRP 34 -6.097 -9.648 -16.517 186 HH2 TRP 34 HH2 TRP 34 -7.024 -11.894 -16.275 187 H GLU 35 H GLU 35 -9.375 -4.710 -11.027 188 HA GLU 35 HA GLU 35 -8.971 -2.130 -12.364 189 1HB GLU 35 2HB GLU 35 -10.529 -1.203 -10.785 190 2HB GLU 35 3HB GLU 35 -11.229 -2.669 -11.459 191 1HG GLU 35 2HG GLU 35 -10.173 -3.786 -9.344 192 2HG GLU 35 3HG GLU 35 -10.216 -2.141 -8.711 193 H LYS 36 H LYS 36 -7.740 -0.510 -11.480 194 HA LYS 36 HA LYS 36 -5.469 -1.152 -10.043 195 1HB LYS 36 2HB LYS 36 -5.259 1.309 -9.630 196 2HB LYS 36 3HB LYS 36 -5.548 0.880 -11.311 197 1HG LYS 36 2HG LYS 36 -8.017 1.326 -10.803 198 2HG LYS 36 3HG LYS 36 -7.432 2.126 -9.343 199 1HD LYS 36 2HD LYS 36 -5.917 3.475 -10.881 200 2HD LYS 36 3HD LYS 36 -6.888 2.845 -12.213 201 1HE LYS 36 2HE LYS 36 -8.842 3.707 -10.576 202 2HE LYS 36 3HE LYS 36 -7.562 4.839 -10.141 203 1HZ LYS 36 1HZ LYS 36 -9.168 5.377 -12.087 204 2HZ LYS 36 2HZ LYS 36 -8.154 4.359 -12.979 205 3HZ LYS 36 3HZ LYS 36 -7.522 5.740 -12.234 206 HA PRO 37 HA PRO 37 -6.582 -1.417 -5.805 207 1HB PRO 37 2HB PRO 37 -4.375 -0.383 -4.608 208 2HB PRO 37 3HB PRO 37 -4.393 -1.971 -5.385 209 1HG PRO 37 2HG PRO 37 -3.390 0.644 -6.443 210 2HG PRO 37 3HG PRO 37 -2.654 -0.965 -6.557 211 1HD PRO 37 2HD PRO 37 -4.032 0.156 -8.601 212 2HD PRO 37 3HD PRO 37 -4.005 -1.596 -8.315 213 H ASP 38 H ASP 38 -5.803 1.650 -7.206 214 HA ASP 38 HA ASP 38 -6.332 3.290 -4.954 215 1HB ASP 38 2HB ASP 38 -6.107 3.733 -7.900 216 2HB ASP 38 3HB ASP 38 -6.820 5.002 -6.909 217 H ASP 39 H ASP 39 -8.339 2.079 -7.596 218 HA ASP 39 HA ASP 39 -10.694 3.349 -6.404 219 1HB ASP 39 2HB ASP 39 -10.088 2.183 -9.097 220 2HB ASP 39 3HB ASP 39 -11.762 2.318 -8.565 Start of MODEL 5 1 1H GLY 10 H GLY 10 2.043 -0.173 1.181 2 1HA GLY 10 2HA GLY 10 0.930 -0.278 -1.532 3 2HA GLY 10 3HA GLY 10 2.381 0.587 -1.046 4 H SER 11 H SER 11 1.037 -2.605 -1.692 5 HA SER 11 HA SER 11 3.710 -3.487 -2.508 6 1HB SER 11 2HB SER 11 2.805 -4.274 -0.105 7 2HB SER 11 3HB SER 11 2.038 -5.506 -1.107 8 HG SER 11 HG SER 11 4.212 -5.998 -0.315 9 H TRP 12 H TRP 12 1.314 -2.644 -3.957 10 HA TRP 12 HA TRP 12 0.261 -5.096 -5.112 11 1HB TRP 12 2HB TRP 12 -0.327 -2.184 -5.681 12 2HB TRP 12 3HB TRP 12 -1.116 -3.531 -6.497 13 HD1 TRP 12 HD1 TRP 12 -0.657 -2.267 -2.850 14 HE1 TRP 12 HE1 TRP 12 -2.826 -2.779 -1.562 15 HE3 TRP 12 HE3 TRP 12 -3.236 -4.698 -6.535 16 HZ2 TRP 12 HZ2 TRP 12 -5.301 -4.047 -2.044 17 HZ3 TRP 12 HZ3 TRP 12 -5.498 -5.529 -6.040 18 HH2 TRP 12 HH2 TRP 12 -6.507 -5.210 -3.840 19 H THR 13 H THR 13 1.231 -6.084 -6.744 20 HA THR 13 HA THR 13 3.216 -4.647 -8.329 21 HB THR 13 HB THR 13 3.790 -6.896 -9.233 22 HG1 THR 13 HG1 THR 13 1.489 -7.626 -8.514 23 1HG2 THR 13 1HG2 THR 13 5.133 -7.392 -7.459 24 2HG2 THR 13 2HG2 THR 13 3.821 -7.262 -6.288 25 3HG2 THR 13 3HG2 THR 13 4.578 -5.804 -6.930 26 H GLU 14 H GLU 14 3.096 -4.347 -10.519 27 HA GLU 14 HA GLU 14 0.453 -4.771 -11.712 28 1HB GLU 14 2HB GLU 14 2.047 -2.544 -11.657 29 2HB GLU 14 3HB GLU 14 2.424 -3.217 -13.237 30 1HG GLU 14 2HG GLU 14 0.219 -3.018 -13.980 31 2HG GLU 14 3HG GLU 14 -0.406 -2.815 -12.344 32 H HIS 15 H HIS 15 0.257 -6.594 -12.829 33 HA HIS 15 HA HIS 15 2.395 -7.312 -14.712 34 1HB HIS 15 2HB HIS 15 1.523 -8.835 -12.422 35 2HB HIS 15 3HB HIS 15 1.203 -9.730 -13.904 36 HD1 HIS 15 HD1 HIS 15 3.121 -11.000 -14.832 37 HD2 HIS 15 HD2 HIS 15 4.351 -7.989 -12.247 38 HE1 HIS 15 HE1 HIS 15 5.609 -11.287 -14.601 39 H LYS 16 H LYS 16 1.695 -7.698 -16.715 40 HA LYS 16 HA LYS 16 -1.199 -7.794 -17.165 41 1HB LYS 16 2HB LYS 16 -0.539 -7.336 -19.561 42 2HB LYS 16 3HB LYS 16 -0.164 -6.058 -18.413 43 1HG LYS 16 2HG LYS 16 2.146 -6.666 -18.386 44 2HG LYS 16 3HG LYS 16 1.826 -8.113 -19.345 45 1HD LYS 16 2HD LYS 16 1.224 -5.341 -20.347 46 2HD LYS 16 3HD LYS 16 2.793 -6.115 -20.582 47 1HE LYS 16 2HE LYS 16 1.481 -8.059 -21.595 48 2HE LYS 16 3HE LYS 16 0.109 -6.952 -21.646 49 1HZ LYS 16 1HZ LYS 16 1.111 -6.763 -23.726 50 2HZ LYS 16 2HZ LYS 16 2.679 -6.756 -23.093 51 3HZ LYS 16 3HZ LYS 16 1.678 -5.408 -22.887 52 H SER 17 H SER 17 -2.203 -9.454 -18.213 53 HA SER 17 HA SER 17 -1.045 -12.014 -18.098 54 1HB SER 17 2HB SER 17 -3.163 -12.687 -18.430 55 2HB SER 17 3HB SER 17 -3.605 -10.981 -18.488 56 HG SER 17 HG SER 17 -3.989 -12.629 -20.382 57 HA PRO 18 HA PRO 18 1.030 -12.585 -21.919 58 1HB PRO 18 2HB PRO 18 0.279 -15.088 -22.655 59 2HB PRO 18 3HB PRO 18 1.380 -14.772 -21.308 60 1HG PRO 18 2HG PRO 18 -1.554 -15.364 -21.258 61 2HG PRO 18 3HG PRO 18 -0.269 -15.988 -20.208 62 1HD PRO 18 2HD PRO 18 -1.925 -13.985 -19.449 63 2HD PRO 18 3HD PRO 18 -0.239 -14.088 -18.903 64 H ASP 19 H ASP 19 -2.298 -12.302 -21.819 65 HA ASP 19 HA ASP 19 -2.600 -12.559 -24.728 66 1HB ASP 19 2HB ASP 19 -4.214 -13.736 -23.177 67 2HB ASP 19 3HB ASP 19 -4.793 -12.145 -22.694 68 H GLY 20 H GLY 20 -1.895 -10.261 -22.457 69 1HA GLY 20 2HA GLY 20 -1.506 -7.993 -23.016 70 2HA GLY 20 3HA GLY 20 -2.710 -8.126 -24.289 71 H ARG 21 H ARG 21 -2.743 -8.742 -20.777 72 HA ARG 21 HA ARG 21 -4.861 -6.731 -20.510 73 1HB ARG 21 2HB ARG 21 -5.771 -9.117 -20.709 74 2HB ARG 21 3HB ARG 21 -5.048 -9.401 -19.131 75 1HG ARG 21 2HG ARG 21 -7.314 -8.884 -18.745 76 2HG ARG 21 3HG ARG 21 -6.395 -7.447 -18.289 77 1HD ARG 21 2HD ARG 21 -7.016 -6.306 -20.260 78 2HD ARG 21 3HD ARG 21 -7.614 -7.782 -21.016 79 HE ARG 21 HE ARG 21 -9.032 -6.072 -19.200 80 1HH1 ARG 21 2HH1 ARG 21 -8.762 -9.313 -20.442 81 2HH1 ARG 21 1HH1 ARG 21 -10.405 -9.727 -20.081 82 1HH2 ARG 21 2HH2 ARG 21 -11.196 -6.606 -18.719 83 2HH2 ARG 21 1HH2 ARG 21 -11.789 -8.187 -19.101 84 H THR 22 H THR 22 -3.758 -5.279 -19.316 85 HA THR 22 HA THR 22 -1.858 -5.948 -17.322 86 HB THR 22 HB THR 22 -3.338 -3.326 -17.450 87 HG1 THR 22 HG1 THR 22 -1.794 -2.704 -19.019 88 1HG2 THR 22 1HG2 THR 22 -0.525 -3.115 -17.041 89 2HG2 THR 22 2HG2 THR 22 -1.165 -4.321 -15.924 90 3HG2 THR 22 3HG2 THR 22 -1.833 -2.689 -15.939 91 H TYR 23 H TYR 23 -2.289 -6.848 -15.426 92 HA TYR 23 HA TYR 23 -4.714 -6.000 -13.986 93 1HB TYR 23 2HB TYR 23 -4.974 -8.278 -13.128 94 2HB TYR 23 3HB TYR 23 -5.035 -8.264 -14.887 95 HD1 TYR 23 HD1 TYR 23 -3.532 -9.560 -16.156 96 HD2 TYR 23 HD2 TYR 23 -2.829 -9.000 -11.997 97 HE1 TYR 23 HE1 TYR 23 -1.755 -11.258 -16.235 98 HE2 TYR 23 HE2 TYR 23 -1.048 -10.696 -12.064 99 HH TYR 23 HH TYR 23 0.303 -11.893 -13.459 100 H TYR 24 H TYR 24 -4.566 -5.918 -11.721 101 HA TYR 24 HA TYR 24 -1.816 -5.651 -10.741 102 1HB TYR 24 2HB TYR 24 -4.387 -4.656 -9.497 103 2HB TYR 24 3HB TYR 24 -2.754 -4.285 -8.955 104 HD1 TYR 24 HD1 TYR 24 -1.532 -2.506 -9.912 105 HD2 TYR 24 HD2 TYR 24 -5.144 -3.808 -11.747 106 HE1 TYR 24 HE1 TYR 24 -1.484 -0.539 -11.388 107 HE2 TYR 24 HE2 TYR 24 -5.105 -1.845 -13.229 108 HH TYR 24 HH TYR 24 -3.635 -0.209 -14.080 109 H TYR 25 H TYR 25 -1.146 -6.593 -8.800 110 HA TYR 25 HA TYR 25 -2.940 -8.560 -7.577 111 1HB TYR 25 2HB TYR 25 -1.655 -9.825 -9.205 112 2HB TYR 25 3HB TYR 25 -0.151 -9.154 -8.586 113 HD1 TYR 25 HD1 TYR 25 -2.723 -11.671 -8.132 114 HD2 TYR 25 HD2 TYR 25 0.675 -9.835 -6.347 115 HE1 TYR 25 HE1 TYR 25 -2.542 -13.551 -6.556 116 HE2 TYR 25 HE2 TYR 25 0.866 -11.710 -4.768 117 HH TYR 25 HH TYR 25 0.179 -14.123 -4.682 118 H ASN 26 H ASN 26 -2.985 -8.224 -5.465 119 HA ASN 26 HA ASN 26 -0.939 -6.645 -4.175 120 1HB ASN 26 2HB ASN 26 -3.363 -6.359 -3.668 121 2HB ASN 26 3HB ASN 26 -3.371 -7.970 -2.958 122 1HD2 ASN 26 1HD2 ASN 26 -1.050 -5.299 -2.770 123 2HD2 ASN 26 2HD2 ASN 26 -1.076 -5.172 -1.047 124 H THR 27 H THR 27 0.775 -7.421 -3.146 125 HA THR 27 HA THR 27 1.124 -10.269 -2.846 126 HB THR 27 HB THR 27 3.378 -9.810 -2.237 127 HG1 THR 27 HG1 THR 27 3.856 -7.372 -2.040 128 1HG2 THR 27 1HG2 THR 27 3.303 -7.540 -4.040 129 2HG2 THR 27 2HG2 THR 27 2.260 -8.851 -4.593 130 3HG2 THR 27 3HG2 THR 27 3.971 -9.153 -4.289 131 H GLU 28 H GLU 28 -0.111 -7.770 -0.932 132 HA GLU 28 HA GLU 28 0.660 -8.889 1.617 133 1HB GLU 28 2HB GLU 28 0.215 -6.409 1.096 134 2HB GLU 28 3HB GLU 28 -1.490 -6.829 1.182 135 1HG GLU 28 2HG GLU 28 -1.157 -6.159 3.322 136 2HG GLU 28 3HG GLU 28 -0.765 -7.869 3.491 137 H THR 29 H THR 29 -2.228 -8.777 -0.410 138 HA THR 29 HA THR 29 -3.576 -10.606 1.458 139 HB THR 29 HB THR 29 -5.669 -9.985 0.421 140 HG1 THR 29 HG1 THR 29 -5.637 -8.374 -1.267 141 1HG2 THR 29 1HG2 THR 29 -3.892 -7.661 1.142 142 2HG2 THR 29 2HG2 THR 29 -5.061 -8.498 2.163 143 3HG2 THR 29 3HG2 THR 29 -5.619 -7.482 0.835 144 H LYS 30 H LYS 30 -1.794 -10.659 -1.322 145 HA LYS 30 HA LYS 30 -1.446 -12.182 -2.976 146 1HB LYS 30 2HB LYS 30 -2.984 -13.979 -1.091 147 2HB LYS 30 3HB LYS 30 -2.051 -14.532 -2.476 148 1HG LYS 30 2HG LYS 30 -0.709 -12.880 -0.392 149 2HG LYS 30 3HG LYS 30 -1.036 -14.585 -0.071 150 1HD LYS 30 2HD LYS 30 0.075 -15.017 -2.347 151 2HD LYS 30 3HD LYS 30 0.687 -13.367 -2.208 152 1HE LYS 30 2HE LYS 30 1.391 -14.245 0.198 153 2HE LYS 30 3HE LYS 30 1.372 -15.796 -0.641 154 1HZ LYS 30 1HZ LYS 30 2.777 -14.516 -2.381 155 2HZ LYS 30 2HZ LYS 30 3.517 -15.098 -0.976 156 3HZ LYS 30 3HZ LYS 30 3.101 -13.462 -1.097 157 H GLN 31 H GLN 31 -3.684 -10.467 -3.268 158 HA GLN 31 HA GLN 31 -5.578 -12.204 -4.708 159 1HB GLN 31 2HB GLN 31 -6.002 -9.451 -3.533 160 2HB GLN 31 3HB GLN 31 -7.188 -10.317 -4.500 161 1HG GLN 31 2HG GLN 31 -6.744 -12.179 -2.654 162 2HG GLN 31 3HG GLN 31 -6.329 -10.753 -1.704 163 1HE2 GLN 31 1HE2 GLN 31 -8.820 -12.679 -2.932 164 2HE2 GLN 31 2HE2 GLN 31 -10.154 -11.695 -2.447 165 H SER 32 H SER 32 -6.639 -11.056 -6.608 166 HA SER 32 HA SER 32 -4.807 -9.230 -7.981 167 1HB SER 32 2HB SER 32 -4.349 -10.607 -9.736 168 2HB SER 32 3HB SER 32 -4.668 -11.872 -8.550 169 HG SER 32 HG SER 32 -6.859 -11.864 -9.313 170 H THR 33 H THR 33 -5.770 -7.922 -9.546 171 HA THR 33 HA THR 33 -8.624 -8.208 -10.053 172 HB THR 33 HB THR 33 -8.457 -6.835 -7.980 173 HG1 THR 33 HG1 THR 33 -9.770 -5.098 -8.871 174 1HG2 THR 33 1HG2 THR 33 -7.612 -4.526 -8.178 175 2HG2 THR 33 2HG2 THR 33 -7.030 -4.894 -9.802 176 3HG2 THR 33 3HG2 THR 33 -6.338 -5.722 -8.408 177 H TRP 34 H TRP 34 -9.363 -6.334 -11.535 178 HA TRP 34 HA TRP 34 -7.314 -6.038 -13.615 179 1HB TRP 34 2HB TRP 34 -10.308 -5.669 -13.847 180 2HB TRP 34 3HB TRP 34 -9.147 -5.700 -15.171 181 HD1 TRP 34 HD1 TRP 34 -11.394 -7.917 -13.222 182 HE1 TRP 34 HE1 TRP 34 -10.990 -10.379 -13.855 183 HE3 TRP 34 HE3 TRP 34 -7.036 -7.378 -15.840 184 HZ2 TRP 34 HZ2 TRP 34 -9.077 -11.892 -15.276 185 HZ3 TRP 34 HZ3 TRP 34 -5.983 -9.382 -16.803 186 HH2 TRP 34 HH2 TRP 34 -6.984 -11.592 -16.526 187 H GLU 35 H GLU 35 -9.104 -4.269 -11.303 188 HA GLU 35 HA GLU 35 -8.553 -1.726 -12.662 189 1HB GLU 35 2HB GLU 35 -10.104 -0.717 -11.080 190 2HB GLU 35 3HB GLU 35 -10.860 -2.082 -11.889 191 1HG GLU 35 2HG GLU 35 -10.596 -3.464 -9.963 192 2HG GLU 35 3HG GLU 35 -9.613 -2.241 -9.159 193 H LYS 36 H LYS 36 -7.257 -0.172 -11.776 194 HA LYS 36 HA LYS 36 -5.104 -0.902 -10.199 195 1HB LYS 36 2HB LYS 36 -4.726 1.540 -9.892 196 2HB LYS 36 3HB LYS 36 -5.013 1.079 -11.565 197 1HG LYS 36 2HG LYS 36 -7.373 1.797 -11.303 198 2HG LYS 36 3HG LYS 36 -6.973 2.376 -9.684 199 1HD LYS 36 2HD LYS 36 -6.621 4.321 -10.789 200 2HD LYS 36 3HD LYS 36 -5.039 3.599 -11.090 201 1HE LYS 36 2HE LYS 36 -5.600 4.187 -13.222 202 2HE LYS 36 3HE LYS 36 -6.303 2.572 -13.171 203 1HZ LYS 36 1HZ LYS 36 -7.926 4.902 -12.397 204 2HZ LYS 36 2HZ LYS 36 -8.427 3.406 -13.006 205 3HZ LYS 36 3HZ LYS 36 -7.707 4.538 -14.035 206 HA PRO 37 HA PRO 37 -6.455 -0.915 -6.022 207 1HB PRO 37 2HB PRO 37 -4.245 0.012 -4.747 208 2HB PRO 37 3HB PRO 37 -4.335 -1.602 -5.462 209 1HG PRO 37 2HG PRO 37 -3.095 0.891 -6.562 210 2HG PRO 37 3HG PRO 37 -2.471 -0.769 -6.575 211 1HD PRO 37 2HD PRO 37 -3.657 0.358 -8.733 212 2HD PRO 37 3HD PRO 37 -3.771 -1.378 -8.378 213 H ASP 38 H ASP 38 -8.004 0.865 -6.562 214 HA ASP 38 HA ASP 38 -7.215 3.552 -5.838 215 1HB ASP 38 2HB ASP 38 -9.671 2.263 -6.929 216 2HB ASP 38 3HB ASP 38 -9.856 3.793 -6.077 217 H ASP 39 H ASP 39 -9.584 1.191 -4.600 218 HA ASP 39 HA ASP 39 -9.746 2.683 -2.096 219 1HB ASP 39 2HB ASP 39 -11.275 0.175 -2.766 220 2HB ASP 39 3HB ASP 39 -11.694 1.434 -1.608 Start of MODEL 6 1 1H GLY 10 H GLY 10 0.160 -0.416 -2.297 2 1HA GLY 10 2HA GLY 10 1.982 0.545 -0.919 3 2HA GLY 10 3HA GLY 10 1.507 -0.597 0.329 4 H SER 11 H SER 11 1.059 -2.723 -1.703 5 HA SER 11 HA SER 11 3.774 -3.213 -2.667 6 1HB SER 11 2HB SER 11 2.409 -5.437 -1.199 7 2HB SER 11 3HB SER 11 4.130 -5.174 -1.482 8 HG SER 11 HG SER 11 3.365 -4.768 0.713 9 H TRP 12 H TRP 12 1.247 -2.620 -3.965 10 HA TRP 12 HA TRP 12 0.367 -5.118 -5.145 11 1HB TRP 12 2HB TRP 12 -0.432 -2.252 -5.694 12 2HB TRP 12 3HB TRP 12 -1.169 -3.659 -6.455 13 HD1 TRP 12 HD1 TRP 12 -0.613 -2.343 -2.839 14 HE1 TRP 12 HE1 TRP 12 -2.691 -2.960 -1.451 15 HE3 TRP 12 HE3 TRP 12 -3.232 -4.914 -6.398 16 HZ2 TRP 12 HZ2 TRP 12 -5.119 -4.352 -1.816 17 HZ3 TRP 12 HZ3 TRP 12 -5.424 -5.857 -5.797 18 HH2 TRP 12 HH2 TRP 12 -6.346 -5.582 -3.553 19 H THR 13 H THR 13 1.338 -6.020 -6.825 20 HA THR 13 HA THR 13 3.184 -4.439 -8.443 21 HB THR 13 HB THR 13 3.992 -6.557 -9.325 22 HG1 THR 13 HG1 THR 13 2.418 -8.007 -9.416 23 1HG2 THR 13 1HG2 THR 13 5.093 -5.990 -7.332 24 2HG2 THR 13 2HG2 THR 13 4.606 -7.668 -7.093 25 3HG2 THR 13 3HG2 THR 13 3.684 -6.367 -6.342 26 H GLU 14 H GLU 14 2.974 -4.106 -10.619 27 HA GLU 14 HA GLU 14 0.323 -4.638 -11.735 28 1HB GLU 14 2HB GLU 14 1.781 -2.357 -11.728 29 2HB GLU 14 3HB GLU 14 2.268 -3.032 -13.276 30 1HG GLU 14 2HG GLU 14 -0.429 -3.344 -13.377 31 2HG GLU 14 3HG GLU 14 -0.277 -1.853 -12.450 32 H HIS 15 H HIS 15 0.150 -6.496 -12.802 33 HA HIS 15 HA HIS 15 2.247 -7.181 -14.746 34 1HB HIS 15 2HB HIS 15 1.429 -8.705 -12.435 35 2HB HIS 15 3HB HIS 15 1.101 -9.609 -13.910 36 HD1 HIS 15 HD1 HIS 15 3.050 -10.726 -15.011 37 HD2 HIS 15 HD2 HIS 15 4.220 -7.950 -12.150 38 HE1 HIS 15 HE1 HIS 15 5.537 -11.012 -14.775 39 H LYS 16 H LYS 16 1.503 -7.519 -16.737 40 HA LYS 16 HA LYS 16 -1.395 -7.688 -17.125 41 1HB LYS 16 2HB LYS 16 -0.806 -7.181 -19.526 42 2HB LYS 16 3HB LYS 16 -0.416 -5.912 -18.372 43 1HG LYS 16 2HG LYS 16 1.893 -6.429 -18.445 44 2HG LYS 16 3HG LYS 16 1.597 -7.929 -19.326 45 1HD LYS 16 2HD LYS 16 0.445 -6.106 -20.980 46 2HD LYS 16 3HD LYS 16 1.774 -5.162 -20.302 47 1HE LYS 16 2HE LYS 16 2.462 -7.897 -21.148 48 2HE LYS 16 3HE LYS 16 1.999 -6.798 -22.447 49 1HZ LYS 16 1HZ LYS 16 3.721 -5.315 -21.869 50 2HZ LYS 16 2HZ LYS 16 4.424 -6.852 -21.885 51 3HZ LYS 16 3HZ LYS 16 4.042 -6.113 -20.412 52 H SER 17 H SER 17 -2.382 -9.359 -18.170 53 HA SER 17 HA SER 17 -1.164 -11.893 -18.110 54 1HB SER 17 2HB SER 17 -3.265 -12.629 -18.437 55 2HB SER 17 3HB SER 17 -3.751 -10.934 -18.401 56 HG SER 17 HG SER 17 -4.100 -10.997 -20.476 57 HA PRO 18 HA PRO 18 0.842 -12.373 -21.980 58 1HB PRO 18 2HB PRO 18 0.133 -14.884 -22.728 59 2HB PRO 18 3HB PRO 18 1.255 -14.558 -21.402 60 1HG PRO 18 2HG PRO 18 -1.663 -15.218 -21.296 61 2HG PRO 18 3HG PRO 18 -0.342 -15.824 -20.281 62 1HD PRO 18 2HD PRO 18 -2.027 -13.868 -19.464 63 2HD PRO 18 3HD PRO 18 -0.328 -13.938 -18.955 64 H ASP 19 H ASP 19 -2.489 -12.167 -21.806 65 HA ASP 19 HA ASP 19 -2.841 -12.389 -24.714 66 1HB ASP 19 2HB ASP 19 -4.391 -13.654 -23.188 67 2HB ASP 19 3HB ASP 19 -4.992 -12.102 -22.610 68 H GLY 20 H GLY 20 -2.155 -10.113 -22.420 69 1HA GLY 20 2HA GLY 20 -1.848 -7.823 -22.947 70 2HA GLY 20 3HA GLY 20 -3.081 -7.971 -24.191 71 H ARG 21 H ARG 21 -3.010 -8.660 -20.693 72 HA ARG 21 HA ARG 21 -5.189 -6.725 -20.340 73 1HB ARG 21 2HB ARG 21 -6.013 -9.140 -20.533 74 2HB ARG 21 3HB ARG 21 -5.221 -9.417 -18.988 75 1HG ARG 21 2HG ARG 21 -7.491 -8.995 -18.515 76 2HG ARG 21 3HG ARG 21 -6.611 -7.534 -18.064 77 1HD ARG 21 2HD ARG 21 -7.391 -6.349 -19.915 78 2HD ARG 21 3HD ARG 21 -7.837 -7.817 -20.783 79 HE ARG 21 HE ARG 21 -9.421 -7.777 -18.537 80 1HH1 ARG 21 2HH1 ARG 21 -8.870 -5.689 -21.267 81 2HH1 ARG 21 1HH1 ARG 21 -10.479 -5.047 -21.267 82 1HH2 ARG 21 2HH2 ARG 21 -11.543 -6.939 -18.526 83 2HH2 ARG 21 1HH2 ARG 21 -11.998 -5.758 -19.707 84 H THR 22 H THR 22 -4.069 -5.242 -19.190 85 HA THR 22 HA THR 22 -2.103 -5.857 -17.247 86 HB THR 22 HB THR 22 -3.661 -3.279 -17.327 87 HG1 THR 22 HG1 THR 22 -3.021 -3.326 -19.384 88 1HG2 THR 22 1HG2 THR 22 -0.865 -2.945 -16.999 89 2HG2 THR 22 2HG2 THR 22 -1.381 -4.222 -15.898 90 3HG2 THR 22 3HG2 THR 22 -2.146 -2.635 -15.829 91 H TYR 23 H TYR 23 -2.485 -6.822 -15.369 92 HA TYR 23 HA TYR 23 -4.880 -6.027 -13.849 93 1HB TYR 23 2HB TYR 23 -5.057 -8.316 -12.999 94 2HB TYR 23 3HB TYR 23 -5.170 -8.292 -14.756 95 HD1 TYR 23 HD1 TYR 23 -2.857 -8.988 -11.939 96 HD2 TYR 23 HD2 TYR 23 -3.675 -9.542 -16.077 97 HE1 TYR 23 HE1 TYR 23 -1.038 -10.638 -12.071 98 HE2 TYR 23 HE2 TYR 23 -1.859 -11.194 -16.221 99 HH TYR 23 HH TYR 23 -0.659 -12.757 -14.604 100 H TYR 24 H TYR 24 -4.673 -5.956 -11.589 101 HA TYR 24 HA TYR 24 -1.905 -5.621 -10.681 102 1HB TYR 24 2HB TYR 24 -4.464 -4.714 -9.348 103 2HB TYR 24 3HB TYR 24 -2.826 -4.291 -8.864 104 HD1 TYR 24 HD1 TYR 24 -5.323 -3.890 -11.575 105 HD2 TYR 24 HD2 TYR 24 -1.707 -2.462 -9.846 106 HE1 TYR 24 HE1 TYR 24 -5.405 -1.920 -13.046 107 HE2 TYR 24 HE2 TYR 24 -1.780 -0.488 -11.311 108 HH TYR 24 HH TYR 24 -3.889 -0.253 -13.975 109 H TYR 25 H TYR 25 -1.086 -6.682 -8.916 110 HA TYR 25 HA TYR 25 -2.810 -8.660 -7.597 111 1HB TYR 25 2HB TYR 25 -1.568 -9.861 -9.315 112 2HB TYR 25 3HB TYR 25 -0.053 -9.190 -8.723 113 HD1 TYR 25 HD1 TYR 25 0.830 -9.907 -6.509 114 HD2 TYR 25 HD2 TYR 25 -2.564 -11.762 -8.283 115 HE1 TYR 25 HE1 TYR 25 1.088 -11.821 -4.987 116 HE2 TYR 25 HE2 TYR 25 -2.316 -13.680 -6.764 117 HH TYR 25 HH TYR 25 0.451 -14.250 -4.960 118 H ASN 26 H ASN 26 -2.764 -8.367 -5.479 119 HA ASN 26 HA ASN 26 -0.724 -6.746 -4.248 120 1HB ASN 26 2HB ASN 26 -3.146 -6.638 -3.612 121 2HB ASN 26 3HB ASN 26 -2.986 -8.248 -2.916 122 1HD2 ASN 26 1HD2 ASN 26 -0.884 -5.395 -2.855 123 2HD2 ASN 26 2HD2 ASN 26 -0.801 -5.280 -1.133 124 H THR 27 H THR 27 1.081 -7.452 -3.329 125 HA THR 27 HA THR 27 1.591 -10.289 -3.137 126 HB THR 27 HB THR 27 3.856 -9.734 -2.674 127 HG1 THR 27 HG1 THR 27 3.339 -6.979 -2.469 128 1HG2 THR 27 1HG2 THR 27 2.789 -7.630 -4.560 129 2HG2 THR 27 2HG2 THR 27 3.128 -9.306 -4.990 130 3HG2 THR 27 3HG2 THR 27 4.443 -8.237 -4.501 131 H GLU 28 H GLU 28 0.327 -7.924 -1.097 132 HA GLU 28 HA GLU 28 1.326 -9.063 1.371 133 1HB GLU 28 2HB GLU 28 0.900 -6.625 1.133 134 2HB GLU 28 3HB GLU 28 -0.814 -6.970 0.951 135 1HG GLU 28 2HG GLU 28 -0.898 -7.886 3.190 136 2HG GLU 28 3HG GLU 28 0.836 -7.635 3.378 137 H THR 29 H THR 29 -1.675 -9.016 -0.482 138 HA THR 29 HA THR 29 -2.861 -10.908 1.432 139 HB THR 29 HB THR 29 -5.023 -10.362 0.482 140 HG1 THR 29 HG1 THR 29 -5.142 -8.760 -1.183 141 1HG2 THR 29 1HG2 THR 29 -5.074 -7.886 0.971 142 2HG2 THR 29 2HG2 THR 29 -3.323 -7.967 1.161 143 3HG2 THR 29 3HG2 THR 29 -4.370 -8.892 2.236 144 H LYS 30 H LYS 30 -1.325 -10.788 -1.541 145 HA LYS 30 HA LYS 30 -0.963 -12.323 -3.180 146 1HB LYS 30 2HB LYS 30 -2.457 -14.309 -1.470 147 2HB LYS 30 3HB LYS 30 -1.218 -14.639 -2.675 148 1HG LYS 30 2HG LYS 30 0.192 -14.750 -0.959 149 2HG LYS 30 3HG LYS 30 0.083 -12.989 -0.911 150 1HD LYS 30 2HD LYS 30 -1.249 -12.987 0.932 151 2HD LYS 30 3HD LYS 30 -2.035 -14.507 0.499 152 1HE LYS 30 2HE LYS 30 0.843 -14.590 1.227 153 2HE LYS 30 3HE LYS 30 -0.323 -14.319 2.522 154 1HZ LYS 30 1HZ LYS 30 -1.297 -16.400 0.956 155 2HZ LYS 30 2HZ LYS 30 -0.706 -16.485 2.538 156 3HZ LYS 30 3HZ LYS 30 0.339 -16.731 1.231 157 H GLN 31 H GLN 31 -3.296 -10.674 -3.287 158 HA GLN 31 HA GLN 31 -5.188 -12.441 -4.690 159 1HB GLN 31 2HB GLN 31 -5.645 -9.735 -3.425 160 2HB GLN 31 3HB GLN 31 -6.848 -10.614 -4.359 161 1HG GLN 31 2HG GLN 31 -5.691 -11.295 -1.683 162 2HG GLN 31 3HG GLN 31 -7.378 -11.044 -2.129 163 1HE2 GLN 31 1HE2 GLN 31 -5.354 -13.325 -1.169 164 2HE2 GLN 31 2HE2 GLN 31 -6.002 -14.706 -1.979 165 H SER 32 H SER 32 -6.399 -11.252 -6.491 166 HA SER 32 HA SER 32 -4.676 -9.362 -7.919 167 1HB SER 32 2HB SER 32 -4.322 -10.679 -9.747 168 2HB SER 32 3HB SER 32 -4.529 -11.978 -8.572 169 HG SER 32 HG SER 32 -6.276 -11.064 -10.553 170 H THR 33 H THR 33 -5.756 -8.155 -9.564 171 HA THR 33 HA THR 33 -8.621 -8.425 -9.856 172 HB THR 33 HB THR 33 -8.374 -7.111 -7.750 173 HG1 THR 33 HG1 THR 33 -10.237 -6.532 -8.620 174 1HG2 THR 33 1HG2 THR 33 -6.299 -5.938 -8.285 175 2HG2 THR 33 2HG2 THR 33 -7.583 -4.792 -7.902 176 3HG2 THR 33 3HG2 THR 33 -7.116 -5.064 -9.580 177 H TRP 34 H TRP 34 -9.490 -6.630 -11.298 178 HA TRP 34 HA TRP 34 -7.526 -6.159 -13.425 179 1HB TRP 34 2HB TRP 34 -10.538 -5.943 -13.575 180 2HB TRP 34 3HB TRP 34 -9.408 -5.925 -14.926 181 HD1 TRP 34 HD1 TRP 34 -11.521 -8.232 -12.937 182 HE1 TRP 34 HE1 TRP 34 -11.025 -10.676 -13.575 183 HE3 TRP 34 HE3 TRP 34 -7.233 -7.515 -15.627 184 HZ2 TRP 34 HZ2 TRP 34 -9.074 -12.110 -15.026 185 HZ3 TRP 34 HZ3 TRP 34 -6.113 -9.475 -16.606 186 HH2 TRP 34 HH2 TRP 34 -7.016 -11.724 -16.310 187 H GLU 35 H GLU 35 -9.272 -4.547 -10.992 188 HA GLU 35 HA GLU 35 -9.024 -1.952 -12.332 189 1HB GLU 35 2HB GLU 35 -10.534 -1.083 -10.715 190 2HB GLU 35 3HB GLU 35 -11.188 -2.633 -11.225 191 1HG GLU 35 2HG GLU 35 -9.954 -3.573 -9.165 192 2HG GLU 35 3HG GLU 35 -9.898 -1.894 -8.634 193 H LYS 36 H LYS 36 -7.905 -0.227 -11.400 194 HA LYS 36 HA LYS 36 -5.467 -0.804 -10.194 195 1HB LYS 36 2HB LYS 36 -5.348 1.650 -9.724 196 2HB LYS 36 3HB LYS 36 -5.753 1.255 -11.390 197 1HG LYS 36 2HG LYS 36 -8.192 1.555 -10.667 198 2HG LYS 36 3HG LYS 36 -7.526 2.347 -9.237 199 1HD LYS 36 2HD LYS 36 -6.261 3.866 -10.776 200 2HD LYS 36 3HD LYS 36 -7.158 3.154 -12.119 201 1HE LYS 36 2HE LYS 36 -8.499 4.417 -9.740 202 2HE LYS 36 3HE LYS 36 -8.068 5.324 -11.188 203 1HZ LYS 36 1HZ LYS 36 -10.415 4.171 -10.881 204 2HZ LYS 36 2HZ LYS 36 -9.589 2.868 -11.573 205 3HZ LYS 36 3HZ LYS 36 -9.686 4.341 -12.398 206 HA PRO 37 HA PRO 37 -6.241 -1.247 -5.896 207 1HB PRO 37 2HB PRO 37 -4.003 -0.136 -4.835 208 2HB PRO 37 3HB PRO 37 -4.001 -1.700 -5.658 209 1HG PRO 37 2HG PRO 37 -3.212 0.992 -6.704 210 2HG PRO 37 3HG PRO 37 -2.409 -0.573 -6.924 211 1HD PRO 37 2HD PRO 37 -3.991 0.532 -8.823 212 2HD PRO 37 3HD PRO 37 -3.857 -1.223 -8.595 213 H ASP 38 H ASP 38 -5.815 1.872 -7.288 214 HA ASP 38 HA ASP 38 -6.753 3.186 -4.833 215 1HB ASP 38 2HB ASP 38 -6.080 5.298 -5.957 216 2HB ASP 38 3HB ASP 38 -4.740 4.174 -5.750 217 H ASP 39 H ASP 39 -8.569 1.627 -6.322 218 HA ASP 39 HA ASP 39 -10.143 3.390 -7.980 219 1HB ASP 39 2HB ASP 39 -10.087 1.049 -8.568 220 2HB ASP 39 3HB ASP 39 -10.640 0.588 -6.961 Start of MODEL 7 1 1H GLY 10 H GLY 10 2.066 1.357 -2.057 2 1HA GLY 10 2HA GLY 10 2.266 -0.164 0.147 3 2HA GLY 10 3HA GLY 10 1.051 -0.488 -1.081 4 H SER 11 H SER 11 1.061 -2.435 -1.989 5 HA SER 11 HA SER 11 3.543 -3.904 -2.321 6 1HB SER 11 2HB SER 11 1.395 -5.478 -1.000 7 2HB SER 11 3HB SER 11 3.147 -5.626 -0.865 8 HG SER 11 HG SER 11 1.441 -3.760 0.405 9 H TRP 12 H TRP 12 1.330 -2.723 -3.949 10 HA TRP 12 HA TRP 12 0.174 -5.106 -5.188 11 1HB TRP 12 2HB TRP 12 -0.343 -2.165 -5.679 12 2HB TRP 12 3HB TRP 12 -1.172 -3.484 -6.501 13 HD1 TRP 12 HD1 TRP 12 -0.671 -2.233 -2.857 14 HE1 TRP 12 HE1 TRP 12 -2.839 -2.711 -1.555 15 HE3 TRP 12 HE3 TRP 12 -3.304 -4.636 -6.522 16 HZ2 TRP 12 HZ2 TRP 12 -5.335 -3.945 -2.020 17 HZ3 TRP 12 HZ3 TRP 12 -5.575 -5.434 -6.011 18 HH2 TRP 12 HH2 TRP 12 -6.568 -5.095 -3.807 19 H THR 13 H THR 13 1.211 -6.046 -6.806 20 HA THR 13 HA THR 13 3.183 -4.518 -8.336 21 HB THR 13 HB THR 13 4.008 -6.660 -9.144 22 HG1 THR 13 HG1 THR 13 2.953 -8.527 -8.768 23 1HG2 THR 13 1HG2 THR 13 4.018 -7.672 -6.539 24 2HG2 THR 13 2HG2 THR 13 3.877 -5.923 -6.355 25 3HG2 THR 13 3HG2 THR 13 5.219 -6.608 -7.271 26 H GLU 14 H GLU 14 3.002 -4.097 -10.474 27 HA GLU 14 HA GLU 14 0.421 -4.621 -11.710 28 1HB GLU 14 2HB GLU 14 1.958 -2.408 -11.715 29 2HB GLU 14 3HB GLU 14 2.522 -3.159 -13.201 30 1HG GLU 14 2HG GLU 14 0.131 -3.311 -13.924 31 2HG GLU 14 3HG GLU 14 -0.285 -2.334 -12.517 32 H HIS 15 H HIS 15 0.216 -6.535 -12.677 33 HA HIS 15 HA HIS 15 2.341 -7.378 -14.529 34 1HB HIS 15 2HB HIS 15 1.316 -8.790 -12.211 35 2HB HIS 15 3HB HIS 15 1.090 -9.729 -13.684 36 HD1 HIS 15 HD1 HIS 15 3.991 -7.630 -12.369 37 HD2 HIS 15 HD2 HIS 15 3.193 -11.389 -13.947 38 HE1 HIS 15 HE1 HIS 15 6.216 -8.796 -12.485 39 H LYS 16 H LYS 16 1.654 -7.732 -16.535 40 HA LYS 16 HA LYS 16 -1.232 -7.802 -17.026 41 1HB LYS 16 2HB LYS 16 -0.534 -7.386 -19.418 42 2HB LYS 16 3HB LYS 16 -0.151 -6.098 -18.282 43 1HG LYS 16 2HG LYS 16 2.150 -6.765 -18.208 44 2HG LYS 16 3HG LYS 16 1.809 -8.197 -19.182 45 1HD LYS 16 2HD LYS 16 1.112 -5.509 -20.269 46 2HD LYS 16 3HD LYS 16 2.801 -6.021 -20.276 47 1HE LYS 16 2HE LYS 16 2.004 -8.147 -21.401 48 2HE LYS 16 3HE LYS 16 0.450 -7.341 -21.614 49 1HZ LYS 16 1HZ LYS 16 1.241 -6.114 -23.281 50 2HZ LYS 16 2HZ LYS 16 2.525 -7.213 -23.341 51 3HZ LYS 16 3HZ LYS 16 2.692 -5.764 -22.483 52 H SER 17 H SER 17 -2.247 -9.475 -18.028 53 HA SER 17 HA SER 17 -1.111 -12.042 -17.879 54 1HB SER 17 2HB SER 17 -3.305 -12.501 -17.963 55 2HB SER 17 3HB SER 17 -3.665 -10.890 -18.584 56 HG SER 17 HG SER 17 -3.789 -13.175 -19.882 57 HA PRO 18 HA PRO 18 0.955 -12.689 -21.693 58 1HB PRO 18 2HB PRO 18 0.178 -15.194 -22.393 59 2HB PRO 18 3HB PRO 18 1.283 -14.871 -21.052 60 1HG PRO 18 2HG PRO 18 -1.657 -15.432 -20.991 61 2HG PRO 18 3HG PRO 18 -0.378 -16.054 -19.933 62 1HD PRO 18 2HD PRO 18 -2.013 -14.024 -19.202 63 2HD PRO 18 3HD PRO 18 -0.328 -14.137 -18.655 64 H ASP 19 H ASP 19 -2.368 -12.363 -21.595 65 HA ASP 19 HA ASP 19 -2.669 -12.651 -24.503 66 1HB ASP 19 2HB ASP 19 -4.290 -13.822 -22.969 67 2HB ASP 19 3HB ASP 19 -4.856 -12.233 -22.460 68 H GLY 20 H GLY 20 -1.951 -10.341 -22.256 69 1HA GLY 20 2HA GLY 20 -1.559 -8.077 -22.829 70 2HA GLY 20 3HA GLY 20 -2.767 -8.215 -24.099 71 H ARG 21 H ARG 21 -2.796 -8.812 -20.583 72 HA ARG 21 HA ARG 21 -4.923 -6.804 -20.333 73 1HB ARG 21 2HB ARG 21 -5.826 -9.186 -20.473 74 2HB ARG 21 3HB ARG 21 -5.054 -9.462 -18.918 75 1HG ARG 21 2HG ARG 21 -7.317 -8.960 -18.476 76 2HG ARG 21 3HG ARG 21 -6.388 -7.527 -18.030 77 1HD ARG 21 2HD ARG 21 -8.313 -6.785 -19.217 78 2HD ARG 21 3HD ARG 21 -6.926 -6.586 -20.287 79 HE ARG 21 HE ARG 21 -7.917 -9.042 -20.924 80 1HH1 ARG 21 2HH1 ARG 21 -9.251 -5.831 -20.757 81 2HH1 ARG 21 1HH1 ARG 21 -10.417 -6.109 -22.008 82 1HH2 ARG 21 2HH2 ARG 21 -9.446 -9.421 -22.573 83 2HH2 ARG 21 1HH2 ARG 21 -10.527 -8.152 -23.040 84 H THR 22 H THR 22 -3.740 -5.324 -19.229 85 HA THR 22 HA THR 22 -1.855 -5.943 -17.212 86 HB THR 22 HB THR 22 -3.298 -3.308 -17.419 87 HG1 THR 22 HG1 THR 22 -1.667 -2.777 -18.994 88 1HG2 THR 22 1HG2 THR 22 -1.853 -3.213 -15.606 89 2HG2 THR 22 2HG2 THR 22 -0.849 -2.584 -16.913 90 3HG2 THR 22 3HG2 THR 22 -0.655 -4.253 -16.377 91 H TYR 23 H TYR 23 -2.389 -6.913 -15.365 92 HA TYR 23 HA TYR 23 -4.767 -5.937 -13.923 93 1HB TYR 23 2HB TYR 23 -5.041 -8.187 -12.990 94 2HB TYR 23 3HB TYR 23 -5.110 -8.224 -14.748 95 HD1 TYR 23 HD1 TYR 23 -3.620 -9.563 -15.988 96 HD2 TYR 23 HD2 TYR 23 -2.899 -8.898 -11.847 97 HE1 TYR 23 HE1 TYR 23 -1.857 -11.277 -16.025 98 HE2 TYR 23 HE2 TYR 23 -1.133 -10.609 -11.874 99 HH TYR 23 HH TYR 23 -0.738 -12.818 -13.584 100 H TYR 24 H TYR 24 -4.628 -5.815 -11.651 101 HA TYR 24 HA TYR 24 -1.878 -5.520 -10.677 102 1HB TYR 24 2HB TYR 24 -4.446 -4.493 -9.453 103 2HB TYR 24 3HB TYR 24 -2.811 -4.101 -8.934 104 HD1 TYR 24 HD1 TYR 24 -5.226 -3.712 -11.717 105 HD2 TYR 24 HD2 TYR 24 -1.599 -2.352 -9.958 106 HE1 TYR 24 HE1 TYR 24 -5.206 -1.793 -13.256 107 HE2 TYR 24 HE2 TYR 24 -1.569 -0.429 -11.491 108 HH TYR 24 HH TYR 24 -3.806 -0.162 -14.147 109 H TYR 25 H TYR 25 -1.070 -6.764 -9.098 110 HA TYR 25 HA TYR 25 -2.913 -8.588 -7.699 111 1HB TYR 25 2HB TYR 25 -1.650 -9.871 -9.314 112 2HB TYR 25 3HB TYR 25 -0.138 -9.168 -8.750 113 HD1 TYR 25 HD1 TYR 25 0.803 -9.834 -6.572 114 HD2 TYR 25 HD2 TYR 25 -2.697 -11.680 -8.135 115 HE1 TYR 25 HE1 TYR 25 1.068 -11.679 -4.968 116 HE2 TYR 25 HE2 TYR 25 -2.443 -13.530 -6.534 117 HH TYR 25 HH TYR 25 -0.478 -14.582 -5.235 118 H ASN 26 H ASN 26 -2.977 -8.163 -5.604 119 HA ASN 26 HA ASN 26 -0.937 -6.595 -4.320 120 1HB ASN 26 2HB ASN 26 -3.361 -6.362 -3.789 121 2HB ASN 26 3HB ASN 26 -3.329 -7.975 -3.084 122 1HD2 ASN 26 1HD2 ASN 26 -1.058 -5.261 -2.907 123 2HD2 ASN 26 2HD2 ASN 26 -1.073 -5.139 -1.184 124 H THR 27 H THR 27 0.815 -7.342 -3.339 125 HA THR 27 HA THR 27 1.210 -10.184 -3.023 126 HB THR 27 HB THR 27 3.473 -9.695 -2.490 127 HG1 THR 27 HG1 THR 27 3.073 -6.919 -2.390 128 1HG2 THR 27 1HG2 THR 27 2.967 -9.348 -4.832 129 2HG2 THR 27 2HG2 THR 27 4.157 -8.155 -4.310 130 3HG2 THR 27 3HG2 THR 27 2.469 -7.687 -4.510 131 H GLU 28 H GLU 28 -0.034 -7.698 -1.110 132 HA GLU 28 HA GLU 28 0.829 -8.764 1.433 133 1HB GLU 28 2HB GLU 28 0.513 -6.386 1.291 134 2HB GLU 28 3HB GLU 28 -1.127 -6.588 0.691 135 1HG GLU 28 2HG GLU 28 -1.791 -7.551 2.840 136 2HG GLU 28 3HG GLU 28 -0.149 -7.326 3.440 137 H THR 29 H THR 29 -2.108 -8.747 -0.525 138 HA THR 29 HA THR 29 -3.366 -10.585 1.397 139 HB THR 29 HB THR 29 -5.499 -10.019 0.416 140 HG1 THR 29 HG1 THR 29 -4.226 -8.164 -1.306 141 1HG2 THR 29 1HG2 THR 29 -4.856 -8.496 2.121 142 2HG2 THR 29 2HG2 THR 29 -5.503 -7.517 0.805 143 3HG2 THR 29 3HG2 THR 29 -3.760 -7.639 1.039 144 H LYS 30 H LYS 30 -1.689 -10.594 -1.465 145 HA LYS 30 HA LYS 30 -1.330 -12.142 -3.091 146 1HB LYS 30 2HB LYS 30 -2.856 -13.982 -1.239 147 2HB LYS 30 3HB LYS 30 -1.824 -14.482 -2.572 148 1HG LYS 30 2HG LYS 30 -0.665 -12.783 -0.421 149 2HG LYS 30 3HG LYS 30 -0.949 -14.497 -0.105 150 1HD LYS 30 2HD LYS 30 0.599 -13.455 -2.474 151 2HD LYS 30 3HD LYS 30 1.344 -13.954 -0.954 152 1HE LYS 30 2HE LYS 30 0.072 -16.167 -1.316 153 2HE LYS 30 3HE LYS 30 -0.109 -15.619 -2.981 154 1HZ LYS 30 1HZ LYS 30 2.442 -16.069 -1.532 155 2HZ LYS 30 2HZ LYS 30 2.332 -15.397 -3.080 156 3HZ LYS 30 3HZ LYS 30 1.828 -16.990 -2.811 157 H GLN 31 H GLN 31 -3.590 -10.450 -3.357 158 HA GLN 31 HA GLN 31 -5.482 -12.213 -4.768 159 1HB GLN 31 2HB GLN 31 -5.927 -9.474 -3.570 160 2HB GLN 31 3HB GLN 31 -7.114 -10.342 -4.534 161 1HG GLN 31 2HG GLN 31 -6.563 -12.209 -2.680 162 2HG GLN 31 3HG GLN 31 -6.278 -10.743 -1.743 163 1HE2 GLN 31 1HE2 GLN 31 -8.002 -9.218 -1.554 164 2HE2 GLN 31 2HE2 GLN 31 -9.644 -9.740 -1.679 165 H SER 32 H SER 32 -6.613 -11.023 -6.627 166 HA SER 32 HA SER 32 -4.802 -9.202 -8.034 167 1HB SER 32 2HB SER 32 -4.452 -10.548 -9.853 168 2HB SER 32 3HB SER 32 -4.643 -11.810 -8.636 169 HG SER 32 HG SER 32 -6.773 -12.068 -9.278 170 H THR 33 H THR 33 -5.797 -7.927 -9.637 171 HA THR 33 HA THR 33 -8.660 -8.169 -10.052 172 HB THR 33 HB THR 33 -8.442 -6.824 -7.963 173 HG1 THR 33 HG1 THR 33 -10.247 -6.097 -8.793 174 1HG2 THR 33 1HG2 THR 33 -6.334 -5.703 -8.428 175 2HG2 THR 33 2HG2 THR 33 -7.605 -4.511 -8.156 176 3HG2 THR 33 3HG2 THR 33 -7.061 -4.861 -9.796 177 H TRP 34 H TRP 34 -9.434 -6.328 -11.523 178 HA TRP 34 HA TRP 34 -7.415 -5.981 -13.621 179 1HB TRP 34 2HB TRP 34 -10.406 -5.596 -13.838 180 2HB TRP 34 3HB TRP 34 -9.247 -5.692 -15.161 181 HD1 TRP 34 HD1 TRP 34 -11.598 -7.786 -13.245 182 HE1 TRP 34 HE1 TRP 34 -11.229 -10.279 -13.768 183 HE3 TRP 34 HE3 TRP 34 -7.096 -7.454 -15.645 184 HZ2 TRP 34 HZ2 TRP 34 -9.286 -11.892 -15.031 185 HZ3 TRP 34 HZ3 TRP 34 -6.050 -9.519 -16.480 186 HH2 TRP 34 HH2 TRP 34 -7.123 -11.690 -16.178 187 H GLU 35 H GLU 35 -9.198 -4.249 -11.274 188 HA GLU 35 HA GLU 35 -8.798 -1.689 -12.628 189 1HB GLU 35 2HB GLU 35 -10.177 -0.735 -10.863 190 2HB GLU 35 3HB GLU 35 -10.985 -2.117 -11.588 191 1HG GLU 35 2HG GLU 35 -10.707 -3.435 -9.719 192 2HG GLU 35 3HG GLU 35 -9.343 -2.489 -9.127 193 H LYS 36 H LYS 36 -7.698 0.053 -11.617 194 HA LYS 36 HA LYS 36 -5.255 -0.655 -10.409 195 1HB LYS 36 2HB LYS 36 -5.029 1.832 -10.031 196 2HB LYS 36 3HB LYS 36 -5.323 1.342 -11.695 197 1HG LYS 36 2HG LYS 36 -7.801 1.849 -10.308 198 2HG LYS 36 3HG LYS 36 -6.722 3.244 -10.233 199 1HD LYS 36 2HD LYS 36 -6.431 2.592 -12.820 200 2HD LYS 36 3HD LYS 36 -8.074 2.004 -12.554 201 1HE LYS 36 2HE LYS 36 -8.577 4.268 -11.545 202 2HE LYS 36 3HE LYS 36 -7.014 4.795 -12.167 203 1HZ LYS 36 1HZ LYS 36 -8.435 5.392 -13.851 204 2HZ LYS 36 2HZ LYS 36 -9.442 4.048 -13.649 205 3HZ LYS 36 3HZ LYS 36 -7.931 3.868 -14.387 206 HA PRO 37 HA PRO 37 -6.123 -0.800 -6.108 207 1HB PRO 37 2HB PRO 37 -3.847 0.249 -5.064 208 2HB PRO 37 3HB PRO 37 -3.916 -1.358 -5.798 209 1HG PRO 37 2HG PRO 37 -2.961 1.223 -6.976 210 2HG PRO 37 3HG PRO 37 -2.241 -0.393 -7.091 211 1HD PRO 37 2HD PRO 37 -3.726 0.685 -9.083 212 2HD PRO 37 3HD PRO 37 -3.693 -1.059 -8.754 213 H ASP 38 H ASP 38 -7.847 0.821 -6.290 214 HA ASP 38 HA ASP 38 -7.190 3.579 -5.736 215 1HB ASP 38 2HB ASP 38 -9.547 4.005 -5.904 216 2HB ASP 38 3HB ASP 38 -9.112 2.885 -7.193 217 H ASP 39 H ASP 39 -8.351 0.780 -3.981 218 HA ASP 39 HA ASP 39 -9.022 2.245 -1.603 219 1HB ASP 39 2HB ASP 39 -9.650 0.194 -0.680 220 2HB ASP 39 3HB ASP 39 -9.949 -0.043 -2.400 Start of MODEL 8 1 1H GLY 10 H GLY 10 2.989 0.841 -2.139 2 1HA GLY 10 2HA GLY 10 2.333 -0.098 0.276 3 2HA GLY 10 3HA GLY 10 0.957 -0.637 -0.675 4 H SER 11 H SER 11 1.103 -2.592 -1.541 5 HA SER 11 HA SER 11 3.731 -3.629 -2.312 6 1HB SER 11 2HB SER 11 1.874 -5.496 -0.900 7 2HB SER 11 3HB SER 11 3.634 -5.533 -1.009 8 HG SER 11 HG SER 11 2.146 -3.624 0.474 9 H TRP 12 H TRP 12 1.299 -2.649 -3.713 10 HA TRP 12 HA TRP 12 0.252 -5.057 -4.973 11 1HB TRP 12 2HB TRP 12 -0.416 -2.134 -5.377 12 2HB TRP 12 3HB TRP 12 -1.209 -3.465 -6.215 13 HD1 TRP 12 HD1 TRP 12 -0.637 -2.333 -2.541 14 HE1 TRP 12 HE1 TRP 12 -2.744 -2.943 -1.194 15 HE3 TRP 12 HE3 TRP 12 -3.303 -4.676 -6.220 16 HZ2 TRP 12 HZ2 TRP 12 -5.209 -4.245 -1.633 17 HZ3 TRP 12 HZ3 TRP 12 -5.527 -5.577 -5.674 18 HH2 TRP 12 HH2 TRP 12 -6.458 -5.365 -3.427 19 H THR 13 H THR 13 1.253 -5.930 -6.651 20 HA THR 13 HA THR 13 3.101 -4.309 -8.234 21 HB THR 13 HB THR 13 3.931 -6.418 -9.141 22 HG1 THR 13 HG1 THR 13 2.365 -7.885 -9.194 23 1HG2 THR 13 1HG2 THR 13 3.976 -5.695 -6.356 24 2HG2 THR 13 2HG2 THR 13 5.258 -6.390 -7.349 25 3HG2 THR 13 3HG2 THR 13 4.103 -7.445 -6.534 26 H GLU 14 H GLU 14 2.888 -3.957 -10.404 27 HA GLU 14 HA GLU 14 0.249 -4.518 -11.531 28 1HB GLU 14 2HB GLU 14 1.689 -2.227 -11.519 29 2HB GLU 14 3HB GLU 14 2.190 -2.898 -13.065 30 1HG GLU 14 2HG GLU 14 -0.477 -3.234 -13.238 31 2HG GLU 14 3HG GLU 14 -0.400 -1.789 -12.231 32 H HIS 15 H HIS 15 0.103 -6.394 -12.575 33 HA HIS 15 HA HIS 15 2.206 -7.061 -14.521 34 1HB HIS 15 2HB HIS 15 1.309 -8.616 -12.233 35 2HB HIS 15 3HB HIS 15 1.127 -9.507 -13.741 36 HD1 HIS 15 HD1 HIS 15 3.172 -10.625 -14.604 37 HD2 HIS 15 HD2 HIS 15 4.063 -7.650 -11.844 38 HE1 HIS 15 HE1 HIS 15 5.652 -10.786 -14.220 39 H LYS 16 H LYS 16 1.474 -7.399 -16.515 40 HA LYS 16 HA LYS 16 -1.422 -7.593 -16.915 41 1HB LYS 16 2HB LYS 16 -0.823 -7.065 -19.314 42 2HB LYS 16 3HB LYS 16 -0.475 -5.796 -18.147 43 1HG LYS 16 2HG LYS 16 1.866 -6.379 -18.147 44 2HG LYS 16 3HG LYS 16 1.553 -7.749 -19.215 45 1HD LYS 16 2HD LYS 16 0.795 -4.965 -20.027 46 2HD LYS 16 3HD LYS 16 2.448 -5.548 -20.235 47 1HE LYS 16 2HE LYS 16 0.035 -7.005 -21.292 48 2HE LYS 16 3HE LYS 16 0.929 -5.812 -22.232 49 1HZ LYS 16 1HZ LYS 16 1.541 -8.534 -21.778 50 2HZ LYS 16 2HZ LYS 16 2.806 -7.567 -21.210 51 3HZ LYS 16 3HZ LYS 16 2.297 -7.434 -22.817 52 H SER 17 H SER 17 -2.384 -9.275 -17.959 53 HA SER 17 HA SER 17 -1.124 -11.789 -17.927 54 1HB SER 17 2HB SER 17 -3.296 -12.348 -17.971 55 2HB SER 17 3HB SER 17 -3.748 -10.738 -18.530 56 HG SER 17 HG SER 17 -4.339 -12.306 -20.055 57 HA PRO 18 HA PRO 18 0.869 -12.204 -21.812 58 1HB PRO 18 2HB PRO 18 0.197 -14.720 -22.578 59 2HB PRO 18 3HB PRO 18 1.320 -14.387 -21.254 60 1HG PRO 18 2HG PRO 18 -1.586 -15.095 -21.139 61 2HG PRO 18 3HG PRO 18 -0.250 -15.688 -20.136 62 1HD PRO 18 2HD PRO 18 -1.963 -13.767 -19.295 63 2HD PRO 18 3HD PRO 18 -0.260 -13.814 -18.794 64 H ASP 19 H ASP 19 -2.463 -12.052 -21.619 65 HA ASP 19 HA ASP 19 -2.826 -12.256 -24.527 66 1HB ASP 19 2HB ASP 19 -4.348 -13.558 -23.000 67 2HB ASP 19 3HB ASP 19 -4.973 -12.020 -22.413 68 H GLY 20 H GLY 20 -2.158 -9.988 -22.224 69 1HA GLY 20 2HA GLY 20 -1.894 -7.690 -22.730 70 2HA GLY 20 3HA GLY 20 -3.128 -7.847 -23.971 71 H ARG 21 H ARG 21 -3.033 -8.562 -20.478 72 HA ARG 21 HA ARG 21 -5.245 -6.669 -20.104 73 1HB ARG 21 2HB ARG 21 -6.033 -9.090 -20.306 74 2HB ARG 21 3HB ARG 21 -5.214 -9.374 -18.775 75 1HG ARG 21 2HG ARG 21 -7.486 -8.997 -18.267 76 2HG ARG 21 3HG ARG 21 -6.622 -7.529 -17.806 77 1HD ARG 21 2HD ARG 21 -8.638 -6.897 -18.937 78 2HD ARG 21 3HD ARG 21 -7.271 -6.534 -19.990 79 HE ARG 21 HE ARG 21 -8.465 -9.110 -20.463 80 1HH1 ARG 21 2HH1 ARG 21 -8.557 -5.714 -21.226 81 2HH1 ARG 21 1HH1 ARG 21 -9.342 -5.945 -22.753 82 1HH2 ARG 21 2HH2 ARG 21 -9.499 -9.427 -22.472 83 2HH2 ARG 21 1HH2 ARG 21 -9.878 -8.057 -23.460 84 H THR 22 H THR 22 -4.120 -5.171 -18.968 85 HA THR 22 HA THR 22 -2.147 -5.765 -17.028 86 HB THR 22 HB THR 22 -3.733 -3.204 -17.115 87 HG1 THR 22 HG1 THR 22 -3.081 -3.294 -19.178 88 1HG2 THR 22 1HG2 THR 22 -2.296 -2.879 -15.391 89 2HG2 THR 22 2HG2 THR 22 -1.168 -2.507 -16.694 90 3HG2 THR 22 3HG2 THR 22 -1.168 -4.110 -15.959 91 H TYR 23 H TYR 23 -2.550 -6.787 -15.180 92 HA TYR 23 HA TYR 23 -4.942 -6.002 -13.648 93 1HB TYR 23 2HB TYR 23 -5.077 -8.294 -12.792 94 2HB TYR 23 3HB TYR 23 -5.197 -8.272 -14.548 95 HD1 TYR 23 HD1 TYR 23 -3.678 -9.486 -15.879 96 HD2 TYR 23 HD2 TYR 23 -2.874 -8.942 -11.736 97 HE1 TYR 23 HE1 TYR 23 -1.835 -11.107 -16.029 98 HE2 TYR 23 HE2 TYR 23 -1.028 -10.561 -11.876 99 HH TYR 23 HH TYR 23 -0.140 -12.073 -14.961 100 H TYR 24 H TYR 24 -4.741 -5.945 -11.381 101 HA TYR 24 HA TYR 24 -1.979 -5.557 -10.472 102 1HB TYR 24 2HB TYR 24 -4.555 -4.687 -9.146 103 2HB TYR 24 3HB TYR 24 -2.924 -4.241 -8.657 104 HD1 TYR 24 HD1 TYR 24 -1.822 -2.402 -9.645 105 HD2 TYR 24 HD2 TYR 24 -5.426 -3.869 -11.366 106 HE1 TYR 24 HE1 TYR 24 -1.917 -0.430 -11.111 107 HE2 TYR 24 HE2 TYR 24 -5.531 -1.902 -12.838 108 HH TYR 24 HH TYR 24 -4.646 0.475 -12.799 109 H TYR 25 H TYR 25 -1.126 -6.647 -8.756 110 HA TYR 25 HA TYR 25 -2.829 -8.642 -7.428 111 1HB TYR 25 2HB TYR 25 -1.566 -9.834 -9.120 112 2HB TYR 25 3HB TYR 25 -0.065 -9.102 -8.566 113 HD1 TYR 25 HD1 TYR 25 -2.522 -11.717 -7.988 114 HD2 TYR 25 HD2 TYR 25 0.927 -9.789 -6.410 115 HE1 TYR 25 HE1 TYR 25 -2.180 -13.603 -6.448 116 HE2 TYR 25 HE2 TYR 25 1.280 -11.670 -4.866 117 HH TYR 25 HH TYR 25 0.016 -14.585 -5.199 118 H ASN 26 H ASN 26 -2.803 -8.360 -5.308 119 HA ASN 26 HA ASN 26 -0.784 -6.713 -4.062 120 1HB ASN 26 2HB ASN 26 -3.204 -6.574 -3.455 121 2HB ASN 26 3HB ASN 26 -3.085 -8.192 -2.770 122 1HD2 ASN 26 1HD2 ASN 26 -0.928 -5.383 -2.644 123 2HD2 ASN 26 2HD2 ASN 26 -0.880 -5.282 -0.920 124 H THR 27 H THR 27 1.011 -7.425 -3.133 125 HA THR 27 HA THR 27 1.517 -10.256 -2.918 126 HB THR 27 HB THR 27 3.768 -9.695 -2.388 127 HG1 THR 27 HG1 THR 27 4.212 -7.320 -2.070 128 1HG2 THR 27 1HG2 THR 27 2.525 -8.773 -4.678 129 2HG2 THR 27 2HG2 THR 27 4.266 -8.916 -4.428 130 3HG2 THR 27 3HG2 THR 27 3.455 -7.380 -4.126 131 H GLU 28 H GLU 28 0.177 -7.916 -0.905 132 HA GLU 28 HA GLU 28 1.121 -9.061 1.585 133 1HB GLU 28 2HB GLU 28 0.563 -6.581 1.152 134 2HB GLU 28 3HB GLU 28 -1.118 -7.070 1.311 135 1HG GLU 28 2HG GLU 28 -0.252 -6.182 3.398 136 2HG GLU 28 3HG GLU 28 -0.692 -7.881 3.560 137 H THR 29 H THR 29 -1.832 -9.008 -0.345 138 HA THR 29 HA THR 29 -3.049 -10.934 1.517 139 HB THR 29 HB THR 29 -5.201 -10.363 0.553 140 HG1 THR 29 HG1 THR 29 -4.030 -8.330 -1.011 141 1HG2 THR 29 1HG2 THR 29 -5.308 -7.951 1.171 142 2HG2 THR 29 2HG2 THR 29 -3.547 -7.941 1.270 143 3HG2 THR 29 3HG2 THR 29 -4.486 -8.950 2.369 144 H LYS 30 H LYS 30 -1.337 -10.870 -1.287 145 HA LYS 30 HA LYS 30 -1.014 -12.310 -3.020 146 1HB LYS 30 2HB LYS 30 -2.420 -14.251 -1.175 147 2HB LYS 30 3HB LYS 30 -1.438 -14.685 -2.568 148 1HG LYS 30 2HG LYS 30 -0.256 -13.044 -0.373 149 2HG LYS 30 3HG LYS 30 -0.425 -14.791 -0.183 150 1HD LYS 30 2HD LYS 30 0.876 -13.586 -2.607 151 2HD LYS 30 3HD LYS 30 1.785 -13.896 -1.127 152 1HE LYS 30 2HE LYS 30 0.182 -15.983 -2.596 153 2HE LYS 30 3HE LYS 30 1.910 -15.723 -2.829 154 1HZ LYS 30 1HZ LYS 30 1.259 -15.992 -0.071 155 2HZ LYS 30 2HZ LYS 30 2.362 -16.873 -1.003 156 3HZ LYS 30 3HZ LYS 30 0.737 -17.340 -0.950 157 H GLN 31 H GLN 31 -3.347 -10.689 -3.150 158 HA GLN 31 HA GLN 31 -5.220 -12.465 -4.567 159 1HB GLN 31 2HB GLN 31 -5.698 -9.781 -3.265 160 2HB GLN 31 3HB GLN 31 -6.887 -10.628 -4.245 161 1HG GLN 31 2HG GLN 31 -6.242 -12.557 -2.468 162 2HG GLN 31 3HG GLN 31 -6.020 -11.111 -1.484 163 1HE2 GLN 31 1HE2 GLN 31 -8.136 -13.408 -2.011 164 2HE2 GLN 31 2HE2 GLN 31 -9.627 -12.549 -1.854 165 H SER 32 H SER 32 -6.406 -11.323 -6.390 166 HA SER 32 HA SER 32 -4.706 -9.386 -7.787 167 1HB SER 32 2HB SER 32 -4.340 -10.681 -9.638 168 2HB SER 32 3HB SER 32 -4.465 -11.976 -8.448 169 HG SER 32 HG SER 32 -6.110 -12.665 -9.537 170 H THR 33 H THR 33 -5.785 -8.153 -9.388 171 HA THR 33 HA THR 33 -8.643 -8.487 -9.735 172 HB THR 33 HB THR 33 -8.455 -7.184 -7.624 173 HG1 THR 33 HG1 THR 33 -9.708 -5.292 -8.624 174 1HG2 THR 33 1HG2 THR 33 -7.690 -4.844 -7.756 175 2HG2 THR 33 2HG2 THR 33 -7.157 -5.125 -9.414 176 3HG2 THR 33 3HG2 THR 33 -6.386 -5.986 -8.081 177 H TRP 34 H TRP 34 -9.517 -6.638 -11.145 178 HA TRP 34 HA TRP 34 -7.557 -6.172 -13.276 179 1HB TRP 34 2HB TRP 34 -10.566 -5.900 -13.412 180 2HB TRP 34 3HB TRP 34 -9.439 -5.900 -14.766 181 HD1 TRP 34 HD1 TRP 34 -11.638 -8.161 -12.853 182 HE1 TRP 34 HE1 TRP 34 -11.178 -10.616 -13.477 183 HE3 TRP 34 HE3 TRP 34 -7.238 -7.545 -15.382 184 HZ2 TRP 34 HZ2 TRP 34 -9.210 -12.095 -14.858 185 HZ3 TRP 34 HZ3 TRP 34 -6.131 -9.531 -16.323 186 HH2 TRP 34 HH2 TRP 34 -7.097 -11.758 -16.065 187 H GLU 35 H GLU 35 -9.352 -4.558 -10.853 188 HA GLU 35 HA GLU 35 -9.095 -1.956 -12.155 189 1HB GLU 35 2HB GLU 35 -10.358 -2.718 -9.515 190 2HB GLU 35 3HB GLU 35 -10.378 -1.109 -10.224 191 1HG GLU 35 2HG GLU 35 -11.606 -2.033 -12.166 192 2HG GLU 35 3HG GLU 35 -11.678 -3.585 -11.333 193 H LYS 36 H LYS 36 -8.147 -0.149 -10.986 194 HA LYS 36 HA LYS 36 -5.575 -0.793 -9.960 195 1HB LYS 36 2HB LYS 36 -5.381 1.661 -9.583 196 2HB LYS 36 3HB LYS 36 -5.871 1.238 -11.219 197 1HG LYS 36 2HG LYS 36 -8.281 1.549 -10.014 198 2HG LYS 36 3HG LYS 36 -7.302 2.733 -9.145 199 1HD LYS 36 2HD LYS 36 -8.043 3.990 -10.925 200 2HD LYS 36 3HD LYS 36 -6.505 3.391 -11.551 201 1HE LYS 36 2HE LYS 36 -7.605 1.689 -12.817 202 2HE LYS 36 3HE LYS 36 -9.151 2.037 -12.043 203 1HZ LYS 36 1HZ LYS 36 -8.619 4.410 -13.065 204 2HZ LYS 36 2HZ LYS 36 -9.441 3.213 -13.932 205 3HZ LYS 36 3HZ LYS 36 -7.787 3.458 -14.189 206 HA PRO 37 HA PRO 37 -6.282 -1.100 -5.638 207 1HB PRO 37 2HB PRO 37 -3.997 -0.017 -4.650 208 2HB PRO 37 3HB PRO 37 -4.050 -1.603 -5.428 209 1HG PRO 37 2HG PRO 37 -3.214 1.038 -6.564 210 2HG PRO 37 3HG PRO 37 -2.454 -0.553 -6.755 211 1HD PRO 37 2HD PRO 37 -4.044 0.539 -8.655 212 2HD PRO 37 3HD PRO 37 -3.950 -1.213 -8.380 213 H ASP 38 H ASP 38 -5.718 1.986 -7.095 214 HA ASP 38 HA ASP 38 -6.201 3.541 -4.730 215 1HB ASP 38 2HB ASP 38 -6.472 4.575 -7.542 216 2HB ASP 38 3HB ASP 38 -5.958 5.439 -6.096 217 H ASP 39 H ASP 39 -8.128 2.155 -7.265 218 HA ASP 39 HA ASP 39 -10.473 3.725 -6.576 219 1HB ASP 39 2HB ASP 39 -9.992 3.096 -8.936 220 2HB ASP 39 3HB ASP 39 -10.221 1.405 -8.501 Start of MODEL 9 1 1H GLY 10 H GLY 10 -0.286 -0.414 0.101 2 1HA GLY 10 2HA GLY 10 1.390 0.265 -1.534 3 2HA GLY 10 3HA GLY 10 2.173 0.086 0.029 4 H SER 11 H SER 11 1.024 -2.720 -1.655 5 HA SER 11 HA SER 11 3.715 -3.308 -2.654 6 1HB SER 11 2HB SER 11 2.228 -5.486 -1.237 7 2HB SER 11 3HB SER 11 3.962 -5.301 -1.496 8 HG SER 11 HG SER 11 3.697 -3.398 -0.029 9 H TRP 12 H TRP 12 1.240 -2.566 -3.969 10 HA TRP 12 HA TRP 12 0.252 -5.000 -5.200 11 1HB TRP 12 2HB TRP 12 -0.419 -2.087 -5.656 12 2HB TRP 12 3HB TRP 12 -1.187 -3.422 -6.510 13 HD1 TRP 12 HD1 TRP 12 -0.752 -2.185 -2.859 14 HE1 TRP 12 HE1 TRP 12 -2.866 -2.842 -1.545 15 HE3 TRP 12 HE3 TRP 12 -3.207 -4.781 -6.515 16 HZ2 TRP 12 HZ2 TRP 12 -5.257 -4.272 -1.998 17 HZ3 TRP 12 HZ3 TRP 12 -5.402 -5.763 -5.994 18 HH2 TRP 12 HH2 TRP 12 -6.404 -5.513 -3.781 19 H THR 13 H THR 13 1.226 -5.917 -6.870 20 HA THR 13 HA THR 13 3.106 -4.357 -8.475 21 HB THR 13 HB THR 13 3.927 -6.475 -9.325 22 HG1 THR 13 HG1 THR 13 2.901 -8.412 -8.227 23 1HG2 THR 13 1HG2 THR 13 3.511 -6.558 -6.334 24 2HG2 THR 13 2HG2 THR 13 4.822 -5.739 -7.182 25 3HG2 THR 13 3HG2 THR 13 4.707 -7.498 -7.225 26 H GLU 14 H GLU 14 2.898 -4.020 -10.646 27 HA GLU 14 HA GLU 14 0.260 -4.592 -11.780 28 1HB GLU 14 2HB GLU 14 1.734 -2.290 -11.760 29 2HB GLU 14 3HB GLU 14 2.128 -2.944 -13.344 30 1HG GLU 14 2HG GLU 14 -0.048 -2.790 -14.099 31 2HG GLU 14 3HG GLU 14 -0.720 -2.769 -12.469 32 H HIS 15 H HIS 15 0.121 -6.421 -12.895 33 HA HIS 15 HA HIS 15 2.246 -7.042 -14.828 34 1HB HIS 15 2HB HIS 15 1.440 -8.624 -12.535 35 2HB HIS 15 3HB HIS 15 1.210 -9.517 -14.035 36 HD1 HIS 15 HD1 HIS 15 3.493 -9.762 -11.655 37 HD2 HIS 15 HD2 HIS 15 3.934 -8.489 -15.585 38 HE1 HIS 15 HE1 HIS 15 5.921 -10.116 -12.208 39 H LYS 16 H LYS 16 1.518 -7.435 -16.818 40 HA LYS 16 HA LYS 16 -1.378 -7.676 -17.203 41 1HB LYS 16 2HB LYS 16 -0.801 -7.144 -19.606 42 2HB LYS 16 3HB LYS 16 -0.471 -5.865 -18.445 43 1HG LYS 16 2HG LYS 16 1.868 -6.335 -18.484 44 2HG LYS 16 3HG LYS 16 1.611 -7.791 -19.448 45 1HD LYS 16 2HD LYS 16 0.832 -5.047 -20.407 46 2HD LYS 16 3HD LYS 16 2.431 -5.738 -20.694 47 1HE LYS 16 2HE LYS 16 1.315 -7.686 -21.777 48 2HE LYS 16 3HE LYS 16 -0.222 -6.838 -21.612 49 1HZ LYS 16 1HZ LYS 16 2.108 -6.093 -23.274 50 2HZ LYS 16 2HZ LYS 16 0.899 -4.976 -22.887 51 3HZ LYS 16 3HZ LYS 16 0.513 -6.370 -23.765 52 H SER 17 H SER 17 -2.313 -9.380 -18.236 53 HA SER 17 HA SER 17 -1.005 -11.868 -18.203 54 1HB SER 17 2HB SER 17 -3.117 -12.593 -18.374 55 2HB SER 17 3HB SER 17 -3.643 -10.927 -18.610 56 HG SER 17 HG SER 17 -3.757 -12.884 -20.346 57 HA PRO 18 HA PRO 18 0.974 -12.261 -22.097 58 1HB PRO 18 2HB PRO 18 0.341 -14.790 -22.854 59 2HB PRO 18 3HB PRO 18 1.465 -14.434 -21.536 60 1HG PRO 18 2HG PRO 18 -1.428 -15.192 -21.406 61 2HG PRO 18 3HG PRO 18 -0.077 -15.759 -20.407 62 1HD PRO 18 2HD PRO 18 -1.818 -13.865 -19.562 63 2HD PRO 18 3HD PRO 18 -0.112 -13.882 -19.070 64 H ASP 19 H ASP 19 -2.359 -12.165 -21.888 65 HA ASP 19 HA ASP 19 -2.736 -12.387 -24.792 66 1HB ASP 19 2HB ASP 19 -4.231 -13.698 -23.243 67 2HB ASP 19 3HB ASP 19 -4.875 -12.162 -22.669 68 H GLY 20 H GLY 20 -2.095 -10.097 -22.498 69 1HA GLY 20 2HA GLY 20 -1.861 -7.798 -23.017 70 2HA GLY 20 3HA GLY 20 -3.095 -7.979 -24.256 71 H ARG 21 H ARG 21 -2.980 -8.665 -20.758 72 HA ARG 21 HA ARG 21 -5.214 -6.798 -20.389 73 1HB ARG 21 2HB ARG 21 -5.979 -9.228 -20.590 74 2HB ARG 21 3HB ARG 21 -5.164 -9.500 -19.056 75 1HG ARG 21 2HG ARG 21 -7.421 -9.140 -18.526 76 2HG ARG 21 3HG ARG 21 -6.594 -7.635 -18.120 77 1HD ARG 21 2HD ARG 21 -7.250 -6.973 -20.568 78 2HD ARG 21 3HD ARG 21 -8.470 -8.230 -20.363 79 HE ARG 21 HE ARG 21 -8.800 -6.735 -18.152 80 1HH1 ARG 21 2HH1 ARG 21 -8.584 -5.922 -21.530 81 2HH1 ARG 21 1HH1 ARG 21 -9.609 -4.531 -21.395 82 1HH2 ARG 21 2HH2 ARG 21 -10.151 -4.906 -17.961 83 2HH2 ARG 21 1HH2 ARG 21 -10.498 -3.954 -19.364 84 H THR 22 H THR 22 -4.126 -5.290 -19.239 85 HA THR 22 HA THR 22 -2.138 -5.862 -17.305 86 HB THR 22 HB THR 22 -3.771 -3.327 -17.422 87 HG1 THR 22 HG1 THR 22 -1.547 -4.129 -19.014 88 1HG2 THR 22 1HG2 THR 22 -1.236 -4.180 -16.162 89 2HG2 THR 22 2HG2 THR 22 -2.409 -2.969 -15.644 90 3HG2 THR 22 3HG2 THR 22 -1.238 -2.581 -16.904 91 H TYR 23 H TYR 23 -2.508 -6.870 -15.445 92 HA TYR 23 HA TYR 23 -4.919 -6.141 -13.917 93 1HB TYR 23 2HB TYR 23 -5.004 -8.435 -13.058 94 2HB TYR 23 3HB TYR 23 -5.127 -8.417 -14.814 95 HD1 TYR 23 HD1 TYR 23 -2.788 -9.037 -12.004 96 HD2 TYR 23 HD2 TYR 23 -3.580 -9.594 -16.147 97 HE1 TYR 23 HE1 TYR 23 -0.908 -10.616 -12.144 98 HE2 TYR 23 HE2 TYR 23 -1.703 -11.177 -16.299 99 HH TYR 23 HH TYR 23 -0.262 -12.448 -15.074 100 H TYR 24 H TYR 24 -4.716 -6.033 -11.663 101 HA TYR 24 HA TYR 24 -1.958 -5.633 -10.748 102 1HB TYR 24 2HB TYR 24 -4.523 -4.733 -9.425 103 2HB TYR 24 3HB TYR 24 -2.887 -4.256 -8.986 104 HD1 TYR 24 HD1 TYR 24 -1.798 -2.466 -10.092 105 HD2 TYR 24 HD2 TYR 24 -5.476 -3.969 -11.615 106 HE1 TYR 24 HE1 TYR 24 -1.944 -0.544 -11.620 107 HE2 TYR 24 HE2 TYR 24 -5.632 -2.052 -13.148 108 HH TYR 24 HH TYR 24 -3.744 -0.405 -14.234 109 H TYR 25 H TYR 25 -1.131 -6.671 -8.980 110 HA TYR 25 HA TYR 25 -2.850 -8.631 -7.624 111 1HB TYR 25 2HB TYR 25 -1.617 -9.897 -9.265 112 2HB TYR 25 3HB TYR 25 -0.104 -9.138 -8.781 113 HD1 TYR 25 HD1 TYR 25 -2.551 -11.720 -8.014 114 HD2 TYR 25 HD2 TYR 25 0.963 -9.749 -6.647 115 HE1 TYR 25 HE1 TYR 25 -2.161 -13.542 -6.407 116 HE2 TYR 25 HE2 TYR 25 1.363 -11.565 -5.038 117 HH TYR 25 HH TYR 25 0.539 -14.256 -5.057 118 H ASN 26 H ASN 26 -2.822 -8.301 -5.511 119 HA ASN 26 HA ASN 26 -0.795 -6.643 -4.299 120 1HB ASN 26 2HB ASN 26 -3.209 -6.482 -3.688 121 2HB ASN 26 3HB ASN 26 -3.100 -8.091 -2.980 122 1HD2 ASN 26 1HD2 ASN 26 -0.995 -5.237 -2.895 123 2HD2 ASN 26 2HD2 ASN 26 -0.918 -5.134 -1.172 124 H THR 27 H THR 27 1.010 -7.348 -3.385 125 HA THR 27 HA THR 27 1.494 -10.177 -3.097 126 HB THR 27 HB THR 27 3.758 -9.623 -2.619 127 HG1 THR 27 HG1 THR 27 4.394 -7.548 -2.036 128 1HG2 THR 27 1HG2 THR 27 2.656 -7.635 -4.609 129 2HG2 THR 27 2HG2 THR 27 3.151 -9.293 -4.949 130 3HG2 THR 27 3HG2 THR 27 4.352 -8.096 -4.466 131 H GLU 28 H GLU 28 0.185 -7.781 -1.140 132 HA GLU 28 HA GLU 28 1.173 -8.827 1.373 133 1HB GLU 28 2HB GLU 28 -0.567 -6.561 0.535 134 2HB GLU 28 3HB GLU 28 -0.773 -7.186 2.165 135 1HG GLU 28 2HG GLU 28 1.598 -6.802 2.613 136 2HG GLU 28 3HG GLU 28 1.799 -6.167 0.981 137 H THR 29 H THR 29 -1.797 -8.908 -0.525 138 HA THR 29 HA THR 29 -2.953 -10.790 1.420 139 HB THR 29 HB THR 29 -5.132 -10.297 0.427 140 HG1 THR 29 HG1 THR 29 -5.145 -8.452 -1.100 141 1HG2 THR 29 1HG2 THR 29 -4.571 -8.901 2.265 142 2HG2 THR 29 2HG2 THR 29 -5.241 -7.840 1.025 143 3HG2 THR 29 3HG2 THR 29 -3.497 -7.914 1.275 144 H LYS 30 H LYS 30 -1.337 -10.735 -1.465 145 HA LYS 30 HA LYS 30 -0.971 -12.260 -3.111 146 1HB LYS 30 2HB LYS 30 -2.516 -14.213 -1.407 147 2HB LYS 30 3HB LYS 30 -1.285 -14.578 -2.609 148 1HG LYS 30 2HG LYS 30 0.146 -14.683 -0.915 149 2HG LYS 30 3HG LYS 30 0.026 -12.923 -0.837 150 1HD LYS 30 2HD LYS 30 -0.559 -13.353 1.307 151 2HD LYS 30 3HD LYS 30 -2.153 -13.588 0.585 152 1HE LYS 30 2HE LYS 30 -1.841 -15.469 1.941 153 2HE LYS 30 3HE LYS 30 -1.472 -16.035 0.313 154 1HZ LYS 30 1HZ LYS 30 0.109 -16.464 2.397 155 2HZ LYS 30 2HZ LYS 30 0.770 -15.006 1.850 156 3HZ LYS 30 3HZ LYS 30 0.689 -16.339 0.812 157 H GLN 31 H GLN 31 -3.459 -10.649 -3.041 158 HA GLN 31 HA GLN 31 -5.275 -12.388 -4.557 159 1HB GLN 31 2HB GLN 31 -5.709 -9.693 -3.265 160 2HB GLN 31 3HB GLN 31 -6.906 -10.500 -4.270 161 1HG GLN 31 2HG GLN 31 -6.440 -12.470 -2.545 162 2HG GLN 31 3HG GLN 31 -6.021 -11.102 -1.515 163 1HE2 GLN 31 1HE2 GLN 31 -7.960 -12.237 -0.441 164 2HE2 GLN 31 2HE2 GLN 31 -9.508 -11.568 -0.814 165 H SER 32 H SER 32 -6.427 -11.267 -6.405 166 HA SER 32 HA SER 32 -4.715 -9.348 -7.809 167 1HB SER 32 2HB SER 32 -5.726 -11.278 -9.694 168 2HB SER 32 3HB SER 32 -4.058 -10.796 -9.388 169 HG SER 32 HG SER 32 -5.382 -12.575 -7.651 170 H THR 33 H THR 33 -5.780 -8.181 -9.486 171 HA THR 33 HA THR 33 -8.635 -8.532 -9.836 172 HB THR 33 HB THR 33 -8.500 -7.160 -7.783 173 HG1 THR 33 HG1 THR 33 -9.917 -5.546 -8.562 174 1HG2 THR 33 1HG2 THR 33 -6.410 -6.010 -8.140 175 2HG2 THR 33 2HG2 THR 33 -7.697 -4.814 -7.996 176 3HG2 THR 33 3HG2 THR 33 -7.045 -5.222 -9.583 177 H TRP 34 H TRP 34 -9.513 -6.810 -11.355 178 HA TRP 34 HA TRP 34 -7.535 -6.390 -13.474 179 1HB TRP 34 2HB TRP 34 -10.550 -6.189 -13.621 180 2HB TRP 34 3HB TRP 34 -9.430 -6.158 -14.980 181 HD1 TRP 34 HD1 TRP 34 -11.509 -8.488 -12.996 182 HE1 TRP 34 HE1 TRP 34 -10.973 -10.927 -13.620 183 HE3 TRP 34 HE3 TRP 34 -7.210 -7.720 -15.654 184 HZ2 TRP 34 HZ2 TRP 34 -8.990 -12.339 -15.049 185 HZ3 TRP 34 HZ3 TRP 34 -6.055 -9.668 -16.616 186 HH2 TRP 34 HH2 TRP 34 -6.927 -11.928 -16.318 187 H GLU 35 H GLU 35 -9.338 -4.694 -11.123 188 HA GLU 35 HA GLU 35 -8.943 -2.139 -12.518 189 1HB GLU 35 2HB GLU 35 -10.589 -1.195 -11.080 190 2HB GLU 35 3HB GLU 35 -11.227 -2.734 -11.638 191 1HG GLU 35 2HG GLU 35 -10.189 -3.642 -9.425 192 2HG GLU 35 3HG GLU 35 -10.267 -1.952 -8.930 193 H LYS 36 H LYS 36 -8.034 -0.348 -11.381 194 HA LYS 36 HA LYS 36 -5.651 -0.836 -10.085 195 1HB LYS 36 2HB LYS 36 -7.355 1.497 -10.559 196 2HB LYS 36 3HB LYS 36 -6.381 1.635 -9.101 197 1HG LYS 36 2HG LYS 36 -4.543 0.730 -10.884 198 2HG LYS 36 3HG LYS 36 -5.585 1.709 -11.918 199 1HD LYS 36 2HD LYS 36 -4.506 2.723 -9.300 200 2HD LYS 36 3HD LYS 36 -3.615 2.888 -10.815 201 1HE LYS 36 2HE LYS 36 -6.378 3.958 -10.242 202 2HE LYS 36 3HE LYS 36 -4.894 4.905 -10.328 203 1HZ LYS 36 1HZ LYS 36 -6.472 3.722 -12.483 204 2HZ LYS 36 2HZ LYS 36 -4.794 3.771 -12.690 205 3HZ LYS 36 3HZ LYS 36 -5.656 5.203 -12.428 206 HA PRO 37 HA PRO 37 -6.501 -1.783 -5.885 207 1HB PRO 37 2HB PRO 37 -4.499 -0.480 -4.595 208 2HB PRO 37 3HB PRO 37 -4.230 -1.932 -5.566 209 1HG PRO 37 2HG PRO 37 -3.808 0.941 -6.296 210 2HG PRO 37 3HG PRO 37 -2.772 -0.461 -6.623 211 1HD PRO 37 2HD PRO 37 -4.420 0.600 -8.491 212 2HD PRO 37 3HD PRO 37 -4.036 -1.132 -8.429 213 H ASP 38 H ASP 38 -6.572 1.460 -6.977 214 HA ASP 38 HA ASP 38 -7.683 2.418 -4.435 215 1HB ASP 38 2HB ASP 38 -7.509 4.685 -5.563 216 2HB ASP 38 3HB ASP 38 -5.981 3.876 -5.229 217 H ASP 39 H ASP 39 -9.219 0.636 -6.016 218 HA ASP 39 HA ASP 39 -11.158 2.185 -7.491 219 1HB ASP 39 2HB ASP 39 -12.300 0.052 -7.834 220 2HB ASP 39 3HB ASP 39 -10.582 -0.108 -8.185 Start of MODEL 10 1 1H GLY 10 H GLY 10 1.768 1.383 -0.383 2 1HA GLY 10 2HA GLY 10 1.089 -0.737 0.184 3 2HA GLY 10 3HA GLY 10 0.208 -0.769 -1.337 4 H SER 11 H SER 11 0.713 -2.897 -1.806 5 HA SER 11 HA SER 11 3.465 -3.313 -2.726 6 1HB SER 11 2HB SER 11 2.751 -4.401 -0.382 7 2HB SER 11 3HB SER 11 2.123 -5.647 -1.459 8 HG SER 11 HG SER 11 4.770 -4.642 -1.597 9 H TRP 12 H TRP 12 0.971 -2.708 -4.100 10 HA TRP 12 HA TRP 12 0.147 -5.167 -5.382 11 1HB TRP 12 2HB TRP 12 -0.594 -2.278 -5.877 12 2HB TRP 12 3HB TRP 12 -1.276 -3.636 -6.768 13 HD1 TRP 12 HD1 TRP 12 -1.095 -2.329 -3.124 14 HE1 TRP 12 HE1 TRP 12 -3.233 -3.081 -1.904 15 HE3 TRP 12 HE3 TRP 12 -3.197 -5.148 -6.835 16 HZ2 TRP 12 HZ2 TRP 12 -5.509 -4.661 -2.443 17 HZ3 TRP 12 HZ3 TRP 12 -5.356 -6.247 -6.402 18 HH2 TRP 12 HH2 TRP 12 -6.486 -6.008 -4.251 19 H THR 13 H THR 13 1.138 -6.045 -7.065 20 HA THR 13 HA THR 13 3.096 -4.463 -8.553 21 HB THR 13 HB THR 13 3.903 -6.594 -9.444 22 HG1 THR 13 HG1 THR 13 1.777 -7.709 -7.903 23 1HG2 THR 13 1HG2 THR 13 3.520 -6.531 -6.451 24 2HG2 THR 13 2HG2 THR 13 4.887 -5.901 -7.370 25 3HG2 THR 13 3HG2 THR 13 4.610 -7.640 -7.282 26 H GLU 14 H GLU 14 2.963 -4.056 -10.713 27 HA GLU 14 HA GLU 14 0.368 -4.528 -11.956 28 1HB GLU 14 2HB GLU 14 1.958 -2.323 -11.909 29 2HB GLU 14 3HB GLU 14 2.427 -3.032 -13.448 30 1HG GLU 14 2HG GLU 14 -0.204 -3.194 -13.740 31 2HG GLU 14 3HG GLU 14 -0.151 -1.843 -12.610 32 H HIS 15 H HIS 15 0.223 -6.481 -12.880 33 HA HIS 15 HA HIS 15 2.323 -7.232 -14.802 34 1HB HIS 15 2HB HIS 15 1.360 -8.708 -12.489 35 2HB HIS 15 3HB HIS 15 1.173 -9.631 -13.977 36 HD1 HIS 15 HD1 HIS 15 3.332 -9.867 -11.472 37 HD2 HIS 15 HD2 HIS 15 3.998 -8.763 -15.421 38 HE1 HIS 15 HE1 HIS 15 5.769 -10.324 -11.896 39 H LYS 16 H LYS 16 1.607 -7.592 -16.798 40 HA LYS 16 HA LYS 16 -1.288 -7.742 -17.228 41 1HB LYS 16 2HB LYS 16 -0.653 -7.259 -19.628 42 2HB LYS 16 3HB LYS 16 -0.302 -5.978 -18.476 43 1HG LYS 16 2HG LYS 16 2.024 -6.546 -18.456 44 2HG LYS 16 3HG LYS 16 1.727 -7.979 -19.443 45 1HD LYS 16 2HD LYS 16 0.687 -6.174 -21.084 46 2HD LYS 16 3HD LYS 16 1.799 -5.110 -20.219 47 1HE LYS 16 2HE LYS 16 2.587 -7.699 -21.548 48 2HE LYS 16 3HE LYS 16 2.763 -6.106 -22.281 49 1HZ LYS 16 1HZ LYS 16 4.210 -5.481 -20.425 50 2HZ LYS 16 2HZ LYS 16 4.830 -6.797 -21.288 51 3HZ LYS 16 3HZ LYS 16 4.082 -7.044 -19.791 52 H SER 17 H SER 17 -2.264 -9.429 -18.247 53 HA SER 17 HA SER 17 -1.037 -11.957 -18.170 54 1HB SER 17 2HB SER 17 -3.214 -12.492 -18.222 55 2HB SER 17 3HB SER 17 -3.643 -10.883 -18.802 56 HG SER 17 HG SER 17 -4.228 -12.123 -20.458 57 HA PRO 18 HA PRO 18 0.974 -12.459 -22.035 58 1HB PRO 18 2HB PRO 18 0.269 -14.975 -22.770 59 2HB PRO 18 3HB PRO 18 1.388 -14.640 -21.443 60 1HG PRO 18 2HG PRO 18 -1.529 -15.303 -21.339 61 2HG PRO 18 3HG PRO 18 -0.209 -15.902 -20.318 62 1HD PRO 18 2HD PRO 18 -1.898 -13.943 -19.516 63 2HD PRO 18 3HD PRO 18 -0.199 -14.009 -19.003 64 H ASP 19 H ASP 19 -2.356 -12.253 -21.868 65 HA ASP 19 HA ASP 19 -2.705 -12.496 -24.774 66 1HB ASP 19 2HB ASP 19 -4.258 -13.741 -23.225 67 2HB ASP 19 3HB ASP 19 -4.863 -12.178 -22.683 68 H GLY 20 H GLY 20 -2.021 -10.202 -22.496 69 1HA GLY 20 2HA GLY 20 -1.709 -7.918 -23.037 70 2HA GLY 20 3HA GLY 20 -2.933 -8.073 -24.288 71 H ARG 21 H ARG 21 -2.880 -8.723 -20.782 72 HA ARG 21 HA ARG 21 -5.058 -6.784 -20.460 73 1HB ARG 21 2HB ARG 21 -5.898 -9.190 -20.644 74 2HB ARG 21 3HB ARG 21 -5.107 -9.472 -19.099 75 1HG ARG 21 2HG ARG 21 -7.380 -9.038 -18.633 76 2HG ARG 21 3HG ARG 21 -6.485 -7.590 -18.166 77 1HD ARG 21 2HD ARG 21 -7.053 -6.906 -20.670 78 2HD ARG 21 3HD ARG 21 -8.397 -8.015 -20.397 79 HE ARG 21 HE ARG 21 -8.079 -5.397 -19.299 80 1HH1 ARG 21 2HH1 ARG 21 -9.439 -8.549 -18.718 81 2HH1 ARG 21 1HH1 ARG 21 -10.675 -7.963 -17.655 82 1HH2 ARG 21 2HH2 ARG 21 -9.702 -4.614 -17.900 83 2HH2 ARG 21 1HH2 ARG 21 -10.824 -5.724 -17.191 84 H THR 22 H THR 22 -3.930 -5.298 -19.318 85 HA THR 22 HA THR 22 -1.985 -5.908 -17.354 86 HB THR 22 HB THR 22 -3.531 -3.323 -17.482 87 HG1 THR 22 HG1 THR 22 -1.514 -4.330 -19.198 88 1HG2 THR 22 1HG2 THR 22 -0.710 -3.068 -17.093 89 2HG2 THR 22 2HG2 THR 22 -1.347 -4.242 -15.941 90 3HG2 THR 22 3HG2 THR 22 -2.022 -2.614 -16.007 91 H TYR 23 H TYR 23 -2.405 -6.881 -15.486 92 HA TYR 23 HA TYR 23 -4.806 -6.058 -13.990 93 1HB TYR 23 2HB TYR 23 -4.985 -8.339 -13.116 94 2HB TYR 23 3HB TYR 23 -5.086 -8.332 -14.873 95 HD1 TYR 23 HD1 TYR 23 -2.799 -9.005 -12.031 96 HD2 TYR 23 HD2 TYR 23 -3.572 -9.584 -16.174 97 HE1 TYR 23 HE1 TYR 23 -0.976 -10.653 -12.134 98 HE2 TYR 23 HE2 TYR 23 -1.753 -11.235 -16.289 99 HH TYR 23 HH TYR 23 0.164 -12.060 -13.412 100 H TYR 24 H TYR 24 -4.626 -6.004 -11.716 101 HA TYR 24 HA TYR 24 -1.864 -5.657 -10.785 102 1HB TYR 24 2HB TYR 24 -4.425 -4.698 -9.494 103 2HB TYR 24 3HB TYR 24 -2.785 -4.277 -9.012 104 HD1 TYR 24 HD1 TYR 24 -1.628 -2.498 -10.055 105 HD2 TYR 24 HD2 TYR 24 -5.289 -3.894 -11.714 106 HE1 TYR 24 HE1 TYR 24 -1.678 -0.556 -11.564 107 HE2 TYR 24 HE2 TYR 24 -5.349 -1.957 -13.228 108 HH TYR 24 HH TYR 24 -3.699 -0.353 -14.232 109 H TYR 25 H TYR 25 -1.005 -6.948 -9.281 110 HA TYR 25 HA TYR 25 -2.799 -8.821 -7.879 111 1HB TYR 25 2HB TYR 25 -1.524 -10.045 -9.528 112 2HB TYR 25 3HB TYR 25 -0.022 -9.318 -8.968 113 HD1 TYR 25 HD1 TYR 25 0.953 -9.995 -6.806 114 HD2 TYR 25 HD2 TYR 25 -2.509 -11.904 -8.378 115 HE1 TYR 25 HE1 TYR 25 1.278 -11.862 -5.238 116 HE2 TYR 25 HE2 TYR 25 -2.194 -13.776 -6.814 117 HH TYR 25 HH TYR 25 0.319 -14.633 -5.454 118 H ASN 26 H ASN 26 -2.844 -8.465 -5.771 119 HA ASN 26 HA ASN 26 -0.870 -6.841 -4.468 120 1HB ASN 26 2HB ASN 26 -3.338 -6.860 -3.917 121 2HB ASN 26 3HB ASN 26 -3.081 -8.428 -3.158 122 1HD2 ASN 26 1HD2 ASN 26 -1.204 -5.420 -3.178 123 2HD2 ASN 26 2HD2 ASN 26 -1.147 -5.245 -1.460 124 H THR 27 H THR 27 0.950 -7.511 -3.557 125 HA THR 27 HA THR 27 1.523 -10.333 -3.345 126 HB THR 27 HB THR 27 3.768 -9.725 -2.860 127 HG1 THR 27 HG1 THR 27 4.329 -7.584 -2.291 128 1HG2 THR 27 1HG2 THR 27 4.317 -8.128 -4.659 129 2HG2 THR 27 2HG2 THR 27 2.610 -7.702 -4.781 130 3HG2 THR 27 3HG2 THR 27 3.142 -9.336 -5.177 131 H GLU 28 H GLU 28 0.123 -8.038 -1.341 132 HA GLU 28 HA GLU 28 1.124 -9.169 1.144 133 1HB GLU 28 2HB GLU 28 0.722 -6.721 0.902 134 2HB GLU 28 3HB GLU 28 -0.995 -7.054 0.725 135 1HG GLU 28 2HG GLU 28 -1.174 -7.827 2.947 136 2HG GLU 28 3HG GLU 28 0.576 -7.897 3.140 137 H THR 29 H THR 29 -1.843 -9.086 -0.757 138 HA THR 29 HA THR 29 -3.097 -10.948 1.140 139 HB THR 29 HB THR 29 -5.222 -10.421 0.028 140 HG1 THR 29 HG1 THR 29 -4.323 -9.913 -2.052 141 1HG2 THR 29 1HG2 THR 29 -4.499 -9.049 1.930 142 2HG2 THR 29 2HG2 THR 29 -5.438 -8.103 0.775 143 3HG2 THR 29 3HG2 THR 29 -3.682 -7.948 0.823 144 H LYS 30 H LYS 30 -1.477 -10.883 -1.794 145 HA LYS 30 HA LYS 30 -1.077 -12.449 -3.395 146 1HB LYS 30 2HB LYS 30 -2.634 -14.402 -1.706 147 2HB LYS 30 3HB LYS 30 -1.351 -14.751 -2.858 148 1HG LYS 30 2HG LYS 30 -0.011 -14.843 -1.084 149 2HG LYS 30 3HG LYS 30 -0.110 -13.080 -1.074 150 1HD LYS 30 2HD LYS 30 -1.533 -13.036 0.707 151 2HD LYS 30 3HD LYS 30 -2.279 -14.580 0.288 152 1HE LYS 30 2HE LYS 30 -1.051 -15.502 1.898 153 2HE LYS 30 3HE LYS 30 0.363 -15.210 0.886 154 1HZ LYS 30 1HZ LYS 30 -0.170 -12.817 2.147 155 2HZ LYS 30 2HZ LYS 30 1.099 -13.884 2.482 156 3HZ LYS 30 3HZ LYS 30 -0.351 -13.997 3.346 157 H GLN 31 H GLN 31 -3.423 -10.793 -3.556 158 HA GLN 31 HA GLN 31 -5.271 -12.570 -5.005 159 1HB GLN 31 2HB GLN 31 -5.759 -9.857 -3.767 160 2HB GLN 31 3HB GLN 31 -6.937 -10.735 -4.733 161 1HG GLN 31 2HG GLN 31 -6.384 -12.623 -2.932 162 2HG GLN 31 3HG GLN 31 -6.031 -11.195 -1.961 163 1HE2 GLN 31 1HE2 GLN 31 -7.728 -9.548 -1.850 164 2HE2 GLN 31 2HE2 GLN 31 -9.379 -10.059 -1.864 165 H SER 32 H SER 32 -6.427 -11.407 -6.851 166 HA SER 32 HA SER 32 -4.674 -9.518 -8.243 167 1HB SER 32 2HB SER 32 -4.310 -10.832 -10.087 168 2HB SER 32 3HB SER 32 -4.436 -12.107 -8.875 169 HG SER 32 HG SER 32 -5.835 -12.736 -10.401 170 H THR 33 H THR 33 -5.713 -8.134 -9.650 171 HA THR 33 HA THR 33 -8.572 -8.483 -10.119 172 HB THR 33 HB THR 33 -8.372 -7.179 -8.005 173 HG1 THR 33 HG1 THR 33 -10.207 -6.761 -9.157 174 1HG2 THR 33 1HG2 THR 33 -7.588 -4.841 -8.155 175 2HG2 THR 33 2HG2 THR 33 -7.036 -5.152 -9.801 176 3HG2 THR 33 3HG2 THR 33 -6.294 -6.003 -8.447 177 H TRP 34 H TRP 34 -9.399 -6.613 -11.535 178 HA TRP 34 HA TRP 34 -7.416 -6.193 -13.654 179 1HB TRP 34 2HB TRP 34 -10.417 -5.846 -13.800 180 2HB TRP 34 3HB TRP 34 -9.286 -5.864 -15.151 181 HD1 TRP 34 HD1 TRP 34 -11.557 -8.080 -13.282 182 HE1 TRP 34 HE1 TRP 34 -11.147 -10.543 -13.907 183 HE3 TRP 34 HE3 TRP 34 -7.102 -7.563 -15.734 184 HZ2 TRP 34 HZ2 TRP 34 -9.192 -12.065 -15.260 185 HZ3 TRP 34 HZ3 TRP 34 -6.027 -9.571 -16.664 186 HH2 TRP 34 HH2 TRP 34 -7.052 -11.775 -16.430 187 H GLU 35 H GLU 35 -9.213 -4.531 -11.254 188 HA GLU 35 HA GLU 35 -8.872 -1.938 -12.548 189 1HB GLU 35 2HB GLU 35 -10.234 -1.041 -10.785 190 2HB GLU 35 3HB GLU 35 -11.000 -2.509 -11.375 191 1HG GLU 35 2HG GLU 35 -11.184 -2.993 -9.200 192 2HG GLU 35 3HG GLU 35 -9.509 -3.515 -9.368 193 H LYS 36 H LYS 36 -7.937 -0.140 -11.300 194 HA LYS 36 HA LYS 36 -5.442 -0.978 -10.077 195 1HB LYS 36 2HB LYS 36 -4.921 1.473 -10.131 196 2HB LYS 36 3HB LYS 36 -5.266 0.768 -11.705 197 1HG LYS 36 2HG LYS 36 -7.665 1.795 -10.471 198 2HG LYS 36 3HG LYS 36 -6.417 3.037 -10.595 199 1HD LYS 36 2HD LYS 36 -6.380 2.960 -12.894 200 2HD LYS 36 3HD LYS 36 -6.956 1.292 -12.953 201 1HE LYS 36 2HE LYS 36 -8.676 2.805 -13.749 202 2HE LYS 36 3HE LYS 36 -9.179 2.049 -12.238 203 1HZ LYS 36 1HZ LYS 36 -9.568 4.526 -12.476 204 2HZ LYS 36 2HZ LYS 36 -7.897 4.713 -12.296 205 3HZ LYS 36 3HZ LYS 36 -8.807 4.013 -11.054 206 HA PRO 37 HA PRO 37 -6.549 -0.292 -5.885 207 1HB PRO 37 2HB PRO 37 -4.218 0.657 -4.867 208 2HB PRO 37 3HB PRO 37 -4.446 -1.034 -5.330 209 1HG PRO 37 2HG PRO 37 -3.122 1.183 -6.845 210 2HG PRO 37 3HG PRO 37 -2.601 -0.500 -6.642 211 1HD PRO 37 2HD PRO 37 -3.838 0.381 -8.884 212 2HD PRO 37 3HD PRO 37 -4.036 -1.273 -8.271 213 H ASP 38 H ASP 38 -8.017 1.491 -6.602 214 HA ASP 38 HA ASP 38 -7.000 4.103 -5.691 215 1HB ASP 38 2HB ASP 38 -7.585 3.946 -8.147 216 2HB ASP 38 3HB ASP 38 -9.257 3.691 -7.655 217 H ASP 39 H ASP 39 -7.884 2.439 -3.776 218 HA ASP 39 HA ASP 39 -10.628 3.339 -3.192 219 1HB ASP 39 2HB ASP 39 -10.325 0.879 -3.320 220 2HB ASP 39 3HB ASP 39 -9.145 0.978 -2.016 Start of MODEL 11 1 1H GLY 10 H GLY 10 1.534 1.047 -2.386 2 1HA GLY 10 2HA GLY 10 2.465 -0.071 -0.052 3 2HA GLY 10 3HA GLY 10 1.026 -0.628 -0.893 4 H SER 11 H SER 11 1.043 -2.583 -1.858 5 HA SER 11 HA SER 11 3.593 -3.922 -2.339 6 1HB SER 11 2HB SER 11 1.553 -4.749 -0.325 7 2HB SER 11 3HB SER 11 2.364 -6.014 -1.248 8 HG SER 11 HG SER 11 4.321 -4.577 -0.558 9 H TRP 12 H TRP 12 1.289 -2.824 -3.910 10 HA TRP 12 HA TRP 12 0.237 -5.257 -5.151 11 1HB TRP 12 2HB TRP 12 -0.486 -2.350 -5.582 12 2HB TRP 12 3HB TRP 12 -1.261 -3.715 -6.383 13 HD1 TRP 12 HD1 TRP 12 -0.699 -2.459 -2.749 14 HE1 TRP 12 HE1 TRP 12 -2.780 -3.083 -1.370 15 HE3 TRP 12 HE3 TRP 12 -3.315 -5.000 -6.332 16 HZ2 TRP 12 HZ2 TRP 12 -5.209 -4.470 -1.750 17 HZ3 TRP 12 HZ3 TRP 12 -5.509 -5.944 -5.742 18 HH2 TRP 12 HH2 TRP 12 -6.435 -5.684 -3.498 19 H THR 13 H THR 13 1.311 -6.100 -6.799 20 HA THR 13 HA THR 13 3.148 -4.435 -8.341 21 HB THR 13 HB THR 13 4.014 -6.518 -9.265 22 HG1 THR 13 HG1 THR 13 2.354 -8.044 -7.589 23 1HG2 THR 13 1HG2 THR 13 3.957 -5.887 -6.446 24 2HG2 THR 13 2HG2 THR 13 5.291 -6.482 -7.435 25 3HG2 THR 13 3HG2 THR 13 4.159 -7.620 -6.704 26 H GLU 14 H GLU 14 2.942 -4.005 -10.489 27 HA GLU 14 HA GLU 14 0.332 -4.557 -11.670 28 1HB GLU 14 2HB GLU 14 1.817 -2.286 -11.622 29 2HB GLU 14 3HB GLU 14 2.296 -2.949 -13.179 30 1HG GLU 14 2HG GLU 14 -0.375 -3.232 -13.345 31 2HG GLU 14 3HG GLU 14 -0.272 -1.808 -12.312 32 H HIS 15 H HIS 15 0.193 -6.440 -12.708 33 HA HIS 15 HA HIS 15 2.298 -7.097 -14.655 34 1HB HIS 15 2HB HIS 15 1.393 -8.667 -12.375 35 2HB HIS 15 3HB HIS 15 1.238 -9.550 -13.891 36 HD1 HIS 15 HD1 HIS 15 3.564 -9.517 -15.382 37 HD2 HIS 15 HD2 HIS 15 3.870 -8.810 -11.299 38 HE1 HIS 15 HE1 HIS 15 5.974 -9.943 -14.804 39 H LYS 16 H LYS 16 1.567 -7.434 -16.650 40 HA LYS 16 HA LYS 16 -1.329 -7.627 -17.051 41 1HB LYS 16 2HB LYS 16 -0.732 -7.099 -19.448 42 2HB LYS 16 3HB LYS 16 -0.371 -5.833 -18.282 43 1HG LYS 16 2HG LYS 16 1.954 -6.357 -18.322 44 2HG LYS 16 3HG LYS 16 1.665 -7.809 -19.282 45 1HD LYS 16 2HD LYS 16 0.767 -5.178 -20.354 46 2HD LYS 16 3HD LYS 16 2.486 -5.573 -20.406 47 1HE LYS 16 2HE LYS 16 1.775 -7.771 -21.484 48 2HE LYS 16 3HE LYS 16 0.192 -7.025 -21.696 49 1HZ LYS 16 1HZ LYS 16 0.984 -5.559 -23.234 50 2HZ LYS 16 2HZ LYS 16 2.002 -6.872 -23.551 51 3HZ LYS 16 3HZ LYS 16 2.562 -5.572 -22.626 52 H SER 17 H SER 17 -2.293 -9.309 -18.095 53 HA SER 17 HA SER 17 -1.037 -11.824 -18.060 54 1HB SER 17 2HB SER 17 -3.130 -12.586 -18.373 55 2HB SER 17 3HB SER 17 -3.640 -10.899 -18.336 56 HG SER 17 HG SER 17 -3.877 -10.905 -20.452 57 HA PRO 18 HA PRO 18 0.954 -12.246 -21.945 58 1HB PRO 18 2HB PRO 18 0.278 -14.763 -22.707 59 2HB PRO 18 3HB PRO 18 1.403 -14.429 -21.385 60 1HG PRO 18 2HG PRO 18 -1.504 -15.134 -21.267 61 2HG PRO 18 3HG PRO 18 -0.168 -15.727 -20.264 62 1HD PRO 18 2HD PRO 18 -1.878 -13.803 -19.424 63 2HD PRO 18 3HD PRO 18 -0.175 -13.851 -18.925 64 H ASP 19 H ASP 19 -2.378 -12.089 -21.750 65 HA ASP 19 HA ASP 19 -2.747 -12.302 -24.656 66 1HB ASP 19 2HB ASP 19 -4.271 -13.585 -23.112 67 2HB ASP 19 3HB ASP 19 -4.891 -12.037 -22.544 68 H GLY 20 H GLY 20 -2.078 -10.026 -22.354 69 1HA GLY 20 2HA GLY 20 -1.797 -7.732 -22.874 70 2HA GLY 20 3HA GLY 20 -3.032 -7.888 -24.115 71 H ARG 21 H ARG 21 -2.939 -8.583 -20.618 72 HA ARG 21 HA ARG 21 -5.137 -6.674 -20.251 73 1HB ARG 21 2HB ARG 21 -5.947 -9.089 -20.456 74 2HB ARG 21 3HB ARG 21 -5.139 -9.378 -18.921 75 1HG ARG 21 2HG ARG 21 -7.419 -8.978 -18.441 76 2HG ARG 21 3HG ARG 21 -6.533 -7.533 -17.950 77 1HD ARG 21 2HD ARG 21 -7.377 -6.266 -19.677 78 2HD ARG 21 3HD ARG 21 -7.678 -7.671 -20.699 79 HE ARG 21 HE ARG 21 -9.398 -7.985 -18.611 80 1HH1 ARG 21 2HH1 ARG 21 -8.776 -5.443 -20.908 81 2HH1 ARG 21 1HH1 ARG 21 -10.408 -4.859 -20.900 82 1HH2 ARG 21 2HH2 ARG 21 -11.549 -7.226 -18.593 83 2HH2 ARG 21 1HH2 ARG 21 -11.983 -5.874 -19.583 84 H THR 22 H THR 22 -4.019 -5.187 -19.101 85 HA THR 22 HA THR 22 -2.047 -5.797 -17.163 86 HB THR 22 HB THR 22 -3.620 -3.228 -17.223 87 HG1 THR 22 HG1 THR 22 -1.480 -4.034 -18.928 88 1HG2 THR 22 1HG2 THR 22 -0.848 -4.030 -16.373 89 2HG2 THR 22 2HG2 THR 22 -2.109 -3.250 -15.418 90 3HG2 THR 22 3HG2 THR 22 -1.280 -2.349 -16.686 91 H TYR 23 H TYR 23 -2.451 -6.818 -15.316 92 HA TYR 23 HA TYR 23 -4.842 -6.032 -13.783 93 1HB TYR 23 2HB TYR 23 -4.993 -8.326 -12.940 94 2HB TYR 23 3HB TYR 23 -5.103 -8.299 -14.696 95 HD1 TYR 23 HD1 TYR 23 -3.584 -9.519 -16.020 96 HD2 TYR 23 HD2 TYR 23 -2.796 -8.983 -11.874 97 HE1 TYR 23 HE1 TYR 23 -1.747 -11.148 -16.164 98 HE2 TYR 23 HE2 TYR 23 -0.956 -10.609 -12.007 99 HH TYR 23 HH TYR 23 -0.457 -12.687 -13.698 100 H TYR 24 H TYR 24 -4.646 -6.053 -11.498 101 HA TYR 24 HA TYR 24 -1.882 -5.659 -10.592 102 1HB TYR 24 2HB TYR 24 -4.451 -4.787 -9.255 103 2HB TYR 24 3HB TYR 24 -2.817 -4.346 -8.772 104 HD1 TYR 24 HD1 TYR 24 -5.330 -3.958 -11.469 105 HD2 TYR 24 HD2 TYR 24 -1.716 -2.506 -9.757 106 HE1 TYR 24 HE1 TYR 24 -5.438 -1.983 -12.931 107 HE2 TYR 24 HE2 TYR 24 -1.815 -0.526 -11.214 108 HH TYR 24 HH TYR 24 -3.266 0.713 -12.541 109 H TYR 25 H TYR 25 -1.027 -6.787 -8.909 110 HA TYR 25 HA TYR 25 -2.745 -8.779 -7.591 111 1HB TYR 25 2HB TYR 25 -1.485 -9.965 -9.285 112 2HB TYR 25 3HB TYR 25 0.018 -9.235 -8.732 113 HD1 TYR 25 HD1 TYR 25 -2.432 -11.857 -8.165 114 HD2 TYR 25 HD2 TYR 25 1.012 -9.927 -6.577 115 HE1 TYR 25 HE1 TYR 25 -2.083 -13.751 -6.635 116 HE2 TYR 25 HE2 TYR 25 1.370 -11.816 -5.043 117 HH TYR 25 HH TYR 25 0.212 -14.703 -5.378 118 H ASN 26 H ASN 26 -2.748 -8.452 -5.478 119 HA ASN 26 HA ASN 26 -0.733 -6.836 -4.208 120 1HB ASN 26 2HB ASN 26 -3.163 -6.741 -3.607 121 2HB ASN 26 3HB ASN 26 -3.010 -8.355 -2.920 122 1HD2 ASN 26 1HD2 ASN 26 -0.915 -5.499 -2.803 123 2HD2 ASN 26 2HD2 ASN 26 -0.863 -5.397 -1.079 124 H THR 27 H THR 27 1.074 -7.543 -3.300 125 HA THR 27 HA THR 27 1.603 -10.371 -3.108 126 HB THR 27 HB THR 27 3.850 -9.802 -2.604 127 HG1 THR 27 HG1 THR 27 4.422 -7.643 -2.018 128 1HG2 THR 27 1HG2 THR 27 2.656 -8.940 -4.878 129 2HG2 THR 27 2HG2 THR 27 4.391 -8.839 -4.575 130 3HG2 THR 27 3HG2 THR 27 3.363 -7.436 -4.289 131 H GLU 28 H GLU 28 0.281 -8.036 -1.063 132 HA GLU 28 HA GLU 28 1.232 -9.203 1.410 133 1HB GLU 28 2HB GLU 28 0.626 -6.718 0.963 134 2HB GLU 28 3HB GLU 28 -1.034 -7.244 1.206 135 1HG GLU 28 2HG GLU 28 -0.005 -6.306 3.234 136 2HG GLU 28 3HG GLU 28 -0.536 -7.975 3.436 137 H THR 29 H THR 29 -1.737 -9.140 -0.495 138 HA THR 29 HA THR 29 -2.935 -11.088 1.356 139 HB THR 29 HB THR 29 -5.092 -10.524 0.399 140 HG1 THR 29 HG1 THR 29 -4.419 -10.056 -1.738 141 1HG2 THR 29 1HG2 THR 29 -5.114 -8.027 0.938 142 2HG2 THR 29 2HG2 THR 29 -3.385 -8.195 1.243 143 3HG2 THR 29 3HG2 THR 29 -4.543 -9.113 2.205 144 H LYS 30 H LYS 30 -1.223 -11.011 -1.444 145 HA LYS 30 HA LYS 30 -0.900 -12.440 -3.185 146 1HB LYS 30 2HB LYS 30 -2.364 -14.487 -1.524 147 2HB LYS 30 3HB LYS 30 -1.114 -14.769 -2.728 148 1HG LYS 30 2HG LYS 30 0.302 -14.877 -1.020 149 2HG LYS 30 3HG LYS 30 0.133 -13.123 -0.911 150 1HD LYS 30 2HD LYS 30 -1.972 -13.723 0.530 151 2HD LYS 30 3HD LYS 30 -1.137 -15.263 0.739 152 1HE LYS 30 2HE LYS 30 0.401 -12.752 1.162 153 2HE LYS 30 3HE LYS 30 -0.762 -13.234 2.396 154 1HZ LYS 30 1HZ LYS 30 0.558 -14.871 3.089 155 2HZ LYS 30 2HZ LYS 30 1.792 -14.117 2.211 156 3HZ LYS 30 3HZ LYS 30 0.919 -15.391 1.520 157 H GLN 31 H GLN 31 -3.245 -10.827 -3.294 158 HA GLN 31 HA GLN 31 -5.110 -12.601 -4.725 159 1HB GLN 31 2HB GLN 31 -5.602 -9.923 -3.416 160 2HB GLN 31 3HB GLN 31 -6.789 -10.786 -4.385 161 1HG GLN 31 2HG GLN 31 -5.569 -12.267 -2.138 162 2HG GLN 31 3HG GLN 31 -6.674 -10.956 -1.730 163 1HE2 GLN 31 1HE2 GLN 31 -8.706 -11.526 -1.520 164 2HE2 GLN 31 2HE2 GLN 31 -9.478 -12.866 -2.290 165 H SER 32 H SER 32 -6.317 -11.425 -6.526 166 HA SER 32 HA SER 32 -4.619 -9.484 -7.917 167 1HB SER 32 2HB SER 32 -4.268 -10.760 -9.786 168 2HB SER 32 3HB SER 32 -4.371 -12.063 -8.602 169 HG SER 32 HG SER 32 -6.259 -12.647 -9.388 170 H THR 33 H THR 33 -5.705 -8.242 -9.511 171 HA THR 33 HA THR 33 -8.565 -8.572 -9.843 172 HB THR 33 HB THR 33 -8.356 -7.278 -7.724 173 HG1 THR 33 HG1 THR 33 -10.132 -6.317 -8.350 174 1HG2 THR 33 1HG2 THR 33 -6.301 -6.068 -8.188 175 2HG2 THR 33 2HG2 THR 33 -7.609 -4.928 -7.870 176 3HG2 THR 33 3HG2 THR 33 -7.076 -5.219 -9.525 177 H TRP 34 H TRP 34 -9.451 -6.748 -11.256 178 HA TRP 34 HA TRP 34 -7.493 -6.249 -13.382 179 1HB TRP 34 2HB TRP 34 -10.507 -6.032 -13.513 180 2HB TRP 34 3HB TRP 34 -9.385 -5.985 -14.870 181 HD1 TRP 34 HD1 TRP 34 -11.513 -8.329 -12.968 182 HE1 TRP 34 HE1 TRP 34 -11.000 -10.761 -13.634 183 HE3 TRP 34 HE3 TRP 34 -7.161 -7.565 -15.540 184 HZ2 TRP 34 HZ2 TRP 34 -9.013 -12.170 -15.061 185 HZ3 TRP 34 HZ3 TRP 34 -6.016 -9.508 -16.524 186 HH2 TRP 34 HH2 TRP 34 -6.924 -11.762 -16.288 187 H GLU 35 H GLU 35 -9.254 -4.666 -10.932 188 HA GLU 35 HA GLU 35 -9.034 -2.056 -12.237 189 1HB GLU 35 2HB GLU 35 -10.335 -2.838 -9.622 190 2HB GLU 35 3HB GLU 35 -10.355 -1.227 -10.323 191 1HG GLU 35 2HG GLU 35 -11.537 -2.164 -12.296 192 2HG GLU 35 3HG GLU 35 -11.625 -3.709 -11.452 193 H LYS 36 H LYS 36 -8.028 -0.274 -11.162 194 HA LYS 36 HA LYS 36 -5.510 -0.915 -10.035 195 1HB LYS 36 2HB LYS 36 -5.351 1.572 -9.663 196 2HB LYS 36 3HB LYS 36 -5.680 1.083 -11.320 197 1HG LYS 36 2HG LYS 36 -8.122 1.520 -9.835 198 2HG LYS 36 3HG LYS 36 -7.081 2.945 -9.826 199 1HD LYS 36 2HD LYS 36 -6.897 2.223 -12.421 200 2HD LYS 36 3HD LYS 36 -8.529 1.663 -12.053 201 1HE LYS 36 2HE LYS 36 -9.079 3.902 -11.192 202 2HE LYS 36 3HE LYS 36 -7.458 4.450 -11.616 203 1HZ LYS 36 1HZ LYS 36 -8.326 4.991 -13.572 204 2HZ LYS 36 2HZ LYS 36 -9.759 4.143 -13.280 205 3HZ LYS 36 3HZ LYS 36 -8.415 3.337 -13.915 206 HA PRO 37 HA PRO 37 -6.307 -1.102 -5.723 207 1HB PRO 37 2HB PRO 37 -4.047 0.010 -4.711 208 2HB PRO 37 3HB PRO 37 -4.079 -1.595 -5.450 209 1HG PRO 37 2HG PRO 37 -3.222 1.017 -6.633 210 2HG PRO 37 3HG PRO 37 -2.455 -0.576 -6.766 211 1HD PRO 37 2HD PRO 37 -4.003 0.464 -8.729 212 2HD PRO 37 3HD PRO 37 -3.913 -1.280 -8.407 213 H ASP 38 H ASP 38 -5.803 1.926 -7.278 214 HA ASP 38 HA ASP 38 -6.098 3.661 -5.072 215 1HB ASP 38 2HB ASP 38 -6.825 4.135 -7.972 216 2HB ASP 38 3HB ASP 38 -6.629 5.382 -6.744 217 H ASP 39 H ASP 39 -8.368 1.828 -6.942 218 HA ASP 39 HA ASP 39 -10.600 3.173 -5.570 219 1HB ASP 39 2HB ASP 39 -10.358 1.857 -8.242 220 2HB ASP 39 3HB ASP 39 -11.919 1.831 -7.426 Start of MODEL 12 1 1H GLY 10 H GLY 10 1.549 1.742 -0.357 2 1HA GLY 10 2HA GLY 10 0.954 -0.695 0.247 3 2HA GLY 10 3HA GLY 10 0.637 -0.193 -1.407 4 H SER 11 H SER 11 0.845 -2.674 -1.490 5 HA SER 11 HA SER 11 3.571 -3.260 -2.386 6 1HB SER 11 2HB SER 11 2.923 -4.170 0.011 7 2HB SER 11 3HB SER 11 2.092 -5.412 -0.926 8 HG SER 11 HG SER 11 4.312 -5.398 -2.079 9 H TRP 12 H TRP 12 1.118 -2.622 -3.795 10 HA TRP 12 HA TRP 12 0.233 -5.135 -4.954 11 1HB TRP 12 2HB TRP 12 -0.550 -2.272 -5.535 12 2HB TRP 12 3HB TRP 12 -1.266 -3.679 -6.315 13 HD1 TRP 12 HD1 TRP 12 -0.796 -2.385 -2.678 14 HE1 TRP 12 HE1 TRP 12 -2.916 -2.990 -1.349 15 HE3 TRP 12 HE3 TRP 12 -3.348 -4.899 -6.324 16 HZ2 TRP 12 HZ2 TRP 12 -5.348 -4.353 -1.789 17 HZ3 TRP 12 HZ3 TRP 12 -5.565 -5.824 -5.789 18 HH2 TRP 12 HH2 TRP 12 -6.542 -5.556 -3.567 19 H THR 13 H THR 13 1.183 -6.044 -6.645 20 HA THR 13 HA THR 13 3.113 -4.504 -8.201 21 HB THR 13 HB THR 13 3.748 -6.709 -9.172 22 HG1 THR 13 HG1 THR 13 1.472 -7.525 -8.455 23 1HG2 THR 13 1HG2 THR 13 5.123 -6.125 -7.398 24 2HG2 THR 13 2HG2 THR 13 4.505 -7.693 -6.881 25 3HG2 THR 13 3HG2 THR 13 3.813 -6.212 -6.221 26 H GLU 14 H GLU 14 2.987 -4.183 -10.396 27 HA GLU 14 HA GLU 14 0.339 -4.617 -11.575 28 1HB GLU 14 2HB GLU 14 1.836 -2.359 -11.481 29 2HB GLU 14 3HB GLU 14 2.337 -3.006 -13.037 30 1HG GLU 14 2HG GLU 14 -0.351 -3.271 -13.214 31 2HG GLU 14 3HG GLU 14 -0.216 -1.825 -12.215 32 H HIS 15 H HIS 15 0.179 -6.463 -12.668 33 HA HIS 15 HA HIS 15 2.300 -7.119 -14.595 34 1HB HIS 15 2HB HIS 15 1.430 -8.691 -12.325 35 2HB HIS 15 3HB HIS 15 1.168 -9.566 -13.831 36 HD1 HIS 15 HD1 HIS 15 3.409 -10.022 -11.495 37 HD2 HIS 15 HD2 HIS 15 3.959 -8.519 -15.329 38 HE1 HIS 15 HE1 HIS 15 5.829 -10.435 -12.038 39 H LYS 16 H LYS 16 1.578 -7.421 -16.599 40 HA LYS 16 HA LYS 16 -1.315 -7.585 -17.023 41 1HB LYS 16 2HB LYS 16 -0.696 -7.042 -19.410 42 2HB LYS 16 3HB LYS 16 -0.328 -5.790 -18.230 43 1HG LYS 16 2HG LYS 16 1.995 -6.364 -18.248 44 2HG LYS 16 3HG LYS 16 1.684 -7.778 -19.259 45 1HD LYS 16 2HD LYS 16 1.027 -4.977 -20.141 46 2HD LYS 16 3HD LYS 16 2.601 -5.720 -20.432 47 1HE LYS 16 2HE LYS 16 1.199 -7.662 -21.443 48 2HE LYS 16 3HE LYS 16 -0.077 -6.451 -21.546 49 1HZ LYS 16 1HZ LYS 16 1.039 -6.388 -23.591 50 2HZ LYS 16 2HZ LYS 16 2.569 -6.426 -22.871 51 3HZ LYS 16 3HZ LYS 16 1.611 -5.038 -22.747 52 H SER 17 H SER 17 -2.291 -9.252 -18.073 53 HA SER 17 HA SER 17 -1.054 -11.778 -18.062 54 1HB SER 17 2HB SER 17 -3.172 -12.477 -18.300 55 2HB SER 17 3HB SER 17 -3.659 -10.786 -18.404 56 HG SER 17 HG SER 17 -4.107 -11.112 -20.419 57 HA PRO 18 HA PRO 18 0.926 -12.180 -21.954 58 1HB PRO 18 2HB PRO 18 0.229 -14.684 -22.738 59 2HB PRO 18 3HB PRO 18 1.358 -14.371 -21.415 60 1HG PRO 18 2HG PRO 18 -1.554 -15.055 -21.298 61 2HG PRO 18 3HG PRO 18 -0.220 -15.667 -20.303 62 1HD PRO 18 2HD PRO 18 -1.914 -13.738 -19.442 63 2HD PRO 18 3HD PRO 18 -0.210 -13.803 -18.947 64 H ASP 19 H ASP 19 -2.403 -11.995 -21.752 65 HA ASP 19 HA ASP 19 -2.785 -12.189 -24.657 66 1HB ASP 19 2HB ASP 19 -4.321 -13.449 -23.098 67 2HB ASP 19 3HB ASP 19 -4.922 -11.889 -22.543 68 H GLY 20 H GLY 20 -2.076 -9.929 -22.349 69 1HA GLY 20 2HA GLY 20 -1.763 -7.638 -22.859 70 2HA GLY 20 3HA GLY 20 -2.996 -7.772 -24.104 71 H ARG 21 H ARG 21 -2.918 -8.471 -20.608 72 HA ARG 21 HA ARG 21 -5.082 -6.527 -20.238 73 1HB ARG 21 2HB ARG 21 -5.947 -8.919 -20.471 74 2HB ARG 21 3HB ARG 21 -5.154 -9.243 -18.935 75 1HG ARG 21 2HG ARG 21 -6.580 -7.806 -17.764 76 2HG ARG 21 3HG ARG 21 -7.138 -7.018 -19.242 77 1HD ARG 21 2HD ARG 21 -7.606 -9.925 -19.066 78 2HD ARG 21 3HD ARG 21 -8.526 -8.926 -17.942 79 HE ARG 21 HE ARG 21 -8.978 -9.194 -20.725 80 1HH1 ARG 21 2HH1 ARG 21 -9.045 -6.863 -18.140 81 2HH1 ARG 21 1HH1 ARG 21 -10.250 -5.871 -18.891 82 1HH2 ARG 21 2HH2 ARG 21 -10.565 -7.895 -21.724 83 2HH2 ARG 21 1HH2 ARG 21 -11.115 -6.459 -20.929 84 H THR 22 H THR 22 -3.956 -5.075 -19.057 85 HA THR 22 HA THR 22 -2.003 -5.745 -17.117 86 HB THR 22 HB THR 22 -3.527 -3.147 -17.157 87 HG1 THR 22 HG1 THR 22 -2.473 -2.558 -18.934 88 1HG2 THR 22 1HG2 THR 22 -0.792 -4.025 -16.275 89 2HG2 THR 22 2HG2 THR 22 -2.038 -3.190 -15.346 90 3HG2 THR 22 3HG2 THR 22 -1.155 -2.332 -16.609 91 H TYR 23 H TYR 23 -2.451 -6.800 -15.298 92 HA TYR 23 HA TYR 23 -4.835 -5.988 -13.769 93 1HB TYR 23 2HB TYR 23 -5.021 -8.287 -12.949 94 2HB TYR 23 3HB TYR 23 -5.113 -8.243 -14.706 95 HD1 TYR 23 HD1 TYR 23 -2.837 -8.971 -11.867 96 HD2 TYR 23 HD2 TYR 23 -3.597 -9.474 -16.023 97 HE1 TYR 23 HE1 TYR 23 -1.015 -10.618 -11.995 98 HE2 TYR 23 HE2 TYR 23 -1.778 -11.123 -16.162 99 HH TYR 23 HH TYR 23 0.181 -11.943 -13.314 100 H TYR 24 H TYR 24 -4.656 -5.998 -11.491 101 HA TYR 24 HA TYR 24 -1.895 -5.657 -10.556 102 1HB TYR 24 2HB TYR 24 -4.462 -4.764 -9.230 103 2HB TYR 24 3HB TYR 24 -2.826 -4.342 -8.739 104 HD1 TYR 24 HD1 TYR 24 -1.696 -2.513 -9.719 105 HD2 TYR 24 HD2 TYR 24 -5.332 -3.908 -11.433 106 HE1 TYR 24 HE1 TYR 24 -1.769 -0.526 -11.166 107 HE2 TYR 24 HE2 TYR 24 -5.414 -1.925 -12.886 108 HH TYR 24 HH TYR 24 -3.820 -0.266 -13.828 109 H TYR 25 H TYR 25 -1.144 -6.660 -8.694 110 HA TYR 25 HA TYR 25 -2.872 -8.690 -7.471 111 1HB TYR 25 2HB TYR 25 -1.563 -9.860 -9.163 112 2HB TYR 25 3HB TYR 25 -0.075 -9.184 -8.512 113 HD1 TYR 25 HD1 TYR 25 0.730 -9.912 -6.269 114 HD2 TYR 25 HD2 TYR 25 -2.570 -11.785 -8.193 115 HE1 TYR 25 HE1 TYR 25 0.951 -11.840 -4.758 116 HE2 TYR 25 HE2 TYR 25 -2.359 -13.718 -6.687 117 HH TYR 25 HH TYR 25 0.129 -14.552 -5.105 118 H ASN 26 H ASN 26 -2.910 -8.364 -5.358 119 HA ASN 26 HA ASN 26 -0.916 -6.750 -4.054 120 1HB ASN 26 2HB ASN 26 -3.351 -6.649 -3.491 121 2HB ASN 26 3HB ASN 26 -3.218 -8.268 -2.811 122 1HD2 ASN 26 1HD2 ASN 26 -1.112 -5.423 -2.638 123 2HD2 ASN 26 2HD2 ASN 26 -1.090 -5.332 -0.913 124 H THR 27 H THR 27 0.863 -7.447 -3.080 125 HA THR 27 HA THR 27 1.392 -10.279 -2.887 126 HB THR 27 HB THR 27 3.632 -9.706 -2.332 127 HG1 THR 27 HG1 THR 27 2.469 -7.281 -1.528 128 1HG2 THR 27 1HG2 THR 27 4.244 -8.085 -4.099 129 2HG2 THR 27 2HG2 THR 27 2.539 -7.671 -4.277 130 3HG2 THR 27 3HG2 THR 27 3.096 -9.300 -4.660 131 H GLU 28 H GLU 28 0.113 -7.883 -0.852 132 HA GLU 28 HA GLU 28 1.008 -9.036 1.634 133 1HB GLU 28 2HB GLU 28 0.281 -6.561 1.074 134 2HB GLU 28 3HB GLU 28 -1.319 -7.169 1.474 135 1HG GLU 28 2HG GLU 28 -0.716 -7.639 3.683 136 2HG GLU 28 3HG GLU 28 1.007 -7.535 3.326 137 H THR 29 H THR 29 -1.955 -9.028 -0.290 138 HA THR 29 HA THR 29 -3.135 -10.982 1.562 139 HB THR 29 HB THR 29 -5.286 -10.465 0.594 140 HG1 THR 29 HG1 THR 29 -5.373 -8.792 -1.056 141 1HG2 THR 29 1HG2 THR 29 -3.639 -8.038 1.285 142 2HG2 THR 29 2HG2 THR 29 -4.693 -8.973 2.347 143 3HG2 THR 29 3HG2 THR 29 -5.387 -7.984 1.063 144 H LYS 30 H LYS 30 -1.477 -10.828 -1.316 145 HA LYS 30 HA LYS 30 -1.064 -12.310 -2.991 146 1HB LYS 30 2HB LYS 30 -2.479 -14.274 -1.178 147 2HB LYS 30 3HB LYS 30 -1.439 -14.685 -2.535 148 1HG LYS 30 2HG LYS 30 -0.428 -13.060 -0.230 149 2HG LYS 30 3HG LYS 30 -0.458 -14.824 -0.181 150 1HD LYS 30 2HD LYS 30 0.836 -13.292 -2.423 151 2HD LYS 30 3HD LYS 30 1.706 -13.735 -0.953 152 1HE LYS 30 2HE LYS 30 0.212 -15.813 -2.501 153 2HE LYS 30 3HE LYS 30 1.808 -15.290 -3.037 154 1HZ LYS 30 1HZ LYS 30 1.428 -17.261 -1.307 155 2HZ LYS 30 2HZ LYS 30 1.558 -15.971 -0.221 156 3HZ LYS 30 3HZ LYS 30 2.816 -16.293 -1.306 157 H GLN 31 H GLN 31 -3.400 -10.720 -3.189 158 HA GLN 31 HA GLN 31 -5.229 -12.530 -4.622 159 1HB GLN 31 2HB GLN 31 -5.781 -9.836 -3.368 160 2HB GLN 31 3HB GLN 31 -6.940 -10.747 -4.326 161 1HG GLN 31 2HG GLN 31 -6.335 -12.622 -2.537 162 2HG GLN 31 3HG GLN 31 -5.987 -11.194 -1.564 163 1HE2 GLN 31 1HE2 GLN 31 -7.697 -11.554 -0.175 164 2HE2 GLN 31 2HE2 GLN 31 -9.343 -11.322 -0.645 165 H SER 32 H SER 32 -6.423 -11.367 -6.450 166 HA SER 32 HA SER 32 -4.694 -9.449 -7.839 167 1HB SER 32 2HB SER 32 -4.321 -10.754 -9.673 168 2HB SER 32 3HB SER 32 -4.525 -12.057 -8.502 169 HG SER 32 HG SER 32 -6.244 -12.646 -9.540 170 H THR 33 H THR 33 -5.751 -8.182 -9.422 171 HA THR 33 HA THR 33 -8.615 -8.473 -9.775 172 HB THR 33 HB THR 33 -8.386 -7.172 -7.658 173 HG1 THR 33 HG1 THR 33 -10.178 -6.866 -9.116 174 1HG2 THR 33 1HG2 THR 33 -7.097 -5.130 -9.472 175 2HG2 THR 33 2HG2 THR 33 -6.318 -5.987 -8.142 176 3HG2 THR 33 3HG2 THR 33 -7.612 -4.836 -7.812 177 H TRP 34 H TRP 34 -9.466 -6.653 -11.207 178 HA TRP 34 HA TRP 34 -7.486 -6.184 -13.319 179 1HB TRP 34 2HB TRP 34 -10.496 -5.933 -13.476 180 2HB TRP 34 3HB TRP 34 -9.362 -5.909 -14.824 181 HD1 TRP 34 HD1 TRP 34 -11.519 -8.218 -12.899 182 HE1 TRP 34 HE1 TRP 34 -11.036 -10.659 -13.556 183 HE3 TRP 34 HE3 TRP 34 -7.174 -7.515 -15.500 184 HZ2 TRP 34 HZ2 TRP 34 -9.073 -12.097 -14.987 185 HZ3 TRP 34 HZ3 TRP 34 -6.056 -9.475 -16.481 186 HH2 TRP 34 HH2 TRP 34 -6.987 -11.718 -16.228 187 H GLU 35 H GLU 35 -9.252 -4.571 -10.892 188 HA GLU 35 HA GLU 35 -8.998 -1.970 -12.206 189 1HB GLU 35 2HB GLU 35 -10.311 -2.725 -9.589 190 2HB GLU 35 3HB GLU 35 -10.316 -1.118 -10.300 191 1HG GLU 35 2HG GLU 35 -11.567 -1.951 -12.212 192 2HG GLU 35 3HG GLU 35 -11.538 -3.577 -11.533 193 H LYS 36 H LYS 36 -7.936 -0.208 -11.190 194 HA LYS 36 HA LYS 36 -5.442 -0.863 -10.041 195 1HB LYS 36 2HB LYS 36 -5.195 1.593 -9.735 196 2HB LYS 36 3HB LYS 36 -5.675 1.139 -11.365 197 1HG LYS 36 2HG LYS 36 -8.095 1.547 -10.318 198 2HG LYS 36 3HG LYS 36 -7.157 2.638 -9.294 199 1HD LYS 36 2HD LYS 36 -7.619 4.068 -11.007 200 2HD LYS 36 3HD LYS 36 -6.141 3.346 -11.646 201 1HE LYS 36 2HE LYS 36 -8.762 2.060 -12.251 202 2HE LYS 36 3HE LYS 36 -8.309 3.526 -13.120 203 1HZ LYS 36 1HZ LYS 36 -7.193 0.848 -13.291 204 2HZ LYS 36 2HZ LYS 36 -6.075 2.116 -13.360 205 3HZ LYS 36 3HZ LYS 36 -7.338 2.040 -14.483 206 HA PRO 37 HA PRO 37 -6.247 -1.033 -5.728 207 1HB PRO 37 2HB PRO 37 -3.958 0.024 -4.722 208 2HB PRO 37 3HB PRO 37 -4.032 -1.582 -5.457 209 1HG PRO 37 2HG PRO 37 -3.110 1.005 -6.647 210 2HG PRO 37 3HG PRO 37 -2.384 -0.608 -6.777 211 1HD PRO 37 2HD PRO 37 -3.908 0.468 -8.741 212 2HD PRO 37 3HD PRO 37 -3.861 -1.277 -8.416 213 H ASP 38 H ASP 38 -5.639 1.984 -7.280 214 HA ASP 38 HA ASP 38 -5.917 3.716 -5.066 215 1HB ASP 38 2HB ASP 38 -4.997 4.375 -7.294 216 2HB ASP 38 3HB ASP 38 -6.630 4.289 -7.949 217 H ASP 39 H ASP 39 -8.215 2.042 -7.076 218 HA ASP 39 HA ASP 39 -10.486 3.590 -6.260 219 1HB ASP 39 2HB ASP 39 -10.103 1.038 -7.791 220 2HB ASP 39 3HB ASP 39 -11.710 1.502 -7.237 Start of MODEL 13 1 1H GLY 10 H GLY 10 2.680 1.169 -1.858 2 1HA GLY 10 2HA GLY 10 1.451 -0.645 0.125 3 2HA GLY 10 3HA GLY 10 0.826 -0.416 -1.502 4 H SER 11 H SER 11 0.963 -2.742 -1.690 5 HA SER 11 HA SER 11 3.656 -3.584 -2.505 6 1HB SER 11 2HB SER 11 1.868 -5.599 -1.211 7 2HB SER 11 3HB SER 11 3.630 -5.541 -1.280 8 HG SER 11 HG SER 11 2.162 -3.613 0.163 9 H TRP 12 H TRP 12 1.221 -2.671 -3.934 10 HA TRP 12 HA TRP 12 0.238 -5.049 -5.269 11 1HB TRP 12 2HB TRP 12 -0.329 -2.108 -5.684 12 2HB TRP 12 3HB TRP 12 -1.078 -3.395 -6.625 13 HD1 TRP 12 HD1 TRP 12 -0.848 -2.247 -2.929 14 HE1 TRP 12 HE1 TRP 12 -3.046 -2.900 -1.759 15 HE3 TRP 12 HE3 TRP 12 -3.103 -4.748 -6.775 16 HZ2 TRP 12 HZ2 TRP 12 -5.421 -4.292 -2.384 17 HZ3 TRP 12 HZ3 TRP 12 -5.337 -5.711 -6.407 18 HH2 TRP 12 HH2 TRP 12 -6.470 -5.488 -4.256 19 H THR 13 H THR 13 1.220 -5.949 -6.944 20 HA THR 13 HA THR 13 3.229 -4.409 -8.418 21 HB THR 13 HB THR 13 4.041 -6.541 -9.265 22 HG1 THR 13 HG1 THR 13 3.021 -8.486 -8.483 23 1HG2 THR 13 1HG2 THR 13 3.545 -6.575 -6.286 24 2HG2 THR 13 2HG2 THR 13 4.913 -5.837 -7.118 25 3HG2 THR 13 3HG2 THR 13 4.717 -7.589 -7.126 26 H GLU 14 H GLU 14 3.065 -3.943 -10.548 27 HA GLU 14 HA GLU 14 0.486 -4.415 -11.808 28 1HB GLU 14 2HB GLU 14 2.097 -2.234 -11.772 29 2HB GLU 14 3HB GLU 14 2.585 -2.964 -13.295 30 1HG GLU 14 2HG GLU 14 -0.026 -3.100 -13.659 31 2HG GLU 14 3HG GLU 14 -0.010 -1.764 -12.509 32 H HIS 15 H HIS 15 0.291 -6.350 -12.751 33 HA HIS 15 HA HIS 15 2.388 -7.161 -14.649 34 1HB HIS 15 2HB HIS 15 1.510 -8.566 -12.303 35 2HB HIS 15 3HB HIS 15 1.092 -9.503 -13.735 36 HD1 HIS 15 HD1 HIS 15 3.754 -9.068 -11.424 37 HD2 HIS 15 HD2 HIS 15 3.533 -9.709 -15.523 38 HE1 HIS 15 HE1 HIS 15 6.016 -9.942 -12.091 39 H LYS 16 H LYS 16 1.671 -7.513 -16.645 40 HA LYS 16 HA LYS 16 -1.224 -7.604 -17.086 41 1HB LYS 16 2HB LYS 16 -0.575 -7.154 -19.485 42 2HB LYS 16 3HB LYS 16 -0.181 -5.875 -18.343 43 1HG LYS 16 2HG LYS 16 2.122 -6.483 -18.338 44 2HG LYS 16 3HG LYS 16 1.793 -7.951 -19.262 45 1HD LYS 16 2HD LYS 16 1.142 -5.225 -20.344 46 2HD LYS 16 3HD LYS 16 2.748 -5.934 -20.523 47 1HE LYS 16 2HE LYS 16 0.162 -7.166 -21.469 48 2HE LYS 16 3HE LYS 16 1.342 -6.344 -22.489 49 1HZ LYS 16 1HZ LYS 16 1.341 -9.028 -21.541 50 2HZ LYS 16 2HZ LYS 16 2.777 -8.239 -21.121 51 3HZ LYS 16 3HZ LYS 16 2.297 -8.316 -22.741 52 H SER 17 H SER 17 -2.237 -9.274 -18.098 53 HA SER 17 HA SER 17 -1.074 -11.832 -17.989 54 1HB SER 17 2HB SER 17 -3.244 -12.374 -18.106 55 2HB SER 17 3HB SER 17 -3.649 -10.719 -18.561 56 HG SER 17 HG SER 17 -3.766 -11.293 -20.599 57 HA PRO 18 HA PRO 18 0.944 -12.421 -21.838 58 1HB PRO 18 2HB PRO 18 0.181 -14.926 -22.553 59 2HB PRO 18 3HB PRO 18 1.301 -14.605 -21.224 60 1HG PRO 18 2HG PRO 18 -1.632 -15.196 -21.128 61 2HG PRO 18 3HG PRO 18 -0.332 -15.816 -20.094 62 1HD PRO 18 2HD PRO 18 -1.976 -13.809 -19.320 63 2HD PRO 18 3HD PRO 18 -0.283 -13.911 -18.798 64 H ASP 19 H ASP 19 -2.381 -12.130 -21.691 65 HA ASP 19 HA ASP 19 -2.726 -12.402 -24.594 66 1HB ASP 19 2HB ASP 19 -4.321 -13.573 -23.031 67 2HB ASP 19 3HB ASP 19 -4.881 -11.984 -22.517 68 H GLY 20 H GLY 20 -1.987 -10.094 -22.342 69 1HA GLY 20 2HA GLY 20 -1.601 -7.829 -22.916 70 2HA GLY 20 3HA GLY 20 -2.820 -7.966 -24.175 71 H ARG 21 H ARG 21 -2.810 -8.560 -20.658 72 HA ARG 21 HA ARG 21 -4.924 -6.547 -20.378 73 1HB ARG 21 2HB ARG 21 -5.852 -8.921 -20.551 74 2HB ARG 21 3HB ARG 21 -5.089 -9.219 -18.995 75 1HG ARG 21 2HG ARG 21 -6.486 -7.695 -17.892 76 2HG ARG 21 3HG ARG 21 -7.014 -6.957 -19.406 77 1HD ARG 21 2HD ARG 21 -7.547 -9.841 -19.140 78 2HD ARG 21 3HD ARG 21 -8.439 -8.799 -18.032 79 HE ARG 21 HE ARG 21 -8.516 -7.946 -20.783 80 1HH1 ARG 21 2HH1 ARG 21 -10.008 -9.919 -18.333 81 2HH1 ARG 21 1HH1 ARG 21 -11.552 -9.955 -19.117 82 1HH2 ARG 21 2HH2 ARG 21 -10.545 -7.987 -21.825 83 2HH2 ARG 21 1HH2 ARG 21 -11.856 -8.856 -21.104 84 H THR 22 H THR 22 -3.784 -5.090 -19.219 85 HA THR 22 HA THR 22 -1.870 -5.751 -17.237 86 HB THR 22 HB THR 22 -3.334 -3.121 -17.371 87 HG1 THR 22 HG1 THR 22 -1.023 -3.749 -18.894 88 1HG2 THR 22 1HG2 THR 22 -0.909 -4.150 -16.093 89 2HG2 THR 22 2HG2 THR 22 -1.885 -2.736 -15.697 90 3HG2 THR 22 3HG2 THR 22 -0.669 -2.639 -16.970 91 H TYR 23 H TYR 23 -2.319 -6.681 -15.356 92 HA TYR 23 HA TYR 23 -4.714 -5.790 -13.891 93 1HB TYR 23 2HB TYR 23 -4.969 -8.060 -13.008 94 2HB TYR 23 3HB TYR 23 -5.048 -8.062 -14.766 95 HD1 TYR 23 HD1 TYR 23 -2.810 -8.772 -11.893 96 HD2 TYR 23 HD2 TYR 23 -3.560 -9.372 -16.038 97 HE1 TYR 23 HE1 TYR 23 -1.034 -10.472 -11.962 98 HE2 TYR 23 HE2 TYR 23 -1.787 -11.074 -16.118 99 HH TYR 23 HH TYR 23 -0.210 -12.146 -14.987 100 H TYR 24 H TYR 24 -4.547 -5.688 -11.628 101 HA TYR 24 HA TYR 24 -1.788 -5.421 -10.673 102 1HB TYR 24 2HB TYR 24 -4.338 -4.400 -9.408 103 2HB TYR 24 3HB TYR 24 -2.695 -4.018 -8.906 104 HD1 TYR 24 HD1 TYR 24 -1.485 -2.267 -9.934 105 HD2 TYR 24 HD2 TYR 24 -5.153 -3.581 -11.642 106 HE1 TYR 24 HE1 TYR 24 -1.469 -0.326 -11.445 107 HE2 TYR 24 HE2 TYR 24 -5.147 -1.645 -13.159 108 HH TYR 24 HH TYR 24 -2.716 0.891 -12.891 109 H TYR 25 H TYR 25 -0.958 -6.826 -9.278 110 HA TYR 25 HA TYR 25 -2.803 -8.621 -7.841 111 1HB TYR 25 2HB TYR 25 -1.527 -9.841 -9.515 112 2HB TYR 25 3HB TYR 25 -0.020 -9.189 -8.882 113 HD1 TYR 25 HD1 TYR 25 -2.589 -11.717 -8.494 114 HD2 TYR 25 HD2 TYR 25 0.807 -9.926 -6.659 115 HE1 TYR 25 HE1 TYR 25 -2.406 -13.639 -6.970 116 HE2 TYR 25 HE2 TYR 25 0.999 -11.844 -5.131 117 HH TYR 25 HH TYR 25 -0.905 -14.722 -5.545 118 H ASN 26 H ASN 26 -2.848 -8.273 -5.731 119 HA ASN 26 HA ASN 26 -0.836 -6.704 -4.416 120 1HB ASN 26 2HB ASN 26 -3.295 -6.632 -3.868 121 2HB ASN 26 3HB ASN 26 -3.116 -8.226 -3.141 122 1HD2 ASN 26 1HD2 ASN 26 -1.099 -5.311 -3.077 123 2HD2 ASN 26 2HD2 ASN 26 -1.055 -5.173 -1.356 124 H THR 27 H THR 27 0.947 -7.420 -3.465 125 HA THR 27 HA THR 27 1.452 -10.257 -3.276 126 HB THR 27 HB THR 27 3.702 -9.704 -2.739 127 HG1 THR 27 HG1 THR 27 4.152 -7.989 -1.591 128 1HG2 THR 27 1HG2 THR 27 2.449 -8.729 -5.019 129 2HG2 THR 27 2HG2 THR 27 4.184 -8.948 -4.787 130 3HG2 THR 27 3HG2 THR 27 3.441 -7.383 -4.459 131 H GLU 28 H GLU 28 0.118 -7.916 -1.257 132 HA GLU 28 HA GLU 28 1.042 -9.091 1.228 133 1HB GLU 28 2HB GLU 28 0.757 -6.717 1.251 134 2HB GLU 28 3HB GLU 28 -0.872 -6.845 0.602 135 1HG GLU 28 2HG GLU 28 -1.637 -7.874 2.661 136 2HG GLU 28 3HG GLU 28 -0.001 -7.819 3.313 137 H THR 29 H THR 29 -1.907 -8.960 -0.703 138 HA THR 29 HA THR 29 -3.190 -10.839 1.156 139 HB THR 29 HB THR 29 -5.303 -10.278 0.041 140 HG1 THR 29 HG1 THR 29 -4.446 -9.759 -2.030 141 1HG2 THR 29 1HG2 THR 29 -3.714 -7.859 0.909 142 2HG2 THR 29 2HG2 THR 29 -4.637 -8.935 1.957 143 3HG2 THR 29 3HG2 THR 29 -5.471 -7.929 0.774 144 H LYS 30 H LYS 30 -1.536 -10.756 -1.752 145 HA LYS 30 HA LYS 30 -1.138 -12.300 -3.374 146 1HB LYS 30 2HB LYS 30 -2.730 -14.250 -1.712 147 2HB LYS 30 3HB LYS 30 -1.463 -14.612 -2.877 148 1HG LYS 30 2HG LYS 30 -0.103 -14.742 -1.123 149 2HG LYS 30 3HG LYS 30 -0.186 -12.979 -1.075 150 1HD LYS 30 2HD LYS 30 -1.569 -12.959 0.729 151 2HD LYS 30 3HD LYS 30 -2.372 -14.461 0.266 152 1HE LYS 30 2HE LYS 30 0.466 -14.393 1.256 153 2HE LYS 30 3HE LYS 30 -0.909 -14.515 2.353 154 1HZ LYS 30 1HZ LYS 30 -1.067 -16.669 1.929 155 2HZ LYS 30 2HZ LYS 30 0.350 -16.577 1.010 156 3HZ LYS 30 3HZ LYS 30 -1.157 -16.402 0.260 157 H GLN 31 H GLN 31 -3.481 -10.621 -3.514 158 HA GLN 31 HA GLN 31 -5.326 -12.355 -5.016 159 1HB GLN 31 2HB GLN 31 -5.797 -9.657 -3.739 160 2HB GLN 31 3HB GLN 31 -6.974 -10.503 -4.735 161 1HG GLN 31 2HG GLN 31 -5.934 -11.250 -2.027 162 2HG GLN 31 3HG GLN 31 -7.597 -10.951 -2.529 163 1HE2 GLN 31 1HE2 GLN 31 -5.922 -13.291 -1.370 164 2HE2 GLN 31 2HE2 GLN 31 -6.470 -14.644 -2.293 165 H SER 32 H SER 32 -6.472 -11.112 -6.838 166 HA SER 32 HA SER 32 -4.669 -9.245 -8.194 167 1HB SER 32 2HB SER 32 -4.273 -10.553 -10.017 168 2HB SER 32 3HB SER 32 -4.554 -11.861 -8.868 169 HG SER 32 HG SER 32 -5.979 -11.182 -11.049 170 H THR 33 H THR 33 -5.673 -7.805 -9.565 171 HA THR 33 HA THR 33 -8.546 -8.078 -10.026 172 HB THR 33 HB THR 33 -8.287 -6.780 -7.917 173 HG1 THR 33 HG1 THR 33 -10.075 -6.388 -9.306 174 1HG2 THR 33 1HG2 THR 33 -6.161 -5.683 -8.412 175 2HG2 THR 33 2HG2 THR 33 -7.407 -4.491 -8.043 176 3HG2 THR 33 3HG2 THR 33 -6.923 -4.773 -9.715 177 H TRP 34 H TRP 34 -9.337 -6.222 -11.456 178 HA TRP 34 HA TRP 34 -7.345 -5.827 -13.572 179 1HB TRP 34 2HB TRP 34 -10.340 -5.459 -13.755 180 2HB TRP 34 3HB TRP 34 -9.192 -5.537 -15.089 181 HD1 TRP 34 HD1 TRP 34 -11.512 -7.662 -13.162 182 HE1 TRP 34 HE1 TRP 34 -11.141 -10.147 -13.720 183 HE3 TRP 34 HE3 TRP 34 -7.049 -7.284 -15.628 184 HZ2 TRP 34 HZ2 TRP 34 -9.212 -11.737 -15.031 185 HZ3 TRP 34 HZ3 TRP 34 -6.007 -9.334 -16.502 186 HH2 TRP 34 HH2 TRP 34 -7.068 -11.514 -16.208 187 H GLU 35 H GLU 35 -9.117 -4.152 -11.176 188 HA GLU 35 HA GLU 35 -8.801 -1.567 -12.492 189 1HB GLU 35 2HB GLU 35 -10.041 -2.252 -9.821 190 2HB GLU 35 3HB GLU 35 -10.068 -0.672 -10.590 191 1HG GLU 35 2HG GLU 35 -11.348 -1.633 -12.461 192 2HG GLU 35 3HG GLU 35 -11.374 -3.181 -11.618 193 H LYS 36 H LYS 36 -7.807 0.228 -11.338 194 HA LYS 36 HA LYS 36 -5.257 -0.502 -10.277 195 1HB LYS 36 2HB LYS 36 -4.973 1.978 -10.003 196 2HB LYS 36 3HB LYS 36 -5.373 1.461 -11.636 197 1HG LYS 36 2HG LYS 36 -7.748 2.059 -10.100 198 2HG LYS 36 3HG LYS 36 -6.638 3.430 -10.156 199 1HD LYS 36 2HD LYS 36 -6.537 2.715 -12.725 200 2HD LYS 36 3HD LYS 36 -8.149 2.110 -12.340 201 1HE LYS 36 2HE LYS 36 -8.542 4.288 -13.063 202 2HE LYS 36 3HE LYS 36 -8.546 4.430 -11.305 203 1HZ LYS 36 1HZ LYS 36 -6.559 5.530 -11.296 204 2HZ LYS 36 2HZ LYS 36 -7.185 6.082 -12.767 205 3HZ LYS 36 3HZ LYS 36 -6.027 4.850 -12.750 206 HA PRO 37 HA PRO 37 -6.036 -0.517 -5.957 207 1HB PRO 37 2HB PRO 37 -3.719 0.519 -4.994 208 2HB PRO 37 3HB PRO 37 -3.832 -1.106 -5.680 209 1HG PRO 37 2HG PRO 37 -2.860 1.423 -6.952 210 2HG PRO 37 3HG PRO 37 -2.171 -0.208 -7.036 211 1HD PRO 37 2HD PRO 37 -3.681 0.841 -9.024 212 2HD PRO 37 3HD PRO 37 -3.670 -0.894 -8.647 213 H ASP 38 H ASP 38 -7.727 1.163 -6.234 214 HA ASP 38 HA ASP 38 -6.898 3.671 -4.936 215 1HB ASP 38 2HB ASP 38 -8.486 4.917 -6.286 216 2HB ASP 38 3HB ASP 38 -7.372 4.051 -7.340 217 H ASP 39 H ASP 39 -7.730 1.558 -3.445 218 HA ASP 39 HA ASP 39 -10.388 2.446 -2.552 219 1HB ASP 39 2HB ASP 39 -11.185 0.267 -2.273 220 2HB ASP 39 3HB ASP 39 -10.323 0.181 -3.806 Start of MODEL 14 1 1H GLY 10 H GLY 10 0.586 -0.484 -2.392 2 1HA GLY 10 2HA GLY 10 2.547 0.473 -1.106 3 2HA GLY 10 3HA GLY 10 1.863 -0.383 0.269 4 H SER 11 H SER 11 1.070 -2.597 -1.658 5 HA SER 11 HA SER 11 3.692 -3.714 -2.303 6 1HB SER 11 2HB SER 11 1.880 -5.606 -0.930 7 2HB SER 11 3HB SER 11 3.634 -5.449 -0.832 8 HG SER 11 HG SER 11 1.846 -3.594 0.344 9 H TRP 12 H TRP 12 1.298 -2.761 -3.779 10 HA TRP 12 HA TRP 12 0.258 -5.217 -4.964 11 1HB TRP 12 2HB TRP 12 -0.438 -2.312 -5.446 12 2HB TRP 12 3HB TRP 12 -1.213 -3.672 -6.254 13 HD1 TRP 12 HD1 TRP 12 -0.675 -2.431 -2.610 14 HE1 TRP 12 HE1 TRP 12 -2.780 -3.032 -1.256 15 HE3 TRP 12 HE3 TRP 12 -3.289 -4.918 -6.233 16 HZ2 TRP 12 HZ2 TRP 12 -5.224 -4.381 -1.669 17 HZ3 TRP 12 HZ3 TRP 12 -5.502 -5.834 -5.671 18 HH2 TRP 12 HH2 TRP 12 -6.448 -5.570 -3.436 19 H THR 13 H THR 13 1.233 -6.117 -6.642 20 HA THR 13 HA THR 13 3.121 -4.548 -8.225 21 HB THR 13 HB THR 13 3.911 -6.667 -9.117 22 HG1 THR 13 HG1 THR 13 2.547 -8.274 -9.160 23 1HG2 THR 13 1HG2 THR 13 4.510 -7.804 -6.909 24 2HG2 THR 13 2HG2 THR 13 3.563 -6.535 -6.132 25 3HG2 THR 13 3HG2 THR 13 4.981 -6.115 -7.093 26 H GLU 14 H GLU 14 2.905 -4.144 -10.378 27 HA GLU 14 HA GLU 14 0.268 -4.664 -11.528 28 1HB GLU 14 2HB GLU 14 1.718 -2.382 -11.464 29 2HB GLU 14 3HB GLU 14 2.228 -3.025 -13.018 30 1HG GLU 14 2HG GLU 14 -0.445 -3.345 -13.206 31 2HG GLU 14 3HG GLU 14 -0.357 -1.909 -12.187 32 H HIS 15 H HIS 15 0.119 -6.521 -12.606 33 HA HIS 15 HA HIS 15 2.225 -7.158 -14.558 34 1HB HIS 15 2HB HIS 15 1.313 -8.757 -12.303 35 2HB HIS 15 3HB HIS 15 1.153 -9.618 -13.831 36 HD1 HIS 15 HD1 HIS 15 3.198 -10.768 -14.623 37 HD2 HIS 15 HD2 HIS 15 4.072 -7.726 -11.931 38 HE1 HIS 15 HE1 HIS 15 5.678 -10.910 -14.229 39 H LYS 16 H LYS 16 1.493 -7.456 -16.559 40 HA LYS 16 HA LYS 16 -1.402 -7.634 -16.967 41 1HB LYS 16 2HB LYS 16 -0.797 -7.077 -19.357 42 2HB LYS 16 3HB LYS 16 -0.439 -5.827 -18.172 43 1HG LYS 16 2HG LYS 16 1.895 -6.416 -18.185 44 2HG LYS 16 3HG LYS 16 1.578 -7.784 -19.255 45 1HD LYS 16 2HD LYS 16 0.850 -4.984 -20.052 46 2HD LYS 16 3HD LYS 16 2.486 -5.604 -20.286 47 1HE LYS 16 2HE LYS 16 1.430 -7.550 -21.508 48 2HE LYS 16 3HE LYS 16 -0.080 -6.641 -21.470 49 1HZ LYS 16 1HZ LYS 16 1.419 -6.434 -23.517 50 2HZ LYS 16 2HZ LYS 16 2.381 -5.429 -22.555 51 3HZ LYS 16 3HZ LYS 16 0.769 -5.016 -22.862 52 H SER 17 H SER 17 -2.373 -9.304 -18.016 53 HA SER 17 HA SER 17 -1.119 -11.821 -18.026 54 1HB SER 17 2HB SER 17 -3.293 -12.373 -18.059 55 2HB SER 17 3HB SER 17 -3.745 -10.755 -18.597 56 HG SER 17 HG SER 17 -4.047 -12.832 -19.996 57 HA PRO 18 HA PRO 18 0.843 -12.191 -21.930 58 1HB PRO 18 2HB PRO 18 0.159 -14.696 -22.723 59 2HB PRO 18 3HB PRO 18 1.293 -14.382 -21.404 60 1HG PRO 18 2HG PRO 18 -1.614 -15.085 -21.276 61 2HG PRO 18 3HG PRO 18 -0.271 -15.693 -20.290 62 1HD PRO 18 2HD PRO 18 -1.973 -13.779 -19.412 63 2HD PRO 18 3HD PRO 18 -0.267 -13.836 -18.925 64 H ASP 19 H ASP 19 -2.486 -12.030 -21.710 65 HA ASP 19 HA ASP 19 -2.876 -12.204 -24.616 66 1HB ASP 19 2HB ASP 19 -4.393 -13.506 -23.085 67 2HB ASP 19 3HB ASP 19 -5.002 -11.967 -22.481 68 H GLY 20 H GLY 20 -2.185 -9.960 -22.289 69 1HA GLY 20 2HA GLY 20 -1.904 -7.659 -22.778 70 2HA GLY 20 3HA GLY 20 -3.145 -7.797 -24.015 71 H ARG 21 H ARG 21 -3.032 -8.535 -20.528 72 HA ARG 21 HA ARG 21 -5.227 -6.630 -20.123 73 1HB ARG 21 2HB ARG 21 -6.049 -9.033 -20.353 74 2HB ARG 21 3HB ARG 21 -5.219 -9.355 -18.836 75 1HG ARG 21 2HG ARG 21 -7.500 -8.958 -18.329 76 2HG ARG 21 3HG ARG 21 -6.593 -7.540 -17.799 77 1HD ARG 21 2HD ARG 21 -8.639 -6.871 -18.924 78 2HD ARG 21 3HD ARG 21 -7.229 -6.374 -19.859 79 HE ARG 21 HE ARG 21 -7.919 -8.793 -20.910 80 1HH1 ARG 21 2HH1 ARG 21 -9.583 -5.782 -20.377 81 2HH1 ARG 21 1HH1 ARG 21 -10.643 -5.977 -21.734 82 1HH2 ARG 21 2HH2 ARG 21 -9.308 -9.062 -22.699 83 2HH2 ARG 21 1HH2 ARG 21 -10.486 -7.844 -23.053 84 H THR 22 H THR 22 -4.081 -5.159 -18.974 85 HA THR 22 HA THR 22 -2.108 -5.799 -17.047 86 HB THR 22 HB THR 22 -3.664 -3.219 -17.096 87 HG1 THR 22 HG1 THR 22 -1.787 -2.659 -18.585 88 1HG2 THR 22 1HG2 THR 22 -1.105 -2.540 -16.672 89 2HG2 THR 22 2HG2 THR 22 -1.088 -4.164 -15.983 90 3HG2 THR 22 3HG2 THR 22 -2.215 -2.956 -15.366 91 H TYR 23 H TYR 23 -2.543 -6.876 -15.234 92 HA TYR 23 HA TYR 23 -4.915 -6.073 -13.679 93 1HB TYR 23 2HB TYR 23 -5.068 -8.374 -12.852 94 2HB TYR 23 3HB TYR 23 -5.186 -8.331 -14.608 95 HD1 TYR 23 HD1 TYR 23 -3.676 -9.544 -15.949 96 HD2 TYR 23 HD2 TYR 23 -2.869 -9.047 -11.801 97 HE1 TYR 23 HE1 TYR 23 -1.844 -11.177 -16.116 98 HE2 TYR 23 HE2 TYR 23 -1.035 -10.678 -11.957 99 HH TYR 23 HH TYR 23 -0.307 -12.339 -15.009 100 H TYR 24 H TYR 24 -4.709 -6.029 -11.416 101 HA TYR 24 HA TYR 24 -1.946 -5.671 -10.505 102 1HB TYR 24 2HB TYR 24 -4.519 -4.817 -9.163 103 2HB TYR 24 3HB TYR 24 -2.888 -4.383 -8.665 104 HD1 TYR 24 HD1 TYR 24 -5.385 -3.961 -11.371 105 HD2 TYR 24 HD2 TYR 24 -1.779 -2.532 -9.623 106 HE1 TYR 24 HE1 TYR 24 -5.483 -1.969 -12.811 107 HE2 TYR 24 HE2 TYR 24 -1.868 -0.536 -11.057 108 HH TYR 24 HH TYR 24 -4.372 -0.158 -13.527 109 H TYR 25 H TYR 25 -1.157 -6.662 -8.652 110 HA TYR 25 HA TYR 25 -2.838 -8.714 -7.402 111 1HB TYR 25 2HB TYR 25 -1.575 -9.898 -9.100 112 2HB TYR 25 3HB TYR 25 -0.073 -9.174 -8.538 113 HD1 TYR 25 HD1 TYR 25 0.904 -9.872 -6.375 114 HD2 TYR 25 HD2 TYR 25 -2.529 -11.793 -7.994 115 HE1 TYR 25 HE1 TYR 25 1.247 -11.764 -4.842 116 HE2 TYR 25 HE2 TYR 25 -2.196 -13.690 -6.465 117 HH TYR 25 HH TYR 25 0.442 -14.459 -5.037 118 H ASN 26 H ASN 26 -2.814 -8.439 -5.281 119 HA ASN 26 HA ASN 26 -0.781 -6.814 -4.026 120 1HB ASN 26 2HB ASN 26 -3.205 -6.644 -3.434 121 2HB ASN 26 3HB ASN 26 -3.106 -8.259 -2.739 122 1HD2 ASN 26 1HD2 ASN 26 -0.923 -5.469 -2.623 123 2HD2 ASN 26 2HD2 ASN 26 -0.878 -5.359 -0.899 124 H THR 27 H THR 27 1.000 -7.555 -3.090 125 HA THR 27 HA THR 27 1.463 -10.392 -2.876 126 HB THR 27 HB THR 27 3.716 -9.869 -2.344 127 HG1 THR 27 HG1 THR 27 3.222 -7.112 -2.102 128 1HG2 THR 27 1HG2 THR 27 4.293 -8.958 -4.326 129 2HG2 THR 27 2HG2 THR 27 3.324 -7.509 -4.056 130 3HG2 THR 27 3HG2 THR 27 2.558 -8.987 -4.639 131 H GLU 28 H GLU 28 0.118 -8.056 -0.872 132 HA GLU 28 HA GLU 28 1.028 -9.228 1.622 133 1HB GLU 28 2HB GLU 28 0.400 -6.710 1.062 134 2HB GLU 28 3HB GLU 28 -1.207 -7.259 1.518 135 1HG GLU 28 2HG GLU 28 -0.206 -8.090 3.663 136 2HG GLU 28 3HG GLU 28 1.279 -7.259 3.203 137 H THR 29 H THR 29 -1.899 -9.096 -0.338 138 HA THR 29 HA THR 29 -3.194 -10.984 1.509 139 HB THR 29 HB THR 29 -5.311 -10.384 0.434 140 HG1 THR 29 HG1 THR 29 -4.501 -9.847 -1.642 141 1HG2 THR 29 1HG2 THR 29 -4.555 -9.067 2.360 142 2HG2 THR 29 2HG2 THR 29 -5.476 -8.074 1.229 143 3HG2 THR 29 3HG2 THR 29 -3.717 -7.959 1.274 144 H LYS 30 H LYS 30 -1.443 -10.966 -1.282 145 HA LYS 30 HA LYS 30 -1.119 -12.431 -2.992 146 1HB LYS 30 2HB LYS 30 -2.575 -14.304 -1.117 147 2HB LYS 30 3HB LYS 30 -1.656 -14.802 -2.531 148 1HG LYS 30 2HG LYS 30 -0.388 -13.218 -0.326 149 2HG LYS 30 3HG LYS 30 -0.537 -14.975 -0.239 150 1HD LYS 30 2HD LYS 30 0.586 -15.023 -2.524 151 2HD LYS 30 3HD LYS 30 0.981 -13.325 -2.245 152 1HE LYS 30 2HE LYS 30 1.778 -15.656 -0.504 153 2HE LYS 30 3HE LYS 30 2.835 -14.765 -1.597 154 1HZ LYS 30 1HZ LYS 30 1.419 -13.537 0.704 155 2HZ LYS 30 2HZ LYS 30 2.600 -12.816 -0.269 156 3HZ LYS 30 3HZ LYS 30 3.017 -14.089 0.764 157 H GLN 31 H GLN 31 -3.452 -10.767 -3.115 158 HA GLN 31 HA GLN 31 -5.329 -12.507 -4.568 159 1HB GLN 31 2HB GLN 31 -5.761 -9.800 -3.298 160 2HB GLN 31 3HB GLN 31 -6.957 -10.630 -4.284 161 1HG GLN 31 2HG GLN 31 -6.481 -12.567 -2.528 162 2HG GLN 31 3HG GLN 31 -6.054 -11.183 -1.523 163 1HE2 GLN 31 1HE2 GLN 31 -8.605 -12.720 -3.348 164 2HE2 GLN 31 2HE2 GLN 31 -9.916 -11.893 -2.585 165 H SER 32 H SER 32 -6.443 -11.392 -6.433 166 HA SER 32 HA SER 32 -4.719 -9.467 -7.809 167 1HB SER 32 2HB SER 32 -4.232 -10.795 -9.594 168 2HB SER 32 3HB SER 32 -4.461 -12.088 -8.417 169 HG SER 32 HG SER 32 -6.159 -12.709 -9.477 170 H THR 33 H THR 33 -5.787 -8.041 -9.101 171 HA THR 33 HA THR 33 -8.631 -8.493 -9.642 172 HB THR 33 HB THR 33 -8.482 -7.157 -7.553 173 HG1 THR 33 HG1 THR 33 -9.856 -5.440 -8.379 174 1HG2 THR 33 1HG2 THR 33 -7.710 -4.812 -7.720 175 2HG2 THR 33 2HG2 THR 33 -7.114 -5.148 -9.346 176 3HG2 THR 33 3HG2 THR 33 -6.405 -5.974 -7.959 177 H TRP 34 H TRP 34 -9.490 -6.656 -11.085 178 HA TRP 34 HA TRP 34 -7.515 -6.240 -13.212 179 1HB TRP 34 2HB TRP 34 -10.524 -5.952 -13.345 180 2HB TRP 34 3HB TRP 34 -9.404 -5.936 -14.704 181 HD1 TRP 34 HD1 TRP 34 -11.549 -8.230 -12.743 182 HE1 TRP 34 HE1 TRP 34 -11.097 -10.674 -13.411 183 HE3 TRP 34 HE3 TRP 34 -7.248 -7.556 -15.423 184 HZ2 TRP 34 HZ2 TRP 34 -9.171 -12.125 -14.879 185 HZ3 TRP 34 HZ3 TRP 34 -6.164 -9.523 -16.427 186 HH2 TRP 34 HH2 TRP 34 -7.106 -11.760 -16.159 187 H GLU 35 H GLU 35 -9.291 -4.567 -10.816 188 HA GLU 35 HA GLU 35 -8.979 -1.987 -12.153 189 1HB GLU 35 2HB GLU 35 -10.302 -2.698 -9.529 190 2HB GLU 35 3HB GLU 35 -10.273 -1.093 -10.246 191 1HG GLU 35 2HG GLU 35 -11.453 -2.067 -12.233 192 2HG GLU 35 3HG GLU 35 -11.648 -3.549 -11.298 193 H LYS 36 H LYS 36 -7.977 -0.194 -11.047 194 HA LYS 36 HA LYS 36 -5.450 -0.867 -9.952 195 1HB LYS 36 2HB LYS 36 -5.207 1.588 -9.618 196 2HB LYS 36 3HB LYS 36 -5.689 1.148 -11.251 197 1HG LYS 36 2HG LYS 36 -8.107 1.532 -10.110 198 2HG LYS 36 3HG LYS 36 -7.126 2.685 -9.203 199 1HD LYS 36 2HD LYS 36 -7.780 3.975 -10.992 200 2HD LYS 36 3HD LYS 36 -6.242 3.340 -11.581 201 1HE LYS 36 2HE LYS 36 -7.371 1.649 -12.863 202 2HE LYS 36 3HE LYS 36 -8.927 2.098 -12.165 203 1HZ LYS 36 1HZ LYS 36 -7.895 4.409 -13.258 204 2HZ LYS 36 2HZ LYS 36 -9.169 3.477 -13.865 205 3HZ LYS 36 3HZ LYS 36 -7.590 3.205 -14.407 206 HA PRO 37 HA PRO 37 -6.225 -1.085 -5.637 207 1HB PRO 37 2HB PRO 37 -3.932 -0.033 -4.634 208 2HB PRO 37 3HB PRO 37 -4.008 -1.631 -5.386 209 1HG PRO 37 2HG PRO 37 -3.099 0.971 -6.555 210 2HG PRO 37 3HG PRO 37 -2.371 -0.639 -6.707 211 1HD PRO 37 2HD PRO 37 -3.910 0.453 -8.649 212 2HD PRO 37 3HD PRO 37 -3.857 -1.295 -8.342 213 H ASP 38 H ASP 38 -5.592 1.959 -7.145 214 HA ASP 38 HA ASP 38 -6.011 3.594 -4.836 215 1HB ASP 38 2HB ASP 38 -6.399 4.502 -7.681 216 2HB ASP 38 3HB ASP 38 -5.857 5.442 -6.293 217 H ASP 39 H ASP 39 -8.050 2.217 -7.317 218 HA ASP 39 HA ASP 39 -10.347 3.812 -6.747 219 1HB ASP 39 2HB ASP 39 -10.066 2.714 -8.918 220 2HB ASP 39 3HB ASP 39 -10.122 1.135 -8.140 Start of MODEL 15 1 1H GLY 10 H GLY 10 2.938 0.532 -2.921 2 1HA GLY 10 2HA GLY 10 2.358 -0.079 -0.123 3 2HA GLY 10 3HA GLY 10 1.097 -0.439 -1.294 4 H SER 11 H SER 11 1.052 -2.493 -1.879 5 HA SER 11 HA SER 11 3.579 -3.890 -2.370 6 1HB SER 11 2HB SER 11 1.449 -5.470 -1.025 7 2HB SER 11 3HB SER 11 3.203 -5.605 -0.899 8 HG SER 11 HG SER 11 2.361 -4.787 1.023 9 H TRP 12 H TRP 12 1.363 -2.744 -4.008 10 HA TRP 12 HA TRP 12 0.206 -5.142 -5.214 11 1HB TRP 12 2HB TRP 12 -0.302 -2.207 -5.747 12 2HB TRP 12 3HB TRP 12 -1.132 -3.534 -6.556 13 HD1 TRP 12 HD1 TRP 12 -0.617 -2.298 -2.905 14 HE1 TRP 12 HE1 TRP 12 -2.801 -2.734 -1.614 15 HE3 TRP 12 HE3 TRP 12 -3.299 -4.602 -6.598 16 HZ2 TRP 12 HZ2 TRP 12 -5.325 -3.900 -2.096 17 HZ3 TRP 12 HZ3 TRP 12 -5.590 -5.348 -6.101 18 HH2 TRP 12 HH2 TRP 12 -6.581 -5.004 -3.896 19 H THR 13 H THR 13 1.240 -6.110 -6.817 20 HA THR 13 HA THR 13 3.247 -4.636 -8.344 21 HB THR 13 HB THR 13 3.969 -6.815 -9.188 22 HG1 THR 13 HG1 THR 13 2.347 -8.205 -9.264 23 1HG2 THR 13 1HG2 THR 13 4.192 -7.881 -6.709 24 2HG2 THR 13 2HG2 THR 13 3.782 -6.213 -6.309 25 3HG2 THR 13 3HG2 THR 13 5.195 -6.559 -7.307 26 H GLU 14 H GLU 14 3.148 -4.286 -10.519 27 HA GLU 14 HA GLU 14 0.538 -4.693 -11.764 28 1HB GLU 14 2HB GLU 14 2.104 -2.503 -11.717 29 2HB GLU 14 3HB GLU 14 2.679 -3.238 -13.207 30 1HG GLU 14 2HG GLU 14 0.145 -3.413 -13.775 31 2HG GLU 14 3HG GLU 14 -0.019 -2.158 -12.548 32 H HIS 15 H HIS 15 0.303 -6.571 -12.787 33 HA HIS 15 HA HIS 15 2.436 -7.420 -14.626 34 1HB HIS 15 2HB HIS 15 1.358 -8.862 -12.346 35 2HB HIS 15 3HB HIS 15 1.157 -9.771 -13.842 36 HD1 HIS 15 HD1 HIS 15 3.337 -9.827 -11.224 37 HD2 HIS 15 HD2 HIS 15 3.963 -9.318 -15.299 38 HE1 HIS 15 HE1 HIS 15 5.736 -10.468 -11.621 39 H LYS 16 H LYS 16 1.760 -7.735 -16.643 40 HA LYS 16 HA LYS 16 -1.123 -7.749 -17.158 41 1HB LYS 16 2HB LYS 16 -0.397 -7.311 -19.539 42 2HB LYS 16 3HB LYS 16 -0.003 -6.046 -18.382 43 1HG LYS 16 2HG LYS 16 2.286 -6.748 -18.299 44 2HG LYS 16 3HG LYS 16 1.932 -8.165 -19.290 45 1HD LYS 16 2HD LYS 16 1.350 -5.412 -20.314 46 2HD LYS 16 3HD LYS 16 2.986 -6.070 -20.399 47 1HE LYS 16 2HE LYS 16 2.364 -7.761 -21.861 48 2HE LYS 16 3HE LYS 16 0.663 -7.663 -21.409 49 1HZ LYS 16 1HZ LYS 16 0.331 -6.316 -23.114 50 2HZ LYS 16 2HZ LYS 16 1.968 -6.392 -23.535 51 3HZ LYS 16 3HZ LYS 16 1.423 -5.193 -22.473 52 H SER 17 H SER 17 -2.157 -9.389 -18.194 53 HA SER 17 HA SER 17 -1.065 -11.978 -18.073 54 1HB SER 17 2HB SER 17 -3.210 -12.564 -18.362 55 2HB SER 17 3HB SER 17 -3.598 -10.852 -18.533 56 HG SER 17 HG SER 17 -3.669 -12.786 -20.388 57 HA PRO 18 HA PRO 18 1.014 -12.602 -21.884 58 1HB PRO 18 2HB PRO 18 0.202 -15.085 -22.624 59 2HB PRO 18 3HB PRO 18 1.303 -14.797 -21.272 60 1HG PRO 18 2HG PRO 18 -1.645 -15.313 -21.236 61 2HG PRO 18 3HG PRO 18 -0.381 -15.971 -20.180 62 1HD PRO 18 2HD PRO 18 -1.990 -13.926 -19.429 63 2HD PRO 18 3HD PRO 18 -0.310 -14.072 -18.875 64 H ASP 19 H ASP 19 -2.305 -12.227 -21.801 65 HA ASP 19 HA ASP 19 -2.599 -12.478 -24.712 66 1HB ASP 19 2HB ASP 19 -4.253 -13.621 -23.194 67 2HB ASP 19 3HB ASP 19 -4.781 -12.024 -22.671 68 H GLY 20 H GLY 20 -1.845 -10.200 -22.438 69 1HA GLY 20 2HA GLY 20 -1.395 -7.942 -22.991 70 2HA GLY 20 3HA GLY 20 -2.594 -8.044 -24.272 71 H ARG 21 H ARG 21 -2.666 -8.660 -20.761 72 HA ARG 21 HA ARG 21 -4.739 -6.599 -20.510 73 1HB ARG 21 2HB ARG 21 -5.716 -8.948 -20.703 74 2HB ARG 21 3HB ARG 21 -4.977 -9.273 -19.141 75 1HG ARG 21 2HG ARG 21 -6.359 -7.742 -18.038 76 2HG ARG 21 3HG ARG 21 -6.838 -6.960 -19.545 77 1HD ARG 21 2HD ARG 21 -8.045 -8.978 -20.211 78 2HD ARG 21 3HD ARG 21 -7.553 -9.770 -18.715 79 HE ARG 21 HE ARG 21 -8.885 -7.369 -18.106 80 1HH1 ARG 21 2HH1 ARG 21 -9.509 -10.557 -19.359 81 2HH1 ARG 21 1HH1 ARG 21 -11.145 -10.602 -18.790 82 1HH2 ARG 21 2HH2 ARG 21 -11.038 -7.417 -17.353 83 2HH2 ARG 21 1HH2 ARG 21 -12.014 -8.815 -17.650 84 H THR 22 H THR 22 -3.564 -5.171 -19.344 85 HA THR 22 HA THR 22 -1.709 -5.878 -17.323 86 HB THR 22 HB THR 22 -3.094 -3.207 -17.489 87 HG1 THR 22 HG1 THR 22 -1.452 -2.672 -19.037 88 1HG2 THR 22 1HG2 THR 22 -1.670 -3.210 -15.647 89 2HG2 THR 22 2HG2 THR 22 -0.656 -2.532 -16.921 90 3HG2 THR 22 3HG2 THR 22 -0.471 -4.222 -16.452 91 H TYR 23 H TYR 23 -2.270 -6.856 -15.491 92 HA TYR 23 HA TYR 23 -4.652 -5.871 -14.062 93 1HB TYR 23 2HB TYR 23 -4.980 -8.132 -13.179 94 2HB TYR 23 3HB TYR 23 -5.022 -8.137 -14.938 95 HD1 TYR 23 HD1 TYR 23 -2.864 -8.894 -12.017 96 HD2 TYR 23 HD2 TYR 23 -3.540 -9.485 -16.176 97 HE1 TYR 23 HE1 TYR 23 -1.129 -10.637 -12.046 98 HE2 TYR 23 HE2 TYR 23 -1.808 -11.230 -16.216 99 HH TYR 23 HH TYR 23 -0.532 -12.588 -14.909 100 H TYR 24 H TYR 24 -4.540 -5.814 -11.782 101 HA TYR 24 HA TYR 24 -1.795 -5.585 -10.771 102 1HB TYR 24 2HB TYR 24 -4.353 -4.530 -9.550 103 2HB TYR 24 3HB TYR 24 -2.713 -4.174 -9.020 104 HD1 TYR 24 HD1 TYR 24 -1.472 -2.426 -10.007 105 HD2 TYR 24 HD2 TYR 24 -5.109 -3.703 -11.808 106 HE1 TYR 24 HE1 TYR 24 -1.403 -0.481 -11.511 107 HE2 TYR 24 HE2 TYR 24 -5.050 -1.762 -13.317 108 HH TYR 24 HH TYR 24 -3.163 0.890 -12.827 109 H TYR 25 H TYR 25 -1.088 -6.692 -8.998 110 HA TYR 25 HA TYR 25 -2.969 -8.559 -7.723 111 1HB TYR 25 2HB TYR 25 -1.704 -9.852 -9.338 112 2HB TYR 25 3HB TYR 25 -0.188 -9.202 -8.724 113 HD1 TYR 25 HD1 TYR 25 0.645 -9.898 -6.498 114 HD2 TYR 25 HD2 TYR 25 -2.806 -11.670 -8.246 115 HE1 TYR 25 HE1 TYR 25 0.811 -11.771 -4.913 116 HE2 TYR 25 HE2 TYR 25 -2.649 -13.548 -6.665 117 HH TYR 25 HH TYR 25 0.025 -14.265 -4.922 118 H ASN 26 H ASN 26 -3.046 -8.167 -5.622 119 HA ASN 26 HA ASN 26 -0.996 -6.640 -4.302 120 1HB ASN 26 2HB ASN 26 -3.427 -6.378 -3.800 121 2HB ASN 26 3HB ASN 26 -3.420 -7.994 -3.099 122 1HD2 ASN 26 1HD2 ASN 26 -1.126 -5.301 -2.894 123 2HD2 ASN 26 2HD2 ASN 26 -1.154 -5.185 -1.170 124 H THR 27 H THR 27 0.728 -7.423 -3.297 125 HA THR 27 HA THR 27 1.074 -10.274 -3.007 126 HB THR 27 HB THR 27 3.337 -9.827 -2.443 127 HG1 THR 27 HG1 THR 27 2.948 -7.045 -2.305 128 1HG2 THR 27 1HG2 THR 27 2.262 -8.983 -4.790 129 2HG2 THR 27 2HG2 THR 27 3.991 -9.008 -4.441 130 3HG2 THR 27 3HG2 THR 27 3.072 -7.516 -4.243 131 H GLU 28 H GLU 28 -0.138 -7.775 -1.082 132 HA GLU 28 HA GLU 28 0.669 -8.885 1.459 133 1HB GLU 28 2HB GLU 28 0.404 -6.502 1.347 134 2HB GLU 28 3HB GLU 28 -1.227 -6.659 0.710 135 1HG GLU 28 2HG GLU 28 -2.030 -7.509 2.799 136 2HG GLU 28 3HG GLU 28 -0.393 -7.580 3.449 137 H THR 29 H THR 29 -2.240 -8.796 -0.536 138 HA THR 29 HA THR 29 -3.556 -10.628 1.353 139 HB THR 29 HB THR 29 -5.665 -9.991 0.409 140 HG1 THR 29 HG1 THR 29 -5.779 -8.589 -1.380 141 1HG2 THR 29 1HG2 THR 29 -4.813 -7.261 0.404 142 2HG2 THR 29 2HG2 THR 29 -3.912 -8.144 1.636 143 3HG2 THR 29 3HG2 THR 29 -5.675 -8.149 1.660 144 H LYS 30 H LYS 30 -1.834 -10.652 -1.473 145 HA LYS 30 HA LYS 30 -1.499 -12.178 -3.126 146 1HB LYS 30 2HB LYS 30 -3.022 -13.975 -1.230 147 2HB LYS 30 3HB LYS 30 -2.117 -14.528 -2.633 148 1HG LYS 30 2HG LYS 30 -0.732 -12.899 -0.558 149 2HG LYS 30 3HG LYS 30 -1.058 -14.607 -0.251 150 1HD LYS 30 2HD LYS 30 0.045 -15.092 -2.468 151 2HD LYS 30 3HD LYS 30 0.562 -13.404 -2.488 152 1HE LYS 30 2HE LYS 30 2.013 -13.690 -0.721 153 2HE LYS 30 3HE LYS 30 1.129 -15.075 -0.082 154 1HZ LYS 30 1HZ LYS 30 3.408 -15.313 -1.389 155 2HZ LYS 30 2HZ LYS 30 2.352 -15.398 -2.707 156 3HZ LYS 30 3HZ LYS 30 2.208 -16.505 -1.435 157 H GLN 31 H GLN 31 -3.701 -10.448 -3.428 158 HA GLN 31 HA GLN 31 -5.628 -12.170 -4.844 159 1HB GLN 31 2HB GLN 31 -6.030 -9.416 -3.663 160 2HB GLN 31 3HB GLN 31 -7.230 -10.283 -4.613 161 1HG GLN 31 2HG GLN 31 -6.754 -12.139 -2.763 162 2HG GLN 31 3HG GLN 31 -6.346 -10.703 -1.825 163 1HE2 GLN 31 1HE2 GLN 31 -8.303 -11.859 -0.730 164 2HE2 GLN 31 2HE2 GLN 31 -9.846 -11.194 -1.132 165 H SER 32 H SER 32 -6.711 -10.977 -6.719 166 HA SER 32 HA SER 32 -4.851 -9.190 -8.110 167 1HB SER 32 2HB SER 32 -4.539 -10.540 -9.936 168 2HB SER 32 3HB SER 32 -4.747 -11.795 -8.714 169 HG SER 32 HG SER 32 -6.418 -11.034 -10.784 170 H THR 33 H THR 33 -5.804 -7.911 -9.747 171 HA THR 33 HA THR 33 -8.668 -8.070 -10.174 172 HB THR 33 HB THR 33 -8.437 -6.743 -8.073 173 HG1 THR 33 HG1 THR 33 -10.180 -6.373 -9.556 174 1HG2 THR 33 1HG2 THR 33 -6.301 -5.666 -8.519 175 2HG2 THR 33 2HG2 THR 33 -7.548 -4.449 -8.245 176 3HG2 THR 33 3HG2 THR 33 -7.001 -4.798 -9.884 177 H TRP 34 H TRP 34 -9.394 -6.255 -11.669 178 HA TRP 34 HA TRP 34 -7.334 -5.912 -13.726 179 1HB TRP 34 2HB TRP 34 -10.320 -5.516 -13.988 180 2HB TRP 34 3HB TRP 34 -9.143 -5.598 -15.295 181 HD1 TRP 34 HD1 TRP 34 -11.501 -7.717 -13.400 182 HE1 TRP 34 HE1 TRP 34 -11.130 -10.203 -13.956 183 HE3 TRP 34 HE3 TRP 34 -7.009 -7.348 -15.813 184 HZ2 TRP 34 HZ2 TRP 34 -9.190 -11.796 -15.246 185 HZ3 TRP 34 HZ3 TRP 34 -5.963 -9.400 -16.677 186 HH2 TRP 34 HH2 TRP 34 -7.032 -11.578 -16.398 187 H GLU 35 H GLU 35 -9.085 -4.175 -11.379 188 HA GLU 35 HA GLU 35 -8.660 -1.614 -12.734 189 1HB GLU 35 2HB GLU 35 -10.069 -0.648 -11.006 190 2HB GLU 35 3HB GLU 35 -10.871 -2.035 -11.729 191 1HG GLU 35 2HG GLU 35 -10.388 -3.399 -9.839 192 2HG GLU 35 3HG GLU 35 -9.334 -2.165 -9.150 193 H LYS 36 H LYS 36 -7.503 0.084 -11.764 194 HA LYS 36 HA LYS 36 -5.118 -0.653 -10.478 195 1HB LYS 36 2HB LYS 36 -4.776 1.795 -10.181 196 2HB LYS 36 3HB LYS 36 -5.204 1.342 -11.826 197 1HG LYS 36 2HG LYS 36 -7.638 1.879 -10.989 198 2HG LYS 36 3HG LYS 36 -6.769 2.857 -9.804 199 1HD LYS 36 2HD LYS 36 -5.538 3.904 -11.736 200 2HD LYS 36 3HD LYS 36 -6.667 3.073 -12.809 201 1HE LYS 36 2HE LYS 36 -7.544 5.240 -12.517 202 2HE LYS 36 3HE LYS 36 -8.521 4.190 -11.492 203 1HZ LYS 36 1HZ LYS 36 -6.233 5.286 -10.145 204 2HZ LYS 36 2HZ LYS 36 -7.855 5.252 -9.666 205 3HZ LYS 36 3HZ LYS 36 -7.303 6.475 -10.696 206 HA PRO 37 HA PRO 37 -6.094 -0.741 -6.199 207 1HB PRO 37 2HB PRO 37 -3.801 0.226 -5.114 208 2HB PRO 37 3HB PRO 37 -3.917 -1.382 -5.837 209 1HG PRO 37 2HG PRO 37 -2.837 1.149 -7.014 210 2HG PRO 37 3HG PRO 37 -2.179 -0.495 -7.101 211 1HD PRO 37 2HD PRO 37 -3.577 0.624 -9.132 212 2HD PRO 37 3HD PRO 37 -3.620 -1.117 -8.789 213 H ASP 38 H ASP 38 -7.738 0.975 -6.504 214 HA ASP 38 HA ASP 38 -6.867 3.608 -5.536 215 1HB ASP 38 2HB ASP 38 -8.978 4.465 -6.401 216 2HB ASP 38 3HB ASP 38 -8.129 3.573 -7.660 217 H ASP 39 H ASP 39 -8.966 0.900 -4.833 218 HA ASP 39 HA ASP 39 -10.357 2.156 -2.678 219 1HB ASP 39 2HB ASP 39 -11.247 -0.048 -2.205 220 2HB ASP 39 3HB ASP 39 -11.264 0.221 -3.946 Start of MODEL 16 1 1H GLY 10 H GLY 10 3.174 0.728 0.030 2 1HA GLY 10 2HA GLY 10 1.705 -0.278 -1.419 3 2HA GLY 10 3HA GLY 10 2.783 0.228 -2.712 4 H SER 11 H SER 11 1.249 -2.348 -1.847 5 HA SER 11 HA SER 11 3.514 -4.174 -2.324 6 1HB SER 11 2HB SER 11 1.867 -5.883 -1.204 7 2HB SER 11 3HB SER 11 2.830 -4.803 -0.196 8 HG SER 11 HG SER 11 1.053 -3.937 0.493 9 H TRP 12 H TRP 12 1.125 -2.752 -3.885 10 HA TRP 12 HA TRP 12 0.008 -5.093 -5.211 11 1HB TRP 12 2HB TRP 12 -0.521 -2.137 -5.574 12 2HB TRP 12 3HB TRP 12 -1.342 -3.413 -6.469 13 HD1 TRP 12 HD1 TRP 12 -0.906 -2.248 -2.797 14 HE1 TRP 12 HE1 TRP 12 -3.053 -2.853 -1.514 15 HE3 TRP 12 HE3 TRP 12 -3.396 -4.731 -6.507 16 HZ2 TRP 12 HZ2 TRP 12 -5.482 -4.204 -2.009 17 HZ3 TRP 12 HZ3 TRP 12 -5.626 -5.649 -6.021 18 HH2 TRP 12 HH2 TRP 12 -6.646 -5.391 -3.817 19 H THR 13 H THR 13 1.117 -6.004 -6.802 20 HA THR 13 HA THR 13 3.016 -4.416 -8.351 21 HB THR 13 HB THR 13 3.845 -6.539 -9.219 22 HG1 THR 13 HG1 THR 13 2.832 -8.431 -8.812 23 1HG2 THR 13 1HG2 THR 13 4.488 -7.610 -7.010 24 2HG2 THR 13 2HG2 THR 13 3.466 -6.400 -6.234 25 3HG2 THR 13 3HG2 THR 13 4.866 -5.896 -7.179 26 H GLU 14 H GLU 14 2.871 -4.069 -10.527 27 HA GLU 14 HA GLU 14 0.261 -4.601 -11.731 28 1HB GLU 14 2HB GLU 14 1.824 -2.347 -11.703 29 2HB GLU 14 3HB GLU 14 2.193 -3.027 -13.281 30 1HG GLU 14 2HG GLU 14 0.041 -2.773 -14.049 31 2HG GLU 14 3HG GLU 14 -0.649 -2.762 -12.428 32 H HIS 15 H HIS 15 0.094 -6.432 -12.839 33 HA HIS 15 HA HIS 15 2.243 -7.129 -14.716 34 1HB HIS 15 2HB HIS 15 1.444 -8.634 -12.402 35 2HB HIS 15 3HB HIS 15 1.073 -9.555 -13.856 36 HD1 HIS 15 HD1 HIS 15 2.915 -11.259 -13.749 37 HD2 HIS 15 HD2 HIS 15 4.318 -7.361 -13.430 38 HE1 HIS 15 HE1 HIS 15 5.421 -11.434 -13.878 39 H LYS 16 H LYS 16 1.545 -7.540 -16.714 40 HA LYS 16 HA LYS 16 -1.349 -7.718 -17.149 41 1HB LYS 16 2HB LYS 16 -0.715 -7.233 -19.549 42 2HB LYS 16 3HB LYS 16 -0.381 -5.945 -18.399 43 1HG LYS 16 2HG LYS 16 1.954 -6.500 -18.369 44 2HG LYS 16 3HG LYS 16 1.668 -7.924 -19.372 45 1HD LYS 16 2HD LYS 16 0.790 -5.277 -20.406 46 2HD LYS 16 3HD LYS 16 2.517 -5.639 -20.404 47 1HE LYS 16 2HE LYS 16 0.405 -7.412 -21.622 48 2HE LYS 16 3HE LYS 16 1.353 -6.232 -22.525 49 1HZ LYS 16 1HZ LYS 16 2.287 -8.700 -21.193 50 2HZ LYS 16 2HZ LYS 16 3.360 -7.462 -21.615 51 3HZ LYS 16 3HZ LYS 16 2.462 -8.247 -22.814 52 H SER 17 H SER 17 -2.304 -9.418 -18.164 53 HA SER 17 HA SER 17 -1.047 -11.932 -18.083 54 1HB SER 17 2HB SER 17 -3.219 -12.489 -18.128 55 2HB SER 17 3HB SER 17 -3.666 -10.889 -18.719 56 HG SER 17 HG SER 17 -4.246 -12.188 -20.347 57 HA PRO 18 HA PRO 18 0.968 -12.414 -21.948 58 1HB PRO 18 2HB PRO 18 0.299 -14.943 -22.674 59 2HB PRO 18 3HB PRO 18 1.415 -14.587 -21.351 60 1HG PRO 18 2HG PRO 18 -1.492 -15.293 -21.240 61 2HG PRO 18 3HG PRO 18 -0.162 -15.868 -20.219 62 1HD PRO 18 2HD PRO 18 -1.878 -13.933 -19.420 63 2HD PRO 18 3HD PRO 18 -0.178 -13.971 -18.910 64 H ASP 19 H ASP 19 -2.364 -12.255 -21.777 65 HA ASP 19 HA ASP 19 -2.719 -12.522 -24.679 66 1HB ASP 19 2HB ASP 19 -4.257 -13.765 -23.114 67 2HB ASP 19 3HB ASP 19 -4.873 -12.202 -22.584 68 H GLY 20 H GLY 20 -2.053 -10.201 -22.420 69 1HA GLY 20 2HA GLY 20 -1.759 -7.919 -22.983 70 2HA GLY 20 3HA GLY 20 -2.982 -8.096 -24.232 71 H ARG 21 H ARG 21 -2.921 -8.712 -20.720 72 HA ARG 21 HA ARG 21 -5.112 -6.786 -20.412 73 1HB ARG 21 2HB ARG 21 -5.944 -9.193 -20.584 74 2HB ARG 21 3HB ARG 21 -5.150 -9.469 -19.040 75 1HG ARG 21 2HG ARG 21 -7.438 -9.041 -18.597 76 2HG ARG 21 3HG ARG 21 -6.534 -7.612 -18.095 77 1HD ARG 21 2HD ARG 21 -7.578 -7.675 -20.871 78 2HD ARG 21 3HD ARG 21 -8.745 -7.459 -19.567 79 HE ARG 21 HE ARG 21 -6.828 -5.548 -20.502 80 1HH1 ARG 21 2HH1 ARG 21 -8.682 -6.590 -17.747 81 2HH1 ARG 21 1HH1 ARG 21 -8.666 -5.035 -16.983 82 1HH2 ARG 21 2HH2 ARG 21 -6.800 -3.495 -19.508 83 2HH2 ARG 21 1HH2 ARG 21 -7.596 -3.275 -17.986 84 H THR 22 H THR 22 -3.995 -5.288 -19.275 85 HA THR 22 HA THR 22 -2.051 -5.882 -17.303 86 HB THR 22 HB THR 22 -3.603 -3.301 -17.463 87 HG1 THR 22 HG1 THR 22 -1.440 -4.213 -19.077 88 1HG2 THR 22 1HG2 THR 22 -1.605 -2.306 -16.588 89 2HG2 THR 22 2HG2 THR 22 -0.717 -3.821 -16.751 90 3HG2 THR 22 3HG2 THR 22 -2.015 -3.683 -15.566 91 H TYR 23 H TYR 23 -2.507 -6.892 -15.459 92 HA TYR 23 HA TYR 23 -4.910 -6.055 -13.972 93 1HB TYR 23 2HB TYR 23 -5.066 -8.330 -13.075 94 2HB TYR 23 3HB TYR 23 -5.156 -8.342 -14.832 95 HD1 TYR 23 HD1 TYR 23 -2.891 -8.969 -11.965 96 HD2 TYR 23 HD2 TYR 23 -3.607 -9.574 -16.115 97 HE1 TYR 23 HE1 TYR 23 -1.047 -10.595 -12.040 98 HE2 TYR 23 HE2 TYR 23 -1.766 -11.203 -16.202 99 HH TYR 23 HH TYR 23 0.209 -11.896 -13.337 100 H TYR 24 H TYR 24 -4.753 -6.081 -11.668 101 HA TYR 24 HA TYR 24 -1.999 -5.660 -10.729 102 1HB TYR 24 2HB TYR 24 -4.577 -4.708 -9.466 103 2HB TYR 24 3HB TYR 24 -2.944 -4.271 -8.976 104 HD1 TYR 24 HD1 TYR 24 -5.437 -3.926 -11.692 105 HD2 TYR 24 HD2 TYR 24 -1.787 -2.500 -10.035 106 HE1 TYR 24 HE1 TYR 24 -5.501 -2.001 -13.223 107 HE2 TYR 24 HE2 TYR 24 -1.841 -0.571 -11.561 108 HH TYR 24 HH TYR 24 -3.206 -0.298 -14.132 109 H TYR 25 H TYR 25 -1.207 -6.726 -8.969 110 HA TYR 25 HA TYR 25 -2.981 -8.663 -7.643 111 1HB TYR 25 2HB TYR 25 -1.672 -9.903 -9.268 112 2HB TYR 25 3HB TYR 25 -0.183 -9.181 -8.669 113 HD1 TYR 25 HD1 TYR 25 0.699 -9.826 -6.448 114 HD2 TYR 25 HD2 TYR 25 -2.681 -11.763 -8.157 115 HE1 TYR 25 HE1 TYR 25 0.964 -11.680 -4.854 116 HE2 TYR 25 HE2 TYR 25 -2.426 -13.623 -6.567 117 HH TYR 25 HH TYR 25 -1.222 -14.481 -4.916 118 H ASN 26 H ASN 26 -3.032 -8.303 -5.536 119 HA ASN 26 HA ASN 26 -1.033 -6.660 -4.261 120 1HB ASN 26 2HB ASN 26 -3.426 -6.417 -3.707 121 2HB ASN 26 3HB ASN 26 -3.441 -8.062 -3.078 122 1HD2 ASN 26 1HD2 ASN 26 -1.083 -5.444 -2.734 123 2HD2 ASN 26 2HD2 ASN 26 -1.139 -5.388 -1.008 124 H THR 27 H THR 27 0.721 -7.369 -3.252 125 HA THR 27 HA THR 27 1.168 -10.204 -2.936 126 HB THR 27 HB THR 27 3.419 -9.671 -2.386 127 HG1 THR 27 HG1 THR 27 3.999 -7.422 -2.001 128 1HG2 THR 27 1HG2 THR 27 3.271 -7.416 -4.187 129 2HG2 THR 27 2HG2 THR 27 2.207 -8.720 -4.714 130 3HG2 THR 27 3HG2 THR 27 3.924 -9.030 -4.463 131 H GLU 28 H GLU 28 -0.183 -7.777 -1.046 132 HA GLU 28 HA GLU 28 0.709 -8.783 1.512 133 1HB GLU 28 2HB GLU 28 -0.057 -6.347 0.806 134 2HB GLU 28 3HB GLU 28 -1.642 -6.964 1.249 135 1HG GLU 28 2HG GLU 28 -0.547 -7.668 3.450 136 2HG GLU 28 3HG GLU 28 0.777 -6.605 2.977 137 H THR 29 H THR 29 -2.200 -8.933 -0.479 138 HA THR 29 HA THR 29 -3.367 -10.841 1.436 139 HB THR 29 HB THR 29 -5.534 -10.348 0.511 140 HG1 THR 29 HG1 THR 29 -4.005 -9.139 -1.492 141 1HG2 THR 29 1HG2 THR 29 -4.888 -8.805 2.212 142 2HG2 THR 29 2HG2 THR 29 -5.659 -7.869 0.931 143 3HG2 THR 29 3HG2 THR 29 -3.902 -7.879 1.082 144 H LYS 30 H LYS 30 -1.721 -10.717 -1.439 145 HA LYS 30 HA LYS 30 -1.303 -12.220 -3.094 146 1HB LYS 30 2HB LYS 30 -2.769 -14.170 -1.307 147 2HB LYS 30 3HB LYS 30 -1.678 -14.581 -2.625 148 1HG LYS 30 2HG LYS 30 -0.731 -12.930 -0.317 149 2HG LYS 30 3HG LYS 30 -0.810 -14.690 -0.205 150 1HD LYS 30 2HD LYS 30 0.720 -14.955 -2.006 151 2HD LYS 30 3HD LYS 30 0.623 -13.243 -2.425 152 1HE LYS 30 2HE LYS 30 2.678 -13.552 -1.281 153 2HE LYS 30 3HE LYS 30 1.587 -12.744 -0.156 154 1HZ LYS 30 1HZ LYS 30 1.134 -15.337 0.383 155 2HZ LYS 30 2HZ LYS 30 2.217 -14.357 1.236 156 3HZ LYS 30 3HZ LYS 30 2.782 -15.366 0.002 157 H GLN 31 H GLN 31 -3.618 -10.606 -3.328 158 HA GLN 31 HA GLN 31 -5.466 -12.405 -4.749 159 1HB GLN 31 2HB GLN 31 -5.961 -9.677 -3.547 160 2HB GLN 31 3HB GLN 31 -7.132 -10.561 -4.516 161 1HG GLN 31 2HG GLN 31 -5.955 -11.856 -2.105 162 2HG GLN 31 3HG GLN 31 -7.224 -10.647 -1.914 163 1HE2 GLN 31 1HE2 GLN 31 -6.659 -13.852 -2.164 164 2HE2 GLN 31 2HE2 GLN 31 -8.191 -14.381 -2.760 165 H SER 32 H SER 32 -6.589 -11.312 -6.636 166 HA SER 32 HA SER 32 -4.840 -9.423 -8.038 167 1HB SER 32 2HB SER 32 -4.421 -10.774 -9.833 168 2HB SER 32 3HB SER 32 -4.607 -12.038 -8.618 169 HG SER 32 HG SER 32 -6.839 -12.147 -9.264 170 H THR 33 H THR 33 -5.867 -8.160 -9.611 171 HA THR 33 HA THR 33 -8.716 -8.512 -10.067 172 HB THR 33 HB THR 33 -8.568 -7.168 -7.971 173 HG1 THR 33 HG1 THR 33 -10.345 -6.884 -9.384 174 1HG2 THR 33 1HG2 THR 33 -7.231 -5.155 -9.783 175 2HG2 THR 33 2HG2 THR 33 -6.499 -5.970 -8.401 176 3HG2 THR 33 3HG2 THR 33 -7.814 -4.822 -8.153 177 H TRP 34 H TRP 34 -9.527 -6.613 -11.496 178 HA TRP 34 HA TRP 34 -7.525 -6.246 -13.608 179 1HB TRP 34 2HB TRP 34 -10.525 -5.889 -13.769 180 2HB TRP 34 3HB TRP 34 -9.391 -5.895 -15.118 181 HD1 TRP 34 HD1 TRP 34 -11.665 -8.129 -13.281 182 HE1 TRP 34 HE1 TRP 34 -11.240 -10.587 -13.914 183 HE3 TRP 34 HE3 TRP 34 -7.188 -7.584 -15.688 184 HZ2 TRP 34 HZ2 TRP 34 -9.267 -12.095 -15.256 185 HZ3 TRP 34 HZ3 TRP 34 -6.097 -9.584 -16.617 186 HH2 TRP 34 HH2 TRP 34 -7.117 -11.793 -16.404 187 H GLU 35 H GLU 35 -9.326 -4.537 -11.244 188 HA GLU 35 HA GLU 35 -8.955 -1.963 -12.563 189 1HB GLU 35 2HB GLU 35 -10.210 -1.053 -10.637 190 2HB GLU 35 3HB GLU 35 -11.090 -2.321 -11.478 191 1HG GLU 35 2HG GLU 35 -10.777 -3.853 -9.760 192 2HG GLU 35 3HG GLU 35 -9.439 -2.941 -9.063 193 H LYS 36 H LYS 36 -7.887 -0.197 -11.497 194 HA LYS 36 HA LYS 36 -5.411 -0.996 -10.292 195 1HB LYS 36 2HB LYS 36 -4.974 1.474 -10.220 196 2HB LYS 36 3HB LYS 36 -5.352 0.845 -11.818 197 1HG LYS 36 2HG LYS 36 -7.723 1.737 -10.408 198 2HG LYS 36 3HG LYS 36 -6.522 3.018 -10.585 199 1HD LYS 36 2HD LYS 36 -7.202 1.303 -12.934 200 2HD LYS 36 3HD LYS 36 -8.300 2.601 -12.460 201 1HE LYS 36 2HE LYS 36 -6.792 4.250 -12.980 202 2HE LYS 36 3HE LYS 36 -5.396 3.208 -12.711 203 1HZ LYS 36 1HZ LYS 36 -6.268 3.893 -15.122 204 2HZ LYS 36 2HZ LYS 36 -7.137 2.458 -14.911 205 3HZ LYS 36 3HZ LYS 36 -5.448 2.446 -14.813 206 HA PRO 37 HA PRO 37 -6.363 -0.587 -6.026 207 1HB PRO 37 2HB PRO 37 -4.024 0.384 -5.049 208 2HB PRO 37 3HB PRO 37 -4.216 -1.284 -5.600 209 1HG PRO 37 2HG PRO 37 -3.029 1.060 -7.035 210 2HG PRO 37 3HG PRO 37 -2.446 -0.612 -6.950 211 1HD PRO 37 2HD PRO 37 -3.803 0.350 -9.086 212 2HD PRO 37 3HD PRO 37 -3.921 -1.342 -8.564 213 H ASP 38 H ASP 38 -7.922 1.174 -6.556 214 HA ASP 38 HA ASP 38 -6.944 3.865 -5.946 215 1HB ASP 38 2HB ASP 38 -8.403 3.519 -7.936 216 2HB ASP 38 3HB ASP 38 -9.696 3.001 -6.858 217 H ASP 39 H ASP 39 -8.979 1.324 -4.682 218 HA ASP 39 HA ASP 39 -10.248 2.859 -2.659 219 1HB ASP 39 2HB ASP 39 -9.743 -0.122 -2.781 220 2HB ASP 39 3HB ASP 39 -10.861 0.683 -1.684 Start of MODEL 17 1 1H GLY 10 H GLY 10 0.260 1.109 -2.445 2 1HA GLY 10 2HA GLY 10 2.571 0.929 -1.493 3 2HA GLY 10 3HA GLY 10 1.426 -0.147 -0.707 4 H SER 11 H SER 11 1.187 -2.331 -1.879 5 HA SER 11 HA SER 11 3.856 -3.247 -2.729 6 1HB SER 11 2HB SER 11 3.098 -5.477 -1.643 7 2HB SER 11 3HB SER 11 3.639 -4.173 -0.586 8 HG SER 11 HG SER 11 1.459 -3.655 -0.214 9 H TRP 12 H TRP 12 0.892 -2.657 -3.832 10 HA TRP 12 HA TRP 12 0.208 -5.079 -5.166 11 1HB TRP 12 2HB TRP 12 -0.632 -2.220 -5.685 12 2HB TRP 12 3HB TRP 12 -1.337 -3.625 -6.480 13 HD1 TRP 12 HD1 TRP 12 -0.857 -2.337 -2.844 14 HE1 TRP 12 HE1 TRP 12 -2.934 -3.023 -1.487 15 HE3 TRP 12 HE3 TRP 12 -3.359 -4.953 -6.454 16 HZ2 TRP 12 HZ2 TRP 12 -5.317 -4.480 -1.893 17 HZ3 TRP 12 HZ3 TRP 12 -5.530 -5.962 -5.889 18 HH2 TRP 12 HH2 TRP 12 -6.487 -5.730 -3.654 19 H THR 13 H THR 13 1.232 -5.959 -6.825 20 HA THR 13 HA THR 13 3.038 -4.331 -8.439 21 HB THR 13 HB THR 13 3.901 -6.434 -9.318 22 HG1 THR 13 HG1 THR 13 1.876 -7.640 -7.709 23 1HG2 THR 13 1HG2 THR 13 4.157 -7.491 -6.780 24 2HG2 THR 13 2HG2 THR 13 3.826 -5.785 -6.479 25 3HG2 THR 13 3HG2 THR 13 5.189 -6.254 -7.495 26 H GLU 14 H GLU 14 2.826 -4.004 -10.614 27 HA GLU 14 HA GLU 14 0.199 -4.621 -11.743 28 1HB GLU 14 2HB GLU 14 1.533 -2.289 -11.723 29 2HB GLU 14 3HB GLU 14 2.136 -2.944 -13.239 30 1HG GLU 14 2HG GLU 14 -0.243 -3.285 -13.935 31 2HG GLU 14 3HG GLU 14 -0.722 -2.394 -12.492 32 H HIS 15 H HIS 15 0.079 -6.471 -12.828 33 HA HIS 15 HA HIS 15 2.216 -7.101 -14.746 34 1HB HIS 15 2HB HIS 15 1.307 -8.692 -12.477 35 2HB HIS 15 3HB HIS 15 1.205 -9.574 -13.998 36 HD1 HIS 15 HD1 HIS 15 3.347 -9.638 -11.414 37 HD2 HIS 15 HD2 HIS 15 3.978 -8.618 -15.392 38 HE1 HIS 15 HE1 HIS 15 5.809 -9.967 -11.810 39 H LYS 16 H LYS 16 1.500 -7.422 -16.747 40 HA LYS 16 HA LYS 16 -1.387 -7.679 -17.168 41 1HB LYS 16 2HB LYS 16 -0.785 -7.131 -19.559 42 2HB LYS 16 3HB LYS 16 -0.455 -5.862 -18.387 43 1HG LYS 16 2HG LYS 16 1.894 -6.428 -18.380 44 2HG LYS 16 3HG LYS 16 1.595 -7.786 -19.468 45 1HD LYS 16 2HD LYS 16 1.004 -4.907 -20.147 46 2HD LYS 16 3HD LYS 16 2.491 -5.746 -20.594 47 1HE LYS 16 2HE LYS 16 1.316 -6.146 -22.491 48 2HE LYS 16 3HE LYS 16 0.717 -7.504 -21.540 49 1HZ LYS 16 1HZ LYS 16 -0.748 -5.023 -21.228 50 2HZ LYS 16 2HZ LYS 16 -1.320 -6.606 -21.386 51 3HZ LYS 16 3HZ LYS 16 -0.859 -5.734 -22.759 52 H SER 17 H SER 17 -2.312 -9.379 -18.214 53 HA SER 17 HA SER 17 -1.004 -11.868 -18.183 54 1HB SER 17 2HB SER 17 -3.081 -12.671 -18.506 55 2HB SER 17 3HB SER 17 -3.625 -10.994 -18.468 56 HG SER 17 HG SER 17 -3.847 -10.999 -20.587 57 HA PRO 18 HA PRO 18 1.007 -12.240 -22.062 58 1HB PRO 18 2HB PRO 18 0.379 -14.765 -22.839 59 2HB PRO 18 3HB PRO 18 1.491 -14.417 -21.510 60 1HG PRO 18 2HG PRO 18 -1.403 -15.173 -21.408 61 2HG PRO 18 3HG PRO 18 -0.061 -15.748 -20.402 62 1HD PRO 18 2HD PRO 18 -1.808 -13.857 -19.560 63 2HD PRO 18 3HD PRO 18 -0.106 -13.878 -19.054 64 H ASP 19 H ASP 19 -2.327 -12.141 -21.881 65 HA ASP 19 HA ASP 19 -2.677 -12.341 -24.791 66 1HB ASP 19 2HB ASP 19 -4.182 -13.673 -23.273 67 2HB ASP 19 3HB ASP 19 -4.835 -12.147 -22.684 68 H GLY 20 H GLY 20 -2.064 -10.072 -22.470 69 1HA GLY 20 2HA GLY 20 -1.833 -7.767 -22.967 70 2HA GLY 20 3HA GLY 20 -3.058 -7.940 -24.215 71 H ARG 21 H ARG 21 -2.966 -8.662 -20.724 72 HA ARG 21 HA ARG 21 -5.212 -6.810 -20.354 73 1HB ARG 21 2HB ARG 21 -5.958 -9.243 -20.570 74 2HB ARG 21 3HB ARG 21 -5.144 -9.519 -19.036 75 1HG ARG 21 2HG ARG 21 -7.423 -9.182 -18.537 76 2HG ARG 21 3HG ARG 21 -6.587 -7.700 -18.068 77 1HD ARG 21 2HD ARG 21 -7.207 -6.890 -20.449 78 2HD ARG 21 3HD ARG 21 -8.388 -8.199 -20.407 79 HE ARG 21 HE ARG 21 -8.614 -6.645 -18.069 80 1HH1 ARG 21 2HH1 ARG 21 -9.252 -6.498 -21.488 81 2HH1 ARG 21 1HH1 ARG 21 -10.567 -5.381 -21.328 82 1HH2 ARG 21 2HH2 ARG 21 -10.343 -5.174 -17.844 83 2HH2 ARG 21 1HH2 ARG 21 -11.186 -4.627 -19.255 84 H THR 22 H THR 22 -4.117 -5.299 -19.207 85 HA THR 22 HA THR 22 -2.144 -5.866 -17.260 86 HB THR 22 HB THR 22 -3.772 -3.333 -17.326 87 HG1 THR 22 HG1 THR 22 -3.079 -3.111 -19.312 88 1HG2 THR 22 1HG2 THR 22 -1.465 -4.220 -15.908 89 2HG2 THR 22 2HG2 THR 22 -2.269 -2.652 -15.831 90 3HG2 THR 22 3HG2 THR 22 -0.983 -2.928 -17.006 91 H TYR 23 H TYR 23 -2.546 -6.920 -15.428 92 HA TYR 23 HA TYR 23 -4.955 -6.181 -13.899 93 1HB TYR 23 2HB TYR 23 -5.054 -8.480 -13.059 94 2HB TYR 23 3HB TYR 23 -5.164 -8.450 -14.815 95 HD1 TYR 23 HD1 TYR 23 -3.624 -9.640 -16.140 96 HD2 TYR 23 HD2 TYR 23 -2.837 -9.083 -11.996 97 HE1 TYR 23 HE1 TYR 23 -1.750 -11.227 -16.288 98 HE2 TYR 23 HE2 TYR 23 -0.961 -10.667 -12.133 99 HH TYR 23 HH TYR 23 0.447 -11.612 -14.938 100 H TYR 24 H TYR 24 -4.758 -6.033 -11.661 101 HA TYR 24 HA TYR 24 -2.010 -5.643 -10.727 102 1HB TYR 24 2HB TYR 24 -4.589 -4.811 -9.388 103 2HB TYR 24 3HB TYR 24 -2.961 -4.311 -8.944 104 HD1 TYR 24 HD1 TYR 24 -1.920 -2.472 -10.006 105 HD2 TYR 24 HD2 TYR 24 -5.547 -4.042 -11.581 106 HE1 TYR 24 HE1 TYR 24 -2.104 -0.528 -11.502 107 HE2 TYR 24 HE2 TYR 24 -5.741 -2.103 -13.082 108 HH TYR 24 HH TYR 24 -3.448 -0.225 -13.967 109 H TYR 25 H TYR 25 -1.186 -6.652 -8.925 110 HA TYR 25 HA TYR 25 -2.863 -8.672 -7.611 111 1HB TYR 25 2HB TYR 25 -1.585 -9.848 -9.327 112 2HB TYR 25 3HB TYR 25 -0.088 -9.153 -8.717 113 HD1 TYR 25 HD1 TYR 25 -2.548 -11.775 -8.323 114 HD2 TYR 25 HD2 TYR 25 0.762 -9.844 -6.474 115 HE1 TYR 25 HE1 TYR 25 -2.288 -13.690 -6.802 116 HE2 TYR 25 HE2 TYR 25 1.032 -11.754 -4.949 117 HH TYR 25 HH TYR 25 -0.880 -14.683 -5.314 118 H ASN 26 H ASN 26 -2.819 -8.383 -5.492 119 HA ASN 26 HA ASN 26 -0.812 -6.708 -4.271 120 1HB ASN 26 2HB ASN 26 -3.229 -6.614 -3.638 121 2HB ASN 26 3HB ASN 26 -3.068 -8.225 -2.947 122 1HD2 ASN 26 1HD2 ASN 26 -0.970 -5.371 -2.861 123 2HD2 ASN 26 2HD2 ASN 26 -0.902 -5.261 -1.138 124 H THR 27 H THR 27 0.993 -7.376 -3.321 125 HA THR 27 HA THR 27 1.552 -10.203 -3.115 126 HB THR 27 HB THR 27 3.798 -9.618 -2.670 127 HG1 THR 27 HG1 THR 27 4.218 -7.237 -2.286 128 1HG2 THR 27 1HG2 THR 27 4.342 -7.960 -4.416 129 2HG2 THR 27 2HG2 THR 27 2.637 -7.518 -4.505 130 3HG2 THR 27 3HG2 THR 27 3.153 -9.141 -4.963 131 H GLU 28 H GLU 28 0.326 -7.779 -1.071 132 HA GLU 28 HA GLU 28 1.293 -8.892 1.402 133 1HB GLU 28 2HB GLU 28 0.598 -6.443 0.909 134 2HB GLU 28 3HB GLU 28 -1.042 -7.017 1.174 135 1HG GLU 28 2HG GLU 28 -0.709 -7.376 3.408 136 2HG GLU 28 3HG GLU 28 1.028 -7.617 3.222 137 H THR 29 H THR 29 -1.742 -8.926 -0.414 138 HA THR 29 HA THR 29 -2.834 -10.880 1.489 139 HB THR 29 HB THR 29 -5.018 -10.407 0.581 140 HG1 THR 29 HG1 THR 29 -3.987 -8.427 -1.137 141 1HG2 THR 29 1HG2 THR 29 -5.140 -7.917 0.996 142 2HG2 THR 29 2HG2 THR 29 -3.384 -7.940 1.159 143 3HG2 THR 29 3HG2 THR 29 -4.386 -8.865 2.278 144 H LYS 30 H LYS 30 -1.318 -10.704 -1.492 145 HA LYS 30 HA LYS 30 -0.908 -12.224 -3.134 146 1HB LYS 30 2HB LYS 30 -2.310 -14.267 -1.416 147 2HB LYS 30 3HB LYS 30 -1.064 -14.546 -2.625 148 1HG LYS 30 2HG LYS 30 0.358 -14.597 -0.917 149 2HG LYS 30 3HG LYS 30 0.174 -12.842 -0.867 150 1HD LYS 30 2HD LYS 30 -1.116 -12.898 0.997 151 2HD LYS 30 3HD LYS 30 -1.888 -14.420 0.546 152 1HE LYS 30 2HE LYS 30 -0.509 -14.712 2.527 153 2HE LYS 30 3HE LYS 30 0.147 -15.631 1.173 154 1HZ LYS 30 1HZ LYS 30 1.687 -14.166 2.661 155 2HZ LYS 30 2HZ LYS 30 1.153 -12.918 1.653 156 3HZ LYS 30 3HZ LYS 30 1.946 -14.258 0.992 157 H GLN 31 H GLN 31 -3.258 -10.658 -3.299 158 HA GLN 31 HA GLN 31 -5.115 -12.505 -4.647 159 1HB GLN 31 2HB GLN 31 -5.651 -9.784 -3.444 160 2HB GLN 31 3HB GLN 31 -6.831 -10.737 -4.335 161 1HG GLN 31 2HG GLN 31 -5.533 -11.453 -1.717 162 2HG GLN 31 3HG GLN 31 -7.213 -10.989 -1.982 163 1HE2 GLN 31 1HE2 GLN 31 -8.661 -12.510 -2.507 164 2HE2 GLN 31 2HE2 GLN 31 -8.286 -14.173 -2.788 165 H SER 32 H SER 32 -6.351 -11.409 -6.475 166 HA SER 32 HA SER 32 -4.684 -9.494 -7.941 167 1HB SER 32 2HB SER 32 -4.293 -10.846 -9.727 168 2HB SER 32 3HB SER 32 -4.525 -12.135 -8.546 169 HG SER 32 HG SER 32 -6.114 -11.367 -10.654 170 H THR 33 H THR 33 -5.793 -8.270 -9.515 171 HA THR 33 HA THR 33 -8.656 -8.620 -9.820 172 HB THR 33 HB THR 33 -8.471 -7.303 -7.731 173 HG1 THR 33 HG1 THR 33 -10.225 -6.341 -8.403 174 1HG2 THR 33 1HG2 THR 33 -7.682 -4.956 -7.891 175 2HG2 THR 33 2HG2 THR 33 -7.091 -5.297 -9.517 176 3HG2 THR 33 3HG2 THR 33 -6.393 -6.134 -8.131 177 H TRP 34 H TRP 34 -9.579 -7.021 -11.355 178 HA TRP 34 HA TRP 34 -7.623 -6.450 -13.452 179 1HB TRP 34 2HB TRP 34 -10.643 -6.360 -13.602 180 2HB TRP 34 3HB TRP 34 -9.519 -6.290 -14.957 181 HD1 TRP 34 HD1 TRP 34 -11.513 -8.694 -12.962 182 HE1 TRP 34 HE1 TRP 34 -10.903 -11.112 -13.601 183 HE3 TRP 34 HE3 TRP 34 -7.272 -7.774 -15.663 184 HZ2 TRP 34 HZ2 TRP 34 -8.890 -12.451 -15.057 185 HZ3 TRP 34 HZ3 TRP 34 -6.063 -9.679 -16.645 186 HH2 TRP 34 HH2 TRP 34 -6.856 -11.968 -16.347 187 H GLU 35 H GLU 35 -9.417 -4.867 -11.041 188 HA GLU 35 HA GLU 35 -9.166 -2.277 -12.409 189 1HB GLU 35 2HB GLU 35 -10.828 -1.422 -10.927 190 2HB GLU 35 3HB GLU 35 -11.415 -2.967 -11.526 191 1HG GLU 35 2HG GLU 35 -10.491 -3.981 -9.395 192 2HG GLU 35 3HG GLU 35 -10.307 -2.327 -8.813 193 H LYS 36 H LYS 36 -8.285 -0.480 -11.282 194 HA LYS 36 HA LYS 36 -5.888 -0.908 -9.990 195 1HB LYS 36 2HB LYS 36 -7.625 1.373 -10.512 196 2HB LYS 36 3HB LYS 36 -6.729 1.549 -9.009 197 1HG LYS 36 2HG LYS 36 -4.825 0.651 -10.792 198 2HG LYS 36 3HG LYS 36 -5.817 1.750 -11.753 199 1HD LYS 36 2HD LYS 36 -5.577 3.376 -9.784 200 2HD LYS 36 3HD LYS 36 -4.269 2.321 -9.243 201 1HE LYS 36 2HE LYS 36 -4.142 3.072 -12.076 202 2HE LYS 36 3HE LYS 36 -3.982 4.424 -10.956 203 1HZ LYS 36 1HZ LYS 36 -2.398 2.363 -9.978 204 2HZ LYS 36 2HZ LYS 36 -1.887 3.829 -10.648 205 3HZ LYS 36 3HZ LYS 36 -2.073 2.468 -11.635 206 HA PRO 37 HA PRO 37 -6.708 -1.869 -5.788 207 1HB PRO 37 2HB PRO 37 -4.735 -0.517 -4.503 208 2HB PRO 37 3HB PRO 37 -4.434 -1.964 -5.473 209 1HG PRO 37 2HG PRO 37 -4.080 0.916 -6.208 210 2HG PRO 37 3HG PRO 37 -3.012 -0.461 -6.535 211 1HD PRO 37 2HD PRO 37 -4.688 0.558 -8.401 212 2HD PRO 37 3HD PRO 37 -4.264 -1.165 -8.338 213 H ASP 38 H ASP 38 -6.846 1.374 -6.879 214 HA ASP 38 HA ASP 38 -7.760 2.452 -4.345 215 1HB ASP 38 2HB ASP 38 -7.342 3.630 -7.086 216 2HB ASP 38 3HB ASP 38 -8.149 4.532 -5.806 217 H ASP 39 H ASP 39 -9.168 2.523 -7.622 218 HA ASP 39 HA ASP 39 -11.834 2.536 -6.432 219 1HB ASP 39 2HB ASP 39 -12.600 3.044 -8.741 220 2HB ASP 39 3HB ASP 39 -11.426 4.209 -8.136 Start of MODEL 18 1 1H GLY 10 H GLY 10 1.355 0.384 -2.737 2 1HA GLY 10 2HA GLY 10 2.199 -0.049 0.051 3 2HA GLY 10 3HA GLY 10 0.781 -0.881 -0.569 4 H SER 11 H SER 11 1.031 -2.741 -1.677 5 HA SER 11 HA SER 11 3.714 -3.471 -2.606 6 1HB SER 11 2HB SER 11 2.087 -5.553 -1.201 7 2HB SER 11 3HB SER 11 3.835 -5.448 -1.404 8 HG SER 11 HG SER 11 3.305 -4.957 0.722 9 H TRP 12 H TRP 12 1.305 -2.635 -3.995 10 HA TRP 12 HA TRP 12 0.281 -5.058 -5.236 11 1HB TRP 12 2HB TRP 12 -0.363 -2.137 -5.682 12 2HB TRP 12 3HB TRP 12 -1.138 -3.465 -6.542 13 HD1 TRP 12 HD1 TRP 12 -0.696 -2.267 -2.876 14 HE1 TRP 12 HE1 TRP 12 -2.828 -2.895 -1.578 15 HE3 TRP 12 HE3 TRP 12 -3.191 -4.763 -6.574 16 HZ2 TRP 12 HZ2 TRP 12 -5.247 -4.268 -2.059 17 HZ3 TRP 12 HZ3 TRP 12 -5.408 -5.704 -6.073 18 HH2 TRP 12 HH2 TRP 12 -6.413 -5.461 -3.861 19 H THR 13 H THR 13 1.245 -5.962 -6.919 20 HA THR 13 HA THR 13 3.157 -4.399 -8.488 21 HB THR 13 HB THR 13 3.972 -6.519 -9.350 22 HG1 THR 13 HG1 THR 13 2.098 -7.742 -9.445 23 1HG2 THR 13 1HG2 THR 13 4.952 -5.861 -7.270 24 2HG2 THR 13 2HG2 THR 13 4.653 -7.597 -7.187 25 3HG2 THR 13 3HG2 THR 13 3.572 -6.475 -6.361 26 H GLU 14 H GLU 14 3.041 -4.186 -10.712 27 HA GLU 14 HA GLU 14 0.383 -4.663 -11.852 28 1HB GLU 14 2HB GLU 14 1.819 -2.387 -11.834 29 2HB GLU 14 3HB GLU 14 2.393 -3.077 -13.346 30 1HG GLU 14 2HG GLU 14 -0.094 -3.376 -13.913 31 2HG GLU 14 3HG GLU 14 -0.379 -2.240 -12.595 32 H HIS 15 H HIS 15 0.217 -6.533 -12.900 33 HA HIS 15 HA HIS 15 2.347 -7.254 -14.796 34 1HB HIS 15 2HB HIS 15 1.450 -8.752 -12.495 35 2HB HIS 15 3HB HIS 15 1.157 -9.663 -13.973 36 HD1 HIS 15 HD1 HIS 15 3.433 -10.003 -11.603 37 HD2 HIS 15 HD2 HIS 15 3.931 -8.827 -15.556 38 HE1 HIS 15 HE1 HIS 15 5.832 -10.514 -12.159 39 H LYS 16 H LYS 16 1.642 -7.578 -16.802 40 HA LYS 16 HA LYS 16 -1.248 -7.732 -17.253 41 1HB LYS 16 2HB LYS 16 -0.601 -7.231 -19.642 42 2HB LYS 16 3HB LYS 16 -0.240 -5.962 -18.479 43 1HG LYS 16 2HG LYS 16 2.077 -6.523 -18.473 44 2HG LYS 16 3HG LYS 16 1.781 -7.978 -19.428 45 1HD LYS 16 2HD LYS 16 1.093 -5.235 -20.447 46 2HD LYS 16 3HD LYS 16 2.702 -5.932 -20.652 47 1HE LYS 16 2HE LYS 16 0.123 -7.178 -21.599 48 2HE LYS 16 3HE LYS 16 1.259 -6.293 -22.615 49 1HZ LYS 16 1HZ LYS 16 2.877 -8.093 -21.518 50 2HZ LYS 16 2HZ LYS 16 2.065 -8.345 -22.980 51 3HZ LYS 16 3HZ LYS 16 1.439 -8.985 -21.545 52 H SER 17 H SER 17 -2.222 -9.406 -18.298 53 HA SER 17 HA SER 17 -1.007 -11.941 -18.225 54 1HB SER 17 2HB SER 17 -3.186 -12.463 -18.298 55 2HB SER 17 3HB SER 17 -3.601 -10.850 -18.878 56 HG SER 17 HG SER 17 -3.677 -13.102 -20.229 57 HA PRO 18 HA PRO 18 1.041 -12.423 -22.073 58 1HB PRO 18 2HB PRO 18 0.336 -14.933 -22.830 59 2HB PRO 18 3HB PRO 18 1.444 -14.609 -21.491 60 1HG PRO 18 2HG PRO 18 -1.476 -15.265 -21.417 61 2HG PRO 18 3HG PRO 18 -0.167 -15.873 -20.388 62 1HD PRO 18 2HD PRO 18 -1.858 -13.915 -19.589 63 2HD PRO 18 3HD PRO 18 -0.165 -13.988 -19.061 64 H ASP 19 H ASP 19 -2.290 -12.208 -21.935 65 HA ASP 19 HA ASP 19 -2.613 -12.434 -24.846 66 1HB ASP 19 2HB ASP 19 -4.183 -13.683 -23.315 67 2HB ASP 19 3HB ASP 19 -4.792 -12.121 -22.776 68 H GLY 20 H GLY 20 -1.940 -10.156 -22.551 69 1HA GLY 20 2HA GLY 20 -1.619 -7.869 -23.077 70 2HA GLY 20 3HA GLY 20 -2.834 -8.014 -24.338 71 H ARG 21 H ARG 21 -2.813 -8.689 -20.837 72 HA ARG 21 HA ARG 21 -4.988 -6.745 -20.519 73 1HB ARG 21 2HB ARG 21 -5.825 -9.153 -20.721 74 2HB ARG 21 3HB ARG 21 -5.053 -9.437 -19.167 75 1HG ARG 21 2HG ARG 21 -7.323 -9.001 -18.714 76 2HG ARG 21 3HG ARG 21 -6.443 -7.539 -18.262 77 1HD ARG 21 2HD ARG 21 -6.991 -6.787 -20.692 78 2HD ARG 21 3HD ARG 21 -8.241 -8.027 -20.601 79 HE ARG 21 HE ARG 21 -8.269 -5.471 -19.337 80 1HH1 ARG 21 2HH1 ARG 21 -9.328 -8.771 -19.009 81 2HH1 ARG 21 1HH1 ARG 21 -10.683 -8.373 -18.006 82 1HH2 ARG 21 2HH2 ARG 21 -10.050 -4.934 -18.017 83 2HH2 ARG 21 1HH2 ARG 21 -11.094 -6.190 -17.443 84 H THR 22 H THR 22 -3.865 -5.267 -19.362 85 HA THR 22 HA THR 22 -1.937 -5.893 -17.385 86 HB THR 22 HB THR 22 -3.467 -3.300 -17.494 87 HG1 THR 22 HG1 THR 22 -1.139 -3.824 -19.024 88 1HG2 THR 22 1HG2 THR 22 -2.028 -3.001 -15.767 89 2HG2 THR 22 2HG2 THR 22 -0.886 -2.662 -17.068 90 3HG2 THR 22 3HG2 THR 22 -0.929 -4.261 -16.326 91 H TYR 23 H TYR 23 -2.386 -6.888 -15.535 92 HA TYR 23 HA TYR 23 -4.790 -6.053 -14.050 93 1HB TYR 23 2HB TYR 23 -4.996 -8.338 -13.194 94 2HB TYR 23 3HB TYR 23 -5.077 -8.320 -14.952 95 HD1 TYR 23 HD1 TYR 23 -3.562 -9.580 -16.243 96 HD2 TYR 23 HD2 TYR 23 -2.825 -9.023 -12.089 97 HE1 TYR 23 HE1 TYR 23 -1.753 -11.243 -16.347 98 HE2 TYR 23 HE2 TYR 23 -1.013 -10.684 -12.182 99 HH TYR 23 HH TYR 23 -0.043 -12.281 -13.436 100 H TYR 24 H TYR 24 -4.624 -5.972 -11.786 101 HA TYR 24 HA TYR 24 -1.874 -5.637 -10.831 102 1HB TYR 24 2HB TYR 24 -4.463 -4.741 -9.548 103 2HB TYR 24 3HB TYR 24 -2.838 -4.323 -9.019 104 HD1 TYR 24 HD1 TYR 24 -1.698 -2.483 -9.953 105 HD2 TYR 24 HD2 TYR 24 -5.259 -3.905 -11.796 106 HE1 TYR 24 HE1 TYR 24 -1.730 -0.500 -11.407 107 HE2 TYR 24 HE2 TYR 24 -5.300 -1.927 -13.256 108 HH TYR 24 HH TYR 24 -2.676 0.132 -13.638 109 H TYR 25 H TYR 25 -1.109 -6.643 -8.988 110 HA TYR 25 HA TYR 25 -2.836 -8.648 -7.723 111 1HB TYR 25 2HB TYR 25 -1.570 -9.858 -9.410 112 2HB TYR 25 3HB TYR 25 -0.063 -9.168 -8.816 113 HD1 TYR 25 HD1 TYR 25 0.831 -9.870 -6.610 114 HD2 TYR 25 HD2 TYR 25 -2.571 -11.745 -8.346 115 HE1 TYR 25 HE1 TYR 25 1.097 -11.768 -5.068 116 HE2 TYR 25 HE2 TYR 25 -2.315 -13.647 -6.809 117 HH TYR 25 HH TYR 25 0.261 -14.454 -5.296 118 H ASN 26 H ASN 26 -2.840 -8.307 -5.612 119 HA ASN 26 HA ASN 26 -0.795 -6.710 -4.355 120 1HB ASN 26 2HB ASN 26 -3.227 -6.531 -3.781 121 2HB ASN 26 3HB ASN 26 -3.128 -8.135 -3.061 122 1HD2 ASN 26 1HD2 ASN 26 -0.952 -5.339 -2.980 123 2HD2 ASN 26 2HD2 ASN 26 -0.912 -5.204 -1.258 124 H THR 27 H THR 27 0.975 -7.450 -3.398 125 HA THR 27 HA THR 27 1.426 -10.287 -3.163 126 HB THR 27 HB THR 27 3.678 -9.763 -2.597 127 HG1 THR 27 HG1 THR 27 4.235 -7.497 -2.180 128 1HG2 THR 27 1HG2 THR 27 4.189 -9.047 -4.651 129 2HG2 THR 27 2HG2 THR 27 3.491 -7.458 -4.341 130 3HG2 THR 27 3HG2 THR 27 2.464 -8.778 -4.900 131 H GLU 28 H GLU 28 0.149 -7.881 -1.162 132 HA GLU 28 HA GLU 28 1.013 -9.056 1.337 133 1HB GLU 28 2HB GLU 28 0.473 -6.553 0.831 134 2HB GLU 28 3HB GLU 28 -1.194 -7.040 1.101 135 1HG GLU 28 2HG GLU 28 -0.199 -8.062 3.304 136 2HG GLU 28 3HG GLU 28 1.069 -6.872 3.019 137 H THR 29 H THR 29 -1.922 -8.913 -0.618 138 HA THR 29 HA THR 29 -3.222 -10.790 1.234 139 HB THR 29 HB THR 29 -5.334 -10.192 0.168 140 HG1 THR 29 HG1 THR 29 -4.091 -8.140 -1.298 141 1HG2 THR 29 1HG2 THR 29 -4.576 -8.821 2.044 142 2HG2 THR 29 2HG2 THR 29 -5.469 -7.845 0.878 143 3HG2 THR 29 3HG2 THR 29 -3.709 -7.763 0.933 144 H LYS 30 H LYS 30 -1.443 -10.823 -1.529 145 HA LYS 30 HA LYS 30 -1.120 -12.301 -3.229 146 1HB LYS 30 2HB LYS 30 -2.673 -14.269 -1.552 147 2HB LYS 30 3HB LYS 30 -1.407 -14.613 -2.722 148 1HG LYS 30 2HG LYS 30 -0.024 -14.712 -0.988 149 2HG LYS 30 3HG LYS 30 -0.158 -12.953 -0.914 150 1HD LYS 30 2HD LYS 30 -2.288 -13.452 0.504 151 2HD LYS 30 3HD LYS 30 -1.539 -15.034 0.732 152 1HE LYS 30 2HE LYS 30 0.038 -12.537 1.208 153 2HE LYS 30 3HE LYS 30 -1.077 -13.128 2.440 154 1HZ LYS 30 1HZ LYS 30 0.651 -15.164 1.370 155 2HZ LYS 30 2HZ LYS 30 0.292 -14.788 2.979 156 3HZ LYS 30 3HZ LYS 30 1.488 -13.921 2.154 157 H GLN 31 H GLN 31 -3.436 -10.634 -3.403 158 HA GLN 31 HA GLN 31 -5.305 -12.392 -4.849 159 1HB GLN 31 2HB GLN 31 -5.767 -9.686 -3.586 160 2HB GLN 31 3HB GLN 31 -6.951 -10.533 -4.573 161 1HG GLN 31 2HG GLN 31 -5.828 -12.040 -2.301 162 2HG GLN 31 3HG GLN 31 -6.870 -10.675 -1.903 163 1HE2 GLN 31 1HE2 GLN 31 -8.949 -10.620 -3.196 164 2HE2 GLN 31 2HE2 GLN 31 -9.772 -12.125 -3.392 165 H SER 32 H SER 32 -6.461 -11.196 -6.683 166 HA SER 32 HA SER 32 -4.700 -9.312 -8.067 167 1HB SER 32 2HB SER 32 -4.256 -10.640 -9.860 168 2HB SER 32 3HB SER 32 -4.531 -11.941 -8.701 169 HG SER 32 HG SER 32 -6.331 -12.440 -9.685 170 H THR 33 H THR 33 -5.737 -8.161 -9.800 171 HA THR 33 HA THR 33 -8.585 -8.446 -10.174 172 HB THR 33 HB THR 33 -8.441 -7.124 -8.069 173 HG1 THR 33 HG1 THR 33 -9.799 -5.385 -8.916 174 1HG2 THR 33 1HG2 THR 33 -7.671 -4.780 -8.220 175 2HG2 THR 33 2HG2 THR 33 -7.080 -5.100 -9.851 176 3HG2 THR 33 3HG2 THR 33 -6.363 -5.935 -8.473 177 H TRP 34 H TRP 34 -9.405 -6.569 -11.603 178 HA TRP 34 HA TRP 34 -7.400 -6.163 -13.704 179 1HB TRP 34 2HB TRP 34 -10.399 -5.817 -13.885 180 2HB TRP 34 3HB TRP 34 -9.254 -5.843 -15.223 181 HD1 TRP 34 HD1 TRP 34 -11.526 -8.054 -13.333 182 HE1 TRP 34 HE1 TRP 34 -11.116 -10.518 -13.953 183 HE3 TRP 34 HE3 TRP 34 -7.089 -7.537 -15.819 184 HZ2 TRP 34 HZ2 TRP 34 -9.169 -12.042 -15.315 185 HZ3 TRP 34 HZ3 TRP 34 -6.018 -9.548 -16.750 186 HH2 TRP 34 HH2 TRP 34 -7.037 -11.752 -16.501 187 H GLU 35 H GLU 35 -9.206 -4.489 -11.325 188 HA GLU 35 HA GLU 35 -8.864 -1.903 -12.632 189 1HB GLU 35 2HB GLU 35 -10.210 -2.690 -10.044 190 2HB GLU 35 3HB GLU 35 -10.095 -1.036 -10.630 191 1HG GLU 35 2HG GLU 35 -11.162 -2.273 -12.789 192 2HG GLU 35 3HG GLU 35 -11.854 -3.222 -11.475 193 H LYS 36 H LYS 36 -7.930 -0.099 -11.398 194 HA LYS 36 HA LYS 36 -5.389 -0.856 -10.292 195 1HB LYS 36 2HB LYS 36 -5.011 1.588 -10.121 196 2HB LYS 36 3HB LYS 36 -5.509 1.084 -11.731 197 1HG LYS 36 2HG LYS 36 -7.779 1.842 -11.281 198 2HG LYS 36 3HG LYS 36 -7.302 2.322 -9.651 199 1HD LYS 36 2HD LYS 36 -5.718 3.933 -10.586 200 2HD LYS 36 3HD LYS 36 -6.177 3.443 -12.219 201 1HE LYS 36 2HE LYS 36 -8.596 4.038 -11.307 202 2HE LYS 36 3HE LYS 36 -7.663 5.071 -10.225 203 1HZ LYS 36 1HZ LYS 36 -7.004 5.177 -13.065 204 2HZ LYS 36 2HZ LYS 36 -7.017 6.414 -11.911 205 3HZ LYS 36 3HZ LYS 36 -8.470 5.877 -12.593 206 HA PRO 37 HA PRO 37 -6.307 -0.757 -6.000 207 1HB PRO 37 2HB PRO 37 -3.993 0.239 -4.988 208 2HB PRO 37 3HB PRO 37 -4.130 -1.398 -5.641 209 1HG PRO 37 2HG PRO 37 -3.050 1.074 -6.938 210 2HG PRO 37 3HG PRO 37 -2.403 -0.578 -6.965 211 1HD PRO 37 2HD PRO 37 -3.822 0.465 -9.022 212 2HD PRO 37 3HD PRO 37 -3.872 -1.260 -8.605 213 H ASP 38 H ASP 38 -7.940 0.965 -6.380 214 HA ASP 38 HA ASP 38 -7.036 3.572 -5.346 215 1HB ASP 38 2HB ASP 38 -9.141 4.465 -6.421 216 2HB ASP 38 3HB ASP 38 -7.916 3.881 -7.544 217 H ASP 39 H ASP 39 -7.716 1.247 -3.744 218 HA ASP 39 HA ASP 39 -10.332 1.737 -2.631 219 1HB ASP 39 2HB ASP 39 -8.078 -0.127 -1.899 220 2HB ASP 39 3HB ASP 39 -9.529 0.021 -0.912 Start of MODEL 19 1 1H GLY 10 H GLY 10 2.095 1.169 0.575 2 1HA GLY 10 2HA GLY 10 1.055 -0.833 0.000 3 2HA GLY 10 3HA GLY 10 1.079 -0.049 -1.572 4 H SER 11 H SER 11 1.009 -2.688 -1.654 5 HA SER 11 HA SER 11 3.694 -3.389 -2.585 6 1HB SER 11 2HB SER 11 2.915 -4.325 -0.181 7 2HB SER 11 3HB SER 11 2.214 -5.568 -1.217 8 HG SER 11 HG SER 11 4.890 -4.744 -1.546 9 H TRP 12 H TRP 12 1.367 -2.601 -4.027 10 HA TRP 12 HA TRP 12 0.290 -5.052 -5.173 11 1HB TRP 12 2HB TRP 12 -0.310 -2.139 -5.723 12 2HB TRP 12 3HB TRP 12 -1.103 -3.485 -6.537 13 HD1 TRP 12 HD1 TRP 12 -0.591 -2.294 -2.870 14 HE1 TRP 12 HE1 TRP 12 -2.757 -2.793 -1.573 15 HE3 TRP 12 HE3 TRP 12 -3.256 -4.573 -6.590 16 HZ2 TRP 12 HZ2 TRP 12 -5.264 -3.994 -2.062 17 HZ3 TRP 12 HZ3 TRP 12 -5.531 -5.369 -6.093 18 HH2 TRP 12 HH2 TRP 12 -6.512 -5.085 -3.875 19 H THR 13 H THR 13 1.230 -6.024 -6.832 20 HA THR 13 HA THR 13 3.192 -4.560 -8.430 21 HB THR 13 HB THR 13 3.922 -6.732 -9.256 22 HG1 THR 13 HG1 THR 13 1.551 -7.566 -8.012 23 1HG2 THR 13 1HG2 THR 13 3.964 -7.720 -6.633 24 2HG2 THR 13 2HG2 THR 13 3.920 -5.964 -6.480 25 3HG2 THR 13 3HG2 THR 13 5.193 -6.735 -7.425 26 H GLU 14 H GLU 14 3.108 -4.419 -10.668 27 HA GLU 14 HA GLU 14 0.433 -4.812 -11.809 28 1HB GLU 14 2HB GLU 14 1.956 -2.587 -11.829 29 2HB GLU 14 3HB GLU 14 2.498 -3.327 -13.329 30 1HG GLU 14 2HG GLU 14 0.088 -3.495 -14.002 31 2HG GLU 14 3HG GLU 14 -0.299 -2.515 -12.589 32 H HIS 15 H HIS 15 0.210 -6.697 -12.819 33 HA HIS 15 HA HIS 15 2.321 -7.525 -14.692 34 1HB HIS 15 2HB HIS 15 1.328 -8.960 -12.374 35 2HB HIS 15 3HB HIS 15 1.089 -9.888 -13.852 36 HD1 HIS 15 HD1 HIS 15 3.337 -9.944 -11.314 37 HD2 HIS 15 HD2 HIS 15 3.856 -9.371 -15.396 38 HE1 HIS 15 HE1 HIS 15 5.733 -10.553 -11.780 39 H LYS 16 H LYS 16 1.614 -7.885 -16.692 40 HA LYS 16 HA LYS 16 -1.277 -7.938 -17.154 41 1HB LYS 16 2HB LYS 16 -0.643 -7.492 -19.532 42 2HB LYS 16 3HB LYS 16 -0.131 -6.242 -18.405 43 1HG LYS 16 2HG LYS 16 2.096 -6.773 -18.614 44 2HG LYS 16 3HG LYS 16 1.763 -8.431 -19.122 45 1HD LYS 16 2HD LYS 16 2.602 -7.096 -20.985 46 2HD LYS 16 3HD LYS 16 0.936 -7.605 -21.273 47 1HE LYS 16 2HE LYS 16 1.278 -5.270 -21.907 48 2HE LYS 16 3HE LYS 16 0.133 -5.413 -20.574 49 1HZ LYS 16 1HZ LYS 16 2.110 -3.689 -20.539 50 2HZ LYS 16 2HZ LYS 16 2.945 -5.011 -19.895 51 3HZ LYS 16 3HZ LYS 16 1.554 -4.433 -19.125 52 H SER 17 H SER 17 -2.311 -9.592 -18.183 53 HA SER 17 HA SER 17 -1.216 -12.176 -18.013 54 1HB SER 17 2HB SER 17 -3.342 -12.814 -18.366 55 2HB SER 17 3HB SER 17 -3.746 -11.099 -18.428 56 HG SER 17 HG SER 17 -3.693 -11.153 -20.612 57 HA PRO 18 HA PRO 18 0.876 -12.868 -21.805 58 1HB PRO 18 2HB PRO 18 0.064 -15.362 -22.507 59 2HB PRO 18 3HB PRO 18 1.161 -15.053 -21.155 60 1HG PRO 18 2HG PRO 18 -1.789 -15.565 -21.123 61 2HG PRO 18 3HG PRO 18 -0.530 -16.206 -20.050 62 1HD PRO 18 2HD PRO 18 -2.139 -14.147 -19.340 63 2HD PRO 18 3HD PRO 18 -0.461 -14.286 -18.777 64 H ASP 19 H ASP 19 -2.437 -12.473 -21.741 65 HA ASP 19 HA ASP 19 -2.713 -12.763 -24.653 66 1HB ASP 19 2HB ASP 19 -4.367 -13.915 -23.144 67 2HB ASP 19 3HB ASP 19 -4.914 -12.322 -22.629 68 H GLY 20 H GLY 20 -1.986 -10.465 -22.396 69 1HA GLY 20 2HA GLY 20 -1.557 -8.206 -22.965 70 2HA GLY 20 3HA GLY 20 -2.756 -8.327 -24.244 71 H ARG 21 H ARG 21 -2.829 -8.933 -20.731 72 HA ARG 21 HA ARG 21 -4.924 -6.891 -20.494 73 1HB ARG 21 2HB ARG 21 -5.850 -9.273 -20.653 74 2HB ARG 21 3HB ARG 21 -5.122 -9.541 -19.074 75 1HG ARG 21 2HG ARG 21 -7.386 -9.005 -18.691 76 2HG ARG 21 3HG ARG 21 -6.455 -7.572 -18.250 77 1HD ARG 21 2HD ARG 21 -7.213 -6.361 -20.041 78 2HD ARG 21 3HD ARG 21 -7.477 -7.793 -21.034 79 HE ARG 21 HE ARG 21 -9.274 -7.803 -18.866 80 1HH1 ARG 21 2HH1 ARG 21 -8.650 -6.132 -21.856 81 2HH1 ARG 21 1HH1 ARG 21 -10.309 -5.711 -22.119 82 1HH2 ARG 21 2HH2 ARG 21 -11.463 -7.254 -19.201 83 2HH2 ARG 21 1HH2 ARG 21 -11.909 -6.349 -20.608 84 H THR 22 H THR 22 -3.779 -5.430 -19.344 85 HA THR 22 HA THR 22 -1.899 -6.078 -17.328 86 HB THR 22 HB THR 22 -3.341 -3.440 -17.490 87 HG1 THR 22 HG1 THR 22 -1.183 -4.350 -19.120 88 1HG2 THR 22 1HG2 THR 22 -1.887 -3.323 -15.705 89 2HG2 THR 22 2HG2 THR 22 -0.847 -2.764 -17.016 90 3HG2 THR 22 3HG2 THR 22 -0.726 -4.427 -16.441 91 H TYR 23 H TYR 23 -2.361 -6.961 -15.430 92 HA TYR 23 HA TYR 23 -4.766 -6.037 -14.002 93 1HB TYR 23 2HB TYR 23 -5.070 -8.297 -13.109 94 2HB TYR 23 3HB TYR 23 -5.132 -8.308 -14.868 95 HD1 TYR 23 HD1 TYR 23 -2.926 -9.033 -11.972 96 HD2 TYR 23 HD2 TYR 23 -3.665 -9.660 -16.115 97 HE1 TYR 23 HE1 TYR 23 -1.180 -10.764 -12.015 98 HE2 TYR 23 HE2 TYR 23 -1.922 -11.394 -16.169 99 HH TYR 23 HH TYR 23 -0.322 -12.485 -13.234 100 H TYR 24 H TYR 24 -4.608 -5.865 -11.757 101 HA TYR 24 HA TYR 24 -1.859 -5.646 -10.775 102 1HB TYR 24 2HB TYR 24 -4.414 -4.612 -9.530 103 2HB TYR 24 3HB TYR 24 -2.774 -4.242 -9.011 104 HD1 TYR 24 HD1 TYR 24 -1.561 -2.477 -9.997 105 HD2 TYR 24 HD2 TYR 24 -5.180 -3.805 -11.797 106 HE1 TYR 24 HE1 TYR 24 -1.516 -0.535 -11.505 107 HE2 TYR 24 HE2 TYR 24 -5.145 -1.867 -13.311 108 HH TYR 24 HH TYR 24 -2.398 0.272 -13.496 109 H TYR 25 H TYR 25 -1.162 -6.627 -8.886 110 HA TYR 25 HA TYR 25 -2.984 -8.528 -7.597 111 1HB TYR 25 2HB TYR 25 -1.747 -9.821 -9.253 112 2HB TYR 25 3HB TYR 25 -0.222 -9.202 -8.630 113 HD1 TYR 25 HD1 TYR 25 0.562 -9.903 -6.374 114 HD2 TYR 25 HD2 TYR 25 -2.856 -11.650 -8.209 115 HE1 TYR 25 HE1 TYR 25 0.689 -11.789 -4.800 116 HE2 TYR 25 HE2 TYR 25 -2.740 -13.540 -6.639 117 HH TYR 25 HH TYR 25 -1.318 -14.620 -5.160 118 H ASN 26 H ASN 26 -2.992 -8.137 -5.494 119 HA ASN 26 HA ASN 26 -0.884 -6.605 -4.257 120 1HB ASN 26 2HB ASN 26 -3.281 -6.253 -3.698 121 2HB ASN 26 3HB ASN 26 -3.326 -7.866 -2.993 122 1HD2 ASN 26 1HD2 ASN 26 -0.916 -5.275 -2.831 123 2HD2 ASN 26 2HD2 ASN 26 -0.915 -5.151 -1.108 124 H THR 27 H THR 27 0.827 -7.398 -3.235 125 HA THR 27 HA THR 27 1.132 -10.251 -2.923 126 HB THR 27 HB THR 27 3.404 -9.833 -2.367 127 HG1 THR 27 HG1 THR 27 3.951 -8.117 -1.263 128 1HG2 THR 27 1HG2 THR 27 2.257 -8.841 -4.698 129 2HG2 THR 27 2HG2 THR 27 3.965 -9.187 -4.431 130 3HG2 THR 27 3HG2 THR 27 3.342 -7.559 -4.162 131 H GLU 28 H GLU 28 0.039 -7.677 -0.994 132 HA GLU 28 HA GLU 28 0.822 -8.782 1.546 133 1HB GLU 28 2HB GLU 28 0.372 -6.312 1.005 134 2HB GLU 28 3HB GLU 28 -1.333 -6.725 1.114 135 1HG GLU 28 2HG GLU 28 -0.601 -5.807 3.203 136 2HG GLU 28 3HG GLU 28 -0.969 -7.517 3.416 137 H THR 29 H THR 29 -2.128 -8.668 -0.400 138 HA THR 29 HA THR 29 -3.428 -10.481 1.514 139 HB THR 29 HB THR 29 -5.543 -9.868 0.521 140 HG1 THR 29 HG1 THR 29 -5.564 -8.308 -1.201 141 1HG2 THR 29 1HG2 THR 29 -4.821 -8.358 2.230 142 2HG2 THR 29 2HG2 THR 29 -5.519 -7.389 0.931 143 3HG2 THR 29 3HG2 THR 29 -3.768 -7.501 1.106 144 H LYS 30 H LYS 30 -1.751 -10.535 -1.353 145 HA LYS 30 HA LYS 30 -1.426 -12.097 -2.973 146 1HB LYS 30 2HB LYS 30 -2.979 -13.900 -1.107 147 2HB LYS 30 3HB LYS 30 -1.960 -14.425 -2.440 148 1HG LYS 30 2HG LYS 30 -0.853 -12.787 -0.190 149 2HG LYS 30 3HG LYS 30 -1.011 -14.541 -0.067 150 1HD LYS 30 2HD LYS 30 0.386 -14.829 -2.033 151 2HD LYS 30 3HD LYS 30 0.492 -13.079 -2.239 152 1HE LYS 30 2HE LYS 30 1.708 -12.852 -0.186 153 2HE LYS 30 3HE LYS 30 1.447 -14.549 0.213 154 1HZ LYS 30 1HZ LYS 30 3.295 -15.048 -0.867 155 2HZ LYS 30 2HZ LYS 30 3.544 -13.420 -1.252 156 3HZ LYS 30 3HZ LYS 30 2.665 -14.412 -2.303 157 H GLN 31 H GLN 31 -3.652 -10.365 -3.243 158 HA GLN 31 HA GLN 31 -5.588 -12.100 -4.629 159 1HB GLN 31 2HB GLN 31 -5.967 -9.330 -3.480 160 2HB GLN 31 3HB GLN 31 -7.180 -10.201 -4.409 161 1HG GLN 31 2HG GLN 31 -6.077 -10.897 -1.705 162 2HG GLN 31 3HG GLN 31 -7.730 -10.453 -2.124 163 1HE2 GLN 31 1HE2 GLN 31 -9.068 -11.963 -3.092 164 2HE2 GLN 31 2HE2 GLN 31 -8.689 -13.648 -3.129 165 H SER 32 H SER 32 -6.696 -10.911 -6.502 166 HA SER 32 HA SER 32 -4.851 -9.149 -7.938 167 1HB SER 32 2HB SER 32 -4.463 -10.554 -9.681 168 2HB SER 32 3HB SER 32 -4.828 -11.807 -8.495 169 HG SER 32 HG SER 32 -6.583 -12.261 -9.553 170 H THR 33 H THR 33 -5.835 -8.001 -9.705 171 HA THR 33 HA THR 33 -8.691 -8.158 -10.077 172 HB THR 33 HB THR 33 -8.484 -6.797 -7.998 173 HG1 THR 33 HG1 THR 33 -10.293 -6.248 -9.037 174 1HG2 THR 33 1HG2 THR 33 -7.618 -4.495 -8.200 175 2HG2 THR 33 2HG2 THR 33 -7.057 -4.866 -9.831 176 3HG2 THR 33 3HG2 THR 33 -6.359 -5.704 -8.445 177 H TRP 34 H TRP 34 -9.436 -6.355 -11.589 178 HA TRP 34 HA TRP 34 -7.391 -6.040 -13.665 179 1HB TRP 34 2HB TRP 34 -10.381 -5.643 -13.894 180 2HB TRP 34 3HB TRP 34 -9.220 -5.717 -15.217 181 HD1 TRP 34 HD1 TRP 34 -11.522 -7.857 -13.259 182 HE1 TRP 34 HE1 TRP 34 -11.154 -10.337 -13.838 183 HE3 TRP 34 HE3 TRP 34 -7.114 -7.448 -15.816 184 HZ2 TRP 34 HZ2 TRP 34 -9.247 -11.913 -15.198 185 HZ3 TRP 34 HZ3 TRP 34 -6.083 -9.490 -16.723 186 HH2 TRP 34 HH2 TRP 34 -7.129 -11.675 -16.419 187 H GLU 35 H GLU 35 -9.162 -4.262 -11.346 188 HA GLU 35 HA GLU 35 -8.633 -1.723 -12.716 189 1HB GLU 35 2HB GLU 35 -10.176 -0.708 -11.179 190 2HB GLU 35 3HB GLU 35 -10.923 -2.160 -11.829 191 1HG GLU 35 2HG GLU 35 -10.247 -3.363 -9.766 192 2HG GLU 35 3HG GLU 35 -9.666 -1.831 -9.116 193 H LYS 36 H LYS 36 -7.398 -0.106 -11.796 194 HA LYS 36 HA LYS 36 -5.142 -0.802 -10.365 195 1HB LYS 36 2HB LYS 36 -4.839 1.619 -9.960 196 2HB LYS 36 3HB LYS 36 -5.264 1.262 -11.629 197 1HG LYS 36 2HG LYS 36 -7.551 1.945 -11.226 198 2HG LYS 36 3HG LYS 36 -7.189 2.223 -9.521 199 1HD LYS 36 2HD LYS 36 -7.021 4.357 -10.368 200 2HD LYS 36 3HD LYS 36 -5.345 3.814 -10.479 201 1HE LYS 36 2HE LYS 36 -5.432 3.583 -12.770 202 2HE LYS 36 3HE LYS 36 -7.181 3.363 -12.787 203 1HZ LYS 36 1HZ LYS 36 -6.008 5.946 -11.985 204 2HZ LYS 36 2HZ LYS 36 -7.551 5.623 -12.597 205 3HZ LYS 36 3HZ LYS 36 -6.206 5.568 -13.622 206 HA PRO 37 HA PRO 37 -6.273 -1.129 -6.135 207 1HB PRO 37 2HB PRO 37 -4.042 -0.176 -4.917 208 2HB PRO 37 3HB PRO 37 -4.099 -1.748 -5.724 209 1HG PRO 37 2HG PRO 37 -3.029 0.861 -6.731 210 2HG PRO 37 3HG PRO 37 -2.334 -0.765 -6.876 211 1HD PRO 37 2HD PRO 37 -3.680 0.431 -8.899 212 2HD PRO 37 3HD PRO 37 -3.699 -1.327 -8.646 213 H ASP 38 H ASP 38 -7.931 0.591 -6.460 214 HA ASP 38 HA ASP 38 -7.226 2.974 -4.884 215 1HB ASP 38 2HB ASP 38 -8.734 2.820 -7.479 216 2HB ASP 38 3HB ASP 38 -9.025 4.139 -6.349 217 H ASP 39 H ASP 39 -8.497 0.393 -4.191 218 HA ASP 39 HA ASP 39 -11.100 1.425 -3.271 219 1HB ASP 39 2HB ASP 39 -10.961 -0.617 -4.915 220 2HB ASP 39 3HB ASP 39 -10.536 -1.511 -3.457 Start of MODEL 20 1 1H GLY 10 H GLY 10 2.700 1.154 -1.615 2 1HA GLY 10 2HA GLY 10 1.909 -0.288 0.264 3 2HA GLY 10 3HA GLY 10 0.631 -0.805 -0.827 4 H SER 11 H SER 11 0.965 -2.800 -1.518 5 HA SER 11 HA SER 11 3.649 -3.537 -2.446 6 1HB SER 11 2HB SER 11 1.934 -5.379 -0.769 7 2HB SER 11 3HB SER 11 3.580 -5.670 -1.331 8 HG SER 11 HG SER 11 4.157 -3.774 -0.048 9 H TRP 12 H TRP 12 1.257 -2.749 -3.870 10 HA TRP 12 HA TRP 12 0.255 -5.220 -5.045 11 1HB TRP 12 2HB TRP 12 -0.462 -2.324 -5.546 12 2HB TRP 12 3HB TRP 12 -1.221 -3.693 -6.355 13 HD1 TRP 12 HD1 TRP 12 -0.682 -2.507 -2.690 14 HE1 TRP 12 HE1 TRP 12 -2.803 -3.097 -1.355 15 HE3 TRP 12 HE3 TRP 12 -3.331 -4.864 -6.373 16 HZ2 TRP 12 HZ2 TRP 12 -5.271 -4.391 -1.804 17 HZ3 TRP 12 HZ3 TRP 12 -5.563 -5.750 -5.838 18 HH2 TRP 12 HH2 TRP 12 -6.511 -5.518 -3.600 19 H THR 13 H THR 13 1.242 -6.129 -6.711 20 HA THR 13 HA THR 13 3.123 -4.564 -8.305 21 HB THR 13 HB THR 13 3.883 -6.709 -9.209 22 HG1 THR 13 HG1 THR 13 2.031 -7.960 -7.449 23 1HG2 THR 13 1HG2 THR 13 3.747 -6.240 -6.277 24 2HG2 THR 13 2HG2 THR 13 5.147 -6.309 -7.348 25 3HG2 THR 13 3HG2 THR 13 4.358 -7.798 -6.830 26 H GLU 14 H GLU 14 2.942 -4.231 -10.485 27 HA GLU 14 HA GLU 14 0.296 -4.742 -11.629 28 1HB GLU 14 2HB GLU 14 1.771 -2.463 -11.587 29 2HB GLU 14 3HB GLU 14 2.240 -3.121 -13.148 30 1HG GLU 14 2HG GLU 14 -0.055 -3.181 -13.868 31 2HG GLU 14 3HG GLU 14 -0.602 -2.665 -12.273 32 H HIS 15 H HIS 15 0.125 -6.570 -12.742 33 HA HIS 15 HA HIS 15 2.244 -7.234 -14.667 34 1HB HIS 15 2HB HIS 15 1.371 -8.806 -12.388 35 2HB HIS 15 3HB HIS 15 1.152 -9.687 -13.898 36 HD1 HIS 15 HD1 HIS 15 3.642 -8.908 -11.404 37 HD2 HIS 15 HD2 HIS 15 3.666 -9.785 -15.465 38 HE1 HIS 15 HE1 HIS 15 6.008 -9.578 -11.934 39 H LYS 16 H LYS 16 1.517 -7.583 -16.664 40 HA LYS 16 HA LYS 16 -1.379 -7.746 -17.072 41 1HB LYS 16 2HB LYS 16 -0.819 -7.196 -19.444 42 2HB LYS 16 3HB LYS 16 -0.327 -5.964 -18.290 43 1HG LYS 16 2HG LYS 16 1.913 -6.400 -18.569 44 2HG LYS 16 3HG LYS 16 1.631 -8.053 -19.121 45 1HD LYS 16 2HD LYS 16 2.372 -6.632 -20.961 46 2HD LYS 16 3HD LYS 16 0.720 -7.195 -21.225 47 1HE LYS 16 2HE LYS 16 0.995 -4.817 -21.786 48 2HE LYS 16 3HE LYS 16 -0.157 -5.063 -20.474 49 1HZ LYS 16 1HZ LYS 16 2.493 -4.694 -19.494 50 2HZ LYS 16 2HZ LYS 16 1.080 -3.847 -19.112 51 3HZ LYS 16 3HZ LYS 16 2.007 -3.385 -20.449 52 H SER 17 H SER 17 -2.360 -9.410 -18.140 53 HA SER 17 HA SER 17 -1.148 -11.947 -18.069 54 1HB SER 17 2HB SER 17 -3.271 -12.624 -18.322 55 2HB SER 17 3HB SER 17 -3.738 -10.931 -18.479 56 HG SER 17 HG SER 17 -4.416 -11.752 -20.347 57 HA PRO 18 HA PRO 18 0.889 -12.428 -21.923 58 1HB PRO 18 2HB PRO 18 0.176 -14.934 -22.684 59 2HB PRO 18 3HB PRO 18 1.287 -14.616 -21.346 60 1HG PRO 18 2HG PRO 18 -1.635 -15.264 -21.269 61 2HG PRO 18 3HG PRO 18 -0.325 -15.878 -20.243 62 1HD PRO 18 2HD PRO 18 -2.010 -13.918 -19.437 63 2HD PRO 18 3HD PRO 18 -0.315 -13.996 -18.913 64 H ASP 19 H ASP 19 -2.436 -12.188 -21.779 65 HA ASP 19 HA ASP 19 -2.767 -12.411 -24.689 66 1HB ASP 19 2HB ASP 19 -4.340 -13.663 -23.173 67 2HB ASP 19 3HB ASP 19 -4.934 -12.105 -22.605 68 H GLY 20 H GLY 20 -2.084 -10.142 -22.387 69 1HA GLY 20 2HA GLY 20 -1.755 -7.854 -22.907 70 2HA GLY 20 3HA GLY 20 -2.972 -7.991 -24.167 71 H ARG 21 H ARG 21 -2.952 -8.681 -20.669 72 HA ARG 21 HA ARG 21 -5.114 -6.725 -20.340 73 1HB ARG 21 2HB ARG 21 -5.968 -9.127 -20.561 74 2HB ARG 21 3HB ARG 21 -5.204 -9.424 -19.005 75 1HG ARG 21 2HG ARG 21 -6.649 -7.947 -17.891 76 2HG ARG 21 3HG ARG 21 -7.201 -7.221 -19.401 77 1HD ARG 21 2HD ARG 21 -7.633 -10.122 -19.164 78 2HD ARG 21 3HD ARG 21 -8.552 -9.130 -18.032 79 HE ARG 21 HE ARG 21 -9.030 -9.412 -20.815 80 1HH1 ARG 21 2HH1 ARG 21 -9.143 -7.106 -18.210 81 2HH1 ARG 21 1HH1 ARG 21 -10.387 -6.146 -18.940 82 1HH2 ARG 21 2HH2 ARG 21 -10.668 -8.157 -21.787 83 2HH2 ARG 21 1HH2 ARG 21 -11.255 -6.746 -20.974 84 H THR 22 H THR 22 -4.024 -5.261 -19.148 85 HA THR 22 HA THR 22 -2.081 -5.905 -17.189 86 HB THR 22 HB THR 22 -3.631 -3.322 -17.253 87 HG1 THR 22 HG1 THR 22 -1.488 -4.156 -18.939 88 1HG2 THR 22 1HG2 THR 22 -0.816 -3.045 -16.899 89 2HG2 THR 22 2HG2 THR 22 -1.402 -4.281 -15.786 90 3HG2 THR 22 3HG2 THR 22 -2.111 -2.667 -15.764 91 H TYR 23 H TYR 23 -2.471 -6.860 -15.310 92 HA TYR 23 HA TYR 23 -4.890 -6.089 -13.818 93 1HB TYR 23 2HB TYR 23 -5.083 -8.385 -12.994 94 2HB TYR 23 3HB TYR 23 -5.168 -8.347 -14.752 95 HD1 TYR 23 HD1 TYR 23 -3.659 -9.594 -16.058 96 HD2 TYR 23 HD2 TYR 23 -2.897 -9.063 -11.906 97 HE1 TYR 23 HE1 TYR 23 -1.842 -11.246 -16.186 98 HE2 TYR 23 HE2 TYR 23 -1.077 -10.713 -12.023 99 HH TYR 23 HH TYR 23 -0.530 -12.646 -14.866 100 H TYR 24 H TYR 24 -4.707 -6.005 -11.564 101 HA TYR 24 HA TYR 24 -1.951 -5.695 -10.617 102 1HB TYR 24 2HB TYR 24 -4.524 -4.790 -9.310 103 2HB TYR 24 3HB TYR 24 -2.891 -4.374 -8.804 104 HD1 TYR 24 HD1 TYR 24 -5.360 -3.944 -11.534 105 HD2 TYR 24 HD2 TYR 24 -1.749 -2.548 -9.770 106 HE1 TYR 24 HE1 TYR 24 -5.419 -1.966 -12.994 107 HE2 TYR 24 HE2 TYR 24 -1.799 -0.565 -11.223 108 HH TYR 24 HH TYR 24 -3.098 0.655 -12.630 109 H TYR 25 H TYR 25 -1.179 -6.727 -8.797 110 HA TYR 25 HA TYR 25 -2.918 -8.728 -7.536 111 1HB TYR 25 2HB TYR 25 -1.640 -9.921 -9.232 112 2HB TYR 25 3HB TYR 25 -0.138 -9.247 -8.610 113 HD1 TYR 25 HD1 TYR 25 -2.657 -11.822 -8.216 114 HD2 TYR 25 HD2 TYR 25 0.710 -9.971 -6.387 115 HE1 TYR 25 HE1 TYR 25 -2.432 -13.744 -6.699 116 HE2 TYR 25 HE2 TYR 25 0.945 -11.889 -4.865 117 HH TYR 25 HH TYR 25 -0.593 -14.820 -5.350 118 H ASN 26 H ASN 26 -2.941 -8.368 -5.428 119 HA ASN 26 HA ASN 26 -0.897 -6.789 -4.154 120 1HB ASN 26 2HB ASN 26 -3.298 -6.567 -3.565 121 2HB ASN 26 3HB ASN 26 -3.270 -8.207 -2.924 122 1HD2 ASN 26 1HD2 ASN 26 -0.967 -5.528 -2.668 123 2HD2 ASN 26 2HD2 ASN 26 -0.965 -5.469 -0.941 124 H THR 27 H THR 27 0.864 -7.529 -3.179 125 HA THR 27 HA THR 27 1.307 -10.372 -2.948 126 HB THR 27 HB THR 27 3.564 -9.860 -2.404 127 HG1 THR 27 HG1 THR 27 2.468 -7.413 -1.596 128 1HG2 THR 27 1HG2 THR 27 2.535 -7.809 -4.368 129 2HG2 THR 27 2HG2 THR 27 3.028 -9.461 -4.737 130 3HG2 THR 27 3HG2 THR 27 4.223 -8.285 -4.191 131 H GLU 28 H GLU 28 0.081 -7.928 -0.947 132 HA GLU 28 HA GLU 28 0.960 -9.050 1.557 133 1HB GLU 28 2HB GLU 28 0.383 -6.595 1.097 134 2HB GLU 28 3HB GLU 28 -1.300 -7.094 1.192 135 1HG GLU 28 2HG GLU 28 -0.643 -6.215 3.310 136 2HG GLU 28 3HG GLU 28 -0.870 -7.956 3.471 137 H THR 29 H THR 29 -1.998 -9.059 -0.373 138 HA THR 29 HA THR 29 -3.179 -10.993 1.503 139 HB THR 29 HB THR 29 -5.341 -10.458 0.558 140 HG1 THR 29 HG1 THR 29 -4.059 -8.552 -1.118 141 1HG2 THR 29 1HG2 THR 29 -5.472 -8.033 1.118 142 2HG2 THR 29 2HG2 THR 29 -3.711 -7.999 1.200 143 3HG2 THR 29 3HG2 THR 29 -4.628 -8.993 2.331 144 H LYS 30 H LYS 30 -1.529 -10.872 -1.365 145 HA LYS 30 HA LYS 30 -1.154 -12.352 -3.051 146 1HB LYS 30 2HB LYS 30 -2.584 -14.274 -1.205 147 2HB LYS 30 3HB LYS 30 -1.617 -14.729 -2.601 148 1HG LYS 30 2HG LYS 30 -0.383 -13.081 -0.446 149 2HG LYS 30 3HG LYS 30 -0.604 -14.815 -0.202 150 1HD LYS 30 2HD LYS 30 0.603 -15.200 -2.351 151 2HD LYS 30 3HD LYS 30 0.938 -13.468 -2.417 152 1HE LYS 30 2HE LYS 30 1.697 -15.147 -0.045 153 2HE LYS 30 3HE LYS 30 2.750 -14.994 -1.451 154 1HZ LYS 30 1HZ LYS 30 3.342 -13.392 0.240 155 2HZ LYS 30 2HZ LYS 30 1.773 -12.760 0.246 156 3HZ LYS 30 3HZ LYS 30 2.748 -12.589 -1.126 157 H GLN 31 H GLN 31 -3.472 -10.720 -3.222 158 HA GLN 31 HA GLN 31 -5.338 -12.490 -4.656 159 1HB GLN 31 2HB GLN 31 -5.825 -9.783 -3.403 160 2HB GLN 31 3HB GLN 31 -7.008 -10.667 -4.358 161 1HG GLN 31 2HG GLN 31 -5.768 -11.957 -1.971 162 2HG GLN 31 3HG GLN 31 -7.068 -10.783 -1.765 163 1HE2 GLN 31 1HE2 GLN 31 -7.903 -12.910 -0.799 164 2HE2 GLN 31 2HE2 GLN 31 -8.852 -13.890 -1.860 165 H SER 32 H SER 32 -6.519 -11.291 -6.477 166 HA SER 32 HA SER 32 -4.769 -9.401 -7.870 167 1HB SER 32 2HB SER 32 -4.359 -10.722 -9.678 168 2HB SER 32 3HB SER 32 -4.622 -12.026 -8.520 169 HG SER 32 HG SER 32 -6.120 -11.281 -10.673 170 H THR 33 H THR 33 -5.821 -8.228 -9.575 171 HA THR 33 HA THR 33 -8.675 -8.496 -9.919 172 HB THR 33 HB THR 33 -8.494 -7.192 -7.803 173 HG1 THR 33 HG1 THR 33 -9.752 -5.318 -8.779 174 1HG2 THR 33 1HG2 THR 33 -7.161 -5.155 -9.591 175 2HG2 THR 33 2HG2 THR 33 -6.420 -6.003 -8.234 176 3HG2 THR 33 3HG2 THR 33 -7.723 -4.850 -7.948 177 H TRP 34 H TRP 34 -9.513 -6.666 -11.357 178 HA TRP 34 HA TRP 34 -7.512 -6.207 -13.451 179 1HB TRP 34 2HB TRP 34 -10.516 -5.918 -13.643 180 2HB TRP 34 3HB TRP 34 -9.364 -5.933 -14.975 181 HD1 TRP 34 HD1 TRP 34 -11.591 -8.175 -13.051 182 HE1 TRP 34 HE1 TRP 34 -11.146 -10.634 -13.669 183 HE3 TRP 34 HE3 TRP 34 -7.197 -7.589 -15.599 184 HZ2 TRP 34 HZ2 TRP 34 -9.191 -12.127 -15.053 185 HZ3 TRP 34 HZ3 TRP 34 -6.104 -9.584 -16.538 186 HH2 TRP 34 HH2 TRP 34 -7.082 -11.805 -16.269 187 H GLU 35 H GLU 35 -9.313 -4.581 -11.049 188 HA GLU 35 HA GLU 35 -9.035 -1.983 -12.357 189 1HB GLU 35 2HB GLU 35 -10.334 -2.730 -9.731 190 2HB GLU 35 3HB GLU 35 -10.341 -1.124 -10.448 191 1HG GLU 35 2HG GLU 35 -11.566 -2.024 -12.385 192 2HG GLU 35 3HG GLU 35 -11.615 -3.598 -11.593 193 H LYS 36 H LYS 36 -8.027 -0.198 -11.265 194 HA LYS 36 HA LYS 36 -5.499 -0.855 -10.170 195 1HB LYS 36 2HB LYS 36 -5.261 1.592 -9.838 196 2HB LYS 36 3HB LYS 36 -5.778 1.167 -11.464 197 1HG LYS 36 2HG LYS 36 -8.110 1.692 -10.806 198 2HG LYS 36 3HG LYS 36 -7.502 2.243 -9.243 199 1HD LYS 36 2HD LYS 36 -7.545 4.237 -10.357 200 2HD LYS 36 3HD LYS 36 -5.918 3.702 -10.784 201 1HE LYS 36 2HE LYS 36 -7.157 2.579 -12.804 202 2HE LYS 36 3HE LYS 36 -8.395 3.782 -12.446 203 1HZ LYS 36 1HZ LYS 36 -6.274 4.211 -14.027 204 2HZ LYS 36 2HZ LYS 36 -5.700 4.819 -12.557 205 3HZ LYS 36 3HZ LYS 36 -7.126 5.434 -13.228 206 HA PRO 37 HA PRO 37 -6.266 -1.103 -5.855 207 1HB PRO 37 2HB PRO 37 -3.977 -0.043 -4.851 208 2HB PRO 37 3HB PRO 37 -4.044 -1.637 -5.611 209 1HG PRO 37 2HG PRO 37 -3.154 0.977 -6.767 210 2HG PRO 37 3HG PRO 37 -2.417 -0.627 -6.930 211 1HD PRO 37 2HD PRO 37 -3.966 0.467 -8.862 212 2HD PRO 37 3HD PRO 37 -3.902 -1.283 -8.566 213 H ASP 38 H ASP 38 -5.694 1.945 -7.361 214 HA ASP 38 HA ASP 38 -6.515 3.407 -4.955 215 1HB ASP 38 2HB ASP 38 -4.490 4.052 -6.470 216 2HB ASP 38 3HB ASP 38 -5.724 4.722 -7.534 217 H ASP 39 H ASP 39 -8.504 1.871 -6.077 218 HA ASP 39 HA ASP 39 -10.096 3.339 -7.935 219 1HB ASP 39 2HB ASP 39 -10.154 0.820 -7.497 220 2HB ASP 39 3HB ASP 39 -11.107 1.200 -6.065
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