NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
610163 | 2n92 | 25877 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 1.807 0.001 0.856 2 HA SER 1 HA SER 1 2.900 0.712 -1.134 3 HB2 SER 1 HB2 SER 1 2.881 -1.496 -2.560 4 HB3 SER 1 HB3 SER 1 3.605 -1.492 -0.952 5 HG SER 1 HG SER 1 2.284 -3.186 -0.845 6 H TRP 2 H TRP 2 0.167 -1.268 -2.283 7 HA TRP 2 HA TRP 2 -1.325 -0.970 -3.972 8 HB2 TRP 2 HB2 TRP 2 -1.243 1.456 -2.590 9 HB3 TRP 2 HB3 TRP 2 -1.115 1.908 -4.288 10 HD1 TRP 2 HD1 TRP 2 -3.374 -0.533 -2.260 11 HE1 TRP 2 HE1 TRP 2 -5.785 -0.263 -3.120 12 HE3 TRP 2 HE3 TRP 2 -2.557 2.992 -5.872 13 HZ2 TRP 2 HZ2 TRP 2 -7.158 1.245 -5.072 14 HZ3 TRP 2 HZ3 TRP 2 -4.472 3.794 -7.191 15 HH2 TRP 2 HH2 TRP 2 -6.725 2.937 -6.798 16 H LEU 3 H LEU 3 -1.574 0.237 -6.208 17 HA LEU 3 HA LEU 3 -0.774 0.470 -8.323 18 HB2 LEU 3 HB2 LEU 3 1.800 1.369 -7.054 19 HB3 LEU 3 HB3 LEU 3 1.181 1.781 -8.652 20 HG LEU 3 HG LEU 3 -0.724 2.672 -6.757 21 HD11 LEU 3 HD11 LEU 3 0.978 2.580 -5.048 22 HD12 LEU 3 HD12 LEU 3 0.651 4.261 -5.469 23 HD13 LEU 3 HD13 LEU 3 2.103 3.467 -6.077 24 HD21 LEU 3 HD21 LEU 3 -0.219 4.840 -7.711 25 HD22 LEU 3 HD22 LEU 3 -0.257 3.617 -8.981 26 HD23 LEU 3 HD23 LEU 3 1.290 4.221 -8.384 27 H SER 4 H SER 4 1.518 0.017 -9.612 28 HA SER 4 HA SER 4 2.831 -1.627 -10.476 29 HB2 SER 4 HB2 SER 4 3.036 -2.775 -7.695 30 HB3 SER 4 HB3 SER 4 4.229 -2.834 -8.992 31 HG SER 4 HG SER 4 3.391 -0.353 -7.971 32 H LYS 5 H LYS 5 0.121 -2.058 -10.699 33 HA LYS 5 HA LYS 5 -0.714 -4.611 -9.802 34 HB2 LYS 5 HB2 LYS 5 -1.818 -2.454 -11.303 35 HB3 LYS 5 HB3 LYS 5 -2.055 -3.933 -12.224 36 HG2 LYS 5 HG2 LYS 5 -3.964 -3.849 -10.947 37 HG3 LYS 5 HG3 LYS 5 -2.924 -4.891 -9.974 38 HD2 LYS 5 HD2 LYS 5 -2.392 -2.211 -9.225 39 HD3 LYS 5 HD3 LYS 5 -4.145 -2.415 -9.262 40 HE2 LYS 5 HE2 LYS 5 -4.144 -3.817 -7.498 41 HE3 LYS 5 HE3 LYS 5 -2.658 -4.618 -8.006 42 HZ1 LYS 5 HZ1 LYS 5 -1.416 -3.283 -6.735 43 HZ2 LYS 5 HZ2 LYS 5 -2.855 -2.949 -5.912 44 HZ3 LYS 5 HZ3 LYS 5 -2.305 -1.895 -7.115 45 H THR 6 H THR 6 1.175 -3.533 -12.501 46 HA THR 6 HA THR 6 1.637 -6.310 -13.267 47 HB THR 6 HB THR 6 1.484 -5.611 -15.722 48 HG1 THR 6 HG1 THR 6 1.263 -3.398 -15.532 49 HG21 THR 6 HG21 THR 6 -1.052 -5.732 -14.084 50 HG22 THR 6 HG22 THR 6 -0.130 -7.117 -14.671 51 HG23 THR 6 HG23 THR 6 -0.930 -6.040 -15.816 52 H ALA 7 H ALA 7 3.762 -6.583 -13.259 53 HA ALA 7 HA ALA 7 5.493 -4.706 -14.622 54 HB1 ALA 7 HB1 ALA 7 6.997 -4.843 -12.426 55 HB2 ALA 7 HB2 ALA 7 5.819 -3.557 -12.693 56 HB3 ALA 7 HB3 ALA 7 5.405 -4.934 -11.671 57 H LYS 8 H LYS 8 4.607 -7.606 -14.621 58 HA LYS 8 HA LYS 8 6.643 -9.322 -13.840 59 HB2 LYS 8 HB2 LYS 8 4.351 -9.924 -14.753 60 HB3 LYS 8 HB3 LYS 8 5.016 -9.660 -16.360 61 HG2 LYS 8 HG2 LYS 8 6.786 -11.371 -15.751 62 HG3 LYS 8 HG3 LYS 8 5.778 -11.759 -14.354 63 HD2 LYS 8 HD2 LYS 8 4.161 -12.736 -15.623 64 HD3 LYS 8 HD3 LYS 8 4.446 -11.671 -17.001 65 HE2 LYS 8 HE2 LYS 8 6.703 -12.945 -17.181 66 HE3 LYS 8 HE3 LYS 8 5.895 -14.163 -16.197 67 HZ1 LYS 8 HZ1 LYS 8 5.533 -14.787 -18.411 68 HZ2 LYS 8 HZ2 LYS 8 5.149 -13.214 -18.899 69 HZ3 LYS 8 HZ3 LYS 8 4.074 -14.082 -17.924 70 H LYS 9 H LYS 9 6.533 -7.073 -16.460 71 HA LYS 9 HA LYS 9 9.275 -7.193 -16.974 72 HB2 LYS 9 HB2 LYS 9 9.164 -8.184 -19.301 73 HB3 LYS 9 HB3 LYS 9 9.008 -9.328 -17.974 74 HG2 LYS 9 HG2 LYS 9 7.097 -10.052 -18.813 75 HG3 LYS 9 HG3 LYS 9 6.407 -8.433 -18.670 76 HD2 LYS 9 HD2 LYS 9 8.224 -8.798 -20.948 77 HD3 LYS 9 HD3 LYS 9 6.754 -9.772 -21.014 78 HE2 LYS 9 HE2 LYS 9 6.200 -7.058 -20.179 79 HE3 LYS 9 HE3 LYS 9 7.028 -7.099 -21.735 80 HZ1 LYS 9 HZ1 LYS 9 5.341 -8.632 -22.546 81 HZ2 LYS 9 HZ2 LYS 9 4.637 -7.188 -22.017 82 HZ3 LYS 9 HZ3 LYS 9 4.543 -8.576 -21.055 83 H LEU 10 H LEU 10 7.368 -5.198 -16.594 84 HA LEU 10 HA LEU 10 7.707 -3.692 -19.075 85 HB2 LEU 10 HB2 LEU 10 5.330 -2.762 -18.593 86 HB3 LEU 10 HB3 LEU 10 5.524 -4.277 -19.472 87 HG LEU 10 HG LEU 10 5.273 -4.718 -16.618 88 HD11 LEU 10 HD11 LEU 10 2.778 -4.155 -16.677 89 HD12 LEU 10 HD12 LEU 10 3.185 -3.079 -18.013 90 HD13 LEU 10 HD13 LEU 10 3.914 -2.830 -16.427 91 HD21 LEU 10 HD21 LEU 10 4.945 -6.229 -18.735 92 HD22 LEU 10 HD22 LEU 10 3.300 -5.597 -18.672 93 HD23 LEU 10 HD23 LEU 10 3.961 -6.476 -17.292 94 H GLU 11 H GLU 11 6.760 -3.659 -15.665 95 HA GLU 11 HA GLU 11 7.009 -2.105 -14.019 96 HB2 GLU 11 HB2 GLU 11 9.440 -2.496 -15.037 97 HB3 GLU 11 HB3 GLU 11 9.259 -0.802 -15.472 98 HG2 GLU 11 HG2 GLU 11 8.745 -0.318 -13.082 99 HG3 GLU 11 HG3 GLU 11 9.145 -1.994 -12.714 100 H ASN 12 H ASN 12 5.119 -0.943 -14.333 101 HA ASN 12 HA ASN 12 5.355 1.508 -15.946 102 HB2 ASN 12 HB2 ASN 12 2.905 1.521 -16.044 103 HB3 ASN 12 HB3 ASN 12 3.548 0.003 -16.663 104 HD21 ASN 12 HD21 ASN 12 0.989 0.978 -15.246 105 HD22 ASN 12 HD22 ASN 12 0.714 -0.246 -14.058 106 H SER 13 H SER 13 4.459 0.202 -12.812 107 HA SER 13 HA SER 13 4.477 2.945 -11.739 108 HB2 SER 13 HB2 SER 13 2.352 1.006 -11.647 109 HB3 SER 13 HB3 SER 13 2.913 1.350 -10.011 110 HG SER 13 HG SER 13 2.291 3.374 -11.892 111 H ALA 14 H ALA 14 6.086 0.122 -11.829 112 HA ALA 14 HA ALA 14 6.666 -0.359 -9.087 113 HB1 ALA 14 HB1 ALA 14 8.819 -1.237 -10.718 114 HB2 ALA 14 HB2 ALA 14 7.549 -2.197 -9.958 115 HB3 ALA 14 HB3 ALA 14 7.311 -1.545 -11.580 116 H LYS 15 H LYS 15 7.712 1.999 -11.324 117 HA LYS 15 HA LYS 15 10.243 2.528 -10.033 118 HB2 LYS 15 HB2 LYS 15 10.406 4.404 -11.606 119 HB3 LYS 15 HB3 LYS 15 10.011 2.904 -12.435 120 HG2 LYS 15 HG2 LYS 15 8.558 4.333 -13.455 121 HG3 LYS 15 HG3 LYS 15 7.547 3.759 -12.127 122 HD2 LYS 15 HD2 LYS 15 8.994 5.946 -11.120 123 HD3 LYS 15 HD3 LYS 15 8.428 6.428 -12.721 124 HE2 LYS 15 HE2 LYS 15 6.398 5.033 -11.167 125 HE3 LYS 15 HE3 LYS 15 6.966 6.507 -10.385 126 HZ1 LYS 15 HZ1 LYS 15 6.292 6.606 -13.236 127 HZ2 LYS 15 HZ2 LYS 15 6.171 7.814 -12.059 128 HZ3 LYS 15 HZ3 LYS 15 5.027 6.569 -12.113 129 H LYS 16 H LYS 16 6.993 3.381 -9.542 130 HA LYS 16 HA LYS 16 7.517 5.930 -8.288 131 HB2 LYS 16 HB2 LYS 16 5.332 4.991 -9.493 132 HB3 LYS 16 HB3 LYS 16 4.952 4.481 -7.853 133 HG2 LYS 16 HG2 LYS 16 4.194 6.514 -7.432 134 HG3 LYS 16 HG3 LYS 16 5.822 7.151 -7.680 135 HD2 LYS 16 HD2 LYS 16 4.592 6.627 -10.216 136 HD3 LYS 16 HD3 LYS 16 3.520 7.626 -9.232 137 HE2 LYS 16 HE2 LYS 16 6.441 8.251 -9.567 138 HE3 LYS 16 HE3 LYS 16 5.220 8.833 -10.699 139 HZ1 LYS 16 HZ1 LYS 16 4.654 10.436 -9.298 140 HZ2 LYS 16 HZ2 LYS 16 5.973 10.010 -8.328 141 HZ3 LYS 16 HZ3 LYS 16 4.446 9.350 -8.017 142 H ARG 17 H ARG 17 6.895 2.614 -7.284 143 HA ARG 17 HA ARG 17 6.637 3.172 -4.512 144 HB2 ARG 17 HB2 ARG 17 6.618 0.846 -4.186 145 HB3 ARG 17 HB3 ARG 17 5.897 1.072 -5.774 146 HG2 ARG 17 HG2 ARG 17 8.397 0.730 -6.561 147 HG3 ARG 17 HG3 ARG 17 8.502 -0.128 -5.022 148 HD2 ARG 17 HD2 ARG 17 6.410 -0.665 -7.124 149 HD3 ARG 17 HD3 ARG 17 7.915 -1.570 -6.974 150 HE ARG 17 HE ARG 17 6.492 -1.540 -4.518 151 HH11 ARG 17 HH11 ARG 17 6.534 -3.008 -7.674 152 HH12 ARG 17 HH12 ARG 17 5.751 -4.463 -7.152 153 HH21 ARG 17 HH21 ARG 17 5.461 -3.450 -3.817 154 HH22 ARG 17 HH22 ARG 17 5.141 -4.713 -4.958 155 H ILE 18 H ILE 18 9.348 2.598 -6.629 156 HA ILE 18 HA ILE 18 11.224 2.246 -4.456 157 HB ILE 18 HB ILE 18 12.920 2.017 -6.117 158 HG12 ILE 18 HG12 ILE 18 10.878 3.062 -8.092 159 HG13 ILE 18 HG13 ILE 18 12.317 3.911 -7.540 160 HG21 ILE 18 HG21 ILE 18 12.190 -0.021 -6.598 161 HG22 ILE 18 HG22 ILE 18 10.570 0.469 -6.105 162 HG23 ILE 18 HG23 ILE 18 11.064 0.629 -7.790 163 HD11 ILE 18 HD11 ILE 18 12.958 3.102 -9.598 164 HD12 ILE 18 HD12 ILE 18 13.584 1.872 -8.499 165 HD13 ILE 18 HD13 ILE 18 12.089 1.582 -9.388 166 H SER 19 H SER 19 10.017 4.828 -6.430 167 HA SER 19 HA SER 19 12.132 6.665 -6.113 168 HB2 SER 19 HB2 SER 19 10.821 8.045 -7.330 169 HB3 SER 19 HB3 SER 19 9.756 6.649 -7.493 170 HG SER 19 HG SER 19 9.505 8.908 -5.870 171 H GLU 20 H GLU 20 9.889 5.443 -3.890 172 HA GLU 20 HA GLU 20 9.878 7.769 -2.164 173 HB2 GLU 20 HB2 GLU 20 8.150 5.661 -2.503 174 HB3 GLU 20 HB3 GLU 20 8.980 5.223 -1.016 175 HG2 GLU 20 HG2 GLU 20 8.359 7.916 -0.715 176 HG3 GLU 20 HG3 GLU 20 6.936 7.200 -1.469 177 H GLY 21 H GLY 21 11.238 4.486 -2.117 178 HA2 GLY 21 HA2 GLY 21 12.654 4.970 0.352 179 HA3 GLY 21 HA3 GLY 21 12.759 3.529 -0.648 180 H ILE 22 H ILE 22 13.428 4.955 -3.077 181 HA ILE 22 HA ILE 22 16.259 5.109 -2.690 182 HB ILE 22 HB ILE 22 14.978 4.310 -4.789 183 HG12 ILE 22 HG12 ILE 22 17.354 6.167 -5.035 184 HG13 ILE 22 HG13 ILE 22 17.421 4.454 -4.635 185 HG21 ILE 22 HG21 ILE 22 15.214 7.200 -5.569 186 HG22 ILE 22 HG22 ILE 22 14.392 5.894 -6.420 187 HG23 ILE 22 HG23 ILE 22 13.723 6.523 -4.915 188 HD11 ILE 22 HD11 ILE 22 18.007 4.719 -6.927 189 HD12 ILE 22 HD12 ILE 22 16.410 3.973 -6.857 190 HD13 ILE 22 HD13 ILE 22 16.567 5.687 -7.240 191 H ALA 23 H ALA 23 13.670 7.381 -2.708 192 HA ALA 23 HA ALA 23 15.164 9.701 -3.397 193 HB1 ALA 23 HB1 ALA 23 12.512 9.268 -2.063 194 HB2 ALA 23 HB2 ALA 23 13.200 10.881 -2.256 195 HB3 ALA 23 HB3 ALA 23 12.851 9.895 -3.676 196 H ILE 24 H ILE 24 14.375 8.104 -0.354 197 HA ILE 24 HA ILE 24 15.675 10.174 1.208 198 HB ILE 24 HB ILE 24 15.051 8.899 3.156 199 HG12 ILE 24 HG12 ILE 24 14.157 6.755 1.215 200 HG13 ILE 24 HG13 ILE 24 15.545 6.655 2.294 201 HG21 ILE 24 HG21 ILE 24 12.518 8.420 1.951 202 HG22 ILE 24 HG22 ILE 24 13.019 9.767 2.972 203 HG23 ILE 24 HG23 ILE 24 13.225 9.863 1.224 204 HD11 ILE 24 HD11 ILE 24 13.831 5.412 3.309 205 HD12 ILE 24 HD12 ILE 24 13.911 6.933 4.199 206 HD13 ILE 24 HD13 ILE 24 12.633 6.672 3.011 207 H ALA 25 H ALA 25 16.370 6.991 -0.041 208 HA ALA 25 HA ALA 25 18.597 6.386 1.587 209 HB1 ALA 25 HB1 ALA 25 18.210 4.463 0.538 210 HB2 ALA 25 HB2 ALA 25 17.306 5.266 -0.746 211 HB3 ALA 25 HB3 ALA 25 19.062 5.141 -0.849 212 H ILE 26 H ILE 26 18.248 8.189 -1.413 213 HA ILE 26 HA ILE 26 21.123 8.540 -1.664 214 HB ILE 26 HB ILE 26 18.876 9.662 -3.342 215 HG12 ILE 26 HG12 ILE 26 20.793 7.411 -3.974 216 HG13 ILE 26 HG13 ILE 26 19.158 7.164 -3.372 217 HG21 ILE 26 HG21 ILE 26 20.419 11.040 -4.157 218 HG22 ILE 26 HG22 ILE 26 21.701 10.247 -3.244 219 HG23 ILE 26 HG23 ILE 26 21.229 9.622 -4.824 220 HD11 ILE 26 HD11 ILE 26 19.991 8.369 -5.993 221 HD12 ILE 26 HD12 ILE 26 19.096 6.874 -5.716 222 HD13 ILE 26 HD13 ILE 26 18.341 8.431 -5.374 223 H GLN 27 H GLN 27 18.285 10.355 -0.696 224 HA GLN 27 HA GLN 27 19.304 12.939 -0.714 225 HB2 GLN 27 HB2 GLN 27 16.984 12.654 -0.312 226 HB3 GLN 27 HB3 GLN 27 17.275 11.602 1.066 227 HG2 GLN 27 HG2 GLN 27 16.507 13.842 1.715 228 HG3 GLN 27 HG3 GLN 27 18.096 13.446 2.368 229 HE21 GLN 27 HE21 GLN 27 18.870 15.478 2.604 230 HE22 GLN 27 HE22 GLN 27 19.157 16.563 1.291 231 H GLY 28 H GLY 28 19.977 10.292 1.419 232 HA2 GLY 28 HA2 GLY 28 21.778 12.059 2.948 233 HA3 GLY 28 HA3 GLY 28 20.768 10.876 3.766 234 H GLY 29 H GLY 29 22.258 10.203 0.680 235 HA2 GLY 29 HA2 GLY 29 24.001 8.251 2.048 236 HA3 GLY 29 HA3 GLY 29 23.324 8.023 0.442 237 HA PRO 30 HA PRO 30 27.681 9.545 -0.013 238 HB2 PRO 30 HB2 PRO 30 28.376 7.710 -1.889 239 HB3 PRO 30 HB3 PRO 30 28.497 7.402 -0.152 240 HG2 PRO 30 HG2 PRO 30 26.361 6.574 -2.079 241 HG3 PRO 30 HG3 PRO 30 27.124 5.634 -0.783 242 HD2 PRO 30 HD2 PRO 30 24.690 6.787 -0.507 243 HD3 PRO 30 HD3 PRO 30 25.813 6.591 0.854 244 H ARG 31 H ARG 31 24.955 9.054 -2.043 245 HA ARG 31 HA ARG 31 24.226 10.078 -3.938 246 HB2 ARG 31 HB2 ARG 31 25.130 12.089 -2.603 247 HB3 ARG 31 HB3 ARG 31 26.508 12.022 -3.693 248 HG2 ARG 31 HG2 ARG 31 24.049 11.947 -5.179 249 HG3 ARG 31 HG3 ARG 31 24.084 13.340 -4.095 250 HD2 ARG 31 HD2 ARG 31 25.167 14.259 -5.869 251 HD3 ARG 31 HD3 ARG 31 26.554 13.530 -5.061 252 HE ARG 31 HE ARG 31 25.617 11.595 -6.761 253 HH11 ARG 31 HH11 ARG 31 26.746 14.872 -7.087 254 HH12 ARG 31 HH12 ARG 31 27.367 14.637 -8.687 255 HH21 ARG 31 HH21 ARG 31 26.431 11.273 -8.868 256 HH22 ARG 31 HH22 ARG 31 27.187 12.590 -9.699 Start of MODEL 2 1 H1 SER 1 H SER 1 13.109 -8.698 -10.206 2 HA SER 1 HA SER 1 11.513 -8.309 -11.973 3 HB2 SER 1 HB2 SER 1 9.028 -8.497 -11.147 4 HB3 SER 1 HB3 SER 1 9.901 -9.947 -11.641 5 HG SER 1 HG SER 1 8.980 -9.202 -9.161 6 H TRP 2 H TRP 2 12.788 -6.814 -9.775 7 HA TRP 2 HA TRP 2 11.017 -4.485 -9.856 8 HB2 TRP 2 HB2 TRP 2 12.107 -5.799 -7.391 9 HB3 TRP 2 HB3 TRP 2 11.854 -4.056 -7.412 10 HD1 TRP 2 HD1 TRP 2 9.258 -3.233 -7.845 11 HE1 TRP 2 HE1 TRP 2 7.048 -4.361 -7.158 12 HE3 TRP 2 HE3 TRP 2 10.987 -7.973 -7.021 13 HZ2 TRP 2 HZ2 TRP 2 6.157 -6.921 -6.371 14 HZ3 TRP 2 HZ3 TRP 2 9.391 -9.702 -6.303 15 HH2 TRP 2 HH2 TRP 2 7.026 -9.185 -5.985 16 H LEU 3 H LEU 3 12.402 -3.561 -11.376 17 HA LEU 3 HA LEU 3 15.216 -3.282 -10.843 18 HB2 LEU 3 HB2 LEU 3 13.456 -2.932 -13.067 19 HB3 LEU 3 HB3 LEU 3 14.403 -1.462 -12.845 20 HG LEU 3 HG LEU 3 16.349 -3.342 -12.700 21 HD11 LEU 3 HD11 LEU 3 14.589 -4.361 -14.899 22 HD12 LEU 3 HD12 LEU 3 14.501 -5.036 -13.272 23 HD13 LEU 3 HD13 LEU 3 16.014 -5.107 -14.175 24 HD21 LEU 3 HD21 LEU 3 15.295 -1.514 -14.728 25 HD22 LEU 3 HD22 LEU 3 16.274 -2.829 -15.379 26 HD23 LEU 3 HD23 LEU 3 16.947 -1.749 -14.157 27 H SER 4 H SER 4 12.713 -0.815 -11.460 28 HA SER 4 HA SER 4 13.427 0.681 -9.118 29 HB2 SER 4 HB2 SER 4 14.597 1.367 -11.742 30 HB3 SER 4 HB3 SER 4 13.875 2.716 -10.866 31 HG SER 4 HG SER 4 15.560 0.967 -9.477 32 H LYS 5 H LYS 5 12.255 1.690 -12.322 33 HA LYS 5 HA LYS 5 9.686 2.388 -11.057 34 HB2 LYS 5 HB2 LYS 5 9.582 3.994 -13.128 35 HB3 LYS 5 HB3 LYS 5 10.497 4.451 -11.697 36 HG2 LYS 5 HG2 LYS 5 11.756 4.955 -13.693 37 HG3 LYS 5 HG3 LYS 5 12.556 3.674 -12.780 38 HD2 LYS 5 HD2 LYS 5 12.562 3.172 -15.165 39 HD3 LYS 5 HD3 LYS 5 11.582 2.000 -14.281 40 HE2 LYS 5 HE2 LYS 5 9.805 2.501 -15.517 41 HE3 LYS 5 HE3 LYS 5 9.941 4.203 -15.077 42 HZ1 LYS 5 HZ1 LYS 5 11.573 2.974 -17.222 43 HZ2 LYS 5 HZ2 LYS 5 11.334 4.619 -16.910 44 HZ3 LYS 5 HZ3 LYS 5 10.064 3.681 -17.517 45 H THR 6 H THR 6 10.715 -0.090 -12.522 46 HA THR 6 HA THR 6 9.313 -0.255 -14.984 47 HB THR 6 HB THR 6 9.569 -2.788 -14.577 48 HG1 THR 6 HG1 THR 6 9.912 -2.348 -12.218 49 HG21 THR 6 HG21 THR 6 11.084 -1.272 -15.937 50 HG22 THR 6 HG22 THR 6 11.820 -2.751 -15.317 51 HG23 THR 6 HG23 THR 6 12.133 -1.209 -14.521 52 H ALA 7 H ALA 7 7.169 0.003 -15.060 53 HA ALA 7 HA ALA 7 5.492 -1.108 -12.940 54 HB1 ALA 7 HB1 ALA 7 4.377 0.419 -15.244 55 HB2 ALA 7 HB2 ALA 7 3.855 0.377 -13.560 56 HB3 ALA 7 HB3 ALA 7 5.303 1.276 -14.012 57 H LYS 8 H LYS 8 6.875 -2.736 -15.040 58 HA LYS 8 HA LYS 8 5.152 -3.671 -16.999 59 HB2 LYS 8 HB2 LYS 8 7.135 -5.324 -15.426 60 HB3 LYS 8 HB3 LYS 8 6.492 -5.703 -17.018 61 HG2 LYS 8 HG2 LYS 8 7.520 -3.370 -17.638 62 HG3 LYS 8 HG3 LYS 8 8.526 -3.685 -16.222 63 HD2 LYS 8 HD2 LYS 8 9.024 -5.947 -17.261 64 HD3 LYS 8 HD3 LYS 8 8.281 -5.323 -18.735 65 HE2 LYS 8 HE2 LYS 8 9.901 -3.462 -18.725 66 HE3 LYS 8 HE3 LYS 8 10.664 -4.158 -17.296 67 HZ1 LYS 8 HZ1 LYS 8 11.569 -4.659 -19.680 68 HZ2 LYS 8 HZ2 LYS 8 10.357 -5.839 -19.678 69 HZ3 LYS 8 HZ3 LYS 8 11.562 -5.863 -18.491 70 H LYS 9 H LYS 9 5.079 -4.169 -13.581 71 HA LYS 9 HA LYS 9 2.480 -5.193 -13.560 72 HB2 LYS 9 HB2 LYS 9 3.038 -7.530 -12.736 73 HB3 LYS 9 HB3 LYS 9 3.247 -7.242 -14.459 74 HG2 LYS 9 HG2 LYS 9 5.383 -7.815 -14.357 75 HG3 LYS 9 HG3 LYS 9 5.684 -6.667 -13.050 76 HD2 LYS 9 HD2 LYS 9 5.531 -8.253 -11.449 77 HD3 LYS 9 HD3 LYS 9 4.234 -9.114 -12.282 78 HE2 LYS 9 HE2 LYS 9 5.938 -9.957 -13.900 79 HE3 LYS 9 HE3 LYS 9 7.185 -9.225 -12.891 80 HZ1 LYS 9 HZ1 LYS 9 6.355 -11.734 -12.613 81 HZ2 LYS 9 HZ2 LYS 9 5.314 -10.971 -11.521 82 HZ3 LYS 9 HZ3 LYS 9 6.989 -10.821 -11.338 83 H LEU 10 H LEU 10 3.910 -3.246 -12.166 84 HA LEU 10 HA LEU 10 4.453 -4.297 -9.512 85 HB2 LEU 10 HB2 LEU 10 4.943 -1.786 -10.959 86 HB3 LEU 10 HB3 LEU 10 4.578 -1.599 -9.245 87 HG LEU 10 HG LEU 10 6.477 -2.918 -8.628 88 HD11 LEU 10 HD11 LEU 10 7.995 -3.516 -10.756 89 HD12 LEU 10 HD12 LEU 10 6.393 -3.717 -11.466 90 HD13 LEU 10 HD13 LEU 10 6.845 -4.643 -10.035 91 HD21 LEU 10 HD21 LEU 10 8.315 -1.612 -9.842 92 HD22 LEU 10 HD22 LEU 10 7.115 -0.691 -8.936 93 HD23 LEU 10 HD23 LEU 10 6.998 -0.804 -10.692 94 H GLU 11 H GLU 11 2.382 -1.692 -10.808 95 HA GLU 11 HA GLU 11 0.022 -2.539 -9.586 96 HB2 GLU 11 HB2 GLU 11 1.856 -1.189 -7.800 97 HB3 GLU 11 HB3 GLU 11 0.355 -0.288 -7.957 98 HG2 GLU 11 HG2 GLU 11 0.250 -3.221 -7.453 99 HG3 GLU 11 HG3 GLU 11 0.621 -2.122 -6.126 100 H ASN 12 H ASN 12 -1.668 -0.799 -9.562 101 HA ASN 12 HA ASN 12 -1.445 0.743 -11.972 102 HB2 ASN 12 HB2 ASN 12 -3.657 0.594 -9.912 103 HB3 ASN 12 HB3 ASN 12 -3.778 1.423 -11.461 104 HD21 ASN 12 HD21 ASN 12 -4.667 -1.263 -9.930 105 HD22 ASN 12 HD22 ASN 12 -4.746 -2.374 -11.250 106 H SER 13 H SER 13 -2.647 1.850 -8.815 107 HA SER 13 HA SER 13 -1.238 4.392 -9.272 108 HB2 SER 13 HB2 SER 13 -3.884 3.710 -8.227 109 HB3 SER 13 HB3 SER 13 -3.009 4.842 -7.197 110 HG SER 13 HG SER 13 -3.482 5.140 -9.982 111 H ALA 14 H ALA 14 -1.197 1.595 -7.395 112 HA ALA 14 HA ALA 14 -0.266 2.661 -4.928 113 HB1 ALA 14 HB1 ALA 14 -1.170 0.241 -5.672 114 HB2 ALA 14 HB2 ALA 14 0.567 -0.069 -5.669 115 HB3 ALA 14 HB3 ALA 14 -0.226 0.522 -4.209 116 H LYS 15 H LYS 15 1.168 2.433 -7.955 117 HA LYS 15 HA LYS 15 3.882 2.073 -6.996 118 HB2 LYS 15 HB2 LYS 15 4.541 2.045 -9.261 119 HB3 LYS 15 HB3 LYS 15 2.997 1.204 -9.222 120 HG2 LYS 15 HG2 LYS 15 2.611 2.537 -11.005 121 HG3 LYS 15 HG3 LYS 15 2.095 3.650 -9.736 122 HD2 LYS 15 HD2 LYS 15 4.860 4.009 -9.969 123 HD3 LYS 15 HD3 LYS 15 4.258 3.899 -11.625 124 HE2 LYS 15 HE2 LYS 15 2.565 5.545 -9.932 125 HE3 LYS 15 HE3 LYS 15 4.222 6.142 -10.006 126 HZ1 LYS 15 HZ1 LYS 15 3.353 7.150 -11.831 127 HZ2 LYS 15 HZ2 LYS 15 2.226 5.925 -12.134 128 HZ3 LYS 15 HZ3 LYS 15 3.849 5.704 -12.556 129 H LYS 16 H LYS 16 1.699 4.644 -7.640 130 HA LYS 16 HA LYS 16 3.690 6.671 -8.061 131 HB2 LYS 16 HB2 LYS 16 0.845 6.472 -8.229 132 HB3 LYS 16 HB3 LYS 16 1.244 7.821 -7.174 133 HG2 LYS 16 HG2 LYS 16 1.787 9.087 -8.906 134 HG3 LYS 16 HG3 LYS 16 2.919 7.871 -9.502 135 HD2 LYS 16 HD2 LYS 16 1.173 8.395 -11.151 136 HD3 LYS 16 HD3 LYS 16 1.109 6.709 -10.634 137 HE2 LYS 16 HE2 LYS 16 -0.981 6.953 -9.918 138 HE3 LYS 16 HE3 LYS 16 -0.526 8.334 -8.921 139 HZ1 LYS 16 HZ1 LYS 16 -0.986 9.817 -10.633 140 HZ2 LYS 16 HZ2 LYS 16 -2.250 8.698 -10.741 141 HZ3 LYS 16 HZ3 LYS 16 -0.957 8.620 -11.829 142 H ARG 17 H ARG 17 1.823 5.463 -5.334 143 HA ARG 17 HA ARG 17 2.557 7.513 -3.513 144 HB2 ARG 17 HB2 ARG 17 1.564 6.173 -1.828 145 HB3 ARG 17 HB3 ARG 17 0.613 5.905 -3.283 146 HG2 ARG 17 HG2 ARG 17 2.332 3.889 -3.550 147 HG3 ARG 17 HG3 ARG 17 2.370 4.053 -1.794 148 HD2 ARG 17 HD2 ARG 17 -0.294 4.078 -3.080 149 HD3 ARG 17 HD3 ARG 17 0.575 2.544 -3.088 150 HE ARG 17 HE ARG 17 0.670 3.593 -0.498 151 HH11 ARG 17 HH11 ARG 17 -1.653 2.310 -2.753 152 HH12 ARG 17 HH12 ARG 17 -2.712 1.710 -1.521 153 HH21 ARG 17 HH21 ARG 17 -0.717 2.807 1.133 154 HH22 ARG 17 HH22 ARG 17 -2.180 1.994 0.689 155 H ILE 18 H ILE 18 4.009 4.471 -4.467 156 HA ILE 18 HA ILE 18 5.984 4.530 -2.361 157 HB ILE 18 HB ILE 18 6.923 2.555 -3.398 158 HG12 ILE 18 HG12 ILE 18 4.957 3.079 -5.637 159 HG13 ILE 18 HG13 ILE 18 6.708 3.215 -5.743 160 HG21 ILE 18 HG21 ILE 18 4.977 1.071 -3.284 161 HG22 ILE 18 HG22 ILE 18 4.968 2.258 -1.981 162 HG23 ILE 18 HG23 ILE 18 3.909 2.471 -3.375 163 HD11 ILE 18 HD11 ILE 18 6.572 1.145 -6.575 164 HD12 ILE 18 HD12 ILE 18 6.441 0.665 -4.883 165 HD13 ILE 18 HD13 ILE 18 4.986 0.851 -5.862 166 H SER 19 H SER 19 5.687 5.669 -5.615 167 HA SER 19 HA SER 19 8.418 5.859 -6.286 168 HB2 SER 19 HB2 SER 19 7.618 6.665 -8.228 169 HB3 SER 19 HB3 SER 19 6.008 6.412 -7.554 170 HG SER 19 HG SER 19 6.996 8.674 -8.304 171 H GLU 20 H GLU 20 6.554 7.557 -4.025 172 HA GLU 20 HA GLU 20 8.134 9.985 -4.109 173 HB2 GLU 20 HB2 GLU 20 5.576 9.433 -3.281 174 HB3 GLU 20 HB3 GLU 20 6.440 9.544 -1.754 175 HG2 GLU 20 HG2 GLU 20 7.371 11.751 -2.683 176 HG3 GLU 20 HG3 GLU 20 6.061 11.638 -3.856 177 H GLY 21 H GLY 21 7.732 7.172 -1.993 178 HA2 GLY 21 HA2 GLY 21 9.756 8.112 -0.150 179 HA3 GLY 21 HA3 GLY 21 8.898 6.581 -0.069 180 H ILE 22 H ILE 22 9.531 5.763 -2.762 181 HA ILE 22 HA ILE 22 12.096 4.598 -2.247 182 HB ILE 22 HB ILE 22 10.155 3.499 -3.486 183 HG12 ILE 22 HG12 ILE 22 12.906 3.470 -4.747 184 HG13 ILE 22 HG13 ILE 22 12.400 2.517 -3.357 185 HG21 ILE 22 HG21 ILE 22 11.292 4.844 -5.912 186 HG22 ILE 22 HG22 ILE 22 9.786 3.942 -5.747 187 HG23 ILE 22 HG23 ILE 22 9.938 5.543 -5.023 188 HD11 ILE 22 HD11 ILE 22 12.359 1.078 -5.222 189 HD12 ILE 22 HD12 ILE 22 10.676 1.465 -4.858 190 HD13 ILE 22 HD13 ILE 22 11.492 2.258 -6.205 191 H ALA 23 H ALA 23 10.983 7.400 -3.888 192 HA ALA 23 HA ALA 23 13.133 7.686 -5.732 193 HB1 ALA 23 HB1 ALA 23 11.049 9.558 -4.663 194 HB2 ALA 23 HB2 ALA 23 12.339 10.127 -5.724 195 HB3 ALA 23 HB3 ALA 23 11.214 8.890 -6.287 196 H ILE 24 H ILE 24 12.552 8.790 -2.434 197 HA ILE 24 HA ILE 24 15.063 10.256 -2.379 198 HB ILE 24 HB ILE 24 14.450 10.948 -0.152 199 HG12 ILE 24 HG12 ILE 24 12.120 9.035 -0.419 200 HG13 ILE 24 HG13 ILE 24 13.509 8.825 0.641 201 HG21 ILE 24 HG21 ILE 24 12.623 12.299 -0.676 202 HG22 ILE 24 HG22 ILE 24 13.335 11.927 -2.245 203 HG23 ILE 24 HG23 ILE 24 11.890 11.070 -1.707 204 HD11 ILE 24 HD11 ILE 24 11.606 9.606 1.895 205 HD12 ILE 24 HD12 ILE 24 12.853 10.853 1.860 206 HD13 ILE 24 HD13 ILE 24 11.434 10.995 0.823 207 H ALA 25 H ALA 25 13.756 7.204 -1.358 208 HA ALA 25 HA ALA 25 15.752 6.557 0.558 209 HB1 ALA 25 HB1 ALA 25 13.509 5.196 -0.738 210 HB2 ALA 25 HB2 ALA 25 14.857 4.137 -0.322 211 HB3 ALA 25 HB3 ALA 25 14.083 5.110 0.928 212 H ILE 26 H ILE 26 15.445 6.070 -2.915 213 HA ILE 26 HA ILE 26 17.903 4.525 -3.031 214 HB ILE 26 HB ILE 26 16.105 5.495 -5.256 215 HG12 ILE 26 HG12 ILE 26 14.948 3.885 -3.886 216 HG13 ILE 26 HG13 ILE 26 15.452 3.080 -5.368 217 HG21 ILE 26 HG21 ILE 26 18.014 5.134 -6.427 218 HG22 ILE 26 HG22 ILE 26 18.673 4.026 -5.225 219 HG23 ILE 26 HG23 ILE 26 17.441 3.467 -6.356 220 HD11 ILE 26 HD11 ILE 26 15.802 1.654 -3.445 221 HD12 ILE 26 HD12 ILE 26 17.345 2.094 -4.177 222 HD13 ILE 26 HD13 ILE 26 16.815 2.886 -2.693 223 H GLN 27 H GLN 27 16.821 7.785 -3.510 224 HA GLN 27 HA GLN 27 18.835 8.773 -5.169 225 HB2 GLN 27 HB2 GLN 27 16.888 10.104 -4.665 226 HB3 GLN 27 HB3 GLN 27 17.293 10.128 -2.954 227 HG2 GLN 27 HG2 GLN 27 18.710 11.833 -3.192 228 HG3 GLN 27 HG3 GLN 27 19.411 11.168 -4.667 229 HE21 GLN 27 HE21 GLN 27 16.521 12.800 -3.444 230 HE22 GLN 27 HE22 GLN 27 16.212 13.709 -4.880 231 H GLY 28 H GLY 28 18.939 7.778 -1.872 232 HA2 GLY 28 HA2 GLY 28 21.758 8.625 -1.754 233 HA3 GLY 28 HA3 GLY 28 20.686 8.965 -0.403 234 H GLY 29 H GLY 29 20.154 6.027 -2.111 235 HA2 GLY 29 HA2 GLY 29 20.567 4.445 0.199 236 HA3 GLY 29 HA3 GLY 29 20.312 3.838 -1.430 237 HA PRO 30 HA PRO 30 24.500 2.613 -1.795 238 HB2 PRO 30 HB2 PRO 30 25.224 3.445 -4.275 239 HB3 PRO 30 HB3 PRO 30 24.105 2.105 -4.001 240 HG2 PRO 30 HG2 PRO 30 23.513 4.958 -4.687 241 HG3 PRO 30 HG3 PRO 30 22.777 3.477 -5.328 242 HD2 PRO 30 HD2 PRO 30 21.586 4.990 -3.424 243 HD3 PRO 30 HD3 PRO 30 21.390 3.227 -3.504 244 H ARG 31 H ARG 31 23.815 5.991 -2.354 245 HA ARG 31 HA ARG 31 26.402 6.683 -1.189 246 HB2 ARG 31 HB2 ARG 31 26.987 8.245 -2.887 247 HB3 ARG 31 HB3 ARG 31 26.598 6.737 -3.703 248 HG2 ARG 31 HG2 ARG 31 24.271 7.708 -4.046 249 HG3 ARG 31 HG3 ARG 31 24.974 9.253 -3.562 250 HD2 ARG 31 HD2 ARG 31 25.326 9.426 -5.795 251 HD3 ARG 31 HD3 ARG 31 26.783 8.523 -5.383 252 HE ARG 31 HE ARG 31 24.649 6.757 -5.965 253 HH11 ARG 31 HH11 ARG 31 26.925 8.910 -7.483 254 HH12 ARG 31 HH12 ARG 31 26.938 8.048 -8.986 255 HH21 ARG 31 HH21 ARG 31 24.657 5.613 -7.939 256 HH22 ARG 31 HH22 ARG 31 25.646 6.173 -9.244 Start of MODEL 3 1 H1 SER 1 H SER 1 -11.930 -8.812 -19.491 2 HA SER 1 HA SER 1 -9.699 -8.787 -19.013 3 HB2 SER 1 HB2 SER 1 -9.308 -8.838 -22.016 4 HB3 SER 1 HB3 SER 1 -8.063 -9.143 -20.804 5 HG SER 1 HG SER 1 -9.709 -10.887 -21.878 6 H TRP 2 H TRP 2 -10.748 -6.500 -18.571 7 HA TRP 2 HA TRP 2 -9.187 -4.473 -20.028 8 HB2 TRP 2 HB2 TRP 2 -11.781 -4.381 -19.897 9 HB3 TRP 2 HB3 TRP 2 -11.518 -3.829 -18.245 10 HD1 TRP 2 HD1 TRP 2 -9.358 -2.755 -21.253 11 HE1 TRP 2 HE1 TRP 2 -9.587 -0.207 -21.538 12 HE3 TRP 2 HE3 TRP 2 -12.947 -1.862 -17.723 13 HZ2 TRP 2 HZ2 TRP 2 -11.090 1.902 -20.415 14 HZ3 TRP 2 HZ3 TRP 2 -13.725 0.448 -17.390 15 HH2 TRP 2 HH2 TRP 2 -12.814 2.290 -18.709 16 H LEU 3 H LEU 3 -7.596 -5.675 -18.363 17 HA LEU 3 HA LEU 3 -7.282 -3.769 -16.166 18 HB2 LEU 3 HB2 LEU 3 -6.922 -5.413 -14.523 19 HB3 LEU 3 HB3 LEU 3 -8.406 -5.872 -15.354 20 HG LEU 3 HG LEU 3 -6.225 -7.198 -16.617 21 HD11 LEU 3 HD11 LEU 3 -5.139 -8.343 -14.920 22 HD12 LEU 3 HD12 LEU 3 -6.351 -7.912 -13.714 23 HD13 LEU 3 HD13 LEU 3 -5.215 -6.695 -14.295 24 HD21 LEU 3 HD21 LEU 3 -7.558 -9.058 -16.351 25 HD22 LEU 3 HD22 LEU 3 -8.746 -7.757 -16.264 26 HD23 LEU 3 HD23 LEU 3 -8.172 -8.529 -14.785 27 H SER 4 H SER 4 -5.046 -4.694 -14.983 28 HA SER 4 HA SER 4 -2.778 -4.587 -15.174 29 HB2 SER 4 HB2 SER 4 -3.355 -6.375 -17.548 30 HB3 SER 4 HB3 SER 4 -1.766 -6.147 -16.818 31 HG SER 4 HG SER 4 -3.349 -7.978 -16.141 32 H LYS 5 H LYS 5 -4.181 -2.430 -16.342 33 HA LYS 5 HA LYS 5 -3.157 -1.802 -18.923 34 HB2 LYS 5 HB2 LYS 5 -4.049 0.434 -18.519 35 HB3 LYS 5 HB3 LYS 5 -5.219 -0.794 -18.052 36 HG2 LYS 5 HG2 LYS 5 -3.859 -0.357 -15.715 37 HG3 LYS 5 HG3 LYS 5 -3.902 1.249 -16.446 38 HD2 LYS 5 HD2 LYS 5 -6.345 -0.490 -16.189 39 HD3 LYS 5 HD3 LYS 5 -5.847 0.648 -14.935 40 HE2 LYS 5 HE2 LYS 5 -6.829 2.305 -16.038 41 HE3 LYS 5 HE3 LYS 5 -5.799 1.999 -17.436 42 HZ1 LYS 5 HZ1 LYS 5 -7.489 1.102 -18.534 43 HZ2 LYS 5 HZ2 LYS 5 -8.513 1.676 -17.316 44 HZ3 LYS 5 HZ3 LYS 5 -7.914 0.096 -17.241 45 H THR 6 H THR 6 -2.011 -1.361 -15.667 46 HA THR 6 HA THR 6 0.552 -0.459 -16.692 47 HB THR 6 HB THR 6 -0.670 1.650 -16.307 48 HG1 THR 6 HG1 THR 6 1.164 2.451 -15.619 49 HG21 THR 6 HG21 THR 6 -0.661 1.042 -13.369 50 HG22 THR 6 HG22 THR 6 -2.033 0.591 -14.381 51 HG23 THR 6 HG23 THR 6 -1.557 2.283 -14.245 52 H ALA 7 H ALA 7 -0.220 -2.889 -15.506 53 HA ALA 7 HA ALA 7 1.103 -2.737 -12.876 54 HB1 ALA 7 HB1 ALA 7 -0.445 -4.086 -12.017 55 HB2 ALA 7 HB2 ALA 7 -1.374 -3.807 -13.490 56 HB3 ALA 7 HB3 ALA 7 -0.318 -5.214 -13.368 57 H LYS 8 H LYS 8 2.173 -3.072 -15.713 58 HA LYS 8 HA LYS 8 3.106 -5.642 -16.170 59 HB2 LYS 8 HB2 LYS 8 3.323 -3.787 -17.777 60 HB3 LYS 8 HB3 LYS 8 4.533 -3.038 -16.744 61 HG2 LYS 8 HG2 LYS 8 6.014 -4.944 -17.077 62 HG3 LYS 8 HG3 LYS 8 4.796 -5.718 -18.093 63 HD2 LYS 8 HD2 LYS 8 5.757 -2.968 -18.762 64 HD3 LYS 8 HD3 LYS 8 6.746 -4.368 -19.185 65 HE2 LYS 8 HE2 LYS 8 4.084 -4.946 -19.949 66 HE3 LYS 8 HE3 LYS 8 4.452 -3.318 -20.519 67 HZ1 LYS 8 HZ1 LYS 8 5.029 -5.077 -22.126 68 HZ2 LYS 8 HZ2 LYS 8 6.156 -5.695 -21.027 69 HZ3 LYS 8 HZ3 LYS 8 6.365 -4.144 -21.670 70 H LYS 9 H LYS 9 4.097 -3.323 -13.804 71 HA LYS 9 HA LYS 9 5.541 -5.166 -12.279 72 HB2 LYS 9 HB2 LYS 9 7.045 -4.469 -14.438 73 HB3 LYS 9 HB3 LYS 9 7.556 -3.254 -13.273 74 HG2 LYS 9 HG2 LYS 9 7.510 -6.163 -12.563 75 HG3 LYS 9 HG3 LYS 9 8.879 -5.441 -13.410 76 HD2 LYS 9 HD2 LYS 9 9.039 -3.762 -11.572 77 HD3 LYS 9 HD3 LYS 9 7.788 -4.660 -10.708 78 HE2 LYS 9 HE2 LYS 9 9.539 -5.729 -9.785 79 HE3 LYS 9 HE3 LYS 9 9.526 -6.650 -11.288 80 HZ1 LYS 9 HZ1 LYS 9 11.735 -5.741 -10.617 81 HZ2 LYS 9 HZ2 LYS 9 11.132 -4.187 -10.907 82 HZ3 LYS 9 HZ3 LYS 9 11.239 -5.302 -12.174 83 H LEU 10 H LEU 10 3.603 -3.217 -11.811 84 HA LEU 10 HA LEU 10 4.582 -0.783 -10.817 85 HB2 LEU 10 HB2 LEU 10 2.475 -0.459 -9.876 86 HB3 LEU 10 HB3 LEU 10 2.176 -1.471 -11.287 87 HG LEU 10 HG LEU 10 2.356 -2.522 -8.466 88 HD11 LEU 10 HD11 LEU 10 -0.228 -2.805 -9.108 89 HD12 LEU 10 HD12 LEU 10 0.125 -1.312 -9.976 90 HD13 LEU 10 HD13 LEU 10 0.404 -1.408 -8.237 91 HD21 LEU 10 HD21 LEU 10 0.960 -4.354 -9.755 92 HD22 LEU 10 HD22 LEU 10 2.724 -4.365 -9.762 93 HD23 LEU 10 HD23 LEU 10 1.840 -3.711 -11.142 94 H GLU 11 H GLU 11 4.617 -3.981 -9.502 95 HA GLU 11 HA GLU 11 5.525 -4.857 -7.609 96 HB2 GLU 11 HB2 GLU 11 6.980 -2.356 -8.039 97 HB3 GLU 11 HB3 GLU 11 6.957 -2.861 -6.355 98 HG2 GLU 11 HG2 GLU 11 8.268 -4.658 -6.729 99 HG3 GLU 11 HG3 GLU 11 7.602 -4.949 -8.335 100 H ASN 12 H ASN 12 5.614 -4.570 -5.167 101 HA ASN 12 HA ASN 12 3.132 -3.253 -4.332 102 HB2 ASN 12 HB2 ASN 12 3.656 -5.754 -3.909 103 HB3 ASN 12 HB3 ASN 12 4.725 -5.163 -2.639 104 HD21 ASN 12 HD21 ASN 12 3.820 -5.261 -0.728 105 HD22 ASN 12 HD22 ASN 12 2.156 -4.972 -0.366 106 H SER 13 H SER 13 4.532 -1.221 -4.547 107 HA SER 13 HA SER 13 5.480 0.573 -3.516 108 HB2 SER 13 HB2 SER 13 4.082 -0.820 -1.460 109 HB3 SER 13 HB3 SER 13 5.608 -0.250 -0.786 110 HG SER 13 HG SER 13 3.398 1.154 -1.405 111 H ALA 14 H ALA 14 6.971 -2.056 -4.133 112 HA ALA 14 HA ALA 14 9.208 -2.065 -2.343 113 HB1 ALA 14 HB1 ALA 14 8.271 -3.651 -4.565 114 HB2 ALA 14 HB2 ALA 14 10.002 -3.336 -4.688 115 HB3 ALA 14 HB3 ALA 14 9.345 -4.095 -3.238 116 H LYS 15 H LYS 15 8.416 -0.491 -5.354 117 HA LYS 15 HA LYS 15 11.137 0.412 -5.795 118 HB2 LYS 15 HB2 LYS 15 10.368 1.316 -7.835 119 HB3 LYS 15 HB3 LYS 15 9.490 -0.195 -7.640 120 HG2 LYS 15 HG2 LYS 15 8.272 2.362 -6.698 121 HG3 LYS 15 HG3 LYS 15 8.238 1.941 -8.411 122 HD2 LYS 15 HD2 LYS 15 6.442 0.693 -8.002 123 HD3 LYS 15 HD3 LYS 15 7.466 -0.380 -7.044 124 HE2 LYS 15 HE2 LYS 15 6.776 0.512 -5.058 125 HE3 LYS 15 HE3 LYS 15 6.468 2.102 -5.754 126 HZ1 LYS 15 HZ1 LYS 15 4.470 1.258 -6.773 127 HZ2 LYS 15 HZ2 LYS 15 4.424 0.953 -5.110 128 HZ3 LYS 15 HZ3 LYS 15 4.777 -0.301 -6.190 129 H LYS 16 H LYS 16 8.270 1.513 -4.245 130 HA LYS 16 HA LYS 16 9.053 4.304 -4.257 131 HB2 LYS 16 HB2 LYS 16 6.642 2.883 -3.854 132 HB3 LYS 16 HB3 LYS 16 6.991 3.716 -2.344 133 HG2 LYS 16 HG2 LYS 16 5.612 5.118 -3.709 134 HG3 LYS 16 HG3 LYS 16 7.225 5.828 -3.612 135 HD2 LYS 16 HD2 LYS 16 6.896 6.012 -5.858 136 HD3 LYS 16 HD3 LYS 16 7.566 4.380 -5.818 137 HE2 LYS 16 HE2 LYS 16 5.714 3.973 -7.075 138 HE3 LYS 16 HE3 LYS 16 5.012 3.750 -5.473 139 HZ1 LYS 16 HZ1 LYS 16 4.291 5.606 -7.448 140 HZ2 LYS 16 HZ2 LYS 16 4.858 6.464 -6.106 141 HZ3 LYS 16 HZ3 LYS 16 3.587 5.362 -5.929 142 H ARG 17 H ARG 17 9.276 1.530 -2.163 143 HA ARG 17 HA ARG 17 9.962 3.025 0.191 144 HB2 ARG 17 HB2 ARG 17 10.206 0.949 1.269 145 HB3 ARG 17 HB3 ARG 17 8.912 0.695 0.105 146 HG2 ARG 17 HG2 ARG 17 10.705 -0.224 -1.448 147 HG3 ARG 17 HG3 ARG 17 11.753 -0.255 -0.028 148 HD2 ARG 17 HD2 ARG 17 9.084 -1.640 -0.269 149 HD3 ARG 17 HD3 ARG 17 10.657 -2.419 -0.430 150 HE ARG 17 HE ARG 17 9.356 -1.614 2.011 151 HH11 ARG 17 HH11 ARG 17 12.384 -2.398 0.483 152 HH12 ARG 17 HH12 ARG 17 13.170 -2.830 1.965 153 HH21 ARG 17 HH21 ARG 17 10.380 -2.180 3.969 154 HH22 ARG 17 HH22 ARG 17 12.029 -2.706 3.948 155 H ILE 18 H ILE 18 11.670 1.643 -2.498 156 HA ILE 18 HA ILE 18 14.259 1.854 -1.208 157 HB ILE 18 HB ILE 18 15.191 1.025 -3.284 158 HG12 ILE 18 HG12 ILE 18 12.380 1.165 -4.396 159 HG13 ILE 18 HG13 ILE 18 13.677 2.283 -4.803 160 HG21 ILE 18 HG21 ILE 18 14.464 -0.721 -1.914 161 HG22 ILE 18 HG22 ILE 18 12.763 -0.390 -2.238 162 HG23 ILE 18 HG23 ILE 18 13.777 -1.102 -3.493 163 HD11 ILE 18 HD11 ILE 18 14.944 0.115 -5.489 164 HD12 ILE 18 HD12 ILE 18 13.319 -0.567 -5.577 165 HD13 ILE 18 HD13 ILE 18 13.745 0.828 -6.568 166 H SER 19 H SER 19 12.245 3.700 -3.352 167 HA SER 19 HA SER 19 14.217 5.374 -4.475 168 HB2 SER 19 HB2 SER 19 11.466 5.080 -4.734 169 HB3 SER 19 HB3 SER 19 11.652 6.698 -4.057 170 HG SER 19 HG SER 19 11.770 6.820 -6.293 171 H GLU 20 H GLU 20 13.022 5.147 -1.317 172 HA GLU 20 HA GLU 20 13.399 7.906 -0.587 173 HB2 GLU 20 HB2 GLU 20 12.054 5.762 0.530 174 HB3 GLU 20 HB3 GLU 20 13.427 5.978 1.606 175 HG2 GLU 20 HG2 GLU 20 12.467 8.548 1.166 176 HG3 GLU 20 HG3 GLU 20 11.026 7.549 1.345 177 H GLY 21 H GLY 21 15.139 4.860 0.011 178 HA2 GLY 21 HA2 GLY 21 17.318 6.220 1.324 179 HA3 GLY 21 HA3 GLY 21 17.236 4.508 0.938 180 H ILE 22 H ILE 22 16.651 4.999 -1.891 181 HA ILE 22 HA ILE 22 19.362 5.208 -2.800 182 HB ILE 22 HB ILE 22 16.809 4.997 -4.400 183 HG12 ILE 22 HG12 ILE 22 18.791 2.806 -3.791 184 HG13 ILE 22 HG13 ILE 22 17.387 3.112 -2.775 185 HG21 ILE 22 HG21 ILE 22 18.378 4.138 -6.173 186 HG22 ILE 22 HG22 ILE 22 18.497 5.861 -5.821 187 HG23 ILE 22 HG23 ILE 22 19.703 4.746 -5.181 188 HD11 ILE 22 HD11 ILE 22 17.268 2.464 -5.710 189 HD12 ILE 22 HD12 ILE 22 17.043 1.300 -4.404 190 HD13 ILE 22 HD13 ILE 22 15.905 2.631 -4.604 191 H ALA 23 H ALA 23 16.724 7.380 -2.445 192 HA ALA 23 HA ALA 23 17.510 9.273 -4.433 193 HB1 ALA 23 HB1 ALA 23 15.640 9.385 -2.088 194 HB2 ALA 23 HB2 ALA 23 15.982 10.807 -3.074 195 HB3 ALA 23 HB3 ALA 23 15.256 9.377 -3.809 196 H ILE 24 H ILE 24 18.140 8.878 -0.985 197 HA ILE 24 HA ILE 24 19.687 11.340 -0.891 198 HB ILE 24 HB ILE 24 19.986 10.864 1.481 199 HG12 ILE 24 HG12 ILE 24 18.433 8.802 2.223 200 HG13 ILE 24 HG13 ILE 24 18.954 8.204 0.652 201 HG21 ILE 24 HG21 ILE 24 17.719 11.141 2.183 202 HG22 ILE 24 HG22 ILE 24 17.908 11.951 0.629 203 HG23 ILE 24 HG23 ILE 24 17.115 10.379 0.713 204 HD11 ILE 24 HD11 ILE 24 20.339 8.132 3.104 205 HD12 ILE 24 HD12 ILE 24 20.877 7.564 1.523 206 HD13 ILE 24 HD13 ILE 24 21.222 9.218 2.031 207 H ALA 25 H ALA 25 20.177 7.912 -1.151 208 HA ALA 25 HA ALA 25 22.868 7.783 -0.315 209 HB1 ALA 25 HB1 ALA 25 22.766 5.740 -2.023 210 HB2 ALA 25 HB2 ALA 25 22.010 5.685 -0.430 211 HB3 ALA 25 HB3 ALA 25 21.035 6.040 -1.856 212 H ILE 26 H ILE 26 21.364 8.640 -3.361 213 HA ILE 26 HA ILE 26 23.968 8.799 -4.682 214 HB ILE 26 HB ILE 26 21.229 9.303 -5.849 215 HG12 ILE 26 HG12 ILE 26 21.345 7.001 -5.151 216 HG13 ILE 26 HG13 ILE 26 21.556 7.050 -6.898 217 HG21 ILE 26 HG21 ILE 26 23.991 9.308 -6.943 218 HG22 ILE 26 HG22 ILE 26 22.694 8.683 -7.960 219 HG23 ILE 26 HG23 ILE 26 22.613 10.333 -7.343 220 HD11 ILE 26 HD11 ILE 26 23.082 5.471 -5.881 221 HD12 ILE 26 HD12 ILE 26 23.970 6.813 -6.603 222 HD13 ILE 26 HD13 ILE 26 23.743 6.744 -4.855 223 H GLN 27 H GLN 27 21.540 10.797 -3.253 224 HA GLN 27 HA GLN 27 21.962 13.226 -4.536 225 HB2 GLN 27 HB2 GLN 27 20.148 12.874 -2.940 226 HB3 GLN 27 HB3 GLN 27 21.309 12.719 -1.629 227 HG2 GLN 27 HG2 GLN 27 20.375 14.894 -1.512 228 HG3 GLN 27 HG3 GLN 27 22.032 15.057 -2.089 229 HE21 GLN 27 HE21 GLN 27 18.799 14.516 -3.457 230 HE22 GLN 27 HE22 GLN 27 18.963 15.663 -4.738 231 H GLY 28 H GLY 28 23.969 11.510 -2.298 232 HA2 GLY 28 HA2 GLY 28 25.876 13.763 -2.368 233 HA3 GLY 28 HA3 GLY 28 25.591 12.853 -0.892 234 H GLY 29 H GLY 29 25.597 11.190 -3.933 235 HA2 GLY 29 HA2 GLY 29 27.760 9.512 -3.077 236 HA3 GLY 29 HA3 GLY 29 26.909 9.415 -4.612 237 HA PRO 30 HA PRO 30 30.291 11.204 -6.739 238 HB2 PRO 30 HB2 PRO 30 29.105 12.897 -8.499 239 HB3 PRO 30 HB3 PRO 30 29.027 11.138 -8.657 240 HG2 PRO 30 HG2 PRO 30 26.996 13.031 -7.539 241 HG3 PRO 30 HG3 PRO 30 26.758 11.642 -8.615 242 HD2 PRO 30 HD2 PRO 30 26.281 11.520 -5.953 243 HD3 PRO 30 HD3 PRO 30 26.859 10.124 -6.884 244 H ARG 31 H ARG 31 28.037 13.389 -5.214 245 HA ARG 31 HA ARG 31 29.605 15.752 -5.545 246 HB2 ARG 31 HB2 ARG 31 27.028 15.173 -4.671 247 HB3 ARG 31 HB3 ARG 31 27.840 15.778 -3.233 248 HG2 ARG 31 HG2 ARG 31 28.626 17.681 -4.850 249 HG3 ARG 31 HG3 ARG 31 27.223 17.168 -5.790 250 HD2 ARG 31 HD2 ARG 31 26.077 18.575 -4.476 251 HD3 ARG 31 HD3 ARG 31 26.191 17.293 -3.270 252 HE ARG 31 HE ARG 31 28.448 19.050 -3.228 253 HH11 ARG 31 HH11 ARG 31 25.162 18.644 -2.153 254 HH12 ARG 31 HH12 ARG 31 25.345 19.686 -0.781 255 HH21 ARG 31 HH21 ARG 31 28.701 20.423 -1.425 256 HH22 ARG 31 HH22 ARG 31 27.358 20.698 -0.368 Start of MODEL 4 1 H1 SER 1 H SER 1 -1.529 -16.226 -19.485 2 HA SER 1 HA SER 1 -3.072 -14.071 -18.447 3 HB2 SER 1 HB2 SER 1 -3.090 -16.529 -16.702 4 HB3 SER 1 HB3 SER 1 -4.012 -15.039 -16.503 5 HG SER 1 HG SER 1 -5.501 -15.858 -17.725 6 H TRP 2 H TRP 2 -0.549 -13.906 -19.057 7 HA TRP 2 HA TRP 2 1.367 -14.746 -17.196 8 HB2 TRP 2 HB2 TRP 2 1.418 -12.245 -18.899 9 HB3 TRP 2 HB3 TRP 2 2.812 -13.023 -18.154 10 HD1 TRP 2 HD1 TRP 2 1.962 -16.048 -18.998 11 HE1 TRP 2 HE1 TRP 2 2.294 -16.757 -21.450 12 HE3 TRP 2 HE3 TRP 2 2.121 -11.421 -21.166 13 HZ2 TRP 2 HZ2 TRP 2 2.585 -15.518 -23.970 14 HZ3 TRP 2 HZ3 TRP 2 2.430 -11.270 -23.602 15 HH2 TRP 2 HH2 TRP 2 2.657 -13.277 -24.974 16 H LEU 3 H LEU 3 -0.291 -11.600 -17.457 17 HA LEU 3 HA LEU 3 -0.838 -10.050 -15.881 18 HB2 LEU 3 HB2 LEU 3 -0.766 -12.522 -14.460 19 HB3 LEU 3 HB3 LEU 3 -0.074 -11.262 -13.440 20 HG LEU 3 HG LEU 3 -2.488 -11.624 -13.055 21 HD11 LEU 3 HD11 LEU 3 -1.191 -9.104 -13.685 22 HD12 LEU 3 HD12 LEU 3 -2.235 -9.534 -12.331 23 HD13 LEU 3 HD13 LEU 3 -2.944 -9.029 -13.864 24 HD21 LEU 3 HD21 LEU 3 -2.853 -10.488 -15.823 25 HD22 LEU 3 HD22 LEU 3 -4.114 -10.998 -14.701 26 HD23 LEU 3 HD23 LEU 3 -3.033 -12.195 -15.417 27 H SER 4 H SER 4 1.800 -11.704 -14.165 28 HA SER 4 HA SER 4 3.785 -10.945 -13.349 29 HB2 SER 4 HB2 SER 4 3.677 -9.408 -15.952 30 HB3 SER 4 HB3 SER 4 5.098 -9.465 -14.910 31 HG SER 4 HG SER 4 5.146 -11.050 -16.580 32 H LYS 5 H LYS 5 2.701 -9.927 -11.567 33 HA LYS 5 HA LYS 5 1.707 -7.341 -11.494 34 HB2 LYS 5 HB2 LYS 5 2.307 -7.405 -9.049 35 HB3 LYS 5 HB3 LYS 5 1.353 -8.768 -9.619 36 HG2 LYS 5 HG2 LYS 5 4.190 -9.294 -9.817 37 HG3 LYS 5 HG3 LYS 5 3.709 -8.878 -8.171 38 HD2 LYS 5 HD2 LYS 5 2.060 -10.828 -9.712 39 HD3 LYS 5 HD3 LYS 5 3.595 -11.361 -9.022 40 HE2 LYS 5 HE2 LYS 5 2.858 -11.154 -6.875 41 HE3 LYS 5 HE3 LYS 5 1.760 -9.831 -7.264 42 HZ1 LYS 5 HZ1 LYS 5 1.303 -12.699 -7.329 43 HZ2 LYS 5 HZ2 LYS 5 0.614 -11.819 -8.598 44 HZ3 LYS 5 HZ3 LYS 5 0.226 -11.437 -6.997 45 H THR 6 H THR 6 2.718 -5.590 -12.233 46 HA THR 6 HA THR 6 5.541 -5.190 -11.480 47 HB THR 6 HB THR 6 5.482 -5.383 -13.848 48 HG1 THR 6 HG1 THR 6 6.708 -3.669 -13.921 49 HG21 THR 6 HG21 THR 6 3.841 -3.327 -14.795 50 HG22 THR 6 HG22 THR 6 2.888 -4.150 -13.561 51 HG23 THR 6 HG23 THR 6 3.551 -5.062 -14.917 52 H ALA 7 H ALA 7 5.584 -3.829 -9.805 53 HA ALA 7 HA ALA 7 4.353 -1.212 -10.109 54 HB1 ALA 7 HB1 ALA 7 3.851 -2.052 -7.419 55 HB2 ALA 7 HB2 ALA 7 2.713 -1.477 -8.638 56 HB3 ALA 7 HB3 ALA 7 3.113 -3.192 -8.544 57 H LYS 8 H LYS 8 7.063 -2.582 -9.864 58 HA LYS 8 HA LYS 8 8.318 -1.985 -7.467 59 HB2 LYS 8 HB2 LYS 8 9.516 -1.772 -10.235 60 HB3 LYS 8 HB3 LYS 8 10.410 -1.955 -8.731 61 HG2 LYS 8 HG2 LYS 8 8.805 -4.106 -8.581 62 HG3 LYS 8 HG3 LYS 8 8.961 -3.955 -10.333 63 HD2 LYS 8 HD2 LYS 8 11.071 -4.688 -10.299 64 HD3 LYS 8 HD3 LYS 8 11.502 -3.614 -8.965 65 HE2 LYS 8 HE2 LYS 8 11.171 -5.212 -7.403 66 HE3 LYS 8 HE3 LYS 8 9.798 -5.913 -8.259 67 HZ1 LYS 8 HZ1 LYS 8 11.345 -7.553 -8.504 68 HZ2 LYS 8 HZ2 LYS 8 12.658 -6.489 -8.548 69 HZ3 LYS 8 HZ3 LYS 8 11.663 -6.660 -9.905 70 H LYS 9 H LYS 9 7.240 0.135 -9.978 71 HA LYS 9 HA LYS 9 7.476 2.449 -8.429 72 HB2 LYS 9 HB2 LYS 9 9.280 3.605 -9.766 73 HB3 LYS 9 HB3 LYS 9 9.840 2.356 -8.662 74 HG2 LYS 9 HG2 LYS 9 10.879 1.354 -10.334 75 HG3 LYS 9 HG3 LYS 9 9.334 1.119 -11.155 76 HD2 LYS 9 HD2 LYS 9 10.492 2.322 -12.736 77 HD3 LYS 9 HD3 LYS 9 9.677 3.620 -11.860 78 HE2 LYS 9 HE2 LYS 9 11.840 4.415 -11.982 79 HE3 LYS 9 HE3 LYS 9 11.834 3.625 -10.406 80 HZ1 LYS 9 HZ1 LYS 9 12.819 2.384 -12.917 81 HZ2 LYS 9 HZ2 LYS 9 12.891 1.707 -11.369 82 HZ3 LYS 9 HZ3 LYS 9 13.806 3.082 -11.734 83 H LEU 10 H LEU 10 5.533 1.284 -10.053 84 HA LEU 10 HA LEU 10 5.046 3.480 -11.910 85 HB2 LEU 10 HB2 LEU 10 4.350 1.969 -13.695 86 HB3 LEU 10 HB3 LEU 10 6.055 1.769 -13.296 87 HG LEU 10 HG LEU 10 4.148 -0.080 -11.983 88 HD11 LEU 10 HD11 LEU 10 4.994 -0.849 -14.710 89 HD12 LEU 10 HD12 LEU 10 3.657 0.293 -14.580 90 HD13 LEU 10 HD13 LEU 10 3.546 -1.285 -13.802 91 HD21 LEU 10 HD21 LEU 10 5.984 -1.333 -11.713 92 HD22 LEU 10 HD22 LEU 10 6.864 0.136 -12.135 93 HD23 LEU 10 HD23 LEU 10 6.524 -1.074 -13.372 94 H GLU 11 H GLU 11 4.020 2.216 -9.299 95 HA GLU 11 HA GLU 11 1.501 1.130 -9.591 96 HB2 GLU 11 HB2 GLU 11 2.614 1.317 -7.428 97 HB3 GLU 11 HB3 GLU 11 2.459 3.068 -7.478 98 HG2 GLU 11 HG2 GLU 11 -0.131 2.169 -7.811 99 HG3 GLU 11 HG3 GLU 11 0.557 1.057 -6.629 100 H ASN 12 H ASN 12 1.901 4.531 -8.634 101 HA ASN 12 HA ASN 12 0.446 5.649 -10.758 102 HB2 ASN 12 HB2 ASN 12 -1.152 4.496 -8.599 103 HB3 ASN 12 HB3 ASN 12 -1.502 6.200 -8.874 104 HD21 ASN 12 HD21 ASN 12 -2.513 3.247 -9.628 105 HD22 ASN 12 HD22 ASN 12 -3.162 3.520 -11.206 106 H SER 13 H SER 13 0.064 6.273 -7.281 107 HA SER 13 HA SER 13 1.523 8.805 -7.670 108 HB2 SER 13 HB2 SER 13 -0.795 9.309 -7.267 109 HB3 SER 13 HB3 SER 13 -0.851 8.202 -5.895 110 HG SER 13 HG SER 13 0.253 10.759 -6.086 111 H ALA 14 H ALA 14 1.120 5.942 -5.767 112 HA ALA 14 HA ALA 14 2.549 6.750 -3.463 113 HB1 ALA 14 HB1 ALA 14 2.411 3.925 -4.476 114 HB2 ALA 14 HB2 ALA 14 2.512 4.494 -2.809 115 HB3 ALA 14 HB3 ALA 14 1.027 4.727 -3.732 116 H LYS 15 H LYS 15 3.565 6.148 -6.626 117 HA LYS 15 HA LYS 15 6.240 5.276 -5.903 118 HB2 LYS 15 HB2 LYS 15 6.634 4.994 -8.218 119 HB3 LYS 15 HB3 LYS 15 4.977 4.466 -7.955 120 HG2 LYS 15 HG2 LYS 15 4.629 5.740 -9.786 121 HG3 LYS 15 HG3 LYS 15 4.494 7.012 -8.569 122 HD2 LYS 15 HD2 LYS 15 7.233 6.768 -9.152 123 HD3 LYS 15 HD3 LYS 15 6.394 6.732 -10.704 124 HE2 LYS 15 HE2 LYS 15 5.249 8.748 -9.013 125 HE3 LYS 15 HE3 LYS 15 6.994 8.972 -9.115 126 HZ1 LYS 15 HZ1 LYS 15 6.205 10.154 -10.916 127 HZ2 LYS 15 HZ2 LYS 15 4.995 9.029 -11.278 128 HZ3 LYS 15 HZ3 LYS 15 6.612 8.673 -11.625 129 H LYS 16 H LYS 16 4.554 8.197 -6.497 130 HA LYS 16 HA LYS 16 6.851 9.745 -7.277 131 HB2 LYS 16 HB2 LYS 16 4.079 10.105 -7.346 132 HB3 LYS 16 HB3 LYS 16 4.658 11.305 -6.198 133 HG2 LYS 16 HG2 LYS 16 5.893 12.426 -7.785 134 HG3 LYS 16 HG3 LYS 16 6.014 11.016 -8.840 135 HD2 LYS 16 HD2 LYS 16 3.346 12.255 -8.296 136 HD3 LYS 16 HD3 LYS 16 4.431 12.981 -9.484 137 HE2 LYS 16 HE2 LYS 16 4.395 11.075 -10.846 138 HE3 LYS 16 HE3 LYS 16 3.754 10.058 -9.556 139 HZ1 LYS 16 HZ1 LYS 16 2.271 11.122 -11.510 140 HZ2 LYS 16 HZ2 LYS 16 2.073 12.292 -10.305 141 HZ3 LYS 16 HZ3 LYS 16 1.660 10.681 -9.995 142 H ARG 17 H ARG 17 5.161 8.999 -4.303 143 HA ARG 17 HA ARG 17 6.427 10.994 -2.713 144 HB2 ARG 17 HB2 ARG 17 5.405 9.949 -0.848 145 HB3 ARG 17 HB3 ARG 17 4.266 9.785 -2.177 146 HG2 ARG 17 HG2 ARG 17 5.560 7.477 -2.471 147 HG3 ARG 17 HG3 ARG 17 5.822 7.722 -0.743 148 HD2 ARG 17 HD2 ARG 17 3.078 8.204 -1.697 149 HD3 ARG 17 HD3 ARG 17 3.634 6.534 -1.796 150 HE ARG 17 HE ARG 17 4.275 7.491 0.740 151 HH11 ARG 17 HH11 ARG 17 1.443 6.794 -1.161 152 HH12 ARG 17 HH12 ARG 17 0.455 6.416 0.211 153 HH21 ARG 17 HH21 ARG 17 2.984 6.996 2.555 154 HH22 ARG 17 HH22 ARG 17 1.333 6.532 2.324 155 H ILE 18 H ILE 18 7.196 7.694 -3.600 156 HA ILE 18 HA ILE 18 9.377 7.495 -1.717 157 HB ILE 18 HB ILE 18 9.800 5.320 -2.645 158 HG12 ILE 18 HG12 ILE 18 7.814 6.067 -4.803 159 HG13 ILE 18 HG13 ILE 18 9.551 5.882 -5.019 160 HG21 ILE 18 HG21 ILE 18 6.821 5.769 -2.507 161 HG22 ILE 18 HG22 ILE 18 7.666 4.242 -2.259 162 HG23 ILE 18 HG23 ILE 18 7.886 5.567 -1.116 163 HD11 ILE 18 HD11 ILE 18 9.059 3.476 -4.067 164 HD12 ILE 18 HD12 ILE 18 7.447 3.822 -4.693 165 HD13 ILE 18 HD13 ILE 18 8.840 3.863 -5.773 166 H SER 19 H SER 19 8.914 8.481 -5.002 167 HA SER 19 HA SER 19 11.537 8.122 -5.966 168 HB2 SER 19 HB2 SER 19 10.701 8.992 -7.870 169 HB3 SER 19 HB3 SER 19 9.149 9.009 -7.033 170 HG SER 19 HG SER 19 10.551 11.075 -7.922 171 H GLU 20 H GLU 20 10.284 10.263 -3.659 172 HA GLU 20 HA GLU 20 12.247 12.349 -4.091 173 HB2 GLU 20 HB2 GLU 20 9.755 12.309 -2.935 174 HB3 GLU 20 HB3 GLU 20 10.813 12.348 -1.532 175 HG2 GLU 20 HG2 GLU 20 11.982 14.298 -2.727 176 HG3 GLU 20 HG3 GLU 20 10.534 14.355 -3.732 177 H GLY 21 H GLY 21 11.580 9.854 -1.648 178 HA2 GLY 21 HA2 GLY 21 13.973 10.474 -0.164 179 HA3 GLY 21 HA3 GLY 21 12.869 9.142 0.142 180 H ILE 22 H ILE 22 12.996 8.046 -2.518 181 HA ILE 22 HA ILE 22 15.339 6.439 -2.201 182 HB ILE 22 HB ILE 22 13.359 6.534 -4.480 183 HG12 ILE 22 HG12 ILE 22 13.560 4.600 -2.163 184 HG13 ILE 22 HG13 ILE 22 12.411 5.930 -2.253 185 HG21 ILE 22 HG21 ILE 22 15.833 5.046 -4.074 186 HG22 ILE 22 HG22 ILE 22 14.446 4.016 -4.425 187 HG23 ILE 22 HG23 ILE 22 14.893 5.304 -5.544 188 HD11 ILE 22 HD11 ILE 22 11.530 4.892 -4.355 189 HD12 ILE 22 HD12 ILE 22 12.544 3.493 -4.001 190 HD13 ILE 22 HD13 ILE 22 11.265 3.960 -2.881 191 H ALA 23 H ALA 23 14.582 9.306 -3.943 192 HA ALA 23 HA ALA 23 16.555 9.060 -5.987 193 HB1 ALA 23 HB1 ALA 23 14.820 10.540 -6.484 194 HB2 ALA 23 HB2 ALA 23 14.941 11.353 -4.923 195 HB3 ALA 23 HB3 ALA 23 16.193 11.592 -6.142 196 H ILE 24 H ILE 24 16.498 10.462 -2.756 197 HA ILE 24 HA ILE 24 19.206 11.483 -3.039 198 HB ILE 24 HB ILE 24 18.926 12.284 -0.722 199 HG12 ILE 24 HG12 ILE 24 16.142 11.121 -0.950 200 HG13 ILE 24 HG13 ILE 24 17.433 10.465 0.050 201 HG21 ILE 24 HG21 ILE 24 18.011 14.122 -1.571 202 HG22 ILE 24 HG22 ILE 24 17.652 13.197 -3.028 203 HG23 ILE 24 HG23 ILE 24 16.446 13.330 -1.749 204 HD11 ILE 24 HD11 ILE 24 17.340 13.040 0.906 205 HD12 ILE 24 HD12 ILE 24 15.647 12.724 0.525 206 HD13 ILE 24 HD13 ILE 24 16.503 11.687 1.666 207 H ALA 25 H ALA 25 17.526 8.773 -1.646 208 HA ALA 25 HA ALA 25 19.507 7.902 0.158 209 HB1 ALA 25 HB1 ALA 25 18.296 5.901 0.326 210 HB2 ALA 25 HB2 ALA 25 17.083 7.133 -0.022 211 HB3 ALA 25 HB3 ALA 25 17.641 6.059 -1.304 212 H ILE 26 H ILE 26 19.070 7.429 -3.291 213 HA ILE 26 HA ILE 26 21.327 5.582 -3.405 214 HB ILE 26 HB ILE 26 19.581 6.581 -5.657 215 HG12 ILE 26 HG12 ILE 26 18.209 5.333 -4.125 216 HG13 ILE 26 HG13 ILE 26 18.555 4.297 -5.505 217 HG21 ILE 26 HG21 ILE 26 21.800 4.591 -5.475 218 HG22 ILE 26 HG22 ILE 26 20.511 4.363 -6.656 219 HG23 ILE 26 HG23 ILE 26 21.496 5.825 -6.698 220 HD11 ILE 26 HD11 ILE 26 20.288 3.163 -4.207 221 HD12 ILE 26 HD12 ILE 26 19.913 4.191 -2.823 222 HD13 ILE 26 HD13 ILE 26 18.707 3.059 -3.434 223 H GLN 27 H GLN 27 20.532 8.893 -4.031 224 HA GLN 27 HA GLN 27 22.491 9.607 -5.869 225 HB2 GLN 27 HB2 GLN 27 20.705 11.125 -5.194 226 HB3 GLN 27 HB3 GLN 27 21.377 11.224 -3.571 227 HG2 GLN 27 HG2 GLN 27 23.239 12.450 -4.298 228 HG3 GLN 27 HG3 GLN 27 22.942 12.053 -5.990 229 HE21 GLN 27 HE21 GLN 27 23.107 14.355 -6.330 230 HE22 GLN 27 HE22 GLN 27 21.728 15.359 -6.054 231 H GLY 28 H GLY 28 22.771 8.785 -2.519 232 HA2 GLY 28 HA2 GLY 28 25.659 9.382 -2.670 233 HA3 GLY 28 HA3 GLY 28 24.726 9.742 -1.225 234 H GLY 29 H GLY 29 24.033 6.876 -3.059 235 HA2 GLY 29 HA2 GLY 29 25.053 5.278 -0.808 236 HA3 GLY 29 HA3 GLY 29 23.799 4.773 -1.931 237 HA PRO 30 HA PRO 30 27.774 2.730 -3.168 238 HB2 PRO 30 HB2 PRO 30 26.683 0.263 -3.479 239 HB3 PRO 30 HB3 PRO 30 27.287 0.858 -1.928 240 HG2 PRO 30 HG2 PRO 30 24.476 0.751 -2.951 241 HG3 PRO 30 HG3 PRO 30 25.096 0.345 -1.340 242 HD2 PRO 30 HD2 PRO 30 23.883 2.704 -1.881 243 HD3 PRO 30 HD3 PRO 30 25.178 2.551 -0.677 244 H ARG 31 H ARG 31 24.653 3.193 -4.496 245 HA ARG 31 HA ARG 31 25.510 2.230 -7.134 246 HB2 ARG 31 HB2 ARG 31 23.202 1.705 -5.908 247 HB3 ARG 31 HB3 ARG 31 22.745 3.226 -6.662 248 HG2 ARG 31 HG2 ARG 31 22.084 1.583 -8.181 249 HG3 ARG 31 HG3 ARG 31 23.595 2.213 -8.838 250 HD2 ARG 31 HD2 ARG 31 24.803 0.324 -7.843 251 HD3 ARG 31 HD3 ARG 31 23.282 -0.308 -7.212 252 HE ARG 31 HE ARG 31 22.995 0.014 -9.966 253 HH11 ARG 31 HH11 ARG 31 24.848 -1.900 -7.725 254 HH12 ARG 31 HH12 ARG 31 24.995 -3.252 -8.799 255 HH21 ARG 31 HH21 ARG 31 23.182 -1.759 -11.389 256 HH22 ARG 31 HH22 ARG 31 24.048 -3.170 -10.883 Start of MODEL 5 1 H1 SER 1 H SER 1 -8.126 -10.077 -2.722 2 HA SER 1 HA SER 1 -5.316 -9.989 -3.114 3 HB2 SER 1 HB2 SER 1 -6.542 -11.297 -0.712 4 HB3 SER 1 HB3 SER 1 -5.130 -10.246 -0.812 5 HG SER 1 HG SER 1 -6.747 -8.576 -1.445 6 H TRP 2 H TRP 2 -4.430 -11.497 -4.406 7 HA TRP 2 HA TRP 2 -4.198 -14.172 -3.454 8 HB2 TRP 2 HB2 TRP 2 -6.356 -13.628 -5.249 9 HB3 TRP 2 HB3 TRP 2 -5.164 -14.616 -6.090 10 HD1 TRP 2 HD1 TRP 2 -8.097 -14.980 -3.963 11 HE1 TRP 2 HE1 TRP 2 -8.216 -17.331 -2.924 12 HE3 TRP 2 HE3 TRP 2 -3.324 -16.537 -4.929 13 HZ2 TRP 2 HZ2 TRP 2 -6.512 -19.552 -2.561 14 HZ3 TRP 2 HZ3 TRP 2 -2.648 -18.788 -4.203 15 HH2 TRP 2 HH2 TRP 2 -4.210 -20.263 -3.042 16 H LEU 3 H LEU 3 -4.104 -12.494 -6.605 17 HA LEU 3 HA LEU 3 -1.557 -13.705 -7.231 18 HB2 LEU 3 HB2 LEU 3 -3.674 -12.711 -8.712 19 HB3 LEU 3 HB3 LEU 3 -2.390 -11.532 -8.967 20 HG LEU 3 HG LEU 3 -2.292 -13.105 -10.748 21 HD11 LEU 3 HD11 LEU 3 -0.059 -13.793 -10.623 22 HD12 LEU 3 HD12 LEU 3 -0.132 -14.017 -8.876 23 HD13 LEU 3 HD13 LEU 3 -0.152 -12.391 -9.558 24 HD21 LEU 3 HD21 LEU 3 -3.469 -14.979 -10.060 25 HD22 LEU 3 HD22 LEU 3 -2.549 -15.135 -8.563 26 HD23 LEU 3 HD23 LEU 3 -1.806 -15.564 -10.105 27 H SER 4 H SER 4 -2.743 -10.673 -6.015 28 HA SER 4 HA SER 4 -1.715 -8.761 -5.328 29 HB2 SER 4 HB2 SER 4 0.717 -10.545 -5.062 30 HB3 SER 4 HB3 SER 4 0.446 -9.009 -4.239 31 HG SER 4 HG SER 4 -1.313 -9.977 -3.162 32 H LYS 5 H LYS 5 -1.871 -7.731 -7.356 33 HA LYS 5 HA LYS 5 0.172 -7.971 -9.338 34 HB2 LYS 5 HB2 LYS 5 -0.958 -6.079 -10.423 35 HB3 LYS 5 HB3 LYS 5 -2.102 -7.327 -9.948 36 HG2 LYS 5 HG2 LYS 5 -2.258 -5.801 -7.776 37 HG3 LYS 5 HG3 LYS 5 -1.772 -4.565 -8.939 38 HD2 LYS 5 HD2 LYS 5 -4.117 -6.437 -9.266 39 HD3 LYS 5 HD3 LYS 5 -4.223 -4.759 -8.727 40 HE2 LYS 5 HE2 LYS 5 -2.817 -4.438 -11.000 41 HE3 LYS 5 HE3 LYS 5 -3.757 -5.868 -11.423 42 HZ1 LYS 5 HZ1 LYS 5 -5.195 -3.653 -10.184 43 HZ2 LYS 5 HZ2 LYS 5 -5.691 -4.719 -11.400 44 HZ3 LYS 5 HZ3 LYS 5 -4.667 -3.426 -11.776 45 H THR 6 H THR 6 1.947 -6.740 -9.696 46 HA THR 6 HA THR 6 2.416 -4.425 -7.951 47 HB THR 6 HB THR 6 4.925 -5.361 -8.068 48 HG1 THR 6 HG1 THR 6 4.993 -7.430 -8.483 49 HG21 THR 6 HG21 THR 6 3.826 -6.747 -5.882 50 HG22 THR 6 HG22 THR 6 2.807 -5.328 -6.127 51 HG23 THR 6 HG23 THR 6 4.543 -5.136 -5.884 52 H ALA 7 H ALA 7 2.027 -3.073 -9.732 53 HA ALA 7 HA ALA 7 2.622 -1.782 -11.510 54 HB1 ALA 7 HB1 ALA 7 4.845 -1.287 -11.793 55 HB2 ALA 7 HB2 ALA 7 4.867 -1.996 -10.178 56 HB3 ALA 7 HB3 ALA 7 5.359 -2.959 -11.571 57 H LYS 8 H LYS 8 1.809 -4.709 -11.771 58 HA LYS 8 HA LYS 8 3.015 -5.926 -13.952 59 HB2 LYS 8 HB2 LYS 8 0.094 -5.962 -13.169 60 HB3 LYS 8 HB3 LYS 8 0.854 -7.091 -14.283 61 HG2 LYS 8 HG2 LYS 8 2.184 -6.904 -11.685 62 HG3 LYS 8 HG3 LYS 8 0.523 -7.497 -11.612 63 HD2 LYS 8 HD2 LYS 8 1.039 -9.230 -13.225 64 HD3 LYS 8 HD3 LYS 8 2.678 -8.603 -13.414 65 HE2 LYS 8 HE2 LYS 8 3.358 -9.389 -11.365 66 HE3 LYS 8 HE3 LYS 8 1.729 -9.357 -10.692 67 HZ1 LYS 8 HZ1 LYS 8 1.673 -11.527 -11.078 68 HZ2 LYS 8 HZ2 LYS 8 3.103 -11.491 -11.981 69 HZ3 LYS 8 HZ3 LYS 8 1.620 -11.183 -12.734 70 H LYS 9 H LYS 9 0.940 -3.164 -13.833 71 HA LYS 9 HA LYS 9 1.499 -2.352 -16.446 72 HB2 LYS 9 HB2 LYS 9 -0.859 -2.638 -17.383 73 HB3 LYS 9 HB3 LYS 9 0.158 -4.072 -17.335 74 HG2 LYS 9 HG2 LYS 9 -1.187 -5.130 -15.891 75 HG3 LYS 9 HG3 LYS 9 -1.488 -3.671 -14.944 76 HD2 LYS 9 HD2 LYS 9 -3.559 -3.840 -15.822 77 HD3 LYS 9 HD3 LYS 9 -2.812 -3.064 -17.221 78 HE2 LYS 9 HE2 LYS 9 -2.503 -5.166 -18.310 79 HE3 LYS 9 HE3 LYS 9 -2.976 -6.050 -16.861 80 HZ1 LYS 9 HZ1 LYS 9 -5.115 -4.467 -17.327 81 HZ2 LYS 9 HZ2 LYS 9 -4.986 -6.087 -17.793 82 HZ3 LYS 9 HZ3 LYS 9 -4.619 -4.859 -18.897 83 H LEU 10 H LEU 10 1.433 -1.168 -13.925 84 HA LEU 10 HA LEU 10 -0.380 1.044 -14.458 85 HB2 LEU 10 HB2 LEU 10 -1.045 1.077 -12.021 86 HB3 LEU 10 HB3 LEU 10 -1.778 -0.175 -13.022 87 HG LEU 10 HG LEU 10 0.647 -1.078 -11.682 88 HD11 LEU 10 HD11 LEU 10 -0.822 -1.266 -9.494 89 HD12 LEU 10 HD12 LEU 10 -1.506 0.236 -10.114 90 HD13 LEU 10 HD13 LEU 10 0.224 0.123 -9.792 91 HD21 LEU 10 HD21 LEU 10 -1.274 -2.731 -10.873 92 HD22 LEU 10 HD22 LEU 10 -0.567 -2.821 -12.487 93 HD23 LEU 10 HD23 LEU 10 -2.112 -2.003 -12.244 94 H GLU 11 H GLU 11 2.245 1.187 -14.893 95 HA GLU 11 HA GLU 11 3.096 3.338 -13.333 96 HB2 GLU 11 HB2 GLU 11 3.679 0.758 -12.180 97 HB3 GLU 11 HB3 GLU 11 5.171 1.599 -12.578 98 HG2 GLU 11 HG2 GLU 11 3.892 3.602 -11.386 99 HG3 GLU 11 HG3 GLU 11 3.097 2.254 -10.575 100 H ASN 12 H ASN 12 3.773 4.291 -15.182 101 HA ASN 12 HA ASN 12 5.812 2.893 -16.778 102 HB2 ASN 12 HB2 ASN 12 3.480 4.119 -17.609 103 HB3 ASN 12 HB3 ASN 12 4.704 5.342 -17.934 104 HD21 ASN 12 HD21 ASN 12 4.019 1.903 -18.395 105 HD22 ASN 12 HD22 ASN 12 4.792 1.776 -19.934 106 H SER 13 H SER 13 7.811 3.474 -16.261 107 HA SER 13 HA SER 13 9.644 4.740 -15.802 108 HB2 SER 13 HB2 SER 13 9.851 6.680 -16.973 109 HB3 SER 13 HB3 SER 13 8.315 6.175 -17.678 110 HG SER 13 HG SER 13 7.243 7.516 -16.252 111 H ALA 14 H ALA 14 7.207 4.464 -13.923 112 HA ALA 14 HA ALA 14 7.351 6.742 -12.195 113 HB1 ALA 14 HB1 ALA 14 6.120 5.107 -10.611 114 HB2 ALA 14 HB2 ALA 14 5.307 5.656 -12.077 115 HB3 ALA 14 HB3 ALA 14 6.045 4.055 -12.025 116 H LYS 15 H LYS 15 8.955 3.643 -12.388 117 HA LYS 15 HA LYS 15 10.167 3.911 -9.770 118 HB2 LYS 15 HB2 LYS 15 11.084 1.765 -10.121 119 HB3 LYS 15 HB3 LYS 15 9.482 1.706 -10.844 120 HG2 LYS 15 HG2 LYS 15 11.850 2.375 -12.533 121 HG3 LYS 15 HG3 LYS 15 11.511 0.697 -12.105 122 HD2 LYS 15 HD2 LYS 15 10.069 0.629 -13.798 123 HD3 LYS 15 HD3 LYS 15 9.059 1.777 -12.916 124 HE2 LYS 15 HE2 LYS 15 9.758 3.556 -14.159 125 HE3 LYS 15 HE3 LYS 15 11.351 2.862 -14.457 126 HZ1 LYS 15 HZ1 LYS 15 9.991 2.943 -16.466 127 HZ2 LYS 15 HZ2 LYS 15 8.826 1.959 -15.736 128 HZ3 LYS 15 HZ3 LYS 15 10.373 1.349 -16.048 129 H LYS 16 H LYS 16 10.889 4.733 -13.032 130 HA LYS 16 HA LYS 16 13.743 4.968 -12.594 131 HB2 LYS 16 HB2 LYS 16 12.045 4.769 -14.852 132 HB3 LYS 16 HB3 LYS 16 12.864 6.322 -14.966 133 HG2 LYS 16 HG2 LYS 16 14.171 4.716 -16.134 134 HG3 LYS 16 HG3 LYS 16 15.027 5.124 -14.646 135 HD2 LYS 16 HD2 LYS 16 13.549 3.023 -13.805 136 HD3 LYS 16 HD3 LYS 16 13.800 2.582 -15.495 137 HE2 LYS 16 HE2 LYS 16 16.284 3.479 -14.617 138 HE3 LYS 16 HE3 LYS 16 15.652 2.530 -13.272 139 HZ1 LYS 16 HZ1 LYS 16 16.926 1.494 -15.387 140 HZ2 LYS 16 HZ2 LYS 16 15.317 1.319 -15.876 141 HZ3 LYS 16 HZ3 LYS 16 15.838 0.632 -14.421 142 H ARG 17 H ARG 17 10.916 7.018 -12.614 143 HA ARG 17 HA ARG 17 12.373 9.487 -12.651 144 HB2 ARG 17 HB2 ARG 17 10.289 10.558 -12.458 145 HB3 ARG 17 HB3 ARG 17 9.954 9.108 -13.396 146 HG2 ARG 17 HG2 ARG 17 9.294 8.033 -11.180 147 HG3 ARG 17 HG3 ARG 17 9.292 9.673 -10.528 148 HD2 ARG 17 HD2 ARG 17 7.628 8.623 -12.813 149 HD3 ARG 17 HD3 ARG 17 7.056 9.078 -11.208 150 HE ARG 17 HE ARG 17 8.198 11.352 -12.111 151 HH11 ARG 17 HH11 ARG 17 5.845 9.172 -13.464 152 HH12 ARG 17 HH12 ARG 17 5.034 10.404 -14.373 153 HH21 ARG 17 HH21 ARG 17 7.139 12.983 -13.303 154 HH22 ARG 17 HH22 ARG 17 5.771 12.571 -14.281 155 H ILE 18 H ILE 18 11.330 7.248 -10.224 156 HA ILE 18 HA ILE 18 11.715 9.131 -8.048 157 HB ILE 18 HB ILE 18 11.099 7.310 -6.570 158 HG12 ILE 18 HG12 ILE 18 11.003 5.575 -9.047 159 HG13 ILE 18 HG13 ILE 18 12.266 5.509 -7.822 160 HG21 ILE 18 HG21 ILE 18 8.927 6.637 -8.114 161 HG22 ILE 18 HG22 ILE 18 9.069 8.072 -7.100 162 HG23 ILE 18 HG23 ILE 18 9.458 8.165 -8.817 163 HD11 ILE 18 HD11 ILE 18 10.236 5.107 -6.213 164 HD12 ILE 18 HD12 ILE 18 9.451 4.573 -7.700 165 HD13 ILE 18 HD13 ILE 18 10.932 3.787 -7.153 166 H SER 19 H SER 19 13.460 6.612 -9.685 167 HA SER 19 HA SER 19 15.380 6.046 -7.698 168 HB2 SER 19 HB2 SER 19 16.286 4.657 -9.248 169 HB3 SER 19 HB3 SER 19 14.813 5.009 -10.151 170 HG SER 19 HG SER 19 16.180 5.673 -11.610 171 H GLU 20 H GLU 20 14.867 8.815 -9.569 172 HA GLU 20 HA GLU 20 17.631 9.682 -9.593 173 HB2 GLU 20 HB2 GLU 20 15.463 10.270 -11.166 174 HB3 GLU 20 HB3 GLU 20 15.563 11.693 -10.139 175 HG2 GLU 20 HG2 GLU 20 18.179 11.236 -10.924 176 HG3 GLU 20 HG3 GLU 20 17.222 10.896 -12.364 177 H GLY 21 H GLY 21 14.612 10.623 -7.969 178 HA2 GLY 21 HA2 GLY 21 15.947 12.591 -6.337 179 HA3 GLY 21 HA3 GLY 21 14.265 12.100 -6.216 180 H ILE 22 H ILE 22 14.843 9.277 -5.938 181 HA ILE 22 HA ILE 22 15.258 9.226 -3.106 182 HB ILE 22 HB ILE 22 14.974 6.941 -5.061 183 HG12 ILE 22 HG12 ILE 22 12.934 8.166 -3.193 184 HG13 ILE 22 HG13 ILE 22 13.023 8.487 -4.921 185 HG21 ILE 22 HG21 ILE 22 14.969 7.015 -2.053 186 HG22 ILE 22 HG22 ILE 22 14.342 5.660 -2.991 187 HG23 ILE 22 HG23 ILE 22 16.044 6.104 -3.114 188 HD11 ILE 22 HD11 ILE 22 12.682 6.046 -5.306 189 HD12 ILE 22 HD12 ILE 22 12.383 5.879 -3.576 190 HD13 ILE 22 HD13 ILE 22 11.317 6.879 -4.562 191 H ALA 23 H ALA 23 17.267 8.850 -5.867 192 HA ALA 23 HA ALA 23 19.296 7.248 -4.656 193 HB1 ALA 23 HB1 ALA 23 19.265 7.168 -6.989 194 HB2 ALA 23 HB2 ALA 23 19.177 8.923 -7.141 195 HB3 ALA 23 HB3 ALA 23 20.676 8.157 -6.615 196 H ILE 24 H ILE 24 18.780 10.715 -5.070 197 HA ILE 24 HA ILE 24 21.303 11.339 -3.766 198 HB ILE 24 HB ILE 24 20.741 13.676 -4.167 199 HG12 ILE 24 HG12 ILE 24 18.579 13.858 -5.752 200 HG13 ILE 24 HG13 ILE 24 18.074 12.503 -4.749 201 HG21 ILE 24 HG21 ILE 24 21.146 13.658 -6.433 202 HG22 ILE 24 HG22 ILE 24 21.615 12.019 -5.983 203 HG23 ILE 24 HG23 ILE 24 20.044 12.314 -6.728 204 HD11 ILE 24 HD11 ILE 24 17.436 13.933 -3.195 205 HD12 ILE 24 HD12 ILE 24 19.106 14.471 -3.018 206 HD13 ILE 24 HD13 ILE 24 18.034 15.282 -4.159 207 H ALA 25 H ALA 25 17.918 11.145 -3.022 208 HA ALA 25 HA ALA 25 17.876 12.756 -0.707 209 HB1 ALA 25 HB1 ALA 25 15.753 12.318 -1.400 210 HB2 ALA 25 HB2 ALA 25 16.125 10.656 -1.859 211 HB3 ALA 25 HB3 ALA 25 15.903 11.072 -0.160 212 H ILE 26 H ILE 26 18.818 9.432 -1.269 213 HA ILE 26 HA ILE 26 19.158 8.974 1.601 214 HB ILE 26 HB ILE 26 19.569 7.034 -0.677 215 HG12 ILE 26 HG12 ILE 26 17.249 7.675 -0.636 216 HG13 ILE 26 HG13 ILE 26 17.384 6.080 0.096 217 HG21 ILE 26 HG21 ILE 26 19.971 6.902 2.218 218 HG22 ILE 26 HG22 ILE 26 19.016 5.575 1.559 219 HG23 ILE 26 HG23 ILE 26 20.633 5.894 0.932 220 HD11 ILE 26 HD11 ILE 26 17.104 8.687 1.570 221 HD12 ILE 26 HD12 ILE 26 15.845 7.474 1.336 222 HD13 ILE 26 HD13 ILE 26 17.263 7.097 2.315 223 H GLN 27 H GLN 27 20.962 9.652 -1.263 224 HA GLN 27 HA GLN 27 23.463 8.618 -0.634 225 HB2 GLN 27 HB2 GLN 27 22.941 9.591 -2.814 226 HB3 GLN 27 HB3 GLN 27 22.798 11.185 -2.086 227 HG2 GLN 27 HG2 GLN 27 24.993 11.529 -2.149 228 HG3 GLN 27 HG3 GLN 27 25.350 9.922 -1.518 229 HE21 GLN 27 HE21 GLN 27 24.680 11.779 -4.405 230 HE22 GLN 27 HE22 GLN 27 25.365 10.653 -5.522 231 H GLY 28 H GLY 28 21.760 11.311 0.720 232 HA2 GLY 28 HA2 GLY 28 24.116 11.881 2.408 233 HA3 GLY 28 HA3 GLY 28 23.113 13.173 1.766 234 H GLY 29 H GLY 29 21.622 10.213 2.785 235 HA2 GLY 29 HA2 GLY 29 19.980 11.588 4.671 236 HA3 GLY 29 HA3 GLY 29 20.007 9.854 4.387 237 HA PRO 30 HA PRO 30 22.172 9.114 8.121 238 HB2 PRO 30 HB2 PRO 30 24.113 7.345 7.435 239 HB3 PRO 30 HB3 PRO 30 22.400 6.915 7.496 240 HG2 PRO 30 HG2 PRO 30 24.091 7.625 5.130 241 HG3 PRO 30 HG3 PRO 30 22.884 6.336 5.297 242 HD2 PRO 30 HD2 PRO 30 22.350 8.680 4.049 243 HD3 PRO 30 HD3 PRO 30 21.116 7.774 4.949 244 H ARG 31 H ARG 31 24.090 10.181 5.405 245 HA ARG 31 HA ARG 31 26.426 10.771 6.988 246 HB2 ARG 31 HB2 ARG 31 26.117 10.257 4.372 247 HB3 ARG 31 HB3 ARG 31 26.066 12.014 4.317 248 HG2 ARG 31 HG2 ARG 31 28.232 11.608 5.895 249 HG3 ARG 31 HG3 ARG 31 28.312 10.203 4.831 250 HD2 ARG 31 HD2 ARG 31 29.578 12.065 3.905 251 HD3 ARG 31 HD3 ARG 31 28.196 11.675 2.881 252 HE ARG 31 HE ARG 31 27.506 13.707 4.720 253 HH11 ARG 31 HH11 ARG 31 29.363 13.159 1.826 254 HH12 ARG 31 HH12 ARG 31 29.214 14.791 1.265 255 HH21 ARG 31 HH21 ARG 31 27.304 15.859 3.992 256 HH22 ARG 31 HH22 ARG 31 28.044 16.327 2.499 Start of MODEL 6 1 H1 SER 1 H SER 1 -4.868 -12.455 -8.519 2 HA SER 1 HA SER 1 -7.537 -11.492 -8.448 3 HB2 SER 1 HB2 SER 1 -6.439 -13.124 -6.821 4 HB3 SER 1 HB3 SER 1 -5.697 -11.715 -6.065 5 HG SER 1 HG SER 1 -8.449 -11.649 -6.505 6 H TRP 2 H TRP 2 -5.863 -9.577 -9.667 7 HA TRP 2 HA TRP 2 -5.527 -7.329 -9.714 8 HB2 TRP 2 HB2 TRP 2 -7.929 -7.560 -8.604 9 HB3 TRP 2 HB3 TRP 2 -7.084 -6.908 -7.203 10 HD1 TRP 2 HD1 TRP 2 -6.691 -5.867 -10.920 11 HE1 TRP 2 HE1 TRP 2 -7.152 -3.340 -11.086 12 HE3 TRP 2 HE3 TRP 2 -7.988 -4.957 -6.059 13 HZ2 TRP 2 HZ2 TRP 2 -7.958 -1.239 -9.382 14 HZ3 TRP 2 HZ3 TRP 2 -8.590 -2.662 -5.409 15 HH2 TRP 2 HH2 TRP 2 -8.575 -0.843 -7.038 16 H LEU 3 H LEU 3 -3.780 -9.105 -8.153 17 HA LEU 3 HA LEU 3 -2.923 -7.568 -5.866 18 HB2 LEU 3 HB2 LEU 3 -2.310 -10.169 -7.059 19 HB3 LEU 3 HB3 LEU 3 -0.911 -9.352 -6.366 20 HG LEU 3 HG LEU 3 -1.950 -10.922 -4.794 21 HD11 LEU 3 HD11 LEU 3 -1.460 -9.605 -3.048 22 HD12 LEU 3 HD12 LEU 3 -2.634 -8.375 -3.514 23 HD13 LEU 3 HD13 LEU 3 -1.045 -8.412 -4.279 24 HD21 LEU 3 HD21 LEU 3 -4.308 -10.298 -5.806 25 HD22 LEU 3 HD22 LEU 3 -4.308 -9.137 -4.478 26 HD23 LEU 3 HD23 LEU 3 -4.138 -10.861 -4.144 27 H SER 4 H SER 4 -0.467 -7.136 -5.705 28 HA SER 4 HA SER 4 0.879 -6.427 -8.137 29 HB2 SER 4 HB2 SER 4 -0.225 -4.241 -6.361 30 HB3 SER 4 HB3 SER 4 1.017 -3.981 -7.586 31 HG SER 4 HG SER 4 -1.668 -4.793 -7.955 32 H LYS 5 H LYS 5 2.788 -7.267 -7.590 33 HA LYS 5 HA LYS 5 3.994 -6.403 -5.044 34 HB2 LYS 5 HB2 LYS 5 5.227 -8.571 -5.044 35 HB3 LYS 5 HB3 LYS 5 3.487 -8.746 -4.856 36 HG2 LYS 5 HG2 LYS 5 3.951 -10.402 -6.369 37 HG3 LYS 5 HG3 LYS 5 3.523 -9.068 -7.442 38 HD2 LYS 5 HD2 LYS 5 5.720 -8.706 -8.080 39 HD3 LYS 5 HD3 LYS 5 6.373 -9.475 -6.632 40 HE2 LYS 5 HE2 LYS 5 6.423 -11.481 -7.611 41 HE3 LYS 5 HE3 LYS 5 4.780 -11.305 -8.226 42 HZ1 LYS 5 HZ1 LYS 5 7.051 -9.912 -9.503 43 HZ2 LYS 5 HZ2 LYS 5 5.533 -10.276 -10.154 44 HZ3 LYS 5 HZ3 LYS 5 6.664 -11.509 -9.906 45 H THR 6 H THR 6 4.120 -5.379 -7.884 46 HA THR 6 HA THR 6 6.877 -4.722 -7.897 47 HB THR 6 HB THR 6 7.251 -6.922 -8.783 48 HG1 THR 6 HG1 THR 6 8.516 -6.143 -10.295 49 HG21 THR 6 HG21 THR 6 4.713 -6.534 -10.003 50 HG22 THR 6 HG22 THR 6 5.692 -8.000 -9.951 51 HG23 THR 6 HG23 THR 6 5.889 -6.854 -11.277 52 H ALA 7 H ALA 7 6.835 -2.691 -8.577 53 HA ALA 7 HA ALA 7 5.400 -2.009 -11.019 54 HB1 ALA 7 HB1 ALA 7 3.878 -1.644 -9.011 55 HB2 ALA 7 HB2 ALA 7 4.964 -0.325 -8.571 56 HB3 ALA 7 HB3 ALA 7 4.100 -0.279 -10.107 57 H LYS 8 H LYS 8 8.216 -2.165 -9.896 58 HA LYS 8 HA LYS 8 9.340 0.348 -9.551 59 HB2 LYS 8 HB2 LYS 8 10.423 -1.976 -9.342 60 HB3 LYS 8 HB3 LYS 8 10.725 -1.851 -11.070 61 HG2 LYS 8 HG2 LYS 8 12.478 -0.527 -10.757 62 HG3 LYS 8 HG3 LYS 8 11.577 0.528 -9.664 63 HD2 LYS 8 HD2 LYS 8 13.164 -0.271 -8.222 64 HD3 LYS 8 HD3 LYS 8 11.910 -1.493 -7.999 65 HE2 LYS 8 HE2 LYS 8 13.068 -2.851 -9.770 66 HE3 LYS 8 HE3 LYS 8 14.387 -1.684 -9.702 67 HZ1 LYS 8 HZ1 LYS 8 15.038 -3.372 -8.268 68 HZ2 LYS 8 HZ2 LYS 8 13.491 -3.568 -7.613 69 HZ3 LYS 8 HZ3 LYS 8 14.409 -2.203 -7.219 70 H LYS 9 H LYS 9 8.124 -1.155 -12.413 71 HA LYS 9 HA LYS 9 8.106 1.199 -13.914 72 HB2 LYS 9 HB2 LYS 9 10.662 0.257 -13.810 73 HB3 LYS 9 HB3 LYS 9 10.071 -0.532 -15.266 74 HG2 LYS 9 HG2 LYS 9 9.415 2.314 -15.093 75 HG3 LYS 9 HG3 LYS 9 11.144 1.963 -15.161 76 HD2 LYS 9 HD2 LYS 9 9.670 0.349 -17.053 77 HD3 LYS 9 HD3 LYS 9 9.362 2.069 -17.304 78 HE2 LYS 9 HE2 LYS 9 11.239 1.834 -18.578 79 HE3 LYS 9 HE3 LYS 9 11.988 2.209 -17.027 80 HZ1 LYS 9 HZ1 LYS 9 12.718 0.086 -16.758 81 HZ2 LYS 9 HZ2 LYS 9 12.751 0.160 -18.448 82 HZ3 LYS 9 HZ3 LYS 9 11.461 -0.600 -17.660 83 H LEU 10 H LEU 10 6.336 -0.891 -13.356 84 HA LEU 10 HA LEU 10 5.543 -1.596 -16.042 85 HB2 LEU 10 HB2 LEU 10 5.194 -4.032 -15.236 86 HB3 LEU 10 HB3 LEU 10 6.780 -3.521 -15.809 87 HG LEU 10 HG LEU 10 6.453 -3.210 -12.927 88 HD11 LEU 10 HD11 LEU 10 5.903 -5.839 -14.222 89 HD12 LEU 10 HD12 LEU 10 5.172 -5.112 -12.792 90 HD13 LEU 10 HD13 LEU 10 6.798 -5.787 -12.703 91 HD21 LEU 10 HD21 LEU 10 8.641 -3.998 -12.878 92 HD22 LEU 10 HD22 LEU 10 8.550 -3.149 -14.421 93 HD23 LEU 10 HD23 LEU 10 8.451 -4.910 -14.376 94 H GLU 11 H GLU 11 4.011 0.037 -15.041 95 HA GLU 11 HA GLU 11 1.638 -1.360 -14.218 96 HB2 GLU 11 HB2 GLU 11 2.552 -1.141 -12.030 97 HB3 GLU 11 HB3 GLU 11 3.039 0.523 -12.326 98 HG2 GLU 11 HG2 GLU 11 1.082 1.304 -11.646 99 HG3 GLU 11 HG3 GLU 11 0.198 0.192 -12.690 100 H ASN 12 H ASN 12 2.666 2.000 -13.688 101 HA ASN 12 HA ASN 12 1.595 3.104 -16.016 102 HB2 ASN 12 HB2 ASN 12 -0.374 2.477 -13.946 103 HB3 ASN 12 HB3 ASN 12 -0.393 4.173 -14.419 104 HD21 ASN 12 HD21 ASN 12 -2.207 1.795 -14.884 105 HD22 ASN 12 HD22 ASN 12 -2.504 1.823 -16.586 106 H SER 13 H SER 13 1.017 4.153 -12.669 107 HA SER 13 HA SER 13 3.064 6.235 -13.037 108 HB2 SER 13 HB2 SER 13 0.764 7.010 -11.371 109 HB3 SER 13 HB3 SER 13 1.632 7.933 -12.597 110 HG SER 13 HG SER 13 -0.726 6.879 -12.846 111 H ALA 14 H ALA 14 2.272 3.592 -11.367 112 HA ALA 14 HA ALA 14 2.650 4.410 -8.663 113 HB1 ALA 14 HB1 ALA 14 1.598 2.407 -8.649 114 HB2 ALA 14 HB2 ALA 14 2.414 1.842 -10.108 115 HB3 ALA 14 HB3 ALA 14 3.254 1.805 -8.558 116 H LYS 15 H LYS 15 4.768 3.939 -11.285 117 HA LYS 15 HA LYS 15 7.085 3.299 -9.668 118 HB2 LYS 15 HB2 LYS 15 8.319 3.431 -11.802 119 HB3 LYS 15 HB3 LYS 15 6.936 2.349 -11.899 120 HG2 LYS 15 HG2 LYS 15 6.500 3.441 -13.799 121 HG3 LYS 15 HG3 LYS 15 5.830 4.679 -12.734 122 HD2 LYS 15 HD2 LYS 15 8.700 4.951 -13.030 123 HD3 LYS 15 HD3 LYS 15 7.873 5.008 -14.588 124 HE2 LYS 15 HE2 LYS 15 6.276 6.587 -13.032 125 HE3 LYS 15 HE3 LYS 15 7.877 6.932 -12.379 126 HZ1 LYS 15 HZ1 LYS 15 8.346 8.160 -14.145 127 HZ2 LYS 15 HZ2 LYS 15 6.748 7.980 -14.669 128 HZ3 LYS 15 HZ3 LYS 15 7.942 6.910 -15.211 129 H LYS 16 H LYS 16 5.414 6.089 -10.628 130 HA LYS 16 HA LYS 16 7.696 7.860 -10.604 131 HB2 LYS 16 HB2 LYS 16 5.448 8.121 -11.904 132 HB3 LYS 16 HB3 LYS 16 4.848 8.780 -10.387 133 HG2 LYS 16 HG2 LYS 16 5.527 10.613 -11.716 134 HG3 LYS 16 HG3 LYS 16 6.751 10.416 -10.460 135 HD2 LYS 16 HD2 LYS 16 7.912 8.919 -12.284 136 HD3 LYS 16 HD3 LYS 16 6.923 9.877 -13.388 137 HE2 LYS 16 HE2 LYS 16 8.383 11.390 -11.320 138 HE3 LYS 16 HE3 LYS 16 9.380 10.605 -12.543 139 HZ1 LYS 16 HZ1 LYS 16 7.056 12.256 -13.308 140 HZ2 LYS 16 HZ2 LYS 16 8.405 11.832 -14.236 141 HZ3 LYS 16 HZ3 LYS 16 8.559 12.966 -12.991 142 H ARG 17 H ARG 17 5.175 6.838 -8.393 143 HA ARG 17 HA ARG 17 5.643 8.831 -6.421 144 HB2 ARG 17 HB2 ARG 17 4.184 7.585 -5.025 145 HB3 ARG 17 HB3 ARG 17 3.565 7.405 -6.661 146 HG2 ARG 17 HG2 ARG 17 5.181 5.251 -6.515 147 HG3 ARG 17 HG3 ARG 17 4.683 5.400 -4.829 148 HD2 ARG 17 HD2 ARG 17 2.507 5.713 -6.765 149 HD3 ARG 17 HD3 ARG 17 3.268 4.123 -6.783 150 HE ARG 17 HE ARG 17 2.718 4.883 -4.126 151 HH11 ARG 17 HH11 ARG 17 1.111 3.865 -7.042 152 HH12 ARG 17 HH12 ARG 17 -0.228 3.148 -6.209 153 HH21 ARG 17 HH21 ARG 17 0.960 3.942 -3.018 154 HH22 ARG 17 HH22 ARG 17 -0.314 3.194 -3.920 155 H ILE 18 H ILE 18 7.063 5.724 -7.131 156 HA ILE 18 HA ILE 18 8.504 5.619 -4.616 157 HB ILE 18 HB ILE 18 9.338 3.514 -5.299 158 HG12 ILE 18 HG12 ILE 18 8.421 4.238 -8.090 159 HG13 ILE 18 HG13 ILE 18 10.087 4.094 -7.541 160 HG21 ILE 18 HG21 ILE 18 6.541 3.782 -6.394 161 HG22 ILE 18 HG22 ILE 18 7.321 2.279 -5.902 162 HG23 ILE 18 HG23 ILE 18 6.969 3.524 -4.703 163 HD11 ILE 18 HD11 ILE 18 8.069 1.936 -8.006 164 HD12 ILE 18 HD12 ILE 18 9.688 2.114 -8.683 165 HD13 ILE 18 HD13 ILE 18 9.485 1.667 -6.990 166 H SER 19 H SER 19 9.018 6.683 -7.871 167 HA SER 19 HA SER 19 11.835 6.611 -7.936 168 HB2 SER 19 HB2 SER 19 11.372 7.198 -10.048 169 HB3 SER 19 HB3 SER 19 9.710 7.588 -9.605 170 HG SER 19 HG SER 19 10.782 9.409 -10.444 171 H GLU 20 H GLU 20 9.695 8.535 -6.151 172 HA GLU 20 HA GLU 20 11.474 10.812 -5.917 173 HB2 GLU 20 HB2 GLU 20 8.758 10.510 -5.654 174 HB3 GLU 20 HB3 GLU 20 9.283 10.592 -3.978 175 HG2 GLU 20 HG2 GLU 20 10.588 12.680 -4.705 176 HG3 GLU 20 HG3 GLU 20 9.559 12.646 -6.135 177 H GLY 21 H GLY 21 10.375 8.106 -3.911 178 HA2 GLY 21 HA2 GLY 21 12.035 8.921 -1.684 179 HA3 GLY 21 HA3 GLY 21 11.043 7.473 -1.775 180 H ILE 22 H ILE 22 12.158 6.522 -4.257 181 HA ILE 22 HA ILE 22 14.437 5.156 -3.191 182 HB ILE 22 HB ILE 22 12.713 4.190 -4.804 183 HG12 ILE 22 HG12 ILE 22 15.655 3.888 -5.450 184 HG13 ILE 22 HG13 ILE 22 14.783 3.024 -4.188 185 HG21 ILE 22 HG21 ILE 22 13.010 6.198 -6.373 186 HG22 ILE 22 HG22 ILE 22 14.453 5.363 -6.945 187 HG23 ILE 22 HG23 ILE 22 12.873 4.596 -7.097 188 HD11 ILE 22 HD11 ILE 22 13.284 2.234 -6.166 189 HD12 ILE 22 HD12 ILE 22 14.687 2.672 -7.141 190 HD13 ILE 22 HD13 ILE 22 14.843 1.466 -5.863 191 H ALA 23 H ALA 23 13.960 7.994 -5.058 192 HA ALA 23 HA ALA 23 16.469 8.037 -6.403 193 HB1 ALA 23 HB1 ALA 23 14.836 9.388 -7.370 194 HB2 ALA 23 HB2 ALA 23 14.384 10.111 -5.826 195 HB3 ALA 23 HB3 ALA 23 15.918 10.538 -6.585 196 H ILE 24 H ILE 24 15.306 9.288 -3.319 197 HA ILE 24 HA ILE 24 17.873 10.526 -2.742 198 HB ILE 24 HB ILE 24 16.869 11.334 -0.704 199 HG12 ILE 24 HG12 ILE 24 14.476 9.638 -1.452 200 HG13 ILE 24 HG13 ILE 24 15.581 9.328 -0.117 201 HG21 ILE 24 HG21 ILE 24 14.603 11.736 -2.562 202 HG22 ILE 24 HG22 ILE 24 15.573 12.916 -1.683 203 HG23 ILE 24 HG23 ILE 24 16.207 12.172 -3.151 204 HD11 ILE 24 HD11 ILE 24 13.915 10.349 1.022 205 HD12 ILE 24 HD12 ILE 24 14.835 11.781 0.558 206 HD13 ILE 24 HD13 ILE 24 13.406 11.314 -0.363 207 H ALA 25 H ALA 25 16.102 7.633 -1.994 208 HA ALA 25 HA ALA 25 17.575 6.871 0.313 209 HB1 ALA 25 HB1 ALA 25 15.544 5.673 -1.421 210 HB2 ALA 25 HB2 ALA 25 16.667 4.514 -0.710 211 HB3 ALA 25 HB3 ALA 25 15.736 5.591 0.330 212 H ILE 26 H ILE 26 17.972 6.311 -3.139 213 HA ILE 26 HA ILE 26 20.243 4.551 -2.708 214 HB ILE 26 HB ILE 26 19.057 5.606 -5.277 215 HG12 ILE 26 HG12 ILE 26 17.492 4.146 -4.169 216 HG13 ILE 26 HG13 ILE 26 18.223 3.256 -5.500 217 HG21 ILE 26 HG21 ILE 26 20.433 3.348 -5.925 218 HG22 ILE 26 HG22 ILE 26 21.042 4.992 -6.119 219 HG23 ILE 26 HG23 ILE 26 21.471 4.056 -4.687 220 HD11 ILE 26 HD11 ILE 26 18.964 3.024 -2.594 221 HD12 ILE 26 HD12 ILE 26 18.024 1.863 -3.533 222 HD13 ILE 26 HD13 ILE 26 19.721 2.145 -3.921 223 H GLN 27 H GLN 27 19.595 7.877 -3.445 224 HA GLN 27 HA GLN 27 21.996 8.633 -4.645 225 HB2 GLN 27 HB2 GLN 27 20.118 10.145 -4.580 226 HB3 GLN 27 HB3 GLN 27 20.155 10.185 -2.822 227 HG2 GLN 27 HG2 GLN 27 21.091 12.212 -3.803 228 HG3 GLN 27 HG3 GLN 27 22.288 11.325 -2.861 229 HE21 GLN 27 HE21 GLN 27 21.065 11.059 -6.182 230 HE22 GLN 27 HE22 GLN 27 22.616 11.125 -6.940 231 H GLY 28 H GLY 28 21.307 7.736 -1.389 232 HA2 GLY 28 HA2 GLY 28 24.069 8.475 -0.646 233 HA3 GLY 28 HA3 GLY 28 22.725 8.693 0.466 234 H GLY 29 H GLY 29 22.688 5.912 -1.576 235 HA2 GLY 29 HA2 GLY 29 22.763 4.173 0.712 236 HA3 GLY 29 HA3 GLY 29 22.584 3.683 -0.967 237 HA PRO 30 HA PRO 30 26.739 2.319 -1.165 238 HB2 PRO 30 HB2 PRO 30 27.624 3.249 -3.557 239 HB3 PRO 30 HB3 PRO 30 26.447 1.938 -3.412 240 HG2 PRO 30 HG2 PRO 30 25.988 4.842 -3.977 241 HG3 PRO 30 HG3 PRO 30 25.239 3.423 -4.733 242 HD2 PRO 30 HD2 PRO 30 23.997 4.879 -2.816 243 HD3 PRO 30 HD3 PRO 30 23.748 3.131 -2.999 244 H ARG 31 H ARG 31 26.198 5.743 -1.580 245 HA ARG 31 HA ARG 31 28.928 6.255 -0.595 246 HB2 ARG 31 HB2 ARG 31 27.264 7.891 -2.514 247 HB3 ARG 31 HB3 ARG 31 28.748 8.470 -1.769 248 HG2 ARG 31 HG2 ARG 31 29.477 6.040 -2.854 249 HG3 ARG 31 HG3 ARG 31 28.370 6.721 -4.048 250 HD2 ARG 31 HD2 ARG 31 30.674 8.253 -2.861 251 HD3 ARG 31 HD3 ARG 31 30.802 7.311 -4.346 252 HE ARG 31 HE ARG 31 28.652 8.982 -4.717 253 HH11 ARG 31 HH11 ARG 31 32.042 9.359 -4.020 254 HH12 ARG 31 HH12 ARG 31 32.171 10.888 -4.825 255 HH21 ARG 31 HH21 ARG 31 28.809 10.995 -5.780 256 HH22 ARG 31 HH22 ARG 31 30.332 11.818 -5.824 Start of MODEL 7 1 H1 SER 1 H SER 1 -4.061 -5.832 -3.690 2 HA SER 1 HA SER 1 -2.246 -5.843 -5.115 3 HB2 SER 1 HB2 SER 1 -2.610 -5.635 -7.587 4 HB3 SER 1 HB3 SER 1 -3.459 -6.996 -6.856 5 HG SER 1 HG SER 1 -4.829 -5.856 -8.257 6 H TRP 2 H TRP 2 -3.600 -3.563 -3.797 7 HA TRP 2 HA TRP 2 -3.614 -1.233 -5.279 8 HB2 TRP 2 HB2 TRP 2 -3.071 -1.843 -2.402 9 HB3 TRP 2 HB3 TRP 2 -2.787 -0.208 -2.992 10 HD1 TRP 2 HD1 TRP 2 -5.000 1.049 -4.095 11 HE1 TRP 2 HE1 TRP 2 -7.476 0.860 -3.417 12 HE3 TRP 2 HE3 TRP 2 -4.794 -3.342 -1.485 13 HZ2 TRP 2 HZ2 TRP 2 -9.123 -0.916 -1.967 14 HZ3 TRP 2 HZ3 TRP 2 -6.864 -4.217 -0.483 15 HH2 TRP 2 HH2 TRP 2 -8.982 -3.027 -0.720 16 H LEU 3 H LEU 3 -0.885 -2.987 -3.933 17 HA LEU 3 HA LEU 3 0.952 -0.951 -4.978 18 HB2 LEU 3 HB2 LEU 3 1.746 -3.317 -3.318 19 HB3 LEU 3 HB3 LEU 3 2.597 -1.789 -3.539 20 HG LEU 3 HG LEU 3 0.361 -0.898 -2.336 21 HD11 LEU 3 HD11 LEU 3 0.800 -3.292 -0.674 22 HD12 LEU 3 HD12 LEU 3 -0.110 -3.538 -2.164 23 HD13 LEU 3 HD13 LEU 3 -0.671 -2.366 -0.972 24 HD21 LEU 3 HD21 LEU 3 2.644 -2.058 -0.758 25 HD22 LEU 3 HD22 LEU 3 1.670 -0.634 -0.389 26 HD23 LEU 3 HD23 LEU 3 2.804 -0.602 -1.740 27 H SER 4 H SER 4 1.246 -1.351 -7.101 28 HA SER 4 HA SER 4 1.379 -3.987 -8.194 29 HB2 SER 4 HB2 SER 4 2.123 -1.311 -9.399 30 HB3 SER 4 HB3 SER 4 2.016 -2.825 -10.296 31 HG SER 4 HG SER 4 0.030 -2.103 -10.560 32 H LYS 5 H LYS 5 3.024 -5.175 -7.337 33 HA LYS 5 HA LYS 5 5.698 -4.102 -7.128 34 HB2 LYS 5 HB2 LYS 5 6.267 -6.401 -6.337 35 HB3 LYS 5 HB3 LYS 5 4.992 -5.624 -5.408 36 HG2 LYS 5 HG2 LYS 5 3.701 -7.036 -7.456 37 HG3 LYS 5 HG3 LYS 5 4.950 -8.112 -6.826 38 HD2 LYS 5 HD2 LYS 5 3.072 -6.615 -5.018 39 HD3 LYS 5 HD3 LYS 5 2.657 -8.189 -5.702 40 HE2 LYS 5 HE2 LYS 5 4.935 -8.944 -4.750 41 HE3 LYS 5 HE3 LYS 5 4.837 -7.483 -3.769 42 HZ1 LYS 5 HZ1 LYS 5 3.814 -8.947 -2.391 43 HZ2 LYS 5 HZ2 LYS 5 3.224 -9.917 -3.644 44 HZ3 LYS 5 HZ3 LYS 5 2.458 -8.455 -3.275 45 H THR 6 H THR 6 3.896 -6.190 -9.281 46 HA THR 6 HA THR 6 6.206 -7.092 -10.734 47 HB THR 6 HB THR 6 4.119 -8.438 -10.591 48 HG1 THR 6 HG1 THR 6 5.057 -7.657 -13.163 49 HG21 THR 6 HG21 THR 6 2.761 -7.021 -12.745 50 HG22 THR 6 HG22 THR 6 2.852 -6.078 -11.257 51 HG23 THR 6 HG23 THR 6 2.115 -7.680 -11.242 52 H ALA 7 H ALA 7 7.063 -6.296 -12.583 53 HA ALA 7 HA ALA 7 5.677 -4.299 -14.147 54 HB1 ALA 7 HB1 ALA 7 6.576 -2.498 -13.218 55 HB2 ALA 7 HB2 ALA 7 7.507 -3.499 -12.102 56 HB3 ALA 7 HB3 ALA 7 8.174 -3.085 -13.681 57 H LYS 8 H LYS 8 7.019 -7.000 -14.347 58 HA LYS 8 HA LYS 8 9.383 -6.910 -15.790 59 HB2 LYS 8 HB2 LYS 8 8.304 -8.980 -14.952 60 HB3 LYS 8 HB3 LYS 8 7.083 -8.828 -16.209 61 HG2 LYS 8 HG2 LYS 8 8.382 -9.884 -17.653 62 HG3 LYS 8 HG3 LYS 8 9.678 -8.713 -17.399 63 HD2 LYS 8 HD2 LYS 8 10.191 -10.043 -15.264 64 HD3 LYS 8 HD3 LYS 8 9.175 -11.304 -15.966 65 HE2 LYS 8 HE2 LYS 8 10.913 -12.005 -17.155 66 HE3 LYS 8 HE3 LYS 8 10.943 -10.453 -17.991 67 HZ1 LYS 8 HZ1 LYS 8 12.828 -9.947 -16.978 68 HZ2 LYS 8 HZ2 LYS 8 12.857 -11.482 -16.269 69 HZ3 LYS 8 HZ3 LYS 8 12.139 -10.187 -15.452 70 H LYS 9 H LYS 9 6.176 -6.045 -16.756 71 HA LYS 9 HA LYS 9 6.996 -4.692 -19.058 72 HB2 LYS 9 HB2 LYS 9 5.759 -6.272 -20.708 73 HB3 LYS 9 HB3 LYS 9 7.416 -6.642 -20.249 74 HG2 LYS 9 HG2 LYS 9 6.135 -8.661 -20.216 75 HG3 LYS 9 HG3 LYS 9 6.542 -8.225 -18.555 76 HD2 LYS 9 HD2 LYS 9 4.338 -7.395 -18.157 77 HD3 LYS 9 HD3 LYS 9 3.917 -7.533 -19.866 78 HE2 LYS 9 HE2 LYS 9 3.509 -9.745 -19.716 79 HE3 LYS 9 HE3 LYS 9 4.841 -10.019 -18.596 80 HZ1 LYS 9 HZ1 LYS 9 3.536 -9.601 -16.792 81 HZ2 LYS 9 HZ2 LYS 9 2.367 -10.250 -17.828 82 HZ3 LYS 9 HZ3 LYS 9 2.483 -8.574 -17.628 83 H LEU 10 H LEU 10 5.320 -4.186 -16.886 84 HA LEU 10 HA LEU 10 2.906 -3.414 -18.290 85 HB2 LEU 10 HB2 LEU 10 1.372 -4.376 -16.728 86 HB3 LEU 10 HB3 LEU 10 2.404 -5.654 -17.366 87 HG LEU 10 HG LEU 10 3.507 -4.617 -14.921 88 HD11 LEU 10 HD11 LEU 10 1.595 -4.105 -13.858 89 HD12 LEU 10 HD12 LEU 10 1.443 -5.854 -13.693 90 HD13 LEU 10 HD13 LEU 10 0.595 -5.014 -14.992 91 HD21 LEU 10 HD21 LEU 10 3.992 -6.785 -14.614 92 HD22 LEU 10 HD22 LEU 10 3.461 -6.969 -16.286 93 HD23 LEU 10 HD23 LEU 10 2.344 -7.307 -14.963 94 H GLU 11 H GLU 11 5.327 -2.288 -16.838 95 HA GLU 11 HA GLU 11 4.677 -1.069 -14.451 96 HB2 GLU 11 HB2 GLU 11 6.911 -0.990 -15.508 97 HB3 GLU 11 HB3 GLU 11 6.290 0.137 -16.706 98 HG2 GLU 11 HG2 GLU 11 5.786 1.013 -13.984 99 HG3 GLU 11 HG3 GLU 11 7.501 0.788 -14.324 100 H ASN 12 H ASN 12 2.765 -0.114 -14.093 101 HA ASN 12 HA ASN 12 1.870 1.939 -16.008 102 HB2 ASN 12 HB2 ASN 12 0.432 -0.195 -15.473 103 HB3 ASN 12 HB3 ASN 12 0.014 0.696 -14.013 104 HD21 ASN 12 HD21 ASN 12 -1.526 -0.114 -16.447 105 HD22 ASN 12 HD22 ASN 12 -2.265 1.347 -17.001 106 H SER 13 H SER 13 3.086 3.596 -15.043 107 HA SER 13 HA SER 13 3.406 5.379 -13.666 108 HB2 SER 13 HB2 SER 13 0.821 5.342 -13.824 109 HB3 SER 13 HB3 SER 13 0.877 4.672 -12.194 110 HG SER 13 HG SER 13 0.975 6.701 -11.641 111 H ALA 14 H ALA 14 4.472 2.792 -12.975 112 HA ALA 14 HA ALA 14 4.443 2.879 -10.037 113 HB1 ALA 14 HB1 ALA 14 4.167 0.680 -10.274 114 HB2 ALA 14 HB2 ALA 14 4.606 0.727 -11.982 115 HB3 ALA 14 HB3 ALA 14 5.865 0.626 -10.750 116 H LYS 15 H LYS 15 6.159 4.143 -12.496 117 HA LYS 15 HA LYS 15 8.798 3.704 -11.314 118 HB2 LYS 15 HB2 LYS 15 9.725 4.496 -13.309 119 HB3 LYS 15 HB3 LYS 15 8.303 3.608 -13.841 120 HG2 LYS 15 HG2 LYS 15 8.162 6.555 -13.354 121 HG3 LYS 15 HG3 LYS 15 8.801 5.916 -14.870 122 HD2 LYS 15 HD2 LYS 15 6.716 5.705 -15.613 123 HD3 LYS 15 HD3 LYS 15 6.417 4.510 -14.348 124 HE2 LYS 15 HE2 LYS 15 5.216 5.949 -13.113 125 HE3 LYS 15 HE3 LYS 15 6.322 7.286 -13.422 126 HZ1 LYS 15 HZ1 LYS 15 4.094 7.654 -14.348 127 HZ2 LYS 15 HZ2 LYS 15 4.285 6.301 -15.345 128 HZ3 LYS 15 HZ3 LYS 15 5.289 7.648 -15.546 129 H LYS 16 H LYS 16 6.272 6.021 -11.432 130 HA LYS 16 HA LYS 16 7.924 8.288 -10.755 131 HB2 LYS 16 HB2 LYS 16 5.371 7.964 -11.801 132 HB3 LYS 16 HB3 LYS 16 5.084 8.577 -10.177 133 HG2 LYS 16 HG2 LYS 16 5.195 10.421 -11.699 134 HG3 LYS 16 HG3 LYS 16 6.622 10.454 -10.659 135 HD2 LYS 16 HD2 LYS 16 7.600 10.814 -12.700 136 HD3 LYS 16 HD3 LYS 16 7.672 9.051 -12.629 137 HE2 LYS 16 HE2 LYS 16 6.670 9.121 -14.631 138 HE3 LYS 16 HE3 LYS 16 5.204 9.480 -13.720 139 HZ1 LYS 16 HZ1 LYS 16 6.890 11.265 -15.309 140 HZ2 LYS 16 HZ2 LYS 16 6.134 11.913 -13.942 141 HZ3 LYS 16 HZ3 LYS 16 5.205 11.212 -15.170 142 H ARG 17 H ARG 17 5.969 5.921 -9.076 143 HA ARG 17 HA ARG 17 5.933 7.278 -6.568 144 HB2 ARG 17 HB2 ARG 17 4.881 5.366 -5.706 145 HB3 ARG 17 HB3 ARG 17 4.354 5.428 -7.383 146 HG2 ARG 17 HG2 ARG 17 6.415 3.857 -7.765 147 HG3 ARG 17 HG3 ARG 17 6.205 3.523 -6.045 148 HD2 ARG 17 HD2 ARG 17 3.682 3.474 -7.464 149 HD3 ARG 17 HD3 ARG 17 4.840 2.339 -8.157 150 HE ARG 17 HE ARG 17 4.716 1.074 -6.240 151 HH11 ARG 17 HH11 ARG 17 3.159 4.146 -5.730 152 HH12 ARG 17 HH12 ARG 17 2.456 3.685 -4.215 153 HH21 ARG 17 HH21 ARG 17 3.796 0.456 -4.246 154 HH22 ARG 17 HH22 ARG 17 2.820 1.586 -3.371 155 H ILE 18 H ILE 18 8.099 5.020 -8.126 156 HA ILE 18 HA ILE 18 9.632 4.537 -5.722 157 HB ILE 18 HB ILE 18 11.067 3.167 -7.074 158 HG12 ILE 18 HG12 ILE 18 9.577 4.296 -9.454 159 HG13 ILE 18 HG13 ILE 18 11.251 4.633 -9.027 160 HG21 ILE 18 HG21 ILE 18 8.918 2.207 -6.424 161 HG22 ILE 18 HG22 ILE 18 8.196 2.799 -7.919 162 HG23 ILE 18 HG23 ILE 18 9.458 1.568 -7.976 163 HD11 ILE 18 HD11 ILE 18 11.370 1.969 -9.183 164 HD12 ILE 18 HD12 ILE 18 10.061 2.274 -10.326 165 HD13 ILE 18 HD13 ILE 18 11.634 3.035 -10.563 166 H SER 19 H SER 19 9.692 6.712 -8.418 167 HA SER 19 HA SER 19 12.407 7.468 -8.328 168 HB2 SER 19 HB2 SER 19 11.814 9.253 -9.755 169 HB3 SER 19 HB3 SER 19 10.660 7.978 -10.145 170 HG SER 19 HG SER 19 9.888 10.259 -9.718 171 H GLU 20 H GLU 20 9.876 8.001 -6.148 172 HA GLU 20 HA GLU 20 10.919 10.489 -5.087 173 HB2 GLU 20 HB2 GLU 20 8.423 9.352 -5.098 174 HB3 GLU 20 HB3 GLU 20 8.967 9.023 -3.459 175 HG2 GLU 20 HG2 GLU 20 9.644 11.679 -3.898 176 HG3 GLU 20 HG3 GLU 20 8.057 11.490 -4.641 177 H GLY 21 H GLY 21 10.622 7.109 -4.023 178 HA2 GLY 21 HA2 GLY 21 12.113 7.596 -1.604 179 HA3 GLY 21 HA3 GLY 21 11.560 6.036 -2.195 180 H ILE 22 H ILE 22 12.799 6.253 -4.786 181 HA ILE 22 HA ILE 22 15.399 5.292 -4.091 182 HB ILE 22 HB ILE 22 14.215 5.867 -6.810 183 HG12 ILE 22 HG12 ILE 22 14.514 3.250 -5.320 184 HG13 ILE 22 HG13 ILE 22 13.010 4.152 -5.472 185 HG21 ILE 22 HG21 ILE 22 16.709 4.374 -6.013 186 HG22 ILE 22 HG22 ILE 22 15.999 4.345 -7.627 187 HG23 ILE 22 HG23 ILE 22 16.611 5.859 -6.961 188 HD11 ILE 22 HD11 ILE 22 13.161 3.886 -7.927 189 HD12 ILE 22 HD12 ILE 22 14.581 2.867 -7.690 190 HD13 ILE 22 HD13 ILE 22 13.016 2.361 -7.054 191 H ALA 23 H ALA 23 14.105 8.347 -4.996 192 HA ALA 23 HA ALA 23 16.493 9.491 -6.054 193 HB1 ALA 23 HB1 ALA 23 13.906 10.636 -5.059 194 HB2 ALA 23 HB2 ALA 23 15.250 11.672 -5.541 195 HB3 ALA 23 HB3 ALA 23 14.526 10.566 -6.709 196 H ILE 24 H ILE 24 15.042 9.310 -2.851 197 HA ILE 24 HA ILE 24 17.121 10.985 -1.700 198 HB ILE 24 HB ILE 24 15.947 10.627 0.437 199 HG12 ILE 24 HG12 ILE 24 13.976 9.026 -1.208 200 HG13 ILE 24 HG13 ILE 24 15.130 8.334 -0.073 201 HG21 ILE 24 HG21 ILE 24 14.157 12.050 -0.024 202 HG22 ILE 24 HG22 ILE 24 15.300 12.375 -1.326 203 HG23 ILE 24 HG23 ILE 24 13.894 11.354 -1.623 204 HD11 ILE 24 HD11 ILE 24 12.643 9.867 0.443 205 HD12 ILE 24 HD12 ILE 24 13.263 8.413 1.226 206 HD13 ILE 24 HD13 ILE 24 13.965 9.986 1.603 207 H ALA 25 H ALA 25 16.300 7.619 -2.015 208 HA ALA 25 HA ALA 25 17.902 6.576 0.055 209 HB1 ALA 25 HB1 ALA 25 17.548 4.467 -0.905 210 HB2 ALA 25 HB2 ALA 25 16.099 5.390 -1.305 211 HB3 ALA 25 HB3 ALA 25 17.350 5.140 -2.523 212 H ILE 26 H ILE 26 18.617 7.533 -3.244 213 HA ILE 26 HA ILE 26 21.351 6.531 -3.028 214 HB ILE 26 HB ILE 26 20.028 7.939 -5.349 215 HG12 ILE 26 HG12 ILE 26 18.879 5.861 -4.962 216 HG13 ILE 26 HG13 ILE 26 19.949 5.637 -6.342 217 HG21 ILE 26 HG21 ILE 26 22.721 6.785 -4.886 218 HG22 ILE 26 HG22 ILE 26 21.996 6.561 -6.477 219 HG23 ILE 26 HG23 ILE 26 22.237 8.187 -5.839 220 HD11 ILE 26 HD11 ILE 26 20.474 4.726 -3.523 221 HD12 ILE 26 HD12 ILE 26 20.004 3.708 -4.885 222 HD13 ILE 26 HD13 ILE 26 21.569 4.521 -4.890 223 H GLN 27 H GLN 27 19.551 9.483 -2.843 224 HA GLN 27 HA GLN 27 21.505 11.373 -3.428 225 HB2 GLN 27 HB2 GLN 27 19.164 11.966 -3.079 226 HB3 GLN 27 HB3 GLN 27 19.285 11.521 -1.382 227 HG2 GLN 27 HG2 GLN 27 19.368 13.914 -1.615 228 HG3 GLN 27 HG3 GLN 27 20.922 13.313 -1.040 229 HE21 GLN 27 HE21 GLN 27 19.397 13.659 -4.229 230 HE22 GLN 27 HE22 GLN 27 20.707 14.523 -4.950 231 H GLY 28 H GLY 28 21.168 9.290 -0.686 232 HA2 GLY 28 HA2 GLY 28 23.552 10.560 0.502 233 HA3 GLY 28 HA3 GLY 28 22.192 10.078 1.505 234 H GLY 29 H GLY 29 22.964 8.067 -1.184 235 HA2 GLY 29 HA2 GLY 29 23.295 5.760 0.356 236 HA3 GLY 29 HA3 GLY 29 23.797 5.934 -1.319 237 HA PRO 30 HA PRO 30 28.029 5.824 -0.201 238 HB2 PRO 30 HB2 PRO 30 29.151 7.761 -1.737 239 HB3 PRO 30 HB3 PRO 30 28.554 6.235 -2.400 240 HG2 PRO 30 HG2 PRO 30 27.237 8.922 -2.349 241 HG3 PRO 30 HG3 PRO 30 27.315 7.739 -3.668 242 HD2 PRO 30 HD2 PRO 30 25.131 8.021 -2.092 243 HD3 PRO 30 HD3 PRO 30 25.609 6.461 -2.791 244 H ARG 31 H ARG 31 26.286 8.764 0.263 245 HA ARG 31 HA ARG 31 26.531 10.524 1.683 246 HB2 ARG 31 HB2 ARG 31 27.303 8.200 3.085 247 HB3 ARG 31 HB3 ARG 31 28.472 9.443 3.509 248 HG2 ARG 31 HG2 ARG 31 26.736 10.902 4.282 249 HG3 ARG 31 HG3 ARG 31 25.491 9.799 3.694 250 HD2 ARG 31 HD2 ARG 31 25.488 8.967 5.770 251 HD3 ARG 31 HD3 ARG 31 27.000 8.183 5.313 252 HE ARG 31 HE ARG 31 27.530 10.789 6.241 253 HH11 ARG 31 HH11 ARG 31 26.524 7.660 7.390 254 HH12 ARG 31 HH12 ARG 31 27.183 7.886 8.977 255 HH21 ARG 31 HH21 ARG 31 28.402 11.098 8.326 256 HH22 ARG 31 HH22 ARG 31 28.251 9.842 9.508 Start of MODEL 8 1 H1 SER 1 H SER 1 -11.184 -8.210 -16.209 2 HA SER 1 HA SER 1 -10.831 -9.782 -18.537 3 HB2 SER 1 HB2 SER 1 -12.542 -7.352 -19.034 4 HB3 SER 1 HB3 SER 1 -12.186 -8.687 -20.130 5 HG SER 1 HG SER 1 -13.322 -9.964 -18.356 6 H TRP 2 H TRP 2 -8.686 -9.194 -18.001 7 HA TRP 2 HA TRP 2 -7.874 -6.439 -18.000 8 HB2 TRP 2 HB2 TRP 2 -6.375 -9.052 -17.926 9 HB3 TRP 2 HB3 TRP 2 -5.541 -7.505 -18.042 10 HD1 TRP 2 HD1 TRP 2 -7.042 -5.760 -15.975 11 HE1 TRP 2 HE1 TRP 2 -6.965 -6.307 -13.461 12 HE3 TRP 2 HE3 TRP 2 -5.794 -10.710 -16.257 13 HZ2 TRP 2 HZ2 TRP 2 -6.445 -8.540 -11.815 14 HZ3 TRP 2 HZ3 TRP 2 -5.525 -11.980 -14.167 15 HH2 TRP 2 HH2 TRP 2 -5.844 -10.915 -11.993 16 H LEU 3 H LEU 3 -7.661 -5.250 -19.768 17 HA LEU 3 HA LEU 3 -7.547 -6.435 -22.381 18 HB2 LEU 3 HB2 LEU 3 -8.277 -3.947 -21.293 19 HB3 LEU 3 HB3 LEU 3 -6.932 -3.633 -22.387 20 HG LEU 3 HG LEU 3 -8.217 -4.817 -24.177 21 HD11 LEU 3 HD11 LEU 3 -9.946 -5.376 -21.946 22 HD12 LEU 3 HD12 LEU 3 -9.966 -6.042 -23.578 23 HD13 LEU 3 HD13 LEU 3 -10.825 -4.543 -23.227 24 HD21 LEU 3 HD21 LEU 3 -10.052 -2.679 -23.387 25 HD22 LEU 3 HD22 LEU 3 -9.053 -2.844 -24.831 26 HD23 LEU 3 HD23 LEU 3 -8.349 -2.226 -23.336 27 H SER 4 H SER 4 -5.393 -4.141 -20.693 28 HA SER 4 HA SER 4 -3.062 -5.572 -21.635 29 HB2 SER 4 HB2 SER 4 -3.787 -2.833 -22.661 30 HB3 SER 4 HB3 SER 4 -2.113 -3.385 -22.610 31 HG SER 4 HG SER 4 -2.867 -3.950 -24.594 32 H LYS 5 H LYS 5 -4.059 -5.113 -19.063 33 HA LYS 5 HA LYS 5 -3.092 -2.924 -17.680 34 HB2 LYS 5 HB2 LYS 5 -4.228 -5.412 -17.029 35 HB3 LYS 5 HB3 LYS 5 -2.724 -5.326 -16.121 36 HG2 LYS 5 HG2 LYS 5 -4.358 -4.433 -14.703 37 HG3 LYS 5 HG3 LYS 5 -3.492 -3.035 -15.346 38 HD2 LYS 5 HD2 LYS 5 -5.840 -3.927 -16.897 39 HD3 LYS 5 HD3 LYS 5 -6.180 -3.246 -15.304 40 HE2 LYS 5 HE2 LYS 5 -4.487 -1.393 -16.132 41 HE3 LYS 5 HE3 LYS 5 -5.007 -1.961 -17.718 42 HZ1 LYS 5 HZ1 LYS 5 -7.004 -1.281 -15.663 43 HZ2 LYS 5 HZ2 LYS 5 -7.167 -1.288 -17.346 44 HZ3 LYS 5 HZ3 LYS 5 -6.290 -0.057 -16.587 45 H THR 6 H THR 6 -1.117 -2.135 -17.450 46 HA THR 6 HA THR 6 1.174 -3.971 -17.689 47 HB THR 6 HB THR 6 2.481 -1.831 -18.167 48 HG1 THR 6 HG1 THR 6 0.579 -0.513 -17.435 49 HG21 THR 6 HG21 THR 6 0.403 -2.954 -20.026 50 HG22 THR 6 HG22 THR 6 2.139 -3.268 -19.990 51 HG23 THR 6 HG23 THR 6 1.536 -1.709 -20.549 52 H ALA 7 H ALA 7 -0.216 -3.686 -15.237 53 HA ALA 7 HA ALA 7 1.953 -2.608 -13.593 54 HB1 ALA 7 HB1 ALA 7 -0.947 -2.000 -13.038 55 HB2 ALA 7 HB2 ALA 7 0.451 -1.450 -12.113 56 HB3 ALA 7 HB3 ALA 7 0.198 -0.866 -13.757 57 H LYS 8 H LYS 8 0.769 -5.289 -14.403 58 HA LYS 8 HA LYS 8 -0.558 -6.549 -12.338 59 HB2 LYS 8 HB2 LYS 8 -0.006 -7.545 -14.564 60 HB3 LYS 8 HB3 LYS 8 1.646 -7.775 -14.006 61 HG2 LYS 8 HG2 LYS 8 0.518 -9.848 -13.773 62 HG3 LYS 8 HG3 LYS 8 0.736 -9.184 -12.152 63 HD2 LYS 8 HD2 LYS 8 -1.757 -8.304 -13.322 64 HD3 LYS 8 HD3 LYS 8 -1.646 -10.065 -13.302 65 HE2 LYS 8 HE2 LYS 8 -1.750 -10.173 -11.052 66 HE3 LYS 8 HE3 LYS 8 -0.777 -8.719 -10.834 67 HZ1 LYS 8 HZ1 LYS 8 -3.168 -8.575 -10.114 68 HZ2 LYS 8 HZ2 LYS 8 -3.591 -8.626 -11.750 69 HZ3 LYS 8 HZ3 LYS 8 -2.644 -7.353 -11.161 70 H LYS 9 H LYS 9 2.777 -5.570 -12.530 71 HA LYS 9 HA LYS 9 3.170 -5.809 -9.743 72 HB2 LYS 9 HB2 LYS 9 5.140 -7.532 -10.121 73 HB3 LYS 9 HB3 LYS 9 3.500 -8.078 -9.794 74 HG2 LYS 9 HG2 LYS 9 4.464 -9.367 -11.589 75 HG3 LYS 9 HG3 LYS 9 3.135 -8.381 -12.203 76 HD2 LYS 9 HD2 LYS 9 4.950 -8.262 -13.767 77 HD3 LYS 9 HD3 LYS 9 4.817 -6.701 -12.953 78 HE2 LYS 9 HE2 LYS 9 6.967 -6.866 -12.417 79 HE3 LYS 9 HE3 LYS 9 6.559 -8.235 -11.385 80 HZ1 LYS 9 HZ1 LYS 9 7.913 -9.378 -12.715 81 HZ2 LYS 9 HZ2 LYS 9 7.905 -8.194 -13.923 82 HZ3 LYS 9 HZ3 LYS 9 6.662 -9.338 -13.853 83 H LEU 10 H LEU 10 3.519 -3.815 -11.693 84 HA LEU 10 HA LEU 10 6.201 -3.537 -12.536 85 HB2 LEU 10 HB2 LEU 10 3.802 -2.108 -12.800 86 HB3 LEU 10 HB3 LEU 10 4.946 -0.996 -12.050 87 HG LEU 10 HG LEU 10 5.031 -0.648 -14.402 88 HD11 LEU 10 HD11 LEU 10 7.354 -1.152 -14.903 89 HD12 LEU 10 HD12 LEU 10 7.399 -2.329 -13.591 90 HD13 LEU 10 HD13 LEU 10 7.182 -0.616 -13.231 91 HD21 LEU 10 HD21 LEU 10 4.872 -2.235 -15.986 92 HD22 LEU 10 HD22 LEU 10 4.237 -3.222 -14.669 93 HD23 LEU 10 HD23 LEU 10 5.936 -3.349 -15.126 94 H GLU 11 H GLU 11 4.450 -2.112 -9.780 95 HA GLU 11 HA GLU 11 6.557 -2.355 -7.968 96 HB2 GLU 11 HB2 GLU 11 6.832 -0.125 -9.769 97 HB3 GLU 11 HB3 GLU 11 6.611 0.458 -8.126 98 HG2 GLU 11 HG2 GLU 11 8.546 -0.560 -7.364 99 HG3 GLU 11 HG3 GLU 11 8.598 -1.694 -8.713 100 H ASN 12 H ASN 12 4.150 0.129 -8.846 101 HA ASN 12 HA ASN 12 2.306 0.899 -7.752 102 HB2 ASN 12 HB2 ASN 12 2.587 -1.805 -6.830 103 HB3 ASN 12 HB3 ASN 12 2.053 -0.791 -5.493 104 HD21 ASN 12 HD21 ASN 12 1.293 -1.969 -8.681 105 HD22 ASN 12 HD22 ASN 12 -0.388 -1.570 -8.644 106 H SER 13 H SER 13 4.042 -0.488 -4.980 107 HA SER 13 HA SER 13 4.523 2.250 -4.006 108 HB2 SER 13 HB2 SER 13 3.385 -0.118 -2.542 109 HB3 SER 13 HB3 SER 13 4.225 1.163 -1.668 110 HG SER 13 HG SER 13 2.701 2.594 -2.906 111 H ALA 14 H ALA 14 5.954 -0.442 -5.106 112 HA ALA 14 HA ALA 14 8.005 -0.879 -3.171 113 HB1 ALA 14 HB1 ALA 14 8.072 -2.720 -4.428 114 HB2 ALA 14 HB2 ALA 14 7.285 -1.922 -5.789 115 HB3 ALA 14 HB3 ALA 14 9.028 -1.772 -5.567 116 H LYS 15 H LYS 15 7.445 1.564 -5.449 117 HA LYS 15 HA LYS 15 10.235 2.218 -5.880 118 HB2 LYS 15 HB2 LYS 15 9.358 4.118 -7.173 119 HB3 LYS 15 HB3 LYS 15 8.648 2.594 -7.690 120 HG2 LYS 15 HG2 LYS 15 6.719 3.718 -7.569 121 HG3 LYS 15 HG3 LYS 15 6.843 3.398 -5.837 122 HD2 LYS 15 HD2 LYS 15 8.360 5.742 -6.594 123 HD3 LYS 15 HD3 LYS 15 6.668 5.887 -7.074 124 HE2 LYS 15 HE2 LYS 15 6.478 4.850 -4.546 125 HE3 LYS 15 HE3 LYS 15 7.882 5.908 -4.412 126 HZ1 LYS 15 HZ1 LYS 15 6.557 7.663 -4.380 127 HZ2 LYS 15 HZ2 LYS 15 5.211 6.639 -4.370 128 HZ3 LYS 15 HZ3 LYS 15 5.825 7.215 -5.838 129 H LYS 16 H LYS 16 7.854 2.864 -3.553 130 HA LYS 16 HA LYS 16 8.878 5.441 -2.745 131 HB2 LYS 16 HB2 LYS 16 6.455 4.513 -2.502 132 HB3 LYS 16 HB3 LYS 16 7.080 3.732 -1.056 133 HG2 LYS 16 HG2 LYS 16 6.089 5.763 -0.367 134 HG3 LYS 16 HG3 LYS 16 7.836 5.996 -0.280 135 HD2 LYS 16 HD2 LYS 16 7.515 6.900 -2.726 136 HD3 LYS 16 HD3 LYS 16 5.854 7.153 -2.185 137 HE2 LYS 16 HE2 LYS 16 7.592 8.096 -0.150 138 HE3 LYS 16 HE3 LYS 16 8.156 8.750 -1.687 139 HZ1 LYS 16 HZ1 LYS 16 5.973 9.583 -0.154 140 HZ2 LYS 16 HZ2 LYS 16 5.366 8.963 -1.605 141 HZ3 LYS 16 HZ3 LYS 16 6.511 10.207 -1.631 142 H ARG 17 H ARG 17 9.227 2.088 -1.783 143 HA ARG 17 HA ARG 17 10.559 2.593 0.677 144 HB2 ARG 17 HB2 ARG 17 10.998 0.262 0.749 145 HB3 ARG 17 HB3 ARG 17 9.419 0.439 -0.005 146 HG2 ARG 17 HG2 ARG 17 11.004 0.441 -2.188 147 HG3 ARG 17 HG3 ARG 17 11.939 -0.593 -1.106 148 HD2 ARG 17 HD2 ARG 17 9.070 -1.171 -1.135 149 HD3 ARG 17 HD3 ARG 17 9.868 -1.419 -2.687 150 HE ARG 17 HE ARG 17 11.380 -2.612 -0.625 151 HH11 ARG 17 HH11 ARG 17 8.427 -3.024 -2.422 152 HH12 ARG 17 HH12 ARG 17 8.403 -4.747 -2.240 153 HH21 ARG 17 HH21 ARG 17 11.360 -4.879 -0.378 154 HH22 ARG 17 HH22 ARG 17 10.072 -5.801 -1.076 155 H ILE 18 H ILE 18 11.591 2.349 -2.644 156 HA ILE 18 HA ILE 18 14.403 2.238 -1.936 157 HB ILE 18 HB ILE 18 14.874 2.048 -4.244 158 HG12 ILE 18 HG12 ILE 18 12.040 2.984 -4.736 159 HG13 ILE 18 HG13 ILE 18 13.513 3.885 -5.078 160 HG21 ILE 18 HG21 ILE 18 13.866 0.059 -3.252 161 HG22 ILE 18 HG22 ILE 18 12.267 0.626 -3.728 162 HG23 ILE 18 HG23 ILE 18 13.452 0.196 -4.961 163 HD11 ILE 18 HD11 ILE 18 12.471 1.436 -6.461 164 HD12 ILE 18 HD12 ILE 18 12.768 3.039 -7.136 165 HD13 ILE 18 HD13 ILE 18 14.124 2.016 -6.662 166 H SER 19 H SER 19 12.018 4.590 -2.853 167 HA SER 19 HA SER 19 13.735 6.643 -3.738 168 HB2 SER 19 HB2 SER 19 10.938 6.321 -3.229 169 HB3 SER 19 HB3 SER 19 11.480 7.810 -2.457 170 HG SER 19 HG SER 19 12.329 8.468 -4.456 171 H GLU 20 H GLU 20 13.254 5.313 -0.660 172 HA GLU 20 HA GLU 20 13.919 7.698 0.830 173 HB2 GLU 20 HB2 GLU 20 12.622 5.355 1.461 174 HB3 GLU 20 HB3 GLU 20 14.193 5.132 2.219 175 HG2 GLU 20 HG2 GLU 20 13.810 7.484 3.194 176 HG3 GLU 20 HG3 GLU 20 12.123 7.221 2.757 177 H GLY 21 H GLY 21 15.505 4.602 0.078 178 HA2 GLY 21 HA2 GLY 21 17.983 5.422 1.301 179 HA3 GLY 21 HA3 GLY 21 17.705 3.945 0.390 180 H ILE 22 H ILE 22 16.688 5.289 -1.965 181 HA ILE 22 HA ILE 22 19.190 5.810 -3.248 182 HB ILE 22 HB ILE 22 16.376 6.129 -4.300 183 HG12 ILE 22 HG12 ILE 22 18.355 3.893 -4.773 184 HG13 ILE 22 HG13 ILE 22 17.064 3.819 -3.578 185 HG21 ILE 22 HG21 ILE 22 17.406 7.260 -5.938 186 HG22 ILE 22 HG22 ILE 22 19.004 6.696 -5.454 187 HG23 ILE 22 HG23 ILE 22 17.976 5.675 -6.460 188 HD11 ILE 22 HD11 ILE 22 16.803 3.976 -6.565 189 HD12 ILE 22 HD12 ILE 22 16.308 2.665 -5.493 190 HD13 ILE 22 HD13 ILE 22 15.449 4.204 -5.459 191 H ALA 23 H ALA 23 16.788 7.749 -1.727 192 HA ALA 23 HA ALA 23 17.330 10.192 -3.094 193 HB1 ALA 23 HB1 ALA 23 15.243 10.100 -2.049 194 HB2 ALA 23 HB2 ALA 23 15.926 9.516 -0.531 195 HB3 ALA 23 HB3 ALA 23 16.187 11.187 -1.030 196 H ILE 24 H ILE 24 18.592 8.645 -0.196 197 HA ILE 24 HA ILE 24 20.257 10.944 0.435 198 HB ILE 24 HB ILE 24 21.046 9.581 2.342 199 HG12 ILE 24 HG12 ILE 24 19.034 7.543 1.366 200 HG13 ILE 24 HG13 ILE 24 20.780 7.371 1.226 201 HG21 ILE 24 HG21 ILE 24 19.011 9.690 3.612 202 HG22 ILE 24 HG22 ILE 24 19.043 11.042 2.482 203 HG23 ILE 24 HG23 ILE 24 18.040 9.633 2.142 204 HD11 ILE 24 HD11 ILE 24 20.489 6.200 3.128 205 HD12 ILE 24 HD12 ILE 24 20.602 7.804 3.853 206 HD13 ILE 24 HD13 ILE 24 19.022 7.072 3.573 207 H ALA 25 H ALA 25 20.510 7.819 -1.074 208 HA ALA 25 HA ALA 25 23.304 7.481 -0.924 209 HB1 ALA 25 HB1 ALA 25 21.524 5.774 -1.591 210 HB2 ALA 25 HB2 ALA 25 21.624 6.485 -3.203 211 HB3 ALA 25 HB3 ALA 25 23.050 5.746 -2.476 212 H ILE 26 H ILE 26 21.244 9.255 -3.145 213 HA ILE 26 HA ILE 26 23.516 9.922 -4.850 214 HB ILE 26 HB ILE 26 20.629 10.765 -5.125 215 HG12 ILE 26 HG12 ILE 26 20.747 8.370 -5.324 216 HG13 ILE 26 HG13 ILE 26 20.586 9.039 -6.944 217 HG21 ILE 26 HG21 ILE 26 21.333 11.199 -7.494 218 HG22 ILE 26 HG22 ILE 26 22.029 12.289 -6.296 219 HG23 ILE 26 HG23 ILE 26 23.001 10.979 -6.966 220 HD11 ILE 26 HD11 ILE 26 22.192 7.232 -6.910 221 HD12 ILE 26 HD12 ILE 26 22.991 8.759 -7.287 222 HD13 ILE 26 HD13 ILE 26 23.132 8.065 -5.672 223 H GLN 27 H GLN 27 21.551 11.289 -2.346 224 HA GLN 27 HA GLN 27 21.899 14.013 -2.782 225 HB2 GLN 27 HB2 GLN 27 20.388 13.138 -1.079 226 HB3 GLN 27 HB3 GLN 27 21.752 12.521 -0.157 227 HG2 GLN 27 HG2 GLN 27 22.027 14.463 0.865 228 HG3 GLN 27 HG3 GLN 27 22.080 15.327 -0.671 229 HE21 GLN 27 HE21 GLN 27 20.528 16.739 -1.018 230 HE22 GLN 27 HE22 GLN 27 18.987 16.772 -0.237 231 H GLY 28 H GLY 28 24.157 11.620 -1.709 232 HA2 GLY 28 HA2 GLY 28 26.172 13.751 -1.371 233 HA3 GLY 28 HA3 GLY 28 26.102 12.377 -0.278 234 H GLY 29 H GLY 29 25.419 11.876 -3.635 235 HA2 GLY 29 HA2 GLY 29 27.366 9.886 -3.942 236 HA3 GLY 29 HA3 GLY 29 26.525 10.691 -5.259 237 HA PRO 30 HA PRO 30 30.146 12.831 -6.474 238 HB2 PRO 30 HB2 PRO 30 29.303 15.373 -6.920 239 HB3 PRO 30 HB3 PRO 30 28.878 14.020 -7.975 240 HG2 PRO 30 HG2 PRO 30 27.270 15.304 -5.801 241 HG3 PRO 30 HG3 PRO 30 26.753 14.780 -7.414 242 HD2 PRO 30 HD2 PRO 30 26.285 13.314 -5.186 243 HD3 PRO 30 HD3 PRO 30 26.567 12.573 -6.775 244 H ARG 31 H ARG 31 28.369 14.213 -3.797 245 HA ARG 31 HA ARG 31 30.902 15.229 -2.705 246 HB2 ARG 31 HB2 ARG 31 28.416 16.708 -3.240 247 HB3 ARG 31 HB3 ARG 31 29.068 16.941 -1.623 248 HG2 ARG 31 HG2 ARG 31 31.013 17.144 -3.823 249 HG3 ARG 31 HG3 ARG 31 29.781 18.407 -3.759 250 HD2 ARG 31 HD2 ARG 31 30.522 19.217 -1.746 251 HD3 ARG 31 HD3 ARG 31 31.181 17.661 -1.242 252 HE ARG 31 HE ARG 31 32.537 19.724 -2.704 253 HH11 ARG 31 HH11 ARG 31 32.409 16.306 -2.053 254 HH12 ARG 31 HH12 ARG 31 34.075 16.036 -2.447 255 HH21 ARG 31 HH21 ARG 31 34.731 19.381 -3.227 256 HH22 ARG 31 HH22 ARG 31 35.394 17.786 -3.114 Start of MODEL 9 1 H1 SER 1 H SER 1 -3.066 -13.511 2.590 2 HA SER 1 HA SER 1 -5.149 -15.413 1.884 3 HB2 SER 1 HB2 SER 1 -6.262 -12.735 2.355 4 HB3 SER 1 HB3 SER 1 -6.924 -14.318 2.759 5 HG SER 1 HG SER 1 -6.249 -14.024 4.716 6 H TRP 2 H TRP 2 -4.100 -12.035 1.458 7 HA TRP 2 HA TRP 2 -4.103 -12.469 -1.439 8 HB2 TRP 2 HB2 TRP 2 -5.676 -10.409 0.061 9 HB3 TRP 2 HB3 TRP 2 -5.047 -10.019 -1.537 10 HD1 TRP 2 HD1 TRP 2 -7.237 -12.781 0.094 11 HE1 TRP 2 HE1 TRP 2 -9.004 -13.506 -1.631 12 HE3 TRP 2 HE3 TRP 2 -5.746 -9.898 -3.856 13 HZ2 TRP 2 HZ2 TRP 2 -9.677 -12.933 -4.311 14 HZ3 TRP 2 HZ3 TRP 2 -7.005 -10.046 -5.965 15 HH2 TRP 2 HH2 TRP 2 -8.929 -11.533 -6.186 16 H LEU 3 H LEU 3 -2.728 -11.055 -2.614 17 HA LEU 3 HA LEU 3 -0.767 -9.632 -0.935 18 HB2 LEU 3 HB2 LEU 3 0.788 -10.154 -2.943 19 HB3 LEU 3 HB3 LEU 3 0.472 -11.395 -1.732 20 HG LEU 3 HG LEU 3 -1.228 -11.342 -4.176 21 HD11 LEU 3 HD11 LEU 3 1.653 -11.606 -4.215 22 HD12 LEU 3 HD12 LEU 3 0.508 -11.512 -5.553 23 HD13 LEU 3 HD13 LEU 3 0.851 -13.066 -4.795 24 HD21 LEU 3 HD21 LEU 3 -1.014 -12.975 -1.973 25 HD22 LEU 3 HD22 LEU 3 -0.114 -13.853 -3.209 26 HD23 LEU 3 HD23 LEU 3 -1.792 -13.393 -3.499 27 H SER 4 H SER 4 -2.352 -9.751 -4.100 28 HA SER 4 HA SER 4 -2.750 -8.155 -5.676 29 HB2 SER 4 HB2 SER 4 -2.927 -6.619 -3.099 30 HB3 SER 4 HB3 SER 4 -3.130 -5.794 -4.645 31 HG SER 4 HG SER 4 -4.888 -7.076 -5.085 32 H LYS 5 H LYS 5 -0.571 -8.540 -6.500 33 HA LYS 5 HA LYS 5 1.630 -6.919 -5.772 34 HB2 LYS 5 HB2 LYS 5 1.067 -8.995 -7.679 35 HB3 LYS 5 HB3 LYS 5 1.932 -7.687 -8.474 36 HG2 LYS 5 HG2 LYS 5 3.723 -8.844 -7.744 37 HG3 LYS 5 HG3 LYS 5 3.433 -7.909 -6.276 38 HD2 LYS 5 HD2 LYS 5 1.875 -9.906 -5.649 39 HD3 LYS 5 HD3 LYS 5 2.828 -10.781 -6.850 40 HE2 LYS 5 HE2 LYS 5 4.561 -9.285 -5.122 41 HE3 LYS 5 HE3 LYS 5 3.473 -10.283 -4.159 42 HZ1 LYS 5 HZ1 LYS 5 4.465 -11.765 -6.351 43 HZ2 LYS 5 HZ2 LYS 5 4.632 -12.075 -4.697 44 HZ3 LYS 5 HZ3 LYS 5 5.759 -11.094 -5.491 45 H THR 6 H THR 6 2.670 -5.289 -7.121 46 HA THR 6 HA THR 6 0.754 -3.723 -8.719 47 HB THR 6 HB THR 6 1.896 -1.658 -7.858 48 HG1 THR 6 HG1 THR 6 3.030 -1.974 -5.827 49 HG21 THR 6 HG21 THR 6 0.127 -3.445 -6.322 50 HG22 THR 6 HG22 THR 6 -0.094 -1.760 -6.792 51 HG23 THR 6 HG23 THR 6 0.898 -2.161 -5.391 52 H ALA 7 H ALA 7 1.819 -2.159 -10.195 53 HA ALA 7 HA ALA 7 3.279 -1.637 -11.863 54 HB1 ALA 7 HB1 ALA 7 4.857 -1.650 -9.797 55 HB2 ALA 7 HB2 ALA 7 5.474 -3.143 -10.507 56 HB3 ALA 7 HB3 ALA 7 5.544 -1.636 -11.421 57 H LYS 8 H LYS 8 1.960 -4.431 -11.457 58 HA LYS 8 HA LYS 8 3.460 -6.402 -12.704 59 HB2 LYS 8 HB2 LYS 8 1.435 -7.085 -11.726 60 HB3 LYS 8 HB3 LYS 8 0.503 -5.869 -12.590 61 HG2 LYS 8 HG2 LYS 8 0.320 -7.134 -14.458 62 HG3 LYS 8 HG3 LYS 8 1.897 -7.893 -14.233 63 HD2 LYS 8 HD2 LYS 8 1.046 -9.400 -12.619 64 HD3 LYS 8 HD3 LYS 8 -0.459 -8.492 -12.459 65 HE2 LYS 8 HE2 LYS 8 -0.620 -9.043 -15.049 66 HE3 LYS 8 HE3 LYS 8 0.410 -10.392 -14.573 67 HZ1 LYS 8 HZ1 LYS 8 -2.297 -10.333 -14.408 68 HZ2 LYS 8 HZ2 LYS 8 -1.826 -10.007 -12.817 69 HZ3 LYS 8 HZ3 LYS 8 -1.288 -11.414 -13.586 70 H LYS 9 H LYS 9 1.945 -3.599 -14.047 71 HA LYS 9 HA LYS 9 3.306 -3.761 -16.483 72 HB2 LYS 9 HB2 LYS 9 1.282 -5.574 -16.513 73 HB3 LYS 9 HB3 LYS 9 0.459 -4.159 -17.157 74 HG2 LYS 9 HG2 LYS 9 3.081 -5.094 -18.268 75 HG3 LYS 9 HG3 LYS 9 1.542 -5.764 -18.814 76 HD2 LYS 9 HD2 LYS 9 0.796 -3.457 -19.358 77 HD3 LYS 9 HD3 LYS 9 2.408 -2.876 -18.934 78 HE2 LYS 9 HE2 LYS 9 3.404 -4.095 -20.715 79 HE3 LYS 9 HE3 LYS 9 1.916 -4.988 -21.022 80 HZ1 LYS 9 HZ1 LYS 9 1.000 -3.263 -22.140 81 HZ2 LYS 9 HZ2 LYS 9 2.623 -2.900 -22.451 82 HZ3 LYS 9 HZ3 LYS 9 1.792 -2.079 -21.227 83 H LEU 10 H LEU 10 2.817 -1.795 -14.578 84 HA LEU 10 HA LEU 10 1.103 0.103 -16.041 85 HB2 LEU 10 HB2 LEU 10 1.911 0.657 -13.245 86 HB3 LEU 10 HB3 LEU 10 0.415 1.051 -14.089 87 HG LEU 10 HG LEU 10 1.177 -1.641 -12.957 88 HD11 LEU 10 HD11 LEU 10 0.586 -0.135 -11.202 89 HD12 LEU 10 HD12 LEU 10 -0.788 -1.203 -11.485 90 HD13 LEU 10 HD13 LEU 10 -0.816 0.449 -12.100 91 HD21 LEU 10 HD21 LEU 10 -0.871 -0.802 -14.884 92 HD22 LEU 10 HD22 LEU 10 -1.475 -1.761 -13.533 93 HD23 LEU 10 HD23 LEU 10 -0.195 -2.399 -14.565 94 H GLU 11 H GLU 11 3.871 0.202 -13.787 95 HA GLU 11 HA GLU 11 4.879 2.661 -14.520 96 HB2 GLU 11 HB2 GLU 11 5.711 0.526 -12.901 97 HB3 GLU 11 HB3 GLU 11 7.042 0.815 -14.011 98 HG2 GLU 11 HG2 GLU 11 7.454 2.914 -13.196 99 HG3 GLU 11 HG3 GLU 11 5.800 3.136 -12.628 100 H ASN 12 H ASN 12 5.243 3.316 -16.540 101 HA ASN 12 HA ASN 12 6.497 1.466 -18.440 102 HB2 ASN 12 HB2 ASN 12 4.431 3.416 -18.673 103 HB3 ASN 12 HB3 ASN 12 5.781 3.933 -19.680 104 HD21 ASN 12 HD21 ASN 12 4.430 0.759 -18.851 105 HD22 ASN 12 HD22 ASN 12 4.195 0.244 -20.484 106 H SER 13 H SER 13 7.026 4.396 -16.672 107 HA SER 13 HA SER 13 9.795 4.389 -17.042 108 HB2 SER 13 HB2 SER 13 8.613 5.287 -19.339 109 HB3 SER 13 HB3 SER 13 8.885 6.799 -18.472 110 HG SER 13 HG SER 13 10.724 4.964 -19.487 111 H ALA 14 H ALA 14 7.955 4.719 -14.936 112 HA ALA 14 HA ALA 14 8.361 7.522 -14.136 113 HB1 ALA 14 HB1 ALA 14 6.679 6.391 -12.260 114 HB2 ALA 14 HB2 ALA 14 6.197 7.406 -13.620 115 HB3 ALA 14 HB3 ALA 14 6.173 5.650 -13.779 116 H LYS 15 H LYS 15 9.869 4.673 -13.849 117 HA LYS 15 HA LYS 15 10.536 4.954 -11.009 118 HB2 LYS 15 HB2 LYS 15 11.325 2.748 -11.055 119 HB3 LYS 15 HB3 LYS 15 9.905 2.711 -12.092 120 HG2 LYS 15 HG2 LYS 15 12.620 3.140 -13.265 121 HG3 LYS 15 HG3 LYS 15 12.062 1.516 -12.853 122 HD2 LYS 15 HD2 LYS 15 10.937 1.434 -14.768 123 HD3 LYS 15 HD3 LYS 15 9.962 2.810 -14.244 124 HE2 LYS 15 HE2 LYS 15 11.085 4.259 -15.550 125 HE3 LYS 15 HE3 LYS 15 12.642 3.497 -15.230 126 HZ1 LYS 15 HZ1 LYS 15 12.472 2.196 -17.036 127 HZ2 LYS 15 HZ2 LYS 15 11.381 3.371 -17.574 128 HZ3 LYS 15 HZ3 LYS 15 10.808 1.950 -16.858 129 H LYS 16 H LYS 16 11.792 5.482 -14.175 130 HA LYS 16 HA LYS 16 14.556 5.603 -13.349 131 HB2 LYS 16 HB2 LYS 16 13.225 5.323 -15.788 132 HB3 LYS 16 HB3 LYS 16 13.974 6.912 -15.873 133 HG2 LYS 16 HG2 LYS 16 15.515 5.377 -16.792 134 HG3 LYS 16 HG3 LYS 16 16.132 5.819 -15.199 135 HD2 LYS 16 HD2 LYS 16 14.629 3.662 -14.568 136 HD3 LYS 16 HD3 LYS 16 15.141 3.231 -16.201 137 HE2 LYS 16 HE2 LYS 16 17.325 4.312 -14.634 138 HE3 LYS 16 HE3 LYS 16 16.596 2.908 -13.857 139 HZ1 LYS 16 HZ1 LYS 16 17.917 1.754 -15.216 140 HZ2 LYS 16 HZ2 LYS 16 18.183 3.061 -16.256 141 HZ3 LYS 16 HZ3 LYS 16 16.790 2.117 -16.425 142 H ARG 17 H ARG 17 11.894 7.816 -13.799 143 HA ARG 17 HA ARG 17 13.478 10.197 -13.747 144 HB2 ARG 17 HB2 ARG 17 11.424 11.384 -13.719 145 HB3 ARG 17 HB3 ARG 17 11.160 9.974 -14.737 146 HG2 ARG 17 HG2 ARG 17 10.264 8.896 -12.545 147 HG3 ARG 17 HG3 ARG 17 10.096 10.571 -12.016 148 HD2 ARG 17 HD2 ARG 17 8.991 9.608 -14.638 149 HD3 ARG 17 HD3 ARG 17 8.078 9.475 -13.136 150 HE ARG 17 HE ARG 17 8.522 11.842 -14.674 151 HH11 ARG 17 HH11 ARG 17 7.991 10.634 -11.452 152 HH12 ARG 17 HH12 ARG 17 7.312 12.116 -10.867 153 HH21 ARG 17 HH21 ARG 17 7.628 13.799 -13.916 154 HH22 ARG 17 HH22 ARG 17 7.105 13.916 -12.270 155 H ILE 18 H ILE 18 11.895 8.198 -11.354 156 HA ILE 18 HA ILE 18 12.265 10.114 -9.223 157 HB ILE 18 HB ILE 18 11.314 8.463 -7.759 158 HG12 ILE 18 HG12 ILE 18 11.558 6.545 -10.087 159 HG13 ILE 18 HG13 ILE 18 12.500 6.492 -8.601 160 HG21 ILE 18 HG21 ILE 18 9.753 9.692 -9.156 161 HG22 ILE 18 HG22 ILE 18 9.897 8.472 -10.420 162 HG23 ILE 18 HG23 ILE 18 9.165 8.054 -8.872 163 HD11 ILE 18 HD11 ILE 18 10.884 4.871 -8.278 164 HD12 ILE 18 HD12 ILE 18 10.222 6.267 -7.428 165 HD13 ILE 18 HD13 ILE 18 9.617 5.841 -9.029 166 H SER 19 H SER 19 13.975 7.420 -10.584 167 HA SER 19 HA SER 19 15.617 6.774 -8.386 168 HB2 SER 19 HB2 SER 19 16.989 5.578 -9.958 169 HB3 SER 19 HB3 SER 19 15.311 5.382 -10.463 170 HG SER 19 HG SER 19 17.056 6.036 -12.071 171 H GLU 20 H GLU 20 15.527 9.519 -10.362 172 HA GLU 20 HA GLU 20 18.332 10.185 -10.076 173 HB2 GLU 20 HB2 GLU 20 16.415 10.871 -11.914 174 HB3 GLU 20 HB3 GLU 20 16.503 12.319 -10.920 175 HG2 GLU 20 HG2 GLU 20 19.049 12.129 -11.260 176 HG3 GLU 20 HG3 GLU 20 18.632 11.049 -12.590 177 H GLY 21 H GLY 21 15.220 11.408 -8.867 178 HA2 GLY 21 HA2 GLY 21 16.492 13.327 -7.133 179 HA3 GLY 21 HA3 GLY 21 14.775 12.958 -7.203 180 H ILE 22 H ILE 22 15.075 10.125 -6.772 181 HA ILE 22 HA ILE 22 15.156 10.140 -3.915 182 HB ILE 22 HB ILE 22 14.945 7.813 -5.829 183 HG12 ILE 22 HG12 ILE 22 12.796 9.252 -4.259 184 HG13 ILE 22 HG13 ILE 22 13.105 9.480 -5.977 185 HG21 ILE 22 HG21 ILE 22 14.514 7.973 -2.851 186 HG22 ILE 22 HG22 ILE 22 14.032 6.608 -3.857 187 HG23 ILE 22 HG23 ILE 22 15.737 7.031 -3.703 188 HD11 ILE 22 HD11 ILE 22 11.233 8.005 -5.669 189 HD12 ILE 22 HD12 ILE 22 12.587 7.101 -6.348 190 HD13 ILE 22 HD13 ILE 22 12.193 6.947 -4.636 191 H ALA 23 H ALA 23 17.445 9.507 -6.402 192 HA ALA 23 HA ALA 23 19.194 7.820 -4.910 193 HB1 ALA 23 HB1 ALA 23 19.502 9.423 -7.427 194 HB2 ALA 23 HB2 ALA 23 20.865 8.569 -6.703 195 HB3 ALA 23 HB3 ALA 23 19.440 7.671 -7.228 196 H ILE 24 H ILE 24 18.927 11.296 -5.401 197 HA ILE 24 HA ILE 24 21.345 11.805 -3.867 198 HB ILE 24 HB ILE 24 20.898 14.178 -4.304 199 HG12 ILE 24 HG12 ILE 24 18.460 13.176 -5.791 200 HG13 ILE 24 HG13 ILE 24 18.432 14.055 -4.266 201 HG21 ILE 24 HG21 ILE 24 21.859 12.385 -6.031 202 HG22 ILE 24 HG22 ILE 24 20.483 12.963 -6.969 203 HG23 ILE 24 HG23 ILE 24 21.713 14.099 -6.419 204 HD11 ILE 24 HD11 ILE 24 18.710 15.035 -6.991 205 HD12 ILE 24 HD12 ILE 24 18.175 15.867 -5.530 206 HD13 ILE 24 HD13 ILE 24 19.897 15.710 -5.875 207 H ALA 25 H ALA 25 17.891 11.824 -3.456 208 HA ALA 25 HA ALA 25 17.728 13.429 -1.146 209 HB1 ALA 25 HB1 ALA 25 15.967 11.700 -2.659 210 HB2 ALA 25 HB2 ALA 25 15.674 11.584 -0.923 211 HB3 ALA 25 HB3 ALA 25 15.598 13.152 -1.728 212 H ILE 26 H ILE 26 18.448 10.028 -1.624 213 HA ILE 26 HA ILE 26 18.481 9.546 1.254 214 HB ILE 26 HB ILE 26 19.052 7.615 -0.997 215 HG12 ILE 26 HG12 ILE 26 16.770 8.356 -1.187 216 HG13 ILE 26 HG13 ILE 26 16.758 6.750 -0.468 217 HG21 ILE 26 HG21 ILE 26 18.442 5.963 0.876 218 HG22 ILE 26 HG22 ILE 26 20.038 6.712 0.909 219 HG23 ILE 26 HG23 ILE 26 18.761 7.309 1.970 220 HD11 ILE 26 HD11 ILE 26 15.160 8.200 0.625 221 HD12 ILE 26 HD12 ILE 26 16.452 7.755 1.741 222 HD13 ILE 26 HD13 ILE 26 16.438 9.356 1.002 223 H GLN 27 H GLN 27 20.638 10.098 -1.400 224 HA GLN 27 HA GLN 27 22.994 8.963 -0.458 225 HB2 GLN 27 HB2 GLN 27 22.789 9.893 -2.703 226 HB3 GLN 27 HB3 GLN 27 22.625 11.513 -2.039 227 HG2 GLN 27 HG2 GLN 27 24.863 11.583 -1.357 228 HG3 GLN 27 HG3 GLN 27 25.059 9.840 -1.533 229 HE21 GLN 27 HE21 GLN 27 23.816 12.409 -3.644 230 HE22 GLN 27 HE22 GLN 27 24.843 12.041 -4.983 231 H GLY 28 H GLY 28 21.281 11.770 0.627 232 HA2 GLY 28 HA2 GLY 28 23.515 12.380 2.465 233 HA3 GLY 28 HA3 GLY 28 22.436 13.609 1.820 234 H GLY 29 H GLY 29 20.981 10.617 2.647 235 HA2 GLY 29 HA2 GLY 29 19.797 11.903 5.021 236 HA3 GLY 29 HA3 GLY 29 19.019 10.659 4.054 237 HA PRO 30 HA PRO 30 20.804 8.664 7.842 238 HB2 PRO 30 HB2 PRO 30 18.575 7.227 8.423 239 HB3 PRO 30 HB3 PRO 30 18.823 8.884 8.985 240 HG2 PRO 30 HG2 PRO 30 17.219 7.893 6.660 241 HG3 PRO 30 HG3 PRO 30 16.807 9.137 7.854 242 HD2 PRO 30 HD2 PRO 30 17.713 9.741 5.375 243 HD3 PRO 30 HD3 PRO 30 18.063 10.752 6.792 244 H ARG 31 H ARG 31 19.447 7.656 4.859 245 HA ARG 31 HA ARG 31 20.577 4.958 5.223 246 HB2 ARG 31 HB2 ARG 31 17.987 5.696 4.442 247 HB3 ARG 31 HB3 ARG 31 18.784 5.170 2.965 248 HG2 ARG 31 HG2 ARG 31 18.991 3.013 3.677 249 HG3 ARG 31 HG3 ARG 31 19.049 3.466 5.382 250 HD2 ARG 31 HD2 ARG 31 16.700 3.838 5.445 251 HD3 ARG 31 HD3 ARG 31 16.572 3.718 3.691 252 HE ARG 31 HE ARG 31 17.596 1.331 4.889 253 HH11 ARG 31 HH11 ARG 31 14.692 3.103 4.149 254 HH12 ARG 31 HH12 ARG 31 13.683 1.695 4.123 255 HH21 ARG 31 HH21 ARG 31 16.278 -0.531 4.857 256 HH22 ARG 31 HH22 ARG 31 14.586 -0.372 4.527 Start of MODEL 10 1 H1 SER 1 H SER 1 1.688 -15.602 0.400 2 HA SER 1 HA SER 1 1.626 -13.327 0.559 3 HB2 SER 1 HB2 SER 1 3.656 -13.058 -0.618 4 HB3 SER 1 HB3 SER 1 2.938 -13.576 -2.144 5 HG SER 1 HG SER 1 3.299 -11.189 -1.643 6 H TRP 2 H TRP 2 0.092 -11.757 0.204 7 HA TRP 2 HA TRP 2 -1.868 -12.318 -1.924 8 HB2 TRP 2 HB2 TRP 2 -2.233 -11.870 0.977 9 HB3 TRP 2 HB3 TRP 2 -3.372 -11.034 -0.075 10 HD1 TRP 2 HD1 TRP 2 -5.045 -12.554 -1.531 11 HE1 TRP 2 HE1 TRP 2 -5.836 -14.985 -1.232 12 HE3 TRP 2 HE3 TRP 2 -1.484 -14.167 1.764 13 HZ2 TRP 2 HZ2 TRP 2 -5.055 -17.282 0.210 14 HZ3 TRP 2 HZ3 TRP 2 -1.578 -16.496 2.555 15 HH2 TRP 2 HH2 TRP 2 -3.327 -18.019 1.794 16 H LEU 3 H LEU 3 -1.118 -10.814 -3.380 17 HA LEU 3 HA LEU 3 -1.602 -8.022 -2.645 18 HB2 LEU 3 HB2 LEU 3 0.953 -9.202 -3.572 19 HB3 LEU 3 HB3 LEU 3 0.496 -7.641 -4.249 20 HG LEU 3 HG LEU 3 0.204 -6.961 -1.743 21 HD11 LEU 3 HD11 LEU 3 1.344 -9.612 -1.550 22 HD12 LEU 3 HD12 LEU 3 0.677 -8.574 -0.290 23 HD13 LEU 3 HD13 LEU 3 2.365 -8.402 -0.773 24 HD21 LEU 3 HD21 LEU 3 2.658 -6.402 -1.674 25 HD22 LEU 3 HD22 LEU 3 1.799 -5.879 -3.123 26 HD23 LEU 3 HD23 LEU 3 2.828 -7.311 -3.176 27 H SER 4 H SER 4 -2.262 -6.699 -4.344 28 HA SER 4 HA SER 4 -3.806 -7.847 -6.339 29 HB2 SER 4 HB2 SER 4 -2.555 -5.090 -6.290 30 HB3 SER 4 HB3 SER 4 -3.863 -5.589 -7.363 31 HG SER 4 HG SER 4 -4.942 -6.179 -5.260 32 H LYS 5 H LYS 5 -0.959 -5.862 -7.109 33 HA LYS 5 HA LYS 5 0.146 -7.922 -8.809 34 HB2 LYS 5 HB2 LYS 5 -0.003 -6.737 -10.878 35 HB3 LYS 5 HB3 LYS 5 -1.625 -6.807 -10.201 36 HG2 LYS 5 HG2 LYS 5 -0.405 -4.431 -9.263 37 HG3 LYS 5 HG3 LYS 5 -0.129 -4.535 -11.003 38 HD2 LYS 5 HD2 LYS 5 -2.803 -4.785 -9.625 39 HD3 LYS 5 HD3 LYS 5 -2.216 -3.357 -10.482 40 HE2 LYS 5 HE2 LYS 5 -1.897 -5.440 -12.293 41 HE3 LYS 5 HE3 LYS 5 -3.445 -5.769 -11.516 42 HZ1 LYS 5 HZ1 LYS 5 -4.395 -4.010 -12.490 43 HZ2 LYS 5 HZ2 LYS 5 -3.103 -4.088 -13.579 44 HZ3 LYS 5 HZ3 LYS 5 -3.047 -3.011 -12.276 45 H THR 6 H THR 6 1.941 -6.568 -10.266 46 HA THR 6 HA THR 6 3.246 -4.471 -8.831 47 HB THR 6 HB THR 6 5.376 -6.129 -8.681 48 HG1 THR 6 HG1 THR 6 4.772 -8.144 -8.111 49 HG21 THR 6 HG21 THR 6 5.288 -5.483 -6.544 50 HG22 THR 6 HG22 THR 6 3.802 -6.391 -6.264 51 HG23 THR 6 HG23 THR 6 3.726 -4.752 -6.910 52 H ALA 7 H ALA 7 2.971 -3.680 -11.026 53 HA ALA 7 HA ALA 7 3.767 -3.108 -13.080 54 HB1 ALA 7 HB1 ALA 7 5.888 -2.987 -11.658 55 HB2 ALA 7 HB2 ALA 7 6.324 -4.526 -12.401 56 HB3 ALA 7 HB3 ALA 7 6.084 -3.098 -13.408 57 H LYS 8 H LYS 8 2.619 -5.874 -12.481 58 HA LYS 8 HA LYS 8 3.752 -7.830 -14.085 59 HB2 LYS 8 HB2 LYS 8 0.921 -7.264 -13.257 60 HB3 LYS 8 HB3 LYS 8 1.286 -8.606 -14.334 61 HG2 LYS 8 HG2 LYS 8 3.099 -8.888 -12.256 62 HG3 LYS 8 HG3 LYS 8 1.597 -8.395 -11.469 63 HD2 LYS 8 HD2 LYS 8 1.366 -10.693 -11.540 64 HD3 LYS 8 HD3 LYS 8 0.519 -10.200 -13.008 65 HE2 LYS 8 HE2 LYS 8 2.159 -11.005 -14.389 66 HE3 LYS 8 HE3 LYS 8 3.430 -10.782 -13.188 67 HZ1 LYS 8 HZ1 LYS 8 2.091 -13.126 -13.812 68 HZ2 LYS 8 HZ2 LYS 8 1.563 -12.687 -12.266 69 HZ3 LYS 8 HZ3 LYS 8 3.216 -12.883 -12.571 70 H LYS 9 H LYS 9 2.012 -4.979 -14.978 71 HA LYS 9 HA LYS 9 2.770 -5.090 -17.665 72 HB2 LYS 9 HB2 LYS 9 0.767 -6.887 -17.262 73 HB3 LYS 9 HB3 LYS 9 -0.158 -5.451 -17.683 74 HG2 LYS 9 HG2 LYS 9 2.149 -6.151 -19.408 75 HG3 LYS 9 HG3 LYS 9 0.707 -7.165 -19.505 76 HD2 LYS 9 HD2 LYS 9 -0.646 -5.133 -19.907 77 HD3 LYS 9 HD3 LYS 9 0.838 -4.175 -19.904 78 HE2 LYS 9 HE2 LYS 9 1.667 -5.420 -21.820 79 HE3 LYS 9 HE3 LYS 9 0.231 -6.443 -21.799 80 HZ1 LYS 9 HZ1 LYS 9 -0.568 -3.753 -21.885 81 HZ2 LYS 9 HZ2 LYS 9 -0.815 -4.961 -23.041 82 HZ3 LYS 9 HZ3 LYS 9 0.579 -4.005 -23.103 83 H LEU 10 H LEU 10 2.742 -3.173 -15.641 84 HA LEU 10 HA LEU 10 1.167 -1.089 -16.943 85 HB2 LEU 10 HB2 LEU 10 0.787 -0.266 -14.448 86 HB3 LEU 10 HB3 LEU 10 -0.355 -1.315 -15.286 87 HG LEU 10 HG LEU 10 1.737 -2.713 -13.761 88 HD11 LEU 10 HD11 LEU 10 1.535 -1.364 -11.970 89 HD12 LEU 10 HD12 LEU 10 0.033 -2.255 -11.727 90 HD13 LEU 10 HD13 LEU 10 0.005 -0.680 -12.520 91 HD21 LEU 10 HD21 LEU 10 -1.238 -3.040 -13.590 92 HD22 LEU 10 HD22 LEU 10 0.028 -4.244 -13.348 93 HD23 LEU 10 HD23 LEU 10 -0.326 -3.649 -14.971 94 H GLU 11 H GLU 11 3.129 -1.387 -13.978 95 HA GLU 11 HA GLU 11 4.379 1.067 -14.118 96 HB2 GLU 11 HB2 GLU 11 4.629 -1.275 -12.560 97 HB3 GLU 11 HB3 GLU 11 6.245 -0.884 -13.130 98 HG2 GLU 11 HG2 GLU 11 6.093 0.246 -11.118 99 HG3 GLU 11 HG3 GLU 11 5.743 1.493 -12.313 100 H ASN 12 H ASN 12 5.342 1.851 -15.885 101 HA ASN 12 HA ASN 12 7.459 0.224 -17.126 102 HB2 ASN 12 HB2 ASN 12 5.418 1.975 -18.507 103 HB3 ASN 12 HB3 ASN 12 6.862 1.353 -19.300 104 HD21 ASN 12 HD21 ASN 12 5.312 0.374 -20.759 105 HD22 ASN 12 HD22 ASN 12 4.599 -1.142 -20.337 106 H SER 13 H SER 13 6.223 3.458 -16.434 107 HA SER 13 HA SER 13 8.991 4.457 -16.570 108 HB2 SER 13 HB2 SER 13 7.060 5.227 -18.313 109 HB3 SER 13 HB3 SER 13 6.825 6.418 -17.033 110 HG SER 13 HG SER 13 8.438 7.393 -17.962 111 H ALA 14 H ALA 14 6.505 3.750 -14.577 112 HA ALA 14 HA ALA 14 6.371 6.037 -12.900 113 HB1 ALA 14 HB1 ALA 14 5.728 3.881 -11.296 114 HB2 ALA 14 HB2 ALA 14 4.606 4.834 -12.268 115 HB3 ALA 14 HB3 ALA 14 5.291 3.345 -12.919 116 H LYS 15 H LYS 15 8.675 3.523 -13.268 117 HA LYS 15 HA LYS 15 9.787 3.725 -10.620 118 HB2 LYS 15 HB2 LYS 15 11.518 2.225 -11.446 119 HB3 LYS 15 HB3 LYS 15 9.929 1.635 -11.915 120 HG2 LYS 15 HG2 LYS 15 11.036 1.346 -13.876 121 HG3 LYS 15 HG3 LYS 15 10.456 2.997 -14.113 122 HD2 LYS 15 HD2 LYS 15 12.933 3.102 -12.712 123 HD3 LYS 15 HD3 LYS 15 13.129 2.046 -14.113 124 HE2 LYS 15 HE2 LYS 15 11.624 4.440 -14.754 125 HE3 LYS 15 HE3 LYS 15 13.214 4.820 -14.096 126 HZ1 LYS 15 HZ1 LYS 15 12.817 2.874 -16.294 127 HZ2 LYS 15 HZ2 LYS 15 14.265 3.585 -15.785 128 HZ3 LYS 15 HZ3 LYS 15 13.094 4.520 -16.570 129 H LYS 16 H LYS 16 9.939 5.609 -13.392 130 HA LYS 16 HA LYS 16 12.655 6.546 -12.997 131 HB2 LYS 16 HB2 LYS 16 12.043 6.504 -15.262 132 HB3 LYS 16 HB3 LYS 16 10.461 7.203 -14.942 133 HG2 LYS 16 HG2 LYS 16 12.794 8.878 -14.264 134 HG3 LYS 16 HG3 LYS 16 12.500 8.585 -15.979 135 HD2 LYS 16 HD2 LYS 16 10.355 9.536 -14.094 136 HD3 LYS 16 HD3 LYS 16 11.400 10.641 -14.990 137 HE2 LYS 16 HE2 LYS 16 10.308 8.629 -16.737 138 HE3 LYS 16 HE3 LYS 16 9.019 9.455 -15.863 139 HZ1 LYS 16 HZ1 LYS 16 9.228 11.001 -17.437 140 HZ2 LYS 16 HZ2 LYS 16 10.737 10.435 -17.949 141 HZ3 LYS 16 HZ3 LYS 16 10.632 11.485 -16.627 142 H ARG 17 H ARG 17 9.364 7.643 -12.402 143 HA ARG 17 HA ARG 17 10.039 10.282 -11.616 144 HB2 ARG 17 HB2 ARG 17 7.795 10.508 -10.945 145 HB3 ARG 17 HB3 ARG 17 7.745 9.378 -12.292 146 HG2 ARG 17 HG2 ARG 17 7.971 7.643 -10.258 147 HG3 ARG 17 HG3 ARG 17 7.128 8.962 -9.442 148 HD2 ARG 17 HD2 ARG 17 5.934 8.546 -11.997 149 HD3 ARG 17 HD3 ARG 17 6.059 6.993 -11.171 150 HE ARG 17 HE ARG 17 4.490 7.705 -9.654 151 HH11 ARG 17 HH11 ARG 17 5.624 10.420 -11.514 152 HH12 ARG 17 HH12 ARG 17 4.420 11.507 -10.906 153 HH21 ARG 17 HH21 ARG 17 2.899 9.126 -8.845 154 HH22 ARG 17 HH22 ARG 17 2.871 10.770 -9.387 155 H ILE 18 H ILE 18 10.153 7.224 -10.017 156 HA ILE 18 HA ILE 18 10.353 8.432 -7.372 157 HB ILE 18 HB ILE 18 10.202 6.289 -6.459 158 HG12 ILE 18 HG12 ILE 18 11.078 5.258 -9.161 159 HG13 ILE 18 HG13 ILE 18 11.970 5.175 -7.646 160 HG21 ILE 18 HG21 ILE 18 8.623 5.474 -8.779 161 HG22 ILE 18 HG22 ILE 18 8.123 5.786 -7.117 162 HG23 ILE 18 HG23 ILE 18 8.311 7.127 -8.248 163 HD11 ILE 18 HD11 ILE 18 11.179 3.057 -7.722 164 HD12 ILE 18 HD12 ILE 18 9.818 3.822 -6.900 165 HD13 ILE 18 HD13 ILE 18 9.738 3.507 -8.633 166 H SER 19 H SER 19 12.368 7.066 -9.855 167 HA SER 19 HA SER 19 14.664 6.524 -8.315 168 HB2 SER 19 HB2 SER 19 15.842 6.375 -10.389 169 HB3 SER 19 HB3 SER 19 14.214 5.771 -10.694 170 HG SER 19 HG SER 19 13.904 8.191 -11.252 171 H GLU 20 H GLU 20 13.211 9.460 -9.205 172 HA GLU 20 HA GLU 20 15.633 11.036 -9.147 173 HB2 GLU 20 HB2 GLU 20 13.152 11.417 -10.257 174 HB3 GLU 20 HB3 GLU 20 13.084 12.457 -8.842 175 HG2 GLU 20 HG2 GLU 20 15.365 13.339 -9.667 176 HG3 GLU 20 HG3 GLU 20 14.908 12.604 -11.203 177 H GLY 21 H GLY 21 12.780 10.600 -7.069 178 HA2 GLY 21 HA2 GLY 21 13.855 12.300 -5.004 179 HA3 GLY 21 HA3 GLY 21 12.386 11.340 -4.908 180 H ILE 22 H ILE 22 13.637 8.834 -5.583 181 HA ILE 22 HA ILE 22 14.517 8.085 -2.971 182 HB ILE 22 HB ILE 22 14.496 6.494 -5.538 183 HG12 ILE 22 HG12 ILE 22 12.564 6.469 -3.210 184 HG13 ILE 22 HG13 ILE 22 12.273 7.288 -4.740 185 HG21 ILE 22 HG21 ILE 22 14.956 5.653 -2.684 186 HG22 ILE 22 HG22 ILE 22 14.589 4.530 -3.992 187 HG23 ILE 22 HG23 ILE 22 16.065 5.493 -4.046 188 HD11 ILE 22 HD11 ILE 22 12.663 4.959 -5.784 189 HD12 ILE 22 HD12 ILE 22 12.363 4.365 -4.150 190 HD13 ILE 22 HD13 ILE 22 11.128 5.304 -4.988 191 H ALA 23 H ALA 23 16.092 9.088 -5.864 192 HA ALA 23 HA ALA 23 18.621 7.866 -5.386 193 HB1 ALA 23 HB1 ALA 23 19.404 9.676 -7.024 194 HB2 ALA 23 HB2 ALA 23 18.241 8.482 -7.606 195 HB3 ALA 23 HB3 ALA 23 17.697 10.100 -7.161 196 H ILE 24 H ILE 24 17.166 10.948 -4.513 197 HA ILE 24 HA ILE 24 19.641 11.896 -3.315 198 HB ILE 24 HB ILE 24 18.390 13.934 -2.782 199 HG12 ILE 24 HG12 ILE 24 16.050 12.515 -4.074 200 HG13 ILE 24 HG13 ILE 24 16.199 12.896 -2.362 201 HG21 ILE 24 HG21 ILE 24 18.797 14.697 -4.834 202 HG22 ILE 24 HG22 ILE 24 19.133 13.028 -5.290 203 HG23 ILE 24 HG23 ILE 24 17.522 13.701 -5.536 204 HD11 ILE 24 HD11 ILE 24 15.266 14.862 -2.723 205 HD12 ILE 24 HD12 ILE 24 16.570 15.291 -3.831 206 HD13 ILE 24 HD13 ILE 24 15.126 14.482 -4.440 207 H ALA 25 H ALA 25 16.577 10.521 -2.368 208 HA ALA 25 HA ALA 25 16.621 11.196 0.364 209 HB1 ALA 25 HB1 ALA 25 15.427 8.648 -0.668 210 HB2 ALA 25 HB2 ALA 25 14.862 9.693 0.637 211 HB3 ALA 25 HB3 ALA 25 14.706 10.215 -1.040 212 H ILE 26 H ILE 26 18.046 8.527 -1.438 213 HA ILE 26 HA ILE 26 19.040 7.288 1.002 214 HB ILE 26 HB ILE 26 19.422 6.479 -1.884 215 HG12 ILE 26 HG12 ILE 26 17.727 5.063 0.157 216 HG13 ILE 26 HG13 ILE 26 17.075 6.399 -0.785 217 HG21 ILE 26 HG21 ILE 26 20.362 5.321 0.699 218 HG22 ILE 26 HG22 ILE 26 19.968 4.245 -0.641 219 HG23 ILE 26 HG23 ILE 26 21.211 5.480 -0.838 220 HD11 ILE 26 HD11 ILE 26 16.463 4.378 -1.864 221 HD12 ILE 26 HD12 ILE 26 17.716 5.140 -2.845 222 HD13 ILE 26 HD13 ILE 26 18.118 3.773 -1.805 223 H GLN 27 H GLN 27 20.164 9.270 -1.634 224 HA GLN 27 HA GLN 27 22.909 8.861 -1.483 225 HB2 GLN 27 HB2 GLN 27 22.023 10.165 -3.275 226 HB3 GLN 27 HB3 GLN 27 21.311 11.327 -2.164 227 HG2 GLN 27 HG2 GLN 27 23.210 12.487 -1.964 228 HG3 GLN 27 HG3 GLN 27 24.207 11.035 -1.894 229 HE21 GLN 27 HE21 GLN 27 23.784 13.735 -3.578 230 HE22 GLN 27 HE22 GLN 27 24.262 13.215 -5.154 231 H GLY 28 H GLY 28 20.776 10.531 0.682 232 HA2 GLY 28 HA2 GLY 28 23.083 11.108 2.416 233 HA3 GLY 28 HA3 GLY 28 21.914 12.378 2.085 234 H GLY 29 H GLY 29 20.751 9.137 2.325 235 HA2 GLY 29 HA2 GLY 29 18.977 9.777 4.432 236 HA3 GLY 29 HA3 GLY 29 19.299 8.163 3.814 237 HA PRO 30 HA PRO 30 21.542 7.074 7.412 238 HB2 PRO 30 HB2 PRO 30 23.721 5.766 6.457 239 HB3 PRO 30 HB3 PRO 30 22.091 5.086 6.398 240 HG2 PRO 30 HG2 PRO 30 23.648 6.463 4.244 241 HG3 PRO 30 HG3 PRO 30 22.646 5.003 4.142 242 HD2 PRO 30 HD2 PRO 30 21.766 7.434 3.335 243 HD3 PRO 30 HD3 PRO 30 20.684 6.206 4.024 244 H ARG 31 H ARG 31 23.197 8.969 5.016 245 HA ARG 31 HA ARG 31 25.299 9.697 6.923 246 HB2 ARG 31 HB2 ARG 31 26.011 9.061 4.657 247 HB3 ARG 31 HB3 ARG 31 25.022 10.350 3.984 248 HG2 ARG 31 HG2 ARG 31 26.915 11.260 6.013 249 HG3 ARG 31 HG3 ARG 31 27.673 10.539 4.591 250 HD2 ARG 31 HD2 ARG 31 25.617 12.746 4.543 251 HD3 ARG 31 HD3 ARG 31 27.357 12.974 4.369 252 HE ARG 31 HE ARG 31 26.687 11.172 2.423 253 HH11 ARG 31 HH11 ARG 31 25.673 14.389 3.282 254 HH12 ARG 31 HH12 ARG 31 25.288 14.843 1.654 255 HH21 ARG 31 HH21 ARG 31 26.185 11.757 0.276 256 HH22 ARG 31 HH22 ARG 31 25.579 13.345 -0.054 Start of MODEL 11 1 H1 SER 1 H SER 1 -6.187 -2.026 -19.957 2 HA SER 1 HA SER 1 -8.941 -2.545 -19.530 3 HB2 SER 1 HB2 SER 1 -8.688 -4.227 -21.312 4 HB3 SER 1 HB3 SER 1 -7.915 -2.705 -21.754 5 HG SER 1 HG SER 1 -6.472 -4.305 -22.231 6 H TRP 2 H TRP 2 -9.689 -3.641 -17.843 7 HA TRP 2 HA TRP 2 -10.015 -5.289 -16.310 8 HB2 TRP 2 HB2 TRP 2 -9.421 -6.606 -18.624 9 HB3 TRP 2 HB3 TRP 2 -8.179 -7.236 -17.545 10 HD1 TRP 2 HD1 TRP 2 -8.886 -9.156 -15.982 11 HE1 TRP 2 HE1 TRP 2 -11.120 -10.266 -15.348 12 HE3 TRP 2 HE3 TRP 2 -12.089 -5.920 -18.306 13 HZ2 TRP 2 HZ2 TRP 2 -13.875 -9.829 -15.778 14 HZ3 TRP 2 HZ3 TRP 2 -14.509 -6.338 -18.147 15 HH2 TRP 2 HH2 TRP 2 -15.381 -8.252 -16.909 16 H LEU 3 H LEU 3 -7.716 -3.432 -16.138 17 HA LEU 3 HA LEU 3 -6.048 -3.009 -14.646 18 HB2 LEU 3 HB2 LEU 3 -7.528 -5.150 -13.479 19 HB3 LEU 3 HB3 LEU 3 -5.812 -5.423 -13.187 20 HG LEU 3 HG LEU 3 -5.702 -3.110 -12.221 21 HD11 LEU 3 HD11 LEU 3 -7.445 -1.810 -12.772 22 HD12 LEU 3 HD12 LEU 3 -8.232 -2.584 -11.397 23 HD13 LEU 3 HD13 LEU 3 -8.521 -3.183 -13.030 24 HD21 LEU 3 HD21 LEU 3 -7.680 -4.367 -10.500 25 HD22 LEU 3 HD22 LEU 3 -5.969 -4.046 -10.214 26 HD23 LEU 3 HD23 LEU 3 -6.461 -5.502 -11.081 27 H SER 4 H SER 4 -5.697 -6.537 -14.913 28 HA SER 4 HA SER 4 -3.980 -7.845 -15.635 29 HB2 SER 4 HB2 SER 4 -3.568 -5.508 -17.515 30 HB3 SER 4 HB3 SER 4 -2.756 -7.066 -17.670 31 HG SER 4 HG SER 4 -5.564 -6.646 -17.719 32 H LYS 5 H LYS 5 -3.542 -6.001 -13.425 33 HA LYS 5 HA LYS 5 -1.076 -4.714 -13.490 34 HB2 LYS 5 HB2 LYS 5 -1.073 -4.994 -11.023 35 HB3 LYS 5 HB3 LYS 5 -2.602 -4.389 -11.647 36 HG2 LYS 5 HG2 LYS 5 -3.135 -7.013 -11.651 37 HG3 LYS 5 HG3 LYS 5 -1.970 -6.948 -10.326 38 HD2 LYS 5 HD2 LYS 5 -4.128 -4.908 -10.368 39 HD3 LYS 5 HD3 LYS 5 -4.573 -6.563 -9.946 40 HE2 LYS 5 HE2 LYS 5 -2.244 -6.050 -8.504 41 HE3 LYS 5 HE3 LYS 5 -3.188 -4.566 -8.382 42 HZ1 LYS 5 HZ1 LYS 5 -4.232 -5.627 -6.738 43 HZ2 LYS 5 HZ2 LYS 5 -3.673 -7.151 -7.212 44 HZ3 LYS 5 HZ3 LYS 5 -5.038 -6.482 -7.955 45 H THR 6 H THR 6 0.860 -5.508 -13.941 46 HA THR 6 HA THR 6 1.475 -8.274 -13.124 47 HB THR 6 HB THR 6 1.456 -8.141 -15.532 48 HG1 THR 6 HG1 THR 6 3.444 -9.014 -15.834 49 HG21 THR 6 HG21 THR 6 1.925 -6.220 -16.561 50 HG22 THR 6 HG22 THR 6 3.625 -6.451 -16.149 51 HG23 THR 6 HG23 THR 6 2.571 -5.540 -15.068 52 H ALA 7 H ALA 7 2.462 -4.951 -13.085 53 HA ALA 7 HA ALA 7 4.076 -3.843 -11.925 54 HB1 ALA 7 HB1 ALA 7 3.232 -5.356 -10.092 55 HB2 ALA 7 HB2 ALA 7 4.601 -6.410 -10.448 56 HB3 ALA 7 HB3 ALA 7 4.880 -4.759 -9.896 57 H LYS 8 H LYS 8 4.675 -5.464 -14.361 58 HA LYS 8 HA LYS 8 7.130 -6.723 -14.298 59 HB2 LYS 8 HB2 LYS 8 5.614 -5.220 -16.373 60 HB3 LYS 8 HB3 LYS 8 7.302 -5.583 -16.705 61 HG2 LYS 8 HG2 LYS 8 6.936 -7.894 -16.645 62 HG3 LYS 8 HG3 LYS 8 5.374 -7.712 -15.844 63 HD2 LYS 8 HD2 LYS 8 4.311 -7.524 -17.796 64 HD3 LYS 8 HD3 LYS 8 5.440 -6.292 -18.364 65 HE2 LYS 8 HE2 LYS 8 5.898 -7.914 -19.890 66 HE3 LYS 8 HE3 LYS 8 7.018 -8.414 -18.623 67 HZ1 LYS 8 HZ1 LYS 8 5.964 -10.372 -19.057 68 HZ2 LYS 8 HZ2 LYS 8 4.493 -9.642 -19.463 69 HZ3 LYS 8 HZ3 LYS 8 4.949 -9.782 -17.840 70 H LYS 9 H LYS 9 6.399 -3.333 -14.079 71 HA LYS 9 HA LYS 9 8.901 -2.635 -13.048 72 HB2 LYS 9 HB2 LYS 9 9.712 -1.220 -14.977 73 HB3 LYS 9 HB3 LYS 9 9.868 -2.958 -15.197 74 HG2 LYS 9 HG2 LYS 9 7.336 -2.150 -16.208 75 HG3 LYS 9 HG3 LYS 9 8.576 -1.080 -16.866 76 HD2 LYS 9 HD2 LYS 9 9.844 -2.990 -17.658 77 HD3 LYS 9 HD3 LYS 9 8.683 -4.096 -16.921 78 HE2 LYS 9 HE2 LYS 9 7.516 -4.062 -18.810 79 HE3 LYS 9 HE3 LYS 9 7.195 -2.349 -18.544 80 HZ1 LYS 9 HZ1 LYS 9 9.795 -2.926 -19.662 81 HZ2 LYS 9 HZ2 LYS 9 8.661 -1.752 -20.107 82 HZ3 LYS 9 HZ3 LYS 9 8.499 -3.340 -20.668 83 H LEU 10 H LEU 10 6.172 -2.149 -12.498 84 HA LEU 10 HA LEU 10 6.182 0.783 -12.560 85 HB2 LEU 10 HB2 LEU 10 3.608 0.541 -12.752 86 HB3 LEU 10 HB3 LEU 10 4.608 0.456 -14.201 87 HG LEU 10 HG LEU 10 4.110 -2.156 -13.001 88 HD11 LEU 10 HD11 LEU 10 1.857 -0.316 -13.503 89 HD12 LEU 10 HD12 LEU 10 1.969 -1.713 -12.434 90 HD13 LEU 10 HD13 LEU 10 1.706 -1.945 -14.162 91 HD21 LEU 10 HD21 LEU 10 4.194 -2.820 -15.151 92 HD22 LEU 10 HD22 LEU 10 4.904 -1.225 -15.406 93 HD23 LEU 10 HD23 LEU 10 3.187 -1.486 -15.715 94 H GLU 11 H GLU 11 4.830 -2.160 -11.129 95 HA GLU 11 HA GLU 11 4.078 -2.639 -9.034 96 HB2 GLU 11 HB2 GLU 11 6.498 -1.154 -8.774 97 HB3 GLU 11 HB3 GLU 11 5.419 -0.670 -7.474 98 HG2 GLU 11 HG2 GLU 11 5.791 -3.568 -8.034 99 HG3 GLU 11 HG3 GLU 11 7.060 -2.685 -7.187 100 H ASN 12 H ASN 12 3.426 -1.306 -6.819 101 HA ASN 12 HA ASN 12 1.299 0.479 -7.748 102 HB2 ASN 12 HB2 ASN 12 1.665 -0.901 -5.078 103 HB3 ASN 12 HB3 ASN 12 0.269 0.066 -5.547 104 HD21 ASN 12 HD21 ASN 12 1.071 -2.939 -5.016 105 HD22 ASN 12 HD22 ASN 12 0.150 -3.767 -6.220 106 H SER 13 H SER 13 4.104 0.377 -5.659 107 HA SER 13 HA SER 13 4.535 3.137 -5.723 108 HB2 SER 13 HB2 SER 13 2.446 2.587 -4.021 109 HB3 SER 13 HB3 SER 13 3.824 2.621 -2.922 110 HG SER 13 HG SER 13 4.193 4.697 -3.419 111 H ALA 14 H ALA 14 5.949 0.633 -5.898 112 HA ALA 14 HA ALA 14 7.625 0.491 -3.533 113 HB1 ALA 14 HB1 ALA 14 7.572 -1.052 -6.114 114 HB2 ALA 14 HB2 ALA 14 8.827 -1.274 -4.893 115 HB3 ALA 14 HB3 ALA 14 7.141 -1.608 -4.496 116 H LYS 15 H LYS 15 7.703 1.859 -6.732 117 HA LYS 15 HA LYS 15 10.548 2.416 -6.620 118 HB2 LYS 15 HB2 LYS 15 10.344 3.221 -8.830 119 HB3 LYS 15 HB3 LYS 15 9.261 1.839 -8.742 120 HG2 LYS 15 HG2 LYS 15 8.210 4.588 -8.244 121 HG3 LYS 15 HG3 LYS 15 8.479 4.024 -9.895 122 HD2 LYS 15 HD2 LYS 15 6.490 3.030 -9.806 123 HD3 LYS 15 HD3 LYS 15 7.150 1.933 -8.590 124 HE2 LYS 15 HE2 LYS 15 6.168 3.042 -6.860 125 HE3 LYS 15 HE3 LYS 15 6.252 4.606 -7.671 126 HZ1 LYS 15 HZ1 LYS 15 4.013 4.137 -7.710 127 HZ2 LYS 15 HZ2 LYS 15 4.237 2.479 -7.956 128 HZ3 LYS 15 HZ3 LYS 15 4.497 3.564 -9.227 129 H LYS 16 H LYS 16 7.579 3.955 -5.808 130 HA LYS 16 HA LYS 16 8.681 6.633 -5.821 131 HB2 LYS 16 HB2 LYS 16 6.083 5.502 -5.820 132 HB3 LYS 16 HB3 LYS 16 6.230 6.447 -4.344 133 HG2 LYS 16 HG2 LYS 16 5.313 7.808 -6.107 134 HG3 LYS 16 HG3 LYS 16 6.923 8.391 -5.678 135 HD2 LYS 16 HD2 LYS 16 7.363 6.517 -7.688 136 HD3 LYS 16 HD3 LYS 16 5.928 7.403 -8.210 137 HE2 LYS 16 HE2 LYS 16 8.551 8.638 -7.373 138 HE3 LYS 16 HE3 LYS 16 8.002 8.428 -9.035 139 HZ1 LYS 16 HZ1 LYS 16 7.343 10.557 -8.651 140 HZ2 LYS 16 HZ2 LYS 16 7.080 10.317 -6.998 141 HZ3 LYS 16 HZ3 LYS 16 5.950 9.755 -8.124 142 H ARG 17 H ARG 17 8.104 4.054 -3.542 143 HA ARG 17 HA ARG 17 8.499 5.662 -1.202 144 HB2 ARG 17 HB2 ARG 17 8.281 3.669 0.033 145 HB3 ARG 17 HB3 ARG 17 7.212 3.463 -1.348 146 HG2 ARG 17 HG2 ARG 17 9.151 2.231 -2.452 147 HG3 ARG 17 HG3 ARG 17 9.880 2.193 -0.845 148 HD2 ARG 17 HD2 ARG 17 7.158 1.108 -1.561 149 HD3 ARG 17 HD3 ARG 17 8.618 0.142 -1.354 150 HE ARG 17 HE ARG 17 8.241 1.632 0.973 151 HH11 ARG 17 HH11 ARG 17 6.678 -0.931 -0.790 152 HH12 ARG 17 HH12 ARG 17 5.975 -1.649 0.621 153 HH21 ARG 17 HH21 ARG 17 7.320 0.696 2.838 154 HH22 ARG 17 HH22 ARG 17 6.340 -0.723 2.684 155 H ILE 18 H ILE 18 10.530 3.854 -3.368 156 HA ILE 18 HA ILE 18 12.815 3.919 -1.585 157 HB ILE 18 HB ILE 18 14.037 2.815 -3.364 158 HG12 ILE 18 HG12 ILE 18 11.534 3.130 -5.034 159 HG13 ILE 18 HG13 ILE 18 13.006 4.070 -5.246 160 HG21 ILE 18 HG21 ILE 18 12.838 1.301 -2.033 161 HG22 ILE 18 HG22 ILE 18 11.298 1.745 -2.767 162 HG23 ILE 18 HG23 ILE 18 12.481 0.821 -3.692 163 HD11 ILE 18 HD11 ILE 18 14.116 1.722 -5.495 164 HD12 ILE 18 HD12 ILE 18 12.471 1.216 -5.882 165 HD13 ILE 18 HD13 ILE 18 13.261 2.461 -6.848 166 H SER 19 H SER 19 11.508 5.764 -4.220 167 HA SER 19 HA SER 19 13.849 7.109 -5.026 168 HB2 SER 19 HB2 SER 19 12.348 8.722 -6.077 169 HB3 SER 19 HB3 SER 19 11.751 7.084 -6.345 170 HG SER 19 HG SER 19 10.772 9.056 -4.577 171 H GLU 20 H GLU 20 12.051 7.296 -2.166 172 HA GLU 20 HA GLU 20 12.720 10.051 -1.569 173 HB2 GLU 20 HB2 GLU 20 10.711 8.380 -0.735 174 HB3 GLU 20 HB3 GLU 20 11.799 8.360 0.646 175 HG2 GLU 20 HG2 GLU 20 11.631 11.036 -0.044 176 HG3 GLU 20 HG3 GLU 20 9.991 10.425 -0.258 177 H GLY 21 H GLY 21 13.620 6.826 -0.371 178 HA2 GLY 21 HA2 GLY 21 15.615 7.896 1.414 179 HA3 GLY 21 HA3 GLY 21 15.313 6.197 1.081 180 H ILE 22 H ILE 22 15.594 6.412 -1.779 181 HA ILE 22 HA ILE 22 18.434 6.142 -1.944 182 HB ILE 22 HB ILE 22 16.361 6.145 -4.141 183 HG12 ILE 22 HG12 ILE 22 17.752 3.838 -2.761 184 HG13 ILE 22 HG13 ILE 22 16.097 4.350 -2.444 185 HG21 ILE 22 HG21 ILE 22 18.502 6.665 -5.080 186 HG22 ILE 22 HG22 ILE 22 19.272 5.372 -4.163 187 HG23 ILE 22 HG23 ILE 22 18.132 4.981 -5.450 188 HD11 ILE 22 HD11 ILE 22 16.059 2.454 -3.894 189 HD12 ILE 22 HD12 ILE 22 15.561 3.872 -4.818 190 HD13 ILE 22 HD13 ILE 22 17.190 3.222 -5.008 191 H ALA 23 H ALA 23 16.209 8.714 -2.461 192 HA ALA 23 HA ALA 23 17.793 10.249 -4.268 193 HB1 ALA 23 HB1 ALA 23 16.271 12.136 -3.436 194 HB2 ALA 23 HB2 ALA 23 15.519 10.779 -4.277 195 HB3 ALA 23 HB3 ALA 23 15.440 10.879 -2.518 196 H ILE 24 H ILE 24 17.498 10.079 -0.764 197 HA ILE 24 HA ILE 24 19.345 12.294 -0.395 198 HB ILE 24 HB ILE 24 19.005 11.947 2.002 199 HG12 ILE 24 HG12 ILE 24 17.222 9.651 1.156 200 HG13 ILE 24 HG13 ILE 24 18.779 9.495 1.963 201 HG21 ILE 24 HG21 ILE 24 17.304 13.100 0.348 202 HG22 ILE 24 HG22 ILE 24 16.250 11.796 0.893 203 HG23 ILE 24 HG23 ILE 24 16.938 12.922 2.064 204 HD11 ILE 24 HD11 ILE 24 16.165 9.955 3.076 205 HD12 ILE 24 HD12 ILE 24 17.666 9.489 3.875 206 HD13 ILE 24 HD13 ILE 24 17.309 11.193 3.594 207 H ALA 25 H ALA 25 19.331 8.815 -0.341 208 HA ALA 25 HA ALA 25 21.703 8.385 1.120 209 HB1 ALA 25 HB1 ALA 25 19.877 6.807 -0.481 210 HB2 ALA 25 HB2 ALA 25 21.553 6.301 -0.700 211 HB3 ALA 25 HB3 ALA 25 20.847 6.340 0.916 212 H ILE 26 H ILE 26 21.098 9.125 -2.257 213 HA ILE 26 HA ILE 26 23.922 8.799 -2.919 214 HB ILE 26 HB ILE 26 21.639 9.623 -4.715 215 HG12 ILE 26 HG12 ILE 26 21.218 7.390 -3.924 216 HG13 ILE 26 HG13 ILE 26 21.828 7.273 -5.571 217 HG21 ILE 26 HG21 ILE 26 24.486 9.560 -5.072 218 HG22 ILE 26 HG22 ILE 26 23.709 8.418 -6.168 219 HG23 ILE 26 HG23 ILE 26 23.232 10.116 -6.180 220 HD11 ILE 26 HD11 ILE 26 24.040 6.705 -4.701 221 HD12 ILE 26 HD12 ILE 26 23.410 6.801 -3.056 222 HD13 ILE 26 HD13 ILE 26 22.805 5.567 -4.162 223 H GLN 27 H GLN 27 21.595 11.271 -2.234 224 HA GLN 27 HA GLN 27 22.741 13.482 -3.469 225 HB2 GLN 27 HB2 GLN 27 20.552 13.563 -2.395 226 HB3 GLN 27 HB3 GLN 27 21.296 13.335 -0.818 227 HG2 GLN 27 HG2 GLN 27 20.647 15.668 -1.266 228 HG3 GLN 27 HG3 GLN 27 22.370 15.473 -0.948 229 HE21 GLN 27 HE21 GLN 27 19.956 16.251 -3.305 230 HE22 GLN 27 HE22 GLN 27 21.033 16.847 -4.517 231 H GLY 28 H GLY 28 23.792 11.673 -0.713 232 HA2 GLY 28 HA2 GLY 28 26.111 13.466 -0.485 233 HA3 GLY 28 HA3 GLY 28 25.214 13.043 0.967 234 H GLY 29 H GLY 29 25.660 10.757 -1.631 235 HA2 GLY 29 HA2 GLY 29 27.424 9.204 0.156 236 HA3 GLY 29 HA3 GLY 29 26.310 8.497 -1.005 237 HA PRO 30 HA PRO 30 30.551 8.532 -2.883 238 HB2 PRO 30 HB2 PRO 30 30.439 5.966 -3.762 239 HB3 PRO 30 HB3 PRO 30 30.983 6.402 -2.138 240 HG2 PRO 30 HG2 PRO 30 28.307 5.404 -3.036 241 HG3 PRO 30 HG3 PRO 30 29.252 4.942 -1.608 242 HD2 PRO 30 HD2 PRO 30 27.175 6.676 -1.483 243 HD3 PRO 30 HD3 PRO 30 28.586 6.797 -0.413 244 H ARG 31 H ARG 31 27.334 7.938 -3.925 245 HA ARG 31 HA ARG 31 26.272 8.205 -5.918 246 HB2 ARG 31 HB2 ARG 31 28.549 9.977 -6.015 247 HB3 ARG 31 HB3 ARG 31 28.185 9.358 -7.620 248 HG2 ARG 31 HG2 ARG 31 25.760 10.036 -7.102 249 HG3 ARG 31 HG3 ARG 31 26.467 10.999 -5.804 250 HD2 ARG 31 HD2 ARG 31 27.469 11.191 -8.625 251 HD3 ARG 31 HD3 ARG 31 26.076 12.124 -8.081 252 HE ARG 31 HE ARG 31 28.226 12.489 -6.295 253 HH11 ARG 31 HH11 ARG 31 27.194 13.338 -9.509 254 HH12 ARG 31 HH12 ARG 31 28.090 14.820 -9.546 255 HH21 ARG 31 HH21 ARG 31 29.411 14.437 -6.331 256 HH22 ARG 31 HH22 ARG 31 29.352 15.444 -7.738 Start of MODEL 12 1 H1 SER 1 H SER 1 -10.614 -5.668 -20.422 2 HA SER 1 HA SER 1 -9.587 -5.368 -18.095 3 HB2 SER 1 HB2 SER 1 -7.259 -6.905 -19.034 4 HB3 SER 1 HB3 SER 1 -7.994 -6.834 -17.432 5 HG SER 1 HG SER 1 -8.653 -8.769 -17.957 6 H TRP 2 H TRP 2 -8.167 -5.801 -21.309 7 HA TRP 2 HA TRP 2 -6.952 -4.413 -22.639 8 HB2 TRP 2 HB2 TRP 2 -8.882 -2.847 -21.811 9 HB3 TRP 2 HB3 TRP 2 -7.604 -2.080 -20.873 10 HD1 TRP 2 HD1 TRP 2 -7.200 -3.389 -24.482 11 HE1 TRP 2 HE1 TRP 2 -6.581 -1.398 -25.992 12 HE3 TRP 2 HE3 TRP 2 -7.640 0.389 -21.066 13 HZ2 TRP 2 HZ2 TRP 2 -6.314 1.403 -25.765 14 HZ3 TRP 2 HZ3 TRP 2 -7.185 2.695 -21.793 15 HH2 TRP 2 HH2 TRP 2 -6.535 3.190 -24.094 16 H LEU 3 H LEU 3 -5.020 -2.974 -22.675 17 HA LEU 3 HA LEU 3 -2.841 -2.660 -22.091 18 HB2 LEU 3 HB2 LEU 3 -3.912 -2.307 -19.302 19 HB3 LEU 3 HB3 LEU 3 -2.446 -1.611 -19.989 20 HG LEU 3 HG LEU 3 -4.830 -0.807 -21.443 21 HD11 LEU 3 HD11 LEU 3 -4.694 0.418 -18.742 22 HD12 LEU 3 HD12 LEU 3 -5.512 -1.134 -18.912 23 HD13 LEU 3 HD13 LEU 3 -6.059 0.257 -19.848 24 HD21 LEU 3 HD21 LEU 3 -3.716 1.169 -21.599 25 HD22 LEU 3 HD22 LEU 3 -2.349 0.119 -21.221 26 HD23 LEU 3 HD23 LEU 3 -3.101 1.082 -19.948 27 H SER 4 H SER 4 -1.301 -3.224 -19.934 28 HA SER 4 HA SER 4 -1.526 -6.154 -19.726 29 HB2 SER 4 HB2 SER 4 0.936 -4.392 -19.687 30 HB3 SER 4 HB3 SER 4 0.949 -6.134 -19.409 31 HG SER 4 HG SER 4 1.221 -5.046 -21.685 32 H LYS 5 H LYS 5 0.393 -3.772 -17.924 33 HA LYS 5 HA LYS 5 -1.067 -4.428 -15.479 34 HB2 LYS 5 HB2 LYS 5 1.079 -4.770 -14.256 35 HB3 LYS 5 HB3 LYS 5 0.734 -6.023 -15.440 36 HG2 LYS 5 HG2 LYS 5 2.963 -5.624 -15.813 37 HG3 LYS 5 HG3 LYS 5 2.210 -4.570 -17.012 38 HD2 LYS 5 HD2 LYS 5 2.609 -2.643 -15.728 39 HD3 LYS 5 HD3 LYS 5 2.941 -3.582 -14.270 40 HE2 LYS 5 HE2 LYS 5 4.656 -3.751 -16.735 41 HE3 LYS 5 HE3 LYS 5 4.943 -2.567 -15.461 42 HZ1 LYS 5 HZ1 LYS 5 5.298 -5.471 -15.414 43 HZ2 LYS 5 HZ2 LYS 5 4.839 -4.709 -13.975 44 HZ3 LYS 5 HZ3 LYS 5 6.270 -4.254 -14.753 45 H THR 6 H THR 6 0.291 -3.114 -13.612 46 HA THR 6 HA THR 6 1.041 -0.478 -14.589 47 HB THR 6 HB THR 6 -0.802 -0.099 -12.406 48 HG1 THR 6 HG1 THR 6 -2.509 -1.156 -13.083 49 HG21 THR 6 HG21 THR 6 0.071 1.543 -14.147 50 HG22 THR 6 HG22 THR 6 -1.651 1.625 -13.778 51 HG23 THR 6 HG23 THR 6 -1.102 0.830 -15.253 52 H ALA 7 H ALA 7 0.215 -2.289 -11.629 53 HA ALA 7 HA ALA 7 2.690 -1.238 -10.419 54 HB1 ALA 7 HB1 ALA 7 1.639 -1.157 -8.290 55 HB2 ALA 7 HB2 ALA 7 0.558 -0.354 -9.429 56 HB3 ALA 7 HB3 ALA 7 0.210 -1.998 -8.892 57 H LYS 8 H LYS 8 2.061 -3.758 -11.954 58 HA LYS 8 HA LYS 8 1.943 -5.998 -10.327 59 HB2 LYS 8 HB2 LYS 8 1.841 -5.955 -12.837 60 HB3 LYS 8 HB3 LYS 8 3.589 -5.763 -12.849 61 HG2 LYS 8 HG2 LYS 8 3.554 -8.000 -13.045 62 HG3 LYS 8 HG3 LYS 8 3.379 -7.940 -11.290 63 HD2 LYS 8 HD2 LYS 8 1.077 -8.343 -11.391 64 HD3 LYS 8 HD3 LYS 8 0.983 -7.903 -13.097 65 HE2 LYS 8 HE2 LYS 8 2.782 -10.143 -12.531 66 HE3 LYS 8 HE3 LYS 8 1.096 -10.455 -12.125 67 HZ1 LYS 8 HZ1 LYS 8 1.188 -9.198 -14.625 68 HZ2 LYS 8 HZ2 LYS 8 0.675 -10.768 -14.260 69 HZ3 LYS 8 HZ3 LYS 8 2.296 -10.476 -14.649 70 H LYS 9 H LYS 9 4.542 -3.776 -10.831 71 HA LYS 9 HA LYS 9 6.026 -4.667 -8.640 72 HB2 LYS 9 HB2 LYS 9 8.033 -5.559 -9.895 73 HB3 LYS 9 HB3 LYS 9 6.634 -6.624 -9.841 74 HG2 LYS 9 HG2 LYS 9 6.459 -4.971 -12.161 75 HG3 LYS 9 HG3 LYS 9 8.053 -5.727 -12.098 76 HD2 LYS 9 HD2 LYS 9 6.474 -7.823 -11.433 77 HD3 LYS 9 HD3 LYS 9 5.395 -6.930 -12.507 78 HE2 LYS 9 HE2 LYS 9 6.952 -7.032 -14.295 79 HE3 LYS 9 HE3 LYS 9 8.234 -7.612 -13.234 80 HZ1 LYS 9 HZ1 LYS 9 5.882 -9.281 -13.276 81 HZ2 LYS 9 HZ2 LYS 9 7.514 -9.709 -13.389 82 HZ3 LYS 9 HZ3 LYS 9 6.681 -9.185 -14.764 83 H LEU 10 H LEU 10 5.159 -2.216 -9.649 84 HA LEU 10 HA LEU 10 7.665 -0.779 -9.690 85 HB2 LEU 10 HB2 LEU 10 6.941 0.572 -11.692 86 HB3 LEU 10 HB3 LEU 10 7.505 -1.065 -12.016 87 HG LEU 10 HG LEU 10 4.582 -0.685 -11.704 88 HD11 LEU 10 HD11 LEU 10 6.215 0.560 -13.858 89 HD12 LEU 10 HD12 LEU 10 4.736 1.132 -13.086 90 HD13 LEU 10 HD13 LEU 10 4.663 -0.167 -14.276 91 HD21 LEU 10 HD21 LEU 10 6.152 -2.206 -13.771 92 HD22 LEU 10 HD22 LEU 10 4.471 -2.436 -13.290 93 HD23 LEU 10 HD23 LEU 10 5.773 -2.863 -12.178 94 H GLU 11 H GLU 11 5.246 -1.081 -8.004 95 HA GLU 11 HA GLU 11 4.990 1.557 -7.125 96 HB2 GLU 11 HB2 GLU 11 3.535 1.262 -9.410 97 HB3 GLU 11 HB3 GLU 11 2.332 0.866 -8.192 98 HG2 GLU 11 HG2 GLU 11 3.522 3.135 -7.188 99 HG3 GLU 11 HG3 GLU 11 3.470 3.432 -8.924 100 H ASN 12 H ASN 12 2.540 1.623 -5.945 101 HA ASN 12 HA ASN 12 1.296 0.812 -4.218 102 HB2 ASN 12 HB2 ASN 12 1.846 -1.505 -5.841 103 HB3 ASN 12 HB3 ASN 12 1.841 -1.953 -4.138 104 HD21 ASN 12 HD21 ASN 12 -0.042 -2.613 -6.269 105 HD22 ASN 12 HD22 ASN 12 -1.586 -2.058 -5.727 106 H SER 13 H SER 13 3.884 -1.616 -4.146 107 HA SER 13 HA SER 13 4.712 -0.524 -1.536 108 HB2 SER 13 HB2 SER 13 3.655 -3.001 -1.955 109 HB3 SER 13 HB3 SER 13 5.379 -3.341 -2.107 110 HG SER 13 HG SER 13 4.342 -1.846 0.054 111 H ALA 14 H ALA 14 5.666 -1.407 -4.702 112 HA ALA 14 HA ALA 14 8.464 -1.727 -4.164 113 HB1 ALA 14 HB1 ALA 14 6.722 -2.048 -6.403 114 HB2 ALA 14 HB2 ALA 14 8.093 -1.042 -6.873 115 HB3 ALA 14 HB3 ALA 14 8.368 -2.641 -6.182 116 H LYS 15 H LYS 15 6.498 0.920 -4.067 117 HA LYS 15 HA LYS 15 8.378 2.809 -5.227 118 HB2 LYS 15 HB2 LYS 15 6.209 3.501 -5.661 119 HB3 LYS 15 HB3 LYS 15 5.618 2.984 -4.088 120 HG2 LYS 15 HG2 LYS 15 7.598 5.178 -4.109 121 HG3 LYS 15 HG3 LYS 15 5.988 5.542 -4.735 122 HD2 LYS 15 HD2 LYS 15 5.153 5.636 -2.675 123 HD3 LYS 15 HD3 LYS 15 5.782 4.030 -2.301 124 HE2 LYS 15 HE2 LYS 15 7.160 5.026 -0.863 125 HE3 LYS 15 HE3 LYS 15 8.021 5.663 -2.263 126 HZ1 LYS 15 HZ1 LYS 15 7.153 7.710 -1.981 127 HZ2 LYS 15 HZ2 LYS 15 7.006 7.206 -0.373 128 HZ3 LYS 15 HZ3 LYS 15 5.667 7.143 -1.405 129 H LYS 16 H LYS 16 7.345 1.666 -2.088 130 HA LYS 16 HA LYS 16 8.640 3.732 -0.591 131 HB2 LYS 16 HB2 LYS 16 6.912 1.538 -0.046 132 HB3 LYS 16 HB3 LYS 16 8.338 1.358 0.967 133 HG2 LYS 16 HG2 LYS 16 7.675 2.981 2.324 134 HG3 LYS 16 HG3 LYS 16 7.393 4.084 0.975 135 HD2 LYS 16 HD2 LYS 16 5.404 1.938 1.272 136 HD3 LYS 16 HD3 LYS 16 5.446 3.108 2.593 137 HE2 LYS 16 HE2 LYS 16 5.241 4.930 0.941 138 HE3 LYS 16 HE3 LYS 16 5.123 3.727 -0.343 139 HZ1 LYS 16 HZ1 LYS 16 2.983 4.724 0.663 140 HZ2 LYS 16 HZ2 LYS 16 3.254 3.637 1.929 141 HZ3 LYS 16 HZ3 LYS 16 3.046 3.062 0.352 142 H ARG 17 H ARG 17 9.533 0.546 -1.758 143 HA ARG 17 HA ARG 17 11.917 0.305 -0.225 144 HB2 ARG 17 HB2 ARG 17 12.378 -1.621 -1.507 145 HB3 ARG 17 HB3 ARG 17 10.625 -1.565 -1.376 146 HG2 ARG 17 HG2 ARG 17 10.669 -0.392 -3.644 147 HG3 ARG 17 HG3 ARG 17 12.345 -0.937 -3.748 148 HD2 ARG 17 HD2 ARG 17 10.098 -2.833 -3.140 149 HD3 ARG 17 HD3 ARG 17 10.536 -2.417 -4.796 150 HE ARG 17 HE ARG 17 12.852 -3.207 -3.440 151 HH11 ARG 17 HH11 ARG 17 9.853 -4.559 -4.580 152 HH12 ARG 17 HH12 ARG 17 10.505 -6.148 -4.806 153 HH21 ARG 17 HH21 ARG 17 13.722 -5.295 -3.734 154 HH22 ARG 17 HH22 ARG 17 12.706 -6.566 -4.324 155 H ILE 18 H ILE 18 11.131 1.722 -3.328 156 HA ILE 18 HA ILE 18 13.902 2.131 -4.048 157 HB ILE 18 HB ILE 18 13.067 3.243 -6.025 158 HG12 ILE 18 HG12 ILE 18 10.306 2.934 -4.828 159 HG13 ILE 18 HG13 ILE 18 11.199 4.449 -4.911 160 HG21 ILE 18 HG21 ILE 18 13.109 0.897 -6.246 161 HG22 ILE 18 HG22 ILE 18 11.646 0.702 -5.283 162 HG23 ILE 18 HG23 ILE 18 11.551 1.406 -6.897 163 HD11 ILE 18 HD11 ILE 18 11.276 3.898 -7.469 164 HD12 ILE 18 HD12 ILE 18 9.870 2.908 -7.074 165 HD13 ILE 18 HD13 ILE 18 9.852 4.639 -6.740 166 H SER 19 H SER 19 11.403 3.851 -2.398 167 HA SER 19 HA SER 19 12.347 6.487 -2.775 168 HB2 SER 19 HB2 SER 19 10.558 7.046 -1.525 169 HB3 SER 19 HB3 SER 19 10.163 5.328 -1.533 170 HG SER 19 HG SER 19 10.400 5.468 0.545 171 H GLU 20 H GLU 20 13.632 3.884 -1.051 172 HA GLU 20 HA GLU 20 14.985 5.497 0.946 173 HB2 GLU 20 HB2 GLU 20 14.165 2.882 0.898 174 HB3 GLU 20 HB3 GLU 20 15.887 2.727 0.578 175 HG2 GLU 20 HG2 GLU 20 16.185 4.268 2.615 176 HG3 GLU 20 HG3 GLU 20 14.514 3.848 2.987 177 H GLY 21 H GLY 21 15.832 3.590 -1.925 178 HA2 GLY 21 HA2 GLY 21 18.619 4.333 -1.758 179 HA3 GLY 21 HA3 GLY 21 17.860 3.401 -3.041 180 H ILE 22 H ILE 22 15.799 5.366 -3.584 181 HA ILE 22 HA ILE 22 17.293 7.019 -5.390 182 HB ILE 22 HB ILE 22 14.336 7.016 -4.772 183 HG12 ILE 22 HG12 ILE 22 15.832 5.775 -7.089 184 HG13 ILE 22 HG13 ILE 22 15.244 4.881 -5.691 185 HG21 ILE 22 HG21 ILE 22 16.002 8.707 -6.465 186 HG22 ILE 22 HG22 ILE 22 14.655 7.963 -7.325 187 HG23 ILE 22 HG23 ILE 22 14.351 8.949 -5.895 188 HD11 ILE 22 HD11 ILE 22 13.621 6.294 -7.785 189 HD12 ILE 22 HD12 ILE 22 13.686 4.565 -7.441 190 HD13 ILE 22 HD13 ILE 22 12.942 5.667 -6.283 191 H ALA 23 H ALA 23 16.057 7.370 -2.209 192 HA ALA 23 HA ALA 23 15.779 10.211 -2.202 193 HB1 ALA 23 HB1 ALA 23 15.895 9.852 0.335 194 HB2 ALA 23 HB2 ALA 23 14.552 9.119 -0.544 195 HB3 ALA 23 HB3 ALA 23 15.926 8.130 -0.048 196 H ILE 24 H ILE 24 18.357 7.965 -1.306 197 HA ILE 24 HA ILE 24 20.102 10.124 -0.468 198 HB ILE 24 HB ILE 24 21.720 8.426 0.065 199 HG12 ILE 24 HG12 ILE 24 20.600 5.963 -0.386 200 HG13 ILE 24 HG13 ILE 24 20.124 6.846 -1.833 201 HG21 ILE 24 HG21 ILE 24 19.044 7.309 0.862 202 HG22 ILE 24 HG22 ILE 24 20.557 7.264 1.765 203 HG23 ILE 24 HG23 ILE 24 19.707 8.793 1.546 204 HD11 ILE 24 HD11 ILE 24 22.822 7.447 -1.441 205 HD12 ILE 24 HD12 ILE 24 22.662 5.717 -1.139 206 HD13 ILE 24 HD13 ILE 24 22.117 6.399 -2.671 207 H ALA 25 H ALA 25 19.534 8.172 -3.283 208 HA ALA 25 HA ALA 25 22.016 8.570 -4.579 209 HB1 ALA 25 HB1 ALA 25 20.336 8.213 -6.651 210 HB2 ALA 25 HB2 ALA 25 20.946 6.896 -5.647 211 HB3 ALA 25 HB3 ALA 25 19.348 7.574 -5.337 212 H ILE 26 H ILE 26 19.078 10.468 -4.385 213 HA ILE 26 HA ILE 26 20.122 12.395 -6.325 214 HB ILE 26 HB ILE 26 17.446 12.384 -4.924 215 HG12 ILE 26 HG12 ILE 26 17.592 10.436 -6.338 216 HG13 ILE 26 HG13 ILE 26 16.584 11.629 -7.149 217 HG21 ILE 26 HG21 ILE 26 18.755 14.187 -6.871 218 HG22 ILE 26 HG22 ILE 26 17.046 13.837 -7.126 219 HG23 ILE 26 HG23 ILE 26 17.583 14.543 -5.602 220 HD11 ILE 26 HD11 ILE 26 18.469 12.258 -8.563 221 HD12 ILE 26 HD12 ILE 26 19.476 11.060 -7.750 222 HD13 ILE 26 HD13 ILE 26 18.089 10.542 -8.707 223 H GLN 27 H GLN 27 19.671 11.942 -2.932 224 HA GLN 27 HA GLN 27 19.728 14.674 -2.153 225 HB2 GLN 27 HB2 GLN 27 18.850 13.039 -0.625 226 HB3 GLN 27 HB3 GLN 27 20.359 12.136 -0.645 227 HG2 GLN 27 HG2 GLN 27 21.458 13.687 0.673 228 HG3 GLN 27 HG3 GLN 27 20.310 14.970 0.294 229 HE21 GLN 27 HE21 GLN 27 20.944 14.642 2.858 230 HE22 GLN 27 HE22 GLN 27 19.649 13.912 3.736 231 H GLY 28 H GLY 28 22.209 12.200 -2.592 232 HA2 GLY 28 HA2 GLY 28 24.323 13.931 -1.650 233 HA3 GLY 28 HA3 GLY 28 24.515 12.327 -2.343 234 H GLY 29 H GLY 29 22.950 13.021 -4.741 235 HA2 GLY 29 HA2 GLY 29 23.232 14.725 -6.509 236 HA3 GLY 29 HA3 GLY 29 24.924 14.796 -6.041 237 HA PRO 30 HA PRO 30 25.937 11.774 -9.045 238 HB2 PRO 30 HB2 PRO 30 27.929 10.398 -7.818 239 HB3 PRO 30 HB3 PRO 30 28.133 12.044 -8.428 240 HG2 PRO 30 HG2 PRO 30 27.600 11.113 -5.634 241 HG3 PRO 30 HG3 PRO 30 28.724 12.362 -6.202 242 HD2 PRO 30 HD2 PRO 30 26.306 12.954 -5.137 243 HD3 PRO 30 HD3 PRO 30 27.062 13.946 -6.401 244 H ARG 31 H ARG 31 25.691 10.403 -5.765 245 HA ARG 31 HA ARG 31 25.353 7.741 -6.403 246 HB2 ARG 31 HB2 ARG 31 24.138 9.369 -4.170 247 HB3 ARG 31 HB3 ARG 31 23.996 7.619 -4.270 248 HG2 ARG 31 HG2 ARG 31 25.903 7.479 -3.155 249 HG3 ARG 31 HG3 ARG 31 26.716 8.144 -4.572 250 HD2 ARG 31 HD2 ARG 31 26.802 10.266 -3.695 251 HD3 ARG 31 HD3 ARG 31 25.395 10.011 -2.664 252 HE ARG 31 HE ARG 31 27.352 8.326 -1.703 253 HH11 ARG 31 HH11 ARG 31 26.966 11.753 -2.182 254 HH12 ARG 31 HH12 ARG 31 27.998 12.186 -0.860 255 HH21 ARG 31 HH21 ARG 31 28.713 8.884 0.041 256 HH22 ARG 31 HH22 ARG 31 28.992 10.554 0.403 Start of MODEL 13 1 H1 SER 1 H SER 1 -9.108 -1.081 -10.376 2 HA SER 1 HA SER 1 -7.077 -2.261 -11.462 3 HB2 SER 1 HB2 SER 1 -5.604 -1.615 -9.417 4 HB3 SER 1 HB3 SER 1 -6.491 -0.344 -10.257 5 HG SER 1 HG SER 1 -7.562 -1.690 -8.014 6 H TRP 2 H TRP 2 -5.767 -4.017 -11.350 7 HA TRP 2 HA TRP 2 -5.558 -5.695 -9.063 8 HB2 TRP 2 HB2 TRP 2 -7.864 -6.262 -9.973 9 HB3 TRP 2 HB3 TRP 2 -7.045 -6.924 -11.385 10 HD1 TRP 2 HD1 TRP 2 -6.100 -7.386 -7.651 11 HE1 TRP 2 HE1 TRP 2 -6.040 -9.912 -7.158 12 HE3 TRP 2 HE3 TRP 2 -7.659 -9.137 -12.194 13 HZ2 TRP 2 HZ2 TRP 2 -6.582 -12.327 -8.516 14 HZ3 TRP 2 HZ3 TRP 2 -7.862 -11.568 -12.515 15 HH2 TRP 2 HH2 TRP 2 -7.334 -13.128 -10.713 16 H LEU 3 H LEU 3 -3.593 -6.552 -9.157 17 HA LEU 3 HA LEU 3 -2.547 -7.667 -11.603 18 HB2 LEU 3 HB2 LEU 3 -0.493 -6.294 -11.565 19 HB3 LEU 3 HB3 LEU 3 -1.945 -5.380 -11.969 20 HG LEU 3 HG LEU 3 -1.147 -5.348 -9.126 21 HD11 LEU 3 HD11 LEU 3 1.030 -5.045 -9.764 22 HD12 LEU 3 HD12 LEU 3 0.439 -3.386 -9.843 23 HD13 LEU 3 HD13 LEU 3 0.595 -4.338 -11.320 24 HD21 LEU 3 HD21 LEU 3 -3.022 -4.048 -9.777 25 HD22 LEU 3 HD22 LEU 3 -2.150 -3.348 -11.141 26 HD23 LEU 3 HD23 LEU 3 -1.697 -2.919 -9.490 27 H SER 4 H SER 4 -0.250 -8.506 -11.212 28 HA SER 4 HA SER 4 0.048 -9.356 -8.407 29 HB2 SER 4 HB2 SER 4 0.484 -11.088 -10.853 30 HB3 SER 4 HB3 SER 4 0.722 -11.582 -9.177 31 HG SER 4 HG SER 4 -1.375 -12.090 -10.288 32 H LYS 5 H LYS 5 1.886 -9.835 -11.420 33 HA LYS 5 HA LYS 5 4.142 -8.394 -10.215 34 HB2 LYS 5 HB2 LYS 5 5.689 -10.137 -11.080 35 HB3 LYS 5 HB3 LYS 5 4.618 -10.725 -9.814 36 HG2 LYS 5 HG2 LYS 5 3.451 -11.125 -12.419 37 HG3 LYS 5 HG3 LYS 5 5.053 -11.859 -12.314 38 HD2 LYS 5 HD2 LYS 5 2.829 -12.286 -10.320 39 HD3 LYS 5 HD3 LYS 5 3.224 -13.391 -11.638 40 HE2 LYS 5 HE2 LYS 5 5.583 -12.739 -10.124 41 HE3 LYS 5 HE3 LYS 5 4.315 -13.343 -9.057 42 HZ1 LYS 5 HZ1 LYS 5 4.078 -15.228 -10.684 43 HZ2 LYS 5 HZ2 LYS 5 5.511 -15.213 -9.785 44 HZ3 LYS 5 HZ3 LYS 5 5.519 -14.701 -11.398 45 H THR 6 H THR 6 2.246 -7.558 -12.203 46 HA THR 6 HA THR 6 3.849 -7.548 -14.663 47 HB THR 6 HB THR 6 1.150 -6.302 -14.614 48 HG1 THR 6 HG1 THR 6 0.116 -8.267 -14.626 49 HG21 THR 6 HG21 THR 6 1.021 -7.237 -16.840 50 HG22 THR 6 HG22 THR 6 2.493 -8.170 -16.570 51 HG23 THR 6 HG23 THR 6 2.566 -6.410 -16.649 52 H ALA 7 H ALA 7 4.902 -6.022 -12.645 53 HA ALA 7 HA ALA 7 4.233 -3.267 -13.454 54 HB1 ALA 7 HB1 ALA 7 4.140 -2.706 -11.311 55 HB2 ALA 7 HB2 ALA 7 4.388 -4.398 -10.878 56 HB3 ALA 7 HB3 ALA 7 5.773 -3.319 -11.048 57 H LYS 8 H LYS 8 6.260 -5.471 -14.366 58 HA LYS 8 HA LYS 8 8.859 -4.624 -13.874 59 HB2 LYS 8 HB2 LYS 8 7.674 -5.905 -16.340 60 HB3 LYS 8 HB3 LYS 8 9.401 -5.696 -16.081 61 HG2 LYS 8 HG2 LYS 8 8.092 -6.991 -13.836 62 HG3 LYS 8 HG3 LYS 8 7.891 -7.878 -15.349 63 HD2 LYS 8 HD2 LYS 8 10.204 -8.121 -15.645 64 HD3 LYS 8 HD3 LYS 8 10.574 -6.851 -14.476 65 HE2 LYS 8 HE2 LYS 8 9.459 -8.391 -12.753 66 HE3 LYS 8 HE3 LYS 8 9.618 -9.653 -13.974 67 HZ1 LYS 8 HZ1 LYS 8 12.075 -8.347 -13.767 68 HZ2 LYS 8 HZ2 LYS 8 11.702 -9.939 -13.337 69 HZ3 LYS 8 HZ3 LYS 8 11.563 -8.700 -12.193 70 H LYS 9 H LYS 9 6.403 -3.205 -15.841 71 HA LYS 9 HA LYS 9 8.005 -0.872 -16.290 72 HB2 LYS 9 HB2 LYS 9 7.803 -0.928 -18.774 73 HB3 LYS 9 HB3 LYS 9 8.874 -2.163 -18.125 74 HG2 LYS 9 HG2 LYS 9 7.746 -3.595 -19.396 75 HG3 LYS 9 HG3 LYS 9 6.444 -3.443 -18.213 76 HD2 LYS 9 HD2 LYS 9 5.235 -1.984 -19.536 77 HD3 LYS 9 HD3 LYS 9 6.659 -1.458 -20.437 78 HE2 LYS 9 HE2 LYS 9 5.546 -2.782 -21.977 79 HE3 LYS 9 HE3 LYS 9 6.723 -3.899 -21.290 80 HZ1 LYS 9 HZ1 LYS 9 4.093 -3.753 -20.024 81 HZ2 LYS 9 HZ2 LYS 9 5.123 -5.079 -20.225 82 HZ3 LYS 9 HZ3 LYS 9 4.193 -4.527 -21.525 83 H LEU 10 H LEU 10 5.574 -1.379 -14.961 84 HA LEU 10 HA LEU 10 3.748 0.254 -16.589 85 HB2 LEU 10 HB2 LEU 10 2.639 -1.755 -16.701 86 HB3 LEU 10 HB3 LEU 10 3.211 -2.279 -15.119 87 HG LEU 10 HG LEU 10 1.403 0.015 -15.005 88 HD11 LEU 10 HD11 LEU 10 0.699 -2.270 -16.657 89 HD12 LEU 10 HD12 LEU 10 -0.107 -0.713 -16.472 90 HD13 LEU 10 HD13 LEU 10 -0.430 -2.014 -15.327 91 HD21 LEU 10 HD21 LEU 10 0.731 -0.968 -13.063 92 HD22 LEU 10 HD22 LEU 10 2.324 -1.709 -13.218 93 HD23 LEU 10 HD23 LEU 10 0.884 -2.603 -13.705 94 H GLU 11 H GLU 11 4.383 -0.928 -13.288 95 HA GLU 11 HA GLU 11 4.274 0.093 -11.258 96 HB2 GLU 11 HB2 GLU 11 4.984 2.308 -13.113 97 HB3 GLU 11 HB3 GLU 11 4.475 2.744 -11.488 98 HG2 GLU 11 HG2 GLU 11 6.437 2.174 -10.634 99 HG3 GLU 11 HG3 GLU 11 6.399 0.600 -11.426 100 H ASN 12 H ASN 12 3.017 1.792 -9.960 101 HA ASN 12 HA ASN 12 0.333 2.143 -11.121 102 HB2 ASN 12 HB2 ASN 12 0.248 0.302 -9.538 103 HB3 ASN 12 HB3 ASN 12 1.030 1.286 -8.304 104 HD21 ASN 12 HD21 ASN 12 -0.748 0.879 -6.935 105 HD22 ASN 12 HD22 ASN 12 -2.236 1.734 -7.132 106 H SER 13 H SER 13 2.128 3.111 -8.191 107 HA SER 13 HA SER 13 2.327 5.824 -8.800 108 HB2 SER 13 HB2 SER 13 0.524 6.587 -7.075 109 HB3 SER 13 HB3 SER 13 0.022 6.183 -8.717 110 HG SER 13 HG SER 13 -0.961 5.177 -6.569 111 H ALA 14 H ALA 14 1.951 3.347 -6.360 112 HA ALA 14 HA ALA 14 3.014 4.748 -4.163 113 HB1 ALA 14 HB1 ALA 14 3.696 1.966 -4.039 114 HB2 ALA 14 HB2 ALA 14 2.497 2.865 -3.108 115 HB3 ALA 14 HB3 ALA 14 2.057 2.159 -4.663 116 H LYS 15 H LYS 15 4.490 3.639 -7.005 117 HA LYS 15 HA LYS 15 7.132 3.336 -5.838 118 HB2 LYS 15 HB2 LYS 15 6.721 1.817 -7.594 119 HB3 LYS 15 HB3 LYS 15 6.029 3.063 -8.624 120 HG2 LYS 15 HG2 LYS 15 8.838 3.466 -7.836 121 HG3 LYS 15 HG3 LYS 15 8.519 2.098 -8.904 122 HD2 LYS 15 HD2 LYS 15 8.316 3.468 -10.643 123 HD3 LYS 15 HD3 LYS 15 7.039 4.366 -9.820 124 HE2 LYS 15 HE2 LYS 15 8.472 5.976 -9.063 125 HE3 LYS 15 HE3 LYS 15 9.849 4.878 -9.002 126 HZ1 LYS 15 HZ1 LYS 15 8.681 5.694 -11.586 127 HZ2 LYS 15 HZ2 LYS 15 10.235 5.109 -11.262 128 HZ3 LYS 15 HZ3 LYS 15 9.809 6.679 -10.798 129 H LYS 16 H LYS 16 5.226 5.753 -7.404 130 HA LYS 16 HA LYS 16 7.405 7.415 -8.232 131 HB2 LYS 16 HB2 LYS 16 4.437 7.700 -8.078 132 HB3 LYS 16 HB3 LYS 16 5.412 9.156 -8.231 133 HG2 LYS 16 HG2 LYS 16 5.567 6.813 -10.114 134 HG3 LYS 16 HG3 LYS 16 4.579 8.250 -10.387 135 HD2 LYS 16 HD2 LYS 16 6.384 9.575 -10.825 136 HD3 LYS 16 HD3 LYS 16 7.453 8.657 -9.762 137 HE2 LYS 16 HE2 LYS 16 8.302 7.972 -11.751 138 HE3 LYS 16 HE3 LYS 16 7.005 6.786 -11.608 139 HZ1 LYS 16 HZ1 LYS 16 7.377 8.779 -13.577 140 HZ2 LYS 16 HZ2 LYS 16 5.896 9.026 -12.798 141 HZ3 LYS 16 HZ3 LYS 16 6.230 7.536 -13.527 142 H ARG 17 H ARG 17 5.382 7.161 -5.376 143 HA ARG 17 HA ARG 17 6.221 9.610 -4.190 144 HB2 ARG 17 HB2 ARG 17 5.027 8.924 -2.271 145 HB3 ARG 17 HB3 ARG 17 4.127 8.276 -3.636 146 HG2 ARG 17 HG2 ARG 17 5.637 6.160 -3.173 147 HG3 ARG 17 HG3 ARG 17 5.701 6.865 -1.556 148 HD2 ARG 17 HD2 ARG 17 3.063 6.615 -2.919 149 HD3 ARG 17 HD3 ARG 17 3.804 5.171 -2.229 150 HE ARG 17 HE ARG 17 3.867 7.200 -0.305 151 HH11 ARG 17 HH11 ARG 17 1.556 5.214 -1.989 152 HH12 ARG 17 HH12 ARG 17 0.399 5.240 -0.700 153 HH21 ARG 17 HH21 ARG 17 2.352 7.241 1.400 154 HH22 ARG 17 HH22 ARG 17 0.852 6.393 1.227 155 H ILE 18 H ILE 18 7.422 6.324 -4.159 156 HA ILE 18 HA ILE 18 9.326 6.854 -2.043 157 HB ILE 18 HB ILE 18 10.032 4.585 -2.277 158 HG12 ILE 18 HG12 ILE 18 8.381 4.484 -4.812 159 HG13 ILE 18 HG13 ILE 18 10.140 4.530 -4.742 160 HG21 ILE 18 HG21 ILE 18 7.052 4.880 -2.593 161 HG22 ILE 18 HG22 ILE 18 7.844 3.373 -2.133 162 HG23 ILE 18 HG23 ILE 18 7.975 4.791 -1.093 163 HD11 ILE 18 HD11 ILE 18 9.934 2.385 -3.352 164 HD12 ILE 18 HD12 ILE 18 8.285 2.316 -3.975 165 HD13 ILE 18 HD13 ILE 18 9.650 2.293 -5.090 166 H SER 19 H SER 19 9.214 6.975 -5.490 167 HA SER 19 HA SER 19 11.967 6.679 -6.047 168 HB2 SER 19 HB2 SER 19 9.607 7.160 -7.526 169 HB3 SER 19 HB3 SER 19 10.716 8.475 -7.914 170 HG SER 19 HG SER 19 11.683 7.090 -9.147 171 H GLU 20 H GLU 20 10.248 9.152 -4.506 172 HA GLU 20 HA GLU 20 11.993 11.316 -5.281 173 HB2 GLU 20 HB2 GLU 20 9.445 11.168 -4.219 174 HB3 GLU 20 HB3 GLU 20 10.410 11.726 -2.859 175 HG2 GLU 20 HG2 GLU 20 11.281 13.264 -4.994 176 HG3 GLU 20 HG3 GLU 20 9.536 13.149 -5.214 177 H GLY 21 H GLY 21 11.418 9.431 -2.314 178 HA2 GLY 21 HA2 GLY 21 13.638 10.660 -0.948 179 HA3 GLY 21 HA3 GLY 21 12.656 9.327 -0.359 180 H ILE 22 H ILE 22 13.087 7.670 -2.707 181 HA ILE 22 HA ILE 22 15.530 6.434 -1.878 182 HB ILE 22 HB ILE 22 13.747 5.798 -4.232 183 HG12 ILE 22 HG12 ILE 22 13.931 4.374 -1.576 184 HG13 ILE 22 HG13 ILE 22 12.749 5.636 -1.905 185 HG21 ILE 22 HG21 ILE 22 16.042 4.290 -2.998 186 HG22 ILE 22 HG22 ILE 22 14.872 3.562 -4.098 187 HG23 ILE 22 HG23 ILE 22 15.903 4.880 -4.654 188 HD11 ILE 22 HD11 ILE 22 13.005 3.006 -3.341 189 HD12 ILE 22 HD12 ILE 22 11.749 3.467 -2.192 190 HD13 ILE 22 HD13 ILE 22 11.859 4.281 -3.752 191 H ALA 23 H ALA 23 14.658 8.722 -4.298 192 HA ALA 23 HA ALA 23 16.817 8.236 -6.095 193 HB1 ALA 23 HB1 ALA 23 14.912 10.523 -5.712 194 HB2 ALA 23 HB2 ALA 23 16.231 10.600 -6.881 195 HB3 ALA 23 HB3 ALA 23 14.990 9.356 -7.032 196 H ILE 24 H ILE 24 16.351 10.305 -3.287 197 HA ILE 24 HA ILE 24 18.954 11.553 -3.641 198 HB ILE 24 HB ILE 24 18.410 12.836 -1.627 199 HG12 ILE 24 HG12 ILE 24 15.831 11.252 -1.618 200 HG13 ILE 24 HG13 ILE 24 17.139 11.072 -0.454 201 HG21 ILE 24 HG21 ILE 24 15.874 13.267 -2.902 202 HG22 ILE 24 HG22 ILE 24 17.327 14.264 -2.936 203 HG23 ILE 24 HG23 ILE 24 17.122 12.964 -4.110 204 HD11 ILE 24 HD11 ILE 24 15.304 13.414 -0.835 205 HD12 ILE 24 HD12 ILE 24 15.500 12.392 0.590 206 HD13 ILE 24 HD13 ILE 24 16.785 13.504 0.118 207 H ALA 25 H ALA 25 17.450 9.041 -1.761 208 HA ALA 25 HA ALA 25 19.358 8.830 0.302 209 HB1 ALA 25 HB1 ALA 25 17.038 7.764 0.151 210 HB2 ALA 25 HB2 ALA 25 17.824 6.492 -0.786 211 HB3 ALA 25 HB3 ALA 25 18.333 6.808 0.873 212 H ILE 26 H ILE 26 19.236 7.534 -2.959 213 HA ILE 26 HA ILE 26 21.666 5.981 -2.525 214 HB ILE 26 HB ILE 26 20.024 6.265 -5.043 215 HG12 ILE 26 HG12 ILE 26 18.655 5.240 -3.350 216 HG13 ILE 26 HG13 ILE 26 19.207 3.972 -4.439 217 HG21 ILE 26 HG21 ILE 26 22.239 5.579 -5.586 218 HG22 ILE 26 HG22 ILE 26 22.263 4.408 -4.268 219 HG23 ILE 26 HG23 ILE 26 21.213 4.146 -5.660 220 HD11 ILE 26 HD11 ILE 26 19.307 3.240 -2.136 221 HD12 ILE 26 HD12 ILE 26 20.929 3.348 -2.819 222 HD13 ILE 26 HD13 ILE 26 20.347 4.604 -1.727 223 H GLN 27 H GLN 27 20.610 8.961 -3.943 224 HA GLN 27 HA GLN 27 22.645 9.465 -5.769 225 HB2 GLN 27 HB2 GLN 27 20.668 10.881 -5.581 226 HB3 GLN 27 HB3 GLN 27 21.178 11.416 -3.986 227 HG2 GLN 27 HG2 GLN 27 23.022 12.606 -4.877 228 HG3 GLN 27 HG3 GLN 27 22.808 11.875 -6.466 229 HE21 GLN 27 HE21 GLN 27 22.486 14.657 -4.908 230 HE22 GLN 27 HE22 GLN 27 21.147 15.352 -5.748 231 H GLY 28 H GLY 28 22.706 9.450 -2.309 232 HA2 GLY 28 HA2 GLY 28 25.537 10.275 -2.412 233 HA3 GLY 28 HA3 GLY 28 24.458 10.925 -1.187 234 H GLY 29 H GLY 29 23.963 7.652 -2.126 235 HA2 GLY 29 HA2 GLY 29 24.415 6.701 0.512 236 HA3 GLY 29 HA3 GLY 29 24.108 5.709 -0.906 237 HA PRO 30 HA PRO 30 28.273 4.367 -1.033 238 HB2 PRO 30 HB2 PRO 30 28.891 4.441 -3.676 239 HB3 PRO 30 HB3 PRO 30 27.785 3.250 -2.981 240 HG2 PRO 30 HG2 PRO 30 27.162 5.791 -4.436 241 HG3 PRO 30 HG3 PRO 30 26.401 4.197 -4.592 242 HD2 PRO 30 HD2 PRO 30 25.291 6.207 -3.159 243 HD3 PRO 30 HD3 PRO 30 25.093 4.499 -2.719 244 H ARG 31 H ARG 31 27.519 7.500 -2.259 245 HA ARG 31 HA ARG 31 28.702 9.435 -2.414 246 HB2 ARG 31 HB2 ARG 31 29.338 8.807 -0.085 247 HB3 ARG 31 HB3 ARG 31 30.762 8.002 -0.730 248 HG2 ARG 31 HG2 ARG 31 31.352 10.264 -1.762 249 HG3 ARG 31 HG3 ARG 31 30.132 10.930 -0.674 250 HD2 ARG 31 HD2 ARG 31 31.330 10.325 1.233 251 HD3 ARG 31 HD3 ARG 31 32.308 9.148 0.357 252 HE ARG 31 HE ARG 31 32.872 11.914 0.697 253 HH11 ARG 31 HH11 ARG 31 33.188 9.267 -1.541 254 HH12 ARG 31 HH12 ARG 31 34.587 9.924 -2.323 255 HH21 ARG 31 HH21 ARG 31 34.713 12.790 -0.324 256 HH22 ARG 31 HH22 ARG 31 35.455 11.928 -1.629 Start of MODEL 14 1 H1 SER 1 H SER 1 0.730 -13.751 1.316 2 HA SER 1 HA SER 1 -1.660 -12.530 2.233 3 HB2 SER 1 HB2 SER 1 -1.233 -12.629 4.655 4 HB3 SER 1 HB3 SER 1 -1.491 -14.241 3.989 5 HG SER 1 HG SER 1 0.543 -13.455 5.406 6 H TRP 2 H TRP 2 0.483 -11.740 0.627 7 HA TRP 2 HA TRP 2 1.409 -9.419 2.138 8 HB2 TRP 2 HB2 TRP 2 3.701 -9.656 1.451 9 HB3 TRP 2 HB3 TRP 2 3.210 -11.160 2.225 10 HD1 TRP 2 HD1 TRP 2 2.005 -12.850 0.014 11 HE1 TRP 2 HE1 TRP 2 3.347 -13.584 -2.056 12 HE3 TRP 2 HE3 TRP 2 5.660 -9.277 0.107 13 HZ2 TRP 2 HZ2 TRP 2 5.651 -12.758 -3.463 14 HZ3 TRP 2 HZ3 TRP 2 7.396 -9.320 -1.636 15 HH2 TRP 2 HH2 TRP 2 7.390 -11.025 -3.383 16 H LEU 3 H LEU 3 2.345 -7.736 0.686 17 HA LEU 3 HA LEU 3 0.863 -7.707 -1.847 18 HB2 LEU 3 HB2 LEU 3 1.554 -5.702 0.167 19 HB3 LEU 3 HB3 LEU 3 1.820 -5.166 -1.491 20 HG LEU 3 HG LEU 3 -0.802 -6.266 -0.492 21 HD11 LEU 3 HD11 LEU 3 -0.229 -4.227 0.728 22 HD12 LEU 3 HD12 LEU 3 -1.571 -3.961 -0.384 23 HD13 LEU 3 HD13 LEU 3 0.044 -3.389 -0.800 24 HD21 LEU 3 HD21 LEU 3 -0.181 -6.291 -2.976 25 HD22 LEU 3 HD22 LEU 3 -0.310 -4.534 -2.893 26 HD23 LEU 3 HD23 LEU 3 -1.710 -5.541 -2.520 27 H SER 4 H SER 4 2.035 -6.086 -3.467 28 HA SER 4 HA SER 4 4.834 -6.004 -3.570 29 HB2 SER 4 HB2 SER 4 4.982 -7.720 -5.548 30 HB3 SER 4 HB3 SER 4 5.055 -8.296 -3.883 31 HG SER 4 HG SER 4 3.580 -9.484 -5.218 32 H LYS 5 H LYS 5 4.818 -4.070 -4.536 33 HA LYS 5 HA LYS 5 3.089 -3.611 -6.846 34 HB2 LYS 5 HB2 LYS 5 4.197 -1.968 -4.750 35 HB3 LYS 5 HB3 LYS 5 4.619 -1.306 -6.324 36 HG2 LYS 5 HG2 LYS 5 2.598 -0.279 -5.696 37 HG3 LYS 5 HG3 LYS 5 2.175 -1.479 -6.920 38 HD2 LYS 5 HD2 LYS 5 2.012 -2.873 -4.532 39 HD3 LYS 5 HD3 LYS 5 1.351 -1.284 -4.141 40 HE2 LYS 5 HE2 LYS 5 0.227 -1.882 -6.596 41 HE3 LYS 5 HE3 LYS 5 0.229 -3.429 -5.750 42 HZ1 LYS 5 HZ1 LYS 5 -1.101 -2.593 -4.059 43 HZ2 LYS 5 HZ2 LYS 5 -1.771 -1.896 -5.446 44 HZ3 LYS 5 HZ3 LYS 5 -0.768 -0.978 -4.439 45 H THR 6 H THR 6 6.410 -2.548 -6.127 46 HA THR 6 HA THR 6 8.342 -2.678 -7.338 47 HB THR 6 HB THR 6 7.007 -4.439 -9.375 48 HG1 THR 6 HG1 THR 6 7.875 -5.130 -6.756 49 HG21 THR 6 HG21 THR 6 9.702 -3.622 -8.726 50 HG22 THR 6 HG22 THR 6 9.104 -4.490 -10.140 51 HG23 THR 6 HG23 THR 6 9.544 -5.377 -8.681 52 H ALA 7 H ALA 7 5.830 -2.986 -9.850 53 HA ALA 7 HA ALA 7 5.283 -1.676 -11.629 54 HB1 ALA 7 HB1 ALA 7 6.550 0.680 -10.286 55 HB2 ALA 7 HB2 ALA 7 5.108 0.614 -11.299 56 HB3 ALA 7 HB3 ALA 7 5.060 -0.022 -9.655 57 H LYS 8 H LYS 8 8.115 -2.794 -11.165 58 HA LYS 8 HA LYS 8 10.034 -1.182 -12.357 59 HB2 LYS 8 HB2 LYS 8 9.658 -4.139 -12.125 60 HB3 LYS 8 HB3 LYS 8 10.933 -3.527 -13.171 61 HG2 LYS 8 HG2 LYS 8 12.008 -2.432 -11.351 62 HG3 LYS 8 HG3 LYS 8 10.644 -2.755 -10.278 63 HD2 LYS 8 HD2 LYS 8 11.699 -4.611 -9.641 64 HD3 LYS 8 HD3 LYS 8 11.399 -5.255 -11.257 65 HE2 LYS 8 HE2 LYS 8 13.764 -3.499 -10.695 66 HE3 LYS 8 HE3 LYS 8 13.817 -5.231 -10.369 67 HZ1 LYS 8 HZ1 LYS 8 12.794 -5.012 -12.904 68 HZ2 LYS 8 HZ2 LYS 8 14.366 -5.477 -12.490 69 HZ3 LYS 8 HZ3 LYS 8 14.031 -3.860 -12.854 70 H LYS 9 H LYS 9 7.371 -2.881 -13.775 71 HA LYS 9 HA LYS 9 7.490 -1.504 -16.201 72 HB2 LYS 9 HB2 LYS 9 9.456 -3.396 -16.177 73 HB3 LYS 9 HB3 LYS 9 8.128 -4.293 -16.903 74 HG2 LYS 9 HG2 LYS 9 9.293 -1.696 -17.885 75 HG3 LYS 9 HG3 LYS 9 9.476 -3.288 -18.625 76 HD2 LYS 9 HD2 LYS 9 7.084 -3.378 -19.065 77 HD3 LYS 9 HD3 LYS 9 6.863 -1.819 -18.268 78 HE2 LYS 9 HE2 LYS 9 8.699 -1.092 -20.046 79 HE3 LYS 9 HE3 LYS 9 8.014 -2.456 -20.930 80 HZ1 LYS 9 HZ1 LYS 9 5.909 -1.456 -20.961 81 HZ2 LYS 9 HZ2 LYS 9 6.984 -0.209 -21.348 82 HZ3 LYS 9 HZ3 LYS 9 6.327 -0.306 -19.792 83 H LEU 10 H LEU 10 5.546 -2.236 -14.306 84 HA LEU 10 HA LEU 10 3.688 -3.694 -16.043 85 HB2 LEU 10 HB2 LEU 10 2.738 -4.789 -13.999 86 HB3 LEU 10 HB3 LEU 10 4.328 -5.362 -14.497 87 HG LEU 10 HG LEU 10 4.366 -3.230 -12.475 88 HD11 LEU 10 HD11 LEU 10 3.580 -4.481 -10.658 89 HD12 LEU 10 HD12 LEU 10 3.505 -5.969 -11.601 90 HD13 LEU 10 HD13 LEU 10 2.346 -4.675 -11.903 91 HD21 LEU 10 HD21 LEU 10 6.235 -4.343 -11.726 92 HD22 LEU 10 HD22 LEU 10 6.246 -4.765 -13.439 93 HD23 LEU 10 HD23 LEU 10 5.640 -5.919 -12.250 94 H GLU 11 H GLU 11 3.367 -1.227 -16.312 95 HA GLU 11 HA GLU 11 0.902 -0.555 -15.108 96 HB2 GLU 11 HB2 GLU 11 3.237 0.237 -13.651 97 HB3 GLU 11 HB3 GLU 11 2.444 1.675 -14.278 98 HG2 GLU 11 HG2 GLU 11 0.294 0.661 -13.308 99 HG3 GLU 11 HG3 GLU 11 1.376 -0.388 -12.394 100 H ASN 12 H ASN 12 0.269 1.770 -15.677 101 HA ASN 12 HA ASN 12 0.710 2.141 -18.458 102 HB2 ASN 12 HB2 ASN 12 -0.945 3.361 -16.360 103 HB3 ASN 12 HB3 ASN 12 -0.442 4.487 -17.618 104 HD21 ASN 12 HD21 ASN 12 -2.094 1.459 -16.994 105 HD22 ASN 12 HD22 ASN 12 -3.043 1.462 -18.438 106 H SER 13 H SER 13 1.459 4.273 -15.695 107 HA SER 13 HA SER 13 4.071 4.875 -16.542 108 HB2 SER 13 HB2 SER 13 2.952 6.046 -18.384 109 HB3 SER 13 HB3 SER 13 2.007 6.984 -17.227 110 HG SER 13 HG SER 13 4.250 7.707 -18.209 111 H ALA 14 H ALA 14 2.732 4.228 -14.137 112 HA ALA 14 HA ALA 14 2.876 6.704 -12.567 113 HB1 ALA 14 HB1 ALA 14 2.005 4.142 -11.341 114 HB2 ALA 14 HB2 ALA 14 1.431 5.787 -11.060 115 HB3 ALA 14 HB3 ALA 14 0.929 4.913 -12.507 116 H LYS 15 H LYS 15 4.818 4.185 -13.474 117 HA LYS 15 HA LYS 15 6.232 3.948 -10.934 118 HB2 LYS 15 HB2 LYS 15 7.345 2.111 -11.841 119 HB3 LYS 15 HB3 LYS 15 5.751 2.010 -12.576 120 HG2 LYS 15 HG2 LYS 15 7.995 3.408 -13.976 121 HG3 LYS 15 HG3 LYS 15 7.826 1.653 -14.051 122 HD2 LYS 15 HD2 LYS 15 6.367 1.923 -15.709 123 HD3 LYS 15 HD3 LYS 15 5.271 2.694 -14.559 124 HE2 LYS 15 HE2 LYS 15 5.664 4.744 -15.383 125 HE3 LYS 15 HE3 LYS 15 7.395 4.450 -15.546 126 HZ1 LYS 15 HZ1 LYS 15 5.738 4.705 -17.612 127 HZ2 LYS 15 HZ2 LYS 15 5.694 3.026 -17.417 128 HZ3 LYS 15 HZ3 LYS 15 7.171 3.809 -17.675 129 H LYS 16 H LYS 16 6.372 5.736 -13.840 130 HA LYS 16 HA LYS 16 9.202 6.292 -13.717 131 HB2 LYS 16 HB2 LYS 16 7.220 6.498 -15.677 132 HB3 LYS 16 HB3 LYS 16 7.664 8.161 -15.314 133 HG2 LYS 16 HG2 LYS 16 9.008 7.369 -17.131 134 HG3 LYS 16 HG3 LYS 16 10.033 7.571 -15.709 135 HD2 LYS 16 HD2 LYS 16 9.316 4.999 -15.395 136 HD3 LYS 16 HD3 LYS 16 9.246 5.116 -17.155 137 HE2 LYS 16 HE2 LYS 16 11.618 6.401 -16.159 138 HE3 LYS 16 HE3 LYS 16 11.515 4.751 -15.546 139 HZ1 LYS 16 HZ1 LYS 16 10.834 4.789 -18.281 140 HZ2 LYS 16 HZ2 LYS 16 12.113 3.986 -17.520 141 HZ3 LYS 16 HZ3 LYS 16 12.319 5.572 -18.072 142 H ARG 17 H ARG 17 6.222 7.780 -12.655 143 HA ARG 17 HA ARG 17 7.349 10.331 -12.053 144 HB2 ARG 17 HB2 ARG 17 5.258 10.879 -11.124 145 HB3 ARG 17 HB3 ARG 17 4.885 9.769 -12.436 146 HG2 ARG 17 HG2 ARG 17 5.031 7.980 -10.504 147 HG3 ARG 17 HG3 ARG 17 4.663 9.386 -9.502 148 HD2 ARG 17 HD2 ARG 17 2.981 9.282 -11.853 149 HD3 ARG 17 HD3 ARG 17 2.853 7.804 -10.901 150 HE ARG 17 HE ARG 17 1.827 8.999 -9.225 151 HH11 ARG 17 HH11 ARG 17 3.182 11.185 -11.571 152 HH12 ARG 17 HH12 ARG 17 2.397 12.583 -10.915 153 HH21 ARG 17 HH21 ARG 17 0.787 10.832 -8.352 154 HH22 ARG 17 HH22 ARG 17 1.035 12.381 -9.083 155 H ILE 18 H ILE 18 6.947 7.325 -10.305 156 HA ILE 18 HA ILE 18 7.701 8.474 -7.764 157 HB ILE 18 HB ILE 18 7.536 6.254 -6.865 158 HG12 ILE 18 HG12 ILE 18 7.315 5.319 -9.735 159 HG13 ILE 18 HG13 ILE 18 8.679 5.039 -8.659 160 HG21 ILE 18 HG21 ILE 18 5.353 6.733 -8.889 161 HG22 ILE 18 HG22 ILE 18 5.235 5.678 -7.482 162 HG23 ILE 18 HG23 ILE 18 5.437 7.416 -7.266 163 HD11 ILE 18 HD11 ILE 18 7.389 3.046 -8.763 164 HD12 ILE 18 HD12 ILE 18 7.141 3.764 -7.171 165 HD13 ILE 18 HD13 ILE 18 5.900 3.923 -8.414 166 H SER 19 H SER 19 9.260 6.892 -10.433 167 HA SER 19 HA SER 19 11.597 5.999 -9.163 168 HB2 SER 19 HB2 SER 19 10.604 6.032 -11.776 169 HB3 SER 19 HB3 SER 19 12.103 6.957 -11.855 170 HG SER 19 HG SER 19 11.867 4.390 -10.669 171 H GLU 20 H GLU 20 10.489 9.149 -9.821 172 HA GLU 20 HA GLU 20 13.074 10.404 -9.968 173 HB2 GLU 20 HB2 GLU 20 10.483 11.164 -10.606 174 HB3 GLU 20 HB3 GLU 20 10.867 12.145 -9.199 175 HG2 GLU 20 HG2 GLU 20 13.124 12.282 -10.835 176 HG3 GLU 20 HG3 GLU 20 11.741 12.426 -11.919 177 H GLY 21 H GLY 21 10.518 10.124 -7.513 178 HA2 GLY 21 HA2 GLY 21 12.093 11.521 -5.535 179 HA3 GLY 21 HA3 GLY 21 10.529 10.759 -5.281 180 H ILE 22 H ILE 22 11.395 8.183 -6.351 181 HA ILE 22 HA ILE 22 12.480 7.109 -3.924 182 HB ILE 22 HB ILE 22 11.889 5.754 -6.558 183 HG12 ILE 22 HG12 ILE 22 9.920 6.738 -5.404 184 HG13 ILE 22 HG13 ILE 22 9.852 4.981 -5.489 185 HG21 ILE 22 HG21 ILE 22 12.865 4.730 -3.930 186 HG22 ILE 22 HG22 ILE 22 11.821 3.719 -4.929 187 HG23 ILE 22 HG23 ILE 22 13.365 4.290 -5.563 188 HD11 ILE 22 HD11 ILE 22 9.515 6.555 -3.240 189 HD12 ILE 22 HD12 ILE 22 9.746 4.807 -3.284 190 HD13 ILE 22 HD13 ILE 22 11.132 5.874 -3.061 191 H ALA 23 H ALA 23 13.771 8.163 -6.931 192 HA ALA 23 HA ALA 23 16.148 6.591 -6.922 193 HB1 ALA 23 HB1 ALA 23 15.320 9.086 -8.370 194 HB2 ALA 23 HB2 ALA 23 16.944 8.414 -8.529 195 HB3 ALA 23 HB3 ALA 23 15.542 7.457 -9.010 196 H ILE 24 H ILE 24 15.293 9.784 -5.688 197 HA ILE 24 HA ILE 24 18.008 10.248 -4.753 198 HB ILE 24 HB ILE 24 17.257 12.427 -4.062 199 HG12 ILE 24 HG12 ILE 24 14.659 12.767 -4.862 200 HG13 ILE 24 HG13 ILE 24 14.616 11.138 -4.195 201 HG21 ILE 24 HG21 ILE 24 15.907 11.926 -6.697 202 HG22 ILE 24 HG22 ILE 24 16.774 13.364 -6.160 203 HG23 ILE 24 HG23 ILE 24 17.660 11.881 -6.516 204 HD11 ILE 24 HD11 ILE 24 16.012 12.527 -2.293 205 HD12 ILE 24 HD12 ILE 24 14.825 13.706 -2.851 206 HD13 ILE 24 HD13 ILE 24 14.293 12.140 -2.238 207 H ALA 25 H ALA 25 14.915 9.235 -3.531 208 HA ALA 25 HA ALA 25 15.393 9.719 -0.780 209 HB1 ALA 25 HB1 ALA 25 13.146 9.387 -1.628 210 HB2 ALA 25 HB2 ALA 25 13.546 7.736 -2.104 211 HB3 ALA 25 HB3 ALA 25 13.515 8.179 -0.397 212 H ILE 26 H ILE 26 16.025 6.976 -2.903 213 HA ILE 26 HA ILE 26 17.032 5.366 -0.706 214 HB ILE 26 HB ILE 26 16.990 4.785 -3.670 215 HG12 ILE 26 HG12 ILE 26 14.736 4.943 -2.834 216 HG13 ILE 26 HG13 ILE 26 15.124 3.238 -3.039 217 HG21 ILE 26 HG21 ILE 26 17.181 2.377 -2.640 218 HG22 ILE 26 HG22 ILE 26 18.618 3.360 -2.917 219 HG23 ILE 26 HG23 ILE 26 17.926 3.247 -1.299 220 HD11 ILE 26 HD11 ILE 26 15.141 4.754 -0.440 221 HD12 ILE 26 HD12 ILE 26 13.905 3.617 -0.980 222 HD13 ILE 26 HD13 ILE 26 15.539 3.048 -0.642 223 H GLN 27 H GLN 27 18.246 7.375 -3.277 224 HA GLN 27 HA GLN 27 20.867 6.471 -3.476 225 HB2 GLN 27 HB2 GLN 27 20.020 8.100 -5.029 226 HB3 GLN 27 HB3 GLN 27 19.743 9.261 -3.737 227 HG2 GLN 27 HG2 GLN 27 22.020 9.690 -3.472 228 HG3 GLN 27 HG3 GLN 27 22.488 8.229 -4.340 229 HE21 GLN 27 HE21 GLN 27 21.607 8.192 -6.662 230 HE22 GLN 27 HE22 GLN 27 21.822 9.650 -7.563 231 H GLY 28 H GLY 28 19.302 8.228 -0.938 232 HA2 GLY 28 HA2 GLY 28 21.890 8.385 0.476 233 HA3 GLY 28 HA3 GLY 28 20.722 9.696 0.550 234 H GLY 29 H GLY 29 19.589 6.421 0.520 235 HA2 GLY 29 HA2 GLY 29 18.349 6.793 3.094 236 HA3 GLY 29 HA3 GLY 29 18.210 5.378 2.062 237 HA PRO 30 HA PRO 30 20.962 3.107 4.599 238 HB2 PRO 30 HB2 PRO 30 22.496 1.755 2.813 239 HB3 PRO 30 HB3 PRO 30 20.796 1.371 3.103 240 HG2 PRO 30 HG2 PRO 30 22.025 2.980 0.898 241 HG3 PRO 30 HG3 PRO 30 20.738 1.763 0.812 242 HD2 PRO 30 HD2 PRO 30 20.232 4.423 0.787 243 HD3 PRO 30 HD3 PRO 30 19.117 3.246 1.509 244 H ARG 31 H ARG 31 22.402 5.145 2.146 245 HA ARG 31 HA ARG 31 25.088 4.951 3.036 246 HB2 ARG 31 HB2 ARG 31 24.084 5.894 0.805 247 HB3 ARG 31 HB3 ARG 31 24.021 7.408 1.697 248 HG2 ARG 31 HG2 ARG 31 26.173 7.764 1.331 249 HG3 ARG 31 HG3 ARG 31 26.593 6.204 2.041 250 HD2 ARG 31 HD2 ARG 31 25.552 6.418 -0.764 251 HD3 ARG 31 HD3 ARG 31 27.261 6.656 -0.401 252 HE ARG 31 HE ARG 31 25.859 4.174 -0.493 253 HH11 ARG 31 HH11 ARG 31 28.481 5.855 1.061 254 HH12 ARG 31 HH12 ARG 31 29.361 4.409 1.432 255 HH21 ARG 31 HH21 ARG 31 27.007 2.263 -0.010 256 HH22 ARG 31 HH22 ARG 31 28.521 2.367 0.822 Start of MODEL 15 1 H1 SER 1 H SER 1 0.328 -11.519 -1.537 2 HA SER 1 HA SER 1 0.083 -10.127 -3.331 3 HB2 SER 1 HB2 SER 1 1.251 -8.104 -1.414 4 HB3 SER 1 HB3 SER 1 0.785 -7.703 -3.067 5 HG SER 1 HG SER 1 -1.027 -8.974 -1.323 6 H TRP 2 H TRP 2 2.040 -11.881 -3.515 7 HA TRP 2 HA TRP 2 4.523 -10.507 -4.198 8 HB2 TRP 2 HB2 TRP 2 3.801 -13.440 -4.075 9 HB3 TRP 2 HB3 TRP 2 5.377 -12.838 -4.582 10 HD1 TRP 2 HD1 TRP 2 3.781 -14.177 -1.637 11 HE1 TRP 2 HE1 TRP 2 5.015 -13.497 0.517 12 HE3 TRP 2 HE3 TRP 2 6.669 -10.399 -3.514 13 HZ2 TRP 2 HZ2 TRP 2 6.956 -11.609 1.315 14 HZ3 TRP 2 HZ3 TRP 2 8.187 -9.206 -1.989 15 HH2 TRP 2 HH2 TRP 2 8.326 -9.799 0.375 16 H LEU 3 H LEU 3 1.985 -12.449 -5.713 17 HA LEU 3 HA LEU 3 3.179 -12.312 -8.322 18 HB2 LEU 3 HB2 LEU 3 0.483 -13.217 -7.341 19 HB3 LEU 3 HB3 LEU 3 0.943 -13.239 -9.042 20 HG LEU 3 HG LEU 3 2.794 -14.633 -7.226 21 HD11 LEU 3 HD11 LEU 3 1.384 -16.587 -6.975 22 HD12 LEU 3 HD12 LEU 3 0.047 -15.752 -7.763 23 HD13 LEU 3 HD13 LEU 3 0.635 -15.192 -6.198 24 HD21 LEU 3 HD21 LEU 3 2.946 -16.157 -9.028 25 HD22 LEU 3 HD22 LEU 3 2.877 -14.548 -9.748 26 HD23 LEU 3 HD23 LEU 3 1.443 -15.575 -9.744 27 H SER 4 H SER 4 2.663 -10.990 -10.009 28 HA SER 4 HA SER 4 0.426 -9.187 -9.908 29 HB2 SER 4 HB2 SER 4 3.217 -8.018 -9.792 30 HB3 SER 4 HB3 SER 4 1.710 -7.112 -9.930 31 HG SER 4 HG SER 4 1.147 -7.776 -7.875 32 H LYS 5 H LYS 5 -0.170 -9.987 -11.887 33 HA LYS 5 HA LYS 5 1.504 -10.438 -14.077 34 HB2 LYS 5 HB2 LYS 5 -0.516 -10.471 -15.424 35 HB3 LYS 5 HB3 LYS 5 -0.806 -11.293 -13.896 36 HG2 LYS 5 HG2 LYS 5 -1.558 -8.718 -13.338 37 HG3 LYS 5 HG3 LYS 5 -2.066 -8.919 -15.016 38 HD2 LYS 5 HD2 LYS 5 -2.707 -10.938 -12.881 39 HD3 LYS 5 HD3 LYS 5 -3.753 -9.558 -13.223 40 HE2 LYS 5 HE2 LYS 5 -4.724 -10.864 -14.752 41 HE3 LYS 5 HE3 LYS 5 -3.272 -10.613 -15.719 42 HZ1 LYS 5 HZ1 LYS 5 -4.223 -13.013 -14.866 43 HZ2 LYS 5 HZ2 LYS 5 -2.966 -12.699 -13.779 44 HZ3 LYS 5 HZ3 LYS 5 -2.660 -12.721 -15.443 45 H THR 6 H THR 6 -0.028 -7.515 -12.920 46 HA THR 6 HA THR 6 1.482 -5.994 -14.925 47 HB THR 6 HB THR 6 -0.882 -6.175 -15.691 48 HG1 THR 6 HG1 THR 6 -0.101 -4.344 -16.477 49 HG21 THR 6 HG21 THR 6 -1.689 -4.334 -13.482 50 HG22 THR 6 HG22 THR 6 -1.681 -6.073 -13.192 51 HG23 THR 6 HG23 THR 6 -2.682 -5.398 -14.477 52 H ALA 7 H ALA 7 1.368 -3.562 -14.343 53 HA ALA 7 HA ALA 7 1.941 -1.901 -12.897 54 HB1 ALA 7 HB1 ALA 7 0.738 -2.970 -10.487 55 HB2 ALA 7 HB2 ALA 7 0.352 -1.504 -11.389 56 HB3 ALA 7 HB3 ALA 7 -0.357 -3.047 -11.868 57 H LYS 8 H LYS 8 3.449 -4.547 -13.025 58 HA LYS 8 HA LYS 8 4.568 -5.219 -10.578 59 HB2 LYS 8 HB2 LYS 8 5.608 -5.314 -13.393 60 HB3 LYS 8 HB3 LYS 8 6.637 -5.787 -12.048 61 HG2 LYS 8 HG2 LYS 8 4.116 -7.082 -11.768 62 HG3 LYS 8 HG3 LYS 8 4.713 -7.334 -13.410 63 HD2 LYS 8 HD2 LYS 8 6.406 -7.782 -10.960 64 HD3 LYS 8 HD3 LYS 8 5.424 -9.051 -11.695 65 HE2 LYS 8 HE2 LYS 8 6.813 -9.281 -13.460 66 HE3 LYS 8 HE3 LYS 8 7.165 -7.556 -13.541 67 HZ1 LYS 8 HZ1 LYS 8 8.925 -7.757 -12.166 68 HZ2 LYS 8 HZ2 LYS 8 8.935 -9.347 -12.743 69 HZ3 LYS 8 HZ3 LYS 8 8.230 -8.996 -11.246 70 H LYS 9 H LYS 9 5.062 -2.414 -12.536 71 HA LYS 9 HA LYS 9 6.354 -0.965 -10.529 72 HB2 LYS 9 HB2 LYS 9 8.621 -0.755 -11.637 73 HB3 LYS 9 HB3 LYS 9 8.307 -2.279 -10.819 74 HG2 LYS 9 HG2 LYS 9 7.473 -2.511 -13.532 75 HG3 LYS 9 HG3 LYS 9 9.112 -1.857 -13.488 76 HD2 LYS 9 HD2 LYS 9 9.318 -3.812 -11.636 77 HD3 LYS 9 HD3 LYS 9 8.106 -4.518 -12.708 78 HE2 LYS 9 HE2 LYS 9 9.552 -4.609 -14.500 79 HE3 LYS 9 HE3 LYS 9 10.568 -3.308 -13.881 80 HZ1 LYS 9 HZ1 LYS 9 10.946 -6.060 -13.613 81 HZ2 LYS 9 HZ2 LYS 9 10.639 -5.446 -12.067 82 HZ3 LYS 9 HZ3 LYS 9 11.905 -4.812 -12.993 83 H LEU 10 H LEU 10 4.268 -0.528 -12.323 84 HA LEU 10 HA LEU 10 5.260 1.859 -13.687 85 HB2 LEU 10 HB2 LEU 10 3.487 1.140 -15.522 86 HB3 LEU 10 HB3 LEU 10 5.181 0.663 -15.605 87 HG LEU 10 HG LEU 10 3.435 -1.223 -14.177 88 HD11 LEU 10 HD11 LEU 10 2.978 -0.495 -17.043 89 HD12 LEU 10 HD12 LEU 10 1.801 -0.817 -15.770 90 HD13 LEU 10 HD13 LEU 10 2.719 -2.146 -16.478 91 HD21 LEU 10 HD21 LEU 10 5.241 -1.779 -16.501 92 HD22 LEU 10 HD22 LEU 10 4.832 -2.814 -15.132 93 HD23 LEU 10 HD23 LEU 10 5.904 -1.431 -14.904 94 H GLU 11 H GLU 11 2.185 0.063 -13.460 95 HA GLU 11 HA GLU 11 0.147 0.646 -12.624 96 HB2 GLU 11 HB2 GLU 11 2.013 2.080 -10.986 97 HB3 GLU 11 HB3 GLU 11 0.608 3.095 -11.279 98 HG2 GLU 11 HG2 GLU 11 -0.552 0.706 -10.682 99 HG3 GLU 11 HG3 GLU 11 0.881 0.682 -9.656 100 H ASN 12 H ASN 12 1.564 3.890 -12.936 101 HA ASN 12 HA ASN 12 0.359 4.453 -15.443 102 HB2 ASN 12 HB2 ASN 12 -1.424 4.579 -13.313 103 HB3 ASN 12 HB3 ASN 12 -0.950 6.256 -13.567 104 HD21 ASN 12 HD21 ASN 12 -3.031 3.853 -14.493 105 HD22 ASN 12 HD22 ASN 12 -3.584 4.526 -15.986 106 H SER 13 H SER 13 1.527 5.783 -12.381 107 HA SER 13 HA SER 13 3.645 7.201 -13.523 108 HB2 SER 13 HB2 SER 13 1.321 8.501 -14.122 109 HB3 SER 13 HB3 SER 13 1.774 9.290 -12.612 110 HG SER 13 HG SER 13 2.913 10.432 -14.015 111 H ALA 14 H ALA 14 3.233 5.556 -11.300 112 HA ALA 14 HA ALA 14 3.546 7.389 -9.020 113 HB1 ALA 14 HB1 ALA 14 3.295 5.125 -7.739 114 HB2 ALA 14 HB2 ALA 14 1.874 5.945 -8.387 115 HB3 ALA 14 HB3 ALA 14 2.576 4.579 -9.254 116 H LYS 15 H LYS 15 5.366 5.734 -11.198 117 HA LYS 15 HA LYS 15 7.446 4.931 -9.308 118 HB2 LYS 15 HB2 LYS 15 8.409 3.686 -11.039 119 HB3 LYS 15 HB3 LYS 15 6.681 3.515 -11.319 120 HG2 LYS 15 HG2 LYS 15 8.238 5.658 -12.706 121 HG3 LYS 15 HG3 LYS 15 8.239 4.001 -13.314 122 HD2 LYS 15 HD2 LYS 15 6.309 4.418 -14.335 123 HD3 LYS 15 HD3 LYS 15 5.556 4.650 -12.756 124 HE2 LYS 15 HE2 LYS 15 5.516 6.888 -12.968 125 HE3 LYS 15 HE3 LYS 15 7.110 6.944 -13.718 126 HZ1 LYS 15 HZ1 LYS 15 4.684 6.036 -15.158 127 HZ2 LYS 15 HZ2 LYS 15 6.191 6.432 -15.816 128 HZ3 LYS 15 HZ3 LYS 15 5.208 7.645 -15.164 129 H LYS 16 H LYS 16 6.632 7.481 -11.455 130 HA LYS 16 HA LYS 16 9.339 8.452 -11.754 131 HB2 LYS 16 HB2 LYS 16 6.893 8.857 -13.093 132 HB3 LYS 16 HB3 LYS 16 7.331 10.414 -12.403 133 HG2 LYS 16 HG2 LYS 16 8.202 10.246 -14.636 134 HG3 LYS 16 HG3 LYS 16 9.539 10.241 -13.484 135 HD2 LYS 16 HD2 LYS 16 9.004 7.577 -13.728 136 HD3 LYS 16 HD3 LYS 16 8.647 8.164 -15.354 137 HE2 LYS 16 HE2 LYS 16 11.154 9.071 -14.032 138 HE3 LYS 16 HE3 LYS 16 11.083 7.423 -14.653 139 HZ1 LYS 16 HZ1 LYS 16 11.548 9.770 -16.079 140 HZ2 LYS 16 HZ2 LYS 16 10.048 9.177 -16.588 141 HZ3 LYS 16 HZ3 LYS 16 11.422 8.195 -16.684 142 H ARG 17 H ARG 17 6.492 9.191 -9.825 143 HA ARG 17 HA ARG 17 7.540 11.586 -8.685 144 HB2 ARG 17 HB2 ARG 17 5.598 11.663 -7.405 145 HB3 ARG 17 HB3 ARG 17 5.080 10.788 -8.839 146 HG2 ARG 17 HG2 ARG 17 5.538 8.664 -7.537 147 HG3 ARG 17 HG3 ARG 17 5.676 9.693 -6.110 148 HD2 ARG 17 HD2 ARG 17 3.276 9.541 -7.931 149 HD3 ARG 17 HD3 ARG 17 3.422 8.734 -6.370 150 HE ARG 17 HE ARG 17 2.858 11.514 -6.841 151 HH11 ARG 17 HH11 ARG 17 4.116 9.187 -4.577 152 HH12 ARG 17 HH12 ARG 17 3.794 10.171 -3.187 153 HH21 ARG 17 HH21 ARG 17 2.430 12.818 -5.019 154 HH22 ARG 17 HH22 ARG 17 2.834 12.236 -3.440 155 H ILE 18 H ILE 18 7.709 8.193 -7.883 156 HA ILE 18 HA ILE 18 8.779 8.657 -5.241 157 HB ILE 18 HB ILE 18 9.078 6.227 -5.139 158 HG12 ILE 18 HG12 ILE 18 7.923 5.037 -7.222 159 HG13 ILE 18 HG13 ILE 18 8.518 6.466 -8.059 160 HG21 ILE 18 HG21 ILE 18 6.920 7.157 -4.544 161 HG22 ILE 18 HG22 ILE 18 6.399 7.081 -6.226 162 HG23 ILE 18 HG23 ILE 18 6.710 5.593 -5.331 163 HD11 ILE 18 HD11 ILE 18 10.418 5.351 -8.306 164 HD12 ILE 18 HD12 ILE 18 10.690 5.628 -6.585 165 HD13 ILE 18 HD13 ILE 18 9.943 4.126 -7.130 166 H SER 19 H SER 19 9.994 8.119 -8.454 167 HA SER 19 HA SER 19 12.614 7.303 -7.772 168 HB2 SER 19 HB2 SER 19 13.184 7.787 -10.075 169 HB3 SER 19 HB3 SER 19 11.586 7.043 -10.035 170 HG SER 19 HG SER 19 12.331 9.636 -10.699 171 H GLU 20 H GLU 20 11.042 10.250 -7.381 172 HA GLU 20 HA GLU 20 13.407 11.905 -7.669 173 HB2 GLU 20 HB2 GLU 20 10.730 12.418 -7.919 174 HB3 GLU 20 HB3 GLU 20 11.067 13.061 -6.317 175 HG2 GLU 20 HG2 GLU 20 13.053 14.245 -7.479 176 HG3 GLU 20 HG3 GLU 20 12.159 13.913 -8.962 177 H GLY 21 H GLY 21 11.288 10.775 -5.051 178 HA2 GLY 21 HA2 GLY 21 12.925 12.002 -3.015 179 HA3 GLY 21 HA3 GLY 21 11.537 10.957 -2.752 180 H ILE 22 H ILE 22 12.520 8.778 -4.366 181 HA ILE 22 HA ILE 22 14.132 7.488 -2.382 182 HB ILE 22 HB ILE 22 13.304 6.527 -5.123 183 HG12 ILE 22 HG12 ILE 22 12.141 5.956 -2.388 184 HG13 ILE 22 HG13 ILE 22 11.410 6.984 -3.615 185 HG21 ILE 22 HG21 ILE 22 13.826 4.277 -4.211 186 HG22 ILE 22 HG22 ILE 22 15.241 5.312 -4.395 187 HG23 ILE 22 HG23 ILE 22 14.536 5.059 -2.799 188 HD11 ILE 22 HD11 ILE 22 11.567 4.037 -3.453 189 HD12 ILE 22 HD12 ILE 22 10.257 5.079 -4.009 190 HD13 ILE 22 HD13 ILE 22 11.643 4.771 -5.055 191 H ALA 23 H ALA 23 14.767 9.255 -5.256 192 HA ALA 23 HA ALA 23 17.294 8.087 -5.885 193 HB1 ALA 23 HB1 ALA 23 15.903 10.611 -6.713 194 HB2 ALA 23 HB2 ALA 23 17.565 10.274 -7.201 195 HB3 ALA 23 HB3 ALA 23 16.267 9.177 -7.674 196 H ILE 24 H ILE 24 16.249 10.879 -3.990 197 HA ILE 24 HA ILE 24 18.996 11.592 -3.358 198 HB ILE 24 HB ILE 24 18.090 13.485 -2.177 199 HG12 ILE 24 HG12 ILE 24 15.370 13.530 -2.565 200 HG13 ILE 24 HG13 ILE 24 15.659 11.838 -2.179 201 HG21 ILE 24 HG21 ILE 24 18.230 13.566 -4.651 202 HG22 ILE 24 HG22 ILE 24 16.530 13.107 -4.727 203 HG23 ILE 24 HG23 ILE 24 16.998 14.637 -3.985 204 HD11 ILE 24 HD11 ILE 24 15.310 13.876 -0.378 205 HD12 ILE 24 HD12 ILE 24 15.997 12.289 -0.031 206 HD13 ILE 24 HD13 ILE 24 17.058 13.650 -0.394 207 H ALA 25 H ALA 25 16.310 9.906 -1.945 208 HA ALA 25 HA ALA 25 17.083 10.021 0.764 209 HB1 ALA 25 HB1 ALA 25 15.616 8.068 1.059 210 HB2 ALA 25 HB2 ALA 25 14.850 9.345 0.114 211 HB3 ALA 25 HB3 ALA 25 15.492 7.915 -0.694 212 H ILE 26 H ILE 26 18.081 7.987 -1.901 213 HA ILE 26 HA ILE 26 19.678 6.312 -0.109 214 HB ILE 26 HB ILE 26 19.282 6.035 -3.090 215 HG12 ILE 26 HG12 ILE 26 17.154 5.722 -2.011 216 HG13 ILE 26 HG13 ILE 26 17.781 4.135 -2.442 217 HG21 ILE 26 HG21 ILE 26 21.073 4.707 -2.857 218 HG22 ILE 26 HG22 ILE 26 20.909 4.628 -1.104 219 HG23 ILE 26 HG23 ILE 26 19.935 3.574 -2.129 220 HD11 ILE 26 HD11 ILE 26 18.515 3.806 -0.135 221 HD12 ILE 26 HD12 ILE 26 17.865 5.390 0.291 222 HD13 ILE 26 HD13 ILE 26 16.780 4.104 -0.240 223 H GLN 27 H GLN 27 19.969 8.896 -2.377 224 HA GLN 27 HA GLN 27 22.596 8.623 -3.241 225 HB2 GLN 27 HB2 GLN 27 21.068 10.302 -4.146 226 HB3 GLN 27 HB3 GLN 27 21.078 11.160 -2.611 227 HG2 GLN 27 HG2 GLN 27 22.523 12.347 -4.032 228 HG3 GLN 27 HG3 GLN 27 23.559 11.452 -2.922 229 HE21 GLN 27 HE21 GLN 27 24.629 12.396 -5.204 230 HE22 GLN 27 HE22 GLN 27 24.956 11.104 -6.304 231 H GLY 28 H GLY 28 21.352 9.504 -0.132 232 HA2 GLY 28 HA2 GLY 28 24.121 9.792 0.830 233 HA3 GLY 28 HA3 GLY 28 22.908 10.977 1.292 234 H GLY 29 H GLY 29 22.052 7.623 0.946 235 HA2 GLY 29 HA2 GLY 29 21.281 7.538 3.738 236 HA3 GLY 29 HA3 GLY 29 20.961 6.306 2.527 237 HA PRO 30 HA PRO 30 24.208 3.794 4.049 238 HB2 PRO 30 HB2 PRO 30 25.374 2.834 1.793 239 HB3 PRO 30 HB3 PRO 30 23.773 2.321 2.340 240 HG2 PRO 30 HG2 PRO 30 24.504 4.331 0.246 241 HG3 PRO 30 HG3 PRO 30 23.248 3.080 0.206 242 HD2 PRO 30 HD2 PRO 30 22.701 5.679 0.736 243 HD3 PRO 30 HD3 PRO 30 21.775 4.343 1.451 244 H ARG 31 H ARG 31 25.085 6.284 1.754 245 HA ARG 31 HA ARG 31 27.868 6.199 2.697 246 HB2 ARG 31 HB2 ARG 31 26.584 7.297 0.210 247 HB3 ARG 31 HB3 ARG 31 28.181 7.831 0.717 248 HG2 ARG 31 HG2 ARG 31 28.893 5.433 0.703 249 HG3 ARG 31 HG3 ARG 31 27.336 5.045 -0.030 250 HD2 ARG 31 HD2 ARG 31 29.054 7.161 -1.248 251 HD3 ARG 31 HD3 ARG 31 29.440 5.463 -1.527 252 HE ARG 31 HE ARG 31 26.822 5.574 -2.140 253 HH11 ARG 31 HH11 ARG 31 29.553 7.505 -3.107 254 HH12 ARG 31 HH12 ARG 31 28.898 7.886 -4.665 255 HH21 ARG 31 HH21 ARG 31 25.949 6.068 -4.189 256 HH22 ARG 31 HH22 ARG 31 26.847 7.069 -5.279 Start of MODEL 16 1 H1 SER 1 H SER 1 7.927 -10.547 0.392 2 HA SER 1 HA SER 1 6.086 -11.671 1.659 3 HB2 SER 1 HB2 SER 1 7.886 -9.610 2.755 4 HB3 SER 1 HB3 SER 1 6.501 -9.998 3.776 5 HG SER 1 HG SER 1 8.716 -11.500 3.170 6 H TRP 2 H TRP 2 5.873 -8.139 1.398 7 HA TRP 2 HA TRP 2 3.093 -8.238 2.303 8 HB2 TRP 2 HB2 TRP 2 5.207 -6.191 2.242 9 HB3 TRP 2 HB3 TRP 2 3.605 -5.597 1.814 10 HD1 TRP 2 HD1 TRP 2 5.708 -6.004 4.734 11 HE1 TRP 2 HE1 TRP 2 4.328 -6.000 6.907 12 HE3 TRP 2 HE3 TRP 2 1.053 -6.713 2.742 13 HZ2 TRP 2 HZ2 TRP 2 1.625 -6.264 7.675 14 HZ3 TRP 2 HZ3 TRP 2 -0.877 -6.826 4.264 15 HH2 TRP 2 HH2 TRP 2 -0.595 -6.606 6.679 16 H LEU 3 H LEU 3 5.034 -7.149 -0.458 17 HA LEU 3 HA LEU 3 2.836 -7.678 -2.249 18 HB2 LEU 3 HB2 LEU 3 2.475 -5.530 -3.064 19 HB3 LEU 3 HB3 LEU 3 2.524 -5.323 -1.315 20 HG LEU 3 HG LEU 3 4.835 -4.734 -3.161 21 HD11 LEU 3 HD11 LEU 3 3.502 -2.500 -1.833 22 HD12 LEU 3 HD12 LEU 3 2.507 -3.310 -3.043 23 HD13 LEU 3 HD13 LEU 3 4.082 -2.656 -3.492 24 HD21 LEU 3 HD21 LEU 3 5.259 -3.297 -0.929 25 HD22 LEU 3 HD22 LEU 3 5.898 -4.922 -1.179 26 HD23 LEU 3 HD23 LEU 3 4.423 -4.689 -0.241 27 H SER 4 H SER 4 3.475 -7.882 -4.401 28 HA SER 4 HA SER 4 6.383 -7.715 -4.861 29 HB2 SER 4 HB2 SER 4 5.579 -9.603 -6.651 30 HB3 SER 4 HB3 SER 4 6.211 -9.969 -5.045 31 HG SER 4 HG SER 4 4.087 -10.913 -5.723 32 H LYS 5 H LYS 5 6.063 -5.586 -5.708 33 HA LYS 5 HA LYS 5 4.335 -4.796 -7.696 34 HB2 LYS 5 HB2 LYS 5 6.185 -3.183 -8.366 35 HB3 LYS 5 HB3 LYS 5 5.673 -3.133 -6.684 36 HG2 LYS 5 HG2 LYS 5 8.023 -3.006 -6.666 37 HG3 LYS 5 HG3 LYS 5 7.617 -4.650 -6.168 38 HD2 LYS 5 HD2 LYS 5 8.317 -5.567 -8.181 39 HD3 LYS 5 HD3 LYS 5 8.157 -4.038 -9.048 40 HE2 LYS 5 HE2 LYS 5 10.046 -3.650 -6.977 41 HE3 LYS 5 HE3 LYS 5 10.461 -5.158 -7.791 42 HZ1 LYS 5 HZ1 LYS 5 9.912 -2.659 -9.280 43 HZ2 LYS 5 HZ2 LYS 5 10.672 -4.063 -9.839 44 HZ3 LYS 5 HZ3 LYS 5 11.461 -3.059 -8.730 45 H THR 6 H THR 6 4.916 -4.275 -10.007 46 HA THR 6 HA THR 6 6.864 -5.752 -11.407 47 HB THR 6 HB THR 6 5.414 -7.664 -10.760 48 HG1 THR 6 HG1 THR 6 6.612 -7.631 -12.771 49 HG21 THR 6 HG21 THR 6 3.199 -7.894 -11.522 50 HG22 THR 6 HG22 THR 6 3.349 -6.530 -12.630 51 HG23 THR 6 HG23 THR 6 3.287 -6.250 -10.890 52 H ALA 7 H ALA 7 6.356 -5.784 -13.832 53 HA ALA 7 HA ALA 7 4.561 -3.597 -14.602 54 HB1 ALA 7 HB1 ALA 7 6.232 -2.526 -15.952 55 HB2 ALA 7 HB2 ALA 7 6.851 -2.681 -14.307 56 HB3 ALA 7 HB3 ALA 7 7.410 -3.781 -15.567 57 H LYS 8 H LYS 8 4.769 -6.627 -14.878 58 HA LYS 8 HA LYS 8 5.318 -7.391 -17.486 59 HB2 LYS 8 HB2 LYS 8 3.234 -8.447 -15.570 60 HB3 LYS 8 HB3 LYS 8 3.673 -9.241 -17.077 61 HG2 LYS 8 HG2 LYS 8 6.066 -8.737 -15.660 62 HG3 LYS 8 HG3 LYS 8 4.910 -9.439 -14.526 63 HD2 LYS 8 HD2 LYS 8 5.418 -10.619 -17.245 64 HD3 LYS 8 HD3 LYS 8 6.376 -11.061 -15.830 65 HE2 LYS 8 HE2 LYS 8 4.050 -11.485 -14.735 66 HE3 LYS 8 HE3 LYS 8 3.484 -11.568 -16.403 67 HZ1 LYS 8 HZ1 LYS 8 4.188 -13.726 -15.305 68 HZ2 LYS 8 HZ2 LYS 8 5.779 -13.175 -15.458 69 HZ3 LYS 8 HZ3 LYS 8 4.829 -13.409 -16.838 70 H LYS 9 H LYS 9 2.665 -5.566 -16.233 71 HA LYS 9 HA LYS 9 1.794 -4.689 -18.738 72 HB2 LYS 9 HB2 LYS 9 -0.477 -5.837 -18.727 73 HB3 LYS 9 HB3 LYS 9 0.895 -6.820 -19.219 74 HG2 LYS 9 HG2 LYS 9 0.675 -8.221 -17.485 75 HG3 LYS 9 HG3 LYS 9 0.288 -6.922 -16.353 76 HD2 LYS 9 HD2 LYS 9 -1.694 -7.772 -18.432 77 HD3 LYS 9 HD3 LYS 9 -1.527 -8.680 -16.927 78 HE2 LYS 9 HE2 LYS 9 -1.803 -6.435 -15.746 79 HE3 LYS 9 HE3 LYS 9 -2.342 -5.812 -17.305 80 HZ1 LYS 9 HZ1 LYS 9 -4.348 -6.519 -16.706 81 HZ2 LYS 9 HZ2 LYS 9 -3.749 -7.425 -15.409 82 HZ3 LYS 9 HZ3 LYS 9 -3.790 -8.096 -16.961 83 H LEU 10 H LEU 10 2.360 -3.531 -16.268 84 HA LEU 10 HA LEU 10 -0.022 -1.980 -15.874 85 HB2 LEU 10 HB2 LEU 10 0.049 -2.377 -13.352 86 HB3 LEU 10 HB3 LEU 10 -0.706 -3.609 -14.362 87 HG LEU 10 HG LEU 10 2.072 -4.229 -13.974 88 HD11 LEU 10 HD11 LEU 10 2.387 -4.199 -11.733 89 HD12 LEU 10 HD12 LEU 10 0.671 -4.389 -11.375 90 HD13 LEU 10 HD13 LEU 10 1.303 -2.812 -11.847 91 HD21 LEU 10 HD21 LEU 10 1.253 -6.322 -13.760 92 HD22 LEU 10 HD22 LEU 10 -0.208 -5.582 -14.417 93 HD23 LEU 10 HD23 LEU 10 -0.046 -5.821 -12.677 94 H GLU 11 H GLU 11 2.091 -0.905 -16.863 95 HA GLU 11 HA GLU 11 2.878 1.098 -15.087 96 HB2 GLU 11 HB2 GLU 11 4.436 -1.310 -14.870 97 HB3 GLU 11 HB3 GLU 11 5.445 -0.007 -15.483 98 HG2 GLU 11 HG2 GLU 11 4.280 1.311 -13.497 99 HG3 GLU 11 HG3 GLU 11 4.142 -0.321 -12.845 100 H ASN 12 H ASN 12 2.545 2.492 -16.753 101 HA ASN 12 HA ASN 12 4.146 2.133 -19.190 102 HB2 ASN 12 HB2 ASN 12 1.474 2.701 -18.925 103 HB3 ASN 12 HB3 ASN 12 2.165 4.303 -19.169 104 HD21 ASN 12 HD21 ASN 12 1.624 1.170 -20.556 105 HD22 ASN 12 HD22 ASN 12 2.024 1.595 -22.182 106 H SER 13 H SER 13 3.666 4.172 -16.432 107 HA SER 13 HA SER 13 6.086 5.612 -16.993 108 HB2 SER 13 HB2 SER 13 3.762 6.732 -18.024 109 HB3 SER 13 HB3 SER 13 4.007 7.597 -16.507 110 HG SER 13 HG SER 13 6.079 8.147 -17.206 111 H ALA 14 H ALA 14 4.751 3.911 -14.925 112 HA ALA 14 HA ALA 14 4.683 5.745 -12.641 113 HB1 ALA 14 HB1 ALA 14 4.202 2.977 -11.978 114 HB2 ALA 14 HB2 ALA 14 3.159 4.384 -11.765 115 HB3 ALA 14 HB3 ALA 14 3.160 3.510 -13.297 116 H LYS 15 H LYS 15 7.061 4.450 -14.240 117 HA LYS 15 HA LYS 15 8.530 3.521 -11.859 118 HB2 LYS 15 HB2 LYS 15 10.093 2.538 -13.712 119 HB3 LYS 15 HB3 LYS 15 8.615 1.693 -13.272 120 HG2 LYS 15 HG2 LYS 15 8.678 1.657 -15.611 121 HG3 LYS 15 HG3 LYS 15 7.514 2.918 -15.202 122 HD2 LYS 15 HD2 LYS 15 10.016 4.183 -15.314 123 HD3 LYS 15 HD3 LYS 15 9.954 3.107 -16.712 124 HE2 LYS 15 HE2 LYS 15 7.607 4.099 -17.094 125 HE3 LYS 15 HE3 LYS 15 8.125 5.372 -15.990 126 HZ1 LYS 15 HZ1 LYS 15 10.195 5.199 -17.714 127 HZ2 LYS 15 HZ2 LYS 15 8.940 6.327 -17.819 128 HZ3 LYS 15 HZ3 LYS 15 8.874 4.903 -18.729 129 H LYS 16 H LYS 16 8.259 5.958 -14.190 130 HA LYS 16 HA LYS 16 11.036 6.828 -13.851 131 HB2 LYS 16 HB2 LYS 16 9.015 7.138 -15.926 132 HB3 LYS 16 HB3 LYS 16 9.770 8.668 -15.500 133 HG2 LYS 16 HG2 LYS 16 11.259 6.175 -16.296 134 HG3 LYS 16 HG3 LYS 16 10.890 7.527 -17.369 135 HD2 LYS 16 HD2 LYS 16 12.431 8.899 -16.395 136 HD3 LYS 16 HD3 LYS 16 12.267 8.138 -14.810 137 HE2 LYS 16 HE2 LYS 16 14.407 7.530 -15.554 138 HE3 LYS 16 HE3 LYS 16 13.405 6.110 -15.851 139 HZ1 LYS 16 HZ1 LYS 16 14.434 6.265 -17.848 140 HZ2 LYS 16 HZ2 LYS 16 14.647 7.940 -17.757 141 HZ3 LYS 16 HZ3 LYS 16 13.137 7.302 -18.174 142 H ARG 17 H ARG 17 7.837 7.505 -12.800 143 HA ARG 17 HA ARG 17 8.461 10.200 -11.920 144 HB2 ARG 17 HB2 ARG 17 6.183 10.385 -11.302 145 HB3 ARG 17 HB3 ARG 17 6.197 9.483 -12.812 146 HG2 ARG 17 HG2 ARG 17 6.175 7.397 -11.271 147 HG3 ARG 17 HG3 ARG 17 5.600 8.532 -10.048 148 HD2 ARG 17 HD2 ARG 17 4.321 7.812 -12.672 149 HD3 ARG 17 HD3 ARG 17 3.671 7.596 -11.047 150 HE ARG 17 HE ARG 17 4.092 10.314 -11.392 151 HH11 ARG 17 HH11 ARG 17 2.148 7.801 -12.815 152 HH12 ARG 17 HH12 ARG 17 0.860 8.870 -13.263 153 HH21 ARG 17 HH21 ARG 17 2.404 11.732 -11.978 154 HH22 ARG 17 HH22 ARG 17 1.008 11.107 -12.788 155 H ILE 18 H ILE 18 8.465 6.988 -10.671 156 HA ILE 18 HA ILE 18 8.485 7.866 -7.897 157 HB ILE 18 HB ILE 18 8.497 5.558 -7.285 158 HG12 ILE 18 HG12 ILE 18 9.044 4.983 -10.205 159 HG13 ILE 18 HG13 ILE 18 10.161 4.739 -8.867 160 HG21 ILE 18 HG21 ILE 18 6.716 5.927 -9.690 161 HG22 ILE 18 HG22 ILE 18 6.495 4.735 -8.410 162 HG23 ILE 18 HG23 ILE 18 6.356 6.455 -8.047 163 HD11 ILE 18 HD11 ILE 18 8.426 3.132 -7.933 164 HD12 ILE 18 HD12 ILE 18 7.673 3.210 -9.526 165 HD13 ILE 18 HD13 ILE 18 9.326 2.618 -9.360 166 H SER 19 H SER 19 10.696 6.833 -10.381 167 HA SER 19 HA SER 19 12.902 6.191 -8.745 168 HB2 SER 19 HB2 SER 19 13.615 5.527 -10.764 169 HB3 SER 19 HB3 SER 19 12.367 6.479 -11.567 170 HG SER 19 HG SER 19 15.023 7.013 -11.231 171 H GLU 20 H GLU 20 11.410 9.152 -9.407 172 HA GLU 20 HA GLU 20 13.777 10.783 -9.089 173 HB2 GLU 20 HB2 GLU 20 11.343 11.204 -10.277 174 HB3 GLU 20 HB3 GLU 20 11.165 12.086 -8.767 175 HG2 GLU 20 HG2 GLU 20 13.466 13.106 -9.385 176 HG3 GLU 20 HG3 GLU 20 13.075 12.551 -11.012 177 H GLY 21 H GLY 21 10.847 10.074 -7.200 178 HA2 GLY 21 HA2 GLY 21 11.793 11.578 -4.928 179 HA3 GLY 21 HA3 GLY 21 10.336 10.597 -5.000 180 H ILE 22 H ILE 22 11.726 8.204 -5.895 181 HA ILE 22 HA ILE 22 12.473 7.198 -3.319 182 HB ILE 22 HB ILE 22 12.617 5.868 -6.027 183 HG12 ILE 22 HG12 ILE 22 10.552 5.527 -3.847 184 HG13 ILE 22 HG13 ILE 22 10.339 6.599 -5.227 185 HG21 ILE 22 HG21 ILE 22 12.650 3.766 -4.684 186 HG22 ILE 22 HG22 ILE 22 14.105 4.749 -4.529 187 HG23 ILE 22 HG23 ILE 22 12.897 4.753 -3.244 188 HD11 ILE 22 HD11 ILE 22 10.679 3.612 -5.313 189 HD12 ILE 22 HD12 ILE 22 9.200 4.522 -5.622 190 HD13 ILE 22 HD13 ILE 22 10.568 4.660 -6.726 191 H ALA 23 H ALA 23 14.157 8.541 -5.996 192 HA ALA 23 HA ALA 23 16.688 7.307 -5.519 193 HB1 ALA 23 HB1 ALA 23 17.512 9.258 -6.954 194 HB2 ALA 23 HB2 ALA 23 16.389 8.115 -7.693 195 HB3 ALA 23 HB3 ALA 23 15.808 9.681 -7.128 196 H ILE 24 H ILE 24 15.162 10.327 -4.515 197 HA ILE 24 HA ILE 24 17.545 11.155 -3.068 198 HB ILE 24 HB ILE 24 16.359 13.189 -2.553 199 HG12 ILE 24 HG12 ILE 24 13.968 13.252 -3.803 200 HG13 ILE 24 HG13 ILE 24 14.006 11.559 -3.324 201 HG21 ILE 24 HG21 ILE 24 17.378 13.006 -4.767 202 HG22 ILE 24 HG22 ILE 24 15.864 12.377 -5.414 203 HG23 ILE 24 HG23 ILE 24 15.943 14.030 -4.805 204 HD11 ILE 24 HD11 ILE 24 12.948 13.338 -1.760 205 HD12 ILE 24 HD12 ILE 24 13.953 12.057 -1.082 206 HD13 ILE 24 HD13 ILE 24 14.622 13.672 -1.316 207 H ALA 25 H ALA 25 14.473 9.656 -2.470 208 HA ALA 25 HA ALA 25 14.255 10.173 0.295 209 HB1 ALA 25 HB1 ALA 25 12.357 9.396 -0.979 210 HB2 ALA 25 HB2 ALA 25 13.180 7.877 -1.337 211 HB3 ALA 25 HB3 ALA 25 12.704 8.253 0.319 212 H ILE 26 H ILE 26 16.023 7.775 -1.542 213 HA ILE 26 HA ILE 26 16.824 6.392 0.909 214 HB ILE 26 HB ILE 26 17.492 5.690 -1.950 215 HG12 ILE 26 HG12 ILE 26 15.107 5.522 -1.668 216 HG13 ILE 26 HG13 ILE 26 15.774 3.894 -1.630 217 HG21 ILE 26 HG21 ILE 26 17.700 3.389 -0.588 218 HG22 ILE 26 HG22 ILE 26 19.054 4.490 -0.842 219 HG23 ILE 26 HG23 ILE 26 18.162 4.526 0.678 220 HD11 ILE 26 HD11 ILE 26 15.629 3.897 0.807 221 HD12 ILE 26 HD12 ILE 26 14.945 5.522 0.759 222 HD13 ILE 26 HD13 ILE 26 14.058 4.171 0.054 223 H GLN 27 H GLN 27 18.001 8.627 -1.443 224 HA GLN 27 HA GLN 27 20.750 8.257 -1.273 225 HB2 GLN 27 HB2 GLN 27 19.716 9.772 -2.886 226 HB3 GLN 27 HB3 GLN 27 19.214 10.842 -1.584 227 HG2 GLN 27 HG2 GLN 27 21.351 11.617 -1.212 228 HG3 GLN 27 HG3 GLN 27 22.103 10.196 -1.936 229 HE21 GLN 27 HE21 GLN 27 20.994 13.365 -2.435 230 HE22 GLN 27 HE22 GLN 27 21.301 13.461 -4.132 231 H GLY 28 H GLY 28 18.531 9.565 1.039 232 HA2 GLY 28 HA2 GLY 28 20.790 10.003 2.875 233 HA3 GLY 28 HA3 GLY 28 19.563 11.249 2.698 234 H GLY 29 H GLY 29 18.627 7.917 2.515 235 HA2 GLY 29 HA2 GLY 29 16.690 8.125 4.517 236 HA3 GLY 29 HA3 GLY 29 17.327 6.614 3.885 237 HA PRO 30 HA PRO 30 19.405 5.752 7.641 238 HB2 PRO 30 HB2 PRO 30 21.838 4.846 6.850 239 HB3 PRO 30 HB3 PRO 30 20.350 3.919 6.629 240 HG2 PRO 30 HG2 PRO 30 21.838 5.611 4.658 241 HG3 PRO 30 HG3 PRO 30 21.098 4.016 4.429 242 HD2 PRO 30 HD2 PRO 30 19.906 6.305 3.611 243 HD3 PRO 30 HD3 PRO 30 18.983 4.895 4.169 244 H ARG 31 H ARG 31 20.894 8.001 5.461 245 HA ARG 31 HA ARG 31 22.820 8.905 7.448 246 HB2 ARG 31 HB2 ARG 31 22.319 9.503 4.558 247 HB3 ARG 31 HB3 ARG 31 23.236 10.649 5.527 248 HG2 ARG 31 HG2 ARG 31 25.042 9.306 5.653 249 HG3 ARG 31 HG3 ARG 31 24.076 7.832 5.726 250 HD2 ARG 31 HD2 ARG 31 25.314 7.868 3.660 251 HD3 ARG 31 HD3 ARG 31 23.598 8.073 3.312 252 HE ARG 31 HE ARG 31 24.969 10.568 3.567 253 HH11 ARG 31 HH11 ARG 31 24.279 7.936 1.395 254 HH12 ARG 31 HH12 ARG 31 24.490 8.890 -0.036 255 HH21 ARG 31 HH21 ARG 31 25.249 11.834 1.691 256 HH22 ARG 31 HH22 ARG 31 25.043 11.107 0.134 Start of MODEL 17 1 H1 SER 1 H SER 1 -6.919 -12.390 -11.255 2 HA SER 1 HA SER 1 -5.396 -10.177 -10.889 3 HB2 SER 1 HB2 SER 1 -7.776 -9.124 -9.623 4 HB3 SER 1 HB3 SER 1 -6.673 -8.338 -10.753 5 HG SER 1 HG SER 1 -8.007 -8.745 -12.338 6 H TRP 2 H TRP 2 -4.324 -11.154 -9.289 7 HA TRP 2 HA TRP 2 -5.607 -11.427 -6.716 8 HB2 TRP 2 HB2 TRP 2 -5.315 -13.712 -8.417 9 HB3 TRP 2 HB3 TRP 2 -4.240 -13.894 -7.033 10 HD1 TRP 2 HD1 TRP 2 -7.451 -15.026 -7.936 11 HE1 TRP 2 HE1 TRP 2 -9.030 -15.315 -5.924 12 HE3 TRP 2 HE3 TRP 2 -4.893 -12.247 -4.490 13 HZ2 TRP 2 HZ2 TRP 2 -9.172 -14.476 -3.232 14 HZ3 TRP 2 HZ3 TRP 2 -5.819 -12.040 -2.220 15 HH2 TRP 2 HH2 TRP 2 -7.915 -13.131 -1.606 16 H LEU 3 H LEU 3 -2.702 -12.863 -8.199 17 HA LEU 3 HA LEU 3 -1.091 -11.665 -6.075 18 HB2 LEU 3 HB2 LEU 3 -0.868 -14.012 -7.825 19 HB3 LEU 3 HB3 LEU 3 0.645 -13.153 -7.548 20 HG LEU 3 HG LEU 3 -1.039 -13.921 -5.206 21 HD11 LEU 3 HD11 LEU 3 -0.330 -16.118 -5.155 22 HD12 LEU 3 HD12 LEU 3 0.979 -15.833 -6.301 23 HD13 LEU 3 HD13 LEU 3 -0.691 -15.883 -6.866 24 HD21 LEU 3 HD21 LEU 3 1.394 -14.311 -4.374 25 HD22 LEU 3 HD22 LEU 3 0.781 -12.666 -4.538 26 HD23 LEU 3 HD23 LEU 3 1.837 -13.342 -5.779 27 H SER 4 H SER 4 -0.627 -12.213 -9.572 28 HA SER 4 HA SER 4 0.128 -9.431 -9.930 29 HB2 SER 4 HB2 SER 4 2.092 -11.396 -11.011 30 HB3 SER 4 HB3 SER 4 2.339 -9.731 -10.486 31 HG SER 4 HG SER 4 2.288 -12.089 -8.986 32 H LYS 5 H LYS 5 -2.012 -11.174 -10.854 33 HA LYS 5 HA LYS 5 -1.680 -12.111 -13.451 34 HB2 LYS 5 HB2 LYS 5 -3.832 -11.699 -11.661 35 HB3 LYS 5 HB3 LYS 5 -4.280 -10.925 -13.175 36 HG2 LYS 5 HG2 LYS 5 -5.015 -12.966 -13.725 37 HG3 LYS 5 HG3 LYS 5 -3.316 -13.284 -14.083 38 HD2 LYS 5 HD2 LYS 5 -3.053 -14.091 -11.732 39 HD3 LYS 5 HD3 LYS 5 -4.800 -13.929 -11.537 40 HE2 LYS 5 HE2 LYS 5 -4.829 -16.077 -12.204 41 HE3 LYS 5 HE3 LYS 5 -4.676 -15.383 -13.817 42 HZ1 LYS 5 HZ1 LYS 5 -3.060 -17.234 -13.066 43 HZ2 LYS 5 HZ2 LYS 5 -2.259 -15.986 -12.252 44 HZ3 LYS 5 HZ3 LYS 5 -2.455 -15.911 -13.930 45 H THR 6 H THR 6 -2.230 -8.856 -12.268 46 HA THR 6 HA THR 6 -1.483 -7.795 -14.867 47 HB THR 6 HB THR 6 -3.940 -7.972 -15.018 48 HG1 THR 6 HG1 THR 6 -3.383 -5.225 -14.712 49 HG21 THR 6 HG21 THR 6 -5.405 -6.803 -13.568 50 HG22 THR 6 HG22 THR 6 -4.073 -5.944 -12.795 51 HG23 THR 6 HG23 THR 6 -4.284 -7.673 -12.521 52 H ALA 7 H ALA 7 -0.292 -7.857 -12.217 53 HA ALA 7 HA ALA 7 -0.032 -4.957 -11.812 54 HB1 ALA 7 HB1 ALA 7 -0.484 -5.015 -9.609 55 HB2 ALA 7 HB2 ALA 7 -1.370 -6.483 -10.026 56 HB3 ALA 7 HB3 ALA 7 0.270 -6.594 -9.388 57 H LYS 8 H LYS 8 1.537 -7.207 -13.134 58 HA LYS 8 HA LYS 8 3.840 -7.837 -11.724 59 HB2 LYS 8 HB2 LYS 8 3.190 -8.769 -13.944 60 HB3 LYS 8 HB3 LYS 8 3.667 -7.247 -14.685 61 HG2 LYS 8 HG2 LYS 8 5.766 -7.927 -14.809 62 HG3 LYS 8 HG3 LYS 8 5.813 -8.203 -13.066 63 HD2 LYS 8 HD2 LYS 8 5.157 -10.438 -13.286 64 HD3 LYS 8 HD3 LYS 8 4.552 -10.193 -14.926 65 HE2 LYS 8 HE2 LYS 8 7.449 -9.766 -14.325 66 HE3 LYS 8 HE3 LYS 8 6.831 -11.403 -14.534 67 HZ1 LYS 8 HZ1 LYS 8 7.405 -10.890 -16.664 68 HZ2 LYS 8 HZ2 LYS 8 7.065 -9.242 -16.498 69 HZ3 LYS 8 HZ3 LYS 8 5.801 -10.351 -16.678 70 H LYS 9 H LYS 9 2.866 -4.831 -13.130 71 HA LYS 9 HA LYS 9 4.795 -3.323 -11.784 72 HB2 LYS 9 HB2 LYS 9 5.994 -4.578 -13.879 73 HB3 LYS 9 HB3 LYS 9 5.489 -3.076 -14.641 74 HG2 LYS 9 HG2 LYS 9 6.982 -3.062 -12.046 75 HG3 LYS 9 HG3 LYS 9 7.826 -3.197 -13.591 76 HD2 LYS 9 HD2 LYS 9 6.661 -1.115 -14.325 77 HD3 LYS 9 HD3 LYS 9 6.016 -0.959 -12.690 78 HE2 LYS 9 HE2 LYS 9 7.861 0.250 -12.292 79 HE3 LYS 9 HE3 LYS 9 8.677 -1.311 -12.210 80 HZ1 LYS 9 HZ1 LYS 9 9.432 0.654 -13.827 81 HZ2 LYS 9 HZ2 LYS 9 8.382 -0.171 -14.865 82 HZ3 LYS 9 HZ3 LYS 9 9.696 -0.981 -14.173 83 H LEU 10 H LEU 10 2.044 -3.182 -12.214 84 HA LEU 10 HA LEU 10 1.222 -1.421 -14.225 85 HB2 LEU 10 HB2 LEU 10 -0.790 -1.219 -13.063 86 HB3 LEU 10 HB3 LEU 10 -0.197 -2.826 -12.651 87 HG LEU 10 HG LEU 10 0.108 -0.414 -10.869 88 HD11 LEU 10 HD11 LEU 10 -2.208 -0.750 -10.968 89 HD12 LEU 10 HD12 LEU 10 -1.689 -1.625 -9.529 90 HD13 LEU 10 HD13 LEU 10 -2.040 -2.505 -11.016 91 HD21 LEU 10 HD21 LEU 10 1.687 -1.869 -10.098 92 HD22 LEU 10 HD22 LEU 10 0.828 -3.292 -10.688 93 HD23 LEU 10 HD23 LEU 10 0.279 -2.474 -9.224 94 H GLU 11 H GLU 11 2.895 -0.857 -11.246 95 HA GLU 11 HA GLU 11 2.292 1.773 -10.678 96 HB2 GLU 11 HB2 GLU 11 4.016 -0.005 -9.639 97 HB3 GLU 11 HB3 GLU 11 5.155 1.009 -10.512 98 HG2 GLU 11 HG2 GLU 11 5.136 2.432 -8.826 99 HG3 GLU 11 HG3 GLU 11 3.432 2.753 -9.142 100 H ASN 12 H ASN 12 2.089 3.275 -12.234 101 HA ASN 12 HA ASN 12 4.377 3.679 -14.047 102 HB2 ASN 12 HB2 ASN 12 2.517 4.924 -15.431 103 HB3 ASN 12 HB3 ASN 12 2.673 3.172 -15.525 104 HD21 ASN 12 HD21 ASN 12 0.685 2.430 -15.781 105 HD22 ASN 12 HD22 ASN 12 -0.673 2.825 -14.788 106 H SER 13 H SER 13 5.283 5.669 -14.170 107 HA SER 13 HA SER 13 5.771 7.837 -13.675 108 HB2 SER 13 HB2 SER 13 3.212 8.000 -14.353 109 HB3 SER 13 HB3 SER 13 3.021 8.378 -12.641 110 HG SER 13 HG SER 13 4.320 9.816 -14.656 111 H ALA 14 H ALA 14 5.301 5.536 -11.570 112 HA ALA 14 HA ALA 14 5.285 7.171 -9.144 113 HB1 ALA 14 HB1 ALA 14 5.607 4.457 -8.477 114 HB2 ALA 14 HB2 ALA 14 4.158 5.450 -8.314 115 HB3 ALA 14 HB3 ALA 14 4.428 4.518 -9.787 116 H LYS 15 H LYS 15 7.478 5.794 -11.299 117 HA LYS 15 HA LYS 15 9.571 5.331 -9.341 118 HB2 LYS 15 HB2 LYS 15 10.949 4.751 -11.324 119 HB3 LYS 15 HB3 LYS 15 9.468 3.810 -11.212 120 HG2 LYS 15 HG2 LYS 15 9.311 4.329 -13.393 121 HG3 LYS 15 HG3 LYS 15 8.605 5.820 -12.765 122 HD2 LYS 15 HD2 LYS 15 11.455 6.062 -12.787 123 HD3 LYS 15 HD3 LYS 15 10.905 5.523 -14.376 124 HE2 LYS 15 HE2 LYS 15 9.196 7.601 -13.329 125 HE3 LYS 15 HE3 LYS 15 10.878 8.126 -13.366 126 HZ1 LYS 15 HZ1 LYS 15 9.110 8.019 -15.487 127 HZ2 LYS 15 HZ2 LYS 15 10.219 6.772 -15.761 128 HZ3 LYS 15 HZ3 LYS 15 10.766 8.359 -15.553 129 H LYS 16 H LYS 16 8.379 7.911 -11.198 130 HA LYS 16 HA LYS 16 10.879 9.342 -11.405 131 HB2 LYS 16 HB2 LYS 16 8.725 9.470 -12.925 132 HB3 LYS 16 HB3 LYS 16 8.223 10.672 -11.743 133 HG2 LYS 16 HG2 LYS 16 9.366 12.171 -12.902 134 HG3 LYS 16 HG3 LYS 16 10.845 11.353 -12.394 135 HD2 LYS 16 HD2 LYS 16 10.786 11.603 -14.816 136 HD3 LYS 16 HD3 LYS 16 10.709 9.898 -14.364 137 HE2 LYS 16 HE2 LYS 16 8.435 9.745 -14.894 138 HE3 LYS 16 HE3 LYS 16 8.220 11.494 -14.873 139 HZ1 LYS 16 HZ1 LYS 16 8.677 11.580 -17.023 140 HZ2 LYS 16 HZ2 LYS 16 8.738 9.890 -17.068 141 HZ3 LYS 16 HZ3 LYS 16 10.152 10.781 -16.806 142 H ARG 17 H ARG 17 8.037 9.356 -9.332 143 HA ARG 17 HA ARG 17 8.682 11.731 -7.920 144 HB2 ARG 17 HB2 ARG 17 6.943 11.122 -6.403 145 HB3 ARG 17 HB3 ARG 17 6.417 10.645 -8.012 146 HG2 ARG 17 HG2 ARG 17 7.556 8.354 -7.242 147 HG3 ARG 17 HG3 ARG 17 7.085 8.988 -5.663 148 HD2 ARG 17 HD2 ARG 17 5.194 8.806 -7.998 149 HD3 ARG 17 HD3 ARG 17 5.390 7.513 -6.815 150 HE ARG 17 HE ARG 17 4.871 9.885 -5.434 151 HH11 ARG 17 HH11 ARG 17 3.275 7.698 -7.623 152 HH12 ARG 17 HH12 ARG 17 1.690 8.035 -7.010 153 HH21 ARG 17 HH21 ARG 17 2.789 10.336 -4.619 154 HH22 ARG 17 HH22 ARG 17 1.414 9.536 -5.302 155 H ILE 18 H ILE 18 9.608 8.384 -7.582 156 HA ILE 18 HA ILE 18 10.782 8.776 -4.966 157 HB ILE 18 HB ILE 18 11.402 6.472 -5.033 158 HG12 ILE 18 HG12 ILE 18 10.684 6.561 -7.971 159 HG13 ILE 18 HG13 ILE 18 12.298 6.367 -7.297 160 HG21 ILE 18 HG21 ILE 18 9.243 5.388 -5.497 161 HG22 ILE 18 HG22 ILE 18 9.057 6.891 -4.595 162 HG23 ILE 18 HG23 ILE 18 8.703 6.850 -6.322 163 HD11 ILE 18 HD11 ILE 18 11.016 4.296 -6.133 164 HD12 ILE 18 HD12 ILE 18 10.157 4.404 -7.669 165 HD13 ILE 18 HD13 ILE 18 11.907 4.194 -7.651 166 H SER 19 H SER 19 11.772 8.874 -8.283 167 HA SER 19 HA SER 19 14.537 8.446 -7.947 168 HB2 SER 19 HB2 SER 19 14.787 9.225 -10.166 169 HB3 SER 19 HB3 SER 19 13.183 8.493 -10.129 170 HG SER 19 HG SER 19 12.309 10.387 -10.449 171 H GLU 20 H GLU 20 12.550 11.017 -6.997 172 HA GLU 20 HA GLU 20 14.622 13.041 -7.095 173 HB2 GLU 20 HB2 GLU 20 11.880 13.153 -7.135 174 HB3 GLU 20 HB3 GLU 20 12.241 13.608 -5.476 175 HG2 GLU 20 HG2 GLU 20 14.040 15.065 -7.012 176 HG3 GLU 20 HG3 GLU 20 12.524 15.128 -7.909 177 H GLY 21 H GLY 21 12.928 11.117 -4.650 178 HA2 GLY 21 HA2 GLY 21 14.465 12.280 -2.490 179 HA3 GLY 21 HA3 GLY 21 13.277 10.992 -2.353 180 H ILE 22 H ILE 22 14.475 9.292 -4.351 181 HA ILE 22 HA ILE 22 16.401 7.987 -2.681 182 HB ILE 22 HB ILE 22 14.719 6.849 -4.226 183 HG12 ILE 22 HG12 ILE 22 17.629 6.030 -4.370 184 HG13 ILE 22 HG13 ILE 22 16.513 5.642 -3.065 185 HG21 ILE 22 HG21 ILE 22 15.474 8.320 -6.186 186 HG22 ILE 22 HG22 ILE 22 16.825 7.197 -6.331 187 HG23 ILE 22 HG23 ILE 22 15.171 6.612 -6.505 188 HD11 ILE 22 HD11 ILE 22 16.456 4.648 -5.896 189 HD12 ILE 22 HD12 ILE 22 16.697 3.718 -4.417 190 HD13 ILE 22 HD13 ILE 22 15.122 4.429 -4.765 191 H ALA 23 H ALA 23 16.552 10.269 -5.239 192 HA ALA 23 HA ALA 23 19.161 9.649 -6.198 193 HB1 ALA 23 HB1 ALA 23 17.855 10.885 -7.682 194 HB2 ALA 23 HB2 ALA 23 17.371 12.042 -6.442 195 HB3 ALA 23 HB3 ALA 23 19.019 12.060 -7.069 196 H ILE 24 H ILE 24 17.897 11.807 -3.710 197 HA ILE 24 HA ILE 24 20.551 12.833 -3.113 198 HB ILE 24 HB ILE 24 19.480 14.265 -1.494 199 HG12 ILE 24 HG12 ILE 24 16.947 12.731 -2.116 200 HG13 ILE 24 HG13 ILE 24 17.853 12.653 -0.609 201 HG21 ILE 24 HG21 ILE 24 18.643 15.676 -3.030 202 HG22 ILE 24 HG22 ILE 24 19.137 14.430 -4.175 203 HG23 ILE 24 HG23 ILE 24 17.466 14.502 -3.617 204 HD11 ILE 24 HD11 ILE 24 16.405 14.195 0.094 205 HD12 ILE 24 HD12 ILE 24 17.384 15.325 -0.842 206 HD13 ILE 24 HD13 ILE 24 15.924 14.630 -1.546 207 H ALA 25 H ALA 25 18.302 10.470 -1.925 208 HA ALA 25 HA ALA 25 19.405 10.173 0.678 209 HB1 ALA 25 HB1 ALA 25 17.397 8.815 -0.962 210 HB2 ALA 25 HB2 ALA 25 18.254 7.758 0.160 211 HB3 ALA 25 HB3 ALA 25 17.399 9.178 0.764 212 H ILE 26 H ILE 26 20.054 8.685 -2.444 213 HA ILE 26 HA ILE 26 21.979 6.839 -1.288 214 HB ILE 26 HB ILE 26 21.218 7.304 -4.174 215 HG12 ILE 26 HG12 ILE 26 19.351 6.393 -2.953 216 HG13 ILE 26 HG13 ILE 26 20.064 5.098 -3.908 217 HG21 ILE 26 HG21 ILE 26 22.289 4.882 -4.223 218 HG22 ILE 26 HG22 ILE 26 23.264 6.337 -4.427 219 HG23 ILE 26 HG23 ILE 26 23.201 5.531 -2.860 220 HD11 ILE 26 HD11 ILE 26 21.214 4.273 -1.917 221 HD12 ILE 26 HD12 ILE 26 20.479 5.564 -0.965 222 HD13 ILE 26 HD13 ILE 26 19.465 4.320 -1.696 223 H GLN 27 H GLN 27 21.912 9.913 -2.875 224 HA GLN 27 HA GLN 27 24.511 10.021 -3.905 225 HB2 GLN 27 HB2 GLN 27 22.891 11.702 -4.498 226 HB3 GLN 27 HB3 GLN 27 22.736 12.211 -2.822 227 HG2 GLN 27 HG2 GLN 27 25.046 13.001 -2.846 228 HG3 GLN 27 HG3 GLN 27 25.201 12.492 -4.527 229 HE21 GLN 27 HE21 GLN 27 25.258 14.232 -5.751 230 HE22 GLN 27 HE22 GLN 27 24.207 15.597 -5.629 231 H GLY 28 H GLY 28 23.363 10.121 -0.659 232 HA2 GLY 28 HA2 GLY 28 26.122 10.635 0.252 233 HA3 GLY 28 HA3 GLY 28 24.758 11.423 1.032 234 H GLY 29 H GLY 29 24.358 8.179 -0.093 235 HA2 GLY 29 HA2 GLY 29 23.757 7.256 2.546 236 HA3 GLY 29 HA3 GLY 29 23.794 6.279 1.086 237 HA PRO 30 HA PRO 30 27.579 4.422 2.265 238 HB2 PRO 30 HB2 PRO 30 29.011 4.360 -0.040 239 HB3 PRO 30 HB3 PRO 30 27.601 3.333 0.242 240 HG2 PRO 30 HG2 PRO 30 27.800 5.901 -1.285 241 HG3 PRO 30 HG3 PRO 30 26.934 4.412 -1.707 242 HD2 PRO 30 HD2 PRO 30 25.687 6.577 -0.663 243 HD3 PRO 30 HD3 PRO 30 25.146 4.916 -0.343 244 H ARG 31 H ARG 31 27.721 7.565 0.793 245 HA ARG 31 HA ARG 31 29.145 9.323 1.022 246 HB2 ARG 31 HB2 ARG 31 30.282 7.852 3.400 247 HB3 ARG 31 HB3 ARG 31 30.300 9.585 3.103 248 HG2 ARG 31 HG2 ARG 31 27.798 9.540 3.246 249 HG3 ARG 31 HG3 ARG 31 27.931 7.865 3.784 250 HD2 ARG 31 HD2 ARG 31 27.799 9.092 5.767 251 HD3 ARG 31 HD3 ARG 31 29.521 8.765 5.577 252 HE ARG 31 HE ARG 31 29.879 11.012 5.390 253 HH11 ARG 31 HH11 ARG 31 26.510 10.358 4.802 254 HH12 ARG 31 HH12 ARG 31 26.063 12.031 4.732 255 HH21 ARG 31 HH21 ARG 31 29.303 13.217 5.300 256 HH22 ARG 31 HH22 ARG 31 27.653 13.656 5.014 Start of MODEL 18 1 H1 SER 1 H SER 1 9.578 -11.975 -5.830 2 HA SER 1 HA SER 1 7.456 -12.539 -6.484 3 HB2 SER 1 HB2 SER 1 8.358 -14.284 -4.587 4 HB3 SER 1 HB3 SER 1 6.816 -13.787 -3.890 5 HG SER 1 HG SER 1 6.082 -15.269 -5.207 6 H TRP 2 H TRP 2 7.306 -11.608 -3.045 7 HA TRP 2 HA TRP 2 4.636 -10.777 -3.046 8 HB2 TRP 2 HB2 TRP 2 6.930 -9.789 -1.337 9 HB3 TRP 2 HB3 TRP 2 5.223 -9.519 -0.998 10 HD1 TRP 2 HD1 TRP 2 4.119 -12.440 -1.537 11 HE1 TRP 2 HE1 TRP 2 4.703 -14.344 0.092 12 HE3 TRP 2 HE3 TRP 2 8.307 -10.427 0.595 13 HZ2 TRP 2 HZ2 TRP 2 6.678 -14.917 2.026 14 HZ3 TRP 2 HZ3 TRP 2 9.484 -11.717 2.328 15 HH2 TRP 2 HH2 TRP 2 8.685 -13.915 3.028 16 H LEU 3 H LEU 3 7.558 -9.138 -4.038 17 HA LEU 3 HA LEU 3 7.938 -7.148 -5.069 18 HB2 LEU 3 HB2 LEU 3 5.486 -8.150 -6.082 19 HB3 LEU 3 HB3 LEU 3 5.316 -6.406 -5.894 20 HG LEU 3 HG LEU 3 7.443 -6.182 -7.245 21 HD11 LEU 3 HD11 LEU 3 8.582 -7.988 -7.829 22 HD12 LEU 3 HD12 LEU 3 7.172 -8.630 -8.670 23 HD13 LEU 3 HD13 LEU 3 7.421 -8.995 -6.963 24 HD21 LEU 3 HD21 LEU 3 6.267 -6.106 -9.232 25 HD22 LEU 3 HD22 LEU 3 4.974 -6.019 -8.035 26 HD23 LEU 3 HD23 LEU 3 5.321 -7.545 -8.850 27 H SER 4 H SER 4 6.976 -4.775 -5.232 28 HA SER 4 HA SER 4 5.410 -3.918 -2.992 29 HB2 SER 4 HB2 SER 4 8.378 -3.831 -2.864 30 HB3 SER 4 HB3 SER 4 7.514 -2.402 -2.297 31 HG SER 4 HG SER 4 7.863 -3.949 -0.631 32 H LYS 5 H LYS 5 4.331 -3.113 -4.930 33 HA LYS 5 HA LYS 5 3.951 -1.603 -6.633 34 HB2 LYS 5 HB2 LYS 5 3.809 0.662 -5.792 35 HB3 LYS 5 HB3 LYS 5 3.288 -0.456 -4.539 36 HG2 LYS 5 HG2 LYS 5 6.136 0.363 -4.546 37 HG3 LYS 5 HG3 LYS 5 4.935 1.556 -4.047 38 HD2 LYS 5 HD2 LYS 5 4.337 -0.947 -2.806 39 HD3 LYS 5 HD3 LYS 5 6.037 -0.558 -2.529 40 HE2 LYS 5 HE2 LYS 5 4.145 1.671 -2.178 41 HE3 LYS 5 HE3 LYS 5 3.996 0.360 -1.009 42 HZ1 LYS 5 HZ1 LYS 5 6.702 0.880 -1.266 43 HZ2 LYS 5 HZ2 LYS 5 5.710 1.235 0.057 44 HZ3 LYS 5 HZ3 LYS 5 5.953 2.393 -1.152 45 H THR 6 H THR 6 6.433 -2.736 -7.052 46 HA THR 6 HA THR 6 8.558 -0.912 -7.309 47 HB THR 6 HB THR 6 9.162 -2.651 -9.259 48 HG1 THR 6 HG1 THR 6 8.089 -4.532 -9.057 49 HG21 THR 6 HG21 THR 6 10.234 -4.042 -7.544 50 HG22 THR 6 HG22 THR 6 9.244 -3.272 -6.304 51 HG23 THR 6 HG23 THR 6 10.433 -2.325 -7.198 52 H ALA 7 H ALA 7 6.107 -1.986 -9.647 53 HA ALA 7 HA ALA 7 5.354 -1.079 -11.594 54 HB1 ALA 7 HB1 ALA 7 6.597 1.546 -10.899 55 HB2 ALA 7 HB2 ALA 7 5.049 1.206 -11.673 56 HB3 ALA 7 HB3 ALA 7 5.249 0.930 -9.942 57 H LYS 8 H LYS 8 8.224 -2.046 -11.238 58 HA LYS 8 HA LYS 8 9.996 -0.633 -12.835 59 HB2 LYS 8 HB2 LYS 8 9.698 -3.578 -12.284 60 HB3 LYS 8 HB3 LYS 8 10.987 -2.958 -13.307 61 HG2 LYS 8 HG2 LYS 8 10.593 -1.824 -10.576 62 HG3 LYS 8 HG3 LYS 8 11.413 -3.373 -10.780 63 HD2 LYS 8 HD2 LYS 8 12.607 -1.778 -12.681 64 HD3 LYS 8 HD3 LYS 8 12.352 -0.668 -11.333 65 HE2 LYS 8 HE2 LYS 8 13.512 -2.186 -9.835 66 HE3 LYS 8 HE3 LYS 8 13.704 -3.359 -11.137 67 HZ1 LYS 8 HZ1 LYS 8 15.299 -2.101 -12.161 68 HZ2 LYS 8 HZ2 LYS 8 15.625 -1.734 -10.542 69 HZ3 LYS 8 HZ3 LYS 8 14.757 -0.641 -11.499 70 H LYS 9 H LYS 9 7.235 -2.509 -13.728 71 HA LYS 9 HA LYS 9 7.139 -1.536 -16.344 72 HB2 LYS 9 HB2 LYS 9 7.602 -3.713 -17.554 73 HB3 LYS 9 HB3 LYS 9 9.012 -2.870 -16.925 74 HG2 LYS 9 HG2 LYS 9 8.062 -4.669 -14.933 75 HG3 LYS 9 HG3 LYS 9 8.212 -5.535 -16.464 76 HD2 LYS 9 HD2 LYS 9 10.522 -4.370 -16.614 77 HD3 LYS 9 HD3 LYS 9 10.319 -4.109 -14.881 78 HE2 LYS 9 HE2 LYS 9 10.225 -6.432 -14.448 79 HE3 LYS 9 HE3 LYS 9 10.028 -6.817 -16.157 80 HZ1 LYS 9 HZ1 LYS 9 12.435 -6.282 -14.654 81 HZ2 LYS 9 HZ2 LYS 9 12.364 -5.499 -16.151 82 HZ3 LYS 9 HZ3 LYS 9 12.220 -7.182 -16.070 83 H LEU 10 H LEU 10 5.346 -1.873 -14.239 84 HA LEU 10 HA LEU 10 3.316 -3.503 -15.559 85 HB2 LEU 10 HB2 LEU 10 2.601 -4.298 -13.234 86 HB3 LEU 10 HB3 LEU 10 3.982 -5.084 -13.997 87 HG LEU 10 HG LEU 10 4.895 -2.907 -12.370 88 HD11 LEU 10 HD11 LEU 10 4.215 -3.783 -10.180 89 HD12 LEU 10 HD12 LEU 10 3.123 -4.911 -10.981 90 HD13 LEU 10 HD13 LEU 10 2.844 -3.175 -11.108 91 HD21 LEU 10 HD21 LEU 10 6.086 -4.998 -13.162 92 HD22 LEU 10 HD22 LEU 10 5.217 -5.858 -11.891 93 HD23 LEU 10 HD23 LEU 10 6.327 -4.552 -11.472 94 H GLU 11 H GLU 11 3.037 -1.035 -15.988 95 HA GLU 11 HA GLU 11 0.682 -0.207 -14.741 96 HB2 GLU 11 HB2 GLU 11 3.087 0.519 -13.311 97 HB3 GLU 11 HB3 GLU 11 2.233 1.956 -13.855 98 HG2 GLU 11 HG2 GLU 11 0.588 1.683 -12.376 99 HG3 GLU 11 HG3 GLU 11 0.485 -0.052 -12.669 100 H ASN 12 H ASN 12 0.272 2.242 -15.216 101 HA ASN 12 HA ASN 12 1.165 2.691 -17.971 102 HB2 ASN 12 HB2 ASN 12 -1.155 3.882 -16.435 103 HB3 ASN 12 HB3 ASN 12 -0.768 4.235 -18.116 104 HD21 ASN 12 HD21 ASN 12 -3.221 3.226 -17.296 105 HD22 ASN 12 HD22 ASN 12 -3.407 1.630 -17.931 106 H SER 13 H SER 13 0.154 4.916 -15.384 107 HA SER 13 HA SER 13 2.602 6.476 -15.892 108 HB2 SER 13 HB2 SER 13 0.121 7.846 -14.950 109 HB3 SER 13 HB3 SER 13 1.438 8.468 -15.943 110 HG SER 13 HG SER 13 -0.883 7.574 -16.767 111 H ALA 14 H ALA 14 1.039 4.614 -13.704 112 HA ALA 14 HA ALA 14 1.317 6.117 -11.308 113 HB1 ALA 14 HB1 ALA 14 1.454 3.172 -11.143 114 HB2 ALA 14 HB2 ALA 14 0.435 4.315 -10.266 115 HB3 ALA 14 HB3 ALA 14 0.020 3.849 -11.916 116 H LYS 15 H LYS 15 3.546 4.474 -13.304 117 HA LYS 15 HA LYS 15 5.486 3.942 -11.235 118 HB2 LYS 15 HB2 LYS 15 6.950 3.266 -13.090 119 HB3 LYS 15 HB3 LYS 15 5.376 2.487 -13.190 120 HG2 LYS 15 HG2 LYS 15 5.682 3.099 -15.366 121 HG3 LYS 15 HG3 LYS 15 4.819 4.513 -14.756 122 HD2 LYS 15 HD2 LYS 15 7.519 5.016 -14.241 123 HD3 LYS 15 HD3 LYS 15 7.477 4.318 -15.862 124 HE2 LYS 15 HE2 LYS 15 5.419 6.347 -15.296 125 HE3 LYS 15 HE3 LYS 15 7.079 6.939 -15.318 126 HZ1 LYS 15 HZ1 LYS 15 6.462 5.187 -17.510 127 HZ2 LYS 15 HZ2 LYS 15 7.198 6.710 -17.519 128 HZ3 LYS 15 HZ3 LYS 15 5.511 6.586 -17.495 129 H LYS 16 H LYS 16 4.606 6.598 -13.192 130 HA LYS 16 HA LYS 16 7.184 7.892 -13.136 131 HB2 LYS 16 HB2 LYS 16 4.896 8.169 -14.674 132 HB3 LYS 16 HB3 LYS 16 4.895 9.618 -13.678 133 HG2 LYS 16 HG2 LYS 16 6.767 10.461 -14.653 134 HG3 LYS 16 HG3 LYS 16 7.438 8.866 -15.004 135 HD2 LYS 16 HD2 LYS 16 6.771 10.046 -17.049 136 HD3 LYS 16 HD3 LYS 16 5.834 8.569 -16.811 137 HE2 LYS 16 HE2 LYS 16 3.945 9.808 -16.041 138 HE3 LYS 16 HE3 LYS 16 4.880 11.302 -15.976 139 HZ1 LYS 16 HZ1 LYS 16 4.911 10.097 -18.572 140 HZ2 LYS 16 HZ2 LYS 16 4.521 11.680 -18.124 141 HZ3 LYS 16 HZ3 LYS 16 3.341 10.469 -18.061 142 H ARG 17 H ARG 17 4.097 8.198 -11.437 143 HA ARG 17 HA ARG 17 4.812 10.472 -9.909 144 HB2 ARG 17 HB2 ARG 17 2.814 10.132 -8.719 145 HB3 ARG 17 HB3 ARG 17 2.475 9.525 -10.334 146 HG2 ARG 17 HG2 ARG 17 3.240 7.241 -9.274 147 HG3 ARG 17 HG3 ARG 17 2.776 8.049 -7.775 148 HD2 ARG 17 HD2 ARG 17 1.012 7.756 -10.204 149 HD3 ARG 17 HD3 ARG 17 0.942 6.725 -8.775 150 HE ARG 17 HE ARG 17 0.677 9.416 -8.000 151 HH11 ARG 17 HH11 ARG 17 -1.070 6.901 -9.656 152 HH12 ARG 17 HH12 ARG 17 -2.630 7.522 -9.227 153 HH21 ARG 17 HH21 ARG 17 -1.371 10.244 -7.429 154 HH22 ARG 17 HH22 ARG 17 -2.800 9.424 -7.961 155 H ILE 18 H ILE 18 5.265 7.030 -9.467 156 HA ILE 18 HA ILE 18 6.145 7.300 -6.728 157 HB ILE 18 HB ILE 18 6.638 4.910 -6.839 158 HG12 ILE 18 HG12 ILE 18 5.765 3.832 -9.102 159 HG13 ILE 18 HG13 ILE 18 6.254 5.389 -9.761 160 HG21 ILE 18 HG21 ILE 18 4.363 5.602 -6.342 161 HG22 ILE 18 HG22 ILE 18 3.978 5.630 -8.063 162 HG23 ILE 18 HG23 ILE 18 4.361 4.102 -7.270 163 HD11 ILE 18 HD11 ILE 18 7.863 3.192 -9.403 164 HD12 ILE 18 HD12 ILE 18 8.405 4.846 -9.685 165 HD13 ILE 18 HD13 ILE 18 8.278 4.228 -8.038 166 H SER 19 H SER 19 7.568 7.282 -9.886 167 HA SER 19 HA SER 19 10.202 6.555 -9.195 168 HB2 SER 19 HB2 SER 19 10.328 6.614 -11.432 169 HB3 SER 19 HB3 SER 19 8.816 7.517 -11.529 170 HG SER 19 HG SER 19 11.456 8.495 -11.347 171 H GLU 20 H GLU 20 8.397 9.328 -8.481 172 HA GLU 20 HA GLU 20 10.673 11.113 -8.282 173 HB2 GLU 20 HB2 GLU 20 7.990 11.527 -8.688 174 HB3 GLU 20 HB3 GLU 20 8.173 11.945 -6.990 175 HG2 GLU 20 HG2 GLU 20 10.311 13.188 -8.258 176 HG3 GLU 20 HG3 GLU 20 8.942 13.418 -9.344 177 H GLY 21 H GLY 21 8.491 9.360 -6.118 178 HA2 GLY 21 HA2 GLY 21 9.830 10.368 -3.753 179 HA3 GLY 21 HA3 GLY 21 8.505 9.215 -3.793 180 H ILE 22 H ILE 22 9.788 7.405 -5.647 181 HA ILE 22 HA ILE 22 11.329 5.907 -3.747 182 HB ILE 22 HB ILE 22 9.742 4.935 -5.487 183 HG12 ILE 22 HG12 ILE 22 12.551 3.825 -5.298 184 HG13 ILE 22 HG13 ILE 22 11.259 3.559 -4.134 185 HG21 ILE 22 HG21 ILE 22 10.415 4.657 -7.699 186 HG22 ILE 22 HG22 ILE 22 10.880 6.317 -7.331 187 HG23 ILE 22 HG23 ILE 22 12.097 5.041 -7.335 188 HD11 ILE 22 HD11 ILE 22 10.033 2.667 -6.323 189 HD12 ILE 22 HD12 ILE 22 11.705 2.348 -6.786 190 HD13 ILE 22 HD13 ILE 22 11.050 1.646 -5.307 191 H ALA 23 H ALA 23 12.043 8.165 -6.217 192 HA ALA 23 HA ALA 23 14.665 7.258 -6.868 193 HB1 ALA 23 HB1 ALA 23 14.891 9.678 -7.709 194 HB2 ALA 23 HB2 ALA 23 13.704 8.630 -8.486 195 HB3 ALA 23 HB3 ALA 23 13.182 9.826 -7.300 196 H ILE 24 H ILE 24 13.352 9.562 -4.539 197 HA ILE 24 HA ILE 24 16.011 10.267 -3.598 198 HB ILE 24 HB ILE 24 14.928 11.841 -2.132 199 HG12 ILE 24 HG12 ILE 24 12.232 11.819 -2.701 200 HG13 ILE 24 HG13 ILE 24 12.615 10.104 -2.599 201 HG21 ILE 24 HG21 ILE 24 15.210 12.463 -4.495 202 HG22 ILE 24 HG22 ILE 24 13.580 11.879 -4.829 203 HG23 ILE 24 HG23 ILE 24 13.820 13.259 -3.757 204 HD11 ILE 24 HD11 ILE 24 12.057 11.811 -0.498 205 HD12 ILE 24 HD12 ILE 24 12.735 10.187 -0.389 206 HD13 ILE 24 HD13 ILE 24 13.805 11.588 -0.428 207 H ALA 25 H ALA 25 13.380 8.180 -2.748 208 HA ALA 25 HA ALA 25 14.083 7.786 -0.016 209 HB1 ALA 25 HB1 ALA 25 12.454 6.083 0.015 210 HB2 ALA 25 HB2 ALA 25 11.839 7.310 -1.093 211 HB3 ALA 25 HB3 ALA 25 12.567 5.834 -1.728 212 H ILE 26 H ILE 26 14.965 6.223 -3.039 213 HA ILE 26 HA ILE 26 16.484 4.164 -1.655 214 HB ILE 26 HB ILE 26 16.157 4.689 -4.612 215 HG12 ILE 26 HG12 ILE 26 14.058 4.010 -3.642 216 HG13 ILE 26 HG13 ILE 26 14.731 2.634 -4.508 217 HG21 ILE 26 HG21 ILE 26 18.233 3.558 -4.239 218 HG22 ILE 26 HG22 ILE 26 17.470 2.420 -3.130 219 HG23 ILE 26 HG23 ILE 26 17.069 2.381 -4.847 220 HD11 ILE 26 HD11 ILE 26 13.775 1.943 -2.397 221 HD12 ILE 26 HD12 ILE 26 15.522 1.702 -2.390 222 HD13 ILE 26 HD13 ILE 26 14.817 3.073 -1.533 223 H GLN 27 H GLN 27 16.987 7.208 -3.223 224 HA GLN 27 HA GLN 27 19.680 7.011 -3.927 225 HB2 GLN 27 HB2 GLN 27 18.343 8.887 -4.651 226 HB3 GLN 27 HB3 GLN 27 18.082 9.396 -2.988 227 HG2 GLN 27 HG2 GLN 27 19.713 10.822 -4.013 228 HG3 GLN 27 HG3 GLN 27 20.493 9.842 -2.773 229 HE21 GLN 27 HE21 GLN 27 22.254 8.753 -3.313 230 HE22 GLN 27 HE22 GLN 27 22.812 8.475 -4.924 231 H GLY 28 H GLY 28 18.186 7.216 -0.830 232 HA2 GLY 28 HA2 GLY 28 20.863 7.420 0.399 233 HA3 GLY 28 HA3 GLY 28 19.488 8.294 1.059 234 H GLY 29 H GLY 29 18.868 5.170 -0.242 235 HA2 GLY 29 HA2 GLY 29 17.875 4.190 2.222 236 HA3 GLY 29 HA3 GLY 29 18.113 3.246 0.760 237 HA PRO 30 HA PRO 30 21.526 1.151 2.530 238 HB2 PRO 30 HB2 PRO 30 23.294 0.992 0.476 239 HB3 PRO 30 HB3 PRO 30 21.796 0.055 0.528 240 HG2 PRO 30 HG2 PRO 30 22.390 2.599 -0.935 241 HG3 PRO 30 HG3 PRO 30 21.510 1.165 -1.495 242 HD2 PRO 30 HD2 PRO 30 20.251 3.407 -0.646 243 HD3 PRO 30 HD3 PRO 30 19.565 1.785 -0.424 244 H ARG 31 H ARG 31 22.110 4.264 1.087 245 HA ARG 31 HA ARG 31 23.899 5.042 3.142 246 HB2 ARG 31 HB2 ARG 31 25.906 5.408 1.735 247 HB3 ARG 31 HB3 ARG 31 25.514 3.705 1.938 248 HG2 ARG 31 HG2 ARG 31 24.598 3.586 -0.270 249 HG3 ARG 31 HG3 ARG 31 24.754 5.331 -0.476 250 HD2 ARG 31 HD2 ARG 31 26.624 4.606 -1.587 251 HD3 ARG 31 HD3 ARG 31 27.281 4.850 0.031 252 HE ARG 31 HE ARG 31 27.594 2.584 0.216 253 HH11 ARG 31 HH11 ARG 31 25.546 3.254 -2.519 254 HH12 ARG 31 HH12 ARG 31 25.590 1.628 -3.116 255 HH21 ARG 31 HH21 ARG 31 27.660 0.440 -0.561 256 HH22 ARG 31 HH22 ARG 31 26.792 0.028 -2.001 Start of MODEL 19 1 H1 SER 1 H SER 1 12.349 -9.053 -3.844 2 HA SER 1 HA SER 1 12.280 -8.035 -1.615 3 HB2 SER 1 HB2 SER 1 14.386 -6.427 -2.981 4 HB3 SER 1 HB3 SER 1 14.489 -7.403 -1.515 5 HG SER 1 HG SER 1 15.250 -8.078 -3.935 6 H TRP 2 H TRP 2 11.104 -6.552 -0.620 7 HA TRP 2 HA TRP 2 9.948 -4.641 -0.178 8 HB2 TRP 2 HB2 TRP 2 12.332 -3.402 -1.573 9 HB3 TRP 2 HB3 TRP 2 11.170 -2.526 -0.580 10 HD1 TRP 2 HD1 TRP 2 14.502 -3.619 -0.247 11 HE1 TRP 2 HE1 TRP 2 15.138 -4.218 2.174 12 HE3 TRP 2 HE3 TRP 2 9.812 -4.071 1.736 13 HZ2 TRP 2 HZ2 TRP 2 13.826 -4.805 4.603 14 HZ3 TRP 2 HZ3 TRP 2 9.589 -4.655 4.116 15 HH2 TRP 2 HH2 TRP 2 11.556 -5.014 5.518 16 H LEU 3 H LEU 3 8.341 -5.434 -1.759 17 HA LEU 3 HA LEU 3 6.825 -5.034 -3.406 18 HB2 LEU 3 HB2 LEU 3 7.363 -2.624 -2.438 19 HB3 LEU 3 HB3 LEU 3 8.028 -2.395 -4.054 20 HG LEU 3 HG LEU 3 5.692 -3.257 -4.834 21 HD11 LEU 3 HD11 LEU 3 4.818 -2.023 -2.254 22 HD12 LEU 3 HD12 LEU 3 5.131 -3.755 -2.359 23 HD13 LEU 3 HD13 LEU 3 3.902 -3.017 -3.387 24 HD21 LEU 3 HD21 LEU 3 6.654 -0.610 -4.009 25 HD22 LEU 3 HD22 LEU 3 4.904 -0.741 -4.187 26 HD23 LEU 3 HD23 LEU 3 5.961 -1.143 -5.541 27 H SER 4 H SER 4 7.528 -6.557 -4.866 28 HA SER 4 HA SER 4 9.362 -5.601 -6.966 29 HB2 SER 4 HB2 SER 4 9.039 -8.239 -5.633 30 HB3 SER 4 HB3 SER 4 9.408 -8.257 -7.358 31 HG SER 4 HG SER 4 11.343 -8.217 -6.295 32 H LYS 5 H LYS 5 7.349 -4.584 -7.821 33 HA LYS 5 HA LYS 5 5.600 -6.500 -9.197 34 HB2 LYS 5 HB2 LYS 5 5.160 -3.957 -7.926 35 HB3 LYS 5 HB3 LYS 5 4.673 -3.868 -9.614 36 HG2 LYS 5 HG2 LYS 5 2.728 -4.577 -8.663 37 HG3 LYS 5 HG3 LYS 5 3.468 -6.132 -9.050 38 HD2 LYS 5 HD2 LYS 5 4.501 -5.716 -6.597 39 HD3 LYS 5 HD3 LYS 5 2.965 -4.863 -6.431 40 HE2 LYS 5 HE2 LYS 5 1.927 -6.995 -7.441 41 HE3 LYS 5 HE3 LYS 5 3.462 -7.759 -7.033 42 HZ1 LYS 5 HZ1 LYS 5 1.333 -6.817 -5.284 43 HZ2 LYS 5 HZ2 LYS 5 2.914 -6.585 -4.732 44 HZ3 LYS 5 HZ3 LYS 5 2.371 -8.142 -5.110 45 H THR 6 H THR 6 6.148 -6.971 -11.213 46 HA THR 6 HA THR 6 7.981 -5.420 -12.737 47 HB THR 6 HB THR 6 7.650 -7.007 -14.511 48 HG1 THR 6 HG1 THR 6 5.936 -8.640 -14.182 49 HG21 THR 6 HG21 THR 6 7.460 -8.407 -11.840 50 HG22 THR 6 HG22 THR 6 8.939 -7.805 -12.590 51 HG23 THR 6 HG23 THR 6 8.043 -9.125 -13.341 52 H ALA 7 H ALA 7 7.123 -5.260 -15.262 53 HA ALA 7 HA ALA 7 4.776 -3.480 -15.123 54 HB1 ALA 7 HB1 ALA 7 5.838 -2.259 -17.047 55 HB2 ALA 7 HB2 ALA 7 6.684 -2.121 -15.505 56 HB3 ALA 7 HB3 ALA 7 7.293 -3.211 -16.751 57 H LYS 8 H LYS 8 5.156 -6.420 -15.841 58 HA LYS 8 HA LYS 8 4.831 -6.870 -18.558 59 HB2 LYS 8 HB2 LYS 8 3.595 -8.367 -16.240 60 HB3 LYS 8 HB3 LYS 8 3.667 -8.962 -17.894 61 HG2 LYS 8 HG2 LYS 8 6.100 -8.956 -17.803 62 HG3 LYS 8 HG3 LYS 8 6.044 -8.327 -16.155 63 HD2 LYS 8 HD2 LYS 8 4.781 -10.361 -15.484 64 HD3 LYS 8 HD3 LYS 8 5.011 -10.994 -17.116 65 HE2 LYS 8 HE2 LYS 8 7.499 -10.686 -16.726 66 HE3 LYS 8 HE3 LYS 8 7.101 -10.415 -15.030 67 HZ1 LYS 8 HZ1 LYS 8 6.204 -12.838 -16.468 68 HZ2 LYS 8 HZ2 LYS 8 6.310 -12.585 -14.800 69 HZ3 LYS 8 HZ3 LYS 8 7.719 -12.761 -15.719 70 H LYS 9 H LYS 9 2.622 -5.529 -16.263 71 HA LYS 9 HA LYS 9 0.857 -4.554 -18.196 72 HB2 LYS 9 HB2 LYS 9 -1.152 -5.986 -17.577 73 HB3 LYS 9 HB3 LYS 9 0.052 -6.737 -18.616 74 HG2 LYS 9 HG2 LYS 9 0.689 -7.244 -15.869 75 HG3 LYS 9 HG3 LYS 9 -0.982 -7.707 -16.201 76 HD2 LYS 9 HD2 LYS 9 1.206 -8.511 -18.078 77 HD3 LYS 9 HD3 LYS 9 0.930 -9.425 -16.594 78 HE2 LYS 9 HE2 LYS 9 -1.508 -8.854 -18.102 79 HE3 LYS 9 HE3 LYS 9 -0.344 -9.839 -18.985 80 HZ1 LYS 9 HZ1 LYS 9 -0.948 -11.581 -17.788 81 HZ2 LYS 9 HZ2 LYS 9 -2.093 -10.644 -16.969 82 HZ3 LYS 9 HZ3 LYS 9 -0.524 -10.793 -16.352 83 H LEU 10 H LEU 10 2.137 -3.556 -15.932 84 HA LEU 10 HA LEU 10 -0.030 -2.268 -14.620 85 HB2 LEU 10 HB2 LEU 10 0.700 -3.034 -12.301 86 HB3 LEU 10 HB3 LEU 10 -0.281 -4.140 -13.260 87 HG LEU 10 HG LEU 10 2.660 -4.474 -13.416 88 HD11 LEU 10 HD11 LEU 10 2.724 -5.760 -11.345 89 HD12 LEU 10 HD12 LEU 10 1.062 -5.289 -10.993 90 HD13 LEU 10 HD13 LEU 10 2.334 -4.068 -11.033 91 HD21 LEU 10 HD21 LEU 10 1.891 -6.268 -14.480 92 HD22 LEU 10 HD22 LEU 10 0.242 -5.971 -13.928 93 HD23 LEU 10 HD23 LEU 10 1.362 -6.881 -12.913 94 H GLU 11 H GLU 11 1.448 -0.712 -15.749 95 HA GLU 11 HA GLU 11 2.887 0.798 -13.896 96 HB2 GLU 11 HB2 GLU 11 4.398 -1.358 -14.648 97 HB3 GLU 11 HB3 GLU 11 4.931 -0.133 -15.791 98 HG2 GLU 11 HG2 GLU 11 5.339 1.380 -13.838 99 HG3 GLU 11 HG3 GLU 11 5.025 -0.003 -12.791 100 H ASN 12 H ASN 12 0.957 1.170 -15.942 101 HA ASN 12 HA ASN 12 1.960 2.222 -18.327 102 HB2 ASN 12 HB2 ASN 12 -0.565 2.665 -16.766 103 HB3 ASN 12 HB3 ASN 12 -0.232 3.638 -18.196 104 HD21 ASN 12 HD21 ASN 12 -0.864 0.434 -16.990 105 HD22 ASN 12 HD22 ASN 12 -1.272 -0.274 -18.513 106 H SER 13 H SER 13 1.863 3.543 -15.126 107 HA SER 13 HA SER 13 3.633 5.650 -15.775 108 HB2 SER 13 HB2 SER 13 2.091 7.554 -15.253 109 HB3 SER 13 HB3 SER 13 1.710 6.729 -16.764 110 HG SER 13 HG SER 13 -0.152 7.120 -15.473 111 H ALA 14 H ALA 14 3.226 3.500 -13.839 112 HA ALA 14 HA ALA 14 3.025 5.024 -11.331 113 HB1 ALA 14 HB1 ALA 14 3.187 2.096 -11.165 114 HB2 ALA 14 HB2 ALA 14 2.108 3.225 -10.344 115 HB3 ALA 14 HB3 ALA 14 1.763 2.720 -11.998 116 H LYS 15 H LYS 15 5.355 4.561 -13.329 117 HA LYS 15 HA LYS 15 7.313 3.632 -11.331 118 HB2 LYS 15 HB2 LYS 15 8.762 3.387 -13.510 119 HB3 LYS 15 HB3 LYS 15 7.616 2.134 -13.053 120 HG2 LYS 15 HG2 LYS 15 7.306 2.465 -15.352 121 HG3 LYS 15 HG3 LYS 15 5.954 3.292 -14.574 122 HD2 LYS 15 HD2 LYS 15 8.012 5.187 -14.747 123 HD3 LYS 15 HD3 LYS 15 7.997 4.353 -16.303 124 HE2 LYS 15 HE2 LYS 15 5.429 4.710 -16.175 125 HE3 LYS 15 HE3 LYS 15 5.832 5.943 -14.981 126 HZ1 LYS 15 HZ1 LYS 15 5.966 7.233 -16.800 127 HZ2 LYS 15 HZ2 LYS 15 6.251 5.940 -17.853 128 HZ3 LYS 15 HZ3 LYS 15 7.520 6.577 -16.934 129 H LYS 16 H LYS 16 6.213 6.273 -13.156 130 HA LYS 16 HA LYS 16 8.753 7.709 -12.945 131 HB2 LYS 16 HB2 LYS 16 6.664 7.731 -14.829 132 HB3 LYS 16 HB3 LYS 16 6.587 9.287 -14.014 133 HG2 LYS 16 HG2 LYS 16 7.977 9.397 -16.005 134 HG3 LYS 16 HG3 LYS 16 8.926 9.699 -14.548 135 HD2 LYS 16 HD2 LYS 16 8.997 6.917 -15.010 136 HD3 LYS 16 HD3 LYS 16 9.297 7.701 -16.563 137 HE2 LYS 16 HE2 LYS 16 10.844 9.189 -14.886 138 HE3 LYS 16 HE3 LYS 16 10.954 7.594 -14.143 139 HZ1 LYS 16 HZ1 LYS 16 12.667 8.136 -15.887 140 HZ2 LYS 16 HZ2 LYS 16 11.427 8.031 -17.032 141 HZ3 LYS 16 HZ3 LYS 16 11.834 6.679 -16.102 142 H ARG 17 H ARG 17 5.680 7.440 -11.425 143 HA ARG 17 HA ARG 17 5.842 10.018 -10.111 144 HB2 ARG 17 HB2 ARG 17 3.706 9.597 -9.283 145 HB3 ARG 17 HB3 ARG 17 3.693 8.775 -10.837 146 HG2 ARG 17 HG2 ARG 17 4.390 6.692 -9.481 147 HG3 ARG 17 HG3 ARG 17 3.811 7.609 -8.089 148 HD2 ARG 17 HD2 ARG 17 1.952 7.692 -10.317 149 HD3 ARG 17 HD3 ARG 17 2.284 6.043 -9.787 150 HE ARG 17 HE ARG 17 1.199 6.484 -7.805 151 HH11 ARG 17 HH11 ARG 17 1.691 9.443 -9.571 152 HH12 ARG 17 HH12 ARG 17 0.659 10.381 -8.544 153 HH21 ARG 17 HH21 ARG 17 -0.163 7.709 -6.445 154 HH22 ARG 17 HH22 ARG 17 -0.394 9.394 -6.765 155 H ILE 18 H ILE 18 6.633 6.696 -9.460 156 HA ILE 18 HA ILE 18 7.002 7.149 -6.619 157 HB ILE 18 HB ILE 18 7.610 4.833 -6.461 158 HG12 ILE 18 HG12 ILE 18 7.619 4.830 -9.488 159 HG13 ILE 18 HG13 ILE 18 9.032 4.683 -8.448 160 HG21 ILE 18 HG21 ILE 18 5.232 5.313 -6.641 161 HG22 ILE 18 HG22 ILE 18 5.326 5.189 -8.397 162 HG23 ILE 18 HG23 ILE 18 5.611 3.765 -7.396 163 HD11 ILE 18 HD11 ILE 18 7.869 2.599 -7.512 164 HD12 ILE 18 HD12 ILE 18 6.852 2.701 -8.950 165 HD13 ILE 18 HD13 ILE 18 8.597 2.508 -9.115 166 H SER 19 H SER 19 8.904 7.049 -9.529 167 HA SER 19 HA SER 19 11.446 6.654 -8.383 168 HB2 SER 19 HB2 SER 19 12.321 7.603 -10.489 169 HB3 SER 19 HB3 SER 19 11.052 6.417 -10.789 170 HG SER 19 HG SER 19 9.638 8.409 -10.776 171 H GLU 20 H GLU 20 9.314 9.281 -8.214 172 HA GLU 20 HA GLU 20 11.358 11.300 -7.841 173 HB2 GLU 20 HB2 GLU 20 8.738 11.396 -8.656 174 HB3 GLU 20 HB3 GLU 20 8.627 11.957 -6.993 175 HG2 GLU 20 HG2 GLU 20 10.562 13.535 -7.632 176 HG3 GLU 20 HG3 GLU 20 10.102 13.167 -9.294 177 H GLY 21 H GLY 21 9.014 9.534 -5.855 178 HA2 GLY 21 HA2 GLY 21 9.903 10.833 -3.427 179 HA3 GLY 21 HA3 GLY 21 8.704 9.554 -3.550 180 H ILE 22 H ILE 22 10.384 7.731 -5.020 181 HA ILE 22 HA ILE 22 11.742 6.536 -2.801 182 HB ILE 22 HB ILE 22 10.549 5.310 -4.701 183 HG12 ILE 22 HG12 ILE 22 13.353 4.473 -3.932 184 HG13 ILE 22 HG13 ILE 22 11.895 4.174 -2.992 185 HG21 ILE 22 HG21 ILE 22 11.633 4.931 -6.729 186 HG22 ILE 22 HG22 ILE 22 11.887 6.651 -6.434 187 HG23 ILE 22 HG23 ILE 22 13.185 5.500 -6.114 188 HD11 ILE 22 HD11 ILE 22 12.703 2.970 -5.614 189 HD12 ILE 22 HD12 ILE 22 12.358 2.161 -4.084 190 HD13 ILE 22 HD13 ILE 22 11.048 2.892 -5.011 191 H ALA 23 H ALA 23 12.646 8.657 -5.343 192 HA ALA 23 HA ALA 23 15.410 7.987 -5.483 193 HB1 ALA 23 HB1 ALA 23 14.598 9.123 -7.349 194 HB2 ALA 23 HB2 ALA 23 13.798 10.354 -6.370 195 HB3 ALA 23 HB3 ALA 23 15.556 10.338 -6.503 196 H ILE 24 H ILE 24 13.524 10.285 -3.588 197 HA ILE 24 HA ILE 24 15.915 11.356 -2.326 198 HB ILE 24 HB ILE 24 14.450 12.883 -1.167 199 HG12 ILE 24 HG12 ILE 24 12.175 11.307 -2.391 200 HG13 ILE 24 HG13 ILE 24 12.614 11.324 -0.686 201 HG21 ILE 24 HG21 ILE 24 14.748 12.744 -3.933 202 HG22 ILE 24 HG22 ILE 24 13.051 13.147 -3.674 203 HG23 ILE 24 HG23 ILE 24 14.315 14.163 -2.979 204 HD11 ILE 24 HD11 ILE 24 12.197 13.841 -0.799 205 HD12 ILE 24 HD12 ILE 24 11.387 13.502 -2.329 206 HD13 ILE 24 HD13 ILE 24 10.799 12.767 -0.838 207 H ALA 25 H ALA 25 13.387 9.064 -1.687 208 HA ALA 25 HA ALA 25 13.697 8.932 1.136 209 HB1 ALA 25 HB1 ALA 25 11.745 7.922 0.715 210 HB2 ALA 25 HB2 ALA 25 12.219 7.475 -0.924 211 HB3 ALA 25 HB3 ALA 25 12.721 6.479 0.443 212 H ILE 26 H ILE 26 15.197 7.259 -1.573 213 HA ILE 26 HA ILE 26 16.688 5.499 0.195 214 HB ILE 26 HB ILE 26 16.798 5.788 -2.810 215 HG12 ILE 26 HG12 ILE 26 14.647 4.942 -2.131 216 HG13 ILE 26 HG13 ILE 26 15.590 3.596 -2.760 217 HG21 ILE 26 HG21 ILE 26 18.128 3.868 -0.919 218 HG22 ILE 26 HG22 ILE 26 17.914 3.520 -2.634 219 HG23 ILE 26 HG23 ILE 26 18.877 4.909 -2.129 220 HD11 ILE 26 HD11 ILE 26 16.103 2.897 -0.477 221 HD12 ILE 26 HD12 ILE 26 15.142 4.239 0.144 222 HD13 ILE 26 HD13 ILE 26 14.366 2.949 -0.775 223 H GLN 27 H GLN 27 17.128 8.456 -1.564 224 HA GLN 27 HA GLN 27 19.905 8.529 -1.801 225 HB2 GLN 27 HB2 GLN 27 18.523 10.171 -2.905 226 HB3 GLN 27 HB3 GLN 27 17.931 10.773 -1.362 227 HG2 GLN 27 HG2 GLN 27 19.556 12.298 -2.248 228 HG3 GLN 27 HG3 GLN 27 20.209 11.519 -0.807 229 HE21 GLN 27 HE21 GLN 27 22.332 11.870 -1.363 230 HE22 GLN 27 HE22 GLN 27 23.110 11.044 -2.665 231 H GLY 28 H GLY 28 17.889 8.815 0.983 232 HA2 GLY 28 HA2 GLY 28 20.283 9.437 2.597 233 HA3 GLY 28 HA3 GLY 28 18.723 10.166 2.948 234 H GLY 29 H GLY 29 18.766 6.890 1.865 235 HA2 GLY 29 HA2 GLY 29 17.552 6.000 4.303 236 HA3 GLY 29 HA3 GLY 29 17.955 5.001 2.914 237 HA PRO 30 HA PRO 30 21.406 3.270 4.981 238 HB2 PRO 30 HB2 PRO 30 23.358 3.257 3.094 239 HB3 PRO 30 HB3 PRO 30 21.954 2.185 3.031 240 HG2 PRO 30 HG2 PRO 30 22.440 4.759 1.581 241 HG3 PRO 30 HG3 PRO 30 21.750 3.244 0.971 242 HD2 PRO 30 HD2 PRO 30 20.219 5.367 1.665 243 HD3 PRO 30 HD3 PRO 30 19.668 3.690 1.854 244 H ARG 31 H ARG 31 21.918 6.374 3.446 245 HA ARG 31 HA ARG 31 24.176 6.895 5.261 246 HB2 ARG 31 HB2 ARG 31 24.474 7.121 2.729 247 HB3 ARG 31 HB3 ARG 31 23.446 8.543 2.847 248 HG2 ARG 31 HG2 ARG 31 25.412 8.844 4.823 249 HG3 ARG 31 HG3 ARG 31 26.246 8.277 3.375 250 HD2 ARG 31 HD2 ARG 31 24.711 10.102 2.225 251 HD3 ARG 31 HD3 ARG 31 24.739 10.796 3.846 252 HE ARG 31 HE ARG 31 27.356 10.131 2.959 253 HH11 ARG 31 HH11 ARG 31 24.822 12.493 2.612 254 HH12 ARG 31 HH12 ARG 31 25.901 13.781 2.189 255 HH21 ARG 31 HH21 ARG 31 28.787 11.818 2.403 256 HH22 ARG 31 HH22 ARG 31 28.157 13.395 2.069 Start of MODEL 20 1 H1 SER 1 H SER 1 6.794 -7.510 1.046 2 HA SER 1 HA SER 1 4.686 -6.292 -0.614 3 HB2 SER 1 HB2 SER 1 7.117 -7.803 -1.603 4 HB3 SER 1 HB3 SER 1 5.825 -7.156 -2.613 5 HG SER 1 HG SER 1 7.644 -5.690 -1.004 6 H TRP 2 H TRP 2 3.072 -7.570 0.286 7 HA TRP 2 HA TRP 2 3.359 -10.469 0.174 8 HB2 TRP 2 HB2 TRP 2 1.172 -8.688 1.263 9 HB3 TRP 2 HB3 TRP 2 1.094 -10.448 1.265 10 HD1 TRP 2 HD1 TRP 2 3.193 -7.585 2.790 11 HE1 TRP 2 HE1 TRP 2 4.221 -8.432 4.992 12 HE3 TRP 2 HE3 TRP 2 1.677 -12.462 2.568 13 HZ2 TRP 2 HZ2 TRP 2 4.370 -10.849 6.443 14 HZ3 TRP 2 HZ3 TRP 2 2.304 -13.976 4.403 15 HH2 TRP 2 HH2 TRP 2 3.624 -13.185 6.299 16 H LEU 3 H LEU 3 1.402 -11.708 -0.648 17 HA LEU 3 HA LEU 3 0.073 -12.345 -2.379 18 HB2 LEU 3 HB2 LEU 3 -0.570 -9.596 -1.875 19 HB3 LEU 3 HB3 LEU 3 -0.687 -9.928 -3.602 20 HG LEU 3 HG LEU 3 -2.849 -10.198 -2.576 21 HD11 LEU 3 HD11 LEU 3 -3.376 -12.438 -3.292 22 HD12 LEU 3 HD12 LEU 3 -1.679 -12.906 -3.192 23 HD13 LEU 3 HD13 LEU 3 -2.199 -11.730 -4.399 24 HD21 LEU 3 HD21 LEU 3 -3.312 -11.531 -0.731 25 HD22 LEU 3 HD22 LEU 3 -1.781 -10.771 -0.298 26 HD23 LEU 3 HD23 LEU 3 -1.805 -12.436 -0.881 27 H SER 4 H SER 4 -0.297 -11.833 -4.875 28 HA SER 4 HA SER 4 2.401 -11.588 -6.012 29 HB2 SER 4 HB2 SER 4 1.238 -12.703 -8.033 30 HB3 SER 4 HB3 SER 4 1.533 -13.692 -6.603 31 HG SER 4 HG SER 4 -0.615 -13.890 -7.460 32 H LYS 5 H LYS 5 2.087 -9.211 -5.795 33 HA LYS 5 HA LYS 5 0.191 -7.705 -7.121 34 HB2 LYS 5 HB2 LYS 5 2.649 -7.227 -5.826 35 HB3 LYS 5 HB3 LYS 5 2.774 -6.465 -7.406 36 HG2 LYS 5 HG2 LYS 5 1.674 -4.736 -6.571 37 HG3 LYS 5 HG3 LYS 5 0.245 -5.767 -6.467 38 HD2 LYS 5 HD2 LYS 5 1.606 -6.503 -4.228 39 HD3 LYS 5 HD3 LYS 5 2.036 -4.795 -4.351 40 HE2 LYS 5 HE2 LYS 5 -0.346 -4.219 -4.485 41 HE3 LYS 5 HE3 LYS 5 -0.762 -5.926 -4.339 42 HZ1 LYS 5 HZ1 LYS 5 0.365 -4.118 -2.305 43 HZ2 LYS 5 HZ2 LYS 5 0.601 -5.787 -2.177 44 HZ3 LYS 5 HZ3 LYS 5 -0.968 -5.154 -2.190 45 H THR 6 H THR 6 -0.207 -7.140 -9.182 46 HA THR 6 HA THR 6 1.656 -8.132 -11.241 47 HB THR 6 HB THR 6 -0.340 -9.398 -11.451 48 HG1 THR 6 HG1 THR 6 0.526 -8.011 -13.372 49 HG21 THR 6 HG21 THR 6 -1.775 -7.932 -10.069 50 HG22 THR 6 HG22 THR 6 -2.563 -8.432 -11.566 51 HG23 THR 6 HG23 THR 6 -1.892 -6.808 -11.422 52 H ALA 7 H ALA 7 -0.191 -5.448 -10.060 53 HA ALA 7 HA ALA 7 0.589 -3.831 -12.389 54 HB1 ALA 7 HB1 ALA 7 -1.113 -2.254 -11.717 55 HB2 ALA 7 HB2 ALA 7 -1.812 -3.871 -11.822 56 HB3 ALA 7 HB3 ALA 7 -1.430 -3.176 -10.247 57 H LYS 8 H LYS 8 2.248 -4.656 -9.992 58 HA LYS 8 HA LYS 8 2.704 -2.556 -8.244 59 HB2 LYS 8 HB2 LYS 8 3.740 -4.737 -7.951 60 HB3 LYS 8 HB3 LYS 8 4.690 -4.513 -9.414 61 HG2 LYS 8 HG2 LYS 8 6.098 -2.971 -8.422 62 HG3 LYS 8 HG3 LYS 8 4.937 -2.576 -7.153 63 HD2 LYS 8 HD2 LYS 8 5.986 -5.358 -7.298 64 HD3 LYS 8 HD3 LYS 8 7.045 -4.094 -6.671 65 HE2 LYS 8 HE2 LYS 8 5.193 -3.463 -5.098 66 HE3 LYS 8 HE3 LYS 8 4.337 -4.909 -5.632 67 HZ1 LYS 8 HZ1 LYS 8 6.399 -6.162 -4.948 68 HZ2 LYS 8 HZ2 LYS 8 5.474 -5.514 -3.689 69 HZ3 LYS 8 HZ3 LYS 8 6.905 -4.749 -4.168 70 H LYS 9 H LYS 9 3.524 -2.856 -11.595 71 HA LYS 9 HA LYS 9 4.066 -0.138 -11.937 72 HB2 LYS 9 HB2 LYS 9 6.241 -1.460 -10.786 73 HB3 LYS 9 HB3 LYS 9 6.659 -1.317 -12.488 74 HG2 LYS 9 HG2 LYS 9 5.916 0.927 -10.623 75 HG3 LYS 9 HG3 LYS 9 7.518 0.575 -11.277 76 HD2 LYS 9 HD2 LYS 9 7.059 1.861 -13.030 77 HD3 LYS 9 HD3 LYS 9 5.747 0.766 -13.471 78 HE2 LYS 9 HE2 LYS 9 4.974 3.084 -13.240 79 HE3 LYS 9 HE3 LYS 9 4.205 2.012 -12.071 80 HZ1 LYS 9 HZ1 LYS 9 4.975 3.252 -10.425 81 HZ2 LYS 9 HZ2 LYS 9 5.592 4.352 -11.552 82 HZ3 LYS 9 HZ3 LYS 9 6.568 3.099 -10.972 83 H LEU 10 H LEU 10 2.594 -2.154 -13.231 84 HA LEU 10 HA LEU 10 3.770 -3.270 -15.492 85 HB2 LEU 10 HB2 LEU 10 1.607 -3.635 -16.303 86 HB3 LEU 10 HB3 LEU 10 1.450 -3.667 -14.548 87 HG LEU 10 HG LEU 10 0.779 -1.264 -16.239 88 HD11 LEU 10 HD11 LEU 10 -1.611 -2.034 -15.594 89 HD12 LEU 10 HD12 LEU 10 -0.866 -3.623 -15.427 90 HD13 LEU 10 HD13 LEU 10 -0.803 -2.778 -16.974 91 HD21 LEU 10 HD21 LEU 10 -0.490 -0.621 -14.205 92 HD22 LEU 10 HD22 LEU 10 1.254 -0.700 -13.953 93 HD23 LEU 10 HD23 LEU 10 0.219 -2.004 -13.371 94 H GLU 11 H GLU 11 2.847 0.001 -14.832 95 HA GLU 11 HA GLU 11 2.479 1.070 -17.347 96 HB2 GLU 11 HB2 GLU 11 3.986 2.357 -15.063 97 HB3 GLU 11 HB3 GLU 11 3.248 3.197 -16.420 98 HG2 GLU 11 HG2 GLU 11 1.538 1.460 -14.719 99 HG3 GLU 11 HG3 GLU 11 2.045 3.029 -14.096 100 H ASN 12 H ASN 12 3.760 1.693 -19.017 101 HA ASN 12 HA ASN 12 6.569 0.843 -18.888 102 HB2 ASN 12 HB2 ASN 12 5.026 1.479 -21.399 103 HB3 ASN 12 HB3 ASN 12 6.506 0.539 -21.239 104 HD21 ASN 12 HD21 ASN 12 3.610 0.081 -22.201 105 HD22 ASN 12 HD22 ASN 12 3.206 -1.445 -21.498 106 H SER 13 H SER 13 5.600 3.376 -17.817 107 HA SER 13 HA SER 13 7.600 5.086 -18.810 108 HB2 SER 13 HB2 SER 13 5.231 5.111 -20.364 109 HB3 SER 13 HB3 SER 13 5.255 6.616 -19.446 110 HG SER 13 HG SER 13 7.115 5.646 -21.322 111 H ALA 14 H ALA 14 7.383 7.336 -17.883 112 HA ALA 14 HA ALA 14 7.004 8.758 -16.139 113 HB1 ALA 14 HB1 ALA 14 4.750 7.195 -15.029 114 HB2 ALA 14 HB2 ALA 14 4.903 8.930 -15.307 115 HB3 ALA 14 HB3 ALA 14 4.548 7.849 -16.654 116 H LYS 15 H LYS 15 8.090 5.749 -15.935 117 HA LYS 15 HA LYS 15 8.337 5.747 -13.003 118 HB2 LYS 15 HB2 LYS 15 8.608 3.424 -13.056 119 HB3 LYS 15 HB3 LYS 15 7.370 3.724 -14.268 120 HG2 LYS 15 HG2 LYS 15 8.672 2.322 -15.468 121 HG3 LYS 15 HG3 LYS 15 9.511 3.828 -15.847 122 HD2 LYS 15 HD2 LYS 15 10.630 2.952 -13.443 123 HD3 LYS 15 HD3 LYS 15 10.462 1.499 -14.430 124 HE2 LYS 15 HE2 LYS 15 11.483 3.802 -15.906 125 HE3 LYS 15 HE3 LYS 15 12.523 3.308 -14.571 126 HZ1 LYS 15 HZ1 LYS 15 13.258 1.650 -15.813 127 HZ2 LYS 15 HZ2 LYS 15 12.245 2.111 -17.086 128 HZ3 LYS 15 HZ3 LYS 15 11.696 1.008 -15.927 129 H LYS 16 H LYS 16 10.049 6.117 -15.954 130 HA LYS 16 HA LYS 16 12.654 5.570 -14.821 131 HB2 LYS 16 HB2 LYS 16 12.025 5.156 -17.237 132 HB3 LYS 16 HB3 LYS 16 12.035 6.900 -17.459 133 HG2 LYS 16 HG2 LYS 16 14.122 5.882 -18.200 134 HG3 LYS 16 HG3 LYS 16 14.384 6.986 -16.848 135 HD2 LYS 16 HD2 LYS 16 13.862 4.356 -15.845 136 HD3 LYS 16 HD3 LYS 16 15.145 4.278 -17.054 137 HE2 LYS 16 HE2 LYS 16 16.238 6.200 -15.831 138 HE3 LYS 16 HE3 LYS 16 15.058 5.943 -14.547 139 HZ1 LYS 16 HZ1 LYS 16 16.136 4.145 -13.820 140 HZ2 LYS 16 HZ2 LYS 16 17.453 4.718 -14.714 141 HZ3 LYS 16 HZ3 LYS 16 16.427 3.547 -15.376 142 H ARG 17 H ARG 17 10.605 8.326 -15.419 143 HA ARG 17 HA ARG 17 12.651 10.297 -15.070 144 HB2 ARG 17 HB2 ARG 17 10.939 11.902 -15.252 145 HB3 ARG 17 HB3 ARG 17 10.426 10.581 -16.294 146 HG2 ARG 17 HG2 ARG 17 9.204 9.832 -14.044 147 HG3 ARG 17 HG3 ARG 17 9.257 11.575 -13.771 148 HD2 ARG 17 HD2 ARG 17 8.280 10.417 -16.361 149 HD3 ARG 17 HD3 ARG 17 7.209 10.599 -14.972 150 HE ARG 17 HE ARG 17 8.413 13.053 -15.331 151 HH11 ARG 17 HH11 ARG 17 6.383 10.924 -17.192 152 HH12 ARG 17 HH12 ARG 17 5.629 12.206 -18.079 153 HH21 ARG 17 HH21 ARG 17 7.427 14.750 -16.492 154 HH22 ARG 17 HH22 ARG 17 6.224 14.382 -17.681 155 H ILE 18 H ILE 18 10.512 8.537 -12.969 156 HA ILE 18 HA ILE 18 11.020 10.281 -10.704 157 HB ILE 18 HB ILE 18 9.482 8.989 -9.481 158 HG12 ILE 18 HG12 ILE 18 9.840 6.854 -11.593 159 HG13 ILE 18 HG13 ILE 18 10.366 6.776 -9.916 160 HG21 ILE 18 HG21 ILE 18 7.510 8.918 -10.887 161 HG22 ILE 18 HG22 ILE 18 8.480 10.336 -11.280 162 HG23 ILE 18 HG23 ILE 18 8.515 8.924 -12.336 163 HD11 ILE 18 HD11 ILE 18 7.550 6.750 -10.958 164 HD12 ILE 18 HD12 ILE 18 8.408 5.461 -10.115 165 HD13 ILE 18 HD13 ILE 18 7.960 6.932 -9.253 166 H SER 19 H SER 19 12.172 7.280 -12.028 167 HA SER 19 HA SER 19 13.377 6.212 -9.715 168 HB2 SER 19 HB2 SER 19 13.625 4.532 -11.178 169 HB3 SER 19 HB3 SER 19 13.298 5.610 -12.535 170 HG SER 19 HG SER 19 15.633 4.553 -11.753 171 H GLU 20 H GLU 20 14.164 8.921 -11.597 172 HA GLU 20 HA GLU 20 16.999 8.882 -11.025 173 HB2 GLU 20 HB2 GLU 20 15.477 10.077 -12.972 174 HB3 GLU 20 HB3 GLU 20 15.827 11.426 -11.900 175 HG2 GLU 20 HG2 GLU 20 18.260 10.136 -12.175 176 HG3 GLU 20 HG3 GLU 20 17.543 10.063 -13.784 177 H GLY 21 H GLY 21 14.165 10.760 -9.991 178 HA2 GLY 21 HA2 GLY 21 15.704 12.259 -8.062 179 HA3 GLY 21 HA3 GLY 21 13.964 12.335 -8.298 180 H ILE 22 H ILE 22 13.546 9.484 -8.011 181 HA ILE 22 HA ILE 22 13.330 9.389 -5.161 182 HB ILE 22 HB ILE 22 11.744 8.350 -6.925 183 HG12 ILE 22 HG12 ILE 22 12.579 6.793 -4.468 184 HG13 ILE 22 HG13 ILE 22 11.445 8.139 -4.501 185 HG21 ILE 22 HG21 ILE 22 13.503 5.949 -6.549 186 HG22 ILE 22 HG22 ILE 22 12.174 6.180 -7.685 187 HG23 ILE 22 HG23 ILE 22 13.698 7.035 -7.924 188 HD11 ILE 22 HD11 ILE 22 10.034 6.335 -4.453 189 HD12 ILE 22 HD12 ILE 22 10.152 6.635 -6.187 190 HD13 ILE 22 HD13 ILE 22 11.095 5.340 -5.450 191 H ALA 23 H ALA 23 15.634 8.282 -7.470 192 HA ALA 23 HA ALA 23 16.773 6.175 -5.936 193 HB1 ALA 23 HB1 ALA 23 17.227 6.087 -8.226 194 HB2 ALA 23 HB2 ALA 23 17.731 7.776 -8.285 195 HB3 ALA 23 HB3 ALA 23 18.758 6.577 -7.500 196 H ILE 24 H ILE 24 17.425 9.629 -6.227 197 HA ILE 24 HA ILE 24 19.703 9.469 -4.438 198 HB ILE 24 HB ILE 24 19.952 11.844 -4.771 199 HG12 ILE 24 HG12 ILE 24 17.318 11.705 -6.255 200 HG13 ILE 24 HG13 ILE 24 17.580 12.471 -4.692 201 HG21 ILE 24 HG21 ILE 24 20.474 11.866 -7.068 202 HG22 ILE 24 HG22 ILE 24 20.630 10.184 -6.565 203 HG23 ILE 24 HG23 ILE 24 19.199 10.710 -7.450 204 HD11 ILE 24 HD11 ILE 24 17.835 14.340 -5.873 205 HD12 ILE 24 HD12 ILE 24 19.438 13.711 -6.258 206 HD13 ILE 24 HD13 ILE 24 18.101 13.462 -7.380 207 H ALA 25 H ALA 25 16.327 10.344 -4.335 208 HA ALA 25 HA ALA 25 16.339 11.761 -1.894 209 HB1 ALA 25 HB1 ALA 25 13.997 10.129 -2.794 210 HB2 ALA 25 HB2 ALA 25 14.023 11.700 -1.993 211 HB3 ALA 25 HB3 ALA 25 14.489 11.567 -3.689 212 H ILE 26 H ILE 26 16.098 8.337 -2.666 213 HA ILE 26 HA ILE 26 15.656 7.631 0.121 214 HB ILE 26 HB ILE 26 16.009 5.858 -2.299 215 HG12 ILE 26 HG12 ILE 26 13.487 6.532 -0.773 216 HG13 ILE 26 HG13 ILE 26 13.965 7.322 -2.272 217 HG21 ILE 26 HG21 ILE 26 14.965 4.143 -0.753 218 HG22 ILE 26 HG22 ILE 26 16.637 4.588 -0.415 219 HG23 ILE 26 HG23 ILE 26 15.332 5.253 0.566 220 HD11 ILE 26 HD11 ILE 26 12.386 5.659 -2.833 221 HD12 ILE 26 HD12 ILE 26 13.962 5.051 -3.340 222 HD13 ILE 26 HD13 ILE 26 13.217 4.444 -1.862 223 H GLN 27 H GLN 27 18.211 7.578 -2.279 224 HA GLN 27 HA GLN 27 20.038 5.893 -1.037 225 HB2 GLN 27 HB2 GLN 27 20.503 6.612 -3.249 226 HB3 GLN 27 HB3 GLN 27 20.421 8.309 -2.795 227 HG2 GLN 27 HG2 GLN 27 22.714 7.573 -3.191 228 HG3 GLN 27 HG3 GLN 27 22.469 8.104 -1.528 229 HE21 GLN 27 HE21 GLN 27 21.958 5.075 -3.312 230 HE22 GLN 27 HE22 GLN 27 22.815 4.074 -2.194 231 H GLY 28 H GLY 28 19.062 9.115 -0.218 232 HA2 GLY 28 HA2 GLY 28 20.889 9.024 2.085 233 HA3 GLY 28 HA3 GLY 28 20.850 10.464 1.078 234 H GLY 29 H GLY 29 17.976 8.592 1.751 235 HA2 GLY 29 HA2 GLY 29 16.813 10.935 3.046 236 HA3 GLY 29 HA3 GLY 29 15.941 9.518 2.480 237 HA PRO 30 HA PRO 30 15.769 7.865 6.530 238 HB2 PRO 30 HB2 PRO 30 16.218 5.216 6.142 239 HB3 PRO 30 HB3 PRO 30 14.722 6.019 5.651 240 HG2 PRO 30 HG2 PRO 30 17.110 5.289 4.000 241 HG3 PRO 30 HG3 PRO 30 15.388 5.119 3.612 242 HD2 PRO 30 HD2 PRO 30 16.903 7.150 2.657 243 HD3 PRO 30 HD3 PRO 30 15.175 7.336 3.018 244 H ARG 31 H ARG 31 18.652 7.209 4.667 245 HA ARG 31 HA ARG 31 20.283 7.484 7.034 246 HB2 ARG 31 HB2 ARG 31 19.730 5.067 7.015 247 HB3 ARG 31 HB3 ARG 31 20.430 4.940 5.407 248 HG2 ARG 31 HG2 ARG 31 22.448 4.650 6.263 249 HG3 ARG 31 HG3 ARG 31 22.321 6.160 7.168 250 HD2 ARG 31 HD2 ARG 31 22.708 4.393 8.730 251 HD3 ARG 31 HD3 ARG 31 21.036 4.923 8.910 252 HE ARG 31 HE ARG 31 20.939 2.834 7.138 253 HH11 ARG 31 HH11 ARG 31 22.086 3.296 10.392 254 HH12 ARG 31 HH12 ARG 31 21.775 1.661 10.873 255 HH21 ARG 31 HH21 ARG 31 20.526 0.678 7.759 256 HH22 ARG 31 HH22 ARG 31 20.889 0.172 9.374
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