NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
646146 | 6ji7 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 2 H GLU 2 -2.716 14.229 4.065 2 HA GLU 2 HA GLU 2 -0.431 13.521 5.834 3 HB2 GLU 2 HB2 GLU 2 -3.053 12.157 5.184 4 HB3 GLU 2 HB3 GLU 2 -1.744 11.331 6.046 5 HG2 GLU 2 HG3 GLU 2 -1.838 13.051 7.815 6 HG3 GLU 2 HG2 GLU 2 -3.155 13.861 6.944 7 H GLY 3 H GLY 3 1.219 12.300 5.195 8 HA2 GLY 3 HA3 GLY 3 0.946 10.530 2.860 9 HA3 GLY 3 HA2 GLY 3 2.056 11.899 2.661 10 H GLU 4 H GLU 4 1.346 9.641 5.353 11 HA GLU 4 HA GLU 4 4.210 8.817 5.294 12 HB2 GLU 4 HB3 GLU 4 4.202 8.798 7.803 13 HB3 GLU 4 HB2 GLU 4 4.121 10.405 7.068 14 HG2 GLU 4 HG2 GLU 4 1.712 10.513 7.523 15 HG3 GLU 4 HG3 GLU 4 1.768 8.896 8.249 16 H CYS 5 H CYS 5 1.643 7.637 4.336 17 HA CYS 5 HA CYS 5 0.521 5.652 4.230 18 HB2 CYS 5 HB3 CYS 5 1.781 3.633 4.317 19 HB3 CYS 5 HB2 CYS 5 2.808 4.907 3.645 20 H SER 6 H SER 6 -0.316 3.708 5.291 21 HA SER 6 HA SER 6 -0.413 3.886 8.252 22 HB2 SER 6 HB3 SER 6 -2.841 3.903 6.416 23 HB3 SER 6 HB2 SER 6 -2.899 3.633 8.171 24 HG SER 6 HG SER 6 -3.282 5.835 7.599 25 HA PRO 7 HA PRO 7 -0.295 -0.577 8.029 26 HB2 PRO 7 HB3 PRO 7 -2.573 -0.747 9.965 27 HB3 PRO 7 HB2 PRO 7 -0.928 -1.435 10.088 28 HG2 PRO 7 HG2 PRO 7 -1.681 0.677 11.551 29 HG3 PRO 7 HG3 PRO 7 -0.029 0.538 10.887 30 HD2 PRO 7 HD3 PRO 7 -2.336 2.214 9.933 31 HD3 PRO 7 HD2 PRO 7 -0.592 2.614 10.002 32 H LEU 8 H LEU 8 -1.010 -0.948 6.012 33 HA LEU 8 HA LEU 8 -2.364 -1.473 4.242 34 HB2 LEU 8 HB3 LEU 8 -3.499 -2.871 6.489 35 HB3 LEU 8 HB2 LEU 8 -4.800 -2.318 5.425 36 HG LEU 8 HG LEU 8 -3.432 -3.354 3.511 37 HD11 LEU 8 HD11 LEU 8 -1.346 -3.672 4.785 38 HD12 LEU 8 HD12 LEU 8 -1.964 -5.209 4.135 39 HD13 LEU 8 HD13 LEU 8 -2.182 -4.819 5.858 40 HD21 LEU 8 HD21 LEU 8 -4.428 -5.565 3.937 41 HD22 LEU 8 HD22 LEU 8 -5.551 -4.240 4.323 42 HD23 LEU 8 HD23 LEU 8 -4.709 -5.102 5.632 43 H GLY 9 H GLY 9 -2.678 0.470 3.333 44 HA2 GLY 9 HA3 GLY 9 -5.299 1.607 3.376 45 HA3 GLY 9 HA2 GLY 9 -4.237 2.556 4.428 46 H GLU 10 H GLU 10 -2.142 3.393 3.399 47 HA GLU 10 HA GLU 10 -2.812 4.975 1.145 48 HB2 GLU 10 HB3 GLU 10 -0.438 4.488 2.766 49 HB3 GLU 10 HB2 GLU 10 -0.039 4.800 1.069 50 HG2 GLU 10 HG2 GLU 10 -1.854 6.591 2.699 51 HG3 GLU 10 HG3 GLU 10 -0.100 6.828 2.586 52 HA PRO 11 HA PRO 11 -2.547 2.104 -2.314 53 HB2 PRO 11 HB3 PRO 11 -2.122 4.645 -3.868 54 HB3 PRO 11 HB2 PRO 11 -3.309 3.336 -4.139 55 HG2 PRO 11 HG2 PRO 11 -4.060 5.669 -3.112 56 HG3 PRO 11 HG3 PRO 11 -4.745 4.135 -2.505 57 HD2 PRO 11 HD2 PRO 11 -2.651 5.908 -1.269 58 HD3 PRO 11 HD3 PRO 11 -3.990 5.003 -0.498 59 H CYS 12 H CYS 12 -1.053 1.560 -4.098 60 HA CYS 12 HA CYS 12 1.737 2.022 -3.269 61 HB2 CYS 12 HB2 CYS 12 0.658 0.264 -5.485 62 HB3 CYS 12 HB3 CYS 12 2.276 0.204 -4.765 63 H ALA 13 H ALA 13 -0.399 3.524 -5.403 64 HA ALA 13 HA ALA 13 1.614 4.100 -7.475 65 HB1 ALA 13 HB1 ALA 13 -0.193 5.387 -8.552 66 HB2 ALA 13 HB2 ALA 13 -0.690 3.721 -8.172 67 HB3 ALA 13 HB3 ALA 13 -1.242 5.069 -7.149 68 H GLY 14 H GLY 14 3.151 5.478 -7.035 69 HA2 GLY 14 HA3 GLY 14 3.221 8.093 -6.934 70 HA3 GLY 14 HA2 GLY 14 2.558 7.822 -5.310 71 H ASN 15 H ASN 15 3.842 5.897 -4.181 72 HA ASN 15 HA ASN 15 5.708 5.398 -2.955 73 HB2 ASN 15 HB3 ASN 15 6.863 5.563 -5.736 74 HB3 ASN 15 HB2 ASN 15 7.849 5.108 -4.332 75 HD21 ASN 15 HD21 ASN 15 5.105 2.509 -5.941 76 HD22 ASN 15 HD22 ASN 15 5.188 4.182 -6.448 77 HA PRO 16 HA PRO 16 7.047 5.278 -1.422 78 HB2 PRO 16 HB3 PRO 16 7.534 6.846 1.001 79 HB3 PRO 16 HB2 PRO 16 8.628 5.686 0.196 80 HG2 PRO 16 HG2 PRO 16 9.082 8.383 0.330 81 HG3 PRO 16 HG3 PRO 16 9.705 7.327 -0.968 82 HD2 PRO 16 HD2 PRO 16 7.291 9.140 -0.987 83 HD3 PRO 16 HD3 PRO 16 8.544 8.887 -2.244 84 H TRP 17 H TRP 17 4.716 6.787 -2.205 85 HA TRP 17 HA TRP 17 3.105 7.320 0.184 86 HB2 TRP 17 HB3 TRP 17 2.487 7.322 -2.786 87 HB3 TRP 17 HB2 TRP 17 1.285 7.682 -1.535 88 HD1 TRP 17 HD1 TRP 17 4.597 9.115 -2.964 89 HE1 TRP 17 HE1 TRP 17 4.690 11.648 -2.482 90 HE3 TRP 17 HE3 TRP 17 0.368 9.517 -0.103 91 HZ2 TRP 17 HZ2 TRP 17 3.157 13.534 -1.076 92 HZ3 TRP 17 HZ3 TRP 17 -0.251 11.733 0.774 93 HH2 TRP 17 HH2 TRP 17 1.125 13.713 0.289 94 H GLY 18 H GLY 18 4.158 4.476 -0.759 95 HA2 GLY 18 HA2 GLY 18 1.689 2.972 -1.130 96 HA3 GLY 18 HA3 GLY 18 3.316 2.304 -0.905 97 H CYS 19 H CYS 19 2.400 0.692 0.440 98 HA CYS 19 HA CYS 19 1.221 1.556 3.002 99 HB2 CYS 19 HB2 CYS 19 1.840 -1.212 1.922 100 HB3 CYS 19 HB3 CYS 19 0.945 -0.858 3.410 101 H CYS 20 H CYS 20 2.154 1.391 4.961 102 HA CYS 20 HA CYS 20 4.917 1.746 5.279 103 HB2 CYS 20 HB2 CYS 20 3.062 0.533 7.341 104 HB3 CYS 20 HB3 CYS 20 4.546 1.451 7.642 105 HA PRO 21 HA PRO 21 7.144 -2.096 5.053 106 HB2 PRO 21 HB3 PRO 21 8.086 -1.592 7.878 107 HB3 PRO 21 HB2 PRO 21 9.040 -2.005 6.423 108 HG2 PRO 21 HG2 PRO 21 9.002 0.479 7.330 109 HG3 PRO 21 HG3 PRO 21 8.898 0.161 5.575 110 HD2 PRO 21 HD3 PRO 21 6.730 0.944 7.504 111 HD3 PRO 21 HD2 PRO 21 6.993 1.472 5.814 112 H GLY 22 H GLY 22 6.976 -4.256 5.534 113 HA2 GLY 22 HA3 GLY 22 6.478 -6.056 7.110 114 HA3 GLY 22 HA2 GLY 22 5.284 -4.994 7.879 115 H CYS 23 H CYS 23 4.743 -4.272 4.807 116 HA CYS 23 HA CYS 23 2.994 -6.626 4.247 117 HB2 CYS 23 HB3 CYS 23 2.260 -3.695 4.315 118 HB3 CYS 23 HB2 CYS 23 1.353 -4.856 3.332 119 H ILE 24 H ILE 24 2.537 -7.044 2.088 120 HA ILE 24 HA ILE 24 4.361 -5.669 0.173 121 HB ILE 24 HB ILE 24 4.007 -7.722 -1.292 122 HG12 ILE 24 HG13 ILE 24 2.041 -8.630 0.037 123 HG13 ILE 24 HG12 ILE 24 3.285 -9.788 -0.442 124 HG21 ILE 24 HG21 ILE 24 5.785 -8.997 -0.149 125 HG22 ILE 24 HG22 ILE 24 5.536 -8.003 1.306 126 HG23 ILE 24 HG23 ILE 24 6.107 -7.247 -0.202 127 HD11 ILE 24 HD11 ILE 24 4.035 -10.105 1.746 128 HD12 ILE 24 HD12 ILE 24 2.270 -9.967 1.928 129 HD13 ILE 24 HD13 ILE 24 3.316 -8.581 2.320 130 H CYS 25 H CYS 25 3.643 -5.181 -1.932 131 HA CYS 25 HA CYS 25 0.759 -4.502 -1.979 132 HB2 CYS 25 HB3 CYS 25 2.445 -2.741 -2.410 133 HB3 CYS 25 HB2 CYS 25 3.022 -3.657 -3.812 134 H ILE 26 H ILE 26 -0.616 -4.961 -3.661 135 HA ILE 26 HA ILE 26 0.161 -7.326 -5.286 136 HB ILE 26 HB ILE 26 -2.589 -6.266 -4.506 137 HG12 ILE 26 HG12 ILE 26 -1.520 -7.305 -2.613 138 HG13 ILE 26 HG13 ILE 26 -2.813 -8.358 -3.200 139 HG21 ILE 26 HG21 ILE 26 -2.625 -7.291 -6.752 140 HG22 ILE 26 HG22 ILE 26 -3.563 -8.222 -5.560 141 HG23 ILE 26 HG23 ILE 26 -1.952 -8.788 -6.063 142 HD11 ILE 26 HD11 ILE 26 -0.543 -9.320 -4.507 143 HD12 ILE 26 HD12 ILE 26 0.045 -8.888 -2.883 144 HD13 ILE 26 HD13 ILE 26 -1.313 -10.024 -3.064 145 H TRP 27 H TRP 27 -2.020 -4.477 -5.622 146 HA TRP 27 HA TRP 27 -2.509 -3.100 -7.387 147 HB2 TRP 27 HB2 TRP 27 -0.101 -2.508 -6.892 148 HB3 TRP 27 HB3 TRP 27 0.368 -3.522 -8.261 149 HD1 TRP 27 HD1 TRP 27 -2.672 -1.097 -8.452 150 HE1 TRP 27 HE1 TRP 27 -2.176 0.733 -10.197 151 HE3 TRP 27 HE3 TRP 27 2.212 -2.276 -9.458 152 HZ2 TRP 27 HZ2 TRP 27 -0.000 1.551 -11.764 153 HZ3 TRP 27 HZ3 TRP 27 3.436 -0.906 -11.097 154 HH2 TRP 27 HH2 TRP 27 2.342 0.981 -12.235 155 H GLN 28 H GLN 28 -2.800 -6.059 -7.772 156 HA GLN 28 HA GLN 28 -2.612 -6.239 -10.737 157 HB2 GLN 28 HB2 GLN 28 -3.167 -8.311 -8.596 158 HB3 GLN 28 HB3 GLN 28 -3.335 -8.641 -10.328 159 HG2 GLN 28 HG3 GLN 28 -0.946 -8.088 -10.647 160 HG3 GLN 28 HG2 GLN 28 -0.797 -7.789 -8.904 161 HE21 GLN 28 HE21 GLN 28 -0.628 -11.180 -7.961 162 HE22 GLN 28 HE22 GLN 28 -0.852 -9.527 -7.434 163 H LEU 29 H LEU 29 -4.512 -4.783 -8.783 164 HA LEU 29 HA LEU 29 -6.934 -5.148 -10.403 165 HB2 LEU 29 HB2 LEU 29 -6.961 -6.742 -8.324 166 HB3 LEU 29 HB3 LEU 29 -7.251 -5.264 -7.398 167 HG LEU 29 HG LEU 29 -9.019 -5.828 -9.749 168 HD11 LEU 29 HD11 LEU 29 -8.858 -7.999 -8.591 169 HD12 LEU 29 HD12 LEU 29 -9.301 -7.209 -7.059 170 HD13 LEU 29 HD13 LEU 29 -10.469 -7.267 -8.401 171 HD21 LEU 29 HD21 LEU 29 -9.250 -3.750 -8.436 172 HD22 LEU 29 HD22 LEU 29 -10.700 -4.775 -8.311 173 HD23 LEU 29 HD23 LEU 29 -9.532 -4.716 -6.968 174 H THR 30 H THR 30 -5.543 -3.612 -7.467 175 HA THR 30 HA THR 30 -6.209 -0.968 -8.586 176 HB THR 30 HB THR 30 -6.936 -0.549 -5.976 177 HG1 THR 30 HG1 THR 30 -8.346 -2.209 -5.394 178 HG21 THR 30 HG21 THR 30 -9.239 -0.393 -6.832 179 HG22 THR 30 HG22 THR 30 -8.750 -1.278 -8.297 180 HG23 THR 30 HG23 THR 30 -8.068 0.331 -7.960 181 H ASP 31 H ASP 31 -5.056 -2.476 -5.533 182 HA ASP 31 HA ASP 31 -2.395 -1.942 -5.459 183 HB2 ASP 31 HB2 ASP 31 -2.088 0.252 -4.289 184 HB3 ASP 31 HB3 ASP 31 -2.601 0.418 -5.976 185 H ARG 32 H ARG 32 -4.180 -3.696 -4.335 186 HA ARG 32 HA ARG 32 -4.634 -3.045 -1.517 187 HB2 ARG 32 HB2 ARG 32 -5.075 -5.514 -3.200 188 HB3 ARG 32 HB3 ARG 32 -5.330 -5.514 -1.447 189 HG2 ARG 32 HG2 ARG 32 -6.993 -3.704 -1.704 190 HG3 ARG 32 HG3 ARG 32 -6.747 -3.740 -3.463 191 HD2 ARG 32 HD3 ARG 32 -7.499 -6.087 -3.517 192 HD3 ARG 32 HD2 ARG 32 -7.737 -6.049 -1.758 193 HE ARG 32 HE ARG 32 -9.226 -3.930 -2.956 194 HH11 ARG 32 HH11 ARG 32 -9.269 -7.464 -2.671 195 HH12 ARG 32 HH12 ARG 32 -11.006 -7.563 -2.853 196 HH21 ARG 32 HH21 ARG 32 -11.463 -4.101 -3.188 197 HH22 ARG 32 HH22 ARG 32 -12.241 -5.667 -3.145 198 H CYS 33 H CYS 33 -3.363 -3.387 0.147 199 HA CYS 33 HA CYS 33 -0.859 -4.944 -0.262 200 HB2 CYS 33 HB3 CYS 33 -1.670 -3.007 1.934 201 HB3 CYS 33 HB2 CYS 33 -0.111 -3.840 1.821 202 H VAL 34 H VAL 34 -0.532 -6.850 0.677 203 HA VAL 34 HA VAL 34 -2.420 -7.682 2.830 204 HB VAL 34 HB VAL 34 -1.770 -10.071 1.998 205 HG11 VAL 34 HG11 VAL 34 -4.022 -9.074 1.958 206 HG12 VAL 34 HG12 VAL 34 -3.657 -8.344 0.376 207 HG13 VAL 34 HG13 VAL 34 -3.716 -10.115 0.547 208 HG21 VAL 34 HG21 VAL 34 -0.073 -9.361 0.346 209 HG22 VAL 34 HG22 VAL 34 -1.398 -10.284 -0.402 210 HG23 VAL 34 HG23 VAL 34 -1.339 -8.513 -0.573 211 H GLY 35 H GLY 35 -1.617 -9.148 4.435 212 HA2 GLY 35 HA2 GLY 35 0.592 -10.333 5.073 213 HA3 GLY 35 HA3 GLY 35 1.295 -8.711 4.920 214 H ASN 36 H ASN 36 1.933 -8.476 7.020 215 HA ASN 36 HA ASN 36 -0.259 -7.987 8.957 216 HB2 ASN 36 HB3 ASN 36 0.825 -10.370 9.172 217 HB3 ASN 36 HB2 ASN 36 2.187 -9.486 9.886 218 HD21 ASN 36 HD21 ASN 36 1.946 -8.425 11.887 219 HD22 ASN 36 HD22 ASN 36 0.603 -8.773 12.953 220 H CYS 37 H CYS 37 0.162 -5.801 8.582 221 HA CYS 37 HA CYS 37 2.600 -4.809 9.984 222 HB2 CYS 37 HB3 CYS 37 2.757 -2.956 8.361 223 HB3 CYS 37 HB2 CYS 37 3.027 -4.541 7.618 Start of MODEL 2 1 H1 GLU 2 H GLU 2 4.031 14.678 -0.089 2 HA GLU 2 HA GLU 2 2.525 14.488 2.483 3 HB2 GLU 2 HB2 GLU 2 1.633 13.690 -0.295 4 HB3 GLU 2 HB3 GLU 2 0.895 13.013 1.167 5 HG2 GLU 2 HG3 GLU 2 0.258 15.286 1.886 6 HG3 GLU 2 HG2 GLU 2 1.000 15.951 0.418 7 H GLY 3 H GLY 3 2.955 12.765 3.678 8 HA2 GLY 3 HA2 GLY 3 3.736 10.223 2.505 9 HA3 GLY 3 HA3 GLY 3 5.092 11.061 3.284 10 H GLU 4 H GLU 4 1.916 9.596 3.755 11 HA GLU 4 HA GLU 4 2.646 9.002 6.565 12 HB2 GLU 4 HB3 GLU 4 1.103 11.145 6.226 13 HB3 GLU 4 HB2 GLU 4 -0.162 9.921 6.032 14 HG2 GLU 4 HG2 GLU 4 0.379 8.987 8.231 15 HG3 GLU 4 HG3 GLU 4 1.665 10.192 8.437 16 H CYS 5 H CYS 5 2.981 6.900 5.884 17 HA CYS 5 HA CYS 5 0.702 5.414 4.721 18 HB2 CYS 5 HB3 CYS 5 2.350 3.520 4.654 19 HB3 CYS 5 HB2 CYS 5 2.766 4.934 3.675 20 H SER 6 H SER 6 -0.082 3.467 5.602 21 HA SER 6 HA SER 6 0.528 2.871 8.424 22 HB2 SER 6 HB3 SER 6 -2.244 3.735 7.514 23 HB3 SER 6 HB2 SER 6 -1.869 2.998 9.087 24 HG SER 6 HG SER 6 -1.918 5.304 9.175 25 HA PRO 7 HA PRO 7 -0.314 -1.340 7.222 26 HB2 PRO 7 HB3 PRO 7 -2.018 -1.605 9.694 27 HB3 PRO 7 HB2 PRO 7 -0.639 -2.610 9.158 28 HG2 PRO 7 HG3 PRO 7 -0.368 -0.873 11.148 29 HG3 PRO 7 HG2 PRO 7 0.931 -1.081 9.939 30 HD2 PRO 7 HD2 PRO 7 -1.108 1.123 10.203 31 HD3 PRO 7 HD3 PRO 7 0.624 1.212 9.756 32 H LEU 8 H LEU 8 -1.655 -1.635 5.532 33 HA LEU 8 HA LEU 8 -3.538 -1.733 4.216 34 HB2 LEU 8 HB2 LEU 8 -4.608 -2.439 6.933 35 HB3 LEU 8 HB3 LEU 8 -5.752 -2.184 5.616 36 HG LEU 8 HG LEU 8 -5.246 -4.559 6.018 37 HD11 LEU 8 HD11 LEU 8 -5.967 -4.438 3.877 38 HD12 LEU 8 HD12 LEU 8 -4.302 -4.971 3.544 39 HD13 LEU 8 HD13 LEU 8 -4.729 -3.249 3.406 40 HD21 LEU 8 HD21 LEU 8 -2.905 -4.320 6.764 41 HD22 LEU 8 HD22 LEU 8 -3.090 -5.541 5.482 42 HD23 LEU 8 HD23 LEU 8 -2.426 -3.936 5.093 43 H GLY 9 H GLY 9 -2.763 0.673 4.242 44 HA2 GLY 9 HA2 GLY 9 -5.220 2.297 4.588 45 HA3 GLY 9 HA3 GLY 9 -3.728 2.854 5.367 46 H GLU 10 H GLU 10 -1.768 3.024 3.838 47 HA GLU 10 HA GLU 10 -2.630 4.684 1.591 48 HB2 GLU 10 HB2 GLU 10 -0.056 4.091 2.956 49 HB3 GLU 10 HB3 GLU 10 0.043 4.571 1.255 50 HG2 GLU 10 HG2 GLU 10 -1.420 6.159 3.383 51 HG3 GLU 10 HG3 GLU 10 0.268 6.446 2.925 52 HA PRO 11 HA PRO 11 -2.374 1.643 -1.637 53 HB2 PRO 11 HB2 PRO 11 -1.474 3.665 -3.597 54 HB3 PRO 11 HB3 PRO 11 -3.060 2.854 -3.463 55 HG2 PRO 11 HG3 PRO 11 -2.700 5.481 -2.929 56 HG3 PRO 11 HG2 PRO 11 -3.926 4.480 -2.101 57 HD2 PRO 11 HD3 PRO 11 -1.190 5.328 -1.154 58 HD3 PRO 11 HD2 PRO 11 -2.743 5.318 -0.260 59 H CYS 12 H CYS 12 -0.921 0.970 -3.609 60 HA CYS 12 HA CYS 12 1.882 0.903 -2.619 61 HB2 CYS 12 HB2 CYS 12 0.787 -1.251 -2.947 62 HB3 CYS 12 HB3 CYS 12 0.413 -0.839 -4.628 63 H ALA 13 H ALA 13 -0.058 1.569 -5.537 64 HA ALA 13 HA ALA 13 2.369 2.540 -6.940 65 HB1 ALA 13 HB1 ALA 13 1.110 2.425 -8.944 66 HB2 ALA 13 HB2 ALA 13 0.680 0.966 -8.020 67 HB3 ALA 13 HB3 ALA 13 -0.434 2.353 -8.062 68 H GLY 14 H GLY 14 2.896 4.594 -7.021 69 HA2 GLY 14 HA2 GLY 14 1.477 6.790 -7.677 70 HA3 GLY 14 HA3 GLY 14 1.019 6.606 -5.973 71 H ASN 15 H ASN 15 3.033 6.130 -4.521 72 HA ASN 15 HA ASN 15 4.841 7.031 -3.451 73 HB2 ASN 15 HB2 ASN 15 5.825 7.025 -6.300 74 HB3 ASN 15 HB3 ASN 15 6.846 7.590 -4.963 75 HD21 ASN 15 HD21 ASN 15 7.498 4.385 -3.634 76 HD22 ASN 15 HD22 ASN 15 7.558 6.113 -3.370 77 HA PRO 16 HA PRO 16 5.936 8.115 -2.061 78 HB2 PRO 16 HB3 PRO 16 5.090 10.246 -0.212 79 HB3 PRO 16 HB2 PRO 16 6.747 9.735 -0.643 80 HG2 PRO 16 HG3 PRO 16 5.681 12.129 -1.365 81 HG3 PRO 16 HG2 PRO 16 6.911 11.274 -2.338 82 HD2 PRO 16 HD2 PRO 16 3.914 11.383 -2.716 83 HD3 PRO 16 HD3 PRO 16 5.225 11.539 -3.929 84 H TRP 17 H TRP 17 3.038 8.121 -3.070 85 HA TRP 17 HA TRP 17 1.439 7.826 -0.620 86 HB2 TRP 17 HB2 TRP 17 0.822 7.496 -3.569 87 HB3 TRP 17 HB3 TRP 17 -0.365 7.184 -2.292 88 HD1 TRP 17 HD1 TRP 17 1.689 10.101 -3.813 89 HE1 TRP 17 HE1 TRP 17 0.493 12.330 -3.303 90 HE3 TRP 17 HE3 TRP 17 -2.029 8.313 -0.778 91 HZ2 TRP 17 HZ2 TRP 17 -1.730 13.181 -1.815 92 HZ3 TRP 17 HZ3 TRP 17 -3.659 9.908 0.151 93 HH2 TRP 17 HH2 TRP 17 -3.509 12.310 -0.363 94 H GLY 18 H GLY 18 3.564 6.081 -0.514 95 HA2 GLY 18 HA2 GLY 18 2.492 3.428 -1.304 96 HA3 GLY 18 HA3 GLY 18 4.150 3.772 -0.776 97 H CYS 19 H CYS 19 2.969 1.619 0.258 98 HA CYS 19 HA CYS 19 1.769 2.360 2.852 99 HB2 CYS 19 HB3 CYS 19 1.692 -0.175 3.130 100 HB3 CYS 19 HB2 CYS 19 0.664 0.544 1.881 101 H CYS 20 H CYS 20 2.617 1.859 4.819 102 HA CYS 20 HA CYS 20 5.418 2.229 5.162 103 HB2 CYS 20 HB3 CYS 20 3.128 1.447 6.945 104 HB3 CYS 20 HB2 CYS 20 4.785 1.354 7.556 105 HA PRO 21 HA PRO 21 7.446 -1.709 4.858 106 HB2 PRO 21 HB2 PRO 21 8.773 -1.836 7.360 107 HB3 PRO 21 HB3 PRO 21 9.396 -1.064 5.874 108 HG2 PRO 21 HG3 PRO 21 7.991 0.159 8.219 109 HG3 PRO 21 HG2 PRO 21 9.369 0.778 7.266 110 HD2 PRO 21 HD2 PRO 21 6.909 1.759 6.895 111 HD3 PRO 21 HD3 PRO 21 7.990 1.460 5.498 112 H GLY 22 H GLY 22 6.932 -3.797 5.163 113 HA2 GLY 22 HA3 GLY 22 6.452 -5.601 6.820 114 HA3 GLY 22 HA2 GLY 22 5.312 -4.477 7.585 115 H CYS 23 H CYS 23 4.462 -3.497 4.866 116 HA CYS 23 HA CYS 23 2.510 -5.679 4.330 117 HB2 CYS 23 HB2 CYS 23 2.431 -2.857 3.247 118 HB3 CYS 23 HB3 CYS 23 1.097 -4.011 3.402 119 H ILE 24 H ILE 24 2.168 -6.520 2.285 120 HA ILE 24 HA ILE 24 4.341 -5.935 0.336 121 HB ILE 24 HB ILE 24 3.551 -8.124 -0.777 122 HG12 ILE 24 HG12 ILE 24 2.765 -9.727 1.195 123 HG13 ILE 24 HG13 ILE 24 2.015 -8.238 1.794 124 HG21 ILE 24 HG21 ILE 24 5.670 -7.813 0.443 125 HG22 ILE 24 HG22 ILE 24 4.850 -8.258 1.958 126 HG23 ILE 24 HG23 ILE 24 5.007 -9.452 0.647 127 HD11 ILE 24 HD11 ILE 24 0.441 -9.550 0.459 128 HD12 ILE 24 HD12 ILE 24 0.803 -7.999 -0.337 129 HD13 ILE 24 HD13 ILE 24 1.557 -9.500 -0.927 130 H CYS 25 H CYS 25 3.849 -5.956 -1.946 131 HA CYS 25 HA CYS 25 1.434 -4.351 -2.457 132 HB2 CYS 25 HB2 CYS 25 3.780 -3.818 -3.288 133 HB3 CYS 25 HB3 CYS 25 3.584 -5.159 -4.428 134 H ILE 26 H ILE 26 -0.304 -4.909 -3.595 135 HA ILE 26 HA ILE 26 -0.478 -7.724 -4.521 136 HB ILE 26 HB ILE 26 -2.705 -5.705 -4.004 137 HG12 ILE 26 HG12 ILE 26 -1.680 -6.272 -1.902 138 HG13 ILE 26 HG13 ILE 26 -3.257 -7.062 -2.008 139 HG21 ILE 26 HG21 ILE 26 -3.639 -8.404 -3.940 140 HG22 ILE 26 HG22 ILE 26 -2.747 -8.150 -5.459 141 HG23 ILE 26 HG23 ILE 26 -4.106 -7.082 -5.036 142 HD11 ILE 26 HD11 ILE 26 -2.135 -9.210 -2.520 143 HD12 ILE 26 HD12 ILE 26 -0.554 -8.401 -2.393 144 HD13 ILE 26 HD13 ILE 26 -1.604 -8.532 -0.962 145 H TRP 27 H TRP 27 -2.071 -4.683 -5.604 146 HA TRP 27 HA TRP 27 -2.478 -3.812 -7.688 147 HB2 TRP 27 HB2 TRP 27 0.083 -3.671 -7.493 148 HB3 TRP 27 HB3 TRP 27 0.132 -5.032 -8.620 149 HD1 TRP 27 HD1 TRP 27 -2.678 -2.995 -9.831 150 HE1 TRP 27 HE1 TRP 27 -1.974 -1.383 -11.714 151 HE3 TRP 27 HE3 TRP 27 2.407 -3.264 -9.234 152 HZ2 TRP 27 HZ2 TRP 27 0.417 -0.382 -12.784 153 HZ3 TRP 27 HZ3 TRP 27 3.835 -1.937 -10.738 154 HH2 TRP 27 HH2 TRP 27 2.851 -0.519 -12.490 155 H GLN 28 H GLN 28 -3.253 -6.662 -7.098 156 HA GLN 28 HA GLN 28 -3.415 -7.769 -9.853 157 HB2 GLN 28 HB3 GLN 28 -4.040 -8.938 -7.124 158 HB3 GLN 28 HB2 GLN 28 -4.474 -9.742 -8.642 159 HG2 GLN 28 HG2 GLN 28 -2.112 -9.804 -9.298 160 HG3 GLN 28 HG3 GLN 28 -1.664 -8.995 -7.784 161 HE21 GLN 28 HE21 GLN 28 -1.790 -10.128 -5.805 162 HE22 GLN 28 HE22 GLN 28 -1.905 -11.873 -5.756 163 H LEU 29 H LEU 29 -4.859 -5.487 -8.324 164 HA LEU 29 HA LEU 29 -7.466 -5.874 -9.631 165 HB2 LEU 29 HB2 LEU 29 -7.171 -5.387 -6.649 166 HB3 LEU 29 HB3 LEU 29 -8.665 -5.082 -7.544 167 HG LEU 29 HG LEU 29 -7.414 -7.809 -7.672 168 HD11 LEU 29 HD11 LEU 29 -7.410 -7.214 -5.279 169 HD12 LEU 29 HD12 LEU 29 -9.140 -6.810 -5.383 170 HD13 LEU 29 HD13 LEU 29 -8.601 -8.486 -5.642 171 HD21 LEU 29 HD21 LEU 29 -9.372 -7.258 -9.072 172 HD22 LEU 29 HD22 LEU 29 -9.752 -8.512 -7.868 173 HD23 LEU 29 HD23 LEU 29 -10.293 -6.837 -7.608 174 H THR 30 H THR 30 -5.492 -3.804 -7.467 175 HA THR 30 HA THR 30 -5.876 -1.557 -9.329 176 HB THR 30 HB THR 30 -6.191 -0.220 -6.957 177 HG1 THR 30 HG1 THR 30 -7.757 -1.320 -5.764 178 HG21 THR 30 HG21 THR 30 -8.532 0.095 -7.653 179 HG22 THR 30 HG22 THR 30 -7.417 0.197 -9.036 180 HG23 THR 30 HG23 THR 30 -8.379 -1.278 -8.776 181 H ASP 31 H ASP 31 -4.636 -2.128 -6.002 182 HA ASP 31 HA ASP 31 -1.927 -2.165 -6.267 183 HB2 ASP 31 HB2 ASP 31 -1.126 0.202 -5.980 184 HB3 ASP 31 HB3 ASP 31 -1.767 -0.152 -7.594 185 H ARG 32 H ARG 32 -3.786 -3.050 -4.482 186 HA ARG 32 HA ARG 32 -3.688 -1.369 -2.058 187 HB2 ARG 32 HB3 ARG 32 -5.001 -4.012 -2.723 188 HB3 ARG 32 HB2 ARG 32 -4.956 -3.361 -1.076 189 HG2 ARG 32 HG2 ARG 32 -6.123 -1.328 -1.857 190 HG3 ARG 32 HG3 ARG 32 -6.210 -2.020 -3.490 191 HD2 ARG 32 HD3 ARG 32 -7.521 -3.915 -2.616 192 HD3 ARG 32 HD2 ARG 32 -7.425 -3.225 -0.983 193 HE ARG 32 HE ARG 32 -8.532 -1.312 -2.811 194 HH11 ARG 32 HH11 ARG 32 -11.088 -3.882 -1.014 195 HH12 ARG 32 HH12 ARG 32 -9.382 -4.270 -1.053 196 HH21 ARG 32 HH21 ARG 32 -10.739 -0.848 -2.739 197 HH22 ARG 32 HH22 ARG 32 -11.850 -1.955 -1.964 198 H CYS 33 H CYS 33 -2.759 -1.921 -0.100 199 HA CYS 33 HA CYS 33 -0.512 -3.869 -0.322 200 HB2 CYS 33 HB3 CYS 33 -0.947 -1.419 1.401 201 HB3 CYS 33 HB2 CYS 33 0.319 -2.610 1.739 202 H VAL 34 H VAL 34 -0.805 -5.759 0.580 203 HA VAL 34 HA VAL 34 -2.334 -5.928 3.144 204 HB VAL 34 HB VAL 34 -2.470 -8.199 1.143 205 HG11 VAL 34 HG11 VAL 34 -4.902 -8.033 2.423 206 HG12 VAL 34 HG12 VAL 34 -3.539 -9.065 2.920 207 HG13 VAL 34 HG13 VAL 34 -3.771 -7.472 3.678 208 HG21 VAL 34 HG21 VAL 34 -4.729 -6.236 1.188 209 HG22 VAL 34 HG22 VAL 34 -3.296 -5.863 0.200 210 HG23 VAL 34 HG23 VAL 34 -4.212 -7.361 -0.091 211 H GLY 35 H GLY 35 -1.920 -8.363 4.030 212 HA2 GLY 35 HA2 GLY 35 0.138 -9.990 3.673 213 HA3 GLY 35 HA3 GLY 35 1.034 -8.548 4.190 214 H ASN 36 H ASN 36 1.501 -8.426 6.253 215 HA ASN 36 HA ASN 36 -0.360 -9.661 8.234 216 HB2 ASN 36 HB2 ASN 36 2.647 -10.017 8.046 217 HB3 ASN 36 HB3 ASN 36 1.725 -10.366 9.521 218 HD21 ASN 36 HD21 ASN 36 1.655 -12.907 6.292 219 HD22 ASN 36 HD22 ASN 36 2.402 -11.328 6.201 220 H CYS 37 H CYS 37 -0.018 -6.896 7.348 221 HA CYS 37 HA CYS 37 1.105 -5.669 9.828 222 HB2 CYS 37 HB3 CYS 37 1.303 -3.597 8.501 223 HB3 CYS 37 HB2 CYS 37 2.250 -4.934 7.829 Start of MODEL 3 1 H1 GLU 2 H GLU 2 9.099 6.682 0.364 2 HA GLU 2 HA GLU 2 8.190 6.372 3.192 3 HB2 GLU 2 HB3 GLU 2 10.781 6.720 2.643 4 HB3 GLU 2 HB2 GLU 2 10.272 8.411 2.503 5 HG2 GLU 2 HG2 GLU 2 9.363 8.340 4.779 6 HG3 GLU 2 HG3 GLU 2 9.858 6.643 4.932 7 H GLY 3 H GLY 3 6.907 7.964 4.004 8 HA2 GLY 3 HA3 GLY 3 6.583 10.580 3.129 9 HA3 GLY 3 HA2 GLY 3 5.524 9.621 2.077 10 H GLU 4 H GLU 4 3.657 8.728 2.854 11 HA GLU 4 HA GLU 4 3.031 8.987 5.727 12 HB2 GLU 4 HB2 GLU 4 1.703 10.562 3.548 13 HB3 GLU 4 HB3 GLU 4 0.722 9.979 4.905 14 HG2 GLU 4 HG2 GLU 4 2.163 11.131 6.484 15 HG3 GLU 4 HG3 GLU 4 3.242 11.641 5.171 16 H CYS 5 H CYS 5 2.994 6.827 5.859 17 HA CYS 5 HA CYS 5 0.783 5.444 4.400 18 HB2 CYS 5 HB3 CYS 5 2.109 3.361 4.674 19 HB3 CYS 5 HB2 CYS 5 2.878 4.570 3.635 20 H SER 6 H SER 6 0.101 3.389 5.581 21 HA SER 6 HA SER 6 0.240 3.541 8.517 22 HB2 SER 6 HB3 SER 6 -2.395 3.874 7.027 23 HB3 SER 6 HB2 SER 6 -2.236 3.572 8.771 24 HG SER 6 HG SER 6 -2.461 5.813 8.275 25 HA PRO 7 HA PRO 7 -0.149 -0.894 8.158 26 HB2 PRO 7 HB3 PRO 7 -2.166 -0.896 10.374 27 HB3 PRO 7 HB2 PRO 7 -0.608 -1.765 10.259 28 HG2 PRO 7 HG2 PRO 7 -0.913 0.355 11.861 29 HG3 PRO 7 HG3 PRO 7 0.608 0.069 10.970 30 HD2 PRO 7 HD3 PRO 7 -1.609 2.014 10.386 31 HD3 PRO 7 HD2 PRO 7 0.162 2.228 10.229 32 H LEU 8 H LEU 8 -1.149 -1.226 6.275 33 HA LEU 8 HA LEU 8 -2.752 -1.565 4.685 34 HB2 LEU 8 HB2 LEU 8 -3.693 -2.900 7.014 35 HB3 LEU 8 HB3 LEU 8 -5.092 -2.149 6.230 36 HG LEU 8 HG LEU 8 -4.166 -3.228 4.061 37 HD11 LEU 8 HD11 LEU 8 -2.907 -5.315 4.429 38 HD12 LEU 8 HD12 LEU 8 -1.985 -3.884 4.947 39 HD13 LEU 8 HD13 LEU 8 -2.772 -4.921 6.160 40 HD21 LEU 8 HD21 LEU 8 -5.380 -5.311 4.555 41 HD22 LEU 8 HD22 LEU 8 -5.349 -4.908 6.288 42 HD23 LEU 8 HD23 LEU 8 -6.246 -3.874 5.151 43 H GLY 9 H GLY 9 -2.823 0.461 3.919 44 HA2 GLY 9 HA2 GLY 9 -5.323 1.843 4.096 45 HA3 GLY 9 HA3 GLY 9 -4.108 2.678 5.080 46 H GLU 10 H GLU 10 -1.997 3.247 3.922 47 HA GLU 10 HA GLU 10 -2.730 4.572 1.421 48 HB2 GLU 10 HB2 GLU 10 -1.158 5.350 3.392 49 HB3 GLU 10 HB3 GLU 10 0.084 4.495 2.464 50 HG2 GLU 10 HG2 GLU 10 0.260 6.687 1.708 51 HG3 GLU 10 HG3 GLU 10 -0.733 5.914 0.459 52 HA PRO 11 HA PRO 11 -1.407 0.944 -1.014 53 HB2 PRO 11 HB2 PRO 11 -2.243 2.685 -3.302 54 HB3 PRO 11 HB3 PRO 11 -2.789 1.041 -2.864 55 HG2 PRO 11 HG3 PRO 11 -4.361 3.170 -2.528 56 HG3 PRO 11 HG2 PRO 11 -4.357 1.816 -1.362 57 HD2 PRO 11 HD3 PRO 11 -3.029 4.515 -1.170 58 HD3 PRO 11 HD2 PRO 11 -3.931 3.606 0.082 59 H CYS 12 H CYS 12 -0.125 0.790 -3.223 60 HA CYS 12 HA CYS 12 2.317 2.408 -2.866 61 HB2 CYS 12 HB2 CYS 12 1.668 -0.019 -4.552 62 HB3 CYS 12 HB3 CYS 12 3.231 0.813 -4.603 63 H ALA 13 H ALA 13 -0.470 2.386 -4.873 64 HA ALA 13 HA ALA 13 0.933 4.092 -6.884 65 HB1 ALA 13 HB1 ALA 13 -0.744 3.451 -8.492 66 HB2 ALA 13 HB2 ALA 13 -0.080 1.975 -7.752 67 HB3 ALA 13 HB3 ALA 13 -1.675 2.584 -7.247 68 H GLY 14 H GLY 14 0.654 6.165 -6.526 69 HA2 GLY 14 HA2 GLY 14 -1.930 7.374 -6.489 70 HA3 GLY 14 HA3 GLY 14 -1.297 7.307 -4.833 71 H ASN 15 H ASN 15 0.864 8.225 -4.466 72 HA ASN 15 HA ASN 15 1.108 10.771 -5.940 73 HB2 ASN 15 HB3 ASN 15 1.097 10.416 -3.336 74 HB3 ASN 15 HB2 ASN 15 2.813 10.042 -3.580 75 HD21 ASN 15 HD21 ASN 15 4.250 11.659 -4.295 76 HD22 ASN 15 HD22 ASN 15 3.829 13.355 -4.225 77 HA PRO 16 HA PRO 16 2.039 7.372 -5.002 78 HB2 PRO 16 HB3 PRO 16 4.373 5.675 -4.780 79 HB3 PRO 16 HB2 PRO 16 2.962 5.459 -5.852 80 HG2 PRO 16 HG2 PRO 16 5.540 6.031 -6.697 81 HG3 PRO 16 HG3 PRO 16 4.056 6.330 -7.643 82 HD2 PRO 16 HD2 PRO 16 5.694 8.259 -6.010 83 HD3 PRO 16 HD3 PRO 16 4.876 8.493 -7.587 84 H TRP 17 H TRP 17 1.867 6.881 -2.837 85 HA TRP 17 HA TRP 17 3.766 8.279 -1.045 86 HB2 TRP 17 HB3 TRP 17 1.050 7.024 -0.534 87 HB3 TRP 17 HB2 TRP 17 2.055 7.781 0.714 88 HD1 TRP 17 HD1 TRP 17 -0.550 8.602 -1.834 89 HE1 TRP 17 HE1 TRP 17 -0.927 11.151 -1.982 90 HE3 TRP 17 HE3 TRP 17 3.523 10.149 0.857 91 HZ2 TRP 17 HZ2 TRP 17 0.350 13.479 -1.069 92 HZ3 TRP 17 HZ3 TRP 17 3.875 12.566 1.176 93 HH2 TRP 17 HH2 TRP 17 2.307 14.206 0.225 94 H GLY 18 H GLY 18 2.258 5.037 -1.382 95 HA2 GLY 18 HA3 GLY 18 3.509 3.010 -1.140 96 HA3 GLY 18 HA2 GLY 18 4.714 3.887 -0.180 97 H CYS 19 H CYS 19 3.576 1.391 0.469 98 HA CYS 19 HA CYS 19 1.793 1.980 2.780 99 HB2 CYS 19 HB2 CYS 19 1.983 -0.145 0.893 100 HB3 CYS 19 HB3 CYS 19 2.447 -0.813 2.466 101 H CYS 20 H CYS 20 2.399 1.582 4.860 102 HA CYS 20 HA CYS 20 5.137 1.842 5.566 103 HB2 CYS 20 HB2 CYS 20 2.625 1.126 7.049 104 HB3 CYS 20 HB3 CYS 20 4.189 1.051 7.874 105 HA PRO 21 HA PRO 21 7.174 -2.098 5.574 106 HB2 PRO 21 HB2 PRO 21 7.894 -2.302 8.332 107 HB3 PRO 21 HB3 PRO 21 8.875 -1.599 7.015 108 HG2 PRO 21 HG3 PRO 21 7.084 -0.251 8.992 109 HG3 PRO 21 HG2 PRO 21 8.646 0.288 8.313 110 HD2 PRO 21 HD2 PRO 21 6.362 1.369 7.456 111 HD3 PRO 21 HD3 PRO 21 7.663 0.966 6.291 112 H GLY 22 H GLY 22 6.702 -4.223 5.785 113 HA2 GLY 22 HA3 GLY 22 5.798 -6.126 6.950 114 HA3 GLY 22 HA2 GLY 22 4.728 -5.038 7.856 115 H CYS 23 H CYS 23 3.994 -3.521 5.436 116 HA CYS 23 HA CYS 23 1.991 -5.448 4.364 117 HB2 CYS 23 HB3 CYS 23 1.989 -2.437 4.040 118 HB3 CYS 23 HB2 CYS 23 0.639 -3.566 3.847 119 H ILE 24 H ILE 24 1.876 -5.965 2.255 120 HA ILE 24 HA ILE 24 3.749 -4.560 0.400 121 HB ILE 24 HB ILE 24 3.725 -6.764 -0.933 122 HG12 ILE 24 HG12 ILE 24 3.637 -8.715 0.905 123 HG13 ILE 24 HG13 ILE 24 2.404 -7.648 1.598 124 HG21 ILE 24 HG21 ILE 24 5.665 -5.862 0.293 125 HG22 ILE 24 HG22 ILE 24 5.617 -7.641 0.321 126 HG23 ILE 24 HG23 ILE 24 5.122 -6.714 1.758 127 HD11 ILE 24 HD11 ILE 24 1.398 -9.334 0.138 128 HD12 ILE 24 HD12 ILE 24 1.168 -7.702 -0.533 129 HD13 ILE 24 HD13 ILE 24 2.408 -8.779 -1.219 130 H CYS 25 H CYS 25 3.129 -4.534 -1.869 131 HA CYS 25 HA CYS 25 0.168 -4.265 -2.124 132 HB2 CYS 25 HB2 CYS 25 2.428 -2.972 -3.676 133 HB3 CYS 25 HB3 CYS 25 0.710 -2.779 -4.059 134 H ILE 26 H ILE 26 -0.961 -5.270 -3.677 135 HA ILE 26 HA ILE 26 0.450 -7.388 -5.189 136 HB ILE 26 HB ILE 26 -2.546 -7.045 -5.250 137 HG12 ILE 26 HG12 ILE 26 -2.123 -6.806 -2.882 138 HG13 ILE 26 HG13 ILE 26 -2.827 -8.396 -3.198 139 HG21 ILE 26 HG21 ILE 26 -1.437 -8.766 -6.628 140 HG22 ILE 26 HG22 ILE 26 -0.789 -9.514 -5.149 141 HG23 ILE 26 HG23 ILE 26 -2.546 -9.468 -5.426 142 HD11 ILE 26 HD11 ILE 26 -1.081 -8.526 -1.488 143 HD12 ILE 26 HD12 ILE 26 0.101 -7.821 -2.616 144 HD13 ILE 26 HD13 ILE 26 -0.592 -9.427 -2.944 145 H TRP 27 H TRP 27 -2.034 -4.866 -5.766 146 HA TRP 27 HA TRP 27 -2.637 -3.655 -7.607 147 HB2 TRP 27 HB3 TRP 27 -0.249 -2.878 -7.239 148 HB3 TRP 27 HB2 TRP 27 0.227 -3.970 -8.546 149 HD1 TRP 27 HD1 TRP 27 -2.963 -1.769 -8.839 150 HE1 TRP 27 HE1 TRP 27 -2.631 -0.071 -10.749 151 HE3 TRP 27 HE3 TRP 27 1.967 -2.708 -9.876 152 HZ2 TRP 27 HZ2 TRP 27 -0.551 0.748 -12.438 153 HZ3 TRP 27 HZ3 TRP 27 3.057 -1.412 -11.662 154 HH2 TRP 27 HH2 TRP 27 1.814 0.294 -12.924 155 H GLN 28 H GLN 28 -2.779 -6.635 -7.745 156 HA GLN 28 HA GLN 28 -2.649 -7.047 -10.688 157 HB2 GLN 28 HB3 GLN 28 -1.756 -8.718 -8.872 158 HB3 GLN 28 HB2 GLN 28 -3.463 -9.155 -8.695 159 HG2 GLN 28 HG3 GLN 28 -3.572 -9.734 -11.082 160 HG3 GLN 28 HG2 GLN 28 -1.864 -9.293 -11.265 161 HE21 GLN 28 HE21 GLN 28 -0.236 -10.619 -10.384 162 HE22 GLN 28 HE22 GLN 28 -0.564 -12.264 -9.887 163 H LEU 29 H LEU 29 -4.575 -5.522 -8.800 164 HA LEU 29 HA LEU 29 -7.027 -6.196 -10.291 165 HB2 LEU 29 HB3 LEU 29 -6.890 -6.187 -7.254 166 HB3 LEU 29 HB2 LEU 29 -8.391 -6.093 -8.185 167 HG LEU 29 HG LEU 29 -7.293 -8.331 -9.260 168 HD11 LEU 29 HD11 LEU 29 -5.385 -8.275 -7.700 169 HD12 LEU 29 HD12 LEU 29 -6.515 -8.335 -6.326 170 HD13 LEU 29 HD13 LEU 29 -6.404 -9.713 -7.447 171 HD21 LEU 29 HD21 LEU 29 -9.589 -8.033 -8.413 172 HD22 LEU 29 HD22 LEU 29 -8.877 -9.571 -7.868 173 HD23 LEU 29 HD23 LEU 29 -8.988 -8.194 -6.745 174 H THR 30 H THR 30 -5.628 -4.169 -7.675 175 HA THR 30 HA THR 30 -6.499 -1.757 -9.134 176 HB THR 30 HB THR 30 -7.145 -1.008 -6.575 177 HG1 THR 30 HG1 THR 30 -8.421 -2.647 -5.694 178 HG21 THR 30 HG21 THR 30 -9.486 -1.112 -7.326 179 HG22 THR 30 HG22 THR 30 -9.003 -2.170 -8.674 180 HG23 THR 30 HG23 THR 30 -8.413 -0.492 -8.604 181 H ASP 31 H ASP 31 -5.016 -2.932 -6.101 182 HA ASP 31 HA ASP 31 -2.497 -2.393 -5.961 183 HB2 ASP 31 HB3 ASP 31 -3.082 -0.097 -7.205 184 HB3 ASP 31 HB2 ASP 31 -3.318 0.465 -5.539 185 H ARG 32 H ARG 32 -4.214 -3.637 -4.419 186 HA ARG 32 HA ARG 32 -4.733 -2.108 -1.949 187 HB2 ARG 32 HB2 ARG 32 -5.356 -4.927 -2.844 188 HB3 ARG 32 HB3 ARG 32 -5.629 -4.385 -1.179 189 HG2 ARG 32 HG2 ARG 32 -7.144 -2.624 -2.013 190 HG3 ARG 32 HG3 ARG 32 -6.877 -3.189 -3.676 191 HD2 ARG 32 HD3 ARG 32 -7.808 -5.392 -3.071 192 HD3 ARG 32 HD2 ARG 32 -8.071 -4.821 -1.411 193 HE ARG 32 HE ARG 32 -9.372 -3.042 -3.208 194 HH11 ARG 32 HH11 ARG 32 -9.685 -6.358 -1.994 195 HH12 ARG 32 HH12 ARG 32 -11.419 -6.390 -2.226 196 HH21 ARG 32 HH21 ARG 32 -11.609 -3.125 -3.491 197 HH22 ARG 32 HH22 ARG 32 -12.501 -4.570 -3.069 198 H CYS 33 H CYS 33 -3.912 -2.564 0.078 199 HA CYS 33 HA CYS 33 -1.210 -3.785 0.043 200 HB2 CYS 33 HB2 CYS 33 -2.667 -1.931 1.923 201 HB3 CYS 33 HB3 CYS 33 -1.211 -2.792 2.446 202 H VAL 34 H VAL 34 -0.918 -5.786 0.641 203 HA VAL 34 HA VAL 34 -2.588 -6.925 2.836 204 HB VAL 34 HB VAL 34 -1.724 -8.828 0.695 205 HG11 VAL 34 HG11 VAL 34 -2.858 -9.559 2.764 206 HG12 VAL 34 HG12 VAL 34 -4.281 -8.592 2.309 207 HG13 VAL 34 HG13 VAL 34 -3.785 -9.972 1.301 208 HG21 VAL 34 HG21 VAL 34 -3.934 -8.448 -0.523 209 HG22 VAL 34 HG22 VAL 34 -3.988 -6.864 0.286 210 HG23 VAL 34 HG23 VAL 34 -2.645 -7.256 -0.814 211 H GLY 35 H GLY 35 -1.523 -9.073 3.628 212 HA2 GLY 35 HA3 GLY 35 0.970 -9.992 3.328 213 HA3 GLY 35 HA2 GLY 35 1.324 -8.419 4.066 214 H ASN 36 H ASN 36 1.690 -8.488 6.146 215 HA ASN 36 HA ASN 36 0.078 -10.353 7.822 216 HB2 ASN 36 HB2 ASN 36 2.142 -10.845 9.169 217 HB3 ASN 36 HB3 ASN 36 2.143 -11.529 7.535 218 HD21 ASN 36 HD21 ASN 36 3.568 -10.685 5.948 219 HD22 ASN 36 HD22 ASN 36 4.943 -9.697 6.389 220 H CYS 37 H CYS 37 -0.096 -7.464 7.289 221 HA CYS 37 HA CYS 37 0.459 -6.424 10.033 222 HB2 CYS 37 HB3 CYS 37 0.402 -4.169 8.986 223 HB3 CYS 37 HB2 CYS 37 1.718 -5.200 8.399 Start of MODEL 4 1 H1 GLU 2 H GLU 2 -3.471 13.539 6.595 2 HA GLU 2 HA GLU 2 -2.626 10.725 7.130 3 HB2 GLU 2 HB3 GLU 2 -3.142 12.050 4.455 4 HB3 GLU 2 HB2 GLU 2 -2.133 10.604 4.630 5 HG2 GLU 2 HG2 GLU 2 -4.025 9.381 5.592 6 HG3 GLU 2 HG3 GLU 2 -5.046 10.823 5.440 7 H GLY 3 H GLY 3 -0.522 10.440 7.430 8 HA2 GLY 3 HA2 GLY 3 1.253 12.775 6.895 9 HA3 GLY 3 HA3 GLY 3 1.538 11.527 8.123 10 H GLU 4 H GLU 4 2.258 9.449 7.482 11 HA GLU 4 HA GLU 4 3.138 9.148 4.673 12 HB2 GLU 4 HB2 GLU 4 4.951 9.363 7.052 13 HB3 GLU 4 HB3 GLU 4 5.385 8.249 5.742 14 HG2 GLU 4 HG3 GLU 4 5.320 10.074 4.131 15 HG3 GLU 4 HG2 GLU 4 4.779 11.196 5.395 16 H CYS 5 H CYS 5 1.625 7.619 4.440 17 HA CYS 5 HA CYS 5 0.597 5.583 4.476 18 HB2 CYS 5 HB3 CYS 5 2.045 3.586 4.512 19 HB3 CYS 5 HB2 CYS 5 2.592 4.858 3.411 20 H SER 6 H SER 6 0.094 3.519 5.599 21 HA SER 6 HA SER 6 0.553 3.487 8.503 22 HB2 SER 6 HB3 SER 6 -2.240 3.884 7.356 23 HB3 SER 6 HB2 SER 6 -1.870 3.491 9.049 24 HG SER 6 HG SER 6 -2.161 5.753 8.706 25 HA PRO 7 HA PRO 7 0.132 -0.919 7.919 26 HB2 PRO 7 HB2 PRO 7 -1.604 -1.075 10.361 27 HB3 PRO 7 HB3 PRO 7 -0.064 -1.909 10.002 28 HG2 PRO 7 HG3 PRO 7 -0.186 0.106 11.751 29 HG3 PRO 7 HG2 PRO 7 1.221 -0.115 10.674 30 HD2 PRO 7 HD2 PRO 7 -1.051 1.852 10.478 31 HD3 PRO 7 HD3 PRO 7 0.688 2.070 10.111 32 H LEU 8 H LEU 8 -1.093 -1.269 6.180 33 HA LEU 8 HA LEU 8 -2.876 -1.548 4.783 34 HB2 LEU 8 HB3 LEU 8 -3.497 -2.989 7.127 35 HB3 LEU 8 HB2 LEU 8 -4.984 -2.151 6.655 36 HG LEU 8 HG LEU 8 -4.553 -3.080 4.301 37 HD11 LEU 8 HD11 LEU 8 -3.265 -5.183 4.222 38 HD12 LEU 8 HD12 LEU 8 -2.758 -4.929 5.909 39 HD13 LEU 8 HD13 LEU 8 -2.236 -3.792 4.643 40 HD21 LEU 8 HD21 LEU 8 -5.654 -5.203 4.880 41 HD22 LEU 8 HD22 LEU 8 -5.244 -4.939 6.592 42 HD23 LEU 8 HD23 LEU 8 -6.355 -3.824 5.761 43 H GLY 9 H GLY 9 -2.951 0.536 4.139 44 HA2 GLY 9 HA2 GLY 9 -5.430 1.915 4.592 45 HA3 GLY 9 HA3 GLY 9 -4.106 2.718 5.456 46 H GLU 10 H GLU 10 -2.131 3.292 4.103 47 HA GLU 10 HA GLU 10 -3.060 4.701 1.733 48 HB2 GLU 10 HB3 GLU 10 -0.435 4.445 3.180 49 HB3 GLU 10 HB2 GLU 10 -0.495 5.171 1.566 50 HG2 GLU 10 HG2 GLU 10 -0.609 6.971 3.082 51 HG3 GLU 10 HG3 GLU 10 -2.255 6.761 2.461 52 HA PRO 11 HA PRO 11 -2.466 1.351 -1.231 53 HB2 PRO 11 HB3 PRO 11 -2.229 3.674 -3.137 54 HB3 PRO 11 HB2 PRO 11 -3.253 2.214 -3.254 55 HG2 PRO 11 HG2 PRO 11 -4.304 4.558 -2.587 56 HG3 PRO 11 HG3 PRO 11 -4.831 3.057 -1.774 57 HD2 PRO 11 HD2 PRO 11 -3.012 5.231 -0.770 58 HD3 PRO 11 HD3 PRO 11 -4.248 4.274 0.102 59 H CYS 12 H CYS 12 -0.886 0.595 -2.787 60 HA CYS 12 HA CYS 12 1.836 1.569 -2.145 61 HB2 CYS 12 HB2 CYS 12 1.261 -0.830 -1.926 62 HB3 CYS 12 HB3 CYS 12 0.924 -0.898 -3.663 63 H ALA 13 H ALA 13 -0.361 2.515 -4.338 64 HA ALA 13 HA ALA 13 1.357 2.445 -6.733 65 HB1 ALA 13 HB1 ALA 13 -0.553 3.537 -7.842 66 HB2 ALA 13 HB2 ALA 13 -1.022 2.041 -6.999 67 HB3 ALA 13 HB3 ALA 13 -1.395 3.624 -6.276 68 H GLY 14 H GLY 14 1.809 4.052 -4.151 69 HA2 GLY 14 HA3 GLY 14 3.143 5.941 -3.805 70 HA3 GLY 14 HA2 GLY 14 2.924 6.393 -5.506 71 H ASN 15 H ASN 15 0.440 5.761 -3.029 72 HA ASN 15 HA ASN 15 -0.333 8.640 -3.186 73 HB2 ASN 15 HB3 ASN 15 -2.130 6.204 -3.393 74 HB3 ASN 15 HB2 ASN 15 -2.736 7.825 -3.005 75 HD21 ASN 15 HD21 ASN 15 -2.495 9.106 -6.280 76 HD22 ASN 15 HD22 ASN 15 -2.708 9.469 -4.582 77 HA PRO 16 HA PRO 16 0.178 10.173 -1.990 78 HB2 PRO 16 HB3 PRO 16 1.937 10.653 0.341 79 HB3 PRO 16 HB2 PRO 16 0.615 11.672 -0.296 80 HG2 PRO 16 HG2 PRO 16 0.433 10.359 2.057 81 HG3 PRO 16 HG3 PRO 16 -0.978 10.633 0.998 82 HD2 PRO 16 HD2 PRO 16 0.703 8.144 1.315 83 HD3 PRO 16 HD3 PRO 16 -1.079 8.318 1.235 84 H TRP 17 H TRP 17 2.027 7.617 -0.459 85 HA TRP 17 HA TRP 17 4.164 7.922 -2.498 86 HB2 TRP 17 HB2 TRP 17 4.613 7.781 0.495 87 HB3 TRP 17 HB3 TRP 17 5.874 7.393 -0.689 88 HD1 TRP 17 HD1 TRP 17 4.149 10.317 0.993 89 HE1 TRP 17 HE1 TRP 17 5.202 12.542 0.224 90 HE3 TRP 17 HE3 TRP 17 7.025 8.530 -2.849 91 HZ2 TRP 17 HZ2 TRP 17 7.008 13.393 -1.753 92 HZ3 TRP 17 HZ3 TRP 17 8.392 10.122 -4.134 93 HH2 TRP 17 HH2 TRP 17 8.384 12.521 -3.590 94 H GLY 18 H GLY 18 2.556 5.972 -0.004 95 HA2 GLY 18 HA3 GLY 18 2.226 3.648 -1.391 96 HA3 GLY 18 HA2 GLY 18 3.912 3.522 -0.855 97 H CYS 19 H CYS 19 3.126 1.594 0.219 98 HA CYS 19 HA CYS 19 1.593 2.126 2.713 99 HB2 CYS 19 HB2 CYS 19 1.585 0.020 0.831 100 HB3 CYS 19 HB3 CYS 19 2.333 -0.644 2.293 101 H CYS 20 H CYS 20 2.433 1.834 4.689 102 HA CYS 20 HA CYS 20 5.233 2.115 5.104 103 HB2 CYS 20 HB3 CYS 20 2.873 1.487 6.863 104 HB3 CYS 20 HB2 CYS 20 4.515 1.416 7.519 105 HA PRO 21 HA PRO 21 7.186 -1.873 5.078 106 HB2 PRO 21 HB2 PRO 21 8.261 -1.958 7.715 107 HB3 PRO 21 HB3 PRO 21 9.062 -1.306 6.257 108 HG2 PRO 21 HG2 PRO 21 7.537 0.125 8.400 109 HG3 PRO 21 HG3 PRO 21 9.006 0.620 7.511 110 HD2 PRO 21 HD3 PRO 21 6.630 1.678 6.912 111 HD3 PRO 21 HD2 PRO 21 7.790 1.263 5.610 112 H GLY 22 H GLY 22 6.668 -3.959 5.433 113 HA2 GLY 22 HA2 GLY 22 5.954 -5.727 6.986 114 HA3 GLY 22 HA3 GLY 22 4.831 -4.562 7.715 115 H CYS 23 H CYS 23 4.088 -3.471 5.058 116 HA CYS 23 HA CYS 23 2.132 -5.588 4.319 117 HB2 CYS 23 HB3 CYS 23 2.151 -2.686 3.441 118 HB3 CYS 23 HB2 CYS 23 0.805 -3.837 3.391 119 H ILE 24 H ILE 24 2.053 -6.505 2.335 120 HA ILE 24 HA ILE 24 4.201 -5.722 0.437 121 HB ILE 24 HB ILE 24 3.651 -7.907 -0.736 122 HG12 ILE 24 HG13 ILE 24 2.682 -9.563 1.176 123 HG13 ILE 24 HG12 ILE 24 1.752 -8.099 1.542 124 HG21 ILE 24 HG21 ILE 24 5.597 -7.582 0.744 125 HG22 ILE 24 HG22 ILE 24 4.613 -8.107 2.132 126 HG23 ILE 24 HG23 ILE 24 4.967 -9.246 0.810 127 HD11 ILE 24 HD11 ILE 24 0.530 -9.566 0.012 128 HD12 ILE 24 HD12 ILE 24 1.876 -9.488 -1.150 129 HD13 ILE 24 HD13 ILE 24 0.941 -8.022 -0.773 130 H CYS 25 H CYS 25 3.776 -5.671 -1.847 131 HA CYS 25 HA CYS 25 1.095 -4.481 -2.384 132 HB2 CYS 25 HB3 CYS 25 3.582 -4.218 -4.087 133 HB3 CYS 25 HB2 CYS 25 2.114 -3.228 -4.124 134 H ILE 26 H ILE 26 -0.188 -5.149 -4.002 135 HA ILE 26 HA ILE 26 0.675 -7.590 -5.476 136 HB ILE 26 HB ILE 26 -1.921 -7.879 -5.733 137 HG12 ILE 26 HG13 ILE 26 -2.527 -7.039 -3.086 138 HG13 ILE 26 HG12 ILE 26 -1.820 -5.643 -3.918 139 HG21 ILE 26 HG21 ILE 26 -0.382 -9.402 -4.572 140 HG22 ILE 26 HG22 ILE 26 -0.548 -8.425 -3.094 141 HG23 ILE 26 HG23 ILE 26 -1.959 -9.283 -3.757 142 HD11 ILE 26 HD11 ILE 26 -4.254 -5.674 -4.152 143 HD12 ILE 26 HD12 ILE 26 -3.455 -5.878 -5.730 144 HD13 ILE 26 HD13 ILE 26 -4.168 -7.285 -4.904 145 H TRP 27 H TRP 27 -1.846 -5.079 -5.812 146 HA TRP 27 HA TRP 27 -2.593 -3.832 -7.581 147 HB2 TRP 27 HB2 TRP 27 -0.185 -3.004 -7.337 148 HB3 TRP 27 HB3 TRP 27 0.201 -3.994 -8.750 149 HD1 TRP 27 HD1 TRP 27 -3.151 -2.580 -9.426 150 HE1 TRP 27 HE1 TRP 27 -3.025 -0.465 -10.893 151 HE3 TRP 27 HE3 TRP 27 1.867 -1.627 -9.000 152 HZ2 TRP 27 HZ2 TRP 27 -1.053 1.342 -11.740 153 HZ3 TRP 27 HZ3 TRP 27 2.795 0.325 -10.177 154 HH2 TRP 27 HH2 TRP 27 1.352 1.789 -11.527 155 H GLN 28 H GLN 28 -2.754 -6.757 -7.767 156 HA GLN 28 HA GLN 28 -2.519 -7.263 -10.673 157 HB2 GLN 28 HB3 GLN 28 -3.236 -9.014 -8.308 158 HB3 GLN 28 HB2 GLN 28 -3.409 -9.556 -9.986 159 HG2 GLN 28 HG2 GLN 28 -1.014 -9.194 -10.363 160 HG3 GLN 28 HG3 GLN 28 -0.827 -8.641 -8.688 161 HE21 GLN 28 HE21 GLN 28 -0.968 -10.141 -6.971 162 HE22 GLN 28 HE22 GLN 28 -0.829 -11.862 -7.247 163 H LEU 29 H LEU 29 -4.489 -5.446 -9.135 164 HA LEU 29 HA LEU 29 -6.744 -5.881 -10.903 165 HB2 LEU 29 HB3 LEU 29 -8.468 -6.052 -9.089 166 HB3 LEU 29 HB2 LEU 29 -7.486 -7.499 -9.333 167 HG LEU 29 HG LEU 29 -6.618 -5.601 -7.196 168 HD11 LEU 29 HD11 LEU 29 -9.060 -5.738 -6.884 169 HD12 LEU 29 HD12 LEU 29 -8.180 -6.574 -5.583 170 HD13 LEU 29 HD13 LEU 29 -8.955 -7.515 -6.881 171 HD21 LEU 29 HD21 LEU 29 -5.333 -7.638 -7.732 172 HD22 LEU 29 HD22 LEU 29 -6.768 -8.630 -7.379 173 HD23 LEU 29 HD23 LEU 29 -5.993 -7.690 -6.080 174 H THR 30 H THR 30 -5.589 -4.252 -7.927 175 HA THR 30 HA THR 30 -6.519 -1.684 -9.090 176 HB THR 30 HB THR 30 -7.034 -1.325 -6.395 177 HG1 THR 30 HG1 THR 30 -8.325 -3.082 -5.781 178 HG21 THR 30 HG21 THR 30 -9.400 -1.283 -7.070 179 HG22 THR 30 HG22 THR 30 -8.362 -0.461 -8.259 180 HG23 THR 30 HG23 THR 30 -8.975 -2.097 -8.595 181 H ASP 31 H ASP 31 -4.781 -3.214 -6.382 182 HA ASP 31 HA ASP 31 -2.429 -2.751 -5.952 183 HB2 ASP 31 HB2 ASP 31 -2.392 -0.775 -7.586 184 HB3 ASP 31 HB3 ASP 31 -3.002 0.217 -6.248 185 H ARG 32 H ARG 32 -4.036 -3.635 -4.312 186 HA ARG 32 HA ARG 32 -4.507 -1.712 -2.091 187 HB2 ARG 32 HB3 ARG 32 -5.528 -4.511 -2.652 188 HB3 ARG 32 HB2 ARG 32 -5.756 -3.697 -1.095 189 HG2 ARG 32 HG2 ARG 32 -7.027 -1.921 -2.154 190 HG3 ARG 32 HG3 ARG 32 -6.725 -2.617 -3.759 191 HD2 ARG 32 HD2 ARG 32 -8.916 -3.293 -3.156 192 HD3 ARG 32 HD3 ARG 32 -7.889 -4.722 -2.923 193 HE ARG 32 HE ARG 32 -7.974 -3.414 -0.448 194 HH11 ARG 32 HH11 ARG 32 -10.320 -4.927 -2.632 195 HH12 ARG 32 HH12 ARG 32 -11.401 -5.372 -1.331 196 HH21 ARG 32 HH21 ARG 32 -9.395 -4.007 1.202 197 HH22 ARG 32 HH22 ARG 32 -10.879 -4.854 0.828 198 H CYS 33 H CYS 33 -3.879 -2.215 0.066 199 HA CYS 33 HA CYS 33 -1.248 -3.533 0.179 200 HB2 CYS 33 HB3 CYS 33 -2.849 -1.971 2.229 201 HB3 CYS 33 HB2 CYS 33 -1.251 -2.672 2.533 202 H VAL 34 H VAL 34 -0.906 -5.532 0.792 203 HA VAL 34 HA VAL 34 -2.799 -6.825 2.683 204 HB VAL 34 HB VAL 34 -2.117 -8.963 1.140 205 HG11 VAL 34 HG11 VAL 34 -4.344 -8.373 2.011 206 HG12 VAL 34 HG12 VAL 34 -4.531 -7.186 0.698 207 HG13 VAL 34 HG13 VAL 34 -4.403 -8.920 0.318 208 HG21 VAL 34 HG21 VAL 34 -2.331 -8.508 -1.189 209 HG22 VAL 34 HG22 VAL 34 -1.079 -7.409 -0.563 210 HG23 VAL 34 HG23 VAL 34 -2.718 -6.796 -0.890 211 H GLY 35 H GLY 35 -1.882 -8.892 3.596 212 HA2 GLY 35 HA2 GLY 35 0.497 -10.017 3.572 213 HA3 GLY 35 HA3 GLY 35 0.998 -8.421 4.161 214 H ASN 36 H ASN 36 1.362 -8.418 6.250 215 HA ASN 36 HA ASN 36 -0.532 -9.889 8.033 216 HB2 ASN 36 HB3 ASN 36 1.831 -10.960 7.575 217 HB3 ASN 36 HB2 ASN 36 2.401 -9.708 8.694 218 HD21 ASN 36 HD21 ASN 36 1.808 -9.771 10.886 219 HD22 ASN 36 HD22 ASN 36 1.117 -11.204 11.613 220 H CYS 37 H CYS 37 -0.369 -7.065 7.199 221 HA CYS 37 HA CYS 37 0.280 -5.791 9.821 222 HB2 CYS 37 HB3 CYS 37 0.419 -3.671 8.533 223 HB3 CYS 37 HB2 CYS 37 1.622 -4.878 8.050 Start of MODEL 5 1 H1 GLU 2 H GLU 2 2.772 15.896 1.840 2 HA GLU 2 HA GLU 2 1.085 13.456 1.509 3 HB2 GLU 2 HB2 GLU 2 2.796 14.842 -0.571 4 HB3 GLU 2 HB3 GLU 2 2.284 13.154 -0.725 5 HG2 GLU 2 HG2 GLU 2 0.290 15.383 -0.310 6 HG3 GLU 2 HG3 GLU 2 0.908 14.982 -1.923 7 H GLY 3 H GLY 3 2.159 11.478 1.505 8 HA2 GLY 3 HA3 GLY 3 4.184 10.156 1.551 9 HA3 GLY 3 HA2 GLY 3 5.058 11.567 2.179 10 H GLU 4 H GLU 4 2.135 9.700 3.092 11 HA GLU 4 HA GLU 4 3.341 9.016 5.683 12 HB2 GLU 4 HB3 GLU 4 1.032 10.927 5.399 13 HB3 GLU 4 HB2 GLU 4 1.107 9.829 6.789 14 HG2 GLU 4 HG3 GLU 4 3.269 10.722 7.434 15 HG3 GLU 4 HG2 GLU 4 3.302 11.753 5.991 16 H CYS 5 H CYS 5 3.236 6.932 5.198 17 HA CYS 5 HA CYS 5 0.741 5.690 4.261 18 HB2 CYS 5 HB2 CYS 5 2.118 3.574 4.446 19 HB3 CYS 5 HB3 CYS 5 2.687 4.781 3.283 20 H SER 6 H SER 6 -0.329 3.991 5.311 21 HA SER 6 HA SER 6 0.046 3.925 8.272 22 HB2 SER 6 HB2 SER 6 -2.583 3.995 6.746 23 HB3 SER 6 HB3 SER 6 -2.415 3.771 8.500 24 HG SER 6 HG SER 6 -2.830 5.965 7.920 25 HA PRO 7 HA PRO 7 0.118 -0.523 7.959 26 HB2 PRO 7 HB2 PRO 7 -2.006 -0.707 10.072 27 HB3 PRO 7 HB3 PRO 7 -0.373 -1.434 10.029 28 HG2 PRO 7 HG2 PRO 7 -0.921 0.653 11.604 29 HG3 PRO 7 HG3 PRO 7 0.653 0.491 10.775 30 HD2 PRO 7 HD2 PRO 7 -1.680 2.268 10.107 31 HD3 PRO 7 HD3 PRO 7 0.078 2.589 9.992 32 H LEU 8 H LEU 8 -0.732 -0.950 6.022 33 HA LEU 8 HA LEU 8 -2.200 -1.496 4.357 34 HB2 LEU 8 HB3 LEU 8 -3.119 -2.896 6.664 35 HB3 LEU 8 HB2 LEU 8 -4.541 -2.302 5.795 36 HG LEU 8 HG LEU 8 -3.542 -3.330 3.700 37 HD11 LEU 8 HD11 LEU 8 -1.234 -3.584 4.534 38 HD12 LEU 8 HD12 LEU 8 -1.803 -4.768 5.734 39 HD13 LEU 8 HD13 LEU 8 -1.917 -5.137 3.997 40 HD21 LEU 8 HD21 LEU 8 -4.355 -5.578 4.283 41 HD22 LEU 8 HD22 LEU 8 -4.315 -5.136 6.007 42 HD23 LEU 8 HD23 LEU 8 -5.428 -4.298 4.899 43 H GLY 9 H GLY 9 -2.454 0.519 3.546 44 HA2 GLY 9 HA3 GLY 9 -5.104 1.629 3.621 45 HA3 GLY 9 HA2 GLY 9 -4.007 2.591 4.624 46 H GLU 10 H GLU 10 -1.930 3.372 3.518 47 HA GLU 10 HA GLU 10 -2.603 4.971 1.290 48 HB2 GLU 10 HB2 GLU 10 -0.299 4.482 2.894 49 HB3 GLU 10 HB3 GLU 10 0.204 4.452 1.196 50 HG2 GLU 10 HG3 GLU 10 -1.337 6.670 1.165 51 HG3 GLU 10 HG2 GLU 10 -0.817 6.695 2.861 52 HA PRO 11 HA PRO 11 -2.206 2.230 -2.229 53 HB2 PRO 11 HB2 PRO 11 -1.860 4.505 -4.045 54 HB3 PRO 11 HB3 PRO 11 -3.307 3.489 -3.793 55 HG2 PRO 11 HG2 PRO 11 -3.152 6.120 -3.075 56 HG3 PRO 11 HG3 PRO 11 -4.211 4.924 -2.277 57 HD2 PRO 11 HD3 PRO 11 -1.530 5.982 -1.400 58 HD3 PRO 11 HD2 PRO 11 -3.006 5.682 -0.428 59 H CYS 12 H CYS 12 -0.693 1.390 -3.693 60 HA CYS 12 HA CYS 12 2.088 2.256 -3.202 61 HB2 CYS 12 HB3 CYS 12 1.098 -0.152 -4.752 62 HB3 CYS 12 HB2 CYS 12 2.727 0.131 -4.116 63 H ALA 13 H ALA 13 0.004 3.567 -5.155 64 HA ALA 13 HA ALA 13 1.944 3.780 -7.412 65 HB1 ALA 13 HB1 ALA 13 -0.071 4.077 -8.928 66 HB2 ALA 13 HB2 ALA 13 0.202 2.431 -8.307 67 HB3 ALA 13 HB3 ALA 13 -1.062 3.456 -7.586 68 H GLY 14 H GLY 14 2.700 5.753 -7.597 69 HA2 GLY 14 HA2 GLY 14 1.307 8.074 -8.044 70 HA3 GLY 14 HA3 GLY 14 1.379 7.993 -6.273 71 H ASN 15 H ASN 15 3.644 7.475 -5.406 72 HA ASN 15 HA ASN 15 5.485 9.426 -6.650 73 HB2 ASN 15 HB2 ASN 15 4.771 9.290 -4.132 74 HB3 ASN 15 HB3 ASN 15 6.023 8.037 -4.039 75 HD21 ASN 15 HD21 ASN 15 8.219 8.592 -4.381 76 HD22 ASN 15 HD22 ASN 15 8.764 10.252 -4.294 77 HA PRO 16 HA PRO 16 4.254 6.121 -5.760 78 HB2 PRO 16 HB3 PRO 16 5.197 3.450 -5.186 79 HB3 PRO 16 HB2 PRO 16 4.162 3.974 -6.543 80 HG2 PRO 16 HG2 PRO 16 6.760 3.019 -6.774 81 HG3 PRO 16 HG3 PRO 16 5.906 4.001 -7.996 82 HD2 PRO 16 HD3 PRO 16 7.916 4.854 -5.928 83 HD3 PRO 16 HD2 PRO 16 7.729 5.397 -7.625 84 H TRP 17 H TRP 17 3.412 5.991 -3.741 85 HA TRP 17 HA TRP 17 5.263 5.476 -1.463 86 HB2 TRP 17 HB2 TRP 17 3.864 7.255 -0.210 87 HB3 TRP 17 HB3 TRP 17 5.143 7.797 -1.302 88 HD1 TRP 17 HD1 TRP 17 1.534 6.847 -2.464 89 HE1 TRP 17 HE1 TRP 17 0.433 8.923 -3.524 90 HE3 TRP 17 HE3 TRP 17 5.191 10.285 -1.430 91 HZ2 TRP 17 HZ2 TRP 17 1.048 11.641 -3.850 92 HZ3 TRP 17 HZ3 TRP 17 4.849 12.615 -2.149 93 HH2 TRP 17 HH2 TRP 17 2.802 13.281 -3.341 94 H GLY 18 H GLY 18 4.411 3.356 -1.532 95 HA2 GLY 18 HA2 GLY 18 1.563 2.911 -1.130 96 HA3 GLY 18 HA3 GLY 18 2.840 1.683 -1.138 97 H CYS 19 H CYS 19 1.895 0.621 0.562 98 HA CYS 19 HA CYS 19 1.360 1.900 3.102 99 HB2 CYS 19 HB2 CYS 19 1.673 -1.036 2.414 100 HB3 CYS 19 HB3 CYS 19 0.957 -0.382 3.897 101 H CYS 20 H CYS 20 2.465 1.885 4.964 102 HA CYS 20 HA CYS 20 5.256 2.097 5.013 103 HB2 CYS 20 HB2 CYS 20 3.237 1.453 7.166 104 HB3 CYS 20 HB3 CYS 20 4.953 1.671 7.531 105 HA PRO 21 HA PRO 21 7.269 -1.870 5.024 106 HB2 PRO 21 HB2 PRO 21 8.688 -1.734 7.494 107 HB3 PRO 21 HB3 PRO 21 9.278 -1.210 5.891 108 HG2 PRO 21 HG3 PRO 21 8.030 0.395 8.086 109 HG3 PRO 21 HG2 PRO 21 9.364 0.821 6.978 110 HD2 PRO 21 HD3 PRO 21 6.916 1.817 6.611 111 HD3 PRO 21 HD2 PRO 21 7.890 1.289 5.203 112 H GLY 22 H GLY 22 6.513 -3.823 5.431 113 HA2 GLY 22 HA2 GLY 22 6.155 -5.450 7.380 114 HA3 GLY 22 HA3 GLY 22 4.969 -4.260 7.951 115 H CYS 23 H CYS 23 4.251 -3.649 5.082 116 HA CYS 23 HA CYS 23 2.619 -6.099 4.526 117 HB2 CYS 23 HB2 CYS 23 1.670 -3.408 3.641 118 HB3 CYS 23 HB3 CYS 23 0.738 -4.833 4.124 119 H ILE 24 H ILE 24 2.172 -6.564 2.322 120 HA ILE 24 HA ILE 24 4.141 -5.320 0.459 121 HB ILE 24 HB ILE 24 3.699 -7.437 -0.959 122 HG12 ILE 24 HG13 ILE 24 3.326 -9.422 0.790 123 HG13 ILE 24 HG12 ILE 24 2.356 -8.187 1.608 124 HG21 ILE 24 HG21 ILE 24 5.794 -6.909 0.228 125 HG22 ILE 24 HG22 ILE 24 5.451 -8.655 0.208 126 HG23 ILE 24 HG23 ILE 24 5.156 -7.707 1.686 127 HD11 ILE 24 HD11 ILE 24 0.971 -9.579 0.153 128 HD12 ILE 24 HD12 ILE 24 0.999 -7.892 -0.413 129 HD13 ILE 24 HD13 ILE 24 1.973 -9.127 -1.247 130 H CYS 25 H CYS 25 3.552 -5.093 -1.792 131 HA CYS 25 HA CYS 25 0.730 -4.178 -2.032 132 HB2 CYS 25 HB2 CYS 25 3.150 -3.596 -3.766 133 HB3 CYS 25 HB3 CYS 25 1.537 -2.898 -3.977 134 H ILE 26 H ILE 26 -0.649 -4.889 -3.576 135 HA ILE 26 HA ILE 26 0.193 -7.328 -5.046 136 HB ILE 26 HB ILE 26 -2.636 -6.279 -4.626 137 HG12 ILE 26 HG13 ILE 26 -1.736 -6.734 -2.423 138 HG13 ILE 26 HG12 ILE 26 -2.907 -7.982 -2.865 139 HG21 ILE 26 HG21 ILE 26 -2.337 -7.825 -6.525 140 HG22 ILE 26 HG22 ILE 26 -3.357 -8.515 -5.240 141 HG23 ILE 26 HG23 ILE 26 -1.665 -9.041 -5.412 142 HD11 ILE 26 HD11 ILE 26 -1.028 -9.526 -3.403 143 HD12 ILE 26 HD12 ILE 26 0.114 -8.280 -2.844 144 HD13 ILE 26 HD13 ILE 26 -1.045 -9.002 -1.702 145 H TRP 27 H TRP 27 -2.018 -4.550 -5.634 146 HA TRP 27 HA TRP 27 -2.475 -3.290 -7.487 147 HB2 TRP 27 HB2 TRP 27 -0.037 -2.743 -7.161 148 HB3 TRP 27 HB3 TRP 27 0.345 -3.927 -8.417 149 HD1 TRP 27 HD1 TRP 27 -2.587 -1.376 -8.744 150 HE1 TRP 27 HE1 TRP 27 -2.105 0.197 -10.728 151 HE3 TRP 27 HE3 TRP 27 2.149 -2.972 -9.877 152 HZ2 TRP 27 HZ2 TRP 27 0.005 0.679 -12.510 153 HZ3 TRP 27 HZ3 TRP 27 3.335 -1.892 -11.746 154 HH2 TRP 27 HH2 TRP 27 2.277 -0.088 -13.039 155 H GLN 28 H GLN 28 -2.883 -6.272 -7.551 156 HA GLN 28 HA GLN 28 -2.860 -6.743 -10.490 157 HB2 GLN 28 HB2 GLN 28 -3.439 -8.593 -8.156 158 HB3 GLN 28 HB3 GLN 28 -3.624 -9.061 -9.855 159 HG2 GLN 28 HG3 GLN 28 -1.228 -8.664 -10.230 160 HG3 GLN 28 HG2 GLN 28 -1.045 -8.157 -8.539 161 HE21 GLN 28 HE21 GLN 28 -1.571 -10.866 -10.729 162 HE22 GLN 28 HE22 GLN 28 -1.245 -12.129 -9.563 163 H LEU 29 H LEU 29 -4.606 -5.047 -8.572 164 HA LEU 29 HA LEU 29 -7.131 -5.486 -10.025 165 HB2 LEU 29 HB2 LEU 29 -6.931 -5.538 -6.996 166 HB3 LEU 29 HB3 LEU 29 -8.443 -5.289 -7.877 167 HG LEU 29 HG LEU 29 -6.813 -7.738 -8.467 168 HD11 LEU 29 HD11 LEU 29 -6.876 -7.607 -6.005 169 HD12 LEU 29 HD12 LEU 29 -7.875 -8.945 -6.622 170 HD13 LEU 29 HD13 LEU 29 -8.648 -7.441 -6.065 171 HD21 LEU 29 HD21 LEU 29 -8.840 -7.219 -9.777 172 HD22 LEU 29 HD22 LEU 29 -9.028 -8.717 -8.836 173 HD23 LEU 29 HD23 LEU 29 -9.800 -7.214 -8.278 174 H THR 30 H THR 30 -5.534 -3.650 -7.386 175 HA THR 30 HA THR 30 -6.110 -1.139 -8.813 176 HB THR 30 HB THR 30 -6.753 -0.349 -6.273 177 HG1 THR 30 HG1 THR 30 -8.208 -1.849 -5.432 178 HG21 THR 30 HG21 THR 30 -9.072 -0.207 -7.088 179 HG22 THR 30 HG22 THR 30 -8.664 -1.303 -8.429 180 HG23 THR 30 HG23 THR 30 -7.905 0.304 -8.332 181 H ASP 31 H ASP 31 -4.932 -2.405 -5.676 182 HA ASP 31 HA ASP 31 -2.262 -2.013 -5.665 183 HB2 ASP 31 HB2 ASP 31 -3.512 0.674 -5.743 184 HB3 ASP 31 HB3 ASP 31 -2.343 0.452 -4.427 185 H ARG 32 H ARG 32 -4.110 -3.518 -4.355 186 HA ARG 32 HA ARG 32 -4.548 -2.534 -1.632 187 HB2 ARG 32 HB2 ARG 32 -5.089 -5.162 -3.026 188 HB3 ARG 32 HB3 ARG 32 -5.381 -4.931 -1.294 189 HG2 ARG 32 HG2 ARG 32 -6.995 -3.176 -1.759 190 HG3 ARG 32 HG3 ARG 32 -6.633 -3.255 -3.495 191 HD2 ARG 32 HD3 ARG 32 -8.643 -4.476 -3.206 192 HD3 ARG 32 HD2 ARG 32 -7.366 -5.692 -3.400 193 HE ARG 32 HE ARG 32 -7.559 -5.346 -0.663 194 HH11 ARG 32 HH11 ARG 32 -10.838 -7.198 -2.145 195 HH12 ARG 32 HH12 ARG 32 -9.854 -6.229 -3.218 196 HH21 ARG 32 HH21 ARG 32 -8.856 -6.605 0.688 197 HH22 ARG 32 HH22 ARG 32 -10.275 -7.409 0.054 198 H CYS 33 H CYS 33 -3.557 -3.086 0.221 199 HA CYS 33 HA CYS 33 -0.958 -4.516 -0.041 200 HB2 CYS 33 HB2 CYS 33 -2.056 -2.693 2.120 201 HB3 CYS 33 HB3 CYS 33 -0.492 -3.516 2.209 202 H VAL 34 H VAL 34 -0.625 -6.445 0.829 203 HA VAL 34 HA VAL 34 -2.476 -7.412 2.960 204 HB VAL 34 HB VAL 34 -1.507 -9.437 0.963 205 HG11 VAL 34 HG11 VAL 34 -4.143 -9.972 1.573 206 HG12 VAL 34 HG12 VAL 34 -2.724 -10.642 2.412 207 HG13 VAL 34 HG13 VAL 34 -3.545 -9.203 3.062 208 HG21 VAL 34 HG21 VAL 34 -2.446 -7.671 -0.489 209 HG22 VAL 34 HG22 VAL 34 -3.966 -7.739 0.434 210 HG23 VAL 34 HG23 VAL 34 -3.430 -9.154 -0.503 211 H GLY 35 H GLY 35 -1.535 -9.546 3.926 212 HA2 GLY 35 HA3 GLY 35 0.797 -10.665 4.052 213 HA3 GLY 35 HA2 GLY 35 1.360 -9.020 4.403 214 H ASN 36 H ASN 36 1.930 -8.943 6.462 215 HA ASN 36 HA ASN 36 -0.099 -9.709 8.490 216 HB2 ASN 36 HB3 ASN 36 2.780 -10.678 8.467 217 HB3 ASN 36 HB2 ASN 36 1.742 -10.712 9.906 218 HD21 ASN 36 HD21 ASN 36 -0.024 -12.148 10.013 219 HD22 ASN 36 HD22 ASN 36 -0.171 -13.502 8.916 220 H CYS 37 H CYS 37 -0.425 -7.434 8.568 221 HA CYS 37 HA CYS 37 1.460 -6.119 10.431 222 HB2 CYS 37 HB3 CYS 37 1.261 -3.976 9.084 223 HB3 CYS 37 HB2 CYS 37 2.308 -5.238 8.414 Start of MODEL 6 1 H1 GLU 2 H GLU 2 9.318 13.373 5.028 2 HA GLU 2 HA GLU 2 7.934 12.348 2.602 3 HB2 GLU 2 HB3 GLU 2 10.715 11.928 3.726 4 HB3 GLU 2 HB2 GLU 2 10.053 10.939 2.414 5 HG2 GLU 2 HG2 GLU 2 9.759 12.939 1.032 6 HG3 GLU 2 HG3 GLU 2 10.400 13.950 2.341 7 H GLY 3 H GLY 3 6.847 10.500 2.576 8 HA2 GLY 3 HA3 GLY 3 6.506 8.208 3.205 9 HA3 GLY 3 HA2 GLY 3 7.326 8.528 4.746 10 H GLU 4 H GLU 4 4.365 8.120 3.195 11 HA GLU 4 HA GLU 4 2.925 8.854 5.667 12 HB2 GLU 4 HB3 GLU 4 2.467 10.112 2.980 13 HB3 GLU 4 HB2 GLU 4 1.078 9.800 4.037 14 HG2 GLU 4 HG3 GLU 4 2.076 11.126 5.810 15 HG3 GLU 4 HG2 GLU 4 3.538 11.371 4.835 16 H CYS 5 H CYS 5 2.663 6.747 6.082 17 HA CYS 5 HA CYS 5 0.592 5.365 4.464 18 HB2 CYS 5 HB2 CYS 5 1.819 3.211 4.755 19 HB3 CYS 5 HB3 CYS 5 2.605 4.353 3.652 20 H SER 6 H SER 6 -0.274 3.443 5.619 21 HA SER 6 HA SER 6 -0.101 3.622 8.577 22 HB2 SER 6 HB3 SER 6 -1.996 5.101 7.736 23 HB3 SER 6 HB2 SER 6 -2.760 3.627 7.103 24 HG SER 6 HG SER 6 -3.417 4.319 9.282 25 HA PRO 7 HA PRO 7 -0.200 -0.854 8.307 26 HB2 PRO 7 HB3 PRO 7 -2.244 -0.818 10.511 27 HB3 PRO 7 HB2 PRO 7 -0.704 -1.719 10.409 28 HG2 PRO 7 HG2 PRO 7 -0.949 0.432 11.969 29 HG3 PRO 7 HG3 PRO 7 0.553 0.114 11.058 30 HD2 PRO 7 HD2 PRO 7 -1.620 2.112 10.509 31 HD3 PRO 7 HD3 PRO 7 0.147 2.237 10.252 32 H LEU 8 H LEU 8 -1.159 -1.198 6.398 33 HA LEU 8 HA LEU 8 -2.731 -1.620 4.790 34 HB2 LEU 8 HB2 LEU 8 -3.717 -2.929 7.165 35 HB3 LEU 8 HB3 LEU 8 -5.075 -2.341 6.194 36 HG LEU 8 HG LEU 8 -3.822 -3.482 4.213 37 HD11 LEU 8 HD11 LEU 8 -2.521 -5.466 4.879 38 HD12 LEU 8 HD12 LEU 8 -1.741 -3.955 5.404 39 HD13 LEU 8 HD13 LEU 8 -2.624 -4.956 6.581 40 HD21 LEU 8 HD21 LEU 8 -4.985 -5.596 4.700 41 HD22 LEU 8 HD22 LEU 8 -5.990 -4.177 5.078 42 HD23 LEU 8 HD23 LEU 8 -5.196 -5.081 6.390 43 H GLY 9 H GLY 9 -3.025 0.330 3.916 44 HA2 GLY 9 HA3 GLY 9 -5.548 1.625 4.219 45 HA3 GLY 9 HA2 GLY 9 -4.338 2.502 5.169 46 H GLU 10 H GLU 10 -2.320 3.252 3.961 47 HA GLU 10 HA GLU 10 -3.148 4.796 1.711 48 HB2 GLU 10 HB3 GLU 10 -0.550 4.223 3.057 49 HB3 GLU 10 HB2 GLU 10 -0.502 4.924 1.431 50 HG2 GLU 10 HG3 GLU 10 -0.420 6.757 2.920 51 HG3 GLU 10 HG2 GLU 10 -2.071 6.724 2.277 52 HA PRO 11 HA PRO 11 -2.872 2.035 -1.742 53 HB2 PRO 11 HB2 PRO 11 -2.324 3.865 -3.762 54 HB3 PRO 11 HB3 PRO 11 -3.942 3.610 -3.047 55 HG2 PRO 11 HG3 PRO 11 -1.905 5.729 -2.453 56 HG3 PRO 11 HG2 PRO 11 -3.676 5.873 -2.636 57 HD2 PRO 11 HD3 PRO 11 -2.460 5.817 -0.215 58 HD3 PRO 11 HD2 PRO 11 -4.082 5.108 -0.479 59 H CYS 12 H CYS 12 -1.443 1.265 -3.467 60 HA CYS 12 HA CYS 12 1.388 1.445 -2.636 61 HB2 CYS 12 HB2 CYS 12 0.286 -0.745 -2.940 62 HB3 CYS 12 HB3 CYS 12 0.024 -0.369 -4.650 63 H ALA 13 H ALA 13 -0.619 2.943 -4.924 64 HA ALA 13 HA ALA 13 1.527 3.231 -6.943 65 HB1 ALA 13 HB1 ALA 13 -0.546 4.770 -7.852 66 HB2 ALA 13 HB2 ALA 13 -0.308 3.048 -8.232 67 HB3 ALA 13 HB3 ALA 13 -1.405 3.526 -6.914 68 H GLY 14 H GLY 14 3.013 4.698 -6.618 69 HA2 GLY 14 HA3 GLY 14 2.840 7.373 -6.746 70 HA3 GLY 14 HA2 GLY 14 2.407 7.113 -5.044 71 H ASN 15 H ASN 15 3.944 5.501 -3.909 72 HA ASN 15 HA ASN 15 5.994 5.199 -2.925 73 HB2 ASN 15 HB3 ASN 15 6.265 4.112 -5.304 74 HB3 ASN 15 HB2 ASN 15 7.372 5.469 -5.585 75 HD21 ASN 15 HD21 ASN 15 6.785 2.522 -3.739 76 HD22 ASN 15 HD22 ASN 15 8.413 2.346 -3.124 77 HA PRO 16 HA PRO 16 7.351 5.429 -1.442 78 HB2 PRO 16 HB3 PRO 16 7.730 7.401 0.701 79 HB3 PRO 16 HB2 PRO 16 8.891 6.192 0.085 80 HG2 PRO 16 HG2 PRO 16 9.198 8.881 -0.243 81 HG3 PRO 16 HG3 PRO 16 9.834 7.667 -1.388 82 HD2 PRO 16 HD2 PRO 16 7.316 9.323 -1.580 83 HD3 PRO 16 HD3 PRO 16 8.545 8.960 -2.833 84 H TRP 17 H TRP 17 4.902 6.981 -2.314 85 HA TRP 17 HA TRP 17 3.341 7.362 0.150 86 HB2 TRP 17 HB3 TRP 17 2.680 7.634 -2.799 87 HB3 TRP 17 HB2 TRP 17 1.497 7.885 -1.503 88 HD1 TRP 17 HD1 TRP 17 4.747 9.442 -2.915 89 HE1 TRP 17 HE1 TRP 17 4.889 11.911 -2.178 90 HE3 TRP 17 HE3 TRP 17 0.689 9.556 0.206 91 HZ2 TRP 17 HZ2 TRP 17 3.453 13.645 -0.499 92 HZ3 TRP 17 HZ3 TRP 17 0.138 11.668 1.343 93 HH2 TRP 17 HH2 TRP 17 1.502 13.684 0.994 94 H GLY 18 H GLY 18 4.365 4.666 -0.369 95 HA2 GLY 18 HA3 GLY 18 1.960 3.115 -1.118 96 HA3 GLY 18 HA2 GLY 18 3.582 2.473 -0.794 97 H CYS 19 H CYS 19 2.680 0.846 0.508 98 HA CYS 19 HA CYS 19 1.410 1.724 3.040 99 HB2 CYS 19 HB2 CYS 19 1.151 -0.759 3.397 100 HB3 CYS 19 HB3 CYS 19 0.263 -0.088 2.019 101 H CYS 20 H CYS 20 2.291 1.455 5.005 102 HA CYS 20 HA CYS 20 5.048 1.683 5.402 103 HB2 CYS 20 HB3 CYS 20 2.868 0.668 7.244 104 HB3 CYS 20 HB2 CYS 20 4.525 0.987 7.776 105 HA PRO 21 HA PRO 21 7.171 -2.192 5.028 106 HB2 PRO 21 HB2 PRO 21 8.432 -2.333 7.575 107 HB3 PRO 21 HB3 PRO 21 9.090 -1.566 6.102 108 HG2 PRO 21 HG3 PRO 21 7.630 -0.338 8.407 109 HG3 PRO 21 HG2 PRO 21 9.015 0.289 7.470 110 HD2 PRO 21 HD3 PRO 21 6.554 1.236 7.068 111 HD3 PRO 21 HD2 PRO 21 7.646 0.952 5.676 112 H GLY 22 H GLY 22 7.053 -4.372 5.517 113 HA2 GLY 22 HA3 GLY 22 6.492 -6.183 7.057 114 HA3 GLY 22 HA2 GLY 22 5.263 -5.129 7.783 115 H CYS 23 H CYS 23 4.301 -4.137 5.201 116 HA CYS 23 HA CYS 23 2.677 -6.514 4.438 117 HB2 CYS 23 HB3 CYS 23 2.211 -3.534 4.343 118 HB3 CYS 23 HB2 CYS 23 1.255 -4.639 3.342 119 H ILE 24 H ILE 24 2.132 -6.875 2.223 120 HA ILE 24 HA ILE 24 4.292 -5.980 0.374 121 HB ILE 24 HB ILE 24 3.525 -8.023 -1.020 122 HG12 ILE 24 HG12 ILE 24 2.831 -9.896 0.740 123 HG13 ILE 24 HG13 ILE 24 2.071 -8.520 1.557 124 HG21 ILE 24 HG21 ILE 24 5.672 -7.820 0.173 125 HG22 ILE 24 HG22 ILE 24 4.908 -8.480 1.638 126 HG23 ILE 24 HG23 ILE 24 5.053 -9.488 0.178 127 HD11 ILE 24 HD11 ILE 24 0.480 -9.679 0.105 128 HD12 ILE 24 HD12 ILE 24 0.783 -8.027 -0.484 129 HD13 ILE 24 HD13 ILE 24 1.548 -9.416 -1.294 130 H CYS 25 H CYS 25 3.764 -5.712 -1.890 131 HA CYS 25 HA CYS 25 1.175 -4.291 -2.178 132 HB2 CYS 25 HB2 CYS 25 3.267 -3.109 -2.728 133 HB3 CYS 25 HB3 CYS 25 3.641 -4.332 -3.952 134 H ILE 26 H ILE 26 -0.380 -4.813 -3.610 135 HA ILE 26 HA ILE 26 -0.094 -7.431 -4.978 136 HB ILE 26 HB ILE 26 -2.622 -5.809 -4.449 137 HG12 ILE 26 HG12 ILE 26 -1.693 -6.482 -2.320 138 HG13 ILE 26 HG13 ILE 26 -3.149 -7.423 -2.663 139 HG21 ILE 26 HG21 ILE 26 -2.793 -7.354 -6.366 140 HG22 ILE 26 HG22 ILE 26 -3.859 -7.817 -5.018 141 HG23 ILE 26 HG23 ILE 26 -2.342 -8.705 -5.299 142 HD11 ILE 26 HD11 ILE 26 -1.699 -9.350 -3.321 143 HD12 ILE 26 HD12 ILE 26 -1.478 -8.845 -1.629 144 HD13 ILE 26 HD13 ILE 26 -0.273 -8.389 -2.858 145 H TRP 27 H TRP 27 -2.001 -4.481 -5.748 146 HA TRP 27 HA TRP 27 -2.360 -3.336 -7.698 147 HB2 TRP 27 HB3 TRP 27 0.151 -2.916 -7.230 148 HB3 TRP 27 HB2 TRP 27 0.444 -4.027 -8.574 149 HD1 TRP 27 HD1 TRP 27 -2.536 -2.155 -9.633 150 HE1 TRP 27 HE1 TRP 27 -1.939 -0.162 -11.156 151 HE3 TRP 27 HE3 TRP 27 2.499 -1.934 -8.699 152 HZ2 TRP 27 HZ2 TRP 27 0.360 1.281 -11.853 153 HZ3 TRP 27 HZ3 TRP 27 3.830 -0.207 -9.845 154 HH2 TRP 27 HH2 TRP 27 2.772 1.377 -11.401 155 H GLN 28 H GLN 28 -2.758 -6.320 -7.647 156 HA GLN 28 HA GLN 28 -2.562 -6.936 -10.550 157 HB2 GLN 28 HB3 GLN 28 -3.191 -8.653 -8.129 158 HB3 GLN 28 HB2 GLN 28 -3.374 -9.221 -9.797 159 HG2 GLN 28 HG2 GLN 28 -0.988 -8.832 -10.205 160 HG3 GLN 28 HG3 GLN 28 -0.791 -8.252 -8.539 161 HE21 GLN 28 HE21 GLN 28 -0.896 -9.730 -6.799 162 HE22 GLN 28 HE22 GLN 28 -0.736 -11.454 -7.053 163 H LEU 29 H LEU 29 -4.419 -5.148 -8.851 164 HA LEU 29 HA LEU 29 -6.855 -5.699 -10.403 165 HB2 LEU 29 HB3 LEU 29 -6.915 -6.885 -8.052 166 HB3 LEU 29 HB2 LEU 29 -7.170 -5.247 -7.440 167 HG LEU 29 HG LEU 29 -8.955 -6.187 -9.643 168 HD11 LEU 29 HD11 LEU 29 -8.856 -8.118 -8.113 169 HD12 LEU 29 HD12 LEU 29 -9.270 -7.051 -6.749 170 HD13 LEU 29 HD13 LEU 29 -10.444 -7.315 -8.061 171 HD21 LEU 29 HD21 LEU 29 -9.115 -3.901 -8.727 172 HD22 LEU 29 HD22 LEU 29 -10.596 -4.841 -8.422 173 HD23 LEU 29 HD23 LEU 29 -9.423 -4.578 -7.110 174 H THR 30 H THR 30 -5.364 -3.710 -7.810 175 HA THR 30 HA THR 30 -5.984 -1.294 -9.377 176 HB THR 30 HB THR 30 -6.616 -0.380 -6.871 177 HG1 THR 30 HG1 THR 30 -8.055 -1.857 -5.960 178 HG21 THR 30 HG21 THR 30 -8.939 -0.304 -7.684 179 HG22 THR 30 HG22 THR 30 -8.522 -1.457 -8.974 180 HG23 THR 30 HG23 THR 30 -7.783 0.162 -8.955 181 H ASP 31 H ASP 31 -4.795 -2.216 -6.110 182 HA ASP 31 HA ASP 31 -2.102 -1.757 -6.234 183 HB2 ASP 31 HB3 ASP 31 -3.479 0.836 -6.502 184 HB3 ASP 31 HB2 ASP 31 -2.343 0.786 -5.139 185 H ARG 32 H ARG 32 -4.250 -3.033 -4.736 186 HA ARG 32 HA ARG 32 -4.325 -1.906 -2.054 187 HB2 ARG 32 HB3 ARG 32 -5.203 -4.551 -3.236 188 HB3 ARG 32 HB2 ARG 32 -5.327 -4.192 -1.506 189 HG2 ARG 32 HG3 ARG 32 -6.763 -2.252 -2.010 190 HG3 ARG 32 HG2 ARG 32 -6.652 -2.630 -3.742 191 HD2 ARG 32 HD2 ARG 32 -7.693 -4.819 -3.337 192 HD3 ARG 32 HD3 ARG 32 -7.802 -4.453 -1.603 193 HE ARG 32 HE ARG 32 -9.092 -2.382 -3.075 194 HH11 ARG 32 HH11 ARG 32 -9.559 -5.794 -2.232 195 HH12 ARG 32 HH12 ARG 32 -11.303 -5.688 -2.335 196 HH21 ARG 32 HH21 ARG 32 -11.342 -2.289 -3.198 197 HH22 ARG 32 HH22 ARG 32 -12.305 -3.715 -2.879 198 H CYS 33 H CYS 33 -3.324 -2.559 -0.201 199 HA CYS 33 HA CYS 33 -0.936 -4.317 -0.579 200 HB2 CYS 33 HB3 CYS 33 -0.522 -1.885 -0.058 201 HB3 CYS 33 HB2 CYS 33 -1.337 -2.143 1.493 202 H VAL 34 H VAL 34 -0.846 -6.151 0.528 203 HA VAL 34 HA VAL 34 -2.586 -6.437 2.943 204 HB VAL 34 HB VAL 34 -2.052 -8.906 1.347 205 HG11 VAL 34 HG11 VAL 34 -3.292 -8.927 3.483 206 HG12 VAL 34 HG12 VAL 34 -4.278 -9.516 2.124 207 HG13 VAL 34 HG13 VAL 34 -4.531 -7.873 2.760 208 HG21 VAL 34 HG21 VAL 34 -4.160 -8.470 -0.017 209 HG22 VAL 34 HG22 VAL 34 -2.691 -7.599 -0.520 210 HG23 VAL 34 HG23 VAL 34 -3.956 -6.752 0.404 211 H GLY 35 H GLY 35 -1.917 -8.415 4.273 212 HA2 GLY 35 HA2 GLY 35 0.174 -9.899 4.545 213 HA3 GLY 35 HA3 GLY 35 1.062 -8.363 4.483 214 H ASN 36 H ASN 36 1.916 -8.368 6.504 215 HA ASN 36 HA ASN 36 -0.023 -7.964 8.718 216 HB2 ASN 36 HB2 ASN 36 2.306 -9.910 8.749 217 HB3 ASN 36 HB3 ASN 36 1.512 -9.319 10.222 218 HD21 ASN 36 HD21 ASN 36 -0.630 -9.958 10.696 219 HD22 ASN 36 HD22 ASN 36 -1.372 -11.330 9.904 220 H CYS 37 H CYS 37 0.445 -5.765 8.458 221 HA CYS 37 HA CYS 37 3.079 -4.980 9.620 222 HB2 CYS 37 HB3 CYS 37 3.060 -2.966 8.203 223 HB3 CYS 37 HB2 CYS 37 3.137 -4.459 7.253 Start of MODEL 7 1 H1 GLU 2 H GLU 2 10.217 11.242 7.631 2 HA GLU 2 HA GLU 2 8.155 11.840 5.556 3 HB2 GLU 2 HB3 GLU 2 10.809 10.417 5.218 4 HB3 GLU 2 HB2 GLU 2 9.466 10.225 4.078 5 HG2 GLU 2 HG2 GLU 2 9.486 12.635 3.629 6 HG3 GLU 2 HG3 GLU 2 10.825 12.844 4.774 7 H GLY 3 H GLY 3 6.539 10.437 5.423 8 HA2 GLY 3 HA2 GLY 3 6.256 7.827 5.425 9 HA3 GLY 3 HA3 GLY 3 6.697 8.010 7.134 10 H GLU 4 H GLU 4 4.283 8.624 4.661 11 HA GLU 4 HA GLU 4 2.341 9.407 6.790 12 HB2 GLU 4 HB3 GLU 4 0.978 10.374 4.918 13 HB3 GLU 4 HB2 GLU 4 2.533 11.169 5.200 14 HG2 GLU 4 HG3 GLU 4 3.495 9.943 3.270 15 HG3 GLU 4 HG2 GLU 4 1.904 9.216 2.968 16 H CYS 5 H CYS 5 3.189 6.669 6.144 17 HA CYS 5 HA CYS 5 0.796 5.485 4.865 18 HB2 CYS 5 HB2 CYS 5 2.022 3.359 5.079 19 HB3 CYS 5 HB3 CYS 5 2.931 4.585 4.182 20 H SER 6 H SER 6 -0.292 3.676 5.851 21 HA SER 6 HA SER 6 -0.259 3.695 8.828 22 HB2 SER 6 HB2 SER 6 -2.698 3.989 7.039 23 HB3 SER 6 HB3 SER 6 -2.771 3.617 8.775 24 HG SER 6 HG SER 6 -2.975 5.874 8.340 25 HA PRO 7 HA PRO 7 -0.484 -0.756 8.503 26 HB2 PRO 7 HB3 PRO 7 -2.747 -0.780 10.467 27 HB3 PRO 7 HB2 PRO 7 -1.169 -1.616 10.547 28 HG2 PRO 7 HG2 PRO 7 -1.699 0.515 12.072 29 HG3 PRO 7 HG3 PRO 7 -0.081 0.255 11.364 30 HD2 PRO 7 HD2 PRO 7 -2.251 2.157 10.511 31 HD3 PRO 7 HD3 PRO 7 -0.475 2.380 10.540 32 H LEU 8 H LEU 8 -1.246 -1.100 6.509 33 HA LEU 8 HA LEU 8 -2.644 -1.465 4.741 34 HB2 LEU 8 HB3 LEU 8 -3.767 -2.905 6.917 35 HB3 LEU 8 HB2 LEU 8 -5.107 -2.171 6.024 36 HG LEU 8 HG LEU 8 -3.993 -3.133 3.917 37 HD11 LEU 8 HD11 LEU 8 -1.834 -3.700 4.964 38 HD12 LEU 8 HD12 LEU 8 -2.658 -4.876 6.016 39 HD13 LEU 8 HD13 LEU 8 -2.619 -5.131 4.255 40 HD21 LEU 8 HD21 LEU 8 -5.112 -5.299 4.255 41 HD22 LEU 8 HD22 LEU 8 -5.210 -4.966 6.000 42 HD23 LEU 8 HD23 LEU 8 -6.095 -3.939 4.847 43 H GLY 9 H GLY 9 -2.681 0.599 4.050 44 HA2 GLY 9 HA2 GLY 9 -5.262 1.905 4.063 45 HA3 GLY 9 HA3 GLY 9 -4.080 2.770 5.061 46 H GLU 10 H GLU 10 -1.972 3.398 3.960 47 HA GLU 10 HA GLU 10 -2.599 4.782 1.520 48 HB2 GLU 10 HB2 GLU 10 -0.140 4.380 3.167 49 HB3 GLU 10 HB3 GLU 10 0.057 4.971 1.508 50 HG2 GLU 10 HG3 GLU 10 -1.801 6.272 3.520 51 HG3 GLU 10 HG2 GLU 10 -0.098 6.727 3.338 52 HA PRO 11 HA PRO 11 -2.160 1.393 -1.443 53 HB2 PRO 11 HB2 PRO 11 -1.795 3.741 -3.308 54 HB3 PRO 11 HB3 PRO 11 -2.865 2.316 -3.464 55 HG2 PRO 11 HG3 PRO 11 -3.850 4.674 -2.771 56 HG3 PRO 11 HG2 PRO 11 -4.442 3.175 -2.002 57 HD2 PRO 11 HD2 PRO 11 -2.587 5.279 -0.921 58 HD3 PRO 11 HD3 PRO 11 -3.853 4.329 -0.086 59 H CYS 12 H CYS 12 -0.606 0.760 -3.225 60 HA CYS 12 HA CYS 12 2.144 1.330 -2.329 61 HB2 CYS 12 HB3 CYS 12 1.278 -0.989 -2.762 62 HB3 CYS 12 HB2 CYS 12 1.195 -0.573 -4.482 63 H ALA 13 H ALA 13 0.017 2.307 -4.881 64 HA ALA 13 HA ALA 13 2.262 3.134 -6.628 65 HB1 ALA 13 HB1 ALA 13 0.297 3.909 -8.108 66 HB2 ALA 13 HB2 ALA 13 0.536 2.160 -7.884 67 HB3 ALA 13 HB3 ALA 13 -0.734 3.008 -6.971 68 H GLY 14 H GLY 14 3.130 5.072 -6.566 69 HA2 GLY 14 HA2 GLY 14 2.111 7.535 -6.682 70 HA3 GLY 14 HA3 GLY 14 1.805 7.179 -4.971 71 H ASN 15 H ASN 15 3.870 6.079 -3.927 72 HA ASN 15 HA ASN 15 5.847 6.613 -2.899 73 HB2 ASN 15 HB2 ASN 15 7.854 6.460 -4.299 74 HB3 ASN 15 HB3 ASN 15 6.678 5.188 -4.664 75 HD21 ASN 15 HD21 ASN 15 5.604 5.172 -6.676 76 HD22 ASN 15 HD22 ASN 15 6.167 6.133 -8.025 77 HA PRO 16 HA PRO 16 6.722 7.345 -1.397 78 HB2 PRO 16 HB2 PRO 16 6.785 9.504 0.527 79 HB3 PRO 16 HB3 PRO 16 8.166 8.564 -0.103 80 HG2 PRO 16 HG2 PRO 16 7.714 11.262 -0.573 81 HG3 PRO 16 HG3 PRO 16 8.756 10.197 -1.556 82 HD2 PRO 16 HD2 PRO 16 5.924 11.089 -2.067 83 HD3 PRO 16 HD3 PRO 16 7.290 10.886 -3.210 84 H TRP 17 H TRP 17 4.370 6.929 -2.037 85 HA TRP 17 HA TRP 17 2.580 7.840 0.178 86 HB2 TRP 17 HB2 TRP 17 1.921 7.577 -2.773 87 HB3 TRP 17 HB3 TRP 17 0.689 7.713 -1.507 88 HD1 TRP 17 HD1 TRP 17 3.656 9.783 -2.965 89 HE1 TRP 17 HE1 TRP 17 3.144 12.292 -2.667 90 HE3 TRP 17 HE3 TRP 17 -0.723 9.379 -0.340 91 HZ2 TRP 17 HZ2 TRP 17 1.138 13.860 -1.485 92 HZ3 TRP 17 HZ3 TRP 17 -1.885 11.442 0.334 93 HH2 TRP 17 HH2 TRP 17 -0.964 13.652 -0.232 94 H GLY 18 H GLY 18 4.286 5.407 -0.256 95 HA2 GLY 18 HA3 GLY 18 2.423 3.229 -0.833 96 HA3 GLY 18 HA2 GLY 18 4.112 3.084 -0.319 97 H CYS 19 H CYS 19 2.658 1.268 0.716 98 HA CYS 19 HA CYS 19 1.478 2.130 3.274 99 HB2 CYS 19 HB3 CYS 19 1.086 -0.360 3.533 100 HB3 CYS 19 HB2 CYS 19 0.262 0.426 2.176 101 H CYS 20 H CYS 20 2.213 1.556 5.279 102 HA CYS 20 HA CYS 20 4.972 1.692 5.794 103 HB2 CYS 20 HB3 CYS 20 2.699 0.596 7.467 104 HB3 CYS 20 HB2 CYS 20 4.344 0.815 8.077 105 HA PRO 21 HA PRO 21 6.908 -2.238 5.121 106 HB2 PRO 21 HB3 PRO 21 8.236 -2.588 7.598 107 HB3 PRO 21 HB2 PRO 21 8.877 -1.715 6.177 108 HG2 PRO 21 HG3 PRO 21 7.498 -0.661 8.619 109 HG3 PRO 21 HG2 PRO 21 8.881 0.014 7.712 110 HD2 PRO 21 HD2 PRO 21 6.433 1.059 7.440 111 HD3 PRO 21 HD3 PRO 21 7.505 0.864 6.017 112 H GLY 22 H GLY 22 6.413 -4.347 5.282 113 HA2 GLY 22 HA3 GLY 22 5.922 -6.256 6.824 114 HA3 GLY 22 HA2 GLY 22 4.746 -5.192 7.616 115 H CYS 23 H CYS 23 4.422 -4.329 4.512 116 HA CYS 23 HA CYS 23 2.493 -6.517 3.856 117 HB2 CYS 23 HB3 CYS 23 2.096 -3.517 3.714 118 HB3 CYS 23 HB2 CYS 23 1.085 -4.664 2.820 119 H ILE 24 H ILE 24 2.240 -7.048 1.713 120 HA ILE 24 HA ILE 24 4.344 -5.951 -0.085 121 HB ILE 24 HB ILE 24 3.862 -8.016 -1.503 122 HG12 ILE 24 HG12 ILE 24 3.061 -9.929 0.233 123 HG13 ILE 24 HG13 ILE 24 2.066 -8.579 0.804 124 HG21 ILE 24 HG21 ILE 24 5.844 -7.748 -0.059 125 HG22 ILE 24 HG22 ILE 24 5.307 -9.442 -0.162 126 HG23 ILE 24 HG23 ILE 24 4.945 -8.480 1.292 127 HD11 ILE 24 HD11 ILE 24 2.158 -9.677 -2.023 128 HD12 ILE 24 HD12 ILE 24 0.849 -9.902 -0.838 129 HD13 ILE 24 HD13 ILE 24 1.189 -8.282 -1.491 130 H CYS 25 H CYS 25 3.859 -5.704 -2.366 131 HA CYS 25 HA CYS 25 1.161 -4.503 -2.706 132 HB2 CYS 25 HB2 CYS 25 3.580 -4.259 -4.512 133 HB3 CYS 25 HB3 CYS 25 2.112 -3.269 -4.541 134 H ILE 26 H ILE 26 -0.341 -5.332 -3.983 135 HA ILE 26 HA ILE 26 0.376 -7.702 -5.612 136 HB ILE 26 HB ILE 26 -2.206 -7.907 -5.791 137 HG12 ILE 26 HG12 ILE 26 -2.778 -6.883 -3.206 138 HG13 ILE 26 HG13 ILE 26 -2.039 -5.560 -4.124 139 HG21 ILE 26 HG21 ILE 26 -0.717 -9.400 -4.530 140 HG22 ILE 26 HG22 ILE 26 -0.853 -8.324 -3.119 141 HG23 ILE 26 HG23 ILE 26 -2.291 -9.176 -3.730 142 HD11 ILE 26 HD11 ILE 26 -4.474 -5.545 -4.351 143 HD12 ILE 26 HD12 ILE 26 -3.696 -5.884 -5.915 144 HD13 ILE 26 HD13 ILE 26 -4.435 -7.208 -4.984 145 H TRP 27 H TRP 27 -1.996 -5.039 -5.933 146 HA TRP 27 HA TRP 27 -2.671 -3.753 -7.697 147 HB2 TRP 27 HB3 TRP 27 -0.174 -3.157 -7.580 148 HB3 TRP 27 HB2 TRP 27 0.029 -4.211 -8.985 149 HD1 TRP 27 HD1 TRP 27 -3.196 -2.348 -9.371 150 HE1 TRP 27 HE1 TRP 27 -2.923 -0.354 -10.983 151 HE3 TRP 27 HE3 TRP 27 1.923 -2.231 -9.617 152 HZ2 TRP 27 HZ2 TRP 27 -0.815 1.054 -12.180 153 HZ3 TRP 27 HZ3 TRP 27 2.991 -0.519 -11.028 154 HH2 TRP 27 HH2 TRP 27 1.638 1.101 -12.290 155 H GLN 28 H GLN 28 -2.877 -6.753 -7.793 156 HA GLN 28 HA GLN 28 -3.085 -7.200 -10.723 157 HB2 GLN 28 HB3 GLN 28 -3.282 -9.050 -8.329 158 HB3 GLN 28 HB2 GLN 28 -3.714 -9.555 -9.972 159 HG2 GLN 28 HG2 GLN 28 -1.440 -9.049 -10.738 160 HG3 GLN 28 HG3 GLN 28 -0.995 -8.537 -9.098 161 HE21 GLN 28 HE21 GLN 28 -1.763 -11.251 -11.204 162 HE22 GLN 28 HE22 GLN 28 -1.206 -12.509 -10.124 163 H LEU 29 H LEU 29 -4.769 -5.559 -8.729 164 HA LEU 29 HA LEU 29 -7.372 -6.214 -9.943 165 HB2 LEU 29 HB2 LEU 29 -6.909 -6.155 -6.946 166 HB3 LEU 29 HB3 LEU 29 -8.507 -6.001 -7.688 167 HG LEU 29 HG LEU 29 -6.805 -8.385 -8.356 168 HD11 LEU 29 HD11 LEU 29 -6.703 -8.191 -5.900 169 HD12 LEU 29 HD12 LEU 29 -8.480 -8.110 -5.838 170 HD13 LEU 29 HD13 LEU 29 -7.676 -9.591 -6.412 171 HD21 LEU 29 HD21 LEU 29 -8.943 -7.999 -9.531 172 HD22 LEU 29 HD22 LEU 29 -8.990 -9.479 -8.543 173 HD23 LEU 29 HD23 LEU 29 -9.795 -7.999 -7.968 174 H THR 30 H THR 30 -5.644 -4.137 -7.571 175 HA THR 30 HA THR 30 -6.663 -1.767 -9.002 176 HB THR 30 HB THR 30 -6.967 -0.906 -6.416 177 HG1 THR 30 HG1 THR 30 -8.139 -2.487 -5.315 178 HG21 THR 30 HG21 THR 30 -9.386 -0.999 -6.863 179 HG22 THR 30 HG22 THR 30 -8.474 -0.447 -8.288 180 HG23 THR 30 HG23 THR 30 -9.090 -2.115 -8.217 181 H ASP 31 H ASP 31 -4.806 -2.793 -6.110 182 HA ASP 31 HA ASP 31 -2.283 -2.258 -6.323 183 HB2 ASP 31 HB2 ASP 31 -2.956 -0.095 -7.667 184 HB3 ASP 31 HB3 ASP 31 -3.149 0.626 -6.058 185 H ARG 32 H ARG 32 -4.095 -3.249 -4.490 186 HA ARG 32 HA ARG 32 -3.961 -1.539 -2.080 187 HB2 ARG 32 HB2 ARG 32 -5.302 -4.179 -2.697 188 HB3 ARG 32 HB3 ARG 32 -5.224 -3.517 -1.055 189 HG2 ARG 32 HG3 ARG 32 -6.418 -1.492 -1.838 190 HG3 ARG 32 HG2 ARG 32 -6.514 -2.197 -3.465 191 HD2 ARG 32 HD2 ARG 32 -7.626 -3.583 -1.015 192 HD3 ARG 32 HD3 ARG 32 -8.581 -2.445 -1.985 193 HE ARG 32 HE ARG 32 -7.544 -4.307 -3.795 194 HH11 ARG 32 HH11 ARG 32 -10.544 -5.812 -1.536 195 HH12 ARG 32 HH12 ARG 32 -9.667 -4.413 -0.957 196 HH21 ARG 32 HH21 ARG 32 -8.701 -6.109 -4.505 197 HH22 ARG 32 HH22 ARG 32 -10.000 -6.765 -3.534 198 H CYS 33 H CYS 33 -3.089 -2.240 -0.085 199 HA CYS 33 HA CYS 33 -0.721 -4.003 -0.441 200 HB2 CYS 33 HB3 CYS 33 -1.438 -1.839 1.540 201 HB3 CYS 33 HB2 CYS 33 -0.135 -2.995 1.858 202 H VAL 34 H VAL 34 -0.741 -5.992 0.288 203 HA VAL 34 HA VAL 34 -2.591 -6.671 2.527 204 HB VAL 34 HB VAL 34 -2.366 -9.073 1.436 205 HG11 VAL 34 HG11 VAL 34 -4.446 -7.816 1.833 206 HG12 VAL 34 HG12 VAL 34 -4.208 -6.957 0.293 207 HG13 VAL 34 HG13 VAL 34 -4.482 -8.715 0.298 208 HG21 VAL 34 HG21 VAL 34 -0.832 -8.386 -0.378 209 HG22 VAL 34 HG22 VAL 34 -2.086 -7.292 -1.009 210 HG23 VAL 34 HG23 VAL 34 -2.360 -9.050 -1.004 211 H GLY 35 H GLY 35 -1.888 -8.045 4.122 212 HA2 GLY 35 HA2 GLY 35 0.077 -9.764 4.466 213 HA3 GLY 35 HA3 GLY 35 1.067 -8.304 4.276 214 H ASN 36 H ASN 36 1.906 -8.037 6.257 215 HA ASN 36 HA ASN 36 -0.009 -7.449 8.451 216 HB2 ASN 36 HB2 ASN 36 2.349 -9.352 8.633 217 HB3 ASN 36 HB3 ASN 36 1.563 -8.637 10.053 218 HD21 ASN 36 HD21 ASN 36 -0.567 -9.258 10.611 219 HD22 ASN 36 HD22 ASN 36 -1.295 -10.710 9.960 220 H CYS 37 H CYS 37 0.421 -5.279 7.989 221 HA CYS 37 HA CYS 37 3.072 -4.353 9.002 222 HB2 CYS 37 HB3 CYS 37 2.900 -2.432 7.437 223 HB3 CYS 37 HB2 CYS 37 3.070 -3.996 6.624 Start of MODEL 8 1 H1 GLU 2 H GLU 2 9.303 12.869 3.683 2 HA GLU 2 HA GLU 2 7.082 12.377 3.374 3 HB2 GLU 2 HB2 GLU 2 8.173 10.840 1.006 4 HB3 GLU 2 HB3 GLU 2 6.441 10.968 1.354 5 HG2 GLU 2 HG2 GLU 2 6.593 13.418 1.181 6 HG3 GLU 2 HG3 GLU 2 8.328 13.286 0.831 7 H GLY 3 H GLY 3 5.804 11.204 4.598 8 HA2 GLY 3 HA3 GLY 3 6.020 8.279 4.632 9 HA3 GLY 3 HA2 GLY 3 6.478 9.080 6.148 10 H GLU 4 H GLU 4 3.875 8.347 3.914 11 HA GLU 4 HA GLU 4 1.926 8.940 6.086 12 HB2 GLU 4 HB3 GLU 4 2.119 10.702 4.111 13 HB3 GLU 4 HB2 GLU 4 1.165 9.495 3.233 14 HG2 GLU 4 HG2 GLU 4 -0.574 9.594 4.959 15 HG3 GLU 4 HG3 GLU 4 0.373 10.800 5.852 16 H CYS 5 H CYS 5 2.059 6.693 6.495 17 HA CYS 5 HA CYS 5 0.390 5.089 4.619 18 HB2 CYS 5 HB3 CYS 5 1.785 3.130 4.971 19 HB3 CYS 5 HB2 CYS 5 2.732 4.451 4.269 20 H SER 6 H SER 6 -0.251 2.964 5.713 21 HA SER 6 HA SER 6 -0.596 3.076 8.625 22 HB2 SER 6 HB2 SER 6 -2.417 4.562 7.626 23 HB3 SER 6 HB3 SER 6 -3.070 3.100 6.858 24 HG SER 6 HG SER 6 -3.964 3.711 8.987 25 HA PRO 7 HA PRO 7 -0.549 -1.366 8.096 26 HB2 PRO 7 HB2 PRO 7 -2.848 -1.512 10.037 27 HB3 PRO 7 HB3 PRO 7 -1.273 -2.358 10.069 28 HG2 PRO 7 HG2 PRO 7 -1.761 -0.312 11.702 29 HG3 PRO 7 HG3 PRO 7 -0.158 -0.537 10.946 30 HD2 PRO 7 HD3 PRO 7 -2.341 1.405 10.251 31 HD3 PRO 7 HD2 PRO 7 -0.566 1.634 10.235 32 H LEU 8 H LEU 8 -1.264 -1.895 6.132 33 HA LEU 8 HA LEU 8 -2.610 -2.341 4.335 34 HB2 LEU 8 HB2 LEU 8 -4.601 -3.207 6.452 35 HB3 LEU 8 HB3 LEU 8 -4.629 -3.671 4.751 36 HG LEU 8 HG LEU 8 -3.816 -5.567 5.802 37 HD11 LEU 8 HD11 LEU 8 -1.638 -5.943 5.043 38 HD12 LEU 8 HD12 LEU 8 -1.141 -4.260 5.336 39 HD13 LEU 8 HD13 LEU 8 -2.241 -4.641 3.990 40 HD21 LEU 8 HD21 LEU 8 -3.578 -4.555 8.036 41 HD22 LEU 8 HD22 LEU 8 -2.007 -3.875 7.546 42 HD23 LEU 8 HD23 LEU 8 -2.225 -5.639 7.633 43 H GLY 9 H GLY 9 -2.523 0.207 4.551 44 HA2 GLY 9 HA3 GLY 9 -5.350 1.134 4.285 45 HA3 GLY 9 HA2 GLY 9 -4.134 2.089 5.150 46 H GLU 10 H GLU 10 -2.109 2.670 3.814 47 HA GLU 10 HA GLU 10 -3.128 3.843 1.312 48 HB2 GLU 10 HB2 GLU 10 -0.522 4.147 2.816 49 HB3 GLU 10 HB3 GLU 10 -0.833 4.925 1.257 50 HG2 GLU 10 HG3 GLU 10 -2.666 5.324 3.627 51 HG3 GLU 10 HG2 GLU 10 -1.195 6.291 3.408 52 HA PRO 11 HA PRO 11 -1.246 0.892 -1.432 53 HB2 PRO 11 HB2 PRO 11 -0.807 2.918 -3.520 54 HB3 PRO 11 HB3 PRO 11 -2.040 1.628 -3.450 55 HG2 PRO 11 HG3 PRO 11 -2.625 4.275 -3.241 56 HG3 PRO 11 HG2 PRO 11 -3.597 2.988 -2.475 57 HD2 PRO 11 HD3 PRO 11 -1.497 4.780 -1.262 58 HD3 PRO 11 HD2 PRO 11 -3.091 4.298 -0.602 59 H CYS 12 H CYS 12 0.687 0.416 -2.792 60 HA CYS 12 HA CYS 12 3.072 1.878 -1.747 61 HB2 CYS 12 HB3 CYS 12 4.327 -0.155 -2.022 62 HB3 CYS 12 HB2 CYS 12 2.860 -0.500 -1.093 63 H ALA 13 H ALA 13 1.260 1.240 -4.594 64 HA ALA 13 HA ALA 13 3.603 1.791 -6.340 65 HB1 ALA 13 HB1 ALA 13 2.154 1.107 -8.198 66 HB2 ALA 13 HB2 ALA 13 0.793 0.905 -7.069 67 HB3 ALA 13 HB3 ALA 13 2.221 -0.148 -6.937 68 H GLY 14 H GLY 14 4.041 3.832 -6.685 69 HA2 GLY 14 HA2 GLY 14 3.676 5.912 -7.698 70 HA3 GLY 14 HA3 GLY 14 1.936 5.585 -7.745 71 H ASN 15 H ASN 15 4.629 6.441 -5.582 72 HA ASN 15 HA ASN 15 2.860 8.344 -4.188 73 HB2 ASN 15 HB2 ASN 15 4.246 6.059 -2.774 74 HB3 ASN 15 HB3 ASN 15 3.745 7.540 -1.936 75 HD21 ASN 15 HD21 ASN 15 2.684 4.612 -3.581 76 HD22 ASN 15 HD22 ASN 15 1.015 4.681 -3.060 77 HA PRO 16 HA PRO 16 5.694 6.219 -5.182 78 HB2 PRO 16 HB2 PRO 16 8.548 5.983 -4.751 79 HB3 PRO 16 HB3 PRO 16 7.690 6.277 -6.290 80 HG2 PRO 16 HG2 PRO 16 9.351 8.095 -5.017 81 HG3 PRO 16 HG3 PRO 16 8.104 8.504 -6.226 82 HD2 PRO 16 HD3 PRO 16 7.977 8.669 -3.224 83 HD3 PRO 16 HD2 PRO 16 7.334 9.803 -4.453 84 H TRP 17 H TRP 17 5.170 4.466 -4.066 85 HA TRP 17 HA TRP 17 4.956 2.906 -2.403 86 HB2 TRP 17 HB3 TRP 17 7.820 3.553 -2.402 87 HB3 TRP 17 HB2 TRP 17 7.237 2.934 -0.847 88 HD1 TRP 17 HD1 TRP 17 7.687 1.868 -4.518 89 HE1 TRP 17 HE1 TRP 17 7.526 -0.701 -4.688 90 HE3 TRP 17 HE3 TRP 17 6.238 0.862 0.290 91 HZ2 TRP 17 HZ2 TRP 17 6.869 -2.841 -2.991 92 HZ3 TRP 17 HZ3 TRP 17 5.862 -1.484 0.939 93 HH2 TRP 17 HH2 TRP 17 6.175 -3.308 -0.682 94 H GLY 18 H GLY 18 3.345 3.579 -1.143 95 HA2 GLY 18 HA2 GLY 18 4.111 5.289 1.186 96 HA3 GLY 18 HA3 GLY 18 2.569 5.476 0.335 97 H CYS 19 H CYS 19 4.131 2.390 1.188 98 HA CYS 19 HA CYS 19 1.878 1.893 3.097 99 HB2 CYS 19 HB2 CYS 19 2.164 0.533 0.853 100 HB3 CYS 19 HB3 CYS 19 3.421 -0.319 1.764 101 H CYS 20 H CYS 20 2.392 1.340 5.142 102 HA CYS 20 HA CYS 20 4.978 1.830 6.174 103 HB2 CYS 20 HB3 CYS 20 2.700 0.222 7.359 104 HB3 CYS 20 HB2 CYS 20 4.123 0.784 8.250 105 HA PRO 21 HA PRO 21 7.564 -1.692 5.493 106 HB2 PRO 21 HB2 PRO 21 8.648 -2.031 8.082 107 HB3 PRO 21 HB3 PRO 21 9.273 -0.937 6.815 108 HG2 PRO 21 HG3 PRO 21 7.468 -0.345 9.131 109 HG3 PRO 21 HG2 PRO 21 8.816 0.617 8.461 110 HD2 PRO 21 HD2 PRO 21 6.273 1.279 7.946 111 HD3 PRO 21 HD3 PRO 21 7.525 1.395 6.669 112 H GLY 22 H GLY 22 7.205 -3.796 5.329 113 HA2 GLY 22 HA2 GLY 22 6.792 -5.979 6.205 114 HA3 GLY 22 HA3 GLY 22 5.930 -5.258 7.579 115 H CYS 23 H CYS 23 5.317 -4.100 4.346 116 HA CYS 23 HA CYS 23 2.754 -5.634 4.271 117 HB2 CYS 23 HB2 CYS 23 3.223 -2.737 4.328 118 HB3 CYS 23 HB3 CYS 23 2.221 -3.249 2.960 119 H ILE 24 H ILE 24 2.404 -6.713 2.469 120 HA ILE 24 HA ILE 24 4.104 -6.095 0.106 121 HB ILE 24 HB ILE 24 3.245 -8.378 -0.732 122 HG12 ILE 24 HG13 ILE 24 2.937 -9.312 2.052 123 HG13 ILE 24 HG12 ILE 24 1.611 -8.285 1.481 124 HG21 ILE 24 HG21 ILE 24 5.536 -7.920 0.062 125 HG22 ILE 24 HG22 ILE 24 5.025 -8.297 1.725 126 HG23 ILE 24 HG23 ILE 24 5.000 -9.566 0.477 127 HD11 ILE 24 HD11 ILE 24 1.126 -10.651 1.095 128 HD12 ILE 24 HD12 ILE 24 2.607 -10.804 0.119 129 HD13 ILE 24 HD13 ILE 24 1.272 -9.769 -0.444 130 H CYS 25 H CYS 25 3.099 -6.393 -2.062 131 HA CYS 25 HA CYS 25 0.252 -5.479 -2.031 132 HB2 CYS 25 HB2 CYS 25 2.447 -4.497 -3.873 133 HB3 CYS 25 HB3 CYS 25 0.754 -3.981 -3.892 134 H ILE 26 H ILE 26 -1.046 -6.040 -3.737 135 HA ILE 26 HA ILE 26 -0.120 -8.398 -5.287 136 HB ILE 26 HB ILE 26 -2.700 -8.459 -5.846 137 HG12 ILE 26 HG13 ILE 26 -3.238 -7.466 -3.128 138 HG13 ILE 26 HG12 ILE 26 -2.732 -6.192 -4.251 139 HG21 ILE 26 HG21 ILE 26 -3.067 -9.859 -3.861 140 HG22 ILE 26 HG22 ILE 26 -1.584 -9.197 -3.133 141 HG23 ILE 26 HG23 ILE 26 -1.488 -10.168 -4.622 142 HD11 ILE 26 HD11 ILE 26 -5.167 -6.414 -4.204 143 HD12 ILE 26 HD12 ILE 26 -5.029 -8.121 -4.687 144 HD13 ILE 26 HD13 ILE 26 -4.517 -6.835 -5.806 145 H TRP 27 H TRP 27 -2.243 -5.583 -5.743 146 HA TRP 27 HA TRP 27 -2.704 -4.219 -7.508 147 HB2 TRP 27 HB3 TRP 27 -0.288 -3.641 -7.081 148 HB3 TRP 27 HB2 TRP 27 0.144 -4.732 -8.403 149 HD1 TRP 27 HD1 TRP 27 -2.902 -2.390 -8.882 150 HE1 TRP 27 HE1 TRP 27 -2.330 -0.616 -10.663 151 HE3 TRP 27 HE3 TRP 27 2.091 -3.417 -9.440 152 HZ2 TRP 27 HZ2 TRP 27 -0.062 0.216 -12.089 153 HZ3 TRP 27 HZ3 TRP 27 3.392 -2.075 -11.043 154 HH2 TRP 27 HH2 TRP 27 2.329 -0.281 -12.344 155 H GLN 28 H GLN 28 -4.241 -5.553 -8.367 156 HA GLN 28 HA GLN 28 -3.493 -6.659 -11.031 157 HB2 GLN 28 HB2 GLN 28 -5.297 -7.910 -8.941 158 HB3 GLN 28 HB3 GLN 28 -5.361 -8.363 -10.651 159 HG2 GLN 28 HG3 GLN 28 -2.786 -8.490 -9.073 160 HG3 GLN 28 HG2 GLN 28 -3.967 -9.812 -9.039 161 HE21 GLN 28 HE21 GLN 28 -3.235 -11.051 -12.257 162 HE22 GLN 28 HE22 GLN 28 -4.344 -11.064 -10.905 163 H LEU 29 H LEU 29 -4.819 -4.250 -9.536 164 HA LEU 29 HA LEU 29 -6.481 -3.346 -11.658 165 HB2 LEU 29 HB3 LEU 29 -7.936 -5.180 -10.424 166 HB3 LEU 29 HB2 LEU 29 -8.171 -3.898 -9.231 167 HG LEU 29 HG LEU 29 -8.711 -3.224 -12.089 168 HD11 LEU 29 HD11 LEU 29 -9.746 -5.446 -11.817 169 HD12 LEU 29 HD12 LEU 29 -10.969 -4.162 -11.967 170 HD13 LEU 29 HD13 LEU 29 -10.606 -4.863 -10.372 171 HD21 LEU 29 HD21 LEU 29 -8.920 -1.545 -10.291 172 HD22 LEU 29 HD22 LEU 29 -10.121 -2.575 -9.476 173 HD23 LEU 29 HD23 LEU 29 -10.485 -1.874 -11.071 174 H THR 30 H THR 30 -5.436 -3.149 -8.274 175 HA THR 30 HA THR 30 -5.674 -0.190 -8.484 176 HB THR 30 HB THR 30 -6.215 -0.702 -5.793 177 HG1 THR 30 HG1 THR 30 -7.990 -2.126 -5.862 178 HG21 THR 30 HG21 THR 30 -8.426 0.233 -6.320 179 HG22 THR 30 HG22 THR 30 -8.125 -0.038 -8.053 180 HG23 THR 30 HG23 THR 30 -7.123 1.121 -7.146 181 H ASP 31 H ASP 31 -4.359 -2.892 -6.559 182 HA ASP 31 HA ASP 31 -2.160 -3.166 -5.788 183 HB2 ASP 31 HB3 ASP 31 -1.374 -1.227 -7.279 184 HB3 ASP 31 HB2 ASP 31 -1.658 -0.177 -5.878 185 H ARG 32 H ARG 32 -3.786 -3.693 -4.159 186 HA ARG 32 HA ARG 32 -3.984 -1.790 -1.900 187 HB2 ARG 32 HB2 ARG 32 -5.231 -4.481 -2.496 188 HB3 ARG 32 HB3 ARG 32 -5.367 -3.712 -0.906 189 HG2 ARG 32 HG3 ARG 32 -6.497 -1.787 -1.909 190 HG3 ARG 32 HG2 ARG 32 -6.294 -2.493 -3.526 191 HD2 ARG 32 HD3 ARG 32 -7.766 -3.935 -1.310 192 HD3 ARG 32 HD2 ARG 32 -8.574 -2.786 -2.395 193 HE ARG 32 HE ARG 32 -7.284 -4.524 -4.109 194 HH11 ARG 32 HH11 ARG 32 -9.624 -4.938 -1.480 195 HH12 ARG 32 HH12 ARG 32 -10.330 -6.371 -2.193 196 HH21 ARG 32 HH21 ARG 32 -8.221 -6.374 -4.996 197 HH22 ARG 32 HH22 ARG 32 -9.539 -7.179 -4.174 198 H CYS 33 H CYS 33 -3.244 -2.231 0.196 199 HA CYS 33 HA CYS 33 -0.797 -3.866 0.246 200 HB2 CYS 33 HB2 CYS 33 -2.062 -1.876 2.122 201 HB3 CYS 33 HB3 CYS 33 -0.726 -2.910 2.656 202 H VAL 34 H VAL 34 -0.616 -5.820 0.996 203 HA VAL 34 HA VAL 34 -2.691 -6.853 2.872 204 HB VAL 34 HB VAL 34 -1.892 -9.153 1.794 205 HG11 VAL 34 HG11 VAL 34 -4.196 -8.297 1.940 206 HG12 VAL 34 HG12 VAL 34 -3.877 -9.121 0.396 207 HG13 VAL 34 HG13 VAL 34 -3.923 -7.343 0.462 208 HG21 VAL 34 HG21 VAL 34 -1.399 -9.115 -0.516 209 HG22 VAL 34 HG22 VAL 34 -0.316 -7.903 0.209 210 HG23 VAL 34 HG23 VAL 34 -1.782 -7.382 -0.656 211 H GLY 35 H GLY 35 -2.022 -8.165 4.547 212 HA2 GLY 35 HA2 GLY 35 -0.106 -9.577 5.395 213 HA3 GLY 35 HA3 GLY 35 0.944 -8.216 4.955 214 H ASN 36 H ASN 36 1.743 -7.699 6.926 215 HA ASN 36 HA ASN 36 -0.129 -6.406 8.797 216 HB2 ASN 36 HB2 ASN 36 0.925 -7.584 10.761 217 HB3 ASN 36 HB3 ASN 36 -0.140 -8.587 9.762 218 HD21 ASN 36 HD21 ASN 36 2.368 -10.859 8.739 219 HD22 ASN 36 HD22 ASN 36 0.751 -10.252 8.464 220 H CYS 37 H CYS 37 0.787 -4.473 8.210 221 HA CYS 37 HA CYS 37 3.616 -4.082 9.093 222 HB2 CYS 37 HB2 CYS 37 3.710 -2.187 7.522 223 HB3 CYS 37 HB3 CYS 37 3.432 -3.735 6.708 Start of MODEL 9 1 H1 GLU 2 H GLU 2 1.283 16.782 7.340 2 HA GLU 2 HA GLU 2 2.678 14.354 8.335 3 HB2 GLU 2 HB3 GLU 2 0.202 15.849 9.237 4 HB3 GLU 2 HB2 GLU 2 0.612 14.237 9.845 5 HG2 GLU 2 HG2 GLU 2 1.475 15.650 11.472 6 HG3 GLU 2 HG3 GLU 2 2.894 15.267 10.480 7 H GLY 3 H GLY 3 2.182 12.362 7.712 8 HA2 GLY 3 HA3 GLY 3 0.143 10.887 7.207 9 HA3 GLY 3 HA2 GLY 3 -0.176 12.051 5.906 10 H GLU 4 H GLU 4 1.729 9.355 6.987 11 HA GLU 4 HA GLU 4 2.673 8.931 4.220 12 HB2 GLU 4 HB3 GLU 4 4.469 9.360 6.592 13 HB3 GLU 4 HB2 GLU 4 4.948 8.212 5.329 14 HG2 GLU 4 HG2 GLU 4 4.809 9.942 3.640 15 HG3 GLU 4 HG3 GLU 4 4.209 11.107 4.835 16 H CYS 5 H CYS 5 1.282 7.298 4.044 17 HA CYS 5 HA CYS 5 0.364 5.212 4.202 18 HB2 CYS 5 HB3 CYS 5 1.911 3.315 4.404 19 HB3 CYS 5 HB2 CYS 5 2.467 4.553 3.270 20 H SER 6 H SER 6 0.174 3.099 5.503 21 HA SER 6 HA SER 6 0.437 3.410 8.405 22 HB2 SER 6 HB2 SER 6 -2.303 3.330 7.083 23 HB3 SER 6 HB3 SER 6 -2.008 3.077 8.817 24 HG SER 6 HG SER 6 -2.522 5.235 8.490 25 HA PRO 7 HA PRO 7 0.640 -1.048 8.167 26 HB2 PRO 7 HB2 PRO 7 -1.078 -1.277 10.603 27 HB3 PRO 7 HB3 PRO 7 0.585 -1.869 10.323 28 HG2 PRO 7 HG2 PRO 7 0.088 0.231 11.912 29 HG3 PRO 7 HG3 PRO 7 1.543 0.146 10.881 30 HD2 PRO 7 HD3 PRO 7 -0.999 1.701 10.470 31 HD3 PRO 7 HD2 PRO 7 0.694 2.181 10.137 32 H LEU 8 H LEU 8 -0.525 -1.532 6.410 33 HA LEU 8 HA LEU 8 -2.247 -2.135 5.036 34 HB2 LEU 8 HB2 LEU 8 -2.786 -3.462 7.517 35 HB3 LEU 8 HB3 LEU 8 -4.323 -2.954 6.801 36 HG LEU 8 HG LEU 8 -3.397 -4.027 4.626 37 HD11 LEU 8 HD11 LEU 8 -1.934 -6.061 5.282 38 HD12 LEU 8 HD12 LEU 8 -1.151 -4.473 5.103 39 HD13 LEU 8 HD13 LEU 8 -1.519 -5.106 6.725 40 HD21 LEU 8 HD21 LEU 8 -4.288 -6.217 5.311 41 HD22 LEU 8 HD22 LEU 8 -4.201 -5.710 7.015 42 HD23 LEU 8 HD23 LEU 8 -5.299 -4.873 5.892 43 H GLY 9 H GLY 9 -2.670 -0.177 4.232 44 HA2 GLY 9 HA2 GLY 9 -5.263 0.939 4.743 45 HA3 GLY 9 HA3 GLY 9 -4.008 1.944 5.490 46 H GLU 10 H GLU 10 -2.218 2.741 4.022 47 HA GLU 10 HA GLU 10 -3.461 3.796 1.597 48 HB2 GLU 10 HB3 GLU 10 -0.756 4.126 2.893 49 HB3 GLU 10 HB2 GLU 10 -1.092 4.769 1.278 50 HG2 GLU 10 HG2 GLU 10 -1.470 6.579 2.700 51 HG3 GLU 10 HG3 GLU 10 -3.094 5.966 2.344 52 HA PRO 11 HA PRO 11 -1.879 0.748 -1.259 53 HB2 PRO 11 HB2 PRO 11 -1.934 2.664 -3.488 54 HB3 PRO 11 HB3 PRO 11 -3.059 1.321 -3.140 55 HG2 PRO 11 HG3 PRO 11 -3.746 3.952 -2.972 56 HG3 PRO 11 HG2 PRO 11 -4.514 2.663 -2.004 57 HD2 PRO 11 HD3 PRO 11 -2.357 4.619 -1.221 58 HD3 PRO 11 HD2 PRO 11 -3.795 4.088 -0.294 59 H CYS 12 H CYS 12 -0.165 0.396 -2.988 60 HA CYS 12 HA CYS 12 2.336 1.679 -2.112 61 HB2 CYS 12 HB3 CYS 12 1.704 -0.638 -3.950 62 HB3 CYS 12 HB2 CYS 12 3.341 0.013 -3.762 63 H ALA 13 H ALA 13 0.073 2.002 -4.701 64 HA ALA 13 HA ALA 13 2.059 3.347 -6.446 65 HB1 ALA 13 HB1 ALA 13 0.255 3.369 -8.118 66 HB2 ALA 13 HB2 ALA 13 -0.860 2.660 -6.925 67 HB3 ALA 13 HB3 ALA 13 0.546 1.728 -7.494 68 H GLY 14 H GLY 14 2.388 5.438 -6.312 69 HA2 GLY 14 HA3 GLY 14 0.713 7.530 -6.554 70 HA3 GLY 14 HA2 GLY 14 0.465 7.120 -4.846 71 H ASN 15 H ASN 15 2.744 6.599 -3.762 72 HA ASN 15 HA ASN 15 4.480 7.621 -2.683 73 HB2 ASN 15 HB2 ASN 15 6.460 8.132 -4.020 74 HB3 ASN 15 HB3 ASN 15 5.713 6.599 -4.495 75 HD21 ASN 15 HD21 ASN 15 4.740 6.392 -6.546 76 HD22 ASN 15 HD22 ASN 15 5.024 7.558 -7.819 77 HA PRO 16 HA PRO 16 5.771 8.645 -1.372 78 HB2 PRO 16 HB2 PRO 16 5.010 10.552 0.746 79 HB3 PRO 16 HB3 PRO 16 6.634 10.175 0.103 80 HG2 PRO 16 HG2 PRO 16 5.404 12.560 -0.297 81 HG3 PRO 16 HG3 PRO 16 6.544 11.837 -1.467 82 HD2 PRO 16 HD3 PRO 16 3.527 11.818 -1.494 83 HD3 PRO 16 HD2 PRO 16 4.668 12.166 -2.833 84 H TRP 17 H TRP 17 2.682 8.743 -1.988 85 HA TRP 17 HA TRP 17 1.583 7.885 0.618 86 HB2 TRP 17 HB2 TRP 17 0.329 8.320 -2.111 87 HB3 TRP 17 HB3 TRP 17 -0.567 7.708 -0.709 88 HD1 TRP 17 HD1 TRP 17 1.316 10.896 -1.882 89 HE1 TRP 17 HE1 TRP 17 0.386 12.938 -0.610 90 HE3 TRP 17 HE3 TRP 17 -1.836 8.444 1.325 91 HZ2 TRP 17 HZ2 TRP 17 -1.440 13.412 1.471 92 HZ3 TRP 17 HZ3 TRP 17 -3.144 9.773 2.933 93 HH2 TRP 17 HH2 TRP 17 -2.949 12.224 3.000 94 H GLY 18 H GLY 18 3.373 6.131 0.333 95 HA2 GLY 18 HA3 GLY 18 2.364 3.826 -1.242 96 HA3 GLY 18 HA2 GLY 18 3.968 3.976 -0.501 97 H CYS 19 H CYS 19 3.865 1.985 0.474 98 HA CYS 19 HA CYS 19 1.909 1.759 2.725 99 HB2 CYS 19 HB3 CYS 19 3.313 -0.379 1.091 100 HB3 CYS 19 HB2 CYS 19 2.444 -0.703 2.599 101 H CYS 20 H CYS 20 2.663 1.536 4.734 102 HA CYS 20 HA CYS 20 5.417 2.143 5.312 103 HB2 CYS 20 HB2 CYS 20 3.075 1.241 6.994 104 HB3 CYS 20 HB3 CYS 20 4.671 1.561 7.690 105 HA PRO 21 HA PRO 21 7.661 -1.694 5.470 106 HB2 PRO 21 HB2 PRO 21 8.153 -1.169 8.408 107 HB3 PRO 21 HB3 PRO 21 9.311 -1.614 7.120 108 HG2 PRO 21 HG3 PRO 21 9.163 0.882 7.968 109 HG3 PRO 21 HG2 PRO 21 9.342 0.530 6.226 110 HD2 PRO 21 HD2 PRO 21 6.912 1.414 7.764 111 HD3 PRO 21 HD3 PRO 21 7.442 1.847 6.109 112 H GLY 22 H GLY 22 7.211 -3.806 5.714 113 HA2 GLY 22 HA3 GLY 22 6.461 -5.746 6.876 114 HA3 GLY 22 HA2 GLY 22 5.574 -4.711 8.011 115 H CYS 23 H CYS 23 5.130 -3.749 4.788 116 HA CYS 23 HA CYS 23 2.562 -5.276 4.595 117 HB2 CYS 23 HB2 CYS 23 3.018 -2.443 3.629 118 HB3 CYS 23 HB3 CYS 23 1.482 -3.316 3.736 119 H ILE 24 H ILE 24 1.801 -5.745 2.498 120 HA ILE 24 HA ILE 24 3.776 -5.368 0.296 121 HB ILE 24 HB ILE 24 3.014 -7.666 -0.567 122 HG12 ILE 24 HG12 ILE 24 2.621 -9.132 1.683 123 HG13 ILE 24 HG13 ILE 24 1.742 -7.656 2.120 124 HG21 ILE 24 HG21 ILE 24 5.257 -7.180 0.335 125 HG22 ILE 24 HG22 ILE 24 4.725 -8.836 0.714 126 HG23 ILE 24 HG23 ILE 24 4.675 -7.575 1.970 127 HD11 ILE 24 HD11 ILE 24 0.254 -9.303 1.091 128 HD12 ILE 24 HD12 ILE 24 0.398 -7.855 0.066 129 HD13 ILE 24 HD13 ILE 24 1.282 -9.339 -0.362 130 H CYS 25 H CYS 25 2.842 -5.600 -1.888 131 HA CYS 25 HA CYS 25 -0.074 -4.963 -1.946 132 HB2 CYS 25 HB2 CYS 25 2.165 -3.471 -3.331 133 HB3 CYS 25 HB3 CYS 25 0.460 -3.311 -3.787 134 H ILE 26 H ILE 26 -1.200 -5.528 -3.778 135 HA ILE 26 HA ILE 26 0.098 -7.649 -5.386 136 HB ILE 26 HB ILE 26 -2.404 -7.939 -6.173 137 HG12 ILE 26 HG12 ILE 26 -3.214 -7.147 -3.447 138 HG13 ILE 26 HG13 ILE 26 -2.832 -5.782 -4.511 139 HG21 ILE 26 HG21 ILE 26 -2.764 -9.495 -4.302 140 HG22 ILE 26 HG22 ILE 26 -1.423 -8.727 -3.419 141 HG23 ILE 26 HG23 ILE 26 -1.108 -9.586 -4.946 142 HD11 ILE 26 HD11 ILE 26 -5.217 -6.327 -4.590 143 HD12 ILE 26 HD12 ILE 26 -4.449 -6.626 -6.167 144 HD13 ILE 26 HD13 ILE 26 -4.830 -7.991 -5.090 145 H TRP 27 H TRP 27 -2.372 -5.145 -6.035 146 HA TRP 27 HA TRP 27 -2.744 -3.736 -7.798 147 HB2 TRP 27 HB2 TRP 27 -0.438 -2.958 -7.186 148 HB3 TRP 27 HB3 TRP 27 0.214 -4.018 -8.441 149 HD1 TRP 27 HD1 TRP 27 -2.965 -1.944 -9.201 150 HE1 TRP 27 HE1 TRP 27 -2.405 -0.142 -10.957 151 HE3 TRP 27 HE3 TRP 27 2.122 -2.546 -9.350 152 HZ2 TRP 27 HZ2 TRP 27 -0.110 0.871 -12.211 153 HZ3 TRP 27 HZ3 TRP 27 3.430 -1.111 -10.862 154 HH2 TRP 27 HH2 TRP 27 2.326 0.575 -12.271 155 H GLN 28 H GLN 28 -2.964 -6.660 -8.116 156 HA GLN 28 HA GLN 28 -2.425 -7.039 -11.003 157 HB2 GLN 28 HB3 GLN 28 -3.417 -8.884 -8.813 158 HB3 GLN 28 HB2 GLN 28 -3.424 -9.341 -10.525 159 HG2 GLN 28 HG3 GLN 28 -0.990 -9.017 -10.630 160 HG3 GLN 28 HG2 GLN 28 -0.980 -8.555 -8.917 161 HE21 GLN 28 HE21 GLN 28 -1.320 -10.123 -7.304 162 HE22 GLN 28 HE22 GLN 28 -1.188 -11.833 -7.646 163 H LEU 29 H LEU 29 -4.505 -5.282 -9.525 164 HA LEU 29 HA LEU 29 -6.587 -5.535 -11.530 165 HB2 LEU 29 HB3 LEU 29 -8.472 -5.728 -9.861 166 HB3 LEU 29 HB2 LEU 29 -7.544 -7.202 -10.158 167 HG LEU 29 HG LEU 29 -6.737 -5.537 -7.815 168 HD11 LEU 29 HD11 LEU 29 -9.200 -5.539 -7.684 169 HD12 LEU 29 HD12 LEU 29 -9.201 -7.313 -7.823 170 HD13 LEU 29 HD13 LEU 29 -8.470 -6.533 -6.400 171 HD21 LEU 29 HD21 LEU 29 -6.755 -8.423 -8.641 172 HD22 LEU 29 HD22 LEU 29 -6.725 -8.017 -6.908 173 HD23 LEU 29 HD23 LEU 29 -5.430 -7.434 -7.982 174 H THR 30 H THR 30 -5.672 -4.111 -8.366 175 HA THR 30 HA THR 30 -6.483 -1.475 -9.467 176 HB THR 30 HB THR 30 -7.154 -1.077 -6.890 177 HG1 THR 30 HG1 THR 30 -8.165 -2.885 -6.055 178 HG21 THR 30 HG21 THR 30 -9.500 -1.377 -7.572 179 HG22 THR 30 HG22 THR 30 -8.548 -0.561 -8.835 180 HG23 THR 30 HG23 THR 30 -8.964 -2.282 -9.008 181 H ASP 31 H ASP 31 -5.059 -2.873 -6.482 182 HA ASP 31 HA ASP 31 -2.568 -2.450 -6.167 183 HB2 ASP 31 HB2 ASP 31 -2.750 -0.279 -7.594 184 HB3 ASP 31 HB3 ASP 31 -3.295 0.490 -6.092 185 H ARG 32 H ARG 32 -4.216 -3.560 -4.599 186 HA ARG 32 HA ARG 32 -4.852 -1.846 -2.270 187 HB2 ARG 32 HB3 ARG 32 -5.473 -4.729 -2.963 188 HB3 ARG 32 HB2 ARG 32 -5.806 -4.032 -1.369 189 HG2 ARG 32 HG2 ARG 32 -7.264 -2.341 -2.413 190 HG3 ARG 32 HG3 ARG 32 -6.952 -3.063 -4.005 191 HD2 ARG 32 HD2 ARG 32 -7.933 -5.182 -3.238 192 HD3 ARG 32 HD3 ARG 32 -8.233 -4.472 -1.639 193 HE ARG 32 HE ARG 32 -9.450 -2.871 -3.685 194 HH11 ARG 32 HH11 ARG 32 -9.880 -5.944 -1.971 195 HH12 ARG 32 HH12 ARG 32 -11.613 -5.952 -2.204 196 HH21 ARG 32 HH21 ARG 32 -11.688 -2.919 -3.965 197 HH22 ARG 32 HH22 ARG 32 -12.630 -4.248 -3.328 198 H CYS 33 H CYS 33 -3.921 -1.973 -0.291 199 HA CYS 33 HA CYS 33 -1.319 -3.389 -0.185 200 HB2 CYS 33 HB2 CYS 33 -1.773 -0.884 0.404 201 HB3 CYS 33 HB3 CYS 33 -2.365 -1.531 1.943 202 H VAL 34 H VAL 34 -1.185 -5.308 0.695 203 HA VAL 34 HA VAL 34 -2.920 -5.966 3.036 204 HB VAL 34 HB VAL 34 -2.164 -8.210 1.197 205 HG11 VAL 34 HG11 VAL 34 -3.346 -8.586 3.333 206 HG12 VAL 34 HG12 VAL 34 -4.705 -7.602 2.740 207 HG13 VAL 34 HG13 VAL 34 -4.294 -9.133 1.930 208 HG21 VAL 34 HG21 VAL 34 -4.353 -7.858 -0.075 209 HG22 VAL 34 HG22 VAL 34 -4.292 -6.176 0.505 210 HG23 VAL 34 HG23 VAL 34 -2.983 -6.812 -0.521 211 H GLY 35 H GLY 35 -2.020 -8.081 4.124 212 HA2 GLY 35 HA2 GLY 35 0.397 -9.192 4.042 213 HA3 GLY 35 HA3 GLY 35 0.862 -7.561 4.561 214 H ASN 36 H ASN 36 1.600 -8.021 6.562 215 HA ASN 36 HA ASN 36 -0.444 -8.960 8.518 216 HB2 ASN 36 HB2 ASN 36 1.390 -10.154 9.755 217 HB3 ASN 36 HB3 ASN 36 0.948 -10.879 8.200 218 HD21 ASN 36 HD21 ASN 36 3.414 -9.136 10.016 219 HD22 ASN 36 HD22 ASN 36 4.720 -9.388 8.879 220 H CYS 37 H CYS 37 0.519 -6.291 7.697 221 HA CYS 37 HA CYS 37 1.915 -5.359 10.148 222 HB2 CYS 37 HB2 CYS 37 2.085 -3.202 8.879 223 HB3 CYS 37 HB3 CYS 37 2.932 -4.570 8.137 Start of MODEL 10 1 H1 GLU 2 H GLU 2 6.843 15.002 1.380 2 HA GLU 2 HA GLU 2 4.001 14.267 1.863 3 HB2 GLU 2 HB2 GLU 2 5.796 14.103 -0.567 4 HB3 GLU 2 HB3 GLU 2 4.218 13.303 -0.496 5 HG2 GLU 2 HG2 GLU 2 3.145 15.490 -0.100 6 HG3 GLU 2 HG3 GLU 2 4.730 16.280 -0.206 7 H GLY 3 H GLY 3 3.288 12.149 1.934 8 HA2 GLY 3 HA2 GLY 3 3.803 9.754 1.652 9 HA3 GLY 3 HA3 GLY 3 5.438 10.093 2.252 10 H GLU 4 H GLU 4 2.240 9.193 3.031 11 HA GLU 4 HA GLU 4 2.977 8.873 5.862 12 HB2 GLU 4 HB3 GLU 4 0.791 10.708 4.915 13 HB3 GLU 4 HB2 GLU 4 0.585 9.803 6.426 14 HG2 GLU 4 HG3 GLU 4 2.614 10.780 7.334 15 HG3 GLU 4 HG2 GLU 4 2.924 11.618 5.801 16 H CYS 5 H CYS 5 2.949 6.738 5.618 17 HA CYS 5 HA CYS 5 0.525 5.398 4.574 18 HB2 CYS 5 HB2 CYS 5 1.842 3.335 4.808 19 HB3 CYS 5 HB3 CYS 5 2.647 4.544 3.795 20 H SER 6 H SER 6 -0.176 3.398 5.761 21 HA SER 6 HA SER 6 -0.008 3.571 8.705 22 HB2 SER 6 HB2 SER 6 -1.910 5.079 7.930 23 HB3 SER 6 HB3 SER 6 -2.705 3.621 7.302 24 HG SER 6 HG SER 6 -3.286 4.305 9.510 25 HA PRO 7 HA PRO 7 -0.174 -0.897 8.358 26 HB2 PRO 7 HB2 PRO 7 -2.159 -0.893 10.619 27 HB3 PRO 7 HB3 PRO 7 -0.620 -1.788 10.454 28 HG2 PRO 7 HG3 PRO 7 -0.827 0.335 12.055 29 HG3 PRO 7 HG2 PRO 7 0.657 0.018 11.114 30 HD2 PRO 7 HD3 PRO 7 -1.524 2.028 10.640 31 HD3 PRO 7 HD2 PRO 7 0.238 2.173 10.356 32 H LEU 8 H LEU 8 -1.188 -1.263 6.486 33 HA LEU 8 HA LEU 8 -2.802 -1.668 4.919 34 HB2 LEU 8 HB3 LEU 8 -3.728 -2.974 7.304 35 HB3 LEU 8 HB2 LEU 8 -5.117 -2.312 6.430 36 HG LEU 8 HG LEU 8 -4.094 -3.440 4.346 37 HD11 LEU 8 HD11 LEU 8 -1.905 -3.962 5.353 38 HD12 LEU 8 HD12 LEU 8 -2.738 -5.428 4.786 39 HD13 LEU 8 HD13 LEU 8 -2.705 -5.039 6.522 40 HD21 LEU 8 HD21 LEU 8 -5.230 -5.554 4.895 41 HD22 LEU 8 HD22 LEU 8 -6.170 -4.134 5.412 42 HD23 LEU 8 HD23 LEU 8 -5.259 -5.083 6.611 43 H GLY 9 H GLY 9 -3.018 0.302 4.070 44 HA2 GLY 9 HA2 GLY 9 -5.523 1.629 4.296 45 HA3 GLY 9 HA3 GLY 9 -4.337 2.502 5.282 46 H GLU 10 H GLU 10 -2.254 3.166 4.127 47 HA GLU 10 HA GLU 10 -2.999 4.565 1.702 48 HB2 GLU 10 HB2 GLU 10 -1.329 5.253 3.546 49 HB3 GLU 10 HB3 GLU 10 -0.171 4.208 2.711 50 HG2 GLU 10 HG2 GLU 10 0.285 6.331 1.862 51 HG3 GLU 10 HG3 GLU 10 -0.730 5.600 0.606 52 HA PRO 11 HA PRO 11 -2.302 1.271 -1.301 53 HB2 PRO 11 HB3 PRO 11 -1.713 3.653 -3.063 54 HB3 PRO 11 HB2 PRO 11 -2.771 2.246 -3.378 55 HG2 PRO 11 HG3 PRO 11 -3.798 4.599 -2.719 56 HG3 PRO 11 HG2 PRO 11 -4.485 3.090 -2.055 57 HD2 PRO 11 HD2 PRO 11 -2.747 5.150 -0.731 58 HD3 PRO 11 HD3 PRO 11 -4.080 4.166 -0.053 59 H CYS 12 H CYS 12 -0.611 0.432 -2.685 60 HA CYS 12 HA CYS 12 2.071 1.173 -1.698 61 HB2 CYS 12 HB2 CYS 12 2.719 -0.902 -3.041 62 HB3 CYS 12 HB3 CYS 12 1.722 -1.130 -1.596 63 H ALA 13 H ALA 13 0.126 1.693 -4.509 64 HA ALA 13 HA ALA 13 2.483 2.173 -6.236 65 HB1 ALA 13 HB1 ALA 13 0.884 2.476 -8.035 66 HB2 ALA 13 HB2 ALA 13 -0.469 2.451 -6.880 67 HB3 ALA 13 HB3 ALA 13 0.502 0.983 -7.144 68 H GLY 14 H GLY 14 3.415 4.063 -6.461 69 HA2 GLY 14 HA2 GLY 14 2.518 6.507 -7.014 70 HA3 GLY 14 HA3 GLY 14 2.102 6.443 -5.290 71 H ASN 15 H ASN 15 4.085 5.368 -4.008 72 HA ASN 15 HA ASN 15 6.031 5.947 -2.951 73 HB2 ASN 15 HB3 ASN 15 8.099 5.598 -4.217 74 HB3 ASN 15 HB2 ASN 15 6.895 4.338 -4.529 75 HD21 ASN 15 HD21 ASN 15 5.939 4.140 -6.577 76 HD22 ASN 15 HD22 ASN 15 6.594 4.949 -7.982 77 HA PRO 16 HA PRO 16 7.365 6.768 -1.581 78 HB2 PRO 16 HB2 PRO 16 6.984 9.158 0.114 79 HB3 PRO 16 HB3 PRO 16 8.466 8.200 -0.167 80 HG2 PRO 16 HG3 PRO 16 8.150 10.726 -1.085 81 HG3 PRO 16 HG2 PRO 16 9.131 9.500 -1.935 82 HD2 PRO 16 HD2 PRO 16 6.305 10.411 -2.499 83 HD3 PRO 16 HD3 PRO 16 7.659 10.121 -3.636 84 H TRP 17 H TRP 17 4.552 7.760 -2.692 85 HA TRP 17 HA TRP 17 2.919 7.735 -0.248 86 HB2 TRP 17 HB3 TRP 17 2.213 7.874 -3.199 87 HB3 TRP 17 HB2 TRP 17 1.016 7.875 -1.893 88 HD1 TRP 17 HD1 TRP 17 3.949 10.063 -3.209 89 HE1 TRP 17 HE1 TRP 17 3.528 12.515 -2.531 90 HE3 TRP 17 HE3 TRP 17 -0.250 9.371 -0.361 91 HZ2 TRP 17 HZ2 TRP 17 1.655 13.934 -0.994 92 HZ3 TRP 17 HZ3 TRP 17 -1.303 11.338 0.679 93 HH2 TRP 17 HH2 TRP 17 -0.361 13.589 0.365 94 H GLY 18 H GLY 18 4.185 5.508 0.016 95 HA2 GLY 18 HA2 GLY 18 2.435 3.361 -1.105 96 HA3 GLY 18 HA3 GLY 18 4.122 3.130 -0.609 97 H CYS 19 H CYS 19 2.883 1.291 0.455 98 HA CYS 19 HA CYS 19 1.592 2.073 2.999 99 HB2 CYS 19 HB2 CYS 19 1.370 -0.463 3.223 100 HB3 CYS 19 HB3 CYS 19 0.436 0.319 1.937 101 H CYS 20 H CYS 20 2.397 1.628 4.999 102 HA CYS 20 HA CYS 20 5.152 1.843 5.475 103 HB2 CYS 20 HB2 CYS 20 2.995 0.642 7.228 104 HB3 CYS 20 HB3 CYS 20 4.614 1.080 7.791 105 HA PRO 21 HA PRO 21 7.205 -2.061 4.928 106 HB2 PRO 21 HB2 PRO 21 8.201 -1.855 7.768 107 HB3 PRO 21 HB3 PRO 21 9.116 -2.111 6.253 108 HG2 PRO 21 HG2 PRO 21 9.138 0.254 7.446 109 HG3 PRO 21 HG3 PRO 21 9.032 0.129 5.667 110 HD2 PRO 21 HD2 PRO 21 6.869 0.751 7.667 111 HD3 PRO 21 HD3 PRO 21 7.166 1.448 6.044 112 H GLY 22 H GLY 22 6.998 -4.257 5.285 113 HA2 GLY 22 HA2 GLY 22 6.433 -6.129 6.740 114 HA3 GLY 22 HA3 GLY 22 5.260 -5.087 7.567 115 H CYS 23 H CYS 23 4.280 -3.946 5.017 116 HA CYS 23 HA CYS 23 2.493 -6.202 4.280 117 HB2 CYS 23 HB2 CYS 23 2.278 -3.210 4.229 118 HB3 CYS 23 HB3 CYS 23 1.276 -4.166 3.124 119 H ILE 24 H ILE 24 1.933 -6.627 2.110 120 HA ILE 24 HA ILE 24 4.104 -5.916 0.191 121 HB ILE 24 HB ILE 24 3.254 -7.991 -1.089 122 HG12 ILE 24 HG13 ILE 24 2.464 -9.734 0.791 123 HG13 ILE 24 HG12 ILE 24 1.744 -8.269 1.478 124 HG21 ILE 24 HG21 ILE 24 5.403 -7.833 0.110 125 HG22 ILE 24 HG22 ILE 24 4.601 -8.387 1.599 126 HG23 ILE 24 HG23 ILE 24 4.705 -9.468 0.189 127 HD11 ILE 24 HD11 ILE 24 0.139 -9.469 0.076 128 HD12 ILE 24 HD12 ILE 24 1.244 -9.339 -1.313 129 HD13 ILE 24 HD13 ILE 24 0.521 -7.872 -0.611 130 H CYS 25 H CYS 25 3.491 -5.883 -2.122 131 HA CYS 25 HA CYS 25 0.897 -4.432 -2.447 132 HB2 CYS 25 HB2 CYS 25 3.033 -3.208 -2.910 133 HB3 CYS 25 HB3 CYS 25 3.370 -4.365 -4.207 134 H ILE 26 H ILE 26 -0.631 -5.171 -3.803 135 HA ILE 26 HA ILE 26 -0.055 -7.703 -5.217 136 HB ILE 26 HB ILE 26 -2.590 -7.728 -5.586 137 HG12 ILE 26 HG12 ILE 26 -3.352 -6.297 -3.263 138 HG13 ILE 26 HG13 ILE 26 -2.394 -5.177 -4.248 139 HG21 ILE 26 HG21 ILE 26 -1.377 -9.118 -3.961 140 HG22 ILE 26 HG22 ILE 26 -3.003 -8.667 -3.394 141 HG23 ILE 26 HG23 ILE 26 -1.571 -7.836 -2.740 142 HD11 ILE 26 HD11 ILE 26 -4.778 -5.017 -4.787 143 HD12 ILE 26 HD12 ILE 26 -3.856 -5.633 -6.179 144 HD13 ILE 26 HD13 ILE 26 -4.815 -6.752 -5.182 145 H TRP 27 H TRP 27 -2.093 -4.855 -5.976 146 HA TRP 27 HA TRP 27 -2.475 -3.682 -7.900 147 HB2 TRP 27 HB2 TRP 27 0.081 -3.400 -7.625 148 HB3 TRP 27 HB3 TRP 27 0.220 -4.541 -8.968 149 HD1 TRP 27 HD1 TRP 27 -2.716 -2.603 -9.927 150 HE1 TRP 27 HE1 TRP 27 -2.138 -0.613 -11.461 151 HE3 TRP 27 HE3 TRP 27 2.344 -2.432 -9.121 152 HZ2 TRP 27 HZ2 TRP 27 0.157 0.806 -12.217 153 HZ3 TRP 27 HZ3 TRP 27 3.662 -0.720 -10.301 154 HH2 TRP 27 HH2 TRP 27 2.580 0.880 -11.824 155 H GLN 28 H GLN 28 -2.956 -6.667 -7.725 156 HA GLN 28 HA GLN 28 -3.035 -7.375 -10.608 157 HB2 GLN 28 HB3 GLN 28 -3.532 -8.958 -8.071 158 HB3 GLN 28 HB2 GLN 28 -3.921 -9.583 -9.682 159 HG2 GLN 28 HG2 GLN 28 -1.568 -9.340 -10.350 160 HG3 GLN 28 HG3 GLN 28 -1.171 -8.731 -8.731 161 HE21 GLN 28 HE21 GLN 28 -2.073 -11.538 -10.657 162 HE22 GLN 28 HE22 GLN 28 -1.698 -12.742 -9.444 163 H LEU 29 H LEU 29 -4.671 -5.440 -8.840 164 HA LEU 29 HA LEU 29 -7.245 -5.934 -10.182 165 HB2 LEU 29 HB2 LEU 29 -6.958 -5.691 -7.171 166 HB3 LEU 29 HB3 LEU 29 -8.485 -5.451 -8.028 167 HG LEU 29 HG LEU 29 -6.983 -8.023 -8.406 168 HD11 LEU 29 HD11 LEU 29 -7.007 -7.647 -5.970 169 HD12 LEU 29 HD12 LEU 29 -8.075 -8.990 -6.442 170 HD13 LEU 29 HD13 LEU 29 -8.769 -7.403 -6.031 171 HD21 LEU 29 HD21 LEU 29 -9.000 -7.540 -9.745 172 HD22 LEU 29 HD22 LEU 29 -9.246 -8.928 -8.658 173 HD23 LEU 29 HD23 LEU 29 -9.940 -7.341 -8.246 174 H THR 30 H THR 30 -5.457 -3.878 -7.841 175 HA THR 30 HA THR 30 -6.093 -1.532 -9.503 176 HB THR 30 HB THR 30 -6.516 -0.443 -7.022 177 HG1 THR 30 HG1 THR 30 -7.950 -1.797 -5.931 178 HG21 THR 30 HG21 THR 30 -8.882 -0.311 -7.687 179 HG22 THR 30 HG22 THR 30 -7.795 0.027 -9.055 180 HG23 THR 30 HG23 THR 30 -8.600 -1.555 -8.928 181 H ASP 31 H ASP 31 -4.700 -2.324 -6.277 182 HA ASP 31 HA ASP 31 -2.036 -2.030 -6.516 183 HB2 ASP 31 HB3 ASP 31 -1.407 0.357 -6.171 184 HB3 ASP 31 HB2 ASP 31 -2.132 0.061 -7.760 185 H ARG 32 H ARG 32 -4.033 -3.018 -4.768 186 HA ARG 32 HA ARG 32 -3.957 -1.462 -2.283 187 HB2 ARG 32 HB3 ARG 32 -5.046 -4.220 -2.926 188 HB3 ARG 32 HB2 ARG 32 -5.147 -3.459 -1.330 189 HG2 ARG 32 HG2 ARG 32 -6.475 -1.626 -2.261 190 HG3 ARG 32 HG3 ARG 32 -6.360 -2.350 -3.879 191 HD2 ARG 32 HD2 ARG 32 -7.519 -4.366 -3.047 192 HD3 ARG 32 HD3 ARG 32 -7.654 -3.621 -1.441 193 HE ARG 32 HE ARG 32 -8.793 -1.847 -3.337 194 HH11 ARG 32 HH11 ARG 32 -11.183 -4.894 -2.168 195 HH12 ARG 32 HH12 ARG 32 -9.454 -5.039 -1.944 196 HH21 ARG 32 HH21 ARG 32 -11.026 -1.699 -3.608 197 HH22 ARG 32 HH22 ARG 32 -12.067 -3.013 -3.106 198 H CYS 33 H CYS 33 -3.164 -2.245 -0.254 199 HA CYS 33 HA CYS 33 -0.757 -3.991 -0.567 200 HB2 CYS 33 HB3 CYS 33 -0.509 -1.466 0.007 201 HB3 CYS 33 HB2 CYS 33 -1.112 -1.930 1.606 202 H VAL 34 H VAL 34 -1.000 -5.912 0.318 203 HA VAL 34 HA VAL 34 -2.718 -6.151 2.759 204 HB VAL 34 HB VAL 34 -2.253 -8.607 1.132 205 HG11 VAL 34 HG11 VAL 34 -3.578 -8.591 3.214 206 HG12 VAL 34 HG12 VAL 34 -4.730 -7.464 2.458 207 HG13 VAL 34 HG13 VAL 34 -4.537 -9.110 1.808 208 HG21 VAL 34 HG21 VAL 34 -4.269 -8.048 -0.318 209 HG22 VAL 34 HG22 VAL 34 -4.010 -6.349 0.145 210 HG23 VAL 34 HG23 VAL 34 -2.743 -7.234 -0.739 211 H GLY 35 H GLY 35 -2.178 -8.180 4.063 212 HA2 GLY 35 HA2 GLY 35 -0.217 -9.780 4.404 213 HA3 GLY 35 HA3 GLY 35 0.799 -8.330 4.292 214 H ASN 36 H ASN 36 1.667 -8.381 6.308 215 HA ASN 36 HA ASN 36 -0.194 -7.716 8.525 216 HB2 ASN 36 HB2 ASN 36 0.520 -10.232 8.448 217 HB3 ASN 36 HB3 ASN 36 2.088 -9.634 9.022 218 HD21 ASN 36 HD21 ASN 36 2.262 -8.711 11.105 219 HD22 ASN 36 HD22 ASN 36 1.023 -8.946 12.317 220 H CYS 37 H CYS 37 0.508 -5.589 8.230 221 HA CYS 37 HA CYS 37 3.286 -5.083 9.206 222 HB2 CYS 37 HB3 CYS 37 3.295 -3.019 7.877 223 HB3 CYS 37 HB2 CYS 37 3.111 -4.461 6.865
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