NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
638602 | 6k4v | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 36.202 0.250 -15.717 2 H2 ARG 1 HT2 ARG 1 37.112 -1.125 -16.092 3 H3 ARG 1 HT3 ARG 1 37.890 0.312 -15.663 4 HA ARG 1 HA ARG 1 36.123 -1.252 -13.889 5 HB2 ARG 1 HB2 ARG 1 38.157 -1.874 -12.677 6 HB3 ARG 1 HB1 ARG 1 38.216 -2.452 -14.333 7 HG2 ARG 1 HG2 ARG 1 39.727 -0.679 -14.949 8 HG3 ARG 1 HG1 ARG 1 39.589 0.037 -13.344 9 HD2 ARG 1 HD2 ARG 1 41.664 -1.263 -13.629 10 HD3 ARG 1 HD1 ARG 1 40.636 -1.895 -12.345 11 HE ARG 1 HE ARG 1 40.177 -3.193 -14.854 12 HH11 ARG 1 HH11 ARG 1 42.330 -3.084 -12.103 13 HH12 ARG 1 HH12 ARG 1 42.799 -4.749 -12.234 14 HH21 ARG 1 HH21 ARG 1 40.775 -5.394 -15.034 15 HH22 ARG 1 HH22 ARG 1 41.901 -6.070 -13.905 16 H VAL 2 HN VAL 2 35.657 -0.312 -11.973 17 HA VAL 2 HA VAL 2 36.216 2.504 -11.701 18 HB VAL 2 HB VAL 2 34.776 0.640 -9.798 19 HG11 VAL 2 HG11 VAL 2 34.795 3.651 -9.969 20 HG12 VAL 2 HG12 VAL 2 35.568 2.678 -8.719 21 HG13 VAL 2 HG13 VAL 2 33.812 2.686 -8.869 22 HG21 VAL 2 HG21 VAL 2 33.678 0.705 -11.971 23 HG22 VAL 2 HG22 VAL 2 33.668 2.468 -11.928 24 HG23 VAL 2 HG23 VAL 2 32.715 1.552 -10.761 25 H GLN 3 HN GLN 3 37.944 3.297 -10.722 26 HA GLN 3 HA GLN 3 39.831 1.640 -9.384 27 HB2 GLN 3 HB2 GLN 3 39.647 4.657 -9.505 28 HB3 GLN 3 HB1 GLN 3 41.038 3.746 -8.938 29 HG2 GLN 3 HG2 GLN 3 41.304 2.760 -11.155 30 HG3 GLN 3 HG1 GLN 3 39.905 3.668 -11.724 31 HE21 GLN 3 HE21 GLN 3 42.239 4.974 -9.490 32 HE22 GLN 3 HE22 GLN 3 42.929 6.126 -10.577 33 H GLY 4 HN GLY 4 37.258 3.762 -8.373 34 HA2 GLY 4 HA2 GLY 4 37.886 3.382 -5.554 35 HA3 GLY 4 HA1 GLY 4 36.552 4.324 -6.212 36 H ARG 5 HN ARG 5 37.610 0.951 -6.528 37 HA ARG 5 HA ARG 5 35.044 -0.123 -6.794 38 HB2 ARG 5 HB2 ARG 5 36.970 -1.373 -7.519 39 HB3 ARG 5 HB1 ARG 5 37.637 -1.389 -5.896 40 HG2 ARG 5 HG2 ARG 5 34.977 -2.637 -6.338 41 HG3 ARG 5 HG1 ARG 5 36.415 -3.485 -6.902 42 HD2 ARG 5 HD2 ARG 5 37.330 -3.561 -4.703 43 HD3 ARG 5 HD1 ARG 5 36.104 -2.454 -4.080 44 HE ARG 5 HE ARG 5 34.934 -4.801 -5.184 45 HH11 ARG 5 HH11 ARG 5 36.627 -3.626 -2.357 46 HH12 ARG 5 HH12 ARG 5 35.892 -4.770 -1.284 47 HH21 ARG 5 HH21 ARG 5 33.963 -6.310 -3.775 48 HH22 ARG 5 HH22 ARG 5 34.370 -6.291 -2.089 49 H TRP 6 HN TRP 6 37.081 0.317 -3.956 50 HA TRP 6 HA TRP 6 35.220 -1.038 -2.225 51 HB2 TRP 6 HB2 TRP 6 36.826 -0.757 -0.541 52 HB3 TRP 6 HB1 TRP 6 37.769 -0.939 -2.009 53 HD1 TRP 6 HD1 TRP 6 38.487 1.611 -3.152 54 HE1 TRP 6 HE1 TRP 6 39.465 3.622 -1.881 55 HE3 TRP 6 HE3 TRP 6 36.984 0.390 1.576 56 HZ2 TRP 6 HZ2 TRP 6 39.589 4.563 0.769 57 HZ3 TRP 6 HZ3 TRP 6 37.576 1.899 3.425 58 HH2 TRP 6 HH2 TRP 6 38.853 3.943 3.027 59 H LYS 7 HN LYS 7 35.366 1.977 -3.574 60 HA LYS 7 HA LYS 7 34.236 3.478 -1.378 61 HB2 LYS 7 HB2 LYS 7 34.661 4.160 -4.290 62 HB3 LYS 7 HB1 LYS 7 34.030 5.283 -3.096 63 HG2 LYS 7 HG2 LYS 7 36.717 3.951 -2.872 64 HG3 LYS 7 HG1 LYS 7 36.460 5.529 -3.613 65 HD2 LYS 7 HD2 LYS 7 35.721 4.818 -0.775 66 HD3 LYS 7 HD1 LYS 7 37.194 5.664 -1.249 67 HE2 LYS 7 HE2 LYS 7 35.807 7.448 -2.247 68 HE3 LYS 7 HE1 LYS 7 34.363 6.613 -1.677 69 HZ1 LYS 7 HZ1 LYS 7 35.027 8.403 -0.193 70 HZ2 LYS 7 HZ2 LYS 7 36.526 7.665 0.062 71 HZ3 LYS 7 HZ3 LYS 7 35.111 6.903 0.587 72 H VAL 8 HN VAL 8 33.123 2.503 -4.618 73 HA VAL 8 HA VAL 8 31.080 1.942 -5.439 74 HB VAL 8 HB VAL 8 30.240 1.704 -2.541 75 HG11 VAL 8 HG11 VAL 8 28.342 1.935 -4.075 76 HG12 VAL 8 HG12 VAL 8 28.419 0.320 -3.371 77 HG13 VAL 8 HG13 VAL 8 28.955 0.584 -5.028 78 HG21 VAL 8 HG21 VAL 8 30.602 -0.707 -2.867 79 HG22 VAL 8 HG22 VAL 8 32.090 0.221 -3.049 80 HG23 VAL 8 HG23 VAL 8 31.246 -0.380 -4.476 81 H ARG 9 HN ARG 9 30.352 3.709 -6.473 82 HA ARG 9 HA ARG 9 29.617 6.145 -5.274 83 HB2 ARG 9 HB2 ARG 9 28.820 4.952 -7.933 84 HB3 ARG 9 HB1 ARG 9 28.454 6.600 -7.453 85 HG2 ARG 9 HG2 ARG 9 31.226 5.461 -7.701 86 HG3 ARG 9 HG1 ARG 9 30.409 6.417 -8.936 87 HD2 ARG 9 HD2 ARG 9 30.197 8.257 -7.262 88 HD3 ARG 9 HD1 ARG 9 31.191 7.302 -6.164 89 HE ARG 9 HE ARG 9 32.742 7.403 -8.331 90 HH11 ARG 9 HH11 ARG 9 31.010 9.925 -6.628 91 HH12 ARG 9 HH12 ARG 9 32.142 11.164 -7.055 92 HH21 ARG 9 HH21 ARG 9 34.222 9.034 -8.916 93 HH22 ARG 9 HH22 ARG 9 33.970 10.659 -8.369 94 H ALA 10 HN ALA 10 27.872 3.201 -5.839 95 HA ALA 10 HA ALA 10 25.266 4.249 -5.596 96 HB1 ALA 10 HB1 ALA 10 24.540 1.947 -5.364 97 HB2 ALA 10 HB2 ALA 10 26.202 1.437 -5.072 98 HB3 ALA 10 HB3 ALA 10 25.742 2.086 -6.646 99 H SER 11 HN SER 11 27.659 3.980 -3.283 100 HA SER 11 HA SER 11 25.732 3.554 -1.119 101 HB2 SER 11 HB2 SER 11 27.645 3.296 0.371 102 HB3 SER 11 HB1 SER 11 27.829 2.241 -1.027 103 HG SER 11 HG SER 11 29.270 3.769 -1.917 104 H PHE 12 HN PHE 12 27.085 6.031 -2.846 105 HA PHE 12 HA PHE 12 27.256 7.933 -0.673 106 HB2 PHE 12 HB2 PHE 12 28.794 8.110 -2.590 107 HB3 PHE 12 HB1 PHE 12 27.425 8.360 -3.666 108 HD1 PHE 12 HD1 PHE 12 29.257 9.818 -0.801 109 HD2 PHE 12 HD2 PHE 12 26.520 10.504 -3.986 110 HE1 PHE 12 HE1 PHE 12 29.392 12.239 -0.391 111 HE2 PHE 12 HE2 PHE 12 26.654 12.927 -3.583 112 HZ PHE 12 HZ PHE 12 28.090 13.797 -1.784 113 H PHE 13 HN PHE 13 25.359 7.789 -3.686 114 HA PHE 13 HA PHE 13 23.251 8.431 -4.213 115 HB2 PHE 13 HB2 PHE 13 22.675 6.754 -2.488 116 HB3 PHE 13 HB1 PHE 13 22.728 8.012 -1.259 117 HD1 PHE 13 HD1 PHE 13 21.035 7.213 -4.484 118 HD2 PHE 13 HD2 PHE 13 20.767 9.048 -0.654 119 HE1 PHE 13 HE1 PHE 13 18.650 7.673 -4.877 120 HE2 PHE 13 HE2 PHE 13 18.383 9.514 -1.043 121 HZ PHE 13 HZ PHE 13 17.322 8.825 -3.155 122 H LYS 14 HN LYS 14 23.668 10.527 -4.836 123 HA LYS 14 HA LYS 14 24.000 12.625 -2.903 124 HB2 LYS 14 HB2 LYS 14 25.125 12.544 -5.163 125 HB3 LYS 14 HB1 LYS 14 23.564 12.919 -5.877 126 HG2 LYS 14 HG2 LYS 14 23.505 15.023 -4.619 127 HG3 LYS 14 HG1 LYS 14 25.091 14.650 -3.945 128 HD2 LYS 14 HD2 LYS 14 26.022 14.615 -6.228 129 HD3 LYS 14 HD1 LYS 14 24.437 15.062 -6.861 130 HE2 LYS 14 HE2 LYS 14 26.124 16.694 -4.967 131 HE3 LYS 14 HE1 LYS 14 25.885 17.013 -6.683 132 HZ1 LYS 14 HZ1 LYS 14 23.776 17.063 -4.594 133 HZ2 LYS 14 HZ2 LYS 14 23.521 17.339 -6.242 134 HZ3 LYS 14 HZ3 LYS 14 24.465 18.413 -5.343 135 H GLY 15 HN GLY 15 21.368 11.026 -3.985 136 HA2 GLY 15 HA2 GLY 15 19.335 11.973 -2.748 137 HA3 GLY 15 HA1 GLY 15 19.596 13.364 -3.793 138 H GLY 16 HN GLY 16 17.186 12.262 -3.945 139 HA2 GLY 16 HA2 GLY 16 17.147 10.292 -6.089 140 HA3 GLY 16 HA1 GLY 16 15.747 10.955 -5.255 141 H GLY 17 HN GLY 17 16.318 13.680 -5.574 142 HA2 GLY 17 HA2 GLY 17 16.840 15.191 -7.445 143 HA3 GLY 17 HA1 GLY 17 16.140 13.978 -8.505 144 H GLY 18 HN GLY 18 14.680 15.511 -9.343 145 HA2 GLY 18 HA2 GLY 18 12.854 16.905 -7.620 146 HA3 GLY 18 HA1 GLY 18 12.783 16.830 -9.374 147 H SER 19 HN SER 19 12.761 13.970 -9.535 148 HA SER 19 HA SER 19 9.956 13.529 -9.109 149 HB2 SER 19 HB2 SER 19 12.076 11.615 -10.109 150 HB3 SER 19 HB1 SER 19 10.330 11.428 -10.282 151 HG SER 19 HG SER 19 12.099 12.962 -11.728 152 H GLY 20 HN GLY 20 8.990 12.210 -7.633 153 HA2 GLY 20 HA2 GLY 20 10.697 10.646 -5.827 154 HA3 GLY 20 HA1 GLY 20 9.617 11.850 -5.135 155 H PHE 21 HN PHE 21 9.559 9.113 -7.392 156 HA PHE 21 HA PHE 21 6.857 8.490 -6.414 157 HB2 PHE 21 HB2 PHE 21 8.199 7.614 -8.982 158 HB3 PHE 21 HB1 PHE 21 6.551 7.235 -8.501 159 HD1 PHE 21 HD1 PHE 21 8.783 9.772 -9.846 160 HD2 PHE 21 HD2 PHE 21 4.826 8.958 -8.515 161 HE1 PHE 21 HE1 PHE 21 7.997 11.826 -10.943 162 HE2 PHE 21 HE2 PHE 21 4.031 11.011 -9.612 163 HZ PHE 21 HZ PHE 21 5.619 12.449 -10.828 164 H ALA 22 HN ALA 22 6.325 6.222 -6.166 165 HA ALA 22 HA ALA 22 6.630 4.163 -5.283 166 HB1 ALA 22 HB1 ALA 22 7.701 3.742 -7.441 167 HB2 ALA 22 HB2 ALA 22 8.447 2.803 -6.148 168 HB3 ALA 22 HB3 ALA 22 9.251 4.246 -6.767 169 H TRP 23 HN TRP 23 6.952 5.830 -3.353 170 HA TRP 23 HA TRP 23 9.452 5.720 -2.002 171 HB2 TRP 23 HB2 TRP 23 6.670 6.120 -0.872 172 HB3 TRP 23 HB1 TRP 23 8.171 6.397 0.002 173 HD1 TRP 23 HD1 TRP 23 9.846 8.257 -1.589 174 HE1 TRP 23 HE1 TRP 23 9.060 10.575 -2.385 175 HE3 TRP 23 HE3 TRP 23 4.792 7.520 -1.359 176 HZ2 TRP 23 HZ2 TRP 23 6.617 11.915 -2.842 177 HZ3 TRP 23 HZ3 TRP 23 3.300 9.372 -1.989 178 HH2 TRP 23 HH2 TRP 23 4.196 11.523 -2.715 179 H ASN 24 HN ASN 24 6.423 3.926 -1.725 180 HA ASN 24 HA ASN 24 7.894 1.785 -0.351 181 HB2 ASN 24 HB2 ASN 24 5.800 1.030 0.592 182 HB3 ASN 24 HB1 ASN 24 5.979 2.747 0.931 183 HD21 ASN 24 HD21 ASN 24 4.577 4.209 -0.020 184 HD22 ASN 24 HD22 ASN 24 3.137 3.710 -0.837 185 H VAL 25 HN VAL 25 7.997 -0.183 -1.255 186 HA VAL 25 HA VAL 25 6.484 -0.612 -3.747 187 HB VAL 25 HB VAL 25 9.062 -1.966 -2.926 188 HG11 VAL 25 HG11 VAL 25 7.676 -3.319 -4.397 189 HG12 VAL 25 HG12 VAL 25 9.110 -2.749 -5.249 190 HG13 VAL 25 HG13 VAL 25 7.549 -1.980 -5.536 191 HG21 VAL 25 HG21 VAL 25 10.146 -0.592 -4.646 192 HG22 VAL 25 HG22 VAL 25 9.462 0.397 -3.357 193 HG23 VAL 25 HG23 VAL 25 8.629 0.271 -4.906 194 H CYS 26 HN CYS 26 4.787 -1.867 -3.370 195 HA CYS 26 HA CYS 26 4.822 -3.718 -1.129 196 HB2 CYS 26 HB2 CYS 26 2.585 -2.877 -2.977 197 HB3 CYS 26 HB1 CYS 26 2.402 -3.969 -1.608 198 H VAL 27 HN VAL 27 5.682 -5.611 -1.502 199 HA VAL 27 HA VAL 27 5.020 -7.003 -4.013 200 HB VAL 27 HB VAL 27 6.958 -8.464 -3.538 201 HG11 VAL 27 HG11 VAL 27 7.271 -6.548 -4.990 202 HG12 VAL 27 HG12 VAL 27 8.720 -6.814 -4.019 203 HG13 VAL 27 HG13 VAL 27 7.600 -5.518 -3.596 204 HG21 VAL 27 HG21 VAL 27 7.017 -8.282 -1.117 205 HG22 VAL 27 HG22 VAL 27 7.450 -6.576 -1.237 206 HG23 VAL 27 HG23 VAL 27 8.572 -7.811 -1.801 207 H TYR 28 HN TYR 28 4.828 -9.439 -3.695 208 HA TYR 28 HA TYR 28 3.377 -9.939 -1.191 209 HB2 TYR 28 HB2 TYR 28 2.861 -10.980 -3.977 210 HB3 TYR 28 HB1 TYR 28 2.089 -11.634 -2.538 211 HD1 TYR 28 HD1 TYR 28 0.414 -10.349 -1.327 212 HD2 TYR 28 HD2 TYR 28 2.265 -8.778 -4.819 213 HE1 TYR 28 HE1 TYR 28 -1.315 -8.618 -1.458 214 HE2 TYR 28 HE2 TYR 28 0.539 -7.041 -4.961 215 HH TYR 28 HH TYR 28 -1.780 -6.676 -4.202 216 H ARG 29 HN ARG 29 4.520 -11.131 0.104 217 HA ARG 29 HA ARG 29 6.310 -13.185 -0.988 218 HB2 ARG 29 HB2 ARG 29 7.277 -11.517 0.570 219 HB3 ARG 29 HB1 ARG 29 6.139 -12.027 1.804 220 HG2 ARG 29 HG2 ARG 29 8.253 -13.019 2.278 221 HG3 ARG 29 HG1 ARG 29 7.165 -14.293 1.731 222 HD2 ARG 29 HD2 ARG 29 9.030 -12.899 -0.160 223 HD3 ARG 29 HD1 ARG 29 9.566 -14.263 0.817 224 HE ARG 29 HE ARG 29 7.479 -15.372 -0.309 225 HH11 ARG 29 HH11 ARG 29 9.836 -13.237 -1.767 226 HH12 ARG 29 HH12 ARG 29 9.647 -13.909 -3.355 227 HH21 ARG 29 HH21 ARG 29 7.233 -16.256 -2.398 228 HH22 ARG 29 HH22 ARG 29 8.166 -15.619 -3.715 229 H ASN 30 HN ASN 30 4.745 -14.733 -1.459 230 HA ASN 30 HA ASN 30 3.512 -16.596 -1.083 231 HB2 ASN 30 HB2 ASN 30 4.644 -16.357 1.710 232 HB3 ASN 30 HB1 ASN 30 3.767 -17.757 1.103 233 HD21 ASN 30 HD21 ASN 30 4.741 -19.089 -0.432 234 HD22 ASN 30 HD22 ASN 30 6.443 -19.043 -0.733 235 H GLY 31 HN GLY 31 2.138 -14.230 -1.039 236 HA2 GLY 31 HA2 GLY 31 -0.169 -13.888 -0.727 237 HA3 GLY 31 HA1 GLY 31 -0.132 -15.006 0.626 238 H VAL 32 HN VAL 32 2.423 -13.211 1.290 239 HA VAL 32 HA VAL 32 0.856 -11.381 2.953 240 HB VAL 32 HB VAL 32 3.774 -12.148 3.177 241 HG11 VAL 32 HG11 VAL 32 3.660 -11.048 5.376 242 HG12 VAL 32 HG12 VAL 32 2.019 -10.515 5.010 243 HG13 VAL 32 HG13 VAL 32 3.374 -9.921 4.051 244 HG21 VAL 32 HG21 VAL 32 1.402 -13.000 4.835 245 HG22 VAL 32 HG22 VAL 32 3.086 -13.429 5.138 246 HG23 VAL 32 HG23 VAL 32 2.275 -14.009 3.683 247 H ARG 33 HN ARG 33 0.613 -9.400 2.244 248 HA ARG 33 HA ARG 33 2.248 -8.227 0.222 249 HB2 ARG 33 HB2 ARG 33 -0.084 -7.604 0.377 250 HB3 ARG 33 HB1 ARG 33 0.127 -7.068 2.037 251 HG2 ARG 33 HG2 ARG 33 1.636 -5.288 1.237 252 HG3 ARG 33 HG1 ARG 33 1.314 -5.799 -0.420 253 HD2 ARG 33 HD2 ARG 33 -1.007 -5.243 -0.207 254 HD3 ARG 33 HD1 ARG 33 -0.822 -4.935 1.519 255 HE ARG 33 HE ARG 33 0.927 -3.244 0.159 256 HH11 ARG 33 HH11 ARG 33 -2.521 -3.714 0.523 257 HH12 ARG 33 HH12 ARG 33 -2.901 -2.041 0.273 258 HH21 ARG 33 HH21 ARG 33 0.435 -1.053 -0.181 259 HH22 ARG 33 HH22 ARG 33 -1.216 -0.526 -0.133 260 H VAL 34 HN VAL 34 4.246 -7.564 0.604 261 HA VAL 34 HA VAL 34 4.823 -6.244 3.180 262 HB VAL 34 HB VAL 34 6.800 -7.657 1.376 263 HG11 VAL 34 HG11 VAL 34 7.108 -6.525 4.154 264 HG12 VAL 34 HG12 VAL 34 7.787 -5.849 2.674 265 HG13 VAL 34 HG13 VAL 34 8.341 -7.417 3.263 266 HG21 VAL 34 HG21 VAL 34 6.889 -9.389 3.121 267 HG22 VAL 34 HG22 VAL 34 5.295 -9.281 2.375 268 HG23 VAL 34 HG23 VAL 34 5.571 -8.584 3.972 269 H CYS 35 HN CYS 35 4.823 -4.106 2.863 270 HA CYS 35 HA CYS 35 5.804 -3.054 0.314 271 HB2 CYS 35 HB2 CYS 35 4.425 -1.554 2.548 272 HB3 CYS 35 HB1 CYS 35 4.741 -0.970 0.918 273 H HIS 36 HN HIS 36 7.939 -2.844 0.324 274 HA HIS 36 HA HIS 36 9.249 -1.943 2.773 275 HB2 HIS 36 HB2 HIS 36 11.380 -2.545 1.578 276 HB3 HIS 36 HB1 HIS 36 10.295 -3.890 1.888 277 HD1 HIS 36 HD1 HIS 36 10.050 -5.422 -0.025 278 HD2 HIS 36 HD2 HIS 36 11.033 -1.574 -1.258 279 HE1 HIS 36 HE1 HIS 36 10.291 -5.554 -2.524 280 HE2 HIS 36 HE2 HIS 36 11.104 -3.271 -3.210 281 H ARG 37 HN ARG 37 10.079 -0.010 3.029 282 HA ARG 37 HA ARG 37 10.200 1.803 0.713 283 HB2 ARG 37 HB2 ARG 37 10.087 2.399 3.678 284 HB3 ARG 37 HB1 ARG 37 10.231 3.615 2.416 285 HG2 ARG 37 HG2 ARG 37 8.052 3.099 1.580 286 HG3 ARG 37 HG1 ARG 37 7.916 1.706 2.659 287 HD2 ARG 37 HD2 ARG 37 8.221 4.560 3.585 288 HD3 ARG 37 HD1 ARG 37 6.679 3.722 3.444 289 HE ARG 37 HE ARG 37 7.372 2.245 5.199 290 HH11 ARG 37 HH11 ARG 37 9.493 4.996 4.695 291 HH12 ARG 37 HH12 ARG 37 10.177 4.920 6.285 292 HH21 ARG 37 HH21 ARG 37 8.278 2.151 7.298 293 HH22 ARG 37 HH22 ARG 37 9.498 3.300 7.761 294 H ARG 38 HN ARG 38 12.233 1.646 -0.114 295 HA ARG 38 HA ARG 38 14.462 1.543 1.762 296 HB2 ARG 38 HB2 ARG 38 15.857 1.161 -0.300 297 HB3 ARG 38 HB1 ARG 38 14.698 -0.101 0.082 298 HG2 ARG 38 HG2 ARG 38 13.199 0.725 -1.641 299 HG3 ARG 38 HG1 ARG 38 14.321 2.041 -2.001 300 HD2 ARG 38 HD2 ARG 38 16.005 0.484 -2.710 301 HD3 ARG 38 HD1 ARG 38 15.020 -0.881 -2.193 302 HE ARG 38 HE ARG 38 13.784 0.801 -4.189 303 HH11 ARG 38 HH11 ARG 38 15.819 -1.981 -3.584 304 HH12 ARG 38 HH12 ARG 38 15.519 -2.700 -5.135 305 HH21 ARG 38 HH21 ARG 38 13.389 -0.135 -6.234 306 HH22 ARG 38 HH22 ARG 38 14.137 -1.649 -6.645 307 H ALA 39 HN ALA 39 15.241 3.381 2.433 308 HA ALA 39 HA ALA 39 15.709 5.541 0.524 309 HB1 ALA 39 HB1 ALA 39 14.231 5.937 3.127 310 HB2 ALA 39 HB2 ALA 39 13.537 6.060 1.511 311 HB3 ALA 39 HB3 ALA 39 14.759 7.219 2.036 312 H ASN 40 HN ASN 40 17.421 6.884 1.086 313 HA ASN 40 HA ASN 40 18.976 6.027 3.436 314 HB2 ASN 40 HB2 ASN 40 19.997 5.328 1.268 315 HB3 ASN 40 HB1 ASN 40 20.073 7.021 0.793 316 HD21 ASN 40 HD21 ASN 40 21.548 8.385 1.802 317 HD22 ASN 40 HD22 ASN 40 22.887 7.772 2.711 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 -14.163 -9.494 0.156 2 H2 ARG 1 HT2 ARG 1 -12.816 -9.780 -0.826 3 H3 ARG 1 HT3 ARG 1 -14.370 -10.027 -1.433 4 HA ARG 1 HA ARG 1 -14.853 -7.674 -1.228 5 HB2 ARG 1 HB2 ARG 1 -11.915 -7.430 -0.552 6 HB3 ARG 1 HB1 ARG 1 -13.068 -6.114 -0.708 7 HG2 ARG 1 HG2 ARG 1 -14.265 -6.892 1.249 8 HG3 ARG 1 HG1 ARG 1 -13.174 -8.273 1.386 9 HD2 ARG 1 HD2 ARG 1 -11.287 -6.669 1.630 10 HD3 ARG 1 HD1 ARG 1 -12.466 -5.358 1.668 11 HE ARG 1 HE ARG 1 -13.316 -7.042 3.618 12 HH11 ARG 1 HH11 ARG 1 -10.296 -5.416 2.927 13 HH12 ARG 1 HH12 ARG 1 -9.788 -5.388 4.587 14 HH21 ARG 1 HH21 ARG 1 -12.662 -6.967 5.807 15 HH22 ARG 1 HH22 ARG 1 -11.132 -6.261 6.219 16 H VAL 2 HN VAL 2 -15.240 -8.031 -3.392 17 HA VAL 2 HA VAL 2 -13.173 -8.651 -5.243 18 HB VAL 2 HB VAL 2 -15.483 -9.302 -5.685 19 HG11 VAL 2 HG11 VAL 2 -17.139 -7.632 -6.420 20 HG12 VAL 2 HG12 VAL 2 -16.025 -6.352 -5.941 21 HG13 VAL 2 HG13 VAL 2 -16.681 -7.450 -4.728 22 HG21 VAL 2 HG21 VAL 2 -15.618 -8.619 -8.030 23 HG22 VAL 2 HG22 VAL 2 -13.973 -9.059 -7.570 24 HG23 VAL 2 HG23 VAL 2 -14.420 -7.361 -7.728 25 H GLN 3 HN GLN 3 -14.735 -5.654 -4.232 26 HA GLN 3 HA GLN 3 -12.583 -4.206 -5.589 27 HB2 GLN 3 HB2 GLN 3 -14.104 -2.466 -6.341 28 HB3 GLN 3 HB1 GLN 3 -14.590 -4.017 -7.006 29 HG2 GLN 3 HG2 GLN 3 -16.377 -4.191 -5.395 30 HG3 GLN 3 HG1 GLN 3 -15.850 -2.703 -4.610 31 HE21 GLN 3 HE21 GLN 3 -18.420 -3.319 -5.797 32 HE22 GLN 3 HE22 GLN 3 -18.679 -2.137 -7.033 33 H GLY 4 HN GLY 4 -11.707 -2.582 -4.435 34 HA2 GLY 4 HA2 GLY 4 -11.724 -0.875 -2.781 35 HA3 GLY 4 HA1 GLY 4 -13.094 -1.674 -2.013 36 H ARG 5 HN ARG 5 -10.241 -0.807 -1.188 37 HA ARG 5 HA ARG 5 -9.019 -3.126 -0.119 38 HB2 ARG 5 HB2 ARG 5 -8.029 -0.786 -0.201 39 HB3 ARG 5 HB1 ARG 5 -9.101 -0.357 1.119 40 HG2 ARG 5 HG2 ARG 5 -7.017 -2.526 1.281 41 HG3 ARG 5 HG1 ARG 5 -6.752 -0.860 1.787 42 HD2 ARG 5 HD2 ARG 5 -8.761 -1.179 3.322 43 HD3 ARG 5 HD1 ARG 5 -8.620 -2.899 2.969 44 HE ARG 5 HE ARG 5 -6.757 -1.262 4.510 45 HH11 ARG 5 HH11 ARG 5 -7.513 -4.389 3.110 46 HH12 ARG 5 HH12 ARG 5 -6.424 -5.252 4.144 47 HH21 ARG 5 HH21 ARG 5 -5.355 -2.414 5.901 48 HH22 ARG 5 HH22 ARG 5 -5.215 -4.137 5.742 49 H TRP 6 HN TRP 6 -11.155 -0.711 1.313 50 HA TRP 6 HA TRP 6 -13.170 -2.319 2.193 51 HB2 TRP 6 HB2 TRP 6 -11.298 -3.297 3.682 52 HB3 TRP 6 HB1 TRP 6 -11.388 -1.776 4.569 53 HD1 TRP 6 HD1 TRP 6 -14.470 -3.570 3.167 54 HE1 TRP 6 HE1 TRP 6 -15.967 -4.292 5.142 55 HE3 TRP 6 HE3 TRP 6 -11.379 -2.303 7.040 56 HZ2 TRP 6 HZ2 TRP 6 -15.846 -4.315 7.962 57 HZ3 TRP 6 HZ3 TRP 6 -12.145 -2.705 9.343 58 HH2 TRP 6 HH2 TRP 6 -14.333 -3.691 9.794 59 H LYS 7 HN LYS 7 -11.160 0.115 3.810 60 HA LYS 7 HA LYS 7 -13.357 1.866 4.342 61 HB2 LYS 7 HB2 LYS 7 -10.387 2.467 4.359 62 HB3 LYS 7 HB1 LYS 7 -11.649 3.411 5.139 63 HG2 LYS 7 HG2 LYS 7 -12.003 1.798 6.787 64 HG3 LYS 7 HG1 LYS 7 -11.176 0.542 5.866 65 HD2 LYS 7 HD2 LYS 7 -9.741 1.227 7.658 66 HD3 LYS 7 HD1 LYS 7 -9.057 1.821 6.147 67 HE2 LYS 7 HE2 LYS 7 -8.875 3.563 7.758 68 HE3 LYS 7 HE1 LYS 7 -10.138 4.024 6.620 69 HZ1 LYS 7 HZ1 LYS 7 -11.794 3.286 8.217 70 HZ2 LYS 7 HZ2 LYS 7 -10.794 4.466 8.896 71 HZ3 LYS 7 HZ3 LYS 7 -10.579 2.845 9.308 72 H VAL 8 HN VAL 8 -10.401 2.577 2.519 73 HA VAL 8 HA VAL 8 -12.011 3.449 0.221 74 HB VAL 8 HB VAL 8 -9.552 4.941 1.181 75 HG11 VAL 8 HG11 VAL 8 -10.067 5.083 -1.227 76 HG12 VAL 8 HG12 VAL 8 -10.209 6.638 -0.412 77 HG13 VAL 8 HG13 VAL 8 -11.659 5.725 -0.829 78 HG21 VAL 8 HG21 VAL 8 -11.028 6.721 1.954 79 HG22 VAL 8 HG22 VAL 8 -11.341 5.219 2.825 80 HG23 VAL 8 HG23 VAL 8 -12.437 5.742 1.547 81 H ARG 9 HN ARG 9 -11.044 2.959 -1.758 82 HA ARG 9 HA ARG 9 -9.195 0.814 -1.790 83 HB2 ARG 9 HB2 ARG 9 -10.951 1.262 -3.525 84 HB3 ARG 9 HB1 ARG 9 -9.979 2.607 -4.097 85 HG2 ARG 9 HG2 ARG 9 -8.147 1.016 -4.586 86 HG3 ARG 9 HG1 ARG 9 -9.224 -0.304 -4.126 87 HD2 ARG 9 HD2 ARG 9 -9.234 -0.052 -6.527 88 HD3 ARG 9 HD1 ARG 9 -10.805 0.413 -5.876 89 HE ARG 9 HE ARG 9 -9.018 2.635 -6.191 90 HH11 ARG 9 HH11 ARG 9 -11.316 0.584 -7.857 91 HH12 ARG 9 HH12 ARG 9 -11.691 1.774 -9.063 92 HH21 ARG 9 HH21 ARG 9 -9.501 4.190 -7.782 93 HH22 ARG 9 HH22 ARG 9 -10.650 3.822 -9.028 94 H ALA 10 HN ALA 10 -8.795 4.161 -1.594 95 HA ALA 10 HA ALA 10 -5.966 3.943 -2.277 96 HB1 ALA 10 HB1 ALA 10 -7.172 5.474 -3.752 97 HB2 ALA 10 HB2 ALA 10 -5.978 6.325 -2.772 98 HB3 ALA 10 HB3 ALA 10 -7.689 6.412 -2.351 99 H SER 11 HN SER 11 -7.296 3.335 0.312 100 HA SER 11 HA SER 11 -6.734 5.382 2.170 101 HB2 SER 11 HB2 SER 11 -6.921 2.387 2.529 102 HB3 SER 11 HB1 SER 11 -6.742 3.521 3.866 103 HG SER 11 HG SER 11 -8.725 4.336 3.474 104 H PHE 12 HN PHE 12 -4.625 3.387 0.400 105 HA PHE 12 HA PHE 12 -2.416 3.684 2.273 106 HB2 PHE 12 HB2 PHE 12 -2.414 2.595 -0.553 107 HB3 PHE 12 HB1 PHE 12 -1.096 2.477 0.606 108 HD1 PHE 12 HD1 PHE 12 -4.257 1.107 -0.493 109 HD2 PHE 12 HD2 PHE 12 -1.316 1.018 2.581 110 HE1 PHE 12 HE1 PHE 12 -5.168 -1.030 0.308 111 HE2 PHE 12 HE2 PHE 12 -2.229 -1.119 3.393 112 HZ PHE 12 HZ PHE 12 -4.155 -2.147 2.256 113 H PHE 13 HN PHE 13 -3.967 5.566 0.061 114 HA PHE 13 HA PHE 13 -1.596 7.231 -0.438 115 HB2 PHE 13 HB2 PHE 13 -3.774 6.788 -2.491 116 HB3 PHE 13 HB1 PHE 13 -2.227 7.594 -2.721 117 HD1 PHE 13 HD1 PHE 13 -0.161 6.280 -2.904 118 HD2 PHE 13 HD2 PHE 13 -3.971 4.415 -2.595 119 HE1 PHE 13 HE1 PHE 13 0.814 4.161 -3.689 120 HE2 PHE 13 HE2 PHE 13 -3.004 2.294 -3.380 121 HZ PHE 13 HZ PHE 13 -0.607 2.166 -3.927 122 H LYS 14 HN LYS 14 -3.162 7.768 1.653 123 HA LYS 14 HA LYS 14 -5.474 9.337 0.992 124 HB2 LYS 14 HB2 LYS 14 -4.011 8.882 3.589 125 HB3 LYS 14 HB1 LYS 14 -5.459 9.866 3.457 126 HG2 LYS 14 HG2 LYS 14 -6.782 7.999 2.849 127 HG3 LYS 14 HG1 LYS 14 -5.358 6.984 2.615 128 HD2 LYS 14 HD2 LYS 14 -6.520 6.493 4.728 129 HD3 LYS 14 HD1 LYS 14 -4.874 7.064 4.990 130 HE2 LYS 14 HE2 LYS 14 -5.767 9.321 5.453 131 HE3 LYS 14 HE1 LYS 14 -7.400 8.689 5.258 132 HZ1 LYS 14 HZ1 LYS 14 -7.038 7.222 7.124 133 HZ2 LYS 14 HZ2 LYS 14 -6.735 8.818 7.587 134 HZ3 LYS 14 HZ3 LYS 14 -5.445 7.766 7.293 135 H GLY 15 HN GLY 15 -2.289 9.985 0.751 136 HA2 GLY 15 HA2 GLY 15 -2.654 12.847 1.362 137 HA3 GLY 15 HA1 GLY 15 -1.104 12.019 1.408 138 H GLY 16 HN GLY 16 -2.407 14.320 -0.203 139 HA2 GLY 16 HA2 GLY 16 -1.553 13.325 -2.851 140 HA3 GLY 16 HA1 GLY 16 -2.860 14.481 -2.636 141 H GLY 17 HN GLY 17 0.066 14.614 -0.744 142 HA2 GLY 17 HA2 GLY 17 1.722 16.197 -2.240 143 HA3 GLY 17 HA1 GLY 17 0.551 17.314 -1.559 144 H GLY 18 HN GLY 18 3.135 15.077 -0.853 145 HA2 GLY 18 HA2 GLY 18 4.753 15.548 0.833 146 HA3 GLY 18 HA1 GLY 18 3.527 16.449 1.715 147 H SER 19 HN SER 19 1.503 14.908 2.132 148 HA SER 19 HA SER 19 2.558 12.686 3.674 149 HB2 SER 19 HB2 SER 19 0.861 14.278 4.635 150 HB3 SER 19 HB1 SER 19 -0.307 13.649 3.474 151 HG SER 19 HG SER 19 0.979 12.268 5.592 152 H GLY 20 HN GLY 20 1.440 10.564 3.549 153 HA2 GLY 20 HA2 GLY 20 0.335 8.874 2.340 154 HA3 GLY 20 HA1 GLY 20 0.196 9.976 0.974 155 H PHE 21 HN PHE 21 2.596 8.208 2.878 156 HA PHE 21 HA PHE 21 4.648 8.447 0.929 157 HB2 PHE 21 HB2 PHE 21 4.908 7.983 3.432 158 HB3 PHE 21 HB1 PHE 21 4.478 6.317 3.062 159 HD1 PHE 21 HD1 PHE 21 6.012 4.875 1.854 160 HD2 PHE 21 HD2 PHE 21 7.018 8.912 2.744 161 HE1 PHE 21 HE1 PHE 21 8.369 4.405 1.324 162 HE2 PHE 21 HE2 PHE 21 9.374 8.447 2.216 163 HZ PHE 21 HZ PHE 21 10.051 6.191 1.507 164 H ALA 22 HN ALA 22 4.462 7.579 -1.017 165 HA ALA 22 HA ALA 22 3.370 4.851 -1.242 166 HB1 ALA 22 HB1 ALA 22 3.044 7.120 -3.202 167 HB2 ALA 22 HB2 ALA 22 1.792 6.471 -2.144 168 HB3 ALA 22 HB3 ALA 22 2.465 5.471 -3.431 169 H TRP 23 HN TRP 23 6.126 6.230 -1.109 170 HA TRP 23 HA TRP 23 7.356 5.475 -3.598 171 HB2 TRP 23 HB2 TRP 23 8.310 7.350 -2.565 172 HB3 TRP 23 HB1 TRP 23 8.277 6.613 -0.974 173 HD1 TRP 23 HD1 TRP 23 10.281 5.159 -0.261 174 HE1 TRP 23 HE1 TRP 23 12.646 4.784 -1.231 175 HE3 TRP 23 HE3 TRP 23 9.561 7.181 -4.888 176 HZ2 TRP 23 HZ2 TRP 23 14.006 5.288 -3.655 177 HZ3 TRP 23 HZ3 TRP 23 11.438 7.195 -6.476 178 HH2 TRP 23 HH2 TRP 23 13.614 6.270 -5.873 179 H ASN 24 HN ASN 24 6.511 4.020 -0.660 180 HA ASN 24 HA ASN 24 8.450 2.001 -0.452 181 HB2 ASN 24 HB2 ASN 24 6.661 0.743 0.823 182 HB3 ASN 24 HB1 ASN 24 7.063 2.335 1.438 183 HD21 ASN 24 HD21 ASN 24 4.982 1.743 -1.364 184 HD22 ASN 24 HD22 ASN 24 3.526 2.303 -0.609 185 H VAL 25 HN VAL 25 8.532 -0.101 -1.193 186 HA VAL 25 HA VAL 25 6.887 -0.594 -3.577 187 HB VAL 25 HB VAL 25 9.431 -2.023 -2.789 188 HG11 VAL 25 HG11 VAL 25 9.445 -2.692 -5.167 189 HG12 VAL 25 HG12 VAL 25 7.877 -1.913 -5.372 190 HG13 VAL 25 HG13 VAL 25 8.039 -3.299 -4.294 191 HG21 VAL 25 HG21 VAL 25 9.923 0.331 -3.143 192 HG22 VAL 25 HG22 VAL 25 9.071 0.296 -4.686 193 HG23 VAL 25 HG23 VAL 25 10.555 -0.633 -4.477 194 H CYS 26 HN CYS 26 5.204 -1.850 -3.239 195 HA CYS 26 HA CYS 26 5.195 -3.694 -0.989 196 HB2 CYS 26 HB2 CYS 26 2.984 -2.837 -2.861 197 HB3 CYS 26 HB1 CYS 26 2.776 -3.916 -1.486 198 H VAL 27 HN VAL 27 5.989 -5.629 -1.324 199 HA VAL 27 HA VAL 27 5.406 -6.983 -3.873 200 HB VAL 27 HB VAL 27 7.243 -8.538 -3.299 201 HG11 VAL 27 HG11 VAL 27 9.104 -6.970 -3.670 202 HG12 VAL 27 HG12 VAL 27 8.015 -5.625 -3.324 203 HG13 VAL 27 HG13 VAL 27 7.729 -6.654 -4.727 204 HG21 VAL 27 HG21 VAL 27 8.786 -8.002 -1.477 205 HG22 VAL 27 HG22 VAL 27 7.164 -8.337 -0.869 206 HG23 VAL 27 HG23 VAL 27 7.738 -6.673 -0.979 207 H TYR 28 HN TYR 28 4.866 -9.272 -3.731 208 HA TYR 28 HA TYR 28 3.395 -9.851 -1.261 209 HB2 TYR 28 HB2 TYR 28 2.890 -10.723 -4.103 210 HB3 TYR 28 HB1 TYR 28 2.043 -11.395 -2.715 211 HD1 TYR 28 HD1 TYR 28 2.225 -8.670 -5.051 212 HD2 TYR 28 HD2 TYR 28 0.650 -9.857 -1.285 213 HE1 TYR 28 HE1 TYR 28 0.612 -6.829 -5.149 214 HE2 TYR 28 HE2 TYR 28 -0.972 -8.019 -1.375 215 HH TYR 28 HH TYR 28 -1.624 -6.284 -4.187 216 H ARG 29 HN ARG 29 4.485 -11.154 -0.016 217 HA ARG 29 HA ARG 29 5.983 -13.365 -1.256 218 HB2 ARG 29 HB2 ARG 29 6.333 -12.123 1.479 219 HB3 ARG 29 HB1 ARG 29 7.276 -13.460 0.839 220 HG2 ARG 29 HG2 ARG 29 8.050 -11.950 -0.985 221 HG3 ARG 29 HG1 ARG 29 7.236 -10.623 -0.155 222 HD2 ARG 29 HD2 ARG 29 9.579 -10.634 0.435 223 HD3 ARG 29 HD1 ARG 29 8.610 -11.067 1.843 224 HE ARG 29 HE ARG 29 9.603 -13.310 0.307 225 HH11 ARG 29 HH11 ARG 29 10.221 -11.118 2.967 226 HH12 ARG 29 HH12 ARG 29 11.299 -12.209 3.777 227 HH21 ARG 29 HH21 ARG 29 11.034 -14.730 1.353 228 HH22 ARG 29 HH22 ARG 29 11.778 -14.259 2.849 229 H ASN 30 HN ASN 30 4.706 -15.082 -1.323 230 HA ASN 30 HA ASN 30 3.386 -16.816 -0.697 231 HB2 ASN 30 HB2 ASN 30 5.094 -16.913 1.185 232 HB3 ASN 30 HB1 ASN 30 3.932 -16.039 2.174 233 HD21 ASN 30 HD21 ASN 30 3.157 -18.507 -0.214 234 HD22 ASN 30 HD22 ASN 30 2.555 -19.666 0.918 235 H GLY 31 HN GLY 31 2.181 -14.357 -1.269 236 HA2 GLY 31 HA2 GLY 31 -0.003 -13.598 -1.291 237 HA3 GLY 31 HA1 GLY 31 -0.389 -14.769 -0.039 238 H VAL 32 HN VAL 32 2.259 -13.140 1.019 239 HA VAL 32 HA VAL 32 0.606 -11.393 2.696 240 HB VAL 32 HB VAL 32 3.497 -12.210 3.062 241 HG11 VAL 32 HG11 VAL 32 1.604 -10.799 4.939 242 HG12 VAL 32 HG12 VAL 32 2.997 -10.083 4.128 243 HG13 VAL 32 HG13 VAL 32 3.233 -11.342 5.340 244 HG21 VAL 32 HG21 VAL 32 1.009 -13.252 4.412 245 HG22 VAL 32 HG22 VAL 32 2.665 -13.677 4.844 246 HG23 VAL 32 HG23 VAL 32 2.022 -14.130 3.266 247 H ARG 33 HN ARG 33 0.710 -9.237 2.536 248 HA ARG 33 HA ARG 33 2.296 -8.088 0.412 249 HB2 ARG 33 HB2 ARG 33 -0.029 -7.388 0.702 250 HB3 ARG 33 HB1 ARG 33 0.321 -6.836 2.333 251 HG2 ARG 33 HG2 ARG 33 1.845 -5.143 1.423 252 HG3 ARG 33 HG1 ARG 33 1.456 -5.687 -0.209 253 HD2 ARG 33 HD2 ARG 33 -0.871 -5.074 0.117 254 HD3 ARG 33 HD1 ARG 33 -0.534 -4.598 1.780 255 HE ARG 33 HE ARG 33 1.139 -3.003 0.493 256 HH11 ARG 33 HH11 ARG 33 -2.210 -3.759 -0.185 257 HH12 ARG 33 HH12 ARG 33 -2.519 -2.252 -0.988 258 HH21 ARG 33 HH21 ARG 33 0.726 -1.001 -0.550 259 HH22 ARG 33 HH22 ARG 33 -0.858 -0.685 -1.189 260 H VAL 34 HN VAL 34 4.350 -7.581 0.782 261 HA VAL 34 HA VAL 34 5.025 -6.314 3.364 262 HB VAL 34 HB VAL 34 6.948 -7.668 1.465 263 HG11 VAL 34 HG11 VAL 34 7.967 -5.954 2.851 264 HG12 VAL 34 HG12 VAL 34 8.498 -7.556 3.363 265 HG13 VAL 34 HG13 VAL 34 7.279 -6.691 4.298 266 HG21 VAL 34 HG21 VAL 34 5.739 -8.739 4.014 267 HG22 VAL 34 HG22 VAL 34 7.027 -9.509 3.087 268 HG23 VAL 34 HG23 VAL 34 5.420 -9.326 2.382 269 H CYS 35 HN CYS 35 5.032 -4.156 3.095 270 HA CYS 35 HA CYS 35 6.020 -3.067 0.557 271 HB2 CYS 35 HB2 CYS 35 4.581 -1.629 2.792 272 HB3 CYS 35 HB1 CYS 35 4.996 -0.966 1.217 273 H HIS 36 HN HIS 36 8.165 -2.987 0.658 274 HA HIS 36 HA HIS 36 9.432 -2.039 3.100 275 HB2 HIS 36 HB2 HIS 36 11.586 -2.581 1.877 276 HB3 HIS 36 HB1 HIS 36 10.541 -3.944 2.244 277 HD1 HIS 36 HD1 HIS 36 10.044 -5.469 0.346 278 HD2 HIS 36 HD2 HIS 36 11.396 -1.754 -0.946 279 HE1 HIS 36 HE1 HIS 36 10.297 -5.670 -2.146 280 HE2 HIS 36 HE2 HIS 36 11.296 -3.475 -2.874 281 H ARG 37 HN ARG 37 10.138 -0.078 3.399 282 HA ARG 37 HA ARG 37 9.875 1.892 1.274 283 HB2 ARG 37 HB2 ARG 37 10.615 2.175 4.199 284 HB3 ARG 37 HB1 ARG 37 10.348 3.513 3.090 285 HG2 ARG 37 HG2 ARG 37 8.051 3.067 2.930 286 HG3 ARG 37 HG1 ARG 37 8.224 1.459 3.636 287 HD2 ARG 37 HD2 ARG 37 8.723 4.060 5.082 288 HD3 ARG 37 HD1 ARG 37 7.246 3.104 5.200 289 HE ARG 37 HE ARG 37 9.647 1.643 5.830 290 HH11 ARG 37 HH11 ARG 37 7.119 3.697 7.113 291 HH12 ARG 37 HH12 ARG 37 7.293 3.110 8.733 292 HH21 ARG 37 HH21 ARG 37 9.887 0.868 7.942 293 HH22 ARG 37 HH22 ARG 37 8.895 1.513 9.214 294 H ARG 38 HN ARG 38 11.569 1.753 -0.114 295 HA ARG 38 HA ARG 38 14.177 0.998 0.791 296 HB2 ARG 38 HB2 ARG 38 14.827 1.300 -1.596 297 HB3 ARG 38 HB1 ARG 38 13.483 0.197 -1.353 298 HG2 ARG 38 HG2 ARG 38 11.913 1.888 -2.066 299 HG3 ARG 38 HG1 ARG 38 13.215 3.071 -2.205 300 HD2 ARG 38 HD2 ARG 38 14.266 1.721 -3.938 301 HD3 ARG 38 HD1 ARG 38 12.989 0.518 -3.795 302 HE ARG 38 HE ARG 38 11.519 2.578 -4.430 303 HH11 ARG 38 HH11 ARG 38 14.694 1.805 -5.682 304 HH12 ARG 38 HH12 ARG 38 14.401 2.531 -7.226 305 HH21 ARG 38 HH21 ARG 38 11.129 3.530 -6.475 306 HH22 ARG 38 HH22 ARG 38 12.372 3.487 -7.684 307 H ALA 39 HN ALA 39 15.848 2.224 1.306 308 HA ALA 39 HA ALA 39 15.805 5.075 0.600 309 HB1 ALA 39 HB1 ALA 39 16.601 5.678 2.820 310 HB2 ALA 39 HB2 ALA 39 16.529 3.988 3.318 311 HB3 ALA 39 HB3 ALA 39 15.045 4.854 2.920 312 H ASN 40 HN ASN 40 17.304 2.324 0.098 313 HA ASN 40 HA ASN 40 20.032 3.364 0.367 314 HB2 ASN 40 HB2 ASN 40 19.668 1.125 1.297 315 HB3 ASN 40 HB1 ASN 40 19.055 0.567 -0.254 316 HD21 ASN 40 HD21 ASN 40 20.590 -1.007 -0.489 317 HD22 ASN 40 HD22 ASN 40 22.252 -0.660 -0.814 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 25.370 31.442 -14.207 2 H2 ARG 1 HT2 ARG 1 24.339 30.402 -15.049 3 H3 ARG 1 HT3 ARG 1 24.741 30.072 -13.444 4 HA ARG 1 HA ARG 1 23.612 32.044 -12.706 5 HB2 ARG 1 HB2 ARG 1 22.971 32.348 -15.641 6 HB3 ARG 1 HB1 ARG 1 22.146 33.234 -14.366 7 HG2 ARG 1 HG2 ARG 1 24.243 34.265 -13.700 8 HG3 ARG 1 HG1 ARG 1 25.100 33.345 -14.935 9 HD2 ARG 1 HD2 ARG 1 23.872 34.479 -16.683 10 HD3 ARG 1 HD1 ARG 1 22.898 35.330 -15.486 11 HE ARG 1 HE ARG 1 25.393 36.056 -14.803 12 HH11 ARG 1 HH11 ARG 1 23.749 36.035 -17.899 13 HH12 ARG 1 HH12 ARG 1 24.622 37.405 -18.509 14 HH21 ARG 1 HH21 ARG 1 26.541 37.848 -15.602 15 HH22 ARG 1 HH22 ARG 1 26.216 38.437 -17.200 16 H VAL 2 HN VAL 2 22.345 30.007 -15.352 17 HA VAL 2 HA VAL 2 19.936 29.516 -13.765 18 HB VAL 2 HB VAL 2 20.463 28.517 -16.565 19 HG11 VAL 2 HG11 VAL 2 18.014 28.553 -16.731 20 HG12 VAL 2 HG12 VAL 2 17.917 29.091 -15.055 21 HG13 VAL 2 HG13 VAL 2 18.574 27.499 -15.434 22 HG21 VAL 2 HG21 VAL 2 19.335 30.503 -17.417 23 HG22 VAL 2 HG22 VAL 2 20.809 30.936 -16.550 24 HG23 VAL 2 HG23 VAL 2 19.236 31.158 -15.784 25 H GLN 3 HN GLN 3 22.302 28.397 -12.775 26 HA GLN 3 HA GLN 3 21.776 25.540 -13.201 27 HB2 GLN 3 HB2 GLN 3 24.460 26.859 -12.773 28 HB3 GLN 3 HB1 GLN 3 24.195 25.126 -12.666 29 HG2 GLN 3 HG2 GLN 3 25.037 25.447 -14.806 30 HG3 GLN 3 HG1 GLN 3 23.301 25.291 -15.048 31 HE21 GLN 3 HE21 GLN 3 23.279 26.402 -16.972 32 HE22 GLN 3 HE22 GLN 3 23.573 28.104 -17.073 33 H GLY 4 HN GLY 4 20.355 25.552 -11.435 34 HA2 GLY 4 HA2 GLY 4 21.605 26.161 -8.834 35 HA3 GLY 4 HA1 GLY 4 19.882 26.251 -9.157 36 H ARG 5 HN ARG 5 21.469 23.546 -10.541 37 HA ARG 5 HA ARG 5 19.894 21.733 -9.066 38 HB2 ARG 5 HB2 ARG 5 21.119 19.964 -10.183 39 HB3 ARG 5 HB1 ARG 5 20.730 21.237 -11.325 40 HG2 ARG 5 HG2 ARG 5 22.882 20.787 -11.922 41 HG3 ARG 5 HG1 ARG 5 23.156 22.064 -10.739 42 HD2 ARG 5 HD2 ARG 5 24.681 20.147 -10.441 43 HD3 ARG 5 HD1 ARG 5 23.660 20.427 -9.029 44 HE ARG 5 HE ARG 5 22.648 18.477 -10.921 45 HH11 ARG 5 HH11 ARG 5 24.552 18.995 -8.028 46 HH12 ARG 5 HH12 ARG 5 24.362 17.369 -7.458 47 HH21 ARG 5 HH21 ARG 5 22.408 16.340 -10.182 48 HH22 ARG 5 HH22 ARG 5 23.159 15.854 -8.693 49 H TRP 6 HN TRP 6 23.009 23.097 -8.466 50 HA TRP 6 HA TRP 6 23.512 21.192 -6.308 51 HB2 TRP 6 HB2 TRP 6 25.740 22.174 -6.193 52 HB3 TRP 6 HB1 TRP 6 25.352 21.680 -7.828 53 HD1 TRP 6 HD1 TRP 6 25.425 24.972 -5.762 54 HE1 TRP 6 HE1 TRP 6 26.136 26.876 -7.346 55 HE3 TRP 6 HE3 TRP 6 25.687 22.329 -10.131 56 HZ2 TRP 6 HZ2 TRP 6 26.738 27.200 -10.087 57 HZ3 TRP 6 HZ3 TRP 6 26.348 23.508 -12.185 58 HH2 TRP 6 HH2 TRP 6 26.862 25.894 -12.163 59 H LYS 7 HN LYS 7 22.123 24.150 -6.842 60 HA LYS 7 HA LYS 7 22.726 25.320 -4.263 61 HB2 LYS 7 HB2 LYS 7 20.783 26.157 -6.423 62 HB3 LYS 7 HB1 LYS 7 21.088 27.065 -4.950 63 HG2 LYS 7 HG2 LYS 7 23.466 27.269 -5.653 64 HG3 LYS 7 HG1 LYS 7 23.020 26.519 -7.188 65 HD2 LYS 7 HD2 LYS 7 21.412 28.317 -7.599 66 HD3 LYS 7 HD1 LYS 7 21.852 29.066 -6.064 67 HE2 LYS 7 HE2 LYS 7 23.008 30.219 -7.806 68 HE3 LYS 7 HE1 LYS 7 24.187 29.261 -6.911 69 HZ1 LYS 7 HZ1 LYS 7 24.593 29.028 -9.237 70 HZ2 LYS 7 HZ2 LYS 7 22.987 28.598 -9.542 71 HZ3 LYS 7 HZ3 LYS 7 23.989 27.556 -8.669 72 H VAL 8 HN VAL 8 20.046 23.687 -5.862 73 HA VAL 8 HA VAL 8 17.957 23.117 -5.193 74 HB VAL 8 HB VAL 8 19.379 21.296 -4.307 75 HG11 VAL 8 HG11 VAL 8 19.787 21.084 -1.908 76 HG12 VAL 8 HG12 VAL 8 19.169 22.716 -1.661 77 HG13 VAL 8 HG13 VAL 8 20.640 22.463 -2.601 78 HG21 VAL 8 HG21 VAL 8 16.893 21.909 -2.726 79 HG22 VAL 8 HG22 VAL 8 17.677 20.332 -2.809 80 HG23 VAL 8 HG23 VAL 8 16.990 21.052 -4.264 81 H ARG 9 HN ARG 9 18.135 25.705 -4.892 82 HA ARG 9 HA ARG 9 17.004 26.353 -2.261 83 HB2 ARG 9 HB2 ARG 9 18.029 28.147 -4.466 84 HB3 ARG 9 HB1 ARG 9 17.299 28.725 -2.977 85 HG2 ARG 9 HG2 ARG 9 19.094 27.687 -1.690 86 HG3 ARG 9 HG1 ARG 9 19.827 27.104 -3.187 87 HD2 ARG 9 HD2 ARG 9 20.075 29.425 -3.949 88 HD3 ARG 9 HD1 ARG 9 19.372 29.987 -2.432 89 HE ARG 9 HE ARG 9 21.639 28.312 -1.991 90 HH11 ARG 9 HH11 ARG 9 20.663 31.555 -2.855 91 HH12 ARG 9 HH12 ARG 9 22.130 32.289 -2.296 92 HH21 ARG 9 HH21 ARG 9 23.592 29.275 -1.250 93 HH22 ARG 9 HH22 ARG 9 23.794 30.992 -1.379 94 H ALA 10 HN ALA 10 16.186 25.714 -5.470 95 HA ALA 10 HA ALA 10 13.807 27.280 -5.642 96 HB1 ALA 10 HB1 ALA 10 14.627 24.854 -7.236 97 HB2 ALA 10 HB2 ALA 10 15.012 26.526 -7.641 98 HB3 ALA 10 HB3 ALA 10 13.335 25.980 -7.649 99 H SER 11 HN SER 11 14.414 25.115 -3.464 100 HA SER 11 HA SER 11 12.076 23.431 -3.694 101 HB2 SER 11 HB2 SER 11 12.947 22.644 -1.398 102 HB3 SER 11 HB1 SER 11 13.954 22.310 -2.809 103 HG SER 11 HG SER 11 15.377 23.215 -1.477 104 H PHE 12 HN PHE 12 12.460 26.547 -2.924 105 HA PHE 12 HA PHE 12 11.082 26.750 -0.450 106 HB2 PHE 12 HB2 PHE 12 10.972 29.128 -0.859 107 HB3 PHE 12 HB1 PHE 12 12.563 28.541 -1.317 108 HD1 PHE 12 HD1 PHE 12 9.448 30.019 -2.484 109 HD2 PHE 12 HD2 PHE 12 13.233 28.476 -3.664 110 HE1 PHE 12 HE1 PHE 12 9.201 31.103 -4.680 111 HE2 PHE 12 HE2 PHE 12 12.992 29.552 -5.861 112 HZ PHE 12 HZ PHE 12 10.976 30.869 -6.371 113 H PHE 13 HN PHE 13 10.057 26.268 -3.685 114 HA PHE 13 HA PHE 13 7.287 26.551 -2.762 115 HB2 PHE 13 HB2 PHE 13 6.616 26.733 -5.145 116 HB3 PHE 13 HB1 PHE 13 7.652 28.048 -4.620 117 HD1 PHE 13 HD1 PHE 13 7.195 25.358 -6.955 118 HD2 PHE 13 HD2 PHE 13 10.060 28.049 -5.333 119 HE1 PHE 13 HE1 PHE 13 8.662 24.959 -8.890 120 HE2 PHE 13 HE2 PHE 13 11.532 27.652 -7.261 121 HZ PHE 13 HZ PHE 13 10.833 26.104 -9.044 122 H LYS 14 HN LYS 14 6.556 24.674 -2.116 123 HA LYS 14 HA LYS 14 7.666 22.210 -3.078 124 HB2 LYS 14 HB2 LYS 14 5.410 22.783 -1.156 125 HB3 LYS 14 HB1 LYS 14 5.987 21.166 -1.531 126 HG2 LYS 14 HG2 LYS 14 7.635 23.363 -0.290 127 HG3 LYS 14 HG1 LYS 14 6.904 22.009 0.575 128 HD2 LYS 14 HD2 LYS 14 8.230 20.470 -0.894 129 HD3 LYS 14 HD1 LYS 14 9.059 21.891 -1.531 130 HE2 LYS 14 HE2 LYS 14 9.000 21.056 1.364 131 HE3 LYS 14 HE1 LYS 14 10.333 20.765 0.255 132 HZ1 LYS 14 HZ1 LYS 14 10.814 22.687 1.560 133 HZ2 LYS 14 HZ2 LYS 14 9.334 23.402 1.178 134 HZ3 LYS 14 HZ3 LYS 14 10.508 23.206 -0.023 135 H GLY 15 HN GLY 15 5.303 24.256 -4.151 136 HA2 GLY 15 HA2 GLY 15 3.483 22.321 -5.240 137 HA3 GLY 15 HA1 GLY 15 3.523 24.038 -5.610 138 H GLY 16 HN GLY 16 6.571 23.329 -6.095 139 HA2 GLY 16 HA2 GLY 16 6.359 23.250 -8.930 140 HA3 GLY 16 HA1 GLY 16 7.842 23.117 -7.996 141 H GLY 17 HN GLY 17 6.827 20.823 -6.469 142 HA2 GLY 17 HA2 GLY 17 7.631 18.757 -8.295 143 HA3 GLY 17 HA1 GLY 17 7.164 18.541 -6.613 144 H GLY 18 HN GLY 18 4.803 18.739 -6.154 145 HA2 GLY 18 HA2 GLY 18 2.555 18.508 -6.707 146 HA3 GLY 18 HA1 GLY 18 3.008 18.388 -8.400 147 H SER 19 HN SER 19 4.719 16.266 -8.417 148 HA SER 19 HA SER 19 2.848 14.093 -8.043 149 HB2 SER 19 HB2 SER 19 4.741 12.788 -9.188 150 HB3 SER 19 HB1 SER 19 3.945 14.048 -10.130 151 HG SER 19 HG SER 19 6.233 14.152 -10.285 152 H GLY 20 HN GLY 20 2.719 13.216 -6.094 153 HA2 GLY 20 HA2 GLY 20 5.054 12.974 -4.384 154 HA3 GLY 20 HA1 GLY 20 3.407 12.494 -3.985 155 H PHE 21 HN PHE 21 6.372 11.567 -5.520 156 HA PHE 21 HA PHE 21 5.650 9.224 -6.801 157 HB2 PHE 21 HB2 PHE 21 8.260 9.748 -5.371 158 HB3 PHE 21 HB1 PHE 21 7.994 8.577 -6.658 159 HD1 PHE 21 HD1 PHE 21 7.126 9.550 -8.911 160 HD2 PHE 21 HD2 PHE 21 9.050 11.847 -5.891 161 HE1 PHE 21 HE1 PHE 21 7.712 11.253 -10.585 162 HE2 PHE 21 HE2 PHE 21 9.637 13.557 -7.558 163 HZ PHE 21 HZ PHE 21 8.967 13.261 -9.910 164 H ALA 22 HN ALA 22 5.425 7.120 -6.244 165 HA ALA 22 HA ALA 22 4.982 6.559 -3.419 166 HB1 ALA 22 HB1 ALA 22 4.365 4.923 -5.879 167 HB2 ALA 22 HB2 ALA 22 3.229 5.933 -4.984 168 HB3 ALA 22 HB3 ALA 22 3.917 4.497 -4.228 169 H TRP 23 HN TRP 23 7.104 6.415 -2.663 170 HA TRP 23 HA TRP 23 9.017 4.696 -3.951 171 HB2 TRP 23 HB2 TRP 23 9.176 6.029 -1.242 172 HB3 TRP 23 HB1 TRP 23 10.517 5.332 -2.147 173 HD1 TRP 23 HD1 TRP 23 10.684 6.585 -4.790 174 HE1 TRP 23 HE1 TRP 23 10.750 9.124 -5.221 175 HE3 TRP 23 HE3 TRP 23 8.633 8.204 -0.399 176 HZ2 TRP 23 HZ2 TRP 23 10.028 11.493 -3.870 177 HZ3 TRP 23 HZ3 TRP 23 8.358 10.623 -0.044 178 HH2 TRP 23 HH2 TRP 23 9.043 12.232 -1.746 179 H ASN 24 HN ASN 24 6.623 4.379 -1.499 180 HA ASN 24 HA ASN 24 7.736 2.039 -0.290 181 HB2 ASN 24 HB2 ASN 24 5.368 1.757 0.637 182 HB3 ASN 24 HB1 ASN 24 6.257 3.192 1.120 183 HD21 ASN 24 HD21 ASN 24 4.350 4.214 1.671 184 HD22 ASN 24 HD22 ASN 24 3.270 4.858 0.481 185 H VAL 25 HN VAL 25 8.129 0.378 -1.600 186 HA VAL 25 HA VAL 25 6.105 -0.405 -3.543 187 HB VAL 25 HB VAL 25 7.785 -1.972 -4.406 188 HG11 VAL 25 HG11 VAL 25 8.781 0.851 -4.066 189 HG12 VAL 25 HG12 VAL 25 7.704 0.261 -5.331 190 HG13 VAL 25 HG13 VAL 25 9.374 -0.299 -5.264 191 HG21 VAL 25 HG21 VAL 25 8.968 -2.473 -2.340 192 HG22 VAL 25 HG22 VAL 25 9.585 -0.823 -2.282 193 HG23 VAL 25 HG23 VAL 25 10.088 -1.907 -3.579 194 H CYS 26 HN CYS 26 4.884 -2.181 -3.373 195 HA CYS 26 HA CYS 26 5.252 -3.826 -0.960 196 HB2 CYS 26 HB2 CYS 26 2.697 -3.176 -2.440 197 HB3 CYS 26 HB1 CYS 26 2.822 -4.188 -1.006 198 H VAL 27 HN VAL 27 5.821 -5.852 -1.319 199 HA VAL 27 HA VAL 27 5.046 -7.091 -3.878 200 HB VAL 27 HB VAL 27 6.895 -8.685 -3.536 201 HG11 VAL 27 HG11 VAL 27 7.284 -6.696 -4.876 202 HG12 VAL 27 HG12 VAL 27 8.742 -7.139 -3.988 203 HG13 VAL 27 HG13 VAL 27 7.745 -5.793 -3.433 204 HG21 VAL 27 HG21 VAL 27 8.563 -8.314 -1.803 205 HG22 VAL 27 HG22 VAL 27 6.976 -8.592 -1.086 206 HG23 VAL 27 HG23 VAL 27 7.630 -6.957 -1.173 207 H TYR 28 HN TYR 28 4.330 -9.283 -3.820 208 HA TYR 28 HA TYR 28 3.041 -9.949 -1.277 209 HB2 TYR 28 HB2 TYR 28 2.403 -10.767 -4.113 210 HB3 TYR 28 HB1 TYR 28 1.596 -11.433 -2.699 211 HD1 TYR 28 HD1 TYR 28 1.924 -8.529 -4.884 212 HD2 TYR 28 HD2 TYR 28 0.100 -10.044 -1.348 213 HE1 TYR 28 HE1 TYR 28 0.339 -6.656 -4.906 214 HE2 TYR 28 HE2 TYR 28 -1.488 -8.174 -1.363 215 HH TYR 28 HH TYR 28 -1.888 -6.118 -4.045 216 H ARG 29 HN ARG 29 4.545 -11.064 -0.185 217 HA ARG 29 HA ARG 29 6.008 -13.209 -1.516 218 HB2 ARG 29 HB2 ARG 29 6.232 -12.056 1.268 219 HB3 ARG 29 HB1 ARG 29 7.241 -13.353 0.643 220 HG2 ARG 29 HG2 ARG 29 8.174 -11.889 -1.026 221 HG3 ARG 29 HG1 ARG 29 7.078 -10.592 -0.545 222 HD2 ARG 29 HD2 ARG 29 9.268 -10.213 0.405 223 HD3 ARG 29 HD1 ARG 29 8.114 -10.575 1.685 224 HE ARG 29 HE ARG 29 9.831 -12.713 0.630 225 HH11 ARG 29 HH11 ARG 29 8.870 -10.628 3.276 226 HH12 ARG 29 HH12 ARG 29 9.741 -11.525 4.471 227 HH21 ARG 29 HH21 ARG 29 11.011 -13.877 2.201 228 HH22 ARG 29 HH22 ARG 29 10.969 -13.367 3.862 229 H ASN 30 HN ASN 30 4.593 -14.832 -1.807 230 HA ASN 30 HA ASN 30 3.261 -16.613 -1.370 231 HB2 ASN 30 HB2 ASN 30 5.358 -17.144 -0.028 232 HB3 ASN 30 HB1 ASN 30 4.471 -16.609 1.394 233 HD21 ASN 30 HD21 ASN 30 4.736 -19.034 -1.078 234 HD22 ASN 30 HD22 ASN 30 3.724 -20.213 -0.314 235 H GLY 31 HN GLY 31 1.802 -14.420 -1.230 236 HA2 GLY 31 HA2 GLY 31 -0.423 -14.075 -0.650 237 HA3 GLY 31 HA1 GLY 31 -0.244 -15.246 0.645 238 H VAL 32 HN VAL 32 2.291 -13.168 0.938 239 HA VAL 32 HA VAL 32 0.790 -11.513 2.859 240 HB VAL 32 HB VAL 32 3.691 -12.354 3.036 241 HG11 VAL 32 HG11 VAL 32 3.287 -10.182 4.056 242 HG12 VAL 32 HG12 VAL 32 3.596 -11.399 5.294 243 HG13 VAL 32 HG13 VAL 32 1.948 -10.852 4.988 244 HG21 VAL 32 HG21 VAL 32 2.969 -13.743 4.928 245 HG22 VAL 32 HG22 VAL 32 2.212 -14.245 3.417 246 HG23 VAL 32 HG23 VAL 32 1.292 -13.311 4.595 247 H ARG 33 HN ARG 33 0.676 -9.445 2.342 248 HA ARG 33 HA ARG 33 2.369 -8.302 0.316 249 HB2 ARG 33 HB2 ARG 33 0.054 -7.627 0.373 250 HB3 ARG 33 HB1 ARG 33 0.193 -7.137 2.053 251 HG2 ARG 33 HG2 ARG 33 1.664 -5.316 1.434 252 HG3 ARG 33 HG1 ARG 33 1.617 -5.831 -0.255 253 HD2 ARG 33 HD2 ARG 33 -0.703 -5.315 -0.424 254 HD3 ARG 33 HD1 ARG 33 -0.836 -5.058 1.314 255 HE ARG 33 HE ARG 33 0.861 -3.161 0.797 256 HH11 ARG 33 HH11 ARG 33 -1.798 -4.153 -1.266 257 HH12 ARG 33 HH12 ARG 33 -2.052 -2.565 -1.913 258 HH21 ARG 33 HH21 ARG 33 0.518 -1.071 -0.052 259 HH22 ARG 33 HH22 ARG 33 -0.745 -0.811 -1.215 260 H VAL 34 HN VAL 34 4.363 -7.716 0.772 261 HA VAL 34 HA VAL 34 4.933 -6.516 3.404 262 HB VAL 34 HB VAL 34 6.883 -7.906 1.552 263 HG11 VAL 34 HG11 VAL 34 8.433 -7.771 3.443 264 HG12 VAL 34 HG12 VAL 34 7.224 -6.881 4.369 265 HG13 VAL 34 HG13 VAL 34 7.920 -6.170 2.914 266 HG21 VAL 34 HG21 VAL 34 5.327 -9.513 2.495 267 HG22 VAL 34 HG22 VAL 34 5.613 -8.875 4.113 268 HG23 VAL 34 HG23 VAL 34 6.912 -9.694 3.247 269 H CYS 35 HN CYS 35 5.059 -4.377 3.247 270 HA CYS 35 HA CYS 35 6.142 -3.201 0.783 271 HB2 CYS 35 HB2 CYS 35 4.715 -1.763 3.026 272 HB3 CYS 35 HB1 CYS 35 5.061 -1.153 1.413 273 H HIS 36 HN HIS 36 8.141 -2.420 0.798 274 HA HIS 36 HA HIS 36 9.269 -1.589 3.388 275 HB2 HIS 36 HB2 HIS 36 11.475 -2.280 2.662 276 HB3 HIS 36 HB1 HIS 36 10.371 -3.640 2.541 277 HD1 HIS 36 HD1 HIS 36 10.323 -4.831 0.351 278 HD2 HIS 36 HD2 HIS 36 12.106 -1.087 0.073 279 HE1 HIS 36 HE1 HIS 36 11.270 -4.701 -1.972 280 HE2 HIS 36 HE2 HIS 36 12.491 -2.501 -2.054 281 H ARG 37 HN ARG 37 10.802 0.194 3.281 282 HA ARG 37 HA ARG 37 10.310 1.915 0.944 283 HB2 ARG 37 HB2 ARG 37 10.297 2.798 3.836 284 HB3 ARG 37 HB1 ARG 37 10.080 3.841 2.439 285 HG2 ARG 37 HG2 ARG 37 8.020 2.637 1.876 286 HG3 ARG 37 HG1 ARG 37 8.231 1.630 3.309 287 HD2 ARG 37 HD2 ARG 37 7.891 4.628 3.289 288 HD3 ARG 37 HD1 ARG 37 6.647 3.454 3.705 289 HE ARG 37 HE ARG 37 8.894 3.044 5.349 290 HH11 ARG 37 HH11 ARG 37 6.288 5.317 4.837 291 HH12 ARG 37 HH12 ARG 37 6.290 5.894 6.474 292 HH21 ARG 37 HH21 ARG 37 8.904 3.796 7.516 293 HH22 ARG 37 HH22 ARG 37 7.781 5.028 7.996 294 H ARG 38 HN ARG 38 12.296 1.804 0.018 295 HA ARG 38 HA ARG 38 14.721 1.987 1.528 296 HB2 ARG 38 HB2 ARG 38 14.166 2.215 -1.432 297 HB3 ARG 38 HB1 ARG 38 15.778 2.304 -0.740 298 HG2 ARG 38 HG2 ARG 38 15.425 0.032 0.210 299 HG3 ARG 38 HG1 ARG 38 13.897 -0.042 -0.670 300 HD2 ARG 38 HD2 ARG 38 15.666 -1.162 -1.915 301 HD3 ARG 38 HD1 ARG 38 15.095 0.264 -2.780 302 HE ARG 38 HE ARG 38 17.237 1.149 -1.323 303 HH11 ARG 38 HH11 ARG 38 16.751 -1.378 -3.701 304 HH12 ARG 38 HH12 ARG 38 18.371 -1.280 -4.315 305 HH21 ARG 38 HH21 ARG 38 19.372 1.260 -2.126 306 HH22 ARG 38 HH22 ARG 38 19.857 0.208 -3.418 307 H ALA 39 HN ALA 39 15.487 3.768 2.405 308 HA ALA 39 HA ALA 39 15.387 6.267 0.913 309 HB1 ALA 39 HB1 ALA 39 14.565 7.548 2.813 310 HB2 ALA 39 HB2 ALA 39 14.400 6.070 3.759 311 HB3 ALA 39 HB3 ALA 39 13.388 6.323 2.340 312 H ASN 40 HN ASN 40 17.048 7.701 1.474 313 HA ASN 40 HA ASN 40 19.336 6.425 2.656 314 HB2 ASN 40 HB2 ASN 40 19.587 7.861 0.680 315 HB3 ASN 40 HB1 ASN 40 19.003 9.241 1.606 316 HD21 ASN 40 HD21 ASN 40 21.626 6.993 1.166 317 HD22 ASN 40 HD22 ASN 40 22.816 7.910 2.020 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 23.149 -0.534 20.992 2 H2 ARG 1 HT2 ARG 1 23.101 -1.932 21.938 3 H3 ARG 1 HT3 ARG 1 23.083 -2.054 20.253 4 HA ARG 1 HA ARG 1 25.245 -2.614 21.169 5 HB2 ARG 1 HB2 ARG 1 24.984 -1.523 18.910 6 HB3 ARG 1 HB1 ARG 1 25.325 0.019 19.678 7 HG2 ARG 1 HG2 ARG 1 27.500 -1.037 20.468 8 HG3 ARG 1 HG1 ARG 1 27.154 -2.328 19.317 9 HD2 ARG 1 HD2 ARG 1 27.491 0.605 18.697 10 HD3 ARG 1 HD1 ARG 1 28.617 -0.689 18.304 11 HE ARG 1 HE ARG 1 25.967 -0.994 17.182 12 HH11 ARG 1 HH11 ARG 1 29.208 0.234 16.710 13 HH12 ARG 1 HH12 ARG 1 29.077 0.285 14.983 14 HH21 ARG 1 HH21 ARG 1 25.779 -0.918 14.909 15 HH22 ARG 1 HH22 ARG 1 27.122 -0.378 13.952 16 H VAL 2 HN VAL 2 25.120 0.945 21.261 17 HA VAL 2 HA VAL 2 26.120 0.814 24.030 18 HB VAL 2 HB VAL 2 26.918 2.931 22.024 19 HG11 VAL 2 HG11 VAL 2 27.982 2.290 24.771 20 HG12 VAL 2 HG12 VAL 2 26.941 3.650 24.360 21 HG13 VAL 2 HG13 VAL 2 28.574 3.559 23.698 22 HG21 VAL 2 HG21 VAL 2 28.494 0.540 22.972 23 HG22 VAL 2 HG22 VAL 2 29.131 1.865 21.998 24 HG23 VAL 2 HG23 VAL 2 27.881 0.811 21.341 25 H GLN 3 HN GLN 3 24.917 3.246 21.712 26 HA GLN 3 HA GLN 3 22.975 4.070 23.766 27 HB2 GLN 3 HB2 GLN 3 24.475 5.839 21.828 28 HB3 GLN 3 HB1 GLN 3 23.177 6.385 22.881 29 HG2 GLN 3 HG2 GLN 3 24.508 5.762 24.836 30 HG3 GLN 3 HG1 GLN 3 25.812 5.239 23.775 31 HE21 GLN 3 HE21 GLN 3 25.425 7.425 21.895 32 HE22 GLN 3 HE22 GLN 3 26.035 8.846 22.672 33 H GLY 4 HN GLY 4 23.526 4.785 20.307 34 HA2 GLY 4 HA2 GLY 4 22.144 4.585 18.491 35 HA3 GLY 4 HA1 GLY 4 21.360 3.273 19.352 36 H ARG 5 HN ARG 5 21.397 6.785 18.932 37 HA ARG 5 HA ARG 5 18.881 7.047 20.332 38 HB2 ARG 5 HB2 ARG 5 19.046 9.471 19.670 39 HB3 ARG 5 HB1 ARG 5 20.339 8.871 20.686 40 HG2 ARG 5 HG2 ARG 5 21.339 10.280 19.093 41 HG3 ARG 5 HG1 ARG 5 21.728 8.640 18.595 42 HD2 ARG 5 HD2 ARG 5 21.124 9.981 16.674 43 HD3 ARG 5 HD1 ARG 5 19.916 8.727 16.941 44 HE ARG 5 HE ARG 5 18.922 10.896 18.262 45 HH11 ARG 5 HH11 ARG 5 20.010 10.315 14.980 46 HH12 ARG 5 HH12 ARG 5 18.914 11.463 14.282 47 HH21 ARG 5 HH21 ARG 5 17.467 12.402 17.334 48 HH22 ARG 5 HH22 ARG 5 17.467 12.644 15.613 49 H TRP 6 HN TRP 6 19.689 6.065 17.296 50 HA TRP 6 HA TRP 6 17.007 6.754 16.323 51 HB2 TRP 6 HB2 TRP 6 17.812 7.142 14.091 52 HB3 TRP 6 HB1 TRP 6 18.742 8.159 15.180 53 HD1 TRP 6 HD1 TRP 6 21.321 7.319 15.683 54 HE1 TRP 6 HE1 TRP 6 22.951 6.026 14.166 55 HE3 TRP 6 HE3 TRP 6 17.970 5.439 12.311 56 HZ2 TRP 6 HZ2 TRP 6 22.828 4.424 11.845 57 HZ3 TRP 6 HZ3 TRP 6 18.807 4.036 10.473 58 HH2 TRP 6 HH2 TRP 6 21.186 3.541 10.245 59 H LYS 7 HN LYS 7 16.030 5.193 15.007 60 HA LYS 7 HA LYS 7 17.258 2.526 15.232 61 HB2 LYS 7 HB2 LYS 7 14.329 3.222 14.948 62 HB3 LYS 7 HB1 LYS 7 14.996 1.616 15.200 63 HG2 LYS 7 HG2 LYS 7 15.783 2.253 17.400 64 HG3 LYS 7 HG1 LYS 7 15.207 3.901 17.152 65 HD2 LYS 7 HD2 LYS 7 13.468 1.433 17.192 66 HD3 LYS 7 HD1 LYS 7 13.673 2.557 18.537 67 HE2 LYS 7 HE2 LYS 7 12.503 3.191 15.828 68 HE3 LYS 7 HE1 LYS 7 11.615 3.033 17.341 69 HZ1 LYS 7 HZ1 LYS 7 13.647 5.108 16.719 70 HZ2 LYS 7 HZ2 LYS 7 12.859 4.936 18.204 71 HZ3 LYS 7 HZ3 LYS 7 11.976 5.342 16.823 72 H VAL 8 HN VAL 8 15.055 4.406 13.168 73 HA VAL 8 HA VAL 8 16.379 3.284 10.815 74 HB VAL 8 HB VAL 8 14.151 3.140 9.668 75 HG11 VAL 8 HG11 VAL 8 15.261 1.128 10.448 76 HG12 VAL 8 HG12 VAL 8 13.516 0.983 10.656 77 HG13 VAL 8 HG13 VAL 8 14.544 1.329 12.047 78 HG21 VAL 8 HG21 VAL 8 12.134 2.969 11.043 79 HG22 VAL 8 HG22 VAL 8 12.873 4.567 11.173 80 HG23 VAL 8 HG23 VAL 8 13.075 3.393 12.474 81 H ARG 9 HN ARG 9 15.988 4.574 8.877 82 HA ARG 9 HA ARG 9 15.846 7.410 9.556 83 HB2 ARG 9 HB2 ARG 9 16.747 6.101 6.983 84 HB3 ARG 9 HB1 ARG 9 16.864 7.811 7.364 85 HG2 ARG 9 HG2 ARG 9 18.305 7.108 9.340 86 HG3 ARG 9 HG1 ARG 9 18.384 5.526 8.566 87 HD2 ARG 9 HD2 ARG 9 19.272 8.150 7.376 88 HD3 ARG 9 HD1 ARG 9 20.320 6.869 7.972 89 HE ARG 9 HE ARG 9 18.497 6.116 5.840 90 HH11 ARG 9 HH11 ARG 9 21.728 7.123 6.744 91 HH12 ARG 9 HH12 ARG 9 22.426 6.702 5.212 92 HH21 ARG 9 HH21 ARG 9 19.418 5.549 3.829 93 HH22 ARG 9 HH22 ARG 9 21.115 5.785 3.560 94 H ALA 10 HN ALA 10 13.575 5.402 9.068 95 HA ALA 10 HA ALA 10 12.106 7.018 7.121 96 HB1 ALA 10 HB1 ALA 10 11.710 4.093 7.730 97 HB2 ALA 10 HB2 ALA 10 12.515 4.745 6.303 98 HB3 ALA 10 HB3 ALA 10 10.796 5.044 6.559 99 H SER 11 HN SER 11 12.377 7.402 10.035 100 HA SER 11 HA SER 11 9.887 6.518 11.196 101 HB2 SER 11 HB2 SER 11 12.039 8.358 12.261 102 HB3 SER 11 HB1 SER 11 10.659 7.774 13.193 103 HG SER 11 HG SER 11 11.442 5.612 12.648 104 H PHE 12 HN PHE 12 10.372 8.719 8.959 105 HA PHE 12 HA PHE 12 9.103 11.050 9.896 106 HB2 PHE 12 HB2 PHE 12 9.278 9.893 7.106 107 HB3 PHE 12 HB1 PHE 12 8.677 11.506 7.474 108 HD1 PHE 12 HD1 PHE 12 10.178 13.262 8.190 109 HD2 PHE 12 HD2 PHE 12 11.630 9.372 7.261 110 HE1 PHE 12 HE1 PHE 12 12.471 14.146 8.098 111 HE2 PHE 12 HE2 PHE 12 13.924 10.250 7.170 112 HZ PHE 12 HZ PHE 12 14.349 12.638 7.587 113 H PHE 13 HN PHE 13 7.815 8.257 8.100 114 HA PHE 13 HA PHE 13 5.229 8.704 9.362 115 HB2 PHE 13 HB2 PHE 13 4.004 8.610 7.262 116 HB3 PHE 13 HB1 PHE 13 5.149 9.942 7.211 117 HD1 PHE 13 HD1 PHE 13 4.139 6.796 5.748 118 HD2 PHE 13 HD2 PHE 13 7.201 9.749 5.841 119 HE1 PHE 13 HE1 PHE 13 5.041 5.919 3.637 120 HE2 PHE 13 HE2 PHE 13 8.108 8.875 3.730 121 HZ PHE 13 HZ PHE 13 7.030 6.960 2.625 122 H LYS 14 HN LYS 14 3.825 6.865 9.225 123 HA LYS 14 HA LYS 14 5.299 4.362 8.890 124 HB2 LYS 14 HB2 LYS 14 4.219 4.817 11.087 125 HB3 LYS 14 HB1 LYS 14 2.659 4.848 10.277 126 HG2 LYS 14 HG2 LYS 14 2.986 2.508 9.600 127 HG3 LYS 14 HG1 LYS 14 4.521 2.488 10.467 128 HD2 LYS 14 HD2 LYS 14 2.844 1.484 11.858 129 HD3 LYS 14 HD1 LYS 14 3.287 3.044 12.549 130 HE2 LYS 14 HE2 LYS 14 0.878 2.715 12.627 131 HE3 LYS 14 HE1 LYS 14 1.294 4.055 11.561 132 HZ1 LYS 14 HZ1 LYS 14 0.672 1.298 10.649 133 HZ2 LYS 14 HZ2 LYS 14 0.957 2.640 9.661 134 HZ3 LYS 14 HZ3 LYS 14 -0.420 2.589 10.637 135 H GLY 15 HN GLY 15 3.060 6.297 7.371 136 HA2 GLY 15 HA2 GLY 15 2.721 5.102 5.036 137 HA3 GLY 15 HA1 GLY 15 1.668 4.105 6.029 138 H GLY 16 HN GLY 16 1.149 6.665 7.646 139 HA2 GLY 16 HA2 GLY 16 -0.910 7.721 5.813 140 HA3 GLY 16 HA1 GLY 16 -1.088 7.620 7.558 141 H GLY 17 HN GLY 17 1.835 8.702 5.962 142 HA2 GLY 17 HA2 GLY 17 1.745 11.158 7.488 143 HA3 GLY 17 HA1 GLY 17 3.065 10.610 6.467 144 H GLY 18 HN GLY 18 0.395 10.290 4.615 145 HA2 GLY 18 HA2 GLY 18 -0.692 11.626 3.070 146 HA3 GLY 18 HA1 GLY 18 0.006 13.039 3.849 147 H SER 19 HN SER 19 1.867 10.317 2.734 148 HA SER 19 HA SER 19 3.684 11.935 1.312 149 HB2 SER 19 HB2 SER 19 3.294 8.952 1.014 150 HB3 SER 19 HB1 SER 19 4.775 9.874 0.746 151 HG SER 19 HG SER 19 4.947 10.227 2.927 152 H GLY 20 HN GLY 20 3.326 12.905 -0.564 153 HA2 GLY 20 HA2 GLY 20 1.183 12.223 -2.304 154 HA3 GLY 20 HA1 GLY 20 2.456 13.387 -2.635 155 H PHE 21 HN PHE 21 4.620 11.499 -2.308 156 HA PHE 21 HA PHE 21 4.313 10.051 -4.835 157 HB2 PHE 21 HB2 PHE 21 6.224 11.631 -4.586 158 HB3 PHE 21 HB1 PHE 21 6.833 10.642 -3.264 159 HD1 PHE 21 HD1 PHE 21 8.140 8.736 -3.684 160 HD2 PHE 21 HD2 PHE 21 6.078 10.636 -6.885 161 HE1 PHE 21 HE1 PHE 21 9.373 7.347 -5.301 162 HE2 PHE 21 HE2 PHE 21 7.307 9.251 -8.504 163 HZ PHE 21 HZ PHE 21 8.955 7.603 -7.712 164 H ALA 22 HN ALA 22 4.101 7.917 -4.852 165 HA ALA 22 HA ALA 22 4.253 6.476 -2.333 166 HB1 ALA 22 HB1 ALA 22 2.278 6.194 -3.756 167 HB2 ALA 22 HB2 ALA 22 3.130 4.669 -3.517 168 HB3 ALA 22 HB3 ALA 22 3.299 5.544 -5.038 169 H TRP 23 HN TRP 23 6.542 6.431 -2.067 170 HA TRP 23 HA TRP 23 8.063 4.960 -4.076 171 HB2 TRP 23 HB2 TRP 23 10.034 5.522 -2.678 172 HB3 TRP 23 HB1 TRP 23 9.147 6.935 -3.217 173 HD1 TRP 23 HD1 TRP 23 7.682 8.220 -1.318 174 HE1 TRP 23 HE1 TRP 23 8.058 8.421 1.223 175 HE3 TRP 23 HE3 TRP 23 10.902 4.309 -0.679 176 HZ2 TRP 23 HZ2 TRP 23 9.537 7.086 3.228 177 HZ3 TRP 23 HZ3 TRP 23 11.757 3.841 1.580 178 HH2 TRP 23 HH2 TRP 23 11.089 5.204 3.491 179 H ASN 24 HN ASN 24 6.244 4.277 -1.395 180 HA ASN 24 HA ASN 24 7.717 2.057 -0.359 181 HB2 ASN 24 HB2 ASN 24 4.856 2.961 -0.098 182 HB3 ASN 24 HB1 ASN 24 5.381 1.412 0.551 183 HD21 ASN 24 HD21 ASN 24 5.566 4.863 0.862 184 HD22 ASN 24 HD22 ASN 24 6.334 4.880 2.409 185 H VAL 25 HN VAL 25 8.099 0.247 -1.449 186 HA VAL 25 HA VAL 25 6.310 -0.481 -3.648 187 HB VAL 25 HB VAL 25 8.988 -1.699 -2.961 188 HG11 VAL 25 HG11 VAL 25 8.922 -2.520 -5.265 189 HG12 VAL 25 HG12 VAL 25 7.324 -1.802 -5.474 190 HG13 VAL 25 HG13 VAL 25 7.557 -3.120 -4.325 191 HG21 VAL 25 HG21 VAL 25 8.344 0.491 -4.937 192 HG22 VAL 25 HG22 VAL 25 9.907 -0.308 -4.764 193 HG23 VAL 25 HG23 VAL 25 9.268 0.671 -3.444 194 H CYS 26 HN CYS 26 4.667 -1.700 -3.014 195 HA CYS 26 HA CYS 26 5.057 -3.682 -0.899 196 HB2 CYS 26 HB2 CYS 26 2.492 -2.729 -2.179 197 HB3 CYS 26 HB1 CYS 26 2.628 -3.758 -0.759 198 H VAL 27 HN VAL 27 5.659 -5.606 -1.565 199 HA VAL 27 HA VAL 27 4.385 -6.717 -3.982 200 HB VAL 27 HB VAL 27 6.344 -8.209 -4.195 201 HG11 VAL 27 HG11 VAL 27 7.940 -6.526 -4.989 202 HG12 VAL 27 HG12 VAL 27 7.037 -5.275 -4.136 203 HG13 VAL 27 HG13 VAL 27 6.289 -6.144 -5.475 204 HG21 VAL 27 HG21 VAL 27 7.040 -8.247 -1.859 205 HG22 VAL 27 HG22 VAL 27 7.514 -6.551 -1.962 206 HG23 VAL 27 HG23 VAL 27 8.376 -7.766 -2.905 207 H TYR 28 HN TYR 28 3.842 -8.989 -3.885 208 HA TYR 28 HA TYR 28 3.046 -9.736 -1.188 209 HB2 TYR 28 HB2 TYR 28 2.187 -10.659 -3.915 210 HB3 TYR 28 HB1 TYR 28 1.771 -11.573 -2.467 211 HD1 TYR 28 HD1 TYR 28 1.284 -8.384 -4.246 212 HD2 TYR 28 HD2 TYR 28 0.122 -10.769 -0.925 213 HE1 TYR 28 HE1 TYR 28 -0.619 -6.892 -3.850 214 HE2 TYR 28 HE2 TYR 28 -1.786 -9.284 -0.518 215 HH TYR 28 HH TYR 28 -2.843 -6.992 -2.771 216 H ARG 29 HN ARG 29 4.449 -10.794 -0.078 217 HA ARG 29 HA ARG 29 6.092 -12.865 -1.368 218 HB2 ARG 29 HB2 ARG 29 6.501 -11.369 1.230 219 HB3 ARG 29 HB1 ARG 29 7.562 -12.630 0.615 220 HG2 ARG 29 HG2 ARG 29 8.187 -11.282 -1.255 221 HG3 ARG 29 HG1 ARG 29 6.983 -10.063 -0.839 222 HD2 ARG 29 HD2 ARG 29 9.263 -9.412 -0.177 223 HD3 ARG 29 HD1 ARG 29 8.166 -9.534 1.195 224 HE ARG 29 HE ARG 29 9.516 -11.979 0.848 225 HH11 ARG 29 HH11 ARG 29 10.105 -8.687 1.875 226 HH12 ARG 29 HH12 ARG 29 11.398 -9.117 2.948 227 HH21 ARG 29 HH21 ARG 29 11.207 -12.548 2.278 228 HH22 ARG 29 HH22 ARG 29 12.030 -11.308 3.169 229 H ASN 30 HN ASN 30 5.171 -14.783 -1.159 230 HA ASN 30 HA ASN 30 4.169 -16.625 -0.298 231 HB2 ASN 30 HB2 ASN 30 5.929 -16.110 1.561 232 HB3 ASN 30 HB1 ASN 30 4.539 -15.568 2.495 233 HD21 ASN 30 HD21 ASN 30 6.308 -17.754 3.051 234 HD22 ASN 30 HD22 ASN 30 5.341 -19.187 3.093 235 H GLY 31 HN GLY 31 2.650 -14.351 -1.011 236 HA2 GLY 31 HA2 GLY 31 0.372 -13.927 -1.068 237 HA3 GLY 31 HA1 GLY 31 0.160 -15.036 0.275 238 H VAL 32 HN VAL 32 2.553 -12.950 1.155 239 HA VAL 32 HA VAL 32 0.634 -11.268 2.617 240 HB VAL 32 HB VAL 32 3.534 -11.794 3.292 241 HG11 VAL 32 HG11 VAL 32 2.717 -9.685 4.162 242 HG12 VAL 32 HG12 VAL 32 2.936 -10.842 5.474 243 HG13 VAL 32 HG13 VAL 32 1.318 -10.495 4.867 244 HG21 VAL 32 HG21 VAL 32 2.219 -13.847 3.468 245 HG22 VAL 32 HG22 VAL 32 1.052 -13.015 4.496 246 HG23 VAL 32 HG23 VAL 32 2.704 -13.261 5.060 247 H ARG 33 HN ARG 33 0.539 -9.162 2.163 248 HA ARG 33 HA ARG 33 2.204 -8.004 0.157 249 HB2 ARG 33 HB2 ARG 33 -0.140 -7.325 0.434 250 HB3 ARG 33 HB1 ARG 33 0.223 -6.698 2.036 251 HG2 ARG 33 HG2 ARG 33 1.686 -5.019 1.078 252 HG3 ARG 33 HG1 ARG 33 1.407 -5.673 -0.535 253 HD2 ARG 33 HD2 ARG 33 0.050 -3.689 -0.156 254 HD3 ARG 33 HD1 ARG 33 -0.965 -5.115 -0.354 255 HE ARG 33 HE ARG 33 -0.721 -4.964 2.319 256 HH11 ARG 33 HH11 ARG 33 -1.533 -2.546 -0.074 257 HH12 ARG 33 HH12 ARG 33 -2.583 -1.660 0.984 258 HH21 ARG 33 HH21 ARG 33 -2.113 -3.799 3.722 259 HH22 ARG 33 HH22 ARG 33 -2.911 -2.373 3.145 260 H VAL 34 HN VAL 34 4.280 -7.702 0.628 261 HA VAL 34 HA VAL 34 4.988 -6.463 3.201 262 HB VAL 34 HB VAL 34 6.740 -7.964 1.243 263 HG11 VAL 34 HG11 VAL 34 7.403 -6.838 3.961 264 HG12 VAL 34 HG12 VAL 34 7.986 -6.227 2.414 265 HG13 VAL 34 HG13 VAL 34 8.469 -7.831 2.969 266 HG21 VAL 34 HG21 VAL 34 6.854 -9.670 3.022 267 HG22 VAL 34 HG22 VAL 34 5.220 -9.457 2.393 268 HG23 VAL 34 HG23 VAL 34 5.665 -8.755 3.949 269 H CYS 35 HN CYS 35 5.085 -4.325 3.020 270 HA CYS 35 HA CYS 35 5.980 -3.090 0.545 271 HB2 CYS 35 HB2 CYS 35 5.118 -1.756 3.117 272 HB3 CYS 35 HB1 CYS 35 5.333 -0.988 1.549 273 H HIS 36 HN HIS 36 8.122 -3.204 0.296 274 HA HIS 36 HA HIS 36 9.810 -2.712 2.608 275 HB2 HIS 36 HB2 HIS 36 11.716 -3.156 1.037 276 HB3 HIS 36 HB1 HIS 36 10.635 -4.511 1.311 277 HD1 HIS 36 HD1 HIS 36 9.559 -5.552 -0.708 278 HD2 HIS 36 HD2 HIS 36 11.493 -1.980 -1.586 279 HE1 HIS 36 HE1 HIS 36 9.586 -5.396 -3.218 280 HE2 HIS 36 HE2 HIS 36 10.922 -3.321 -3.721 281 H ARG 37 HN ARG 37 10.071 -0.750 3.157 282 HA ARG 37 HA ARG 37 10.278 1.344 1.150 283 HB2 ARG 37 HB2 ARG 37 10.078 2.848 3.192 284 HB3 ARG 37 HB1 ARG 37 8.677 1.875 2.778 285 HG2 ARG 37 HG2 ARG 37 9.206 0.289 4.525 286 HG3 ARG 37 HG1 ARG 37 10.660 1.209 4.938 287 HD2 ARG 37 HD2 ARG 37 8.837 1.722 6.477 288 HD3 ARG 37 HD1 ARG 37 9.260 3.139 5.516 289 HE ARG 37 HE ARG 37 7.273 2.213 4.061 290 HH11 ARG 37 HH11 ARG 37 7.492 2.497 7.547 291 HH12 ARG 37 HH12 ARG 37 5.778 2.589 7.768 292 HH21 ARG 37 HH21 ARG 37 5.022 2.363 4.352 293 HH22 ARG 37 HH22 ARG 37 4.369 2.531 5.955 294 H ARG 38 HN ARG 38 12.255 1.570 0.428 295 HA ARG 38 HA ARG 38 14.566 0.879 1.977 296 HB2 ARG 38 HB2 ARG 38 14.299 0.581 -0.528 297 HB3 ARG 38 HB1 ARG 38 14.484 2.320 -0.679 298 HG2 ARG 38 HG2 ARG 38 16.560 0.587 0.628 299 HG3 ARG 38 HG1 ARG 38 16.535 0.903 -1.105 300 HD2 ARG 38 HD2 ARG 38 16.700 3.306 -0.664 301 HD3 ARG 38 HD1 ARG 38 16.725 2.985 1.068 302 HE ARG 38 HE ARG 38 18.787 1.504 -0.014 303 HH11 ARG 38 HH11 ARG 38 17.925 4.896 0.179 304 HH12 ARG 38 HH12 ARG 38 19.574 5.437 0.176 305 HH21 ARG 38 HH21 ARG 38 20.940 2.220 -0.013 306 HH22 ARG 38 HH22 ARG 38 21.284 3.921 0.062 307 H ALA 39 HN ALA 39 15.294 2.166 3.524 308 HA ALA 39 HA ALA 39 15.497 5.038 2.954 309 HB1 ALA 39 HB1 ALA 39 14.879 5.563 5.257 310 HB2 ALA 39 HB2 ALA 39 14.607 3.850 5.577 311 HB3 ALA 39 HB3 ALA 39 13.581 4.706 4.426 312 H ASN 40 HN ASN 40 17.171 2.337 3.444 313 HA ASN 40 HA ASN 40 19.530 3.707 4.337 314 HB2 ASN 40 HB2 ASN 40 18.391 3.190 6.494 315 HB3 ASN 40 HB1 ASN 40 18.449 1.480 6.078 316 HD21 ASN 40 HD21 ASN 40 20.283 4.262 7.023 317 HD22 ASN 40 HD22 ASN 40 21.731 3.422 7.448 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 -9.051 41.232 -7.064 2 H2 ARG 1 HT2 ARG 1 -8.505 39.784 -7.746 3 H3 ARG 1 HT3 ARG 1 -10.149 39.989 -7.402 4 HA ARG 1 HA ARG 1 -10.336 41.711 -9.041 5 HB2 ARG 1 HB2 ARG 1 -8.025 42.558 -8.836 6 HB3 ARG 1 HB1 ARG 1 -7.425 41.096 -9.605 7 HG2 ARG 1 HG2 ARG 1 -8.598 41.672 -11.657 8 HG3 ARG 1 HG1 ARG 1 -9.245 43.124 -10.889 9 HD2 ARG 1 HD2 ARG 1 -7.310 43.641 -12.295 10 HD3 ARG 1 HD1 ARG 1 -6.988 43.994 -10.600 11 HE ARG 1 HE ARG 1 -6.051 41.449 -10.968 12 HH11 ARG 1 HH11 ARG 1 -5.440 44.527 -12.517 13 HH12 ARG 1 HH12 ARG 1 -3.784 44.157 -12.874 14 HH21 ARG 1 HH21 ARG 1 -3.878 40.960 -11.443 15 HH22 ARG 1 HH22 ARG 1 -2.899 42.132 -12.272 16 H VAL 2 HN VAL 2 -11.767 40.010 -9.557 17 HA VAL 2 HA VAL 2 -10.817 37.767 -11.090 18 HB VAL 2 HB VAL 2 -12.686 37.354 -9.648 19 HG11 VAL 2 HG11 VAL 2 -13.615 39.589 -9.487 20 HG12 VAL 2 HG12 VAL 2 -14.869 38.436 -9.944 21 HG13 VAL 2 HG13 VAL 2 -14.165 39.502 -11.159 22 HG21 VAL 2 HG21 VAL 2 -13.562 37.364 -12.529 23 HG22 VAL 2 HG22 VAL 2 -14.344 36.459 -11.233 24 HG23 VAL 2 HG23 VAL 2 -12.686 36.080 -11.695 25 H GLN 3 HN GLN 3 -9.988 38.311 -12.999 26 HA GLN 3 HA GLN 3 -11.669 39.924 -14.790 27 HB2 GLN 3 HB2 GLN 3 -9.486 40.472 -15.976 28 HB3 GLN 3 HB1 GLN 3 -9.746 41.221 -14.408 29 HG2 GLN 3 HG2 GLN 3 -8.322 39.455 -13.395 30 HG3 GLN 3 HG1 GLN 3 -7.978 38.864 -15.022 31 HE21 GLN 3 HE21 GLN 3 -5.786 39.294 -14.828 32 HE22 GLN 3 HE22 GLN 3 -5.155 40.905 -14.857 33 H GLY 4 HN GLY 4 -12.717 37.906 -15.255 34 HA2 GLY 4 HA2 GLY 4 -11.917 36.831 -17.706 35 HA3 GLY 4 HA1 GLY 4 -11.443 35.706 -16.440 36 H ARG 5 HN ARG 5 -13.139 34.711 -18.168 37 HA ARG 5 HA ARG 5 -15.876 35.195 -17.571 38 HB2 ARG 5 HB2 ARG 5 -16.294 33.121 -18.897 39 HB3 ARG 5 HB1 ARG 5 -15.335 34.327 -19.735 40 HG2 ARG 5 HG2 ARG 5 -14.289 32.331 -20.263 41 HG3 ARG 5 HG1 ARG 5 -13.301 32.965 -18.952 42 HD2 ARG 5 HD2 ARG 5 -14.517 31.509 -17.372 43 HD3 ARG 5 HD1 ARG 5 -15.434 30.844 -18.726 44 HE ARG 5 HE ARG 5 -12.686 30.574 -19.252 45 HH11 ARG 5 HH11 ARG 5 -15.152 29.279 -17.137 46 HH12 ARG 5 HH12 ARG 5 -14.365 27.743 -16.948 47 HH21 ARG 5 HH21 ARG 5 -11.636 28.566 -18.991 48 HH22 ARG 5 HH22 ARG 5 -12.361 27.337 -18.000 49 H TRP 6 HN TRP 6 -13.468 33.513 -15.927 50 HA TRP 6 HA TRP 6 -15.457 31.897 -14.498 51 HB2 TRP 6 HB2 TRP 6 -13.461 30.549 -13.727 52 HB3 TRP 6 HB1 TRP 6 -13.845 30.432 -15.436 53 HD1 TRP 6 HD1 TRP 6 -12.131 31.603 -17.160 54 HE1 TRP 6 HE1 TRP 6 -9.649 32.228 -16.927 55 HE3 TRP 6 HE3 TRP 6 -11.710 31.369 -12.071 56 HZ2 TRP 6 HZ2 TRP 6 -7.757 32.569 -14.861 57 HZ3 TRP 6 HZ3 TRP 6 -9.527 31.858 -11.047 58 HH2 TRP 6 HH2 TRP 6 -7.594 32.444 -12.414 59 H LYS 7 HN LYS 7 -15.887 32.354 -12.478 60 HA LYS 7 HA LYS 7 -14.074 34.166 -11.029 61 HB2 LYS 7 HB2 LYS 7 -16.048 34.774 -9.659 62 HB3 LYS 7 HB1 LYS 7 -16.252 35.161 -11.361 63 HG2 LYS 7 HG2 LYS 7 -17.552 33.056 -11.617 64 HG3 LYS 7 HG1 LYS 7 -17.454 32.843 -9.869 65 HD2 LYS 7 HD2 LYS 7 -18.646 34.908 -9.505 66 HD3 LYS 7 HD1 LYS 7 -18.634 35.260 -11.234 67 HE2 LYS 7 HE2 LYS 7 -20.019 32.930 -9.911 68 HE3 LYS 7 HE1 LYS 7 -20.800 34.390 -10.513 69 HZ1 LYS 7 HZ1 LYS 7 -19.311 32.425 -12.167 70 HZ2 LYS 7 HZ2 LYS 7 -20.053 33.826 -12.742 71 HZ3 LYS 7 HZ3 LYS 7 -20.992 32.579 -12.091 72 H VAL 8 HN VAL 8 -15.096 31.010 -11.205 73 HA VAL 8 HA VAL 8 -15.530 30.208 -8.597 74 HB VAL 8 HB VAL 8 -14.737 27.940 -9.358 75 HG11 VAL 8 HG11 VAL 8 -17.065 28.582 -9.524 76 HG12 VAL 8 HG12 VAL 8 -16.604 27.631 -10.936 77 HG13 VAL 8 HG13 VAL 8 -16.759 29.382 -11.063 78 HG21 VAL 8 HG21 VAL 8 -13.084 28.667 -10.998 79 HG22 VAL 8 HG22 VAL 8 -14.362 29.372 -11.987 80 HG23 VAL 8 HG23 VAL 8 -14.297 27.626 -11.744 81 H ARG 9 HN ARG 9 -14.327 30.127 -6.890 82 HA ARG 9 HA ARG 9 -11.543 30.743 -6.923 83 HB2 ARG 9 HB2 ARG 9 -13.241 29.648 -4.674 84 HB3 ARG 9 HB1 ARG 9 -11.624 30.311 -4.497 85 HG2 ARG 9 HG2 ARG 9 -14.060 31.834 -5.406 86 HG3 ARG 9 HG1 ARG 9 -13.348 31.890 -3.796 87 HD2 ARG 9 HD2 ARG 9 -12.464 33.781 -4.779 88 HD3 ARG 9 HD1 ARG 9 -11.192 32.595 -5.062 89 HE ARG 9 HE ARG 9 -13.020 32.672 -7.237 90 HH11 ARG 9 HH11 ARG 9 -10.352 34.418 -5.792 91 HH12 ARG 9 HH12 ARG 9 -9.864 35.165 -7.278 92 HH21 ARG 9 HH21 ARG 9 -12.385 33.661 -9.197 93 HH22 ARG 9 HH22 ARG 9 -11.017 34.729 -9.220 94 H ALA 10 HN ALA 10 -13.336 27.871 -7.265 95 HA ALA 10 HA ALA 10 -11.445 25.999 -6.309 96 HB1 ALA 10 HB1 ALA 10 -13.792 25.425 -6.667 97 HB2 ALA 10 HB2 ALA 10 -12.722 24.343 -7.558 98 HB3 ALA 10 HB3 ALA 10 -13.578 25.632 -8.405 99 H SER 11 HN SER 11 -11.349 28.068 -8.938 100 HA SER 11 HA SER 11 -9.878 26.434 -10.762 101 HB2 SER 11 HB2 SER 11 -11.127 28.512 -11.416 102 HB3 SER 11 HB1 SER 11 -9.908 29.459 -10.569 103 HG SER 11 HG SER 11 -9.839 28.567 -13.053 104 H PHE 12 HN PHE 12 -9.178 28.130 -7.887 105 HA PHE 12 HA PHE 12 -6.286 28.010 -8.335 106 HB2 PHE 12 HB2 PHE 12 -7.842 29.216 -6.033 107 HB3 PHE 12 HB1 PHE 12 -6.108 29.356 -6.297 108 HD1 PHE 12 HD1 PHE 12 -5.221 30.883 -7.922 109 HD2 PHE 12 HD2 PHE 12 -9.423 30.433 -7.429 110 HE1 PHE 12 HE1 PHE 12 -5.594 32.931 -9.233 111 HE2 PHE 12 HE2 PHE 12 -9.800 32.477 -8.739 112 HZ PHE 12 HZ PHE 12 -7.884 33.729 -9.645 113 H PHE 13 HN PHE 13 -8.261 25.759 -7.787 114 HA PHE 13 HA PHE 13 -6.784 24.561 -5.551 115 HB2 PHE 13 HB2 PHE 13 -9.001 25.293 -4.747 116 HB3 PHE 13 HB1 PHE 13 -9.768 24.348 -6.015 117 HD1 PHE 13 HD1 PHE 13 -7.498 23.996 -3.087 118 HD2 PHE 13 HD2 PHE 13 -10.411 22.171 -5.593 119 HE1 PHE 13 HE1 PHE 13 -7.572 22.056 -1.580 120 HE2 PHE 13 HE2 PHE 13 -10.488 20.224 -4.094 121 HZ PHE 13 HZ PHE 13 -9.069 20.164 -2.082 122 H LYS 14 HN LYS 14 -5.639 22.997 -6.476 123 HA LYS 14 HA LYS 14 -6.968 21.267 -8.453 124 HB2 LYS 14 HB2 LYS 14 -4.698 20.586 -9.151 125 HB3 LYS 14 HB1 LYS 14 -4.954 22.315 -9.329 126 HG2 LYS 14 HG2 LYS 14 -3.704 22.738 -7.293 127 HG3 LYS 14 HG1 LYS 14 -3.496 21.004 -7.044 128 HD2 LYS 14 HD2 LYS 14 -1.482 21.942 -8.005 129 HD3 LYS 14 HD1 LYS 14 -2.260 20.872 -9.171 130 HE2 LYS 14 HE2 LYS 14 -3.228 22.807 -10.307 131 HE3 LYS 14 HE1 LYS 14 -2.466 23.882 -9.136 132 HZ1 LYS 14 HZ1 LYS 14 -1.193 23.766 -11.175 133 HZ2 LYS 14 HZ2 LYS 14 -1.045 22.087 -11.027 134 HZ3 LYS 14 HZ3 LYS 14 -0.303 23.105 -9.898 135 H GLY 15 HN GLY 15 -6.558 21.414 -5.308 136 HA2 GLY 15 HA2 GLY 15 -7.138 19.554 -3.913 137 HA3 GLY 15 HA1 GLY 15 -6.298 18.496 -5.040 138 H GLY 16 HN GLY 16 -4.536 17.671 -4.149 139 HA2 GLY 16 HA2 GLY 16 -3.107 19.195 -2.109 140 HA3 GLY 16 HA1 GLY 16 -2.856 17.503 -2.512 141 H GLY 17 HN GLY 17 -2.640 17.900 -5.339 142 HA2 GLY 17 HA2 GLY 17 -1.004 19.656 -6.460 143 HA3 GLY 17 HA1 GLY 17 0.127 18.827 -5.399 144 H GLY 18 HN GLY 18 -1.185 16.257 -5.651 145 HA2 GLY 18 HA2 GLY 18 -1.760 14.774 -7.532 146 HA3 GLY 18 HA1 GLY 18 -0.559 15.645 -8.473 147 H SER 19 HN SER 19 -0.445 14.329 -5.179 148 HA SER 19 HA SER 19 2.103 13.077 -5.858 149 HB2 SER 19 HB2 SER 19 0.756 13.389 -3.164 150 HB3 SER 19 HB1 SER 19 2.411 12.849 -3.449 151 HG SER 19 HG SER 19 1.974 15.183 -2.913 152 H GLY 20 HN GLY 20 1.891 11.123 -6.728 153 HA2 GLY 20 HA2 GLY 20 0.515 9.085 -5.145 154 HA3 GLY 20 HA1 GLY 20 0.011 9.282 -6.820 155 H PHE 21 HN PHE 21 3.300 9.807 -5.845 156 HA PHE 21 HA PHE 21 4.250 7.959 -7.793 157 HB2 PHE 21 HB2 PHE 21 5.749 9.405 -5.597 158 HB3 PHE 21 HB1 PHE 21 6.488 8.560 -6.952 159 HD1 PHE 21 HD1 PHE 21 5.963 9.398 -9.299 160 HD2 PHE 21 HD2 PHE 21 5.142 11.645 -5.780 161 HE1 PHE 21 HE1 PHE 21 5.878 11.458 -10.638 162 HE2 PHE 21 HE2 PHE 21 5.047 13.710 -7.116 163 HZ PHE 21 HZ PHE 21 5.417 13.619 -9.546 164 H ALA 22 HN ALA 22 5.563 6.102 -7.414 165 HA ALA 22 HA ALA 22 4.539 4.546 -5.181 166 HB1 ALA 22 HB1 ALA 22 6.167 3.677 -7.566 167 HB2 ALA 22 HB2 ALA 22 4.410 3.605 -7.432 168 HB3 ALA 22 HB3 ALA 22 5.416 2.614 -6.375 169 H TRP 23 HN TRP 23 5.875 5.852 -3.674 170 HA TRP 23 HA TRP 23 8.719 5.415 -3.638 171 HB2 TRP 23 HB2 TRP 23 6.914 6.380 -1.409 172 HB3 TRP 23 HB1 TRP 23 8.665 6.531 -1.473 173 HD1 TRP 23 HD1 TRP 23 5.491 8.178 -2.642 174 HE1 TRP 23 HE1 TRP 23 6.057 10.380 -3.846 175 HE3 TRP 23 HE3 TRP 23 10.553 7.614 -2.997 176 HZ2 TRP 23 HZ2 TRP 23 8.350 11.697 -4.821 177 HZ3 TRP 23 HZ3 TRP 23 11.863 9.393 -4.084 178 HH2 TRP 23 HH2 TRP 23 10.782 11.392 -4.976 179 H ASN 24 HN ASN 24 5.905 3.847 -2.485 180 HA ASN 24 HA ASN 24 7.486 1.948 -0.881 181 HB2 ASN 24 HB2 ASN 24 4.506 2.511 -0.900 182 HB3 ASN 24 HB1 ASN 24 5.286 1.267 0.073 183 HD21 ASN 24 HD21 ASN 24 4.780 4.677 -0.361 184 HD22 ASN 24 HD22 ASN 24 5.380 5.162 1.189 185 H VAL 25 HN VAL 25 8.153 0.400 -2.285 186 HA VAL 25 HA VAL 25 6.299 -0.628 -4.274 187 HB VAL 25 HB VAL 25 9.115 -1.546 -3.645 188 HG11 VAL 25 HG11 VAL 25 7.727 -3.222 -4.796 189 HG12 VAL 25 HG12 VAL 25 9.035 -2.629 -5.819 190 HG13 VAL 25 HG13 VAL 25 7.387 -2.051 -6.069 191 HG21 VAL 25 HG21 VAL 25 9.791 -0.245 -5.599 192 HG22 VAL 25 HG22 VAL 25 9.067 0.791 -4.371 193 HG23 VAL 25 HG23 VAL 25 8.137 0.331 -5.796 194 H CYS 26 HN CYS 26 4.742 -1.788 -3.342 195 HA CYS 26 HA CYS 26 5.454 -3.704 -1.242 196 HB2 CYS 26 HB2 CYS 26 3.508 -1.842 -1.200 197 HB3 CYS 26 HB1 CYS 26 2.622 -3.178 -1.925 198 H VAL 27 HN VAL 27 5.271 -5.818 -1.553 199 HA VAL 27 HA VAL 27 3.914 -6.804 -3.960 200 HB VAL 27 HB VAL 27 5.826 -8.427 -4.292 201 HG11 VAL 27 HG11 VAL 27 6.373 -5.494 -4.721 202 HG12 VAL 27 HG12 VAL 27 5.480 -6.568 -5.800 203 HG13 VAL 27 HG13 VAL 27 7.205 -6.818 -5.536 204 HG21 VAL 27 HG21 VAL 27 8.027 -7.750 -3.435 205 HG22 VAL 27 HG22 VAL 27 6.911 -8.162 -2.134 206 HG23 VAL 27 HG23 VAL 27 7.259 -6.471 -2.496 207 H TYR 28 HN TYR 28 3.156 -8.920 -3.825 208 HA TYR 28 HA TYR 28 2.715 -9.855 -1.133 209 HB2 TYR 28 HB2 TYR 28 1.711 -10.695 -3.832 210 HB3 TYR 28 HB1 TYR 28 1.491 -11.747 -2.437 211 HD1 TYR 28 HD1 TYR 28 0.099 -11.014 -0.538 212 HD2 TYR 28 HD2 TYR 28 0.409 -8.689 -4.087 213 HE1 TYR 28 HE1 TYR 28 -1.900 -9.756 0.118 214 HE2 TYR 28 HE2 TYR 28 -1.587 -7.422 -3.438 215 HH TYR 28 HH TYR 28 -2.945 -7.622 -0.298 216 H ARG 29 HN ARG 29 4.429 -10.742 -0.214 217 HA ARG 29 HA ARG 29 5.915 -12.824 -1.657 218 HB2 ARG 29 HB2 ARG 29 6.507 -11.386 0.938 219 HB3 ARG 29 HB1 ARG 29 7.498 -12.671 0.272 220 HG2 ARG 29 HG2 ARG 29 7.959 -11.298 -1.698 221 HG3 ARG 29 HG1 ARG 29 6.969 -10.005 -1.018 222 HD2 ARG 29 HD2 ARG 29 9.358 -9.619 -0.628 223 HD3 ARG 29 HD1 ARG 29 8.474 -9.821 0.881 224 HE ARG 29 HE ARG 29 9.452 -12.321 0.161 225 HH11 ARG 29 HH11 ARG 29 10.757 -9.193 1.060 226 HH12 ARG 29 HH12 ARG 29 12.196 -9.862 1.759 227 HH21 ARG 29 HH21 ARG 29 11.345 -13.190 1.099 228 HH22 ARG 29 HH22 ARG 29 12.520 -12.123 1.801 229 H ASN 30 HN ASN 30 4.956 -14.742 -1.466 230 HA ASN 30 HA ASN 30 3.982 -16.600 -0.607 231 HB2 ASN 30 HB2 ASN 30 5.262 -15.621 1.955 232 HB3 ASN 30 HB1 ASN 30 4.545 -17.213 1.744 233 HD21 ASN 30 HD21 ASN 30 7.272 -16.525 2.417 234 HD22 ASN 30 HD22 ASN 30 8.265 -17.216 1.183 235 H GLY 31 HN GLY 31 2.386 -14.262 -0.792 236 HA2 GLY 31 HA2 GLY 31 0.104 -14.000 -0.346 237 HA3 GLY 31 HA1 GLY 31 0.275 -15.045 1.054 238 H VAL 32 HN VAL 32 2.751 -13.045 1.469 239 HA VAL 32 HA VAL 32 1.167 -11.260 3.172 240 HB VAL 32 HB VAL 32 4.151 -11.744 3.201 241 HG11 VAL 32 HG11 VAL 32 3.531 -9.577 4.113 242 HG12 VAL 32 HG12 VAL 32 4.076 -10.656 5.396 243 HG13 VAL 32 HG13 VAL 32 2.355 -10.346 5.178 244 HG21 VAL 32 HG21 VAL 32 2.004 -12.883 4.986 245 HG22 VAL 32 HG22 VAL 32 3.742 -13.091 5.204 246 HG23 VAL 32 HG23 VAL 32 2.943 -13.773 3.788 247 H ARG 33 HN ARG 33 0.792 -9.266 2.479 248 HA ARG 33 HA ARG 33 2.143 -8.129 0.235 249 HB2 ARG 33 HB2 ARG 33 -0.237 -7.643 0.846 250 HB3 ARG 33 HB1 ARG 33 0.347 -6.750 2.244 251 HG2 ARG 33 HG2 ARG 33 1.541 -5.218 0.731 252 HG3 ARG 33 HG1 ARG 33 0.866 -6.087 -0.646 253 HD2 ARG 33 HD2 ARG 33 -0.416 -4.070 -0.167 254 HD3 ARG 33 HD1 ARG 33 -1.389 -5.519 0.089 255 HE ARG 33 HE ARG 33 -0.202 -4.777 2.526 256 HH11 ARG 33 HH11 ARG 33 -2.607 -3.577 0.276 257 HH12 ARG 33 HH12 ARG 33 -3.565 -2.820 1.507 258 HH21 ARG 33 HH21 ARG 33 -1.458 -3.778 4.147 259 HH22 ARG 33 HH22 ARG 33 -2.918 -2.946 3.712 260 H VAL 34 HN VAL 34 4.253 -7.750 0.519 261 HA VAL 34 HA VAL 34 5.164 -6.490 3.008 262 HB VAL 34 HB VAL 34 6.748 -7.877 0.837 263 HG11 VAL 34 HG11 VAL 34 7.638 -6.734 3.481 264 HG12 VAL 34 HG12 VAL 34 8.079 -6.147 1.878 265 HG13 VAL 34 HG13 VAL 34 8.631 -7.731 2.420 266 HG21 VAL 34 HG21 VAL 34 5.393 -9.430 2.129 267 HG22 VAL 34 HG22 VAL 34 6.029 -8.762 3.631 268 HG23 VAL 34 HG23 VAL 34 7.100 -9.625 2.529 269 H CYS 35 HN CYS 35 5.250 -4.359 2.918 270 HA CYS 35 HA CYS 35 5.809 -2.997 0.413 271 HB2 CYS 35 HB2 CYS 35 5.088 -1.944 3.151 272 HB3 CYS 35 HB1 CYS 35 5.383 -0.926 1.748 273 H HIS 36 HN HIS 36 7.762 -2.313 -0.156 274 HA HIS 36 HA HIS 36 9.977 -2.764 1.613 275 HB2 HIS 36 HB2 HIS 36 9.675 -1.984 -1.245 276 HB3 HIS 36 HB1 HIS 36 11.191 -1.593 -0.440 277 HD1 HIS 36 HD1 HIS 36 9.532 -4.273 -2.215 278 HD2 HIS 36 HD2 HIS 36 12.455 -3.993 0.730 279 HE1 HIS 36 HE1 HIS 36 10.690 -6.504 -2.195 280 HE2 HIS 36 HE2 HIS 36 12.463 -6.311 -0.418 281 H ARG 37 HN ARG 37 10.686 -1.417 3.033 282 HA ARG 37 HA ARG 37 10.489 1.475 2.538 283 HB2 ARG 37 HB2 ARG 37 10.601 -0.046 5.152 284 HB3 ARG 37 HB1 ARG 37 10.753 1.700 5.030 285 HG2 ARG 37 HG2 ARG 37 8.355 0.062 4.240 286 HG3 ARG 37 HG1 ARG 37 8.507 1.083 5.673 287 HD2 ARG 37 HD2 ARG 37 8.482 1.958 2.791 288 HD3 ARG 37 HD1 ARG 37 7.267 2.292 4.023 289 HE ARG 37 HE ARG 37 9.551 3.366 5.048 290 HH11 ARG 37 HH11 ARG 37 7.740 3.793 2.085 291 HH12 ARG 37 HH12 ARG 37 8.343 5.401 1.805 292 HH21 ARG 37 HH21 ARG 37 10.316 5.492 4.694 293 HH22 ARG 37 HH22 ARG 37 9.793 6.369 3.288 294 H ARG 38 HN ARG 38 12.366 2.202 1.817 295 HA ARG 38 HA ARG 38 14.815 0.808 2.155 296 HB2 ARG 38 HB2 ARG 38 14.338 2.235 0.199 297 HB3 ARG 38 HB1 ARG 38 14.339 3.652 1.240 298 HG2 ARG 38 HG2 ARG 38 16.694 3.177 1.814 299 HG3 ARG 38 HG1 ARG 38 16.671 1.845 0.659 300 HD2 ARG 38 HD2 ARG 38 16.158 4.743 0.016 301 HD3 ARG 38 HD1 ARG 38 17.655 3.872 -0.299 302 HE ARG 38 HE ARG 38 15.581 2.472 -1.535 303 HH11 ARG 38 HH11 ARG 38 17.233 5.542 -1.789 304 HH12 ARG 38 HH12 ARG 38 16.914 5.722 -3.486 305 HH21 ARG 38 HH21 ARG 38 15.162 2.700 -3.778 306 HH22 ARG 38 HH22 ARG 38 15.737 4.105 -4.618 307 H ALA 39 HN ALA 39 15.900 0.707 4.002 308 HA ALA 39 HA ALA 39 15.627 2.756 6.026 309 HB1 ALA 39 HB1 ALA 39 17.323 0.261 6.006 310 HB2 ALA 39 HB2 ALA 39 15.694 0.395 6.669 311 HB3 ALA 39 HB3 ALA 39 17.021 1.299 7.398 312 H ASN 40 HN ASN 40 16.547 4.312 4.357 313 HA ASN 40 HA ASN 40 19.420 4.587 4.825 314 HB2 ASN 40 HB2 ASN 40 19.133 3.481 2.610 315 HB3 ASN 40 HB1 ASN 40 18.172 4.856 2.080 316 HD21 ASN 40 HD21 ASN 40 21.343 3.730 2.925 317 HD22 ASN 40 HD22 ASN 40 22.216 5.061 2.250 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 11.221 15.088 16.892 2 H2 ARG 1 HT2 ARG 1 11.765 16.221 15.766 3 H3 ARG 1 HT3 ARG 1 12.822 15.040 16.350 4 HA ARG 1 HA ARG 1 11.519 13.311 15.326 5 HB2 ARG 1 HB2 ARG 1 9.701 13.860 13.809 6 HB3 ARG 1 HB1 ARG 1 9.352 14.469 15.420 7 HG2 ARG 1 HG2 ARG 1 10.016 16.713 14.711 8 HG3 ARG 1 HG1 ARG 1 10.355 16.097 13.092 9 HD2 ARG 1 HD2 ARG 1 8.003 15.382 12.907 10 HD3 ARG 1 HD1 ARG 1 7.687 16.082 14.493 11 HE ARG 1 HE ARG 1 8.820 18.007 12.735 12 HH11 ARG 1 HH11 ARG 1 5.839 16.329 13.479 13 HH12 ARG 1 HH12 ARG 1 4.825 17.580 12.835 14 HH21 ARG 1 HH21 ARG 1 7.482 19.649 11.875 15 HH22 ARG 1 HH22 ARG 1 5.758 19.466 11.922 16 H VAL 2 HN VAL 2 12.900 16.322 14.341 17 HA VAL 2 HA VAL 2 13.420 15.503 11.635 18 HB VAL 2 HB VAL 2 14.673 17.777 13.186 19 HG11 VAL 2 HG11 VAL 2 15.936 17.174 11.202 20 HG12 VAL 2 HG12 VAL 2 15.119 18.719 10.961 21 HG13 VAL 2 HG13 VAL 2 14.471 17.254 10.222 22 HG21 VAL 2 HG21 VAL 2 12.244 17.988 13.140 23 HG22 VAL 2 HG22 VAL 2 12.249 17.780 11.389 24 HG23 VAL 2 HG23 VAL 2 13.000 19.203 12.109 25 H GLN 3 HN GLN 3 14.884 14.035 11.128 26 HA GLN 3 HA GLN 3 16.951 13.342 13.057 27 HB2 GLN 3 HB2 GLN 3 16.204 12.027 10.435 28 HB3 GLN 3 HB1 GLN 3 17.323 11.381 11.629 29 HG2 GLN 3 HG2 GLN 3 15.487 11.253 13.255 30 HG3 GLN 3 HG1 GLN 3 14.376 11.852 12.027 31 HE21 GLN 3 HE21 GLN 3 15.748 10.303 9.909 32 HE22 GLN 3 HE22 GLN 3 15.225 8.671 10.136 33 H GLY 4 HN GLY 4 18.596 14.761 12.951 34 HA2 GLY 4 HA2 GLY 4 20.680 15.389 12.031 35 HA3 GLY 4 HA1 GLY 4 20.098 14.890 10.446 36 H ARG 5 HN ARG 5 18.669 17.077 12.845 37 HA ARG 5 HA ARG 5 17.722 18.869 10.884 38 HB2 ARG 5 HB2 ARG 5 16.829 20.134 12.619 39 HB3 ARG 5 HB1 ARG 5 16.910 18.527 13.318 40 HG2 ARG 5 HG2 ARG 5 18.988 20.659 13.772 41 HG3 ARG 5 HG1 ARG 5 17.612 20.378 14.835 42 HD2 ARG 5 HD2 ARG 5 18.393 18.133 15.301 43 HD3 ARG 5 HD1 ARG 5 19.723 18.333 14.161 44 HE ARG 5 HE ARG 5 19.731 20.332 16.205 45 HH11 ARG 5 HH11 ARG 5 20.634 17.030 15.496 46 HH12 ARG 5 HH12 ARG 5 21.912 16.994 16.668 47 HH21 ARG 5 HH21 ARG 5 21.420 20.285 17.758 48 HH22 ARG 5 HH22 ARG 5 22.357 18.836 17.952 49 H TRP 6 HN TRP 6 20.763 18.552 12.362 50 HA TRP 6 HA TRP 6 21.582 21.271 11.653 51 HB2 TRP 6 HB2 TRP 6 22.206 20.732 13.865 52 HB3 TRP 6 HB1 TRP 6 22.700 19.108 13.425 53 HD1 TRP 6 HD1 TRP 6 25.146 18.769 12.506 54 HE1 TRP 6 HE1 TRP 6 27.247 20.265 12.555 55 HE3 TRP 6 HE3 TRP 6 22.945 23.222 13.716 56 HZ2 TRP 6 HZ2 TRP 6 27.878 22.968 13.042 57 HZ3 TRP 6 HZ3 TRP 6 24.371 25.214 13.955 58 HH2 TRP 6 HH2 TRP 6 26.786 25.089 13.625 59 H LYS 7 HN LYS 7 21.508 18.195 10.344 60 HA LYS 7 HA LYS 7 24.175 18.332 9.167 61 HB2 LYS 7 HB2 LYS 7 22.121 16.122 9.198 62 HB3 LYS 7 HB1 LYS 7 23.702 16.003 8.439 63 HG2 LYS 7 HG2 LYS 7 24.776 16.343 10.597 64 HG3 LYS 7 HG1 LYS 7 23.197 16.493 11.366 65 HD2 LYS 7 HD2 LYS 7 24.096 14.262 11.702 66 HD3 LYS 7 HD1 LYS 7 22.661 14.196 10.680 67 HE2 LYS 7 HE2 LYS 7 24.452 12.733 9.858 68 HE3 LYS 7 HE1 LYS 7 24.045 13.997 8.699 69 HZ1 LYS 7 HZ1 LYS 7 26.353 14.075 10.567 70 HZ2 LYS 7 HZ2 LYS 7 25.981 15.235 9.396 71 HZ3 LYS 7 HZ3 LYS 7 26.441 13.678 8.926 72 H VAL 8 HN VAL 8 21.045 17.224 7.815 73 HA VAL 8 HA VAL 8 21.488 18.883 5.454 74 HB VAL 8 HB VAL 8 21.023 15.929 5.045 75 HG11 VAL 8 HG11 VAL 8 22.027 18.095 3.203 76 HG12 VAL 8 HG12 VAL 8 20.405 17.401 3.209 77 HG13 VAL 8 HG13 VAL 8 21.790 16.402 2.772 78 HG21 VAL 8 HG21 VAL 8 23.182 16.108 6.155 79 HG22 VAL 8 HG22 VAL 8 23.697 17.325 4.988 80 HG23 VAL 8 HG23 VAL 8 23.388 15.671 4.460 81 H ARG 9 HN ARG 9 19.492 19.379 7.168 82 HA ARG 9 HA ARG 9 17.141 18.245 5.794 83 HB2 ARG 9 HB2 ARG 9 17.310 19.153 8.672 84 HB3 ARG 9 HB1 ARG 9 15.847 18.601 7.865 85 HG2 ARG 9 HG2 ARG 9 18.322 16.965 8.390 86 HG3 ARG 9 HG1 ARG 9 16.780 16.839 9.236 87 HD2 ARG 9 HD2 ARG 9 15.687 16.050 7.255 88 HD3 ARG 9 HD1 ARG 9 17.117 16.372 6.277 89 HE ARG 9 HE ARG 9 17.468 14.488 8.464 90 HH11 ARG 9 HH11 ARG 9 16.761 14.925 5.064 91 HH12 ARG 9 HH12 ARG 9 17.289 13.335 4.617 92 HH21 ARG 9 HH21 ARG 9 18.165 12.386 7.872 93 HH22 ARG 9 HH22 ARG 9 18.092 11.898 6.209 94 H ALA 10 HN ALA 10 18.869 21.055 6.651 95 HA ALA 10 HA ALA 10 16.759 22.935 6.323 96 HB1 ALA 10 HB1 ALA 10 18.563 24.595 6.138 97 HB2 ALA 10 HB2 ALA 10 19.744 23.288 6.067 98 HB3 ALA 10 HB3 ALA 10 18.781 23.530 7.526 99 H SER 11 HN SER 11 18.044 20.832 4.200 100 HA SER 11 HA SER 11 18.418 22.458 1.893 101 HB2 SER 11 HB2 SER 11 17.937 19.477 2.028 102 HB3 SER 11 HB1 SER 11 18.730 20.373 0.730 103 HG SER 11 HG SER 11 20.180 21.056 2.627 104 H PHE 12 HN PHE 12 15.694 20.712 3.286 105 HA PHE 12 HA PHE 12 14.140 21.076 0.864 106 HB2 PHE 12 HB2 PHE 12 12.309 19.943 2.079 107 HB3 PHE 12 HB1 PHE 12 13.783 18.994 2.024 108 HD1 PHE 12 HD1 PHE 12 14.330 17.859 3.913 109 HD2 PHE 12 HD2 PHE 12 12.161 21.497 4.298 110 HE1 PHE 12 HE1 PHE 12 14.197 17.516 6.345 111 HE2 PHE 12 HE2 PHE 12 12.032 21.168 6.731 112 HZ PHE 12 HZ PHE 12 13.046 19.174 7.758 113 H PHE 13 HN PHE 13 15.018 23.049 3.281 114 HA PHE 13 HA PHE 13 12.477 24.393 3.663 115 HB2 PHE 13 HB2 PHE 13 14.304 24.128 5.440 116 HB3 PHE 13 HB1 PHE 13 15.199 25.354 4.554 117 HD1 PHE 13 HD1 PHE 13 15.054 27.483 5.386 118 HD2 PHE 13 HD2 PHE 13 11.735 24.866 5.856 119 HE1 PHE 13 HE1 PHE 13 13.853 29.238 6.621 120 HE2 PHE 13 HE2 PHE 13 10.527 26.614 7.091 121 HZ PHE 13 HZ PHE 13 11.585 28.804 7.476 122 H LYS 14 HN LYS 14 13.397 24.191 0.989 123 HA LYS 14 HA LYS 14 14.161 26.959 0.338 124 HB2 LYS 14 HB2 LYS 14 14.959 26.066 -1.816 125 HB3 LYS 14 HB1 LYS 14 15.770 25.310 -0.452 126 HG2 LYS 14 HG2 LYS 14 14.322 23.357 -0.667 127 HG3 LYS 14 HG1 LYS 14 13.500 24.115 -2.031 128 HD2 LYS 14 HD2 LYS 14 15.569 24.117 -3.303 129 HD3 LYS 14 HD1 LYS 14 16.438 23.439 -1.924 130 HE2 LYS 14 HE2 LYS 14 14.190 22.108 -3.432 131 HE3 LYS 14 HE1 LYS 14 15.903 21.716 -3.572 132 HZ1 LYS 14 HZ1 LYS 14 15.880 21.126 -1.198 133 HZ2 LYS 14 HZ2 LYS 14 14.840 20.160 -2.114 134 HZ3 LYS 14 HZ3 LYS 14 14.212 21.398 -1.156 135 H GLY 15 HN GLY 15 11.475 25.278 0.677 136 HA2 GLY 15 HA2 GLY 15 9.912 26.907 -1.008 137 HA3 GLY 15 HA1 GLY 15 10.128 25.336 -1.768 138 H GLY 16 HN GLY 16 8.559 23.943 -1.381 139 HA2 GLY 16 HA2 GLY 16 6.546 24.473 0.572 140 HA3 GLY 16 HA1 GLY 16 6.652 23.049 -0.452 141 H GLY 17 HN GLY 17 9.262 22.251 0.372 142 HA2 GLY 17 HA2 GLY 17 10.150 21.952 2.777 143 HA3 GLY 17 HA1 GLY 17 8.576 21.209 3.031 144 H GLY 18 HN GLY 18 9.585 19.246 3.581 145 HA2 GLY 18 HA2 GLY 18 11.256 17.893 1.670 146 HA3 GLY 18 HA1 GLY 18 10.613 17.216 3.162 147 H SER 19 HN SER 19 10.417 17.206 -0.180 148 HA SER 19 HA SER 19 7.731 16.590 -0.663 149 HB2 SER 19 HB2 SER 19 9.363 17.088 -2.450 150 HB3 SER 19 HB1 SER 19 10.185 15.564 -2.121 151 HG SER 19 HG SER 19 8.831 15.136 -3.783 152 H GLY 20 HN GLY 20 6.558 14.984 0.153 153 HA2 GLY 20 HA2 GLY 20 7.882 12.661 1.303 154 HA3 GLY 20 HA1 GLY 20 6.184 13.083 1.468 155 H PHE 21 HN PHE 21 8.549 11.991 -0.927 156 HA PHE 21 HA PHE 21 6.523 10.984 -2.695 157 HB2 PHE 21 HB2 PHE 21 8.750 11.861 -3.449 158 HB3 PHE 21 HB1 PHE 21 9.502 10.446 -2.724 159 HD1 PHE 21 HD1 PHE 21 7.497 11.702 -5.500 160 HD2 PHE 21 HD2 PHE 21 9.249 8.251 -3.731 161 HE1 PHE 21 HE1 PHE 21 7.169 10.458 -7.597 162 HE2 PHE 21 HE2 PHE 21 8.925 7.008 -5.823 163 HZ PHE 21 HZ PHE 21 7.884 8.111 -7.761 164 H ALA 22 HN ALA 22 5.952 8.850 -3.054 165 HA ALA 22 HA ALA 22 6.313 7.098 -0.782 166 HB1 ALA 22 HB1 ALA 22 4.728 6.674 -3.315 167 HB2 ALA 22 HB2 ALA 22 4.101 7.348 -1.811 168 HB3 ALA 22 HB3 ALA 22 4.658 5.675 -1.864 169 H TRP 23 HN TRP 23 8.515 6.557 -0.931 170 HA TRP 23 HA TRP 23 9.501 5.208 -3.302 171 HB2 TRP 23 HB2 TRP 23 10.825 5.643 -0.617 172 HB3 TRP 23 HB1 TRP 23 11.611 5.004 -2.048 173 HD1 TRP 23 HD1 TRP 23 10.523 8.257 -0.439 174 HE1 TRP 23 HE1 TRP 23 11.433 10.223 -1.833 175 HE3 TRP 23 HE3 TRP 23 12.209 5.646 -4.473 176 HZ2 TRP 23 HZ2 TRP 23 12.700 10.604 -4.330 177 HZ3 TRP 23 HZ3 TRP 23 13.261 6.879 -6.330 178 HH2 TRP 23 HH2 TRP 23 13.499 9.308 -6.255 179 H ASN 24 HN ASN 24 7.316 4.107 -1.478 180 HA ASN 24 HA ASN 24 8.584 1.633 -0.585 181 HB2 ASN 24 HB2 ASN 24 6.482 1.185 0.594 182 HB3 ASN 24 HB1 ASN 24 7.119 2.768 1.019 183 HD21 ASN 24 HD21 ASN 24 4.530 1.028 -0.428 184 HD22 ASN 24 HD22 ASN 24 3.501 2.387 -0.720 185 H VAL 25 HN VAL 25 8.187 -0.311 -1.448 186 HA VAL 25 HA VAL 25 6.234 -0.459 -3.649 187 HB VAL 25 HB VAL 25 8.857 -1.959 -3.476 188 HG11 VAL 25 HG11 VAL 25 8.313 -2.750 -5.721 189 HG12 VAL 25 HG12 VAL 25 6.772 -1.898 -5.658 190 HG13 VAL 25 HG13 VAL 25 7.082 -3.243 -4.560 191 HG21 VAL 25 HG21 VAL 25 8.025 0.301 -5.293 192 HG22 VAL 25 HG22 VAL 25 9.526 -0.614 -5.419 193 HG23 VAL 25 HG23 VAL 25 9.220 0.389 -4.000 194 H CYS 26 HN CYS 26 4.611 -1.739 -3.135 195 HA CYS 26 HA CYS 26 4.934 -3.667 -0.979 196 HB2 CYS 26 HB2 CYS 26 2.485 -2.671 -2.432 197 HB3 CYS 26 HB1 CYS 26 2.447 -3.881 -1.158 198 H VAL 27 HN VAL 27 5.331 -5.720 -1.364 199 HA VAL 27 HA VAL 27 4.336 -6.894 -3.870 200 HB VAL 27 HB VAL 27 6.326 -8.443 -3.779 201 HG11 VAL 27 HG11 VAL 27 7.849 -6.833 -4.826 202 HG12 VAL 27 HG12 VAL 27 6.871 -5.507 -4.196 203 HG13 VAL 27 HG13 VAL 27 6.188 -6.620 -5.382 204 HG21 VAL 27 HG21 VAL 27 6.965 -8.036 -1.449 205 HG22 VAL 27 HG22 VAL 27 7.378 -6.370 -1.854 206 HG23 VAL 27 HG23 VAL 27 8.300 -7.701 -2.550 207 H TYR 28 HN TYR 28 3.614 -9.003 -3.766 208 HA TYR 28 HA TYR 28 2.758 -9.835 -1.121 209 HB2 TYR 28 HB2 TYR 28 2.109 -10.859 -3.888 210 HB3 TYR 28 HB1 TYR 28 1.516 -11.620 -2.415 211 HD1 TYR 28 HD1 TYR 28 -0.157 -10.509 -1.026 212 HD2 TYR 28 HD2 TYR 28 1.220 -8.732 -4.638 213 HE1 TYR 28 HE1 TYR 28 -2.066 -8.970 -0.992 214 HE2 TYR 28 HE2 TYR 28 -0.684 -7.187 -4.611 215 HH TYR 28 HH TYR 28 -2.929 -7.059 -3.680 216 H ARG 29 HN ARG 29 4.489 -10.643 -0.086 217 HA ARG 29 HA ARG 29 6.109 -12.705 -1.377 218 HB2 ARG 29 HB2 ARG 29 6.401 -11.243 1.253 219 HB3 ARG 29 HB1 ARG 29 7.472 -12.534 0.730 220 HG2 ARG 29 HG2 ARG 29 8.230 -11.235 -1.134 221 HG3 ARG 29 HG1 ARG 29 7.037 -9.980 -0.796 222 HD2 ARG 29 HD2 ARG 29 9.292 -9.373 -0.020 223 HD3 ARG 29 HD1 ARG 29 8.125 -9.455 1.296 224 HE ARG 29 HE ARG 29 9.546 -11.912 0.941 225 HH11 ARG 29 HH11 ARG 29 9.776 -8.709 2.316 226 HH12 ARG 29 HH12 ARG 29 10.896 -9.175 3.557 227 HH21 ARG 29 HH21 ARG 29 11.007 -12.548 2.578 228 HH22 ARG 29 HH22 ARG 29 11.602 -11.370 3.705 229 H ASN 30 HN ASN 30 5.341 -14.691 -1.250 230 HA ASN 30 HA ASN 30 4.421 -16.615 -0.473 231 HB2 ASN 30 HB2 ASN 30 5.082 -15.399 2.217 232 HB3 ASN 30 HB1 ASN 30 4.559 -17.062 1.976 233 HD21 ASN 30 HD21 ASN 30 7.072 -15.867 3.012 234 HD22 ASN 30 HD22 ASN 30 8.330 -16.592 2.071 235 H GLY 31 HN GLY 31 2.781 -14.248 -0.966 236 HA2 GLY 31 HA2 GLY 31 0.432 -14.198 -1.072 237 HA3 GLY 31 HA1 GLY 31 0.368 -15.252 0.330 238 H VAL 32 HN VAL 32 2.531 -13.115 1.319 239 HA VAL 32 HA VAL 32 0.465 -11.506 2.640 240 HB VAL 32 HB VAL 32 3.358 -11.910 3.424 241 HG11 VAL 32 HG11 VAL 32 2.708 -10.893 5.552 242 HG12 VAL 32 HG12 VAL 32 1.083 -10.617 4.926 243 HG13 VAL 32 HG13 VAL 32 2.458 -9.780 4.206 244 HG21 VAL 32 HG21 VAL 32 2.466 -13.323 5.222 245 HG22 VAL 32 HG22 VAL 32 2.091 -13.977 3.628 246 HG23 VAL 32 HG23 VAL 32 0.844 -13.139 4.552 247 H ARG 33 HN ARG 33 0.295 -9.384 2.304 248 HA ARG 33 HA ARG 33 1.880 -8.064 0.346 249 HB2 ARG 33 HB2 ARG 33 -0.444 -7.427 0.700 250 HB3 ARG 33 HB1 ARG 33 -0.096 -6.976 2.363 251 HG2 ARG 33 HG2 ARG 33 1.400 -5.199 1.538 252 HG3 ARG 33 HG1 ARG 33 0.954 -5.625 -0.115 253 HD2 ARG 33 HD2 ARG 33 -1.320 -5.003 0.261 254 HD3 ARG 33 HD1 ARG 33 -1.041 -4.816 1.991 255 HE ARG 33 HE ARG 33 0.664 -3.024 0.956 256 HH11 ARG 33 HH11 ARG 33 -2.727 -3.629 0.343 257 HH12 ARG 33 HH12 ARG 33 -3.081 -1.977 -0.050 258 HH21 ARG 33 HH21 ARG 33 0.193 -0.840 0.451 259 HH22 ARG 33 HH22 ARG 33 -1.425 -0.396 0.009 260 H VAL 34 HN VAL 34 3.996 -7.910 0.852 261 HA VAL 34 HA VAL 34 4.698 -6.560 3.378 262 HB VAL 34 HB VAL 34 6.505 -8.223 1.605 263 HG11 VAL 34 HG11 VAL 34 6.951 -7.090 4.368 264 HG12 VAL 34 HG12 VAL 34 7.682 -6.498 2.876 265 HG13 VAL 34 HG13 VAL 34 8.078 -8.111 3.474 266 HG21 VAL 34 HG21 VAL 34 6.398 -9.915 3.391 267 HG22 VAL 34 HG22 VAL 34 4.828 -9.643 2.636 268 HG23 VAL 34 HG23 VAL 34 5.178 -8.946 4.218 269 H CYS 35 HN CYS 35 5.272 -4.492 3.159 270 HA CYS 35 HA CYS 35 6.073 -3.591 0.483 271 HB2 CYS 35 HB2 CYS 35 4.091 -2.606 2.080 272 HB3 CYS 35 HB1 CYS 35 5.439 -1.558 2.499 273 H HIS 36 HN HIS 36 8.098 -3.080 0.171 274 HA HIS 36 HA HIS 36 9.783 -2.556 2.496 275 HB2 HIS 36 HB2 HIS 36 11.692 -2.723 0.811 276 HB3 HIS 36 HB1 HIS 36 10.822 -4.202 1.178 277 HD1 HIS 36 HD1 HIS 36 9.632 -5.371 -0.730 278 HD2 HIS 36 HD2 HIS 36 11.289 -1.718 -1.821 279 HE1 HIS 36 HE1 HIS 36 9.512 -5.297 -3.240 280 HE2 HIS 36 HE2 HIS 36 10.710 -3.177 -3.879 281 H ARG 37 HN ARG 37 10.104 -0.579 3.078 282 HA ARG 37 HA ARG 37 9.451 1.573 1.210 283 HB2 ARG 37 HB2 ARG 37 9.868 1.684 4.202 284 HB3 ARG 37 HB1 ARG 37 9.241 2.976 3.189 285 HG2 ARG 37 HG2 ARG 37 7.253 1.698 2.710 286 HG3 ARG 37 HG1 ARG 37 7.892 0.312 3.594 287 HD2 ARG 37 HD2 ARG 37 7.944 1.699 5.637 288 HD3 ARG 37 HD1 ARG 37 7.200 3.014 4.734 289 HE ARG 37 HE ARG 37 5.277 1.474 4.398 290 HH11 ARG 37 HH11 ARG 37 7.467 1.003 7.097 291 HH12 ARG 37 HH12 ARG 37 6.285 0.196 8.078 292 HH21 ARG 37 HH21 ARG 37 3.711 0.440 5.699 293 HH22 ARG 37 HH22 ARG 37 4.145 -0.120 7.285 294 H ARG 38 HN ARG 38 11.162 2.260 0.083 295 HA ARG 38 HA ARG 38 13.832 2.026 1.070 296 HB2 ARG 38 HB2 ARG 38 13.391 1.846 -1.318 297 HB3 ARG 38 HB1 ARG 38 12.742 3.481 -1.345 298 HG2 ARG 38 HG2 ARG 38 14.928 4.374 -0.761 299 HG3 ARG 38 HG1 ARG 38 15.586 2.740 -0.696 300 HD2 ARG 38 HD2 ARG 38 15.055 2.442 -3.069 301 HD3 ARG 38 HD1 ARG 38 14.414 4.085 -3.127 302 HE ARG 38 HE ARG 38 16.918 4.473 -2.204 303 HH11 ARG 38 HH11 ARG 38 15.641 2.723 -4.964 304 HH12 ARG 38 HH12 ARG 38 17.076 2.930 -5.917 305 HH21 ARG 38 HH21 ARG 38 18.796 4.759 -3.477 306 HH22 ARG 38 HH22 ARG 38 18.864 4.083 -5.074 307 H ALA 39 HN ALA 39 14.492 3.259 2.689 308 HA ALA 39 HA ALA 39 13.831 6.129 2.640 309 HB1 ALA 39 HB1 ALA 39 14.396 6.143 5.024 310 HB2 ALA 39 HB2 ALA 39 14.771 4.421 4.945 311 HB3 ALA 39 HB3 ALA 39 13.121 4.977 4.668 312 H ASN 40 HN ASN 40 15.978 4.480 1.238 313 HA ASN 40 HA ASN 40 18.285 6.025 2.185 314 HB2 ASN 40 HB2 ASN 40 19.746 4.284 1.297 315 HB3 ASN 40 HB1 ASN 40 18.624 3.607 2.467 316 HD21 ASN 40 HD21 ASN 40 17.036 2.190 1.780 317 HD22 ASN 40 HD22 ASN 40 17.071 1.449 0.218 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 29.584 23.358 12.151 2 H2 ARG 1 HT2 ARG 1 28.643 24.609 12.792 3 H3 ARG 1 HT3 ARG 1 28.207 23.888 11.326 4 HA ARG 1 HA ARG 1 28.257 22.543 13.958 5 HB2 ARG 1 HB2 ARG 1 26.453 24.253 13.642 6 HB3 ARG 1 HB1 ARG 1 25.891 23.343 12.249 7 HG2 ARG 1 HG2 ARG 1 24.535 22.867 14.195 8 HG3 ARG 1 HG1 ARG 1 25.422 21.430 13.688 9 HD2 ARG 1 HD2 ARG 1 25.444 21.692 16.120 10 HD3 ARG 1 HD1 ARG 1 27.065 21.802 15.443 11 HE ARG 1 HE ARG 1 25.769 24.353 15.799 12 HH11 ARG 1 HH11 ARG 1 27.758 21.891 17.290 13 HH12 ARG 1 HH12 ARG 1 28.415 22.961 18.485 14 HH21 ARG 1 HH21 ARG 1 26.623 25.766 17.384 15 HH22 ARG 1 HH22 ARG 1 27.777 25.165 18.535 16 H VAL 2 HN VAL 2 29.167 20.619 13.397 17 HA VAL 2 HA VAL 2 28.412 19.391 10.859 18 HB VAL 2 HB VAL 2 30.208 17.702 11.464 19 HG11 VAL 2 HG11 VAL 2 32.024 19.215 10.828 20 HG12 VAL 2 HG12 VAL 2 30.998 20.601 11.199 21 HG13 VAL 2 HG13 VAL 2 30.569 19.516 9.878 22 HG21 VAL 2 HG21 VAL 2 30.859 19.759 13.580 23 HG22 VAL 2 HG22 VAL 2 31.843 18.360 13.149 24 HG23 VAL 2 HG23 VAL 2 30.257 18.128 13.884 25 H GLN 3 HN GLN 3 26.206 19.127 11.934 26 HA GLN 3 HA GLN 3 25.964 16.851 13.705 27 HB2 GLN 3 HB2 GLN 3 23.894 18.513 12.256 28 HB3 GLN 3 HB1 GLN 3 23.505 17.192 13.347 29 HG2 GLN 3 HG2 GLN 3 25.097 19.607 14.151 30 HG3 GLN 3 HG1 GLN 3 23.352 19.472 14.347 31 HE21 GLN 3 HE21 GLN 3 22.527 18.090 15.897 32 HE22 GLN 3 HE22 GLN 3 23.502 17.416 17.155 33 H GLY 4 HN GLY 4 27.148 15.417 12.242 34 HA2 GLY 4 HA2 GLY 4 26.881 13.452 10.992 35 HA3 GLY 4 HA1 GLY 4 25.322 14.043 10.435 36 H ARG 5 HN ARG 5 28.820 14.447 10.057 37 HA ARG 5 HA ARG 5 28.598 16.198 7.831 38 HB2 ARG 5 HB2 ARG 5 31.021 15.763 7.496 39 HB3 ARG 5 HB1 ARG 5 30.614 16.252 9.131 40 HG2 ARG 5 HG2 ARG 5 32.137 14.568 9.491 41 HG3 ARG 5 HG1 ARG 5 30.607 13.704 9.624 42 HD2 ARG 5 HD2 ARG 5 30.842 12.987 7.276 43 HD3 ARG 5 HD1 ARG 5 32.403 13.803 7.201 44 HE ARG 5 HE ARG 5 32.525 12.063 9.351 45 HH11 ARG 5 HH11 ARG 5 32.085 11.833 5.892 46 HH12 ARG 5 HH12 ARG 5 32.802 10.260 5.775 47 HH21 ARG 5 HH21 ARG 5 33.464 9.983 9.213 48 HH22 ARG 5 HH22 ARG 5 33.586 9.200 7.671 49 H TRP 6 HN TRP 6 28.544 12.748 8.152 50 HA TRP 6 HA TRP 6 29.019 12.311 5.326 51 HB2 TRP 6 HB2 TRP 6 29.037 10.020 5.798 52 HB3 TRP 6 HB1 TRP 6 29.710 10.741 7.251 53 HD1 TRP 6 HD1 TRP 6 27.801 11.049 9.331 54 HE1 TRP 6 HE1 TRP 6 25.997 9.362 10.053 55 HE3 TRP 6 HE3 TRP 6 27.578 8.234 5.074 56 HZ2 TRP 6 HZ2 TRP 6 24.655 7.134 8.960 57 HZ3 TRP 6 HZ3 TRP 6 26.009 6.342 4.993 58 HH2 TRP 6 HH2 TRP 6 24.578 5.804 6.897 59 H LYS 7 HN LYS 7 26.445 13.164 7.263 60 HA LYS 7 HA LYS 7 24.376 11.795 5.786 61 HB2 LYS 7 HB2 LYS 7 24.154 12.342 8.215 62 HB3 LYS 7 HB1 LYS 7 24.115 14.048 7.792 63 HG2 LYS 7 HG2 LYS 7 22.103 13.541 6.376 64 HG3 LYS 7 HG1 LYS 7 22.095 11.935 7.103 65 HD2 LYS 7 HD2 LYS 7 21.886 12.963 9.325 66 HD3 LYS 7 HD1 LYS 7 21.853 14.560 8.570 67 HE2 LYS 7 HE2 LYS 7 19.850 12.337 8.177 68 HE3 LYS 7 HE1 LYS 7 19.598 13.831 9.077 69 HZ1 LYS 7 HZ1 LYS 7 19.862 15.074 7.023 70 HZ2 LYS 7 HZ2 LYS 7 18.622 13.938 6.870 71 HZ3 LYS 7 HZ3 LYS 7 20.124 13.645 6.157 72 H VAL 8 HN VAL 8 26.276 14.502 5.276 73 HA VAL 8 HA VAL 8 24.331 16.205 4.041 74 HB VAL 8 HB VAL 8 27.329 16.328 3.687 75 HG11 VAL 8 HG11 VAL 8 25.190 18.446 3.462 76 HG12 VAL 8 HG12 VAL 8 26.062 17.702 2.122 77 HG13 VAL 8 HG13 VAL 8 26.923 18.712 3.283 78 HG21 VAL 8 HG21 VAL 8 26.793 16.301 6.069 79 HG22 VAL 8 HG22 VAL 8 25.640 17.614 5.832 80 HG23 VAL 8 HG23 VAL 8 27.361 17.892 5.566 81 H ARG 9 HN ARG 9 23.600 14.167 2.828 82 HA ARG 9 HA ARG 9 24.937 14.114 0.202 83 HB2 ARG 9 HB2 ARG 9 23.395 11.904 1.572 84 HB3 ARG 9 HB1 ARG 9 24.044 11.822 -0.061 85 HG2 ARG 9 HG2 ARG 9 26.302 11.989 0.786 86 HG3 ARG 9 HG1 ARG 9 25.694 12.184 2.433 87 HD2 ARG 9 HD2 ARG 9 26.434 9.896 2.034 88 HD3 ARG 9 HD1 ARG 9 24.698 9.960 2.332 89 HE ARG 9 HE ARG 9 25.611 9.948 -0.445 90 HH11 ARG 9 HH11 ARG 9 24.114 8.259 2.234 91 HH12 ARG 9 HH12 ARG 9 23.502 6.973 1.243 92 HH21 ARG 9 HH21 ARG 9 24.796 8.269 -1.755 93 HH22 ARG 9 HH22 ARG 9 23.898 6.974 -1.029 94 H ALA 10 HN ALA 10 22.282 15.141 1.871 95 HA ALA 10 HA ALA 10 20.357 14.638 -0.227 96 HB1 ALA 10 HB1 ALA 10 19.980 16.153 2.347 97 HB2 ALA 10 HB2 ALA 10 19.681 14.428 2.136 98 HB3 ALA 10 HB3 ALA 10 18.713 15.608 1.251 99 H SER 11 HN SER 11 22.799 16.569 -0.146 100 HA SER 11 HA SER 11 21.780 19.178 -0.540 101 HB2 SER 11 HB2 SER 11 24.096 19.446 -1.684 102 HB3 SER 11 HB1 SER 11 24.053 19.051 0.036 103 HG SER 11 HG SER 11 25.402 17.752 -1.643 104 H PHE 12 HN PHE 12 21.816 16.386 -2.481 105 HA PHE 12 HA PHE 12 21.689 17.784 -5.009 106 HB2 PHE 12 HB2 PHE 12 21.245 14.862 -4.365 107 HB3 PHE 12 HB1 PHE 12 21.386 15.543 -5.982 108 HD1 PHE 12 HD1 PHE 12 23.154 14.453 -3.017 109 HD2 PHE 12 HD2 PHE 12 23.547 16.421 -6.767 110 HE1 PHE 12 HE1 PHE 12 25.593 14.147 -2.918 111 HE2 PHE 12 HE2 PHE 12 25.985 16.119 -6.675 112 HZ PHE 12 HZ PHE 12 27.010 14.978 -4.746 113 H PHE 13 HN PHE 13 19.568 17.456 -2.571 114 HA PHE 13 HA PHE 13 17.240 17.209 -4.343 115 HB2 PHE 13 HB2 PHE 13 17.427 16.994 -1.330 116 HB3 PHE 13 HB1 PHE 13 15.926 16.919 -2.246 117 HD1 PHE 13 HD1 PHE 13 15.393 14.981 -3.605 118 HD2 PHE 13 HD2 PHE 13 18.979 15.167 -1.337 119 HE1 PHE 13 HE1 PHE 13 15.690 12.555 -3.886 120 HE2 PHE 13 HE2 PHE 13 19.290 12.740 -1.609 121 HZ PHE 13 HZ PHE 13 17.640 11.431 -2.887 122 H LYS 14 HN LYS 14 17.961 19.407 -5.053 123 HA LYS 14 HA LYS 14 17.410 21.583 -3.237 124 HB2 LYS 14 HB2 LYS 14 19.221 21.722 -4.929 125 HB3 LYS 14 HB1 LYS 14 18.012 21.617 -6.199 126 HG2 LYS 14 HG2 LYS 14 17.025 23.729 -5.391 127 HG3 LYS 14 HG1 LYS 14 18.319 23.844 -4.197 128 HD2 LYS 14 HD2 LYS 14 18.749 23.703 -7.182 129 HD3 LYS 14 HD1 LYS 14 18.730 25.196 -6.243 130 HE2 LYS 14 HE2 LYS 14 20.630 22.893 -5.809 131 HE3 LYS 14 HE1 LYS 14 21.013 24.366 -6.696 132 HZ1 LYS 14 HZ1 LYS 14 20.624 25.641 -4.682 133 HZ2 LYS 14 HZ2 LYS 14 21.812 24.466 -4.422 134 HZ3 LYS 14 HZ3 LYS 14 20.250 24.227 -3.832 135 H GLY 15 HN GLY 15 15.717 19.601 -5.311 136 HA2 GLY 15 HA2 GLY 15 13.226 20.832 -4.747 137 HA3 GLY 15 HA1 GLY 15 13.720 21.178 -6.401 138 H GLY 16 HN GLY 16 11.989 19.096 -4.515 139 HA2 GLY 16 HA2 GLY 16 12.349 16.881 -6.437 140 HA3 GLY 16 HA1 GLY 16 11.856 16.660 -4.765 141 H GLY 17 HN GLY 17 10.421 19.395 -6.059 142 HA2 GLY 17 HA2 GLY 17 8.309 19.859 -6.843 143 HA3 GLY 17 HA1 GLY 17 8.238 18.213 -7.454 144 H GLY 18 HN GLY 18 8.670 19.351 -4.134 145 HA2 GLY 18 HA2 GLY 18 7.062 19.307 -2.406 146 HA3 GLY 18 HA1 GLY 18 6.019 18.329 -3.431 147 H SER 19 HN SER 19 5.759 16.360 -2.624 148 HA SER 19 HA SER 19 7.623 15.200 -0.805 149 HB2 SER 19 HB2 SER 19 6.076 13.156 -1.137 150 HB3 SER 19 HB1 SER 19 5.376 14.609 -0.420 151 HG SER 19 HG SER 19 3.971 13.986 -1.990 152 H GLY 20 HN GLY 20 9.535 14.496 -1.474 153 HA2 GLY 20 HA2 GLY 20 9.828 13.400 -4.168 154 HA3 GLY 20 HA1 GLY 20 11.134 13.826 -3.070 155 H PHE 21 HN PHE 21 9.848 12.388 -0.842 156 HA PHE 21 HA PHE 21 10.490 9.651 -1.708 157 HB2 PHE 21 HB2 PHE 21 10.596 10.838 1.077 158 HB3 PHE 21 HB1 PHE 21 11.057 9.199 0.637 159 HD1 PHE 21 HD1 PHE 21 13.131 8.757 -0.523 160 HD2 PHE 21 HD2 PHE 21 12.006 12.723 0.531 161 HE1 PHE 21 HE1 PHE 21 15.430 9.522 -0.952 162 HE2 PHE 21 HE2 PHE 21 14.301 13.491 0.104 163 HZ PHE 21 HZ PHE 21 16.017 11.891 -0.639 164 H ALA 22 HN ALA 22 8.653 8.650 -2.163 165 HA ALA 22 HA ALA 22 6.771 8.080 -0.102 166 HB1 ALA 22 HB1 ALA 22 5.794 9.749 -2.426 167 HB2 ALA 22 HB2 ALA 22 5.916 10.287 -0.751 168 HB3 ALA 22 HB3 ALA 22 4.782 9.009 -1.185 169 H TRP 23 HN TRP 23 8.083 6.197 -1.084 170 HA TRP 23 HA TRP 23 6.490 5.012 -3.221 171 HB2 TRP 23 HB2 TRP 23 8.602 4.140 -4.275 172 HB3 TRP 23 HB1 TRP 23 8.329 5.861 -4.451 173 HD1 TRP 23 HD1 TRP 23 9.747 7.333 -2.416 174 HE1 TRP 23 HE1 TRP 23 12.227 7.042 -1.788 175 HE3 TRP 23 HE3 TRP 23 10.474 2.618 -4.218 176 HZ2 TRP 23 HZ2 TRP 23 14.225 5.069 -2.036 177 HZ3 TRP 23 HZ3 TRP 23 12.701 1.599 -3.990 178 HH2 TRP 23 HH2 TRP 23 14.537 2.800 -2.921 179 H ASN 24 HN ASN 24 5.610 3.951 -1.348 180 HA ASN 24 HA ASN 24 7.139 1.914 -0.052 181 HB2 ASN 24 HB2 ASN 24 4.877 1.059 0.669 182 HB3 ASN 24 HB1 ASN 24 5.214 2.724 1.120 183 HD21 ASN 24 HD21 ASN 24 3.181 0.613 -0.667 184 HD22 ASN 24 HD22 ASN 24 2.089 1.817 -1.264 185 H VAL 25 HN VAL 25 7.982 0.298 -1.192 186 HA VAL 25 HA VAL 25 6.640 -0.609 -3.607 187 HB VAL 25 HB VAL 25 9.213 -1.691 -2.461 188 HG11 VAL 25 HG11 VAL 25 8.099 -1.650 -5.263 189 HG12 VAL 25 HG12 VAL 25 8.172 -3.049 -4.191 190 HG13 VAL 25 HG13 VAL 25 9.662 -2.315 -4.784 191 HG21 VAL 25 HG21 VAL 25 8.863 0.625 -4.363 192 HG22 VAL 25 HG22 VAL 25 10.399 -0.113 -3.910 193 HG23 VAL 25 HG23 VAL 25 9.432 0.726 -2.698 194 H CYS 26 HN CYS 26 4.941 -1.845 -3.126 195 HA CYS 26 HA CYS 26 5.173 -3.835 -1.000 196 HB2 CYS 26 HB2 CYS 26 2.719 -2.927 -2.511 197 HB3 CYS 26 HB1 CYS 26 2.750 -3.940 -1.071 198 H VAL 27 HN VAL 27 5.739 -5.799 -1.541 199 HA VAL 27 HA VAL 27 4.808 -6.878 -4.123 200 HB VAL 27 HB VAL 27 6.700 -8.443 -4.054 201 HG11 VAL 27 HG11 VAL 27 8.513 -6.829 -4.471 202 HG12 VAL 27 HG12 VAL 27 7.515 -5.552 -3.773 203 HG13 VAL 27 HG13 VAL 27 7.002 -6.363 -5.253 204 HG21 VAL 27 HG21 VAL 27 6.986 -8.602 -1.640 205 HG22 VAL 27 HG22 VAL 27 7.550 -6.931 -1.583 206 HG23 VAL 27 HG23 VAL 27 8.505 -8.156 -2.419 207 H TYR 28 HN TYR 28 4.113 -9.099 -4.116 208 HA TYR 28 HA TYR 28 2.933 -9.820 -1.552 209 HB2 TYR 28 HB2 TYR 28 2.417 -10.825 -4.353 210 HB3 TYR 28 HB1 TYR 28 1.634 -11.478 -2.918 211 HD1 TYR 28 HD1 TYR 28 0.557 -9.596 -1.354 212 HD2 TYR 28 HD2 TYR 28 1.263 -9.193 -5.530 213 HE1 TYR 28 HE1 TYR 28 -1.141 -7.833 -1.463 214 HE2 TYR 28 HE2 TYR 28 -0.437 -7.426 -5.648 215 HH TYR 28 HH TYR 28 -2.408 -6.668 -4.388 216 H ARG 29 HN ARG 29 4.310 -10.848 -0.317 217 HA ARG 29 HA ARG 29 5.844 -13.089 -1.456 218 HB2 ARG 29 HB2 ARG 29 7.258 -11.283 -0.594 219 HB3 ARG 29 HB1 ARG 29 6.434 -11.361 0.957 220 HG2 ARG 29 HG2 ARG 29 8.554 -12.452 1.131 221 HG3 ARG 29 HG1 ARG 29 7.275 -13.662 1.248 222 HD2 ARG 29 HD2 ARG 29 7.618 -14.231 -1.116 223 HD3 ARG 29 HD1 ARG 29 8.910 -13.033 -1.212 224 HE ARG 29 HE ARG 29 9.248 -15.048 0.835 225 HH11 ARG 29 HH11 ARG 29 9.912 -14.129 -2.479 226 HH12 ARG 29 HH12 ARG 29 11.287 -15.173 -2.625 227 HH21 ARG 29 HH21 ARG 29 11.043 -16.428 0.643 228 HH22 ARG 29 HH22 ARG 29 11.925 -16.498 -0.848 229 H ASN 30 HN ASN 30 5.001 -14.975 -0.967 230 HA ASN 30 HA ASN 30 3.957 -16.679 0.089 231 HB2 ASN 30 HB2 ASN 30 4.732 -15.151 2.583 232 HB3 ASN 30 HB1 ASN 30 4.074 -16.783 2.575 233 HD21 ASN 30 HD21 ASN 30 5.347 -18.486 1.807 234 HD22 ASN 30 HD22 ASN 30 7.061 -18.327 1.623 235 H GLY 31 HN GLY 31 2.408 -14.519 -0.868 236 HA2 GLY 31 HA2 GLY 31 0.178 -13.951 -0.878 237 HA3 GLY 31 HA1 GLY 31 -0.063 -15.072 0.452 238 H VAL 32 HN VAL 32 2.373 -12.801 1.055 239 HA VAL 32 HA VAL 32 0.496 -11.121 2.582 240 HB VAL 32 HB VAL 32 3.382 -11.707 3.265 241 HG11 VAL 32 HG11 VAL 32 2.660 -9.515 4.026 242 HG12 VAL 32 HG12 VAL 32 2.867 -10.608 5.395 243 HG13 VAL 32 HG13 VAL 32 1.249 -10.234 4.803 244 HG21 VAL 32 HG21 VAL 32 0.866 -12.756 4.552 245 HG22 VAL 32 HG22 VAL 32 2.511 -13.033 5.123 246 HG23 VAL 32 HG23 VAL 32 1.993 -13.690 3.569 247 H ARG 33 HN ARG 33 0.467 -9.017 2.055 248 HA ARG 33 HA ARG 33 2.189 -7.979 0.027 249 HB2 ARG 33 HB2 ARG 33 -0.071 -7.125 0.202 250 HB3 ARG 33 HB1 ARG 33 0.210 -6.611 1.860 251 HG2 ARG 33 HG2 ARG 33 1.865 -4.988 1.071 252 HG3 ARG 33 HG1 ARG 33 1.558 -5.498 -0.590 253 HD2 ARG 33 HD2 ARG 33 -0.570 -4.405 1.235 254 HD3 ARG 33 HD1 ARG 33 0.377 -3.400 0.141 255 HE ARG 33 HE ARG 33 -0.895 -5.607 -1.176 256 HH11 ARG 33 HH11 ARG 33 -1.372 -2.351 0.005 257 HH12 ARG 33 HH12 ARG 33 -2.626 -1.981 -1.136 258 HH21 ARG 33 HH21 ARG 33 -2.531 -5.130 -2.695 259 HH22 ARG 33 HH22 ARG 33 -3.281 -3.560 -2.678 260 H VAL 34 HN VAL 34 4.273 -7.680 0.457 261 HA VAL 34 HA VAL 34 5.031 -6.526 3.053 262 HB VAL 34 HB VAL 34 6.823 -7.895 1.037 263 HG11 VAL 34 HG11 VAL 34 7.986 -6.303 2.477 264 HG12 VAL 34 HG12 VAL 34 8.440 -7.960 2.875 265 HG13 VAL 34 HG13 VAL 34 7.307 -7.084 3.904 266 HG21 VAL 34 HG21 VAL 34 5.187 -9.464 1.952 267 HG22 VAL 34 HG22 VAL 34 5.640 -8.990 3.588 268 HG23 VAL 34 HG23 VAL 34 6.808 -9.811 2.553 269 H CYS 35 HN CYS 35 5.028 -4.389 2.879 270 HA CYS 35 HA CYS 35 5.998 -3.096 0.460 271 HB2 CYS 35 HB2 CYS 35 4.870 -1.882 2.990 272 HB3 CYS 35 HB1 CYS 35 5.178 -1.034 1.477 273 H HIS 36 HN HIS 36 8.144 -3.013 0.314 274 HA HIS 36 HA HIS 36 9.676 -2.446 2.745 275 HB2 HIS 36 HB2 HIS 36 11.666 -3.171 1.455 276 HB3 HIS 36 HB1 HIS 36 10.441 -4.423 1.584 277 HD1 HIS 36 HD1 HIS 36 9.653 -5.452 -0.551 278 HD2 HIS 36 HD2 HIS 36 11.811 -1.955 -1.180 279 HE1 HIS 36 HE1 HIS 36 9.981 -5.297 -3.036 280 HE2 HIS 36 HE2 HIS 36 11.454 -3.280 -3.370 281 H ARG 37 HN ARG 37 10.982 -0.702 2.952 282 HA ARG 37 HA ARG 37 10.937 1.271 0.762 283 HB2 ARG 37 HB2 ARG 37 10.702 1.856 3.723 284 HB3 ARG 37 HB1 ARG 37 10.746 3.054 2.438 285 HG2 ARG 37 HG2 ARG 37 8.638 2.158 1.555 286 HG3 ARG 37 HG1 ARG 37 8.592 1.000 2.884 287 HD2 ARG 37 HD2 ARG 37 8.612 2.905 4.474 288 HD3 ARG 37 HD1 ARG 37 8.510 4.006 3.102 289 HE ARG 37 HE ARG 37 6.421 2.038 3.805 290 HH11 ARG 37 HH11 ARG 37 7.401 5.133 2.487 291 HH12 ARG 37 HH12 ARG 37 5.776 5.694 2.264 292 HH21 ARG 37 HH21 ARG 37 4.282 2.772 3.512 293 HH22 ARG 37 HH22 ARG 37 4.001 4.359 2.862 294 H ARG 38 HN ARG 38 12.742 2.792 0.838 295 HA ARG 38 HA ARG 38 15.188 1.422 1.544 296 HB2 ARG 38 HB2 ARG 38 14.969 2.582 -0.620 297 HB3 ARG 38 HB1 ARG 38 14.743 4.107 0.223 298 HG2 ARG 38 HG2 ARG 38 17.005 3.907 1.159 299 HG3 ARG 38 HG1 ARG 38 17.226 2.403 0.262 300 HD2 ARG 38 HD2 ARG 38 18.253 4.245 -0.934 301 HD3 ARG 38 HD1 ARG 38 16.872 3.626 -1.842 302 HE ARG 38 HE ARG 38 16.081 5.779 -0.182 303 HH11 ARG 38 HH11 ARG 38 17.799 5.087 -3.157 304 HH12 ARG 38 HH12 ARG 38 17.479 6.645 -3.851 305 HH21 ARG 38 HH21 ARG 38 15.665 7.815 -1.088 306 HH22 ARG 38 HH22 ARG 38 16.271 8.201 -2.669 307 H ALA 39 HN ALA 39 16.479 1.874 3.214 308 HA ALA 39 HA ALA 39 17.244 2.724 5.168 309 HB1 ALA 39 HB1 ALA 39 16.196 5.350 4.111 310 HB2 ALA 39 HB2 ALA 39 17.787 4.670 3.771 311 HB3 ALA 39 HB3 ALA 39 17.364 5.142 5.416 312 H ASN 40 HN ASN 40 14.938 1.419 5.443 313 HA ASN 40 HA ASN 40 13.173 3.115 7.073 314 HB2 ASN 40 HB2 ASN 40 12.137 1.866 5.178 315 HB3 ASN 40 HB1 ASN 40 12.630 0.359 5.942 316 HD21 ASN 40 HD21 ASN 40 10.507 -0.342 6.138 317 HD22 ASN 40 HD22 ASN 40 9.411 0.345 7.286 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 21.945 8.204 -15.818 2 H2 ARG 1 HT2 ARG 1 21.033 9.570 -15.408 3 H3 ARG 1 HT3 ARG 1 20.628 8.063 -14.766 4 HA ARG 1 HA ARG 1 22.583 7.968 -13.472 5 HB2 ARG 1 HB2 ARG 1 24.280 9.656 -13.488 6 HB3 ARG 1 HB1 ARG 1 24.026 9.158 -15.151 7 HG2 ARG 1 HG2 ARG 1 22.677 11.591 -14.027 8 HG3 ARG 1 HG1 ARG 1 24.320 11.652 -14.659 9 HD2 ARG 1 HD2 ARG 1 23.506 10.792 -16.811 10 HD3 ARG 1 HD1 ARG 1 21.865 10.783 -16.175 11 HE ARG 1 HE ARG 1 22.518 13.328 -15.808 12 HH11 ARG 1 HH11 ARG 1 23.025 11.255 -18.584 13 HH12 ARG 1 HH12 ARG 1 22.939 12.554 -19.732 14 HH21 ARG 1 HH21 ARG 1 22.403 15.045 -17.319 15 HH22 ARG 1 HH22 ARG 1 22.597 14.712 -19.010 16 H VAL 2 HN VAL 2 22.607 8.854 -11.368 17 HA VAL 2 HA VAL 2 20.393 10.712 -10.861 18 HB VAL 2 HB VAL 2 21.889 9.025 -8.842 19 HG11 VAL 2 HG11 VAL 2 19.981 9.514 -7.381 20 HG12 VAL 2 HG12 VAL 2 19.282 10.533 -8.639 21 HG13 VAL 2 HG13 VAL 2 20.807 10.989 -7.881 22 HG21 VAL 2 HG21 VAL 2 20.733 7.591 -10.437 23 HG22 VAL 2 HG22 VAL 2 19.237 8.488 -10.178 24 HG23 VAL 2 HG23 VAL 2 19.939 7.543 -8.864 25 H GLN 3 HN GLN 3 21.737 12.488 -11.637 26 HA GLN 3 HA GLN 3 23.945 13.294 -9.932 27 HB2 GLN 3 HB2 GLN 3 23.920 13.725 -12.411 28 HB3 GLN 3 HB1 GLN 3 22.603 14.860 -12.144 29 HG2 GLN 3 HG2 GLN 3 24.096 16.150 -10.638 30 HG3 GLN 3 HG1 GLN 3 25.411 15.066 -11.089 31 HE21 GLN 3 HE21 GLN 3 26.212 15.128 -13.210 32 HE22 GLN 3 HE22 GLN 3 25.944 16.500 -14.233 33 H GLY 4 HN GLY 4 23.009 13.598 -7.937 34 HA2 GLY 4 HA2 GLY 4 22.175 15.229 -6.414 35 HA3 GLY 4 HA1 GLY 4 21.207 15.904 -7.718 36 H ARG 5 HN ARG 5 21.182 13.952 -5.011 37 HA ARG 5 HA ARG 5 19.141 12.114 -5.684 38 HB2 ARG 5 HB2 ARG 5 20.460 11.595 -3.785 39 HB3 ARG 5 HB1 ARG 5 20.185 13.171 -3.062 40 HG2 ARG 5 HG2 ARG 5 17.792 11.493 -3.505 41 HG3 ARG 5 HG1 ARG 5 18.927 10.948 -2.269 42 HD2 ARG 5 HD2 ARG 5 18.754 13.047 -1.110 43 HD3 ARG 5 HD1 ARG 5 17.772 13.737 -2.404 44 HE ARG 5 HE ARG 5 16.161 11.823 -1.724 45 HH11 ARG 5 HH11 ARG 5 18.238 13.556 0.501 46 HH12 ARG 5 HH12 ARG 5 17.101 13.490 1.808 47 HH21 ARG 5 HH21 ARG 5 14.674 11.727 0.001 48 HH22 ARG 5 HH22 ARG 5 15.076 12.459 1.525 49 H TRP 6 HN TRP 6 19.075 15.295 -4.096 50 HA TRP 6 HA TRP 6 16.168 15.189 -4.178 51 HB2 TRP 6 HB2 TRP 6 16.384 17.425 -2.932 52 HB3 TRP 6 HB1 TRP 6 16.778 15.941 -2.096 53 HD1 TRP 6 HD1 TRP 6 18.790 18.617 -4.099 54 HE1 TRP 6 HE1 TRP 6 20.986 19.058 -2.834 55 HE3 TRP 6 HE3 TRP 6 18.173 15.323 -0.234 56 HZ2 TRP 6 HZ2 TRP 6 22.277 18.139 -0.498 57 HZ3 TRP 6 HZ3 TRP 6 19.935 15.173 1.477 58 HH2 TRP 6 HH2 TRP 6 21.944 16.554 1.347 59 H LYS 7 HN LYS 7 15.390 15.610 -6.029 60 HA LYS 7 HA LYS 7 16.411 17.901 -7.571 61 HB2 LYS 7 HB2 LYS 7 14.965 15.422 -8.517 62 HB3 LYS 7 HB1 LYS 7 15.411 16.771 -9.550 63 HG2 LYS 7 HG2 LYS 7 17.757 16.361 -9.139 64 HG3 LYS 7 HG1 LYS 7 17.356 15.069 -8.006 65 HD2 LYS 7 HD2 LYS 7 16.554 15.064 -10.910 66 HD3 LYS 7 HD1 LYS 7 18.019 14.298 -10.294 67 HE2 LYS 7 HE2 LYS 7 16.721 12.818 -8.907 68 HE3 LYS 7 HE1 LYS 7 15.232 13.654 -9.345 69 HZ1 LYS 7 HZ1 LYS 7 15.582 11.561 -10.562 70 HZ2 LYS 7 HZ2 LYS 7 16.965 12.216 -11.274 71 HZ3 LYS 7 HZ3 LYS 7 15.451 12.901 -11.585 72 H VAL 8 HN VAL 8 13.396 16.059 -7.154 73 HA VAL 8 HA VAL 8 11.801 18.325 -7.934 74 HB VAL 8 HB VAL 8 9.868 16.796 -7.452 75 HG11 VAL 8 HG11 VAL 8 12.030 15.747 -9.277 76 HG12 VAL 8 HG12 VAL 8 10.817 16.961 -9.683 77 HG13 VAL 8 HG13 VAL 8 10.325 15.300 -9.351 78 HG21 VAL 8 HG21 VAL 8 10.332 14.433 -7.042 79 HG22 VAL 8 HG22 VAL 8 10.935 15.431 -5.719 80 HG23 VAL 8 HG23 VAL 8 12.054 14.783 -6.917 81 H ARG 9 HN ARG 9 13.171 19.175 -5.819 82 HA ARG 9 HA ARG 9 12.030 18.670 -3.277 83 HB2 ARG 9 HB2 ARG 9 13.597 21.086 -4.187 84 HB3 ARG 9 HB1 ARG 9 13.325 20.596 -2.522 85 HG2 ARG 9 HG2 ARG 9 14.584 18.527 -2.952 86 HG3 ARG 9 HG1 ARG 9 14.903 19.087 -4.596 87 HD2 ARG 9 HD2 ARG 9 16.803 19.555 -3.156 88 HD3 ARG 9 HD1 ARG 9 16.048 21.058 -3.687 89 HE ARG 9 HE ARG 9 15.164 20.035 -1.124 90 HH11 ARG 9 HH11 ARG 9 17.386 22.156 -2.804 91 HH12 ARG 9 HH12 ARG 9 17.606 23.209 -1.443 92 HH21 ARG 9 HH21 ARG 9 15.470 21.412 0.669 93 HH22 ARG 9 HH22 ARG 9 16.524 22.779 0.529 94 H ALA 10 HN ALA 10 11.412 21.058 -5.780 95 HA ALA 10 HA ALA 10 9.589 22.580 -4.181 96 HB1 ALA 10 HB1 ALA 10 9.980 22.641 -7.165 97 HB2 ALA 10 HB2 ALA 10 10.905 23.593 -6.006 98 HB3 ALA 10 HB3 ALA 10 9.172 23.862 -6.184 99 H SER 11 HN SER 11 9.304 19.583 -5.173 100 HA SER 11 HA SER 11 6.442 19.817 -5.803 101 HB2 SER 11 HB2 SER 11 8.225 17.393 -6.137 102 HB3 SER 11 HB1 SER 11 6.573 17.583 -6.726 103 HG SER 11 HG SER 11 8.325 19.548 -7.550 104 H PHE 12 HN PHE 12 8.428 19.520 -3.274 105 HA PHE 12 HA PHE 12 6.653 17.685 -1.812 106 HB2 PHE 12 HB2 PHE 12 9.530 18.453 -1.354 107 HB3 PHE 12 HB1 PHE 12 8.561 17.696 -0.099 108 HD1 PHE 12 HD1 PHE 12 7.377 15.474 -0.784 109 HD2 PHE 12 HD2 PHE 12 10.743 17.127 -2.792 110 HE1 PHE 12 HE1 PHE 12 7.926 13.251 -1.684 111 HE2 PHE 12 HE2 PHE 12 11.299 14.908 -3.696 112 HZ PHE 12 HZ PHE 12 9.889 12.967 -3.144 113 H PHE 13 HN PHE 13 8.742 20.450 -0.957 114 HA PHE 13 HA PHE 13 8.482 22.123 0.556 115 HB2 PHE 13 HB2 PHE 13 5.637 21.950 -0.445 116 HB3 PHE 13 HB1 PHE 13 6.203 23.206 0.649 117 HD1 PHE 13 HD1 PHE 13 5.387 22.648 -2.599 118 HD2 PHE 13 HD2 PHE 13 8.591 24.230 -0.289 119 HE1 PHE 13 HE1 PHE 13 6.102 24.003 -4.524 120 HE2 PHE 13 HE2 PHE 13 9.313 25.585 -2.211 121 HZ PHE 13 HZ PHE 13 8.067 25.473 -4.331 122 H LYS 14 HN LYS 14 8.620 19.681 1.721 123 HA LYS 14 HA LYS 14 6.486 19.650 3.743 124 HB2 LYS 14 HB2 LYS 14 8.483 17.482 3.071 125 HB3 LYS 14 HB1 LYS 14 7.174 17.352 4.233 126 HG2 LYS 14 HG2 LYS 14 6.907 17.664 1.251 127 HG3 LYS 14 HG1 LYS 14 6.577 16.215 2.201 128 HD2 LYS 14 HD2 LYS 14 5.091 18.835 2.401 129 HD3 LYS 14 HD1 LYS 14 4.516 17.390 1.572 130 HE2 LYS 14 HE2 LYS 14 4.563 16.169 3.706 131 HE3 LYS 14 HE1 LYS 14 5.100 17.635 4.523 132 HZ1 LYS 14 HZ1 LYS 14 2.714 17.294 4.754 133 HZ2 LYS 14 HZ2 LYS 14 2.526 17.325 3.077 134 HZ3 LYS 14 HZ3 LYS 14 3.039 18.712 3.895 135 H GLY 15 HN GLY 15 9.286 21.090 3.396 136 HA2 GLY 15 HA2 GLY 15 10.670 22.087 4.945 137 HA3 GLY 15 HA1 GLY 15 9.778 21.263 6.213 138 H GLY 16 HN GLY 16 10.726 19.617 7.225 139 HA2 GLY 16 HA2 GLY 16 13.270 18.636 6.113 140 HA3 GLY 16 HA1 GLY 16 12.817 18.589 7.809 141 H GLY 17 HN GLY 17 10.172 17.751 6.000 142 HA2 GLY 17 HA2 GLY 17 9.914 15.511 4.914 143 HA3 GLY 17 HA1 GLY 17 10.811 14.880 6.290 144 H GLY 18 HN GLY 18 9.720 14.287 8.069 145 HA2 GLY 18 HA2 GLY 18 7.967 14.079 9.563 146 HA3 GLY 18 HA1 GLY 18 7.111 15.341 8.686 147 H SER 19 HN SER 19 6.160 14.715 6.594 148 HA SER 19 HA SER 19 4.723 12.260 6.765 149 HB2 SER 19 HB2 SER 19 4.983 14.172 4.430 150 HB3 SER 19 HB1 SER 19 3.741 12.936 4.631 151 HG SER 19 HG SER 19 2.661 14.396 5.667 152 H GLY 20 HN GLY 20 5.325 10.326 6.055 153 HA2 GLY 20 HA2 GLY 20 7.939 9.984 4.938 154 HA3 GLY 20 HA1 GLY 20 6.796 8.711 5.333 155 H PHE 21 HN PHE 21 7.498 11.210 2.922 156 HA PHE 21 HA PHE 21 6.131 9.635 0.891 157 HB2 PHE 21 HB2 PHE 21 7.564 12.292 0.784 158 HB3 PHE 21 HB1 PHE 21 6.947 11.479 -0.650 159 HD1 PHE 21 HD1 PHE 21 4.409 10.672 -0.366 160 HD2 PHE 21 HD2 PHE 21 6.228 13.912 1.708 161 HE1 PHE 21 HE1 PHE 21 2.194 11.675 -0.002 162 HE2 PHE 21 HE2 PHE 21 4.014 14.919 2.078 163 HZ PHE 21 HZ PHE 21 1.994 13.799 1.223 164 H ALA 22 HN ALA 22 7.153 7.936 0.165 165 HA ALA 22 HA ALA 22 9.913 8.146 -0.716 166 HB1 ALA 22 HB1 ALA 22 10.609 6.154 0.527 167 HB2 ALA 22 HB2 ALA 22 9.029 6.083 1.309 168 HB3 ALA 22 HB3 ALA 22 10.110 7.443 1.622 169 H TRP 23 HN TRP 23 10.500 5.751 -1.540 170 HA TRP 23 HA TRP 23 8.342 5.116 -3.404 171 HB2 TRP 23 HB2 TRP 23 11.228 4.226 -3.492 172 HB3 TRP 23 HB1 TRP 23 10.024 4.046 -4.763 173 HD1 TRP 23 HD1 TRP 23 12.842 6.149 -3.944 174 HE1 TRP 23 HE1 TRP 23 12.720 8.430 -5.131 175 HE3 TRP 23 HE3 TRP 23 7.940 6.049 -5.387 176 HZ2 TRP 23 HZ2 TRP 23 10.794 9.982 -6.490 177 HZ3 TRP 23 HZ3 TRP 23 7.033 7.976 -6.623 178 HH2 TRP 23 HH2 TRP 23 8.435 9.900 -7.161 179 H ASN 24 HN ASN 24 7.421 4.238 -1.371 180 HA ASN 24 HA ASN 24 8.392 1.809 -0.270 181 HB2 ASN 24 HB2 ASN 24 5.562 2.880 -0.194 182 HB3 ASN 24 HB1 ASN 24 6.257 1.676 0.887 183 HD21 ASN 24 HD21 ASN 24 5.026 4.147 1.613 184 HD22 ASN 24 HD22 ASN 24 6.222 5.082 2.438 185 H VAL 25 HN VAL 25 8.402 -0.100 -1.209 186 HA VAL 25 HA VAL 25 6.420 -0.627 -3.320 187 HB VAL 25 HB VAL 25 9.091 -1.981 -2.905 188 HG11 VAL 25 HG11 VAL 25 7.125 -2.191 -5.183 189 HG12 VAL 25 HG12 VAL 25 7.413 -3.422 -3.954 190 HG13 VAL 25 HG13 VAL 25 8.693 -2.991 -5.086 191 HG21 VAL 25 HG21 VAL 25 9.803 -0.776 -4.920 192 HG22 VAL 25 HG22 VAL 25 9.388 0.329 -3.610 193 HG23 VAL 25 HG23 VAL 25 8.262 0.083 -4.945 194 H CYS 26 HN CYS 26 4.886 -2.019 -2.865 195 HA CYS 26 HA CYS 26 5.246 -3.846 -0.597 196 HB2 CYS 26 HB2 CYS 26 2.691 -2.905 -1.913 197 HB3 CYS 26 HB1 CYS 26 2.801 -3.937 -0.490 198 H VAL 27 HN VAL 27 5.628 -5.889 -1.062 199 HA VAL 27 HA VAL 27 4.609 -6.955 -3.617 200 HB VAL 27 HB VAL 27 6.509 -8.544 -3.603 201 HG11 VAL 27 HG11 VAL 27 6.655 -6.493 -4.912 202 HG12 VAL 27 HG12 VAL 27 8.236 -6.946 -4.277 203 HG13 VAL 27 HG13 VAL 27 7.324 -5.640 -3.521 204 HG21 VAL 27 HG21 VAL 27 7.507 -6.885 -1.290 205 HG22 VAL 27 HG22 VAL 27 8.428 -8.131 -2.131 206 HG23 VAL 27 HG23 VAL 27 6.984 -8.567 -1.217 207 H TYR 28 HN TYR 28 4.169 -9.310 -3.570 208 HA TYR 28 HA TYR 28 3.002 -9.999 -0.969 209 HB2 TYR 28 HB2 TYR 28 2.248 -10.995 -3.724 210 HB3 TYR 28 HB1 TYR 28 1.429 -11.390 -2.222 211 HD1 TYR 28 HD1 TYR 28 1.697 -9.048 -4.927 212 HD2 TYR 28 HD2 TYR 28 0.270 -9.536 -0.950 213 HE1 TYR 28 HE1 TYR 28 0.255 -7.086 -5.215 214 HE2 TYR 28 HE2 TYR 28 -1.184 -7.573 -1.228 215 HH TYR 28 HH TYR 28 -1.197 -5.481 -2.669 216 H ARG 29 HN ARG 29 4.843 -10.960 -0.100 217 HA ARG 29 HA ARG 29 6.013 -13.229 -1.478 218 HB2 ARG 29 HB2 ARG 29 7.423 -13.430 0.597 219 HB3 ARG 29 HB1 ARG 29 7.588 -11.910 -0.268 220 HG2 ARG 29 HG2 ARG 29 6.129 -10.823 1.365 221 HG3 ARG 29 HG1 ARG 29 5.966 -12.351 2.231 222 HD2 ARG 29 HD2 ARG 29 8.573 -10.911 1.748 223 HD3 ARG 29 HD1 ARG 29 7.640 -10.822 3.240 224 HE ARG 29 HE ARG 29 8.072 -13.509 2.763 225 HH11 ARG 29 HH11 ARG 29 10.076 -10.685 3.298 226 HH12 ARG 29 HH12 ARG 29 11.339 -11.574 4.084 227 HH21 ARG 29 HH21 ARG 29 9.736 -14.679 3.796 228 HH22 ARG 29 HH22 ARG 29 11.153 -13.845 4.351 229 H ASN 30 HN ASN 30 5.017 -15.071 -1.489 230 HA ASN 30 HA ASN 30 3.721 -16.846 -0.956 231 HB2 ASN 30 HB2 ASN 30 5.338 -16.991 0.978 232 HB3 ASN 30 HB1 ASN 30 4.169 -16.098 1.945 233 HD21 ASN 30 HD21 ASN 30 3.853 -17.759 3.390 234 HD22 ASN 30 HD22 ASN 30 3.021 -19.218 2.979 235 H GLY 31 HN GLY 31 2.514 -14.357 -1.497 236 HA2 GLY 31 HA2 GLY 31 0.313 -13.668 -1.665 237 HA3 GLY 31 HA1 GLY 31 -0.134 -14.938 -0.537 238 H VAL 32 HN VAL 32 2.360 -13.104 0.752 239 HA VAL 32 HA VAL 32 0.420 -11.594 2.368 240 HB VAL 32 HB VAL 32 3.236 -12.385 3.141 241 HG11 VAL 32 HG11 VAL 32 0.988 -11.176 4.746 242 HG12 VAL 32 HG12 VAL 32 2.480 -10.371 4.258 243 HG13 VAL 32 HG13 VAL 32 2.534 -11.715 5.398 244 HG21 VAL 32 HG21 VAL 32 0.604 -13.604 3.971 245 HG22 VAL 32 HG22 VAL 32 2.183 -14.017 4.637 246 HG23 VAL 32 HG23 VAL 32 1.822 -14.358 2.945 247 H ARG 33 HN ARG 33 0.421 -9.472 2.189 248 HA ARG 33 HA ARG 33 2.211 -8.133 0.422 249 HB2 ARG 33 HB2 ARG 33 -0.196 -7.531 0.737 250 HB3 ARG 33 HB1 ARG 33 0.206 -6.929 2.339 251 HG2 ARG 33 HG2 ARG 33 1.855 -5.386 1.178 252 HG3 ARG 33 HG1 ARG 33 1.053 -5.840 -0.325 253 HD2 ARG 33 HD2 ARG 33 -0.227 -4.544 2.077 254 HD3 ARG 33 HD1 ARG 33 0.129 -3.770 0.537 255 HE ARG 33 HE ARG 33 -1.611 -6.066 0.342 256 HH11 ARG 33 HH11 ARG 33 -1.430 -2.608 0.829 257 HH12 ARG 33 HH12 ARG 33 -3.067 -2.318 0.337 258 HH21 ARG 33 HH21 ARG 33 -3.773 -5.702 -0.309 259 HH22 ARG 33 HH22 ARG 33 -4.402 -4.083 -0.315 260 H VAL 34 HN VAL 34 4.206 -7.547 0.944 261 HA VAL 34 HA VAL 34 4.630 -6.356 3.605 262 HB VAL 34 HB VAL 34 5.824 -8.502 3.376 263 HG11 VAL 34 HG11 VAL 34 7.744 -8.672 1.864 264 HG12 VAL 34 HG12 VAL 34 7.287 -7.130 1.140 265 HG13 VAL 34 HG13 VAL 34 6.215 -8.522 0.999 266 HG21 VAL 34 HG21 VAL 34 8.025 -7.690 4.080 267 HG22 VAL 34 HG22 VAL 34 6.715 -6.790 4.842 268 HG23 VAL 34 HG23 VAL 34 7.607 -6.080 3.496 269 H CYS 35 HN CYS 35 5.650 -4.390 3.667 270 HA CYS 35 HA CYS 35 6.164 -3.177 1.037 271 HB2 CYS 35 HB2 CYS 35 5.059 -1.850 3.517 272 HB3 CYS 35 HB1 CYS 35 5.352 -1.062 1.971 273 H HIS 36 HN HIS 36 8.280 -2.912 0.774 274 HA HIS 36 HA HIS 36 9.901 -2.086 3.064 275 HB2 HIS 36 HB2 HIS 36 11.859 -2.457 1.610 276 HB3 HIS 36 HB1 HIS 36 10.858 -3.891 1.738 277 HD1 HIS 36 HD1 HIS 36 9.913 -4.853 -0.397 278 HD2 HIS 36 HD2 HIS 36 11.819 -1.204 -0.964 279 HE1 HIS 36 HE1 HIS 36 10.146 -4.593 -2.885 280 HE2 HIS 36 HE2 HIS 36 11.441 -2.453 -3.198 281 H ARG 37 HN ARG 37 10.592 -0.054 3.333 282 HA ARG 37 HA ARG 37 9.516 1.901 1.464 283 HB2 ARG 37 HB2 ARG 37 10.758 2.364 4.179 284 HB3 ARG 37 HB1 ARG 37 9.870 3.539 3.221 285 HG2 ARG 37 HG2 ARG 37 7.924 1.836 3.385 286 HG3 ARG 37 HG1 ARG 37 8.846 1.182 4.740 287 HD2 ARG 37 HD2 ARG 37 7.835 4.007 4.433 288 HD3 ARG 37 HD1 ARG 37 7.224 2.787 5.546 289 HE ARG 37 HE ARG 37 9.760 2.955 6.334 290 HH11 ARG 37 HH11 ARG 37 7.459 5.475 5.552 291 HH12 ARG 37 HH12 ARG 37 8.139 6.620 6.663 292 HH21 ARG 37 HH21 ARG 37 10.662 4.472 7.803 293 HH22 ARG 37 HH22 ARG 37 9.957 6.052 7.938 294 H ARG 38 HN ARG 38 10.841 2.326 -0.188 295 HA ARG 38 HA ARG 38 13.695 2.568 0.241 296 HB2 ARG 38 HB2 ARG 38 13.062 1.577 -1.843 297 HB3 ARG 38 HB1 ARG 38 11.948 2.885 -2.201 298 HG2 ARG 38 HG2 ARG 38 13.910 3.102 -3.572 299 HG3 ARG 38 HG1 ARG 38 13.864 4.427 -2.411 300 HD2 ARG 38 HD2 ARG 38 16.113 3.609 -2.543 301 HD3 ARG 38 HD1 ARG 38 15.444 3.148 -0.978 302 HE ARG 38 HE ARG 38 14.987 1.022 -2.691 303 HH11 ARG 38 HH11 ARG 38 17.775 2.729 -1.402 304 HH12 ARG 38 HH12 ARG 38 18.803 1.331 -1.467 305 HH21 ARG 38 HH21 ARG 38 16.360 -0.799 -2.782 306 HH22 ARG 38 HH22 ARG 38 18.007 -0.661 -2.254 307 H ALA 39 HN ALA 39 14.277 4.312 1.325 308 HA ALA 39 HA ALA 39 13.443 6.923 0.266 309 HB1 ALA 39 HB1 ALA 39 13.781 6.229 3.186 310 HB2 ALA 39 HB2 ALA 39 12.250 6.541 2.367 311 HB3 ALA 39 HB3 ALA 39 13.435 7.835 2.544 312 H ASN 40 HN ASN 40 15.825 4.779 0.833 313 HA ASN 40 HA ASN 40 17.915 6.591 0.180 314 HB2 ASN 40 HB2 ASN 40 17.656 6.952 2.675 315 HB3 ASN 40 HB1 ASN 40 18.111 5.269 2.899 316 HD21 ASN 40 HD21 ASN 40 19.416 7.661 3.848 317 HD22 ASN 40 HD22 ASN 40 21.026 7.626 3.216 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 22.493 -4.978 -2.742 2 H2 ARG 1 HT2 ARG 1 21.823 -5.625 -1.331 3 H3 ARG 1 HT3 ARG 1 22.538 -6.646 -2.470 4 HA ARG 1 HA ARG 1 23.983 -6.346 -0.584 5 HB2 ARG 1 HB2 ARG 1 24.864 -5.070 -3.170 6 HB3 ARG 1 HB1 ARG 1 25.971 -5.379 -1.845 7 HG2 ARG 1 HG2 ARG 1 24.325 -7.528 -3.150 8 HG3 ARG 1 HG1 ARG 1 25.953 -7.092 -3.672 9 HD2 ARG 1 HD2 ARG 1 25.179 -8.044 -0.916 10 HD3 ARG 1 HD1 ARG 1 25.974 -9.014 -2.155 11 HE ARG 1 HE ARG 1 27.588 -6.818 -1.813 12 HH11 ARG 1 HH11 ARG 1 26.364 -9.380 0.229 13 HH12 ARG 1 HH12 ARG 1 27.737 -9.364 1.290 14 HH21 ARG 1 HH21 ARG 1 29.398 -6.786 -0.418 15 HH22 ARG 1 HH22 ARG 1 29.461 -7.883 0.927 16 H VAL 2 HN VAL 2 22.683 -4.817 0.762 17 HA VAL 2 HA VAL 2 24.301 -2.439 1.143 18 HB VAL 2 HB VAL 2 22.515 -1.557 -0.223 19 HG11 VAL 2 HG11 VAL 2 20.813 -3.240 0.153 20 HG12 VAL 2 HG12 VAL 2 20.170 -1.628 0.462 21 HG13 VAL 2 HG13 VAL 2 20.598 -2.678 1.811 22 HG21 VAL 2 HG21 VAL 2 23.343 -0.108 1.522 23 HG22 VAL 2 HG22 VAL 2 22.188 -0.784 2.671 24 HG23 VAL 2 HG23 VAL 2 21.614 0.157 1.295 25 H GLN 3 HN GLN 3 25.064 -3.708 2.864 26 HA GLN 3 HA GLN 3 23.253 -4.477 4.987 27 HB2 GLN 3 HB2 GLN 3 25.087 -5.963 4.429 28 HB3 GLN 3 HB1 GLN 3 26.256 -4.681 4.711 29 HG2 GLN 3 HG2 GLN 3 25.755 -4.672 7.056 30 HG3 GLN 3 HG1 GLN 3 24.449 -5.829 6.820 31 HE21 GLN 3 HE21 GLN 3 25.397 -7.265 8.268 32 HE22 GLN 3 HE22 GLN 3 26.787 -8.200 7.844 33 H GLY 4 HN GLY 4 23.074 -3.524 6.971 34 HA2 GLY 4 HA2 GLY 4 23.458 -1.996 8.671 35 HA3 GLY 4 HA1 GLY 4 24.827 -1.373 7.762 36 H ARG 5 HN ARG 5 21.669 -1.693 6.330 37 HA ARG 5 HA ARG 5 21.651 1.133 5.743 38 HB2 ARG 5 HB2 ARG 5 20.058 0.684 4.147 39 HB3 ARG 5 HB1 ARG 5 20.839 -0.883 4.246 40 HG2 ARG 5 HG2 ARG 5 18.279 -0.127 5.647 41 HG3 ARG 5 HG1 ARG 5 18.388 -1.030 4.139 42 HD2 ARG 5 HD2 ARG 5 19.341 -1.886 6.882 43 HD3 ARG 5 HD1 ARG 5 18.022 -2.574 5.926 44 HE ARG 5 HE ARG 5 20.445 -2.737 4.464 45 HH11 ARG 5 HH11 ARG 5 18.773 -4.224 7.161 46 HH12 ARG 5 HH12 ARG 5 19.554 -5.755 6.962 47 HH21 ARG 5 HH21 ARG 5 21.435 -4.751 4.174 48 HH22 ARG 5 HH22 ARG 5 21.059 -6.070 5.242 49 H TRP 6 HN TRP 6 20.490 -0.879 8.173 50 HA TRP 6 HA TRP 6 18.208 0.782 8.833 51 HB2 TRP 6 HB2 TRP 6 19.303 -1.780 9.962 52 HB3 TRP 6 HB1 TRP 6 18.034 -0.887 10.757 53 HD1 TRP 6 HD1 TRP 6 18.208 -3.801 8.872 54 HE1 TRP 6 HE1 TRP 6 16.136 -4.214 7.396 55 HE3 TRP 6 HE3 TRP 6 16.220 0.916 8.908 56 HZ2 TRP 6 HZ2 TRP 6 13.958 -2.739 6.390 57 HZ3 TRP 6 HZ3 TRP 6 14.140 1.326 7.663 58 HH2 TRP 6 HH2 TRP 6 13.032 -0.466 6.430 59 H LYS 7 HN LYS 7 21.096 1.649 9.021 60 HA LYS 7 HA LYS 7 21.647 2.151 11.758 61 HB2 LYS 7 HB2 LYS 7 23.237 3.824 10.930 62 HB3 LYS 7 HB1 LYS 7 23.390 2.318 10.038 63 HG2 LYS 7 HG2 LYS 7 22.177 3.248 8.172 64 HG3 LYS 7 HG1 LYS 7 21.868 4.732 9.074 65 HD2 LYS 7 HD2 LYS 7 24.609 3.710 8.332 66 HD3 LYS 7 HD1 LYS 7 23.717 4.934 7.429 67 HE2 LYS 7 HE2 LYS 7 24.582 5.154 10.310 68 HE3 LYS 7 HE1 LYS 7 25.370 5.933 8.943 69 HZ1 LYS 7 HZ1 LYS 7 22.593 6.439 9.873 70 HZ2 LYS 7 HZ2 LYS 7 23.309 7.154 8.523 71 HZ3 LYS 7 HZ3 LYS 7 23.916 7.473 10.068 72 H VAL 8 HN VAL 8 19.468 3.458 9.511 73 HA VAL 8 HA VAL 8 19.131 6.059 10.566 74 HB VAL 8 HB VAL 8 17.135 4.376 9.038 75 HG11 VAL 8 HG11 VAL 8 16.144 6.330 10.118 76 HG12 VAL 8 HG12 VAL 8 16.163 6.508 8.365 77 HG13 VAL 8 HG13 VAL 8 17.345 7.367 9.351 78 HG21 VAL 8 HG21 VAL 8 19.238 4.533 7.824 79 HG22 VAL 8 HG22 VAL 8 19.231 6.288 8.012 80 HG23 VAL 8 HG23 VAL 8 17.992 5.499 7.033 81 H ARG 9 HN ARG 9 18.421 6.504 12.518 82 HA ARG 9 HA ARG 9 17.133 4.566 14.177 83 HB2 ARG 9 HB2 ARG 9 18.713 6.285 15.033 84 HB3 ARG 9 HB1 ARG 9 17.530 7.527 14.656 85 HG2 ARG 9 HG2 ARG 9 15.967 6.495 16.246 86 HG3 ARG 9 HG1 ARG 9 17.195 5.295 16.646 87 HD2 ARG 9 HD2 ARG 9 18.659 7.000 17.493 88 HD3 ARG 9 HD1 ARG 9 17.561 8.268 16.953 89 HE ARG 9 HE ARG 9 16.160 6.587 18.688 90 HH11 ARG 9 HH11 ARG 9 18.815 8.855 18.766 91 HH12 ARG 9 HH12 ARG 9 18.549 9.314 20.417 92 HH21 ARG 9 HH21 ARG 9 15.785 7.200 20.863 93 HH22 ARG 9 HH22 ARG 9 16.821 8.372 21.611 94 H ALA 10 HN ALA 10 16.037 6.814 11.897 95 HA ALA 10 HA ALA 10 13.468 7.346 12.976 96 HB1 ALA 10 HB1 ALA 10 14.517 8.756 11.257 97 HB2 ALA 10 HB2 ALA 10 12.910 8.208 10.785 98 HB3 ALA 10 HB3 ALA 10 14.340 7.445 10.093 99 H SER 11 HN SER 11 14.741 4.480 12.065 100 HA SER 11 HA SER 11 12.589 3.314 10.607 101 HB2 SER 11 HB2 SER 11 13.711 1.148 11.330 102 HB3 SER 11 HB1 SER 11 14.725 2.271 10.425 103 HG SER 11 HG SER 11 15.923 2.612 12.146 104 H PHE 12 HN PHE 12 12.978 4.229 13.826 105 HA PHE 12 HA PHE 12 11.293 2.324 15.102 106 HB2 PHE 12 HB2 PHE 12 12.904 3.801 16.303 107 HB3 PHE 12 HB1 PHE 12 11.900 5.186 15.899 108 HD1 PHE 12 HD1 PHE 12 9.808 5.581 17.039 109 HD2 PHE 12 HD2 PHE 12 12.210 2.196 17.975 110 HE1 PHE 12 HE1 PHE 12 8.513 5.240 19.102 111 HE2 PHE 12 HE2 PHE 12 10.918 1.846 20.038 112 HZ PHE 12 HZ PHE 12 9.067 3.369 20.606 113 H PHE 13 HN PHE 13 10.784 5.192 13.230 114 HA PHE 13 HA PHE 13 8.087 5.674 14.041 115 HB2 PHE 13 HB2 PHE 13 9.676 6.612 11.643 116 HB3 PHE 13 HB1 PHE 13 8.049 7.161 12.019 117 HD1 PHE 13 HD1 PHE 13 7.646 8.502 14.070 118 HD2 PHE 13 HD2 PHE 13 11.560 7.491 12.755 119 HE1 PHE 13 HE1 PHE 13 8.580 10.280 15.493 120 HE2 PHE 13 HE2 PHE 13 12.504 9.265 14.175 121 HZ PHE 13 HZ PHE 13 11.011 10.662 15.547 122 H LYS 14 HN LYS 14 6.209 5.339 12.790 123 HA LYS 14 HA LYS 14 6.251 2.831 11.344 124 HB2 LYS 14 HB2 LYS 14 3.771 3.081 11.343 125 HB3 LYS 14 HB1 LYS 14 4.478 3.122 12.951 126 HG2 LYS 14 HG2 LYS 14 4.288 5.547 12.986 127 HG3 LYS 14 HG1 LYS 14 3.609 5.526 11.358 128 HD2 LYS 14 HD2 LYS 14 1.679 4.308 12.126 129 HD3 LYS 14 HD1 LYS 14 2.384 4.130 13.735 130 HE2 LYS 14 HE2 LYS 14 1.664 6.755 12.437 131 HE3 LYS 14 HE1 LYS 14 0.675 5.911 13.627 132 HZ1 LYS 14 HZ1 LYS 14 2.005 7.647 14.649 133 HZ2 LYS 14 HZ2 LYS 14 3.424 6.936 14.083 134 HZ3 LYS 14 HZ3 LYS 14 2.475 6.128 15.225 135 H GLY 15 HN GLY 15 7.015 5.778 10.435 136 HA2 GLY 15 HA2 GLY 15 7.027 5.425 7.746 137 HA3 GLY 15 HA1 GLY 15 5.437 6.108 8.062 138 H GLY 16 HN GLY 16 6.544 7.747 6.570 139 HA2 GLY 16 HA2 GLY 16 7.966 9.727 8.239 140 HA3 GLY 16 HA1 GLY 16 8.187 9.572 6.500 141 H GLY 17 HN GLY 17 5.087 9.319 8.070 142 HA2 GLY 17 HA2 GLY 17 3.433 11.013 8.265 143 HA3 GLY 17 HA1 GLY 17 4.344 11.994 7.126 144 H GLY 18 HN GLY 18 3.842 11.913 5.015 145 HA2 GLY 18 HA2 GLY 18 2.128 9.718 4.070 146 HA3 GLY 18 HA1 GLY 18 1.610 11.381 3.833 147 H SER 19 HN SER 19 4.976 10.617 3.672 148 HA SER 19 HA SER 19 4.918 11.230 0.807 149 HB2 SER 19 HB2 SER 19 6.312 12.679 2.247 150 HB3 SER 19 HB1 SER 19 7.251 11.271 2.740 151 HG SER 19 HG SER 19 6.969 11.923 0.007 152 H GLY 20 HN GLY 20 5.311 9.695 -0.649 153 HA2 GLY 20 HA2 GLY 20 6.176 7.060 0.183 154 HA3 GLY 20 HA1 GLY 20 5.734 7.552 -1.449 155 H PHE 21 HN PHE 21 8.246 7.902 0.995 156 HA PHE 21 HA PHE 21 10.133 9.057 -0.808 157 HB2 PHE 21 HB2 PHE 21 10.094 9.580 1.597 158 HB3 PHE 21 HB1 PHE 21 10.522 7.914 1.965 159 HD1 PHE 21 HD1 PHE 21 12.750 7.310 2.171 160 HD2 PHE 21 HD2 PHE 21 11.745 10.913 0.143 161 HE1 PHE 21 HE1 PHE 21 15.133 7.902 2.051 162 HE2 PHE 21 HE2 PHE 21 14.127 11.511 0.021 163 HZ PHE 21 HZ PHE 21 15.822 10.005 0.975 164 H ALA 22 HN ALA 22 11.341 8.051 -2.214 165 HA ALA 22 HA ALA 22 12.670 6.552 -3.257 166 HB1 ALA 22 HB1 ALA 22 12.966 5.366 -0.506 167 HB2 ALA 22 HB2 ALA 22 13.970 6.634 -1.208 168 HB3 ALA 22 HB3 ALA 22 13.991 5.011 -1.898 169 H TRP 23 HN TRP 23 9.932 6.094 -3.374 170 HA TRP 23 HA TRP 23 8.443 4.598 -4.170 171 HB2 TRP 23 HB2 TRP 23 10.926 2.941 -4.597 172 HB3 TRP 23 HB1 TRP 23 9.333 2.501 -5.191 173 HD1 TRP 23 HD1 TRP 23 8.222 4.703 -6.764 174 HE1 TRP 23 HE1 TRP 23 9.424 5.851 -8.728 175 HE3 TRP 23 HE3 TRP 23 13.039 3.450 -5.601 176 HZ2 TRP 23 HZ2 TRP 23 12.066 6.175 -9.658 177 HZ3 TRP 23 HZ3 TRP 23 14.843 4.213 -7.086 178 HH2 TRP 23 HH2 TRP 23 14.365 5.547 -9.071 179 H ASN 24 HN ASN 24 7.360 4.303 -2.191 180 HA ASN 24 HA ASN 24 8.080 1.932 -0.656 181 HB2 ASN 24 HB2 ASN 24 5.666 3.731 -0.307 182 HB3 ASN 24 HB1 ASN 24 6.234 2.500 0.821 183 HD21 ASN 24 HD21 ASN 24 9.064 3.309 0.215 184 HD22 ASN 24 HD22 ASN 24 9.309 4.765 1.113 185 H VAL 25 HN VAL 25 7.724 0.182 -1.851 186 HA VAL 25 HA VAL 25 5.120 -0.084 -3.167 187 HB VAL 25 HB VAL 25 6.289 -1.800 -4.600 188 HG11 VAL 25 HG11 VAL 25 7.244 1.052 -4.749 189 HG12 VAL 25 HG12 VAL 25 5.745 0.420 -5.429 190 HG13 VAL 25 HG13 VAL 25 7.299 -0.114 -6.069 191 HG21 VAL 25 HG21 VAL 25 8.750 -0.523 -3.424 192 HG22 VAL 25 HG22 VAL 25 8.720 -1.652 -4.779 193 HG23 VAL 25 HG23 VAL 25 8.228 -2.189 -3.172 194 H CYS 26 HN CYS 26 4.092 -2.100 -3.136 195 HA CYS 26 HA CYS 26 4.858 -3.773 -0.839 196 HB2 CYS 26 HB2 CYS 26 2.050 -3.143 -1.772 197 HB3 CYS 26 HB1 CYS 26 2.501 -4.070 -0.344 198 H VAL 27 HN VAL 27 5.492 -5.694 -1.525 199 HA VAL 27 HA VAL 27 4.134 -6.862 -3.862 200 HB VAL 27 HB VAL 27 6.171 -8.348 -4.039 201 HG11 VAL 27 HG11 VAL 27 6.564 -5.381 -4.408 202 HG12 VAL 27 HG12 VAL 27 5.786 -6.479 -5.548 203 HG13 VAL 27 HG13 VAL 27 7.506 -6.651 -5.192 204 HG21 VAL 27 HG21 VAL 27 8.248 -7.509 -3.018 205 HG22 VAL 27 HG22 VAL 27 7.074 -8.024 -1.809 206 HG23 VAL 27 HG23 VAL 27 7.313 -6.307 -2.131 207 H TYR 28 HN TYR 28 3.382 -8.927 -3.770 208 HA TYR 28 HA TYR 28 2.941 -9.938 -1.077 209 HB2 TYR 28 HB2 TYR 28 1.622 -10.343 -3.716 210 HB3 TYR 28 HB1 TYR 28 1.500 -11.633 -2.526 211 HD1 TYR 28 HD1 TYR 28 0.055 -11.455 -0.676 212 HD2 TYR 28 HD2 TYR 28 0.727 -8.058 -3.144 213 HE1 TYR 28 HE1 TYR 28 -1.786 -10.288 0.444 214 HE2 TYR 28 HE2 TYR 28 -1.119 -6.880 -2.032 215 HH TYR 28 HH TYR 28 -2.538 -8.017 0.862 216 H ARG 29 HN ARG 29 4.685 -11.009 -0.398 217 HA ARG 29 HA ARG 29 5.750 -13.159 -2.094 218 HB2 ARG 29 HB2 ARG 29 6.818 -11.933 0.457 219 HB3 ARG 29 HB1 ARG 29 7.564 -13.284 -0.381 220 HG2 ARG 29 HG2 ARG 29 7.906 -11.862 -2.349 221 HG3 ARG 29 HG1 ARG 29 7.195 -10.503 -1.477 222 HD2 ARG 29 HD2 ARG 29 8.964 -10.659 0.204 223 HD3 ARG 29 HD1 ARG 29 9.667 -12.024 -0.662 224 HE ARG 29 HE ARG 29 9.537 -9.984 -2.500 225 HH11 ARG 29 HH11 ARG 29 11.052 -10.483 0.615 226 HH12 ARG 29 HH12 ARG 29 12.372 -9.408 0.290 227 HH21 ARG 29 HH21 ARG 29 11.281 -8.576 -2.941 228 HH22 ARG 29 HH22 ARG 29 12.506 -8.327 -1.739 229 H ASN 30 HN ASN 30 4.804 -15.055 -1.827 230 HA ASN 30 HA ASN 30 3.754 -16.850 -0.917 231 HB2 ASN 30 HB2 ASN 30 5.029 -15.849 1.639 232 HB3 ASN 30 HB1 ASN 30 4.219 -17.402 1.470 233 HD21 ASN 30 HD21 ASN 30 7.024 -15.541 0.721 234 HD22 ASN 30 HD22 ASN 30 7.984 -16.844 0.111 235 H GLY 31 HN GLY 31 2.361 -14.353 -1.182 236 HA2 GLY 31 HA2 GLY 31 0.152 -13.759 -0.796 237 HA3 GLY 31 HA1 GLY 31 0.071 -14.985 0.460 238 H VAL 32 HN VAL 32 2.769 -13.108 0.975 239 HA VAL 32 HA VAL 32 1.349 -11.556 3.015 240 HB VAL 32 HB VAL 32 4.295 -12.182 2.781 241 HG11 VAL 32 HG11 VAL 32 2.768 -10.786 4.977 242 HG12 VAL 32 HG12 VAL 32 3.940 -10.046 3.886 243 HG13 VAL 32 HG13 VAL 32 4.466 -11.261 5.052 244 HG21 VAL 32 HG21 VAL 32 3.901 -13.621 4.737 245 HG22 VAL 32 HG22 VAL 32 2.982 -14.150 3.329 246 HG23 VAL 32 HG23 VAL 32 2.177 -13.273 4.630 247 H ARG 33 HN ARG 33 1.018 -9.481 2.701 248 HA ARG 33 HA ARG 33 2.180 -8.059 0.496 249 HB2 ARG 33 HB2 ARG 33 -0.141 -7.679 1.188 250 HB3 ARG 33 HB1 ARG 33 0.407 -7.128 2.764 251 HG2 ARG 33 HG2 ARG 33 1.553 -5.236 1.663 252 HG3 ARG 33 HG1 ARG 33 0.892 -5.774 0.118 253 HD2 ARG 33 HD2 ARG 33 -0.448 -3.970 1.111 254 HD3 ARG 33 HD1 ARG 33 -1.371 -5.464 0.952 255 HE ARG 33 HE ARG 33 -0.172 -5.297 3.518 256 HH11 ARG 33 HH11 ARG 33 -2.813 -3.960 1.638 257 HH12 ARG 33 HH12 ARG 33 -3.791 -3.626 3.031 258 HH21 ARG 33 HH21 ARG 33 -1.462 -4.870 5.338 259 HH22 ARG 33 HH22 ARG 33 -3.034 -4.164 5.135 260 H VAL 34 HN VAL 34 4.350 -7.744 0.777 261 HA VAL 34 HA VAL 34 5.247 -6.535 3.297 262 HB VAL 34 HB VAL 34 6.966 -7.635 1.067 263 HG11 VAL 34 HG11 VAL 34 8.728 -7.644 2.776 264 HG12 VAL 34 HG12 VAL 34 7.608 -6.913 3.926 265 HG13 VAL 34 HG13 VAL 34 8.101 -6.020 2.487 266 HG21 VAL 34 HG21 VAL 34 5.581 -9.413 2.012 267 HG22 VAL 34 HG22 VAL 34 6.117 -8.977 3.634 268 HG23 VAL 34 HG23 VAL 34 7.273 -9.616 2.467 269 H CYS 35 HN CYS 35 5.016 -4.383 3.204 270 HA CYS 35 HA CYS 35 5.757 -2.936 0.782 271 HB2 CYS 35 HB2 CYS 35 4.747 -1.849 3.420 272 HB3 CYS 35 HB1 CYS 35 4.895 -0.958 1.906 273 H HIS 36 HN HIS 36 7.915 -2.759 0.549 274 HA HIS 36 HA HIS 36 9.521 -2.330 2.955 275 HB2 HIS 36 HB2 HIS 36 11.485 -2.864 1.546 276 HB3 HIS 36 HB1 HIS 36 10.308 -4.165 1.599 277 HD1 HIS 36 HD1 HIS 36 9.246 -4.884 -0.596 278 HD2 HIS 36 HD2 HIS 36 11.756 -1.590 -0.985 279 HE1 HIS 36 HE1 HIS 36 9.583 -4.581 -3.068 280 HE2 HIS 36 HE2 HIS 36 11.218 -2.678 -3.274 281 H ARG 37 HN ARG 37 10.411 -0.469 3.438 282 HA ARG 37 HA ARG 37 10.267 1.686 1.437 283 HB2 ARG 37 HB2 ARG 37 10.140 1.825 4.455 284 HB3 ARG 37 HB1 ARG 37 10.167 3.224 3.391 285 HG2 ARG 37 HG2 ARG 37 8.057 2.609 2.430 286 HG3 ARG 37 HG1 ARG 37 8.050 1.088 3.323 287 HD2 ARG 37 HD2 ARG 37 8.093 3.792 4.641 288 HD3 ARG 37 HD1 ARG 37 6.610 2.912 4.279 289 HE ARG 37 HE ARG 37 8.520 1.385 5.795 290 HH11 ARG 37 HH11 ARG 37 5.910 3.701 5.966 291 HH12 ARG 37 HH12 ARG 37 5.460 3.273 7.588 292 HH21 ARG 37 HH21 ARG 37 7.925 0.797 7.926 293 HH22 ARG 37 HH22 ARG 37 6.602 1.609 8.700 294 H ARG 38 HN ARG 38 12.031 2.964 1.083 295 HA ARG 38 HA ARG 38 14.555 1.929 2.154 296 HB2 ARG 38 HB2 ARG 38 14.018 3.710 -0.227 297 HB3 ARG 38 HB1 ARG 38 15.597 3.106 0.254 298 HG2 ARG 38 HG2 ARG 38 14.994 0.875 -0.262 299 HG3 ARG 38 HG1 ARG 38 13.296 1.316 -0.467 300 HD2 ARG 38 HD2 ARG 38 13.859 2.664 -2.405 301 HD3 ARG 38 HD1 ARG 38 15.570 2.304 -2.182 302 HE ARG 38 HE ARG 38 15.074 0.001 -2.728 303 HH11 ARG 38 HH11 ARG 38 12.541 2.313 -3.434 304 HH12 ARG 38 HH12 ARG 38 11.839 1.340 -4.688 305 HH21 ARG 38 HH21 ARG 38 14.140 -1.277 -4.374 306 HH22 ARG 38 HH22 ARG 38 12.736 -0.701 -5.214 307 H ALA 39 HN ALA 39 15.182 2.982 3.926 308 HA ALA 39 HA ALA 39 14.643 5.814 4.251 309 HB1 ALA 39 HB1 ALA 39 15.632 5.537 6.468 310 HB2 ALA 39 HB2 ALA 39 16.102 3.888 6.060 311 HB3 ALA 39 HB3 ALA 39 14.395 4.317 6.171 312 H ASN 40 HN ASN 40 15.989 6.105 2.208 313 HA ASN 40 HA ASN 40 18.871 5.970 2.639 314 HB2 ASN 40 HB2 ASN 40 17.296 6.849 0.209 315 HB3 ASN 40 HB1 ASN 40 19.042 6.662 0.277 316 HD21 ASN 40 HD21 ASN 40 18.889 4.242 1.907 317 HD22 ASN 40 HD22 ASN 40 18.366 2.986 0.838 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 -1.053 21.292 -25.872 2 H2 ARG 1 HT2 ARG 1 -1.806 22.365 -26.944 3 H3 ARG 1 HT3 ARG 1 -2.738 21.326 -25.994 4 HA ARG 1 HA ARG 1 -2.032 22.429 -23.994 5 HB2 ARG 1 HB2 ARG 1 -0.527 24.193 -25.939 6 HB3 ARG 1 HB1 ARG 1 -0.802 24.604 -24.253 7 HG2 ARG 1 HG2 ARG 1 0.483 22.690 -23.536 8 HG3 ARG 1 HG1 ARG 1 0.685 22.168 -25.211 9 HD2 ARG 1 HD2 ARG 1 1.690 24.771 -24.065 10 HD3 ARG 1 HD1 ARG 1 2.674 23.333 -24.326 11 HE ARG 1 HE ARG 1 1.595 23.811 -26.768 12 HH11 ARG 1 HH11 ARG 1 3.418 25.783 -24.515 13 HH12 ARG 1 HH12 ARG 1 4.144 26.754 -25.757 14 HH21 ARG 1 HH21 ARG 1 2.562 25.085 -28.401 15 HH22 ARG 1 HH22 ARG 1 3.674 26.344 -27.963 16 H VAL 2 HN VAL 2 -2.567 25.066 -23.712 17 HA VAL 2 HA VAL 2 -4.287 26.541 -23.671 18 HB VAL 2 HB VAL 2 -4.829 25.757 -26.543 19 HG11 VAL 2 HG11 VAL 2 -5.597 28.076 -26.762 20 HG12 VAL 2 HG12 VAL 2 -5.270 28.344 -25.049 21 HG13 VAL 2 HG13 VAL 2 -6.520 27.202 -25.541 22 HG21 VAL 2 HG21 VAL 2 -2.808 27.730 -25.479 23 HG22 VAL 2 HG22 VAL 2 -3.248 27.535 -27.175 24 HG23 VAL 2 HG23 VAL 2 -2.458 26.216 -26.311 25 H GLN 3 HN GLN 3 -4.707 23.971 -22.738 26 HA GLN 3 HA GLN 3 -7.439 23.936 -22.253 27 HB2 GLN 3 HB2 GLN 3 -7.300 23.091 -24.734 28 HB3 GLN 3 HB1 GLN 3 -6.745 21.594 -24.007 29 HG2 GLN 3 HG2 GLN 3 -9.370 22.949 -23.421 30 HG3 GLN 3 HG1 GLN 3 -9.146 21.578 -24.500 31 HE21 GLN 3 HE21 GLN 3 -9.324 22.641 -21.209 32 HE22 GLN 3 HE22 GLN 3 -9.362 21.067 -20.492 33 H GLY 4 HN GLY 4 -6.780 23.571 -20.178 34 HA2 GLY 4 HA2 GLY 4 -4.998 21.391 -19.529 35 HA3 GLY 4 HA1 GLY 4 -5.813 22.449 -18.384 36 H ARG 5 HN ARG 5 -6.023 19.532 -20.259 37 HA ARG 5 HA ARG 5 -8.659 18.790 -19.691 38 HB2 ARG 5 HB2 ARG 5 -7.476 17.555 -21.344 39 HB3 ARG 5 HB1 ARG 5 -6.172 17.171 -20.232 40 HG2 ARG 5 HG2 ARG 5 -8.874 16.182 -19.534 41 HG3 ARG 5 HG1 ARG 5 -8.057 15.422 -20.898 42 HD2 ARG 5 HD2 ARG 5 -6.906 15.727 -18.117 43 HD3 ARG 5 HD1 ARG 5 -7.623 14.250 -18.774 44 HE ARG 5 HE ARG 5 -5.515 15.245 -20.423 45 HH11 ARG 5 HH11 ARG 5 -6.164 13.448 -17.491 46 HH12 ARG 5 HH12 ARG 5 -4.691 12.536 -17.578 47 HH21 ARG 5 HH21 ARG 5 -3.572 14.057 -20.533 48 HH22 ARG 5 HH22 ARG 5 -3.220 12.878 -19.309 49 H TRP 6 HN TRP 6 -5.667 18.235 -17.902 50 HA TRP 6 HA TRP 6 -7.161 17.018 -15.734 51 HB2 TRP 6 HB2 TRP 6 -4.977 16.602 -14.720 52 HB3 TRP 6 HB1 TRP 6 -5.021 16.018 -16.371 53 HD1 TRP 6 HD1 TRP 6 -3.690 19.116 -14.438 54 HE1 TRP 6 HE1 TRP 6 -1.527 19.895 -15.588 55 HE3 TRP 6 HE3 TRP 6 -3.631 15.835 -18.358 56 HZ2 TRP 6 HZ2 TRP 6 0.005 19.207 -17.856 57 HZ3 TRP 6 HZ3 TRP 6 -1.777 15.961 -19.970 58 HH2 TRP 6 HH2 TRP 6 0.002 17.612 -19.723 59 H LYS 7 HN LYS 7 -7.359 17.905 -13.689 60 HA LYS 7 HA LYS 7 -6.958 20.816 -13.619 61 HB2 LYS 7 HB2 LYS 7 -8.786 19.126 -11.905 62 HB3 LYS 7 HB1 LYS 7 -8.706 20.881 -11.924 63 HG2 LYS 7 HG2 LYS 7 -9.599 19.119 -14.198 64 HG3 LYS 7 HG1 LYS 7 -10.636 20.092 -13.159 65 HD2 LYS 7 HD2 LYS 7 -8.499 21.172 -14.997 66 HD3 LYS 7 HD1 LYS 7 -10.227 21.149 -15.344 67 HE2 LYS 7 HE2 LYS 7 -10.601 22.547 -13.333 68 HE3 LYS 7 HE1 LYS 7 -8.855 22.639 -13.112 69 HZ1 LYS 7 HZ1 LYS 7 -8.649 23.743 -15.221 70 HZ2 LYS 7 HZ2 LYS 7 -9.770 24.578 -14.273 71 HZ3 LYS 7 HZ3 LYS 7 -10.302 23.576 -15.526 72 H VAL 8 HN VAL 8 -6.030 17.854 -12.171 73 HA VAL 8 HA VAL 8 -4.840 19.123 -9.846 74 HB VAL 8 HB VAL 8 -4.737 16.239 -10.771 75 HG11 VAL 8 HG11 VAL 8 -3.912 15.740 -8.527 76 HG12 VAL 8 HG12 VAL 8 -3.904 17.459 -8.141 77 HG13 VAL 8 HG13 VAL 8 -2.817 16.828 -9.377 78 HG21 VAL 8 HG21 VAL 8 -6.399 17.566 -8.633 79 HG22 VAL 8 HG22 VAL 8 -6.336 15.833 -8.953 80 HG23 VAL 8 HG23 VAL 8 -6.989 16.932 -10.169 81 H ARG 9 HN ARG 9 -2.904 20.008 -9.950 82 HA ARG 9 HA ARG 9 -1.360 19.960 -12.318 83 HB2 ARG 9 HB2 ARG 9 -1.489 21.874 -10.725 84 HB3 ARG 9 HB1 ARG 9 -0.525 20.945 -9.588 85 HG2 ARG 9 HG2 ARG 9 1.373 21.006 -11.004 86 HG3 ARG 9 HG1 ARG 9 0.426 21.636 -12.354 87 HD2 ARG 9 HD2 ARG 9 0.931 23.076 -9.753 88 HD3 ARG 9 HD1 ARG 9 1.784 23.376 -11.266 89 HE ARG 9 HE ARG 9 -0.890 23.656 -11.852 90 HH11 ARG 9 HH11 ARG 9 1.381 25.165 -9.663 91 HH12 ARG 9 HH12 ARG 9 0.574 26.699 -9.683 92 HH21 ARG 9 HH21 ARG 9 -1.960 25.669 -11.887 93 HH22 ARG 9 HH22 ARG 9 -1.329 26.988 -10.952 94 H ALA 10 HN ALA 10 -1.430 17.855 -9.653 95 HA ALA 10 HA ALA 10 1.212 16.876 -9.721 96 HB1 ALA 10 HB1 ALA 10 -0.371 16.402 -7.891 97 HB2 ALA 10 HB2 ALA 10 0.363 14.939 -8.548 98 HB3 ALA 10 HB3 ALA 10 -1.291 15.367 -8.984 99 H SER 11 HN SER 11 -1.251 16.722 -12.013 100 HA SER 11 HA SER 11 -0.425 14.251 -13.247 101 HB2 SER 11 HB2 SER 11 -2.097 16.452 -14.470 102 HB3 SER 11 HB1 SER 11 -2.049 14.755 -14.945 103 HG SER 11 HG SER 11 -3.268 15.962 -12.722 104 H PHE 12 HN PHE 12 0.478 17.527 -13.286 105 HA PHE 12 HA PHE 12 1.944 17.352 -15.789 106 HB2 PHE 12 HB2 PHE 12 0.834 19.464 -15.278 107 HB3 PHE 12 HB1 PHE 12 1.700 19.581 -13.751 108 HD1 PHE 12 HD1 PHE 12 2.104 19.649 -17.421 109 HD2 PHE 12 HD2 PHE 12 3.854 20.518 -13.643 110 HE1 PHE 12 HE1 PHE 12 3.901 20.899 -18.545 111 HE2 PHE 12 HE2 PHE 12 5.654 21.770 -14.758 112 HZ PHE 12 HZ PHE 12 5.677 21.962 -17.213 113 H PHE 13 HN PHE 13 2.556 17.687 -12.322 114 HA PHE 13 HA PHE 13 5.401 17.485 -12.627 115 HB2 PHE 13 HB2 PHE 13 4.475 18.721 -10.741 116 HB3 PHE 13 HB1 PHE 13 3.646 17.278 -10.169 117 HD1 PHE 13 HD1 PHE 13 4.615 16.117 -8.446 118 HD2 PHE 13 HD2 PHE 13 7.105 18.373 -11.059 119 HE1 PHE 13 HE1 PHE 13 6.576 15.519 -7.087 120 HE2 PHE 13 HE2 PHE 13 9.070 17.779 -9.703 121 HZ PHE 13 HZ PHE 13 8.806 16.351 -7.714 122 H LYS 14 HN LYS 14 5.841 15.595 -13.705 123 HA LYS 14 HA LYS 14 5.167 13.114 -12.276 124 HB2 LYS 14 HB2 LYS 14 4.408 13.313 -14.657 125 HB3 LYS 14 HB1 LYS 14 6.094 13.417 -15.139 126 HG2 LYS 14 HG2 LYS 14 5.310 11.188 -15.499 127 HG3 LYS 14 HG1 LYS 14 6.463 11.174 -14.165 128 HD2 LYS 14 HD2 LYS 14 4.557 11.212 -12.581 129 HD3 LYS 14 HD1 LYS 14 3.455 11.098 -13.954 130 HE2 LYS 14 HE2 LYS 14 5.573 9.083 -13.228 131 HE3 LYS 14 HE1 LYS 14 3.852 8.920 -12.893 132 HZ1 LYS 14 HZ1 LYS 14 4.503 7.702 -14.873 133 HZ2 LYS 14 HZ2 LYS 14 5.062 9.125 -15.594 134 HZ3 LYS 14 HZ3 LYS 14 3.417 8.939 -15.261 135 H GLY 15 HN GLY 15 7.522 15.321 -12.570 136 HA2 GLY 15 HA2 GLY 15 9.744 15.376 -12.008 137 HA3 GLY 15 HA1 GLY 15 9.494 13.797 -11.278 138 H GLY 16 HN GLY 16 10.560 12.149 -12.134 139 HA2 GLY 16 HA2 GLY 16 11.729 12.523 -14.815 140 HA3 GLY 16 HA1 GLY 16 12.402 11.498 -13.556 141 H GLY 17 HN GLY 17 9.030 11.292 -13.775 142 HA2 GLY 17 HA2 GLY 17 7.661 9.846 -15.048 143 HA3 GLY 17 HA1 GLY 17 9.107 9.093 -15.706 144 H GLY 18 HN GLY 18 9.832 7.251 -14.818 145 HA2 GLY 18 HA2 GLY 18 8.303 6.043 -12.689 146 HA3 GLY 18 HA1 GLY 18 9.661 5.321 -13.542 147 H SER 19 HN SER 19 11.362 7.681 -13.003 148 HA SER 19 HA SER 19 12.369 6.831 -10.460 149 HB2 SER 19 HB2 SER 19 14.064 8.663 -10.871 150 HB3 SER 19 HB1 SER 19 13.977 7.439 -12.136 151 HG SER 19 HG SER 19 12.892 10.059 -12.156 152 H GLY 20 HN GLY 20 11.920 7.650 -8.522 153 HA2 GLY 20 HA2 GLY 20 11.442 9.372 -6.973 154 HA3 GLY 20 HA1 GLY 20 10.877 10.377 -8.300 155 H PHE 21 HN PHE 21 9.550 7.506 -8.924 156 HA PHE 21 HA PHE 21 7.086 8.177 -7.471 157 HB2 PHE 21 HB2 PHE 21 6.926 8.208 -9.937 158 HB3 PHE 21 HB1 PHE 21 7.457 6.532 -9.988 159 HD1 PHE 21 HD1 PHE 21 4.751 8.735 -8.740 160 HD2 PHE 21 HD2 PHE 21 5.918 4.789 -9.820 161 HE1 PHE 21 HE1 PHE 21 2.414 7.992 -8.546 162 HE2 PHE 21 HE2 PHE 21 3.583 4.041 -9.628 163 HZ PHE 21 HZ PHE 21 1.829 5.644 -8.993 164 H ALA 22 HN ALA 22 6.024 6.639 -6.274 165 HA ALA 22 HA ALA 22 5.735 4.826 -4.947 166 HB1 ALA 22 HB1 ALA 22 7.063 3.350 -7.218 167 HB2 ALA 22 HB2 ALA 22 5.343 3.722 -7.095 168 HB3 ALA 22 HB3 ALA 22 6.094 2.628 -5.932 169 H TRP 23 HN TRP 23 7.323 5.877 -3.532 170 HA TRP 23 HA TRP 23 10.036 5.006 -3.489 171 HB2 TRP 23 HB2 TRP 23 8.467 6.193 -1.193 172 HB3 TRP 23 HB1 TRP 23 10.210 6.238 -1.436 173 HD1 TRP 23 HD1 TRP 23 11.060 7.808 -3.561 174 HE1 TRP 23 HE1 TRP 23 10.060 10.003 -4.462 175 HE3 TRP 23 HE3 TRP 23 6.400 7.474 -1.500 176 HZ2 TRP 23 HZ2 TRP 23 7.610 11.403 -4.315 177 HZ3 TRP 23 HZ3 TRP 23 4.786 9.280 -1.930 178 HH2 TRP 23 HH2 TRP 23 5.381 11.203 -3.307 179 H ASN 24 HN ASN 24 7.078 4.070 -1.843 180 HA ASN 24 HA ASN 24 8.491 1.828 -0.569 181 HB2 ASN 24 HB2 ASN 24 5.678 2.844 -0.076 182 HB3 ASN 24 HB1 ASN 24 6.499 1.582 0.834 183 HD21 ASN 24 HD21 ASN 24 5.357 4.061 1.780 184 HD22 ASN 24 HD22 ASN 24 6.641 4.943 2.532 185 H VAL 25 HN VAL 25 8.426 -0.031 -1.621 186 HA VAL 25 HA VAL 25 6.319 -0.428 -3.626 187 HB VAL 25 HB VAL 25 9.002 -1.798 -3.354 188 HG11 VAL 25 HG11 VAL 25 7.335 -3.295 -4.326 189 HG12 VAL 25 HG12 VAL 25 8.513 -2.790 -5.538 190 HG13 VAL 25 HG13 VAL 25 6.908 -2.060 -5.510 191 HG21 VAL 25 HG21 VAL 25 9.154 0.540 -4.069 192 HG22 VAL 25 HG22 VAL 25 8.019 0.211 -5.377 193 HG23 VAL 25 HG23 VAL 25 9.601 -0.565 -5.368 194 H CYS 26 HN CYS 26 4.810 -1.923 -3.344 195 HA CYS 26 HA CYS 26 5.146 -3.827 -1.132 196 HB2 CYS 26 HB2 CYS 26 2.652 -2.653 -2.363 197 HB3 CYS 26 HB1 CYS 26 2.635 -3.959 -1.182 198 H VAL 27 HN VAL 27 5.354 -5.882 -1.594 199 HA VAL 27 HA VAL 27 4.206 -6.911 -4.097 200 HB VAL 27 HB VAL 27 6.147 -8.548 -4.149 201 HG11 VAL 27 HG11 VAL 27 6.730 -5.626 -4.614 202 HG12 VAL 27 HG12 VAL 27 5.944 -6.730 -5.742 203 HG13 VAL 27 HG13 VAL 27 7.634 -6.975 -5.301 204 HG21 VAL 27 HG21 VAL 27 7.357 -6.516 -2.276 205 HG22 VAL 27 HG22 VAL 27 8.233 -7.821 -3.076 206 HG23 VAL 27 HG23 VAL 27 6.981 -8.194 -1.892 207 H TYR 28 HN TYR 28 3.294 -8.924 -3.991 208 HA TYR 28 HA TYR 28 2.708 -9.867 -1.303 209 HB2 TYR 28 HB2 TYR 28 1.566 -10.626 -3.998 210 HB3 TYR 28 HB1 TYR 28 1.059 -11.348 -2.475 211 HD1 TYR 28 HD1 TYR 28 -0.198 -10.035 -0.834 212 HD2 TYR 28 HD2 TYR 28 0.889 -8.386 -4.602 213 HE1 TYR 28 HE1 TYR 28 -1.816 -8.222 -0.502 214 HE2 TYR 28 HE2 TYR 28 -0.724 -6.567 -4.279 215 HH TYR 28 HH TYR 28 -2.219 -5.940 -1.278 216 H ARG 29 HN ARG 29 4.089 -11.215 -0.432 217 HA ARG 29 HA ARG 29 5.158 -13.404 -2.091 218 HB2 ARG 29 HB2 ARG 29 6.659 -11.821 0.009 219 HB3 ARG 29 HB1 ARG 29 7.264 -13.273 -0.773 220 HG2 ARG 29 HG2 ARG 29 7.191 -12.123 -2.939 221 HG3 ARG 29 HG1 ARG 29 6.624 -10.662 -2.126 222 HD2 ARG 29 HD2 ARG 29 8.680 -10.587 -0.811 223 HD3 ARG 29 HD1 ARG 29 9.246 -12.058 -1.600 224 HE ARG 29 HE ARG 29 8.607 -9.997 -3.474 225 HH11 ARG 29 HH11 ARG 29 11.087 -11.143 -1.286 226 HH12 ARG 29 HH12 ARG 29 12.381 -10.386 -2.158 227 HH21 ARG 29 HH21 ARG 29 10.307 -9.001 -4.621 228 HH22 ARG 29 HH22 ARG 29 11.938 -9.164 -4.053 229 H ASN 30 HN ASN 30 4.812 -15.361 -1.257 230 HA ASN 30 HA ASN 30 4.055 -17.005 0.112 231 HB2 ASN 30 HB2 ASN 30 5.133 -15.146 2.236 232 HB3 ASN 30 HB1 ASN 30 4.446 -16.722 2.609 233 HD21 ASN 30 HD21 ASN 30 6.370 -17.495 3.424 234 HD22 ASN 30 HD22 ASN 30 7.706 -17.907 2.410 235 H GLY 31 HN GLY 31 2.398 -14.660 -0.687 236 HA2 GLY 31 HA2 GLY 31 0.092 -14.416 -0.588 237 HA3 GLY 31 HA1 GLY 31 0.070 -15.461 0.822 238 H VAL 32 HN VAL 32 2.352 -13.009 1.210 239 HA VAL 32 HA VAL 32 0.374 -11.356 2.626 240 HB VAL 32 HB VAL 32 1.843 -12.730 4.139 241 HG11 VAL 32 HG11 VAL 32 3.923 -12.630 2.925 242 HG12 VAL 32 HG12 VAL 32 4.133 -11.954 4.540 243 HG13 VAL 32 HG13 VAL 32 3.997 -10.882 3.147 244 HG21 VAL 32 HG21 VAL 32 2.285 -10.889 5.704 245 HG22 VAL 32 HG22 VAL 32 0.692 -10.765 4.959 246 HG23 VAL 32 HG23 VAL 32 2.010 -9.734 4.401 247 H ARG 33 HN ARG 33 0.642 -9.155 2.585 248 HA ARG 33 HA ARG 33 2.064 -8.104 0.325 249 HB2 ARG 33 HB2 ARG 33 -0.139 -7.238 0.906 250 HB3 ARG 33 HB1 ARG 33 0.439 -6.759 2.493 251 HG2 ARG 33 HG2 ARG 33 1.936 -5.128 1.457 252 HG3 ARG 33 HG1 ARG 33 1.347 -5.607 -0.136 253 HD2 ARG 33 HD2 ARG 33 -0.875 -4.860 0.405 254 HD3 ARG 33 HD1 ARG 33 -0.398 -4.522 2.067 255 HE ARG 33 HE ARG 33 1.266 -2.934 0.718 256 HH11 ARG 33 HH11 ARG 33 -2.180 -3.446 0.396 257 HH12 ARG 33 HH12 ARG 33 -2.497 -1.840 -0.173 258 HH21 ARG 33 HH21 ARG 33 0.853 -0.806 -0.020 259 HH22 ARG 33 HH22 ARG 33 -0.773 -0.339 -0.407 260 H VAL 34 HN VAL 34 4.230 -8.108 0.577 261 HA VAL 34 HA VAL 34 5.402 -7.020 3.026 262 HB VAL 34 HB VAL 34 6.832 -8.123 0.598 263 HG11 VAL 34 HG11 VAL 34 8.210 -6.698 2.011 264 HG12 VAL 34 HG12 VAL 34 8.721 -8.382 2.132 265 HG13 VAL 34 HG13 VAL 34 7.768 -7.655 3.424 266 HG21 VAL 34 HG21 VAL 34 5.397 -9.848 1.532 267 HG22 VAL 34 HG22 VAL 34 6.057 -9.547 3.140 268 HG23 VAL 34 HG23 VAL 34 7.091 -10.203 1.871 269 H CYS 35 HN CYS 35 5.980 -4.940 3.139 270 HA CYS 35 HA CYS 35 6.331 -3.468 0.609 271 HB2 CYS 35 HB2 CYS 35 5.076 -2.435 3.162 272 HB3 CYS 35 HB1 CYS 35 5.329 -1.502 1.692 273 H HIS 36 HN HIS 36 8.443 -3.046 0.434 274 HA HIS 36 HA HIS 36 9.958 -2.388 2.837 275 HB2 HIS 36 HB2 HIS 36 11.960 -2.613 1.518 276 HB3 HIS 36 HB1 HIS 36 10.928 -3.998 1.197 277 HD1 HIS 36 HD1 HIS 36 9.984 -4.238 -1.198 278 HD2 HIS 36 HD2 HIS 36 12.426 -0.920 -0.663 279 HE1 HIS 36 HE1 HIS 36 10.533 -3.426 -3.510 280 HE2 HIS 36 HE2 HIS 36 12.180 -1.555 -3.160 281 H ARG 37 HN ARG 37 10.534 -0.416 3.383 282 HA ARG 37 HA ARG 37 9.685 1.804 1.684 283 HB2 ARG 37 HB2 ARG 37 10.626 1.743 4.561 284 HB3 ARG 37 HB1 ARG 37 10.037 3.168 3.717 285 HG2 ARG 37 HG2 ARG 37 7.846 2.194 3.498 286 HG3 ARG 37 HG1 ARG 37 8.415 0.684 4.213 287 HD2 ARG 37 HD2 ARG 37 8.908 1.864 6.297 288 HD3 ARG 37 HD1 ARG 37 8.332 3.368 5.582 289 HE ARG 37 HE ARG 37 6.151 2.021 5.314 290 HH11 ARG 37 HH11 ARG 37 8.388 1.759 7.993 291 HH12 ARG 37 HH12 ARG 37 7.174 1.248 9.122 292 HH21 ARG 37 HH21 ARG 37 4.548 1.350 6.802 293 HH22 ARG 37 HH22 ARG 37 4.995 1.000 8.440 294 H ARG 38 HN ARG 38 11.113 3.640 1.373 295 HA ARG 38 HA ARG 38 13.813 2.832 0.822 296 HB2 ARG 38 HB2 ARG 38 12.700 4.425 -0.670 297 HB3 ARG 38 HB1 ARG 38 12.523 5.567 0.658 298 HG2 ARG 38 HG2 ARG 38 14.996 5.663 0.836 299 HG3 ARG 38 HG1 ARG 38 15.100 4.633 -0.591 300 HD2 ARG 38 HD2 ARG 38 13.930 6.320 -1.904 301 HD3 ARG 38 HD1 ARG 38 13.784 7.343 -0.474 302 HE ARG 38 HE ARG 38 16.491 6.771 -0.813 303 HH11 ARG 38 HH11 ARG 38 13.946 8.505 -2.487 304 HH12 ARG 38 HH12 ARG 38 15.037 9.606 -3.267 305 HH21 ARG 38 HH21 ARG 38 17.923 8.212 -1.844 306 HH22 ARG 38 HH22 ARG 38 17.295 9.437 -2.901 307 H ALA 39 HN ALA 39 15.186 2.583 2.438 308 HA ALA 39 HA ALA 39 15.098 4.473 4.684 309 HB1 ALA 39 HB1 ALA 39 14.826 2.103 5.269 310 HB2 ALA 39 HB2 ALA 39 16.292 2.789 5.968 311 HB3 ALA 39 HB3 ALA 39 16.394 1.754 4.544 312 H ASN 40 HN ASN 40 16.666 3.963 1.867 313 HA ASN 40 HA ASN 40 18.864 5.670 2.691 314 HB2 ASN 40 HB2 ASN 40 19.693 3.314 2.935 315 HB3 ASN 40 HB1 ASN 40 19.404 3.083 1.215 316 HD21 ASN 40 HD21 ASN 40 20.724 4.148 -0.279 317 HD22 ASN 40 HD22 ASN 40 22.253 4.820 0.177
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