NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9266 | 1nmr | 5698 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 27.666 -25.736 -28.723 2 2H GLY 1 HT2 GLY 1 28.282 -27.083 -29.540 3 3H GLY 1 HT3 GLY 1 29.188 -25.657 -29.459 4 1HA GLY 1 HA1 GLY 1 28.467 -27.379 -27.149 5 2HA GLY 1 HA2 GLY 1 30.043 -27.326 -27.924 6 H SER 2 HN SER 2 31.217 -25.284 -27.864 7 HA SER 2 HA SER 2 30.763 -23.937 -25.308 8 1HB SER 2 HB2 SER 2 33.188 -23.601 -27.067 9 2HB SER 2 HB1 SER 2 33.044 -23.324 -25.331 10 HG SER 2 HG SER 2 32.645 -25.886 -26.447 11 H SER 3 HN SER 3 29.125 -23.345 -27.633 12 HA SER 3 HA SER 3 29.718 -20.477 -27.846 13 1HB SER 3 HB2 SER 3 28.391 -21.467 -30.231 14 2HB SER 3 HB1 SER 3 29.868 -20.515 -30.086 15 HG SER 3 HG SER 3 30.990 -22.472 -29.696 16 H LEU 4 HN LEU 4 28.135 -20.661 -26.008 17 HA LEU 4 HA LEU 4 25.395 -21.222 -26.732 18 1HB LEU 4 HB2 LEU 4 24.996 -20.271 -24.354 19 2HB LEU 4 HB1 LEU 4 25.741 -21.841 -24.546 20 HG LEU 4 HG LEU 4 26.696 -20.227 -22.789 21 1HD1 LEU 4 HD11 LEU 4 27.832 -22.259 -24.325 22 2HD1 LEU 4 HD12 LEU 4 28.387 -21.650 -22.766 23 3HD1 LEU 4 HD13 LEU 4 29.046 -20.983 -24.259 24 1HD2 LEU 4 HD21 LEU 4 26.935 -18.196 -23.914 25 2HD2 LEU 4 HD22 LEU 4 27.686 -18.947 -25.318 26 3HD2 LEU 4 HD23 LEU 4 28.578 -18.823 -23.805 27 H ALA 5 HN ALA 5 23.815 -19.427 -25.642 28 HA ALA 5 HA ALA 5 23.742 -17.309 -27.450 29 1HB ALA 5 HB1 ALA 5 22.210 -16.326 -25.497 30 2HB ALA 5 HB2 ALA 5 22.310 -18.002 -24.956 31 3HB ALA 5 HB3 ALA 5 21.683 -17.630 -26.562 32 H SER 6 HN SER 6 23.925 -15.006 -27.055 33 HA SER 6 HA SER 6 26.218 -14.407 -25.330 34 1HB SER 6 HB2 SER 6 25.246 -13.402 -27.918 35 2HB SER 6 HB1 SER 6 25.810 -12.143 -26.820 36 HG SER 6 HG SER 6 27.705 -12.715 -27.530 37 H GLN 7 HN GLN 7 25.132 -14.220 -23.349 38 HA GLN 7 HA GLN 7 23.084 -12.140 -23.132 39 1HB GLN 7 HB2 GLN 7 22.553 -14.260 -22.073 40 2HB GLN 7 HB1 GLN 7 24.047 -14.207 -21.148 41 1HG GLN 7 HG2 GLN 7 22.286 -13.590 -19.691 42 2HG GLN 7 HG1 GLN 7 23.202 -12.128 -20.053 43 1HE2 GLN 7 HE21 GLN 7 21.885 -10.466 -20.173 44 2HE2 GLN 7 HE22 GLN 7 20.340 -10.439 -20.946 45 H GLY 8 HN GLY 8 23.394 -10.243 -22.086 46 1HA GLY 8 HA2 GLY 8 26.142 -9.625 -21.298 47 2HA GLY 8 HA1 GLY 8 24.864 -8.458 -21.603 48 H GLN 9 HN GLN 9 23.890 -7.562 -19.901 49 HA GLN 9 HA GLN 9 24.455 -8.707 -17.254 50 1HB GLN 9 HB2 GLN 9 23.746 -6.365 -16.477 51 2HB GLN 9 HB1 GLN 9 25.291 -6.520 -17.301 52 1HG GLN 9 HG2 GLN 9 23.031 -5.966 -19.073 53 2HG GLN 9 HG1 GLN 9 23.371 -4.696 -17.900 54 1HE2 GLN 9 HE21 GLN 9 23.684 -4.688 -20.798 55 2HE2 GLN 9 HE22 GLN 9 25.347 -4.328 -21.100 56 H ASN 10 HN ASN 10 22.715 -10.253 -17.525 57 HA ASN 10 HA ASN 10 20.033 -9.503 -17.918 58 1HB ASN 10 HB2 ASN 10 21.306 -11.876 -17.821 59 2HB ASN 10 HB1 ASN 10 20.586 -11.868 -16.214 60 1HD2 ASN 10 HD21 ASN 10 19.877 -13.752 -18.053 61 2HD2 ASN 10 HD22 ASN 10 18.249 -13.485 -18.568 62 H LEU 11 HN LEU 11 21.960 -9.943 -14.995 63 HA LEU 11 HA LEU 11 19.976 -9.700 -13.064 64 1HB LEU 11 HB2 LEU 11 22.867 -8.842 -13.039 65 2HB LEU 11 HB1 LEU 11 21.841 -8.782 -11.618 66 HG LEU 11 HG LEU 11 21.788 -11.396 -12.901 67 1HD1 LEU 11 HD11 LEU 11 24.206 -10.370 -13.245 68 2HD1 LEU 11 HD12 LEU 11 23.961 -12.057 -12.792 69 3HD1 LEU 11 HD13 LEU 11 24.381 -10.866 -11.562 70 1HD2 LEU 11 HD21 LEU 11 20.894 -11.175 -10.736 71 2HD2 LEU 11 HD22 LEU 11 22.319 -10.318 -10.147 72 3HD2 LEU 11 HD23 LEU 11 22.418 -12.037 -10.530 73 H SER 12 HN SER 12 21.626 -7.178 -14.901 74 HA SER 12 HA SER 12 20.818 -4.978 -13.367 75 1HB SER 12 HB2 SER 12 21.354 -5.135 -16.343 76 2HB SER 12 HB1 SER 12 21.222 -3.641 -15.416 77 HG SER 12 HG SER 12 23.046 -5.622 -14.612 78 H THR 13 HN THR 13 19.209 -6.681 -16.017 79 HA THR 13 HA THR 13 16.967 -4.856 -16.000 80 HB THR 13 HB THR 13 17.755 -5.975 -18.072 81 HG1 THR 13 HG1 THR 13 15.123 -6.173 -17.159 82 1HG2 THR 13 HG21 THR 13 16.790 -8.335 -18.392 83 2HG2 THR 13 HG22 THR 13 16.866 -8.436 -16.634 84 3HG2 THR 13 HG23 THR 13 18.336 -8.151 -17.565 85 H VAL 14 HN VAL 14 17.864 -7.169 -13.872 86 HA VAL 14 HA VAL 14 15.273 -8.410 -13.490 87 HB VAL 14 HB VAL 14 17.815 -8.626 -11.867 88 1HG1 VAL 14 HG11 VAL 14 15.249 -10.194 -11.690 89 2HG1 VAL 14 HG12 VAL 14 15.923 -9.124 -10.460 90 3HG1 VAL 14 HG13 VAL 14 16.755 -10.622 -10.880 91 1HG2 VAL 14 HG21 VAL 14 18.313 -10.567 -13.027 92 2HG2 VAL 14 HG22 VAL 14 17.672 -9.520 -14.291 93 3HG2 VAL 14 HG23 VAL 14 16.657 -10.776 -13.591 94 H LEU 15 HN LEU 15 17.198 -5.842 -12.099 95 HA LEU 15 HA LEU 15 15.662 -5.507 -9.727 96 1HB LEU 15 HB2 LEU 15 17.770 -3.996 -11.156 97 2HB LEU 15 HB1 LEU 15 16.735 -3.063 -10.093 98 HG LEU 15 HG LEU 15 17.347 -4.494 -8.207 99 1HD1 LEU 15 HD11 LEU 15 19.601 -5.863 -9.171 100 2HD1 LEU 15 HD12 LEU 15 18.289 -6.216 -10.295 101 3HD1 LEU 15 HD13 LEU 15 18.090 -6.550 -8.576 102 1HD2 LEU 15 HD21 LEU 15 19.924 -3.706 -9.505 103 2HD2 LEU 15 HD22 LEU 15 19.419 -3.537 -7.823 104 3HD2 LEU 15 HD23 LEU 15 18.739 -2.479 -9.059 105 H ALA 16 HN ALA 16 15.514 -4.166 -12.973 106 HA ALA 16 HA ALA 16 13.593 -2.160 -12.469 107 1HB ALA 16 HB1 ALA 16 15.084 -2.420 -14.512 108 2HB ALA 16 HB2 ALA 16 13.416 -1.926 -14.802 109 3HB ALA 16 HB3 ALA 16 13.905 -3.597 -15.089 110 H ASN 17 HN ASN 17 13.300 -5.515 -12.392 111 HA ASN 17 HA ASN 17 10.513 -5.565 -13.224 112 1HB ASN 17 HB2 ASN 17 12.452 -7.408 -13.503 113 2HB ASN 17 HB1 ASN 17 11.767 -7.947 -11.973 114 1HD2 ASN 17 HD21 ASN 17 10.793 -6.961 -15.232 115 2HD2 ASN 17 HD22 ASN 17 9.504 -8.102 -15.379 116 H LEU 18 HN LEU 18 11.782 -4.316 -10.638 117 HA LEU 18 HA LEU 18 9.916 -5.579 -8.744 118 1HB LEU 18 HB2 LEU 18 12.450 -4.047 -8.172 119 2HB LEU 18 HB1 LEU 18 11.367 -4.700 -6.959 120 HG LEU 18 HG LEU 18 12.942 -6.331 -8.952 121 1HD1 LEU 18 HD11 LEU 18 13.334 -6.268 -5.985 122 2HD1 LEU 18 HD12 LEU 18 14.160 -5.124 -7.043 123 3HD1 LEU 18 HD13 LEU 18 14.426 -6.856 -7.239 124 1HD2 LEU 18 HD21 LEU 18 12.131 -8.262 -7.835 125 2HD2 LEU 18 HD22 LEU 18 10.724 -7.271 -8.217 126 3HD2 LEU 18 HD23 LEU 18 11.366 -7.294 -6.575 127 H THR 19 HN THR 19 8.686 -3.857 -10.344 128 HA THR 19 HA THR 19 8.793 -1.171 -9.294 129 HB THR 19 HB THR 19 6.939 -2.435 -11.320 130 HG1 THR 19 HG1 THR 19 9.049 -0.606 -11.751 131 1HG2 THR 19 HG21 THR 19 5.994 -0.419 -11.800 132 2HG2 THR 19 HG22 THR 19 7.350 0.498 -11.144 133 3HG2 THR 19 HG23 THR 19 6.192 -0.265 -10.055 134 HA PRO 20 HA PRO 20 4.394 -2.314 -7.670 135 1HB PRO 20 HB2 PRO 20 3.700 -4.939 -7.611 136 2HB PRO 20 HB1 PRO 20 3.350 -3.881 -8.983 137 1HG PRO 20 HG2 PRO 20 5.582 -5.845 -8.627 138 2HG PRO 20 HG1 PRO 20 4.564 -5.554 -10.050 139 1HD PRO 20 HD2 PRO 20 7.059 -4.552 -9.835 140 2HD PRO 20 HD1 PRO 20 5.762 -3.688 -10.683 141 H GLU 21 HN GLU 21 7.254 -4.126 -7.064 142 HA GLU 21 HA GLU 21 6.473 -5.017 -4.433 143 1HB GLU 21 HB2 GLU 21 8.084 -6.264 -5.893 144 2HB GLU 21 HB1 GLU 21 9.237 -4.959 -5.653 145 1HG GLU 21 HG2 GLU 21 9.063 -5.402 -3.187 146 2HG GLU 21 HG1 GLU 21 8.141 -6.849 -3.591 147 H GLN 22 HN GLN 22 8.683 -2.577 -5.770 148 HA GLN 22 HA GLN 22 9.434 -1.545 -3.220 149 1HB GLN 22 HB2 GLN 22 9.648 -0.256 -5.947 150 2HB GLN 22 HB1 GLN 22 10.484 0.267 -4.490 151 1HG GLN 22 HG2 GLN 22 10.840 -2.445 -5.731 152 2HG GLN 22 HG1 GLN 22 11.864 -1.057 -6.096 153 1HE2 GLN 22 HE21 GLN 22 13.286 -2.982 -5.240 154 2HE2 GLN 22 HE22 GLN 22 13.703 -2.862 -3.567 155 H GLN 23 HN GLN 23 7.198 -0.477 -5.753 156 HA GLN 23 HA GLN 23 6.339 1.917 -4.719 157 1HB GLN 23 HB2 GLN 23 5.630 1.093 -6.898 158 2HB GLN 23 HB1 GLN 23 4.696 -0.187 -6.136 159 1HG GLN 23 HG2 GLN 23 3.243 1.494 -5.110 160 2HG GLN 23 HG1 GLN 23 4.172 2.767 -5.900 161 1HE2 GLN 23 HE21 GLN 23 1.479 0.865 -6.111 162 2HE2 GLN 23 HE22 GLN 23 1.148 1.030 -7.799 163 H LYS 24 HN LYS 24 4.876 -1.275 -4.077 164 HA LYS 24 HA LYS 24 2.896 -0.535 -2.321 165 1HB LYS 24 HB2 LYS 24 4.566 -2.987 -2.621 166 2HB LYS 24 HB1 LYS 24 3.551 -2.847 -1.192 167 1HG LYS 24 HG2 LYS 24 2.580 -2.653 -4.037 168 2HG LYS 24 HG1 LYS 24 2.462 -4.083 -3.009 169 1HD LYS 24 HD2 LYS 24 0.509 -3.311 -2.273 170 2HD LYS 24 HD1 LYS 24 1.379 -1.983 -1.505 171 1HE LYS 24 HE2 LYS 24 1.253 -0.834 -3.792 172 2HE LYS 24 HE1 LYS 24 0.038 -2.048 -4.189 173 1HZ LYS 24 HZ1 LYS 24 -0.259 -0.524 -1.702 174 2HZ LYS 24 HZ2 LYS 24 -1.447 -1.180 -2.708 175 3HZ LYS 24 HZ3 LYS 24 -0.644 0.236 -3.163 176 H ASN 25 HN ASN 25 6.298 -1.123 -1.625 177 HA ASN 25 HA ASN 25 6.148 -0.827 1.171 178 1HB ASN 25 HB2 ASN 25 8.355 -0.697 -0.846 179 2HB ASN 25 HB1 ASN 25 8.672 -0.187 0.810 180 1HD2 ASN 25 HD21 ASN 25 6.814 -2.825 -0.685 181 2HD2 ASN 25 HD22 ASN 25 7.552 -4.088 0.233 182 H VAL 26 HN VAL 26 7.186 1.514 -1.328 183 HA VAL 26 HA VAL 26 7.585 3.669 0.398 184 HB VAL 26 HB VAL 26 8.223 3.494 -2.067 185 1HG1 VAL 26 HG11 VAL 26 6.147 3.029 -3.111 186 2HG1 VAL 26 HG12 VAL 26 6.644 4.635 -3.626 187 3HG1 VAL 26 HG13 VAL 26 5.394 4.454 -2.401 188 1HG2 VAL 26 HG21 VAL 26 8.668 5.721 -2.105 189 2HG2 VAL 26 HG22 VAL 26 8.189 5.566 -0.415 190 3HG2 VAL 26 HG23 VAL 26 7.036 6.168 -1.607 191 H LEU 27 HN LEU 27 4.692 2.711 -1.397 192 HA LEU 27 HA LEU 27 3.011 4.804 -0.835 193 1HB LEU 27 HB2 LEU 27 2.301 1.872 -0.879 194 2HB LEU 27 HB1 LEU 27 1.139 3.182 -0.944 195 HG LEU 27 HG LEU 27 3.127 2.360 -3.040 196 1HD1 LEU 27 HD11 LEU 27 0.187 2.342 -2.719 197 2HD1 LEU 27 HD12 LEU 27 1.254 1.175 -3.500 198 3HD1 LEU 27 HD13 LEU 27 0.833 2.675 -4.326 199 1HD2 LEU 27 HD21 LEU 27 3.428 4.548 -3.452 200 2HD2 LEU 27 HD22 LEU 27 2.008 5.025 -2.520 201 3HD2 LEU 27 HD23 LEU 27 1.823 4.441 -4.174 202 H GLY 28 HN GLY 28 3.514 1.921 1.204 203 1HA GLY 28 HA2 GLY 28 1.772 2.671 3.273 204 2HA GLY 28 HA1 GLY 28 3.125 1.563 3.437 205 H GLU 29 HN GLU 29 5.297 3.163 3.000 206 HA GLU 29 HA GLU 29 5.667 4.415 5.465 207 1HB GLU 29 HB2 GLU 29 7.173 5.152 2.956 208 2HB GLU 29 HB1 GLU 29 7.747 5.213 4.617 209 1HG GLU 29 HG2 GLU 29 6.963 2.553 4.115 210 2HG GLU 29 HG1 GLU 29 7.917 3.084 2.731 211 H ARG 30 HN ARG 30 5.137 5.905 2.275 212 HA ARG 30 HA ARG 30 4.891 8.550 3.262 213 1HB ARG 30 HB2 ARG 30 3.641 7.543 0.709 214 2HB ARG 30 HB1 ARG 30 4.247 9.157 1.066 215 1HG ARG 30 HG2 ARG 30 6.479 7.604 1.398 216 2HG ARG 30 HG1 ARG 30 5.647 6.808 0.061 217 1HD ARG 30 HD2 ARG 30 5.746 8.695 -1.289 218 2HD ARG 30 HD1 ARG 30 6.004 9.778 0.077 219 HE ARG 30 HE ARG 30 8.001 8.393 -1.416 220 1HH1 ARG 30 HH11 ARG 30 7.229 9.650 1.746 221 2HH1 ARG 30 HH12 ARG 30 8.886 9.850 2.208 222 1HH2 ARG 30 HH21 ARG 30 10.177 8.656 -0.813 223 2HH2 ARG 30 HH22 ARG 30 10.560 9.285 0.754 224 H LEU 31 HN LEU 31 2.760 5.873 3.242 225 HA LEU 31 HA LEU 31 0.297 7.322 3.203 226 1HB LEU 31 HB2 LEU 31 1.078 4.654 3.036 227 2HB LEU 31 HB1 LEU 31 0.180 4.746 4.530 228 HG LEU 31 HG LEU 31 -1.277 6.130 2.503 229 1HD1 LEU 31 HD11 LEU 31 -0.300 3.385 1.760 230 2HD1 LEU 31 HD12 LEU 31 -0.208 4.868 0.812 231 3HD1 LEU 31 HD13 LEU 31 -1.769 4.098 1.094 232 1HD2 LEU 31 HD21 LEU 31 -2.000 4.964 4.653 233 2HD2 LEU 31 HD22 LEU 31 -1.947 3.473 3.717 234 3HD2 LEU 31 HD23 LEU 31 -3.036 4.775 3.240 235 H TYR 32 HN TYR 32 1.868 5.448 5.784 236 HA TYR 32 HA TYR 32 0.270 6.161 7.890 237 1HB TYR 32 HB2 TYR 32 2.228 4.502 7.794 238 2HB TYR 32 HB1 TYR 32 3.266 5.875 8.152 239 HD1 TYR 32 HD1 TYR 32 2.802 7.175 10.309 240 HD2 TYR 32 HD2 TYR 32 1.180 3.318 9.522 241 HE1 TYR 32 HE1 TYR 32 2.414 6.853 12.717 242 HE2 TYR 32 HE2 TYR 32 0.791 2.991 11.929 243 HH TYR 32 HH TYR 32 1.762 3.894 14.095 244 H ASN 33 HN ASN 33 2.803 8.049 6.387 245 HA ASN 33 HA ASN 33 3.039 10.009 8.431 246 1HB ASN 33 HB2 ASN 33 4.846 9.796 6.893 247 2HB ASN 33 HB1 ASN 33 3.778 9.966 5.505 248 1HD2 ASN 33 HD21 ASN 33 2.573 12.106 5.425 249 2HD2 ASN 33 HD22 ASN 33 3.503 13.514 5.819 250 H HIS 34 HN HIS 34 1.017 9.769 5.548 251 HA HIS 34 HA HIS 34 0.110 12.426 5.586 252 1HB HIS 34 HB2 HIS 34 -1.596 11.731 4.103 253 2HB HIS 34 HB1 HIS 34 -0.201 10.745 3.708 254 HD1 HIS 34 HD1 HIS 34 -1.044 8.483 3.081 255 HD2 HIS 34 HD2 HIS 34 -3.163 10.123 6.229 256 HE1 HIS 34 HE1 HIS 34 -2.723 6.731 3.758 257 HE2 HIS 34 HE2 HIS 34 -3.924 7.714 5.728 258 H ILE 35 HN ILE 35 -0.992 9.528 7.140 259 HA ILE 35 HA ILE 35 -3.167 10.919 8.484 260 HB ILE 35 HB ILE 35 -3.866 8.870 7.564 261 1HG1 ILE 35 HG12 ILE 35 -3.383 8.264 10.480 262 2HG1 ILE 35 HG11 ILE 35 -4.631 9.360 9.898 263 1HG2 ILE 35 HG21 ILE 35 -1.569 7.524 8.971 264 2HG2 ILE 35 HG22 ILE 35 -1.678 7.851 7.241 265 3HG2 ILE 35 HG23 ILE 35 -2.804 6.729 7.996 266 1HD1 ILE 35 HD11 ILE 35 -5.702 7.314 10.295 267 2HD1 ILE 35 HD12 ILE 35 -4.428 6.395 9.497 268 3HD1 ILE 35 HD13 ILE 35 -5.512 7.411 8.546 269 H VAL 36 HN VAL 36 -0.026 9.530 9.321 270 HA VAL 36 HA VAL 36 -0.330 9.030 11.989 271 HB VAL 36 HB VAL 36 1.832 8.710 10.883 272 1HG1 VAL 36 HG11 VAL 36 2.298 11.667 11.157 273 2HG1 VAL 36 HG12 VAL 36 1.764 10.911 9.657 274 3HG1 VAL 36 HG13 VAL 36 3.317 10.470 10.358 275 1HG2 VAL 36 HG21 VAL 36 3.275 9.627 12.738 276 2HG2 VAL 36 HG22 VAL 36 1.892 8.661 13.250 277 3HG2 VAL 36 HG23 VAL 36 1.827 10.418 13.358 278 H ALA 37 HN ALA 37 0.353 12.219 10.556 279 HA ALA 37 HA ALA 37 0.156 13.583 13.065 280 1HB ALA 37 HB1 ALA 37 0.049 14.748 10.285 281 2HB ALA 37 HB2 ALA 37 1.533 14.391 11.168 282 3HB ALA 37 HB3 ALA 37 0.411 15.605 11.783 283 H ILE 38 HN ILE 38 -2.059 12.668 10.557 284 HA ILE 38 HA ILE 38 -4.119 14.503 11.501 285 HB ILE 38 HB ILE 38 -4.481 12.354 9.428 286 1HG1 ILE 38 HG12 ILE 38 -2.579 13.652 8.722 287 2HG1 ILE 38 HG11 ILE 38 -3.966 14.156 7.764 288 1HG2 ILE 38 HG21 ILE 38 -6.492 13.461 10.369 289 2HG2 ILE 38 HG22 ILE 38 -6.281 13.738 8.640 290 3HG2 ILE 38 HG23 ILE 38 -5.865 15.006 9.793 291 1HD1 ILE 38 HD11 ILE 38 -3.731 15.772 10.123 292 2HD1 ILE 38 HD12 ILE 38 -3.717 16.251 8.428 293 3HD1 ILE 38 HD13 ILE 38 -2.219 15.762 9.218 294 H ASN 39 HN ASN 39 -4.156 10.976 10.906 295 HA ASN 39 HA ASN 39 -5.812 10.709 13.330 296 1HB ASN 39 HB2 ASN 39 -6.347 9.859 10.602 297 2HB ASN 39 HB1 ASN 39 -6.414 8.507 11.726 298 1HD2 ASN 39 HD21 ASN 39 -8.315 8.155 12.596 299 2HD2 ASN 39 HD22 ASN 39 -9.557 9.328 12.850 300 HA PRO 40 HA PRO 40 -1.737 8.465 13.929 301 1HB PRO 40 HB2 PRO 40 -2.719 8.924 16.697 302 2HB PRO 40 HB1 PRO 40 -1.098 9.127 16.029 303 1HG PRO 40 HG2 PRO 40 -2.702 11.222 16.558 304 2HG PRO 40 HG1 PRO 40 -1.549 11.227 15.217 305 1HD PRO 40 HD2 PRO 40 -4.497 11.007 15.171 306 2HD PRO 40 HD1 PRO 40 -3.386 11.610 13.928 307 H ALA 41 HN ALA 41 -4.764 8.082 15.770 308 HA ALA 41 HA ALA 41 -4.242 5.306 16.322 309 1HB ALA 41 HB1 ALA 41 -6.920 6.588 16.684 310 2HB ALA 41 HB2 ALA 41 -5.573 6.996 17.747 311 3HB ALA 41 HB3 ALA 41 -6.140 5.329 17.643 312 H ALA 42 HN ALA 42 -4.147 5.662 13.587 313 HA ALA 42 HA ALA 42 -6.103 3.759 12.729 314 1HB ALA 42 HB1 ALA 42 -7.621 5.292 12.101 315 2HB ALA 42 HB2 ALA 42 -6.559 5.501 10.710 316 3HB ALA 42 HB3 ALA 42 -6.444 6.605 12.081 317 H ALA 43 HN ALA 43 -3.541 6.031 11.886 318 HA ALA 43 HA ALA 43 -2.669 5.291 9.449 319 1HB ALA 43 HB1 ALA 43 -0.464 5.919 10.077 320 2HB ALA 43 HB2 ALA 43 -0.770 5.541 11.772 321 3HB ALA 43 HB3 ALA 43 -1.572 6.918 11.017 322 H ALA 44 HN ALA 44 -1.763 3.587 12.450 323 HA ALA 44 HA ALA 44 -0.259 1.548 11.392 324 1HB ALA 44 HB1 ALA 44 -1.533 0.271 13.430 325 2HB ALA 44 HB2 ALA 44 -1.779 1.965 13.855 326 3HB ALA 44 HB3 ALA 44 -0.146 1.343 13.620 327 H LYS 45 HN LYS 45 -3.762 1.770 11.618 328 HA LYS 45 HA LYS 45 -4.171 -0.883 10.562 329 1HB LYS 45 HB2 LYS 45 -5.869 1.316 11.568 330 2HB LYS 45 HB1 LYS 45 -6.595 0.315 10.318 331 1HG LYS 45 HG2 LYS 45 -5.452 -0.669 12.924 332 2HG LYS 45 HG1 LYS 45 -7.165 -0.481 12.543 333 1HD LYS 45 HD2 LYS 45 -7.235 -2.408 11.400 334 2HD LYS 45 HD1 LYS 45 -5.705 -2.085 10.584 335 1HE LYS 45 HE2 LYS 45 -4.796 -2.573 13.059 336 2HE LYS 45 HE1 LYS 45 -6.256 -3.562 13.087 337 1HZ LYS 45 HZ1 LYS 45 -3.816 -4.224 11.986 338 2HZ LYS 45 HZ2 LYS 45 -4.834 -3.948 10.664 339 3HZ LYS 45 HZ3 LYS 45 -5.266 -5.084 11.840 340 H VAL 46 HN VAL 46 -4.540 2.433 9.440 341 HA VAL 46 HA VAL 46 -5.537 1.928 6.888 342 HB VAL 46 HB VAL 46 -3.795 4.187 7.873 343 1HG1 VAL 46 HG11 VAL 46 -3.553 4.225 5.540 344 2HG1 VAL 46 HG12 VAL 46 -4.810 5.406 5.889 345 3HG1 VAL 46 HG13 VAL 46 -5.240 3.811 5.276 346 1HG2 VAL 46 HG21 VAL 46 -5.828 4.174 9.073 347 2HG2 VAL 46 HG22 VAL 46 -6.769 3.822 7.623 348 3HG2 VAL 46 HG23 VAL 46 -6.010 5.402 7.821 349 H THR 47 HN THR 47 -2.196 2.273 7.993 350 HA THR 47 HA THR 47 -1.023 1.938 5.427 351 HB THR 47 HB THR 47 0.323 1.422 8.074 352 HG1 THR 47 HG1 THR 47 -0.780 3.722 7.162 353 1HG2 THR 47 HG21 THR 47 1.375 1.209 5.598 354 2HG2 THR 47 HG22 THR 47 2.290 1.635 7.044 355 3HG2 THR 47 HG23 THR 47 1.707 2.902 5.964 356 H GLY 48 HN GLY 48 -1.245 -0.261 8.219 357 1HA GLY 48 HA2 GLY 48 -0.025 -2.459 6.958 358 2HA GLY 48 HA1 GLY 48 -1.056 -2.540 8.377 359 H MET 49 HN MET 49 -3.452 -1.804 7.549 360 HA MET 49 HA MET 49 -4.284 -4.061 5.992 361 1HB MET 49 HB2 MET 49 -5.857 -1.726 7.085 362 2HB MET 49 HB1 MET 49 -6.575 -3.105 6.271 363 1HG MET 49 HG2 MET 49 -5.086 -3.096 8.880 364 2HG MET 49 HG1 MET 49 -6.799 -3.419 8.619 365 1HE MET 49 HE1 MET 49 -3.426 -4.718 9.153 366 2HE MET 49 HE2 MET 49 -3.187 -4.871 7.413 367 3HE MET 49 HE3 MET 49 -3.331 -6.316 8.413 368 H LEU 50 HN LEU 50 -4.355 -0.539 5.506 369 HA LEU 50 HA LEU 50 -5.123 0.636 3.630 370 1HB LEU 50 HB2 LEU 50 -2.666 0.607 3.666 371 2HB LEU 50 HB1 LEU 50 -2.678 -0.800 2.619 372 HG LEU 50 HG LEU 50 -3.740 0.504 0.842 373 1HD1 LEU 50 HD11 LEU 50 -3.501 2.837 2.734 374 2HD1 LEU 50 HD12 LEU 50 -5.000 2.067 2.228 375 3HD1 LEU 50 HD13 LEU 50 -4.007 2.923 1.049 376 1HD2 LEU 50 HD21 LEU 50 -1.814 2.221 0.581 377 2HD2 LEU 50 HD22 LEU 50 -1.447 0.497 0.578 378 3HD2 LEU 50 HD23 LEU 50 -1.170 1.454 2.033 379 H LEU 51 HN LEU 51 -3.904 -2.401 2.171 380 HA LEU 51 HA LEU 51 -5.785 -2.246 0.036 381 1HB LEU 51 HB2 LEU 51 -3.987 -4.496 0.937 382 2HB LEU 51 HB1 LEU 51 -4.916 -4.498 -0.550 383 HG LEU 51 HG LEU 51 -3.491 -2.144 -0.733 384 1HD1 LEU 51 HD11 LEU 51 -1.136 -2.874 -0.313 385 2HD1 LEU 51 HD12 LEU 51 -1.787 -4.238 0.595 386 3HD1 LEU 51 HD13 LEU 51 -2.095 -2.589 1.139 387 1HD2 LEU 51 HD21 LEU 51 -3.940 -4.142 -2.350 388 2HD2 LEU 51 HD22 LEU 51 -2.349 -4.681 -1.812 389 3HD2 LEU 51 HD23 LEU 51 -2.531 -3.108 -2.589 390 H GLU 52 HN GLU 52 -7.654 -2.026 1.587 391 HA GLU 52 HA GLU 52 -8.553 -4.557 2.720 392 1HB GLU 52 HB2 GLU 52 -10.276 -2.143 2.842 393 2HB GLU 52 HB1 GLU 52 -9.939 -3.348 4.077 394 1HG GLU 52 HG2 GLU 52 -7.574 -2.276 4.104 395 2HG GLU 52 HG1 GLU 52 -8.383 -0.915 3.333 396 H MET 53 HN MET 53 -11.162 -4.658 2.480 397 HA MET 53 HA MET 53 -11.575 -5.436 -0.205 398 1HB MET 53 HB2 MET 53 -13.270 -5.279 2.240 399 2HB MET 53 HB1 MET 53 -14.078 -5.454 0.689 400 1HG MET 53 HG2 MET 53 -12.002 -7.307 1.836 401 2HG MET 53 HG1 MET 53 -13.735 -7.610 1.730 402 1HE MET 53 HE1 MET 53 -15.033 -7.544 -0.504 403 2HE MET 53 HE2 MET 53 -14.588 -9.226 -0.214 404 3HE MET 53 HE3 MET 53 -14.427 -8.537 -1.830 405 H ASP 54 HN ASP 54 -13.279 -2.884 1.645 406 HA ASP 54 HA ASP 54 -14.092 -1.660 -0.865 407 1HB ASP 54 HB2 ASP 54 -15.347 -0.093 0.622 408 2HB ASP 54 HB1 ASP 54 -15.835 -1.772 0.743 409 H ASN 55 HN ASN 55 -12.837 -0.241 2.148 410 HA ASN 55 HA ASN 55 -11.896 2.118 1.169 411 1HB ASN 55 HB2 ASN 55 -11.880 1.757 3.515 412 2HB ASN 55 HB1 ASN 55 -10.835 0.348 3.368 413 1HD2 ASN 55 HD21 ASN 55 -8.866 0.708 4.035 414 2HD2 ASN 55 HD22 ASN 55 -7.994 2.187 3.922 415 H GLY 56 HN GLY 56 -10.515 -1.046 0.747 416 1HA GLY 56 HA2 GLY 56 -7.899 -0.239 0.008 417 2HA GLY 56 HA1 GLY 56 -8.646 -1.781 -0.371 418 H GLU 57 HN GLU 57 -10.464 -1.533 -2.126 419 HA GLU 57 HA GLU 57 -9.455 -1.164 -4.561 420 1HB GLU 57 HB2 GLU 57 -12.206 -0.175 -3.813 421 2HB GLU 57 HB1 GLU 57 -11.654 -0.603 -5.424 422 1HG GLU 57 HG2 GLU 57 -11.590 -2.595 -3.198 423 2HG GLU 57 HG1 GLU 57 -13.067 -2.294 -4.109 424 H ILE 58 HN ILE 58 -11.043 1.524 -2.839 425 HA ILE 58 HA ILE 58 -10.568 3.515 -4.713 426 HB ILE 58 HB ILE 58 -10.701 3.755 -1.703 427 1HG1 ILE 58 HG12 ILE 58 -13.022 4.769 -2.894 428 2HG1 ILE 58 HG11 ILE 58 -12.673 3.285 -3.775 429 1HG2 ILE 58 HG21 ILE 58 -9.629 5.719 -2.726 430 2HG2 ILE 58 HG22 ILE 58 -11.203 6.104 -2.032 431 3HG2 ILE 58 HG23 ILE 58 -11.030 5.920 -3.778 432 1HD1 ILE 58 HD11 ILE 58 -14.179 2.983 -1.838 433 2HD1 ILE 58 HD12 ILE 58 -12.855 3.473 -0.781 434 3HD1 ILE 58 HD13 ILE 58 -12.711 2.011 -1.756 435 H LEU 59 HN LEU 59 -8.558 2.465 -1.996 436 HA LEU 59 HA LEU 59 -6.560 4.227 -1.883 437 1HB LEU 59 HB2 LEU 59 -5.273 2.623 -0.907 438 2HB LEU 59 HB1 LEU 59 -6.855 1.892 -0.790 439 HG LEU 59 HG LEU 59 -6.192 0.713 -3.031 440 1HD1 LEU 59 HD11 LEU 59 -4.052 0.771 -3.696 441 2HD1 LEU 59 HD12 LEU 59 -3.437 0.651 -2.048 442 3HD1 LEU 59 HD13 LEU 59 -3.916 2.218 -2.697 443 1HD2 LEU 59 HD21 LEU 59 -4.599 -0.618 -1.070 444 2HD2 LEU 59 HD22 LEU 59 -6.210 -1.028 -1.656 445 3HD2 LEU 59 HD23 LEU 59 -6.021 0.065 -0.286 446 H ASN 60 HN ASN 60 -7.086 2.026 -4.548 447 HA ASN 60 HA ASN 60 -4.705 2.018 -5.878 448 1HB ASN 60 HB2 ASN 60 -7.299 1.357 -6.535 449 2HB ASN 60 HB1 ASN 60 -6.918 2.623 -7.696 450 1HD2 ASN 60 HD21 ASN 60 -4.204 2.157 -8.022 451 2HD2 ASN 60 HD22 ASN 60 -3.991 0.637 -8.816 452 H LEU 61 HN LEU 61 -6.779 4.769 -5.394 453 HA LEU 61 HA LEU 61 -5.035 6.376 -7.141 454 1HB LEU 61 HB2 LEU 61 -7.721 7.295 -6.203 455 2HB LEU 61 HB1 LEU 61 -6.817 7.798 -7.617 456 HG LEU 61 HG LEU 61 -7.458 5.003 -7.825 457 1HD1 LEU 61 HD11 LEU 61 -9.324 5.363 -6.393 458 2HD1 LEU 61 HD12 LEU 61 -9.932 5.303 -8.047 459 3HD1 LEU 61 HD13 LEU 61 -9.754 6.855 -7.229 460 1HD2 LEU 61 HD21 LEU 61 -7.518 5.637 -9.949 461 2HD2 LEU 61 HD22 LEU 61 -7.290 7.309 -9.439 462 3HD2 LEU 61 HD23 LEU 61 -8.918 6.661 -9.637 463 H LEU 62 HN LEU 62 -3.930 5.919 -4.741 464 HA LEU 62 HA LEU 62 -4.381 7.132 -2.452 465 1HB LEU 62 HB2 LEU 62 -1.840 7.344 -4.043 466 2HB LEU 62 HB1 LEU 62 -1.957 7.843 -2.366 467 HG LEU 62 HG LEU 62 -2.840 5.094 -3.031 468 1HD1 LEU 62 HD11 LEU 62 -0.478 4.309 -2.823 469 2HD1 LEU 62 HD12 LEU 62 0.030 5.983 -3.051 470 3HD1 LEU 62 HD13 LEU 62 -0.857 5.147 -4.328 471 1HD2 LEU 62 HD21 LEU 62 -3.013 5.386 -0.785 472 2HD2 LEU 62 HD22 LEU 62 -1.724 6.588 -0.732 473 3HD2 LEU 62 HD23 LEU 62 -1.326 4.874 -0.851 474 H ASP 63 HN ASP 63 -5.816 8.833 -2.529 475 HA ASP 63 HA ASP 63 -4.774 11.393 -3.548 476 1HB ASP 63 HB2 ASP 63 -7.552 10.288 -3.311 477 2HB ASP 63 HB1 ASP 63 -7.296 12.026 -3.351 478 H THR 64 HN THR 64 -5.571 13.348 -2.330 479 HA THR 64 HA THR 64 -4.878 13.034 0.425 480 HB THR 64 HB THR 64 -6.128 15.569 -0.489 481 HG1 THR 64 HG1 THR 64 -5.001 15.280 -2.305 482 1HG2 THR 64 HG21 THR 64 -4.861 15.129 1.714 483 2HG2 THR 64 HG22 THR 64 -4.537 16.610 0.813 484 3HG2 THR 64 HG23 THR 64 -3.414 15.254 0.713 485 HA PRO 65 HA PRO 65 -9.504 14.110 1.155 486 1HB PRO 65 HB2 PRO 65 -11.223 13.754 -0.937 487 2HB PRO 65 HB1 PRO 65 -10.469 15.298 -0.535 488 1HG PRO 65 HG2 PRO 65 -9.794 13.362 -2.684 489 2HG PRO 65 HG1 PRO 65 -9.672 15.127 -2.677 490 1HD PRO 65 HD2 PRO 65 -7.549 13.400 -2.351 491 2HD PRO 65 HD1 PRO 65 -7.565 15.086 -1.819 492 H GLY 66 HN GLY 66 -10.047 11.874 -1.555 493 1HA GLY 66 HA2 GLY 66 -11.631 10.051 -0.309 494 2HA GLY 66 HA1 GLY 66 -10.532 9.627 -1.609 495 H LEU 67 HN LEU 67 -8.118 9.524 -0.704 496 HA LEU 67 HA LEU 67 -7.902 7.232 0.812 497 1HB LEU 67 HB2 LEU 67 -6.182 9.155 -0.344 498 2HB LEU 67 HB1 LEU 67 -5.621 8.889 1.289 499 HG LEU 67 HG LEU 67 -4.627 7.486 -0.628 500 1HD1 LEU 67 HD11 LEU 67 -4.215 7.075 1.747 501 2HD1 LEU 67 HD12 LEU 67 -4.317 5.577 0.823 502 3HD1 LEU 67 HD13 LEU 67 -5.672 6.091 1.818 503 1HD2 LEU 67 HD21 LEU 67 -7.279 6.854 -1.056 504 2HD2 LEU 67 HD22 LEU 67 -6.634 5.428 -0.247 505 3HD2 LEU 67 HD23 LEU 67 -5.882 6.016 -1.728 506 H LEU 68 HN LEU 68 -6.885 10.421 2.056 507 HA LEU 68 HA LEU 68 -6.746 9.745 4.722 508 1HB LEU 68 HB2 LEU 68 -7.045 12.242 3.236 509 2HB LEU 68 HB1 LEU 68 -7.668 12.327 4.867 510 HG LEU 68 HG LEU 68 -5.382 11.365 5.575 511 1HD1 LEU 68 HD11 LEU 68 -4.368 12.621 3.075 512 2HD1 LEU 68 HD12 LEU 68 -4.903 10.941 3.035 513 3HD1 LEU 68 HD13 LEU 68 -3.609 11.427 4.129 514 1HD2 LEU 68 HD21 LEU 68 -5.643 13.501 6.305 515 2HD2 LEU 68 HD22 LEU 68 -6.075 14.113 4.708 516 3HD2 LEU 68 HD23 LEU 68 -4.387 13.788 5.101 517 H ASP 69 HN ASP 69 -9.626 10.235 2.833 518 HA ASP 69 HA ASP 69 -11.320 10.579 5.145 519 1HB ASP 69 HB2 ASP 69 -11.763 11.540 2.822 520 2HB ASP 69 HB1 ASP 69 -12.247 9.913 2.354 521 H ALA 70 HN ALA 70 -11.192 8.070 2.594 522 HA ALA 70 HA ALA 70 -12.737 6.237 4.125 523 1HB ALA 70 HB1 ALA 70 -12.884 5.958 1.810 524 2HB ALA 70 HB2 ALA 70 -11.929 4.581 2.358 525 3HB ALA 70 HB3 ALA 70 -11.132 5.963 1.605 526 H LYS 71 HN LYS 71 -9.575 7.202 4.527 527 HA LYS 71 HA LYS 71 -8.543 4.612 5.347 528 1HB LYS 71 HB2 LYS 71 -7.385 7.377 5.214 529 2HB LYS 71 HB1 LYS 71 -6.549 6.086 6.056 530 1HG LYS 71 HG2 LYS 71 -6.980 6.476 3.142 531 2HG LYS 71 HG1 LYS 71 -5.531 6.018 4.011 532 1HD LYS 71 HD2 LYS 71 -5.940 3.845 3.731 533 2HD LYS 71 HD1 LYS 71 -7.614 4.005 4.239 534 1HE LYS 71 HE2 LYS 71 -6.465 4.440 1.491 535 2HE LYS 71 HE1 LYS 71 -7.587 3.183 2.000 536 1HZ LYS 71 HZ1 LYS 71 -8.346 6.024 2.223 537 2HZ LYS 71 HZ2 LYS 71 -9.335 4.665 2.095 538 3HZ LYS 71 HZ3 LYS 71 -8.485 5.217 0.746 539 H VAL 72 HN VAL 72 -9.062 7.788 6.865 540 HA VAL 72 HA VAL 72 -8.533 6.903 9.496 541 HB VAL 72 HB VAL 72 -9.457 9.013 10.249 542 1HG1 VAL 72 HG11 VAL 72 -7.990 9.527 7.675 543 2HG1 VAL 72 HG12 VAL 72 -7.210 8.877 9.113 544 3HG1 VAL 72 HG13 VAL 72 -7.949 10.477 9.158 545 1HG2 VAL 72 HG21 VAL 72 -10.566 9.189 7.456 546 2HG2 VAL 72 HG22 VAL 72 -10.386 10.599 8.500 547 3HG2 VAL 72 HG23 VAL 72 -11.438 9.270 8.987 548 H GLN 73 HN GLN 73 -11.578 7.417 7.741 549 HA GLN 73 HA GLN 73 -13.311 6.824 9.843 550 1HB GLN 73 HB2 GLN 73 -13.775 6.228 6.921 551 2HB GLN 73 HB1 GLN 73 -15.001 6.520 8.149 552 1HG GLN 73 HG2 GLN 73 -12.979 8.550 7.222 553 2HG GLN 73 HG1 GLN 73 -14.635 8.435 6.632 554 1HE2 GLN 73 HE21 GLN 73 -15.184 10.476 7.350 555 2HE2 GLN 73 HE22 GLN 73 -15.379 10.854 9.025 556 H GLU 74 HN GLU 74 -12.181 4.684 7.218 557 HA GLU 74 HA GLU 74 -13.364 2.344 8.202 558 1HB GLU 74 HB2 GLU 74 -12.529 2.559 5.917 559 2HB GLU 74 HB1 GLU 74 -10.877 2.611 6.518 560 1HG GLU 74 HG2 GLU 74 -11.709 0.406 5.592 561 2HG GLU 74 HG1 GLU 74 -10.920 0.365 7.164 562 H ALA 75 HN ALA 75 -10.121 3.678 8.707 563 HA ALA 75 HA ALA 75 -9.086 1.537 10.203 564 1HB ALA 75 HB1 ALA 75 -7.530 3.072 9.355 565 2HB ALA 75 HB2 ALA 75 -7.502 3.319 11.100 566 3HB ALA 75 HB3 ALA 75 -8.372 4.449 10.063 567 H LEU 76 HN LEU 76 -10.763 4.494 11.207 568 HA LEU 76 HA LEU 76 -10.583 3.857 13.999 569 1HB LEU 76 HB2 LEU 76 -11.641 6.040 12.355 570 2HB LEU 76 HB1 LEU 76 -12.581 5.725 13.797 571 HG LEU 76 HG LEU 76 -9.639 6.377 13.701 572 1HD1 LEU 76 HD11 LEU 76 -10.215 8.483 14.629 573 2HD1 LEU 76 HD12 LEU 76 -11.896 7.999 14.847 574 3HD1 LEU 76 HD13 LEU 76 -11.251 8.236 13.223 575 1HD2 LEU 76 HD21 LEU 76 -9.617 5.221 15.632 576 2HD2 LEU 76 HD22 LEU 76 -11.370 5.285 15.810 577 3HD2 LEU 76 HD23 LEU 76 -10.385 6.667 16.287 578 H GLU 77 HN GLU 77 -12.887 3.304 11.428 579 HA GLU 77 HA GLU 77 -15.111 2.657 13.060 580 1HB GLU 77 HB2 GLU 77 -14.963 3.130 10.482 581 2HB GLU 77 HB1 GLU 77 -14.713 1.394 10.374 582 1HG GLU 77 HG2 GLU 77 -16.866 1.412 11.948 583 2HG GLU 77 HG1 GLU 77 -17.130 2.931 11.093 584 H VAL 78 HN VAL 78 -12.662 0.623 11.456 585 HA VAL 78 HA VAL 78 -13.675 -1.726 12.832 586 HB VAL 78 HB VAL 78 -12.932 -1.914 10.478 587 1HG1 VAL 78 HG11 VAL 78 -10.777 -1.574 9.755 588 2HG1 VAL 78 HG12 VAL 78 -10.086 -1.799 11.361 589 3HG1 VAL 78 HG13 VAL 78 -10.929 -0.304 10.966 590 1HG2 VAL 78 HG21 VAL 78 -12.869 -3.797 12.209 591 2HG2 VAL 78 HG22 VAL 78 -11.120 -3.575 12.198 592 3HG2 VAL 78 HG23 VAL 78 -11.960 -4.028 10.715 593 H LEU 79 HN LEU 79 -10.737 0.271 12.808 594 HA LEU 79 HA LEU 79 -9.054 0.504 14.316 595 1HB LEU 79 HB2 LEU 79 -11.430 -0.171 15.888 596 2HB LEU 79 HB1 LEU 79 -9.931 -0.573 16.699 597 HG LEU 79 HG LEU 79 -9.935 2.110 15.525 598 1HD1 LEU 79 HD11 LEU 79 -11.688 3.064 16.539 599 2HD1 LEU 79 HD12 LEU 79 -11.508 2.083 17.994 600 3HD1 LEU 79 HD13 LEU 79 -12.349 1.430 16.588 601 1HD2 LEU 79 HD21 LEU 79 -9.569 1.767 18.405 602 2HD2 LEU 79 HD22 LEU 79 -8.509 2.503 17.204 603 3HD2 LEU 79 HD23 LEU 79 -8.512 0.753 17.423 604 H ASN 80 HN ASN 80 -8.154 -1.066 16.412 605 HA ASN 80 HA ASN 80 -6.901 -3.201 15.003 606 1HB ASN 80 HB2 ASN 80 -6.867 -2.280 17.869 607 2HB ASN 80 HB1 ASN 80 -6.059 -3.768 17.385 608 1HD2 ASN 80 HD21 ASN 80 -4.001 -3.097 17.749 609 2HD2 ASN 80 HD22 ASN 80 -3.225 -1.846 16.845 610 H ARG 81 HN ARG 81 -9.983 -3.073 16.085 611 HA ARG 81 HA ARG 81 -10.273 -5.542 17.446 612 1HB ARG 81 HB2 ARG 81 -12.248 -3.860 15.897 613 2HB ARG 81 HB1 ARG 81 -12.694 -5.280 16.833 614 1HG ARG 81 HG2 ARG 81 -11.264 -2.941 18.053 615 2HG ARG 81 HG1 ARG 81 -13.022 -3.022 17.931 616 1HD ARG 81 HD2 ARG 81 -13.096 -4.994 19.277 617 2HD ARG 81 HD1 ARG 81 -11.339 -5.152 19.236 618 HE ARG 81 HE ARG 81 -12.861 -3.565 21.030 619 1HH1 ARG 81 HH11 ARG 81 -9.843 -3.623 19.274 620 2HH1 ARG 81 HH12 ARG 81 -9.028 -2.587 20.396 621 1HH2 ARG 81 HH21 ARG 81 -11.789 -2.202 22.504 622 2HH2 ARG 81 HH22 ARG 81 -10.131 -1.781 22.231 623 H HIS 82 HN HIS 82 -8.789 -5.534 14.806 624 HA HIS 82 HA HIS 82 -10.381 -6.978 12.950 625 1HB HIS 82 HB2 HIS 82 -7.931 -5.661 12.900 626 2HB HIS 82 HB1 HIS 82 -7.505 -7.360 12.680 627 HD1 HIS 82 HD1 HIS 82 -6.797 -6.286 10.241 628 HD2 HIS 82 HD2 HIS 82 -10.851 -6.749 11.032 629 HE1 HIS 82 HE1 HIS 82 -7.934 -6.220 7.998 630 HE2 HIS 82 HE2 HIS 82 -10.392 -6.420 8.510 631 H MET 83 HN MET 83 -9.791 -9.192 12.198 632 HA MET 83 HA MET 83 -8.473 -10.953 14.040 633 1HB MET 83 HB2 MET 83 -11.053 -10.417 14.715 634 2HB MET 83 HB1 MET 83 -11.272 -11.810 13.666 635 1HG MET 83 HG2 MET 83 -9.128 -12.378 15.428 636 2HG MET 83 HG1 MET 83 -10.462 -11.733 16.382 637 1HE MET 83 HE1 MET 83 -10.519 -13.803 17.690 638 2HE MET 83 HE2 MET 83 -9.501 -14.937 16.802 639 3HE MET 83 HE3 MET 83 -11.174 -15.355 17.169 640 H ASN 84 HN ASN 84 -11.177 -11.344 11.751 641 HA ASN 84 HA ASN 84 -9.608 -13.349 10.320 642 1HB ASN 84 HB2 ASN 84 -12.314 -13.171 11.019 643 2HB ASN 84 HB1 ASN 84 -12.279 -12.920 9.276 644 1HD2 ASN 84 HD21 ASN 84 -11.004 -15.051 11.798 645 2HD2 ASN 84 HD22 ASN 84 -11.064 -16.495 10.851 646 H VAL 85 HN VAL 85 -10.780 -13.192 7.817 647 HA VAL 85 HA VAL 85 -10.161 -10.500 6.837 648 HB VAL 85 HB VAL 85 -8.922 -11.570 4.904 649 1HG1 VAL 85 HG11 VAL 85 -6.894 -11.294 5.953 650 2HG1 VAL 85 HG12 VAL 85 -7.426 -12.094 7.431 651 3HG1 VAL 85 HG13 VAL 85 -7.969 -10.455 7.071 652 1HG2 VAL 85 HG21 VAL 85 -8.995 -13.925 6.782 653 2HG2 VAL 85 HG22 VAL 85 -7.859 -13.774 5.442 654 3HG2 VAL 85 HG23 VAL 85 -9.592 -13.850 5.124 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 13.872 -22.675 -39.235 2 2H GLY 1 HT2 GLY 1 15.328 -23.520 -39.089 3 3H GLY 1 HT3 GLY 1 15.106 -22.439 -40.370 4 1HA GLY 1 HA1 GLY 1 16.462 -21.771 -38.233 5 2HA GLY 1 HA2 GLY 1 15.490 -20.609 -39.123 6 H SER 2 HN SER 2 13.442 -20.001 -38.297 7 HA SER 2 HA SER 2 13.271 -20.317 -35.388 8 1HB SER 2 HB2 SER 2 11.764 -18.355 -35.475 9 2HB SER 2 HB1 SER 2 13.330 -18.015 -36.211 10 HG SER 2 HG SER 2 10.870 -18.543 -37.507 11 H SER 3 HN SER 3 11.185 -20.634 -34.383 12 HA SER 3 HA SER 3 9.009 -21.624 -36.012 13 1HB SER 3 HB2 SER 3 9.877 -23.566 -33.931 14 2HB SER 3 HB1 SER 3 9.090 -23.851 -35.483 15 HG SER 3 HG SER 3 11.600 -24.191 -34.955 16 H LEU 4 HN LEU 4 10.077 -22.071 -32.636 17 HA LEU 4 HA LEU 4 7.469 -21.339 -31.659 18 1HB LEU 4 HB2 LEU 4 9.975 -22.420 -30.520 19 2HB LEU 4 HB1 LEU 4 8.995 -21.457 -29.431 20 HG LEU 4 HG LEU 4 8.542 -23.879 -29.267 21 1HD1 LEU 4 HD11 LEU 4 6.578 -23.176 -28.525 22 2HD1 LEU 4 HD12 LEU 4 5.947 -23.274 -30.169 23 3HD1 LEU 4 HD13 LEU 4 6.646 -21.765 -29.580 24 1HD2 LEU 4 HD21 LEU 4 8.362 -25.131 -31.087 25 2HD2 LEU 4 HD22 LEU 4 8.496 -23.698 -32.103 26 3HD2 LEU 4 HD23 LEU 4 6.910 -24.244 -31.557 27 H ALA 5 HN ALA 5 7.964 -19.180 -32.926 28 HA ALA 5 HA ALA 5 9.474 -17.264 -31.353 29 1HB ALA 5 HB1 ALA 5 9.197 -17.434 -33.975 30 2HB ALA 5 HB2 ALA 5 9.399 -15.879 -33.168 31 3HB ALA 5 HB3 ALA 5 7.792 -16.419 -33.654 32 H SER 6 HN SER 6 7.624 -18.122 -29.691 33 HA SER 6 HA SER 6 5.312 -16.337 -29.835 34 1HB SER 6 HB2 SER 6 5.605 -18.971 -28.972 35 2HB SER 6 HB1 SER 6 5.430 -18.045 -27.481 36 HG SER 6 HG SER 6 3.397 -18.619 -28.254 37 H GLN 7 HN GLN 7 4.624 -15.381 -27.667 38 HA GLN 7 HA GLN 7 6.644 -13.608 -26.790 39 1HB GLN 7 HB2 GLN 7 3.966 -14.214 -25.523 40 2HB GLN 7 HB1 GLN 7 4.973 -12.815 -25.178 41 1HG GLN 7 HG2 GLN 7 3.784 -11.756 -26.724 42 2HG GLN 7 HG1 GLN 7 4.681 -12.708 -27.908 43 1HE2 GLN 7 HE21 GLN 7 1.828 -11.631 -27.631 44 2HE2 GLN 7 HE22 GLN 7 0.843 -12.986 -28.052 45 H GLY 8 HN GLY 8 8.359 -14.366 -25.701 46 1HA GLY 8 HA2 GLY 8 8.191 -16.568 -23.873 47 2HA GLY 8 HA1 GLY 8 9.603 -15.563 -24.168 48 H GLN 9 HN GLN 9 10.184 -15.275 -22.046 49 HA GLN 9 HA GLN 9 8.388 -14.589 -19.975 50 1HB GLN 9 HB2 GLN 9 11.351 -14.010 -20.094 51 2HB GLN 9 HB1 GLN 9 10.356 -14.124 -18.649 52 1HG GLN 9 HG2 GLN 9 10.970 -16.377 -20.547 53 2HG GLN 9 HG1 GLN 9 11.711 -16.121 -18.969 54 1HE2 GLN 9 HE21 GLN 9 10.458 -18.480 -19.587 55 2HE2 GLN 9 HE22 GLN 9 9.012 -18.631 -18.653 56 H ASN 10 HN ASN 10 7.172 -12.809 -20.095 57 HA ASN 10 HA ASN 10 7.936 -10.437 -21.435 58 1HB ASN 10 HB2 ASN 10 5.899 -9.470 -20.313 59 2HB ASN 10 HB1 ASN 10 5.604 -10.934 -21.248 60 1HD2 ASN 10 HD21 ASN 10 4.310 -12.311 -20.301 61 2HD2 ASN 10 HD22 ASN 10 4.137 -12.554 -18.600 62 H LEU 11 HN LEU 11 8.113 -11.490 -18.094 63 HA LEU 11 HA LEU 11 8.550 -9.075 -16.807 64 1HB LEU 11 HB2 LEU 11 9.492 -11.869 -16.278 65 2HB LEU 11 HB1 LEU 11 10.045 -10.548 -15.266 66 HG LEU 11 HG LEU 11 7.219 -10.335 -15.457 67 1HD1 LEU 11 HD11 LEU 11 6.376 -12.385 -15.409 68 2HD1 LEU 11 HD12 LEU 11 7.481 -12.865 -14.123 69 3HD1 LEU 11 HD13 LEU 11 7.978 -13.006 -15.808 70 1HD2 LEU 11 HD21 LEU 11 8.292 -9.504 -13.559 71 2HD2 LEU 11 HD22 LEU 11 9.191 -10.999 -13.298 72 3HD2 LEU 11 HD23 LEU 11 7.458 -10.946 -12.978 73 H SER 12 HN SER 12 10.906 -11.205 -18.390 74 HA SER 12 HA SER 12 13.174 -9.638 -17.759 75 1HB SER 12 HB2 SER 12 12.587 -11.871 -19.651 76 2HB SER 12 HB1 SER 12 14.056 -10.929 -19.909 77 HG SER 12 HG SER 12 14.694 -12.464 -18.524 78 H THR 13 HN THR 13 10.764 -9.426 -20.255 79 HA THR 13 HA THR 13 12.218 -7.838 -22.090 80 HB THR 13 HB THR 13 9.236 -8.038 -21.622 81 HG1 THR 13 HG1 THR 13 9.594 -9.926 -22.455 82 1HG2 THR 13 HG21 THR 13 8.893 -7.173 -23.812 83 2HG2 THR 13 HG22 THR 13 10.631 -7.074 -24.102 84 3HG2 THR 13 HG23 THR 13 9.873 -6.017 -22.911 85 H VAL 14 HN VAL 14 9.458 -6.740 -20.128 86 HA VAL 14 HA VAL 14 10.442 -4.027 -20.177 87 HB VAL 14 HB VAL 14 8.022 -4.557 -20.364 88 1HG1 VAL 14 HG11 VAL 14 8.554 -5.977 -17.898 89 2HG1 VAL 14 HG12 VAL 14 7.184 -6.099 -19.000 90 3HG1 VAL 14 HG13 VAL 14 7.194 -4.865 -17.741 91 1HG2 VAL 14 HG21 VAL 14 8.919 -2.354 -19.513 92 2HG2 VAL 14 HG22 VAL 14 8.530 -2.926 -17.890 93 3HG2 VAL 14 HG23 VAL 14 7.250 -2.728 -19.086 94 H LEU 15 HN LEU 15 10.436 -2.766 -18.050 95 HA LEU 15 HA LEU 15 12.364 -3.906 -16.313 96 1HB LEU 15 HB2 LEU 15 10.909 -1.340 -16.532 97 2HB LEU 15 HB1 LEU 15 11.544 -1.739 -14.947 98 HG LEU 15 HG LEU 15 13.146 -0.374 -16.086 99 1HD1 LEU 15 HD11 LEU 15 14.733 -1.595 -15.140 100 2HD1 LEU 15 HD12 LEU 15 14.770 -2.642 -16.557 101 3HD1 LEU 15 HD13 LEU 15 13.702 -3.023 -15.207 102 1HD2 LEU 15 HD21 LEU 15 12.197 -1.222 -18.387 103 2HD2 LEU 15 HD22 LEU 15 13.541 -2.358 -18.268 104 3HD2 LEU 15 HD23 LEU 15 13.849 -0.621 -18.251 105 H ALA 16 HN ALA 16 9.514 -5.117 -16.428 106 HA ALA 16 HA ALA 16 8.356 -4.740 -13.874 107 1HB ALA 16 HB1 ALA 16 6.836 -6.407 -14.462 108 2HB ALA 16 HB2 ALA 16 7.994 -7.221 -15.512 109 3HB ALA 16 HB3 ALA 16 7.284 -5.686 -16.008 110 H ASN 17 HN ASN 17 10.009 -4.984 -12.342 111 HA ASN 17 HA ASN 17 10.883 -7.768 -11.934 112 1HB ASN 17 HB2 ASN 17 12.396 -5.194 -11.560 113 2HB ASN 17 HB1 ASN 17 12.854 -6.652 -10.683 114 1HD2 ASN 17 HD21 ASN 17 14.494 -7.628 -11.603 115 2HD2 ASN 17 HD22 ASN 17 14.772 -7.786 -13.300 116 H LEU 18 HN LEU 18 11.053 -4.833 -9.928 117 HA LEU 18 HA LEU 18 9.413 -6.224 -7.914 118 1HB LEU 18 HB2 LEU 18 11.835 -4.486 -7.445 119 2HB LEU 18 HB1 LEU 18 10.776 -5.073 -6.178 120 HG LEU 18 HG LEU 18 12.576 -6.718 -7.955 121 1HD1 LEU 18 HD11 LEU 18 13.044 -5.418 -5.542 122 2HD1 LEU 18 HD12 LEU 18 14.028 -6.684 -6.275 123 3HD1 LEU 18 HD13 LEU 18 12.782 -7.105 -5.102 124 1HD2 LEU 18 HD21 LEU 18 10.565 -7.649 -5.907 125 2HD2 LEU 18 HD22 LEU 18 11.754 -8.667 -6.718 126 3HD2 LEU 18 HD23 LEU 18 10.471 -7.899 -7.650 127 H THR 19 HN THR 19 7.833 -4.875 -9.318 128 HA THR 19 HA THR 19 7.766 -2.062 -8.651 129 HB THR 19 HB THR 19 5.848 -3.769 -10.241 130 HG1 THR 19 HG1 THR 19 6.913 -2.215 -11.882 131 1HG2 THR 19 HG21 THR 19 5.689 -0.972 -9.387 132 2HG2 THR 19 HG22 THR 19 4.428 -2.063 -9.963 133 3HG2 THR 19 HG23 THR 19 5.468 -1.232 -11.118 134 HA PRO 20 HA PRO 20 3.749 -3.471 -6.349 135 1HB PRO 20 HB2 PRO 20 3.564 -6.111 -5.696 136 2HB PRO 20 HB1 PRO 20 2.865 -5.419 -7.165 137 1HG PRO 20 HG2 PRO 20 5.426 -6.917 -6.807 138 2HG PRO 20 HG1 PRO 20 4.227 -7.041 -8.108 139 1HD PRO 20 HD2 PRO 20 6.537 -5.670 -8.385 140 2HD PRO 20 HD1 PRO 20 5.042 -5.188 -9.208 141 H GLU 21 HN GLU 21 6.879 -4.871 -5.766 142 HA GLU 21 HA GLU 21 6.485 -5.059 -2.904 143 1HB GLU 21 HB2 GLU 21 7.936 -6.648 -4.193 144 2HB GLU 21 HB1 GLU 21 9.059 -5.322 -4.464 145 1HG GLU 21 HG2 GLU 21 9.061 -5.112 -1.889 146 2HG GLU 21 HG1 GLU 21 8.395 -6.743 -1.921 147 H GLN 22 HN GLN 22 8.522 -3.129 -5.096 148 HA GLN 22 HA GLN 22 9.490 -1.422 -3.035 149 1HB GLN 22 HB2 GLN 22 9.452 -1.014 -6.030 150 2HB GLN 22 HB1 GLN 22 10.385 -0.060 -4.883 151 1HG GLN 22 HG2 GLN 22 10.717 -3.026 -5.222 152 2HG GLN 22 HG1 GLN 22 11.656 -1.831 -6.116 153 1HE2 GLN 22 HE21 GLN 22 13.008 -3.588 -4.629 154 2HE2 GLN 22 HE22 GLN 22 13.654 -2.840 -3.213 155 H GLN 23 HN GLN 23 7.192 -0.847 -5.705 156 HA GLN 23 HA GLN 23 6.454 1.734 -5.055 157 1HB GLN 23 HB2 GLN 23 5.787 0.454 -7.112 158 2HB GLN 23 HB1 GLN 23 4.566 -0.358 -6.141 159 1HG GLN 23 HG2 GLN 23 3.227 1.466 -6.043 160 2HG GLN 23 HG1 GLN 23 4.576 2.599 -6.093 161 1HE2 GLN 23 HE21 GLN 23 3.854 -0.040 -8.313 162 2HE2 GLN 23 HE22 GLN 23 3.625 0.955 -9.708 163 H LYS 24 HN LYS 24 5.008 -1.300 -3.881 164 HA LYS 24 HA LYS 24 2.988 -0.121 -2.334 165 1HB LYS 24 HB2 LYS 24 4.394 -2.767 -2.229 166 2HB LYS 24 HB1 LYS 24 3.256 -2.324 -0.967 167 1HG LYS 24 HG2 LYS 24 2.628 -2.443 -3.909 168 2HG LYS 24 HG1 LYS 24 2.219 -3.681 -2.720 169 1HD LYS 24 HD2 LYS 24 0.403 -2.563 -2.069 170 2HD LYS 24 HD1 LYS 24 1.319 -1.070 -1.863 171 1HE LYS 24 HE2 LYS 24 0.225 -2.114 -4.472 172 2HE LYS 24 HE1 LYS 24 -0.493 -0.830 -3.502 173 1HZ LYS 24 HZ1 LYS 24 2.301 -0.580 -4.379 174 2HZ LYS 24 HZ2 LYS 24 1.173 0.633 -4.040 175 3HZ LYS 24 HZ3 LYS 24 1.059 -0.249 -5.478 176 H ASN 25 HN ASN 25 6.388 -0.391 -1.815 177 HA ASN 25 HA ASN 25 6.365 -0.127 1.020 178 1HB ASN 25 HB2 ASN 25 8.274 -0.903 -0.610 179 2HB ASN 25 HB1 ASN 25 8.671 0.813 -0.641 180 1HD2 ASN 25 HD21 ASN 25 7.855 -1.724 1.703 181 2HD2 ASN 25 HD22 ASN 25 9.036 -1.257 2.874 182 H VAL 26 HN VAL 26 7.105 2.220 -1.582 183 HA VAL 26 HA VAL 26 7.395 4.455 0.048 184 HB VAL 26 HB VAL 26 7.852 4.232 -2.474 185 1HG1 VAL 26 HG11 VAL 26 6.109 5.213 -3.927 186 2HG1 VAL 26 HG12 VAL 26 4.971 5.101 -2.587 187 3HG1 VAL 26 HG13 VAL 26 5.672 3.638 -3.275 188 1HG2 VAL 26 HG21 VAL 26 7.011 6.821 -2.617 189 2HG2 VAL 26 HG22 VAL 26 8.513 6.278 -1.867 190 3HG2 VAL 26 HG23 VAL 26 7.081 6.551 -0.876 191 H LEU 27 HN LEU 27 4.496 3.176 -1.515 192 HA LEU 27 HA LEU 27 2.637 5.078 -0.874 193 1HB LEU 27 HB2 LEU 27 2.634 2.426 -1.781 194 2HB LEU 27 HB1 LEU 27 1.563 2.441 -0.397 195 HG LEU 27 HG LEU 27 0.926 4.692 -2.002 196 1HD1 LEU 27 HD11 LEU 27 2.036 2.725 -3.613 197 2HD1 LEU 27 HD12 LEU 27 1.006 4.059 -4.129 198 3HD1 LEU 27 HD13 LEU 27 0.295 2.490 -3.759 199 1HD2 LEU 27 HD21 LEU 27 -1.201 3.932 -1.718 200 2HD2 LEU 27 HD22 LEU 27 -0.401 3.012 -0.446 201 3HD2 LEU 27 HD23 LEU 27 -0.755 2.250 -1.997 202 H GLY 28 HN GLY 28 3.466 2.241 1.145 203 1HA GLY 28 HA2 GLY 28 1.832 2.926 3.316 204 2HA GLY 28 HA1 GLY 28 3.239 1.878 3.401 205 H GLU 29 HN GLU 29 5.234 3.728 2.695 206 HA GLU 29 HA GLU 29 5.736 4.934 5.182 207 1HB GLU 29 HB2 GLU 29 6.970 5.674 2.523 208 2HB GLU 29 HB1 GLU 29 7.653 5.970 4.114 209 1HG GLU 29 HG2 GLU 29 7.021 3.165 3.474 210 2HG GLU 29 HG1 GLU 29 8.339 3.900 2.561 211 H ARG 30 HN ARG 30 4.898 6.424 2.064 212 HA ARG 30 HA ARG 30 4.544 9.024 3.134 213 1HB ARG 30 HB2 ARG 30 3.299 7.963 0.594 214 2HB ARG 30 HB1 ARG 30 3.688 9.635 0.986 215 1HG ARG 30 HG2 ARG 30 5.726 7.448 0.632 216 2HG ARG 30 HG1 ARG 30 5.258 8.604 -0.615 217 1HD ARG 30 HD2 ARG 30 5.858 10.170 1.599 218 2HD ARG 30 HD1 ARG 30 7.086 8.907 1.610 219 HE ARG 30 HE ARG 30 7.805 9.626 -0.534 220 1HH1 ARG 30 HH11 ARG 30 5.365 11.706 0.871 221 2HH1 ARG 30 HH12 ARG 30 5.741 13.040 -0.162 222 1HH2 ARG 30 HH21 ARG 30 8.285 11.384 -1.889 223 2HH2 ARG 30 HH22 ARG 30 7.392 12.861 -1.727 224 H LEU 31 HN LEU 31 2.561 6.237 3.208 225 HA LEU 31 HA LEU 31 0.047 7.587 3.305 226 1HB LEU 31 HB2 LEU 31 0.934 4.935 3.094 227 2HB LEU 31 HB1 LEU 31 0.024 5.003 4.580 228 HG LEU 31 HG LEU 31 -1.554 6.341 2.738 229 1HD1 LEU 31 HD11 LEU 31 0.174 5.015 1.160 230 2HD1 LEU 31 HD12 LEU 31 -1.487 5.383 0.717 231 3HD1 LEU 31 HD13 LEU 31 -1.078 3.797 1.368 232 1HD2 LEU 31 HD21 LEU 31 -1.944 3.434 3.255 233 2HD2 LEU 31 HD22 LEU 31 -3.124 4.744 3.261 234 3HD2 LEU 31 HD23 LEU 31 -1.999 4.568 4.605 235 H TYR 32 HN TYR 32 1.840 5.749 5.766 236 HA TYR 32 HA TYR 32 0.342 6.351 7.970 237 1HB TYR 32 HB2 TYR 32 2.385 4.819 7.760 238 2HB TYR 32 HB1 TYR 32 3.362 6.254 8.043 239 HD1 TYR 32 HD1 TYR 32 1.502 3.602 9.553 240 HD2 TYR 32 HD2 TYR 32 2.985 7.533 10.219 241 HE1 TYR 32 HE1 TYR 32 1.283 3.266 11.980 242 HE2 TYR 32 HE2 TYR 32 2.768 7.212 12.647 243 HH TYR 32 HH TYR 32 2.496 5.620 14.281 244 H ASN 33 HN ASN 33 2.705 8.424 6.392 245 HA ASN 33 HA ASN 33 2.842 10.344 8.491 246 1HB ASN 33 HB2 ASN 33 4.647 10.342 6.946 247 2HB ASN 33 HB1 ASN 33 3.564 10.410 5.561 248 1HD2 ASN 33 HD21 ASN 33 2.110 12.440 5.572 249 2HD2 ASN 33 HD22 ASN 33 2.927 13.924 5.930 250 H HIS 34 HN HIS 34 0.786 9.963 5.670 251 HA HIS 34 HA HIS 34 -0.351 12.525 5.738 252 1HB HIS 34 HB2 HIS 34 -1.982 11.704 4.264 253 2HB HIS 34 HB1 HIS 34 -0.548 10.773 3.883 254 HD1 HIS 34 HD1 HIS 34 -1.301 8.480 3.287 255 HD2 HIS 34 HD2 HIS 34 -3.457 10.046 6.445 256 HE1 HIS 34 HE1 HIS 34 -2.869 6.644 4.020 257 HE2 HIS 34 HE2 HIS 34 -4.120 7.600 5.968 258 H ILE 35 HN ILE 35 -1.236 9.521 7.284 259 HA ILE 35 HA ILE 35 -3.440 10.793 8.701 260 HB ILE 35 HB ILE 35 -3.969 8.656 7.738 261 1HG1 ILE 35 HG12 ILE 35 -3.718 8.463 10.743 262 2HG1 ILE 35 HG11 ILE 35 -5.050 9.198 9.856 263 1HG2 ILE 35 HG21 ILE 35 -1.848 7.410 9.468 264 2HG2 ILE 35 HG22 ILE 35 -1.623 7.790 7.762 265 3HG2 ILE 35 HG23 ILE 35 -2.848 6.622 8.249 266 1HD1 ILE 35 HD11 ILE 35 -4.761 6.523 10.683 267 2HD1 ILE 35 HD12 ILE 35 -4.684 6.542 8.920 268 3HD1 ILE 35 HD13 ILE 35 -6.071 7.248 9.748 269 H VAL 36 HN VAL 36 -0.209 9.587 9.411 270 HA VAL 36 HA VAL 36 -0.382 9.037 12.083 271 HB VAL 36 HB VAL 36 1.741 8.879 10.836 272 1HG1 VAL 36 HG11 VAL 36 2.018 11.843 11.265 273 2HG1 VAL 36 HG12 VAL 36 1.559 11.110 9.729 274 3HG1 VAL 36 HG13 VAL 36 3.136 10.763 10.433 275 1HG2 VAL 36 HG21 VAL 36 3.089 9.137 12.687 276 2HG2 VAL 36 HG22 VAL 36 1.483 9.074 13.415 277 3HG2 VAL 36 HG23 VAL 36 2.288 10.626 13.190 278 H ALA 37 HN ALA 37 0.065 12.276 10.670 279 HA ALA 37 HA ALA 37 -0.089 13.617 13.183 280 1HB ALA 37 HB1 ALA 37 0.711 15.301 11.976 281 2HB ALA 37 HB2 ALA 37 -0.773 15.362 11.024 282 3HB ALA 37 HB3 ALA 37 0.553 14.312 10.524 283 H ILE 38 HN ILE 38 -2.401 12.386 10.966 284 HA ILE 38 HA ILE 38 -4.539 14.097 11.999 285 HB ILE 38 HB ILE 38 -5.018 11.847 10.081 286 1HG1 ILE 38 HG12 ILE 38 -3.122 12.978 9.127 287 2HG1 ILE 38 HG11 ILE 38 -4.555 13.472 8.232 288 1HG2 ILE 38 HG21 ILE 38 -7.061 12.719 10.227 289 2HG2 ILE 38 HG22 ILE 38 -6.441 14.112 9.341 290 3HG2 ILE 38 HG23 ILE 38 -6.475 14.130 11.104 291 1HD1 ILE 38 HD11 ILE 38 -2.643 15.136 9.252 292 2HD1 ILE 38 HD12 ILE 38 -3.921 15.234 10.460 293 3HD1 ILE 38 HD13 ILE 38 -4.272 15.612 8.774 294 H ASN 39 HN ASN 39 -4.268 10.562 11.505 295 HA ASN 39 HA ASN 39 -5.703 10.216 14.055 296 1HB ASN 39 HB2 ASN 39 -6.253 9.090 11.383 297 2HB ASN 39 HB1 ASN 39 -6.317 7.934 12.706 298 1HD2 ASN 39 HD21 ASN 39 -7.471 8.990 14.716 299 2HD2 ASN 39 HD22 ASN 39 -9.014 9.677 14.351 300 HA PRO 40 HA PRO 40 -1.448 8.316 14.373 301 1HB PRO 40 HB2 PRO 40 -2.262 8.727 17.210 302 2HB PRO 40 HB1 PRO 40 -0.708 9.034 16.430 303 1HG PRO 40 HG2 PRO 40 -2.357 11.040 17.040 304 2HG PRO 40 HG1 PRO 40 -1.399 11.060 15.549 305 1HD PRO 40 HD2 PRO 40 -4.306 10.534 15.930 306 2HD PRO 40 HD1 PRO 40 -3.465 11.311 14.574 307 H ALA 41 HN ALA 41 -4.523 7.627 15.945 308 HA ALA 41 HA ALA 41 -3.667 4.915 16.604 309 1HB ALA 41 HB1 ALA 41 -6.454 5.724 17.121 310 2HB ALA 41 HB2 ALA 41 -5.210 6.628 17.984 311 3HB ALA 41 HB3 ALA 41 -5.304 4.876 18.154 312 H ALA 42 HN ALA 42 -3.725 5.304 13.874 313 HA ALA 42 HA ALA 42 -5.613 3.298 13.087 314 1HB ALA 42 HB1 ALA 42 -6.024 6.137 12.287 315 2HB ALA 42 HB2 ALA 42 -7.211 4.905 12.707 316 3HB ALA 42 HB3 ALA 42 -6.404 4.858 11.139 317 H ALA 43 HN ALA 43 -3.228 5.718 12.150 318 HA ALA 43 HA ALA 43 -2.447 5.087 9.661 319 1HB ALA 43 HB1 ALA 43 -1.351 6.715 11.220 320 2HB ALA 43 HB2 ALA 43 -0.244 5.797 10.202 321 3HB ALA 43 HB3 ALA 43 -0.451 5.359 11.897 322 H ALA 44 HN ALA 44 -1.337 3.314 12.555 323 HA ALA 44 HA ALA 44 0.234 1.415 11.374 324 1HB ALA 44 HB1 ALA 44 0.172 1.551 13.737 325 2HB ALA 44 HB2 ALA 44 -0.400 -0.060 13.307 326 3HB ALA 44 HB3 ALA 44 -1.554 1.188 13.775 327 H LYS 45 HN LYS 45 -3.258 1.440 11.651 328 HA LYS 45 HA LYS 45 -3.536 -1.172 10.437 329 1HB LYS 45 HB2 LYS 45 -5.384 0.871 11.559 330 2HB LYS 45 HB1 LYS 45 -6.034 -0.220 10.342 331 1HG LYS 45 HG2 LYS 45 -4.535 -1.309 12.681 332 2HG LYS 45 HG1 LYS 45 -6.227 -0.835 12.844 333 1HD LYS 45 HD2 LYS 45 -6.844 -2.348 11.041 334 2HD LYS 45 HD1 LYS 45 -5.149 -2.788 10.813 335 1HE LYS 45 HE2 LYS 45 -5.773 -3.155 13.551 336 2HE LYS 45 HE1 LYS 45 -7.061 -3.899 12.608 337 1HZ LYS 45 HZ1 LYS 45 -4.816 -4.701 11.323 338 2HZ LYS 45 HZ2 LYS 45 -5.671 -5.622 12.455 339 3HZ LYS 45 HZ3 LYS 45 -4.327 -4.719 12.943 340 H VAL 46 HN VAL 46 -4.099 2.188 9.595 341 HA VAL 46 HA VAL 46 -5.165 1.866 7.047 342 HB VAL 46 HB VAL 46 -3.309 4.097 7.849 343 1HG1 VAL 46 HG11 VAL 46 -3.865 4.442 5.648 344 2HG1 VAL 46 HG12 VAL 46 -5.130 5.340 6.483 345 3HG1 VAL 46 HG13 VAL 46 -5.469 3.735 5.835 346 1HG2 VAL 46 HG21 VAL 46 -4.682 4.705 9.477 347 2HG2 VAL 46 HG22 VAL 46 -5.676 3.285 9.183 348 3HG2 VAL 46 HG23 VAL 46 -6.021 4.791 8.334 349 H THR 47 HN THR 47 -1.794 2.562 7.926 350 HA THR 47 HA THR 47 -0.724 2.383 5.351 351 HB THR 47 HB THR 47 0.566 1.887 8.037 352 HG1 THR 47 HG1 THR 47 -0.012 3.967 7.966 353 1HG2 THR 47 HG21 THR 47 2.405 1.252 6.986 354 2HG2 THR 47 HG22 THR 47 2.488 2.871 6.293 355 3HG2 THR 47 HG23 THR 47 1.689 1.571 5.406 356 H GLY 48 HN GLY 48 -0.855 -0.100 7.898 357 1HA GLY 48 HA2 GLY 48 0.388 -2.097 6.310 358 2HA GLY 48 HA1 GLY 48 -0.475 -2.364 7.816 359 H MET 49 HN MET 49 -2.994 -1.764 7.373 360 HA MET 49 HA MET 49 -3.875 -3.904 5.731 361 1HB MET 49 HB2 MET 49 -5.480 -1.651 6.949 362 2HB MET 49 HB1 MET 49 -6.145 -3.120 6.256 363 1HG MET 49 HG2 MET 49 -4.268 -3.070 8.603 364 2HG MET 49 HG1 MET 49 -6.024 -3.111 8.735 365 1HE MET 49 HE1 MET 49 -2.854 -4.584 7.812 366 2HE MET 49 HE2 MET 49 -3.134 -6.234 7.260 367 3HE MET 49 HE3 MET 49 -3.103 -5.873 8.987 368 H LEU 50 HN LEU 50 -4.162 -0.373 5.426 369 HA LEU 50 HA LEU 50 -5.115 0.840 3.676 370 1HB LEU 50 HB2 LEU 50 -2.726 1.102 3.564 371 2HB LEU 50 HB1 LEU 50 -2.572 -0.345 2.589 372 HG LEU 50 HG LEU 50 -3.922 0.789 0.809 373 1HD1 LEU 50 HD11 LEU 50 -4.030 2.857 2.876 374 2HD1 LEU 50 HD12 LEU 50 -5.089 2.572 1.494 375 3HD1 LEU 50 HD13 LEU 50 -3.577 3.454 1.278 376 1HD2 LEU 50 HD21 LEU 50 -2.040 2.423 0.229 377 2HD2 LEU 50 HD22 LEU 50 -1.633 0.717 0.403 378 3HD2 LEU 50 HD23 LEU 50 -1.270 1.848 1.707 379 H LEU 51 HN LEU 51 -3.758 -2.001 1.972 380 HA LEU 51 HA LEU 51 -5.708 -1.841 -0.088 381 1HB LEU 51 HB2 LEU 51 -3.671 -3.926 0.652 382 2HB LEU 51 HB1 LEU 51 -4.755 -4.118 -0.710 383 HG LEU 51 HG LEU 51 -3.734 -1.703 -1.304 384 1HD1 LEU 51 HD11 LEU 51 -1.809 -3.007 0.534 385 2HD1 LEU 51 HD12 LEU 51 -2.149 -1.297 0.271 386 3HD1 LEU 51 HD13 LEU 51 -1.171 -2.190 -0.893 387 1HD2 LEU 51 HD21 LEU 51 -2.421 -4.341 -1.937 388 2HD2 LEU 51 HD22 LEU 51 -2.255 -2.846 -2.859 389 3HD2 LEU 51 HD23 LEU 51 -3.819 -3.660 -2.772 390 H GLU 52 HN GLU 52 -7.619 -1.818 1.292 391 HA GLU 52 HA GLU 52 -8.367 -4.412 2.413 392 1HB GLU 52 HB2 GLU 52 -9.731 -1.717 2.585 393 2HB GLU 52 HB1 GLU 52 -10.272 -3.183 3.395 394 1HG GLU 52 HG2 GLU 52 -7.571 -1.954 3.852 395 2HG GLU 52 HG1 GLU 52 -8.997 -1.548 4.807 396 H MET 53 HN MET 53 -10.941 -4.666 2.167 397 HA MET 53 HA MET 53 -11.341 -5.361 -0.548 398 1HB MET 53 HB2 MET 53 -13.038 -5.387 1.911 399 2HB MET 53 HB1 MET 53 -13.808 -5.616 0.348 400 1HG MET 53 HG2 MET 53 -11.601 -7.300 1.509 401 2HG MET 53 HG1 MET 53 -13.302 -7.742 1.381 402 1HE MET 53 HE1 MET 53 -13.817 -6.751 -2.068 403 2HE MET 53 HE2 MET 53 -14.562 -7.585 -0.705 404 3HE MET 53 HE3 MET 53 -14.023 -8.500 -2.112 405 H ASP 54 HN ASP 54 -13.167 -3.024 1.455 406 HA ASP 54 HA ASP 54 -14.159 -1.748 -0.955 407 1HB ASP 54 HB2 ASP 54 -15.415 -0.311 0.669 408 2HB ASP 54 HB1 ASP 54 -15.804 -2.020 0.716 409 H ASN 55 HN ASN 55 -12.923 -0.242 2.023 410 HA ASN 55 HA ASN 55 -12.139 2.151 0.968 411 1HB ASN 55 HB2 ASN 55 -12.131 1.731 3.351 412 2HB ASN 55 HB1 ASN 55 -10.853 0.536 3.168 413 1HD2 ASN 55 HD21 ASN 55 -10.991 3.632 1.527 414 2HD2 ASN 55 HD22 ASN 55 -9.624 4.321 2.322 415 H GLY 56 HN GLY 56 -10.539 -0.939 0.703 416 1HA GLY 56 HA2 GLY 56 -7.974 -0.046 -0.005 417 2HA GLY 56 HA1 GLY 56 -8.665 -1.602 -0.433 418 H GLU 57 HN GLU 57 -10.476 -1.337 -2.214 419 HA GLU 57 HA GLU 57 -9.410 -0.919 -4.627 420 1HB GLU 57 HB2 GLU 57 -12.197 -0.003 -3.912 421 2HB GLU 57 HB1 GLU 57 -11.617 -0.414 -5.521 422 1HG GLU 57 HG2 GLU 57 -11.501 -2.415 -3.309 423 2HG GLU 57 HG1 GLU 57 -12.995 -2.144 -4.201 424 H ILE 58 HN ILE 58 -10.998 1.691 -2.800 425 HA ILE 58 HA ILE 58 -10.614 3.765 -4.602 426 HB ILE 58 HB ILE 58 -10.645 3.817 -1.584 427 1HG1 ILE 58 HG12 ILE 58 -12.916 5.054 -2.725 428 2HG1 ILE 58 HG11 ILE 58 -12.668 3.549 -3.607 429 1HG2 ILE 58 HG21 ILE 58 -11.154 6.245 -1.823 430 2HG2 ILE 58 HG22 ILE 58 -10.729 6.119 -3.530 431 3HG2 ILE 58 HG23 ILE 58 -9.512 5.808 -2.292 432 1HD1 ILE 58 HD11 ILE 58 -13.047 3.891 -0.647 433 2HD1 ILE 58 HD12 ILE 58 -12.585 2.373 -1.413 434 3HD1 ILE 58 HD13 ILE 58 -14.139 3.115 -1.794 435 H LEU 59 HN LEU 59 -8.485 2.638 -2.003 436 HA LEU 59 HA LEU 59 -6.451 4.365 -1.921 437 1HB LEU 59 HB2 LEU 59 -5.155 2.687 -1.078 438 2HB LEU 59 HB1 LEU 59 -6.735 1.946 -0.953 439 HG LEU 59 HG LEU 59 -6.139 0.972 -3.327 440 1HD1 LEU 59 HD11 LEU 59 -4.101 1.569 -4.021 441 2HD1 LEU 59 HD12 LEU 59 -3.485 0.448 -2.806 442 3HD1 LEU 59 HD13 LEU 59 -3.636 2.163 -2.427 443 1HD2 LEU 59 HD21 LEU 59 -4.869 -0.094 -0.811 444 2HD2 LEU 59 HD22 LEU 59 -5.290 -1.013 -2.256 445 3HD2 LEU 59 HD23 LEU 59 -6.557 -0.302 -1.263 446 H ASN 60 HN ASN 60 -7.087 2.164 -4.571 447 HA ASN 60 HA ASN 60 -4.772 2.267 -6.020 448 1HB ASN 60 HB2 ASN 60 -6.875 0.996 -6.580 449 2HB ASN 60 HB1 ASN 60 -7.508 2.487 -7.272 450 1HD2 ASN 60 HD21 ASN 60 -4.326 0.929 -7.369 451 2HD2 ASN 60 HD22 ASN 60 -4.210 0.885 -9.092 452 H LEU 61 HN LEU 61 -6.997 4.877 -5.483 453 HA LEU 61 HA LEU 61 -5.483 6.522 -7.401 454 1HB LEU 61 HB2 LEU 61 -8.246 7.135 -6.376 455 2HB LEU 61 HB1 LEU 61 -7.409 7.882 -7.721 456 HG LEU 61 HG LEU 61 -7.701 5.029 -8.134 457 1HD1 LEU 61 HD11 LEU 61 -10.194 6.644 -7.638 458 2HD1 LEU 61 HD12 LEU 61 -9.691 5.165 -6.819 459 3HD1 LEU 61 HD13 LEU 61 -10.163 5.115 -8.519 460 1HD2 LEU 61 HD21 LEU 61 -7.249 7.043 -9.727 461 2HD2 LEU 61 HD22 LEU 61 -9.007 7.161 -9.759 462 3HD2 LEU 61 HD23 LEU 61 -8.214 5.675 -10.281 463 H LEU 62 HN LEU 62 -4.198 6.287 -5.109 464 HA LEU 62 HA LEU 62 -4.581 7.520 -2.825 465 1HB LEU 62 HB2 LEU 62 -2.231 7.792 -4.654 466 2HB LEU 62 HB1 LEU 62 -2.226 8.557 -3.075 467 HG LEU 62 HG LEU 62 -2.922 5.682 -3.179 468 1HD1 LEU 62 HD11 LEU 62 -0.055 6.562 -3.388 469 2HD1 LEU 62 HD12 LEU 62 -1.005 5.989 -4.764 470 3HD1 LEU 62 HD13 LEU 62 -0.695 4.916 -3.398 471 1HD2 LEU 62 HD21 LEU 62 -1.441 7.530 -1.339 472 2HD2 LEU 62 HD22 LEU 62 -1.361 5.778 -1.157 473 3HD2 LEU 62 HD23 LEU 62 -2.912 6.606 -1.036 474 H ASP 63 HN ASP 63 -6.193 9.067 -2.837 475 HA ASP 63 HA ASP 63 -5.542 11.666 -4.047 476 1HB ASP 63 HB2 ASP 63 -8.073 10.226 -3.489 477 2HB ASP 63 HB1 ASP 63 -8.105 11.973 -3.298 478 H THR 64 HN THR 64 -6.313 13.613 -2.783 479 HA THR 64 HA THR 64 -5.177 13.477 -0.159 480 HB THR 64 HB THR 64 -6.733 15.839 -1.175 481 HG1 THR 64 HG1 THR 64 -5.179 16.355 -2.528 482 1HG2 THR 64 HG21 THR 64 -4.149 15.780 0.343 483 2HG2 THR 64 HG22 THR 64 -5.726 15.815 1.129 484 3HG2 THR 64 HG23 THR 64 -5.235 17.144 0.081 485 HA PRO 65 HA PRO 65 -9.651 14.213 1.321 486 1HB PRO 65 HB2 PRO 65 -11.692 14.031 -0.450 487 2HB PRO 65 HB1 PRO 65 -10.837 15.538 -0.118 488 1HG PRO 65 HG2 PRO 65 -10.609 13.705 -2.445 489 2HG PRO 65 HG1 PRO 65 -10.447 15.465 -2.376 490 1HD PRO 65 HD2 PRO 65 -8.340 13.664 -2.497 491 2HD PRO 65 HD1 PRO 65 -8.223 15.346 -1.958 492 H GLY 66 HN GLY 66 -10.351 12.134 -1.499 493 1HA GLY 66 HA2 GLY 66 -11.830 10.194 -0.282 494 2HA GLY 66 HA1 GLY 66 -10.774 9.878 -1.651 495 H LEU 67 HN LEU 67 -8.318 9.857 -0.848 496 HA LEU 67 HA LEU 67 -7.970 7.500 0.578 497 1HB LEU 67 HB2 LEU 67 -6.381 9.448 -0.711 498 2HB LEU 67 HB1 LEU 67 -5.676 9.200 0.870 499 HG LEU 67 HG LEU 67 -4.801 7.820 -1.096 500 1HD1 LEU 67 HD11 LEU 67 -3.858 6.714 0.559 501 2HD1 LEU 67 HD12 LEU 67 -5.311 5.743 0.759 502 3HD1 LEU 67 HD13 LEU 67 -5.126 7.251 1.647 503 1HD2 LEU 67 HD21 LEU 67 -7.464 7.166 -1.387 504 2HD2 LEU 67 HD22 LEU 67 -6.770 5.739 -0.622 505 3HD2 LEU 67 HD23 LEU 67 -6.101 6.338 -2.136 506 H LEU 68 HN LEU 68 -6.832 10.665 1.769 507 HA LEU 68 HA LEU 68 -6.400 9.975 4.380 508 1HB LEU 68 HB2 LEU 68 -6.905 12.461 2.958 509 2HB LEU 68 HB1 LEU 68 -7.394 12.533 4.635 510 HG LEU 68 HG LEU 68 -5.084 11.731 5.243 511 1HD1 LEU 68 HD11 LEU 68 -3.728 12.637 2.929 512 2HD1 LEU 68 HD12 LEU 68 -4.909 11.432 2.421 513 3HD1 LEU 68 HD13 LEU 68 -3.717 11.029 3.651 514 1HD2 LEU 68 HD21 LEU 68 -4.610 14.236 3.789 515 2HD2 LEU 68 HD22 LEU 68 -4.454 13.872 5.507 516 3HD2 LEU 68 HD23 LEU 68 -6.038 14.239 4.824 517 H ASP 69 HN ASP 69 -9.499 10.505 2.863 518 HA ASP 69 HA ASP 69 -10.904 10.678 5.381 519 1HB ASP 69 HB2 ASP 69 -11.648 11.831 3.258 520 2HB ASP 69 HB1 ASP 69 -12.105 10.246 2.643 521 H ALA 70 HN ALA 70 -11.073 8.358 2.658 522 HA ALA 70 HA ALA 70 -12.475 6.414 4.163 523 1HB ALA 70 HB1 ALA 70 -10.815 5.836 1.726 524 2HB ALA 70 HB2 ALA 70 -12.385 6.633 1.642 525 3HB ALA 70 HB3 ALA 70 -12.259 4.998 2.291 526 H LYS 71 HN LYS 71 -9.229 7.339 4.190 527 HA LYS 71 HA LYS 71 -8.084 4.796 4.853 528 1HB LYS 71 HB2 LYS 71 -7.118 7.634 4.878 529 2HB LYS 71 HB1 LYS 71 -6.136 6.342 5.553 530 1HG LYS 71 HG2 LYS 71 -7.128 6.477 2.711 531 2HG LYS 71 HG1 LYS 71 -5.505 6.886 3.258 532 1HD LYS 71 HD2 LYS 71 -5.100 4.749 2.633 533 2HD LYS 71 HD1 LYS 71 -5.684 4.417 4.256 534 1HE LYS 71 HE2 LYS 71 -6.710 2.939 2.595 535 2HE LYS 71 HE1 LYS 71 -7.904 3.954 3.397 536 1HZ LYS 71 HZ1 LYS 71 -8.123 5.296 1.512 537 2HZ LYS 71 HZ2 LYS 71 -8.086 3.719 0.905 538 3HZ LYS 71 HZ3 LYS 71 -6.714 4.695 0.802 539 H VAL 72 HN VAL 72 -8.668 7.791 6.682 540 HA VAL 72 HA VAL 72 -7.999 6.681 9.199 541 HB VAL 72 HB VAL 72 -9.156 8.661 10.158 542 1HG1 VAL 72 HG11 VAL 72 -6.840 8.588 8.563 543 2HG1 VAL 72 HG12 VAL 72 -7.239 9.732 9.845 544 3HG1 VAL 72 HG13 VAL 72 -7.670 10.094 8.174 545 1HG2 VAL 72 HG21 VAL 72 -10.969 8.942 8.612 546 2HG2 VAL 72 HG22 VAL 72 -9.851 9.206 7.276 547 3HG2 VAL 72 HG23 VAL 72 -9.974 10.397 8.570 548 H GLN 73 HN GLN 73 -11.106 7.235 7.581 549 HA GLN 73 HA GLN 73 -12.748 6.350 9.664 550 1HB GLN 73 HB2 GLN 73 -13.315 6.189 6.704 551 2HB GLN 73 HB1 GLN 73 -14.502 6.211 8.005 552 1HG GLN 73 HG2 GLN 73 -12.630 8.444 7.251 553 2HG GLN 73 HG1 GLN 73 -14.369 8.385 6.958 554 1HE2 GLN 73 HE21 GLN 73 -15.773 8.775 8.639 555 2HE2 GLN 73 HE22 GLN 73 -15.263 9.401 10.164 556 H GLU 74 HN GLU 74 -11.691 4.540 6.755 557 HA GLU 74 HA GLU 74 -12.894 2.127 7.359 558 1HB GLU 74 HB2 GLU 74 -11.853 2.437 5.217 559 2HB GLU 74 HB1 GLU 74 -10.272 2.656 5.957 560 1HG GLU 74 HG2 GLU 74 -11.730 0.104 6.420 561 2HG GLU 74 HG1 GLU 74 -10.951 0.371 4.867 562 H ALA 75 HN ALA 75 -9.803 3.390 8.505 563 HA ALA 75 HA ALA 75 -9.124 0.976 9.905 564 1HB ALA 75 HB1 ALA 75 -7.927 3.731 9.868 565 2HB ALA 75 HB2 ALA 75 -7.306 2.255 9.126 566 3HB ALA 75 HB3 ALA 75 -7.305 2.428 10.882 567 H LEU 76 HN LEU 76 -10.595 4.067 10.726 568 HA LEU 76 HA LEU 76 -10.516 3.615 13.548 569 1HB LEU 76 HB2 LEU 76 -11.315 5.727 11.780 570 2HB LEU 76 HB1 LEU 76 -12.592 5.434 12.932 571 HG LEU 76 HG LEU 76 -9.739 6.188 13.535 572 1HD1 LEU 76 HD11 LEU 76 -10.576 8.241 13.351 573 2HD1 LEU 76 HD12 LEU 76 -11.484 7.903 14.825 574 3HD1 LEU 76 HD13 LEU 76 -12.231 7.640 13.250 575 1HD2 LEU 76 HD21 LEU 76 -10.905 4.463 15.103 576 2HD2 LEU 76 HD22 LEU 76 -11.835 5.859 15.639 577 3HD2 LEU 76 HD23 LEU 76 -10.080 5.857 15.795 578 H GLU 77 HN GLU 77 -12.783 2.979 10.965 579 HA GLU 77 HA GLU 77 -14.970 2.270 12.665 580 1HB GLU 77 HB2 GLU 77 -14.711 2.841 9.993 581 2HB GLU 77 HB1 GLU 77 -14.942 1.098 9.971 582 1HG GLU 77 HG2 GLU 77 -17.111 1.662 9.925 583 2HG GLU 77 HG1 GLU 77 -16.899 1.802 11.669 584 H VAL 78 HN VAL 78 -12.373 0.533 11.041 585 HA VAL 78 HA VAL 78 -13.384 -2.042 11.910 586 HB VAL 78 HB VAL 78 -12.262 -1.793 9.705 587 1HG1 VAL 78 HG11 VAL 78 -10.524 -0.169 10.676 588 2HG1 VAL 78 HG12 VAL 78 -9.989 -1.331 9.465 589 3HG1 VAL 78 HG13 VAL 78 -9.652 -1.619 11.172 590 1HG2 VAL 78 HG21 VAL 78 -11.802 -3.800 11.700 591 2HG2 VAL 78 HG22 VAL 78 -10.390 -3.668 10.651 592 3HG2 VAL 78 HG23 VAL 78 -11.980 -3.983 9.955 593 H LEU 79 HN LEU 79 -10.660 0.107 12.626 594 HA LEU 79 HA LEU 79 -9.156 0.162 14.339 595 1HB LEU 79 HB2 LEU 79 -11.722 -0.177 15.419 596 2HB LEU 79 HB1 LEU 79 -10.696 -1.282 16.311 597 HG LEU 79 HG LEU 79 -9.405 1.284 16.081 598 1HD1 LEU 79 HD11 LEU 79 -11.054 2.733 16.368 599 2HD1 LEU 79 HD12 LEU 79 -11.475 1.933 17.881 600 3HD1 LEU 79 HD13 LEU 79 -12.243 1.431 16.376 601 1HD2 LEU 79 HD21 LEU 79 -9.944 -0.782 18.036 602 2HD2 LEU 79 HD22 LEU 79 -10.104 0.832 18.730 603 3HD2 LEU 79 HD23 LEU 79 -8.601 0.358 17.938 604 H ASN 80 HN ASN 80 -8.422 -1.466 16.364 605 HA ASN 80 HA ASN 80 -7.001 -3.511 15.079 606 1HB ASN 80 HB2 ASN 80 -7.483 -2.748 17.927 607 2HB ASN 80 HB1 ASN 80 -6.763 -4.319 17.591 608 1HD2 ASN 80 HD21 ASN 80 -4.648 -4.405 17.333 609 2HD2 ASN 80 HD22 ASN 80 -3.611 -3.055 17.039 610 H ARG 81 HN ARG 81 -10.254 -3.491 15.651 611 HA ARG 81 HA ARG 81 -10.742 -6.087 16.640 612 1HB ARG 81 HB2 ARG 81 -12.523 -4.535 14.763 613 2HB ARG 81 HB1 ARG 81 -13.004 -5.766 15.921 614 1HG ARG 81 HG2 ARG 81 -12.727 -4.339 17.739 615 2HG ARG 81 HG1 ARG 81 -11.709 -3.222 16.830 616 1HD ARG 81 HD2 ARG 81 -13.471 -2.102 16.009 617 2HD ARG 81 HD1 ARG 81 -14.383 -3.576 15.702 618 HE ARG 81 HE ARG 81 -15.188 -3.505 17.934 619 1HH1 ARG 81 HH11 ARG 81 -13.315 -0.682 17.059 620 2HH1 ARG 81 HH12 ARG 81 -13.964 0.288 18.333 621 1HH2 ARG 81 HH21 ARG 81 -16.030 -2.221 19.608 622 2HH2 ARG 81 HH22 ARG 81 -15.499 -0.582 19.779 623 H HIS 82 HN HIS 82 -8.850 -5.670 14.220 624 HA HIS 82 HA HIS 82 -10.039 -7.077 12.055 625 1HB HIS 82 HB2 HIS 82 -7.614 -5.667 12.582 626 2HB HIS 82 HB1 HIS 82 -7.194 -7.264 11.964 627 HD1 HIS 82 HD1 HIS 82 -7.860 -3.996 10.800 628 HD2 HIS 82 HD2 HIS 82 -8.878 -7.801 9.480 629 HE1 HIS 82 HE1 HIS 82 -8.476 -3.722 8.380 630 HE2 HIS 82 HE2 HIS 82 -9.124 -6.033 7.606 631 H MET 83 HN MET 83 -10.884 -8.896 13.283 632 HA MET 83 HA MET 83 -9.157 -11.159 13.092 633 1HB MET 83 HB2 MET 83 -8.787 -9.912 15.420 634 2HB MET 83 HB1 MET 83 -10.212 -10.846 15.856 635 1HG MET 83 HG2 MET 83 -8.909 -12.582 16.256 636 2HG MET 83 HG1 MET 83 -8.485 -12.624 14.546 637 1HE MET 83 HE1 MET 83 -6.036 -10.666 13.788 638 2HE MET 83 HE2 MET 83 -6.560 -12.340 13.606 639 3HE MET 83 HE3 MET 83 -4.996 -11.981 14.335 640 H ASN 84 HN ASN 84 -10.308 -13.179 13.827 641 HA ASN 84 HA ASN 84 -13.007 -13.088 12.827 642 1HB ASN 84 HB2 ASN 84 -11.141 -15.284 13.675 643 2HB ASN 84 HB1 ASN 84 -12.845 -15.619 13.382 644 1HD2 ASN 84 HD21 ASN 84 -10.259 -13.748 11.813 645 2HD2 ASN 84 HD22 ASN 84 -10.552 -14.362 10.225 646 H VAL 85 HN VAL 85 -11.414 -13.523 15.923 647 HA VAL 85 HA VAL 85 -14.043 -13.797 17.218 648 HB VAL 85 HB VAL 85 -11.357 -14.378 18.465 649 1HG1 VAL 85 HG11 VAL 85 -12.857 -15.751 19.998 650 2HG1 VAL 85 HG12 VAL 85 -14.206 -14.863 19.288 651 3HG1 VAL 85 HG13 VAL 85 -12.941 -13.996 20.159 652 1HG2 VAL 85 HG21 VAL 85 -11.431 -16.556 17.796 653 2HG2 VAL 85 HG22 VAL 85 -12.217 -15.811 16.406 654 3HG2 VAL 85 HG23 VAL 85 -13.190 -16.573 17.663 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 24.094 -2.641 -47.633 2 2H GLY 1 HT2 GLY 1 23.777 -3.636 -46.301 3 3H GLY 1 HT3 GLY 1 23.289 -2.016 -46.281 4 1HA GLY 1 HA1 GLY 1 21.688 -2.391 -48.003 5 2HA GLY 1 HA2 GLY 1 22.266 -4.038 -48.196 6 H SER 2 HN SER 2 22.403 -3.454 -44.964 7 HA SER 2 HA SER 2 19.619 -3.804 -44.325 8 1HB SER 2 HB2 SER 2 21.482 -6.109 -44.449 9 2HB SER 2 HB1 SER 2 20.443 -6.022 -43.027 10 HG SER 2 HG SER 2 19.007 -6.874 -44.297 11 H SER 3 HN SER 3 19.218 -3.804 -42.034 12 HA SER 3 HA SER 3 21.400 -2.519 -40.547 13 1HB SER 3 HB2 SER 3 19.679 -1.013 -40.364 14 2HB SER 3 HB1 SER 3 18.436 -2.253 -40.528 15 HG SER 3 HG SER 3 18.587 -2.710 -38.415 16 H LEU 4 HN LEU 4 22.400 -3.639 -39.011 17 HA LEU 4 HA LEU 4 21.376 -6.221 -38.196 18 1HB LEU 4 HB2 LEU 4 23.860 -4.877 -37.166 19 2HB LEU 4 HB1 LEU 4 23.493 -6.590 -37.195 20 HG LEU 4 HG LEU 4 23.462 -5.555 -39.880 21 1HD1 LEU 4 HD11 LEU 4 26.234 -5.393 -38.995 22 2HD1 LEU 4 HD12 LEU 4 25.221 -4.103 -38.352 23 3HD1 LEU 4 HD13 LEU 4 25.331 -4.352 -40.094 24 1HD2 LEU 4 HD21 LEU 4 23.779 -7.838 -39.631 25 2HD2 LEU 4 HD22 LEU 4 24.954 -7.637 -38.330 26 3HD2 LEU 4 HD23 LEU 4 25.405 -7.257 -39.993 27 H ALA 5 HN ALA 5 20.023 -3.700 -37.294 28 HA ALA 5 HA ALA 5 20.537 -3.135 -34.621 29 1HB ALA 5 HB1 ALA 5 17.745 -2.953 -34.988 30 2HB ALA 5 HB2 ALA 5 18.500 -2.530 -36.523 31 3HB ALA 5 HB3 ALA 5 18.941 -1.658 -35.057 32 H SER 6 HN SER 6 20.917 -4.869 -33.318 33 HA SER 6 HA SER 6 18.753 -6.843 -33.028 34 1HB SER 6 HB2 SER 6 21.711 -7.000 -32.781 35 2HB SER 6 HB1 SER 6 20.770 -7.969 -31.646 36 HG SER 6 HG SER 6 20.812 -8.089 -34.466 37 H GLN 7 HN GLN 7 21.256 -5.321 -30.995 38 HA GLN 7 HA GLN 7 19.706 -5.638 -28.611 39 1HB GLN 7 HB2 GLN 7 22.387 -5.002 -29.259 40 2HB GLN 7 HB1 GLN 7 21.764 -3.659 -28.310 41 1HG GLN 7 HG2 GLN 7 22.257 -4.865 -26.517 42 2HG GLN 7 HG1 GLN 7 20.879 -5.880 -26.939 43 1HE2 GLN 7 HE21 GLN 7 23.590 -6.375 -25.687 44 2HE2 GLN 7 HE22 GLN 7 24.231 -7.705 -26.585 45 H GLY 8 HN GLY 8 17.832 -4.528 -28.517 46 1HA GLY 8 HA2 GLY 8 17.788 -1.735 -29.400 47 2HA GLY 8 HA1 GLY 8 16.383 -2.727 -29.049 48 H GLN 9 HN GLN 9 15.308 -1.963 -27.378 49 HA GLN 9 HA GLN 9 16.561 -0.311 -25.391 50 1HB GLN 9 HB2 GLN 9 14.263 -0.262 -24.391 51 2HB GLN 9 HB1 GLN 9 14.340 0.274 -26.058 52 1HG GLN 9 HG2 GLN 9 13.491 -1.876 -26.806 53 2HG GLN 9 HG1 GLN 9 13.456 -2.453 -25.142 54 1HE2 GLN 9 HE21 GLN 9 11.335 -2.039 -27.199 55 2HE2 GLN 9 HE22 GLN 9 10.145 -1.062 -26.416 56 H ASN 10 HN ASN 10 18.094 -2.030 -24.726 57 HA ASN 10 HA ASN 10 17.191 -4.335 -23.364 58 1HB ASN 10 HB2 ASN 10 19.458 -4.063 -24.381 59 2HB ASN 10 HB1 ASN 10 19.870 -2.973 -23.064 60 1HD2 ASN 10 HD21 ASN 10 21.464 -5.031 -23.323 61 2HD2 ASN 10 HD22 ASN 10 21.172 -6.241 -22.127 62 H LEU 11 HN LEU 11 19.232 -1.964 -21.717 63 HA LEU 11 HA LEU 11 18.298 -2.461 -19.169 64 1HB LEU 11 HB2 LEU 11 18.987 0.095 -18.843 65 2HB LEU 11 HB1 LEU 11 20.168 -1.186 -19.027 66 HG LEU 11 HG LEU 11 19.344 -0.013 -21.580 67 1HD1 LEU 11 HD11 LEU 11 21.016 1.970 -20.914 68 2HD1 LEU 11 HD12 LEU 11 20.210 1.735 -19.362 69 3HD1 LEU 11 HD13 LEU 11 19.261 2.106 -20.801 70 1HD2 LEU 11 HD21 LEU 11 21.652 -1.204 -20.324 71 2HD2 LEU 11 HD22 LEU 11 22.088 0.290 -21.153 72 3HD2 LEU 11 HD23 LEU 11 21.282 -1.006 -22.036 73 H SER 12 HN SER 12 16.916 -0.411 -21.634 74 HA SER 12 HA SER 12 15.185 1.132 -20.079 75 1HB SER 12 HB2 SER 12 15.132 0.184 -22.924 76 2HB SER 12 HB1 SER 12 13.762 1.076 -22.267 77 HG SER 12 HG SER 12 15.161 2.787 -21.803 78 H THR 13 HN THR 13 14.862 -2.155 -21.302 79 HA THR 13 HA THR 13 12.141 -2.362 -20.285 80 HB THR 13 HB THR 13 13.806 -4.519 -21.582 81 HG1 THR 13 HG1 THR 13 12.072 -3.573 -23.299 82 1HG2 THR 13 HG21 THR 13 11.619 -5.094 -20.367 83 2HG2 THR 13 HG22 THR 13 11.845 -5.678 -22.012 84 3HG2 THR 13 HG23 THR 13 10.828 -4.268 -21.708 85 H VAL 14 HN VAL 14 15.148 -2.598 -18.955 86 HA VAL 14 HA VAL 14 14.675 -4.928 -17.308 87 HB VAL 14 HB VAL 14 16.896 -2.880 -17.191 88 1HG1 VAL 14 HG11 VAL 14 17.102 -3.810 -15.125 89 2HG1 VAL 14 HG12 VAL 14 17.974 -5.026 -16.058 90 3HG1 VAL 14 HG13 VAL 14 16.296 -5.306 -15.595 91 1HG2 VAL 14 HG21 VAL 14 18.200 -4.343 -18.478 92 2HG2 VAL 14 HG22 VAL 14 16.629 -4.322 -19.283 93 3HG2 VAL 14 HG23 VAL 14 17.074 -5.682 -18.251 94 H LEU 15 HN LEU 15 13.182 -2.126 -17.242 95 HA LEU 15 HA LEU 15 13.525 -1.347 -14.489 96 1HB LEU 15 HB2 LEU 15 12.801 0.085 -16.570 97 2HB LEU 15 HB1 LEU 15 11.200 -0.509 -16.174 98 HG LEU 15 HG LEU 15 11.583 0.417 -13.833 99 1HD1 LEU 15 HD11 LEU 15 14.086 0.623 -14.229 100 2HD1 LEU 15 HD12 LEU 15 13.283 1.991 -13.459 101 3HD1 LEU 15 HD13 LEU 15 13.706 2.067 -15.170 102 1HD2 LEU 15 HD21 LEU 15 10.971 1.814 -16.321 103 2HD2 LEU 15 HD22 LEU 15 11.491 2.886 -15.020 104 3HD2 LEU 15 HD23 LEU 15 10.114 1.812 -14.779 105 H ALA 16 HN ALA 16 11.422 -3.406 -16.346 106 HA ALA 16 HA ALA 16 9.380 -3.657 -14.364 107 1HB ALA 16 HB1 ALA 16 9.753 -4.468 -17.045 108 2HB ALA 16 HB2 ALA 16 8.289 -4.568 -16.068 109 3HB ALA 16 HB3 ALA 16 9.420 -5.920 -16.100 110 H ASN 17 HN ASN 17 10.978 -4.020 -12.588 111 HA ASN 17 HA ASN 17 11.547 -6.898 -12.324 112 1HB ASN 17 HB2 ASN 17 13.487 -5.008 -12.499 113 2HB ASN 17 HB1 ASN 17 13.226 -5.034 -10.757 114 1HD2 ASN 17 HD21 ASN 17 13.502 -7.353 -13.433 115 2HD2 ASN 17 HD22 ASN 17 14.552 -8.444 -12.600 116 H LEU 18 HN LEU 18 11.583 -4.033 -10.216 117 HA LEU 18 HA LEU 18 9.720 -5.438 -8.416 118 1HB LEU 18 HB2 LEU 18 11.940 -3.588 -7.549 119 2HB LEU 18 HB1 LEU 18 10.867 -4.506 -6.509 120 HG LEU 18 HG LEU 18 12.045 -6.461 -8.073 121 1HD1 LEU 18 HD11 LEU 18 13.809 -4.135 -7.913 122 2HD1 LEU 18 HD12 LEU 18 13.878 -5.545 -8.968 123 3HD1 LEU 18 HD13 LEU 18 14.538 -5.634 -7.336 124 1HD2 LEU 18 HD21 LEU 18 12.575 -7.315 -6.067 125 2HD2 LEU 18 HD22 LEU 18 11.683 -5.935 -5.425 126 3HD2 LEU 18 HD23 LEU 18 13.440 -5.864 -5.564 127 H THR 19 HN THR 19 8.129 -4.202 -9.727 128 HA THR 19 HA THR 19 8.048 -1.346 -9.156 129 HB THR 19 HB THR 19 6.422 -3.109 -10.984 130 HG1 THR 19 HG1 THR 19 8.042 -2.571 -12.191 131 1HG2 THR 19 HG21 THR 19 5.518 -0.888 -11.843 132 2HG2 THR 19 HG22 THR 19 5.982 -0.237 -10.271 133 3HG2 THR 19 HG23 THR 19 4.806 -1.547 -10.371 134 HA PRO 20 HA PRO 20 3.843 -2.710 -7.216 135 1HB PRO 20 HB2 PRO 20 3.411 -5.371 -6.855 136 2HB PRO 20 HB1 PRO 20 2.900 -4.497 -8.304 137 1HG PRO 20 HG2 PRO 20 5.323 -6.201 -7.875 138 2HG PRO 20 HG1 PRO 20 4.225 -6.147 -9.267 139 1HD PRO 20 HD2 PRO 20 6.617 -4.910 -9.277 140 2HD PRO 20 HD1 PRO 20 5.209 -4.250 -10.132 141 H GLU 21 HN GLU 21 6.826 -4.367 -6.571 142 HA GLU 21 HA GLU 21 6.209 -4.844 -3.783 143 1HB GLU 21 HB2 GLU 21 7.668 -6.373 -5.116 144 2HB GLU 21 HB1 GLU 21 8.864 -5.086 -5.207 145 1HG GLU 21 HG2 GLU 21 9.196 -5.136 -2.843 146 2HG GLU 21 HG1 GLU 21 7.853 -6.254 -2.628 147 H GLN 22 HN GLN 22 8.380 -2.734 -5.642 148 HA GLN 22 HA GLN 22 9.370 -1.346 -3.366 149 1HB GLN 22 HB2 GLN 22 9.346 -0.569 -6.288 150 2HB GLN 22 HB1 GLN 22 10.239 0.280 -5.034 151 1HG GLN 22 HG2 GLN 22 10.651 -2.624 -5.689 152 2HG GLN 22 HG1 GLN 22 11.576 -1.315 -6.424 153 1HE2 GLN 22 HE21 GLN 22 13.142 -2.963 -5.273 154 2HE2 GLN 22 HE22 GLN 22 13.665 -2.456 -3.706 155 H GLN 23 HN GLN 23 7.063 -0.414 -5.913 156 HA GLN 23 HA GLN 23 6.323 2.066 -4.988 157 1HB GLN 23 HB2 GLN 23 5.565 0.929 -7.115 158 2HB GLN 23 HB1 GLN 23 4.373 0.073 -6.147 159 1HG GLN 23 HG2 GLN 23 2.991 1.798 -6.201 160 2HG GLN 23 HG1 GLN 23 4.244 2.895 -5.625 161 1HE2 GLN 23 HE21 GLN 23 5.915 3.421 -7.390 162 2HE2 GLN 23 HE22 GLN 23 5.261 3.842 -8.930 163 H LYS 24 HN LYS 24 4.824 -1.047 -4.100 164 HA LYS 24 HA LYS 24 2.897 -0.087 -2.354 165 1HB LYS 24 HB2 LYS 24 4.200 -2.641 -2.860 166 2HB LYS 24 HB1 LYS 24 3.745 -2.451 -1.175 167 1HG LYS 24 HG2 LYS 24 1.732 -1.773 -3.246 168 2HG LYS 24 HG1 LYS 24 2.097 -3.475 -2.957 169 1HD LYS 24 HD2 LYS 24 0.666 -3.392 -1.252 170 2HD LYS 24 HD1 LYS 24 1.838 -2.374 -0.415 171 1HE LYS 24 HE2 LYS 24 0.215 -0.899 -2.332 172 2HE LYS 24 HE1 LYS 24 -0.748 -1.678 -1.076 173 1HZ LYS 24 HZ1 LYS 24 1.181 0.492 -0.863 174 2HZ LYS 24 HZ2 LYS 24 1.168 -0.627 0.406 175 3HZ LYS 24 HZ3 LYS 24 -0.241 0.216 0.008 176 H ASN 25 HN ASN 25 6.279 -0.904 -1.702 177 HA ASN 25 HA ASN 25 6.276 -0.560 1.057 178 1HB ASN 25 HB2 ASN 25 8.233 -0.877 -1.013 179 2HB ASN 25 HB1 ASN 25 8.775 0.374 0.101 180 1HD2 ASN 25 HD21 ASN 25 10.176 -1.933 -0.115 181 2HD2 ASN 25 HD22 ASN 25 9.992 -2.881 1.317 182 H VAL 26 HN VAL 26 7.190 1.861 -1.418 183 HA VAL 26 HA VAL 26 7.598 3.975 0.361 184 HB VAL 26 HB VAL 26 8.153 3.850 -2.151 185 1HG1 VAL 26 HG11 VAL 26 5.961 3.494 -3.059 186 2HG1 VAL 26 HG12 VAL 26 6.563 5.053 -3.609 187 3HG1 VAL 26 HG13 VAL 26 5.365 4.979 -2.321 188 1HG2 VAL 26 HG21 VAL 26 8.707 6.039 -2.057 189 2HG2 VAL 26 HG22 VAL 26 8.193 5.856 -0.380 190 3HG2 VAL 26 HG23 VAL 26 7.088 6.538 -1.572 191 H LEU 27 HN LEU 27 4.679 2.990 -1.375 192 HA LEU 27 HA LEU 27 2.976 5.055 -0.708 193 1HB LEU 27 HB2 LEU 27 2.323 2.114 -0.874 194 2HB LEU 27 HB1 LEU 27 1.134 3.401 -0.865 195 HG LEU 27 HG LEU 27 3.206 2.910 -3.000 196 1HD1 LEU 27 HD11 LEU 27 0.838 2.773 -4.244 197 2HD1 LEU 27 HD12 LEU 27 0.381 2.155 -2.655 198 3HD1 LEU 27 HD13 LEU 27 1.667 1.370 -3.571 199 1HD2 LEU 27 HD21 LEU 27 2.997 5.092 -3.412 200 2HD2 LEU 27 HD22 LEU 27 1.597 5.252 -2.350 201 3HD2 LEU 27 HD23 LEU 27 1.387 4.689 -4.009 202 H GLY 28 HN GLY 28 3.546 2.072 1.168 203 1HA GLY 28 HA2 GLY 28 1.848 2.707 3.307 204 2HA GLY 28 HA1 GLY 28 3.205 1.596 3.386 205 H GLU 29 HN GLU 29 5.246 3.519 2.762 206 HA GLU 29 HA GLU 29 5.711 4.543 5.369 207 1HB GLU 29 HB2 GLU 29 7.102 4.739 2.730 208 2HB GLU 29 HB1 GLU 29 7.561 5.857 4.007 209 1HG GLU 29 HG2 GLU 29 7.446 2.931 4.571 210 2HG GLU 29 HG1 GLU 29 8.829 3.612 3.718 211 H ARG 30 HN ARG 30 5.058 6.154 2.266 212 HA ARG 30 HA ARG 30 4.811 8.750 3.381 213 1HB ARG 30 HB2 ARG 30 3.647 7.747 0.777 214 2HB ARG 30 HB1 ARG 30 3.985 9.417 1.207 215 1HG ARG 30 HG2 ARG 30 6.172 7.378 1.120 216 2HG ARG 30 HG1 ARG 30 5.619 8.193 -0.343 217 1HD ARG 30 HD2 ARG 30 6.680 9.521 2.147 218 2HD ARG 30 HD1 ARG 30 7.542 9.339 0.622 219 HE ARG 30 HE ARG 30 5.768 10.778 -0.362 220 1HH1 ARG 30 HH11 ARG 30 6.421 10.942 3.073 221 2HH1 ARG 30 HH12 ARG 30 5.827 12.559 3.226 222 1HH2 ARG 30 HH21 ARG 30 4.990 12.900 -0.146 223 2HH2 ARG 30 HH22 ARG 30 5.016 13.669 1.406 224 H LEU 31 HN LEU 31 2.721 6.064 3.380 225 HA LEU 31 HA LEU 31 0.244 7.500 3.397 226 1HB LEU 31 HB2 LEU 31 1.091 4.817 3.213 227 2HB LEU 31 HB1 LEU 31 0.065 4.916 4.619 228 HG LEU 31 HG LEU 31 -1.226 6.310 2.507 229 1HD1 LEU 31 HD11 LEU 31 -0.126 3.620 1.744 230 2HD1 LEU 31 HD12 LEU 31 0.042 5.147 0.879 231 3HD1 LEU 31 HD13 LEU 31 -1.531 4.348 0.962 232 1HD2 LEU 31 HD21 LEU 31 -1.924 3.590 3.570 233 2HD2 LEU 31 HD22 LEU 31 -3.009 4.856 2.991 234 3HD2 LEU 31 HD23 LEU 31 -2.147 5.060 4.517 235 H TYR 32 HN TYR 32 1.872 5.542 5.877 236 HA TYR 32 HA TYR 32 0.319 6.170 8.046 237 1HB TYR 32 HB2 TYR 32 2.281 4.527 7.839 238 2HB TYR 32 HB1 TYR 32 3.324 5.891 8.206 239 HD1 TYR 32 HD1 TYR 32 3.147 7.001 10.440 240 HD2 TYR 32 HD2 TYR 32 1.097 3.382 9.550 241 HE1 TYR 32 HE1 TYR 32 2.874 6.571 12.845 242 HE2 TYR 32 HE2 TYR 32 0.814 2.947 11.953 243 HH TYR 32 HH TYR 32 0.844 4.865 14.193 244 H ASN 33 HN ASN 33 2.884 8.086 6.611 245 HA ASN 33 HA ASN 33 3.169 9.971 8.693 246 1HB ASN 33 HB2 ASN 33 4.882 9.866 7.042 247 2HB ASN 33 HB1 ASN 33 3.728 10.073 5.730 248 1HD2 ASN 33 HD21 ASN 33 2.497 12.192 5.795 249 2HD2 ASN 33 HD22 ASN 33 3.424 13.599 6.194 250 H HIS 34 HN HIS 34 1.066 9.904 5.854 251 HA HIS 34 HA HIS 34 0.069 12.509 6.151 252 1HB HIS 34 HB2 HIS 34 -1.590 11.912 4.593 253 2HB HIS 34 HB1 HIS 34 -0.184 10.973 4.132 254 HD1 HIS 34 HD1 HIS 34 -0.966 8.750 3.338 255 HD2 HIS 34 HD2 HIS 34 -3.199 10.127 6.536 256 HE1 HIS 34 HE1 HIS 34 -2.619 6.916 3.852 257 HE2 HIS 34 HE2 HIS 34 -3.919 7.752 5.831 258 H ILE 35 HN ILE 35 -1.002 9.436 7.396 259 HA ILE 35 HA ILE 35 -3.160 10.689 8.896 260 HB ILE 35 HB ILE 35 -3.912 8.781 7.768 261 1HG1 ILE 35 HG12 ILE 35 -3.364 7.787 10.567 262 2HG1 ILE 35 HG11 ILE 35 -4.625 8.947 10.159 263 1HG2 ILE 35 HG21 ILE 35 -1.534 7.300 8.866 264 2HG2 ILE 35 HG22 ILE 35 -1.815 7.766 7.190 265 3HG2 ILE 35 HG23 ILE 35 -2.852 6.567 7.952 266 1HD1 ILE 35 HD11 ILE 35 -5.975 7.373 9.294 267 2HD1 ILE 35 HD12 ILE 35 -5.022 6.306 10.323 268 3HD1 ILE 35 HD13 ILE 35 -4.639 6.448 8.611 269 H VAL 36 HN VAL 36 0.065 9.672 9.538 270 HA VAL 36 HA VAL 36 -0.286 8.743 12.175 271 HB VAL 36 HB VAL 36 1.838 8.447 10.919 272 1HG1 VAL 36 HG11 VAL 36 1.942 10.789 10.050 273 2HG1 VAL 36 HG12 VAL 36 3.450 10.189 10.736 274 3HG1 VAL 36 HG13 VAL 36 2.440 11.299 11.663 275 1HG2 VAL 36 HG21 VAL 36 3.269 8.610 12.825 276 2HG2 VAL 36 HG22 VAL 36 1.647 8.194 13.388 277 3HG2 VAL 36 HG23 VAL 36 2.241 9.847 13.549 278 H ALA 37 HN ALA 37 0.528 12.008 10.977 279 HA ALA 37 HA ALA 37 0.428 13.162 13.599 280 1HB ALA 37 HB1 ALA 37 1.468 14.848 12.589 281 2HB ALA 37 HB2 ALA 37 0.092 15.114 11.520 282 3HB ALA 37 HB3 ALA 37 1.347 13.961 11.070 283 H ILE 38 HN ILE 38 -1.848 12.510 11.089 284 HA ILE 38 HA ILE 38 -3.833 14.350 12.175 285 HB ILE 38 HB ILE 38 -4.300 12.335 9.986 286 1HG1 ILE 38 HG12 ILE 38 -2.360 13.647 9.356 287 2HG1 ILE 38 HG11 ILE 38 -3.748 14.182 8.413 288 1HG2 ILE 38 HG21 ILE 38 -6.183 13.566 9.449 289 2HG2 ILE 38 HG22 ILE 38 -5.584 15.022 10.240 290 3HG2 ILE 38 HG23 ILE 38 -6.166 13.668 11.210 291 1HD1 ILE 38 HD11 ILE 38 -2.810 15.564 10.908 292 2HD1 ILE 38 HD12 ILE 38 -3.962 16.153 9.708 293 3HD1 ILE 38 HD13 ILE 38 -2.256 15.991 9.289 294 H ASN 39 HN ASN 39 -3.962 10.871 11.371 295 HA ASN 39 HA ASN 39 -5.578 10.486 13.804 296 1HB ASN 39 HB2 ASN 39 -6.138 9.765 11.028 297 2HB ASN 39 HB1 ASN 39 -6.284 8.401 12.129 298 1HD2 ASN 39 HD21 ASN 39 -7.259 9.479 14.380 299 2HD2 ASN 39 HD22 ASN 39 -8.812 10.187 14.097 300 HA PRO 40 HA PRO 40 -1.550 8.123 14.161 301 1HB PRO 40 HB2 PRO 40 -2.427 8.423 16.984 302 2HB PRO 40 HB1 PRO 40 -0.826 8.644 16.272 303 1HG PRO 40 HG2 PRO 40 -2.367 10.724 17.000 304 2HG PRO 40 HG1 PRO 40 -1.275 10.800 15.609 305 1HD PRO 40 HD2 PRO 40 -4.229 10.593 15.685 306 2HD PRO 40 HD1 PRO 40 -3.176 11.305 14.450 307 H ALA 41 HN ALA 41 -4.488 7.706 16.141 308 HA ALA 41 HA ALA 41 -4.043 4.894 16.451 309 1HB ALA 41 HB1 ALA 41 -6.535 5.119 17.311 310 2HB ALA 41 HB2 ALA 41 -6.107 6.829 17.347 311 3HB ALA 41 HB3 ALA 41 -5.162 5.665 18.275 312 H ALA 42 HN ALA 42 -4.016 5.403 13.775 313 HA ALA 42 HA ALA 42 -6.086 3.652 12.847 314 1HB ALA 42 HB1 ALA 42 -7.484 5.443 12.516 315 2HB ALA 42 HB2 ALA 42 -6.648 5.371 10.964 316 3HB ALA 42 HB3 ALA 42 -6.156 6.552 12.176 317 H ALA 43 HN ALA 43 -3.532 5.930 11.962 318 HA ALA 43 HA ALA 43 -2.736 5.240 9.495 319 1HB ALA 43 HB1 ALA 43 -1.602 6.791 11.189 320 2HB ALA 43 HB2 ALA 43 -0.576 5.964 10.016 321 3HB ALA 43 HB3 ALA 43 -0.676 5.369 11.673 322 H ALA 44 HN ALA 44 -1.722 3.441 12.406 323 HA ALA 44 HA ALA 44 -0.228 1.457 11.232 324 1HB ALA 44 HB1 ALA 44 -0.167 1.432 13.538 325 2HB ALA 44 HB2 ALA 44 -1.161 0.017 13.190 326 3HB ALA 44 HB3 ALA 44 -1.919 1.530 13.689 327 H LYS 45 HN LYS 45 -3.712 1.741 11.425 328 HA LYS 45 HA LYS 45 -4.169 -0.890 10.327 329 1HB LYS 45 HB2 LYS 45 -6.030 1.392 10.986 330 2HB LYS 45 HB1 LYS 45 -6.569 -0.148 10.333 331 1HG LYS 45 HG2 LYS 45 -4.885 -0.222 12.767 332 2HG LYS 45 HG1 LYS 45 -6.540 0.370 12.933 333 1HD LYS 45 HD2 LYS 45 -7.462 -1.659 12.258 334 2HD LYS 45 HD1 LYS 45 -5.968 -2.189 11.482 335 1HE LYS 45 HE2 LYS 45 -4.932 -2.252 13.776 336 2HE LYS 45 HE1 LYS 45 -6.547 -1.992 14.432 337 1HZ LYS 45 HZ1 LYS 45 -6.901 -4.157 14.279 338 2HZ LYS 45 HZ2 LYS 45 -5.369 -4.399 13.601 339 3HZ LYS 45 HZ3 LYS 45 -6.698 -4.095 12.599 340 H VAL 46 HN VAL 46 -4.395 2.467 9.261 341 HA VAL 46 HA VAL 46 -5.464 1.951 6.705 342 HB VAL 46 HB VAL 46 -3.731 4.270 7.577 343 1HG1 VAL 46 HG11 VAL 46 -5.779 4.529 5.461 344 2HG1 VAL 46 HG12 VAL 46 -4.289 3.698 5.032 345 3HG1 VAL 46 HG13 VAL 46 -4.233 5.353 5.640 346 1HG2 VAL 46 HG21 VAL 46 -6.067 5.376 7.670 347 2HG2 VAL 46 HG22 VAL 46 -5.550 4.354 9.011 348 3HG2 VAL 46 HG23 VAL 46 -6.665 3.721 7.797 349 H THR 47 HN THR 47 -2.161 2.070 7.918 350 HA THR 47 HA THR 47 -0.969 1.914 5.315 351 HB THR 47 HB THR 47 0.219 1.490 8.063 352 HG1 THR 47 HG1 THR 47 -0.430 3.584 7.878 353 1HG2 THR 47 HG21 THR 47 2.165 2.448 6.304 354 2HG2 THR 47 HG22 THR 47 1.389 1.093 5.481 355 3HG2 THR 47 HG23 THR 47 2.094 0.865 7.082 356 H GLY 48 HN GLY 48 -1.212 -0.369 8.036 357 1HA GLY 48 HA2 GLY 48 -0.047 -2.542 6.653 358 2HA GLY 48 HA1 GLY 48 -1.006 -2.653 8.122 359 H MET 49 HN MET 49 -3.434 -1.856 7.433 360 HA MET 49 HA MET 49 -4.403 -4.062 5.912 361 1HB MET 49 HB2 MET 49 -6.085 -1.675 6.618 362 2HB MET 49 HB1 MET 49 -6.557 -3.363 6.506 363 1HG MET 49 HG2 MET 49 -4.641 -2.460 8.616 364 2HG MET 49 HG1 MET 49 -6.378 -2.250 8.818 365 1HE MET 49 HE1 MET 49 -4.052 -5.762 10.018 366 2HE MET 49 HE2 MET 49 -4.330 -4.185 10.757 367 3HE MET 49 HE3 MET 49 -3.414 -4.305 9.255 368 H LEU 50 HN LEU 50 -4.420 -0.555 5.463 369 HA LEU 50 HA LEU 50 -5.162 0.683 3.632 370 1HB LEU 50 HB2 LEU 50 -2.642 0.436 3.679 371 2HB LEU 50 HB1 LEU 50 -2.828 -0.742 2.397 372 HG LEU 50 HG LEU 50 -3.688 0.892 0.887 373 1HD1 LEU 50 HD11 LEU 50 -3.697 2.811 3.212 374 2HD1 LEU 50 HD12 LEU 50 -5.108 2.141 2.403 375 3HD1 LEU 50 HD13 LEU 50 -4.035 3.240 1.536 376 1HD2 LEU 50 HD21 LEU 50 -1.807 2.272 0.594 377 2HD2 LEU 50 HD22 LEU 50 -1.203 0.823 1.398 378 3HD2 LEU 50 HD23 LEU 50 -1.459 2.298 2.320 379 H LEU 51 HN LEU 51 -4.015 -2.323 2.068 380 HA LEU 51 HA LEU 51 -5.930 -2.034 -0.033 381 1HB LEU 51 HB2 LEU 51 -4.255 -4.462 0.583 382 2HB LEU 51 HB1 LEU 51 -4.975 -4.027 -0.956 383 HG LEU 51 HG LEU 51 -3.419 -1.904 -0.713 384 1HD1 LEU 51 HD11 LEU 51 -2.058 -1.955 1.040 385 2HD1 LEU 51 HD12 LEU 51 -1.248 -3.336 0.302 386 3HD1 LEU 51 HD13 LEU 51 -2.556 -3.594 1.456 387 1HD2 LEU 51 HD21 LEU 51 -1.855 -2.959 -2.138 388 2HD2 LEU 51 HD22 LEU 51 -3.406 -3.738 -2.451 389 3HD2 LEU 51 HD23 LEU 51 -2.196 -4.549 -1.456 390 H GLU 52 HN GLU 52 -7.835 -1.986 1.401 391 HA GLU 52 HA GLU 52 -8.631 -4.604 2.436 392 1HB GLU 52 HB2 GLU 52 -9.889 -1.869 2.733 393 2HB GLU 52 HB1 GLU 52 -10.541 -3.346 3.430 394 1HG GLU 52 HG2 GLU 52 -7.812 -2.246 4.054 395 2HG GLU 52 HG1 GLU 52 -9.257 -1.937 5.017 396 H MET 53 HN MET 53 -11.181 -4.875 2.158 397 HA MET 53 HA MET 53 -11.598 -5.524 -0.525 398 1HB MET 53 HB2 MET 53 -13.532 -5.188 1.762 399 2HB MET 53 HB1 MET 53 -14.031 -5.753 0.172 400 1HG MET 53 HG2 MET 53 -11.951 -7.083 1.891 401 2HG MET 53 HG1 MET 53 -13.641 -7.574 1.786 402 1HE MET 53 HE1 MET 53 -14.778 -8.541 -0.252 403 2HE MET 53 HE2 MET 53 -14.001 -8.956 -1.779 404 3HE MET 53 HE3 MET 53 -14.300 -7.266 -1.372 405 H ASP 54 HN ASP 54 -13.277 -2.956 1.319 406 HA ASP 54 HA ASP 54 -14.015 -1.694 -1.199 407 1HB ASP 54 HB2 ASP 54 -15.350 -0.174 0.233 408 2HB ASP 54 HB1 ASP 54 -15.795 -1.864 0.392 409 H ASN 55 HN ASN 55 -12.700 -0.499 1.892 410 HA ASN 55 HA ASN 55 -11.780 1.938 1.031 411 1HB ASN 55 HB2 ASN 55 -11.845 1.184 3.387 412 2HB ASN 55 HB1 ASN 55 -10.461 0.140 3.075 413 1HD2 ASN 55 HD21 ASN 55 -9.070 1.115 4.461 414 2HD2 ASN 55 HD22 ASN 55 -8.482 2.724 4.256 415 H GLY 56 HN GLY 56 -10.431 -1.207 0.433 416 1HA GLY 56 HA2 GLY 56 -7.800 -0.339 -0.243 417 2HA GLY 56 HA1 GLY 56 -8.510 -1.895 -0.637 418 H GLU 57 HN GLU 57 -10.380 -1.609 -2.391 419 HA GLU 57 HA GLU 57 -9.358 -1.242 -4.827 420 1HB GLU 57 HB2 GLU 57 -12.092 -0.195 -4.095 421 2HB GLU 57 HB1 GLU 57 -11.551 -0.692 -5.692 422 1HG GLU 57 HG2 GLU 57 -11.814 -2.486 -3.299 423 2HG GLU 57 HG1 GLU 57 -12.955 -2.382 -4.633 424 H ILE 58 HN ILE 58 -10.795 1.440 -2.987 425 HA ILE 58 HA ILE 58 -10.343 3.462 -4.856 426 HB ILE 58 HB ILE 58 -10.440 3.623 -1.843 427 1HG1 ILE 58 HG12 ILE 58 -12.602 4.433 -3.768 428 2HG1 ILE 58 HG11 ILE 58 -12.436 2.758 -3.250 429 1HG2 ILE 58 HG21 ILE 58 -9.858 5.761 -2.000 430 2HG2 ILE 58 HG22 ILE 58 -11.280 6.052 -3.002 431 3HG2 ILE 58 HG23 ILE 58 -9.741 5.634 -3.754 432 1HD1 ILE 58 HD11 ILE 58 -13.431 5.100 -1.793 433 2HD1 ILE 58 HD12 ILE 58 -12.395 4.013 -0.868 434 3HD1 ILE 58 HD13 ILE 58 -13.854 3.395 -1.640 435 H LEU 59 HN LEU 59 -8.300 2.268 -2.223 436 HA LEU 59 HA LEU 59 -6.231 3.946 -2.062 437 1HB LEU 59 HB2 LEU 59 -4.976 2.216 -1.258 438 2HB LEU 59 HB1 LEU 59 -6.578 1.525 -1.146 439 HG LEU 59 HG LEU 59 -6.029 0.532 -3.507 440 1HD1 LEU 59 HD11 LEU 59 -3.432 -0.066 -3.257 441 2HD1 LEU 59 HD12 LEU 59 -3.417 1.555 -2.560 442 3HD1 LEU 59 HD13 LEU 59 -4.013 1.305 -4.201 443 1HD2 LEU 59 HD21 LEU 59 -5.151 -0.378 -0.808 444 2HD2 LEU 59 HD22 LEU 59 -4.699 -1.327 -2.224 445 3HD2 LEU 59 HD23 LEU 59 -6.400 -1.029 -1.869 446 H ASN 60 HN ASN 60 -6.908 1.876 -4.800 447 HA ASN 60 HA ASN 60 -4.552 1.978 -6.213 448 1HB ASN 60 HB2 ASN 60 -6.820 0.835 -6.773 449 2HB ASN 60 HB1 ASN 60 -7.169 2.326 -7.642 450 1HD2 ASN 60 HD21 ASN 60 -5.698 -0.686 -7.777 451 2HD2 ASN 60 HD22 ASN 60 -4.835 -0.483 -9.261 452 H LEU 61 HN LEU 61 -6.580 4.637 -5.444 453 HA LEU 61 HA LEU 61 -5.051 6.317 -7.319 454 1HB LEU 61 HB2 LEU 61 -7.912 6.777 -6.477 455 2HB LEU 61 HB1 LEU 61 -6.991 7.736 -7.615 456 HG LEU 61 HG LEU 61 -7.184 4.900 -8.340 457 1HD1 LEU 61 HD11 LEU 61 -9.434 5.554 -7.233 458 2HD1 LEU 61 HD12 LEU 61 -9.444 4.760 -8.807 459 3HD1 LEU 61 HD13 LEU 61 -9.682 6.504 -8.697 460 1HD2 LEU 61 HD21 LEU 61 -6.906 7.489 -9.562 461 2HD2 LEU 61 HD22 LEU 61 -8.199 6.573 -10.338 462 3HD2 LEU 61 HD23 LEU 61 -6.575 5.892 -10.232 463 H LEU 62 HN LEU 62 -3.966 5.981 -4.889 464 HA LEU 62 HA LEU 62 -4.581 7.210 -2.638 465 1HB LEU 62 HB2 LEU 62 -2.008 7.440 -4.158 466 2HB LEU 62 HB1 LEU 62 -2.181 8.114 -2.550 467 HG LEU 62 HG LEU 62 -2.932 5.273 -2.921 468 1HD1 LEU 62 HD11 LEU 62 -0.590 4.564 -2.672 469 2HD1 LEU 62 HD12 LEU 62 -0.079 6.235 -2.908 470 3HD1 LEU 62 HD13 LEU 62 -0.901 5.372 -4.210 471 1HD2 LEU 62 HD21 LEU 62 -2.778 5.249 -0.700 472 2HD2 LEU 62 HD22 LEU 62 -2.593 7.002 -0.778 473 3HD2 LEU 62 HD23 LEU 62 -1.167 5.965 -0.735 474 H ASP 63 HN ASP 63 -6.116 8.833 -2.861 475 HA ASP 63 HA ASP 63 -5.203 11.390 -3.978 476 1HB ASP 63 HB2 ASP 63 -7.728 9.982 -3.971 477 2HB ASP 63 HB1 ASP 63 -7.918 11.607 -3.325 478 H THR 64 HN THR 64 -6.102 13.378 -2.815 479 HA THR 64 HA THR 64 -5.201 13.262 -0.105 480 HB THR 64 HB THR 64 -6.711 15.633 -1.089 481 HG1 THR 64 HG1 THR 64 -4.828 16.276 -2.260 482 1HG2 THR 64 HG21 THR 64 -5.155 15.237 1.076 483 2HG2 THR 64 HG22 THR 64 -5.445 16.808 0.326 484 3HG2 THR 64 HG23 THR 64 -3.983 15.901 -0.063 485 HA PRO 65 HA PRO 65 -9.806 13.988 0.945 486 1HB PRO 65 HB2 PRO 65 -11.663 13.660 -1.016 487 2HB PRO 65 HB1 PRO 65 -10.912 15.211 -0.632 488 1HG PRO 65 HG2 PRO 65 -10.389 13.365 -2.893 489 2HG PRO 65 HG1 PRO 65 -10.272 15.127 -2.825 490 1HD PRO 65 HD2 PRO 65 -8.129 13.362 -2.712 491 2HD PRO 65 HD1 PRO 65 -8.094 15.056 -2.202 492 H GLY 66 HN GLY 66 -10.349 11.807 -1.826 493 1HA GLY 66 HA2 GLY 66 -11.840 9.890 -0.609 494 2HA GLY 66 HA1 GLY 66 -10.724 9.535 -1.918 495 H LEU 67 HN LEU 67 -8.293 9.600 -0.965 496 HA LEU 67 HA LEU 67 -7.985 7.275 0.528 497 1HB LEU 67 HB2 LEU 67 -6.355 9.235 -0.685 498 2HB LEU 67 HB1 LEU 67 -5.762 9.037 0.947 499 HG LEU 67 HG LEU 67 -4.719 7.630 -0.922 500 1HD1 LEU 67 HD11 LEU 67 -5.389 5.612 0.992 501 2HD1 LEU 67 HD12 LEU 67 -5.141 7.161 1.800 502 3HD1 LEU 67 HD13 LEU 67 -3.878 6.494 0.767 503 1HD2 LEU 67 HD21 LEU 67 -5.813 5.760 -1.736 504 2HD2 LEU 67 HD22 LEU 67 -7.083 6.982 -1.739 505 3HD2 LEU 67 HD23 LEU 67 -7.022 5.779 -0.453 506 H LEU 68 HN LEU 68 -7.057 10.511 1.727 507 HA LEU 68 HA LEU 68 -6.793 9.881 4.380 508 1HB LEU 68 HB2 LEU 68 -7.292 12.328 2.876 509 2HB LEU 68 HB1 LEU 68 -7.876 12.404 4.521 510 HG LEU 68 HG LEU 68 -5.723 12.137 5.426 511 1HD1 LEU 68 HD11 LEU 68 -4.680 11.439 2.685 512 2HD1 LEU 68 HD12 LEU 68 -5.031 10.267 3.953 513 3HD1 LEU 68 HD13 LEU 68 -3.767 11.472 4.191 514 1HD2 LEU 68 HD21 LEU 68 -5.660 13.880 2.979 515 2HD2 LEU 68 HD22 LEU 68 -4.338 13.830 4.145 516 3HD2 LEU 68 HD23 LEU 68 -5.945 14.352 4.654 517 H ASP 69 HN ASP 69 -9.794 10.235 2.630 518 HA ASP 69 HA ASP 69 -11.369 10.408 5.052 519 1HB ASP 69 HB2 ASP 69 -11.846 11.101 2.421 520 2HB ASP 69 HB1 ASP 69 -12.826 9.656 2.630 521 H ALA 70 HN ALA 70 -11.223 8.031 2.388 522 HA ALA 70 HA ALA 70 -12.603 6.032 3.835 523 1HB ALA 70 HB1 ALA 70 -11.859 4.514 2.053 524 2HB ALA 70 HB2 ALA 70 -10.776 5.769 1.452 525 3HB ALA 70 HB3 ALA 70 -12.521 6.017 1.412 526 H LYS 71 HN LYS 71 -9.429 7.186 4.087 527 HA LYS 71 HA LYS 71 -8.250 4.714 4.995 528 1HB LYS 71 HB2 LYS 71 -7.300 7.550 4.770 529 2HB LYS 71 HB1 LYS 71 -6.353 6.358 5.638 530 1HG LYS 71 HG2 LYS 71 -6.878 6.604 2.720 531 2HG LYS 71 HG1 LYS 71 -5.373 6.301 3.569 532 1HD LYS 71 HD2 LYS 71 -5.593 4.156 3.053 533 2HD LYS 71 HD1 LYS 71 -7.008 4.078 4.095 534 1HE LYS 71 HE2 LYS 71 -8.468 4.532 2.287 535 2HE LYS 71 HE1 LYS 71 -7.138 4.992 1.238 536 1HZ LYS 71 HZ1 LYS 71 -7.549 2.255 2.308 537 2HZ LYS 71 HZ2 LYS 71 -6.388 2.735 1.177 538 3HZ LYS 71 HZ3 LYS 71 -8.025 2.761 0.764 539 H VAL 72 HN VAL 72 -8.937 7.877 6.506 540 HA VAL 72 HA VAL 72 -8.283 7.068 9.121 541 HB VAL 72 HB VAL 72 -9.625 9.049 9.862 542 1HG1 VAL 72 HG11 VAL 72 -7.169 8.977 8.935 543 2HG1 VAL 72 HG12 VAL 72 -7.953 10.513 9.311 544 3HG1 VAL 72 HG13 VAL 72 -7.861 9.954 7.641 545 1HG2 VAL 72 HG21 VAL 72 -10.049 10.507 7.605 546 2HG2 VAL 72 HG22 VAL 72 -11.296 9.618 8.476 547 3HG2 VAL 72 HG23 VAL 72 -10.515 8.892 7.072 548 H GLN 73 HN GLN 73 -11.416 7.200 7.446 549 HA GLN 73 HA GLN 73 -12.988 6.457 9.649 550 1HB GLN 73 HB2 GLN 73 -13.575 5.837 6.759 551 2HB GLN 73 HB1 GLN 73 -14.737 6.065 8.061 552 1HG GLN 73 HG2 GLN 73 -12.918 8.194 6.952 553 2HG GLN 73 HG1 GLN 73 -14.620 7.987 6.541 554 1HE2 GLN 73 HE21 GLN 73 -14.359 10.327 7.328 555 2HE2 GLN 73 HE22 GLN 73 -14.714 10.598 8.996 556 H GLU 74 HN GLU 74 -11.732 4.477 6.961 557 HA GLU 74 HA GLU 74 -12.708 2.016 7.774 558 1HB GLU 74 HB2 GLU 74 -11.729 2.263 5.601 559 2HB GLU 74 HB1 GLU 74 -10.179 2.724 6.288 560 1HG GLU 74 HG2 GLU 74 -11.281 0.059 6.993 561 2HG GLU 74 HG1 GLU 74 -10.635 0.296 5.370 562 H ALA 75 HN ALA 75 -9.791 3.715 8.808 563 HA ALA 75 HA ALA 75 -8.935 1.491 10.445 564 1HB ALA 75 HB1 ALA 75 -7.821 4.170 9.794 565 2HB ALA 75 HB2 ALA 75 -7.092 2.573 9.630 566 3HB ALA 75 HB3 ALA 75 -7.238 3.316 11.221 567 H LEU 76 HN LEU 76 -10.591 4.555 10.873 568 HA LEU 76 HA LEU 76 -10.389 4.598 13.721 569 1HB LEU 76 HB2 LEU 76 -11.907 6.117 11.662 570 2HB LEU 76 HB1 LEU 76 -12.526 6.147 13.298 571 HG LEU 76 HG LEU 76 -9.831 7.115 12.357 572 1HD1 LEU 76 HD11 LEU 76 -12.092 8.572 13.715 573 2HD1 LEU 76 HD12 LEU 76 -11.791 8.589 11.978 574 3HD1 LEU 76 HD13 LEU 76 -10.599 9.270 13.085 575 1HD2 LEU 76 HD21 LEU 76 -9.645 7.848 14.804 576 2HD2 LEU 76 HD22 LEU 76 -9.341 6.151 14.431 577 3HD2 LEU 76 HD23 LEU 76 -10.887 6.637 15.125 578 H GLU 77 HN GLU 77 -12.697 3.344 11.400 579 HA GLU 77 HA GLU 77 -14.704 2.674 13.316 580 1HB GLU 77 HB2 GLU 77 -15.054 3.014 10.825 581 2HB GLU 77 HB1 GLU 77 -14.310 1.442 10.586 582 1HG GLU 77 HG2 GLU 77 -16.863 1.593 10.627 583 2HG GLU 77 HG1 GLU 77 -16.086 0.308 11.548 584 H VAL 78 HN VAL 78 -12.212 0.820 11.589 585 HA VAL 78 HA VAL 78 -12.783 -1.670 12.753 586 HB VAL 78 HB VAL 78 -11.378 -1.351 10.727 587 1HG1 VAL 78 HG11 VAL 78 -9.204 -0.599 12.672 588 2HG1 VAL 78 HG12 VAL 78 -10.047 0.534 11.619 589 3HG1 VAL 78 HG13 VAL 78 -9.059 -0.750 10.921 590 1HG2 VAL 78 HG21 VAL 78 -9.457 -2.903 12.098 591 2HG2 VAL 78 HG22 VAL 78 -10.818 -3.459 11.125 592 3HG2 VAL 78 HG23 VAL 78 -11.018 -3.210 12.859 593 H LEU 79 HN LEU 79 -11.460 1.113 14.156 594 HA LEU 79 HA LEU 79 -9.570 0.148 15.939 595 1HB LEU 79 HB2 LEU 79 -10.662 2.566 15.462 596 2HB LEU 79 HB1 LEU 79 -11.461 2.176 16.973 597 HG LEU 79 HG LEU 79 -9.275 1.871 18.053 598 1HD1 LEU 79 HD11 LEU 79 -8.359 1.830 15.351 599 2HD1 LEU 79 HD12 LEU 79 -7.462 1.503 16.835 600 3HD1 LEU 79 HD13 LEU 79 -7.564 3.147 16.214 601 1HD2 LEU 79 HD21 LEU 79 -8.992 4.090 18.463 602 2HD2 LEU 79 HD22 LEU 79 -10.539 4.167 17.618 603 3HD2 LEU 79 HD23 LEU 79 -9.042 4.528 16.755 604 H ASN 80 HN ASN 80 -12.911 0.931 16.904 605 HA ASN 80 HA ASN 80 -12.748 -0.913 19.114 606 1HB ASN 80 HB2 ASN 80 -15.226 0.550 18.222 607 2HB ASN 80 HB1 ASN 80 -14.818 -0.021 19.835 608 1HD2 ASN 80 HD21 ASN 80 -12.803 0.973 20.771 609 2HD2 ASN 80 HD22 ASN 80 -12.581 2.666 20.517 610 H ARG 81 HN ARG 81 -12.926 -1.729 16.099 611 HA ARG 81 HA ARG 81 -15.340 -3.271 15.984 612 1HB ARG 81 HB2 ARG 81 -12.936 -2.961 14.249 613 2HB ARG 81 HB1 ARG 81 -13.925 -4.397 14.042 614 1HG ARG 81 HG2 ARG 81 -14.993 -1.588 13.932 615 2HG ARG 81 HG1 ARG 81 -14.502 -2.521 12.518 616 1HD ARG 81 HD2 ARG 81 -16.151 -4.300 13.559 617 2HD ARG 81 HD1 ARG 81 -16.851 -2.866 14.308 618 HE ARG 81 HE ARG 81 -17.533 -2.116 12.221 619 1HH1 ARG 81 HH11 ARG 81 -15.648 -5.043 11.915 620 2HH1 ARG 81 HH12 ARG 81 -16.086 -5.295 10.261 621 1HH2 ARG 81 HH21 ARG 81 -18.100 -2.451 10.043 622 2HH2 ARG 81 HH22 ARG 81 -17.474 -3.827 9.198 623 H HIS 82 HN HIS 82 -13.384 -3.674 18.229 624 HA HIS 82 HA HIS 82 -12.297 -6.296 17.898 625 1HB HIS 82 HB2 HIS 82 -12.104 -4.145 19.787 626 2HB HIS 82 HB1 HIS 82 -12.492 -5.633 20.650 627 HD1 HIS 82 HD1 HIS 82 -10.786 -7.681 20.181 628 HD2 HIS 82 HD2 HIS 82 -9.486 -3.892 19.079 629 HE1 HIS 82 HE1 HIS 82 -8.295 -7.879 19.909 630 HE2 HIS 82 HE2 HIS 82 -7.519 -5.553 19.324 631 H MET 83 HN MET 83 -15.350 -5.578 17.813 632 HA MET 83 HA MET 83 -16.754 -6.738 19.857 633 1HB MET 83 HB2 MET 83 -17.310 -5.819 17.284 634 2HB MET 83 HB1 MET 83 -17.846 -7.492 17.268 635 1HG MET 83 HG2 MET 83 -19.627 -5.917 17.871 636 2HG MET 83 HG1 MET 83 -19.302 -7.099 19.136 637 1HE MET 83 HE1 MET 83 -20.778 -3.840 19.562 638 2HE MET 83 HE2 MET 83 -19.829 -3.737 18.079 639 3HE MET 83 HE3 MET 83 -19.450 -2.685 19.444 640 H ASN 84 HN ASN 84 -18.106 -8.881 19.417 641 HA ASN 84 HA ASN 84 -16.125 -11.004 19.374 642 1HB ASN 84 HB2 ASN 84 -19.089 -11.172 19.956 643 2HB ASN 84 HB1 ASN 84 -17.887 -12.418 20.272 644 1HD2 ASN 84 HD21 ASN 84 -19.348 -9.525 21.370 645 2HD2 ASN 84 HD22 ASN 84 -18.490 -9.394 22.866 646 H VAL 85 HN VAL 85 -17.069 -9.589 16.886 647 HA VAL 85 HA VAL 85 -18.022 -11.962 15.422 648 HB VAL 85 HB VAL 85 -19.684 -10.158 15.403 649 1HG1 VAL 85 HG11 VAL 85 -17.334 -8.537 14.795 650 2HG1 VAL 85 HG12 VAL 85 -18.887 -8.071 15.490 651 3HG1 VAL 85 HG13 VAL 85 -18.709 -8.205 13.741 652 1HG2 VAL 85 HG21 VAL 85 -18.712 -10.010 12.627 653 2HG2 VAL 85 HG22 VAL 85 -20.266 -10.554 13.262 654 3HG2 VAL 85 HG23 VAL 85 -18.873 -11.636 13.292 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 33.045 2.004 -27.359 2 2H GLY 1 HT2 GLY 1 31.580 2.771 -27.001 3 3H GLY 1 HT3 GLY 1 32.520 2.119 -25.755 4 1HA GLY 1 HA1 GLY 1 33.960 4.017 -27.351 5 2HA GLY 1 HA2 GLY 1 32.544 4.711 -26.574 6 H SER 2 HN SER 2 32.955 5.605 -24.677 7 HA SER 2 HA SER 2 35.030 4.394 -22.974 8 1HB SER 2 HB2 SER 2 34.526 7.294 -22.659 9 2HB SER 2 HB1 SER 2 36.043 6.398 -22.595 10 HG SER 2 HG SER 2 36.296 7.304 -24.490 11 H SER 3 HN SER 3 32.142 3.955 -22.995 12 HA SER 3 HA SER 3 31.666 4.459 -20.180 13 1HB SER 3 HB2 SER 3 30.309 5.953 -22.300 14 2HB SER 3 HB1 SER 3 29.190 5.133 -21.212 15 HG SER 3 HG SER 3 29.713 7.194 -20.425 16 H LEU 4 HN LEU 4 30.969 2.612 -19.339 17 HA LEU 4 HA LEU 4 29.920 0.549 -21.080 18 1HB LEU 4 HB2 LEU 4 30.944 0.663 -18.287 19 2HB LEU 4 HB1 LEU 4 29.872 -0.654 -18.721 20 HG LEU 4 HG LEU 4 32.240 -1.279 -18.908 21 1HD1 LEU 4 HD11 LEU 4 30.620 -1.186 -21.438 22 2HD1 LEU 4 HD12 LEU 4 30.776 -2.510 -20.287 23 3HD1 LEU 4 HD13 LEU 4 32.142 -2.065 -21.306 24 1HD2 LEU 4 HD21 LEU 4 33.106 0.944 -19.507 25 2HD2 LEU 4 HD22 LEU 4 32.353 0.797 -21.093 26 3HD2 LEU 4 HD23 LEU 4 33.648 -0.307 -20.627 27 H ALA 5 HN ALA 5 28.070 2.359 -21.233 28 HA ALA 5 HA ALA 5 26.074 2.094 -19.156 29 1HB ALA 5 HB1 ALA 5 25.016 3.862 -20.116 30 2HB ALA 5 HB2 ALA 5 25.398 3.343 -21.757 31 3HB ALA 5 HB3 ALA 5 26.630 4.131 -20.773 32 H SER 6 HN SER 6 27.008 0.220 -21.755 33 HA SER 6 HA SER 6 24.298 -0.771 -22.272 34 1HB SER 6 HB2 SER 6 25.755 -0.166 -24.216 35 2HB SER 6 HB1 SER 6 26.853 -1.459 -23.740 36 HG SER 6 HG SER 6 25.105 -2.921 -24.022 37 H GLN 7 HN GLN 7 27.564 -1.993 -21.515 38 HA GLN 7 HA GLN 7 26.804 -4.663 -21.093 39 1HB GLN 7 HB2 GLN 7 29.153 -3.877 -21.384 40 2HB GLN 7 HB1 GLN 7 29.085 -3.194 -19.764 41 1HG GLN 7 HG2 GLN 7 28.459 -5.581 -19.025 42 2HG GLN 7 HG1 GLN 7 29.096 -6.064 -20.596 43 1HE2 GLN 7 HE21 GLN 7 30.091 -6.726 -17.965 44 2HE2 GLN 7 HE22 GLN 7 31.713 -6.138 -17.889 45 H GLY 8 HN GLY 8 26.527 -1.841 -19.099 46 1HA GLY 8 HA2 GLY 8 26.169 -3.285 -16.633 47 2HA GLY 8 HA1 GLY 8 25.905 -1.567 -16.886 48 H GLN 9 HN GLN 9 24.485 -4.762 -17.429 49 HA GLN 9 HA GLN 9 21.842 -3.519 -17.684 50 1HB GLN 9 HB2 GLN 9 21.076 -5.682 -18.496 51 2HB GLN 9 HB1 GLN 9 22.485 -5.156 -19.406 52 1HG GLN 9 HG2 GLN 9 22.944 -6.900 -17.056 53 2HG GLN 9 HG1 GLN 9 22.221 -7.624 -18.491 54 1HE2 GLN 9 HE21 GLN 9 24.844 -8.056 -17.266 55 2HE2 GLN 9 HE22 GLN 9 26.005 -7.719 -18.500 56 H ASN 10 HN ASN 10 23.405 -3.836 -15.147 57 HA ASN 10 HA ASN 10 22.190 -5.856 -13.585 58 1HB ASN 10 HB2 ASN 10 24.362 -4.707 -13.058 59 2HB ASN 10 HB1 ASN 10 23.427 -3.289 -12.591 60 1HD2 ASN 10 HD21 ASN 10 23.106 -6.779 -12.028 61 2HD2 ASN 10 HD22 ASN 10 22.972 -6.659 -10.309 62 H LEU 11 HN LEU 11 21.648 -2.362 -13.784 63 HA LEU 11 HA LEU 11 19.601 -2.092 -11.956 64 1HB LEU 11 HB2 LEU 11 20.379 -0.634 -14.433 65 2HB LEU 11 HB1 LEU 11 18.823 -0.262 -13.716 66 HG LEU 11 HG LEU 11 21.004 -0.267 -11.769 67 1HD1 LEU 11 HD11 LEU 11 22.502 0.707 -13.150 68 2HD1 LEU 11 HD12 LEU 11 21.562 2.152 -12.778 69 3HD1 LEU 11 HD13 LEU 11 21.267 1.268 -14.277 70 1HD2 LEU 11 HD21 LEU 11 19.711 2.231 -11.969 71 2HD2 LEU 11 HD22 LEU 11 19.459 0.966 -10.767 72 3HD2 LEU 11 HD23 LEU 11 18.483 0.995 -12.235 73 H SER 12 HN SER 12 19.451 -3.234 -15.280 74 HA SER 12 HA SER 12 16.652 -3.197 -15.577 75 1HB SER 12 HB2 SER 12 18.646 -5.070 -16.879 76 2HB SER 12 HB1 SER 12 17.008 -4.740 -17.443 77 HG SER 12 HG SER 12 19.020 -2.760 -17.164 78 H THR 13 HN THR 13 18.852 -5.817 -14.599 79 HA THR 13 HA THR 13 16.751 -7.673 -14.079 80 HB THR 13 HB THR 13 19.576 -7.738 -13.010 81 HG1 THR 13 HG1 THR 13 18.676 -8.944 -15.400 82 1HG2 THR 13 HG21 THR 13 18.942 -9.643 -12.080 83 2HG2 THR 13 HG22 THR 13 18.782 -10.291 -13.711 84 3HG2 THR 13 HG23 THR 13 17.379 -9.604 -12.893 85 H VAL 14 HN VAL 14 17.851 -4.967 -12.399 86 HA VAL 14 HA VAL 14 17.233 -5.993 -9.752 87 HB VAL 14 HB VAL 14 18.015 -3.206 -10.617 88 1HG1 VAL 14 HG11 VAL 14 16.810 -3.929 -8.266 89 2HG1 VAL 14 HG12 VAL 14 17.838 -2.514 -8.498 90 3HG1 VAL 14 HG13 VAL 14 18.522 -4.007 -7.855 91 1HG2 VAL 14 HG21 VAL 14 20.152 -3.834 -10.592 92 2HG2 VAL 14 HG22 VAL 14 19.574 -5.499 -10.569 93 3HG2 VAL 14 HG23 VAL 14 19.958 -4.679 -9.056 94 H LEU 15 HN LEU 15 16.021 -3.426 -11.914 95 HA LEU 15 HA LEU 15 13.829 -2.770 -10.246 96 1HB LEU 15 HB2 LEU 15 14.958 -1.429 -12.181 97 2HB LEU 15 HB1 LEU 15 13.807 -2.275 -13.199 98 HG LEU 15 HG LEU 15 11.946 -1.313 -11.943 99 1HD1 LEU 15 HD11 LEU 15 13.205 -1.171 -9.770 100 2HD1 LEU 15 HD12 LEU 15 12.227 0.238 -10.171 101 3HD1 LEU 15 HD13 LEU 15 13.974 0.286 -10.398 102 1HD2 LEU 15 HD21 LEU 15 13.980 0.711 -12.868 103 2HD2 LEU 15 HD22 LEU 15 12.274 1.051 -12.580 104 3HD2 LEU 15 HD23 LEU 15 12.747 -0.074 -13.853 105 H ALA 16 HN ALA 16 14.098 -4.791 -13.158 106 HA ALA 16 HA ALA 16 11.318 -5.500 -13.120 107 1HB ALA 16 HB1 ALA 16 11.996 -5.741 -15.256 108 2HB ALA 16 HB2 ALA 16 12.414 -7.371 -14.726 109 3HB ALA 16 HB3 ALA 16 13.655 -6.121 -14.800 110 H ASN 17 HN ASN 17 12.227 -6.005 -10.613 111 HA ASN 17 HA ASN 17 12.190 -8.939 -10.498 112 1HB ASN 17 HB2 ASN 17 14.235 -7.222 -9.564 113 2HB ASN 17 HB1 ASN 17 13.404 -7.832 -8.145 114 1HD2 ASN 17 HD21 ASN 17 14.408 -9.139 -11.287 115 2HD2 ASN 17 HD22 ASN 17 15.155 -10.558 -10.646 116 H LEU 18 HN LEU 18 11.791 -6.116 -8.352 117 HA LEU 18 HA LEU 18 9.238 -7.272 -7.425 118 1HB LEU 18 HB2 LEU 18 11.104 -5.603 -5.744 119 2HB LEU 18 HB1 LEU 18 9.622 -6.373 -5.221 120 HG LEU 18 HG LEU 18 11.271 -7.719 -4.330 121 1HD1 LEU 18 HD11 LEU 18 10.072 -8.811 -6.781 122 2HD1 LEU 18 HD12 LEU 18 10.020 -9.404 -5.123 123 3HD1 LEU 18 HD13 LEU 18 11.439 -9.707 -6.123 124 1HD2 LEU 18 HD21 LEU 18 13.288 -8.420 -5.451 125 2HD2 LEU 18 HD22 LEU 18 13.145 -6.664 -5.476 126 3HD2 LEU 18 HD23 LEU 18 12.772 -7.598 -6.917 127 H THR 19 HN THR 19 7.983 -6.014 -8.834 128 HA THR 19 HA THR 19 8.301 -3.147 -8.869 129 HB THR 19 HB THR 19 6.238 -4.960 -10.130 130 HG1 THR 19 HG1 THR 19 8.643 -4.580 -10.836 131 1HG2 THR 19 HG21 THR 19 5.625 -3.012 -11.516 132 2HG2 THR 19 HG22 THR 19 6.587 -1.989 -10.447 133 3HG2 THR 19 HG23 THR 19 5.171 -2.836 -9.821 134 HA PRO 20 HA PRO 20 4.057 -3.378 -6.545 135 1HB PRO 20 HB2 PRO 20 3.490 -5.708 -5.254 136 2HB PRO 20 HB1 PRO 20 2.940 -5.346 -6.892 137 1HG PRO 20 HG2 PRO 20 5.256 -7.007 -5.995 138 2HG PRO 20 HG1 PRO 20 4.094 -7.314 -7.299 139 1HD PRO 20 HD2 PRO 20 6.581 -6.363 -7.751 140 2HD PRO 20 HD1 PRO 20 5.200 -5.935 -8.776 141 H GLU 21 HN GLU 21 6.743 -5.290 -5.258 142 HA GLU 21 HA GLU 21 6.325 -4.747 -2.535 143 1HB GLU 21 HB2 GLU 21 7.908 -6.455 -3.522 144 2HB GLU 21 HB1 GLU 21 9.011 -5.127 -3.859 145 1HG GLU 21 HG2 GLU 21 9.215 -4.632 -1.519 146 2HG GLU 21 HG1 GLU 21 7.989 -5.834 -1.120 147 H GLN 22 HN GLN 22 8.187 -3.029 -5.009 148 HA GLN 22 HA GLN 22 9.140 -1.019 -3.216 149 1HB GLN 22 HB2 GLN 22 9.059 -1.218 -6.222 150 2HB GLN 22 HB1 GLN 22 9.717 0.181 -5.383 151 1HG GLN 22 HG2 GLN 22 10.702 -2.650 -5.117 152 2HG GLN 22 HG1 GLN 22 11.462 -1.376 -6.070 153 1HE2 GLN 22 HE21 GLN 22 13.078 -2.475 -4.362 154 2HE2 GLN 22 HE22 GLN 22 13.330 -1.504 -2.955 155 H GLN 23 HN GLN 23 6.680 -1.010 -5.799 156 HA GLN 23 HA GLN 23 5.803 1.600 -5.492 157 1HB GLN 23 HB2 GLN 23 5.128 0.096 -7.340 158 2HB GLN 23 HB1 GLN 23 4.098 -0.787 -6.222 159 1HG GLN 23 HG2 GLN 23 2.448 0.631 -6.596 160 2HG GLN 23 HG1 GLN 23 3.447 1.966 -6.024 161 1HE2 GLN 23 HE21 GLN 23 1.541 2.319 -7.977 162 2HE2 GLN 23 HE22 GLN 23 2.317 2.669 -9.480 163 H LYS 24 HN LYS 24 4.776 -1.309 -3.728 164 HA LYS 24 HA LYS 24 2.704 -0.024 -2.289 165 1HB LYS 24 HB2 LYS 24 4.257 -2.563 -1.876 166 2HB LYS 24 HB1 LYS 24 3.095 -2.010 -0.678 167 1HG LYS 24 HG2 LYS 24 1.435 -1.898 -2.630 168 2HG LYS 24 HG1 LYS 24 2.612 -2.886 -3.499 169 1HD LYS 24 HD2 LYS 24 2.518 -4.404 -1.403 170 2HD LYS 24 HD1 LYS 24 1.009 -3.558 -1.060 171 1HE LYS 24 HE2 LYS 24 0.869 -4.248 -3.761 172 2HE LYS 24 HE1 LYS 24 1.546 -5.663 -2.957 173 1HZ LYS 24 HZ1 LYS 24 -0.767 -5.928 -2.883 174 2HZ LYS 24 HZ2 LYS 24 -1.038 -4.323 -2.425 175 3HZ LYS 24 HZ3 LYS 24 -0.347 -5.410 -1.328 176 H ASN 25 HN ASN 25 6.128 -0.534 -1.652 177 HA ASN 25 HA ASN 25 6.206 0.274 1.018 178 1HB ASN 25 HB2 ASN 25 8.086 -0.410 -0.974 179 2HB ASN 25 HB1 ASN 25 8.573 1.168 -0.361 180 1HD2 ASN 25 HD21 ASN 25 7.487 -2.003 0.794 181 2HD2 ASN 25 HD22 ASN 25 8.538 -2.055 2.163 182 H VAL 26 HN VAL 26 6.811 2.248 -1.903 183 HA VAL 26 HA VAL 26 7.215 4.675 -0.619 184 HB VAL 26 HB VAL 26 7.499 4.102 -3.105 185 1HG1 VAL 26 HG11 VAL 26 5.693 4.786 -4.587 186 2HG1 VAL 26 HG12 VAL 26 4.651 5.071 -3.193 187 3HG1 VAL 26 HG13 VAL 26 5.203 3.442 -3.563 188 1HG2 VAL 26 HG21 VAL 26 8.198 6.211 -2.882 189 2HG2 VAL 26 HG22 VAL 26 6.879 6.624 -1.789 190 3HG2 VAL 26 HG23 VAL 26 6.623 6.665 -3.533 191 H LEU 27 HN LEU 27 4.167 3.301 -1.827 192 HA LEU 27 HA LEU 27 2.538 5.470 -1.092 193 1HB LEU 27 HB2 LEU 27 1.735 2.566 -1.222 194 2HB LEU 27 HB1 LEU 27 0.666 3.950 -1.327 195 HG LEU 27 HG LEU 27 2.697 3.064 -3.367 196 1HD1 LEU 27 HD11 LEU 27 -0.300 3.314 -3.496 197 2HD1 LEU 27 HD12 LEU 27 0.603 1.806 -3.346 198 3HD1 LEU 27 HD13 LEU 27 0.758 2.787 -4.804 199 1HD2 LEU 27 HD21 LEU 27 1.888 5.695 -2.834 200 2HD2 LEU 27 HD22 LEU 27 1.003 5.189 -4.267 201 3HD2 LEU 27 HD23 LEU 27 2.761 5.098 -4.240 202 H GLY 28 HN GLY 28 3.305 2.447 0.623 203 1HA GLY 28 HA2 GLY 28 1.726 2.926 2.892 204 2HA GLY 28 HA1 GLY 28 3.136 1.878 2.838 205 H GLU 29 HN GLU 29 5.201 3.572 2.395 206 HA GLU 29 HA GLU 29 5.715 4.651 4.911 207 1HB GLU 29 HB2 GLU 29 6.966 5.349 2.247 208 2HB GLU 29 HB1 GLU 29 7.619 5.825 3.810 209 1HG GLU 29 HG2 GLU 29 7.101 2.947 3.452 210 2HG GLU 29 HG1 GLU 29 8.385 3.633 2.458 211 H ARG 30 HN ARG 30 4.929 6.363 1.893 212 HA ARG 30 HA ARG 30 4.667 8.907 3.101 213 1HB ARG 30 HB2 ARG 30 3.357 7.953 0.549 214 2HB ARG 30 HB1 ARG 30 3.683 9.618 1.008 215 1HG ARG 30 HG2 ARG 30 5.990 7.766 0.859 216 2HG ARG 30 HG1 ARG 30 5.241 8.271 -0.655 217 1HD ARG 30 HD2 ARG 30 6.393 10.046 1.492 218 2HD ARG 30 HD1 ARG 30 7.035 9.784 -0.128 219 HE ARG 30 HE ARG 30 4.632 11.323 0.561 220 1HH1 ARG 30 HH11 ARG 30 6.973 10.300 -1.831 221 2HH1 ARG 30 HH12 ARG 30 6.491 11.497 -2.986 222 1HH2 ARG 30 HH21 ARG 30 4.006 12.890 -0.964 223 2HH2 ARG 30 HH22 ARG 30 4.810 12.962 -2.497 224 H LEU 31 HN LEU 31 2.632 6.169 3.163 225 HA LEU 31 HA LEU 31 0.137 7.542 3.376 226 1HB LEU 31 HB2 LEU 31 1.018 4.882 3.088 227 2HB LEU 31 HB1 LEU 31 0.082 4.936 4.561 228 HG LEU 31 HG LEU 31 -1.393 6.344 2.620 229 1HD1 LEU 31 HD11 LEU 31 -0.342 5.443 0.775 230 2HD1 LEU 31 HD12 LEU 31 -1.703 4.351 1.024 231 3HD1 LEU 31 HD13 LEU 31 -0.092 3.883 1.552 232 1HD2 LEU 31 HD21 LEU 31 -2.078 4.848 4.598 233 2HD2 LEU 31 HD22 LEU 31 -1.938 3.516 3.452 234 3HD2 LEU 31 HD23 LEU 31 -3.082 4.824 3.150 235 H TYR 32 HN TYR 32 1.998 5.625 5.732 236 HA TYR 32 HA TYR 32 0.583 6.165 8.014 237 1HB TYR 32 HB2 TYR 32 2.634 4.650 7.645 238 2HB TYR 32 HB1 TYR 32 3.600 6.078 7.994 239 HD1 TYR 32 HD1 TYR 32 2.348 3.188 9.401 240 HD2 TYR 32 HD2 TYR 32 2.712 7.338 10.238 241 HE1 TYR 32 HE1 TYR 32 2.198 2.710 11.811 242 HE2 TYR 32 HE2 TYR 32 2.557 6.879 12.648 243 HH TYR 32 HH TYR 32 2.736 5.186 14.221 244 H ASN 33 HN ASN 33 2.968 8.219 6.443 245 HA ASN 33 HA ASN 33 3.227 10.108 8.541 246 1HB ASN 33 HB2 ASN 33 4.969 9.992 6.925 247 2HB ASN 33 HB1 ASN 33 3.841 10.201 5.590 248 1HD2 ASN 33 HD21 ASN 33 2.631 12.310 5.601 249 2HD2 ASN 33 HD22 ASN 33 3.541 13.721 6.030 250 H HIS 34 HN HIS 34 1.081 10.006 5.715 251 HA HIS 34 HA HIS 34 0.149 12.641 5.978 252 1HB HIS 34 HB2 HIS 34 -1.703 11.986 4.603 253 2HB HIS 34 HB1 HIS 34 -0.265 11.188 3.985 254 HD1 HIS 34 HD1 HIS 34 -0.992 8.949 3.165 255 HD2 HIS 34 HD2 HIS 34 -2.927 10.030 6.652 256 HE1 HIS 34 HE1 HIS 34 -2.396 6.965 3.816 257 HE2 HIS 34 HE2 HIS 34 -3.332 7.557 6.060 258 H ILE 35 HN ILE 35 -0.845 9.644 7.445 259 HA ILE 35 HA ILE 35 -2.967 10.959 8.936 260 HB ILE 35 HB ILE 35 -2.738 8.414 7.828 261 1HG1 ILE 35 HG12 ILE 35 -4.800 9.109 9.895 262 2HG1 ILE 35 HG11 ILE 35 -4.744 9.966 8.356 263 1HG2 ILE 35 HG21 ILE 35 -3.093 6.897 9.708 264 2HG2 ILE 35 HG22 ILE 35 -2.741 8.208 10.830 265 3HG2 ILE 35 HG23 ILE 35 -1.490 7.627 9.730 266 1HD1 ILE 35 HD11 ILE 35 -5.855 8.324 7.378 267 2HD1 ILE 35 HD12 ILE 35 -5.980 7.512 8.938 268 3HD1 ILE 35 HD13 ILE 35 -4.625 7.160 7.868 269 H VAL 36 HN VAL 36 0.220 9.580 9.514 270 HA VAL 36 HA VAL 36 0.136 8.969 12.158 271 HB VAL 36 HB VAL 36 2.211 8.846 10.803 272 1HG1 VAL 36 HG11 VAL 36 2.041 11.169 9.889 273 2HG1 VAL 36 HG12 VAL 36 3.635 10.717 10.475 274 3HG1 VAL 36 HG13 VAL 36 2.598 11.755 11.452 275 1HG2 VAL 36 HG21 VAL 36 2.021 8.849 13.393 276 2HG2 VAL 36 HG22 VAL 36 2.867 10.390 13.266 277 3HG2 VAL 36 HG23 VAL 36 3.610 8.923 12.631 278 H ALA 37 HN ALA 37 0.596 12.245 10.849 279 HA ALA 37 HA ALA 37 0.511 13.502 13.413 280 1HB ALA 37 HB1 ALA 37 0.169 14.717 10.675 281 2HB ALA 37 HB2 ALA 37 1.705 14.487 11.507 282 3HB ALA 37 HB3 ALA 37 0.498 15.590 12.169 283 H ILE 38 HN ILE 38 -1.833 12.501 11.081 284 HA ILE 38 HA ILE 38 -3.920 14.202 12.229 285 HB ILE 38 HB ILE 38 -4.278 12.119 10.086 286 1HG1 ILE 38 HG12 ILE 38 -2.688 13.577 9.153 287 2HG1 ILE 38 HG11 ILE 38 -4.228 14.196 8.567 288 1HG2 ILE 38 HG21 ILE 38 -5.996 14.124 11.375 289 2HG2 ILE 38 HG22 ILE 38 -6.418 12.613 10.571 290 3HG2 ILE 38 HG23 ILE 38 -6.101 14.061 9.616 291 1HD1 ILE 38 HD11 ILE 38 -2.935 16.059 9.203 292 2HD1 ILE 38 HD12 ILE 38 -2.482 15.314 10.736 293 3HD1 ILE 38 HD13 ILE 38 -4.143 15.842 10.470 294 H ASN 39 HN ASN 39 -3.765 10.708 11.510 295 HA ASN 39 HA ASN 39 -5.224 10.234 14.023 296 1HB ASN 39 HB2 ASN 39 -6.207 9.768 11.486 297 2HB ASN 39 HB1 ASN 39 -5.600 8.190 11.962 298 1HD2 ASN 39 HD21 ASN 39 -6.355 7.333 14.026 299 2HD2 ASN 39 HD22 ASN 39 -7.952 7.725 14.554 300 HA PRO 40 HA PRO 40 -1.029 8.193 14.240 301 1HB PRO 40 HB2 PRO 40 -1.865 8.414 17.090 302 2HB PRO 40 HB1 PRO 40 -0.294 8.741 16.348 303 1HG PRO 40 HG2 PRO 40 -1.909 10.734 17.095 304 2HG PRO 40 HG1 PRO 40 -0.926 10.846 15.626 305 1HD PRO 40 HD2 PRO 40 -3.849 10.371 15.920 306 2HD PRO 40 HD1 PRO 40 -2.963 11.223 14.638 307 H ALA 41 HN ALA 41 -4.122 7.492 15.784 308 HA ALA 41 HA ALA 41 -3.365 4.706 16.209 309 1HB ALA 41 HB1 ALA 41 -4.558 5.259 18.048 310 2HB ALA 41 HB2 ALA 41 -5.914 4.778 17.029 311 3HB ALA 41 HB3 ALA 41 -5.504 6.484 17.206 312 H ALA 42 HN ALA 42 -3.356 5.273 13.561 313 HA ALA 42 HA ALA 42 -5.353 3.466 12.563 314 1HB ALA 42 HB1 ALA 42 -6.057 5.145 10.754 315 2HB ALA 42 HB2 ALA 42 -5.458 6.378 11.861 316 3HB ALA 42 HB3 ALA 42 -6.769 5.313 12.358 317 H ALA 43 HN ALA 43 -2.777 5.777 11.877 318 HA ALA 43 HA ALA 43 -1.946 5.237 9.375 319 1HB ALA 43 HB1 ALA 43 0.289 5.077 11.239 320 2HB ALA 43 HB2 ALA 43 -0.802 6.423 11.553 321 3HB ALA 43 HB3 ALA 43 -0.048 6.251 9.972 322 H ALA 44 HN ALA 44 -1.012 3.269 12.200 323 HA ALA 44 HA ALA 44 0.450 1.331 10.924 324 1HB ALA 44 HB1 ALA 44 -1.152 0.125 12.987 325 2HB ALA 44 HB2 ALA 44 -0.575 1.717 13.486 326 3HB ALA 44 HB3 ALA 44 0.575 0.482 12.971 327 H LYS 45 HN LYS 45 -3.038 1.607 11.182 328 HA LYS 45 HA LYS 45 -3.484 -0.960 9.910 329 1HB LYS 45 HB2 LYS 45 -5.077 0.991 11.392 330 2HB LYS 45 HB1 LYS 45 -5.923 0.335 9.998 331 1HG LYS 45 HG2 LYS 45 -4.554 -1.463 11.957 332 2HG LYS 45 HG1 LYS 45 -6.179 -0.842 12.259 333 1HD LYS 45 HD2 LYS 45 -7.096 -2.257 10.793 334 2HD LYS 45 HD1 LYS 45 -5.875 -1.901 9.570 335 1HE LYS 45 HE2 LYS 45 -4.522 -3.622 10.219 336 2HE LYS 45 HE1 LYS 45 -5.067 -3.560 11.895 337 1HZ LYS 45 HZ1 LYS 45 -6.861 -4.875 11.459 338 2HZ LYS 45 HZ2 LYS 45 -5.782 -5.498 10.314 339 3HZ LYS 45 HZ3 LYS 45 -6.978 -4.400 9.838 340 H VAL 46 HN VAL 46 -4.089 2.458 9.179 341 HA VAL 46 HA VAL 46 -5.159 2.020 6.600 342 HB VAL 46 HB VAL 46 -3.764 4.517 7.559 343 1HG1 VAL 46 HG11 VAL 46 -5.903 4.064 5.485 344 2HG1 VAL 46 HG12 VAL 46 -4.219 4.485 5.176 345 3HG1 VAL 46 HG13 VAL 46 -5.280 5.630 5.993 346 1HG2 VAL 46 HG21 VAL 46 -5.966 5.282 8.313 347 2HG2 VAL 46 HG22 VAL 46 -5.441 3.847 9.195 348 3HG2 VAL 46 HG23 VAL 46 -6.647 3.704 7.917 349 H THR 47 HN THR 47 -1.914 2.267 7.807 350 HA THR 47 HA THR 47 -0.700 2.753 5.249 351 HB THR 47 HB THR 47 0.485 1.917 7.906 352 HG1 THR 47 HG1 THR 47 -0.557 4.109 7.470 353 1HG2 THR 47 HG21 THR 47 1.848 1.479 5.726 354 2HG2 THR 47 HG22 THR 47 2.608 2.237 7.125 355 3HG2 THR 47 HG23 THR 47 2.076 3.226 5.768 356 H GLY 48 HN GLY 48 -0.708 -0.016 7.487 357 1HA GLY 48 HA2 GLY 48 0.551 -1.763 5.616 358 2HA GLY 48 HA1 GLY 48 -0.163 -2.221 7.151 359 H MET 49 HN MET 49 -2.749 -1.720 6.961 360 HA MET 49 HA MET 49 -3.674 -3.766 5.254 361 1HB MET 49 HB2 MET 49 -5.270 -1.629 6.679 362 2HB MET 49 HB1 MET 49 -5.930 -3.089 5.960 363 1HG MET 49 HG2 MET 49 -4.060 -2.911 8.307 364 2HG MET 49 HG1 MET 49 -5.754 -3.393 8.322 365 1HE MET 49 HE1 MET 49 -2.255 -3.999 7.432 366 2HE MET 49 HE2 MET 49 -2.095 -5.698 6.985 367 3HE MET 49 HE3 MET 49 -2.284 -5.245 8.679 368 H LEU 50 HN LEU 50 -4.089 -0.226 5.137 369 HA LEU 50 HA LEU 50 -5.233 0.980 3.465 370 1HB LEU 50 HB2 LEU 50 -2.897 1.492 3.330 371 2HB LEU 50 HB1 LEU 50 -2.584 0.068 2.363 372 HG LEU 50 HG LEU 50 -4.105 1.116 0.596 373 1HD1 LEU 50 HD11 LEU 50 -4.948 3.176 0.826 374 2HD1 LEU 50 HD12 LEU 50 -3.477 3.795 1.574 375 3HD1 LEU 50 HD13 LEU 50 -4.666 2.939 2.549 376 1HD2 LEU 50 HD21 LEU 50 -2.267 2.647 -0.177 377 2HD2 LEU 50 HD22 LEU 50 -1.771 1.001 0.202 378 3HD2 LEU 50 HD23 LEU 50 -1.442 2.303 1.342 379 H LEU 51 HN LEU 51 -3.617 -1.618 1.616 380 HA LEU 51 HA LEU 51 -5.553 -1.572 -0.437 381 1HB LEU 51 HB2 LEU 51 -3.394 -3.540 0.288 382 2HB LEU 51 HB1 LEU 51 -4.410 -3.723 -1.130 383 HG LEU 51 HG LEU 51 -3.378 -1.101 -1.242 384 1HD1 LEU 51 HD11 LEU 51 -1.704 -1.989 0.434 385 2HD1 LEU 51 HD12 LEU 51 -1.042 -1.299 -1.049 386 3HD1 LEU 51 HD13 LEU 51 -1.127 -3.049 -0.852 387 1HD2 LEU 51 HD21 LEU 51 -1.999 -2.276 -3.138 388 2HD2 LEU 51 HD22 LEU 51 -3.749 -2.106 -3.266 389 3HD2 LEU 51 HD23 LEU 51 -3.048 -3.642 -2.758 390 H GLU 52 HN GLU 52 -7.412 -1.709 1.110 391 HA GLU 52 HA GLU 52 -8.000 -4.409 2.040 392 1HB GLU 52 HB2 GLU 52 -9.357 -1.744 2.409 393 2HB GLU 52 HB1 GLU 52 -10.111 -3.250 2.906 394 1HG GLU 52 HG2 GLU 52 -7.553 -2.059 3.942 395 2HG GLU 52 HG1 GLU 52 -9.077 -2.262 4.807 396 H MET 53 HN MET 53 -10.569 -4.805 1.761 397 HA MET 53 HA MET 53 -10.894 -5.426 -0.978 398 1HB MET 53 HB2 MET 53 -13.152 -5.341 1.012 399 2HB MET 53 HB1 MET 53 -12.959 -6.401 -0.378 400 1HG MET 53 HG2 MET 53 -11.383 -6.481 2.184 401 2HG MET 53 HG1 MET 53 -12.594 -7.643 1.644 402 1HE MET 53 HE1 MET 53 -11.577 -9.821 -0.484 403 2HE MET 53 HE2 MET 53 -11.026 -8.683 -1.714 404 3HE MET 53 HE3 MET 53 -12.493 -8.347 -0.795 405 H ASP 54 HN ASP 54 -12.857 -3.241 1.065 406 HA ASP 54 HA ASP 54 -13.895 -1.953 -1.314 407 1HB ASP 54 HB2 ASP 54 -15.167 -0.574 0.391 408 2HB ASP 54 HB1 ASP 54 -15.559 -2.281 0.277 409 H ASN 55 HN ASN 55 -12.776 -0.386 1.692 410 HA ASN 55 HA ASN 55 -12.121 2.036 0.613 411 1HB ASN 55 HB2 ASN 55 -12.087 1.766 2.992 412 2HB ASN 55 HB1 ASN 55 -10.817 0.550 2.899 413 1HD2 ASN 55 HD21 ASN 55 -9.269 1.524 4.075 414 2HD2 ASN 55 HD22 ASN 55 -8.534 3.035 3.668 415 H GLY 56 HN GLY 56 -10.313 -0.945 0.413 416 1HA GLY 56 HA2 GLY 56 -7.808 0.088 -0.293 417 2HA GLY 56 HA1 GLY 56 -8.414 -1.497 -0.738 418 H GLU 57 HN GLU 57 -10.221 -1.311 -2.530 419 HA GLU 57 HA GLU 57 -9.151 -0.801 -4.926 420 1HB GLU 57 HB2 GLU 57 -12.001 -0.082 -4.244 421 2HB GLU 57 HB1 GLU 57 -11.367 -0.448 -5.843 422 1HG GLU 57 HG2 GLU 57 -10.936 -2.527 -3.808 423 2HG GLU 57 HG1 GLU 57 -12.614 -2.236 -4.263 424 H ILE 58 HN ILE 58 -10.937 1.671 -3.087 425 HA ILE 58 HA ILE 58 -10.655 3.775 -4.887 426 HB ILE 58 HB ILE 58 -10.806 3.843 -1.872 427 1HG1 ILE 58 HG12 ILE 58 -12.970 4.364 -3.912 428 2HG1 ILE 58 HG11 ILE 58 -12.700 2.792 -3.168 429 1HG2 ILE 58 HG21 ILE 58 -10.182 5.964 -3.622 430 2HG2 ILE 58 HG22 ILE 58 -10.577 6.056 -1.907 431 3HG2 ILE 58 HG23 ILE 58 -11.854 6.201 -3.114 432 1HD1 ILE 58 HD11 ILE 58 -13.318 5.306 -1.640 433 2HD1 ILE 58 HD12 ILE 58 -13.229 3.662 -1.005 434 3HD1 ILE 58 HD13 ILE 58 -14.516 4.106 -2.126 435 H LEU 59 HN LEU 59 -8.547 2.749 -2.242 436 HA LEU 59 HA LEU 59 -6.657 4.618 -2.017 437 1HB LEU 59 HB2 LEU 59 -5.267 3.008 -1.191 438 2HB LEU 59 HB1 LEU 59 -6.784 2.131 -1.172 439 HG LEU 59 HG LEU 59 -6.007 1.323 -3.557 440 1HD1 LEU 59 HD11 LEU 59 -3.445 0.950 -3.333 441 2HD1 LEU 59 HD12 LEU 59 -3.501 2.350 -2.265 442 3HD1 LEU 59 HD13 LEU 59 -4.032 2.495 -3.939 443 1HD2 LEU 59 HD21 LEU 59 -5.034 -0.631 -2.540 444 2HD2 LEU 59 HD22 LEU 59 -6.383 -0.077 -1.557 445 3HD2 LEU 59 HD23 LEU 59 -4.733 0.250 -1.045 446 H ASN 60 HN ASN 60 -7.025 2.505 -4.800 447 HA ASN 60 HA ASN 60 -4.684 2.813 -6.153 448 1HB ASN 60 HB2 ASN 60 -7.265 1.963 -6.803 449 2HB ASN 60 HB1 ASN 60 -6.885 3.197 -7.998 450 1HD2 ASN 60 HD21 ASN 60 -7.178 0.282 -8.243 451 2HD2 ASN 60 HD22 ASN 60 -5.701 -0.275 -8.947 452 H LEU 61 HN LEU 61 -7.054 5.291 -5.572 453 HA LEU 61 HA LEU 61 -5.497 7.136 -7.265 454 1HB LEU 61 HB2 LEU 61 -8.286 7.688 -6.325 455 2HB LEU 61 HB1 LEU 61 -7.426 8.391 -7.682 456 HG LEU 61 HG LEU 61 -7.718 5.547 -8.061 457 1HD1 LEU 61 HD11 LEU 61 -10.394 6.744 -8.212 458 2HD1 LEU 61 HD12 LEU 61 -9.802 6.433 -6.580 459 3HD1 LEU 61 HD13 LEU 61 -9.897 5.116 -7.750 460 1HD2 LEU 61 HD21 LEU 61 -8.400 8.069 -9.498 461 2HD2 LEU 61 HD22 LEU 61 -9.083 6.542 -10.059 462 3HD2 LEU 61 HD23 LEU 61 -7.333 6.750 -9.979 463 H LEU 62 HN LEU 62 -4.428 6.650 -4.828 464 HA LEU 62 HA LEU 62 -5.006 7.743 -2.521 465 1HB LEU 62 HB2 LEU 62 -2.454 8.294 -4.019 466 2HB LEU 62 HB1 LEU 62 -2.659 8.575 -2.301 467 HG LEU 62 HG LEU 62 -3.289 5.863 -3.284 468 1HD1 LEU 62 HD11 LEU 62 -1.241 6.506 -4.541 469 2HD1 LEU 62 HD12 LEU 62 -1.016 5.154 -3.430 470 3HD1 LEU 62 HD13 LEU 62 -0.433 6.760 -2.994 471 1HD2 LEU 62 HD21 LEU 62 -2.610 5.202 -1.172 472 2HD2 LEU 62 HD22 LEU 62 -3.300 6.797 -0.867 473 3HD2 LEU 62 HD23 LEU 62 -1.552 6.597 -0.966 474 H ASP 63 HN ASP 63 -6.633 9.328 -2.720 475 HA ASP 63 HA ASP 63 -5.790 11.970 -3.668 476 1HB ASP 63 HB2 ASP 63 -8.289 10.512 -3.680 477 2HB ASP 63 HB1 ASP 63 -8.493 12.096 -2.942 478 H THR 64 HN THR 64 -6.709 13.866 -2.402 479 HA THR 64 HA THR 64 -5.734 13.662 0.277 480 HB THR 64 HB THR 64 -7.298 16.029 -0.684 481 HG1 THR 64 HG1 THR 64 -4.801 15.153 -1.640 482 1HG2 THR 64 HG21 THR 64 -4.650 16.069 0.687 483 2HG2 THR 64 HG22 THR 64 -6.139 15.825 1.602 484 3HG2 THR 64 HG23 THR 64 -5.917 17.297 0.657 485 HA PRO 65 HA PRO 65 -10.295 14.254 1.528 486 1HB PRO 65 HB2 PRO 65 -12.235 14.117 -0.362 487 2HB PRO 65 HB1 PRO 65 -11.432 15.621 0.098 488 1HG PRO 65 HG2 PRO 65 -11.054 13.932 -2.311 489 2HG PRO 65 HG1 PRO 65 -10.896 15.683 -2.126 490 1HD PRO 65 HD2 PRO 65 -8.789 13.864 -2.228 491 2HD PRO 65 HD1 PRO 65 -8.693 15.526 -1.629 492 H GLY 66 HN GLY 66 -10.800 12.278 -1.401 493 1HA GLY 66 HA2 GLY 66 -12.340 10.294 -0.359 494 2HA GLY 66 HA1 GLY 66 -11.193 10.030 -1.661 495 H LEU 67 HN LEU 67 -8.791 10.037 -0.649 496 HA LEU 67 HA LEU 67 -8.565 7.621 0.739 497 1HB LEU 67 HB2 LEU 67 -6.868 9.582 -0.430 498 2HB LEU 67 HB1 LEU 67 -6.231 9.193 1.148 499 HG LEU 67 HG LEU 67 -5.349 7.873 -0.850 500 1HD1 LEU 67 HD11 LEU 67 -5.758 7.145 1.789 501 2HD1 LEU 67 HD12 LEU 67 -4.636 6.418 0.652 502 3HD1 LEU 67 HD13 LEU 67 -6.251 5.742 0.858 503 1HD2 LEU 67 HD21 LEU 67 -6.723 6.678 -2.119 504 2HD2 LEU 67 HD22 LEU 67 -8.074 7.417 -1.259 505 3HD2 LEU 67 HD23 LEU 67 -7.416 5.878 -0.709 506 H LEU 68 HN LEU 68 -7.585 10.832 2.006 507 HA LEU 68 HA LEU 68 -7.266 10.126 4.638 508 1HB LEU 68 HB2 LEU 68 -7.657 12.595 3.209 509 2HB LEU 68 HB1 LEU 68 -8.432 12.670 4.774 510 HG LEU 68 HG LEU 68 -6.067 11.713 5.560 511 1HD1 LEU 68 HD11 LEU 68 -4.344 11.998 4.165 512 2HD1 LEU 68 HD12 LEU 68 -4.930 13.568 3.615 513 3HD1 LEU 68 HD13 LEU 68 -5.558 12.089 2.889 514 1HD2 LEU 68 HD21 LEU 68 -7.385 13.974 5.965 515 2HD2 LEU 68 HD22 LEU 68 -6.085 14.621 4.961 516 3HD2 LEU 68 HD23 LEU 68 -5.704 13.772 6.458 517 H ASP 69 HN ASP 69 -10.276 10.491 2.953 518 HA ASP 69 HA ASP 69 -11.860 10.633 5.356 519 1HB ASP 69 HB2 ASP 69 -12.440 10.469 2.428 520 2HB ASP 69 HB1 ASP 69 -13.713 10.036 3.565 521 H ALA 70 HN ALA 70 -11.569 8.208 2.762 522 HA ALA 70 HA ALA 70 -12.857 6.166 4.281 523 1HB ALA 70 HB1 ALA 70 -13.058 6.035 1.930 524 2HB ALA 70 HB2 ALA 70 -12.031 4.683 2.410 525 3HB ALA 70 HB3 ALA 70 -11.314 6.130 1.700 526 H LYS 71 HN LYS 71 -9.806 7.462 4.590 527 HA LYS 71 HA LYS 71 -8.370 5.021 5.118 528 1HB LYS 71 HB2 LYS 71 -7.767 7.936 5.161 529 2HB LYS 71 HB1 LYS 71 -6.742 6.876 6.114 530 1HG LYS 71 HG2 LYS 71 -6.572 5.501 3.925 531 2HG LYS 71 HG1 LYS 71 -7.106 6.994 3.160 532 1HD LYS 71 HD2 LYS 71 -4.898 7.174 5.123 533 2HD LYS 71 HD1 LYS 71 -4.536 6.452 3.557 534 1HE LYS 71 HE2 LYS 71 -4.228 8.545 2.839 535 2HE LYS 71 HE1 LYS 71 -5.987 8.690 2.896 536 1HZ LYS 71 HZ1 LYS 71 -5.795 10.195 4.469 537 2HZ LYS 71 HZ2 LYS 71 -4.125 10.128 4.347 538 3HZ LYS 71 HZ3 LYS 71 -4.931 9.147 5.462 539 H VAL 72 HN VAL 72 -9.352 7.821 7.092 540 HA VAL 72 HA VAL 72 -8.683 6.596 9.567 541 HB VAL 72 HB VAL 72 -10.162 8.429 10.545 542 1HG1 VAL 72 HG11 VAL 72 -8.393 10.121 9.175 543 2HG1 VAL 72 HG12 VAL 72 -7.591 8.555 9.292 544 3HG1 VAL 72 HG13 VAL 72 -8.164 9.361 10.749 545 1HG2 VAL 72 HG21 VAL 72 -10.767 8.742 7.717 546 2HG2 VAL 72 HG22 VAL 72 -10.229 10.244 8.465 547 3HG2 VAL 72 HG23 VAL 72 -11.608 9.371 9.132 548 H GLN 73 HN GLN 73 -11.737 7.057 7.840 549 HA GLN 73 HA GLN 73 -13.396 5.955 9.817 550 1HB GLN 73 HB2 GLN 73 -13.920 5.986 6.850 551 2HB GLN 73 HB1 GLN 73 -15.110 5.975 8.146 552 1HG GLN 73 HG2 GLN 73 -13.152 8.225 7.853 553 2HG GLN 73 HG1 GLN 73 -14.643 8.182 6.918 554 1HE2 GLN 73 HE21 GLN 73 -13.471 7.873 10.250 555 2HE2 GLN 73 HE22 GLN 73 -14.811 8.689 10.980 556 H GLU 74 HN GLU 74 -11.387 4.467 7.399 557 HA GLU 74 HA GLU 74 -12.731 1.920 7.530 558 1HB GLU 74 HB2 GLU 74 -11.594 2.652 5.491 559 2HB GLU 74 HB1 GLU 74 -10.056 2.659 6.339 560 1HG GLU 74 HG2 GLU 74 -11.520 0.125 6.488 561 2HG GLU 74 HG1 GLU 74 -11.015 0.591 4.865 562 H ALA 75 HN ALA 75 -9.871 3.431 8.906 563 HA ALA 75 HA ALA 75 -8.995 1.015 10.215 564 1HB ALA 75 HB1 ALA 75 -7.900 3.614 9.674 565 2HB ALA 75 HB2 ALA 75 -7.073 2.126 10.133 566 3HB ALA 75 HB3 ALA 75 -7.694 3.210 11.377 567 H LEU 76 HN LEU 76 -10.758 3.940 11.060 568 HA LEU 76 HA LEU 76 -10.772 3.480 13.866 569 1HB LEU 76 HB2 LEU 76 -12.183 5.302 11.991 570 2HB LEU 76 HB1 LEU 76 -12.920 5.039 13.555 571 HG LEU 76 HG LEU 76 -10.186 6.182 13.010 572 1HD1 LEU 76 HD11 LEU 76 -12.389 7.548 12.817 573 2HD1 LEU 76 HD12 LEU 76 -11.021 8.216 13.708 574 3HD1 LEU 76 HD13 LEU 76 -12.368 7.484 14.580 575 1HD2 LEU 76 HD21 LEU 76 -9.601 5.278 14.972 576 2HD2 LEU 76 HD22 LEU 76 -11.265 4.865 15.382 577 3HD2 LEU 76 HD23 LEU 76 -10.658 6.493 15.692 578 H GLU 77 HN GLU 77 -12.916 2.615 11.215 579 HA GLU 77 HA GLU 77 -15.021 1.609 12.840 580 1HB GLU 77 HB2 GLU 77 -15.161 2.278 10.388 581 2HB GLU 77 HB1 GLU 77 -14.388 0.743 10.019 582 1HG GLU 77 HG2 GLU 77 -16.223 -0.479 10.940 583 2HG GLU 77 HG1 GLU 77 -16.964 1.001 11.550 584 H VAL 78 HN VAL 78 -12.215 0.154 11.265 585 HA VAL 78 HA VAL 78 -12.867 -2.500 12.161 586 HB VAL 78 HB VAL 78 -11.654 -2.122 10.046 587 1HG1 VAL 78 HG11 VAL 78 -9.212 -1.462 11.656 588 2HG1 VAL 78 HG12 VAL 78 -10.282 -0.205 11.040 589 3HG1 VAL 78 HG13 VAL 78 -9.471 -1.298 9.919 590 1HG2 VAL 78 HG21 VAL 78 -11.158 -4.062 11.990 591 2HG2 VAL 78 HG22 VAL 78 -9.570 -3.613 11.365 592 3HG2 VAL 78 HG23 VAL 78 -10.826 -4.171 10.261 593 H LEU 79 HN LEU 79 -11.672 0.158 13.742 594 HA LEU 79 HA LEU 79 -9.543 -0.881 15.254 595 1HB LEU 79 HB2 LEU 79 -10.281 1.542 15.056 596 2HB LEU 79 HB1 LEU 79 -11.530 1.165 16.227 597 HG LEU 79 HG LEU 79 -8.633 0.663 16.845 598 1HD1 LEU 79 HD11 LEU 79 -9.289 3.000 18.145 599 2HD1 LEU 79 HD12 LEU 79 -9.959 3.231 16.529 600 3HD1 LEU 79 HD13 LEU 79 -8.249 2.855 16.729 601 1HD2 LEU 79 HD21 LEU 79 -11.129 1.058 18.480 602 2HD2 LEU 79 HD22 LEU 79 -9.507 1.050 19.170 603 3HD2 LEU 79 HD23 LEU 79 -10.130 -0.388 18.364 604 H ASN 80 HN ASN 80 -12.887 -0.315 16.387 605 HA ASN 80 HA ASN 80 -12.538 -2.117 18.592 606 1HB ASN 80 HB2 ASN 80 -14.681 -0.319 17.599 607 2HB ASN 80 HB1 ASN 80 -15.185 -1.670 18.610 608 1HD2 ASN 80 HD21 ASN 80 -13.286 1.250 18.461 609 2HD2 ASN 80 HD22 ASN 80 -13.121 1.465 20.167 610 H ARG 81 HN ARG 81 -12.625 -3.015 15.573 611 HA ARG 81 HA ARG 81 -14.814 -4.818 15.432 612 1HB ARG 81 HB2 ARG 81 -12.453 -4.141 13.817 613 2HB ARG 81 HB1 ARG 81 -12.962 -5.819 13.688 614 1HG ARG 81 HG2 ARG 81 -14.802 -3.474 13.291 615 2HG ARG 81 HG1 ARG 81 -13.945 -4.300 11.984 616 1HD ARG 81 HD2 ARG 81 -15.155 -6.245 12.251 617 2HD ARG 81 HD1 ARG 81 -15.610 -5.863 13.907 618 HE ARG 81 HE ARG 81 -17.479 -4.874 13.081 619 1HH1 ARG 81 HH11 ARG 81 -15.067 -4.891 10.556 620 2HH1 ARG 81 HH12 ARG 81 -16.099 -4.120 9.397 621 1HH2 ARG 81 HH21 ARG 81 -18.837 -3.873 11.555 622 2HH2 ARG 81 HH22 ARG 81 -18.238 -3.547 9.962 623 H HIS 82 HN HIS 82 -12.699 -4.893 17.719 624 HA HIS 82 HA HIS 82 -11.470 -7.446 17.529 625 1HB HIS 82 HB2 HIS 82 -11.393 -5.196 19.276 626 2HB HIS 82 HB1 HIS 82 -11.747 -6.621 20.252 627 HD1 HIS 82 HD1 HIS 82 -9.434 -6.676 21.351 628 HD2 HIS 82 HD2 HIS 82 -9.312 -6.892 17.203 629 HE1 HIS 82 HE1 HIS 82 -7.073 -7.325 20.782 630 HE2 HIS 82 HE2 HIS 82 -7.004 -7.381 18.264 631 H MET 83 HN MET 83 -12.322 -9.376 17.913 632 HA MET 83 HA MET 83 -14.521 -9.688 19.786 633 1HB MET 83 HB2 MET 83 -14.934 -9.591 16.949 634 2HB MET 83 HB1 MET 83 -15.286 -11.213 17.523 635 1HG MET 83 HG2 MET 83 -16.882 -10.356 19.108 636 2HG MET 83 HG1 MET 83 -16.464 -8.699 18.678 637 1HE MET 83 HE1 MET 83 -17.540 -7.372 17.186 638 2HE MET 83 HE2 MET 83 -19.071 -7.909 17.883 639 3HE MET 83 HE3 MET 83 -18.889 -7.799 16.131 640 H ASN 84 HN ASN 84 -14.923 -11.911 20.357 641 HA ASN 84 HA ASN 84 -12.521 -13.555 20.025 642 1HB ASN 84 HB2 ASN 84 -14.520 -13.191 22.161 643 2HB ASN 84 HB1 ASN 84 -14.010 -14.857 21.904 644 1HD2 ASN 84 HD21 ASN 84 -13.506 -12.630 23.970 645 2HD2 ASN 84 HD22 ASN 84 -11.799 -12.711 24.222 646 H VAL 85 HN VAL 85 -14.396 -13.377 17.880 647 HA VAL 85 HA VAL 85 -15.226 -16.191 17.755 648 HB VAL 85 HB VAL 85 -17.243 -14.866 18.171 649 1HG1 VAL 85 HG11 VAL 85 -17.482 -12.830 17.329 650 2HG1 VAL 85 HG12 VAL 85 -17.567 -13.508 15.705 651 3HG1 VAL 85 HG13 VAL 85 -16.011 -13.031 16.381 652 1HG2 VAL 85 HG21 VAL 85 -17.156 -16.875 16.582 653 2HG2 VAL 85 HG22 VAL 85 -17.326 -15.691 15.287 654 3HG2 VAL 85 HG23 VAL 85 -18.581 -15.837 16.517 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 28.813 -2.093 6.521 2 2H GLY 1 HT2 GLY 1 27.879 -3.329 5.843 3 3H GLY 1 HT3 GLY 1 28.377 -3.435 7.454 4 1HA GLY 1 HA1 GLY 1 26.381 -2.618 7.970 5 2HA GLY 1 HA2 GLY 1 27.073 -1.085 7.462 6 H SER 2 HN SER 2 27.064 -0.925 4.908 7 HA SER 2 HA SER 2 24.897 -2.135 3.540 8 1HB SER 2 HB2 SER 2 24.418 0.462 4.911 9 2HB SER 2 HB1 SER 2 23.783 0.288 3.275 10 HG SER 2 HG SER 2 23.003 -1.865 4.259 11 H SER 3 HN SER 3 27.516 -1.909 2.884 12 HA SER 3 HA SER 3 28.196 0.327 1.314 13 1HB SER 3 HB2 SER 3 29.827 -1.349 2.167 14 2HB SER 3 HB1 SER 3 29.198 -2.511 0.999 15 HG SER 3 HG SER 3 30.161 0.021 0.201 16 H LEU 4 HN LEU 4 25.894 -2.069 0.771 17 HA LEU 4 HA LEU 4 26.087 -2.073 -2.114 18 1HB LEU 4 HB2 LEU 4 23.883 -3.176 -0.374 19 2HB LEU 4 HB1 LEU 4 24.147 -3.524 -2.068 20 HG LEU 4 HG LEU 4 24.932 -5.437 -1.049 21 1HD1 LEU 4 HD11 LEU 4 27.612 -4.667 -0.733 22 2HD1 LEU 4 HD12 LEU 4 26.951 -3.654 -2.014 23 3HD1 LEU 4 HD13 LEU 4 26.851 -5.406 -2.141 24 1HD2 LEU 4 HD21 LEU 4 25.528 -3.646 1.195 25 2HD2 LEU 4 HD22 LEU 4 26.663 -4.978 0.982 26 3HD2 LEU 4 HD23 LEU 4 24.940 -5.307 1.186 27 H ALA 5 HN ALA 5 25.491 0.430 -0.485 28 HA ALA 5 HA ALA 5 22.803 1.122 -1.311 29 1HB ALA 5 HB1 ALA 5 24.930 2.483 0.294 30 2HB ALA 5 HB2 ALA 5 23.292 2.031 0.764 31 3HB ALA 5 HB3 ALA 5 23.552 3.395 -0.323 32 H SER 6 HN SER 6 25.519 0.830 -3.025 33 HA SER 6 HA SER 6 25.314 3.359 -4.473 34 1HB SER 6 HB2 SER 6 27.251 1.066 -4.879 35 2HB SER 6 HB1 SER 6 27.345 2.658 -5.631 36 HG SER 6 HG SER 6 28.562 2.066 -3.524 37 H GLN 7 HN GLN 7 23.060 2.542 -5.071 38 HA GLN 7 HA GLN 7 22.805 0.437 -6.958 39 1HB GLN 7 HB2 GLN 7 21.064 2.339 -5.649 40 2HB GLN 7 HB1 GLN 7 20.654 2.194 -7.352 41 1HG GLN 7 HG2 GLN 7 21.024 -0.421 -6.513 42 2HG GLN 7 HG1 GLN 7 20.185 0.360 -5.173 43 1HE2 GLN 7 HE21 GLN 7 20.051 0.473 -8.721 44 2HE2 GLN 7 HE22 GLN 7 18.336 0.301 -8.833 45 H GLY 8 HN GLY 8 23.508 0.430 -8.961 46 1HA GLY 8 HA2 GLY 8 23.911 2.971 -10.370 47 2HA GLY 8 HA1 GLY 8 24.702 1.451 -10.760 48 H GLN 9 HN GLN 9 24.117 1.368 -12.904 49 HA GLN 9 HA GLN 9 21.268 1.495 -13.552 50 1HB GLN 9 HB2 GLN 9 21.990 1.590 -15.892 51 2HB GLN 9 HB1 GLN 9 22.759 2.843 -14.929 52 1HG GLN 9 HG2 GLN 9 24.797 2.081 -15.370 53 2HG GLN 9 HG1 GLN 9 24.337 0.409 -15.061 54 1HE2 GLN 9 HE21 GLN 9 23.009 2.655 -17.430 55 2HE2 GLN 9 HE22 GLN 9 23.459 1.736 -18.824 56 H ASN 10 HN ASN 10 23.968 -0.757 -13.540 57 HA ASN 10 HA ASN 10 22.709 -2.785 -15.052 58 1HB ASN 10 HB2 ASN 10 24.806 -3.243 -12.934 59 2HB ASN 10 HB1 ASN 10 24.479 -4.220 -14.363 60 1HD2 ASN 10 HD21 ASN 10 26.109 -1.494 -13.089 61 2HD2 ASN 10 HD22 ASN 10 26.933 -1.030 -14.533 62 H LEU 11 HN LEU 11 22.577 -1.898 -11.680 63 HA LEU 11 HA LEU 11 21.355 -4.352 -10.826 64 1HB LEU 11 HB2 LEU 11 21.539 -1.674 -9.445 65 2HB LEU 11 HB1 LEU 11 20.995 -3.165 -8.696 66 HG LEU 11 HG LEU 11 23.686 -3.200 -9.949 67 1HD1 LEU 11 HD11 LEU 11 23.076 -1.739 -7.386 68 2HD1 LEU 11 HD12 LEU 11 23.784 -1.073 -8.855 69 3HD1 LEU 11 HD13 LEU 11 24.688 -2.241 -7.898 70 1HD2 LEU 11 HD21 LEU 11 23.212 -4.177 -7.217 71 2HD2 LEU 11 HD22 LEU 11 24.022 -4.951 -8.582 72 3HD2 LEU 11 HD23 LEU 11 22.262 -4.968 -8.477 73 H SER 12 HN SER 12 20.234 -1.165 -11.808 74 HA SER 12 HA SER 12 17.532 -1.521 -11.025 75 1HB SER 12 HB2 SER 12 18.403 0.709 -11.448 76 2HB SER 12 HB1 SER 12 18.749 0.288 -13.126 77 HG SER 12 HG SER 12 16.484 1.224 -12.093 78 H THR 13 HN THR 13 19.393 -2.588 -13.739 79 HA THR 13 HA THR 13 17.183 -3.092 -15.484 80 HB THR 13 HB THR 13 19.349 -4.777 -16.188 81 HG1 THR 13 HG1 THR 13 21.071 -3.764 -15.594 82 1HG2 THR 13 HG21 THR 13 17.910 -3.468 -17.728 83 2HG2 THR 13 HG22 THR 13 19.638 -3.329 -18.058 84 3HG2 THR 13 HG23 THR 13 18.788 -2.019 -17.239 85 H VAL 14 HN VAL 14 19.136 -5.072 -13.282 86 HA VAL 14 HA VAL 14 17.686 -7.478 -13.882 87 HB VAL 14 HB VAL 14 20.077 -7.425 -13.100 88 1HG1 VAL 14 HG11 VAL 14 18.835 -6.951 -10.395 89 2HG1 VAL 14 HG12 VAL 14 19.780 -5.772 -11.303 90 3HG1 VAL 14 HG13 VAL 14 20.539 -7.256 -10.731 91 1HG2 VAL 14 HG21 VAL 14 19.576 -9.340 -11.342 92 2HG2 VAL 14 HG22 VAL 14 19.274 -9.556 -13.067 93 3HG2 VAL 14 HG23 VAL 14 17.943 -9.156 -11.981 94 H LEU 15 HN LEU 15 17.667 -5.080 -11.291 95 HA LEU 15 HA LEU 15 15.531 -6.482 -9.898 96 1HB LEU 15 HB2 LEU 15 17.586 -4.783 -9.093 97 2HB LEU 15 HB1 LEU 15 16.136 -3.818 -8.911 98 HG LEU 15 HG LEU 15 15.168 -5.695 -7.537 99 1HD1 LEU 15 HD11 LEU 15 17.622 -6.954 -8.367 100 2HD1 LEU 15 HD12 LEU 15 16.209 -7.651 -7.575 101 3HD1 LEU 15 HD13 LEU 15 17.487 -6.916 -6.609 102 1HD2 LEU 15 HD21 LEU 15 17.024 -3.682 -6.844 103 2HD2 LEU 15 HD22 LEU 15 17.398 -5.106 -5.874 104 3HD2 LEU 15 HD23 LEU 15 15.775 -4.415 -5.838 105 H ALA 16 HN ALA 16 15.315 -5.040 -12.625 106 HA ALA 16 HA ALA 16 13.484 -2.887 -12.171 107 1HB ALA 16 HB1 ALA 16 13.216 -3.891 -14.812 108 2HB ALA 16 HB2 ALA 16 14.924 -3.944 -14.374 109 3HB ALA 16 HB3 ALA 16 14.033 -2.426 -14.267 110 H ASN 17 HN ASN 17 13.163 -6.247 -12.048 111 HA ASN 17 HA ASN 17 10.414 -6.329 -12.964 112 1HB ASN 17 HB2 ASN 17 12.488 -8.288 -12.249 113 2HB ASN 17 HB1 ASN 17 10.860 -8.749 -11.758 114 1HD2 ASN 17 HD21 ASN 17 13.012 -9.183 -14.092 115 2HD2 ASN 17 HD22 ASN 17 11.974 -9.401 -15.457 116 H LEU 18 HN LEU 18 11.391 -4.790 -10.497 117 HA LEU 18 HA LEU 18 9.499 -5.968 -8.581 118 1HB LEU 18 HB2 LEU 18 11.965 -4.312 -8.025 119 2HB LEU 18 HB1 LEU 18 10.842 -4.889 -6.810 120 HG LEU 18 HG LEU 18 12.657 -6.363 -6.687 121 1HD1 LEU 18 HD11 LEU 18 11.773 -8.486 -7.293 122 2HD1 LEU 18 HD12 LEU 18 10.763 -7.773 -8.550 123 3HD1 LEU 18 HD13 LEU 18 10.414 -7.450 -6.852 124 1HD2 LEU 18 HD21 LEU 18 13.577 -7.514 -8.711 125 2HD2 LEU 18 HD22 LEU 18 13.880 -5.778 -8.643 126 3HD2 LEU 18 HD23 LEU 18 12.622 -6.411 -9.698 127 H THR 19 HN THR 19 8.071 -4.577 -10.128 128 HA THR 19 HA THR 19 8.184 -1.746 -9.590 129 HB THR 19 HB THR 19 6.162 -3.354 -11.157 130 HG1 THR 19 HG1 THR 19 7.447 -3.111 -12.792 131 1HG2 THR 19 HG21 THR 19 6.630 -0.413 -11.405 132 2HG2 THR 19 HG22 THR 19 5.418 -1.073 -10.304 133 3HG2 THR 19 HG23 THR 19 5.301 -1.383 -12.037 134 HA PRO 20 HA PRO 20 4.016 -2.597 -7.345 135 1HB PRO 20 HB2 PRO 20 3.307 -5.166 -6.839 136 2HB PRO 20 HB1 PRO 20 2.832 -4.313 -8.313 137 1HG PRO 20 HG2 PRO 20 5.078 -6.247 -7.883 138 2HG PRO 20 HG1 PRO 20 3.921 -6.159 -9.226 139 1HD PRO 20 HD2 PRO 20 6.426 -5.179 -9.425 140 2HD PRO 20 HD1 PRO 20 5.046 -4.428 -10.250 141 H GLU 21 HN GLU 21 6.928 -4.347 -6.786 142 HA GLU 21 HA GLU 21 6.410 -4.880 -4.002 143 1HB GLU 21 HB2 GLU 21 7.949 -6.246 -5.492 144 2HB GLU 21 HB1 GLU 21 9.097 -4.919 -5.374 145 1HG GLU 21 HG2 GLU 21 9.271 -5.202 -3.000 146 2HG GLU 21 HG1 GLU 21 7.987 -6.408 -3.007 147 H GLN 22 HN GLN 22 8.423 -2.592 -5.831 148 HA GLN 22 HA GLN 22 9.347 -1.243 -3.487 149 1HB GLN 22 HB2 GLN 22 9.369 -0.317 -6.363 150 2HB GLN 22 HB1 GLN 22 10.283 0.398 -5.043 151 1HG GLN 22 HG2 GLN 22 10.612 -2.450 -5.938 152 2HG GLN 22 HG1 GLN 22 11.581 -1.111 -6.550 153 1HE2 GLN 22 HE21 GLN 22 13.509 -1.837 -5.744 154 2HE2 GLN 22 HE22 GLN 22 13.871 -1.900 -4.058 155 H GLN 23 HN GLN 23 6.980 -0.433 -6.023 156 HA GLN 23 HA GLN 23 6.182 2.043 -5.061 157 1HB GLN 23 HB2 GLN 23 5.520 0.897 -7.244 158 2HB GLN 23 HB1 GLN 23 4.290 0.056 -6.311 159 1HG GLN 23 HG2 GLN 23 3.019 1.787 -6.977 160 2HG GLN 23 HG1 GLN 23 3.748 2.570 -5.575 161 1HE2 GLN 23 HE21 GLN 23 4.442 1.984 -9.008 162 2HE2 GLN 23 HE22 GLN 23 5.062 3.563 -9.328 163 H LYS 24 HN LYS 24 4.645 -1.121 -4.408 164 HA LYS 24 HA LYS 24 2.746 -0.221 -2.588 165 1HB LYS 24 HB2 LYS 24 4.127 -2.855 -2.964 166 2HB LYS 24 HB1 LYS 24 3.026 -2.621 -1.616 167 1HG LYS 24 HG2 LYS 24 2.294 -2.192 -4.503 168 2HG LYS 24 HG1 LYS 24 1.972 -3.665 -3.590 169 1HD LYS 24 HD2 LYS 24 0.059 -2.755 -2.913 170 2HD LYS 24 HD1 LYS 24 0.998 -1.567 -2.009 171 1HE LYS 24 HE2 LYS 24 0.974 -0.049 -3.861 172 2HE LYS 24 HE1 LYS 24 0.248 -1.264 -4.911 173 1HZ LYS 24 HZ1 LYS 24 -1.597 -0.106 -4.334 174 2HZ LYS 24 HZ2 LYS 24 -0.985 0.377 -2.834 175 3HZ LYS 24 HZ3 LYS 24 -1.585 -1.192 -3.038 176 H ASN 25 HN ASN 25 6.160 -0.629 -2.203 177 HA ASN 25 HA ASN 25 6.096 -0.710 0.674 178 1HB ASN 25 HB2 ASN 25 8.024 -1.191 -1.358 179 2HB ASN 25 HB1 ASN 25 8.667 0.072 -0.310 180 1HD2 ASN 25 HD21 ASN 25 9.862 -0.674 1.269 181 2HD2 ASN 25 HD22 ASN 25 9.654 -2.181 2.088 182 H VAL 26 HN VAL 26 7.268 1.692 -1.703 183 HA VAL 26 HA VAL 26 7.856 3.725 0.088 184 HB VAL 26 HB VAL 26 8.342 3.642 -2.412 185 1HG1 VAL 26 HG11 VAL 26 6.791 4.738 -3.906 186 2HG1 VAL 26 HG12 VAL 26 5.638 4.946 -2.589 187 3HG1 VAL 26 HG13 VAL 26 6.032 3.330 -3.168 188 1HG2 VAL 26 HG21 VAL 26 8.430 6.084 -2.592 189 2HG2 VAL 26 HG22 VAL 26 8.957 5.525 -1.003 190 3HG2 VAL 26 HG23 VAL 26 7.347 6.214 -1.207 191 H LEU 27 HN LEU 27 4.824 3.036 -1.575 192 HA LEU 27 HA LEU 27 3.342 5.231 -0.722 193 1HB LEU 27 HB2 LEU 27 2.330 2.420 -1.149 194 2HB LEU 27 HB1 LEU 27 1.349 3.873 -1.125 195 HG LEU 27 HG LEU 27 3.390 3.090 -3.201 196 1HD1 LEU 27 HD11 LEU 27 0.717 3.820 -4.057 197 2HD1 LEU 27 HD12 LEU 27 0.725 2.440 -2.958 198 3HD1 LEU 27 HD13 LEU 27 1.681 2.393 -4.441 199 1HD2 LEU 27 HD21 LEU 27 3.224 5.150 -4.221 200 2HD2 LEU 27 HD22 LEU 27 3.255 5.596 -2.516 201 3HD2 LEU 27 HD23 LEU 27 1.727 5.557 -3.386 202 H GLY 28 HN GLY 28 3.735 2.066 0.869 203 1HA GLY 28 HA2 GLY 28 2.018 2.549 3.027 204 2HA GLY 28 HA1 GLY 28 3.364 1.419 3.040 205 H GLU 29 HN GLU 29 5.443 3.347 2.624 206 HA GLU 29 HA GLU 29 5.793 4.217 5.323 207 1HB GLU 29 HB2 GLU 29 7.375 4.609 2.788 208 2HB GLU 29 HB1 GLU 29 7.833 5.406 4.286 209 1HG GLU 29 HG2 GLU 29 7.472 2.433 4.085 210 2HG GLU 29 HG1 GLU 29 9.003 3.233 3.740 211 H ARG 30 HN ARG 30 5.336 5.918 2.235 212 HA ARG 30 HA ARG 30 5.180 8.508 3.381 213 1HB ARG 30 HB2 ARG 30 4.031 7.551 0.749 214 2HB ARG 30 HB1 ARG 30 4.350 9.221 1.203 215 1HG ARG 30 HG2 ARG 30 6.789 7.984 1.566 216 2HG ARG 30 HG1 ARG 30 6.142 7.217 0.114 217 1HD ARG 30 HD2 ARG 30 5.556 9.842 -0.332 218 2HD ARG 30 HD1 ARG 30 7.083 9.961 0.540 219 HE ARG 30 HE ARG 30 7.656 8.108 -1.298 220 1HH1 ARG 30 HH11 ARG 30 6.115 11.228 -1.583 221 2HH1 ARG 30 HH12 ARG 30 6.656 11.483 -3.208 222 1HH2 ARG 30 HH21 ARG 30 8.365 8.444 -3.433 223 2HH2 ARG 30 HH22 ARG 30 7.932 9.904 -4.258 224 H LEU 31 HN LEU 31 2.994 5.899 3.285 225 HA LEU 31 HA LEU 31 0.551 7.352 3.276 226 1HB LEU 31 HB2 LEU 31 1.393 4.657 3.251 227 2HB LEU 31 HB1 LEU 31 0.357 4.836 4.640 228 HG LEU 31 HG LEU 31 -0.970 6.104 2.516 229 1HD1 LEU 31 HD11 LEU 31 0.393 5.029 0.892 230 2HD1 LEU 31 HD12 LEU 31 -1.168 4.203 0.922 231 3HD1 LEU 31 HD13 LEU 31 0.232 3.470 1.710 232 1HD2 LEU 31 HD21 LEU 31 -2.380 3.900 2.767 233 2HD2 LEU 31 HD22 LEU 31 -2.331 5.086 4.066 234 3HD2 LEU 31 HD23 LEU 31 -1.325 3.642 4.155 235 H TYR 32 HN TYR 32 2.168 5.520 5.841 236 HA TYR 32 HA TYR 32 0.654 6.243 7.990 237 1HB TYR 32 HB2 TYR 32 2.687 4.647 7.777 238 2HB TYR 32 HB1 TYR 32 3.652 6.052 8.203 239 HD1 TYR 32 HD1 TYR 32 2.811 7.316 10.375 240 HD2 TYR 32 HD2 TYR 32 1.985 3.251 9.461 241 HE1 TYR 32 HE1 TYR 32 2.401 6.869 12.761 242 HE2 TYR 32 HE2 TYR 32 1.575 2.790 11.842 243 HH TYR 32 HH TYR 32 1.259 5.284 14.169 244 H ASN 33 HN ASN 33 3.040 8.203 6.350 245 HA ASN 33 HA ASN 33 3.354 10.130 8.405 246 1HB ASN 33 HB2 ASN 33 5.104 10.115 6.883 247 2HB ASN 33 HB1 ASN 33 4.033 9.988 5.495 248 1HD2 ASN 33 HD21 ASN 33 2.651 11.936 5.098 249 2HD2 ASN 33 HD22 ASN 33 3.397 13.481 5.316 250 H HIS 34 HN HIS 34 1.184 9.985 5.611 251 HA HIS 34 HA HIS 34 0.209 12.609 5.855 252 1HB HIS 34 HB2 HIS 34 -1.610 11.902 4.448 253 2HB HIS 34 HB1 HIS 34 -0.141 11.135 3.862 254 HD1 HIS 34 HD1 HIS 34 -0.555 8.755 3.257 255 HD2 HIS 34 HD2 HIS 34 -2.972 10.032 6.347 256 HE1 HIS 34 HE1 HIS 34 -1.906 6.750 3.948 257 HE2 HIS 34 HE2 HIS 34 -3.222 7.505 5.925 258 H ILE 35 HN ILE 35 -0.797 9.581 7.279 259 HA ILE 35 HA ILE 35 -2.962 10.871 8.738 260 HB ILE 35 HB ILE 35 -3.594 8.825 7.692 261 1HG1 ILE 35 HG12 ILE 35 -3.439 7.672 10.373 262 2HG1 ILE 35 HG11 ILE 35 -4.013 9.337 10.352 263 1HG2 ILE 35 HG21 ILE 35 -2.515 6.789 7.842 264 2HG2 ILE 35 HG22 ILE 35 -1.618 7.261 9.286 265 3HG2 ILE 35 HG23 ILE 35 -1.187 7.941 7.722 266 1HD1 ILE 35 HD11 ILE 35 -5.938 8.804 9.315 267 2HD1 ILE 35 HD12 ILE 35 -5.619 7.230 10.046 268 3HD1 ILE 35 HD13 ILE 35 -5.195 7.521 8.358 269 H VAL 36 HN VAL 36 0.263 9.673 9.397 270 HA VAL 36 HA VAL 36 0.029 9.059 12.097 271 HB VAL 36 HB VAL 36 2.143 8.748 10.896 272 1HG1 VAL 36 HG11 VAL 36 2.620 11.704 11.147 273 2HG1 VAL 36 HG12 VAL 36 2.032 10.938 9.671 274 3HG1 VAL 36 HG13 VAL 36 3.614 10.508 10.315 275 1HG2 VAL 36 HG21 VAL 36 3.667 9.822 12.684 276 2HG2 VAL 36 HG22 VAL 36 2.482 8.616 13.182 277 3HG2 VAL 36 HG23 VAL 36 2.150 10.328 13.431 278 H ALA 37 HN ALA 37 0.654 12.212 10.602 279 HA ALA 37 HA ALA 37 0.556 13.612 13.096 280 1HB ALA 37 HB1 ALA 37 0.432 14.722 10.292 281 2HB ALA 37 HB2 ALA 37 1.916 14.377 11.180 282 3HB ALA 37 HB3 ALA 37 0.806 15.617 11.764 283 H ILE 38 HN ILE 38 -1.735 12.617 10.722 284 HA ILE 38 HA ILE 38 -3.738 14.526 11.663 285 HB ILE 38 HB ILE 38 -3.770 12.487 9.440 286 1HG1 ILE 38 HG12 ILE 38 -4.121 14.445 8.024 287 2HG1 ILE 38 HG11 ILE 38 -4.215 15.485 9.438 288 1HG2 ILE 38 HG21 ILE 38 -6.108 14.248 10.136 289 2HG2 ILE 38 HG22 ILE 38 -5.986 12.575 10.682 290 3HG2 ILE 38 HG23 ILE 38 -6.040 12.938 8.958 291 1HD1 ILE 38 HD11 ILE 38 -1.914 14.575 7.957 292 2HD1 ILE 38 HD12 ILE 38 -1.756 14.238 9.676 293 3HD1 ILE 38 HD13 ILE 38 -2.062 15.884 9.127 294 H ASN 39 HN ASN 39 -3.782 10.988 11.181 295 HA ASN 39 HA ASN 39 -5.314 10.764 13.687 296 1HB ASN 39 HB2 ASN 39 -6.384 10.258 11.257 297 2HB ASN 39 HB1 ASN 39 -5.720 8.673 11.635 298 1HD2 ASN 39 HD21 ASN 39 -7.714 7.723 11.842 299 2HD2 ASN 39 HD22 ASN 39 -8.769 8.042 13.173 300 HA PRO 40 HA PRO 40 -1.258 8.450 14.067 301 1HB PRO 40 HB2 PRO 40 -1.989 8.946 16.902 302 2HB PRO 40 HB1 PRO 40 -0.432 9.136 16.088 303 1HG PRO 40 HG2 PRO 40 -1.971 11.241 16.764 304 2HG PRO 40 HG1 PRO 40 -0.939 11.241 15.328 305 1HD PRO 40 HD2 PRO 40 -3.885 11.013 15.541 306 2HD PRO 40 HD1 PRO 40 -2.892 11.654 14.217 307 H ALA 41 HN ALA 41 -4.367 8.156 15.715 308 HA ALA 41 HA ALA 41 -3.834 5.396 16.456 309 1HB ALA 41 HB1 ALA 41 -6.415 6.907 16.798 310 2HB ALA 41 HB2 ALA 41 -5.070 7.013 17.934 311 3HB ALA 41 HB3 ALA 41 -5.876 5.469 17.665 312 H ALA 42 HN ALA 42 -3.715 5.671 13.717 313 HA ALA 42 HA ALA 42 -5.741 3.820 12.886 314 1HB ALA 42 HB1 ALA 42 -7.163 5.511 12.309 315 2HB ALA 42 HB2 ALA 42 -6.201 5.426 10.833 316 3HB ALA 42 HB3 ALA 42 -5.857 6.665 12.039 317 H ALA 43 HN ALA 43 -3.137 6.014 12.008 318 HA ALA 43 HA ALA 43 -2.202 5.263 9.625 319 1HB ALA 43 HB1 ALA 43 0.117 5.528 10.564 320 2HB ALA 43 HB2 ALA 43 -0.624 5.654 12.157 321 3HB ALA 43 HB3 ALA 43 -0.992 6.851 10.919 322 H ALA 44 HN ALA 44 -1.324 3.516 12.603 323 HA ALA 44 HA ALA 44 0.129 1.471 11.534 324 1HB ALA 44 HB1 ALA 44 -1.664 1.572 13.928 325 2HB ALA 44 HB2 ALA 44 0.098 1.605 13.861 326 3HB ALA 44 HB3 ALA 44 -0.769 0.109 13.515 327 H LYS 45 HN LYS 45 -3.344 1.821 11.625 328 HA LYS 45 HA LYS 45 -3.791 -0.834 10.546 329 1HB LYS 45 HB2 LYS 45 -5.444 1.289 11.742 330 2HB LYS 45 HB1 LYS 45 -6.225 0.382 10.454 331 1HG LYS 45 HG2 LYS 45 -4.970 -0.818 12.915 332 2HG LYS 45 HG1 LYS 45 -6.696 -0.540 12.673 333 1HD LYS 45 HD2 LYS 45 -6.883 -2.217 11.100 334 2HD LYS 45 HD1 LYS 45 -5.175 -2.141 10.661 335 1HE LYS 45 HE2 LYS 45 -4.666 -3.041 12.961 336 2HE LYS 45 HE1 LYS 45 -6.393 -3.328 13.142 337 1HZ LYS 45 HZ1 LYS 45 -5.598 -4.421 10.702 338 2HZ LYS 45 HZ2 LYS 45 -6.142 -5.234 12.079 339 3HZ LYS 45 HZ3 LYS 45 -4.490 -4.941 11.870 340 H VAL 46 HN VAL 46 -4.264 2.534 9.533 341 HA VAL 46 HA VAL 46 -5.347 2.007 7.006 342 HB VAL 46 HB VAL 46 -3.588 4.372 7.654 343 1HG1 VAL 46 HG11 VAL 46 -4.168 5.095 5.638 344 2HG1 VAL 46 HG12 VAL 46 -5.872 4.990 6.082 345 3HG1 VAL 46 HG13 VAL 46 -5.064 3.601 5.359 346 1HG2 VAL 46 HG21 VAL 46 -5.164 4.270 9.433 347 2HG2 VAL 46 HG22 VAL 46 -6.485 3.891 8.331 348 3HG2 VAL 46 HG23 VAL 46 -5.746 5.491 8.305 349 H THR 47 HN THR 47 -1.984 2.486 8.009 350 HA THR 47 HA THR 47 -0.875 2.253 5.414 351 HB THR 47 HB THR 47 0.348 1.897 8.155 352 HG1 THR 47 HG1 THR 47 0.685 3.973 8.062 353 1HG2 THR 47 HG21 THR 47 1.710 2.048 5.481 354 2HG2 THR 47 HG22 THR 47 1.802 0.743 6.663 355 3HG2 THR 47 HG23 THR 47 2.521 2.312 7.024 356 H GLY 48 HN GLY 48 -0.999 -0.055 8.120 357 1HA GLY 48 HA2 GLY 48 0.162 -2.188 6.676 358 2HA GLY 48 HA1 GLY 48 -0.747 -2.337 8.177 359 H MET 49 HN MET 49 -3.215 -1.529 7.540 360 HA MET 49 HA MET 49 -4.191 -3.751 6.033 361 1HB MET 49 HB2 MET 49 -5.642 -1.351 7.162 362 2HB MET 49 HB1 MET 49 -6.429 -2.733 6.420 363 1HG MET 49 HG2 MET 49 -4.671 -2.867 8.853 364 2HG MET 49 HG1 MET 49 -6.433 -2.811 8.877 365 1HE MET 49 HE1 MET 49 -3.787 -5.858 6.950 366 2HE MET 49 HE2 MET 49 -3.521 -5.875 8.694 367 3HE MET 49 HE3 MET 49 -3.341 -4.373 7.787 368 H LEU 50 HN LEU 50 -4.190 -0.235 5.520 369 HA LEU 50 HA LEU 50 -5.101 0.897 3.666 370 1HB LEU 50 HB2 LEU 50 -2.710 1.124 3.615 371 2HB LEU 50 HB1 LEU 50 -2.537 -0.410 2.789 372 HG LEU 50 HG LEU 50 -3.791 0.565 0.855 373 1HD1 LEU 50 HD11 LEU 50 -4.927 2.442 1.241 374 2HD1 LEU 50 HD12 LEU 50 -3.376 3.274 1.138 375 3HD1 LEU 50 HD13 LEU 50 -4.013 2.791 2.709 376 1HD2 LEU 50 HD21 LEU 50 -1.885 1.431 -0.102 377 2HD2 LEU 50 HD22 LEU 50 -1.223 0.489 1.237 378 3HD2 LEU 50 HD23 LEU 50 -1.378 2.239 1.381 379 H LEU 51 HN LEU 51 -3.711 -2.058 2.200 380 HA LEU 51 HA LEU 51 -5.566 -2.043 0.063 381 1HB LEU 51 HB2 LEU 51 -3.701 -4.185 1.070 382 2HB LEU 51 HB1 LEU 51 -4.609 -4.289 -0.426 383 HG LEU 51 HG LEU 51 -3.244 -1.866 -0.617 384 1HD1 LEU 51 HD11 LEU 51 -1.884 -2.595 1.328 385 2HD1 LEU 51 HD12 LEU 51 -0.946 -2.361 -0.146 386 3HD1 LEU 51 HD13 LEU 51 -1.360 -3.991 0.385 387 1HD2 LEU 51 HD21 LEU 51 -1.940 -3.051 -2.337 388 2HD2 LEU 51 HD22 LEU 51 -3.667 -3.387 -2.448 389 3HD2 LEU 51 HD23 LEU 51 -2.579 -4.582 -1.742 390 H GLU 52 HN GLU 52 -7.420 -1.835 1.719 391 HA GLU 52 HA GLU 52 -8.295 -4.466 2.658 392 1HB GLU 52 HB2 GLU 52 -9.264 -1.672 3.269 393 2HB GLU 52 HB1 GLU 52 -10.083 -3.123 3.831 394 1HG GLU 52 HG2 GLU 52 -7.200 -2.919 4.422 395 2HG GLU 52 HG1 GLU 52 -8.270 -1.807 5.275 396 H MET 53 HN MET 53 -10.917 -4.442 2.598 397 HA MET 53 HA MET 53 -11.610 -4.967 -0.049 398 1HB MET 53 HB2 MET 53 -13.000 -4.802 2.532 399 2HB MET 53 HB1 MET 53 -14.027 -4.447 1.153 400 1HG MET 53 HG2 MET 53 -12.376 -6.936 1.518 401 2HG MET 53 HG1 MET 53 -14.115 -6.800 1.775 402 1HE MET 53 HE1 MET 53 -15.380 -5.387 0.073 403 2HE MET 53 HE2 MET 53 -15.840 -6.540 -1.180 404 3HE MET 53 HE3 MET 53 -14.881 -5.122 -1.596 405 H ASP 54 HN ASP 54 -12.756 -2.249 1.967 406 HA ASP 54 HA ASP 54 -13.488 -0.794 -0.455 407 1HB ASP 54 HB2 ASP 54 -15.170 -0.838 1.259 408 2HB ASP 54 HB1 ASP 54 -14.032 -0.261 2.471 409 H ASN 55 HN ASN 55 -12.002 0.244 2.625 410 HA ASN 55 HA ASN 55 -10.811 2.546 1.807 411 1HB ASN 55 HB2 ASN 55 -10.760 1.638 4.135 412 2HB ASN 55 HB1 ASN 55 -9.477 0.541 3.636 413 1HD2 ASN 55 HD21 ASN 55 -7.889 1.346 4.919 414 2HD2 ASN 55 HD22 ASN 55 -7.224 2.930 4.749 415 H GLY 56 HN GLY 56 -9.827 -0.707 1.030 416 1HA GLY 56 HA2 GLY 56 -7.221 -0.034 0.080 417 2HA GLY 56 HA1 GLY 56 -8.088 -1.530 -0.231 418 H GLU 57 HN GLU 57 -10.140 -1.059 -1.735 419 HA GLU 57 HA GLU 57 -9.383 -0.755 -4.275 420 1HB GLU 57 HB2 GLU 57 -11.919 0.466 -3.191 421 2HB GLU 57 HB1 GLU 57 -11.617 0.000 -4.859 422 1HG GLU 57 HG2 GLU 57 -11.137 -2.206 -3.071 423 2HG GLU 57 HG1 GLU 57 -12.761 -1.550 -2.856 424 H ILE 58 HN ILE 58 -10.331 2.006 -2.247 425 HA ILE 58 HA ILE 58 -9.933 4.004 -4.173 426 HB ILE 58 HB ILE 58 -9.749 4.131 -1.160 427 1HG1 ILE 58 HG12 ILE 58 -11.977 5.356 -2.679 428 2HG1 ILE 58 HG11 ILE 58 -11.922 3.598 -2.668 429 1HG2 ILE 58 HG21 ILE 58 -10.430 6.631 -2.415 430 2HG2 ILE 58 HG22 ILE 58 -8.855 6.067 -2.972 431 3HG2 ILE 58 HG23 ILE 58 -9.161 6.273 -1.246 432 1HD1 ILE 58 HD11 ILE 58 -11.587 4.038 -0.065 433 2HD1 ILE 58 HD12 ILE 58 -13.176 3.906 -0.822 434 3HD1 ILE 58 HD13 ILE 58 -12.488 5.494 -0.484 435 H LEU 59 HN LEU 59 -7.738 2.588 -1.788 436 HA LEU 59 HA LEU 59 -5.528 4.093 -1.828 437 1HB LEU 59 HB2 LEU 59 -4.344 2.251 -1.173 438 2HB LEU 59 HB1 LEU 59 -5.980 1.713 -0.878 439 HG LEU 59 HG LEU 59 -5.775 0.697 -3.299 440 1HD1 LEU 59 HD11 LEU 59 -2.920 0.386 -2.498 441 2HD1 LEU 59 HD12 LEU 59 -3.399 1.832 -3.381 442 3HD1 LEU 59 HD13 LEU 59 -3.666 0.237 -4.089 443 1HD2 LEU 59 HD21 LEU 59 -6.171 -0.858 -1.675 444 2HD2 LEU 59 HD22 LEU 59 -4.830 -0.317 -0.667 445 3HD2 LEU 59 HD23 LEU 59 -4.519 -1.295 -2.100 446 H ASN 60 HN ASN 60 -6.642 2.106 -4.499 447 HA ASN 60 HA ASN 60 -4.485 1.988 -6.159 448 1HB ASN 60 HB2 ASN 60 -7.001 1.264 -6.470 449 2HB ASN 60 HB1 ASN 60 -7.103 2.779 -7.364 450 1HD2 ASN 60 HD21 ASN 60 -5.862 -0.438 -7.309 451 2HD2 ASN 60 HD22 ASN 60 -5.247 -0.458 -8.924 452 H LEU 61 HN LEU 61 -6.402 4.821 -5.425 453 HA LEU 61 HA LEU 61 -4.581 6.417 -7.107 454 1HB LEU 61 HB2 LEU 61 -7.443 7.147 -6.579 455 2HB LEU 61 HB1 LEU 61 -6.348 7.869 -7.739 456 HG LEU 61 HG LEU 61 -6.463 5.244 -8.539 457 1HD1 LEU 61 HD11 LEU 61 -9.120 6.081 -7.439 458 2HD1 LEU 61 HD12 LEU 61 -8.233 4.582 -7.158 459 3HD1 LEU 61 HD13 LEU 61 -8.967 4.890 -8.730 460 1HD2 LEU 61 HD21 LEU 61 -7.756 7.776 -9.426 461 2HD2 LEU 61 HD22 LEU 61 -8.169 6.265 -10.237 462 3HD2 LEU 61 HD23 LEU 61 -6.496 6.821 -10.209 463 H LEU 62 HN LEU 62 -3.727 6.093 -4.659 464 HA LEU 62 HA LEU 62 -4.440 7.225 -2.413 465 1HB LEU 62 HB2 LEU 62 -1.839 7.737 -3.826 466 2HB LEU 62 HB1 LEU 62 -2.113 8.194 -2.157 467 HG LEU 62 HG LEU 62 -2.677 5.386 -2.841 468 1HD1 LEU 62 HD11 LEU 62 -0.760 5.130 -3.975 469 2HD1 LEU 62 HD12 LEU 62 -0.029 5.170 -2.370 470 3HD1 LEU 62 HD13 LEU 62 -0.071 6.632 -3.355 471 1HD2 LEU 62 HD21 LEU 62 -1.665 4.997 -0.680 472 2HD2 LEU 62 HD22 LEU 62 -2.858 6.288 -0.556 473 3HD2 LEU 62 HD23 LEU 62 -1.136 6.676 -0.593 474 H ASP 63 HN ASP 63 -6.025 8.787 -2.539 475 HA ASP 63 HA ASP 63 -5.192 11.432 -3.517 476 1HB ASP 63 HB2 ASP 63 -7.441 9.998 -4.199 477 2HB ASP 63 HB1 ASP 63 -8.047 11.080 -2.948 478 H THR 64 HN THR 64 -6.237 13.289 -2.324 479 HA THR 64 HA THR 64 -5.546 13.037 0.431 480 HB THR 64 HB THR 64 -6.978 15.411 -0.728 481 HG1 THR 64 HG1 THR 64 -4.504 15.925 -1.066 482 1HG2 THR 64 HG21 THR 64 -6.323 15.315 1.704 483 2HG2 THR 64 HG22 THR 64 -5.721 16.694 0.784 484 3HG2 THR 64 HG23 THR 64 -4.646 15.345 1.156 485 HA PRO 65 HA PRO 65 -10.205 13.581 1.228 486 1HB PRO 65 HB2 PRO 65 -11.954 13.456 -0.837 487 2HB PRO 65 HB1 PRO 65 -11.198 14.957 -0.301 488 1HG PRO 65 HG2 PRO 65 -10.590 13.272 -2.665 489 2HG PRO 65 HG1 PRO 65 -10.459 15.025 -2.468 490 1HD PRO 65 HD2 PRO 65 -8.342 13.212 -2.364 491 2HD PRO 65 HD1 PRO 65 -8.310 14.878 -1.765 492 H GLY 66 HN GLY 66 -10.417 11.629 -1.761 493 1HA GLY 66 HA2 GLY 66 -12.029 9.619 -0.909 494 2HA GLY 66 HA1 GLY 66 -10.730 9.366 -2.068 495 H LEU 67 HN LEU 67 -8.467 9.359 -0.829 496 HA LEU 67 HA LEU 67 -8.375 6.975 0.614 497 1HB LEU 67 HB2 LEU 67 -6.580 8.923 -0.378 498 2HB LEU 67 HB1 LEU 67 -6.153 8.615 1.287 499 HG LEU 67 HG LEU 67 -4.960 7.232 -0.453 500 1HD1 LEU 67 HD11 LEU 67 -5.378 6.667 2.044 501 2HD1 LEU 67 HD12 LEU 67 -4.765 5.416 0.960 502 3HD1 LEU 67 HD13 LEU 67 -6.475 5.443 1.400 503 1HD2 LEU 67 HD21 LEU 67 -7.335 6.903 -1.594 504 2HD2 LEU 67 HD22 LEU 67 -7.329 5.459 -0.579 505 3HD2 LEU 67 HD23 LEU 67 -6.039 5.720 -1.755 506 H LEU 68 HN LEU 68 -7.501 10.175 1.955 507 HA LEU 68 HA LEU 68 -7.424 9.568 4.601 508 1HB LEU 68 HB2 LEU 68 -8.153 12.005 3.125 509 2HB LEU 68 HB1 LEU 68 -8.628 11.969 4.808 510 HG LEU 68 HG LEU 68 -6.269 11.498 5.430 511 1HD1 LEU 68 HD11 LEU 68 -5.898 10.758 2.859 512 2HD1 LEU 68 HD12 LEU 68 -4.598 11.213 3.960 513 3HD1 LEU 68 HD13 LEU 68 -5.248 12.396 2.826 514 1HD2 LEU 68 HD21 LEU 68 -7.450 13.895 4.775 515 2HD2 LEU 68 HD22 LEU 68 -5.911 13.955 3.917 516 3HD2 LEU 68 HD23 LEU 68 -5.937 13.686 5.660 517 H ASP 69 HN ASP 69 -10.410 10.384 2.840 518 HA ASP 69 HA ASP 69 -12.148 10.237 5.024 519 1HB ASP 69 HB2 ASP 69 -12.738 11.093 2.746 520 2HB ASP 69 HB1 ASP 69 -12.783 9.427 2.179 521 H ALA 70 HN ALA 70 -11.553 7.713 2.568 522 HA ALA 70 HA ALA 70 -12.848 5.678 4.069 523 1HB ALA 70 HB1 ALA 70 -10.944 5.505 1.739 524 2HB ALA 70 HB2 ALA 70 -12.707 5.484 1.682 525 3HB ALA 70 HB3 ALA 70 -11.833 4.137 2.409 526 H LYS 71 HN LYS 71 -9.901 7.173 4.571 527 HA LYS 71 HA LYS 71 -8.435 4.866 5.487 528 1HB LYS 71 HB2 LYS 71 -7.941 7.810 5.368 529 2HB LYS 71 HB1 LYS 71 -6.946 6.823 6.431 530 1HG LYS 71 HG2 LYS 71 -6.599 5.357 4.305 531 2HG LYS 71 HG1 LYS 71 -7.110 6.806 3.450 532 1HD LYS 71 HD2 LYS 71 -4.985 6.988 5.538 533 2HD LYS 71 HD1 LYS 71 -4.582 6.404 3.922 534 1HE LYS 71 HE2 LYS 71 -6.168 8.715 3.612 535 2HE LYS 71 HE1 LYS 71 -4.949 9.089 4.825 536 1HZ LYS 71 HZ1 LYS 71 -3.621 9.474 3.092 537 2HZ LYS 71 HZ2 LYS 71 -4.664 8.718 1.994 538 3HZ LYS 71 HZ3 LYS 71 -3.561 7.794 2.873 539 H VAL 72 HN VAL 72 -9.768 7.783 7.054 540 HA VAL 72 HA VAL 72 -9.381 6.711 9.688 541 HB VAL 72 HB VAL 72 -10.673 8.674 10.466 542 1HG1 VAL 72 HG11 VAL 72 -8.330 8.966 10.282 543 2HG1 VAL 72 HG12 VAL 72 -9.074 10.407 9.587 544 3HG1 VAL 72 HG13 VAL 72 -8.422 9.153 8.532 545 1HG2 VAL 72 HG21 VAL 72 -11.119 9.026 7.531 546 2HG2 VAL 72 HG22 VAL 72 -11.081 10.428 8.598 547 3HG2 VAL 72 HG23 VAL 72 -12.267 9.150 8.862 548 H GLN 73 HN GLN 73 -12.240 7.312 7.641 549 HA GLN 73 HA GLN 73 -14.208 6.479 9.374 550 1HB GLN 73 HB2 GLN 73 -14.101 5.985 6.395 551 2HB GLN 73 HB1 GLN 73 -15.552 5.977 7.388 552 1HG GLN 73 HG2 GLN 73 -13.758 8.364 7.007 553 2HG GLN 73 HG1 GLN 73 -15.235 8.056 6.091 554 1HE2 GLN 73 HE21 GLN 73 -14.081 9.862 8.471 555 2HE2 GLN 73 HE22 GLN 73 -15.485 10.043 9.460 556 H GLU 74 HN GLU 74 -12.532 4.449 6.962 557 HA GLU 74 HA GLU 74 -13.705 2.034 7.841 558 1HB GLU 74 HB2 GLU 74 -12.744 2.256 5.620 559 2HB GLU 74 HB1 GLU 74 -11.144 2.492 6.311 560 1HG GLU 74 HG2 GLU 74 -10.805 0.312 6.501 561 2HG GLU 74 HG1 GLU 74 -12.373 0.055 7.261 562 H ALA 75 HN ALA 75 -10.629 3.613 8.583 563 HA ALA 75 HA ALA 75 -9.516 1.579 10.150 564 1HB ALA 75 HB1 ALA 75 -9.126 4.558 10.150 565 2HB ALA 75 HB2 ALA 75 -8.078 3.313 9.468 566 3HB ALA 75 HB3 ALA 75 -8.220 3.485 11.217 567 H LEU 76 HN LEU 76 -11.665 4.250 11.001 568 HA LEU 76 HA LEU 76 -11.666 3.534 13.793 569 1HB LEU 76 HB2 LEU 76 -13.084 5.620 12.173 570 2HB LEU 76 HB1 LEU 76 -13.510 5.324 13.847 571 HG LEU 76 HG LEU 76 -10.799 6.170 12.842 572 1HD1 LEU 76 HD11 LEU 76 -11.748 8.096 14.560 573 2HD1 LEU 76 HD12 LEU 76 -13.172 7.646 13.624 574 3HD1 LEU 76 HD13 LEU 76 -11.715 8.197 12.800 575 1HD2 LEU 76 HD21 LEU 76 -11.557 4.886 15.258 576 2HD2 LEU 76 HD22 LEU 76 -11.144 6.557 15.637 577 3HD2 LEU 76 HD23 LEU 76 -9.979 5.529 14.804 578 H GLU 77 HN GLU 77 -13.745 3.040 11.000 579 HA GLU 77 HA GLU 77 -16.086 2.250 12.314 580 1HB GLU 77 HB2 GLU 77 -15.293 2.448 9.687 581 2HB GLU 77 HB1 GLU 77 -15.485 0.717 9.885 582 1HG GLU 77 HG2 GLU 77 -17.537 1.581 9.084 583 2HG GLU 77 HG1 GLU 77 -17.773 1.152 10.777 584 H VAL 78 HN VAL 78 -13.477 0.210 11.016 585 HA VAL 78 HA VAL 78 -14.483 -2.039 12.572 586 HB VAL 78 HB VAL 78 -13.863 -2.346 10.181 587 1HG1 VAL 78 HG11 VAL 78 -11.581 -2.414 9.484 588 2HG1 VAL 78 HG12 VAL 78 -11.012 -2.127 11.128 589 3HG1 VAL 78 HG13 VAL 78 -11.864 -0.856 10.255 590 1HG2 VAL 78 HG21 VAL 78 -12.340 -4.397 10.699 591 2HG2 VAL 78 HG22 VAL 78 -13.998 -4.352 11.293 592 3HG2 VAL 78 HG23 VAL 78 -12.661 -3.965 12.379 593 H LEU 79 HN LEU 79 -11.428 -0.225 12.178 594 HA LEU 79 HA LEU 79 -9.697 0.136 13.615 595 1HB LEU 79 HB2 LEU 79 -11.999 0.008 15.232 596 2HB LEU 79 HB1 LEU 79 -10.786 -0.954 16.052 597 HG LEU 79 HG LEU 79 -9.706 1.590 15.145 598 1HD1 LEU 79 HD11 LEU 79 -12.310 1.571 16.514 599 2HD1 LEU 79 HD12 LEU 79 -11.545 2.824 15.537 600 3HD1 LEU 79 HD13 LEU 79 -11.083 2.621 17.226 601 1HD2 LEU 79 HD21 LEU 79 -8.401 1.140 16.883 602 2HD2 LEU 79 HD22 LEU 79 -9.389 -0.272 17.254 603 3HD2 LEU 79 HD23 LEU 79 -9.776 1.287 17.979 604 H ASN 80 HN ASN 80 -8.765 -1.277 15.810 605 HA ASN 80 HA ASN 80 -7.511 -3.485 14.572 606 1HB ASN 80 HB2 ASN 80 -6.377 -2.240 16.318 607 2HB ASN 80 HB1 ASN 80 -7.629 -2.660 17.483 608 1HD2 ASN 80 HD21 ASN 80 -7.494 -4.542 18.562 609 2HD2 ASN 80 HD22 ASN 80 -6.242 -5.709 18.341 610 H ARG 81 HN ARG 81 -10.634 -3.300 15.644 611 HA ARG 81 HA ARG 81 -10.908 -5.795 16.978 612 1HB ARG 81 HB2 ARG 81 -12.861 -3.958 15.601 613 2HB ARG 81 HB1 ARG 81 -13.364 -5.480 16.321 614 1HG ARG 81 HG2 ARG 81 -11.934 -4.300 18.344 615 2HG ARG 81 HG1 ARG 81 -12.740 -2.930 17.577 616 1HD ARG 81 HD2 ARG 81 -14.867 -4.318 17.697 617 2HD ARG 81 HD1 ARG 81 -13.979 -5.398 18.766 618 HE ARG 81 HE ARG 81 -13.879 -3.680 20.384 619 1HH1 ARG 81 HH11 ARG 81 -15.744 -2.758 17.569 620 2HH1 ARG 81 HH12 ARG 81 -16.570 -1.478 18.391 621 1HH2 ARG 81 HH21 ARG 81 -14.965 -1.999 21.451 622 2HH2 ARG 81 HH22 ARG 81 -16.129 -1.047 20.592 623 H HIS 82 HN HIS 82 -9.399 -5.909 14.473 624 HA HIS 82 HA HIS 82 -11.017 -7.173 12.496 625 1HB HIS 82 HB2 HIS 82 -8.350 -6.156 12.708 626 2HB HIS 82 HB1 HIS 82 -8.272 -7.820 12.122 627 HD1 HIS 82 HD1 HIS 82 -10.732 -5.040 11.304 628 HD2 HIS 82 HD2 HIS 82 -8.049 -7.596 9.428 629 HE1 HIS 82 HE1 HIS 82 -11.002 -4.605 8.843 630 HE2 HIS 82 HE2 HIS 82 -9.440 -6.234 7.723 631 H MET 83 HN MET 83 -11.963 -9.041 13.087 632 HA MET 83 HA MET 83 -10.273 -11.326 13.594 633 1HB MET 83 HB2 MET 83 -11.304 -9.964 15.800 634 2HB MET 83 HB1 MET 83 -12.388 -11.330 15.588 635 1HG MET 83 HG2 MET 83 -10.914 -12.715 16.468 636 2HG MET 83 HG1 MET 83 -9.674 -12.199 15.326 637 1HE MET 83 HE1 MET 83 -7.179 -10.524 17.432 638 2HE MET 83 HE2 MET 83 -7.813 -10.578 15.786 639 3HE MET 83 HE3 MET 83 -7.494 -12.078 16.658 640 H ASN 84 HN ASN 84 -13.609 -10.107 13.560 641 HA ASN 84 HA ASN 84 -14.605 -12.649 12.573 642 1HB ASN 84 HB2 ASN 84 -16.818 -11.392 12.549 643 2HB ASN 84 HB1 ASN 84 -16.057 -11.599 14.123 644 1HD2 ASN 84 HD21 ASN 84 -17.919 -9.727 13.946 645 2HD2 ASN 84 HD22 ASN 84 -17.229 -8.142 13.948 646 H VAL 85 HN VAL 85 -13.848 -9.459 11.369 647 HA VAL 85 HA VAL 85 -14.768 -10.268 8.690 648 HB VAL 85 HB VAL 85 -15.846 -8.228 9.474 649 1HG1 VAL 85 HG11 VAL 85 -13.127 -6.943 9.574 650 2HG1 VAL 85 HG12 VAL 85 -13.961 -7.563 10.998 651 3HG1 VAL 85 HG13 VAL 85 -14.674 -6.250 10.063 652 1HG2 VAL 85 HG21 VAL 85 -15.373 -6.806 7.584 653 2HG2 VAL 85 HG22 VAL 85 -15.294 -8.492 7.073 654 3HG2 VAL 85 HG23 VAL 85 -13.807 -7.582 7.347 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 17.710 1.259 -32.527 2 2H GLY 1 HT2 GLY 1 18.704 2.378 -31.740 3 3H GLY 1 HT3 GLY 1 19.390 1.183 -32.717 4 1HA GLY 1 HA1 GLY 1 19.134 3.582 -33.619 5 2HA GLY 1 HA2 GLY 1 18.825 2.203 -34.665 6 H SER 2 HN SER 2 17.173 2.683 -35.947 7 HA SER 2 HA SER 2 15.075 3.216 -36.635 8 1HB SER 2 HB2 SER 2 14.572 1.950 -34.357 9 2HB SER 2 HB1 SER 2 14.060 3.559 -33.848 10 HG SER 2 HG SER 2 12.441 2.114 -34.885 11 H SER 3 HN SER 3 13.350 4.991 -36.383 12 HA SER 3 HA SER 3 14.753 7.504 -36.312 13 1HB SER 3 HB2 SER 3 12.319 8.332 -36.852 14 2HB SER 3 HB1 SER 3 13.250 7.466 -38.074 15 HG SER 3 HG SER 3 12.131 5.579 -37.519 16 H LEU 4 HN LEU 4 13.281 5.675 -33.965 17 HA LEU 4 HA LEU 4 12.076 7.858 -32.505 18 1HB LEU 4 HB2 LEU 4 11.624 6.164 -30.790 19 2HB LEU 4 HB1 LEU 4 11.048 5.677 -32.375 20 HG LEU 4 HG LEU 4 13.583 4.590 -32.279 21 1HD1 LEU 4 HD11 LEU 4 14.238 4.321 -30.188 22 2HD1 LEU 4 HD12 LEU 4 12.794 3.359 -29.875 23 3HD1 LEU 4 HD13 LEU 4 12.772 5.100 -29.595 24 1HD2 LEU 4 HD21 LEU 4 11.774 2.631 -31.357 25 2HD2 LEU 4 HD22 LEU 4 12.315 2.921 -33.009 26 3HD2 LEU 4 HD23 LEU 4 10.866 3.720 -32.401 27 H ALA 5 HN ALA 5 13.253 9.235 -31.363 28 HA ALA 5 HA ALA 5 15.985 8.918 -30.816 29 1HB ALA 5 HB1 ALA 5 14.805 10.773 -28.980 30 2HB ALA 5 HB2 ALA 5 14.074 10.963 -30.572 31 3HB ALA 5 HB3 ALA 5 15.823 11.086 -30.384 32 H SER 6 HN SER 6 13.653 9.455 -28.199 33 HA SER 6 HA SER 6 15.085 7.414 -26.636 34 1HB SER 6 HB2 SER 6 13.376 9.271 -25.137 35 2HB SER 6 HB1 SER 6 15.046 8.792 -24.845 36 HG SER 6 HG SER 6 14.263 11.085 -25.725 37 H GLN 7 HN GLN 7 13.970 5.554 -26.724 38 HA GLN 7 HA GLN 7 11.111 5.510 -26.980 39 1HB GLN 7 HB2 GLN 7 12.611 3.784 -27.991 40 2HB GLN 7 HB1 GLN 7 12.956 3.200 -26.373 41 1HG GLN 7 HG2 GLN 7 11.310 1.757 -27.050 42 2HG GLN 7 HG1 GLN 7 10.382 2.974 -26.180 43 1HE2 GLN 7 HE21 GLN 7 9.492 4.749 -27.568 44 2HE2 GLN 7 HE22 GLN 7 8.874 4.301 -29.116 45 H GLY 8 HN GLY 8 9.756 5.804 -25.362 46 1HA GLY 8 HA2 GLY 8 10.624 5.592 -22.623 47 2HA GLY 8 HA1 GLY 8 9.016 6.036 -23.179 48 H GLN 9 HN GLN 9 8.637 3.710 -24.829 49 HA GLN 9 HA GLN 9 7.637 1.925 -22.842 50 1HB GLN 9 HB2 GLN 9 7.862 1.283 -25.773 51 2HB GLN 9 HB1 GLN 9 6.670 0.708 -24.616 52 1HG GLN 9 HG2 GLN 9 6.207 3.352 -24.490 53 2HG GLN 9 HG1 GLN 9 6.759 3.210 -26.158 54 1HE2 GLN 9 HE21 GLN 9 4.460 3.973 -26.410 55 2HE2 GLN 9 HE22 GLN 9 3.246 2.755 -26.565 56 H ASN 10 HN ASN 10 10.637 2.166 -24.497 57 HA ASN 10 HA ASN 10 11.343 -0.578 -24.440 58 1HB ASN 10 HB2 ASN 10 12.477 1.010 -25.932 59 2HB ASN 10 HB1 ASN 10 13.136 1.858 -24.540 60 1HD2 ASN 10 HD21 ASN 10 15.103 1.308 -23.948 61 2HD2 ASN 10 HD22 ASN 10 15.902 -0.179 -24.325 62 H LEU 11 HN LEU 11 13.145 1.894 -22.680 63 HA LEU 11 HA LEU 11 14.145 0.300 -20.695 64 1HB LEU 11 HB2 LEU 11 14.170 2.452 -19.296 65 2HB LEU 11 HB1 LEU 11 15.054 2.436 -20.811 66 HG LEU 11 HG LEU 11 12.317 3.388 -21.140 67 1HD1 LEU 11 HD11 LEU 11 13.621 4.255 -18.790 68 2HD1 LEU 11 HD12 LEU 11 12.133 4.873 -19.507 69 3HD1 LEU 11 HD13 LEU 11 13.687 5.586 -19.944 70 1HD2 LEU 11 HD21 LEU 11 13.506 5.232 -22.277 71 2HD2 LEU 11 HD22 LEU 11 13.990 3.640 -22.861 72 3HD2 LEU 11 HD23 LEU 11 15.037 4.532 -21.757 73 H SER 12 HN SER 12 10.927 1.586 -20.975 74 HA SER 12 HA SER 12 10.082 1.341 -18.311 75 1HB SER 12 HB2 SER 12 8.647 2.531 -19.763 76 2HB SER 12 HB1 SER 12 8.625 1.222 -20.948 77 HG SER 12 HG SER 12 6.838 0.704 -19.966 78 H THR 13 HN THR 13 10.016 -0.968 -21.003 79 HA THR 13 HA THR 13 9.012 -3.070 -19.266 80 HB THR 13 HB THR 13 9.849 -3.325 -22.153 81 HG1 THR 13 HG1 THR 13 7.245 -2.748 -21.212 82 1HG2 THR 13 HG21 THR 13 8.101 -5.071 -22.197 83 2HG2 THR 13 HG22 THR 13 7.944 -4.903 -20.448 84 3HG2 THR 13 HG23 THR 13 9.465 -5.458 -21.148 85 H VAL 14 HN VAL 14 11.939 -1.765 -19.508 86 HA VAL 14 HA VAL 14 13.462 -4.249 -19.712 87 HB VAL 14 HB VAL 14 14.458 -1.425 -19.281 88 1HG1 VAL 14 HG11 VAL 14 15.874 -3.463 -18.519 89 2HG1 VAL 14 HG12 VAL 14 16.632 -2.203 -19.493 90 3HG1 VAL 14 HG13 VAL 14 16.126 -3.715 -20.246 91 1HG2 VAL 14 HG21 VAL 14 13.448 -1.588 -21.443 92 2HG2 VAL 14 HG22 VAL 14 14.272 -3.107 -21.774 93 3HG2 VAL 14 HG23 VAL 14 15.194 -1.610 -21.651 94 H LEU 15 HN LEU 15 12.841 -1.640 -17.382 95 HA LEU 15 HA LEU 15 14.250 -3.042 -15.285 96 1HB LEU 15 HB2 LEU 15 13.679 -0.398 -15.785 97 2HB LEU 15 HB1 LEU 15 12.562 -0.787 -14.492 98 HG LEU 15 HG LEU 15 14.365 -1.421 -13.031 99 1HD1 LEU 15 HD11 LEU 15 15.885 -2.502 -14.499 100 2HD1 LEU 15 HD12 LEU 15 16.736 -1.126 -13.800 101 3HD1 LEU 15 HD13 LEU 15 16.115 -1.034 -15.449 102 1HD2 LEU 15 HD21 LEU 15 15.395 1.083 -14.288 103 2HD2 LEU 15 HD22 LEU 15 15.196 0.682 -12.582 104 3HD2 LEU 15 HD23 LEU 15 13.784 1.062 -13.569 105 H ALA 16 HN ALA 16 11.733 -4.146 -16.560 106 HA ALA 16 HA ALA 16 9.691 -4.057 -14.582 107 1HB ALA 16 HB1 ALA 16 9.589 -4.694 -17.128 108 2HB ALA 16 HB2 ALA 16 8.477 -5.423 -15.972 109 3HB ALA 16 HB3 ALA 16 9.894 -6.319 -16.514 110 H ASN 17 HN ASN 17 11.043 -4.514 -12.706 111 HA ASN 17 HA ASN 17 11.444 -7.410 -12.330 112 1HB ASN 17 HB2 ASN 17 13.246 -5.132 -11.763 113 2HB ASN 17 HB1 ASN 17 13.144 -6.356 -10.501 114 1HD2 ASN 17 HD21 ASN 17 14.132 -8.274 -10.784 115 2HD2 ASN 17 HD22 ASN 17 15.042 -8.704 -12.187 116 H LEU 18 HN LEU 18 11.513 -4.557 -10.213 117 HA LEU 18 HA LEU 18 9.328 -5.758 -8.647 118 1HB LEU 18 HB2 LEU 18 11.898 -4.514 -7.716 119 2HB LEU 18 HB1 LEU 18 10.486 -4.539 -6.681 120 HG LEU 18 HG LEU 18 10.627 -7.157 -7.402 121 1HD1 LEU 18 HD11 LEU 18 12.601 -7.595 -8.331 122 2HD1 LEU 18 HD12 LEU 18 13.316 -7.272 -6.753 123 3HD1 LEU 18 HD13 LEU 18 13.220 -5.989 -7.957 124 1HD2 LEU 18 HD21 LEU 18 10.657 -7.321 -5.187 125 2HD2 LEU 18 HD22 LEU 18 10.985 -5.592 -5.092 126 3HD2 LEU 18 HD23 LEU 18 12.322 -6.741 -5.129 127 H THR 19 HN THR 19 8.068 -4.313 -10.128 128 HA THR 19 HA THR 19 8.288 -1.477 -9.513 129 HB THR 19 HB THR 19 6.503 -2.946 -11.461 130 HG1 THR 19 HG1 THR 19 7.889 -1.934 -12.977 131 1HG2 THR 19 HG21 THR 19 5.513 -1.042 -12.113 132 2HG2 THR 19 HG22 THR 19 6.936 -0.060 -11.770 133 3HG2 THR 19 HG23 THR 19 5.860 -0.538 -10.458 134 HA PRO 20 HA PRO 20 3.805 -2.234 -7.933 135 1HB PRO 20 HB2 PRO 20 2.914 -4.780 -7.699 136 2HB PRO 20 HB1 PRO 20 2.720 -3.837 -9.182 137 1HG PRO 20 HG2 PRO 20 4.785 -5.900 -8.506 138 2HG PRO 20 HG1 PRO 20 3.858 -5.698 -10.005 139 1HD PRO 20 HD2 PRO 20 6.399 -4.831 -9.759 140 2HD PRO 20 HD1 PRO 20 5.204 -3.982 -10.756 141 H GLU 21 HN GLU 21 6.351 -4.485 -7.120 142 HA GLU 21 HA GLU 21 5.485 -4.873 -4.419 143 1HB GLU 21 HB2 GLU 21 8.213 -5.542 -4.762 144 2HB GLU 21 HB1 GLU 21 6.851 -6.603 -4.514 145 1HG GLU 21 HG2 GLU 21 6.449 -6.495 -6.986 146 2HG GLU 21 HG1 GLU 21 8.005 -5.675 -7.120 147 H GLN 22 HN GLN 22 8.086 -3.073 -6.032 148 HA GLN 22 HA GLN 22 9.052 -1.930 -3.592 149 1HB GLN 22 HB2 GLN 22 9.591 -1.395 -6.495 150 2HB GLN 22 HB1 GLN 22 10.267 -0.368 -5.242 151 1HG GLN 22 HG2 GLN 22 10.649 -3.333 -5.249 152 2HG GLN 22 HG1 GLN 22 11.719 -2.248 -6.133 153 1HE2 GLN 22 HE21 GLN 22 13.546 -2.400 -4.989 154 2HE2 GLN 22 HE22 GLN 22 13.697 -2.021 -3.310 155 H GLN 23 HN GLN 23 7.336 -0.562 -6.399 156 HA GLN 23 HA GLN 23 6.939 1.999 -5.514 157 1HB GLN 23 HB2 GLN 23 6.250 1.165 -7.735 158 2HB GLN 23 HB1 GLN 23 4.911 0.305 -6.985 159 1HG GLN 23 HG2 GLN 23 4.174 2.592 -6.111 160 2HG GLN 23 HG1 GLN 23 5.303 3.258 -7.289 161 1HE2 GLN 23 HE21 GLN 23 4.933 1.363 -9.323 162 2HE2 GLN 23 HE22 GLN 23 3.347 1.569 -9.976 163 H LYS 24 HN LYS 24 5.106 -0.887 -4.655 164 HA LYS 24 HA LYS 24 3.097 0.431 -3.152 165 1HB LYS 24 HB2 LYS 24 4.019 -2.369 -3.506 166 2HB LYS 24 HB1 LYS 24 3.072 -2.017 -2.069 167 1HG LYS 24 HG2 LYS 24 2.101 -1.127 -4.746 168 2HG LYS 24 HG1 LYS 24 1.886 -2.803 -4.229 169 1HD LYS 24 HD2 LYS 24 0.212 -2.252 -2.863 170 2HD LYS 24 HD1 LYS 24 1.145 -0.940 -2.141 171 1HE LYS 24 HE2 LYS 24 0.588 0.336 -4.320 172 2HE LYS 24 HE1 LYS 24 -0.668 -0.882 -4.523 173 1HZ LYS 24 HZ1 LYS 24 -1.649 -0.249 -2.466 174 2HZ LYS 24 HZ2 LYS 24 -1.417 1.162 -3.370 175 3HZ LYS 24 HZ3 LYS 24 -0.371 0.792 -2.093 176 H ASN 25 HN ASN 25 6.265 -0.854 -2.332 177 HA ASN 25 HA ASN 25 6.038 -0.858 0.447 178 1HB ASN 25 HB2 ASN 25 8.376 -0.536 -1.413 179 2HB ASN 25 HB1 ASN 25 8.593 -0.447 0.331 180 1HD2 ASN 25 HD21 ASN 25 9.422 -2.414 -1.790 181 2HD2 ASN 25 HD22 ASN 25 8.917 -3.946 -1.176 182 H VAL 26 HN VAL 26 7.380 1.713 -1.641 183 HA VAL 26 HA VAL 26 7.836 3.575 0.375 184 HB VAL 26 HB VAL 26 8.445 3.574 -2.190 185 1HG1 VAL 26 HG11 VAL 26 6.570 3.983 -3.406 186 2HG1 VAL 26 HG12 VAL 26 7.101 5.642 -3.137 187 3HG1 VAL 26 HG13 VAL 26 5.820 4.959 -2.146 188 1HG2 VAL 26 HG21 VAL 26 8.431 6.291 -1.740 189 2HG2 VAL 26 HG22 VAL 26 9.684 5.157 -1.235 190 3HG2 VAL 26 HG23 VAL 26 8.395 5.602 -0.116 191 H LEU 27 HN LEU 27 4.916 2.902 -1.466 192 HA LEU 27 HA LEU 27 3.373 5.101 -0.812 193 1HB LEU 27 HB2 LEU 27 2.526 2.221 -1.106 194 2HB LEU 27 HB1 LEU 27 1.408 3.567 -1.020 195 HG LEU 27 HG LEU 27 3.464 3.109 -3.174 196 1HD1 LEU 27 HD11 LEU 27 0.716 2.262 -2.831 197 2HD1 LEU 27 HD12 LEU 27 1.919 1.757 -4.018 198 3HD1 LEU 27 HD13 LEU 27 0.950 3.202 -4.304 199 1HD2 LEU 27 HD21 LEU 27 1.555 5.031 -3.941 200 2HD2 LEU 27 HD22 LEU 27 3.282 5.257 -3.674 201 3HD2 LEU 27 HD23 LEU 27 2.148 5.503 -2.347 202 H GLY 28 HN GLY 28 3.820 2.104 1.061 203 1HA GLY 28 HA2 GLY 28 2.046 2.720 3.140 204 2HA GLY 28 HA1 GLY 28 3.423 1.636 3.273 205 H GLU 29 HN GLU 29 5.503 3.458 2.797 206 HA GLU 29 HA GLU 29 5.892 4.529 5.360 207 1HB GLU 29 HB2 GLU 29 7.268 5.441 2.827 208 2HB GLU 29 HB1 GLU 29 7.877 5.578 4.471 209 1HG GLU 29 HG2 GLU 29 7.640 2.968 4.440 210 2HG GLU 29 HG1 GLU 29 7.719 3.197 2.695 211 H ARG 30 HN ARG 30 5.184 6.195 2.297 212 HA ARG 30 HA ARG 30 4.829 8.747 3.491 213 1HB ARG 30 HB2 ARG 30 3.632 7.853 0.873 214 2HB ARG 30 HB1 ARG 30 4.082 9.483 1.354 215 1HG ARG 30 HG2 ARG 30 6.435 8.033 1.568 216 2HG ARG 30 HG1 ARG 30 5.668 7.420 0.102 217 1HD ARG 30 HD2 ARG 30 5.430 9.722 -0.718 218 2HD ARG 30 HD1 ARG 30 6.226 10.318 0.738 219 HE ARG 30 HE ARG 30 7.470 9.047 -1.543 220 1HH1 ARG 30 HH11 ARG 30 7.817 9.978 1.805 221 2HH1 ARG 30 HH12 ARG 30 9.547 9.973 1.757 222 1HH2 ARG 30 HH21 ARG 30 9.748 9.039 -1.607 223 2HH2 ARG 30 HH22 ARG 30 10.643 9.439 -0.179 224 H LEU 31 HN LEU 31 2.867 5.978 3.457 225 HA LEU 31 HA LEU 31 0.314 7.253 3.457 226 1HB LEU 31 HB2 LEU 31 1.319 4.631 3.348 227 2HB LEU 31 HB1 LEU 31 0.331 4.705 4.787 228 HG LEU 31 HG LEU 31 -1.155 5.930 2.730 229 1HD1 LEU 31 HD11 LEU 31 0.303 3.471 1.853 230 2HD1 LEU 31 HD12 LEU 31 0.064 4.989 0.988 231 3HD1 LEU 31 HD13 LEU 31 -1.287 3.878 1.209 232 1HD2 LEU 31 HD21 LEU 31 -2.676 4.771 3.872 233 2HD2 LEU 31 HD22 LEU 31 -1.407 3.855 4.673 234 3HD2 LEU 31 HD23 LEU 31 -2.070 3.290 3.144 235 H TYR 32 HN TYR 32 2.093 5.521 5.997 236 HA TYR 32 HA TYR 32 0.524 6.145 8.157 237 1HB TYR 32 HB2 TYR 32 2.539 4.589 8.002 238 2HB TYR 32 HB1 TYR 32 3.545 6.007 8.262 239 HD1 TYR 32 HD1 TYR 32 1.538 3.454 9.800 240 HD2 TYR 32 HD2 TYR 32 3.290 7.281 10.435 241 HE1 TYR 32 HE1 TYR 32 1.322 3.144 12.230 242 HE2 TYR 32 HE2 TYR 32 3.073 6.982 12.866 243 HH TYR 32 HH TYR 32 1.165 4.623 14.266 244 H ASN 33 HN ASN 33 2.952 8.168 6.617 245 HA ASN 33 HA ASN 33 3.099 10.131 8.665 246 1HB ASN 33 HB2 ASN 33 4.913 10.089 7.170 247 2HB ASN 33 HB1 ASN 33 3.865 10.058 5.756 248 1HD2 ASN 33 HD21 ASN 33 2.471 12.057 5.497 249 2HD2 ASN 33 HD22 ASN 33 3.248 13.571 5.805 250 H HIS 34 HN HIS 34 1.078 9.790 5.801 251 HA HIS 34 HA HIS 34 0.005 12.380 5.847 252 1HB HIS 34 HB2 HIS 34 -1.624 11.588 4.336 253 2HB HIS 34 HB1 HIS 34 -0.173 10.677 3.970 254 HD1 HIS 34 HD1 HIS 34 -0.877 8.379 3.341 255 HD2 HIS 34 HD2 HIS 34 -3.151 9.897 6.436 256 HE1 HIS 34 HE1 HIS 34 -2.406 6.509 4.051 257 HE2 HIS 34 HE2 HIS 34 -3.739 7.441 5.945 258 H ILE 35 HN ILE 35 -0.969 9.411 7.398 259 HA ILE 35 HA ILE 35 -3.230 10.716 8.688 260 HB ILE 35 HB ILE 35 -3.762 8.587 7.761 261 1HG1 ILE 35 HG12 ILE 35 -3.522 8.230 10.748 262 2HG1 ILE 35 HG11 ILE 35 -4.771 9.189 9.960 263 1HG2 ILE 35 HG21 ILE 35 -1.679 7.308 9.505 264 2HG2 ILE 35 HG22 ILE 35 -1.417 7.707 7.810 265 3HG2 ILE 35 HG23 ILE 35 -2.663 6.547 8.260 266 1HD1 ILE 35 HD11 ILE 35 -5.903 7.244 10.218 267 2HD1 ILE 35 HD12 ILE 35 -4.449 6.254 10.126 268 3HD1 ILE 35 HD13 ILE 35 -5.157 6.920 8.656 269 H VAL 36 HN VAL 36 -0.113 9.302 9.621 270 HA VAL 36 HA VAL 36 -0.452 8.981 12.314 271 HB VAL 36 HB VAL 36 1.697 8.526 11.194 272 1HG1 VAL 36 HG11 VAL 36 1.725 10.667 9.900 273 2HG1 VAL 36 HG12 VAL 36 3.256 10.239 10.663 274 3HG1 VAL 36 HG13 VAL 36 2.227 11.478 11.380 275 1HG2 VAL 36 HG21 VAL 36 3.156 9.591 13.043 276 2HG2 VAL 36 HG22 VAL 36 1.888 8.456 13.501 277 3HG2 VAL 36 HG23 VAL 36 1.624 10.189 13.676 278 H ALA 37 HN ALA 37 0.280 12.041 10.655 279 HA ALA 37 HA ALA 37 0.186 13.610 13.038 280 1HB ALA 37 HB1 ALA 37 -0.237 14.701 10.277 281 2HB ALA 37 HB2 ALA 37 1.353 14.164 10.820 282 3HB ALA 37 HB3 ALA 37 0.525 15.472 11.668 283 H ILE 38 HN ILE 38 -2.155 12.498 10.729 284 HA ILE 38 HA ILE 38 -4.193 14.355 11.712 285 HB ILE 38 HB ILE 38 -4.719 12.165 9.731 286 1HG1 ILE 38 HG12 ILE 38 -2.722 13.361 8.971 287 2HG1 ILE 38 HG11 ILE 38 -4.100 13.737 7.942 288 1HG2 ILE 38 HG21 ILE 38 -6.049 14.520 9.055 289 2HG2 ILE 38 HG22 ILE 38 -6.165 14.415 10.810 290 3HG2 ILE 38 HG23 ILE 38 -6.743 13.085 9.807 291 1HD1 ILE 38 HD11 ILE 38 -2.470 15.468 9.621 292 2HD1 ILE 38 HD12 ILE 38 -4.205 15.720 9.815 293 3HD1 ILE 38 HD13 ILE 38 -3.469 15.854 8.218 294 H ASN 39 HN ASN 39 -4.136 10.816 11.222 295 HA ASN 39 HA ASN 39 -5.708 10.561 13.701 296 1HB ASN 39 HB2 ASN 39 -6.576 9.892 11.149 297 2HB ASN 39 HB1 ASN 39 -6.064 8.354 11.830 298 1HD2 ASN 39 HD21 ASN 39 -7.879 7.353 12.382 299 2HD2 ASN 39 HD22 ASN 39 -9.127 8.016 13.376 300 HA PRO 40 HA PRO 40 -1.539 8.471 14.188 301 1HB PRO 40 HB2 PRO 40 -2.400 8.946 16.990 302 2HB PRO 40 HB1 PRO 40 -0.827 9.210 16.234 303 1HG PRO 40 HG2 PRO 40 -2.508 11.234 16.828 304 2HG PRO 40 HG1 PRO 40 -1.405 11.284 15.446 305 1HD PRO 40 HD2 PRO 40 -4.339 10.936 15.507 306 2HD PRO 40 HD1 PRO 40 -3.304 11.571 14.217 307 H ALA 41 HN ALA 41 -4.543 8.063 16.035 308 HA ALA 41 HA ALA 41 -3.945 5.316 16.683 309 1HB ALA 41 HB1 ALA 41 -5.970 7.289 17.422 310 2HB ALA 41 HB2 ALA 41 -5.246 5.994 18.373 311 3HB ALA 41 HB3 ALA 41 -6.589 5.644 17.287 312 H ALA 42 HN ALA 42 -3.836 5.582 13.953 313 HA ALA 42 HA ALA 42 -5.808 3.671 13.130 314 1HB ALA 42 HB1 ALA 42 -5.953 6.497 12.205 315 2HB ALA 42 HB2 ALA 42 -7.250 5.379 12.615 316 3HB ALA 42 HB3 ALA 42 -6.379 5.197 11.093 317 H ALA 43 HN ALA 43 -3.225 5.903 12.182 318 HA ALA 43 HA ALA 43 -2.375 5.069 9.776 319 1HB ALA 43 HB1 ALA 43 -0.159 5.672 10.365 320 2HB ALA 43 HB2 ALA 43 -0.436 5.314 12.069 321 3HB ALA 43 HB3 ALA 43 -1.227 6.701 11.317 322 H ALA 44 HN ALA 44 -1.520 3.404 12.815 323 HA ALA 44 HA ALA 44 -0.032 1.334 11.829 324 1HB ALA 44 HB1 ALA 44 -0.113 0.542 13.916 325 2HB ALA 44 HB2 ALA 44 -1.875 0.467 13.917 326 3HB ALA 44 HB3 ALA 44 -1.057 1.987 14.275 327 H LYS 45 HN LYS 45 -3.542 1.577 11.977 328 HA LYS 45 HA LYS 45 -3.890 -1.057 10.826 329 1HB LYS 45 HB2 LYS 45 -5.962 1.056 11.432 330 2HB LYS 45 HB1 LYS 45 -6.278 -0.626 11.031 331 1HG LYS 45 HG2 LYS 45 -4.514 -0.125 13.348 332 2HG LYS 45 HG1 LYS 45 -6.220 0.283 13.535 333 1HD LYS 45 HD2 LYS 45 -6.652 -1.864 13.919 334 2HD LYS 45 HD1 LYS 45 -6.134 -2.235 12.275 335 1HE LYS 45 HE2 LYS 45 -4.871 -3.609 13.764 336 2HE LYS 45 HE1 LYS 45 -3.791 -2.371 13.125 337 1HZ LYS 45 HZ1 LYS 45 -3.832 -1.205 15.141 338 2HZ LYS 45 HZ2 LYS 45 -3.665 -2.826 15.591 339 3HZ LYS 45 HZ3 LYS 45 -5.168 -2.065 15.727 340 H VAL 46 HN VAL 46 -4.462 2.311 9.873 341 HA VAL 46 HA VAL 46 -5.519 1.793 7.332 342 HB VAL 46 HB VAL 46 -3.818 4.174 8.060 343 1HG1 VAL 46 HG11 VAL 46 -4.525 3.704 5.642 344 2HG1 VAL 46 HG12 VAL 46 -4.878 5.298 6.311 345 3HG1 VAL 46 HG13 VAL 46 -6.155 4.089 6.192 346 1HG2 VAL 46 HG21 VAL 46 -5.437 4.072 9.757 347 2HG2 VAL 46 HG22 VAL 46 -6.696 3.563 8.637 348 3HG2 VAL 46 HG23 VAL 46 -6.078 5.209 8.576 349 H THR 47 HN THR 47 -2.177 2.663 8.220 350 HA THR 47 HA THR 47 -1.072 2.392 5.672 351 HB THR 47 HB THR 47 0.485 1.789 8.162 352 HG1 THR 47 HG1 THR 47 -0.843 4.144 7.511 353 1HG2 THR 47 HG21 THR 47 1.394 3.719 6.129 354 2HG2 THR 47 HG22 THR 47 1.363 2.020 5.661 355 3HG2 THR 47 HG23 THR 47 2.306 2.530 7.062 356 H GLY 48 HN GLY 48 -1.070 0.033 8.346 357 1HA GLY 48 HA2 GLY 48 0.239 -1.984 6.852 358 2HA GLY 48 HA1 GLY 48 -0.633 -2.223 8.358 359 H MET 49 HN MET 49 -3.158 -1.701 7.847 360 HA MET 49 HA MET 49 -3.986 -3.934 6.306 361 1HB MET 49 HB2 MET 49 -5.743 -1.668 7.247 362 2HB MET 49 HB1 MET 49 -6.234 -3.310 6.861 363 1HG MET 49 HG2 MET 49 -4.540 -2.430 9.183 364 2HG MET 49 HG1 MET 49 -6.197 -3.025 9.241 365 1HE MET 49 HE1 MET 49 -3.371 -3.685 10.606 366 2HE MET 49 HE2 MET 49 -2.343 -4.261 9.295 367 3HE MET 49 HE3 MET 49 -2.956 -5.397 10.496 368 H LEU 50 HN LEU 50 -4.253 -0.427 5.811 369 HA LEU 50 HA LEU 50 -5.220 0.670 3.971 370 1HB LEU 50 HB2 LEU 50 -2.845 1.046 3.966 371 2HB LEU 50 HB1 LEU 50 -2.566 -0.444 3.091 372 HG LEU 50 HG LEU 50 -3.839 0.527 1.166 373 1HD1 LEU 50 HD11 LEU 50 -4.376 2.584 3.088 374 2HD1 LEU 50 HD12 LEU 50 -5.045 2.366 1.471 375 3HD1 LEU 50 HD13 LEU 50 -3.548 3.271 1.692 376 1HD2 LEU 50 HD21 LEU 50 -1.498 0.525 0.980 377 2HD2 LEU 50 HD22 LEU 50 -1.318 1.823 2.160 378 3HD2 LEU 50 HD23 LEU 50 -1.995 2.165 0.569 379 H LEU 51 HN LEU 51 -3.662 -2.183 2.448 380 HA LEU 51 HA LEU 51 -5.434 -2.176 0.260 381 1HB LEU 51 HB2 LEU 51 -3.546 -4.237 1.365 382 2HB LEU 51 HB1 LEU 51 -4.503 -4.524 -0.076 383 HG LEU 51 HG LEU 51 -3.029 -2.013 -0.214 384 1HD1 LEU 51 HD11 LEU 51 -1.622 -3.988 1.085 385 2HD1 LEU 51 HD12 LEU 51 -0.927 -2.628 0.205 386 3HD1 LEU 51 HD13 LEU 51 -1.132 -4.186 -0.598 387 1HD2 LEU 51 HD21 LEU 51 -3.693 -2.601 -2.281 388 2HD2 LEU 51 HD22 LEU 51 -3.731 -4.322 -1.894 389 3HD2 LEU 51 HD23 LEU 51 -2.200 -3.540 -2.286 390 H GLU 52 HN GLU 52 -7.448 -1.986 1.559 391 HA GLU 52 HA GLU 52 -8.358 -4.530 2.674 392 1HB GLU 52 HB2 GLU 52 -9.523 -1.746 2.804 393 2HB GLU 52 HB1 GLU 52 -10.297 -3.169 3.490 394 1HG GLU 52 HG2 GLU 52 -7.516 -2.385 4.278 395 2HG GLU 52 HG1 GLU 52 -8.930 -1.647 5.031 396 H MET 53 HN MET 53 -10.735 -4.999 2.240 397 HA MET 53 HA MET 53 -11.110 -5.643 -0.422 398 1HB MET 53 HB2 MET 53 -13.653 -5.247 0.937 399 2HB MET 53 HB1 MET 53 -12.922 -6.726 0.337 400 1HG MET 53 HG2 MET 53 -13.175 -7.092 2.604 401 2HG MET 53 HG1 MET 53 -11.486 -6.655 2.450 402 1HE MET 53 HE1 MET 53 -14.913 -4.003 3.599 403 2HE MET 53 HE2 MET 53 -14.773 -5.303 4.781 404 3HE MET 53 HE3 MET 53 -14.954 -5.687 3.069 405 H ASP 54 HN ASP 54 -12.907 -3.109 1.348 406 HA ASP 54 HA ASP 54 -13.642 -1.889 -1.201 407 1HB ASP 54 HB2 ASP 54 -15.462 -2.148 0.321 408 2HB ASP 54 HB1 ASP 54 -14.555 -1.423 1.641 409 H ASN 55 HN ASN 55 -12.726 -0.460 1.933 410 HA ASN 55 HA ASN 55 -11.856 1.971 1.104 411 1HB ASN 55 HB2 ASN 55 -11.923 1.394 3.454 412 2HB ASN 55 HB1 ASN 55 -10.630 0.216 3.241 413 1HD2 ASN 55 HD21 ASN 55 -9.011 1.010 4.407 414 2HD2 ASN 55 HD22 ASN 55 -8.336 2.589 4.233 415 H GLY 56 HN GLY 56 -10.236 -1.085 0.700 416 1HA GLY 56 HA2 GLY 56 -7.679 -0.068 0.026 417 2HA GLY 56 HA1 GLY 56 -8.278 -1.674 -0.341 418 H GLU 57 HN GLU 57 -10.196 -1.486 -2.131 419 HA GLU 57 HA GLU 57 -9.155 -1.183 -4.559 420 1HB GLU 57 HB2 GLU 57 -11.876 -0.034 -3.945 421 2HB GLU 57 HB1 GLU 57 -11.303 -0.649 -5.489 422 1HG GLU 57 HG2 GLU 57 -11.709 -2.278 -3.000 423 2HG GLU 57 HG1 GLU 57 -12.798 -2.223 -4.381 424 H ILE 58 HN ILE 58 -10.692 1.602 -2.943 425 HA ILE 58 HA ILE 58 -10.081 3.516 -4.871 426 HB ILE 58 HB ILE 58 -10.303 3.919 -1.887 427 1HG1 ILE 58 HG12 ILE 58 -12.597 4.710 -3.468 428 2HG1 ILE 58 HG11 ILE 58 -12.223 3.007 -3.714 429 1HG2 ILE 58 HG21 ILE 58 -11.104 6.040 -3.781 430 2HG2 ILE 58 HG22 ILE 58 -9.373 5.757 -3.607 431 3HG2 ILE 58 HG23 ILE 58 -10.345 6.162 -2.193 432 1HD1 ILE 58 HD11 ILE 58 -13.631 2.875 -1.933 433 2HD1 ILE 58 HD12 ILE 58 -13.110 4.421 -1.262 434 3HD1 ILE 58 HD13 ILE 58 -12.084 2.996 -1.096 435 H LEU 59 HN LEU 59 -8.234 2.455 -2.052 436 HA LEU 59 HA LEU 59 -6.182 4.138 -1.823 437 1HB LEU 59 HB2 LEU 59 -4.995 2.453 -0.842 438 2HB LEU 59 HB1 LEU 59 -6.604 1.769 -0.819 439 HG LEU 59 HG LEU 59 -5.861 0.679 -3.096 440 1HD1 LEU 59 HD11 LEU 59 -3.188 0.515 -1.871 441 2HD1 LEU 59 HD12 LEU 59 -3.581 2.056 -2.627 442 3HD1 LEU 59 HD13 LEU 59 -3.658 0.570 -3.570 443 1HD2 LEU 59 HD21 LEU 59 -5.773 -0.117 -0.339 444 2HD2 LEU 59 HD22 LEU 59 -4.488 -0.921 -1.239 445 3HD2 LEU 59 HD23 LEU 59 -6.164 -1.073 -1.767 446 H ASN 60 HN ASN 60 -6.623 1.917 -4.506 447 HA ASN 60 HA ASN 60 -4.167 1.967 -5.721 448 1HB ASN 60 HB2 ASN 60 -6.525 0.929 -6.419 449 2HB ASN 60 HB1 ASN 60 -6.520 2.314 -7.507 450 1HD2 ASN 60 HD21 ASN 60 -5.454 2.139 -9.356 451 2HD2 ASN 60 HD22 ASN 60 -4.338 0.884 -9.758 452 H LEU 61 HN LEU 61 -6.417 4.584 -5.411 453 HA LEU 61 HA LEU 61 -4.721 6.239 -7.160 454 1HB LEU 61 HB2 LEU 61 -7.540 6.947 -6.427 455 2HB LEU 61 HB1 LEU 61 -6.581 7.516 -7.780 456 HG LEU 61 HG LEU 61 -6.991 4.646 -7.917 457 1HD1 LEU 61 HD11 LEU 61 -9.521 6.181 -8.286 458 2HD1 LEU 61 HD12 LEU 61 -9.090 5.587 -6.683 459 3HD1 LEU 61 HD13 LEU 61 -9.278 4.455 -8.022 460 1HD2 LEU 61 HD21 LEU 61 -8.255 6.195 -9.983 461 2HD2 LEU 61 HD22 LEU 61 -6.844 5.141 -10.074 462 3HD2 LEU 61 HD23 LEU 61 -6.652 6.837 -9.626 463 H LEU 62 HN LEU 62 -3.770 5.931 -4.669 464 HA LEU 62 HA LEU 62 -4.420 7.190 -2.465 465 1HB LEU 62 HB2 LEU 62 -1.829 7.441 -3.954 466 2HB LEU 62 HB1 LEU 62 -2.033 8.121 -2.351 467 HG LEU 62 HG LEU 62 -2.766 5.279 -2.688 468 1HD1 LEU 62 HD11 LEU 62 -0.662 5.612 -4.027 469 2HD1 LEU 62 HD12 LEU 62 -0.559 4.447 -2.704 470 3HD1 LEU 62 HD13 LEU 62 0.127 6.062 -2.514 471 1HD2 LEU 62 HD21 LEU 62 -1.156 6.724 -0.591 472 2HD2 LEU 62 HD22 LEU 62 -1.831 5.099 -0.477 473 3HD2 LEU 62 HD23 LEU 62 -2.905 6.498 -0.534 474 H ASP 63 HN ASP 63 -5.997 8.783 -2.779 475 HA ASP 63 HA ASP 63 -5.082 11.342 -3.897 476 1HB ASP 63 HB2 ASP 63 -7.423 9.944 -4.310 477 2HB ASP 63 HB1 ASP 63 -7.905 11.166 -3.136 478 H THR 64 HN THR 64 -6.020 13.323 -2.793 479 HA THR 64 HA THR 64 -5.174 13.285 -0.062 480 HB THR 64 HB THR 64 -6.652 15.661 -0.953 481 HG1 THR 64 HG1 THR 64 -4.739 16.148 -2.370 482 1HG2 THR 64 HG21 THR 64 -3.815 15.962 -0.508 483 2HG2 THR 64 HG22 THR 64 -4.607 15.115 0.821 484 3HG2 THR 64 HG23 THR 64 -5.179 16.707 0.324 485 HA PRO 65 HA PRO 65 -9.786 14.048 0.894 486 1HB PRO 65 HB2 PRO 65 -11.619 13.768 -1.094 487 2HB PRO 65 HB1 PRO 65 -10.825 15.297 -0.712 488 1HG PRO 65 HG2 PRO 65 -10.331 13.417 -2.950 489 2HG PRO 65 HG1 PRO 65 -10.153 15.176 -2.895 490 1HD PRO 65 HD2 PRO 65 -8.078 13.322 -2.726 491 2HD PRO 65 HD1 PRO 65 -7.981 15.029 -2.257 492 H GLY 66 HN GLY 66 -10.198 11.848 -1.886 493 1HA GLY 66 HA2 GLY 66 -11.792 9.962 -0.744 494 2HA GLY 66 HA1 GLY 66 -10.602 9.585 -1.978 495 H LEU 67 HN LEU 67 -8.234 9.633 -0.897 496 HA LEU 67 HA LEU 67 -8.073 7.332 0.677 497 1HB LEU 67 HB2 LEU 67 -6.330 9.139 -0.598 498 2HB LEU 67 HB1 LEU 67 -5.781 9.019 1.061 499 HG LEU 67 HG LEU 67 -4.737 7.449 -0.631 500 1HD1 LEU 67 HD11 LEU 67 -5.671 6.934 2.060 501 2HD1 LEU 67 HD12 LEU 67 -4.106 6.603 1.323 502 3HD1 LEU 67 HD13 LEU 67 -5.429 5.452 1.141 503 1HD2 LEU 67 HD21 LEU 67 -6.734 5.412 -0.369 504 2HD2 LEU 67 HD22 LEU 67 -5.993 6.068 -1.826 505 3HD2 LEU 67 HD23 LEU 67 -7.427 6.833 -1.147 506 H LEU 68 HN LEU 68 -6.991 10.560 1.768 507 HA LEU 68 HA LEU 68 -6.780 10.051 4.438 508 1HB LEU 68 HB2 LEU 68 -7.239 12.455 2.846 509 2HB LEU 68 HB1 LEU 68 -7.794 12.597 4.495 510 HG LEU 68 HG LEU 68 -5.463 11.790 5.176 511 1HD1 LEU 68 HD11 LEU 68 -3.693 11.997 3.626 512 2HD1 LEU 68 HD12 LEU 68 -4.744 12.718 2.407 513 3HD1 LEU 68 HD13 LEU 68 -4.925 11.016 2.834 514 1HD2 LEU 68 HD21 LEU 68 -5.989 14.454 3.885 515 2HD2 LEU 68 HD22 LEU 68 -4.502 14.096 4.763 516 3HD2 LEU 68 HD23 LEU 68 -6.056 14.035 5.597 517 H ASP 69 HN ASP 69 -9.730 10.527 2.642 518 HA ASP 69 HA ASP 69 -11.379 10.798 4.980 519 1HB ASP 69 HB2 ASP 69 -12.021 11.756 2.774 520 2HB ASP 69 HB1 ASP 69 -12.191 10.121 2.143 521 H ALA 70 HN ALA 70 -11.058 8.279 2.490 522 HA ALA 70 HA ALA 70 -12.533 6.343 3.927 523 1HB ALA 70 HB1 ALA 70 -11.623 6.581 1.369 524 2HB ALA 70 HB2 ALA 70 -12.356 5.134 2.058 525 3HB ALA 70 HB3 ALA 70 -10.601 5.294 2.003 526 H LYS 71 HN LYS 71 -9.509 7.565 4.623 527 HA LYS 71 HA LYS 71 -8.292 5.091 5.491 528 1HB LYS 71 HB2 LYS 71 -7.492 7.983 5.725 529 2HB LYS 71 HB1 LYS 71 -6.582 6.697 6.501 530 1HG LYS 71 HG2 LYS 71 -6.814 7.377 3.620 531 2HG LYS 71 HG1 LYS 71 -5.394 6.985 4.571 532 1HD LYS 71 HD2 LYS 71 -5.509 5.009 3.516 533 2HD LYS 71 HD1 LYS 71 -6.772 4.647 4.683 534 1HE LYS 71 HE2 LYS 71 -8.486 5.158 3.153 535 2HE LYS 71 HE1 LYS 71 -7.368 5.950 2.046 536 1HZ LYS 71 HZ1 LYS 71 -7.069 4.029 1.016 537 2HZ LYS 71 HZ2 LYS 71 -8.166 3.281 2.059 538 3HZ LYS 71 HZ3 LYS 71 -6.522 3.306 2.443 539 H VAL 72 HN VAL 72 -9.382 8.075 7.099 540 HA VAL 72 HA VAL 72 -9.108 7.090 9.730 541 HB VAL 72 HB VAL 72 -10.745 8.984 10.297 542 1HG1 VAL 72 HG11 VAL 72 -8.192 9.009 10.307 543 2HG1 VAL 72 HG12 VAL 72 -9.020 10.566 10.248 544 3HG1 VAL 72 HG13 VAL 72 -8.318 9.886 8.781 545 1HG2 VAL 72 HG21 VAL 72 -10.309 10.498 7.943 546 2HG2 VAL 72 HG22 VAL 72 -11.843 9.979 8.640 547 3HG2 VAL 72 HG23 VAL 72 -11.024 8.962 7.459 548 H GLN 73 HN GLN 73 -11.931 7.274 7.575 549 HA GLN 73 HA GLN 73 -13.841 6.363 9.389 550 1HB GLN 73 HB2 GLN 73 -13.790 5.831 6.415 551 2HB GLN 73 HB1 GLN 73 -15.208 5.872 7.456 552 1HG GLN 73 HG2 GLN 73 -13.422 8.219 6.861 553 2HG GLN 73 HG1 GLN 73 -14.974 7.894 6.089 554 1HE2 GLN 73 HE21 GLN 73 -13.937 10.103 7.841 555 2HE2 GLN 73 HE22 GLN 73 -15.115 10.249 9.096 556 H GLU 74 HN GLU 74 -12.035 4.514 6.938 557 HA GLU 74 HA GLU 74 -13.004 1.995 7.681 558 1HB GLU 74 HB2 GLU 74 -11.938 2.297 5.550 559 2HB GLU 74 HB1 GLU 74 -10.443 2.817 6.310 560 1HG GLU 74 HG2 GLU 74 -11.401 0.132 7.053 561 2HG GLU 74 HG1 GLU 74 -10.864 0.336 5.387 562 H ALA 75 HN ALA 75 -10.290 3.890 8.893 563 HA ALA 75 HA ALA 75 -9.162 1.769 10.440 564 1HB ALA 75 HB1 ALA 75 -8.232 4.028 11.630 565 2HB ALA 75 HB2 ALA 75 -8.612 4.609 10.011 566 3HB ALA 75 HB3 ALA 75 -7.509 3.251 10.225 567 H LEU 76 HN LEU 76 -10.991 4.693 11.339 568 HA LEU 76 HA LEU 76 -11.214 4.007 14.059 569 1HB LEU 76 HB2 LEU 76 -12.742 5.874 12.274 570 2HB LEU 76 HB1 LEU 76 -13.185 5.656 13.953 571 HG LEU 76 HG LEU 76 -10.566 6.718 12.911 572 1HD1 LEU 76 HD11 LEU 76 -12.269 8.239 14.781 573 2HD1 LEU 76 HD12 LEU 76 -12.863 8.069 13.131 574 3HD1 LEU 76 HD13 LEU 76 -11.285 8.797 13.429 575 1HD2 LEU 76 HD21 LEU 76 -10.911 7.055 15.732 576 2HD2 LEU 76 HD22 LEU 76 -9.606 6.252 14.860 577 3HD2 LEU 76 HD23 LEU 76 -11.044 5.346 15.327 578 H GLU 77 HN GLU 77 -12.994 3.075 11.236 579 HA GLU 77 HA GLU 77 -15.274 2.064 12.658 580 1HB GLU 77 HB2 GLU 77 -15.380 2.846 10.296 581 2HB GLU 77 HB1 GLU 77 -14.375 1.477 9.830 582 1HG GLU 77 HG2 GLU 77 -16.176 0.218 9.628 583 2HG GLU 77 HG1 GLU 77 -16.559 0.478 11.329 584 H VAL 78 HN VAL 78 -12.414 0.628 11.085 585 HA VAL 78 HA VAL 78 -13.071 -2.048 11.740 586 HB VAL 78 HB VAL 78 -11.469 -1.340 9.942 587 1HG1 VAL 78 HG11 VAL 78 -9.115 -0.984 10.602 588 2HG1 VAL 78 HG12 VAL 78 -9.628 -0.901 12.288 589 3HG1 VAL 78 HG13 VAL 78 -10.186 0.309 11.136 590 1HG2 VAL 78 HG21 VAL 78 -11.007 -3.510 9.993 591 2HG2 VAL 78 HG22 VAL 78 -11.321 -3.577 11.727 592 3HG2 VAL 78 HG23 VAL 78 -9.707 -3.175 11.139 593 H LEU 79 HN LEU 79 -11.949 0.518 13.642 594 HA LEU 79 HA LEU 79 -10.290 -0.820 15.481 595 1HB LEU 79 HB2 LEU 79 -11.379 1.772 15.154 596 2HB LEU 79 HB1 LEU 79 -11.804 1.243 16.772 597 HG LEU 79 HG LEU 79 -8.984 1.167 15.713 598 1HD1 LEU 79 HD11 LEU 79 -10.513 3.456 16.323 599 2HD1 LEU 79 HD12 LEU 79 -8.777 3.352 16.022 600 3HD1 LEU 79 HD13 LEU 79 -9.397 3.209 17.667 601 1HD2 LEU 79 HD21 LEU 79 -8.755 -0.097 17.549 602 2HD2 LEU 79 HD22 LEU 79 -10.315 0.400 18.203 603 3HD2 LEU 79 HD23 LEU 79 -8.897 1.424 18.432 604 H ASN 80 HN ASN 80 -13.623 0.308 16.109 605 HA ASN 80 HA ASN 80 -13.941 -1.598 18.232 606 1HB ASN 80 HB2 ASN 80 -14.982 0.658 18.274 607 2HB ASN 80 HB1 ASN 80 -16.019 0.178 16.933 608 1HD2 ASN 80 HD21 ASN 80 -17.745 0.737 18.435 609 2HD2 ASN 80 HD22 ASN 80 -18.275 -0.447 19.575 610 H ARG 81 HN ARG 81 -13.765 -2.275 15.140 611 HA ARG 81 HA ARG 81 -16.186 -3.708 14.648 612 1HB ARG 81 HB2 ARG 81 -13.588 -3.320 13.281 613 2HB ARG 81 HB1 ARG 81 -14.429 -4.821 12.918 614 1HG ARG 81 HG2 ARG 81 -15.878 -2.214 12.766 615 2HG ARG 81 HG1 ARG 81 -14.836 -2.739 11.443 616 1HD ARG 81 HD2 ARG 81 -16.858 -4.633 12.545 617 2HD ARG 81 HD1 ARG 81 -17.389 -3.342 11.467 618 HE ARG 81 HE ARG 81 -15.972 -5.708 10.740 619 1HH1 ARG 81 HH11 ARG 81 -16.398 -2.346 9.907 620 2HH1 ARG 81 HH12 ARG 81 -15.989 -2.579 8.241 621 1HH2 ARG 81 HH21 ARG 81 -15.440 -6.017 8.550 622 2HH2 ARG 81 HH22 ARG 81 -15.446 -4.664 7.470 623 H HIS 82 HN HIS 82 -14.424 -4.271 17.097 624 HA HIS 82 HA HIS 82 -13.460 -6.932 16.796 625 1HB HIS 82 HB2 HIS 82 -13.338 -4.858 18.742 626 2HB HIS 82 HB1 HIS 82 -13.983 -6.293 19.537 627 HD1 HIS 82 HD1 HIS 82 -12.066 -7.266 20.769 628 HD2 HIS 82 HD2 HIS 82 -11.019 -6.122 16.913 629 HE1 HIS 82 HE1 HIS 82 -9.691 -8.036 20.460 630 HE2 HIS 82 HE2 HIS 82 -9.059 -7.280 18.142 631 H MET 83 HN MET 83 -15.417 -7.865 15.850 632 HA MET 83 HA MET 83 -17.645 -8.253 17.698 633 1HB MET 83 HB2 MET 83 -17.378 -9.173 14.833 634 2HB MET 83 HB1 MET 83 -18.845 -9.175 15.804 635 1HG MET 83 HG2 MET 83 -19.084 -6.880 15.685 636 2HG MET 83 HG1 MET 83 -17.383 -6.620 15.301 637 1HE MET 83 HE1 MET 83 -16.943 -8.601 12.458 638 2HE MET 83 HE2 MET 83 -16.265 -7.229 13.334 639 3HE MET 83 HE3 MET 83 -16.941 -6.999 11.723 640 H ASN 84 HN ASN 84 -15.991 -10.439 15.414 641 HA ASN 84 HA ASN 84 -16.395 -12.630 17.293 642 1HB ASN 84 HB2 ASN 84 -16.065 -12.380 14.398 643 2HB ASN 84 HB1 ASN 84 -15.115 -13.695 15.085 644 1HD2 ASN 84 HD21 ASN 84 -16.719 -14.538 17.126 645 2HD2 ASN 84 HD22 ASN 84 -18.187 -15.185 16.484 646 H VAL 85 HN VAL 85 -13.701 -11.441 15.277 647 HA VAL 85 HA VAL 85 -11.864 -12.276 17.429 648 HB VAL 85 HB VAL 85 -10.134 -12.591 15.624 649 1HG1 VAL 85 HG11 VAL 85 -10.797 -14.616 16.416 650 2HG1 VAL 85 HG12 VAL 85 -11.402 -14.762 14.765 651 3HG1 VAL 85 HG13 VAL 85 -12.501 -14.317 16.070 652 1HG2 VAL 85 HG21 VAL 85 -12.456 -11.869 13.968 653 2HG2 VAL 85 HG22 VAL 85 -11.517 -13.246 13.397 654 3HG2 VAL 85 HG23 VAL 85 -10.732 -11.686 13.650 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 18.586 -25.277 -16.294 2 2H GLY 1 HT2 GLY 1 19.390 -26.356 -17.318 3 3H GLY 1 HT3 GLY 1 17.949 -25.631 -17.822 4 1HA GLY 1 HA1 GLY 1 18.917 -23.689 -18.377 5 2HA GLY 1 HA2 GLY 1 20.083 -23.811 -17.068 6 H SER 2 HN SER 2 20.864 -22.960 -19.556 7 HA SER 2 HA SER 2 22.551 -25.204 -20.430 8 1HB SER 2 HB2 SER 2 20.528 -24.109 -21.973 9 2HB SER 2 HB1 SER 2 21.970 -23.279 -22.555 10 HG SER 2 HG SER 2 21.792 -26.092 -22.260 11 H SER 3 HN SER 3 24.642 -24.661 -21.118 12 HA SER 3 HA SER 3 25.589 -22.109 -20.063 13 1HB SER 3 HB2 SER 3 26.680 -24.780 -20.276 14 2HB SER 3 HB1 SER 3 27.791 -23.597 -20.968 15 HG SER 3 HG SER 3 28.315 -23.246 -18.967 16 H LEU 4 HN LEU 4 24.155 -22.381 -22.672 17 HA LEU 4 HA LEU 4 26.218 -21.785 -24.627 18 1HB LEU 4 HB2 LEU 4 24.367 -21.649 -26.230 19 2HB LEU 4 HB1 LEU 4 24.368 -23.161 -25.343 20 HG LEU 4 HG LEU 4 22.684 -21.586 -23.834 21 1HD1 LEU 4 HD11 LEU 4 22.028 -19.866 -25.091 22 2HD1 LEU 4 HD12 LEU 4 21.151 -21.049 -26.057 23 3HD1 LEU 4 HD13 LEU 4 22.766 -20.534 -26.547 24 1HD2 LEU 4 HD21 LEU 4 22.456 -23.974 -24.576 25 2HD2 LEU 4 HD22 LEU 4 21.815 -23.366 -26.103 26 3HD2 LEU 4 HD23 LEU 4 20.961 -23.039 -24.594 27 H ALA 5 HN ALA 5 25.394 -19.875 -26.200 28 HA ALA 5 HA ALA 5 26.013 -17.498 -24.921 29 1HB ALA 5 HB1 ALA 5 25.149 -18.303 -27.567 30 2HB ALA 5 HB2 ALA 5 26.289 -17.050 -27.082 31 3HB ALA 5 HB3 ALA 5 24.561 -16.699 -27.130 32 H SER 6 HN SER 6 24.913 -15.947 -23.881 33 HA SER 6 HA SER 6 22.254 -16.475 -22.985 34 1HB SER 6 HB2 SER 6 24.243 -15.165 -21.835 35 2HB SER 6 HB1 SER 6 23.513 -13.783 -22.653 36 HG SER 6 HG SER 6 22.278 -15.533 -20.795 37 H GLN 7 HN GLN 7 20.822 -14.256 -22.946 38 HA GLN 7 HA GLN 7 20.166 -13.845 -25.759 39 1HB GLN 7 HB2 GLN 7 18.631 -14.211 -23.455 40 2HB GLN 7 HB1 GLN 7 18.401 -12.520 -23.875 41 1HG GLN 7 HG2 GLN 7 17.204 -13.004 -25.705 42 2HG GLN 7 HG1 GLN 7 18.209 -14.389 -26.126 43 1HE2 GLN 7 HE21 GLN 7 16.263 -13.605 -23.268 44 2HE2 GLN 7 HE22 GLN 7 15.300 -15.038 -23.317 45 H GLY 8 HN GLY 8 19.173 -11.551 -26.185 46 1HA GLY 8 HA2 GLY 8 21.334 -9.671 -25.675 47 2HA GLY 8 HA1 GLY 8 20.016 -9.460 -26.816 48 H GLN 9 HN GLN 9 17.844 -9.885 -25.087 49 HA GLN 9 HA GLN 9 17.861 -7.344 -23.681 50 1HB GLN 9 HB2 GLN 9 15.722 -9.312 -24.444 51 2HB GLN 9 HB1 GLN 9 15.393 -8.037 -23.281 52 1HG GLN 9 HG2 GLN 9 16.450 -7.540 -26.050 53 2HG GLN 9 HG1 GLN 9 14.738 -7.518 -25.630 54 1HE2 GLN 9 HE21 GLN 9 17.822 -5.946 -25.166 55 2HE2 GLN 9 HE22 GLN 9 17.190 -4.442 -24.598 56 H ASN 10 HN ASN 10 19.545 -9.159 -22.454 57 HA ASN 10 HA ASN 10 18.324 -10.616 -20.369 58 1HB ASN 10 HB2 ASN 10 20.719 -10.819 -21.337 59 2HB ASN 10 HB1 ASN 10 21.120 -9.529 -20.208 60 1HD2 ASN 10 HD21 ASN 10 19.236 -12.541 -20.156 61 2HD2 ASN 10 HD22 ASN 10 19.909 -13.132 -18.679 62 H LEU 11 HN LEU 11 19.843 -7.425 -20.484 63 HA LEU 11 HA LEU 11 19.536 -6.784 -17.759 64 1HB LEU 11 HB2 LEU 11 19.983 -5.234 -20.269 65 2HB LEU 11 HB1 LEU 11 19.521 -4.358 -18.823 66 HG LEU 11 HG LEU 11 21.766 -6.265 -18.533 67 1HD1 LEU 11 HD11 LEU 11 23.313 -4.420 -19.370 68 2HD1 LEU 11 HD12 LEU 11 21.900 -3.783 -20.213 69 3HD1 LEU 11 HD13 LEU 11 22.494 -5.402 -20.583 70 1HD2 LEU 11 HD21 LEU 11 21.215 -5.055 -16.607 71 2HD2 LEU 11 HD22 LEU 11 21.022 -3.547 -17.501 72 3HD2 LEU 11 HD23 LEU 11 22.631 -4.230 -17.259 73 H SER 12 HN SER 12 17.376 -6.447 -20.515 74 HA SER 12 HA SER 12 15.486 -4.728 -19.391 75 1HB SER 12 HB2 SER 12 15.731 -5.789 -21.816 76 2HB SER 12 HB1 SER 12 14.545 -6.925 -21.175 77 HG SER 12 HG SER 12 13.303 -5.005 -20.580 78 H THR 13 HN THR 13 16.020 -8.148 -18.913 79 HA THR 13 HA THR 13 13.553 -8.330 -17.341 80 HB THR 13 HB THR 13 14.003 -10.071 -19.061 81 HG1 THR 13 HG1 THR 13 12.789 -10.450 -17.062 82 1HG2 THR 13 HG21 THR 13 15.659 -11.687 -18.867 83 2HG2 THR 13 HG22 THR 13 16.075 -11.202 -17.223 84 3HG2 THR 13 HG23 THR 13 16.501 -10.168 -18.583 85 H VAL 14 HN VAL 14 16.645 -7.439 -16.777 86 HA VAL 14 HA VAL 14 17.104 -8.913 -14.329 87 HB VAL 14 HB VAL 14 18.559 -6.495 -15.422 88 1HG1 VAL 14 HG11 VAL 14 18.968 -8.207 -13.023 89 2HG1 VAL 14 HG12 VAL 14 19.194 -6.470 -13.223 90 3HG1 VAL 14 HG13 VAL 14 20.381 -7.593 -13.883 91 1HG2 VAL 14 HG21 VAL 14 20.276 -8.095 -16.119 92 2HG2 VAL 14 HG22 VAL 14 18.734 -8.403 -16.909 93 3HG2 VAL 14 HG23 VAL 14 19.255 -9.423 -15.573 94 H LEU 15 HN LEU 15 15.739 -5.863 -15.316 95 HA LEU 15 HA LEU 15 15.727 -4.706 -12.689 96 1HB LEU 15 HB2 LEU 15 14.710 -3.953 -15.375 97 2HB LEU 15 HB1 LEU 15 13.923 -3.219 -13.990 98 HG LEU 15 HG LEU 15 15.650 -1.748 -14.818 99 1HD1 LEU 15 HD11 LEU 15 16.823 -1.330 -12.796 100 2HD1 LEU 15 HD12 LEU 15 16.663 -3.010 -12.282 101 3HD1 LEU 15 HD13 LEU 15 15.239 -1.969 -12.352 102 1HD2 LEU 15 HD21 LEU 15 16.988 -3.902 -15.625 103 2HD2 LEU 15 HD22 LEU 15 17.840 -3.612 -14.108 104 3HD2 LEU 15 HD23 LEU 15 17.778 -2.351 -15.339 105 H ALA 16 HN ALA 16 13.399 -6.377 -14.754 106 HA ALA 16 HA ALA 16 11.135 -6.026 -13.114 107 1HB ALA 16 HB1 ALA 16 11.077 -8.549 -14.512 108 2HB ALA 16 HB2 ALA 16 11.698 -7.268 -15.553 109 3HB ALA 16 HB3 ALA 16 10.119 -7.092 -14.784 110 H ASN 17 HN ASN 17 11.981 -6.357 -10.981 111 HA ASN 17 HA ASN 17 12.178 -9.208 -10.273 112 1HB ASN 17 HB2 ASN 17 13.825 -6.892 -9.270 113 2HB ASN 17 HB1 ASN 17 13.678 -8.393 -8.359 114 1HD2 ASN 17 HD21 ASN 17 15.564 -9.377 -8.568 115 2HD2 ASN 17 HD22 ASN 17 16.373 -9.699 -10.060 116 H LEU 18 HN LEU 18 12.003 -6.154 -8.463 117 HA LEU 18 HA LEU 18 9.559 -7.151 -7.155 118 1HB LEU 18 HB2 LEU 18 11.867 -5.646 -5.927 119 2HB LEU 18 HB1 LEU 18 10.353 -5.973 -5.103 120 HG LEU 18 HG LEU 18 10.925 -8.474 -5.659 121 1HD1 LEU 18 HD11 LEU 18 12.961 -8.957 -6.405 122 2HD1 LEU 18 HD12 LEU 18 13.723 -7.895 -5.220 123 3HD1 LEU 18 HD13 LEU 18 13.155 -7.238 -6.756 124 1HD2 LEU 18 HD21 LEU 18 10.794 -8.141 -3.426 125 2HD2 LEU 18 HD22 LEU 18 11.796 -6.691 -3.472 126 3HD2 LEU 18 HD23 LEU 18 12.548 -8.284 -3.536 127 H THR 19 HN THR 19 8.316 -5.925 -8.663 128 HA THR 19 HA THR 19 8.647 -3.038 -8.645 129 HB THR 19 HB THR 19 6.686 -4.761 -10.163 130 HG1 THR 19 HG1 THR 19 9.200 -3.668 -10.816 131 1HG2 THR 19 HG21 THR 19 5.635 -2.869 -10.643 132 2HG2 THR 19 HG22 THR 19 7.070 -2.426 -11.567 133 3HG2 THR 19 HG23 THR 19 6.896 -1.889 -9.896 134 HA PRO 20 HA PRO 20 4.160 -3.293 -6.888 135 1HB PRO 20 HB2 PRO 20 3.338 -5.679 -5.864 136 2HB PRO 20 HB1 PRO 20 3.028 -5.174 -7.528 137 1HG PRO 20 HG2 PRO 20 5.147 -6.997 -6.466 138 2HG PRO 20 HG1 PRO 20 4.153 -7.166 -7.924 139 1HD PRO 20 HD2 PRO 20 6.707 -6.294 -8.007 140 2HD PRO 20 HD1 PRO 20 5.472 -5.722 -9.144 141 H GLU 21 HN GLU 21 6.741 -5.170 -5.476 142 HA GLU 21 HA GLU 21 5.921 -4.726 -2.773 143 1HB GLU 21 HB2 GLU 21 8.627 -5.371 -2.785 144 2HB GLU 21 HB1 GLU 21 7.292 -6.433 -2.422 145 1HG GLU 21 HG2 GLU 21 8.427 -6.000 -5.169 146 2HG GLU 21 HG1 GLU 21 8.913 -7.297 -4.089 147 H GLN 22 HN GLN 22 8.390 -3.402 -4.941 148 HA GLN 22 HA GLN 22 9.390 -1.551 -2.996 149 1HB GLN 22 HB2 GLN 22 9.774 -1.830 -5.972 150 2HB GLN 22 HB1 GLN 22 10.503 -0.521 -5.051 151 1HG GLN 22 HG2 GLN 22 10.960 -3.460 -4.591 152 2HG GLN 22 HG1 GLN 22 12.061 -2.360 -5.421 153 1HE2 GLN 22 HE21 GLN 22 12.379 -3.990 -2.975 154 2HE2 GLN 22 HE22 GLN 22 12.865 -2.880 -1.745 155 H GLN 23 HN GLN 23 7.507 -1.155 -5.995 156 HA GLN 23 HA GLN 23 7.002 1.556 -5.824 157 1HB GLN 23 HB2 GLN 23 6.442 0.149 -7.772 158 2HB GLN 23 HB1 GLN 23 5.123 -0.575 -6.861 159 1HG GLN 23 HG2 GLN 23 4.484 2.024 -6.615 160 2HG GLN 23 HG1 GLN 23 5.306 2.051 -8.174 161 1HE2 GLN 23 HE21 GLN 23 4.574 -0.537 -9.030 162 2HE2 GLN 23 HE22 GLN 23 2.880 -0.528 -9.367 163 H LYS 24 HN LYS 24 5.468 -1.093 -4.124 164 HA LYS 24 HA LYS 24 3.307 0.480 -3.091 165 1HB LYS 24 HB2 LYS 24 4.341 -2.286 -2.664 166 2HB LYS 24 HB1 LYS 24 3.298 -1.593 -1.426 167 1HG LYS 24 HG2 LYS 24 2.307 -1.301 -4.176 168 2HG LYS 24 HG1 LYS 24 2.415 -2.962 -3.585 169 1HD LYS 24 HD2 LYS 24 0.261 -2.277 -2.987 170 2HD LYS 24 HD1 LYS 24 1.199 -2.108 -1.503 171 1HE LYS 24 HE2 LYS 24 1.556 0.339 -2.416 172 2HE LYS 24 HE1 LYS 24 0.072 -0.015 -3.295 173 1HZ LYS 24 HZ1 LYS 24 -0.779 -0.752 -0.993 174 2HZ LYS 24 HZ2 LYS 24 -0.692 0.902 -1.339 175 3HZ LYS 24 HZ3 LYS 24 0.502 0.173 -0.388 176 H ASN 25 HN ASN 25 6.503 -0.441 -2.013 177 HA ASN 25 HA ASN 25 6.381 0.163 0.679 178 1HB ASN 25 HB2 ASN 25 8.331 -0.873 -0.383 179 2HB ASN 25 HB1 ASN 25 8.691 0.636 -1.216 180 1HD2 ASN 25 HD21 ASN 25 9.568 -1.222 1.293 181 2HD2 ASN 25 HD22 ASN 25 10.231 -0.024 2.348 182 H VAL 26 HN VAL 26 7.322 2.377 -1.963 183 HA VAL 26 HA VAL 26 7.685 4.658 -0.418 184 HB VAL 26 HB VAL 26 8.118 4.251 -2.959 185 1HG1 VAL 26 HG11 VAL 26 5.792 3.921 -3.611 186 2HG1 VAL 26 HG12 VAL 26 6.488 5.317 -4.434 187 3HG1 VAL 26 HG13 VAL 26 5.400 5.551 -3.068 188 1HG2 VAL 26 HG21 VAL 26 8.259 6.658 -3.324 189 2HG2 VAL 26 HG22 VAL 26 8.819 6.224 -1.710 190 3HG2 VAL 26 HG23 VAL 26 7.220 6.937 -1.927 191 H LEU 27 HN LEU 27 4.736 3.444 -1.963 192 HA LEU 27 HA LEU 27 3.035 5.556 -1.343 193 1HB LEU 27 HB2 LEU 27 2.348 2.620 -1.471 194 2HB LEU 27 HB1 LEU 27 1.211 3.948 -1.601 195 HG LEU 27 HG LEU 27 3.432 3.391 -3.564 196 1HD1 LEU 27 HD11 LEU 27 0.539 2.634 -3.515 197 2HD1 LEU 27 HD12 LEU 27 1.945 1.645 -3.908 198 3HD1 LEU 27 HD13 LEU 27 1.385 2.873 -5.042 199 1HD2 LEU 27 HD21 LEU 27 1.930 5.724 -3.080 200 2HD2 LEU 27 HD22 LEU 27 1.299 5.009 -4.565 201 3HD2 LEU 27 HD23 LEU 27 3.016 5.391 -4.430 202 H GLY 28 HN GLY 28 3.703 2.587 0.513 203 1HA GLY 28 HA2 GLY 28 1.984 3.132 2.660 204 2HA GLY 28 HA1 GLY 28 3.392 2.086 2.729 205 H GLU 29 HN GLU 29 5.447 3.885 2.280 206 HA GLU 29 HA GLU 29 5.860 4.962 4.823 207 1HB GLU 29 HB2 GLU 29 7.161 5.795 2.220 208 2HB GLU 29 HB1 GLU 29 7.775 6.147 3.830 209 1HG GLU 29 HG2 GLU 29 7.316 3.325 3.515 210 2HG GLU 29 HG1 GLU 29 8.358 3.941 2.233 211 H ARG 30 HN ARG 30 5.125 6.672 1.792 212 HA ARG 30 HA ARG 30 4.724 9.190 3.034 213 1HB ARG 30 HB2 ARG 30 3.761 8.175 0.356 214 2HB ARG 30 HB1 ARG 30 3.756 9.858 0.862 215 1HG ARG 30 HG2 ARG 30 6.249 8.182 0.671 216 2HG ARG 30 HG1 ARG 30 5.649 9.209 -0.632 217 1HD ARG 30 HD2 ARG 30 5.912 10.481 2.020 218 2HD ARG 30 HD1 ARG 30 7.418 10.031 1.220 219 HE ARG 30 HE ARG 30 5.563 12.100 0.421 220 1HH1 ARG 30 HH11 ARG 30 8.213 10.046 -0.555 221 2HH1 ARG 30 HH12 ARG 30 8.718 11.096 -1.837 222 1HH2 ARG 30 HH21 ARG 30 6.225 13.478 -1.266 223 2HH2 ARG 30 HH22 ARG 30 7.590 13.044 -2.240 224 H LEU 31 HN LEU 31 2.802 6.397 2.921 225 HA LEU 31 HA LEU 31 0.234 7.656 2.931 226 1HB LEU 31 HB2 LEU 31 1.241 5.049 2.704 227 2HB LEU 31 HB1 LEU 31 0.272 5.047 4.153 228 HG LEU 31 HG LEU 31 -1.209 6.369 2.122 229 1HD1 LEU 31 HD11 LEU 31 0.142 5.291 0.459 230 2HD1 LEU 31 HD12 LEU 31 -1.426 4.485 0.521 231 3HD1 LEU 31 HD13 LEU 31 -0.020 3.737 1.276 232 1HD2 LEU 31 HD21 LEU 31 -2.857 4.777 2.656 233 2HD2 LEU 31 HD22 LEU 31 -1.952 5.028 4.149 234 3HD2 LEU 31 HD23 LEU 31 -1.658 3.591 3.173 235 H TYR 32 HN TYR 32 1.978 5.807 5.409 236 HA TYR 32 HA TYR 32 0.390 6.324 7.581 237 1HB TYR 32 HB2 TYR 32 2.408 4.789 7.397 238 2HB TYR 32 HB1 TYR 32 3.413 6.203 7.680 239 HD1 TYR 32 HD1 TYR 32 3.154 7.438 9.876 240 HD2 TYR 32 HD2 TYR 32 1.455 3.600 9.185 241 HE1 TYR 32 HE1 TYR 32 2.979 7.085 12.302 242 HE2 TYR 32 HE2 TYR 32 1.269 3.238 11.609 243 HH TYR 32 HH TYR 32 1.117 4.685 13.683 244 H ASN 33 HN ASN 33 2.775 8.434 6.116 245 HA ASN 33 HA ASN 33 2.932 10.317 8.227 246 1HB ASN 33 HB2 ASN 33 4.684 10.297 6.607 247 2HB ASN 33 HB1 ASN 33 3.546 10.480 5.278 248 1HD2 ASN 33 HD21 ASN 33 2.210 12.539 5.382 249 2HD2 ASN 33 HD22 ASN 33 3.070 13.977 5.822 250 H HIS 34 HN HIS 34 0.857 10.105 5.377 251 HA HIS 34 HA HIS 34 -0.251 12.668 5.593 252 1HB HIS 34 HB2 HIS 34 -1.927 11.928 4.098 253 2HB HIS 34 HB1 HIS 34 -0.466 11.083 3.625 254 HD1 HIS 34 HD1 HIS 34 -1.098 8.784 2.911 255 HD2 HIS 34 HD2 HIS 34 -3.349 10.087 6.123 256 HE1 HIS 34 HE1 HIS 34 -2.604 6.853 3.514 257 HE2 HIS 34 HE2 HIS 34 -3.896 7.643 5.515 258 H ILE 35 HN ILE 35 -1.136 9.614 6.999 259 HA ILE 35 HA ILE 35 -3.373 10.801 8.438 260 HB ILE 35 HB ILE 35 -3.961 8.758 7.423 261 1HG1 ILE 35 HG12 ILE 35 -3.427 7.866 10.243 262 2HG1 ILE 35 HG11 ILE 35 -4.591 9.142 9.897 263 1HG2 ILE 35 HG21 ILE 35 -1.758 7.869 6.998 264 2HG2 ILE 35 HG22 ILE 35 -2.753 6.656 7.796 265 3HG2 ILE 35 HG23 ILE 35 -1.531 7.538 8.715 266 1HD1 ILE 35 HD11 ILE 35 -4.717 6.238 9.275 267 2HD1 ILE 35 HD12 ILE 35 -5.555 7.377 8.219 268 3HD1 ILE 35 HD13 ILE 35 -5.953 7.309 9.935 269 H VAL 36 HN VAL 36 -0.128 9.611 9.160 270 HA VAL 36 HA VAL 36 -0.402 8.967 11.822 271 HB VAL 36 HB VAL 36 1.753 8.732 10.694 272 1HG1 VAL 36 HG11 VAL 36 2.144 11.697 11.029 273 2HG1 VAL 36 HG12 VAL 36 1.623 10.958 9.516 274 3HG1 VAL 36 HG13 VAL 36 3.194 10.548 10.199 275 1HG2 VAL 36 HG21 VAL 36 1.431 9.052 13.259 276 2HG2 VAL 36 HG22 VAL 36 2.286 10.571 12.987 277 3HG2 VAL 36 HG23 VAL 36 3.059 9.041 12.577 278 H ALA 37 HN ALA 37 0.229 12.234 10.524 279 HA ALA 37 HA ALA 37 0.041 13.509 13.060 280 1HB ALA 37 HB1 ALA 37 -0.151 14.615 10.261 281 2HB ALA 37 HB2 ALA 37 1.281 14.566 11.289 282 3HB ALA 37 HB3 ALA 37 -0.079 15.602 11.721 283 H ILE 38 HN ILE 38 -2.231 12.557 10.633 284 HA ILE 38 HA ILE 38 -4.363 14.226 11.686 285 HB ILE 38 HB ILE 38 -4.635 12.048 9.624 286 1HG1 ILE 38 HG12 ILE 38 -2.862 13.580 8.939 287 2HG1 ILE 38 HG11 ILE 38 -4.294 13.841 7.951 288 1HG2 ILE 38 HG21 ILE 38 -6.354 14.098 9.011 289 2HG2 ILE 38 HG22 ILE 38 -6.397 14.071 10.773 290 3HG2 ILE 38 HG23 ILE 38 -6.787 12.614 9.859 291 1HD1 ILE 38 HD11 ILE 38 -3.198 15.554 10.142 292 2HD1 ILE 38 HD12 ILE 38 -4.852 15.730 9.555 293 3HD1 ILE 38 HD13 ILE 38 -3.495 15.975 8.456 294 H ASN 39 HN ASN 39 -4.205 10.692 11.123 295 HA ASN 39 HA ASN 39 -5.686 10.349 13.646 296 1HB ASN 39 HB2 ASN 39 -6.629 9.725 11.094 297 2HB ASN 39 HB1 ASN 39 -6.128 8.178 11.766 298 1HD2 ASN 39 HD21 ASN 39 -6.716 8.324 14.355 299 2HD2 ASN 39 HD22 ASN 39 -8.407 8.577 14.603 300 HA PRO 40 HA PRO 40 -1.550 8.241 13.990 301 1HB PRO 40 HB2 PRO 40 -2.380 8.570 16.827 302 2HB PRO 40 HB1 PRO 40 -0.813 8.873 16.069 303 1HG PRO 40 HG2 PRO 40 -2.434 10.885 16.759 304 2HG PRO 40 HG1 PRO 40 -1.440 10.958 15.294 305 1HD PRO 40 HD2 PRO 40 -4.365 10.490 15.582 306 2HD PRO 40 HD1 PRO 40 -3.473 11.307 14.284 307 H ALA 41 HN ALA 41 -4.686 7.625 15.459 308 HA ALA 41 HA ALA 41 -3.947 4.872 16.074 309 1HB ALA 41 HB1 ALA 41 -6.091 4.725 17.192 310 2HB ALA 41 HB2 ALA 41 -6.553 6.308 16.565 311 3HB ALA 41 HB3 ALA 41 -5.228 6.169 17.723 312 H ALA 42 HN ALA 42 -3.882 5.381 13.367 313 HA ALA 42 HA ALA 42 -5.778 3.446 12.413 314 1HB ALA 42 HB1 ALA 42 -7.332 5.033 11.958 315 2HB ALA 42 HB2 ALA 42 -6.363 5.197 10.494 316 3HB ALA 42 HB3 ALA 42 -6.139 6.324 11.831 317 H ALA 43 HN ALA 43 -3.300 5.843 11.635 318 HA ALA 43 HA ALA 43 -2.462 5.195 9.151 319 1HB ALA 43 HB1 ALA 43 -0.530 5.496 11.444 320 2HB ALA 43 HB2 ALA 43 -1.382 6.845 10.690 321 3HB ALA 43 HB3 ALA 43 -0.252 5.877 9.745 322 H ALA 44 HN ALA 44 -1.469 3.452 12.096 323 HA ALA 44 HA ALA 44 0.112 1.512 10.970 324 1HB ALA 44 HB1 ALA 44 -1.185 0.152 12.983 325 2HB ALA 44 HB2 ALA 44 -1.349 1.843 13.458 326 3HB ALA 44 HB3 ALA 44 0.251 1.160 13.169 327 H LYS 45 HN LYS 45 -3.389 1.672 11.120 328 HA LYS 45 HA LYS 45 -3.712 -0.980 9.987 329 1HB LYS 45 HB2 LYS 45 -5.586 1.155 10.953 330 2HB LYS 45 HB1 LYS 45 -6.187 -0.166 9.959 331 1HG LYS 45 HG2 LYS 45 -4.567 -0.762 12.391 332 2HG LYS 45 HG1 LYS 45 -6.277 -0.346 12.542 333 1HD LYS 45 HD2 LYS 45 -6.566 -2.563 12.260 334 2HD LYS 45 HD1 LYS 45 -6.397 -2.162 10.554 335 1HE LYS 45 HE2 LYS 45 -4.029 -2.701 10.646 336 2HE LYS 45 HE1 LYS 45 -4.157 -3.045 12.372 337 1HZ LYS 45 HZ1 LYS 45 -5.276 -4.991 11.989 338 2HZ LYS 45 HZ2 LYS 45 -4.257 -4.960 10.638 339 3HZ LYS 45 HZ3 LYS 45 -5.878 -4.499 10.486 340 H VAL 46 HN VAL 46 -4.355 2.373 9.044 341 HA VAL 46 HA VAL 46 -5.389 1.875 6.497 342 HB VAL 46 HB VAL 46 -3.840 4.251 7.540 343 1HG1 VAL 46 HG11 VAL 46 -5.295 3.870 4.938 344 2HG1 VAL 46 HG12 VAL 46 -3.618 4.353 5.184 345 3HG1 VAL 46 HG13 VAL 46 -4.924 5.459 5.606 346 1HG2 VAL 46 HG21 VAL 46 -6.152 5.267 7.531 347 2HG2 VAL 46 HG22 VAL 46 -5.863 4.016 8.738 348 3HG2 VAL 46 HG23 VAL 46 -6.771 3.637 7.276 349 H THR 47 HN THR 47 -2.077 2.612 7.510 350 HA THR 47 HA THR 47 -0.908 2.492 4.959 351 HB THR 47 HB THR 47 0.244 2.150 7.730 352 HG1 THR 47 HG1 THR 47 0.335 4.236 7.691 353 1HG2 THR 47 HG21 THR 47 1.696 2.379 5.111 354 2HG2 THR 47 HG22 THR 47 1.844 1.110 6.328 355 3HG2 THR 47 HG23 THR 47 2.430 2.737 6.672 356 H GLY 48 HN GLY 48 -0.984 0.048 7.556 357 1HA GLY 48 HA2 GLY 48 0.386 -1.915 6.027 358 2HA GLY 48 HA1 GLY 48 -0.482 -2.194 7.529 359 H MET 49 HN MET 49 -3.025 -1.749 7.037 360 HA MET 49 HA MET 49 -3.759 -3.955 5.398 361 1HB MET 49 HB2 MET 49 -5.501 -1.821 6.644 362 2HB MET 49 HB1 MET 49 -6.084 -3.314 5.925 363 1HG MET 49 HG2 MET 49 -4.416 -2.998 8.405 364 2HG MET 49 HG1 MET 49 -6.069 -3.595 8.281 365 1HE MET 49 HE1 MET 49 -2.808 -4.424 9.107 366 2HE MET 49 HE2 MET 49 -2.206 -4.584 7.457 367 3HE MET 49 HE3 MET 49 -2.392 -6.015 8.469 368 H LEU 50 HN LEU 50 -4.299 -0.453 5.125 369 HA LEU 50 HA LEU 50 -5.224 0.756 3.373 370 1HB LEU 50 HB2 LEU 50 -2.669 0.653 3.236 371 2HB LEU 50 HB1 LEU 50 -2.912 -0.424 1.875 372 HG LEU 50 HG LEU 50 -4.111 1.302 0.660 373 1HD1 LEU 50 HD11 LEU 50 -3.735 2.905 3.179 374 2HD1 LEU 50 HD12 LEU 50 -5.240 2.506 2.353 375 3HD1 LEU 50 HD13 LEU 50 -4.112 3.643 1.621 376 1HD2 LEU 50 HD21 LEU 50 -2.278 2.772 0.203 377 2HD2 LEU 50 HD22 LEU 50 -1.625 1.172 0.557 378 3HD2 LEU 50 HD23 LEU 50 -1.555 2.440 1.777 379 H LEU 51 HN LEU 51 -3.946 -2.118 1.707 380 HA LEU 51 HA LEU 51 -5.870 -2.004 -0.362 381 1HB LEU 51 HB2 LEU 51 -4.118 -4.307 0.485 382 2HB LEU 51 HB1 LEU 51 -4.957 -4.165 -1.049 383 HG LEU 51 HG LEU 51 -3.309 -1.842 -0.617 384 1HD1 LEU 51 HD11 LEU 51 -1.286 -2.617 -0.072 385 2HD1 LEU 51 HD12 LEU 51 -1.492 -4.101 -1.000 386 3HD1 LEU 51 HD13 LEU 51 -2.166 -3.977 0.625 387 1HD2 LEU 51 HD21 LEU 51 -2.408 -2.483 -2.789 388 2HD2 LEU 51 HD22 LEU 51 -4.168 -2.590 -2.777 389 3HD2 LEU 51 HD23 LEU 51 -3.193 -4.056 -2.662 390 H GLU 52 HN GLU 52 -7.708 -1.795 1.261 391 HA GLU 52 HA GLU 52 -8.629 -4.339 2.331 392 1HB GLU 52 HB2 GLU 52 -10.251 -1.819 2.411 393 2HB GLU 52 HB1 GLU 52 -10.193 -3.138 3.569 394 1HG GLU 52 HG2 GLU 52 -7.707 -1.581 3.235 395 2HG GLU 52 HG1 GLU 52 -9.066 -0.749 3.983 396 H MET 53 HN MET 53 -11.228 -4.454 2.036 397 HA MET 53 HA MET 53 -11.577 -5.156 -0.696 398 1HB MET 53 HB2 MET 53 -13.305 -5.177 1.735 399 2HB MET 53 HB1 MET 53 -14.069 -5.357 0.163 400 1HG MET 53 HG2 MET 53 -11.791 -7.077 1.088 401 2HG MET 53 HG1 MET 53 -13.483 -7.483 1.366 402 1HE MET 53 HE1 MET 53 -15.121 -7.790 -0.107 403 2HE MET 53 HE2 MET 53 -14.757 -9.152 -1.164 404 3HE MET 53 HE3 MET 53 -15.078 -7.563 -1.854 405 H ASP 54 HN ASP 54 -13.428 -2.798 1.264 406 HA ASP 54 HA ASP 54 -14.275 -1.487 -1.190 407 1HB ASP 54 HB2 ASP 54 -15.654 -0.091 0.381 408 2HB ASP 54 HB1 ASP 54 -16.057 -1.796 0.316 409 H ASN 55 HN ASN 55 -13.238 -0.135 1.930 410 HA ASN 55 HA ASN 55 -12.393 2.310 1.030 411 1HB ASN 55 HB2 ASN 55 -12.592 1.846 3.382 412 2HB ASN 55 HB1 ASN 55 -11.346 0.604 3.292 413 1HD2 ASN 55 HD21 ASN 55 -9.545 1.224 4.192 414 2HD2 ASN 55 HD22 ASN 55 -8.877 2.816 4.161 415 H GLY 56 HN GLY 56 -10.831 -0.773 0.675 416 1HA GLY 56 HA2 GLY 56 -8.194 0.142 0.195 417 2HA GLY 56 HA1 GLY 56 -8.850 -1.417 -0.276 418 H GLU 57 HN GLU 57 -10.563 -1.142 -2.172 419 HA GLU 57 HA GLU 57 -9.337 -0.720 -4.508 420 1HB GLU 57 HB2 GLU 57 -12.173 0.152 -3.955 421 2HB GLU 57 HB1 GLU 57 -11.490 -0.186 -5.539 422 1HG GLU 57 HG2 GLU 57 -11.293 -2.339 -3.529 423 2HG GLU 57 HG1 GLU 57 -12.901 -1.966 -4.143 424 H ILE 58 HN ILE 58 -11.099 1.878 -2.828 425 HA ILE 58 HA ILE 58 -10.568 3.946 -4.606 426 HB ILE 58 HB ILE 58 -10.893 4.051 -1.605 427 1HG1 ILE 58 HG12 ILE 58 -13.171 5.059 -2.558 428 2HG1 ILE 58 HG11 ILE 58 -12.750 4.041 -3.931 429 1HG2 ILE 58 HG21 ILE 58 -9.756 6.067 -2.423 430 2HG2 ILE 58 HG22 ILE 58 -11.388 6.422 -1.858 431 3HG2 ILE 58 HG23 ILE 58 -11.058 6.320 -3.589 432 1HD1 ILE 58 HD11 ILE 58 -13.216 2.148 -2.829 433 2HD1 ILE 58 HD12 ILE 58 -14.176 3.213 -1.801 434 3HD1 ILE 58 HD13 ILE 58 -12.549 2.740 -1.308 435 H LEU 59 HN LEU 59 -8.686 2.802 -1.845 436 HA LEU 59 HA LEU 59 -6.710 4.556 -1.499 437 1HB LEU 59 HB2 LEU 59 -5.484 2.872 -0.582 438 2HB LEU 59 HB1 LEU 59 -7.034 2.068 -0.695 439 HG LEU 59 HG LEU 59 -6.158 1.202 -2.989 440 1HD1 LEU 59 HD11 LEU 59 -3.914 2.705 -2.085 441 2HD1 LEU 59 HD12 LEU 59 -4.088 1.762 -3.566 442 3HD1 LEU 59 HD13 LEU 59 -3.467 0.999 -2.102 443 1HD2 LEU 59 HD21 LEU 59 -5.731 -0.768 -1.972 444 2HD2 LEU 59 HD22 LEU 59 -6.376 0.083 -0.568 445 3HD2 LEU 59 HD23 LEU 59 -4.631 -0.054 -0.794 446 H ASN 60 HN ASN 60 -7.007 2.430 -4.268 447 HA ASN 60 HA ASN 60 -4.590 2.639 -5.498 448 1HB ASN 60 HB2 ASN 60 -6.496 1.331 -6.365 449 2HB ASN 60 HB1 ASN 60 -7.267 2.824 -6.894 450 1HD2 ASN 60 HD21 ASN 60 -3.871 1.854 -7.070 451 2HD2 ASN 60 HD22 ASN 60 -3.758 1.930 -8.792 452 H LEU 61 HN LEU 61 -6.930 5.189 -5.120 453 HA LEU 61 HA LEU 61 -5.311 6.932 -6.851 454 1HB LEU 61 HB2 LEU 61 -8.041 7.603 -5.800 455 2HB LEU 61 HB1 LEU 61 -7.198 8.301 -7.169 456 HG LEU 61 HG LEU 61 -7.687 5.438 -7.486 457 1HD1 LEU 61 HD11 LEU 61 -9.684 5.965 -6.187 458 2HD1 LEU 61 HD12 LEU 61 -10.089 5.633 -7.872 459 3HD1 LEU 61 HD13 LEU 61 -10.055 7.296 -7.284 460 1HD2 LEU 61 HD21 LEU 61 -7.030 6.510 -9.414 461 2HD2 LEU 61 HD22 LEU 61 -7.980 7.954 -9.061 462 3HD2 LEU 61 HD23 LEU 61 -8.784 6.484 -9.610 463 H LEU 62 HN LEU 62 -4.051 6.540 -4.570 464 HA LEU 62 HA LEU 62 -4.413 7.630 -2.216 465 1HB LEU 62 HB2 LEU 62 -2.034 8.298 -3.935 466 2HB LEU 62 HB1 LEU 62 -2.085 8.453 -2.190 467 HG LEU 62 HG LEU 62 -2.740 5.794 -3.293 468 1HD1 LEU 62 HD11 LEU 62 -0.569 5.165 -3.867 469 2HD1 LEU 62 HD12 LEU 62 0.138 6.613 -3.152 470 3HD1 LEU 62 HD13 LEU 62 -0.789 6.730 -4.649 471 1HD2 LEU 62 HD21 LEU 62 -2.718 5.909 -0.960 472 2HD2 LEU 62 HD22 LEU 62 -1.260 6.903 -0.933 473 3HD2 LEU 62 HD23 LEU 62 -1.156 5.196 -1.367 474 H ASP 63 HN ASP 63 -5.986 9.196 -2.076 475 HA ASP 63 HA ASP 63 -5.289 11.875 -3.087 476 1HB ASP 63 HB2 ASP 63 -7.624 10.403 -3.447 477 2HB ASP 63 HB1 ASP 63 -8.043 11.567 -2.196 478 H THR 64 HN THR 64 -5.962 13.718 -1.720 479 HA THR 64 HA THR 64 -5.146 13.275 0.984 480 HB THR 64 HB THR 64 -6.412 15.859 0.441 481 HG1 THR 64 HG1 THR 64 -5.709 15.759 -1.592 482 1HG2 THR 64 HG21 THR 64 -5.004 16.180 2.146 483 2HG2 THR 64 HG22 THR 64 -3.790 16.358 0.878 484 3HG2 THR 64 HG23 THR 64 -3.989 14.811 1.700 485 HA PRO 65 HA PRO 65 -9.715 14.250 1.979 486 1HB PRO 65 HB2 PRO 65 -11.528 14.222 -0.048 487 2HB PRO 65 HB1 PRO 65 -10.673 15.672 0.479 488 1HG PRO 65 HG2 PRO 65 -10.248 13.995 -1.922 489 2HG PRO 65 HG1 PRO 65 -9.946 15.722 -1.682 490 1HD PRO 65 HD2 PRO 65 -8.023 13.689 -1.665 491 2HD PRO 65 HD1 PRO 65 -7.796 15.348 -1.085 492 H GLY 66 HN GLY 66 -10.378 12.355 -0.961 493 1HA GLY 66 HA2 GLY 66 -12.022 10.464 0.091 494 2HA GLY 66 HA1 GLY 66 -10.937 10.143 -1.252 495 H LEU 67 HN LEU 67 -8.499 9.980 -0.288 496 HA LEU 67 HA LEU 67 -8.341 7.504 0.967 497 1HB LEU 67 HB2 LEU 67 -6.591 9.539 0.028 498 2HB LEU 67 HB1 LEU 67 -6.026 9.035 1.601 499 HG LEU 67 HG LEU 67 -5.061 7.894 -0.478 500 1HD1 LEU 67 HD11 LEU 67 -6.161 5.891 1.426 501 2HD1 LEU 67 HD12 LEU 67 -5.057 7.135 2.008 502 3HD1 LEU 67 HD13 LEU 67 -4.544 6.025 0.737 503 1HD2 LEU 67 HD21 LEU 67 -6.291 6.481 -1.729 504 2HD2 LEU 67 HD22 LEU 67 -7.615 7.515 -1.196 505 3HD2 LEU 67 HD23 LEU 67 -7.303 5.987 -0.371 506 H LEU 68 HN LEU 68 -7.219 10.530 2.481 507 HA LEU 68 HA LEU 68 -7.090 9.601 5.062 508 1HB LEU 68 HB2 LEU 68 -7.427 12.278 3.865 509 2HB LEU 68 HB1 LEU 68 -7.765 12.136 5.575 510 HG LEU 68 HG LEU 68 -5.423 10.907 5.592 511 1HD1 LEU 68 HD11 LEU 68 -4.763 12.901 3.503 512 2HD1 LEU 68 HD12 LEU 68 -5.458 11.368 2.979 513 3HD1 LEU 68 HD13 LEU 68 -3.964 11.385 3.919 514 1HD2 LEU 68 HD21 LEU 68 -4.884 12.673 6.809 515 2HD2 LEU 68 HD22 LEU 68 -6.370 13.446 6.260 516 3HD2 LEU 68 HD23 LEU 68 -4.858 13.722 5.392 517 H ASP 69 HN ASP 69 -9.971 10.491 3.293 518 HA ASP 69 HA ASP 69 -11.606 10.661 5.654 519 1HB ASP 69 HB2 ASP 69 -12.070 11.810 3.417 520 2HB ASP 69 HB1 ASP 69 -12.624 10.238 2.849 521 H ALA 70 HN ALA 70 -11.606 8.352 2.920 522 HA ALA 70 HA ALA 70 -13.188 6.453 4.312 523 1HB ALA 70 HB1 ALA 70 -12.822 6.733 1.773 524 2HB ALA 70 HB2 ALA 70 -13.004 5.108 2.432 525 3HB ALA 70 HB3 ALA 70 -11.401 5.721 2.026 526 H LYS 71 HN LYS 71 -9.843 7.187 4.424 527 HA LYS 71 HA LYS 71 -8.962 4.565 5.210 528 1HB LYS 71 HB2 LYS 71 -7.625 7.265 5.267 529 2HB LYS 71 HB1 LYS 71 -6.824 5.774 5.744 530 1HG LYS 71 HG2 LYS 71 -7.969 6.331 3.013 531 2HG LYS 71 HG1 LYS 71 -6.268 6.458 3.453 532 1HD LYS 71 HD2 LYS 71 -5.975 4.273 3.159 533 2HD LYS 71 HD1 LYS 71 -7.337 3.894 4.212 534 1HE LYS 71 HE2 LYS 71 -8.871 4.252 2.342 535 2HE LYS 71 HE1 LYS 71 -7.515 4.632 1.291 536 1HZ LYS 71 HZ1 LYS 71 -8.496 2.266 1.291 537 2HZ LYS 71 HZ2 LYS 71 -7.593 2.053 2.704 538 3HZ LYS 71 HZ3 LYS 71 -6.815 2.458 1.258 539 H VAL 72 HN VAL 72 -9.188 7.691 6.954 540 HA VAL 72 HA VAL 72 -8.526 6.683 9.488 541 HB VAL 72 HB VAL 72 -9.619 8.688 10.416 542 1HG1 VAL 72 HG11 VAL 72 -7.961 10.078 9.759 543 2HG1 VAL 72 HG12 VAL 72 -8.221 9.769 8.046 544 3HG1 VAL 72 HG13 VAL 72 -7.342 8.598 9.029 545 1HG2 VAL 72 HG21 VAL 72 -10.728 8.864 7.649 546 2HG2 VAL 72 HG22 VAL 72 -10.456 10.337 8.582 547 3HG2 VAL 72 HG23 VAL 72 -11.536 9.087 9.201 548 H GLN 73 HN GLN 73 -11.644 7.014 7.881 549 HA GLN 73 HA GLN 73 -13.213 6.254 10.104 550 1HB GLN 73 HB2 GLN 73 -13.926 5.944 7.191 551 2HB GLN 73 HB1 GLN 73 -15.034 6.100 8.548 552 1HG GLN 73 HG2 GLN 73 -13.112 8.226 7.633 553 2HG GLN 73 HG1 GLN 73 -14.826 8.163 7.220 554 1HE2 GLN 73 HE21 GLN 73 -13.439 10.260 8.579 555 2HE2 GLN 73 HE22 GLN 73 -14.149 10.413 10.146 556 H GLU 74 HN GLU 74 -12.151 4.411 7.234 557 HA GLU 74 HA GLU 74 -13.260 1.958 8.025 558 1HB GLU 74 HB2 GLU 74 -12.504 2.406 5.750 559 2HB GLU 74 HB1 GLU 74 -10.837 2.470 6.305 560 1HG GLU 74 HG2 GLU 74 -11.627 0.329 5.201 561 2HG GLU 74 HG1 GLU 74 -10.770 0.177 6.731 562 H ALA 75 HN ALA 75 -10.033 3.325 8.519 563 HA ALA 75 HA ALA 75 -8.886 1.109 9.809 564 1HB ALA 75 HB1 ALA 75 -7.077 2.452 10.195 565 2HB ALA 75 HB2 ALA 75 -8.069 3.857 10.588 566 3HB ALA 75 HB3 ALA 75 -7.866 3.365 8.910 567 H LEU 76 HN LEU 76 -10.387 4.035 11.167 568 HA LEU 76 HA LEU 76 -10.144 3.192 13.863 569 1HB LEU 76 HB2 LEU 76 -11.689 5.330 12.450 570 2HB LEU 76 HB1 LEU 76 -12.015 4.997 14.136 571 HG LEU 76 HG LEU 76 -9.380 5.885 12.975 572 1HD1 LEU 76 HD11 LEU 76 -10.056 7.967 13.332 573 2HD1 LEU 76 HD12 LEU 76 -10.478 7.585 15.002 574 3HD1 LEU 76 HD13 LEU 76 -11.662 7.348 13.717 575 1HD2 LEU 76 HD21 LEU 76 -9.626 4.315 15.160 576 2HD2 LEU 76 HD22 LEU 76 -9.809 5.909 15.888 577 3HD2 LEU 76 HD23 LEU 76 -8.363 5.527 14.955 578 H GLU 77 HN GLU 77 -12.476 2.593 11.367 579 HA GLU 77 HA GLU 77 -14.628 1.817 13.068 580 1HB GLU 77 HB2 GLU 77 -14.794 2.526 10.635 581 2HB GLU 77 HB1 GLU 77 -14.197 0.927 10.217 582 1HG GLU 77 HG2 GLU 77 -16.364 0.399 10.123 583 2HG GLU 77 HG1 GLU 77 -16.238 0.299 11.880 584 H VAL 78 HN VAL 78 -12.229 -0.029 11.192 585 HA VAL 78 HA VAL 78 -13.066 -2.493 12.514 586 HB VAL 78 HB VAL 78 -12.654 -2.521 10.080 587 1HG1 VAL 78 HG11 VAL 78 -10.951 -1.265 9.355 588 2HG1 VAL 78 HG12 VAL 78 -9.940 -2.653 9.758 589 3HG1 VAL 78 HG13 VAL 78 -10.118 -1.328 10.908 590 1HG2 VAL 78 HG21 VAL 78 -12.055 -4.666 10.217 591 2HG2 VAL 78 HG22 VAL 78 -11.901 -4.394 11.954 592 3HG2 VAL 78 HG23 VAL 78 -10.482 -4.272 10.912 593 H LEU 79 HN LEU 79 -10.643 -0.082 12.797 594 HA LEU 79 HA LEU 79 -8.680 0.063 13.956 595 1HB LEU 79 HB2 LEU 79 -10.740 -0.432 15.637 596 2HB LEU 79 HB1 LEU 79 -9.680 -1.766 16.052 597 HG LEU 79 HG LEU 79 -7.851 -0.019 16.391 598 1HD1 LEU 79 HD11 LEU 79 -9.958 1.990 16.875 599 2HD1 LEU 79 HD12 LEU 79 -9.515 1.695 15.194 600 3HD1 LEU 79 HD13 LEU 79 -8.285 2.195 16.355 601 1HD2 LEU 79 HD21 LEU 79 -10.280 -0.285 18.126 602 2HD2 LEU 79 HD22 LEU 79 -8.911 0.709 18.615 603 3HD2 LEU 79 HD23 LEU 79 -8.688 -1.016 18.324 604 H ASN 80 HN ASN 80 -7.336 -1.625 15.678 605 HA ASN 80 HA ASN 80 -6.114 -3.439 13.820 606 1HB ASN 80 HB2 ASN 80 -5.512 -3.279 16.767 607 2HB ASN 80 HB1 ASN 80 -4.438 -3.763 15.459 608 1HD2 ASN 80 HD21 ASN 80 -3.575 -2.169 14.092 609 2HD2 ASN 80 HD22 ASN 80 -3.505 -0.511 14.576 610 H ARG 81 HN ARG 81 -8.944 -3.894 15.024 611 HA ARG 81 HA ARG 81 -8.791 -6.274 16.526 612 1HB ARG 81 HB2 ARG 81 -10.953 -4.865 15.001 613 2HB ARG 81 HB1 ARG 81 -11.236 -6.492 15.607 614 1HG ARG 81 HG2 ARG 81 -10.130 -4.572 17.549 615 2HG ARG 81 HG1 ARG 81 -11.780 -4.267 17.002 616 1HD ARG 81 HD2 ARG 81 -12.562 -6.290 17.838 617 2HD ARG 81 HD1 ARG 81 -10.953 -7.002 17.886 618 HE ARG 81 HE ARG 81 -10.491 -5.731 19.849 619 1HH1 ARG 81 HH11 ARG 81 -13.823 -5.542 18.798 620 2HH1 ARG 81 HH12 ARG 81 -14.408 -5.050 20.351 621 1HH2 ARG 81 HH21 ARG 81 -11.267 -5.081 21.880 622 2HH2 ARG 81 HH22 ARG 81 -12.960 -4.787 22.098 623 H HIS 82 HN HIS 82 -7.651 -5.866 13.566 624 HA HIS 82 HA HIS 82 -8.768 -8.060 12.138 625 1HB HIS 82 HB2 HIS 82 -6.982 -5.886 11.648 626 2HB HIS 82 HB1 HIS 82 -6.181 -7.379 11.170 627 HD1 HIS 82 HD1 HIS 82 -6.756 -5.604 8.906 628 HD2 HIS 82 HD2 HIS 82 -9.620 -8.245 10.345 629 HE1 HIS 82 HE1 HIS 82 -8.369 -5.944 7.009 630 HE2 HIS 82 HE2 HIS 82 -10.150 -7.464 7.938 631 H MET 83 HN MET 83 -5.413 -7.543 13.206 632 HA MET 83 HA MET 83 -3.767 -8.988 13.790 633 1HB MET 83 HB2 MET 83 -5.538 -9.040 15.729 634 2HB MET 83 HB1 MET 83 -5.779 -10.695 15.202 635 1HG MET 83 HG2 MET 83 -4.055 -11.291 16.446 636 2HG MET 83 HG1 MET 83 -3.010 -10.357 15.377 637 1HE MET 83 HE1 MET 83 -4.344 -9.524 19.584 638 2HE MET 83 HE2 MET 83 -3.113 -10.714 19.168 639 3HE MET 83 HE3 MET 83 -4.743 -10.865 18.510 640 H ASN 84 HN ASN 84 -5.969 -11.712 13.979 641 HA ASN 84 HA ASN 84 -4.720 -12.796 11.545 642 1HB ASN 84 HB2 ASN 84 -4.801 -13.846 14.187 643 2HB ASN 84 HB1 ASN 84 -5.810 -14.881 13.181 644 1HD2 ASN 84 HD21 ASN 84 -4.702 -16.580 12.562 645 2HD2 ASN 84 HD22 ASN 84 -3.063 -16.588 12.017 646 H VAL 85 HN VAL 85 -7.074 -11.190 11.560 647 HA VAL 85 HA VAL 85 -9.016 -13.163 10.558 648 HB VAL 85 HB VAL 85 -9.740 -10.645 12.065 649 1HG1 VAL 85 HG11 VAL 85 -11.283 -11.559 10.227 650 2HG1 VAL 85 HG12 VAL 85 -11.983 -11.237 11.811 651 3HG1 VAL 85 HG13 VAL 85 -11.592 -12.891 11.340 652 1HG2 VAL 85 HG21 VAL 85 -8.997 -12.012 13.764 653 2HG2 VAL 85 HG22 VAL 85 -9.464 -13.490 12.924 654 3HG2 VAL 85 HG23 VAL 85 -10.697 -12.474 13.668 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 22.297 -14.440 -19.115 2 2H GLY 1 HT2 GLY 1 23.155 -14.784 -20.533 3 3H GLY 1 HT3 GLY 1 23.275 -13.253 -19.822 4 1HA GLY 1 HA1 GLY 1 24.307 -15.818 -18.747 5 2HA GLY 1 HA2 GLY 1 25.258 -14.450 -19.307 6 H SER 2 HN SER 2 24.545 -15.985 -16.620 7 HA SER 2 HA SER 2 24.231 -13.548 -14.999 8 1HB SER 2 HB2 SER 2 23.410 -15.020 -13.200 9 2HB SER 2 HB1 SER 2 22.430 -15.174 -14.659 10 HG SER 2 HG SER 2 23.641 -17.070 -15.150 11 H SER 3 HN SER 3 26.280 -16.244 -15.709 12 HA SER 3 HA SER 3 27.936 -15.833 -13.356 13 1HB SER 3 HB2 SER 3 29.362 -17.633 -14.594 14 2HB SER 3 HB1 SER 3 27.822 -18.105 -13.878 15 HG SER 3 HG SER 3 26.938 -18.274 -15.833 16 H LEU 4 HN LEU 4 28.736 -16.069 -16.827 17 HA LEU 4 HA LEU 4 31.016 -14.328 -16.428 18 1HB LEU 4 HB2 LEU 4 31.271 -14.697 -18.953 19 2HB LEU 4 HB1 LEU 4 31.511 -16.071 -17.890 20 HG LEU 4 HG LEU 4 28.776 -15.717 -18.968 21 1HD1 LEU 4 HD11 LEU 4 29.935 -15.202 -20.969 22 2HD1 LEU 4 HD12 LEU 4 29.476 -16.900 -21.073 23 3HD1 LEU 4 HD13 LEU 4 31.138 -16.458 -20.678 24 1HD2 LEU 4 HD21 LEU 4 28.654 -17.985 -18.714 25 2HD2 LEU 4 HD22 LEU 4 29.865 -17.609 -17.489 26 3HD2 LEU 4 HD23 LEU 4 30.366 -18.229 -19.062 27 H ALA 5 HN ALA 5 29.109 -12.742 -15.750 28 HA ALA 5 HA ALA 5 27.850 -11.364 -17.932 29 1HB ALA 5 HB1 ALA 5 27.871 -9.802 -15.534 30 2HB ALA 5 HB2 ALA 5 27.515 -11.484 -15.140 31 3HB ALA 5 HB3 ALA 5 26.521 -10.625 -16.316 32 H SER 6 HN SER 6 28.433 -9.477 -18.900 33 HA SER 6 HA SER 6 31.156 -8.545 -18.381 34 1HB SER 6 HB2 SER 6 29.900 -9.103 -20.734 35 2HB SER 6 HB1 SER 6 29.656 -7.359 -20.630 36 HG SER 6 HG SER 6 31.763 -7.035 -20.805 37 H GLN 7 HN GLN 7 27.829 -7.398 -18.481 38 HA GLN 7 HA GLN 7 28.455 -4.656 -18.041 39 1HB GLN 7 HB2 GLN 7 25.862 -6.070 -17.411 40 2HB GLN 7 HB1 GLN 7 26.091 -4.349 -17.684 41 1HG GLN 7 HG2 GLN 7 26.987 -5.167 -20.012 42 2HG GLN 7 HG1 GLN 7 26.015 -6.590 -19.635 43 1HE2 GLN 7 HE21 GLN 7 25.550 -4.812 -21.781 44 2HE2 GLN 7 HE22 GLN 7 24.018 -4.058 -21.523 45 H GLY 8 HN GLY 8 28.584 -3.487 -16.179 46 1HA GLY 8 HA2 GLY 8 28.892 -5.035 -13.718 47 2HA GLY 8 HA1 GLY 8 29.438 -3.387 -13.981 48 H GLN 9 HN GLN 9 26.426 -3.371 -15.196 49 HA GLN 9 HA GLN 9 25.310 -2.360 -12.682 50 1HB GLN 9 HB2 GLN 9 23.536 -1.405 -14.274 51 2HB GLN 9 HB1 GLN 9 25.144 -0.699 -14.330 52 1HG GLN 9 HG2 GLN 9 25.444 -1.288 -16.454 53 2HG GLN 9 HG1 GLN 9 24.830 -2.916 -16.181 54 1HE2 GLN 9 HE21 GLN 9 23.098 0.085 -15.590 55 2HE2 GLN 9 HE22 GLN 9 21.883 -0.166 -16.792 56 H ASN 10 HN ASN 10 25.383 -5.070 -12.720 57 HA ASN 10 HA ASN 10 23.121 -6.316 -13.837 58 1HB ASN 10 HB2 ASN 10 25.215 -7.456 -12.984 59 2HB ASN 10 HB1 ASN 10 24.574 -7.239 -11.359 60 1HD2 ASN 10 HD21 ASN 10 23.469 -8.390 -14.528 61 2HD2 ASN 10 HD22 ASN 10 22.646 -9.784 -13.925 62 H LEU 11 HN LEU 11 23.564 -6.222 -10.334 63 HA LEU 11 HA LEU 11 20.923 -6.402 -9.617 64 1HB LEU 11 HB2 LEU 11 21.652 -5.205 -7.484 65 2HB LEU 11 HB1 LEU 11 22.497 -6.682 -7.911 66 HG LEU 11 HG LEU 11 24.068 -4.767 -9.096 67 1HD1 LEU 11 HD11 LEU 11 22.690 -3.589 -6.742 68 2HD1 LEU 11 HD12 LEU 11 23.253 -2.822 -8.226 69 3HD1 LEU 11 HD13 LEU 11 24.407 -3.255 -6.965 70 1HD2 LEU 11 HD21 LEU 11 24.748 -5.365 -6.302 71 2HD2 LEU 11 HD22 LEU 11 25.659 -5.657 -7.784 72 3HD2 LEU 11 HD23 LEU 11 24.381 -6.772 -7.301 73 H SER 12 HN SER 12 22.764 -3.449 -10.301 74 HA SER 12 HA SER 12 20.892 -1.555 -9.511 75 1HB SER 12 HB2 SER 12 23.192 -0.991 -10.191 76 2HB SER 12 HB1 SER 12 22.797 -1.395 -11.862 77 HG SER 12 HG SER 12 21.344 0.549 -10.413 78 H THR 13 HN THR 13 21.026 -3.518 -12.403 79 HA THR 13 HA THR 13 18.799 -2.091 -13.617 80 HB THR 13 HB THR 13 20.318 -4.515 -14.599 81 HG1 THR 13 HG1 THR 13 21.779 -3.131 -15.125 82 1HG2 THR 13 HG21 THR 13 19.401 -4.124 -16.741 83 2HG2 THR 13 HG22 THR 13 18.633 -2.626 -16.213 84 3HG2 THR 13 HG23 THR 13 18.052 -4.176 -15.605 85 H VAL 14 HN VAL 14 19.327 -4.815 -11.608 86 HA VAL 14 HA VAL 14 17.112 -6.402 -12.396 87 HB VAL 14 HB VAL 14 18.460 -6.308 -9.692 88 1HG1 VAL 14 HG11 VAL 14 17.673 -8.851 -10.002 89 2HG1 VAL 14 HG12 VAL 14 16.391 -8.033 -10.896 90 3HG1 VAL 14 HG13 VAL 14 16.690 -7.622 -9.208 91 1HG2 VAL 14 HG21 VAL 14 20.101 -6.727 -11.408 92 2HG2 VAL 14 HG22 VAL 14 19.078 -7.965 -12.134 93 3HG2 VAL 14 HG23 VAL 14 19.777 -8.223 -10.537 94 H LEU 15 HN LEU 15 17.528 -3.976 -9.821 95 HA LEU 15 HA LEU 15 14.931 -4.233 -8.752 96 1HB LEU 15 HB2 LEU 15 17.224 -2.732 -8.191 97 2HB LEU 15 HB1 LEU 15 15.973 -1.546 -8.507 98 HG LEU 15 HG LEU 15 14.776 -3.429 -6.811 99 1HD1 LEU 15 HD11 LEU 15 16.710 -4.429 -6.030 100 2HD1 LEU 15 HD12 LEU 15 16.438 -3.150 -4.847 101 3HD1 LEU 15 HD13 LEU 15 17.643 -2.935 -6.118 102 1HD2 LEU 15 HD21 LEU 15 15.979 -0.842 -5.887 103 2HD2 LEU 15 HD22 LEU 15 14.476 -1.609 -5.378 104 3HD2 LEU 15 HD23 LEU 15 14.595 -0.882 -6.979 105 H ALA 16 HN ALA 16 16.002 -2.884 -11.681 106 HA ALA 16 HA ALA 16 14.166 -0.789 -12.052 107 1HB ALA 16 HB1 ALA 16 15.241 -2.526 -14.255 108 2HB ALA 16 HB2 ALA 16 16.229 -1.323 -13.426 109 3HB ALA 16 HB3 ALA 16 14.794 -0.821 -14.321 110 H ASN 17 HN ASN 17 13.879 -4.257 -12.478 111 HA ASN 17 HA ASN 17 11.325 -4.047 -13.827 112 1HB ASN 17 HB2 ASN 17 13.318 -6.086 -13.432 113 2HB ASN 17 HB1 ASN 17 11.737 -6.705 -12.963 114 1HD2 ASN 17 HD21 ASN 17 13.053 -4.629 -15.529 115 2HD2 ASN 17 HD22 ASN 17 12.250 -5.438 -16.826 116 H LEU 18 HN LEU 18 12.238 -3.659 -10.704 117 HA LEU 18 HA LEU 18 9.859 -4.958 -9.586 118 1HB LEU 18 HB2 LEU 18 12.400 -3.920 -8.365 119 2HB LEU 18 HB1 LEU 18 10.986 -4.247 -7.381 120 HG LEU 18 HG LEU 18 11.034 -6.609 -8.287 121 1HD1 LEU 18 HD11 LEU 18 12.455 -6.108 -10.246 122 2HD1 LEU 18 HD12 LEU 18 13.088 -7.419 -9.250 123 3HD1 LEU 18 HD13 LEU 18 13.808 -5.814 -9.153 124 1HD2 LEU 18 HD21 LEU 18 11.737 -6.400 -6.087 125 2HD2 LEU 18 HD22 LEU 18 13.148 -5.436 -6.524 126 3HD2 LEU 18 HD23 LEU 18 13.122 -7.165 -6.865 127 H THR 19 HN THR 19 8.774 -3.093 -10.872 128 HA THR 19 HA THR 19 8.860 -0.528 -9.542 129 HB THR 19 HB THR 19 7.130 -1.517 -11.816 130 HG1 THR 19 HG1 THR 19 9.329 0.261 -11.870 131 1HG2 THR 19 HG21 THR 19 6.758 0.779 -10.245 132 2HG2 THR 19 HG22 THR 19 5.975 0.362 -11.770 133 3HG2 THR 19 HG23 THR 19 7.461 1.312 -11.771 134 HA PRO 20 HA PRO 20 4.333 -1.740 -8.389 135 1HB PRO 20 HB2 PRO 20 3.646 -4.368 -8.593 136 2HB PRO 20 HB1 PRO 20 3.368 -3.188 -9.879 137 1HG PRO 20 HG2 PRO 20 5.572 -5.190 -9.586 138 2HG PRO 20 HG1 PRO 20 4.651 -4.740 -11.033 139 1HD PRO 20 HD2 PRO 20 7.133 -3.802 -10.549 140 2HD PRO 20 HD1 PRO 20 5.904 -2.842 -11.397 141 H GLU 21 HN GLU 21 6.845 -4.172 -7.874 142 HA GLU 21 HA GLU 21 5.934 -4.962 -5.298 143 1HB GLU 21 HB2 GLU 21 7.356 -6.426 -6.620 144 2HB GLU 21 HB1 GLU 21 8.649 -5.236 -6.599 145 1HG GLU 21 HG2 GLU 21 9.247 -5.710 -4.456 146 2HG GLU 21 HG1 GLU 21 7.617 -6.197 -3.991 147 H GLN 22 HN GLN 22 8.569 -2.808 -6.359 148 HA GLN 22 HA GLN 22 9.324 -2.056 -3.726 149 1HB GLN 22 HB2 GLN 22 9.816 -0.737 -6.398 150 2HB GLN 22 HB1 GLN 22 10.529 -0.183 -4.890 151 1HG GLN 22 HG2 GLN 22 10.917 -2.912 -6.090 152 2HG GLN 22 HG1 GLN 22 12.055 -1.574 -6.215 153 1HE2 GLN 22 HE21 GLN 22 13.137 -3.701 -5.230 154 2HE2 GLN 22 HE22 GLN 22 13.313 -3.640 -3.512 155 H GLN 23 HN GLN 23 7.550 -0.282 -6.251 156 HA GLN 23 HA GLN 23 6.928 2.027 -4.970 157 1HB GLN 23 HB2 GLN 23 6.211 1.269 -7.298 158 2HB GLN 23 HB1 GLN 23 4.832 0.508 -6.515 159 1HG GLN 23 HG2 GLN 23 3.753 2.430 -6.666 160 2HG GLN 23 HG1 GLN 23 4.908 3.124 -5.530 161 1HE2 GLN 23 HE21 GLN 23 4.782 2.251 -8.971 162 2HE2 GLN 23 HE22 GLN 23 5.503 3.711 -9.544 163 H LYS 24 HN LYS 24 5.169 -1.041 -4.615 164 HA LYS 24 HA LYS 24 3.156 -0.172 -2.907 165 1HB LYS 24 HB2 LYS 24 4.519 -2.823 -3.259 166 2HB LYS 24 HB1 LYS 24 3.272 -2.609 -2.039 167 1HG LYS 24 HG2 LYS 24 2.174 -1.534 -4.353 168 2HG LYS 24 HG1 LYS 24 3.019 -2.984 -4.887 169 1HD LYS 24 HD2 LYS 24 1.366 -3.207 -2.441 170 2HD LYS 24 HD1 LYS 24 0.519 -3.042 -3.981 171 1HE LYS 24 HE2 LYS 24 1.431 -5.015 -4.831 172 2HE LYS 24 HE1 LYS 24 2.727 -5.038 -3.635 173 1HZ LYS 24 HZ1 LYS 24 1.045 -6.697 -3.150 174 2HZ LYS 24 HZ2 LYS 24 -0.151 -5.503 -3.071 175 3HZ LYS 24 HZ3 LYS 24 1.094 -5.531 -1.926 176 H ASN 25 HN ASN 25 6.442 -1.255 -2.139 177 HA ASN 25 HA ASN 25 6.209 -1.326 0.642 178 1HB ASN 25 HB2 ASN 25 8.564 -0.741 -1.151 179 2HB ASN 25 HB1 ASN 25 8.714 -0.855 0.599 180 1HD2 ASN 25 HD21 ASN 25 10.204 -2.530 -0.766 181 2HD2 ASN 25 HD22 ASN 25 9.577 -4.137 -0.727 182 H VAL 26 HN VAL 26 7.450 1.337 -1.388 183 HA VAL 26 HA VAL 26 7.791 3.195 0.652 184 HB VAL 26 HB VAL 26 8.518 3.316 -1.815 185 1HG1 VAL 26 HG11 VAL 26 7.040 4.970 -3.092 186 2HG1 VAL 26 HG12 VAL 26 5.749 4.434 -2.021 187 3HG1 VAL 26 HG13 VAL 26 6.567 3.275 -3.066 188 1HG2 VAL 26 HG21 VAL 26 9.051 5.557 -1.565 189 2HG2 VAL 26 HG22 VAL 26 8.787 5.026 0.095 190 3HG2 VAL 26 HG23 VAL 26 7.533 5.930 -0.752 191 H LEU 27 HN LEU 27 4.950 2.468 -1.291 192 HA LEU 27 HA LEU 27 3.259 4.525 -0.688 193 1HB LEU 27 HB2 LEU 27 2.650 1.580 -0.871 194 2HB LEU 27 HB1 LEU 27 1.402 2.802 -0.740 195 HG LEU 27 HG LEU 27 3.334 2.404 -3.011 196 1HD1 LEU 27 HD11 LEU 27 0.371 2.113 -2.680 197 2HD1 LEU 27 HD12 LEU 27 1.542 0.917 -3.233 198 3HD1 LEU 27 HD13 LEU 27 1.128 2.287 -4.263 199 1HD2 LEU 27 HD21 LEU 27 1.675 4.338 -3.884 200 2HD2 LEU 27 HD22 LEU 27 3.266 4.648 -3.188 201 3HD2 LEU 27 HD23 LEU 27 1.823 4.788 -2.186 202 H GLY 28 HN GLY 28 3.750 1.605 1.300 203 1HA GLY 28 HA2 GLY 28 1.999 2.311 3.377 204 2HA GLY 28 HA1 GLY 28 3.352 1.198 3.520 205 H GLU 29 HN GLU 29 5.541 2.760 3.192 206 HA GLU 29 HA GLU 29 5.869 3.969 5.680 207 1HB GLU 29 HB2 GLU 29 7.393 4.392 3.103 208 2HB GLU 29 HB1 GLU 29 7.914 5.018 4.662 209 1HG GLU 29 HG2 GLU 29 7.343 2.113 4.439 210 2HG GLU 29 HG1 GLU 29 8.817 2.737 3.698 211 H ARG 30 HN ARG 30 5.461 5.543 2.513 212 HA ARG 30 HA ARG 30 5.249 8.164 3.542 213 1HB ARG 30 HB2 ARG 30 4.045 7.157 0.957 214 2HB ARG 30 HB1 ARG 30 4.517 8.808 1.344 215 1HG ARG 30 HG2 ARG 30 6.466 6.521 1.188 216 2HG ARG 30 HG1 ARG 30 6.076 7.573 -0.173 217 1HD ARG 30 HD2 ARG 30 6.699 9.502 1.406 218 2HD ARG 30 HD1 ARG 30 7.449 8.259 2.406 219 HE ARG 30 HE ARG 30 9.192 8.254 0.946 220 1HH1 ARG 30 HH11 ARG 30 6.378 9.444 -0.744 221 2HH1 ARG 30 HH12 ARG 30 7.236 9.733 -2.222 222 1HH2 ARG 30 HH21 ARG 30 10.317 8.633 -0.994 223 2HH2 ARG 30 HH22 ARG 30 9.471 9.272 -2.364 224 H LEU 31 HN LEU 31 3.046 5.545 3.420 225 HA LEU 31 HA LEU 31 0.602 6.961 3.379 226 1HB LEU 31 HB2 LEU 31 1.446 4.302 3.420 227 2HB LEU 31 HB1 LEU 31 0.495 4.495 4.873 228 HG LEU 31 HG LEU 31 -1.018 5.695 2.890 229 1HD1 LEU 31 HD11 LEU 31 -1.208 3.940 1.176 230 2HD1 LEU 31 HD12 LEU 31 0.214 3.156 1.861 231 3HD1 LEU 31 HD13 LEU 31 0.350 4.766 1.152 232 1HD2 LEU 31 HD21 LEU 31 -1.436 4.010 4.899 233 2HD2 LEU 31 HD22 LEU 31 -1.504 2.854 3.570 234 3HD2 LEU 31 HD23 LEU 31 -2.606 4.233 3.600 235 H TYR 32 HN TYR 32 2.201 5.284 6.051 236 HA TYR 32 HA TYR 32 0.625 6.060 8.143 237 1HB TYR 32 HB2 TYR 32 2.680 4.483 8.022 238 2HB TYR 32 HB1 TYR 32 3.630 5.917 8.389 239 HD1 TYR 32 HD1 TYR 32 3.153 7.138 10.567 240 HD2 TYR 32 HD2 TYR 32 1.637 3.254 9.723 241 HE1 TYR 32 HE1 TYR 32 2.796 6.759 12.971 242 HE2 TYR 32 HE2 TYR 32 1.268 2.867 12.121 243 HH TYR 32 HH TYR 32 2.657 4.458 14.472 244 H ASN 33 HN ASN 33 3.099 7.950 6.528 245 HA ASN 33 HA ASN 33 3.307 10.014 8.460 246 1HB ASN 33 HB2 ASN 33 5.081 9.837 6.907 247 2HB ASN 33 HB1 ASN 33 3.983 9.798 5.534 248 1HD2 ASN 33 HD21 ASN 33 2.665 11.831 5.228 249 2HD2 ASN 33 HD22 ASN 33 3.498 13.328 5.472 250 H HIS 34 HN HIS 34 1.263 9.592 5.623 251 HA HIS 34 HA HIS 34 0.203 12.188 5.592 252 1HB HIS 34 HB2 HIS 34 -1.413 11.366 4.092 253 2HB HIS 34 HB1 HIS 34 0.027 10.416 3.769 254 HD1 HIS 34 HD1 HIS 34 -0.713 8.094 3.227 255 HD2 HIS 34 HD2 HIS 34 -2.990 9.787 6.235 256 HE1 HIS 34 HE1 HIS 34 -2.329 6.293 3.954 257 HE2 HIS 34 HE2 HIS 34 -3.684 7.351 5.784 258 H ILE 35 HN ILE 35 -0.782 9.264 7.200 259 HA ILE 35 HA ILE 35 -3.044 10.598 8.459 260 HB ILE 35 HB ILE 35 -3.604 8.482 7.572 261 1HG1 ILE 35 HG12 ILE 35 -3.334 7.630 10.397 262 2HG1 ILE 35 HG11 ILE 35 -4.175 9.145 10.101 263 1HG2 ILE 35 HG21 ILE 35 -2.479 6.413 8.159 264 2HG2 ILE 35 HG22 ILE 35 -1.339 7.305 9.166 265 3HG2 ILE 35 HG23 ILE 35 -1.356 7.548 7.419 266 1HD1 ILE 35 HD11 ILE 35 -6.004 8.058 9.522 267 2HD1 ILE 35 HD12 ILE 35 -5.195 6.550 9.933 268 3HD1 ILE 35 HD13 ILE 35 -5.127 7.164 8.283 269 H VAL 36 HN VAL 36 0.122 9.360 9.420 270 HA VAL 36 HA VAL 36 -0.284 8.988 12.121 271 HB VAL 36 HB VAL 36 1.890 8.542 11.095 272 1HG1 VAL 36 HG11 VAL 36 3.432 10.238 10.483 273 2HG1 VAL 36 HG12 VAL 36 2.393 11.508 11.131 274 3HG1 VAL 36 HG13 VAL 36 1.907 10.621 9.687 275 1HG2 VAL 36 HG21 VAL 36 3.316 9.703 12.899 276 2HG2 VAL 36 HG22 VAL 36 2.033 8.608 13.416 277 3HG2 VAL 36 HG23 VAL 36 1.783 10.353 13.479 278 H ALA 37 HN ALA 37 0.475 12.043 10.475 279 HA ALA 37 HA ALA 37 0.269 13.618 12.852 280 1HB ALA 37 HB1 ALA 37 0.655 14.145 9.959 281 2HB ALA 37 HB2 ALA 37 1.592 14.699 11.347 282 3HB ALA 37 HB3 ALA 37 0.052 15.466 10.959 283 H ILE 38 HN ILE 38 -1.932 12.535 10.389 284 HA ILE 38 HA ILE 38 -4.007 14.419 11.173 285 HB ILE 38 HB ILE 38 -4.257 12.087 9.279 286 1HG1 ILE 38 HG12 ILE 38 -2.508 13.481 8.444 287 2HG1 ILE 38 HG11 ILE 38 -3.953 13.874 7.518 288 1HG2 ILE 38 HG21 ILE 38 -5.921 14.294 8.624 289 2HG2 ILE 38 HG22 ILE 38 -6.148 13.925 10.332 290 3HG2 ILE 38 HG23 ILE 38 -6.393 12.670 9.117 291 1HD1 ILE 38 HD11 ILE 38 -2.313 15.538 9.229 292 2HD1 ILE 38 HD12 ILE 38 -4.030 15.652 9.613 293 3HD1 ILE 38 HD13 ILE 38 -3.469 15.993 7.975 294 H ASN 39 HN ASN 39 -4.031 10.858 10.906 295 HA ASN 39 HA ASN 39 -5.721 10.798 13.319 296 1HB ASN 39 HB2 ASN 39 -6.543 10.065 10.823 297 2HB ASN 39 HB1 ASN 39 -5.974 8.529 11.459 298 1HD2 ASN 39 HD21 ASN 39 -6.766 8.035 13.714 299 2HD2 ASN 39 HD22 ASN 39 -8.423 8.392 14.048 300 HA PRO 40 HA PRO 40 -1.734 8.627 14.321 301 1HB PRO 40 HB2 PRO 40 -2.925 9.222 16.990 302 2HB PRO 40 HB1 PRO 40 -1.253 9.390 16.441 303 1HG PRO 40 HG2 PRO 40 -2.802 11.533 16.715 304 2HG PRO 40 HG1 PRO 40 -1.674 11.399 15.354 305 1HD PRO 40 HD2 PRO 40 -4.639 11.048 15.403 306 2HD PRO 40 HD1 PRO 40 -3.604 11.747 14.141 307 H ALA 41 HN ALA 41 -4.953 8.252 15.785 308 HA ALA 41 HA ALA 41 -4.389 5.491 16.483 309 1HB ALA 41 HB1 ALA 41 -6.940 5.692 17.144 310 2HB ALA 41 HB2 ALA 41 -6.575 7.416 17.067 311 3HB ALA 41 HB3 ALA 41 -5.664 6.369 18.154 312 H ALA 42 HN ALA 42 -4.137 5.729 13.810 313 HA ALA 42 HA ALA 42 -6.150 3.919 12.862 314 1HB ALA 42 HB1 ALA 42 -6.589 5.396 10.808 315 2HB ALA 42 HB2 ALA 42 -6.037 6.724 11.827 316 3HB ALA 42 HB3 ALA 42 -7.440 5.773 12.306 317 H ALA 43 HN ALA 43 -3.441 6.047 12.015 318 HA ALA 43 HA ALA 43 -2.461 5.126 9.704 319 1HB ALA 43 HB1 ALA 43 -0.452 5.165 11.887 320 2HB ALA 43 HB2 ALA 43 -1.397 6.632 11.624 321 3HB ALA 43 HB3 ALA 43 -0.434 5.959 10.311 322 H ALA 44 HN ALA 44 -1.847 3.490 12.809 323 HA ALA 44 HA ALA 44 -0.407 1.335 11.918 324 1HB ALA 44 HB1 ALA 44 -0.485 1.355 14.188 325 2HB ALA 44 HB2 ALA 44 -1.737 0.148 13.892 326 3HB ALA 44 HB3 ALA 44 -2.185 1.819 14.231 327 H LYS 45 HN LYS 45 -3.921 1.693 12.020 328 HA LYS 45 HA LYS 45 -4.380 -0.939 10.937 329 1HB LYS 45 HB2 LYS 45 -6.073 1.335 11.839 330 2HB LYS 45 HB1 LYS 45 -6.779 0.199 10.700 331 1HG LYS 45 HG2 LYS 45 -5.413 -0.946 13.058 332 2HG LYS 45 HG1 LYS 45 -6.940 -0.109 13.334 333 1HD LYS 45 HD2 LYS 45 -8.023 -1.533 11.663 334 2HD LYS 45 HD1 LYS 45 -6.493 -2.368 11.385 335 1HE LYS 45 HE2 LYS 45 -7.365 -2.254 14.191 336 2HE LYS 45 HE1 LYS 45 -8.408 -3.192 13.123 337 1HZ LYS 45 HZ1 LYS 45 -6.860 -4.725 13.862 338 2HZ LYS 45 HZ2 LYS 45 -5.569 -3.635 13.787 339 3HZ LYS 45 HZ3 LYS 45 -6.225 -4.267 12.363 340 H VAL 46 HN VAL 46 -4.595 2.391 9.787 341 HA VAL 46 HA VAL 46 -5.625 1.871 7.236 342 HB VAL 46 HB VAL 46 -3.739 4.117 7.932 343 1HG1 VAL 46 HG11 VAL 46 -4.903 3.461 5.542 344 2HG1 VAL 46 HG12 VAL 46 -4.332 5.067 6.000 345 3HG1 VAL 46 HG13 VAL 46 -6.027 4.639 6.212 346 1HG2 VAL 46 HG21 VAL 46 -5.202 4.829 9.434 347 2HG2 VAL 46 HG22 VAL 46 -6.292 3.497 9.071 348 3HG2 VAL 46 HG23 VAL 46 -6.397 4.995 8.150 349 H THR 47 HN THR 47 -2.271 2.526 8.188 350 HA THR 47 HA THR 47 -1.141 2.080 5.669 351 HB THR 47 HB THR 47 0.169 1.697 8.368 352 HG1 THR 47 HG1 THR 47 0.426 3.828 8.416 353 1HG2 THR 47 HG21 THR 47 1.674 2.841 6.124 354 2HG2 THR 47 HG22 THR 47 1.308 1.121 6.000 355 3HG2 THR 47 HG23 THR 47 2.188 1.738 7.399 356 H GLY 48 HN GLY 48 -1.480 -0.144 8.424 357 1HA GLY 48 HA2 GLY 48 -0.236 -2.334 7.108 358 2HA GLY 48 HA1 GLY 48 -1.207 -2.423 8.571 359 H MET 49 HN MET 49 -3.663 -1.734 7.893 360 HA MET 49 HA MET 49 -4.581 -3.971 6.404 361 1HB MET 49 HB2 MET 49 -6.143 -1.514 7.219 362 2HB MET 49 HB1 MET 49 -6.814 -3.065 6.743 363 1HG MET 49 HG2 MET 49 -5.136 -2.553 9.187 364 2HG MET 49 HG1 MET 49 -6.887 -2.744 9.153 365 1HE MET 49 HE1 MET 49 -3.838 -4.121 10.048 366 2HE MET 49 HE2 MET 49 -3.414 -4.861 8.504 367 3HE MET 49 HE3 MET 49 -3.895 -5.873 9.866 368 H LEU 50 HN LEU 50 -4.630 -0.482 5.789 369 HA LEU 50 HA LEU 50 -5.466 0.600 3.877 370 1HB LEU 50 HB2 LEU 50 -3.033 0.808 3.987 371 2HB LEU 50 HB1 LEU 50 -2.860 -0.656 3.040 372 HG LEU 50 HG LEU 50 -4.086 0.502 1.177 373 1HD1 LEU 50 HD11 LEU 50 -3.526 3.024 2.694 374 2HD1 LEU 50 HD12 LEU 50 -5.092 2.223 2.745 375 3HD1 LEU 50 HD13 LEU 50 -4.457 2.821 1.214 376 1HD2 LEU 50 HD21 LEU 50 -1.482 0.416 1.688 377 2HD2 LEU 50 HD22 LEU 50 -1.709 2.160 1.768 378 3HD2 LEU 50 HD23 LEU 50 -2.143 1.285 0.303 379 H LEU 51 HN LEU 51 -3.926 -2.322 2.480 380 HA LEU 51 HA LEU 51 -5.656 -2.318 0.246 381 1HB LEU 51 HB2 LEU 51 -3.707 -4.319 1.344 382 2HB LEU 51 HB1 LEU 51 -4.665 -4.651 -0.085 383 HG LEU 51 HG LEU 51 -3.496 -2.148 -0.562 384 1HD1 LEU 51 HD11 LEU 51 -1.037 -2.945 -0.375 385 2HD1 LEU 51 HD12 LEU 51 -1.659 -3.993 0.901 386 3HD1 LEU 51 HD13 LEU 51 -1.833 -2.243 1.034 387 1HD2 LEU 51 HD21 LEU 51 -2.149 -4.513 -1.675 388 2HD2 LEU 51 HD22 LEU 51 -2.879 -3.131 -2.490 389 3HD2 LEU 51 HD23 LEU 51 -3.895 -4.451 -1.910 390 H GLU 52 HN GLU 52 -7.606 -2.138 1.786 391 HA GLU 52 HA GLU 52 -8.525 -4.668 2.855 392 1HB GLU 52 HB2 GLU 52 -9.718 -1.903 2.724 393 2HB GLU 52 HB1 GLU 52 -10.642 -3.286 3.288 394 1HG GLU 52 HG2 GLU 52 -8.040 -2.395 4.503 395 2HG GLU 52 HG1 GLU 52 -9.627 -1.897 5.082 396 H MET 53 HN MET 53 -10.946 -5.158 2.301 397 HA MET 53 HA MET 53 -11.008 -5.963 -0.401 398 1HB MET 53 HB2 MET 53 -13.152 -5.889 1.715 399 2HB MET 53 HB1 MET 53 -13.397 -6.590 0.122 400 1HG MET 53 HG2 MET 53 -11.242 -7.474 2.021 401 2HG MET 53 HG1 MET 53 -12.839 -8.217 1.930 402 1HE MET 53 HE1 MET 53 -13.844 -9.191 0.161 403 2HE MET 53 HE2 MET 53 -12.898 -10.671 -0.001 404 3HE MET 53 HE3 MET 53 -13.182 -9.648 -1.409 405 H ASP 54 HN ASP 54 -13.209 -3.686 1.265 406 HA ASP 54 HA ASP 54 -13.956 -2.581 -1.328 407 1HB ASP 54 HB2 ASP 54 -15.786 -3.046 0.144 408 2HB ASP 54 HB1 ASP 54 -15.041 -2.144 1.457 409 H ASN 55 HN ASN 55 -13.510 -0.911 1.768 410 HA ASN 55 HA ASN 55 -12.787 1.534 0.833 411 1HB ASN 55 HB2 ASN 55 -13.077 0.668 3.270 412 2HB ASN 55 HB1 ASN 55 -11.338 0.402 3.204 413 1HD2 ASN 55 HD21 ASN 55 -10.001 2.230 2.642 414 2HD2 ASN 55 HD22 ASN 55 -10.493 3.812 3.126 415 H GLY 56 HN GLY 56 -10.830 -1.344 0.917 416 1HA GLY 56 HA2 GLY 56 -8.304 -0.117 0.560 417 2HA GLY 56 HA1 GLY 56 -8.703 -1.788 0.196 418 H GLU 57 HN GLU 57 -10.427 -1.753 -1.839 419 HA GLU 57 HA GLU 57 -9.013 -1.479 -4.107 420 1HB GLU 57 HB2 GLU 57 -11.927 -0.733 -3.874 421 2HB GLU 57 HB1 GLU 57 -11.090 -1.184 -5.353 422 1HG GLU 57 HG2 GLU 57 -11.071 -3.050 -3.044 423 2HG GLU 57 HG1 GLU 57 -12.512 -2.935 -4.053 424 H ILE 58 HN ILE 58 -10.969 1.169 -2.745 425 HA ILE 58 HA ILE 58 -10.467 3.106 -4.658 426 HB ILE 58 HB ILE 58 -10.910 3.330 -1.689 427 1HG1 ILE 58 HG12 ILE 58 -12.653 4.068 -4.046 428 2HG1 ILE 58 HG11 ILE 58 -12.769 2.557 -3.148 429 1HG2 ILE 58 HG21 ILE 58 -10.603 5.576 -3.677 430 2HG2 ILE 58 HG22 ILE 58 -9.628 5.278 -2.238 431 3HG2 ILE 58 HG23 ILE 58 -11.316 5.763 -2.075 432 1HD1 ILE 58 HD11 ILE 58 -13.697 5.253 -2.448 433 2HD1 ILE 58 HD12 ILE 58 -12.981 4.322 -1.132 434 3HD1 ILE 58 HD13 ILE 58 -14.357 3.674 -2.025 435 H LEU 59 HN LEU 59 -8.602 2.305 -1.764 436 HA LEU 59 HA LEU 59 -6.687 4.171 -1.663 437 1HB LEU 59 HB2 LEU 59 -5.429 2.716 -0.441 438 2HB LEU 59 HB1 LEU 59 -6.988 1.921 -0.383 439 HG LEU 59 HG LEU 59 -6.075 0.640 -2.496 440 1HD1 LEU 59 HD11 LEU 59 -3.942 0.977 -3.009 441 2HD1 LEU 59 HD12 LEU 59 -3.466 0.460 -1.391 442 3HD1 LEU 59 HD13 LEU 59 -3.802 2.162 -1.711 443 1HD2 LEU 59 HD21 LEU 59 -6.502 -0.848 -0.889 444 2HD2 LEU 59 HD22 LEU 59 -5.889 0.207 0.385 445 3HD2 LEU 59 HD23 LEU 59 -4.772 -0.772 -0.559 446 H ASN 60 HN ASN 60 -6.932 1.706 -4.115 447 HA ASN 60 HA ASN 60 -4.455 1.650 -5.251 448 1HB ASN 60 HB2 ASN 60 -6.555 0.452 -6.027 449 2HB ASN 60 HB1 ASN 60 -6.963 1.922 -6.908 450 1HD2 ASN 60 HD21 ASN 60 -6.878 0.658 -8.825 451 2HD2 ASN 60 HD22 ASN 60 -5.361 0.279 -9.560 452 H LEU 61 HN LEU 61 -6.591 4.370 -5.126 453 HA LEU 61 HA LEU 61 -4.825 5.863 -6.947 454 1HB LEU 61 HB2 LEU 61 -7.610 6.656 -6.146 455 2HB LEU 61 HB1 LEU 61 -6.651 7.285 -7.472 456 HG LEU 61 HG LEU 61 -6.958 4.491 -7.875 457 1HD1 LEU 61 HD11 LEU 61 -9.158 5.527 -6.446 458 2HD1 LEU 61 HD12 LEU 61 -9.005 3.952 -7.226 459 3HD1 LEU 61 HD13 LEU 61 -9.678 5.316 -8.118 460 1HD2 LEU 61 HD21 LEU 61 -7.529 5.135 -9.984 461 2HD2 LEU 61 HD22 LEU 61 -6.772 6.626 -9.422 462 3HD2 LEU 61 HD23 LEU 61 -8.528 6.478 -9.423 463 H LEU 62 HN LEU 62 -3.731 5.653 -4.545 464 HA LEU 62 HA LEU 62 -4.224 6.979 -2.336 465 1HB LEU 62 HB2 LEU 62 -1.726 7.212 -3.986 466 2HB LEU 62 HB1 LEU 62 -1.838 7.876 -2.366 467 HG LEU 62 HG LEU 62 -2.572 5.028 -2.711 468 1HD1 LEU 62 HD11 LEU 62 -0.616 5.126 -4.105 469 2HD1 LEU 62 HD12 LEU 62 -0.203 4.348 -2.576 470 3HD1 LEU 62 HD13 LEU 62 0.265 6.024 -2.867 471 1HD2 LEU 62 HD21 LEU 62 -1.343 4.881 -0.554 472 2HD2 LEU 62 HD22 LEU 62 -2.711 5.993 -0.522 473 3HD2 LEU 62 HD23 LEU 62 -1.065 6.620 -0.646 474 H ASP 63 HN ASP 63 -5.704 8.607 -2.398 475 HA ASP 63 HA ASP 63 -4.862 11.152 -3.636 476 1HB ASP 63 HB2 ASP 63 -7.473 9.774 -3.447 477 2HB ASP 63 HB1 ASP 63 -7.511 11.516 -3.202 478 H THR 64 HN THR 64 -5.687 13.138 -2.497 479 HA THR 64 HA THR 64 -4.960 12.998 0.267 480 HB THR 64 HB THR 64 -6.279 15.432 -0.823 481 HG1 THR 64 HG1 THR 64 -4.784 15.815 -2.266 482 1HG2 THR 64 HG21 THR 64 -3.601 15.393 0.451 483 2HG2 THR 64 HG22 THR 64 -5.026 15.104 1.452 484 3HG2 THR 64 HG23 THR 64 -4.881 16.602 0.536 485 HA PRO 65 HA PRO 65 -9.572 13.977 1.043 486 1HB PRO 65 HB2 PRO 65 -11.329 13.721 -1.022 487 2HB PRO 65 HB1 PRO 65 -10.527 15.238 -0.603 488 1HG PRO 65 HG2 PRO 65 -9.960 13.344 -2.815 489 2HG PRO 65 HG1 PRO 65 -9.765 15.102 -2.757 490 1HD PRO 65 HD2 PRO 65 -7.716 13.247 -2.505 491 2HD PRO 65 HD1 PRO 65 -7.636 14.940 -1.997 492 H GLY 66 HN GLY 66 -10.025 11.795 -1.745 493 1HA GLY 66 HA2 GLY 66 -11.666 9.947 -0.606 494 2HA GLY 66 HA1 GLY 66 -10.486 9.542 -1.840 495 H LEU 67 HN LEU 67 -8.120 9.461 -0.790 496 HA LEU 67 HA LEU 67 -8.051 7.185 0.793 497 1HB LEU 67 HB2 LEU 67 -6.239 8.773 -0.552 498 2HB LEU 67 HB1 LEU 67 -5.732 8.930 1.114 499 HG LEU 67 HG LEU 67 -4.735 7.089 -0.460 500 1HD1 LEU 67 HD11 LEU 67 -5.149 7.300 2.387 501 2HD1 LEU 67 HD12 LEU 67 -3.726 6.776 1.486 502 3HD1 LEU 67 HD13 LEU 67 -4.999 5.620 1.878 503 1HD2 LEU 67 HD21 LEU 67 -7.004 5.526 0.725 504 2HD2 LEU 67 HD22 LEU 67 -5.811 5.014 -0.468 505 3HD2 LEU 67 HD23 LEU 67 -7.061 6.178 -0.914 506 H LEU 68 HN LEU 68 -6.868 10.361 1.882 507 HA LEU 68 HA LEU 68 -6.694 9.819 4.555 508 1HB LEU 68 HB2 LEU 68 -6.581 12.102 2.924 509 2HB LEU 68 HB1 LEU 68 -7.655 12.501 4.248 510 HG LEU 68 HG LEU 68 -5.754 11.561 5.749 511 1HD1 LEU 68 HD11 LEU 68 -3.529 12.214 4.515 512 2HD1 LEU 68 HD12 LEU 68 -4.457 11.787 3.080 513 3HD1 LEU 68 HD13 LEU 68 -4.213 10.597 4.356 514 1HD2 LEU 68 HD21 LEU 68 -5.613 14.180 4.269 515 2HD2 LEU 68 HD22 LEU 68 -4.610 13.792 5.667 516 3HD2 LEU 68 HD23 LEU 68 -6.366 13.862 5.831 517 H ASP 69 HN ASP 69 -9.616 10.342 2.739 518 HA ASP 69 HA ASP 69 -11.192 10.753 5.145 519 1HB ASP 69 HB2 ASP 69 -11.626 11.740 2.746 520 2HB ASP 69 HB1 ASP 69 -12.443 10.201 2.482 521 H ALA 70 HN ALA 70 -11.251 8.354 2.493 522 HA ALA 70 HA ALA 70 -12.871 6.506 3.873 523 1HB ALA 70 HB1 ALA 70 -12.747 5.279 1.993 524 2HB ALA 70 HB2 ALA 70 -10.986 5.360 1.936 525 3HB ALA 70 HB3 ALA 70 -11.950 6.703 1.321 526 H LYS 71 HN LYS 71 -9.582 7.333 4.236 527 HA LYS 71 HA LYS 71 -8.709 4.800 5.301 528 1HB LYS 71 HB2 LYS 71 -7.501 7.524 4.999 529 2HB LYS 71 HB1 LYS 71 -6.712 6.325 6.006 530 1HG LYS 71 HG2 LYS 71 -7.144 6.282 3.039 531 2HG LYS 71 HG1 LYS 71 -5.637 6.160 3.942 532 1HD LYS 71 HD2 LYS 71 -5.810 3.957 3.587 533 2HD LYS 71 HD1 LYS 71 -7.045 3.986 4.844 534 1HE LYS 71 HE2 LYS 71 -8.661 3.515 3.403 535 2HE LYS 71 HE1 LYS 71 -8.114 4.741 2.263 536 1HZ LYS 71 HZ1 LYS 71 -6.458 3.173 1.444 537 2HZ LYS 71 HZ2 LYS 71 -8.021 2.543 1.287 538 3HZ LYS 71 HZ3 LYS 71 -7.012 1.995 2.527 539 H VAL 72 HN VAL 72 -9.117 8.076 6.674 540 HA VAL 72 HA VAL 72 -8.663 7.374 9.348 541 HB VAL 72 HB VAL 72 -9.935 9.453 9.924 542 1HG1 VAL 72 HG11 VAL 72 -7.468 9.293 9.220 543 2HG1 VAL 72 HG12 VAL 72 -8.232 10.882 9.260 544 3HG1 VAL 72 HG13 VAL 72 -8.000 10.054 7.721 545 1HG2 VAL 72 HG21 VAL 72 -10.530 10.937 7.980 546 2HG2 VAL 72 HG22 VAL 72 -11.585 9.546 8.221 547 3HG2 VAL 72 HG23 VAL 72 -10.372 9.518 6.945 548 H GLN 73 HN GLN 73 -11.680 7.578 7.527 549 HA GLN 73 HA GLN 73 -13.365 6.992 9.727 550 1HB GLN 73 HB2 GLN 73 -13.977 6.528 6.813 551 2HB GLN 73 HB1 GLN 73 -15.122 6.835 8.113 552 1HG GLN 73 HG2 GLN 73 -13.049 8.809 7.178 553 2HG GLN 73 HG1 GLN 73 -14.719 8.770 6.608 554 1HE2 GLN 73 HE21 GLN 73 -12.782 8.996 9.563 555 2HE2 GLN 73 HE22 GLN 73 -13.879 10.030 10.412 556 H GLU 74 HN GLU 74 -12.110 4.976 7.073 557 HA GLU 74 HA GLU 74 -13.410 2.616 7.869 558 1HB GLU 74 HB2 GLU 74 -12.483 2.920 5.638 559 2HB GLU 74 HB1 GLU 74 -10.856 2.941 6.298 560 1HG GLU 74 HG2 GLU 74 -12.189 0.577 7.171 561 2HG GLU 74 HG1 GLU 74 -12.359 0.729 5.424 562 H ALA 75 HN ALA 75 -10.453 4.119 8.952 563 HA ALA 75 HA ALA 75 -9.554 1.746 10.351 564 1HB ALA 75 HB1 ALA 75 -8.266 3.975 9.384 565 2HB ALA 75 HB2 ALA 75 -7.574 2.768 10.465 566 3HB ALA 75 HB3 ALA 75 -8.278 4.243 11.124 567 H LEU 76 HN LEU 76 -10.830 4.946 11.213 568 HA LEU 76 HA LEU 76 -10.854 4.459 14.008 569 1HB LEU 76 HB2 LEU 76 -11.906 6.532 12.180 570 2HB LEU 76 HB1 LEU 76 -12.709 6.392 13.727 571 HG LEU 76 HG LEU 76 -9.789 6.975 13.262 572 1HD1 LEU 76 HD11 LEU 76 -10.490 9.051 14.595 573 2HD1 LEU 76 HD12 LEU 76 -12.139 8.599 14.166 574 3HD1 LEU 76 HD13 LEU 76 -10.964 8.955 12.899 575 1HD2 LEU 76 HD21 LEU 76 -9.796 5.658 15.197 576 2HD2 LEU 76 HD22 LEU 76 -11.313 6.349 15.770 577 3HD2 LEU 76 HD23 LEU 76 -9.840 7.316 15.794 578 H GLU 77 HN GLU 77 -13.127 3.877 11.417 579 HA GLU 77 HA GLU 77 -15.405 3.386 13.031 580 1HB GLU 77 HB2 GLU 77 -15.537 3.851 10.605 581 2HB GLU 77 HB1 GLU 77 -14.756 2.309 10.278 582 1HG GLU 77 HG2 GLU 77 -16.630 1.118 11.237 583 2HG GLU 77 HG1 GLU 77 -17.404 2.642 11.671 584 H VAL 78 HN VAL 78 -13.029 1.223 11.520 585 HA VAL 78 HA VAL 78 -14.139 -1.106 12.784 586 HB VAL 78 HB VAL 78 -12.934 -1.025 10.529 587 1HG1 VAL 78 HG11 VAL 78 -10.529 -1.360 10.554 588 2HG1 VAL 78 HG12 VAL 78 -10.505 -1.173 12.307 589 3HG1 VAL 78 HG13 VAL 78 -10.944 0.191 11.279 590 1HG2 VAL 78 HG21 VAL 78 -12.240 -3.099 12.595 591 2HG2 VAL 78 HG22 VAL 78 -12.001 -3.299 10.859 592 3HG2 VAL 78 HG23 VAL 78 -13.628 -3.095 11.507 593 H LEU 79 HN LEU 79 -11.212 0.867 13.226 594 HA LEU 79 HA LEU 79 -9.715 1.005 14.948 595 1HB LEU 79 HB2 LEU 79 -12.362 0.841 16.067 596 2HB LEU 79 HB1 LEU 79 -11.207 0.098 17.156 597 HG LEU 79 HG LEU 79 -11.039 2.917 16.088 598 1HD1 LEU 79 HD11 LEU 79 -11.427 2.250 18.959 599 2HD1 LEU 79 HD12 LEU 79 -12.817 2.146 17.880 600 3HD1 LEU 79 HD13 LEU 79 -11.941 3.668 18.045 601 1HD2 LEU 79 HD21 LEU 79 -9.413 1.854 18.354 602 2HD2 LEU 79 HD22 LEU 79 -9.080 3.197 17.261 603 3HD2 LEU 79 HD23 LEU 79 -8.897 1.536 16.696 604 H ASN 80 HN ASN 80 -9.265 -0.391 17.237 605 HA ASN 80 HA ASN 80 -8.011 -2.739 16.309 606 1HB ASN 80 HB2 ASN 80 -7.617 -1.181 18.445 607 2HB ASN 80 HB1 ASN 80 -8.582 -2.434 19.217 608 1HD2 ASN 80 HD21 ASN 80 -7.694 -4.636 17.721 609 2HD2 ASN 80 HD22 ASN 80 -6.044 -4.935 18.127 610 H ARG 81 HN ARG 81 -11.267 -2.240 16.957 611 HA ARG 81 HA ARG 81 -11.979 -4.639 18.243 612 1HB ARG 81 HB2 ARG 81 -13.595 -2.953 16.323 613 2HB ARG 81 HB1 ARG 81 -14.245 -4.179 17.403 614 1HG ARG 81 HG2 ARG 81 -12.685 -1.867 18.484 615 2HG ARG 81 HG1 ARG 81 -14.398 -1.702 18.087 616 1HD ARG 81 HD2 ARG 81 -14.642 -3.870 19.522 617 2HD ARG 81 HD1 ARG 81 -13.082 -3.380 20.181 618 HE ARG 81 HE ARG 81 -14.093 -1.444 21.076 619 1HH1 ARG 81 HH11 ARG 81 -16.407 -3.555 19.521 620 2HH1 ARG 81 HH12 ARG 81 -17.768 -2.859 20.333 621 1HH2 ARG 81 HH21 ARG 81 -15.884 -0.534 22.136 622 2HH2 ARG 81 HH22 ARG 81 -17.472 -1.147 21.813 623 H HIS 82 HN HIS 82 -10.107 -4.922 15.917 624 HA HIS 82 HA HIS 82 -11.497 -6.273 13.835 625 1HB HIS 82 HB2 HIS 82 -8.897 -5.282 14.275 626 2HB HIS 82 HB1 HIS 82 -8.711 -7.021 14.050 627 HD1 HIS 82 HD1 HIS 82 -8.030 -7.371 11.693 628 HD2 HIS 82 HD2 HIS 82 -11.001 -4.497 12.042 629 HE1 HIS 82 HE1 HIS 82 -8.608 -6.714 9.336 630 HE2 HIS 82 HE2 HIS 82 -10.339 -4.897 9.577 631 H MET 83 HN MET 83 -12.176 -8.313 13.783 632 HA MET 83 HA MET 83 -10.891 -10.310 15.489 633 1HB MET 83 HB2 MET 83 -13.589 -9.252 15.837 634 2HB MET 83 HB1 MET 83 -13.569 -11.001 15.655 635 1HG MET 83 HG2 MET 83 -11.498 -10.151 17.458 636 2HG MET 83 HG1 MET 83 -13.063 -9.521 17.965 637 1HE MET 83 HE1 MET 83 -15.221 -11.258 17.547 638 2HE MET 83 HE2 MET 83 -14.854 -11.002 19.252 639 3HE MET 83 HE3 MET 83 -15.179 -12.629 18.653 640 H ASN 84 HN ASN 84 -13.789 -10.165 13.405 641 HA ASN 84 HA ASN 84 -12.629 -12.372 11.835 642 1HB ASN 84 HB2 ASN 84 -15.571 -11.757 12.136 643 2HB ASN 84 HB1 ASN 84 -14.845 -13.189 11.415 644 1HD2 ASN 84 HD21 ASN 84 -15.342 -11.446 14.412 645 2HD2 ASN 84 HD22 ASN 84 -15.142 -12.807 15.457 646 H VAL 85 HN VAL 85 -15.283 -10.053 11.287 647 HA VAL 85 HA VAL 85 -13.905 -9.160 8.847 648 HB VAL 85 HB VAL 85 -16.877 -9.678 8.947 649 1HG1 VAL 85 HG11 VAL 85 -16.728 -9.449 6.518 650 2HG1 VAL 85 HG12 VAL 85 -14.995 -9.144 6.649 651 3HG1 VAL 85 HG13 VAL 85 -16.145 -7.998 7.335 652 1HG2 VAL 85 HG21 VAL 85 -15.235 -11.722 9.110 653 2HG2 VAL 85 HG22 VAL 85 -15.019 -11.413 7.388 654 3HG2 VAL 85 HG23 VAL 85 -16.625 -11.768 8.025 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 13.559 3.987 -32.996 2 2H GLY 1 HT2 GLY 1 12.248 3.988 -34.065 3 3H GLY 1 HT3 GLY 1 12.640 5.391 -33.207 4 1HA GLY 1 HA1 GLY 1 14.717 4.249 -34.907 5 2HA GLY 1 HA2 GLY 1 13.366 5.032 -35.711 6 H SER 2 HN SER 2 16.389 5.520 -34.486 7 HA SER 2 HA SER 2 16.428 8.268 -34.994 8 1HB SER 2 HB2 SER 2 16.411 9.307 -32.875 9 2HB SER 2 HB1 SER 2 15.034 8.205 -32.848 10 HG SER 2 HG SER 2 16.974 8.298 -31.128 11 H SER 3 HN SER 3 17.889 5.396 -33.934 12 HA SER 3 HA SER 3 20.050 4.705 -33.947 13 1HB SER 3 HB2 SER 3 20.191 7.234 -35.397 14 2HB SER 3 HB1 SER 3 21.678 6.879 -34.518 15 HG SER 3 HG SER 3 21.892 5.866 -36.443 16 H LEU 4 HN LEU 4 20.197 8.103 -32.830 17 HA LEU 4 HA LEU 4 21.981 7.466 -30.703 18 1HB LEU 4 HB2 LEU 4 20.728 9.846 -31.803 19 2HB LEU 4 HB1 LEU 4 20.774 9.890 -30.051 20 HG LEU 4 HG LEU 4 23.310 9.164 -30.506 21 1HD1 LEU 4 HD11 LEU 4 24.163 9.687 -32.513 22 2HD1 LEU 4 HD12 LEU 4 23.130 11.104 -32.701 23 3HD1 LEU 4 HD13 LEU 4 22.501 9.496 -33.068 24 1HD2 LEU 4 HD21 LEU 4 22.253 11.212 -29.336 25 2HD2 LEU 4 HD22 LEU 4 22.588 12.048 -30.853 26 3HD2 LEU 4 HD23 LEU 4 23.909 11.329 -29.933 27 H ALA 5 HN ALA 5 18.696 8.837 -30.467 28 HA ALA 5 HA ALA 5 18.386 7.919 -27.777 29 1HB ALA 5 HB1 ALA 5 16.378 9.068 -27.749 30 2HB ALA 5 HB2 ALA 5 16.092 8.820 -29.470 31 3HB ALA 5 HB3 ALA 5 17.314 9.973 -28.936 32 H SER 6 HN SER 6 18.822 5.630 -28.196 33 HA SER 6 HA SER 6 16.735 4.145 -29.578 34 1HB SER 6 HB2 SER 6 19.478 3.585 -28.636 35 2HB SER 6 HB1 SER 6 18.353 2.236 -28.500 36 HG SER 6 HG SER 6 18.378 3.665 -30.899 37 H GLN 7 HN GLN 7 14.985 4.607 -28.168 38 HA GLN 7 HA GLN 7 15.190 3.549 -25.453 39 1HB GLN 7 HB2 GLN 7 13.741 5.704 -26.670 40 2HB GLN 7 HB1 GLN 7 12.603 4.601 -25.910 41 1HG GLN 7 HG2 GLN 7 13.036 5.951 -24.145 42 2HG GLN 7 HG1 GLN 7 14.325 4.770 -23.913 43 1HE2 GLN 7 HE21 GLN 7 15.619 6.231 -22.813 44 2HE2 GLN 7 HE22 GLN 7 16.427 7.533 -23.610 45 H GLY 8 HN GLY 8 15.220 1.323 -26.060 46 1HA GLY 8 HA2 GLY 8 12.958 0.219 -27.485 47 2HA GLY 8 HA1 GLY 8 14.298 -0.684 -26.792 48 H GLN 9 HN GLN 9 12.044 -1.896 -26.437 49 HA GLN 9 HA GLN 9 10.613 -1.037 -24.096 50 1HB GLN 9 HB2 GLN 9 10.522 -3.654 -25.608 51 2HB GLN 9 HB1 GLN 9 9.402 -3.172 -24.343 52 1HG GLN 9 HG2 GLN 9 9.554 -1.148 -26.377 53 2HG GLN 9 HG1 GLN 9 9.172 -2.718 -27.084 54 1HE2 GLN 9 HE21 GLN 9 7.711 -0.074 -26.268 55 2HE2 GLN 9 HE22 GLN 9 6.237 -0.663 -25.587 56 H ASN 10 HN ASN 10 13.510 -2.712 -24.620 57 HA ASN 10 HA ASN 10 13.448 -4.533 -22.462 58 1HB ASN 10 HB2 ASN 10 15.950 -4.524 -22.732 59 2HB ASN 10 HB1 ASN 10 15.051 -4.881 -24.202 60 1HD2 ASN 10 HD21 ASN 10 17.754 -3.669 -23.577 61 2HD2 ASN 10 HD22 ASN 10 17.802 -2.237 -24.542 62 H LEU 11 HN LEU 11 13.902 -1.127 -22.618 63 HA LEU 11 HA LEU 11 15.494 -0.705 -20.346 64 1HB LEU 11 HB2 LEU 11 13.348 1.037 -21.553 65 2HB LEU 11 HB1 LEU 11 14.489 1.566 -20.329 66 HG LEU 11 HG LEU 11 15.498 0.448 -22.914 67 1HD1 LEU 11 HD11 LEU 11 15.140 3.377 -22.693 68 2HD1 LEU 11 HD12 LEU 11 13.710 2.412 -23.064 69 3HD1 LEU 11 HD13 LEU 11 15.125 2.328 -24.112 70 1HD2 LEU 11 HD21 LEU 11 16.680 1.439 -20.593 71 2HD2 LEU 11 HD22 LEU 11 16.858 2.729 -21.783 72 3HD2 LEU 11 HD23 LEU 11 17.472 1.113 -22.136 73 H SER 12 HN SER 12 11.963 -0.868 -20.698 74 HA SER 12 HA SER 12 11.571 -0.552 -17.851 75 1HB SER 12 HB2 SER 12 9.447 -1.395 -19.814 76 2HB SER 12 HB1 SER 12 9.257 -0.500 -18.307 77 HG SER 12 HG SER 12 10.611 1.151 -19.454 78 H THR 13 HN THR 13 12.135 -3.113 -20.029 79 HA THR 13 HA THR 13 10.812 -5.161 -18.501 80 HB THR 13 HB THR 13 12.859 -5.413 -20.713 81 HG1 THR 13 HG1 THR 13 10.878 -4.301 -21.268 82 1HG2 THR 13 HG21 THR 13 10.950 -7.406 -19.531 83 2HG2 THR 13 HG22 THR 13 12.707 -7.510 -19.627 84 3HG2 THR 13 HG23 THR 13 11.735 -7.611 -21.096 85 H VAL 14 HN VAL 14 14.053 -3.831 -18.743 86 HA VAL 14 HA VAL 14 15.350 -5.903 -17.295 87 HB VAL 14 HB VAL 14 16.494 -4.226 -18.786 88 1HG1 VAL 14 HG11 VAL 14 17.209 -2.104 -17.751 89 2HG1 VAL 14 HG12 VAL 14 16.123 -2.435 -16.397 90 3HG1 VAL 14 HG13 VAL 14 15.468 -2.196 -18.018 91 1HG2 VAL 14 HG21 VAL 14 17.389 -5.499 -16.442 92 2HG2 VAL 14 HG22 VAL 14 18.139 -3.903 -16.469 93 3HG2 VAL 14 HG23 VAL 14 18.344 -4.997 -17.837 94 H LEU 15 HN LEU 15 13.847 -2.853 -16.374 95 HA LEU 15 HA LEU 15 14.612 -3.116 -13.602 96 1HB LEU 15 HB2 LEU 15 13.190 -1.125 -15.253 97 2HB LEU 15 HB1 LEU 15 12.656 -1.230 -13.586 98 HG LEU 15 HG LEU 15 14.327 0.513 -13.847 99 1HD1 LEU 15 HD11 LEU 15 16.116 -0.573 -12.264 100 2HD1 LEU 15 HD12 LEU 15 14.944 -1.887 -12.203 101 3HD1 LEU 15 HD13 LEU 15 14.473 -0.264 -11.704 102 1HD2 LEU 15 HD21 LEU 15 15.458 -0.652 -15.794 103 2HD2 LEU 15 HD22 LEU 15 16.324 -1.603 -14.588 104 3HD2 LEU 15 HD23 LEU 15 16.512 0.151 -14.631 105 H ALA 16 HN ALA 16 12.031 -4.184 -15.601 106 HA ALA 16 HA ALA 16 9.937 -4.361 -13.737 107 1HB ALA 16 HB1 ALA 16 10.508 -6.078 -16.148 108 2HB ALA 16 HB2 ALA 16 9.557 -4.594 -16.118 109 3HB ALA 16 HB3 ALA 16 8.978 -6.029 -15.272 110 H ASN 17 HN ASN 17 11.196 -5.049 -11.836 111 HA ASN 17 HA ASN 17 11.392 -7.983 -11.724 112 1HB ASN 17 HB2 ASN 17 13.542 -6.282 -11.499 113 2HB ASN 17 HB1 ASN 17 13.103 -6.560 -9.816 114 1HD2 ASN 17 HD21 ASN 17 13.156 -8.681 -8.999 115 2HD2 ASN 17 HD22 ASN 17 14.091 -9.915 -9.766 116 H LEU 18 HN LEU 18 11.412 -5.181 -9.529 117 HA LEU 18 HA LEU 18 9.319 -6.520 -7.943 118 1HB LEU 18 HB2 LEU 18 11.799 -5.098 -7.049 119 2HB LEU 18 HB1 LEU 18 10.405 -5.223 -5.991 120 HG LEU 18 HG LEU 18 11.735 -7.633 -7.216 121 1HD1 LEU 18 HD11 LEU 18 12.178 -6.881 -4.378 122 2HD1 LEU 18 HD12 LEU 18 13.119 -6.052 -5.619 123 3HD1 LEU 18 HD13 LEU 18 13.197 -7.808 -5.479 124 1HD2 LEU 18 HD21 LEU 18 10.584 -8.824 -5.430 125 2HD2 LEU 18 HD22 LEU 18 9.435 -7.931 -6.429 126 3HD2 LEU 18 HD23 LEU 18 9.898 -7.305 -4.845 127 H THR 19 HN THR 19 7.757 -5.277 -9.136 128 HA THR 19 HA THR 19 7.814 -2.393 -8.837 129 HB THR 19 HB THR 19 5.856 -4.248 -10.196 130 HG1 THR 19 HG1 THR 19 7.673 -2.357 -11.265 131 1HG2 THR 19 HG21 THR 19 5.571 -1.436 -9.520 132 2HG2 THR 19 HG22 THR 19 4.378 -2.592 -10.114 133 3HG2 THR 19 HG23 THR 19 5.435 -1.755 -11.250 134 HA PRO 20 HA PRO 20 3.838 -3.429 -6.286 135 1HB PRO 20 HB2 PRO 20 3.599 -5.965 -5.331 136 2HB PRO 20 HB1 PRO 20 2.895 -5.434 -6.861 137 1HG PRO 20 HG2 PRO 20 5.421 -6.947 -6.363 138 2HG PRO 20 HG1 PRO 20 4.200 -7.190 -7.624 139 1HD PRO 20 HD2 PRO 20 6.541 -5.921 -8.077 140 2HD PRO 20 HD1 PRO 20 5.052 -5.513 -8.948 141 H GLU 21 HN GLU 21 6.993 -4.679 -5.632 142 HA GLU 21 HA GLU 21 6.654 -4.641 -2.756 143 1HB GLU 21 HB2 GLU 21 8.147 -6.295 -3.799 144 2HB GLU 21 HB1 GLU 21 9.151 -4.992 -4.422 145 1HG GLU 21 HG2 GLU 21 9.987 -4.457 -2.335 146 2HG GLU 21 HG1 GLU 21 8.642 -5.221 -1.489 147 H GLN 22 HN GLN 22 8.486 -2.794 -5.178 148 HA GLN 22 HA GLN 22 9.506 -0.893 -3.336 149 1HB GLN 22 HB2 GLN 22 9.204 -0.865 -6.338 150 2HB GLN 22 HB1 GLN 22 9.933 0.462 -5.447 151 1HG GLN 22 HG2 GLN 22 10.914 -2.381 -5.375 152 2HG GLN 22 HG1 GLN 22 11.570 -1.117 -6.416 153 1HE2 GLN 22 HE21 GLN 22 13.157 -2.474 -4.628 154 2HE2 GLN 22 HE22 GLN 22 13.656 -1.402 -3.371 155 H GLN 23 HN GLN 23 6.912 -0.655 -5.769 156 HA GLN 23 HA GLN 23 6.042 1.903 -5.175 157 1HB GLN 23 HB2 GLN 23 5.239 0.665 -7.117 158 2HB GLN 23 HB1 GLN 23 4.393 -0.470 -6.073 159 1HG GLN 23 HG2 GLN 23 2.697 0.919 -6.765 160 2HG GLN 23 HG1 GLN 23 3.143 1.626 -5.214 161 1HE2 GLN 23 HE21 GLN 23 1.869 2.784 -7.622 162 2HE2 GLN 23 HE22 GLN 23 2.845 4.146 -8.043 163 H LYS 24 HN LYS 24 4.814 -1.163 -3.802 164 HA LYS 24 HA LYS 24 2.915 -0.142 -2.084 165 1HB LYS 24 HB2 LYS 24 4.475 -2.590 -2.259 166 2HB LYS 24 HB1 LYS 24 4.084 -2.174 -0.601 167 1HG LYS 24 HG2 LYS 24 1.758 -1.834 -2.217 168 2HG LYS 24 HG1 LYS 24 2.446 -3.430 -2.518 169 1HD LYS 24 HD2 LYS 24 2.531 -2.928 0.286 170 2HD LYS 24 HD1 LYS 24 0.908 -2.554 -0.296 171 1HE LYS 24 HE2 LYS 24 2.375 -5.120 -0.887 172 2HE LYS 24 HE1 LYS 24 1.225 -4.919 0.433 173 1HZ LYS 24 HZ1 LYS 24 -0.424 -5.297 -0.971 174 2HZ LYS 24 HZ2 LYS 24 0.685 -5.552 -2.223 175 3HZ LYS 24 HZ3 LYS 24 0.057 -4.006 -1.955 176 H ASN 25 HN ASN 25 6.339 -0.757 -1.320 177 HA ASN 25 HA ASN 25 6.384 0.144 1.276 178 1HB ASN 25 HB2 ASN 25 8.256 -0.839 -0.349 179 2HB ASN 25 HB1 ASN 25 8.708 0.859 -0.435 180 1HD2 ASN 25 HD21 ASN 25 7.466 -1.164 2.204 181 2HD2 ASN 25 HD22 ASN 25 8.770 -0.841 3.289 182 H VAL 26 HN VAL 26 7.140 2.123 -1.618 183 HA VAL 26 HA VAL 26 7.493 4.534 -0.265 184 HB VAL 26 HB VAL 26 7.887 3.954 -2.776 185 1HG1 VAL 26 HG11 VAL 26 6.185 4.946 -4.272 186 2HG1 VAL 26 HG12 VAL 26 5.093 5.074 -2.894 187 3HG1 VAL 26 HG13 VAL 26 5.634 3.492 -3.448 188 1HG2 VAL 26 HG21 VAL 26 6.867 6.707 -2.126 189 2HG2 VAL 26 HG22 VAL 26 8.120 6.257 -3.283 190 3HG2 VAL 26 HG23 VAL 26 8.416 6.086 -1.553 191 H LEU 27 HN LEU 27 4.555 3.082 -1.583 192 HA LEU 27 HA LEU 27 2.793 5.198 -1.098 193 1HB LEU 27 HB2 LEU 27 2.237 2.232 -0.994 194 2HB LEU 27 HB1 LEU 27 1.016 3.484 -1.091 195 HG LEU 27 HG LEU 27 3.070 2.848 -3.206 196 1HD1 LEU 27 HD11 LEU 27 0.575 1.670 -2.611 197 2HD1 LEU 27 HD12 LEU 27 1.617 1.384 -4.004 198 3HD1 LEU 27 HD13 LEU 27 0.372 2.630 -4.076 199 1HD2 LEU 27 HD21 LEU 27 1.039 4.460 -4.247 200 2HD2 LEU 27 HD22 LEU 27 2.726 4.898 -3.979 201 3HD2 LEU 27 HD23 LEU 27 1.522 5.220 -2.731 202 H GLY 28 HN GLY 28 3.490 2.351 0.931 203 1HA GLY 28 HA2 GLY 28 1.865 3.084 3.094 204 2HA GLY 28 HA1 GLY 28 3.235 1.988 3.179 205 H GLU 29 HN GLU 29 5.334 3.713 2.550 206 HA GLU 29 HA GLU 29 5.860 4.896 5.027 207 1HB GLU 29 HB2 GLU 29 7.135 5.738 2.423 208 2HB GLU 29 HB1 GLU 29 7.835 5.805 4.036 209 1HG GLU 29 HG2 GLU 29 7.050 3.118 3.394 210 2HG GLU 29 HG1 GLU 29 8.106 3.775 2.144 211 H ARG 30 HN ARG 30 5.071 6.474 1.934 212 HA ARG 30 HA ARG 30 4.817 9.067 3.033 213 1HB ARG 30 HB2 ARG 30 3.656 7.911 0.491 214 2HB ARG 30 HB1 ARG 30 3.686 9.622 0.896 215 1HG ARG 30 HG2 ARG 30 6.305 8.974 1.178 216 2HG ARG 30 HG1 ARG 30 5.815 7.885 -0.121 217 1HD ARG 30 HD2 ARG 30 4.904 9.797 -1.363 218 2HD ARG 30 HD1 ARG 30 5.426 10.877 -0.070 219 HE ARG 30 HE ARG 30 7.070 9.677 -2.111 220 1HH1 ARG 30 HH11 ARG 30 7.025 11.174 1.042 221 2HH1 ARG 30 HH12 ARG 30 8.688 11.657 0.974 222 1HH2 ARG 30 HH21 ARG 30 9.255 10.309 -2.202 223 2HH2 ARG 30 HH22 ARG 30 9.953 11.166 -0.869 224 H LEU 31 HN LEU 31 2.730 6.335 3.031 225 HA LEU 31 HA LEU 31 0.251 7.712 3.254 226 1HB LEU 31 HB2 LEU 31 1.143 5.050 3.043 227 2HB LEU 31 HB1 LEU 31 0.261 5.136 4.545 228 HG LEU 31 HG LEU 31 -1.305 6.435 2.575 229 1HD1 LEU 31 HD11 LEU 31 -1.660 4.603 0.984 230 2HD1 LEU 31 HD12 LEU 31 -0.283 3.750 1.684 231 3HD1 LEU 31 HD13 LEU 31 -0.044 5.296 0.865 232 1HD2 LEU 31 HD21 LEU 31 -2.958 4.998 3.311 233 2HD2 LEU 31 HD22 LEU 31 -1.854 5.025 4.686 234 3HD2 LEU 31 HD23 LEU 31 -1.831 3.666 3.562 235 H TYR 32 HN TYR 32 2.111 5.853 5.643 236 HA TYR 32 HA TYR 32 0.746 6.446 7.917 237 1HB TYR 32 HB2 TYR 32 2.880 4.995 7.488 238 2HB TYR 32 HB1 TYR 32 3.753 6.448 7.959 239 HD1 TYR 32 HD1 TYR 32 1.647 3.700 9.113 240 HD2 TYR 32 HD2 TYR 32 3.628 7.291 10.248 241 HE1 TYR 32 HE1 TYR 32 1.383 3.090 11.483 242 HE2 TYR 32 HE2 TYR 32 3.367 6.691 12.617 243 HH TYR 32 HH TYR 32 3.060 4.283 13.890 244 H ASN 33 HN ASN 33 2.994 8.570 6.240 245 HA ASN 33 HA ASN 33 3.374 10.454 8.293 246 1HB ASN 33 HB2 ASN 33 4.870 10.553 6.465 247 2HB ASN 33 HB1 ASN 33 3.562 10.592 5.289 248 1HD2 ASN 33 HD21 ASN 33 2.166 12.554 5.352 249 2HD2 ASN 33 HD22 ASN 33 2.936 14.069 5.671 250 H HIS 34 HN HIS 34 0.978 10.368 5.675 251 HA HIS 34 HA HIS 34 -0.193 12.856 6.231 252 1HB HIS 34 HB2 HIS 34 -2.006 12.136 4.850 253 2HB HIS 34 HB1 HIS 34 -0.539 11.466 4.151 254 HD1 HIS 34 HD1 HIS 34 -0.842 9.105 3.464 255 HD2 HIS 34 HD2 HIS 34 -3.201 10.084 6.716 256 HE1 HIS 34 HE1 HIS 34 -2.094 7.004 4.072 257 HE2 HIS 34 HE2 HIS 34 -3.424 7.596 6.104 258 H ILE 35 HN ILE 35 -0.880 9.636 7.393 259 HA ILE 35 HA ILE 35 -3.108 10.536 8.992 260 HB ILE 35 HB ILE 35 -3.427 8.470 7.867 261 1HG1 ILE 35 HG12 ILE 35 -3.211 6.995 10.260 262 2HG1 ILE 35 HG11 ILE 35 -3.538 8.659 10.731 263 1HG2 ILE 35 HG21 ILE 35 -1.048 7.322 9.307 264 2HG2 ILE 35 HG22 ILE 35 -1.013 7.909 7.645 265 3HG2 ILE 35 HG23 ILE 35 -2.041 6.543 8.073 266 1HD1 ILE 35 HD11 ILE 35 -5.548 8.711 9.511 267 2HD1 ILE 35 HD12 ILE 35 -5.541 7.180 10.393 268 3HD1 ILE 35 HD13 ILE 35 -5.162 7.208 8.668 269 H VAL 36 HN VAL 36 0.159 9.235 9.613 270 HA VAL 36 HA VAL 36 0.050 8.809 12.305 271 HB VAL 36 HB VAL 36 2.123 8.475 11.060 272 1HG1 VAL 36 HG11 VAL 36 1.869 10.670 9.779 273 2HG1 VAL 36 HG12 VAL 36 3.494 10.166 10.237 274 3HG1 VAL 36 HG13 VAL 36 2.666 11.419 11.163 275 1HG2 VAL 36 HG21 VAL 36 3.176 10.376 12.998 276 2HG2 VAL 36 HG22 VAL 36 3.331 8.620 12.935 277 3HG2 VAL 36 HG23 VAL 36 1.898 9.352 13.658 278 H ALA 37 HN ALA 37 0.590 11.941 10.727 279 HA ALA 37 HA ALA 37 0.546 13.413 13.177 280 1HB ALA 37 HB1 ALA 37 1.819 14.237 11.291 281 2HB ALA 37 HB2 ALA 37 0.552 15.395 11.700 282 3HB ALA 37 HB3 ALA 37 0.357 14.328 10.309 283 H ILE 38 HN ILE 38 -1.794 12.415 10.812 284 HA ILE 38 HA ILE 38 -3.826 14.244 11.810 285 HB ILE 38 HB ILE 38 -3.818 12.185 9.617 286 1HG1 ILE 38 HG12 ILE 38 -4.018 14.001 8.156 287 2HG1 ILE 38 HG11 ILE 38 -4.659 15.060 9.404 288 1HG2 ILE 38 HG21 ILE 38 -5.974 11.858 10.489 289 2HG2 ILE 38 HG22 ILE 38 -6.191 13.001 9.162 290 3HG2 ILE 38 HG23 ILE 38 -6.186 13.575 10.830 291 1HD1 ILE 38 HD11 ILE 38 -2.357 15.610 8.644 292 2HD1 ILE 38 HD12 ILE 38 -1.816 14.082 9.343 293 3HD1 ILE 38 HD13 ILE 38 -2.503 15.330 10.380 294 H ASN 39 HN ASN 39 -3.821 10.695 11.360 295 HA ASN 39 HA ASN 39 -5.293 10.477 13.902 296 1HB ASN 39 HB2 ASN 39 -6.114 9.674 11.281 297 2HB ASN 39 HB1 ASN 39 -5.902 8.234 12.271 298 1HD2 ASN 39 HD21 ASN 39 -7.535 7.653 13.501 299 2HD2 ASN 39 HD22 ASN 39 -8.856 8.660 13.977 300 HA PRO 40 HA PRO 40 -1.246 8.247 14.374 301 1HB PRO 40 HB2 PRO 40 -2.162 8.626 17.184 302 2HB PRO 40 HB1 PRO 40 -0.559 8.865 16.479 303 1HG PRO 40 HG2 PRO 40 -2.103 10.948 17.080 304 2HG PRO 40 HG1 PRO 40 -1.103 10.946 15.616 305 1HD PRO 40 HD2 PRO 40 -4.047 10.548 15.904 306 2HD PRO 40 HD1 PRO 40 -3.135 11.356 14.612 307 H ALA 41 HN ALA 41 -4.379 7.694 15.943 308 HA ALA 41 HA ALA 41 -3.687 4.906 16.453 309 1HB ALA 41 HB1 ALA 41 -6.117 4.956 17.405 310 2HB ALA 41 HB2 ALA 41 -5.902 6.705 17.329 311 3HB ALA 41 HB3 ALA 41 -4.800 5.722 18.294 312 H ALA 42 HN ALA 42 -3.721 5.389 13.777 313 HA ALA 42 HA ALA 42 -5.740 3.553 12.895 314 1HB ALA 42 HB1 ALA 42 -6.481 5.178 11.034 315 2HB ALA 42 HB2 ALA 42 -5.906 6.439 12.125 316 3HB ALA 42 HB3 ALA 42 -7.191 5.349 12.642 317 H ALA 43 HN ALA 43 -3.156 5.788 12.156 318 HA ALA 43 HA ALA 43 -2.352 5.253 9.649 319 1HB ALA 43 HB1 ALA 43 -0.493 5.284 12.025 320 2HB ALA 43 HB2 ALA 43 -1.143 6.712 11.219 321 3HB ALA 43 HB3 ALA 43 -0.059 5.623 10.349 322 H ALA 44 HN ALA 44 -1.491 3.222 12.449 323 HA ALA 44 HA ALA 44 -0.073 1.271 11.130 324 1HB ALA 44 HB1 ALA 44 0.042 1.165 13.442 325 2HB ALA 44 HB2 ALA 44 -0.925 -0.249 13.029 326 3HB ALA 44 HB3 ALA 44 -1.711 1.211 13.627 327 H LYS 45 HN LYS 45 -3.516 1.721 11.319 328 HA LYS 45 HA LYS 45 -4.087 -0.870 10.146 329 1HB LYS 45 HB2 LYS 45 -5.656 1.323 11.364 330 2HB LYS 45 HB1 LYS 45 -6.466 0.403 10.104 331 1HG LYS 45 HG2 LYS 45 -5.102 -0.965 12.391 332 2HG LYS 45 HG1 LYS 45 -6.748 -0.346 12.535 333 1HD LYS 45 HD2 LYS 45 -7.356 -2.349 11.737 334 2HD LYS 45 HD1 LYS 45 -6.861 -1.709 10.169 335 1HE LYS 45 HE2 LYS 45 -5.642 -3.629 10.179 336 2HE LYS 45 HE1 LYS 45 -4.494 -2.574 11.001 337 1HZ LYS 45 HZ1 LYS 45 -4.924 -3.540 13.022 338 2HZ LYS 45 HZ2 LYS 45 -5.078 -4.875 11.994 339 3HZ LYS 45 HZ3 LYS 45 -6.461 -4.089 12.576 340 H VAL 46 HN VAL 46 -4.372 2.551 9.243 341 HA VAL 46 HA VAL 46 -5.448 2.107 6.681 342 HB VAL 46 HB VAL 46 -3.735 4.452 7.497 343 1HG1 VAL 46 HG11 VAL 46 -6.055 4.707 5.683 344 2HG1 VAL 46 HG12 VAL 46 -4.630 3.887 5.043 345 3HG1 VAL 46 HG13 VAL 46 -4.499 5.536 5.657 346 1HG2 VAL 46 HG21 VAL 46 -5.317 4.523 9.157 347 2HG2 VAL 46 HG22 VAL 46 -6.547 3.731 8.172 348 3HG2 VAL 46 HG23 VAL 46 -6.146 5.426 7.887 349 H THR 47 HN THR 47 -2.139 2.230 7.859 350 HA THR 47 HA THR 47 -0.965 2.255 5.246 351 HB THR 47 HB THR 47 0.327 1.517 7.874 352 HG1 THR 47 HG1 THR 47 0.295 4.064 6.645 353 1HG2 THR 47 HG21 THR 47 2.375 1.831 6.929 354 2HG2 THR 47 HG22 THR 47 1.751 2.885 5.659 355 3HG2 THR 47 HG23 THR 47 1.498 1.142 5.562 356 H GLY 48 HN GLY 48 -1.217 -0.220 7.794 357 1HA GLY 48 HA2 GLY 48 -0.053 -2.290 6.253 358 2HA GLY 48 HA1 GLY 48 -1.003 -2.502 7.718 359 H MET 49 HN MET 49 -3.446 -1.732 7.155 360 HA MET 49 HA MET 49 -4.410 -3.807 5.466 361 1HB MET 49 HB2 MET 49 -5.909 -1.455 6.639 362 2HB MET 49 HB1 MET 49 -6.644 -2.872 5.903 363 1HG MET 49 HG2 MET 49 -4.884 -2.946 8.340 364 2HG MET 49 HG1 MET 49 -6.646 -2.901 8.375 365 1HE MET 49 HE1 MET 49 -4.055 -5.704 6.223 366 2HE MET 49 HE2 MET 49 -3.759 -6.157 7.901 367 3HE MET 49 HE3 MET 49 -3.529 -4.487 7.387 368 H LEU 50 HN LEU 50 -4.420 -0.268 5.191 369 HA LEU 50 HA LEU 50 -5.224 1.012 3.387 370 1HB LEU 50 HB2 LEU 50 -2.743 0.967 3.449 371 2HB LEU 50 HB1 LEU 50 -2.769 -0.328 2.274 372 HG LEU 50 HG LEU 50 -3.845 1.164 0.641 373 1HD1 LEU 50 HD11 LEU 50 -4.819 3.074 1.226 374 2HD1 LEU 50 HD12 LEU 50 -3.295 3.683 1.874 375 3HD1 LEU 50 HD13 LEU 50 -4.384 2.754 2.906 376 1HD2 LEU 50 HD21 LEU 50 -1.868 2.764 0.422 377 2HD2 LEU 50 HD22 LEU 50 -1.521 1.036 0.416 378 3HD2 LEU 50 HD23 LEU 50 -1.238 1.987 1.875 379 H LEU 51 HN LEU 51 -3.935 -1.917 1.779 380 HA LEU 51 HA LEU 51 -5.861 -1.712 -0.323 381 1HB LEU 51 HB2 LEU 51 -3.657 -3.601 0.384 382 2HB LEU 51 HB1 LEU 51 -4.849 -4.089 -0.803 383 HG LEU 51 HG LEU 51 -3.726 -1.447 -1.341 384 1HD1 LEU 51 HD11 LEU 51 -1.830 -3.684 -1.812 385 2HD1 LEU 51 HD12 LEU 51 -1.833 -2.860 -0.254 386 3HD1 LEU 51 HD13 LEU 51 -1.528 -1.949 -1.733 387 1HD2 LEU 51 HD21 LEU 51 -3.627 -3.882 -3.083 388 2HD2 LEU 51 HD22 LEU 51 -3.750 -2.187 -3.554 389 3HD2 LEU 51 HD23 LEU 51 -5.133 -3.001 -2.822 390 H GLU 52 HN GLU 52 -7.699 -1.741 1.276 391 HA GLU 52 HA GLU 52 -8.371 -4.424 2.223 392 1HB GLU 52 HB2 GLU 52 -9.424 -1.673 2.805 393 2HB GLU 52 HB1 GLU 52 -10.381 -3.093 3.204 394 1HG GLU 52 HG2 GLU 52 -7.589 -2.554 4.186 395 2HG GLU 52 HG1 GLU 52 -9.067 -2.264 5.102 396 H MET 53 HN MET 53 -11.039 -4.536 2.148 397 HA MET 53 HA MET 53 -11.600 -5.217 -0.521 398 1HB MET 53 HB2 MET 53 -13.583 -4.722 1.706 399 2HB MET 53 HB1 MET 53 -13.867 -5.655 0.241 400 1HG MET 53 HG2 MET 53 -11.773 -6.382 2.263 401 2HG MET 53 HG1 MET 53 -13.431 -6.968 2.342 402 1HE MET 53 HE1 MET 53 -13.755 -9.486 1.547 403 2HE MET 53 HE2 MET 53 -13.748 -9.635 -0.209 404 3HE MET 53 HE3 MET 53 -14.592 -8.289 0.558 405 H ASP 54 HN ASP 54 -13.088 -2.632 1.455 406 HA ASP 54 HA ASP 54 -13.967 -1.317 -0.994 407 1HB ASP 54 HB2 ASP 54 -15.641 -1.485 0.688 408 2HB ASP 54 HB1 ASP 54 -14.577 -0.820 1.920 409 H ASN 55 HN ASN 55 -12.649 0.033 2.047 410 HA ASN 55 HA ASN 55 -11.702 2.405 1.100 411 1HB ASN 55 HB2 ASN 55 -11.549 1.883 3.459 412 2HB ASN 55 HB1 ASN 55 -10.394 0.593 3.143 413 1HD2 ASN 55 HD21 ASN 55 -8.797 1.458 4.429 414 2HD2 ASN 55 HD22 ASN 55 -7.937 2.897 4.018 415 H GLY 56 HN GLY 56 -10.360 -0.762 0.589 416 1HA GLY 56 HA2 GLY 56 -7.814 0.030 -0.312 417 2HA GLY 56 HA1 GLY 56 -8.598 -1.504 -0.655 418 H GLU 57 HN GLU 57 -10.574 -1.167 -2.276 419 HA GLU 57 HA GLU 57 -9.696 -0.852 -4.769 420 1HB GLU 57 HB2 GLU 57 -12.339 0.311 -3.909 421 2HB GLU 57 HB1 GLU 57 -11.899 -0.229 -5.521 422 1HG GLU 57 HG2 GLU 57 -12.118 -1.976 -3.091 423 2HG GLU 57 HG1 GLU 57 -13.317 -1.846 -4.373 424 H ILE 58 HN ILE 58 -11.052 1.932 -2.999 425 HA ILE 58 HA ILE 58 -10.550 3.857 -4.946 426 HB ILE 58 HB ILE 58 -10.563 4.224 -1.949 427 1HG1 ILE 58 HG12 ILE 58 -12.860 4.843 -3.764 428 2HG1 ILE 58 HG11 ILE 58 -12.586 3.177 -3.266 429 1HG2 ILE 58 HG21 ILE 58 -10.937 6.530 -2.307 430 2HG2 ILE 58 HG22 ILE 58 -11.189 6.297 -4.037 431 3HG2 ILE 58 HG23 ILE 58 -9.579 6.102 -3.346 432 1HD1 ILE 58 HD11 ILE 58 -12.487 4.283 -0.876 433 2HD1 ILE 58 HD12 ILE 58 -14.016 3.841 -1.638 434 3HD1 ILE 58 HD13 ILE 58 -13.462 5.515 -1.675 435 H LEU 59 HN LEU 59 -8.492 2.717 -2.300 436 HA LEU 59 HA LEU 59 -6.403 4.374 -2.198 437 1HB LEU 59 HB2 LEU 59 -5.161 2.656 -1.370 438 2HB LEU 59 HB1 LEU 59 -6.766 1.972 -1.243 439 HG LEU 59 HG LEU 59 -6.243 0.961 -3.597 440 1HD1 LEU 59 HD11 LEU 59 -3.515 0.499 -2.973 441 2HD1 LEU 59 HD12 LEU 59 -3.772 2.244 -2.988 442 3HD1 LEU 59 HD13 LEU 59 -4.199 1.278 -4.399 443 1HD2 LEU 59 HD21 LEU 59 -5.454 -1.023 -2.539 444 2HD2 LEU 59 HD22 LEU 59 -6.579 -0.230 -1.449 445 3HD2 LEU 59 HD23 LEU 59 -4.852 -0.111 -1.155 446 H ASN 60 HN ASN 60 -7.117 2.247 -4.883 447 HA ASN 60 HA ASN 60 -4.808 2.231 -6.332 448 1HB ASN 60 HB2 ASN 60 -7.264 1.388 -6.879 449 2HB ASN 60 HB1 ASN 60 -7.312 2.870 -7.828 450 1HD2 ASN 60 HD21 ASN 60 -7.610 0.712 -9.247 451 2HD2 ASN 60 HD22 ASN 60 -6.176 0.282 -10.110 452 H LEU 61 HN LEU 61 -6.765 4.994 -5.624 453 HA LEU 61 HA LEU 61 -5.037 6.633 -7.353 454 1HB LEU 61 HB2 LEU 61 -7.853 7.362 -6.570 455 2HB LEU 61 HB1 LEU 61 -6.844 8.104 -7.802 456 HG LEU 61 HG LEU 61 -7.266 5.286 -8.346 457 1HD1 LEU 61 HD11 LEU 61 -9.717 5.853 -9.078 458 2HD1 LEU 61 HD12 LEU 61 -9.628 6.995 -7.737 459 3HD1 LEU 61 HD13 LEU 61 -9.374 5.274 -7.449 460 1HD2 LEU 61 HD21 LEU 61 -8.276 6.502 -10.451 461 2HD2 LEU 61 HD22 LEU 61 -6.536 6.468 -10.160 462 3HD2 LEU 61 HD23 LEU 61 -7.472 7.904 -9.742 463 H LEU 62 HN LEU 62 -4.034 6.191 -4.925 464 HA LEU 62 HA LEU 62 -4.620 7.309 -2.629 465 1HB LEU 62 HB2 LEU 62 -2.065 7.648 -4.153 466 2HB LEU 62 HB1 LEU 62 -2.233 8.264 -2.519 467 HG LEU 62 HG LEU 62 -2.961 5.436 -2.954 468 1HD1 LEU 62 HD11 LEU 62 -0.593 4.743 -2.809 469 2HD1 LEU 62 HD12 LEU 62 -0.123 6.422 -3.069 470 3HD1 LEU 62 HD13 LEU 62 -0.999 5.547 -4.325 471 1HD2 LEU 62 HD21 LEU 62 -2.607 7.068 -0.778 472 2HD2 LEU 62 HD22 LEU 62 -1.092 6.167 -0.835 473 3HD2 LEU 62 HD23 LEU 62 -2.629 5.305 -0.743 474 H ASP 63 HN ASP 63 -6.202 8.904 -2.791 475 HA ASP 63 HA ASP 63 -5.345 11.534 -3.774 476 1HB ASP 63 HB2 ASP 63 -8.001 10.204 -3.400 477 2HB ASP 63 HB1 ASP 63 -7.911 11.961 -3.387 478 H THR 64 HN THR 64 -6.121 13.439 -2.515 479 HA THR 64 HA THR 64 -5.309 13.160 0.209 480 HB THR 64 HB THR 64 -6.574 15.685 -0.223 481 HG1 THR 64 HG1 THR 64 -4.627 15.322 -2.193 482 1HG2 THR 64 HG21 THR 64 -4.741 15.632 1.213 483 2HG2 THR 64 HG22 THR 64 -4.156 16.473 -0.222 484 3HG2 THR 64 HG23 THR 64 -3.732 14.782 0.043 485 HA PRO 65 HA PRO 65 -9.893 14.076 1.177 486 1HB PRO 65 HB2 PRO 65 -11.710 13.963 -0.843 487 2HB PRO 65 HB1 PRO 65 -10.872 15.444 -0.370 488 1HG PRO 65 HG2 PRO 65 -10.393 13.658 -2.692 489 2HG PRO 65 HG1 PRO 65 -10.192 15.410 -2.558 490 1HD PRO 65 HD2 PRO 65 -8.140 13.551 -2.460 491 2HD PRO 65 HD1 PRO 65 -8.041 15.214 -1.860 492 H GLY 66 HN GLY 66 -10.419 12.062 -1.719 493 1HA GLY 66 HA2 GLY 66 -12.066 10.169 -0.701 494 2HA GLY 66 HA1 GLY 66 -10.885 9.825 -1.956 495 H LEU 67 HN LEU 67 -8.543 9.659 -0.915 496 HA LEU 67 HA LEU 67 -8.529 7.279 0.547 497 1HB LEU 67 HB2 LEU 67 -6.688 9.028 -0.700 498 2HB LEU 67 HB1 LEU 67 -6.076 8.666 0.889 499 HG LEU 67 HG LEU 67 -5.256 7.132 -0.878 500 1HD1 LEU 67 HD11 LEU 67 -5.321 6.378 1.445 501 2HD1 LEU 67 HD12 LEU 67 -5.640 5.054 0.331 502 3HD1 LEU 67 HD13 LEU 67 -6.972 5.805 1.214 503 1HD2 LEU 67 HD21 LEU 67 -7.537 5.463 -1.129 504 2HD2 LEU 67 HD22 LEU 67 -6.657 6.322 -2.393 505 3HD2 LEU 67 HD23 LEU 67 -8.005 7.103 -1.570 506 H LEU 68 HN LEU 68 -7.315 10.447 1.742 507 HA LEU 68 HA LEU 68 -6.963 9.815 4.368 508 1HB LEU 68 HB2 LEU 68 -7.185 12.182 2.873 509 2HB LEU 68 HB1 LEU 68 -8.221 12.393 4.266 510 HG LEU 68 HG LEU 68 -5.966 11.409 5.432 511 1HD1 LEU 68 HD11 LEU 68 -5.089 11.848 2.906 512 2HD1 LEU 68 HD12 LEU 68 -4.068 11.896 4.342 513 3HD1 LEU 68 HD13 LEU 68 -4.715 13.392 3.668 514 1HD2 LEU 68 HD21 LEU 68 -7.401 13.831 5.344 515 2HD2 LEU 68 HD22 LEU 68 -5.695 14.249 5.189 516 3HD2 LEU 68 HD23 LEU 68 -6.248 13.296 6.566 517 H ASP 69 HN ASP 69 -10.023 10.337 2.750 518 HA ASP 69 HA ASP 69 -11.581 10.499 5.146 519 1HB ASP 69 HB2 ASP 69 -12.073 10.616 2.287 520 2HB ASP 69 HB1 ASP 69 -13.282 9.628 3.101 521 H ALA 70 HN ALA 70 -11.356 7.973 2.637 522 HA ALA 70 HA ALA 70 -12.648 6.018 4.263 523 1HB ALA 70 HB1 ALA 70 -11.044 4.990 2.053 524 2HB ALA 70 HB2 ALA 70 -12.143 6.283 1.586 525 3HB ALA 70 HB3 ALA 70 -12.769 4.832 2.372 526 H LYS 71 HN LYS 71 -9.558 7.275 4.389 527 HA LYS 71 HA LYS 71 -8.071 4.906 4.998 528 1HB LYS 71 HB2 LYS 71 -7.600 7.848 5.083 529 2HB LYS 71 HB1 LYS 71 -6.542 6.820 6.042 530 1HG LYS 71 HG2 LYS 71 -6.158 5.502 3.902 531 2HG LYS 71 HG1 LYS 71 -6.912 6.852 3.067 532 1HD LYS 71 HD2 LYS 71 -4.973 7.866 4.899 533 2HD LYS 71 HD1 LYS 71 -4.224 6.608 3.912 534 1HE LYS 71 HE2 LYS 71 -4.451 7.804 1.987 535 2HE LYS 71 HE1 LYS 71 -5.934 8.571 2.526 536 1HZ LYS 71 HZ1 LYS 71 -4.501 10.307 2.554 537 2HZ LYS 71 HZ2 LYS 71 -3.168 9.371 2.976 538 3HZ LYS 71 HZ3 LYS 71 -4.323 9.771 4.148 539 H VAL 72 HN VAL 72 -9.187 7.665 6.945 540 HA VAL 72 HA VAL 72 -8.507 6.502 9.436 541 HB VAL 72 HB VAL 72 -9.925 8.267 10.436 542 1HG1 VAL 72 HG11 VAL 72 -8.330 9.599 8.297 543 2HG1 VAL 72 HG12 VAL 72 -7.519 8.562 9.471 544 3HG1 VAL 72 HG13 VAL 72 -8.432 9.966 10.020 545 1HG2 VAL 72 HG21 VAL 72 -10.757 8.609 7.593 546 2HG2 VAL 72 HG22 VAL 72 -10.712 10.016 8.656 547 3HG2 VAL 72 HG23 VAL 72 -11.732 8.634 9.062 548 H GLN 73 HN GLN 73 -11.523 6.688 7.595 549 HA GLN 73 HA GLN 73 -13.230 5.587 9.504 550 1HB GLN 73 HB2 GLN 73 -13.393 5.240 6.507 551 2HB GLN 73 HB1 GLN 73 -14.718 5.075 7.650 552 1HG GLN 73 HG2 GLN 73 -13.191 7.638 7.350 553 2HG GLN 73 HG1 GLN 73 -14.572 7.238 6.326 554 1HE2 GLN 73 HE21 GLN 73 -16.609 6.816 7.397 555 2HE2 GLN 73 HE22 GLN 73 -16.974 7.630 8.876 556 H GLU 74 HN GLU 74 -11.339 3.973 6.957 557 HA GLU 74 HA GLU 74 -12.199 1.370 7.422 558 1HB GLU 74 HB2 GLU 74 -10.879 1.916 5.478 559 2HB GLU 74 HB1 GLU 74 -9.510 2.371 6.484 560 1HG GLU 74 HG2 GLU 74 -10.351 -0.326 7.050 561 2HG GLU 74 HG1 GLU 74 -10.016 -0.112 5.333 562 H ALA 75 HN ALA 75 -9.455 3.108 8.866 563 HA ALA 75 HA ALA 75 -8.727 0.924 10.570 564 1HB ALA 75 HB1 ALA 75 -7.864 3.807 10.488 565 2HB ALA 75 HB2 ALA 75 -6.993 2.398 9.881 566 3HB ALA 75 HB3 ALA 75 -7.208 2.623 11.617 567 H LEU 76 HN LEU 76 -10.677 3.824 10.911 568 HA LEU 76 HA LEU 76 -10.906 3.660 13.754 569 1HB LEU 76 HB2 LEU 76 -12.425 5.181 11.651 570 2HB LEU 76 HB1 LEU 76 -12.848 5.267 13.351 571 HG LEU 76 HG LEU 76 -10.197 6.065 12.158 572 1HD1 LEU 76 HD11 LEU 76 -11.613 7.746 11.478 573 2HD1 LEU 76 HD12 LEU 76 -11.059 8.348 13.040 574 3HD1 LEU 76 HD13 LEU 76 -12.646 7.595 12.900 575 1HD2 LEU 76 HD21 LEU 76 -10.852 5.352 14.799 576 2HD2 LEU 76 HD22 LEU 76 -10.699 7.109 14.771 577 3HD2 LEU 76 HD23 LEU 76 -9.366 6.098 14.213 578 H GLU 77 HN GLU 77 -12.896 2.615 11.025 579 HA GLU 77 HA GLU 77 -15.100 1.728 12.569 580 1HB GLU 77 HB2 GLU 77 -14.700 2.074 9.918 581 2HB GLU 77 HB1 GLU 77 -14.526 0.329 10.021 582 1HG GLU 77 HG2 GLU 77 -16.735 0.261 9.817 583 2HG GLU 77 HG1 GLU 77 -16.783 0.791 11.499 584 H VAL 78 HN VAL 78 -12.119 0.212 11.489 585 HA VAL 78 HA VAL 78 -12.905 -2.345 12.621 586 HB VAL 78 HB VAL 78 -11.659 -2.176 10.438 587 1HG1 VAL 78 HG11 VAL 78 -9.022 -2.164 11.422 588 2HG1 VAL 78 HG12 VAL 78 -9.815 -0.727 12.067 589 3HG1 VAL 78 HG13 VAL 78 -9.778 -1.011 10.328 590 1HG2 VAL 78 HG21 VAL 78 -9.951 -4.015 11.217 591 2HG2 VAL 78 HG22 VAL 78 -11.688 -4.323 11.227 592 3HG2 VAL 78 HG23 VAL 78 -10.856 -3.905 12.725 593 H LEU 79 HN LEU 79 -11.626 0.460 13.817 594 HA LEU 79 HA LEU 79 -9.523 -0.382 15.461 595 1HB LEU 79 HB2 LEU 79 -10.852 1.990 14.996 596 2HB LEU 79 HB1 LEU 79 -11.267 1.637 16.663 597 HG LEU 79 HG LEU 79 -8.449 1.795 15.589 598 1HD1 LEU 79 HD11 LEU 79 -9.566 3.774 17.498 599 2HD1 LEU 79 HD12 LEU 79 -10.003 3.919 15.796 600 3HD1 LEU 79 HD13 LEU 79 -8.307 3.960 16.277 601 1HD2 LEU 79 HD21 LEU 79 -7.689 1.259 17.652 602 2HD2 LEU 79 HD22 LEU 79 -9.225 0.397 17.734 603 3HD2 LEU 79 HD23 LEU 79 -9.069 1.991 18.474 604 H ASN 80 HN ASN 80 -12.857 0.311 16.542 605 HA ASN 80 HA ASN 80 -12.512 -1.291 18.903 606 1HB ASN 80 HB2 ASN 80 -14.239 0.782 18.085 607 2HB ASN 80 HB1 ASN 80 -15.269 -0.616 18.378 608 1HD2 ASN 80 HD21 ASN 80 -15.537 1.569 19.934 609 2HD2 ASN 80 HD22 ASN 80 -14.942 1.255 21.526 610 H ARG 81 HN ARG 81 -12.654 -2.447 15.985 611 HA ARG 81 HA ARG 81 -14.912 -4.193 16.075 612 1HB ARG 81 HB2 ARG 81 -12.624 -3.748 14.274 613 2HB ARG 81 HB1 ARG 81 -13.227 -5.397 14.309 614 1HG ARG 81 HG2 ARG 81 -15.260 -3.276 14.058 615 2HG ARG 81 HG1 ARG 81 -14.183 -3.501 12.679 616 1HD ARG 81 HD2 ARG 81 -14.813 -6.065 13.247 617 2HD ARG 81 HD1 ARG 81 -16.299 -5.249 13.736 618 HE ARG 81 HE ARG 81 -16.026 -4.184 11.369 619 1HH1 ARG 81 HH11 ARG 81 -15.411 -7.505 12.273 620 2HH1 ARG 81 HH12 ARG 81 -15.749 -8.123 10.693 621 1HH2 ARG 81 HH21 ARG 81 -16.473 -5.006 9.297 622 2HH2 ARG 81 HH22 ARG 81 -16.351 -6.708 9.005 623 H HIS 82 HN HIS 82 -12.787 -4.148 18.289 624 HA HIS 82 HA HIS 82 -11.598 -6.739 18.281 625 1HB HIS 82 HB2 HIS 82 -11.545 -4.344 19.906 626 2HB HIS 82 HB1 HIS 82 -11.721 -5.769 20.926 627 HD1 HIS 82 HD1 HIS 82 -9.580 -6.815 21.583 628 HD2 HIS 82 HD2 HIS 82 -9.237 -4.714 18.013 629 HE1 HIS 82 HE1 HIS 82 -7.153 -6.968 20.943 630 HE2 HIS 82 HE2 HIS 82 -6.954 -5.611 18.831 631 H MET 83 HN MET 83 -14.062 -7.381 17.677 632 HA MET 83 HA MET 83 -15.944 -7.682 19.717 633 1HB MET 83 HB2 MET 83 -16.041 -8.086 17.099 634 2HB MET 83 HB1 MET 83 -15.734 -9.749 17.573 635 1HG MET 83 HG2 MET 83 -17.850 -10.039 18.122 636 2HG MET 83 HG1 MET 83 -17.800 -8.660 19.219 637 1HE MET 83 HE1 MET 83 -18.967 -6.138 18.455 638 2HE MET 83 HE2 MET 83 -19.735 -7.562 19.156 639 3HE MET 83 HE3 MET 83 -20.503 -6.721 17.810 640 H ASN 84 HN ASN 84 -14.124 -10.392 18.293 641 HA ASN 84 HA ASN 84 -13.974 -11.574 20.987 642 1HB ASN 84 HB2 ASN 84 -14.374 -12.831 18.286 643 2HB ASN 84 HB1 ASN 84 -13.755 -13.770 19.641 644 1HD2 ASN 84 HD21 ASN 84 -15.087 -13.582 21.671 645 2HD2 ASN 84 HD22 ASN 84 -16.804 -13.625 21.479 646 H VAL 85 HN VAL 85 -12.303 -11.247 17.885 647 HA VAL 85 HA VAL 85 -9.760 -11.732 19.292 648 HB VAL 85 HB VAL 85 -10.244 -13.545 17.720 649 1HG1 VAL 85 HG11 VAL 85 -11.604 -11.987 16.194 650 2HG1 VAL 85 HG12 VAL 85 -10.642 -13.259 15.442 651 3HG1 VAL 85 HG13 VAL 85 -10.054 -11.595 15.451 652 1HG2 VAL 85 HG21 VAL 85 -8.049 -11.803 16.610 653 2HG2 VAL 85 HG22 VAL 85 -8.151 -13.563 16.574 654 3HG2 VAL 85 HG23 VAL 85 -7.908 -12.725 18.106 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 34.862 -12.634 -35.779 2 2H GLY 1 HT2 GLY 1 33.578 -11.792 -36.488 3 3H GLY 1 HT3 GLY 1 33.648 -13.478 -36.602 4 1HA GLY 1 HA1 GLY 1 32.126 -12.264 -34.836 5 2HA GLY 1 HA2 GLY 1 32.868 -13.826 -34.528 6 H SER 2 HN SER 2 33.852 -13.983 -32.637 7 HA SER 2 HA SER 2 34.907 -13.453 -30.693 8 1HB SER 2 HB2 SER 2 36.159 -11.080 -32.048 9 2HB SER 2 HB1 SER 2 36.856 -12.172 -30.850 10 HG SER 2 HG SER 2 37.739 -12.858 -32.699 11 H SER 3 HN SER 3 33.333 -12.823 -29.315 12 HA SER 3 HA SER 3 32.014 -11.476 -28.045 13 1HB SER 3 HB2 SER 3 34.498 -10.109 -28.407 14 2HB SER 3 HB1 SER 3 33.202 -8.912 -28.412 15 HG SER 3 HG SER 3 32.457 -10.058 -26.449 16 H LEU 4 HN LEU 4 30.285 -11.745 -29.579 17 HA LEU 4 HA LEU 4 29.845 -9.773 -31.615 18 1HB LEU 4 HB2 LEU 4 28.625 -12.257 -30.745 19 2HB LEU 4 HB1 LEU 4 27.413 -11.043 -31.110 20 HG LEU 4 HG LEU 4 29.554 -11.384 -33.124 21 1HD1 LEU 4 HD11 LEU 4 27.965 -13.301 -34.029 22 2HD1 LEU 4 HD12 LEU 4 27.720 -13.566 -32.303 23 3HD1 LEU 4 HD13 LEU 4 29.344 -13.644 -32.983 24 1HD2 LEU 4 HD21 LEU 4 26.977 -10.231 -32.936 25 2HD2 LEU 4 HD22 LEU 4 26.892 -11.528 -34.126 26 3HD2 LEU 4 HD23 LEU 4 28.077 -10.234 -34.313 27 H ALA 5 HN ALA 5 27.385 -8.892 -31.557 28 HA ALA 5 HA ALA 5 27.358 -6.776 -29.760 29 1HB ALA 5 HB1 ALA 5 25.952 -7.333 -31.954 30 2HB ALA 5 HB2 ALA 5 25.428 -6.132 -30.772 31 3HB ALA 5 HB3 ALA 5 24.740 -7.757 -30.745 32 H SER 6 HN SER 6 26.814 -6.575 -27.681 33 HA SER 6 HA SER 6 26.067 -8.845 -26.140 34 1HB SER 6 HB2 SER 6 26.842 -6.072 -25.638 35 2HB SER 6 HB1 SER 6 25.596 -6.638 -24.525 36 HG SER 6 HG SER 6 27.039 -8.540 -24.270 37 H GLN 7 HN GLN 7 24.156 -8.867 -24.672 38 HA GLN 7 HA GLN 7 21.782 -8.206 -26.216 39 1HB GLN 7 HB2 GLN 7 22.455 -10.392 -24.698 40 2HB GLN 7 HB1 GLN 7 21.387 -9.509 -23.617 41 1HG GLN 7 HG2 GLN 7 19.821 -10.722 -24.692 42 2HG GLN 7 HG1 GLN 7 19.916 -9.381 -25.832 43 1HE2 GLN 7 HE21 GLN 7 21.874 -9.746 -27.425 44 2HE2 GLN 7 HE22 GLN 7 21.871 -11.290 -28.197 45 H GLY 8 HN GLY 8 19.874 -7.304 -25.122 46 1HA GLY 8 HA2 GLY 8 20.708 -5.112 -23.353 47 2HA GLY 8 HA1 GLY 8 19.269 -5.124 -24.361 48 H GLN 9 HN GLN 9 20.630 -7.221 -21.810 49 HA GLN 9 HA GLN 9 17.989 -7.732 -20.766 50 1HB GLN 9 HB2 GLN 9 19.336 -8.965 -18.962 51 2HB GLN 9 HB1 GLN 9 19.403 -9.595 -20.602 52 1HG GLN 9 HG2 GLN 9 21.595 -9.193 -20.801 53 2HG GLN 9 HG1 GLN 9 21.492 -7.643 -19.970 54 1HE2 GLN 9 HE21 GLN 9 21.137 -7.802 -17.581 55 2HE2 GLN 9 HE22 GLN 9 22.003 -9.032 -16.734 56 H ASN 10 HN ASN 10 18.201 -5.100 -20.651 57 HA ASN 10 HA ASN 10 19.375 -4.011 -18.333 58 1HB ASN 10 HB2 ASN 10 18.290 -2.936 -20.545 59 2HB ASN 10 HB1 ASN 10 16.935 -2.732 -19.438 60 1HD2 ASN 10 HD21 ASN 10 16.916 -0.712 -18.782 61 2HD2 ASN 10 HD22 ASN 10 18.280 0.192 -18.230 62 H LEU 11 HN LEU 11 16.415 -5.707 -18.901 63 HA LEU 11 HA LEU 11 14.944 -4.801 -16.671 64 1HB LEU 11 HB2 LEU 11 14.797 -7.457 -18.095 65 2HB LEU 11 HB1 LEU 11 13.583 -6.813 -17.009 66 HG LEU 11 HG LEU 11 14.327 -5.209 -19.408 67 1HD1 LEU 11 HD11 LEU 11 12.941 -7.832 -19.422 68 2HD1 LEU 11 HD12 LEU 11 13.957 -7.079 -20.651 69 3HD1 LEU 11 HD13 LEU 11 12.291 -6.546 -20.440 70 1HD2 LEU 11 HD21 LEU 11 11.534 -5.440 -18.832 71 2HD2 LEU 11 HD22 LEU 11 12.573 -4.018 -18.755 72 3HD2 LEU 11 HD23 LEU 11 12.411 -5.069 -17.349 73 H SER 12 HN SER 12 16.663 -7.903 -17.107 74 HA SER 12 HA SER 12 16.488 -8.615 -14.371 75 1HB SER 12 HB2 SER 12 16.797 -10.264 -16.190 76 2HB SER 12 HB1 SER 12 18.423 -9.638 -16.463 77 HG SER 12 HG SER 12 19.097 -10.764 -14.829 78 H THR 13 HN THR 13 18.667 -6.607 -16.138 79 HA THR 13 HA THR 13 20.910 -6.783 -14.411 80 HB THR 13 HB THR 13 20.009 -4.646 -16.353 81 HG1 THR 13 HG1 THR 13 21.113 -5.752 -17.756 82 1HG2 THR 13 HG21 THR 13 22.148 -3.634 -16.251 83 2HG2 THR 13 HG22 THR 13 22.749 -4.863 -15.139 84 3HG2 THR 13 HG23 THR 13 21.528 -3.710 -14.602 85 H VAL 14 HN VAL 14 18.759 -3.983 -14.840 86 HA VAL 14 HA VAL 14 19.373 -3.016 -12.194 87 HB VAL 14 HB VAL 14 19.036 -1.570 -14.253 88 1HG1 VAL 14 HG11 VAL 14 16.225 -1.180 -13.922 89 2HG1 VAL 14 HG12 VAL 14 16.545 -2.870 -14.307 90 3HG1 VAL 14 HG13 VAL 14 17.131 -1.596 -15.375 91 1HG2 VAL 14 HG21 VAL 14 18.834 -0.943 -11.686 92 2HG2 VAL 14 HG22 VAL 14 17.181 -0.561 -12.172 93 3HG2 VAL 14 HG23 VAL 14 18.539 0.236 -12.966 94 H LEU 15 HN LEU 15 17.247 -2.083 -10.992 95 HA LEU 15 HA LEU 15 15.739 -4.432 -10.264 96 1HB LEU 15 HB2 LEU 15 15.795 -1.619 -9.182 97 2HB LEU 15 HB1 LEU 15 14.726 -2.860 -8.559 98 HG LEU 15 HG LEU 15 16.483 -2.897 -7.054 99 1HD1 LEU 15 HD11 LEU 15 17.490 -4.903 -9.051 100 2HD1 LEU 15 HD12 LEU 15 16.011 -5.138 -8.121 101 3HD1 LEU 15 HD13 LEU 15 17.558 -4.980 -7.290 102 1HD2 LEU 15 HD21 LEU 15 17.967 -1.365 -8.145 103 2HD2 LEU 15 HD22 LEU 15 18.344 -2.549 -9.396 104 3HD2 LEU 15 HD23 LEU 15 18.868 -2.825 -7.735 105 H ALA 16 HN ALA 16 15.219 -3.274 -12.906 106 HA ALA 16 HA ALA 16 12.819 -1.802 -12.912 107 1HB ALA 16 HB1 ALA 16 13.487 -3.645 -15.157 108 2HB ALA 16 HB2 ALA 16 14.547 -2.277 -14.813 109 3HB ALA 16 HB3 ALA 16 12.848 -2.003 -15.199 110 H ASN 17 HN ASN 17 13.443 -5.155 -12.381 111 HA ASN 17 HA ASN 17 10.751 -5.993 -13.052 112 1HB ASN 17 HB2 ASN 17 12.908 -7.573 -11.640 113 2HB ASN 17 HB1 ASN 17 11.457 -8.212 -12.406 114 1HD2 ASN 17 HD21 ASN 17 11.252 -7.643 -14.766 115 2HD2 ASN 17 HD22 ASN 17 12.687 -7.780 -15.716 116 H LEU 18 HN LEU 18 11.999 -4.333 -10.508 117 HA LEU 18 HA LEU 18 10.210 -5.612 -8.554 118 1HB LEU 18 HB2 LEU 18 12.762 -4.086 -8.301 119 2HB LEU 18 HB1 LEU 18 11.609 -4.015 -6.984 120 HG LEU 18 HG LEU 18 11.675 -6.504 -6.852 121 1HD1 LEU 18 HD11 LEU 18 14.009 -6.244 -8.741 122 2HD1 LEU 18 HD12 LEU 18 12.422 -6.873 -9.184 123 3HD1 LEU 18 HD13 LEU 18 13.405 -7.722 -7.992 124 1HD2 LEU 18 HD21 LEU 18 14.445 -6.121 -6.400 125 2HD2 LEU 18 HD22 LEU 18 13.129 -6.099 -5.227 126 3HD2 LEU 18 HD23 LEU 18 13.627 -4.606 -6.020 127 H THR 19 HN THR 19 8.593 -4.329 -10.018 128 HA THR 19 HA THR 19 8.450 -1.510 -9.373 129 HB THR 19 HB THR 19 6.603 -3.276 -10.990 130 HG1 THR 19 HG1 THR 19 8.439 -1.310 -11.867 131 1HG2 THR 19 HG21 THR 19 5.829 -0.931 -9.929 132 2HG2 THR 19 HG22 THR 19 5.268 -1.548 -11.482 133 3HG2 THR 19 HG23 THR 19 6.583 -0.374 -11.422 134 HA PRO 20 HA PRO 20 4.457 -3.067 -7.133 135 1HB PRO 20 HB2 PRO 20 4.303 -5.715 -6.545 136 2HB PRO 20 HB1 PRO 20 3.639 -5.012 -8.024 137 1HG PRO 20 HG2 PRO 20 6.217 -6.466 -7.607 138 2HG PRO 20 HG1 PRO 20 5.060 -6.597 -8.945 139 1HD PRO 20 HD2 PRO 20 7.350 -5.170 -9.124 140 2HD PRO 20 HD1 PRO 20 5.874 -4.717 -9.997 141 H GLU 21 HN GLU 21 7.580 -4.514 -6.504 142 HA GLU 21 HA GLU 21 7.126 -4.768 -3.668 143 1HB GLU 21 HB2 GLU 21 8.685 -6.236 -5.020 144 2HB GLU 21 HB1 GLU 21 9.781 -4.862 -5.097 145 1HG GLU 21 HG2 GLU 21 10.056 -4.860 -2.725 146 2HG GLU 21 HG1 GLU 21 8.796 -6.077 -2.528 147 H GLN 22 HN GLN 22 8.971 -2.593 -5.780 148 HA GLN 22 HA GLN 22 9.925 -0.981 -3.627 149 1HB GLN 22 HB2 GLN 22 9.779 -0.407 -6.591 150 2HB GLN 22 HB1 GLN 22 10.649 0.572 -5.416 151 1HG GLN 22 HG2 GLN 22 11.233 -2.335 -5.912 152 2HG GLN 22 HG1 GLN 22 12.046 -1.017 -6.754 153 1HE2 GLN 22 HE21 GLN 22 14.044 -1.623 -5.904 154 2HE2 GLN 22 HE22 GLN 22 14.468 -1.323 -4.257 155 H GLN 23 HN GLN 23 7.408 -0.534 -6.090 156 HA GLN 23 HA GLN 23 6.536 1.984 -5.288 157 1HB GLN 23 HB2 GLN 23 5.864 0.526 -7.338 158 2HB GLN 23 HB1 GLN 23 4.589 -0.063 -6.281 159 1HG GLN 23 HG2 GLN 23 4.103 2.459 -5.899 160 2HG GLN 23 HG1 GLN 23 5.014 2.674 -7.392 161 1HE2 GLN 23 HE21 GLN 23 4.251 0.548 -8.878 162 2HE2 GLN 23 HE22 GLN 23 2.558 0.624 -9.213 163 H LYS 24 HN LYS 24 5.242 -1.200 -4.310 164 HA LYS 24 HA LYS 24 3.266 -0.325 -2.576 165 1HB LYS 24 HB2 LYS 24 4.928 -2.798 -2.730 166 2HB LYS 24 HB1 LYS 24 3.933 -2.545 -1.305 167 1HG LYS 24 HG2 LYS 24 2.398 -2.035 -3.676 168 2HG LYS 24 HG1 LYS 24 3.159 -3.624 -3.770 169 1HD LYS 24 HD2 LYS 24 2.021 -3.081 -1.146 170 2HD LYS 24 HD1 LYS 24 0.819 -3.009 -2.435 171 1HE LYS 24 HE2 LYS 24 1.978 -5.240 -3.197 172 2HE LYS 24 HE1 LYS 24 2.486 -5.302 -1.508 173 1HZ LYS 24 HZ1 LYS 24 0.506 -6.383 -1.372 174 2HZ LYS 24 HZ2 LYS 24 -0.198 -5.530 -2.653 175 3HZ LYS 24 HZ3 LYS 24 -0.051 -4.802 -1.133 176 H ASN 25 HN ASN 25 6.711 -0.385 -2.151 177 HA ASN 25 HA ASN 25 6.730 -0.156 0.681 178 1HB ASN 25 HB2 ASN 25 8.674 -0.208 -1.470 179 2HB ASN 25 HB1 ASN 25 9.097 0.998 -0.257 180 1HD2 ASN 25 HD21 ASN 25 10.891 -0.767 -0.298 181 2HD2 ASN 25 HD22 ASN 25 10.734 -1.981 0.920 182 H VAL 26 HN VAL 26 7.264 2.270 -1.895 183 HA VAL 26 HA VAL 26 7.531 4.480 -0.224 184 HB VAL 26 HB VAL 26 7.807 4.249 -2.829 185 1HG1 VAL 26 HG11 VAL 26 5.368 3.885 -3.211 186 2HG1 VAL 26 HG12 VAL 26 6.056 5.218 -4.137 187 3HG1 VAL 26 HG13 VAL 26 5.094 5.549 -2.697 188 1HG2 VAL 26 HG21 VAL 26 8.095 6.254 -1.090 189 2HG2 VAL 26 HG22 VAL 26 6.805 6.928 -2.083 190 3HG2 VAL 26 HG23 VAL 26 8.331 6.451 -2.828 191 H LEU 27 HN LEU 27 4.602 3.059 -1.634 192 HA LEU 27 HA LEU 27 2.751 4.962 -0.844 193 1HB LEU 27 HB2 LEU 27 2.583 1.992 -1.232 194 2HB LEU 27 HB1 LEU 27 1.190 2.895 -0.686 195 HG LEU 27 HG LEU 27 0.651 3.280 -2.802 196 1HD1 LEU 27 HD11 LEU 27 1.889 4.839 -4.165 197 2HD1 LEU 27 HD12 LEU 27 3.316 4.638 -3.151 198 3HD1 LEU 27 HD13 LEU 27 1.865 5.394 -2.492 199 1HD2 LEU 27 HD21 LEU 27 2.499 1.305 -3.069 200 2HD2 LEU 27 HD22 LEU 27 3.129 2.539 -4.158 201 3HD2 LEU 27 HD23 LEU 27 1.487 1.929 -4.370 202 H GLY 28 HN GLY 28 3.706 2.006 0.908 203 1HA GLY 28 HA2 GLY 28 2.144 2.451 3.178 204 2HA GLY 28 HA1 GLY 28 3.595 1.464 3.131 205 H GLU 29 HN GLU 29 5.553 3.350 2.619 206 HA GLU 29 HA GLU 29 5.940 4.454 5.189 207 1HB GLU 29 HB2 GLU 29 7.334 4.808 2.547 208 2HB GLU 29 HB1 GLU 29 7.796 5.774 3.941 209 1HG GLU 29 HG2 GLU 29 7.707 2.774 4.011 210 2HG GLU 29 HG1 GLU 29 9.138 3.679 3.517 211 H ARG 30 HN ARG 30 5.172 5.975 2.073 212 HA ARG 30 HA ARG 30 4.831 8.580 3.155 213 1HB ARG 30 HB2 ARG 30 3.712 7.464 0.581 214 2HB ARG 30 HB1 ARG 30 3.914 9.164 0.981 215 1HG ARG 30 HG2 ARG 30 6.366 7.568 1.159 216 2HG ARG 30 HG1 ARG 30 5.674 7.695 -0.460 217 1HD ARG 30 HD2 ARG 30 6.107 9.909 -0.617 218 2HD ARG 30 HD1 ARG 30 5.800 10.198 1.095 219 HE ARG 30 HE ARG 30 8.130 8.806 1.089 220 1HH1 ARG 30 HH11 ARG 30 7.044 11.707 -0.520 221 2HH1 ARG 30 HH12 ARG 30 8.622 12.419 -0.568 222 1HH2 ARG 30 HH21 ARG 30 10.203 9.741 1.028 223 2HH2 ARG 30 HH22 ARG 30 10.417 11.303 0.309 224 H LEU 31 HN LEU 31 2.882 5.795 3.253 225 HA LEU 31 HA LEU 31 0.332 7.088 3.260 226 1HB LEU 31 HB2 LEU 31 1.321 4.450 3.199 227 2HB LEU 31 HB1 LEU 31 0.334 4.569 4.629 228 HG LEU 31 HG LEU 31 -1.181 5.759 2.630 229 1HD1 LEU 31 HD11 LEU 31 0.244 4.899 0.906 230 2HD1 LEU 31 HD12 LEU 31 -1.277 4.003 0.898 231 3HD1 LEU 31 HD13 LEU 31 0.170 3.279 1.601 232 1HD2 LEU 31 HD21 LEU 31 -1.777 2.948 3.060 233 2HD2 LEU 31 HD22 LEU 31 -2.723 4.377 3.473 234 3HD2 LEU 31 HD23 LEU 31 -1.457 3.812 4.562 235 H TYR 32 HN TYR 32 2.126 5.351 5.770 236 HA TYR 32 HA TYR 32 0.619 6.022 7.959 237 1HB TYR 32 HB2 TYR 32 2.717 4.489 7.650 238 2HB TYR 32 HB1 TYR 32 3.621 5.916 8.134 239 HD1 TYR 32 HD1 TYR 32 3.107 6.937 10.408 240 HD2 TYR 32 HD2 TYR 32 1.705 3.096 9.240 241 HE1 TYR 32 HE1 TYR 32 2.758 6.352 12.770 242 HE2 TYR 32 HE2 TYR 32 1.351 2.503 11.599 243 HH TYR 32 HH TYR 32 0.907 3.864 13.795 244 H ASN 33 HN ASN 33 3.035 7.964 6.320 245 HA ASN 33 HA ASN 33 3.296 9.962 8.314 246 1HB ASN 33 HB2 ASN 33 5.055 10.090 6.851 247 2HB ASN 33 HB1 ASN 33 4.081 9.604 5.472 248 1HD2 ASN 33 HD21 ASN 33 2.486 11.288 4.725 249 2HD2 ASN 33 HD22 ASN 33 3.046 12.924 4.693 250 H HIS 34 HN HIS 34 1.122 9.626 5.546 251 HA HIS 34 HA HIS 34 0.061 12.228 5.676 252 1HB HIS 34 HB2 HIS 34 -1.673 11.459 4.260 253 2HB HIS 34 HB1 HIS 34 -0.234 10.583 3.772 254 HD1 HIS 34 HD1 HIS 34 -0.841 8.247 3.202 255 HD2 HIS 34 HD2 HIS 34 -3.133 9.705 6.314 256 HE1 HIS 34 HE1 HIS 34 -2.332 6.338 3.911 257 HE2 HIS 34 HE2 HIS 34 -3.629 7.227 5.860 258 H ILE 35 HN ILE 35 -0.874 9.223 7.185 259 HA ILE 35 HA ILE 35 -3.022 10.530 8.652 260 HB ILE 35 HB ILE 35 -3.722 8.502 7.689 261 1HG1 ILE 35 HG12 ILE 35 -3.193 7.470 10.432 262 2HG1 ILE 35 HG11 ILE 35 -4.129 8.955 10.260 263 1HG2 ILE 35 HG21 ILE 35 -1.278 7.229 8.902 264 2HG2 ILE 35 HG22 ILE 35 -1.609 7.490 7.189 265 3HG2 ILE 35 HG23 ILE 35 -2.584 6.348 8.107 266 1HD1 ILE 35 HD11 ILE 35 -5.311 6.640 10.342 267 2HD1 ILE 35 HD12 ILE 35 -4.875 6.576 8.636 268 3HD1 ILE 35 HD13 ILE 35 -5.881 7.891 9.243 269 H VAL 36 HN VAL 36 0.249 9.565 9.305 270 HA VAL 36 HA VAL 36 -0.020 8.836 11.990 271 HB VAL 36 HB VAL 36 2.109 8.562 10.752 272 1HG1 VAL 36 HG11 VAL 36 2.037 10.908 9.767 273 2HG1 VAL 36 HG12 VAL 36 3.600 10.330 10.336 274 3HG1 VAL 36 HG13 VAL 36 2.668 11.459 11.320 275 1HG2 VAL 36 HG21 VAL 36 2.141 10.007 13.385 276 2HG2 VAL 36 HG22 VAL 36 3.585 9.294 12.668 277 3HG2 VAL 36 HG23 VAL 36 2.212 8.271 13.089 278 H ALA 37 HN ALA 37 0.654 12.063 10.625 279 HA ALA 37 HA ALA 37 0.507 13.357 13.167 280 1HB ALA 37 HB1 ALA 37 0.683 15.420 11.937 281 2HB ALA 37 HB2 ALA 37 0.284 14.599 10.429 282 3HB ALA 37 HB3 ALA 37 1.804 14.245 11.249 283 H ILE 38 HN ILE 38 -1.771 12.439 10.730 284 HA ILE 38 HA ILE 38 -3.843 14.229 11.709 285 HB ILE 38 HB ILE 38 -4.184 11.987 9.727 286 1HG1 ILE 38 HG12 ILE 38 -2.372 13.426 8.967 287 2HG1 ILE 38 HG11 ILE 38 -3.808 13.711 7.985 288 1HG2 ILE 38 HG21 ILE 38 -6.201 13.071 10.775 289 2HG2 ILE 38 HG22 ILE 38 -6.122 13.153 9.015 290 3HG2 ILE 38 HG23 ILE 38 -5.709 14.567 9.983 291 1HD1 ILE 38 HD11 ILE 38 -4.238 15.643 9.662 292 2HD1 ILE 38 HD12 ILE 38 -3.038 15.842 8.383 293 3HD1 ILE 38 HD13 ILE 38 -2.520 15.459 10.026 294 H ASN 39 HN ASN 39 -3.840 10.683 11.226 295 HA ASN 39 HA ASN 39 -5.305 10.450 13.771 296 1HB ASN 39 HB2 ASN 39 -6.355 9.874 11.281 297 2HB ASN 39 HB1 ASN 39 -5.840 8.298 11.867 298 1HD2 ASN 39 HD21 ASN 39 -6.774 7.462 13.757 299 2HD2 ASN 39 HD22 ASN 39 -8.274 8.065 14.369 300 HA PRO 40 HA PRO 40 -1.256 8.183 14.112 301 1HB PRO 40 HB2 PRO 40 -2.042 8.585 16.948 302 2HB PRO 40 HB1 PRO 40 -0.477 8.827 16.168 303 1HG PRO 40 HG2 PRO 40 -2.046 10.892 16.861 304 2HG PRO 40 HG1 PRO 40 -1.029 10.932 15.411 305 1HD PRO 40 HD2 PRO 40 -3.970 10.600 15.654 306 2HD PRO 40 HD1 PRO 40 -3.017 11.333 14.350 307 H ALA 41 HN ALA 41 -4.114 7.782 16.197 308 HA ALA 41 HA ALA 41 -3.596 4.992 16.622 309 1HB ALA 41 HB1 ALA 41 -4.824 5.461 18.408 310 2HB ALA 41 HB2 ALA 41 -6.242 5.505 17.361 311 3HB ALA 41 HB3 ALA 41 -5.357 6.989 17.710 312 H ALA 42 HN ALA 42 -3.657 5.389 13.921 313 HA ALA 42 HA ALA 42 -5.717 3.561 13.123 314 1HB ALA 42 HB1 ALA 42 -5.887 6.435 12.413 315 2HB ALA 42 HB2 ALA 42 -7.172 5.259 12.698 316 3HB ALA 42 HB3 ALA 42 -6.290 5.250 11.169 317 H ALA 43 HN ALA 43 -3.196 5.814 12.108 318 HA ALA 43 HA ALA 43 -2.452 5.075 9.648 319 1HB ALA 43 HB1 ALA 43 -1.244 6.559 11.437 320 2HB ALA 43 HB2 ALA 43 -0.348 5.880 10.078 321 3HB ALA 43 HB3 ALA 43 -0.260 5.115 11.664 322 H ALA 44 HN ALA 44 -1.506 3.252 12.562 323 HA ALA 44 HA ALA 44 -0.058 1.236 11.358 324 1HB ALA 44 HB1 ALA 44 -1.042 1.770 13.920 325 2HB ALA 44 HB2 ALA 44 0.110 0.521 13.451 326 3HB ALA 44 HB3 ALA 44 -1.612 0.151 13.515 327 H LYS 45 HN LYS 45 -3.552 1.459 11.830 328 HA LYS 45 HA LYS 45 -4.085 -1.132 10.729 329 1HB LYS 45 HB2 LYS 45 -5.848 1.227 11.382 330 2HB LYS 45 HB1 LYS 45 -6.472 -0.268 10.701 331 1HG LYS 45 HG2 LYS 45 -4.799 -0.708 13.037 332 2HG LYS 45 HG1 LYS 45 -6.204 0.307 13.370 333 1HD LYS 45 HD2 LYS 45 -7.697 -1.364 12.882 334 2HD LYS 45 HD1 LYS 45 -6.593 -2.170 11.766 335 1HE LYS 45 HE2 LYS 45 -5.387 -2.245 14.317 336 2HE LYS 45 HE1 LYS 45 -7.074 -2.706 14.535 337 1HZ LYS 45 HZ1 LYS 45 -5.945 -3.977 12.253 338 2HZ LYS 45 HZ2 LYS 45 -6.683 -4.669 13.609 339 3HZ LYS 45 HZ3 LYS 45 -5.031 -4.308 13.638 340 H VAL 46 HN VAL 46 -4.447 2.197 9.596 341 HA VAL 46 HA VAL 46 -5.501 1.625 7.067 342 HB VAL 46 HB VAL 46 -3.729 3.980 7.689 343 1HG1 VAL 46 HG11 VAL 46 -5.943 4.728 6.170 344 2HG1 VAL 46 HG12 VAL 46 -5.395 3.202 5.474 345 3HG1 VAL 46 HG13 VAL 46 -4.275 4.560 5.620 346 1HG2 VAL 46 HG21 VAL 46 -6.132 4.984 8.188 347 2HG2 VAL 46 HG22 VAL 46 -5.156 4.224 9.446 348 3HG2 VAL 46 HG23 VAL 46 -6.451 3.317 8.667 349 H THR 47 HN THR 47 -2.139 2.414 7.955 350 HA THR 47 HA THR 47 -1.005 2.098 5.440 351 HB THR 47 HB THR 47 0.297 1.486 8.100 352 HG1 THR 47 HG1 THR 47 -0.450 3.520 8.286 353 1HG2 THR 47 HG21 THR 47 2.200 2.700 6.656 354 2HG2 THR 47 HG22 THR 47 1.348 1.836 5.375 355 3HG2 THR 47 HG23 THR 47 2.007 0.949 6.748 356 H GLY 48 HN GLY 48 -1.212 -0.303 8.064 357 1HA GLY 48 HA2 GLY 48 -0.028 -2.388 6.546 358 2HA GLY 48 HA1 GLY 48 -0.903 -2.579 8.056 359 H MET 49 HN MET 49 -3.403 -1.913 7.577 360 HA MET 49 HA MET 49 -4.391 -4.075 6.050 361 1HB MET 49 HB2 MET 49 -5.914 -1.633 6.979 362 2HB MET 49 HB1 MET 49 -6.599 -3.186 6.519 363 1HG MET 49 HG2 MET 49 -4.733 -2.793 8.841 364 2HG MET 49 HG1 MET 49 -6.491 -2.783 8.966 365 1HE MET 49 HE1 MET 49 -3.807 -6.330 9.210 366 2HE MET 49 HE2 MET 49 -3.744 -4.735 9.960 367 3HE MET 49 HE3 MET 49 -3.286 -4.932 8.268 368 H LEU 50 HN LEU 50 -4.445 -0.567 5.518 369 HA LEU 50 HA LEU 50 -5.282 0.596 3.669 370 1HB LEU 50 HB2 LEU 50 -2.853 0.665 3.635 371 2HB LEU 50 HB1 LEU 50 -2.808 -0.801 2.677 372 HG LEU 50 HG LEU 50 -3.962 0.365 0.840 373 1HD1 LEU 50 HD11 LEU 50 -3.632 3.056 1.385 374 2HD1 LEU 50 HD12 LEU 50 -4.303 2.403 2.880 375 3HD1 LEU 50 HD13 LEU 50 -5.160 2.175 1.355 376 1HD2 LEU 50 HD21 LEU 50 -2.067 1.920 0.271 377 2HD2 LEU 50 HD22 LEU 50 -1.595 0.275 0.695 378 3HD2 LEU 50 HD23 LEU 50 -1.408 1.577 1.869 379 H LEU 51 HN LEU 51 -4.034 -2.399 2.169 380 HA LEU 51 HA LEU 51 -5.895 -2.267 0.039 381 1HB LEU 51 HB2 LEU 51 -4.460 -4.768 0.847 382 2HB LEU 51 HB1 LEU 51 -4.896 -4.222 -0.760 383 HG LEU 51 HG LEU 51 -3.168 -2.248 0.151 384 1HD1 LEU 51 HD11 LEU 51 -2.482 -3.580 2.041 385 2HD1 LEU 51 HD12 LEU 51 -1.170 -3.504 0.868 386 3HD1 LEU 51 HD13 LEU 51 -2.157 -4.960 0.992 387 1HD2 LEU 51 HD21 LEU 51 -3.242 -3.099 -2.109 388 2HD2 LEU 51 HD22 LEU 51 -2.616 -4.659 -1.573 389 3HD2 LEU 51 HD23 LEU 51 -1.598 -3.222 -1.481 390 H GLU 52 HN GLU 52 -7.735 -1.979 1.687 391 HA GLU 52 HA GLU 52 -8.737 -4.472 2.784 392 1HB GLU 52 HB2 GLU 52 -9.589 -1.598 2.923 393 2HB GLU 52 HB1 GLU 52 -10.721 -2.869 3.360 394 1HG GLU 52 HG2 GLU 52 -8.004 -2.549 4.605 395 2HG GLU 52 HG1 GLU 52 -9.480 -1.853 5.267 396 H MET 53 HN MET 53 -11.230 -4.752 2.427 397 HA MET 53 HA MET 53 -11.585 -5.469 -0.264 398 1HB MET 53 HB2 MET 53 -13.555 -5.192 2.004 399 2HB MET 53 HB1 MET 53 -14.000 -5.816 0.422 400 1HG MET 53 HG2 MET 53 -11.995 -7.001 2.327 401 2HG MET 53 HG1 MET 53 -13.592 -7.637 1.937 402 1HE MET 53 HE1 MET 53 -14.172 -8.218 -0.827 403 2HE MET 53 HE2 MET 53 -12.881 -8.176 -2.027 404 3HE MET 53 HE3 MET 53 -13.384 -6.691 -1.221 405 H ASP 54 HN ASP 54 -13.395 -2.970 1.561 406 HA ASP 54 HA ASP 54 -14.155 -1.751 -0.980 407 1HB ASP 54 HB2 ASP 54 -15.946 -2.070 0.584 408 2HB ASP 54 HB1 ASP 54 -15.062 -1.238 1.857 409 H ASN 55 HN ASN 55 -13.263 -0.290 2.148 410 HA ASN 55 HA ASN 55 -12.399 2.139 1.248 411 1HB ASN 55 HB2 ASN 55 -12.547 1.285 3.660 412 2HB ASN 55 HB1 ASN 55 -10.922 0.658 3.420 413 1HD2 ASN 55 HD21 ASN 55 -9.207 2.080 3.186 414 2HD2 ASN 55 HD22 ASN 55 -9.328 3.745 3.629 415 H GLY 56 HN GLY 56 -10.762 -0.923 1.039 416 1HA GLY 56 HA2 GLY 56 -8.170 0.045 0.459 417 2HA GLY 56 HA1 GLY 56 -8.778 -1.559 0.089 418 H GLU 57 HN GLU 57 -10.622 -1.337 -1.788 419 HA GLU 57 HA GLU 57 -9.401 -1.086 -4.162 420 1HB GLU 57 HB2 GLU 57 -12.197 -0.069 -3.669 421 2HB GLU 57 HB1 GLU 57 -11.530 -0.590 -5.211 422 1HG GLU 57 HG2 GLU 57 -11.843 -2.348 -2.804 423 2HG GLU 57 HG1 GLU 57 -12.981 -2.278 -4.145 424 H ILE 58 HN ILE 58 -11.026 1.661 -2.591 425 HA ILE 58 HA ILE 58 -10.497 3.608 -4.494 426 HB ILE 58 HB ILE 58 -10.689 3.860 -1.490 427 1HG1 ILE 58 HG12 ILE 58 -12.735 4.486 -3.623 428 2HG1 ILE 58 HG11 ILE 58 -12.661 2.954 -2.757 429 1HG2 ILE 58 HG21 ILE 58 -10.963 6.209 -1.716 430 2HG2 ILE 58 HG22 ILE 58 -11.011 6.102 -3.476 431 3HG2 ILE 58 HG23 ILE 58 -9.504 5.790 -2.615 432 1HD1 ILE 58 HD11 ILE 58 -12.773 5.422 -1.132 433 2HD1 ILE 58 HD12 ILE 58 -13.498 3.840 -0.850 434 3HD1 ILE 58 HD13 ILE 58 -14.231 4.950 -2.006 435 H LEU 59 HN LEU 59 -8.525 2.573 -1.740 436 HA LEU 59 HA LEU 59 -6.484 4.310 -1.666 437 1HB LEU 59 HB2 LEU 59 -5.258 2.702 -0.609 438 2HB LEU 59 HB1 LEU 59 -6.860 2.014 -0.489 439 HG LEU 59 HG LEU 59 -6.170 0.793 -2.722 440 1HD1 LEU 59 HD11 LEU 59 -3.578 0.235 -2.041 441 2HD1 LEU 59 HD12 LEU 59 -3.670 1.973 -1.759 442 3HD1 LEU 59 HD13 LEU 59 -4.081 1.313 -3.342 443 1HD2 LEU 59 HD21 LEU 59 -5.881 0.180 0.111 444 2HD2 LEU 59 HD22 LEU 59 -4.836 -0.795 -0.923 445 3HD2 LEU 59 HD23 LEU 59 -6.580 -0.778 -1.193 446 H ASN 60 HN ASN 60 -6.994 1.918 -4.180 447 HA ASN 60 HA ASN 60 -4.579 1.871 -5.471 448 1HB ASN 60 HB2 ASN 60 -7.101 0.958 -6.037 449 2HB ASN 60 HB1 ASN 60 -6.839 2.125 -7.329 450 1HD2 ASN 60 HD21 ASN 60 -6.654 -1.006 -6.687 451 2HD2 ASN 60 HD22 ASN 60 -5.336 -1.473 -7.703 452 H LEU 61 HN LEU 61 -6.750 4.557 -5.230 453 HA LEU 61 HA LEU 61 -5.083 6.046 -7.151 454 1HB LEU 61 HB2 LEU 61 -7.990 6.432 -6.460 455 2HB LEU 61 HB1 LEU 61 -7.065 7.520 -7.472 456 HG LEU 61 HG LEU 61 -6.754 4.918 -8.540 457 1HD1 LEU 61 HD11 LEU 61 -9.265 4.639 -9.118 458 2HD1 LEU 61 HD12 LEU 61 -9.524 5.540 -7.623 459 3HD1 LEU 61 HD13 LEU 61 -8.647 4.010 -7.592 460 1HD2 LEU 61 HD21 LEU 61 -7.205 7.499 -9.420 461 2HD2 LEU 61 HD22 LEU 61 -8.642 6.620 -9.939 462 3HD2 LEU 61 HD23 LEU 61 -7.042 6.064 -10.429 463 H LEU 62 HN LEU 62 -4.014 5.972 -4.734 464 HA LEU 62 HA LEU 62 -4.574 7.373 -2.590 465 1HB LEU 62 HB2 LEU 62 -2.060 7.776 -4.192 466 2HB LEU 62 HB1 LEU 62 -2.246 8.228 -2.508 467 HG LEU 62 HG LEU 62 -2.836 5.417 -3.198 468 1HD1 LEU 62 HD11 LEU 62 -0.275 6.690 -3.798 469 2HD1 LEU 62 HD12 LEU 62 -0.937 5.147 -4.343 470 3HD1 LEU 62 HD13 LEU 62 -0.156 5.264 -2.767 471 1HD2 LEU 62 HD21 LEU 62 -1.101 6.459 -0.993 472 2HD2 LEU 62 HD22 LEU 62 -2.071 4.986 -1.042 473 3HD2 LEU 62 HD23 LEU 62 -2.859 6.557 -0.891 474 H ASP 63 HN ASP 63 -6.164 8.920 -2.837 475 HA ASP 63 HA ASP 63 -5.350 11.439 -4.131 476 1HB ASP 63 HB2 ASP 63 -7.838 9.928 -4.124 477 2HB ASP 63 HB1 ASP 63 -8.087 11.608 -3.659 478 H THR 64 HN THR 64 -6.483 13.414 -3.122 479 HA THR 64 HA THR 64 -5.675 13.527 -0.382 480 HB THR 64 HB THR 64 -7.246 15.813 -1.106 481 HG1 THR 64 HG1 THR 64 -5.275 15.111 -3.018 482 1HG2 THR 64 HG21 THR 64 -4.513 15.207 -0.282 483 2HG2 THR 64 HG22 THR 64 -5.578 16.538 0.176 484 3HG2 THR 64 HG23 THR 64 -4.663 16.617 -1.329 485 HA PRO 65 HA PRO 65 -10.370 14.077 0.479 486 1HB PRO 65 HB2 PRO 65 -12.096 13.352 -1.521 487 2HB PRO 65 HB1 PRO 65 -11.556 15.008 -1.232 488 1HG PRO 65 HG2 PRO 65 -10.675 13.058 -3.295 489 2HG PRO 65 HG1 PRO 65 -10.802 14.821 -3.390 490 1HD PRO 65 HD2 PRO 65 -8.445 13.444 -3.064 491 2HD PRO 65 HD1 PRO 65 -8.694 15.133 -2.581 492 H GLY 66 HN GLY 66 -10.562 11.593 -2.066 493 1HA GLY 66 HA2 GLY 66 -11.911 9.659 -0.696 494 2HA GLY 66 HA1 GLY 66 -10.727 9.303 -1.944 495 H LEU 67 HN LEU 67 -8.360 9.506 -1.079 496 HA LEU 67 HA LEU 67 -7.865 7.443 0.681 497 1HB LEU 67 HB2 LEU 67 -6.383 9.363 -0.739 498 2HB LEU 67 HB1 LEU 67 -5.815 9.458 0.914 499 HG LEU 67 HG LEU 67 -4.600 7.901 -0.723 500 1HD1 LEU 67 HD11 LEU 67 -5.549 6.806 1.910 501 2HD1 LEU 67 HD12 LEU 67 -4.227 7.948 1.693 502 3HD1 LEU 67 HD13 LEU 67 -4.101 6.315 1.036 503 1HD2 LEU 67 HD21 LEU 67 -7.073 6.892 -1.184 504 2HD2 LEU 67 HD22 LEU 67 -6.461 5.753 0.016 505 3HD2 LEU 67 HD23 LEU 67 -5.570 6.021 -1.481 506 H LEU 68 HN LEU 68 -7.163 10.834 1.577 507 HA LEU 68 HA LEU 68 -6.850 10.513 4.260 508 1HB LEU 68 HB2 LEU 68 -7.546 12.738 2.539 509 2HB LEU 68 HB1 LEU 68 -8.232 12.918 4.137 510 HG LEU 68 HG LEU 68 -6.069 12.838 5.161 511 1HD1 LEU 68 HD11 LEU 68 -4.830 12.427 2.451 512 2HD1 LEU 68 HD12 LEU 68 -5.162 11.106 3.568 513 3HD1 LEU 68 HD13 LEU 68 -4.041 12.387 4.028 514 1HD2 LEU 68 HD21 LEU 68 -4.944 14.755 4.033 515 2HD2 LEU 68 HD22 LEU 68 -6.664 15.005 4.343 516 3HD2 LEU 68 HD23 LEU 68 -6.110 14.599 2.718 517 H ASP 69 HN ASP 69 -9.989 11.122 2.674 518 HA ASP 69 HA ASP 69 -11.507 11.086 5.040 519 1HB ASP 69 HB2 ASP 69 -12.250 11.829 2.709 520 2HB ASP 69 HB1 ASP 69 -12.511 10.122 2.360 521 H ALA 70 HN ALA 70 -10.869 8.517 2.678 522 HA ALA 70 HA ALA 70 -12.135 6.472 4.181 523 1HB ALA 70 HB1 ALA 70 -10.516 6.619 1.721 524 2HB ALA 70 HB2 ALA 70 -12.056 5.815 2.025 525 3HB ALA 70 HB3 ALA 70 -10.548 5.065 2.550 526 H LYS 71 HN LYS 71 -9.270 8.063 4.832 527 HA LYS 71 HA LYS 71 -7.693 5.828 5.688 528 1HB LYS 71 HB2 LYS 71 -7.449 8.788 6.190 529 2HB LYS 71 HB1 LYS 71 -6.304 7.612 6.816 530 1HG LYS 71 HG2 LYS 71 -6.885 8.130 3.914 531 2HG LYS 71 HG1 LYS 71 -5.474 8.683 4.798 532 1HD LYS 71 HD2 LYS 71 -4.669 6.801 3.741 533 2HD LYS 71 HD1 LYS 71 -5.145 6.166 5.311 534 1HE LYS 71 HE2 LYS 71 -6.959 5.036 4.454 535 2HE LYS 71 HE1 LYS 71 -7.134 6.144 3.096 536 1HZ LYS 71 HZ1 LYS 71 -5.641 3.711 3.285 537 2HZ LYS 71 HZ2 LYS 71 -4.709 4.988 2.683 538 3HZ LYS 71 HZ3 LYS 71 -6.153 4.557 1.913 539 H VAL 72 HN VAL 72 -9.368 8.414 7.452 540 HA VAL 72 HA VAL 72 -8.974 7.128 9.976 541 HB VAL 72 HB VAL 72 -10.408 8.910 10.887 542 1HG1 VAL 72 HG11 VAL 72 -8.529 10.204 8.949 543 2HG1 VAL 72 HG12 VAL 72 -7.915 9.150 10.224 544 3HG1 VAL 72 HG13 VAL 72 -8.833 10.599 10.641 545 1HG2 VAL 72 HG21 VAL 72 -10.717 9.721 7.996 546 2HG2 VAL 72 HG22 VAL 72 -11.213 10.692 9.382 547 3HG2 VAL 72 HG23 VAL 72 -11.993 9.143 9.067 548 H GLN 73 HN GLN 73 -11.775 7.554 7.824 549 HA GLN 73 HA GLN 73 -13.753 6.496 9.421 550 1HB GLN 73 HB2 GLN 73 -13.434 6.154 6.435 551 2HB GLN 73 HB1 GLN 73 -14.926 5.912 7.334 552 1HG GLN 73 HG2 GLN 73 -13.433 8.479 6.901 553 2HG GLN 73 HG1 GLN 73 -15.043 8.050 6.326 554 1HE2 GLN 73 HE21 GLN 73 -13.977 10.253 8.059 555 2HE2 GLN 73 HE22 GLN 73 -14.968 10.213 9.471 556 H GLU 74 HN GLU 74 -11.792 4.670 7.058 557 HA GLU 74 HA GLU 74 -12.835 2.151 7.732 558 1HB GLU 74 HB2 GLU 74 -11.693 2.462 5.656 559 2HB GLU 74 HB1 GLU 74 -10.215 2.955 6.466 560 1HG GLU 74 HG2 GLU 74 -10.750 0.428 7.483 561 2HG GLU 74 HG1 GLU 74 -11.164 0.314 5.774 562 H ALA 75 HN ALA 75 -9.922 3.835 8.879 563 HA ALA 75 HA ALA 75 -9.014 1.721 10.522 564 1HB ALA 75 HB1 ALA 75 -7.956 4.080 9.709 565 2HB ALA 75 HB2 ALA 75 -7.285 3.072 10.991 566 3HB ALA 75 HB3 ALA 75 -8.329 4.435 11.396 567 H LEU 76 HN LEU 76 -11.296 4.327 11.029 568 HA LEU 76 HA LEU 76 -11.457 3.854 13.875 569 1HB LEU 76 HB2 LEU 76 -12.970 5.645 11.990 570 2HB LEU 76 HB1 LEU 76 -13.406 5.486 13.681 571 HG LEU 76 HG LEU 76 -10.774 6.496 12.611 572 1HD1 LEU 76 HD11 LEU 76 -12.932 7.968 14.107 573 2HD1 LEU 76 HD12 LEU 76 -12.707 8.032 12.358 574 3HD1 LEU 76 HD13 LEU 76 -11.449 8.644 13.433 575 1HD2 LEU 76 HD21 LEU 76 -11.737 6.273 15.459 576 2HD2 LEU 76 HD22 LEU 76 -10.214 6.985 14.925 577 3HD2 LEU 76 HD23 LEU 76 -10.502 5.260 14.710 578 H GLU 77 HN GLU 77 -13.179 2.938 10.980 579 HA GLU 77 HA GLU 77 -15.531 1.960 12.218 580 1HB GLU 77 HB2 GLU 77 -14.727 2.306 9.631 581 2HB GLU 77 HB1 GLU 77 -14.626 0.561 9.787 582 1HG GLU 77 HG2 GLU 77 -16.976 0.571 10.608 583 2HG GLU 77 HG1 GLU 77 -17.043 2.291 10.227 584 H VAL 78 HN VAL 78 -12.523 0.384 11.188 585 HA VAL 78 HA VAL 78 -13.176 -2.221 11.922 586 HB VAL 78 HB VAL 78 -11.221 -1.674 10.552 587 1HG1 VAL 78 HG11 VAL 78 -9.232 -0.735 11.432 588 2HG1 VAL 78 HG12 VAL 78 -9.852 -0.796 13.082 589 3HG1 VAL 78 HG13 VAL 78 -10.557 0.323 11.916 590 1HG2 VAL 78 HG21 VAL 78 -9.567 -3.172 11.818 591 2HG2 VAL 78 HG22 VAL 78 -11.144 -3.842 11.400 592 3HG2 VAL 78 HG23 VAL 78 -10.826 -3.289 13.045 593 H LEU 79 HN LEU 79 -12.007 0.472 13.864 594 HA LEU 79 HA LEU 79 -11.313 -1.009 16.171 595 1HB LEU 79 HB2 LEU 79 -10.801 1.449 15.645 596 2HB LEU 79 HB1 LEU 79 -12.425 1.790 16.211 597 HG LEU 79 HG LEU 79 -11.820 0.778 18.409 598 1HD1 LEU 79 HD11 LEU 79 -9.302 0.647 18.817 599 2HD1 LEU 79 HD12 LEU 79 -9.152 0.546 17.063 600 3HD1 LEU 79 HD13 LEU 79 -10.059 -0.684 17.943 601 1HD2 LEU 79 HD21 LEU 79 -10.524 2.669 19.190 602 2HD2 LEU 79 HD22 LEU 79 -11.727 3.207 18.020 603 3HD2 LEU 79 HD23 LEU 79 -10.037 3.051 17.540 604 H ASN 80 HN ASN 80 -14.228 0.945 15.545 605 HA ASN 80 HA ASN 80 -15.673 -0.375 17.672 606 1HB ASN 80 HB2 ASN 80 -16.252 1.864 15.770 607 2HB ASN 80 HB1 ASN 80 -17.598 1.058 16.569 608 1HD2 ASN 80 HD21 ASN 80 -15.128 3.351 16.849 609 2HD2 ASN 80 HD22 ASN 80 -15.344 3.735 18.520 610 H ARG 81 HN ARG 81 -14.796 -1.686 14.950 611 HA ARG 81 HA ARG 81 -17.300 -2.504 13.808 612 1HB ARG 81 HB2 ARG 81 -14.487 -2.797 13.190 613 2HB ARG 81 HB1 ARG 81 -15.334 -4.327 13.000 614 1HG ARG 81 HG2 ARG 81 -16.432 -1.821 11.792 615 2HG ARG 81 HG1 ARG 81 -15.150 -2.730 10.987 616 1HD ARG 81 HD2 ARG 81 -17.380 -4.375 11.933 617 2HD ARG 81 HD1 ARG 81 -17.829 -3.189 10.711 618 HE ARG 81 HE ARG 81 -16.416 -4.254 9.173 619 1HH1 ARG 81 HH11 ARG 81 -16.391 -5.861 12.279 620 2HH1 ARG 81 HH12 ARG 81 -15.684 -7.313 11.658 621 1HH2 ARG 81 HH21 ARG 81 -15.485 -6.165 8.365 622 2HH2 ARG 81 HH22 ARG 81 -15.168 -7.487 9.441 623 H HIS 82 HN HIS 82 -16.592 -3.032 16.718 624 HA HIS 82 HA HIS 82 -16.368 -5.850 17.014 625 1HB HIS 82 HB2 HIS 82 -16.306 -3.535 18.676 626 2HB HIS 82 HB1 HIS 82 -17.522 -4.635 19.329 627 HD1 HIS 82 HD1 HIS 82 -16.603 -6.240 20.956 628 HD2 HIS 82 HD2 HIS 82 -13.759 -5.104 18.148 629 HE1 HIS 82 HE1 HIS 82 -14.492 -7.435 21.618 630 HE2 HIS 82 HE2 HIS 82 -12.760 -6.656 19.961 631 H MET 83 HN MET 83 -19.043 -3.530 17.242 632 HA MET 83 HA MET 83 -20.998 -5.556 17.791 633 1HB MET 83 HB2 MET 83 -20.884 -2.698 17.796 634 2HB MET 83 HB1 MET 83 -22.253 -3.203 16.817 635 1HG MET 83 HG2 MET 83 -22.811 -4.742 18.813 636 2HG MET 83 HG1 MET 83 -21.727 -3.686 19.716 637 1HE MET 83 HE1 MET 83 -23.272 -0.224 19.148 638 2HE MET 83 HE2 MET 83 -21.789 -1.178 19.203 639 3HE MET 83 HE3 MET 83 -22.796 -1.030 20.644 640 H ASN 84 HN ASN 84 -22.600 -6.342 16.422 641 HA ASN 84 HA ASN 84 -21.839 -6.476 13.633 642 1HB ASN 84 HB2 ASN 84 -22.777 -8.382 15.185 643 2HB ASN 84 HB1 ASN 84 -24.338 -7.729 14.702 644 1HD2 ASN 84 HD21 ASN 84 -24.515 -7.357 12.270 645 2HD2 ASN 84 HD22 ASN 84 -23.934 -8.636 11.266 646 H VAL 85 HN VAL 85 -24.258 -4.916 15.594 647 HA VAL 85 HA VAL 85 -25.694 -4.011 13.201 648 HB VAL 85 HB VAL 85 -26.508 -3.469 16.050 649 1HG1 VAL 85 HG11 VAL 85 -28.760 -3.329 15.004 650 2HG1 VAL 85 HG12 VAL 85 -27.992 -3.514 13.427 651 3HG1 VAL 85 HG13 VAL 85 -27.630 -2.106 14.425 652 1HG2 VAL 85 HG21 VAL 85 -28.017 -5.434 15.836 653 2HG2 VAL 85 HG22 VAL 85 -26.305 -5.860 15.889 654 3HG2 VAL 85 HG23 VAL 85 -27.169 -5.872 14.352 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 16.235 -3.483 -29.779 2 2H GLY 1 HT2 GLY 1 17.500 -4.058 -28.815 3 3H GLY 1 HT3 GLY 1 16.306 -5.123 -29.366 4 1HA GLY 1 HA1 GLY 1 18.312 -5.415 -30.654 5 2HA GLY 1 HA2 GLY 1 17.012 -4.782 -31.654 6 H SER 2 HN SER 2 17.434 -3.040 -32.846 7 HA SER 2 HA SER 2 20.022 -1.829 -32.743 8 1HB SER 2 HB2 SER 2 17.614 -0.902 -34.325 9 2HB SER 2 HB1 SER 2 19.311 -0.544 -34.655 10 HG SER 2 HG SER 2 18.018 -3.062 -34.818 11 H SER 3 HN SER 3 16.835 -1.010 -31.585 12 HA SER 3 HA SER 3 17.837 1.589 -30.637 13 1HB SER 3 HB2 SER 3 14.939 0.884 -30.505 14 2HB SER 3 HB1 SER 3 15.703 2.447 -30.794 15 HG SER 3 HG SER 3 16.396 1.397 -32.867 16 H LEU 4 HN LEU 4 18.803 1.110 -28.721 17 HA LEU 4 HA LEU 4 17.814 -0.770 -26.849 18 1HB LEU 4 HB2 LEU 4 19.830 1.447 -26.714 19 2HB LEU 4 HB1 LEU 4 19.380 0.561 -25.271 20 HG LEU 4 HG LEU 4 21.426 -0.340 -26.221 21 1HD1 LEU 4 HD11 LEU 4 19.672 -1.818 -25.145 22 2HD1 LEU 4 HD12 LEU 4 20.860 -2.622 -26.168 23 3HD1 LEU 4 HD13 LEU 4 19.234 -2.316 -26.779 24 1HD2 LEU 4 HD21 LEU 4 21.121 0.287 -28.535 25 2HD2 LEU 4 HD22 LEU 4 19.766 -0.827 -28.690 26 3HD2 LEU 4 HD23 LEU 4 21.392 -1.450 -28.420 27 H ALA 5 HN ALA 5 16.803 -0.434 -24.839 28 HA ALA 5 HA ALA 5 14.941 1.795 -24.838 29 1HB ALA 5 HB1 ALA 5 13.766 0.610 -23.117 30 2HB ALA 5 HB2 ALA 5 15.124 -0.490 -22.879 31 3HB ALA 5 HB3 ALA 5 14.202 -0.540 -24.382 32 H SER 6 HN SER 6 17.305 2.920 -24.478 33 HA SER 6 HA SER 6 17.990 3.119 -21.674 34 1HB SER 6 HB2 SER 6 19.009 4.850 -23.933 35 2HB SER 6 HB1 SER 6 19.777 4.548 -22.375 36 HG SER 6 HG SER 6 19.298 2.575 -24.360 37 H GLN 7 HN GLN 7 16.322 4.044 -20.561 38 HA GLN 7 HA GLN 7 15.126 6.507 -21.549 39 1HB GLN 7 HB2 GLN 7 13.942 4.474 -20.352 40 2HB GLN 7 HB1 GLN 7 14.434 5.324 -18.894 41 1HG GLN 7 HG2 GLN 7 13.107 7.171 -19.371 42 2HG GLN 7 HG1 GLN 7 12.949 6.737 -21.071 43 1HE2 GLN 7 HE21 GLN 7 11.145 5.769 -21.667 44 2HE2 GLN 7 HE22 GLN 7 10.018 4.987 -20.615 45 H GLY 8 HN GLY 8 16.227 5.571 -18.282 46 1HA GLY 8 HA2 GLY 8 17.277 8.312 -17.990 47 2HA GLY 8 HA1 GLY 8 16.714 7.310 -16.664 48 H GLN 9 HN GLN 9 18.164 6.158 -15.551 49 HA GLN 9 HA GLN 9 20.921 6.129 -16.559 50 1HB GLN 9 HB2 GLN 9 19.756 5.981 -13.786 51 2HB GLN 9 HB1 GLN 9 21.431 5.571 -14.110 52 1HG GLN 9 HG2 GLN 9 20.680 8.126 -15.258 53 2HG GLN 9 HG1 GLN 9 20.445 8.069 -13.512 54 1HE2 GLN 9 HE21 GLN 9 22.707 8.182 -16.082 55 2HE2 GLN 9 HE22 GLN 9 24.139 8.257 -15.119 56 H ASN 10 HN ASN 10 22.035 4.126 -15.097 57 HA ASN 10 HA ASN 10 21.305 1.828 -16.539 58 1HB ASN 10 HB2 ASN 10 23.297 2.539 -14.515 59 2HB ASN 10 HB1 ASN 10 22.768 0.863 -14.418 60 1HD2 ASN 10 HD21 ASN 10 23.104 -0.507 -16.197 61 2HD2 ASN 10 HD22 ASN 10 24.286 -0.142 -17.402 62 H LEU 11 HN LEU 11 21.362 2.040 -13.005 63 HA LEU 11 HA LEU 11 19.706 -0.112 -12.499 64 1HB LEU 11 HB2 LEU 11 19.363 0.837 -10.275 65 2HB LEU 11 HB1 LEU 11 21.040 0.943 -10.773 66 HG LEU 11 HG LEU 11 20.170 3.376 -11.563 67 1HD1 LEU 11 HD11 LEU 11 18.904 3.994 -9.264 68 2HD1 LEU 11 HD12 LEU 11 18.255 2.380 -9.563 69 3HD1 LEU 11 HD13 LEU 11 18.078 3.641 -10.781 70 1HD2 LEU 11 HD21 LEU 11 22.143 2.975 -10.228 71 2HD2 LEU 11 HD22 LEU 11 21.150 2.582 -8.825 72 3HD2 LEU 11 HD23 LEU 11 21.158 4.224 -9.466 73 H SER 12 HN SER 12 18.838 3.067 -13.566 74 HA SER 12 HA SER 12 16.245 3.344 -12.668 75 1HB SER 12 HB2 SER 12 17.201 5.149 -13.882 76 2HB SER 12 HB1 SER 12 17.509 4.136 -15.291 77 HG SER 12 HG SER 12 15.692 5.259 -15.773 78 H THR 13 HN THR 13 17.212 1.853 -15.769 79 HA THR 13 HA THR 13 14.596 0.843 -16.279 80 HB THR 13 HB THR 13 17.004 -0.345 -17.584 81 HG1 THR 13 HG1 THR 13 17.710 1.557 -18.072 82 1HG2 THR 13 HG21 THR 13 14.218 0.307 -18.362 83 2HG2 THR 13 HG22 THR 13 15.178 -1.137 -18.681 84 3HG2 THR 13 HG23 THR 13 15.469 0.337 -19.603 85 H VAL 14 HN VAL 14 17.523 -0.482 -14.847 86 HA VAL 14 HA VAL 14 16.790 -3.190 -14.825 87 HB VAL 14 HB VAL 14 18.464 -1.772 -12.746 88 1HG1 VAL 14 HG11 VAL 14 17.591 -4.223 -12.464 89 2HG1 VAL 14 HG12 VAL 14 19.268 -3.828 -12.093 90 3HG1 VAL 14 HG13 VAL 14 18.862 -4.595 -13.628 91 1HG2 VAL 14 HG21 VAL 14 19.693 -1.236 -14.573 92 2HG2 VAL 14 HG22 VAL 14 19.012 -2.534 -15.550 93 3HG2 VAL 14 HG23 VAL 14 20.276 -2.888 -14.372 94 H LEU 15 HN LEU 15 16.271 -0.625 -12.426 95 HA LEU 15 HA LEU 15 14.811 -2.373 -10.665 96 1HB LEU 15 HB2 LEU 15 15.907 0.300 -10.571 97 2HB LEU 15 HB1 LEU 15 14.271 0.278 -9.943 98 HG LEU 15 HG LEU 15 14.883 -1.423 -8.312 99 1HD1 LEU 15 HD11 LEU 15 17.769 -1.191 -8.928 100 2HD1 LEU 15 HD12 LEU 15 16.797 -2.221 -9.979 101 3HD1 LEU 15 HD13 LEU 15 16.857 -2.538 -8.246 102 1HD2 LEU 15 HD21 LEU 15 16.412 -0.080 -6.943 103 2HD2 LEU 15 HD22 LEU 15 15.153 0.907 -7.684 104 3HD2 LEU 15 HD23 LEU 15 16.786 0.916 -8.350 105 H ALA 16 HN ALA 16 14.037 -0.878 -13.532 106 HA ALA 16 HA ALA 16 11.438 0.102 -13.029 107 1HB ALA 16 HB1 ALA 16 12.020 -1.034 -15.694 108 2HB ALA 16 HB2 ALA 16 13.080 0.257 -15.131 109 3HB ALA 16 HB3 ALA 16 11.342 0.530 -15.249 110 H ASN 17 HN ASN 17 12.668 -3.084 -13.194 111 HA ASN 17 HA ASN 17 10.167 -4.307 -13.980 112 1HB ASN 17 HB2 ASN 17 12.739 -5.118 -14.216 113 2HB ASN 17 HB1 ASN 17 12.282 -5.970 -12.745 114 1HD2 ASN 17 HD21 ASN 17 12.945 -7.495 -14.784 115 2HD2 ASN 17 HD22 ASN 17 11.563 -8.223 -15.519 116 H LEU 18 HN LEU 18 11.661 -3.263 -11.079 117 HA LEU 18 HA LEU 18 9.777 -4.860 -9.478 118 1HB LEU 18 HB2 LEU 18 12.162 -3.387 -8.390 119 2HB LEU 18 HB1 LEU 18 11.240 -4.669 -7.630 120 HG LEU 18 HG LEU 18 13.312 -5.616 -8.262 121 1HD1 LEU 18 HD11 LEU 18 12.183 -7.424 -8.872 122 2HD1 LEU 18 HD12 LEU 18 12.286 -6.864 -10.541 123 3HD1 LEU 18 HD13 LEU 18 10.883 -6.452 -9.557 124 1HD2 LEU 18 HD21 LEU 18 13.150 -5.119 -11.146 125 2HD2 LEU 18 HD22 LEU 18 14.534 -5.052 -10.056 126 3HD2 LEU 18 HD23 LEU 18 13.434 -3.680 -10.169 127 H THR 19 HN THR 19 8.653 -2.759 -10.750 128 HA THR 19 HA THR 19 8.704 -0.397 -9.109 129 HB THR 19 HB THR 19 6.923 -1.194 -11.418 130 HG1 THR 19 HG1 THR 19 8.276 0.021 -12.625 131 1HG2 THR 19 HG21 THR 19 7.240 1.534 -10.189 132 2HG2 THR 19 HG22 THR 19 5.831 0.491 -9.993 133 3HG2 THR 19 HG23 THR 19 6.257 1.108 -11.590 134 HA PRO 20 HA PRO 20 4.263 -1.983 -7.974 135 1HB PRO 20 HB2 PRO 20 3.851 -4.669 -8.205 136 2HB PRO 20 HB1 PRO 20 3.425 -3.502 -9.462 137 1HG PRO 20 HG2 PRO 20 5.818 -5.281 -9.254 138 2HG PRO 20 HG1 PRO 20 4.838 -4.880 -10.678 139 1HD PRO 20 HD2 PRO 20 7.231 -3.732 -10.182 140 2HD PRO 20 HD1 PRO 20 5.919 -2.872 -11.010 141 H GLU 21 HN GLU 21 6.971 -4.213 -7.498 142 HA GLU 21 HA GLU 21 6.177 -5.142 -4.950 143 1HB GLU 21 HB2 GLU 21 7.831 -6.323 -6.315 144 2HB GLU 21 HB1 GLU 21 8.938 -4.965 -6.170 145 1HG GLU 21 HG2 GLU 21 8.816 -5.360 -3.653 146 2HG GLU 21 HG1 GLU 21 8.072 -6.906 -4.057 147 H GLN 22 HN GLN 22 8.254 -2.474 -5.987 148 HA GLN 22 HA GLN 22 8.935 -1.695 -3.316 149 1HB GLN 22 HB2 GLN 22 9.204 -0.140 -5.894 150 2HB GLN 22 HB1 GLN 22 9.993 0.239 -4.369 151 1HG GLN 22 HG2 GLN 22 10.425 -2.342 -5.838 152 2HG GLN 22 HG1 GLN 22 11.408 -0.905 -6.103 153 1HE2 GLN 22 HE21 GLN 22 12.352 -3.407 -5.178 154 2HE2 GLN 22 HE22 GLN 22 12.977 -3.178 -3.583 155 H GLN 23 HN GLN 23 6.688 -0.524 -5.784 156 HA GLN 23 HA GLN 23 5.763 1.793 -4.678 157 1HB GLN 23 HB2 GLN 23 4.984 0.338 -6.786 158 2HB GLN 23 HB1 GLN 23 3.665 -0.048 -5.689 159 1HG GLN 23 HG2 GLN 23 3.641 2.576 -5.375 160 2HG GLN 23 HG1 GLN 23 4.380 2.526 -6.975 161 1HE2 GLN 23 HE21 GLN 23 1.817 0.671 -5.362 162 2HE2 GLN 23 HE22 GLN 23 0.633 0.908 -6.598 163 H LYS 24 HN LYS 24 4.666 -1.488 -3.856 164 HA LYS 24 HA LYS 24 2.705 -0.739 -2.006 165 1HB LYS 24 HB2 LYS 24 4.392 -3.245 -1.974 166 2HB LYS 24 HB1 LYS 24 2.844 -3.024 -1.171 167 1HG LYS 24 HG2 LYS 24 3.026 -2.632 -4.119 168 2HG LYS 24 HG1 LYS 24 2.986 -4.266 -3.457 169 1HD LYS 24 HD2 LYS 24 0.741 -3.793 -3.858 170 2HD LYS 24 HD1 LYS 24 0.926 -3.447 -2.137 171 1HE LYS 24 HE2 LYS 24 1.544 -1.094 -3.640 172 2HE LYS 24 HE1 LYS 24 -0.008 -1.733 -4.181 173 1HZ LYS 24 HZ1 LYS 24 0.669 -0.438 -1.719 174 2HZ LYS 24 HZ2 LYS 24 -0.145 -1.900 -1.466 175 3HZ LYS 24 HZ3 LYS 24 -0.850 -0.694 -2.420 176 H ASN 25 HN ASN 25 6.144 -1.539 -1.499 177 HA ASN 25 HA ASN 25 6.147 -1.292 1.289 178 1HB ASN 25 HB2 ASN 25 8.195 -1.230 -0.850 179 2HB ASN 25 HB1 ASN 25 8.655 -0.483 0.677 180 1HD2 ASN 25 HD21 ASN 25 9.768 -1.822 1.886 181 2HD2 ASN 25 HD22 ASN 25 9.490 -3.518 2.059 182 H VAL 26 HN VAL 26 7.102 1.144 -1.148 183 HA VAL 26 HA VAL 26 7.477 3.255 0.640 184 HB VAL 26 HB VAL 26 8.027 3.091 -1.896 185 1HG1 VAL 26 HG11 VAL 26 6.470 4.386 -3.316 186 2HG1 VAL 26 HG12 VAL 26 5.288 4.337 -2.011 187 3HG1 VAL 26 HG13 VAL 26 5.816 2.841 -2.783 188 1HG2 VAL 26 HG21 VAL 26 7.054 5.780 -1.015 189 2HG2 VAL 26 HG22 VAL 26 8.497 5.365 -1.939 190 3HG2 VAL 26 HG23 VAL 26 8.419 4.998 -0.216 191 H LEU 27 HN LEU 27 4.580 2.221 -1.106 192 HA LEU 27 HA LEU 27 2.803 4.215 -0.578 193 1HB LEU 27 HB2 LEU 27 2.673 1.391 -1.161 194 2HB LEU 27 HB1 LEU 27 1.381 1.846 -0.069 195 HG LEU 27 HG LEU 27 1.688 3.668 -2.344 196 1HD1 LEU 27 HD11 LEU 27 0.275 1.525 -3.464 197 2HD1 LEU 27 HD12 LEU 27 1.767 0.837 -2.827 198 3HD1 LEU 27 HD13 LEU 27 1.833 2.172 -3.976 199 1HD2 LEU 27 HD21 LEU 27 -0.220 3.979 -1.060 200 2HD2 LEU 27 HD22 LEU 27 -0.517 2.248 -0.899 201 3HD2 LEU 27 HD23 LEU 27 -0.819 3.055 -2.436 202 H GLY 28 HN GLY 28 3.454 1.438 1.571 203 1HA GLY 28 HA2 GLY 28 1.775 2.257 3.665 204 2HA GLY 28 HA1 GLY 28 3.135 1.159 3.825 205 H GLU 29 HN GLU 29 5.295 2.745 3.285 206 HA GLU 29 HA GLU 29 5.719 4.069 5.699 207 1HB GLU 29 HB2 GLU 29 7.116 4.066 3.055 208 2HB GLU 29 HB1 GLU 29 7.595 5.251 4.262 209 1HG GLU 29 HG2 GLU 29 7.381 2.491 5.242 210 2HG GLU 29 HG1 GLU 29 8.642 2.771 4.042 211 H ARG 30 HN ARG 30 5.145 5.502 2.489 212 HA ARG 30 HA ARG 30 4.908 8.156 3.447 213 1HB ARG 30 HB2 ARG 30 3.915 6.898 0.885 214 2HB ARG 30 HB1 ARG 30 3.926 8.627 1.208 215 1HG ARG 30 HG2 ARG 30 6.519 7.386 1.644 216 2HG ARG 30 HG1 ARG 30 5.925 7.189 -0.007 217 1HD ARG 30 HD2 ARG 30 6.087 9.394 -0.469 218 2HD ARG 30 HD1 ARG 30 5.600 9.875 1.155 219 HE ARG 30 HE ARG 30 7.801 10.147 1.629 220 1HH1 ARG 30 HH11 ARG 30 7.550 7.792 -0.937 221 2HH1 ARG 30 HH12 ARG 30 9.261 7.572 -1.070 222 1HH2 ARG 30 HH21 ARG 30 10.048 9.865 1.447 223 2HH2 ARG 30 HH22 ARG 30 10.680 8.749 0.284 224 H LEU 31 HN LEU 31 2.725 5.497 3.400 225 HA LEU 31 HA LEU 31 0.287 6.936 3.358 226 1HB LEU 31 HB2 LEU 31 1.125 4.244 3.445 227 2HB LEU 31 HB1 LEU 31 0.077 4.482 4.815 228 HG LEU 31 HG LEU 31 -1.237 5.676 2.656 229 1HD1 LEU 31 HD11 LEU 31 0.010 3.048 1.897 230 2HD1 LEU 31 HD12 LEU 31 0.148 4.592 1.057 231 3HD1 LEU 31 HD13 LEU 31 -1.395 3.741 1.087 232 1HD2 LEU 31 HD21 LEU 31 -1.900 4.124 4.718 233 2HD2 LEU 31 HD22 LEU 31 -1.940 2.911 3.438 234 3HD2 LEU 31 HD23 LEU 31 -2.954 4.351 3.322 235 H TYR 32 HN TYR 32 1.944 5.263 6.007 236 HA TYR 32 HA TYR 32 0.408 6.060 8.130 237 1HB TYR 32 HB2 TYR 32 2.444 4.477 8.026 238 2HB TYR 32 HB1 TYR 32 3.420 5.915 8.286 239 HD1 TYR 32 HD1 TYR 32 3.233 7.159 10.430 240 HD2 TYR 32 HD2 TYR 32 1.256 3.443 9.812 241 HE1 TYR 32 HE1 TYR 32 2.957 6.909 12.861 242 HE2 TYR 32 HE2 TYR 32 0.969 3.186 12.240 243 HH TYR 32 HH TYR 32 2.646 4.916 14.485 244 H ASN 33 HN ASN 33 2.866 7.909 6.442 245 HA ASN 33 HA ASN 33 3.103 9.999 8.340 246 1HB ASN 33 HB2 ASN 33 4.839 9.711 6.708 247 2HB ASN 33 HB1 ASN 33 3.691 9.864 5.380 248 1HD2 ASN 33 HD21 ASN 33 2.466 12.002 5.368 249 2HD2 ASN 33 HD22 ASN 33 3.409 13.417 5.694 250 H HIS 34 HN HIS 34 1.034 9.559 5.517 251 HA HIS 34 HA HIS 34 0.006 12.167 5.491 252 1HB HIS 34 HB2 HIS 34 -1.654 11.363 4.025 253 2HB HIS 34 HB1 HIS 34 -0.231 10.408 3.664 254 HD1 HIS 34 HD1 HIS 34 -1.014 8.100 3.112 255 HD2 HIS 34 HD2 HIS 34 -3.169 9.789 6.208 256 HE1 HIS 34 HE1 HIS 34 -2.634 6.317 3.870 257 HE2 HIS 34 HE2 HIS 34 -3.879 7.350 5.786 258 H ILE 35 HN ILE 35 -0.975 9.270 7.136 259 HA ILE 35 HA ILE 35 -3.190 10.639 8.445 260 HB ILE 35 HB ILE 35 -3.853 8.568 7.572 261 1HG1 ILE 35 HG12 ILE 35 -3.415 7.630 10.358 262 2HG1 ILE 35 HG11 ILE 35 -4.306 9.132 10.130 263 1HG2 ILE 35 HG21 ILE 35 -1.480 7.323 8.941 264 2HG2 ILE 35 HG22 ILE 35 -1.691 7.565 7.207 265 3HG2 ILE 35 HG23 ILE 35 -2.737 6.445 8.070 266 1HD1 ILE 35 HD11 ILE 35 -6.083 7.791 9.973 267 2HD1 ILE 35 HD12 ILE 35 -5.104 6.370 9.608 268 3HD1 ILE 35 HD13 ILE 35 -5.521 7.508 8.327 269 H VAL 36 HN VAL 36 0.028 9.570 9.278 270 HA VAL 36 HA VAL 36 -0.311 9.072 11.994 271 HB VAL 36 HB VAL 36 1.849 8.679 10.895 272 1HG1 VAL 36 HG11 VAL 36 2.348 11.638 11.062 273 2HG1 VAL 36 HG12 VAL 36 1.799 10.836 9.590 274 3HG1 VAL 36 HG13 VAL 36 3.351 10.402 10.303 275 1HG2 VAL 36 HG21 VAL 36 1.857 10.476 13.308 276 2HG2 VAL 36 HG22 VAL 36 3.299 9.647 12.720 277 3HG2 VAL 36 HG23 VAL 36 1.904 8.713 13.263 278 H ALA 37 HN ALA 37 0.403 12.182 10.417 279 HA ALA 37 HA ALA 37 0.234 13.659 12.854 280 1HB ALA 37 HB1 ALA 37 0.839 14.206 10.067 281 2HB ALA 37 HB2 ALA 37 1.407 15.015 11.525 282 3HB ALA 37 HB3 ALA 37 -0.134 15.479 10.805 283 H ILE 38 HN ILE 38 -1.991 12.689 10.365 284 HA ILE 38 HA ILE 38 -4.057 14.532 11.207 285 HB ILE 38 HB ILE 38 -4.472 12.166 9.399 286 1HG1 ILE 38 HG12 ILE 38 -2.517 13.423 8.608 287 2HG1 ILE 38 HG11 ILE 38 -3.885 13.627 7.518 288 1HG2 ILE 38 HG21 ILE 38 -5.788 14.788 9.007 289 2HG2 ILE 38 HG22 ILE 38 -6.296 13.831 10.398 290 3HG2 ILE 38 HG23 ILE 38 -6.414 13.158 8.771 291 1HD1 ILE 38 HD11 ILE 38 -4.037 15.712 9.385 292 2HD1 ILE 38 HD12 ILE 38 -3.604 15.809 7.676 293 3HD1 ILE 38 HD13 ILE 38 -2.347 15.592 8.895 294 H ASN 39 HN ASN 39 -4.153 10.959 10.960 295 HA ASN 39 HA ASN 39 -5.626 10.935 13.511 296 1HB ASN 39 HB2 ASN 39 -6.753 10.274 11.100 297 2HB ASN 39 HB1 ASN 39 -6.251 8.703 11.717 298 1HD2 ASN 39 HD21 ASN 39 -7.659 7.704 12.967 299 2HD2 ASN 39 HD22 ASN 39 -8.911 8.453 13.893 300 HA PRO 40 HA PRO 40 -1.734 8.544 14.119 301 1HB PRO 40 HB2 PRO 40 -2.660 9.078 16.897 302 2HB PRO 40 HB1 PRO 40 -1.044 9.227 16.201 303 1HG PRO 40 HG2 PRO 40 -2.505 11.391 16.705 304 2HG PRO 40 HG1 PRO 40 -1.500 11.293 15.249 305 1HD PRO 40 HD2 PRO 40 -4.458 11.003 15.537 306 2HD PRO 40 HD1 PRO 40 -3.517 11.744 14.225 307 H ALA 41 HN ALA 41 -4.835 8.261 15.836 308 HA ALA 41 HA ALA 41 -4.357 5.506 16.531 309 1HB ALA 41 HB1 ALA 41 -7.041 6.805 16.720 310 2HB ALA 41 HB2 ALA 41 -5.745 7.281 17.818 311 3HB ALA 41 HB3 ALA 41 -6.298 5.606 17.779 312 H ALA 42 HN ALA 42 -4.131 5.770 13.784 313 HA ALA 42 HA ALA 42 -6.091 3.866 12.918 314 1HB ALA 42 HB1 ALA 42 -6.477 5.472 10.820 315 2HB ALA 42 HB2 ALA 42 -6.273 6.693 12.076 316 3HB ALA 42 HB3 ALA 42 -7.535 5.470 12.231 317 H ALA 43 HN ALA 43 -3.493 6.089 11.999 318 HA ALA 43 HA ALA 43 -2.556 5.211 9.650 319 1HB ALA 43 HB1 ALA 43 -1.495 6.843 11.334 320 2HB ALA 43 HB2 ALA 43 -0.433 5.953 10.243 321 3HB ALA 43 HB3 ALA 43 -0.612 5.432 11.918 322 H ALA 44 HN ALA 44 -1.717 3.611 12.727 323 HA ALA 44 HA ALA 44 -0.230 1.532 11.747 324 1HB ALA 44 HB1 ALA 44 -1.442 2.193 14.208 325 2HB ALA 44 HB2 ALA 44 -0.148 1.034 13.907 326 3HB ALA 44 HB3 ALA 44 -1.831 0.507 13.867 327 H LYS 45 HN LYS 45 -3.728 1.783 11.914 328 HA LYS 45 HA LYS 45 -4.111 -0.897 10.903 329 1HB LYS 45 HB2 LYS 45 -6.106 1.327 11.342 330 2HB LYS 45 HB1 LYS 45 -6.499 -0.347 10.972 331 1HG LYS 45 HG2 LYS 45 -4.768 -0.118 13.283 332 2HG LYS 45 HG1 LYS 45 -6.280 0.772 13.480 333 1HD LYS 45 HD2 LYS 45 -7.442 -1.339 12.662 334 2HD LYS 45 HD1 LYS 45 -5.894 -2.153 12.906 335 1HE LYS 45 HE2 LYS 45 -5.910 -1.469 15.253 336 2HE LYS 45 HE1 LYS 45 -7.456 -0.655 15.007 337 1HZ LYS 45 HZ1 LYS 45 -7.211 -3.167 15.872 338 2HZ LYS 45 HZ2 LYS 45 -7.382 -3.440 14.212 339 3HZ LYS 45 HZ3 LYS 45 -8.572 -2.585 15.054 340 H VAL 46 HN VAL 46 -4.577 2.409 9.747 341 HA VAL 46 HA VAL 46 -5.592 1.781 7.213 342 HB VAL 46 HB VAL 46 -3.898 4.172 7.925 343 1HG1 VAL 46 HG11 VAL 46 -5.978 4.804 6.138 344 2HG1 VAL 46 HG12 VAL 46 -5.205 3.345 5.525 345 3HG1 VAL 46 HG13 VAL 46 -4.242 4.792 5.824 346 1HG2 VAL 46 HG21 VAL 46 -6.238 5.209 8.246 347 2HG2 VAL 46 HG22 VAL 46 -5.569 4.217 9.536 348 3HG2 VAL 46 HG23 VAL 46 -6.776 3.543 8.446 349 H THR 47 HN THR 47 -2.264 2.509 8.227 350 HA THR 47 HA THR 47 -1.048 2.215 5.726 351 HB THR 47 HB THR 47 0.269 1.520 8.346 352 HG1 THR 47 HG1 THR 47 0.123 4.141 7.326 353 1HG2 THR 47 HG21 THR 47 2.224 2.609 7.337 354 2HG2 THR 47 HG22 THR 47 1.313 2.806 5.840 355 3HG2 THR 47 HG23 THR 47 1.692 1.190 6.433 356 H GLY 48 HN GLY 48 -1.321 -0.146 8.372 357 1HA GLY 48 HA2 GLY 48 -0.097 -2.261 6.942 358 2HA GLY 48 HA1 GLY 48 -1.047 -2.422 8.412 359 H MET 49 HN MET 49 -3.511 -1.731 7.804 360 HA MET 49 HA MET 49 -4.418 -3.913 6.224 361 1HB MET 49 HB2 MET 49 -5.903 -1.533 7.349 362 2HB MET 49 HB1 MET 49 -6.685 -2.861 6.509 363 1HG MET 49 HG2 MET 49 -5.173 -2.991 9.104 364 2HG MET 49 HG1 MET 49 -6.906 -3.201 8.857 365 1HE MET 49 HE1 MET 49 -3.798 -4.961 9.644 366 2HE MET 49 HE2 MET 49 -3.357 -4.684 7.959 367 3HE MET 49 HE3 MET 49 -3.647 -6.326 8.535 368 H LEU 50 HN LEU 50 -4.478 -0.397 5.719 369 HA LEU 50 HA LEU 50 -5.324 0.736 3.835 370 1HB LEU 50 HB2 LEU 50 -2.913 0.954 3.911 371 2HB LEU 50 HB1 LEU 50 -2.721 -0.536 3.014 372 HG LEU 50 HG LEU 50 -3.933 0.581 1.096 373 1HD1 LEU 50 HD11 LEU 50 -4.894 2.555 1.423 374 2HD1 LEU 50 HD12 LEU 50 -3.303 3.262 1.675 375 3HD1 LEU 50 HD13 LEU 50 -4.224 2.652 3.049 376 1HD2 LEU 50 HD21 LEU 50 -1.924 1.988 0.488 377 2HD2 LEU 50 HD22 LEU 50 -1.600 0.304 0.902 378 3HD2 LEU 50 HD23 LEU 50 -1.274 1.579 2.076 379 H LEU 51 HN LEU 51 -3.852 -2.204 2.397 380 HA LEU 51 HA LEU 51 -5.640 -2.155 0.199 381 1HB LEU 51 HB2 LEU 51 -3.657 -4.187 1.189 382 2HB LEU 51 HB1 LEU 51 -4.617 -4.429 -0.259 383 HG LEU 51 HG LEU 51 -3.439 -1.906 -0.581 384 1HD1 LEU 51 HD11 LEU 51 -1.911 -3.182 1.303 385 2HD1 LEU 51 HD12 LEU 51 -1.364 -1.898 0.227 386 3HD1 LEU 51 HD13 LEU 51 -1.091 -3.584 -0.207 387 1HD2 LEU 51 HD21 LEU 51 -3.907 -3.508 -2.349 388 2HD2 LEU 51 HD22 LEU 51 -2.651 -4.578 -1.728 389 3HD2 LEU 51 HD23 LEU 51 -2.218 -3.003 -2.392 390 H GLU 52 HN GLU 52 -7.593 -2.061 1.681 391 HA GLU 52 HA GLU 52 -8.424 -4.640 2.742 392 1HB GLU 52 HB2 GLU 52 -9.654 -1.886 2.754 393 2HB GLU 52 HB1 GLU 52 -10.546 -3.302 3.288 394 1HG GLU 52 HG2 GLU 52 -7.972 -2.282 4.471 395 2HG GLU 52 HG1 GLU 52 -9.583 -2.097 5.163 396 H MET 53 HN MET 53 -10.898 -5.098 2.228 397 HA MET 53 HA MET 53 -10.992 -5.826 -0.501 398 1HB MET 53 HB2 MET 53 -13.096 -5.822 1.656 399 2HB MET 53 HB1 MET 53 -13.400 -6.424 0.032 400 1HG MET 53 HG2 MET 53 -11.367 -7.479 1.984 401 2HG MET 53 HG1 MET 53 -12.883 -8.250 1.517 402 1HE MET 53 HE1 MET 53 -9.097 -8.882 0.762 403 2HE MET 53 HE2 MET 53 -9.469 -7.158 0.761 404 3HE MET 53 HE3 MET 53 -8.968 -7.954 -0.731 405 H ASP 54 HN ASP 54 -13.166 -3.589 1.258 406 HA ASP 54 HA ASP 54 -13.965 -2.422 -1.279 407 1HB ASP 54 HB2 ASP 54 -15.496 -1.055 0.170 408 2HB ASP 54 HB1 ASP 54 -15.786 -2.785 0.169 409 H ASN 55 HN ASN 55 -13.197 -0.832 1.810 410 HA ASN 55 HA ASN 55 -12.474 1.606 0.810 411 1HB ASN 55 HB2 ASN 55 -12.704 0.751 3.262 412 2HB ASN 55 HB1 ASN 55 -10.976 0.430 3.130 413 1HD2 ASN 55 HD21 ASN 55 -9.773 2.361 2.089 414 2HD2 ASN 55 HD22 ASN 55 -10.143 3.899 2.777 415 H GLY 56 HN GLY 56 -10.649 -1.351 0.796 416 1HA GLY 56 HA2 GLY 56 -8.077 -0.254 0.421 417 2HA GLY 56 HA1 GLY 56 -8.569 -1.880 -0.007 418 H GLU 57 HN GLU 57 -10.207 -1.775 -2.025 419 HA GLU 57 HA GLU 57 -8.804 -1.402 -4.287 420 1HB GLU 57 HB2 GLU 57 -11.725 -0.686 -4.049 421 2HB GLU 57 HB1 GLU 57 -10.876 -1.152 -5.517 422 1HG GLU 57 HG2 GLU 57 -10.638 -3.103 -3.363 423 2HG GLU 57 HG1 GLU 57 -12.295 -2.831 -3.898 424 H ILE 58 HN ILE 58 -10.826 1.158 -2.844 425 HA ILE 58 HA ILE 58 -10.361 3.161 -4.699 426 HB ILE 58 HB ILE 58 -10.780 3.325 -1.714 427 1HG1 ILE 58 HG12 ILE 58 -12.978 4.383 -2.995 428 2HG1 ILE 58 HG11 ILE 58 -12.493 3.081 -4.075 429 1HG2 ILE 58 HG21 ILE 58 -11.101 5.657 -1.834 430 2HG2 ILE 58 HG22 ILE 58 -11.078 5.653 -3.595 431 3HG2 ILE 58 HG23 ILE 58 -9.592 5.357 -2.694 432 1HD1 ILE 58 HD11 ILE 58 -12.792 1.455 -2.420 433 2HD1 ILE 58 HD12 ILE 58 -14.182 2.529 -2.271 434 3HD1 ILE 58 HD13 ILE 58 -12.842 2.655 -1.132 435 H LEU 59 HN LEU 59 -8.484 2.308 -1.828 436 HA LEU 59 HA LEU 59 -6.568 4.166 -1.630 437 1HB LEU 59 HB2 LEU 59 -5.340 2.639 -0.479 438 2HB LEU 59 HB1 LEU 59 -6.868 1.790 -0.540 439 HG LEU 59 HG LEU 59 -5.833 0.744 -2.737 440 1HD1 LEU 59 HD11 LEU 59 -3.326 0.331 -2.041 441 2HD1 LEU 59 HD12 LEU 59 -3.513 1.908 -1.274 442 3HD1 LEU 59 HD13 LEU 59 -3.783 1.733 -3.007 443 1HD2 LEU 59 HD21 LEU 59 -6.309 -0.127 -0.213 444 2HD2 LEU 59 HD22 LEU 59 -4.584 -0.443 -0.373 445 3HD2 LEU 59 HD23 LEU 59 -5.717 -1.133 -1.533 446 H ASN 60 HN ASN 60 -6.740 1.737 -4.157 447 HA ASN 60 HA ASN 60 -4.272 1.837 -5.311 448 1HB ASN 60 HB2 ASN 60 -6.719 0.825 -6.048 449 2HB ASN 60 HB1 ASN 60 -6.400 1.999 -7.320 450 1HD2 ASN 60 HD21 ASN 60 -6.319 -1.075 -6.956 451 2HD2 ASN 60 HD22 ASN 60 -4.846 -1.513 -7.747 452 H LEU 61 HN LEU 61 -6.612 4.391 -5.245 453 HA LEU 61 HA LEU 61 -5.005 5.947 -7.151 454 1HB LEU 61 HB2 LEU 61 -7.702 6.785 -6.159 455 2HB LEU 61 HB1 LEU 61 -6.896 7.214 -7.655 456 HG LEU 61 HG LEU 61 -7.379 4.366 -7.552 457 1HD1 LEU 61 HD11 LEU 61 -9.341 5.715 -6.196 458 2HD1 LEU 61 HD12 LEU 61 -9.531 4.158 -7.002 459 3HD1 LEU 61 HD13 LEU 61 -9.982 5.646 -7.837 460 1HD2 LEU 61 HD21 LEU 61 -7.229 4.928 -9.706 461 2HD2 LEU 61 HD22 LEU 61 -7.605 6.619 -9.379 462 3HD2 LEU 61 HD23 LEU 61 -8.909 5.448 -9.570 463 H LEU 62 HN LEU 62 -3.671 5.865 -4.871 464 HA LEU 62 HA LEU 62 -4.081 7.219 -2.651 465 1HB LEU 62 HB2 LEU 62 -1.718 7.581 -4.475 466 2HB LEU 62 HB1 LEU 62 -1.760 8.200 -2.834 467 HG LEU 62 HG LEU 62 -2.328 5.312 -3.257 468 1HD1 LEU 62 HD11 LEU 62 -0.437 5.438 -4.624 469 2HD1 LEU 62 HD12 LEU 62 0.179 4.928 -3.047 470 3HD1 LEU 62 HD13 LEU 62 0.359 6.604 -3.566 471 1HD2 LEU 62 HD21 LEU 62 -1.870 5.145 -1.065 472 2HD2 LEU 62 HD22 LEU 62 -2.127 6.890 -1.058 473 3HD2 LEU 62 HD23 LEU 62 -0.492 6.239 -1.167 474 H ASP 63 HN ASP 63 -5.608 8.785 -2.585 475 HA ASP 63 HA ASP 63 -5.016 11.323 -3.972 476 1HB ASP 63 HB2 ASP 63 -7.263 9.844 -4.264 477 2HB ASP 63 HB1 ASP 63 -7.744 10.872 -2.918 478 H THR 64 HN THR 64 -5.605 13.307 -2.812 479 HA THR 64 HA THR 64 -4.756 13.167 -0.083 480 HB THR 64 HB THR 64 -5.996 15.630 -1.246 481 HG1 THR 64 HG1 THR 64 -3.855 16.028 -2.160 482 1HG2 THR 64 HG21 THR 64 -3.401 15.477 0.214 483 2HG2 THR 64 HG22 THR 64 -4.926 15.416 1.099 484 3HG2 THR 64 HG23 THR 64 -4.546 16.812 0.091 485 HA PRO 65 HA PRO 65 -9.307 14.310 0.846 486 1HB PRO 65 HB2 PRO 65 -11.149 14.044 -1.142 487 2HB PRO 65 HB1 PRO 65 -10.282 15.545 -0.811 488 1HG PRO 65 HG2 PRO 65 -9.893 13.579 -2.988 489 2HG PRO 65 HG1 PRO 65 -9.589 15.321 -2.972 490 1HD PRO 65 HD2 PRO 65 -7.664 13.309 -2.730 491 2HD PRO 65 HD1 PRO 65 -7.435 15.024 -2.355 492 H GLY 66 HN GLY 66 -9.989 12.069 -1.838 493 1HA GLY 66 HA2 GLY 66 -11.618 10.311 -0.549 494 2HA GLY 66 HA1 GLY 66 -10.559 9.848 -1.868 495 H LEU 67 HN LEU 67 -8.123 9.681 -1.001 496 HA LEU 67 HA LEU 67 -7.944 7.380 0.516 497 1HB LEU 67 HB2 LEU 67 -6.200 9.266 -0.673 498 2HB LEU 67 HB1 LEU 67 -5.607 8.953 0.941 499 HG LEU 67 HG LEU 67 -4.627 7.522 -0.866 500 1HD1 LEU 67 HD11 LEU 67 -4.449 5.652 0.488 501 2HD1 LEU 67 HD12 LEU 67 -6.101 5.804 1.081 502 3HD1 LEU 67 HD13 LEU 67 -4.863 6.932 1.629 503 1HD2 LEU 67 HD21 LEU 67 -7.044 7.315 -1.898 504 2HD2 LEU 67 HD22 LEU 67 -7.116 5.897 -0.853 505 3HD2 LEU 67 HD23 LEU 67 -5.856 6.024 -2.079 506 H LEU 68 HN LEU 68 -6.797 10.543 1.725 507 HA LEU 68 HA LEU 68 -6.578 9.865 4.376 508 1HB LEU 68 HB2 LEU 68 -6.731 12.321 2.870 509 2HB LEU 68 HB1 LEU 68 -7.480 12.506 4.441 510 HG LEU 68 HG LEU 68 -5.280 11.416 5.322 511 1HD1 LEU 68 HD11 LEU 68 -3.802 10.897 3.746 512 2HD1 LEU 68 HD12 LEU 68 -3.572 12.628 3.500 513 3HD1 LEU 68 HD13 LEU 68 -4.726 11.743 2.504 514 1HD2 LEU 68 HD21 LEU 68 -4.294 13.615 5.564 515 2HD2 LEU 68 HD22 LEU 68 -6.045 13.710 5.770 516 3HD2 LEU 68 HD23 LEU 68 -5.303 14.237 4.257 517 H ASP 69 HN ASP 69 -9.515 10.479 2.606 518 HA ASP 69 HA ASP 69 -11.111 10.843 4.978 519 1HB ASP 69 HB2 ASP 69 -11.571 11.651 2.500 520 2HB ASP 69 HB1 ASP 69 -12.344 10.074 2.367 521 H ALA 70 HN ALA 70 -11.024 8.314 2.458 522 HA ALA 70 HA ALA 70 -12.490 6.466 4.074 523 1HB ALA 70 HB1 ALA 70 -12.666 6.378 1.665 524 2HB ALA 70 HB2 ALA 70 -12.013 4.856 2.274 525 3HB ALA 70 HB3 ALA 70 -10.940 6.039 1.524 526 H LYS 71 HN LYS 71 -9.334 7.487 4.268 527 HA LYS 71 HA LYS 71 -8.160 4.931 4.945 528 1HB LYS 71 HB2 LYS 71 -7.176 7.749 4.752 529 2HB LYS 71 HB1 LYS 71 -6.235 6.582 5.667 530 1HG LYS 71 HG2 LYS 71 -6.763 6.699 2.733 531 2HG LYS 71 HG1 LYS 71 -5.244 6.482 3.589 532 1HD LYS 71 HD2 LYS 71 -5.513 4.344 2.892 533 2HD LYS 71 HD1 LYS 71 -6.507 4.238 4.343 534 1HE LYS 71 HE2 LYS 71 -8.501 4.455 3.126 535 2HE LYS 71 HE1 LYS 71 -7.661 5.013 1.684 536 1HZ LYS 71 HZ1 LYS 71 -8.064 2.848 1.141 537 2HZ LYS 71 HZ2 LYS 71 -7.944 2.292 2.735 538 3HZ LYS 71 HZ3 LYS 71 -6.549 2.676 1.867 539 H VAL 72 HN VAL 72 -8.902 7.968 6.627 540 HA VAL 72 HA VAL 72 -8.203 7.030 9.211 541 HB VAL 72 HB VAL 72 -9.308 9.010 10.062 542 1HG1 VAL 72 HG11 VAL 72 -7.497 10.120 9.423 543 2HG1 VAL 72 HG12 VAL 72 -8.247 10.459 7.868 544 3HG1 VAL 72 HG13 VAL 72 -7.271 9.006 8.077 545 1HG2 VAL 72 HG21 VAL 72 -10.403 9.327 7.267 546 2HG2 VAL 72 HG22 VAL 72 -10.522 10.537 8.544 547 3HG2 VAL 72 HG23 VAL 72 -11.331 8.981 8.727 548 H GLN 73 HN GLN 73 -11.249 7.163 7.437 549 HA GLN 73 HA GLN 73 -12.936 6.398 9.546 550 1HB GLN 73 HB2 GLN 73 -13.329 5.807 6.614 551 2HB GLN 73 HB1 GLN 73 -14.579 5.925 7.846 552 1HG GLN 73 HG2 GLN 73 -12.827 8.167 6.875 553 2HG GLN 73 HG1 GLN 73 -14.521 7.914 6.459 554 1HE2 GLN 73 HE21 GLN 73 -13.126 10.147 7.815 555 2HE2 GLN 73 HE22 GLN 73 -13.958 10.363 9.315 556 H GLU 74 HN GLU 74 -11.471 4.414 6.959 557 HA GLU 74 HA GLU 74 -12.491 1.955 7.669 558 1HB GLU 74 HB2 GLU 74 -11.193 2.308 5.645 559 2HB GLU 74 HB1 GLU 74 -9.738 2.576 6.594 560 1HG GLU 74 HG2 GLU 74 -10.747 0.087 7.403 561 2HG GLU 74 HG1 GLU 74 -10.867 0.119 5.644 562 H ALA 75 HN ALA 75 -9.661 3.606 9.003 563 HA ALA 75 HA ALA 75 -8.998 1.413 10.752 564 1HB ALA 75 HB1 ALA 75 -7.417 3.212 11.722 565 2HB ALA 75 HB2 ALA 75 -7.901 4.161 10.319 566 3HB ALA 75 HB3 ALA 75 -7.119 2.596 10.097 567 H LEU 76 HN LEU 76 -10.570 4.552 11.050 568 HA LEU 76 HA LEU 76 -10.770 4.489 13.882 569 1HB LEU 76 HB2 LEU 76 -11.843 6.156 11.688 570 2HB LEU 76 HB1 LEU 76 -12.737 6.182 13.187 571 HG LEU 76 HG LEU 76 -9.829 6.881 12.859 572 1HD1 LEU 76 HD11 LEU 76 -10.684 8.821 12.149 573 2HD1 LEU 76 HD12 LEU 76 -11.090 9.085 13.845 574 3HD1 LEU 76 HD13 LEU 76 -12.301 8.439 12.739 575 1HD2 LEU 76 HD21 LEU 76 -11.607 6.695 15.267 576 2HD2 LEU 76 HD22 LEU 76 -10.189 7.743 15.242 577 3HD2 LEU 76 HD23 LEU 76 -10.004 6.003 15.018 578 H GLU 77 HN GLU 77 -12.856 3.417 11.256 579 HA GLU 77 HA GLU 77 -15.054 2.787 12.999 580 1HB GLU 77 HB2 GLU 77 -14.717 3.135 10.237 581 2HB GLU 77 HB1 GLU 77 -15.143 1.443 10.436 582 1HG GLU 77 HG2 GLU 77 -17.142 2.691 10.088 583 2HG GLU 77 HG1 GLU 77 -17.111 2.152 11.767 584 H VAL 78 HN VAL 78 -12.430 1.033 11.418 585 HA VAL 78 HA VAL 78 -13.354 -1.550 12.201 586 HB VAL 78 HB VAL 78 -11.775 -1.049 10.275 587 1HG1 VAL 78 HG11 VAL 78 -9.449 -1.412 12.030 588 2HG1 VAL 78 HG12 VAL 78 -10.221 0.170 12.124 589 3HG1 VAL 78 HG13 VAL 78 -9.637 -0.436 10.574 590 1HG2 VAL 78 HG21 VAL 78 -10.581 -3.179 11.975 591 2HG2 VAL 78 HG22 VAL 78 -11.032 -3.210 10.269 592 3HG2 VAL 78 HG23 VAL 78 -12.279 -3.309 11.513 593 H LEU 79 HN LEU 79 -12.047 0.960 13.966 594 HA LEU 79 HA LEU 79 -10.317 -0.357 15.756 595 1HB LEU 79 HB2 LEU 79 -11.520 2.233 15.474 596 2HB LEU 79 HB1 LEU 79 -11.670 1.707 17.139 597 HG LEU 79 HG LEU 79 -9.005 1.465 15.832 598 1HD1 LEU 79 HD11 LEU 79 -10.418 3.908 15.856 599 2HD1 LEU 79 HD12 LEU 79 -8.721 3.632 15.467 600 3HD1 LEU 79 HD13 LEU 79 -9.196 4.001 17.124 601 1HD2 LEU 79 HD21 LEU 79 -8.742 0.737 17.949 602 2HD2 LEU 79 HD22 LEU 79 -10.153 1.616 18.540 603 3HD2 LEU 79 HD23 LEU 79 -8.623 2.459 18.308 604 H ASN 80 HN ASN 80 -13.622 0.798 16.442 605 HA ASN 80 HA ASN 80 -13.910 -1.122 18.580 606 1HB ASN 80 HB2 ASN 80 -15.927 0.817 17.433 607 2HB ASN 80 HB1 ASN 80 -16.104 -0.092 18.928 608 1HD2 ASN 80 HD21 ASN 80 -15.123 2.786 17.571 609 2HD2 ASN 80 HD22 ASN 80 -14.249 3.431 18.913 610 H ARG 81 HN ARG 81 -13.790 -1.821 15.562 611 HA ARG 81 HA ARG 81 -16.317 -3.015 14.992 612 1HB ARG 81 HB2 ARG 81 -13.748 -2.717 13.666 613 2HB ARG 81 HB1 ARG 81 -14.427 -4.319 13.418 614 1HG ARG 81 HG2 ARG 81 -15.779 -1.700 12.807 615 2HG ARG 81 HG1 ARG 81 -15.090 -2.825 11.635 616 1HD ARG 81 HD2 ARG 81 -16.715 -4.528 12.797 617 2HD ARG 81 HD1 ARG 81 -17.571 -3.063 13.268 618 HE ARG 81 HE ARG 81 -17.095 -3.958 10.505 619 1HH1 ARG 81 HH11 ARG 81 -18.849 -1.974 12.794 620 2HH1 ARG 81 HH12 ARG 81 -20.017 -1.457 11.628 621 1HH2 ARG 81 HH21 ARG 81 -18.631 -3.266 8.984 622 2HH2 ARG 81 HH22 ARG 81 -19.895 -2.186 9.471 623 H HIS 82 HN HIS 82 -14.883 -3.739 17.537 624 HA HIS 82 HA HIS 82 -14.119 -6.475 17.302 625 1HB HIS 82 HB2 HIS 82 -13.998 -4.419 19.274 626 2HB HIS 82 HB1 HIS 82 -14.827 -5.804 19.989 627 HD1 HIS 82 HD1 HIS 82 -12.764 -6.221 21.534 628 HD2 HIS 82 HD2 HIS 82 -11.980 -6.577 17.468 629 HE1 HIS 82 HE1 HIS 82 -10.527 -7.361 21.377 630 HE2 HIS 82 HE2 HIS 82 -10.048 -7.518 18.908 631 H MET 83 HN MET 83 -17.031 -5.131 16.885 632 HA MET 83 HA MET 83 -18.781 -6.572 18.539 633 1HB MET 83 HB2 MET 83 -18.949 -4.883 16.158 634 2HB MET 83 HB1 MET 83 -20.173 -6.142 16.190 635 1HG MET 83 HG2 MET 83 -19.726 -4.448 18.602 636 2HG MET 83 HG1 MET 83 -20.652 -3.817 17.241 637 1HE MET 83 HE1 MET 83 -23.548 -5.243 16.768 638 2HE MET 83 HE2 MET 83 -23.001 -6.919 16.787 639 3HE MET 83 HE3 MET 83 -22.033 -5.686 15.982 640 H ASN 84 HN ASN 84 -18.526 -7.058 15.035 641 HA ASN 84 HA ASN 84 -18.786 -9.955 15.491 642 1HB ASN 84 HB2 ASN 84 -19.808 -8.169 13.295 643 2HB ASN 84 HB1 ASN 84 -19.666 -9.911 13.069 644 1HD2 ASN 84 HD21 ASN 84 -21.737 -7.528 13.870 645 2HD2 ASN 84 HD22 ASN 84 -22.879 -8.422 14.810 646 H VAL 85 HN VAL 85 -16.541 -10.302 15.646 647 HA VAL 85 HA VAL 85 -15.089 -9.986 13.098 648 HB VAL 85 HB VAL 85 -14.133 -8.555 14.845 649 1HG1 VAL 85 HG11 VAL 85 -12.871 -10.407 16.548 650 2HG1 VAL 85 HG12 VAL 85 -14.575 -10.861 16.483 651 3HG1 VAL 85 HG13 VAL 85 -14.115 -9.226 16.960 652 1HG2 VAL 85 HG21 VAL 85 -11.811 -9.363 14.717 653 2HG2 VAL 85 HG22 VAL 85 -12.641 -9.461 13.163 654 3HG2 VAL 85 HG23 VAL 85 -12.399 -10.917 14.127 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -1.545 -1.505 -28.558 2 2H GLY 1 HT2 GLY 1 -0.730 -2.599 -29.558 3 3H GLY 1 HT3 GLY 1 -0.912 -0.987 -30.040 4 1HA GLY 1 HA1 GLY 1 0.545 -0.204 -28.360 5 2HA GLY 1 HA2 GLY 1 0.581 -1.793 -27.610 6 H SER 2 HN SER 2 0.609 -2.352 -30.859 7 HA SER 2 HA SER 2 2.199 -3.065 -32.313 8 1HB SER 2 HB2 SER 2 3.494 -0.664 -31.064 9 2HB SER 2 HB1 SER 2 4.403 -1.659 -32.201 10 HG SER 2 HG SER 2 2.476 -1.357 -33.608 11 H SER 3 HN SER 3 4.350 -4.112 -32.500 12 HA SER 3 HA SER 3 5.130 -5.326 -29.931 13 1HB SER 3 HB2 SER 3 4.291 -6.532 -32.371 14 2HB SER 3 HB1 SER 3 5.993 -6.932 -32.132 15 HG SER 3 HG SER 3 5.451 -8.184 -30.536 16 H LEU 4 HN LEU 4 6.699 -3.718 -29.523 17 HA LEU 4 HA LEU 4 8.801 -3.184 -31.396 18 1HB LEU 4 HB2 LEU 4 8.211 -2.411 -28.573 19 2HB LEU 4 HB1 LEU 4 9.832 -2.177 -29.194 20 HG LEU 4 HG LEU 4 8.009 -1.103 -31.101 21 1HD1 LEU 4 HD11 LEU 4 7.072 -0.840 -28.389 22 2HD1 LEU 4 HD12 LEU 4 6.318 -0.323 -29.896 23 3HD1 LEU 4 HD13 LEU 4 7.465 0.736 -29.077 24 1HD2 LEU 4 HD21 LEU 4 9.322 0.823 -30.887 25 2HD2 LEU 4 HD22 LEU 4 10.422 -0.506 -30.511 26 3HD2 LEU 4 HD23 LEU 4 9.732 0.466 -29.209 27 H ALA 5 HN ALA 5 10.218 -4.729 -31.885 28 HA ALA 5 HA ALA 5 10.864 -6.912 -30.218 29 1HB ALA 5 HB1 ALA 5 11.061 -6.969 -32.665 30 2HB ALA 5 HB2 ALA 5 12.557 -7.450 -31.866 31 3HB ALA 5 HB3 ALA 5 12.414 -5.840 -32.571 32 H SER 6 HN SER 6 11.692 -6.426 -28.245 33 HA SER 6 HA SER 6 13.684 -4.415 -27.845 34 1HB SER 6 HB2 SER 6 13.442 -6.475 -25.758 35 2HB SER 6 HB1 SER 6 13.273 -4.724 -25.641 36 HG SER 6 HG SER 6 11.251 -5.359 -25.332 37 H GLN 7 HN GLN 7 15.870 -4.612 -27.658 38 HA GLN 7 HA GLN 7 17.021 -7.097 -28.640 39 1HB GLN 7 HB2 GLN 7 17.690 -4.859 -29.556 40 2HB GLN 7 HB1 GLN 7 18.437 -4.505 -28.007 41 1HG GLN 7 HG2 GLN 7 19.287 -7.048 -29.145 42 2HG GLN 7 HG1 GLN 7 19.670 -5.656 -30.159 43 1HE2 GLN 7 HE21 GLN 7 20.662 -3.787 -28.927 44 2HE2 GLN 7 HE22 GLN 7 21.873 -4.190 -27.763 45 H GLY 8 HN GLY 8 18.397 -4.881 -26.225 46 1HA GLY 8 HA2 GLY 8 19.190 -7.212 -24.650 47 2HA GLY 8 HA1 GLY 8 19.802 -5.575 -24.460 48 H GLN 9 HN GLN 9 17.778 -7.900 -23.192 49 HA GLN 9 HA GLN 9 15.882 -6.101 -21.971 50 1HB GLN 9 HB2 GLN 9 15.245 -8.236 -20.675 51 2HB GLN 9 HB1 GLN 9 14.924 -8.180 -22.399 52 1HG GLN 9 HG2 GLN 9 15.856 -10.224 -22.333 53 2HG GLN 9 HG1 GLN 9 17.348 -9.303 -22.460 54 1HE2 GLN 9 HE21 GLN 9 18.505 -8.837 -20.490 55 2HE2 GLN 9 HE22 GLN 9 18.403 -9.939 -19.162 56 H ASN 10 HN ASN 10 18.295 -5.156 -21.294 57 HA ASN 10 HA ASN 10 19.265 -6.187 -18.823 58 1HB ASN 10 HB2 ASN 10 19.773 -3.620 -20.321 59 2HB ASN 10 HB1 ASN 10 20.536 -3.982 -18.777 60 1HD2 ASN 10 HD21 ASN 10 21.881 -3.522 -21.218 61 2HD2 ASN 10 HD22 ASN 10 22.724 -4.971 -21.636 62 H LEU 11 HN LEU 11 18.073 -2.923 -19.471 63 HA LEU 11 HA LEU 11 17.306 -2.423 -16.806 64 1HB LEU 11 HB2 LEU 11 16.553 -1.075 -19.393 65 2HB LEU 11 HB1 LEU 11 16.065 -0.476 -17.817 66 HG LEU 11 HG LEU 11 18.898 -0.738 -18.827 67 1HD1 LEU 11 HD11 LEU 11 16.923 1.380 -18.917 68 2HD1 LEU 11 HD12 LEU 11 18.490 1.260 -19.718 69 3HD1 LEU 11 HD13 LEU 11 18.388 1.878 -18.071 70 1HD2 LEU 11 HD21 LEU 11 17.794 -0.443 -16.131 71 2HD2 LEU 11 HD22 LEU 11 19.005 0.767 -16.556 72 3HD2 LEU 11 HD23 LEU 11 19.401 -0.950 -16.653 73 H SER 12 HN SER 12 15.738 -4.080 -19.371 74 HA SER 12 HA SER 12 13.046 -3.697 -18.571 75 1HB SER 12 HB2 SER 12 14.503 -5.358 -20.498 76 2HB SER 12 HB1 SER 12 13.075 -6.149 -19.832 77 HG SER 12 HG SER 12 12.379 -4.990 -21.568 78 H THR 13 HN THR 13 15.516 -6.069 -17.748 79 HA THR 13 HA THR 13 13.661 -7.508 -16.018 80 HB THR 13 HB THR 13 16.575 -8.058 -16.608 81 HG1 THR 13 HG1 THR 13 15.038 -8.212 -18.405 82 1HG2 THR 13 HG21 THR 13 16.049 -10.348 -15.869 83 2HG2 THR 13 HG22 THR 13 14.468 -9.780 -15.328 84 3HG2 THR 13 HG23 THR 13 15.936 -9.157 -14.573 85 H VAL 14 HN VAL 14 15.695 -4.868 -15.745 86 HA VAL 14 HA VAL 14 16.768 -5.376 -13.145 87 HB VAL 14 HB VAL 14 16.493 -2.808 -14.713 88 1HG1 VAL 14 HG11 VAL 14 16.986 -1.672 -12.867 89 2HG1 VAL 14 HG12 VAL 14 18.504 -2.564 -12.753 90 3HG1 VAL 14 HG13 VAL 14 17.064 -3.164 -11.929 91 1HG2 VAL 14 HG21 VAL 14 19.160 -3.813 -14.147 92 2HG2 VAL 14 HG22 VAL 14 18.439 -3.324 -15.678 93 3HG2 VAL 14 HG23 VAL 14 18.188 -4.959 -15.070 94 H LEU 15 HN LEU 15 14.069 -3.369 -14.344 95 HA LEU 15 HA LEU 15 13.245 -2.750 -11.646 96 1HB LEU 15 HB2 LEU 15 12.957 -1.400 -13.941 97 2HB LEU 15 HB1 LEU 15 11.418 -2.243 -13.924 98 HG LEU 15 HG LEU 15 11.226 -1.319 -11.495 99 1HD1 LEU 15 HD11 LEU 15 12.670 1.060 -12.356 100 2HD1 LEU 15 HD12 LEU 15 13.717 -0.332 -12.081 101 3HD1 LEU 15 HD13 LEU 15 12.656 0.244 -10.793 102 1HD2 LEU 15 HD21 LEU 15 10.546 0.982 -12.661 103 2HD2 LEU 15 HD22 LEU 15 9.591 -0.491 -12.825 104 3HD2 LEU 15 HD23 LEU 15 10.714 -0.021 -14.102 105 H ALA 16 HN ALA 16 12.424 -5.057 -14.117 106 HA ALA 16 HA ALA 16 9.933 -5.852 -12.943 107 1HB ALA 16 HB1 ALA 16 10.011 -7.701 -14.558 108 2HB ALA 16 HB2 ALA 16 11.651 -7.229 -15.003 109 3HB ALA 16 HB3 ALA 16 10.303 -6.138 -15.320 110 H ASN 17 HN ASN 17 11.519 -5.885 -10.832 111 HA ASN 17 HA ASN 17 12.022 -8.739 -10.343 112 1HB ASN 17 HB2 ASN 17 13.933 -6.692 -10.300 113 2HB ASN 17 HB1 ASN 17 13.583 -7.023 -8.609 114 1HD2 ASN 17 HD21 ASN 17 14.734 -8.569 -7.708 115 2HD2 ASN 17 HD22 ASN 17 15.522 -9.865 -8.533 116 H LEU 18 HN LEU 18 11.662 -5.660 -8.549 117 HA LEU 18 HA LEU 18 9.752 -7.043 -6.776 118 1HB LEU 18 HB2 LEU 18 11.473 -4.728 -5.918 119 2HB LEU 18 HB1 LEU 18 10.499 -5.775 -4.915 120 HG LEU 18 HG LEU 18 12.659 -6.462 -4.459 121 1HD1 LEU 18 HD11 LEU 18 11.007 -8.263 -5.419 122 2HD1 LEU 18 HD12 LEU 18 12.671 -8.673 -5.005 123 3HD1 LEU 18 HD13 LEU 18 12.228 -8.381 -6.685 124 1HD2 LEU 18 HD21 LEU 18 14.225 -5.603 -5.795 125 2HD2 LEU 18 HD22 LEU 18 13.167 -5.621 -7.205 126 3HD2 LEU 18 HD23 LEU 18 14.036 -7.080 -6.737 127 H THR 19 HN THR 19 7.887 -6.340 -7.842 128 HA THR 19 HA THR 19 7.556 -3.534 -8.439 129 HB THR 19 HB THR 19 5.615 -5.839 -8.678 130 HG1 THR 19 HG1 THR 19 7.289 -6.047 -10.127 131 1HG2 THR 19 HG21 THR 19 4.452 -4.302 -10.290 132 2HG2 THR 19 HG22 THR 19 5.396 -2.988 -9.589 133 3HG2 THR 19 HG23 THR 19 4.273 -3.903 -8.580 134 HA PRO 20 HA PRO 20 4.211 -3.842 -4.976 135 1HB PRO 20 HB2 PRO 20 4.285 -5.996 -3.320 136 2HB PRO 20 HB1 PRO 20 3.309 -5.945 -4.794 137 1HG PRO 20 HG2 PRO 20 5.993 -7.193 -4.343 138 2HG PRO 20 HG1 PRO 20 4.591 -7.839 -5.216 139 1HD PRO 20 HD2 PRO 20 6.693 -6.729 -6.489 140 2HD PRO 20 HD1 PRO 20 5.034 -6.595 -7.107 141 H GLU 21 HN GLU 21 7.507 -4.740 -4.648 142 HA GLU 21 HA GLU 21 7.786 -4.143 -1.861 143 1HB GLU 21 HB2 GLU 21 9.359 -5.637 -2.959 144 2HB GLU 21 HB1 GLU 21 9.829 -4.362 -4.074 145 1HG GLU 21 HG2 GLU 21 10.296 -3.228 -1.619 146 2HG GLU 21 HG1 GLU 21 10.748 -4.913 -1.374 147 H GLN 22 HN GLN 22 8.683 -2.432 -4.853 148 HA GLN 22 HA GLN 22 9.468 -0.065 -3.431 149 1HB GLN 22 HB2 GLN 22 8.952 -0.481 -6.383 150 2HB GLN 22 HB1 GLN 22 9.739 0.920 -5.668 151 1HG GLN 22 HG2 GLN 22 10.791 -1.882 -5.407 152 2HG GLN 22 HG1 GLN 22 11.264 -0.780 -6.700 153 1HE2 GLN 22 HE21 GLN 22 13.369 -1.410 -5.565 154 2HE2 GLN 22 HE22 GLN 22 13.909 -0.331 -4.328 155 H GLN 23 HN GLN 23 6.632 -1.147 -5.200 156 HA GLN 23 HA GLN 23 5.277 1.327 -5.251 157 1HB GLN 23 HB2 GLN 23 4.724 -0.672 -6.656 158 2HB GLN 23 HB1 GLN 23 4.027 -1.423 -5.226 159 1HG GLN 23 HG2 GLN 23 2.206 -0.524 -6.362 160 2HG GLN 23 HG1 GLN 23 2.535 0.636 -5.077 161 1HE2 GLN 23 HE21 GLN 23 3.778 2.545 -5.654 162 2HE2 GLN 23 HE22 GLN 23 3.624 3.202 -7.243 163 H LYS 24 HN LYS 24 4.896 -1.468 -3.046 164 HA LYS 24 HA LYS 24 2.990 -0.286 -1.371 165 1HB LYS 24 HB2 LYS 24 4.989 -2.483 -0.982 166 2HB LYS 24 HB1 LYS 24 4.048 -1.905 0.383 167 1HG LYS 24 HG2 LYS 24 2.796 -2.860 -2.176 168 2HG LYS 24 HG1 LYS 24 3.138 -3.919 -0.805 169 1HD LYS 24 HD2 LYS 24 1.049 -3.354 -0.179 170 2HD LYS 24 HD1 LYS 24 1.844 -1.908 0.445 171 1HE LYS 24 HE2 LYS 24 -0.060 -1.224 -0.822 172 2HE LYS 24 HE1 LYS 24 1.380 -0.795 -1.735 173 1HZ LYS 24 HZ1 LYS 24 0.276 -1.790 -3.396 174 2HZ LYS 24 HZ2 LYS 24 -0.704 -2.702 -2.363 175 3HZ LYS 24 HZ3 LYS 24 0.867 -3.218 -2.710 176 H ASN 25 HN ASN 25 6.399 0.178 -1.596 177 HA ASN 25 HA ASN 25 6.696 1.338 1.014 178 1HB ASN 25 HB2 ASN 25 8.460 0.931 -1.359 179 2HB ASN 25 HB1 ASN 25 8.935 2.124 -0.155 180 1HD2 ASN 25 HD21 ASN 25 10.709 0.341 -0.271 181 2HD2 ASN 25 HD22 ASN 25 10.582 -0.881 0.944 182 H VAL 26 HN VAL 26 6.798 2.662 -2.306 183 HA VAL 26 HA VAL 26 7.063 5.339 -1.630 184 HB VAL 26 HB VAL 26 7.101 4.206 -3.954 185 1HG1 VAL 26 HG11 VAL 26 4.851 3.346 -4.004 186 2HG1 VAL 26 HG12 VAL 26 5.054 4.543 -5.279 187 3HG1 VAL 26 HG13 VAL 26 4.195 4.966 -3.803 188 1HG2 VAL 26 HG21 VAL 26 7.692 6.348 -4.229 189 2HG2 VAL 26 HG22 VAL 26 6.427 6.938 -3.150 190 3HG2 VAL 26 HG23 VAL 26 6.048 6.559 -4.830 191 H LEU 27 HN LEU 27 4.115 3.424 -1.995 192 HA LEU 27 HA LEU 27 2.400 5.646 -1.370 193 1HB LEU 27 HB2 LEU 27 1.737 2.704 -1.446 194 2HB LEU 27 HB1 LEU 27 0.590 4.030 -1.454 195 HG LEU 27 HG LEU 27 2.519 3.297 -3.655 196 1HD1 LEU 27 HD11 LEU 27 0.697 2.543 -4.851 197 2HD1 LEU 27 HD12 LEU 27 -0.452 3.469 -3.888 198 3HD1 LEU 27 HD13 LEU 27 0.299 2.025 -3.212 199 1HD2 LEU 27 HD21 LEU 27 0.987 5.149 -4.791 200 2HD2 LEU 27 HD22 LEU 27 2.490 5.556 -3.966 201 3HD2 LEU 27 HD23 LEU 27 0.950 5.761 -3.138 202 H GLY 28 HN GLY 28 3.349 2.646 0.315 203 1HA GLY 28 HA2 GLY 28 1.897 3.100 2.665 204 2HA GLY 28 HA1 GLY 28 3.332 2.094 2.541 205 H GLU 29 HN GLU 29 5.305 3.896 1.960 206 HA GLU 29 HA GLU 29 5.937 4.967 4.457 207 1HB GLU 29 HB2 GLU 29 6.963 5.663 1.702 208 2HB GLU 29 HB1 GLU 29 7.654 6.320 3.179 209 1HG GLU 29 HG2 GLU 29 7.618 3.603 3.640 210 2HG GLU 29 HG1 GLU 29 8.035 3.730 1.932 211 H ARG 30 HN ARG 30 4.813 6.652 1.534 212 HA ARG 30 HA ARG 30 4.520 9.165 2.828 213 1HB ARG 30 HB2 ARG 30 3.158 8.262 0.284 214 2HB ARG 30 HB1 ARG 30 3.486 9.916 0.793 215 1HG ARG 30 HG2 ARG 30 5.614 7.875 0.180 216 2HG ARG 30 HG1 ARG 30 5.023 9.081 -0.961 217 1HD ARG 30 HD2 ARG 30 5.680 10.833 0.716 218 2HD ARG 30 HD1 ARG 30 6.470 9.553 1.639 219 HE ARG 30 HE ARG 30 7.705 9.189 -0.614 220 1HH1 ARG 30 HH11 ARG 30 6.791 12.271 0.762 221 2HH1 ARG 30 HH12 ARG 30 8.075 13.133 -0.014 222 1HH2 ARG 30 HH21 ARG 30 9.390 10.328 -1.626 223 2HH2 ARG 30 HH22 ARG 30 9.550 12.032 -1.366 224 H LEU 31 HN LEU 31 2.602 6.338 2.848 225 HA LEU 31 HA LEU 31 0.067 7.615 3.194 226 1HB LEU 31 HB2 LEU 31 1.016 5.008 2.757 227 2HB LEU 31 HB1 LEU 31 0.189 4.955 4.290 228 HG LEU 31 HG LEU 31 -1.519 6.355 2.589 229 1HD1 LEU 31 HD11 LEU 31 -1.794 4.996 0.657 230 2HD1 LEU 31 HD12 LEU 31 -0.545 3.881 1.204 231 3HD1 LEU 31 HD13 LEU 31 -0.112 5.520 0.723 232 1HD2 LEU 31 HD21 LEU 31 -1.799 3.421 3.083 233 2HD2 LEU 31 HD22 LEU 31 -3.033 4.681 3.106 234 3HD2 LEU 31 HD23 LEU 31 -1.875 4.558 4.430 235 H TYR 32 HN TYR 32 2.044 5.641 5.402 236 HA TYR 32 HA TYR 32 0.699 6.090 7.737 237 1HB TYR 32 HB2 TYR 32 2.752 4.612 7.228 238 2HB TYR 32 HB1 TYR 32 3.714 6.024 7.644 239 HD1 TYR 32 HD1 TYR 32 3.530 6.964 9.982 240 HD2 TYR 32 HD2 TYR 32 1.830 3.216 8.887 241 HE1 TYR 32 HE1 TYR 32 3.425 6.320 12.355 242 HE2 TYR 32 HE2 TYR 32 1.718 2.569 11.257 243 HH TYR 32 HH TYR 32 1.807 4.542 13.711 244 H ASN 33 HN ASN 33 2.863 8.296 6.096 245 HA ASN 33 HA ASN 33 3.275 10.080 8.260 246 1HB ASN 33 HB2 ASN 33 4.859 10.254 6.561 247 2HB ASN 33 HB1 ASN 33 3.646 10.220 5.289 248 1HD2 ASN 33 HD21 ASN 33 2.167 12.142 5.241 249 2HD2 ASN 33 HD22 ASN 33 2.882 13.687 5.546 250 H HIS 34 HN HIS 34 0.870 10.028 5.663 251 HA HIS 34 HA HIS 34 -0.203 12.576 6.154 252 1HB HIS 34 HB2 HIS 34 -2.098 11.852 4.870 253 2HB HIS 34 HB1 HIS 34 -0.661 11.162 4.129 254 HD1 HIS 34 HD1 HIS 34 -1.049 8.792 3.463 255 HD2 HIS 34 HD2 HIS 34 -3.213 9.842 6.822 256 HE1 HIS 34 HE1 HIS 34 -2.263 6.698 4.196 257 HE2 HIS 34 HE2 HIS 34 -3.447 7.342 6.289 258 H ILE 35 HN ILE 35 -0.885 9.438 7.487 259 HA ILE 35 HA ILE 35 -3.003 10.468 9.196 260 HB ILE 35 HB ILE 35 -3.560 8.425 8.118 261 1HG1 ILE 35 HG12 ILE 35 -2.978 7.079 10.637 262 2HG1 ILE 35 HG11 ILE 35 -3.618 8.698 10.883 263 1HG2 ILE 35 HG21 ILE 35 -2.204 6.387 8.383 264 2HG2 ILE 35 HG22 ILE 35 -0.986 7.334 9.223 265 3HG2 ILE 35 HG23 ILE 35 -1.353 7.665 7.536 266 1HD1 ILE 35 HD11 ILE 35 -5.664 8.151 10.124 267 2HD1 ILE 35 HD12 ILE 35 -5.154 6.534 10.609 268 3HD1 ILE 35 HD13 ILE 35 -5.040 7.024 8.919 269 H VAL 36 HN VAL 36 0.311 9.265 9.520 270 HA VAL 36 HA VAL 36 0.386 8.575 12.173 271 HB VAL 36 HB VAL 36 2.379 8.430 10.736 272 1HG1 VAL 36 HG11 VAL 36 3.735 10.306 10.210 273 2HG1 VAL 36 HG12 VAL 36 2.750 11.378 11.204 274 3HG1 VAL 36 HG13 VAL 36 2.091 10.699 9.718 275 1HG2 VAL 36 HG21 VAL 36 3.972 9.550 12.527 276 2HG2 VAL 36 HG22 VAL 36 3.038 8.101 12.888 277 3HG2 VAL 36 HG23 VAL 36 2.461 9.675 13.427 278 H ALA 37 HN ALA 37 0.735 11.873 10.875 279 HA ALA 37 HA ALA 37 0.777 13.052 13.492 280 1HB ALA 37 HB1 ALA 37 0.670 15.194 12.266 281 2HB ALA 37 HB2 ALA 37 0.467 14.296 10.762 282 3HB ALA 37 HB3 ALA 37 1.959 14.138 11.692 283 H ILE 38 HN ILE 38 -1.658 12.102 11.253 284 HA ILE 38 HA ILE 38 -3.677 13.851 12.414 285 HB ILE 38 HB ILE 38 -3.756 11.830 10.192 286 1HG1 ILE 38 HG12 ILE 38 -4.416 13.751 8.846 287 2HG1 ILE 38 HG11 ILE 38 -4.486 14.764 10.283 288 1HG2 ILE 38 HG21 ILE 38 -6.237 12.964 10.119 289 2HG2 ILE 38 HG22 ILE 38 -5.994 12.734 11.851 290 3HG2 ILE 38 HG23 ILE 38 -5.877 11.358 10.754 291 1HD1 ILE 38 HD11 ILE 38 -2.379 14.584 8.584 292 2HD1 ILE 38 HD12 ILE 38 -1.901 13.473 9.864 293 3HD1 ILE 38 HD13 ILE 38 -2.290 15.148 10.250 294 H ASN 39 HN ASN 39 -3.685 10.325 11.853 295 HA ASN 39 HA ASN 39 -4.839 10.004 14.544 296 1HB ASN 39 HB2 ASN 39 -6.508 9.666 12.686 297 2HB ASN 39 HB1 ASN 39 -5.547 8.286 12.164 298 1HD2 ASN 39 HD21 ASN 39 -7.764 7.339 12.592 299 2HD2 ASN 39 HD22 ASN 39 -8.026 6.695 14.173 300 HA PRO 40 HA PRO 40 -0.804 7.694 14.364 301 1HB PRO 40 HB2 PRO 40 -1.313 7.968 17.282 302 2HB PRO 40 HB1 PRO 40 0.179 8.214 16.371 303 1HG PRO 40 HG2 PRO 40 -1.246 10.284 17.281 304 2HG PRO 40 HG1 PRO 40 -0.409 10.351 15.722 305 1HD PRO 40 HD2 PRO 40 -3.310 10.034 16.306 306 2HD PRO 40 HD1 PRO 40 -2.511 10.835 14.938 307 H ALA 41 HN ALA 41 -3.678 7.188 16.389 308 HA ALA 41 HA ALA 41 -3.070 4.365 16.713 309 1HB ALA 41 HB1 ALA 41 -4.988 4.276 18.153 310 2HB ALA 41 HB2 ALA 41 -5.523 5.868 17.613 311 3HB ALA 41 HB3 ALA 41 -4.044 5.709 18.560 312 H ALA 42 HN ALA 42 -3.321 4.950 14.066 313 HA ALA 42 HA ALA 42 -5.449 3.198 13.276 314 1HB ALA 42 HB1 ALA 42 -6.278 4.928 11.556 315 2HB ALA 42 HB2 ALA 42 -5.573 6.126 12.640 316 3HB ALA 42 HB3 ALA 42 -6.851 5.058 13.218 317 H ALA 43 HN ALA 43 -2.957 5.488 12.377 318 HA ALA 43 HA ALA 43 -2.316 5.063 9.828 319 1HB ALA 43 HB1 ALA 43 -0.954 5.999 12.047 320 2HB ALA 43 HB2 ALA 43 -0.395 6.061 10.377 321 3HB ALA 43 HB3 ALA 43 0.086 4.726 11.416 322 H ALA 44 HN ALA 44 -1.310 2.848 12.423 323 HA ALA 44 HA ALA 44 0.058 1.006 10.919 324 1HB ALA 44 HB1 ALA 44 -1.620 0.570 13.380 325 2HB ALA 44 HB2 ALA 44 0.107 0.922 13.306 326 3HB ALA 44 HB3 ALA 44 -0.503 -0.622 12.711 327 H LYS 45 HN LYS 45 -3.399 1.415 11.210 328 HA LYS 45 HA LYS 45 -3.979 -1.118 9.933 329 1HB LYS 45 HB2 LYS 45 -5.776 1.142 10.811 330 2HB LYS 45 HB1 LYS 45 -6.349 -0.358 10.095 331 1HG LYS 45 HG2 LYS 45 -4.587 -0.539 12.475 332 2HG LYS 45 HG1 LYS 45 -6.254 -0.001 12.705 333 1HD LYS 45 HD2 LYS 45 -7.011 -2.033 11.482 334 2HD LYS 45 HD1 LYS 45 -5.335 -2.582 11.441 335 1HE LYS 45 HE2 LYS 45 -5.969 -1.860 14.116 336 2HE LYS 45 HE1 LYS 45 -7.256 -2.899 13.507 337 1HZ LYS 45 HZ1 LYS 45 -4.419 -3.628 13.150 338 2HZ LYS 45 HZ2 LYS 45 -5.781 -4.629 13.119 339 3HZ LYS 45 HZ3 LYS 45 -5.236 -3.991 14.587 340 H VAL 46 HN VAL 46 -4.343 2.331 9.117 341 HA VAL 46 HA VAL 46 -5.494 1.920 6.588 342 HB VAL 46 HB VAL 46 -5.561 4.097 7.670 343 1HG1 VAL 46 HG11 VAL 46 -2.662 4.463 7.013 344 2HG1 VAL 46 HG12 VAL 46 -3.212 3.876 8.582 345 3HG1 VAL 46 HG13 VAL 46 -3.708 5.469 8.016 346 1HG2 VAL 46 HG21 VAL 46 -5.979 4.650 5.545 347 2HG2 VAL 46 HG22 VAL 46 -4.625 3.706 4.929 348 3HG2 VAL 46 HG23 VAL 46 -4.352 5.327 5.562 349 H THR 47 HN THR 47 -2.106 2.137 7.586 350 HA THR 47 HA THR 47 -1.105 2.031 4.902 351 HB THR 47 HB THR 47 0.407 1.439 7.448 352 HG1 THR 47 HG1 THR 47 -0.274 3.414 7.870 353 1HG2 THR 47 HG21 THR 47 1.608 0.952 5.354 354 2HG2 THR 47 HG22 THR 47 2.342 2.255 6.289 355 3HG2 THR 47 HG23 THR 47 1.376 2.629 4.861 356 H GLY 48 HN GLY 48 -1.083 -0.265 7.624 357 1HA GLY 48 HA2 GLY 48 0.014 -2.434 6.230 358 2HA GLY 48 HA1 GLY 48 -0.947 -2.553 7.696 359 H MET 49 HN MET 49 -3.324 -1.448 6.690 360 HA MET 49 HA MET 49 -4.296 -3.729 5.169 361 1HB MET 49 HB2 MET 49 -5.901 -1.429 6.287 362 2HB MET 49 HB1 MET 49 -6.505 -2.992 5.761 363 1HG MET 49 HG2 MET 49 -4.588 -2.676 8.047 364 2HG MET 49 HG1 MET 49 -6.339 -2.633 8.246 365 1HE MET 49 HE1 MET 49 -3.705 -6.258 7.339 366 2HE MET 49 HE2 MET 49 -3.280 -4.892 8.373 367 3HE MET 49 HE3 MET 49 -3.448 -4.663 6.633 368 H LEU 50 HN LEU 50 -4.224 -0.201 4.968 369 HA LEU 50 HA LEU 50 -5.063 1.167 3.248 370 1HB LEU 50 HB2 LEU 50 -2.650 1.185 3.181 371 2HB LEU 50 HB1 LEU 50 -2.635 -0.240 2.160 372 HG LEU 50 HG LEU 50 -3.814 1.082 0.395 373 1HD1 LEU 50 HD11 LEU 50 -3.068 3.683 1.281 374 2HD1 LEU 50 HD12 LEU 50 -4.106 2.946 2.498 375 3HD1 LEU 50 HD13 LEU 50 -4.662 3.081 0.829 376 1HD2 LEU 50 HD21 LEU 50 -1.122 2.025 1.361 377 2HD2 LEU 50 HD22 LEU 50 -1.803 2.432 -0.214 378 3HD2 LEU 50 HD23 LEU 50 -1.458 0.750 0.189 379 H LEU 51 HN LEU 51 -3.934 -1.722 1.462 380 HA LEU 51 HA LEU 51 -5.970 -1.333 -0.519 381 1HB LEU 51 HB2 LEU 51 -3.826 -3.402 -0.097 382 2HB LEU 51 HB1 LEU 51 -4.999 -3.525 -1.397 383 HG LEU 51 HG LEU 51 -4.176 -1.143 -2.024 384 1HD1 LEU 51 HD11 LEU 51 -1.925 -2.120 -0.307 385 2HD1 LEU 51 HD12 LEU 51 -2.862 -0.637 -0.123 386 3HD1 LEU 51 HD13 LEU 51 -1.777 -0.829 -1.500 387 1HD2 LEU 51 HD21 LEU 51 -2.598 -3.656 -2.472 388 2HD2 LEU 51 HD22 LEU 51 -2.309 -2.149 -3.345 389 3HD2 LEU 51 HD23 LEU 51 -3.861 -2.975 -3.499 390 H GLU 52 HN GLU 52 -7.719 -1.486 1.120 391 HA GLU 52 HA GLU 52 -8.351 -4.238 1.896 392 1HB GLU 52 HB2 GLU 52 -9.396 -1.553 2.774 393 2HB GLU 52 HB1 GLU 52 -10.225 -3.048 3.182 394 1HG GLU 52 HG2 GLU 52 -7.331 -2.834 3.799 395 2HG GLU 52 HG1 GLU 52 -8.472 -1.943 4.803 396 H MET 53 HN MET 53 -10.910 -4.510 1.925 397 HA MET 53 HA MET 53 -11.724 -4.895 -0.689 398 1HB MET 53 HB2 MET 53 -13.977 -4.401 1.104 399 2HB MET 53 HB1 MET 53 -13.532 -5.861 0.239 400 1HG MET 53 HG2 MET 53 -13.401 -6.517 2.423 401 2HG MET 53 HG1 MET 53 -11.733 -6.111 2.080 402 1HE MET 53 HE1 MET 53 -14.583 -3.063 3.523 403 2HE MET 53 HE2 MET 53 -14.861 -4.395 4.644 404 3HE MET 53 HE3 MET 53 -15.014 -4.658 2.907 405 H ASP 54 HN ASP 54 -12.998 -2.371 1.511 406 HA ASP 54 HA ASP 54 -13.971 -0.906 -0.805 407 1HB ASP 54 HB2 ASP 54 -15.020 0.576 0.892 408 2HB ASP 54 HB1 ASP 54 -15.554 -1.095 0.956 409 H ASN 55 HN ASN 55 -12.246 0.122 2.167 410 HA ASN 55 HA ASN 55 -11.343 2.550 1.298 411 1HB ASN 55 HB2 ASN 55 -11.021 1.756 3.591 412 2HB ASN 55 HB1 ASN 55 -9.837 0.577 3.032 413 1HD2 ASN 55 HD21 ASN 55 -8.107 1.334 4.137 414 2HD2 ASN 55 HD22 ASN 55 -7.381 2.878 3.860 415 H GLY 56 HN GLY 56 -10.245 -0.593 0.318 416 1HA GLY 56 HA2 GLY 56 -7.735 0.234 -0.744 417 2HA GLY 56 HA1 GLY 56 -8.560 -1.276 -1.083 418 H GLU 57 HN GLU 57 -10.598 -0.957 -2.548 419 HA GLU 57 HA GLU 57 -9.996 -0.469 -5.066 420 1HB GLU 57 HB2 GLU 57 -12.531 0.552 -3.794 421 2HB GLU 57 HB1 GLU 57 -12.283 0.321 -5.519 422 1HG GLU 57 HG2 GLU 57 -11.980 -1.922 -3.552 423 2HG GLU 57 HG1 GLU 57 -13.532 -1.503 -4.276 424 H ILE 58 HN ILE 58 -11.152 2.211 -3.022 425 HA ILE 58 HA ILE 58 -10.807 4.267 -4.871 426 HB ILE 58 HB ILE 58 -10.535 4.401 -1.865 427 1HG1 ILE 58 HG12 ILE 58 -12.668 3.452 -2.523 428 2HG1 ILE 58 HG11 ILE 58 -12.915 5.094 -1.937 429 1HG2 ILE 58 HG21 ILE 58 -9.728 6.368 -3.409 430 2HG2 ILE 58 HG22 ILE 58 -10.671 6.692 -1.957 431 3HG2 ILE 58 HG23 ILE 58 -11.457 6.691 -3.536 432 1HD1 ILE 58 HD11 ILE 58 -13.412 3.940 -4.570 433 2HD1 ILE 58 HD12 ILE 58 -12.586 5.498 -4.610 434 3HD1 ILE 58 HD13 ILE 58 -14.138 5.344 -3.787 435 H LEU 59 HN LEU 59 -8.569 2.904 -2.518 436 HA LEU 59 HA LEU 59 -6.434 4.485 -2.433 437 1HB LEU 59 HB2 LEU 59 -5.193 2.655 -1.862 438 2HB LEU 59 HB1 LEU 59 -6.809 2.009 -1.680 439 HG LEU 59 HG LEU 59 -6.419 1.295 -4.218 440 1HD1 LEU 59 HD11 LEU 59 -4.025 2.430 -3.811 441 2HD1 LEU 59 HD12 LEU 59 -4.268 1.064 -4.900 442 3HD1 LEU 59 HD13 LEU 59 -3.661 0.793 -3.267 443 1HD2 LEU 59 HD21 LEU 59 -5.719 -0.026 -1.661 444 2HD2 LEU 59 HD22 LEU 59 -5.272 -0.820 -3.170 445 3HD2 LEU 59 HD23 LEU 59 -6.954 -0.436 -2.846 446 H ASN 60 HN ASN 60 -7.355 2.560 -5.208 447 HA ASN 60 HA ASN 60 -5.161 2.633 -6.808 448 1HB ASN 60 HB2 ASN 60 -7.439 1.611 -7.275 449 2HB ASN 60 HB1 ASN 60 -7.922 3.197 -7.871 450 1HD2 ASN 60 HD21 ASN 60 -7.782 0.729 -9.328 451 2HD2 ASN 60 HD22 ASN 60 -6.651 0.969 -10.613 452 H LEU 61 HN LEU 61 -7.204 5.327 -5.976 453 HA LEU 61 HA LEU 61 -5.528 7.041 -7.686 454 1HB LEU 61 HB2 LEU 61 -8.397 7.608 -6.975 455 2HB LEU 61 HB1 LEU 61 -7.395 8.464 -8.128 456 HG LEU 61 HG LEU 61 -7.608 5.659 -8.823 457 1HD1 LEU 61 HD11 LEU 61 -10.201 6.799 -9.402 458 2HD1 LEU 61 HD12 LEU 61 -9.935 6.630 -7.667 459 3HD1 LEU 61 HD13 LEU 61 -9.784 5.227 -8.722 460 1HD2 LEU 61 HD21 LEU 61 -8.154 8.298 -10.137 461 2HD2 LEU 61 HD22 LEU 61 -8.530 6.772 -10.936 462 3HD2 LEU 61 HD23 LEU 61 -6.868 7.139 -10.471 463 H LEU 62 HN LEU 62 -4.520 6.650 -5.282 464 HA LEU 62 HA LEU 62 -5.158 7.735 -2.980 465 1HB LEU 62 HB2 LEU 62 -2.607 8.253 -4.474 466 2HB LEU 62 HB1 LEU 62 -2.823 8.703 -2.795 467 HG LEU 62 HG LEU 62 -3.400 5.890 -3.501 468 1HD1 LEU 62 HD11 LEU 62 -0.612 7.025 -3.474 469 2HD1 LEU 62 HD12 LEU 62 -1.421 6.215 -4.820 470 3HD1 LEU 62 HD13 LEU 62 -0.996 5.307 -3.367 471 1HD2 LEU 62 HD21 LEU 62 -2.174 5.549 -1.345 472 2HD2 LEU 62 HD22 LEU 62 -3.623 6.543 -1.216 473 3HD2 LEU 62 HD23 LEU 62 -2.031 7.302 -1.218 474 H ASP 63 HN ASP 63 -6.775 9.282 -3.069 475 HA ASP 63 HA ASP 63 -5.995 11.942 -4.045 476 1HB ASP 63 HB2 ASP 63 -8.418 10.412 -4.243 477 2HB ASP 63 HB1 ASP 63 -8.746 11.910 -3.378 478 H THR 64 HN THR 64 -7.192 13.755 -2.766 479 HA THR 64 HA THR 64 -6.180 13.622 -0.099 480 HB THR 64 HB THR 64 -8.039 15.800 -0.921 481 HG1 THR 64 HG1 THR 64 -5.384 15.841 -1.841 482 1HG2 THR 64 HG21 THR 64 -6.692 17.197 0.328 483 2HG2 THR 64 HG22 THR 64 -5.304 16.114 0.230 484 3HG2 THR 64 HG23 THR 64 -6.680 15.696 1.251 485 HA PRO 65 HA PRO 65 -10.762 13.666 1.196 486 1HB PRO 65 HB2 PRO 65 -12.693 13.341 -0.680 487 2HB PRO 65 HB1 PRO 65 -12.062 14.920 -0.207 488 1HG PRO 65 HG2 PRO 65 -11.502 13.304 -2.636 489 2HG PRO 65 HG1 PRO 65 -11.575 15.061 -2.445 490 1HD PRO 65 HD2 PRO 65 -9.244 13.557 -2.581 491 2HD PRO 65 HD1 PRO 65 -9.371 15.197 -1.926 492 H GLY 66 HN GLY 66 -11.097 11.710 -1.772 493 1HA GLY 66 HA2 GLY 66 -12.367 9.541 -0.756 494 2HA GLY 66 HA1 GLY 66 -11.208 9.432 -2.070 495 H LEU 67 HN LEU 67 -8.804 9.655 -1.097 496 HA LEU 67 HA LEU 67 -8.322 7.273 0.251 497 1HB LEU 67 HB2 LEU 67 -6.841 9.366 -0.905 498 2HB LEU 67 HB1 LEU 67 -6.214 9.162 0.716 499 HG LEU 67 HG LEU 67 -5.063 7.854 -1.096 500 1HD1 LEU 67 HD11 LEU 67 -4.364 6.533 0.549 501 2HD1 LEU 67 HD12 LEU 67 -5.914 5.694 0.607 502 3HD1 LEU 67 HD13 LEU 67 -5.675 7.173 1.529 503 1HD2 LEU 67 HD21 LEU 67 -7.322 5.919 -0.955 504 2HD2 LEU 67 HD22 LEU 67 -6.079 6.110 -2.186 505 3HD2 LEU 67 HD23 LEU 67 -7.404 7.266 -2.088 506 H LEU 68 HN LEU 68 -7.577 10.486 1.597 507 HA LEU 68 HA LEU 68 -7.169 9.773 4.189 508 1HB LEU 68 HB2 LEU 68 -7.872 12.218 2.827 509 2HB LEU 68 HB1 LEU 68 -8.540 12.182 4.443 510 HG LEU 68 HG LEU 68 -6.261 11.710 5.325 511 1HD1 LEU 68 HD11 LEU 68 -4.928 12.632 2.892 512 2HD1 LEU 68 HD12 LEU 68 -5.651 11.030 2.752 513 3HD1 LEU 68 HD13 LEU 68 -4.474 11.358 4.026 514 1HD2 LEU 68 HD21 LEU 68 -5.951 13.905 5.583 515 2HD2 LEU 68 HD22 LEU 68 -7.373 14.105 4.561 516 3HD2 LEU 68 HD23 LEU 68 -5.761 14.172 3.852 517 H ASP 69 HN ASP 69 -10.386 10.590 2.827 518 HA ASP 69 HA ASP 69 -11.832 10.308 5.201 519 1HB ASP 69 HB2 ASP 69 -12.457 10.436 2.363 520 2HB ASP 69 HB1 ASP 69 -13.541 9.348 3.212 521 H ALA 70 HN ALA 70 -11.534 7.875 2.605 522 HA ALA 70 HA ALA 70 -12.596 5.766 4.174 523 1HB ALA 70 HB1 ALA 70 -12.312 4.435 2.330 524 2HB ALA 70 HB2 ALA 70 -10.793 5.202 1.871 525 3HB ALA 70 HB3 ALA 70 -12.322 6.030 1.577 526 H LYS 71 HN LYS 71 -9.634 7.301 4.376 527 HA LYS 71 HA LYS 71 -8.037 4.996 5.042 528 1HB LYS 71 HB2 LYS 71 -7.633 7.927 4.811 529 2HB LYS 71 HB1 LYS 71 -6.520 7.035 5.840 530 1HG LYS 71 HG2 LYS 71 -6.333 5.460 3.769 531 2HG LYS 71 HG1 LYS 71 -6.917 6.874 2.898 532 1HD LYS 71 HD2 LYS 71 -4.651 7.077 4.823 533 2HD LYS 71 HD1 LYS 71 -4.373 6.554 3.165 534 1HE LYS 71 HE2 LYS 71 -5.968 8.818 2.932 535 2HE LYS 71 HE1 LYS 71 -4.838 9.213 4.225 536 1HZ LYS 71 HZ1 LYS 71 -3.228 9.486 2.747 537 2HZ LYS 71 HZ2 LYS 71 -4.361 9.292 1.508 538 3HZ LYS 71 HZ3 LYS 71 -3.488 7.957 2.070 539 H VAL 72 HN VAL 72 -9.132 7.885 6.826 540 HA VAL 72 HA VAL 72 -8.328 6.836 9.352 541 HB VAL 72 HB VAL 72 -9.692 8.715 10.306 542 1HG1 VAL 72 HG11 VAL 72 -7.457 9.023 8.384 543 2HG1 VAL 72 HG12 VAL 72 -7.523 9.363 10.113 544 3HG1 VAL 72 HG13 VAL 72 -8.241 10.491 8.965 545 1HG2 VAL 72 HG21 VAL 72 -11.379 8.854 8.536 546 2HG2 VAL 72 HG22 VAL 72 -10.145 9.399 7.402 547 3HG2 VAL 72 HG23 VAL 72 -10.576 10.404 8.781 548 H GLN 73 HN GLN 73 -11.429 7.091 7.654 549 HA GLN 73 HA GLN 73 -13.068 6.115 9.686 550 1HB GLN 73 HB2 GLN 73 -13.431 5.683 6.719 551 2HB GLN 73 HB1 GLN 73 -14.691 5.689 7.947 552 1HG GLN 73 HG2 GLN 73 -12.999 8.116 7.569 553 2HG GLN 73 HG1 GLN 73 -14.295 7.771 6.425 554 1HE2 GLN 73 HE21 GLN 73 -13.481 8.873 9.562 555 2HE2 GLN 73 HE22 GLN 73 -15.083 9.238 10.098 556 H GLU 74 HN GLU 74 -11.594 4.346 6.958 557 HA GLU 74 HA GLU 74 -12.475 1.796 7.721 558 1HB GLU 74 HB2 GLU 74 -11.633 2.201 5.493 559 2HB GLU 74 HB1 GLU 74 -10.048 2.631 6.123 560 1HG GLU 74 HG2 GLU 74 -11.158 -0.075 6.695 561 2HG GLU 74 HG1 GLU 74 -10.485 0.271 5.102 562 H ALA 75 HN ALA 75 -9.641 3.657 8.659 563 HA ALA 75 HA ALA 75 -8.402 1.486 10.078 564 1HB ALA 75 HB1 ALA 75 -7.217 3.458 9.007 565 2HB ALA 75 HB2 ALA 75 -6.695 3.006 10.630 566 3HB ALA 75 HB3 ALA 75 -7.753 4.400 10.398 567 H LEU 76 HN LEU 76 -10.527 4.160 10.885 568 HA LEU 76 HA LEU 76 -10.236 3.766 13.728 569 1HB LEU 76 HB2 LEU 76 -11.602 5.662 11.958 570 2HB LEU 76 HB1 LEU 76 -12.512 5.272 13.399 571 HG LEU 76 HG LEU 76 -9.726 6.412 13.306 572 1HD1 LEU 76 HD11 LEU 76 -10.626 8.438 13.509 573 2HD1 LEU 76 HD12 LEU 76 -11.784 7.892 14.721 574 3HD1 LEU 76 HD13 LEU 76 -12.145 7.696 13.007 575 1HD2 LEU 76 HD21 LEU 76 -10.061 4.853 15.197 576 2HD2 LEU 76 HD22 LEU 76 -11.448 5.814 15.708 577 3HD2 LEU 76 HD23 LEU 76 -9.833 6.521 15.717 578 H GLU 77 HN GLU 77 -12.432 2.820 11.183 579 HA GLU 77 HA GLU 77 -14.485 1.816 12.873 580 1HB GLU 77 HB2 GLU 77 -14.881 2.443 10.525 581 2HB GLU 77 HB1 GLU 77 -13.842 1.124 10.001 582 1HG GLU 77 HG2 GLU 77 -15.398 -0.470 11.074 583 2HG GLU 77 HG1 GLU 77 -16.461 0.881 11.461 584 H VAL 78 HN VAL 78 -11.696 0.340 11.253 585 HA VAL 78 HA VAL 78 -12.241 -2.331 11.792 586 HB VAL 78 HB VAL 78 -10.423 -1.706 10.320 587 1HG1 VAL 78 HG11 VAL 78 -8.884 -0.801 12.741 588 2HG1 VAL 78 HG12 VAL 78 -9.746 0.288 11.658 589 3HG1 VAL 78 HG13 VAL 78 -8.410 -0.681 11.047 590 1HG2 VAL 78 HG21 VAL 78 -9.039 -3.461 10.817 591 2HG2 VAL 78 HG22 VAL 78 -10.411 -3.843 11.859 592 3HG2 VAL 78 HG23 VAL 78 -8.977 -3.071 12.536 593 H LEU 79 HN LEU 79 -10.730 0.129 13.862 594 HA LEU 79 HA LEU 79 -9.940 -1.604 15.935 595 1HB LEU 79 HB2 LEU 79 -9.642 1.038 15.501 596 2HB LEU 79 HB1 LEU 79 -10.940 1.087 16.678 597 HG LEU 79 HG LEU 79 -8.753 1.356 17.739 598 1HD1 LEU 79 HD11 LEU 79 -10.066 0.475 19.348 599 2HD1 LEU 79 HD12 LEU 79 -8.966 -0.890 19.176 600 3HD1 LEU 79 HD13 LEU 79 -10.529 -0.914 18.369 601 1HD2 LEU 79 HD21 LEU 79 -8.178 -1.244 16.371 602 2HD2 LEU 79 HD22 LEU 79 -7.331 -0.791 17.848 603 3HD2 LEU 79 HD23 LEU 79 -7.216 0.231 16.417 604 H ASN 80 HN ASN 80 -12.936 0.240 15.457 605 HA ASN 80 HA ASN 80 -14.186 -0.957 17.767 606 1HB ASN 80 HB2 ASN 80 -15.377 0.775 15.593 607 2HB ASN 80 HB1 ASN 80 -16.166 0.339 17.105 608 1HD2 ASN 80 HD21 ASN 80 -14.076 0.636 18.879 609 2HD2 ASN 80 HD22 ASN 80 -13.628 2.301 18.958 610 H ARG 81 HN ARG 81 -13.482 -2.253 14.862 611 HA ARG 81 HA ARG 81 -15.998 -3.461 14.203 612 1HB ARG 81 HB2 ARG 81 -13.235 -3.567 13.195 613 2HB ARG 81 HB1 ARG 81 -14.129 -5.069 13.024 614 1HG ARG 81 HG2 ARG 81 -15.736 -2.828 12.200 615 2HG ARG 81 HG1 ARG 81 -14.195 -2.853 11.340 616 1HD ARG 81 HD2 ARG 81 -14.584 -5.161 10.679 617 2HD ARG 81 HD1 ARG 81 -16.101 -5.178 11.572 618 HE ARG 81 HE ARG 81 -15.564 -3.682 9.102 619 1HH1 ARG 81 HH11 ARG 81 -17.836 -4.877 11.479 620 2HH1 ARG 81 HH12 ARG 81 -19.222 -4.497 10.516 621 1HH2 ARG 81 HH21 ARG 81 -17.393 -3.178 7.852 622 2HH2 ARG 81 HH22 ARG 81 -18.974 -3.535 8.463 623 H HIS 82 HN HIS 82 -14.594 -3.767 16.944 624 HA HIS 82 HA HIS 82 -14.033 -6.533 17.245 625 1HB HIS 82 HB2 HIS 82 -13.832 -4.154 18.797 626 2HB HIS 82 HB1 HIS 82 -14.783 -5.315 19.725 627 HD1 HIS 82 HD1 HIS 82 -13.113 -6.074 21.421 628 HD2 HIS 82 HD2 HIS 82 -11.616 -6.232 17.546 629 HE1 HIS 82 HE1 HIS 82 -10.890 -7.233 21.605 630 HE2 HIS 82 HE2 HIS 82 -9.981 -7.279 19.255 631 H MET 83 HN MET 83 -15.605 -7.980 16.893 632 HA MET 83 HA MET 83 -18.270 -7.453 18.027 633 1HB MET 83 HB2 MET 83 -17.359 -8.637 15.515 634 2HB MET 83 HB1 MET 83 -18.546 -9.631 16.346 635 1HG MET 83 HG2 MET 83 -20.158 -8.342 15.569 636 2HG MET 83 HG1 MET 83 -19.480 -6.974 16.451 637 1HE MET 83 HE1 MET 83 -19.133 -8.002 12.040 638 2HE MET 83 HE2 MET 83 -20.680 -7.726 12.842 639 3HE MET 83 HE3 MET 83 -19.639 -9.048 13.368 640 H ASN 84 HN ASN 84 -16.026 -10.145 17.385 641 HA ASN 84 HA ASN 84 -17.036 -11.446 19.828 642 1HB ASN 84 HB2 ASN 84 -15.860 -13.503 18.557 643 2HB ASN 84 HB1 ASN 84 -17.548 -13.071 18.314 644 1HD2 ASN 84 HD21 ASN 84 -17.675 -13.853 16.249 645 2HD2 ASN 84 HD22 ASN 84 -16.855 -13.131 14.912 646 H VAL 85 HN VAL 85 -14.115 -11.660 17.789 647 HA VAL 85 HA VAL 85 -12.490 -11.240 20.205 648 HB VAL 85 HB VAL 85 -11.667 -13.185 18.057 649 1HG1 VAL 85 HG11 VAL 85 -10.332 -14.075 20.055 650 2HG1 VAL 85 HG12 VAL 85 -10.733 -12.546 20.838 651 3HG1 VAL 85 HG13 VAL 85 -9.810 -12.552 19.335 652 1HG2 VAL 85 HG21 VAL 85 -13.382 -14.473 18.740 653 2HG2 VAL 85 HG22 VAL 85 -13.611 -13.558 20.230 654 3HG2 VAL 85 HG23 VAL 85 -12.351 -14.789 20.134 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 18.732 -6.561 -32.774 2 2H GLY 1 HT2 GLY 1 17.381 -7.545 -33.036 3 3H GLY 1 HT3 GLY 1 18.143 -6.790 -34.343 4 1HA GLY 1 HA1 GLY 1 18.737 -9.117 -34.283 5 2HA GLY 1 HA2 GLY 1 20.138 -8.099 -33.986 6 H SER 2 HN SER 2 18.061 -10.526 -32.738 7 HA SER 2 HA SER 2 18.220 -11.905 -30.939 8 1HB SER 2 HB2 SER 2 20.615 -12.035 -31.532 9 2HB SER 2 HB1 SER 2 20.932 -10.625 -30.525 10 HG SER 2 HG SER 2 20.192 -13.227 -29.761 11 H SER 3 HN SER 3 20.041 -9.112 -29.697 12 HA SER 3 HA SER 3 17.823 -8.509 -27.883 13 1HB SER 3 HB2 SER 3 20.510 -8.325 -26.664 14 2HB SER 3 HB1 SER 3 18.985 -8.857 -25.959 15 HG SER 3 HG SER 3 20.132 -10.688 -26.108 16 H LEU 4 HN LEU 4 18.445 -6.423 -26.586 17 HA LEU 4 HA LEU 4 18.960 -4.401 -28.551 18 1HB LEU 4 HB2 LEU 4 18.819 -3.894 -25.597 19 2HB LEU 4 HB1 LEU 4 18.345 -2.838 -26.914 20 HG LEU 4 HG LEU 4 16.771 -5.265 -26.933 21 1HD1 LEU 4 HD11 LEU 4 15.705 -5.206 -24.878 22 2HD1 LEU 4 HD12 LEU 4 16.297 -3.586 -24.503 23 3HD1 LEU 4 HD13 LEU 4 17.397 -4.964 -24.443 24 1HD2 LEU 4 HD21 LEU 4 15.815 -3.551 -28.100 25 2HD2 LEU 4 HD22 LEU 4 16.366 -2.321 -26.961 26 3HD2 LEU 4 HD23 LEU 4 14.994 -3.350 -26.551 27 H ALA 5 HN ALA 5 21.105 -4.785 -29.204 28 HA ALA 5 HA ALA 5 23.246 -4.703 -27.272 29 1HB ALA 5 HB1 ALA 5 24.155 -4.364 -29.974 30 2HB ALA 5 HB2 ALA 5 22.952 -5.652 -29.892 31 3HB ALA 5 HB3 ALA 5 24.391 -5.723 -28.876 32 H SER 6 HN SER 6 21.659 -2.386 -27.158 33 HA SER 6 HA SER 6 23.341 -0.316 -28.373 34 1HB SER 6 HB2 SER 6 20.776 -0.363 -28.673 35 2HB SER 6 HB1 SER 6 20.706 0.169 -26.993 36 HG SER 6 HG SER 6 22.283 1.517 -28.909 37 H GLN 7 HN GLN 7 21.553 -0.862 -25.335 38 HA GLN 7 HA GLN 7 23.385 0.865 -23.900 39 1HB GLN 7 HB2 GLN 7 20.726 -0.271 -23.446 40 2HB GLN 7 HB1 GLN 7 21.741 -0.297 -22.010 41 1HG GLN 7 HG2 GLN 7 21.781 2.237 -23.472 42 2HG GLN 7 HG1 GLN 7 20.208 1.796 -22.808 43 1HE2 GLN 7 HE21 GLN 7 19.898 1.803 -20.624 44 2HE2 GLN 7 HE22 GLN 7 21.063 2.404 -19.499 45 H GLY 8 HN GLY 8 25.098 0.205 -22.767 46 1HA GLY 8 HA2 GLY 8 25.895 -2.533 -22.794 47 2HA GLY 8 HA1 GLY 8 26.717 -1.220 -21.966 48 H GLN 9 HN GLN 9 24.119 -0.584 -20.561 49 HA GLN 9 HA GLN 9 24.594 -2.303 -18.298 50 1HB GLN 9 HB2 GLN 9 22.405 -0.251 -18.500 51 2HB GLN 9 HB1 GLN 9 23.243 -0.821 -17.064 52 1HG GLN 9 HG2 GLN 9 24.868 0.540 -19.131 53 2HG GLN 9 HG1 GLN 9 23.754 1.526 -18.182 54 1HE2 GLN 9 HE21 GLN 9 24.829 2.515 -16.643 55 2HE2 GLN 9 HE22 GLN 9 26.043 1.817 -15.633 56 H ASN 10 HN ASN 10 23.888 -4.175 -19.754 57 HA ASN 10 HA ASN 10 21.157 -4.542 -20.352 58 1HB ASN 10 HB2 ASN 10 23.610 -6.121 -20.466 59 2HB ASN 10 HB1 ASN 10 22.191 -7.090 -20.079 60 1HD2 ASN 10 HD21 ASN 10 20.699 -7.494 -21.623 61 2HD2 ASN 10 HD22 ASN 10 20.843 -6.977 -23.265 62 H LEU 11 HN LEU 11 22.936 -6.607 -18.102 63 HA LEU 11 HA LEU 11 20.760 -7.492 -16.661 64 1HB LEU 11 HB2 LEU 11 22.441 -7.904 -14.803 65 2HB LEU 11 HB1 LEU 11 22.770 -8.649 -16.355 66 HG LEU 11 HG LEU 11 24.031 -6.058 -16.213 67 1HD1 LEU 11 HD11 LEU 11 24.366 -6.102 -13.953 68 2HD1 LEU 11 HD12 LEU 11 25.767 -7.029 -14.490 69 3HD1 LEU 11 HD13 LEU 11 24.342 -7.864 -13.871 70 1HD2 LEU 11 HD21 LEU 11 24.460 -8.489 -17.408 71 2HD2 LEU 11 HD22 LEU 11 25.729 -8.431 -16.188 72 3HD2 LEU 11 HD23 LEU 11 25.597 -7.142 -17.383 73 H SER 12 HN SER 12 22.421 -4.448 -16.409 74 HA SER 12 HA SER 12 21.676 -3.688 -13.822 75 1HB SER 12 HB2 SER 12 21.773 -1.684 -16.053 76 2HB SER 12 HB1 SER 12 22.353 -1.534 -14.395 77 HG SER 12 HG SER 12 23.547 -2.794 -16.598 78 H THR 13 HN THR 13 20.021 -3.153 -16.927 79 HA THR 13 HA THR 13 17.726 -1.984 -15.625 80 HB THR 13 HB THR 13 18.457 -1.232 -17.861 81 HG1 THR 13 HG1 THR 13 15.913 -2.101 -17.279 82 1HG2 THR 13 HG21 THR 13 19.205 -3.282 -18.864 83 2HG2 THR 13 HG22 THR 13 17.908 -2.585 -19.833 84 3HG2 THR 13 HG23 THR 13 17.579 -3.958 -18.775 85 H VAL 14 HN VAL 14 18.736 -5.126 -16.659 86 HA VAL 14 HA VAL 14 16.200 -6.350 -16.917 87 HB VAL 14 HB VAL 14 18.830 -7.619 -16.134 88 1HG1 VAL 14 HG11 VAL 14 16.167 -8.729 -16.908 89 2HG1 VAL 14 HG12 VAL 14 17.275 -9.247 -15.638 90 3HG1 VAL 14 HG13 VAL 14 17.637 -9.608 -17.323 91 1HG2 VAL 14 HG21 VAL 14 19.494 -7.474 -18.258 92 2HG2 VAL 14 HG22 VAL 14 18.174 -6.330 -18.505 93 3HG2 VAL 14 HG23 VAL 14 17.937 -8.041 -18.858 94 H LEU 15 HN LEU 15 18.119 -5.447 -14.181 95 HA LEU 15 HA LEU 15 16.744 -7.182 -12.335 96 1HB LEU 15 HB2 LEU 15 19.132 -5.693 -12.319 97 2HB LEU 15 HB1 LEU 15 18.128 -5.004 -11.059 98 HG LEU 15 HG LEU 15 19.434 -6.636 -9.988 99 1HD1 LEU 15 HD11 LEU 15 17.604 -8.617 -9.811 100 2HD1 LEU 15 HD12 LEU 15 16.609 -7.312 -10.452 101 3HD1 LEU 15 HD13 LEU 15 17.494 -7.085 -8.947 102 1HD2 LEU 15 HD21 LEU 15 20.320 -8.411 -10.992 103 2HD2 LEU 15 HD22 LEU 15 19.596 -7.817 -12.486 104 3HD2 LEU 15 HD23 LEU 15 18.740 -9.006 -11.505 105 H ALA 16 HN ALA 16 16.050 -4.229 -13.813 106 HA ALA 16 HA ALA 16 14.638 -2.987 -11.654 107 1HB ALA 16 HB1 ALA 16 14.992 -2.438 -14.556 108 2HB ALA 16 HB2 ALA 16 15.319 -1.407 -13.164 109 3HB ALA 16 HB3 ALA 16 13.659 -1.662 -13.702 110 H ASN 17 HN ASN 17 13.846 -5.762 -12.285 111 HA ASN 17 HA ASN 17 11.168 -5.460 -13.373 112 1HB ASN 17 HB2 ASN 17 12.522 -7.375 -14.104 113 2HB ASN 17 HB1 ASN 17 12.652 -7.926 -12.438 114 1HD2 ASN 17 HD21 ASN 17 9.715 -6.570 -13.785 115 2HD2 ASN 17 HD22 ASN 17 8.809 -8.037 -13.766 116 H LEU 18 HN LEU 18 12.153 -4.464 -10.650 117 HA LEU 18 HA LEU 18 10.056 -5.758 -9.041 118 1HB LEU 18 HB2 LEU 18 12.495 -4.396 -7.927 119 2HB LEU 18 HB1 LEU 18 11.346 -5.410 -7.075 120 HG LEU 18 HG LEU 18 13.418 -6.284 -9.084 121 1HD1 LEU 18 HD11 LEU 18 13.412 -7.722 -6.626 122 2HD1 LEU 18 HD12 LEU 18 13.432 -5.996 -6.276 123 3HD1 LEU 18 HD13 LEU 18 14.675 -6.700 -7.310 124 1HD2 LEU 18 HD21 LEU 18 12.072 -8.471 -7.824 125 2HD2 LEU 18 HD22 LEU 18 12.244 -8.113 -9.541 126 3HD2 LEU 18 HD23 LEU 18 10.887 -7.448 -8.634 127 H THR 19 HN THR 19 9.142 -3.829 -10.586 128 HA THR 19 HA THR 19 9.365 -1.224 -9.401 129 HB THR 19 HB THR 19 7.475 -2.285 -11.507 130 HG1 THR 19 HG1 THR 19 8.910 -1.156 -12.902 131 1HG2 THR 19 HG21 THR 19 6.425 -0.344 -10.749 132 2HG2 THR 19 HG22 THR 19 7.371 0.177 -12.144 133 3HG2 THR 19 HG23 THR 19 7.956 0.499 -10.512 134 HA PRO 20 HA PRO 20 4.843 -2.240 -7.982 135 1HB PRO 20 HB2 PRO 20 4.219 -4.882 -7.730 136 2HB PRO 20 HB1 PRO 20 3.871 -3.930 -9.178 137 1HG PRO 20 HG2 PRO 20 6.117 -5.827 -8.650 138 2HG PRO 20 HG1 PRO 20 5.155 -5.611 -10.123 139 1HD PRO 20 HD2 PRO 20 7.640 -4.589 -9.827 140 2HD PRO 20 HD1 PRO 20 6.396 -3.797 -10.812 141 H GLU 21 HN GLU 21 7.372 -4.571 -7.138 142 HA GLU 21 HA GLU 21 6.593 -5.010 -4.473 143 1HB GLU 21 HB2 GLU 21 8.194 -6.471 -5.551 144 2HB GLU 21 HB1 GLU 21 9.320 -5.137 -5.770 145 1HG GLU 21 HG2 GLU 21 9.666 -4.978 -3.392 146 2HG GLU 21 HG1 GLU 21 8.440 -6.208 -3.099 147 H GLN 22 HN GLN 22 8.727 -2.603 -5.935 148 HA GLN 22 HA GLN 22 9.479 -1.412 -3.449 149 1HB GLN 22 HB2 GLN 22 9.641 -0.288 -6.250 150 2HB GLN 22 HB1 GLN 22 10.464 0.357 -4.836 151 1HG GLN 22 HG2 GLN 22 10.903 -2.436 -5.824 152 2HG GLN 22 HG1 GLN 22 11.826 -1.063 -6.428 153 1HE2 GLN 22 HE21 GLN 22 12.496 -3.502 -4.784 154 2HE2 GLN 22 HE22 GLN 22 13.354 -2.874 -3.423 155 H GLN 23 HN GLN 23 7.242 -0.477 -6.057 156 HA GLN 23 HA GLN 23 6.350 1.924 -5.017 157 1HB GLN 23 HB2 GLN 23 5.781 0.721 -7.253 158 2HB GLN 23 HB1 GLN 23 4.448 0.019 -6.349 159 1HG GLN 23 HG2 GLN 23 3.247 1.872 -6.519 160 2HG GLN 23 HG1 GLN 23 4.581 2.872 -5.954 161 1HE2 GLN 23 HE21 GLN 23 3.724 0.992 -8.846 162 2HE2 GLN 23 HE22 GLN 23 4.195 2.207 -9.982 163 H LYS 24 HN LYS 24 4.821 -1.277 -4.564 164 HA LYS 24 HA LYS 24 2.841 -0.495 -2.789 165 1HB LYS 24 HB2 LYS 24 4.341 -3.109 -2.964 166 2HB LYS 24 HB1 LYS 24 2.906 -2.868 -1.977 167 1HG LYS 24 HG2 LYS 24 1.669 -2.238 -4.038 168 2HG LYS 24 HG1 LYS 24 3.101 -2.674 -4.973 169 1HD LYS 24 HD2 LYS 24 1.512 -4.512 -4.946 170 2HD LYS 24 HD1 LYS 24 2.978 -4.954 -4.067 171 1HE LYS 24 HE2 LYS 24 1.912 -5.049 -2.071 172 2HE LYS 24 HE1 LYS 24 0.813 -3.730 -2.473 173 1HZ LYS 24 HZ1 LYS 24 -0.725 -5.274 -2.797 174 2HZ LYS 24 HZ2 LYS 24 0.394 -6.534 -2.661 175 3HZ LYS 24 HZ3 LYS 24 0.132 -5.796 -4.158 176 H ASN 25 HN ASN 25 6.234 -1.153 -2.196 177 HA ASN 25 HA ASN 25 6.035 -1.226 0.643 178 1HB ASN 25 HB2 ASN 25 8.162 -1.306 -1.368 179 2HB ASN 25 HB1 ASN 25 8.631 -0.467 0.109 180 1HD2 ASN 25 HD21 ASN 25 9.358 -1.661 1.709 181 2HD2 ASN 25 HD22 ASN 25 9.126 -3.361 1.896 182 H VAL 26 HN VAL 26 7.283 1.285 -1.580 183 HA VAL 26 HA VAL 26 7.745 3.255 0.322 184 HB VAL 26 HB VAL 26 8.387 3.277 -2.141 185 1HG1 VAL 26 HG11 VAL 26 5.617 4.422 -2.419 186 2HG1 VAL 26 HG12 VAL 26 6.241 2.949 -3.160 187 3HG1 VAL 26 HG13 VAL 26 6.880 4.514 -3.645 188 1HG2 VAL 26 HG21 VAL 26 8.036 5.866 -2.218 189 2HG2 VAL 26 HG22 VAL 26 9.093 5.144 -1.006 190 3HG2 VAL 26 HG23 VAL 26 7.454 5.629 -0.571 191 H LEU 27 HN LEU 27 4.816 2.589 -1.539 192 HA LEU 27 HA LEU 27 3.214 4.688 -0.859 193 1HB LEU 27 HB2 LEU 27 2.389 1.790 -0.982 194 2HB LEU 27 HB1 LEU 27 1.301 3.162 -1.087 195 HG LEU 27 HG LEU 27 3.423 2.401 -3.083 196 1HD1 LEU 27 HD11 LEU 27 0.877 1.413 -2.771 197 2HD1 LEU 27 HD12 LEU 27 1.848 1.352 -4.241 198 3HD1 LEU 27 HD13 LEU 27 0.689 2.661 -4.004 199 1HD2 LEU 27 HD21 LEU 27 3.313 4.799 -2.952 200 2HD2 LEU 27 HD22 LEU 27 1.555 4.754 -3.044 201 3HD2 LEU 27 HD23 LEU 27 2.522 4.259 -4.432 202 H GLY 28 HN GLY 28 3.675 1.715 1.052 203 1HA GLY 28 HA2 GLY 28 1.947 2.383 3.154 204 2HA GLY 28 HA1 GLY 28 3.298 1.267 3.268 205 H GLU 29 HN GLU 29 5.448 2.956 2.831 206 HA GLU 29 HA GLU 29 5.819 4.090 5.372 207 1HB GLU 29 HB2 GLU 29 7.343 4.820 2.866 208 2HB GLU 29 HB1 GLU 29 7.902 4.957 4.528 209 1HG GLU 29 HG2 GLU 29 7.590 2.418 4.634 210 2HG GLU 29 HG1 GLU 29 7.514 2.492 2.875 211 H ARG 30 HN ARG 30 5.336 5.677 2.220 212 HA ARG 30 HA ARG 30 5.095 8.289 3.294 213 1HB ARG 30 HB2 ARG 30 3.855 7.449 0.687 214 2HB ARG 30 HB1 ARG 30 4.579 8.993 1.115 215 1HG ARG 30 HG2 ARG 30 6.586 7.005 1.362 216 2HG ARG 30 HG1 ARG 30 5.769 6.763 -0.183 217 1HD ARG 30 HD2 ARG 30 6.165 9.085 -0.777 218 2HD ARG 30 HD1 ARG 30 6.911 9.380 0.788 219 HE ARG 30 HE ARG 30 8.682 7.822 0.102 220 1HH1 ARG 30 HH11 ARG 30 6.694 9.247 -2.404 221 2HH1 ARG 30 HH12 ARG 30 7.891 9.037 -3.634 222 1HH2 ARG 30 HH21 ARG 30 10.244 7.553 -1.525 223 2HH2 ARG 30 HH22 ARG 30 9.898 8.079 -3.140 224 H LEU 31 HN LEU 31 2.956 5.631 3.180 225 HA LEU 31 HA LEU 31 0.474 6.993 3.082 226 1HB LEU 31 HB2 LEU 31 1.320 4.363 3.066 227 2HB LEU 31 HB1 LEU 31 0.502 4.498 4.602 228 HG LEU 31 HG LEU 31 -1.147 5.694 2.625 229 1HD1 LEU 31 HD11 LEU 31 -1.522 3.914 1.083 230 2HD1 LEU 31 HD12 LEU 31 -0.358 2.879 1.910 231 3HD1 LEU 31 HD13 LEU 31 0.193 4.314 1.043 232 1HD2 LEU 31 HD21 LEU 31 -1.719 3.005 3.753 233 2HD2 LEU 31 HD22 LEU 31 -2.760 4.423 3.626 234 3HD2 LEU 31 HD23 LEU 31 -1.518 4.349 4.876 235 H TYR 32 HN TYR 32 2.093 5.383 5.801 236 HA TYR 32 HA TYR 32 0.463 6.194 7.853 237 1HB TYR 32 HB2 TYR 32 2.395 4.563 7.936 238 2HB TYR 32 HB1 TYR 32 3.475 5.943 8.045 239 HD1 TYR 32 HD1 TYR 32 3.825 7.063 10.119 240 HD2 TYR 32 HD2 TYR 32 0.789 4.096 9.788 241 HE1 TYR 32 HE1 TYR 32 3.585 7.038 12.568 242 HE2 TYR 32 HE2 TYR 32 0.541 4.068 12.233 243 HH TYR 32 HH TYR 32 1.736 4.639 14.214 244 H ASN 33 HN ASN 33 2.925 8.051 6.207 245 HA ASN 33 HA ASN 33 3.136 10.138 8.121 246 1HB ASN 33 HB2 ASN 33 4.911 9.902 6.554 247 2HB ASN 33 HB1 ASN 33 3.804 9.944 5.188 248 1HD2 ASN 33 HD21 ASN 33 2.504 12.031 5.021 249 2HD2 ASN 33 HD22 ASN 33 3.385 13.495 5.307 250 H HIS 34 HN HIS 34 1.067 9.660 5.321 251 HA HIS 34 HA HIS 34 0.057 12.271 5.222 252 1HB HIS 34 HB2 HIS 34 -1.602 11.433 3.770 253 2HB HIS 34 HB1 HIS 34 -0.172 10.471 3.443 254 HD1 HIS 34 HD1 HIS 34 -0.932 8.154 2.941 255 HD2 HIS 34 HD2 HIS 34 -3.138 9.895 5.970 256 HE1 HIS 34 HE1 HIS 34 -2.553 6.381 3.713 257 HE2 HIS 34 HE2 HIS 34 -3.810 7.437 5.604 258 H ILE 35 HN ILE 35 -0.972 9.427 6.929 259 HA ILE 35 HA ILE 35 -3.142 10.875 8.226 260 HB ILE 35 HB ILE 35 -3.880 8.808 7.417 261 1HG1 ILE 35 HG12 ILE 35 -3.303 8.204 10.313 262 2HG1 ILE 35 HG11 ILE 35 -4.491 9.399 9.808 263 1HG2 ILE 35 HG21 ILE 35 -1.732 7.760 7.028 264 2HG2 ILE 35 HG22 ILE 35 -2.804 6.672 7.901 265 3HG2 ILE 35 HG23 ILE 35 -1.516 7.519 8.761 266 1HD1 ILE 35 HD11 ILE 35 -5.438 7.420 8.392 267 2HD1 ILE 35 HD12 ILE 35 -5.808 7.559 10.112 268 3HD1 ILE 35 HD13 ILE 35 -4.562 6.438 9.566 269 H VAL 36 HN VAL 36 0.052 9.694 9.041 270 HA VAL 36 HA VAL 36 -0.240 9.245 11.750 271 HB VAL 36 HB VAL 36 1.910 8.864 10.620 272 1HG1 VAL 36 HG11 VAL 36 3.408 10.609 10.046 273 2HG1 VAL 36 HG12 VAL 36 2.363 11.830 10.772 274 3HG1 VAL 36 HG13 VAL 36 1.855 10.992 9.306 275 1HG2 VAL 36 HG21 VAL 36 1.602 10.234 13.177 276 2HG2 VAL 36 HG22 VAL 36 3.227 10.358 12.499 277 3HG2 VAL 36 HG23 VAL 36 2.504 8.773 12.769 278 H ALA 37 HN ALA 37 0.443 12.356 10.154 279 HA ALA 37 HA ALA 37 0.266 13.834 12.598 280 1HB ALA 37 HB1 ALA 37 1.281 15.383 11.381 281 2HB ALA 37 HB2 ALA 37 -0.119 15.514 10.319 282 3HB ALA 37 HB3 ALA 37 1.146 14.338 9.968 283 H ILE 38 HN ILE 38 -1.992 12.738 10.234 284 HA ILE 38 HA ILE 38 -4.022 14.662 11.085 285 HB ILE 38 HB ILE 38 -3.992 12.565 8.929 286 1HG1 ILE 38 HG12 ILE 38 -4.331 14.507 7.478 287 2HG1 ILE 38 HG11 ILE 38 -4.438 15.558 8.886 288 1HG2 ILE 38 HG21 ILE 38 -6.208 12.447 9.901 289 2HG2 ILE 38 HG22 ILE 38 -6.287 13.270 8.343 290 3HG2 ILE 38 HG23 ILE 38 -6.359 14.204 9.838 291 1HD1 ILE 38 HD11 ILE 38 -2.161 15.322 9.372 292 2HD1 ILE 38 HD12 ILE 38 -2.244 15.533 7.621 293 3HD1 ILE 38 HD13 ILE 38 -1.994 13.928 8.307 294 H ASN 39 HN ASN 39 -4.056 11.093 10.743 295 HA ASN 39 HA ASN 39 -5.648 11.008 13.221 296 1HB ASN 39 HB2 ASN 39 -6.143 9.744 10.585 297 2HB ASN 39 HB1 ASN 39 -6.474 8.756 12.002 298 1HD2 ASN 39 HD21 ASN 39 -8.344 9.026 13.016 299 2HD2 ASN 39 HD22 ASN 39 -9.453 10.320 12.739 300 HA PRO 40 HA PRO 40 -1.609 8.739 13.857 301 1HB PRO 40 HB2 PRO 40 -2.487 9.377 16.626 302 2HB PRO 40 HB1 PRO 40 -0.887 9.511 15.891 303 1HG PRO 40 HG2 PRO 40 -2.401 11.670 16.343 304 2HG PRO 40 HG1 PRO 40 -1.355 11.550 14.919 305 1HD PRO 40 HD2 PRO 40 -4.311 11.315 15.126 306 2HD PRO 40 HD1 PRO 40 -3.315 11.917 13.788 307 H ALA 41 HN ALA 41 -4.616 8.482 15.770 308 HA ALA 41 HA ALA 41 -4.075 5.729 16.445 309 1HB ALA 41 HB1 ALA 41 -5.504 7.666 17.669 310 2HB ALA 41 HB2 ALA 41 -5.696 5.941 17.988 311 3HB ALA 41 HB3 ALA 41 -6.793 6.760 16.877 312 H ALA 42 HN ALA 42 -4.092 5.993 13.692 313 HA ALA 42 HA ALA 42 -6.084 4.064 12.981 314 1HB ALA 42 HB1 ALA 42 -7.499 5.933 12.651 315 2HB ALA 42 HB2 ALA 42 -6.948 5.440 11.051 316 3HB ALA 42 HB3 ALA 42 -6.227 6.842 11.839 317 H ALA 43 HN ALA 43 -3.572 6.309 11.967 318 HA ALA 43 HA ALA 43 -2.802 5.472 9.520 319 1HB ALA 43 HB1 ALA 43 -1.693 7.218 10.900 320 2HB ALA 43 HB2 ALA 43 -0.576 6.166 10.032 321 3HB ALA 43 HB3 ALA 43 -0.847 5.933 11.761 322 H ALA 44 HN ALA 44 -1.772 3.904 12.564 323 HA ALA 44 HA ALA 44 -0.244 1.875 11.479 324 1HB ALA 44 HB1 ALA 44 -1.327 2.503 14.028 325 2HB ALA 44 HB2 ALA 44 0.023 1.438 13.638 326 3HB ALA 44 HB3 ALA 44 -1.617 0.793 13.711 327 H LYS 45 HN LYS 45 -3.715 2.126 11.747 328 HA LYS 45 HA LYS 45 -4.131 -0.614 10.901 329 1HB LYS 45 HB2 LYS 45 -6.248 1.515 11.107 330 2HB LYS 45 HB1 LYS 45 -6.438 -0.229 11.236 331 1HG LYS 45 HG2 LYS 45 -4.990 -0.052 13.333 332 2HG LYS 45 HG1 LYS 45 -5.295 1.684 13.240 333 1HD LYS 45 HD2 LYS 45 -7.780 1.019 13.096 334 2HD LYS 45 HD1 LYS 45 -7.242 -0.552 13.693 335 1HE LYS 45 HE2 LYS 45 -6.967 0.220 15.773 336 2HE LYS 45 HE1 LYS 45 -6.142 1.674 15.212 337 1HZ LYS 45 HZ1 LYS 45 -8.962 1.252 15.807 338 2HZ LYS 45 HZ2 LYS 45 -8.611 2.259 14.495 339 3HZ LYS 45 HZ3 LYS 45 -8.001 2.626 16.029 340 H VAL 46 HN VAL 46 -4.535 2.649 9.617 341 HA VAL 46 HA VAL 46 -5.630 1.877 7.131 342 HB VAL 46 HB VAL 46 -4.076 4.382 7.788 343 1HG1 VAL 46 HG11 VAL 46 -4.512 3.709 5.331 344 2HG1 VAL 46 HG12 VAL 46 -4.929 5.342 5.849 345 3HG1 VAL 46 HG13 VAL 46 -6.187 4.120 5.691 346 1HG2 VAL 46 HG21 VAL 46 -6.097 3.854 9.230 347 2HG2 VAL 46 HG22 VAL 46 -7.066 4.060 7.770 348 3HG2 VAL 46 HG23 VAL 46 -6.113 5.407 8.391 349 H THR 47 HN THR 47 -2.315 2.545 8.177 350 HA THR 47 HA THR 47 -1.121 2.329 5.628 351 HB THR 47 HB THR 47 0.119 1.832 8.340 352 HG1 THR 47 HG1 THR 47 0.225 4.235 6.868 353 1HG2 THR 47 HG21 THR 47 1.257 2.033 5.634 354 2HG2 THR 47 HG22 THR 47 1.869 1.217 7.073 355 3HG2 THR 47 HG23 THR 47 2.072 2.959 6.893 356 H GLY 48 HN GLY 48 -1.269 -0.016 8.303 357 1HA GLY 48 HA2 GLY 48 -0.008 -2.105 6.872 358 2HA GLY 48 HA1 GLY 48 -0.947 -2.286 8.346 359 H MET 49 HN MET 49 -3.412 -1.641 7.746 360 HA MET 49 HA MET 49 -4.302 -3.841 6.189 361 1HB MET 49 HB2 MET 49 -5.920 -1.496 7.189 362 2HB MET 49 HB1 MET 49 -6.542 -3.061 6.683 363 1HG MET 49 HG2 MET 49 -4.828 -2.483 9.087 364 2HG MET 49 HG1 MET 49 -6.527 -2.952 9.077 365 1HE MET 49 HE1 MET 49 -4.092 -4.540 10.777 366 2HE MET 49 HE2 MET 49 -3.050 -3.942 9.486 367 3HE MET 49 HE3 MET 49 -3.195 -5.677 9.771 368 H LEU 50 HN LEU 50 -4.457 -0.316 5.702 369 HA LEU 50 HA LEU 50 -5.377 0.809 3.849 370 1HB LEU 50 HB2 LEU 50 -2.953 1.023 3.835 371 2HB LEU 50 HB1 LEU 50 -2.813 -0.436 2.881 372 HG LEU 50 HG LEU 50 -4.257 0.825 1.138 373 1HD1 LEU 50 HD11 LEU 50 -3.073 3.348 1.949 374 2HD1 LEU 50 HD12 LEU 50 -4.272 2.770 3.100 375 3HD1 LEU 50 HD13 LEU 50 -4.707 2.994 1.408 376 1HD2 LEU 50 HD21 LEU 50 -2.055 2.127 0.479 377 2HD2 LEU 50 HD22 LEU 50 -2.157 0.368 0.384 378 3HD2 LEU 50 HD23 LEU 50 -1.372 1.135 1.767 379 H LEU 51 HN LEU 51 -3.944 -2.124 2.359 380 HA LEU 51 HA LEU 51 -5.821 -2.097 0.229 381 1HB LEU 51 HB2 LEU 51 -3.706 -4.003 1.155 382 2HB LEU 51 HB1 LEU 51 -4.832 -4.478 -0.103 383 HG LEU 51 HG LEU 51 -4.017 -2.150 -1.142 384 1HD1 LEU 51 HD11 LEU 51 -2.434 -2.118 0.990 385 2HD1 LEU 51 HD12 LEU 51 -1.941 -1.456 -0.569 386 3HD1 LEU 51 HD13 LEU 51 -1.413 -3.069 -0.090 387 1HD2 LEU 51 HD21 LEU 51 -3.257 -4.944 -1.444 388 2HD2 LEU 51 HD22 LEU 51 -2.030 -3.817 -2.023 389 3HD2 LEU 51 HD23 LEU 51 -3.671 -3.740 -2.664 390 H GLU 52 HN GLU 52 -7.761 -2.002 1.641 391 HA GLU 52 HA GLU 52 -8.517 -4.588 2.780 392 1HB GLU 52 HB2 GLU 52 -10.300 -2.194 2.903 393 2HB GLU 52 HB1 GLU 52 -10.084 -3.485 4.075 394 1HG GLU 52 HG2 GLU 52 -7.654 -2.391 4.213 395 2HG GLU 52 HG1 GLU 52 -8.575 -0.970 3.720 396 H MET 53 HN MET 53 -11.166 -4.737 2.503 397 HA MET 53 HA MET 53 -11.481 -5.552 -0.194 398 1HB MET 53 HB2 MET 53 -13.613 -5.168 1.911 399 2HB MET 53 HB1 MET 53 -13.776 -6.107 0.434 400 1HG MET 53 HG2 MET 53 -11.788 -6.711 2.607 401 2HG MET 53 HG1 MET 53 -13.382 -7.453 2.482 402 1HE MET 53 HE1 MET 53 -14.144 -8.171 0.004 403 2HE MET 53 HE2 MET 53 -13.794 -9.696 0.818 404 3HE MET 53 HE3 MET 53 -13.204 -9.414 -0.820 405 H ASP 54 HN ASP 54 -13.332 -3.060 1.602 406 HA ASP 54 HA ASP 54 -14.100 -1.865 -0.937 407 1HB ASP 54 HB2 ASP 54 -15.493 -0.365 0.474 408 2HB ASP 54 HB1 ASP 54 -15.883 -2.066 0.643 409 H ASN 55 HN ASN 55 -12.931 -0.508 2.135 410 HA ASN 55 HA ASN 55 -12.048 1.906 1.230 411 1HB ASN 55 HB2 ASN 55 -12.141 1.161 3.598 412 2HB ASN 55 HB1 ASN 55 -10.691 0.206 3.329 413 1HD2 ASN 55 HD21 ASN 55 -11.217 3.355 1.907 414 2HD2 ASN 55 HD22 ASN 55 -10.037 4.186 2.845 415 H GLY 56 HN GLY 56 -10.632 -1.210 0.723 416 1HA GLY 56 HA2 GLY 56 -8.009 -0.362 0.115 417 2HA GLY 56 HA1 GLY 56 -8.726 -1.892 -0.347 418 H GLU 57 HN GLU 57 -10.496 -1.571 -2.156 419 HA GLU 57 HA GLU 57 -9.388 -1.136 -4.539 420 1HB GLU 57 HB2 GLU 57 -12.173 -0.279 -3.767 421 2HB GLU 57 HB1 GLU 57 -11.602 -0.445 -5.423 422 1HG GLU 57 HG2 GLU 57 -11.341 -2.744 -3.557 423 2HG GLU 57 HG1 GLU 57 -12.916 -2.379 -4.267 424 H ILE 58 HN ILE 58 -10.983 1.509 -2.764 425 HA ILE 58 HA ILE 58 -10.460 3.550 -4.585 426 HB ILE 58 HB ILE 58 -10.747 3.656 -1.581 427 1HG1 ILE 58 HG12 ILE 58 -12.969 4.758 -2.401 428 2HG1 ILE 58 HG11 ILE 58 -12.600 3.947 -3.920 429 1HG2 ILE 58 HG21 ILE 58 -10.866 6.004 -3.472 430 2HG2 ILE 58 HG22 ILE 58 -9.473 5.618 -2.459 431 3HG2 ILE 58 HG23 ILE 58 -11.016 6.034 -1.716 432 1HD1 ILE 58 HD11 ILE 58 -12.962 1.872 -3.055 433 2HD1 ILE 58 HD12 ILE 58 -14.095 2.816 -2.087 434 3HD1 ILE 58 HD13 ILE 58 -12.529 2.355 -1.416 435 H LEU 59 HN LEU 59 -8.507 2.351 -1.890 436 HA LEU 59 HA LEU 59 -6.490 4.101 -1.641 437 1HB LEU 59 HB2 LEU 59 -5.215 2.418 -0.775 438 2HB LEU 59 HB1 LEU 59 -6.810 1.706 -0.691 439 HG LEU 59 HG LEU 59 -6.139 0.722 -3.054 440 1HD1 LEU 59 HD11 LEU 59 -3.924 0.522 -3.524 441 2HD1 LEU 59 HD12 LEU 59 -3.443 0.572 -1.828 442 3HD1 LEU 59 HD13 LEU 59 -3.868 2.063 -2.665 443 1HD2 LEU 59 HD21 LEU 59 -6.594 -0.365 -0.749 444 2HD2 LEU 59 HD22 LEU 59 -4.847 -0.545 -0.681 445 3HD2 LEU 59 HD23 LEU 59 -5.761 -1.288 -1.996 446 H ASN 60 HN ASN 60 -6.990 1.989 -4.388 447 HA ASN 60 HA ASN 60 -4.570 2.107 -5.684 448 1HB ASN 60 HB2 ASN 60 -7.146 1.310 -6.365 449 2HB ASN 60 HB1 ASN 60 -6.749 2.536 -7.566 450 1HD2 ASN 60 HD21 ASN 60 -6.508 1.184 -9.281 451 2HD2 ASN 60 HD22 ASN 60 -5.252 0.003 -9.403 452 H LEU 61 HN LEU 61 -6.711 4.733 -5.058 453 HA LEU 61 HA LEU 61 -5.163 6.443 -6.885 454 1HB LEU 61 HB2 LEU 61 -7.850 7.190 -5.796 455 2HB LEU 61 HB1 LEU 61 -7.046 7.782 -7.237 456 HG LEU 61 HG LEU 61 -7.532 4.951 -7.469 457 1HD1 LEU 61 HD11 LEU 61 -9.879 6.681 -6.737 458 2HD1 LEU 61 HD12 LEU 61 -9.378 5.158 -6.006 459 3HD1 LEU 61 HD13 LEU 61 -10.035 5.175 -7.642 460 1HD2 LEU 61 HD21 LEU 61 -7.094 6.574 -9.293 461 2HD2 LEU 61 HD22 LEU 61 -8.682 7.278 -8.999 462 3HD2 LEU 61 HD23 LEU 61 -8.546 5.605 -9.544 463 H LEU 62 HN LEU 62 -3.974 5.950 -4.506 464 HA LEU 62 HA LEU 62 -4.358 7.121 -2.195 465 1HB LEU 62 HB2 LEU 62 -1.907 7.341 -3.901 466 2HB LEU 62 HB1 LEU 62 -1.932 7.968 -2.265 467 HG LEU 62 HG LEU 62 -2.802 5.167 -2.644 468 1HD1 LEU 62 HD11 LEU 62 -0.941 5.133 -4.109 469 2HD1 LEU 62 HD12 LEU 62 -0.409 4.428 -2.581 470 3HD1 LEU 62 HD13 LEU 62 0.037 6.085 -2.994 471 1HD2 LEU 62 HD21 LEU 62 -2.809 5.945 -0.421 472 2HD2 LEU 62 HD22 LEU 62 -1.235 6.719 -0.604 473 3HD2 LEU 62 HD23 LEU 62 -1.353 4.960 -0.565 474 H ASP 63 HN ASP 63 -5.793 8.809 -2.090 475 HA ASP 63 HA ASP 63 -4.890 11.401 -3.165 476 1HB ASP 63 HB2 ASP 63 -7.344 10.092 -3.483 477 2HB ASP 63 HB1 ASP 63 -7.662 11.386 -2.334 478 H THR 64 HN THR 64 -5.512 13.331 -1.873 479 HA THR 64 HA THR 64 -4.699 12.951 0.843 480 HB THR 64 HB THR 64 -5.897 15.547 0.103 481 HG1 THR 64 HG1 THR 64 -4.900 15.674 -1.721 482 1HG2 THR 64 HG21 THR 64 -4.447 15.026 2.136 483 2HG2 THR 64 HG22 THR 64 -4.079 16.480 1.206 484 3HG2 THR 64 HG23 THR 64 -3.095 15.030 1.004 485 HA PRO 65 HA PRO 65 -9.208 14.156 1.858 486 1HB PRO 65 HB2 PRO 65 -11.033 14.249 -0.148 487 2HB PRO 65 HB1 PRO 65 -10.078 15.641 0.362 488 1HG PRO 65 HG2 PRO 65 -9.773 13.909 -2.027 489 2HG PRO 65 HG1 PRO 65 -9.397 15.624 -1.823 490 1HD PRO 65 HD2 PRO 65 -7.551 13.539 -1.802 491 2HD PRO 65 HD1 PRO 65 -7.268 15.179 -1.197 492 H GLY 66 HN GLY 66 -9.945 12.287 -1.092 493 1HA GLY 66 HA2 GLY 66 -11.718 10.504 -0.064 494 2HA GLY 66 HA1 GLY 66 -10.621 10.108 -1.375 495 H LEU 67 HN LEU 67 -8.225 9.803 -0.358 496 HA LEU 67 HA LEU 67 -8.257 7.340 0.935 497 1HB LEU 67 HB2 LEU 67 -6.362 9.228 -0.024 498 2HB LEU 67 HB1 LEU 67 -5.845 8.709 1.561 499 HG LEU 67 HG LEU 67 -5.033 7.473 -0.590 500 1HD1 LEU 67 HD11 LEU 67 -5.462 5.258 0.941 501 2HD1 LEU 67 HD12 LEU 67 -5.615 6.569 2.109 502 3HD1 LEU 67 HD13 LEU 67 -4.146 6.413 1.148 503 1HD2 LEU 67 HD21 LEU 67 -6.391 5.992 -1.617 504 2HD2 LEU 67 HD22 LEU 67 -7.647 7.091 -1.054 505 3HD2 LEU 67 HD23 LEU 67 -7.291 5.625 -0.148 506 H LEU 68 HN LEU 68 -6.970 10.323 2.419 507 HA LEU 68 HA LEU 68 -6.926 9.438 5.024 508 1HB LEU 68 HB2 LEU 68 -7.173 12.133 3.807 509 2HB LEU 68 HB1 LEU 68 -7.424 11.984 5.531 510 HG LEU 68 HG LEU 68 -5.178 10.894 5.695 511 1HD1 LEU 68 HD11 LEU 68 -4.577 10.072 3.655 512 2HD1 LEU 68 HD12 LEU 68 -3.724 11.615 3.620 513 3HD1 LEU 68 HD13 LEU 68 -5.265 11.438 2.777 514 1HD2 LEU 68 HD21 LEU 68 -5.861 13.625 5.385 515 2HD2 LEU 68 HD22 LEU 68 -4.294 13.374 4.611 516 3HD2 LEU 68 HD23 LEU 68 -4.527 12.924 6.301 517 H ASP 69 HN ASP 69 -9.733 10.377 3.178 518 HA ASP 69 HA ASP 69 -11.387 10.729 5.517 519 1HB ASP 69 HB2 ASP 69 -11.783 10.920 2.588 520 2HB ASP 69 HB1 ASP 69 -13.191 10.432 3.522 521 H ALA 70 HN ALA 70 -11.455 8.397 2.822 522 HA ALA 70 HA ALA 70 -13.128 6.578 4.242 523 1HB ALA 70 HB1 ALA 70 -12.210 6.881 1.592 524 2HB ALA 70 HB2 ALA 70 -13.433 5.765 2.203 525 3HB ALA 70 HB3 ALA 70 -11.744 5.265 2.120 526 H LYS 71 HN LYS 71 -9.909 7.292 4.655 527 HA LYS 71 HA LYS 71 -9.056 4.577 5.266 528 1HB LYS 71 HB2 LYS 71 -7.705 7.249 5.180 529 2HB LYS 71 HB1 LYS 71 -6.940 5.900 5.994 530 1HG LYS 71 HG2 LYS 71 -7.495 6.276 3.076 531 2HG LYS 71 HG1 LYS 71 -5.982 5.889 3.882 532 1HD LYS 71 HD2 LYS 71 -6.395 3.666 3.865 533 2HD LYS 71 HD1 LYS 71 -8.121 3.873 4.149 534 1HE LYS 71 HE2 LYS 71 -8.605 3.966 1.938 535 2HE LYS 71 HE1 LYS 71 -7.121 4.805 1.543 536 1HZ LYS 71 HZ1 LYS 71 -7.717 2.081 1.285 537 2HZ LYS 71 HZ2 LYS 71 -6.434 2.245 2.379 538 3HZ LYS 71 HZ3 LYS 71 -6.315 2.905 0.827 539 H VAL 72 HN VAL 72 -9.188 7.701 6.974 540 HA VAL 72 HA VAL 72 -8.643 6.652 9.526 541 HB VAL 72 HB VAL 72 -9.425 8.756 10.431 542 1HG1 VAL 72 HG11 VAL 72 -7.234 8.726 9.378 543 2HG1 VAL 72 HG12 VAL 72 -8.006 10.297 9.166 544 3HG1 VAL 72 HG13 VAL 72 -7.953 9.150 7.828 545 1HG2 VAL 72 HG21 VAL 72 -11.455 9.134 9.252 546 2HG2 VAL 72 HG22 VAL 72 -10.620 9.180 7.700 547 3HG2 VAL 72 HG23 VAL 72 -10.382 10.481 8.867 548 H GLN 73 HN GLN 73 -11.712 7.390 7.919 549 HA GLN 73 HA GLN 73 -13.377 6.731 10.078 550 1HB GLN 73 HB2 GLN 73 -14.033 6.439 7.147 551 2HB GLN 73 HB1 GLN 73 -15.171 6.671 8.470 552 1HG GLN 73 HG2 GLN 73 -13.119 8.665 7.533 553 2HG GLN 73 HG1 GLN 73 -14.852 8.721 7.198 554 1HE2 GLN 73 HE21 GLN 73 -15.692 10.324 8.325 555 2HE2 GLN 73 HE22 GLN 73 -15.382 10.667 9.990 556 H GLU 74 HN GLU 74 -12.345 4.775 7.281 557 HA GLU 74 HA GLU 74 -13.661 2.421 8.071 558 1HB GLU 74 HB2 GLU 74 -12.831 2.789 5.804 559 2HB GLU 74 HB1 GLU 74 -11.174 2.689 6.392 560 1HG GLU 74 HG2 GLU 74 -12.050 0.613 5.325 561 2HG GLU 74 HG1 GLU 74 -11.422 0.399 6.954 562 H ALA 75 HN ALA 75 -10.344 3.544 8.636 563 HA ALA 75 HA ALA 75 -9.437 1.230 9.957 564 1HB ALA 75 HB1 ALA 75 -7.645 2.502 9.412 565 2HB ALA 75 HB2 ALA 75 -7.870 3.100 11.057 566 3HB ALA 75 HB3 ALA 75 -8.499 4.019 9.690 567 H LEU 76 HN LEU 76 -10.938 4.198 11.156 568 HA LEU 76 HA LEU 76 -10.778 3.358 13.900 569 1HB LEU 76 HB2 LEU 76 -11.766 5.726 12.434 570 2HB LEU 76 HB1 LEU 76 -12.552 5.389 13.956 571 HG LEU 76 HG LEU 76 -9.632 5.967 13.502 572 1HD1 LEU 76 HD11 LEU 76 -11.882 7.580 14.130 573 2HD1 LEU 76 HD12 LEU 76 -10.189 8.052 13.998 574 3HD1 LEU 76 HD13 LEU 76 -10.835 7.518 15.549 575 1HD2 LEU 76 HD21 LEU 76 -9.348 4.472 15.182 576 2HD2 LEU 76 HD22 LEU 76 -11.009 4.631 15.756 577 3HD2 LEU 76 HD23 LEU 76 -9.812 5.861 16.163 578 H GLU 77 HN GLU 77 -13.021 2.971 11.300 579 HA GLU 77 HA GLU 77 -15.313 2.449 12.938 580 1HB GLU 77 HB2 GLU 77 -15.323 3.196 10.495 581 2HB GLU 77 HB1 GLU 77 -14.934 1.530 10.091 582 1HG GLU 77 HG2 GLU 77 -17.164 1.352 9.929 583 2HG GLU 77 HG1 GLU 77 -17.056 1.127 11.676 584 H VAL 78 HN VAL 78 -12.987 0.436 11.162 585 HA VAL 78 HA VAL 78 -14.156 -1.990 12.235 586 HB VAL 78 HB VAL 78 -13.249 -1.879 9.906 587 1HG1 VAL 78 HG11 VAL 78 -10.501 -2.135 11.056 588 2HG1 VAL 78 HG12 VAL 78 -11.185 -0.540 10.739 589 3HG1 VAL 78 HG13 VAL 78 -10.995 -1.698 9.421 590 1HG2 VAL 78 HG21 VAL 78 -12.547 -4.093 9.898 591 2HG2 VAL 78 HG22 VAL 78 -13.486 -3.977 11.387 592 3HG2 VAL 78 HG23 VAL 78 -11.724 -3.942 11.452 593 H LEU 79 HN LEU 79 -11.227 -0.053 12.648 594 HA LEU 79 HA LEU 79 -9.588 -0.069 14.224 595 1HB LEU 79 HB2 LEU 79 -11.449 -1.550 16.048 596 2HB LEU 79 HB1 LEU 79 -10.248 -0.342 16.455 597 HG LEU 79 HG LEU 79 -12.300 0.754 14.721 598 1HD1 LEU 79 HD11 LEU 79 -13.576 0.447 17.284 599 2HD1 LEU 79 HD12 LEU 79 -13.285 -1.125 16.537 600 3HD1 LEU 79 HD13 LEU 79 -14.199 0.109 15.668 601 1HD2 LEU 79 HD21 LEU 79 -10.743 2.110 15.988 602 2HD2 LEU 79 HD22 LEU 79 -11.344 1.431 17.499 603 3HD2 LEU 79 HD23 LEU 79 -12.395 2.441 16.507 604 H ASN 80 HN ASN 80 -8.902 -1.847 16.239 605 HA ASN 80 HA ASN 80 -7.595 -3.878 14.757 606 1HB ASN 80 HB2 ASN 80 -7.640 -2.926 17.535 607 2HB ASN 80 HB1 ASN 80 -7.331 -4.653 17.377 608 1HD2 ASN 80 HD21 ASN 80 -5.734 -2.057 17.958 609 2HD2 ASN 80 HD22 ASN 80 -4.299 -2.280 17.022 610 H ARG 81 HN ARG 81 -10.773 -3.781 15.494 611 HA ARG 81 HA ARG 81 -11.220 -6.383 16.553 612 1HB ARG 81 HB2 ARG 81 -13.027 -4.487 15.050 613 2HB ARG 81 HB1 ARG 81 -13.570 -5.990 15.783 614 1HG ARG 81 HG2 ARG 81 -12.977 -5.175 17.978 615 2HG ARG 81 HG1 ARG 81 -12.312 -3.697 17.278 616 1HD ARG 81 HD2 ARG 81 -14.445 -3.080 18.017 617 2HD ARG 81 HD1 ARG 81 -14.641 -3.338 16.284 618 HE ARG 81 HE ARG 81 -16.002 -5.132 16.729 619 1HH1 ARG 81 HH11 ARG 81 -14.394 -4.152 19.669 620 2HH1 ARG 81 HH12 ARG 81 -15.359 -5.169 20.683 621 1HH2 ARG 81 HH21 ARG 81 -17.269 -6.474 18.062 622 2HH2 ARG 81 HH22 ARG 81 -16.993 -6.488 19.772 623 H HIS 82 HN HIS 82 -9.476 -6.158 14.132 624 HA HIS 82 HA HIS 82 -10.895 -7.323 11.949 625 1HB HIS 82 HB2 HIS 82 -8.315 -6.180 12.427 626 2HB HIS 82 HB1 HIS 82 -8.091 -7.783 11.724 627 HD1 HIS 82 HD1 HIS 82 -9.275 -8.178 9.358 628 HD2 HIS 82 HD2 HIS 82 -9.086 -4.238 10.663 629 HE1 HIS 82 HE1 HIS 82 -9.739 -6.774 7.324 630 HE2 HIS 82 HE2 HIS 82 -9.532 -4.393 8.119 631 H MET 83 HN MET 83 -11.880 -9.154 12.913 632 HA MET 83 HA MET 83 -10.019 -11.350 13.542 633 1HB MET 83 HB2 MET 83 -12.059 -10.343 15.107 634 2HB MET 83 HB1 MET 83 -12.802 -11.746 14.354 635 1HG MET 83 HG2 MET 83 -10.343 -12.688 15.151 636 2HG MET 83 HG1 MET 83 -10.799 -11.589 16.450 637 1HE MET 83 HE1 MET 83 -13.012 -11.671 17.705 638 2HE MET 83 HE2 MET 83 -11.891 -12.739 18.552 639 3HE MET 83 HE3 MET 83 -13.565 -13.235 18.301 640 H ASN 84 HN ASN 84 -11.811 -13.457 13.398 641 HA ASN 84 HA ASN 84 -12.088 -13.711 10.515 642 1HB ASN 84 HB2 ASN 84 -11.828 -15.555 12.804 643 2HB ASN 84 HB1 ASN 84 -12.881 -16.120 11.508 644 1HD2 ASN 84 HD21 ASN 84 -9.684 -14.694 12.050 645 2HD2 ASN 84 HD22 ASN 84 -8.887 -15.578 10.797 646 H VAL 85 HN VAL 85 -14.091 -13.727 13.414 647 HA VAL 85 HA VAL 85 -16.466 -13.572 11.678 648 HB VAL 85 HB VAL 85 -17.687 -14.630 13.709 649 1HG1 VAL 85 HG11 VAL 85 -16.206 -16.828 12.550 650 2HG1 VAL 85 HG12 VAL 85 -16.669 -15.642 11.331 651 3HG1 VAL 85 HG13 VAL 85 -17.900 -16.382 12.355 652 1HG2 VAL 85 HG21 VAL 85 -14.827 -15.377 14.248 653 2HG2 VAL 85 HG22 VAL 85 -16.173 -16.373 14.802 654 3HG2 VAL 85 HG23 VAL 85 -16.021 -14.706 15.359 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 5.168 -12.686 -16.416 2 2H GLY 1 HT2 GLY 1 4.657 -12.474 -18.014 3 3H GLY 1 HT3 GLY 1 4.511 -11.207 -16.906 4 1HA GLY 1 HA1 GLY 1 6.542 -10.474 -17.326 5 2HA GLY 1 HA2 GLY 1 7.198 -12.070 -16.991 6 H SER 2 HN SER 2 4.892 -11.231 -19.533 7 HA SER 2 HA SER 2 6.551 -12.506 -21.505 8 1HB SER 2 HB2 SER 2 3.931 -11.011 -21.757 9 2HB SER 2 HB1 SER 2 4.718 -11.878 -23.076 10 HG SER 2 HG SER 2 4.236 -13.759 -22.155 11 H SER 3 HN SER 3 8.277 -11.494 -22.290 12 HA SER 3 HA SER 3 8.007 -8.651 -23.017 13 1HB SER 3 HB2 SER 3 10.378 -8.334 -22.458 14 2HB SER 3 HB1 SER 3 9.473 -8.900 -21.054 15 HG SER 3 HG SER 3 11.620 -9.978 -22.079 16 H LEU 4 HN LEU 4 8.105 -8.383 -25.138 17 HA LEU 4 HA LEU 4 8.877 -10.400 -26.947 18 1HB LEU 4 HB2 LEU 4 8.065 -7.563 -27.118 19 2HB LEU 4 HB1 LEU 4 9.001 -8.170 -28.469 20 HG LEU 4 HG LEU 4 6.403 -9.339 -27.470 21 1HD1 LEU 4 HD11 LEU 4 6.812 -8.055 -30.135 22 2HD1 LEU 4 HD12 LEU 4 6.470 -7.061 -28.718 23 3HD1 LEU 4 HD13 LEU 4 5.323 -8.303 -29.224 24 1HD2 LEU 4 HD21 LEU 4 6.939 -10.277 -30.025 25 2HD2 LEU 4 HD22 LEU 4 7.065 -11.187 -28.521 26 3HD2 LEU 4 HD23 LEU 4 8.488 -10.386 -29.187 27 H ALA 5 HN ALA 5 10.478 -9.584 -28.835 28 HA ALA 5 HA ALA 5 13.074 -9.741 -27.691 29 1HB ALA 5 HB1 ALA 5 11.909 -10.032 -30.275 30 2HB ALA 5 HB2 ALA 5 13.496 -10.552 -29.711 31 3HB ALA 5 HB3 ALA 5 13.289 -8.940 -30.393 32 H SER 6 HN SER 6 13.440 -7.953 -26.393 33 HA SER 6 HA SER 6 13.187 -5.286 -27.496 34 1HB SER 6 HB2 SER 6 12.595 -5.346 -25.228 35 2HB SER 6 HB1 SER 6 13.952 -6.391 -24.805 36 HG SER 6 HG SER 6 14.878 -4.585 -24.262 37 H GLN 7 HN GLN 7 14.851 -3.915 -28.030 38 HA GLN 7 HA GLN 7 17.269 -5.104 -28.926 39 1HB GLN 7 HB2 GLN 7 16.173 -3.130 -29.990 40 2HB GLN 7 HB1 GLN 7 16.652 -2.164 -28.601 41 1HG GLN 7 HG2 GLN 7 19.003 -2.617 -29.101 42 2HG GLN 7 HG1 GLN 7 18.514 -3.568 -30.504 43 1HE2 GLN 7 HE21 GLN 7 19.910 -0.838 -29.854 44 2HE2 GLN 7 HE22 GLN 7 19.241 0.209 -31.054 45 H GLY 8 HN GLY 8 16.503 -2.889 -26.256 46 1HA GLY 8 HA2 GLY 8 19.213 -3.339 -25.192 47 2HA GLY 8 HA1 GLY 8 18.172 -1.988 -24.772 48 H GLN 9 HN GLN 9 19.508 -4.587 -23.474 49 HA GLN 9 HA GLN 9 17.173 -5.568 -22.031 50 1HB GLN 9 HB2 GLN 9 18.743 -7.197 -21.044 51 2HB GLN 9 HB1 GLN 9 18.756 -7.232 -22.801 52 1HG GLN 9 HG2 GLN 9 20.732 -5.389 -21.967 53 2HG GLN 9 HG1 GLN 9 20.923 -6.855 -21.008 54 1HE2 GLN 9 HE21 GLN 9 22.913 -7.217 -22.075 55 2HE2 GLN 9 HE22 GLN 9 22.958 -7.874 -23.673 56 H ASN 10 HN ASN 10 17.859 -2.861 -21.566 57 HA ASN 10 HA ASN 10 19.398 -2.530 -19.222 58 1HB ASN 10 HB2 ASN 10 18.701 -0.756 -20.945 59 2HB ASN 10 HB1 ASN 10 17.170 -0.689 -20.076 60 1HD2 ASN 10 HD21 ASN 10 18.378 1.593 -20.140 61 2HD2 ASN 10 HD22 ASN 10 19.185 1.972 -18.661 62 H LEU 11 HN LEU 11 16.315 -3.847 -19.708 63 HA LEU 11 HA LEU 11 15.167 -3.060 -17.196 64 1HB LEU 11 HB2 LEU 11 14.323 -5.287 -19.047 65 2HB LEU 11 HB1 LEU 11 13.359 -4.567 -17.770 66 HG LEU 11 HG LEU 11 14.311 -3.082 -20.220 67 1HD1 LEU 11 HD11 LEU 11 12.603 -3.909 -21.364 68 2HD1 LEU 11 HD12 LEU 11 11.475 -3.458 -20.086 69 3HD1 LEU 11 HD13 LEU 11 12.288 -5.022 -20.033 70 1HD2 LEU 11 HD21 LEU 11 13.221 -2.216 -17.735 71 2HD2 LEU 11 HD22 LEU 11 12.029 -1.930 -19.003 72 3HD2 LEU 11 HD23 LEU 11 13.650 -1.255 -19.150 73 H SER 12 HN SER 12 17.074 -5.726 -18.390 74 HA SER 12 HA SER 12 16.613 -7.341 -16.027 75 1HB SER 12 HB2 SER 12 17.813 -7.735 -18.669 76 2HB SER 12 HB1 SER 12 18.722 -8.511 -17.373 77 HG SER 12 HG SER 12 16.273 -9.144 -18.419 78 H THR 13 HN THR 13 18.868 -4.972 -17.118 79 HA THR 13 HA THR 13 21.034 -5.744 -15.421 80 HB THR 13 HB THR 13 20.440 -3.149 -16.855 81 HG1 THR 13 HG1 THR 13 21.043 -5.334 -17.919 82 1HG2 THR 13 HG21 THR 13 21.963 -2.527 -15.181 83 2HG2 THR 13 HG22 THR 13 22.928 -2.790 -16.633 84 3HG2 THR 13 HG23 THR 13 22.894 -4.013 -15.362 85 H VAL 14 HN VAL 14 19.353 -2.623 -15.328 86 HA VAL 14 HA VAL 14 19.871 -2.244 -12.568 87 HB VAL 14 HB VAL 14 19.604 -0.379 -14.138 88 1HG1 VAL 14 HG11 VAL 14 17.094 0.216 -14.603 89 2HG1 VAL 14 HG12 VAL 14 16.879 -1.528 -14.453 90 3HG1 VAL 14 HG13 VAL 14 17.981 -0.876 -15.663 91 1HG2 VAL 14 HG21 VAL 14 18.873 -0.383 -11.568 92 2HG2 VAL 14 HG22 VAL 14 17.342 0.101 -12.299 93 3HG2 VAL 14 HG23 VAL 14 18.800 1.052 -12.587 94 H LEU 15 HN LEU 15 18.077 -1.795 -10.955 95 HA LEU 15 HA LEU 15 16.426 -4.108 -10.730 96 1HB LEU 15 HB2 LEU 15 16.890 -1.666 -9.067 97 2HB LEU 15 HB1 LEU 15 15.533 -2.714 -8.703 98 HG LEU 15 HG LEU 15 17.410 -4.585 -8.746 99 1HD1 LEU 15 HD11 LEU 15 19.118 -2.834 -9.415 100 2HD1 LEU 15 HD12 LEU 15 19.541 -3.875 -8.056 101 3HD1 LEU 15 HD13 LEU 15 18.987 -2.227 -7.764 102 1HD2 LEU 15 HD21 LEU 15 16.181 -2.950 -6.717 103 2HD2 LEU 15 HD22 LEU 15 17.794 -3.455 -6.218 104 3HD2 LEU 15 HD23 LEU 15 16.596 -4.663 -6.677 105 H ALA 16 HN ALA 16 15.847 -2.227 -12.977 106 HA ALA 16 HA ALA 16 13.473 -0.811 -12.516 107 1HB ALA 16 HB1 ALA 16 14.160 -2.080 -15.148 108 2HB ALA 16 HB2 ALA 16 15.048 -0.690 -14.523 109 3HB ALA 16 HB3 ALA 16 13.318 -0.561 -14.838 110 H ASN 17 HN ASN 17 14.036 -4.164 -12.597 111 HA ASN 17 HA ASN 17 11.383 -4.892 -13.492 112 1HB ASN 17 HB2 ASN 17 13.908 -6.251 -13.015 113 2HB ASN 17 HB1 ASN 17 12.556 -7.137 -12.316 114 1HD2 ASN 17 HD21 ASN 17 13.646 -5.574 -15.288 115 2HD2 ASN 17 HD22 ASN 17 12.828 -6.650 -16.364 116 H LEU 18 HN LEU 18 12.699 -3.773 -10.633 117 HA LEU 18 HA LEU 18 10.730 -5.196 -8.981 118 1HB LEU 18 HB2 LEU 18 13.247 -3.702 -8.250 119 2HB LEU 18 HB1 LEU 18 12.086 -4.264 -7.066 120 HG LEU 18 HG LEU 18 13.877 -5.837 -7.130 121 1HD1 LEU 18 HD11 LEU 18 11.655 -7.069 -8.735 122 2HD1 LEU 18 HD12 LEU 18 11.517 -6.687 -7.019 123 3HD1 LEU 18 HD13 LEU 18 12.718 -7.856 -7.569 124 1HD2 LEU 18 HD21 LEU 18 13.419 -6.030 -10.103 125 2HD2 LEU 18 HD22 LEU 18 14.556 -6.995 -9.165 126 3HD2 LEU 18 HD23 LEU 18 14.791 -5.254 -9.317 127 H THR 19 HN THR 19 9.423 -3.456 -10.420 128 HA THR 19 HA THR 19 9.386 -0.848 -9.170 129 HB THR 19 HB THR 19 7.695 -2.030 -11.382 130 HG1 THR 19 HG1 THR 19 10.140 -1.198 -11.454 131 1HG2 THR 19 HG21 THR 19 6.476 -0.240 -10.235 132 2HG2 THR 19 HG22 THR 19 6.949 0.210 -11.874 133 3HG2 THR 19 HG23 THR 19 7.847 0.840 -10.493 134 HA PRO 20 HA PRO 20 4.968 -2.382 -7.894 135 1HB PRO 20 HB2 PRO 20 4.558 -5.079 -7.916 136 2HB PRO 20 HB1 PRO 20 4.134 -4.017 -9.262 137 1HG PRO 20 HG2 PRO 20 6.550 -5.746 -8.901 138 2HG PRO 20 HG1 PRO 20 5.556 -5.498 -10.349 139 1HD PRO 20 HD2 PRO 20 7.921 -4.266 -10.009 140 2HD PRO 20 HD1 PRO 20 6.573 -3.485 -10.855 141 H GLU 21 HN GLU 21 7.885 -4.145 -7.197 142 HA GLU 21 HA GLU 21 7.035 -4.993 -4.575 143 1HB GLU 21 HB2 GLU 21 8.702 -6.239 -5.985 144 2HB GLU 21 HB1 GLU 21 9.838 -4.927 -5.700 145 1HG GLU 21 HG2 GLU 21 10.110 -5.462 -3.478 146 2HG GLU 21 HG1 GLU 21 8.568 -6.310 -3.385 147 H GLN 22 HN GLN 22 9.184 -2.510 -5.910 148 HA GLN 22 HA GLN 22 9.808 -1.444 -3.309 149 1HB GLN 22 HB2 GLN 22 10.329 -0.179 -5.996 150 2HB GLN 22 HB1 GLN 22 11.134 0.183 -4.475 151 1HG GLN 22 HG2 GLN 22 11.253 -2.525 -5.742 152 2HG GLN 22 HG1 GLN 22 12.384 -1.242 -6.164 153 1HE2 GLN 22 HE21 GLN 22 14.023 -2.695 -5.383 154 2HE2 GLN 22 HE22 GLN 22 14.345 -2.797 -3.688 155 H GLN 23 HN GLN 23 7.728 -0.555 -6.025 156 HA GLN 23 HA GLN 23 6.938 1.975 -5.185 157 1HB GLN 23 HB2 GLN 23 6.403 0.675 -7.374 158 2HB GLN 23 HB1 GLN 23 4.991 0.106 -6.494 159 1HG GLN 23 HG2 GLN 23 4.038 1.928 -7.391 160 2HG GLN 23 HG1 GLN 23 4.804 2.748 -6.029 161 1HE2 GLN 23 HE21 GLN 23 4.134 3.377 -8.979 162 2HE2 GLN 23 HE22 GLN 23 5.577 4.136 -9.550 163 H LYS 24 HN LYS 24 5.452 -1.178 -4.438 164 HA LYS 24 HA LYS 24 3.334 -0.189 -2.902 165 1HB LYS 24 HB2 LYS 24 4.804 -2.808 -2.943 166 2HB LYS 24 HB1 LYS 24 3.533 -2.513 -1.765 167 1HG LYS 24 HG2 LYS 24 3.074 -2.125 -4.702 168 2HG LYS 24 HG1 LYS 24 2.905 -3.705 -3.932 169 1HD LYS 24 HD2 LYS 24 1.534 -1.546 -2.513 170 2HD LYS 24 HD1 LYS 24 0.928 -1.820 -4.146 171 1HE LYS 24 HE2 LYS 24 1.073 -4.356 -3.329 172 2HE LYS 24 HE1 LYS 24 0.839 -3.576 -1.763 173 1HZ LYS 24 HZ1 LYS 24 -0.934 -3.341 -4.134 174 2HZ LYS 24 HZ2 LYS 24 -1.138 -2.481 -2.692 175 3HZ LYS 24 HZ3 LYS 24 -1.277 -4.168 -2.697 176 H ASN 25 HN ASN 25 6.603 -1.164 -1.968 177 HA ASN 25 HA ASN 25 6.436 -0.931 0.777 178 1HB ASN 25 HB2 ASN 25 8.599 -0.778 -1.215 179 2HB ASN 25 HB1 ASN 25 8.953 0.016 0.315 180 1HD2 ASN 25 HD21 ASN 25 9.883 -2.525 -1.043 181 2HD2 ASN 25 HD22 ASN 25 9.725 -3.735 0.180 182 H VAL 26 HN VAL 26 7.360 1.652 -1.517 183 HA VAL 26 HA VAL 26 7.658 3.691 0.358 184 HB VAL 26 HB VAL 26 8.169 3.674 -2.199 185 1HG1 VAL 26 HG11 VAL 26 5.873 3.418 -2.970 186 2HG1 VAL 26 HG12 VAL 26 6.569 4.924 -3.552 187 3HG1 VAL 26 HG13 VAL 26 5.433 4.940 -2.204 188 1HG2 VAL 26 HG21 VAL 26 8.452 6.024 -2.164 189 2HG2 VAL 26 HG22 VAL 26 8.653 5.470 -0.501 190 3HG2 VAL 26 HG23 VAL 26 7.143 6.232 -1.000 191 H LEU 27 HN LEU 27 4.781 2.625 -1.391 192 HA LEU 27 HA LEU 27 2.950 4.541 -0.764 193 1HB LEU 27 HB2 LEU 27 2.897 1.888 -1.676 194 2HB LEU 27 HB1 LEU 27 1.797 1.928 -0.315 195 HG LEU 27 HG LEU 27 1.256 4.191 -1.955 196 1HD1 LEU 27 HD11 LEU 27 0.698 3.193 -4.057 197 2HD1 LEU 27 HD12 LEU 27 1.183 1.599 -3.484 198 3HD1 LEU 27 HD13 LEU 27 2.394 2.858 -3.720 199 1HD2 LEU 27 HD21 LEU 27 -0.114 1.860 -0.826 200 2HD2 LEU 27 HD22 LEU 27 -0.832 2.481 -2.310 201 3HD2 LEU 27 HD23 LEU 27 -0.627 3.541 -0.920 202 H GLY 28 HN GLY 28 3.709 1.700 1.265 203 1HA GLY 28 HA2 GLY 28 2.028 2.375 3.397 204 2HA GLY 28 HA1 GLY 28 3.433 1.330 3.510 205 H GLU 29 HN GLU 29 5.441 3.212 2.859 206 HA GLU 29 HA GLU 29 5.858 4.406 5.380 207 1HB GLU 29 HB2 GLU 29 7.184 4.970 2.718 208 2HB GLU 29 HB1 GLU 29 7.760 5.575 4.264 209 1HG GLU 29 HG2 GLU 29 7.575 2.899 4.745 210 2HG GLU 29 HG1 GLU 29 8.052 2.937 3.049 211 H ARG 30 HN ARG 30 5.119 5.873 2.226 212 HA ARG 30 HA ARG 30 4.714 8.478 3.288 213 1HB ARG 30 HB2 ARG 30 3.593 7.450 0.682 214 2HB ARG 30 HB1 ARG 30 4.020 9.103 1.096 215 1HG ARG 30 HG2 ARG 30 6.226 7.162 1.243 216 2HG ARG 30 HG1 ARG 30 5.568 7.452 -0.367 217 1HD ARG 30 HD2 ARG 30 5.787 9.945 0.217 218 2HD ARG 30 HD1 ARG 30 6.833 9.402 1.528 219 HE ARG 30 HE ARG 30 8.478 9.037 -0.008 220 1HH1 ARG 30 HH11 ARG 30 5.418 9.145 -1.684 221 2HH1 ARG 30 HH12 ARG 30 6.133 9.040 -3.256 222 1HH2 ARG 30 HH21 ARG 30 9.421 8.895 -2.078 223 2HH2 ARG 30 HH22 ARG 30 8.406 8.898 -3.482 224 H LEU 31 HN LEU 31 2.821 5.690 3.420 225 HA LEU 31 HA LEU 31 0.247 6.952 3.285 226 1HB LEU 31 HB2 LEU 31 1.237 4.333 3.204 227 2HB LEU 31 HB1 LEU 31 0.252 4.410 4.641 228 HG LEU 31 HG LEU 31 -1.224 5.641 2.586 229 1HD1 LEU 31 HD11 LEU 31 0.451 4.347 1.138 230 2HD1 LEU 31 HD12 LEU 31 -1.267 4.166 0.797 231 3HD1 LEU 31 HD13 LEU 31 -0.408 2.910 1.687 232 1HD2 LEU 31 HD21 LEU 31 -2.682 4.552 3.888 233 2HD2 LEU 31 HD22 LEU 31 -1.440 3.452 4.473 234 3HD2 LEU 31 HD23 LEU 31 -2.280 3.108 2.966 235 H TYR 32 HN TYR 32 1.952 5.225 5.879 236 HA TYR 32 HA TYR 32 0.320 5.869 7.985 237 1HB TYR 32 HB2 TYR 32 2.369 4.322 7.914 238 2HB TYR 32 HB1 TYR 32 3.339 5.755 8.220 239 HD1 TYR 32 HD1 TYR 32 1.998 2.998 9.745 240 HD2 TYR 32 HD2 TYR 32 2.243 7.201 10.302 241 HE1 TYR 32 HE1 TYR 32 1.619 2.697 12.155 242 HE2 TYR 32 HE2 TYR 32 1.855 6.915 12.712 243 HH TYR 32 HH TYR 32 2.343 4.595 14.384 244 H ASN 33 HN ASN 33 2.820 7.832 6.502 245 HA ASN 33 HA ASN 33 2.898 9.838 8.494 246 1HB ASN 33 HB2 ASN 33 4.767 9.771 7.084 247 2HB ASN 33 HB1 ASN 33 3.788 9.684 5.628 248 1HD2 ASN 33 HD21 ASN 33 2.393 11.665 5.246 249 2HD2 ASN 33 HD22 ASN 33 3.146 13.197 5.535 250 H HIS 34 HN HIS 34 0.943 9.473 5.571 251 HA HIS 34 HA HIS 34 -0.073 12.085 5.560 252 1HB HIS 34 HB2 HIS 34 -1.731 11.310 4.063 253 2HB HIS 34 HB1 HIS 34 -0.286 10.390 3.696 254 HD1 HIS 34 HD1 HIS 34 -1.016 8.113 3.038 255 HD2 HIS 34 HD2 HIS 34 -3.271 9.618 6.158 256 HE1 HIS 34 HE1 HIS 34 -2.592 6.263 3.694 257 HE2 HIS 34 HE2 HIS 34 -3.942 7.191 5.589 258 H ILE 35 HN ILE 35 -1.164 9.164 7.119 259 HA ILE 35 HA ILE 35 -3.337 10.584 8.446 260 HB ILE 35 HB ILE 35 -4.091 8.552 7.557 261 1HG1 ILE 35 HG12 ILE 35 -3.599 7.583 10.336 262 2HG1 ILE 35 HG11 ILE 35 -4.513 9.071 10.107 263 1HG2 ILE 35 HG21 ILE 35 -3.034 6.378 8.009 264 2HG2 ILE 35 HG22 ILE 35 -1.716 7.215 8.828 265 3HG2 ILE 35 HG23 ILE 35 -1.991 7.473 7.107 266 1HD1 ILE 35 HD11 ILE 35 -5.178 6.331 9.105 267 2HD1 ILE 35 HD12 ILE 35 -6.003 7.786 8.555 268 3HD1 ILE 35 HD13 ILE 35 -6.080 7.318 10.250 269 H VAL 36 HN VAL 36 -0.128 9.547 9.199 270 HA VAL 36 HA VAL 36 -0.379 8.912 11.898 271 HB VAL 36 HB VAL 36 1.761 8.708 10.660 272 1HG1 VAL 36 HG11 VAL 36 1.642 10.959 9.583 273 2HG1 VAL 36 HG12 VAL 36 3.207 10.553 10.278 274 3HG1 VAL 36 HG13 VAL 36 2.126 11.653 11.127 275 1HG2 VAL 36 HG21 VAL 36 2.806 8.577 12.613 276 2HG2 VAL 36 HG22 VAL 36 1.370 9.302 13.335 277 3HG2 VAL 36 HG23 VAL 36 2.726 10.321 12.850 278 H ALA 37 HN ALA 37 0.172 12.095 10.422 279 HA ALA 37 HA ALA 37 0.031 13.506 12.893 280 1HB ALA 37 HB1 ALA 37 -0.394 15.429 11.051 281 2HB ALA 37 HB2 ALA 37 0.340 14.186 10.039 282 3HB ALA 37 HB3 ALA 37 1.201 14.794 11.454 283 H ILE 38 HN ILE 38 -2.274 12.294 10.669 284 HA ILE 38 HA ILE 38 -4.355 14.128 11.584 285 HB ILE 38 HB ILE 38 -4.734 11.818 9.693 286 1HG1 ILE 38 HG12 ILE 38 -2.985 13.183 8.758 287 2HG1 ILE 38 HG11 ILE 38 -4.474 13.539 7.888 288 1HG2 ILE 38 HG21 ILE 38 -6.554 13.492 10.909 289 2HG2 ILE 38 HG22 ILE 38 -6.832 12.545 9.446 290 3HG2 ILE 38 HG23 ILE 38 -6.320 14.228 9.325 291 1HD1 ILE 38 HD11 ILE 38 -4.724 15.519 9.464 292 2HD1 ILE 38 HD12 ILE 38 -3.453 15.609 8.244 293 3HD1 ILE 38 HD13 ILE 38 -3.046 15.219 9.916 294 H ASN 39 HN ASN 39 -4.261 10.571 11.249 295 HA ASN 39 HA ASN 39 -5.667 10.412 13.829 296 1HB ASN 39 HB2 ASN 39 -6.362 9.195 11.222 297 2HB ASN 39 HB1 ASN 39 -6.553 8.170 12.641 298 1HD2 ASN 39 HD21 ASN 39 -7.434 9.746 14.560 299 2HD2 ASN 39 HD22 ASN 39 -8.928 10.501 14.136 300 HA PRO 40 HA PRO 40 -1.596 8.212 14.223 301 1HB PRO 40 HB2 PRO 40 -2.453 8.672 17.043 302 2HB PRO 40 HB1 PRO 40 -0.859 8.869 16.305 303 1HG PRO 40 HG2 PRO 40 -2.361 10.990 16.870 304 2HG PRO 40 HG1 PRO 40 -1.397 10.929 15.382 305 1HD PRO 40 HD2 PRO 40 -4.337 10.584 15.752 306 2HD PRO 40 HD1 PRO 40 -3.446 11.331 14.411 307 H ALA 41 HN ALA 41 -4.753 7.727 15.678 308 HA ALA 41 HA ALA 41 -4.119 4.964 16.370 309 1HB ALA 41 HB1 ALA 41 -5.652 6.800 17.636 310 2HB ALA 41 HB2 ALA 41 -5.820 5.057 17.843 311 3HB ALA 41 HB3 ALA 41 -6.880 5.917 16.726 312 H ALA 42 HN ALA 42 -3.964 5.364 13.666 313 HA ALA 42 HA ALA 42 -5.969 3.531 12.712 314 1HB ALA 42 HB1 ALA 42 -6.027 6.406 11.970 315 2HB ALA 42 HB2 ALA 42 -7.355 5.273 12.211 316 3HB ALA 42 HB3 ALA 42 -6.395 5.207 10.730 317 H ALA 43 HN ALA 43 -3.384 5.781 11.846 318 HA ALA 43 HA ALA 43 -2.482 5.005 9.447 319 1HB ALA 43 HB1 ALA 43 -0.122 5.219 10.436 320 2HB ALA 43 HB2 ALA 43 -0.941 5.588 11.948 321 3HB ALA 43 HB3 ALA 43 -1.194 6.611 10.534 322 H ALA 44 HN ALA 44 -1.662 3.278 12.457 323 HA ALA 44 HA ALA 44 -0.152 1.233 11.416 324 1HB ALA 44 HB1 ALA 44 -1.724 1.646 13.854 325 2HB ALA 44 HB2 ALA 44 -0.078 1.048 13.651 326 3HB ALA 44 HB3 ALA 44 -1.445 -0.043 13.433 327 H LYS 45 HN LYS 45 -3.662 1.479 11.614 328 HA LYS 45 HA LYS 45 -4.073 -1.161 10.527 329 1HB LYS 45 HB2 LYS 45 -5.966 1.096 11.177 330 2HB LYS 45 HB1 LYS 45 -6.491 -0.442 10.507 331 1HG LYS 45 HG2 LYS 45 -4.831 -0.474 12.971 332 2HG LYS 45 HG1 LYS 45 -6.519 0.022 13.096 333 1HD LYS 45 HD2 LYS 45 -7.218 -2.088 12.936 334 2HD LYS 45 HD1 LYS 45 -6.274 -2.345 11.467 335 1HE LYS 45 HE2 LYS 45 -4.317 -2.381 13.334 336 2HE LYS 45 HE1 LYS 45 -5.663 -3.040 14.263 337 1HZ LYS 45 HZ1 LYS 45 -5.982 -4.571 12.264 338 2HZ LYS 45 HZ2 LYS 45 -4.680 -4.889 13.294 339 3HZ LYS 45 HZ3 LYS 45 -4.417 -4.116 11.812 340 H VAL 46 HN VAL 46 -4.542 2.177 9.436 341 HA VAL 46 HA VAL 46 -5.532 1.611 6.883 342 HB VAL 46 HB VAL 46 -3.931 3.973 7.875 343 1HG1 VAL 46 HG11 VAL 46 -5.213 4.990 5.779 344 2HG1 VAL 46 HG12 VAL 46 -5.013 3.341 5.190 345 3HG1 VAL 46 HG13 VAL 46 -3.601 4.292 5.647 346 1HG2 VAL 46 HG21 VAL 46 -6.846 3.942 7.211 347 2HG2 VAL 46 HG22 VAL 46 -5.958 5.015 8.290 348 3HG2 VAL 46 HG23 VAL 46 -6.274 3.351 8.770 349 H THR 47 HN THR 47 -2.205 2.252 7.936 350 HA THR 47 HA THR 47 -1.005 1.940 5.415 351 HB THR 47 HB THR 47 0.243 1.456 8.123 352 HG1 THR 47 HG1 THR 47 -0.084 3.490 8.427 353 1HG2 THR 47 HG21 THR 47 2.303 2.211 7.117 354 2HG2 THR 47 HG22 THR 47 1.497 2.403 5.562 355 3HG2 THR 47 HG23 THR 47 1.684 0.797 6.263 356 H GLY 48 HN GLY 48 -1.322 -0.347 8.114 357 1HA GLY 48 HA2 GLY 48 -0.048 -2.481 6.741 358 2HA GLY 48 HA1 GLY 48 -0.993 -2.618 8.216 359 H MET 49 HN MET 49 -3.466 -1.944 7.560 360 HA MET 49 HA MET 49 -4.319 -4.175 6.001 361 1HB MET 49 HB2 MET 49 -5.959 -1.875 7.077 362 2HB MET 49 HB1 MET 49 -6.583 -3.408 6.489 363 1HG MET 49 HG2 MET 49 -4.780 -3.078 8.873 364 2HG MET 49 HG1 MET 49 -6.532 -3.270 8.936 365 1HE MET 49 HE1 MET 49 -3.429 -5.764 7.178 366 2HE MET 49 HE2 MET 49 -3.292 -6.181 8.887 367 3HE MET 49 HE3 MET 49 -3.205 -4.494 8.379 368 H LEU 50 HN LEU 50 -4.616 -0.649 5.600 369 HA LEU 50 HA LEU 50 -5.502 0.531 3.802 370 1HB LEU 50 HB2 LEU 50 -3.025 0.536 3.665 371 2HB LEU 50 HB1 LEU 50 -3.116 -0.804 2.542 372 HG LEU 50 HG LEU 50 -4.387 0.594 0.970 373 1HD1 LEU 50 HD11 LEU 50 -4.214 2.532 3.210 374 2HD1 LEU 50 HD12 LEU 50 -5.543 2.201 2.098 375 3HD1 LEU 50 HD13 LEU 50 -4.157 3.150 1.559 376 1HD2 LEU 50 HD21 LEU 50 -2.422 1.065 0.076 377 2HD2 LEU 50 HD22 LEU 50 -1.646 0.831 1.642 378 3HD2 LEU 50 HD23 LEU 50 -2.235 2.424 1.178 379 H LEU 51 HN LEU 51 -4.258 -2.407 2.242 380 HA LEU 51 HA LEU 51 -6.179 -2.349 0.164 381 1HB LEU 51 HB2 LEU 51 -4.339 -4.534 1.114 382 2HB LEU 51 HB1 LEU 51 -5.294 -4.618 -0.355 383 HG LEU 51 HG LEU 51 -3.774 -2.180 -0.347 384 1HD1 LEU 51 HD11 LEU 51 -1.704 -4.100 -0.672 385 2HD1 LEU 51 HD12 LEU 51 -2.412 -4.309 0.929 386 3HD1 LEU 51 HD13 LEU 51 -1.786 -2.734 0.442 387 1HD2 LEU 51 HD21 LEU 51 -4.721 -3.297 -2.311 388 2HD2 LEU 51 HD22 LEU 51 -3.604 -4.641 -2.078 389 3HD2 LEU 51 HD23 LEU 51 -2.987 -3.038 -2.473 390 H GLU 52 HN GLU 52 -8.065 -2.099 1.638 391 HA GLU 52 HA GLU 52 -8.962 -4.572 2.889 392 1HB GLU 52 HB2 GLU 52 -10.082 -1.766 2.858 393 2HB GLU 52 HB1 GLU 52 -10.900 -3.122 3.619 394 1HG GLU 52 HG2 GLU 52 -8.103 -2.322 4.349 395 2HG GLU 52 HG1 GLU 52 -9.524 -1.614 5.115 396 H MET 53 HN MET 53 -11.474 -4.903 2.569 397 HA MET 53 HA MET 53 -11.809 -5.712 -0.113 398 1HB MET 53 HB2 MET 53 -13.816 -5.461 2.126 399 2HB MET 53 HB1 MET 53 -14.145 -6.246 0.589 400 1HG MET 53 HG2 MET 53 -11.912 -7.097 2.396 401 2HG MET 53 HG1 MET 53 -13.545 -7.739 2.536 402 1HE MET 53 HE1 MET 53 -10.140 -8.919 0.202 403 2HE MET 53 HE2 MET 53 -10.431 -7.292 0.814 404 3HE MET 53 HE3 MET 53 -10.765 -7.671 -0.876 405 H ASP 54 HN ASP 54 -13.739 -3.299 1.705 406 HA ASP 54 HA ASP 54 -14.618 -2.157 -0.822 407 1HB ASP 54 HB2 ASP 54 -16.070 -0.747 0.622 408 2HB ASP 54 HB1 ASP 54 -16.363 -2.471 0.764 409 H ASN 55 HN ASN 55 -13.585 -0.635 2.222 410 HA ASN 55 HA ASN 55 -12.840 1.786 1.163 411 1HB ASN 55 HB2 ASN 55 -12.994 0.914 3.634 412 2HB ASN 55 HB1 ASN 55 -11.268 0.623 3.427 413 1HD2 ASN 55 HD21 ASN 55 -9.941 2.394 2.838 414 2HD2 ASN 55 HD22 ASN 55 -10.371 3.992 3.313 415 H GLY 56 HN GLY 56 -11.239 -1.247 0.860 416 1HA GLY 56 HA2 GLY 56 -8.610 -0.241 0.403 417 2HA GLY 56 HA1 GLY 56 -9.192 -1.847 -0.003 418 H GLU 57 HN GLU 57 -10.934 -1.718 -1.914 419 HA GLU 57 HA GLU 57 -9.723 -1.332 -4.265 420 1HB GLU 57 HB2 GLU 57 -12.564 -0.416 -3.845 421 2HB GLU 57 HB1 GLU 57 -11.837 -0.992 -5.339 422 1HG GLU 57 HG2 GLU 57 -12.380 -2.592 -2.861 423 2HG GLU 57 HG1 GLU 57 -13.216 -2.717 -4.406 424 H ILE 58 HN ILE 58 -11.509 1.293 -2.648 425 HA ILE 58 HA ILE 58 -11.041 3.293 -4.518 426 HB ILE 58 HB ILE 58 -11.305 3.513 -1.519 427 1HG1 ILE 58 HG12 ILE 58 -13.467 4.427 -3.292 428 2HG1 ILE 58 HG11 ILE 58 -13.149 2.698 -3.358 429 1HG2 ILE 58 HG21 ILE 58 -10.533 5.525 -3.379 430 2HG2 ILE 58 HG22 ILE 58 -10.856 5.687 -1.653 431 3HG2 ILE 58 HG23 ILE 58 -12.165 5.886 -2.816 432 1HD1 ILE 58 HD11 ILE 58 -13.254 3.717 -0.643 433 2HD1 ILE 58 HD12 ILE 58 -14.094 2.351 -1.379 434 3HD1 ILE 58 HD13 ILE 58 -14.750 3.981 -1.542 435 H LEU 59 HN LEU 59 -9.064 2.312 -1.747 436 HA LEU 59 HA LEU 59 -7.144 4.194 -1.679 437 1HB LEU 59 HB2 LEU 59 -5.825 2.715 -0.539 438 2HB LEU 59 HB1 LEU 59 -7.409 2.008 -0.353 439 HG LEU 59 HG LEU 59 -6.734 0.579 -2.434 440 1HD1 LEU 59 HD11 LEU 59 -4.217 0.069 -2.187 441 2HD1 LEU 59 HD12 LEU 59 -4.115 1.677 -1.471 442 3HD1 LEU 59 HD13 LEU 59 -4.701 1.482 -3.123 443 1HD2 LEU 59 HD21 LEU 59 -7.008 -0.814 -0.710 444 2HD2 LEU 59 HD22 LEU 59 -6.285 0.318 0.432 445 3HD2 LEU 59 HD23 LEU 59 -5.255 -0.740 -0.533 446 H ASN 60 HN ASN 60 -7.570 1.839 -4.194 447 HA ASN 60 HA ASN 60 -5.123 1.694 -5.401 448 1HB ASN 60 HB2 ASN 60 -7.628 0.922 -6.104 449 2HB ASN 60 HB1 ASN 60 -7.339 2.190 -7.290 450 1HD2 ASN 60 HD21 ASN 60 -4.717 1.943 -7.855 451 2HD2 ASN 60 HD22 ASN 60 -4.389 0.395 -8.549 452 H LEU 61 HN LEU 61 -7.125 4.515 -5.144 453 HA LEU 61 HA LEU 61 -5.355 5.947 -7.007 454 1HB LEU 61 HB2 LEU 61 -8.173 6.561 -6.123 455 2HB LEU 61 HB1 LEU 61 -7.192 7.646 -7.090 456 HG LEU 61 HG LEU 61 -7.339 4.991 -8.271 457 1HD1 LEU 61 HD11 LEU 61 -9.930 6.508 -8.040 458 2HD1 LEU 61 HD12 LEU 61 -9.545 5.055 -7.117 459 3HD1 LEU 61 HD13 LEU 61 -9.653 4.981 -8.875 460 1HD2 LEU 61 HD21 LEU 61 -6.590 6.654 -9.683 461 2HD2 LEU 61 HD22 LEU 61 -7.757 7.834 -9.087 462 3HD2 LEU 61 HD23 LEU 61 -8.287 6.529 -10.149 463 H LEU 62 HN LEU 62 -3.990 5.792 -4.868 464 HA LEU 62 HA LEU 62 -4.294 7.032 -2.543 465 1HB LEU 62 HB2 LEU 62 -1.994 7.124 -4.442 466 2HB LEU 62 HB1 LEU 62 -1.896 7.992 -2.923 467 HG LEU 62 HG LEU 62 -2.728 5.163 -2.781 468 1HD1 LEU 62 HD11 LEU 62 0.194 5.605 -2.950 469 2HD1 LEU 62 HD12 LEU 62 -0.715 5.569 -4.464 470 3HD1 LEU 62 HD13 LEU 62 -0.775 4.191 -3.369 471 1HD2 LEU 62 HD21 LEU 62 -0.935 5.393 -0.891 472 2HD2 LEU 62 HD22 LEU 62 -2.533 6.108 -0.690 473 3HD2 LEU 62 HD23 LEU 62 -1.166 7.119 -1.158 474 H ASP 63 HN ASP 63 -5.953 8.616 -2.762 475 HA ASP 63 HA ASP 63 -5.146 11.175 -3.947 476 1HB ASP 63 HB2 ASP 63 -7.708 9.809 -3.540 477 2HB ASP 63 HB1 ASP 63 -7.745 11.517 -3.110 478 H THR 64 HN THR 64 -5.726 13.178 -2.758 479 HA THR 64 HA THR 64 -4.688 13.016 -0.099 480 HB THR 64 HB THR 64 -5.862 15.382 -1.575 481 HG1 THR 64 HG1 THR 64 -3.724 15.868 -2.015 482 1HG2 THR 64 HG21 THR 64 -5.365 16.731 0.120 483 2HG2 THR 64 HG22 THR 64 -3.848 15.897 0.456 484 3HG2 THR 64 HG23 THR 64 -5.363 15.271 1.109 485 HA PRO 65 HA PRO 65 -9.127 14.168 1.207 486 1HB PRO 65 HB2 PRO 65 -11.118 14.133 -0.626 487 2HB PRO 65 HB1 PRO 65 -10.137 15.563 -0.300 488 1HG PRO 65 HG2 PRO 65 -10.010 13.656 -2.576 489 2HG PRO 65 HG1 PRO 65 -9.685 15.394 -2.543 490 1HD PRO 65 HD2 PRO 65 -7.754 13.396 -2.545 491 2HD PRO 65 HD1 PRO 65 -7.496 15.079 -2.059 492 H GLY 66 HN GLY 66 -9.971 12.109 -1.592 493 1HA GLY 66 HA2 GLY 66 -11.639 10.339 -0.394 494 2HA GLY 66 HA1 GLY 66 -10.574 9.893 -1.718 495 H LEU 67 HN LEU 67 -8.144 9.692 -0.789 496 HA LEU 67 HA LEU 67 -8.098 7.334 0.699 497 1HB LEU 67 HB2 LEU 67 -6.260 9.024 -0.589 498 2HB LEU 67 HB1 LEU 67 -5.664 8.832 1.045 499 HG LEU 67 HG LEU 67 -4.846 7.227 -0.789 500 1HD1 LEU 67 HD11 LEU 67 -5.008 7.013 1.919 501 2HD1 LEU 67 HD12 LEU 67 -4.153 5.895 0.857 502 3HD1 LEU 67 HD13 LEU 67 -5.794 5.527 1.384 503 1HD2 LEU 67 HD21 LEU 67 -7.142 5.502 -0.145 504 2HD2 LEU 67 HD22 LEU 67 -6.192 5.638 -1.627 505 3HD2 LEU 67 HD23 LEU 67 -7.449 6.823 -1.272 506 H LEU 68 HN LEU 68 -6.774 10.443 1.833 507 HA LEU 68 HA LEU 68 -6.519 9.822 4.489 508 1HB LEU 68 HB2 LEU 68 -6.767 12.279 2.947 509 2HB LEU 68 HB1 LEU 68 -7.331 12.451 4.593 510 HG LEU 68 HG LEU 68 -4.930 11.154 4.930 511 1HD1 LEU 68 HD11 LEU 68 -4.560 13.204 2.752 512 2HD1 LEU 68 HD12 LEU 68 -4.419 11.460 2.537 513 3HD1 LEU 68 HD13 LEU 68 -3.291 12.314 3.591 514 1HD2 LEU 68 HD21 LEU 68 -5.444 12.875 6.381 515 2HD2 LEU 68 HD22 LEU 68 -5.802 14.008 5.080 516 3HD2 LEU 68 HD23 LEU 68 -4.130 13.569 5.434 517 H ASP 69 HN ASP 69 -9.488 10.425 2.766 518 HA ASP 69 HA ASP 69 -11.007 10.879 5.187 519 1HB ASP 69 HB2 ASP 69 -11.509 11.841 2.841 520 2HB ASP 69 HB1 ASP 69 -12.206 10.263 2.498 521 H ALA 70 HN ALA 70 -11.188 8.391 2.620 522 HA ALA 70 HA ALA 70 -12.767 6.638 4.175 523 1HB ALA 70 HB1 ALA 70 -11.726 4.946 2.402 524 2HB ALA 70 HB2 ALA 70 -11.292 6.457 1.608 525 3HB ALA 70 HB3 ALA 70 -12.981 6.107 1.976 526 H LYS 71 HN LYS 71 -9.379 7.271 4.093 527 HA LYS 71 HA LYS 71 -8.478 4.781 5.150 528 1HB LYS 71 HB2 LYS 71 -7.289 7.524 4.892 529 2HB LYS 71 HB1 LYS 71 -6.443 6.257 5.762 530 1HG LYS 71 HG2 LYS 71 -7.109 6.398 2.841 531 2HG LYS 71 HG1 LYS 71 -5.536 6.222 3.613 532 1HD LYS 71 HD2 LYS 71 -5.861 4.074 2.947 533 2HD LYS 71 HD1 LYS 71 -6.643 3.998 4.524 534 1HE LYS 71 HE2 LYS 71 -8.378 3.167 3.411 535 2HE LYS 71 HE1 LYS 71 -8.684 4.836 2.935 536 1HZ LYS 71 HZ1 LYS 71 -7.982 2.622 1.321 537 2HZ LYS 71 HZ2 LYS 71 -6.828 3.845 1.142 538 3HZ LYS 71 HZ3 LYS 71 -8.461 4.174 0.847 539 H VAL 72 HN VAL 72 -8.812 8.006 6.601 540 HA VAL 72 HA VAL 72 -8.233 7.178 9.231 541 HB VAL 72 HB VAL 72 -9.195 9.335 9.931 542 1HG1 VAL 72 HG11 VAL 72 -7.742 10.736 8.225 543 2HG1 VAL 72 HG12 VAL 72 -7.206 9.130 7.734 544 3HG1 VAL 72 HG13 VAL 72 -6.997 9.657 9.404 545 1HG2 VAL 72 HG21 VAL 72 -11.038 9.737 8.593 546 2HG2 VAL 72 HG22 VAL 72 -10.172 9.358 7.106 547 3HG2 VAL 72 HG23 VAL 72 -9.851 10.871 7.952 548 H GLN 73 HN GLN 73 -11.320 7.738 7.568 549 HA GLN 73 HA GLN 73 -12.970 7.211 9.769 550 1HB GLN 73 HB2 GLN 73 -13.629 6.750 6.861 551 2HB GLN 73 HB1 GLN 73 -14.764 7.057 8.170 552 1HG GLN 73 HG2 GLN 73 -12.693 9.001 7.177 553 2HG GLN 73 HG1 GLN 73 -14.402 9.024 6.747 554 1HE2 GLN 73 HE21 GLN 73 -12.521 10.868 8.253 555 2HE2 GLN 73 HE22 GLN 73 -13.376 11.243 9.706 556 H GLU 74 HN GLU 74 -12.040 5.060 7.066 557 HA GLU 74 HA GLU 74 -13.373 2.782 7.961 558 1HB GLU 74 HB2 GLU 74 -12.484 2.864 5.737 559 2HB GLU 74 HB1 GLU 74 -10.845 3.063 6.338 560 1HG GLU 74 HG2 GLU 74 -12.180 0.643 7.289 561 2HG GLU 74 HG1 GLU 74 -11.956 0.711 5.541 562 H ALA 75 HN ALA 75 -10.293 4.127 8.892 563 HA ALA 75 HA ALA 75 -9.497 1.803 10.408 564 1HB ALA 75 HB1 ALA 75 -8.031 3.575 9.197 565 2HB ALA 75 HB2 ALA 75 -7.482 2.868 10.717 566 3HB ALA 75 HB3 ALA 75 -8.216 4.470 10.697 567 H LEU 76 HN LEU 76 -10.803 5.016 11.067 568 HA LEU 76 HA LEU 76 -10.607 4.805 13.896 569 1HB LEU 76 HB2 LEU 76 -11.527 6.741 11.974 570 2HB LEU 76 HB1 LEU 76 -12.694 6.590 13.264 571 HG LEU 76 HG LEU 76 -9.780 7.299 13.556 572 1HD1 LEU 76 HD11 LEU 76 -10.929 9.378 14.578 573 2HD1 LEU 76 HD12 LEU 76 -12.338 8.840 13.662 574 3HD1 LEU 76 HD13 LEU 76 -10.834 9.222 12.824 575 1HD2 LEU 76 HD21 LEU 76 -11.783 7.320 15.783 576 2HD2 LEU 76 HD22 LEU 76 -10.021 7.322 15.865 577 3HD2 LEU 76 HD23 LEU 76 -10.880 5.855 15.399 578 H GLU 77 HN GLU 77 -13.012 3.924 11.520 579 HA GLU 77 HA GLU 77 -15.129 3.444 13.375 580 1HB GLU 77 HB2 GLU 77 -15.629 3.885 11.041 581 2HB GLU 77 HB1 GLU 77 -14.686 2.489 10.539 582 1HG GLU 77 HG2 GLU 77 -16.464 1.320 12.209 583 2HG GLU 77 HG1 GLU 77 -17.427 2.652 11.575 584 H VAL 78 HN VAL 78 -12.967 1.296 11.543 585 HA VAL 78 HA VAL 78 -13.812 -1.052 12.917 586 HB VAL 78 HB VAL 78 -12.858 -1.074 10.623 587 1HG1 VAL 78 HG11 VAL 78 -10.985 0.582 11.363 588 2HG1 VAL 78 HG12 VAL 78 -10.651 -0.634 10.132 589 3HG1 VAL 78 HG13 VAL 78 -10.117 -0.891 11.794 590 1HG2 VAL 78 HG21 VAL 78 -12.814 -3.210 11.336 591 2HG2 VAL 78 HG22 VAL 78 -11.974 -2.806 12.835 592 3HG2 VAL 78 HG23 VAL 78 -11.071 -2.952 11.328 593 H LEU 79 HN LEU 79 -11.032 1.130 13.229 594 HA LEU 79 HA LEU 79 -9.440 1.351 14.836 595 1HB LEU 79 HB2 LEU 79 -11.937 0.695 16.212 596 2HB LEU 79 HB1 LEU 79 -10.513 0.305 17.153 597 HG LEU 79 HG LEU 79 -11.216 3.021 16.037 598 1HD1 LEU 79 HD11 LEU 79 -12.154 3.501 18.002 599 2HD1 LEU 79 HD12 LEU 79 -10.855 2.725 18.909 600 3HD1 LEU 79 HD13 LEU 79 -12.191 1.759 18.280 601 1HD2 LEU 79 HD21 LEU 79 -8.729 2.354 16.181 602 2HD2 LEU 79 HD22 LEU 79 -8.964 2.437 17.925 603 3HD2 LEU 79 HD23 LEU 79 -9.241 3.865 16.929 604 H ASN 80 HN ASN 80 -8.623 -0.090 16.989 605 HA ASN 80 HA ASN 80 -7.197 -2.212 15.844 606 1HB ASN 80 HB2 ASN 80 -7.189 -0.816 18.285 607 2HB ASN 80 HB1 ASN 80 -7.426 -2.508 18.711 608 1HD2 ASN 80 HD21 ASN 80 -5.889 -4.055 17.826 609 2HD2 ASN 80 HD22 ASN 80 -4.252 -3.560 17.583 610 H ARG 81 HN ARG 81 -10.444 -2.188 16.580 611 HA ARG 81 HA ARG 81 -10.817 -4.727 17.752 612 1HB ARG 81 HB2 ARG 81 -12.528 -2.765 16.308 613 2HB ARG 81 HB1 ARG 81 -13.125 -4.410 16.451 614 1HG ARG 81 HG2 ARG 81 -12.131 -3.010 18.886 615 2HG ARG 81 HG1 ARG 81 -13.726 -2.611 18.240 616 1HD ARG 81 HD2 ARG 81 -13.394 -5.457 18.304 617 2HD ARG 81 HD1 ARG 81 -13.015 -4.780 19.888 618 HE ARG 81 HE ARG 81 -15.581 -5.059 18.761 619 1HH1 ARG 81 HH11 ARG 81 -13.676 -2.794 20.611 620 2HH1 ARG 81 HH12 ARG 81 -15.047 -2.098 21.405 621 1HH2 ARG 81 HH21 ARG 81 -17.385 -4.145 19.803 622 2HH2 ARG 81 HH22 ARG 81 -17.154 -2.865 20.949 623 H HIS 82 HN HIS 82 -8.988 -4.622 15.371 624 HA HIS 82 HA HIS 82 -10.277 -6.019 13.254 625 1HB HIS 82 HB2 HIS 82 -7.809 -4.700 13.669 626 2HB HIS 82 HB1 HIS 82 -7.423 -6.367 13.235 627 HD1 HIS 82 HD1 HIS 82 -10.390 -4.529 11.855 628 HD2 HIS 82 HD2 HIS 82 -6.640 -5.823 10.640 629 HE1 HIS 82 HE1 HIS 82 -10.326 -4.146 9.371 630 HE2 HIS 82 HE2 HIS 82 -8.090 -5.053 8.639 631 H MET 83 HN MET 83 -11.106 -7.961 13.762 632 HA MET 83 HA MET 83 -9.396 -9.874 15.200 633 1HB MET 83 HB2 MET 83 -11.968 -9.183 15.737 634 2HB MET 83 HB1 MET 83 -12.218 -10.581 14.699 635 1HG MET 83 HG2 MET 83 -10.336 -11.558 16.350 636 2HG MET 83 HG1 MET 83 -11.132 -10.413 17.428 637 1HE MET 83 HE1 MET 83 -11.183 -13.917 15.942 638 2HE MET 83 HE2 MET 83 -12.329 -14.544 17.126 639 3HE MET 83 HE3 MET 83 -10.904 -13.654 17.663 640 H ASN 84 HN ASN 84 -10.810 -9.170 12.151 641 HA ASN 84 HA ASN 84 -10.243 -11.892 11.192 642 1HB ASN 84 HB2 ASN 84 -12.543 -11.006 10.813 643 2HB ASN 84 HB1 ASN 84 -11.850 -9.721 9.828 644 1HD2 ASN 84 HD21 ASN 84 -13.276 -10.614 8.186 645 2HD2 ASN 84 HD22 ASN 84 -12.728 -11.949 7.239 646 H VAL 85 HN VAL 85 -7.997 -11.622 10.997 647 HA VAL 85 HA VAL 85 -7.206 -10.083 8.631 648 HB VAL 85 HB VAL 85 -6.572 -8.662 10.481 649 1HG1 VAL 85 HG11 VAL 85 -6.381 -10.871 11.983 650 2HG1 VAL 85 HG12 VAL 85 -5.631 -9.338 12.423 651 3HG1 VAL 85 HG13 VAL 85 -4.671 -10.598 11.649 652 1HG2 VAL 85 HG21 VAL 85 -4.613 -8.143 9.541 653 2HG2 VAL 85 HG22 VAL 85 -4.847 -9.565 8.527 654 3HG2 VAL 85 HG23 VAL 85 -3.890 -9.683 10.002 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 24.400 1.690 -30.497 2 2H GLY 1 HT2 GLY 1 25.628 2.845 -30.354 3 3H GLY 1 HT3 GLY 1 25.854 1.288 -29.730 4 1HA GLY 1 HA1 GLY 1 26.964 0.947 -31.637 5 2HA GLY 1 HA2 GLY 1 25.342 0.652 -32.243 6 H SER 2 HN SER 2 24.305 3.188 -32.395 7 HA SER 2 HA SER 2 26.147 4.894 -33.829 8 1HB SER 2 HB2 SER 2 23.906 3.442 -35.240 9 2HB SER 2 HB1 SER 2 24.655 4.903 -35.885 10 HG SER 2 HG SER 2 26.691 3.704 -35.678 11 H SER 3 HN SER 3 22.618 4.370 -33.743 12 HA SER 3 HA SER 3 22.289 7.202 -33.063 13 1HB SER 3 HB2 SER 3 20.647 5.198 -34.498 14 2HB SER 3 HB1 SER 3 19.759 6.349 -33.502 15 HG SER 3 HG SER 3 20.193 7.857 -34.896 16 H LEU 4 HN LEU 4 20.490 4.232 -32.244 17 HA LEU 4 HA LEU 4 20.127 5.297 -29.536 18 1HB LEU 4 HB2 LEU 4 18.409 3.408 -29.398 19 2HB LEU 4 HB1 LEU 4 18.034 4.782 -30.422 20 HG LEU 4 HG LEU 4 19.345 2.462 -31.729 21 1HD1 LEU 4 HD11 LEU 4 16.725 2.340 -30.363 22 2HD1 LEU 4 HD12 LEU 4 17.871 1.054 -30.742 23 3HD1 LEU 4 HD13 LEU 4 16.806 1.683 -31.998 24 1HD2 LEU 4 HD21 LEU 4 17.399 4.614 -32.410 25 2HD2 LEU 4 HD22 LEU 4 17.400 3.129 -33.357 26 3HD2 LEU 4 HD23 LEU 4 18.862 4.108 -33.254 27 H ALA 5 HN ALA 5 20.603 4.087 -27.706 28 HA ALA 5 HA ALA 5 22.757 2.189 -28.041 29 1HB ALA 5 HB1 ALA 5 23.147 3.703 -26.308 30 2HB ALA 5 HB2 ALA 5 22.668 2.222 -25.477 31 3HB ALA 5 HB3 ALA 5 21.511 3.539 -25.671 32 H SER 6 HN SER 6 22.750 0.222 -26.542 33 HA SER 6 HA SER 6 20.445 -1.373 -27.224 34 1HB SER 6 HB2 SER 6 23.171 -1.887 -26.780 35 2HB SER 6 HB1 SER 6 22.322 -2.715 -25.476 36 HG SER 6 HG SER 6 22.597 -3.928 -27.485 37 H GLN 7 HN GLN 7 21.808 0.109 -24.365 38 HA GLN 7 HA GLN 7 20.160 -1.288 -22.496 39 1HB GLN 7 HB2 GLN 7 21.845 1.203 -22.300 40 2HB GLN 7 HB1 GLN 7 20.892 0.606 -20.947 41 1HG GLN 7 HG2 GLN 7 22.375 -0.976 -20.462 42 2HG GLN 7 HG1 GLN 7 22.539 -1.462 -22.147 43 1HE2 GLN 7 HE21 GLN 7 23.499 0.776 -23.328 44 2HE2 GLN 7 HE22 GLN 7 25.053 1.174 -22.688 45 H GLY 8 HN GLY 8 18.220 -0.820 -23.994 46 1HA GLY 8 HA2 GLY 8 17.062 1.797 -23.869 47 2HA GLY 8 HA1 GLY 8 16.271 0.334 -24.434 48 H GLN 9 HN GLN 9 14.871 -0.701 -23.129 49 HA GLN 9 HA GLN 9 14.069 0.647 -20.711 50 1HB GLN 9 HB2 GLN 9 12.376 -1.313 -20.642 51 2HB GLN 9 HB1 GLN 9 12.218 -0.097 -21.900 52 1HG GLN 9 HG2 GLN 9 12.221 -1.721 -23.399 53 2HG GLN 9 HG1 GLN 9 13.886 -2.087 -22.958 54 1HE2 GLN 9 HE21 GLN 9 10.605 -3.073 -22.771 55 2HE2 GLN 9 HE22 GLN 9 10.873 -4.568 -21.946 56 H ASN 10 HN ASN 10 16.416 0.045 -19.966 57 HA ASN 10 HA ASN 10 16.864 -2.577 -18.996 58 1HB ASN 10 HB2 ASN 10 18.258 -0.023 -18.975 59 2HB ASN 10 HB1 ASN 10 18.457 -0.899 -17.460 60 1HD2 ASN 10 HD21 ASN 10 20.500 -1.577 -17.632 61 2HD2 ASN 10 HD22 ASN 10 21.097 -2.603 -18.888 62 H LEU 11 HN LEU 11 16.090 0.451 -17.319 63 HA LEU 11 HA LEU 11 15.788 -0.595 -14.760 64 1HB LEU 11 HB2 LEU 11 14.233 1.399 -14.415 65 2HB LEU 11 HB1 LEU 11 15.885 1.732 -14.900 66 HG LEU 11 HG LEU 11 14.023 1.490 -17.153 67 1HD1 LEU 11 HD11 LEU 11 13.470 4.064 -16.399 68 2HD1 LEU 11 HD12 LEU 11 13.345 3.186 -14.876 69 3HD1 LEU 11 HD13 LEU 11 12.368 2.696 -16.258 70 1HD2 LEU 11 HD21 LEU 11 16.489 2.367 -16.956 71 2HD2 LEU 11 HD22 LEU 11 15.690 3.880 -16.523 72 3HD2 LEU 11 HD23 LEU 11 15.352 3.117 -18.077 73 H SER 12 HN SER 12 13.505 -0.420 -17.425 74 HA SER 12 HA SER 12 11.174 -1.101 -16.036 75 1HB SER 12 HB2 SER 12 11.997 -0.842 -18.789 76 2HB SER 12 HB1 SER 12 10.963 -2.258 -18.595 77 HG SER 12 HG SER 12 9.638 -0.615 -17.289 78 H THR 13 HN THR 13 13.382 -3.216 -17.878 79 HA THR 13 HA THR 13 12.092 -5.617 -17.104 80 HB THR 13 HB THR 13 14.905 -5.162 -18.121 81 HG1 THR 13 HG1 THR 13 13.902 -5.881 -20.102 82 1HG2 THR 13 HG21 THR 13 14.741 -7.358 -17.097 83 2HG2 THR 13 HG22 THR 13 14.852 -7.484 -18.853 84 3HG2 THR 13 HG23 THR 13 13.297 -7.705 -18.049 85 H VAL 14 HN VAL 14 14.676 -3.710 -15.699 86 HA VAL 14 HA VAL 14 15.673 -5.642 -13.904 87 HB VAL 14 HB VAL 14 15.669 -2.625 -13.741 88 1HG1 VAL 14 HG11 VAL 14 15.856 -3.761 -11.492 89 2HG1 VAL 14 HG12 VAL 14 17.211 -2.726 -11.939 90 3HG1 VAL 14 HG13 VAL 14 17.359 -4.477 -12.074 91 1HG2 VAL 14 HG21 VAL 14 16.968 -4.071 -15.526 92 2HG2 VAL 14 HG22 VAL 14 18.099 -4.280 -14.188 93 3HG2 VAL 14 HG23 VAL 14 17.711 -2.660 -14.770 94 H LEU 15 HN LEU 15 13.662 -2.811 -13.058 95 HA LEU 15 HA LEU 15 12.788 -4.112 -10.643 96 1HB LEU 15 HB2 LEU 15 12.784 -1.421 -11.722 97 2HB LEU 15 HB1 LEU 15 11.247 -1.820 -10.975 98 HG LEU 15 HG LEU 15 12.634 -2.575 -8.946 99 1HD1 LEU 15 HD11 LEU 15 14.802 -2.607 -10.084 100 2HD1 LEU 15 HD12 LEU 15 14.806 -1.513 -8.702 101 3HD1 LEU 15 HD13 LEU 15 14.692 -0.865 -10.338 102 1HD2 LEU 15 HD21 LEU 15 11.435 -0.199 -9.621 103 2HD2 LEU 15 HD22 LEU 15 13.046 0.306 -9.114 104 3HD2 LEU 15 HD23 LEU 15 12.032 -0.635 -8.022 105 H ALA 16 HN ALA 16 12.003 -5.294 -13.234 106 HA ALA 16 HA ALA 16 9.228 -4.803 -13.647 107 1HB ALA 16 HB1 ALA 16 10.957 -7.116 -14.521 108 2HB ALA 16 HB2 ALA 16 10.635 -5.648 -15.442 109 3HB ALA 16 HB3 ALA 16 9.326 -6.780 -15.104 110 H ASN 17 HN ASN 17 11.088 -6.960 -11.629 111 HA ASN 17 HA ASN 17 8.638 -8.354 -10.813 112 1HB ASN 17 HB2 ASN 17 11.279 -9.249 -11.300 113 2HB ASN 17 HB1 ASN 17 10.991 -9.434 -9.573 114 1HD2 ASN 17 HD21 ASN 17 8.461 -10.140 -9.337 115 2HD2 ASN 17 HD22 ASN 17 8.125 -11.608 -10.184 116 H LEU 18 HN LEU 18 10.256 -5.682 -9.919 117 HA LEU 18 HA LEU 18 9.609 -6.077 -7.077 118 1HB LEU 18 HB2 LEU 18 11.798 -4.277 -8.102 119 2HB LEU 18 HB1 LEU 18 11.465 -4.713 -6.436 120 HG LEU 18 HG LEU 18 11.954 -7.159 -7.362 121 1HD1 LEU 18 HD11 LEU 18 14.126 -6.495 -8.877 122 2HD1 LEU 18 HD12 LEU 18 12.910 -5.360 -9.452 123 3HD1 LEU 18 HD13 LEU 18 12.589 -7.090 -9.505 124 1HD2 LEU 18 HD21 LEU 18 13.129 -5.722 -5.580 125 2HD2 LEU 18 HD22 LEU 18 14.291 -5.353 -6.855 126 3HD2 LEU 18 HD23 LEU 18 14.046 -7.023 -6.344 127 H THR 19 HN THR 19 7.806 -5.116 -9.033 128 HA THR 19 HA THR 19 7.755 -2.232 -8.818 129 HB THR 19 HB THR 19 5.737 -4.127 -10.029 130 HG1 THR 19 HG1 THR 19 6.833 -3.954 -11.845 131 1HG2 THR 19 HG21 THR 19 4.678 -2.348 -11.028 132 2HG2 THR 19 HG22 THR 19 6.053 -1.266 -10.803 133 3HG2 THR 19 HG23 THR 19 5.042 -1.707 -9.425 134 HA PRO 20 HA PRO 20 3.818 -3.331 -6.227 135 1HB PRO 20 HB2 PRO 20 3.741 -5.807 -5.100 136 2HB PRO 20 HB1 PRO 20 3.008 -5.429 -6.662 137 1HG PRO 20 HG2 PRO 20 5.622 -6.744 -6.064 138 2HG PRO 20 HG1 PRO 20 4.426 -7.142 -7.309 139 1HD PRO 20 HD2 PRO 20 6.691 -5.762 -7.830 140 2HD PRO 20 HD1 PRO 20 5.189 -5.514 -8.741 141 H GLU 21 HN GLU 21 6.781 -5.039 -5.241 142 HA GLU 21 HA GLU 21 6.487 -4.509 -2.475 143 1HB GLU 21 HB2 GLU 21 7.934 -6.301 -3.299 144 2HB GLU 21 HB1 GLU 21 8.982 -5.118 -4.072 145 1HG GLU 21 HG2 GLU 21 9.364 -4.148 -1.770 146 2HG GLU 21 HG1 GLU 21 8.568 -5.587 -1.136 147 H GLN 22 HN GLN 22 8.409 -2.915 -5.013 148 HA GLN 22 HA GLN 22 9.462 -0.906 -3.303 149 1HB GLN 22 HB2 GLN 22 9.115 -0.845 -6.305 150 2HB GLN 22 HB1 GLN 22 10.157 0.215 -5.366 151 1HG GLN 22 HG2 GLN 22 10.484 -2.763 -5.387 152 2HG GLN 22 HG1 GLN 22 11.253 -1.716 -6.576 153 1HE2 GLN 22 HE21 GLN 22 12.729 -3.336 -4.946 154 2HE2 GLN 22 HE22 GLN 22 13.623 -2.374 -3.822 155 H GLN 23 HN GLN 23 6.914 -0.794 -5.789 156 HA GLN 23 HA GLN 23 6.074 1.811 -5.391 157 1HB GLN 23 HB2 GLN 23 5.312 0.287 -7.224 158 2HB GLN 23 HB1 GLN 23 4.267 -0.517 -6.059 159 1HG GLN 23 HG2 GLN 23 2.863 0.969 -7.168 160 2HG GLN 23 HG1 GLN 23 3.242 1.781 -5.649 161 1HE2 GLN 23 HE21 GLN 23 3.940 1.666 -9.080 162 2HE2 GLN 23 HE22 GLN 23 4.539 3.282 -9.207 163 H LYS 24 HN LYS 24 5.076 -1.133 -3.668 164 HA LYS 24 HA LYS 24 3.067 0.074 -2.119 165 1HB LYS 24 HB2 LYS 24 4.651 -2.431 -1.941 166 2HB LYS 24 HB1 LYS 24 3.833 -1.894 -0.483 167 1HG LYS 24 HG2 LYS 24 2.332 -2.066 -3.057 168 2HG LYS 24 HG1 LYS 24 2.634 -3.515 -2.099 169 1HD LYS 24 HD2 LYS 24 0.590 -2.818 -1.293 170 2HD LYS 24 HD1 LYS 24 1.703 -2.103 -0.130 171 1HE LYS 24 HE2 LYS 24 1.198 -0.366 -2.411 172 2HE LYS 24 HE1 LYS 24 -0.278 -0.782 -1.544 173 1HZ LYS 24 HZ1 LYS 24 2.053 0.735 -0.613 174 2HZ LYS 24 HZ2 LYS 24 1.182 -0.169 0.518 175 3HZ LYS 24 HZ3 LYS 24 0.407 1.037 -0.377 176 H ASN 25 HN ASN 25 6.480 -0.584 -1.353 177 HA ASN 25 HA ASN 25 6.548 0.376 1.228 178 1HB ASN 25 HB2 ASN 25 8.420 -0.539 -0.568 179 2HB ASN 25 HB1 ASN 25 8.916 1.132 -0.324 180 1HD2 ASN 25 HD21 ASN 25 10.790 0.493 0.743 181 2HD2 ASN 25 HD22 ASN 25 10.762 -0.123 2.356 182 H VAL 26 HN VAL 26 7.219 2.249 -1.740 183 HA VAL 26 HA VAL 26 7.609 4.710 -0.472 184 HB VAL 26 HB VAL 26 8.097 4.114 -2.901 185 1HG1 VAL 26 HG11 VAL 26 6.389 4.713 -4.546 186 2HG1 VAL 26 HG12 VAL 26 5.221 4.925 -3.245 187 3HG1 VAL 26 HG13 VAL 26 5.909 3.335 -3.561 188 1HG2 VAL 26 HG21 VAL 26 7.299 6.585 -3.567 189 2HG2 VAL 26 HG22 VAL 26 8.687 6.263 -2.528 190 3HG2 VAL 26 HG23 VAL 26 7.129 6.678 -1.814 191 H LEU 27 HN LEU 27 4.664 3.315 -1.869 192 HA LEU 27 HA LEU 27 2.959 5.476 -1.361 193 1HB LEU 27 HB2 LEU 27 2.281 2.534 -1.390 194 2HB LEU 27 HB1 LEU 27 1.119 3.841 -1.483 195 HG LEU 27 HG LEU 27 3.198 3.151 -3.552 196 1HD1 LEU 27 HD11 LEU 27 0.583 3.180 -4.590 197 2HD1 LEU 27 HD12 LEU 27 0.529 2.249 -3.094 198 3HD1 LEU 27 HD13 LEU 27 1.654 1.795 -4.373 199 1HD2 LEU 27 HD21 LEU 27 1.896 5.634 -3.025 200 2HD2 LEU 27 HD22 LEU 27 1.317 4.979 -4.557 201 3HD2 LEU 27 HD23 LEU 27 3.043 5.226 -4.298 202 H GLY 28 HN GLY 28 3.576 2.566 0.593 203 1HA GLY 28 HA2 GLY 28 1.881 3.223 2.722 204 2HA GLY 28 HA1 GLY 28 3.257 2.141 2.823 205 H GLU 29 HN GLU 29 5.348 3.874 2.311 206 HA GLU 29 HA GLU 29 5.815 5.000 4.817 207 1HB GLU 29 HB2 GLU 29 7.105 5.484 2.133 208 2HB GLU 29 HB1 GLU 29 7.685 6.246 3.608 209 1HG GLU 29 HG2 GLU 29 7.398 3.273 3.359 210 2HG GLU 29 HG1 GLU 29 8.854 4.126 2.848 211 H ARG 30 HN ARG 30 5.078 6.671 1.758 212 HA ARG 30 HA ARG 30 4.838 9.231 2.953 213 1HB ARG 30 HB2 ARG 30 4.026 8.106 0.284 214 2HB ARG 30 HB1 ARG 30 3.650 9.762 0.733 215 1HG ARG 30 HG2 ARG 30 6.266 9.739 1.298 216 2HG ARG 30 HG1 ARG 30 6.228 8.530 0.013 217 1HD ARG 30 HD2 ARG 30 5.077 11.311 -0.179 218 2HD ARG 30 HD1 ARG 30 6.638 10.815 -0.829 219 HE ARG 30 HE ARG 30 4.360 9.288 -1.757 220 1HH1 ARG 30 HH11 ARG 30 6.500 11.983 -2.348 221 2HH1 ARG 30 HH12 ARG 30 6.165 12.037 -4.045 222 1HH2 ARG 30 HH21 ARG 30 3.917 9.361 -3.990 223 2HH2 ARG 30 HH22 ARG 30 4.701 10.551 -4.977 224 H LEU 31 HN LEU 31 2.633 6.584 2.596 225 HA LEU 31 HA LEU 31 0.248 8.104 2.803 226 1HB LEU 31 HB2 LEU 31 -0.241 6.121 1.832 227 2HB LEU 31 HB1 LEU 31 1.049 5.279 2.663 228 HG LEU 31 HG LEU 31 -1.148 6.010 4.423 229 1HD1 LEU 31 HD11 LEU 31 -2.728 5.568 2.825 230 2HD1 LEU 31 HD12 LEU 31 -2.426 3.938 3.414 231 3HD1 LEU 31 HD13 LEU 31 -1.667 4.491 1.923 232 1HD2 LEU 31 HD21 LEU 31 0.518 4.525 5.215 233 2HD2 LEU 31 HD22 LEU 31 0.378 3.505 3.788 234 3HD2 LEU 31 HD23 LEU 31 -0.934 3.569 4.960 235 H TYR 32 HN TYR 32 1.791 5.835 5.090 236 HA TYR 32 HA TYR 32 0.278 6.237 7.318 237 1HB TYR 32 HB2 TYR 32 2.187 4.644 7.085 238 2HB TYR 32 HB1 TYR 32 3.303 5.989 7.260 239 HD1 TYR 32 HD1 TYR 32 1.708 3.372 8.938 240 HD2 TYR 32 HD2 TYR 32 2.953 7.397 9.491 241 HE1 TYR 32 HE1 TYR 32 1.741 3.018 11.369 242 HE2 TYR 32 HE2 TYR 32 2.992 7.055 11.926 243 HH TYR 32 HH TYR 32 1.712 4.195 13.409 244 H ASN 33 HN ASN 33 2.615 8.426 5.942 245 HA ASN 33 HA ASN 33 2.881 10.161 8.175 246 1HB ASN 33 HB2 ASN 33 4.606 10.324 6.600 247 2HB ASN 33 HB1 ASN 33 3.491 10.347 5.240 248 1HD2 ASN 33 HD21 ASN 33 2.025 12.311 5.174 249 2HD2 ASN 33 HD22 ASN 33 2.770 13.829 5.544 250 H HIS 34 HN HIS 34 0.686 10.057 5.428 251 HA HIS 34 HA HIS 34 -0.407 12.622 5.730 252 1HB HIS 34 HB2 HIS 34 -2.141 11.909 4.295 253 2HB HIS 34 HB1 HIS 34 -0.716 11.037 3.759 254 HD1 HIS 34 HD1 HIS 34 -1.406 8.732 3.098 255 HD2 HIS 34 HD2 HIS 34 -3.530 10.102 6.368 256 HE1 HIS 34 HE1 HIS 34 -2.903 6.830 3.791 257 HE2 HIS 34 HE2 HIS 34 -4.120 7.662 5.817 258 H ILE 35 HN ILE 35 -1.238 9.545 7.124 259 HA ILE 35 HA ILE 35 -3.401 10.727 8.670 260 HB ILE 35 HB ILE 35 -4.038 8.696 7.639 261 1HG1 ILE 35 HG12 ILE 35 -3.470 7.795 10.447 262 2HG1 ILE 35 HG11 ILE 35 -4.618 9.091 10.119 263 1HG2 ILE 35 HG21 ILE 35 -1.669 7.869 7.363 264 2HG2 ILE 35 HG22 ILE 35 -2.887 6.649 7.722 265 3HG2 ILE 35 HG23 ILE 35 -1.811 7.221 8.990 266 1HD1 ILE 35 HD11 ILE 35 -6.167 7.554 9.796 267 2HD1 ILE 35 HD12 ILE 35 -4.977 6.265 9.941 268 3HD1 ILE 35 HD13 ILE 35 -5.283 7.006 8.374 269 H VAL 36 HN VAL 36 -0.154 9.436 9.254 270 HA VAL 36 HA VAL 36 -0.322 8.835 11.937 271 HB VAL 36 HB VAL 36 1.769 8.549 10.690 272 1HG1 VAL 36 HG11 VAL 36 2.241 11.498 11.012 273 2HG1 VAL 36 HG12 VAL 36 1.628 10.772 9.528 274 3HG1 VAL 36 HG13 VAL 36 3.222 10.328 10.134 275 1HG2 VAL 36 HG21 VAL 36 1.879 8.497 13.104 276 2HG2 VAL 36 HG22 VAL 36 2.025 10.254 13.165 277 3HG2 VAL 36 HG23 VAL 36 3.324 9.286 12.468 278 H ALA 37 HN ALA 37 0.260 12.049 10.531 279 HA ALA 37 HA ALA 37 0.205 13.368 13.063 280 1HB ALA 37 HB1 ALA 37 -0.094 15.427 11.500 281 2HB ALA 37 HB2 ALA 37 0.258 14.270 10.217 282 3HB ALA 37 HB3 ALA 37 1.431 14.544 11.504 283 H ILE 38 HN ILE 38 -2.161 12.488 10.681 284 HA ILE 38 HA ILE 38 -4.190 14.231 11.829 285 HB ILE 38 HB ILE 38 -4.278 12.280 9.533 286 1HG1 ILE 38 HG12 ILE 38 -4.591 14.247 8.175 287 2HG1 ILE 38 HG11 ILE 38 -4.765 15.265 9.598 288 1HG2 ILE 38 HG21 ILE 38 -6.508 13.632 10.972 289 2HG2 ILE 38 HG22 ILE 38 -6.446 12.026 10.246 290 3HG2 ILE 38 HG23 ILE 38 -6.611 13.453 9.221 291 1HD1 ILE 38 HD11 ILE 38 -2.226 13.769 9.216 292 2HD1 ILE 38 HD12 ILE 38 -2.518 15.321 9.997 293 3HD1 ILE 38 HD13 ILE 38 -2.534 15.200 8.238 294 H ASN 39 HN ASN 39 -4.114 10.708 11.182 295 HA ASN 39 HA ASN 39 -5.577 10.332 13.713 296 1HB ASN 39 HB2 ASN 39 -6.518 9.756 11.142 297 2HB ASN 39 HB1 ASN 39 -6.060 8.196 11.817 298 1HD2 ASN 39 HD21 ASN 39 -7.736 7.215 12.669 299 2HD2 ASN 39 HD22 ASN 39 -8.996 7.963 13.583 300 HA PRO 40 HA PRO 40 -1.470 8.159 14.010 301 1HB PRO 40 HB2 PRO 40 -2.283 8.469 16.852 302 2HB PRO 40 HB1 PRO 40 -0.715 8.755 16.093 303 1HG PRO 40 HG2 PRO 40 -2.302 10.780 16.819 304 2HG PRO 40 HG1 PRO 40 -1.305 10.860 15.356 305 1HD PRO 40 HD2 PRO 40 -4.239 10.450 15.634 306 2HD PRO 40 HD1 PRO 40 -3.327 11.260 14.346 307 H ALA 41 HN ALA 41 -4.502 7.606 15.774 308 HA ALA 41 HA ALA 41 -3.826 4.832 16.262 309 1HB ALA 41 HB1 ALA 41 -5.456 4.845 17.817 310 2HB ALA 41 HB2 ALA 41 -6.570 5.762 16.805 311 3HB ALA 41 HB3 ALA 41 -5.282 6.594 17.675 312 H ALA 42 HN ALA 42 -3.856 5.295 13.553 313 HA ALA 42 HA ALA 42 -5.821 3.388 12.691 314 1HB ALA 42 HB1 ALA 42 -6.126 6.265 12.029 315 2HB ALA 42 HB2 ALA 42 -7.354 5.026 12.284 316 3HB ALA 42 HB3 ALA 42 -6.463 5.085 10.764 317 H ALA 43 HN ALA 43 -3.310 5.711 11.881 318 HA ALA 43 HA ALA 43 -2.497 5.092 9.383 319 1HB ALA 43 HB1 ALA 43 -0.184 5.084 11.107 320 2HB ALA 43 HB2 ALA 43 -1.344 6.305 11.620 321 3HB ALA 43 HB3 ALA 43 -0.728 6.313 9.971 322 H ALA 44 HN ALA 44 -1.432 3.313 12.292 323 HA ALA 44 HA ALA 44 0.073 1.358 11.106 324 1HB ALA 44 HB1 ALA 44 0.099 1.502 13.456 325 2HB ALA 44 HB2 ALA 44 -0.594 -0.075 13.086 326 3HB ALA 44 HB3 ALA 44 -1.644 1.256 13.567 327 H LYS 45 HN LYS 45 -3.415 1.547 11.363 328 HA LYS 45 HA LYS 45 -3.828 -1.112 10.306 329 1HB LYS 45 HB2 LYS 45 -5.778 1.140 10.831 330 2HB LYS 45 HB1 LYS 45 -6.224 -0.499 10.378 331 1HG LYS 45 HG2 LYS 45 -4.543 -0.724 12.618 332 2HG LYS 45 HG1 LYS 45 -5.680 0.580 12.967 333 1HD LYS 45 HD2 LYS 45 -6.852 -1.266 13.702 334 2HD LYS 45 HD1 LYS 45 -7.453 -1.103 12.051 335 1HE LYS 45 HE2 LYS 45 -6.075 -2.861 11.277 336 2HE LYS 45 HE1 LYS 45 -5.124 -2.868 12.761 337 1HZ LYS 45 HZ1 LYS 45 -7.777 -3.316 13.477 338 2HZ LYS 45 HZ2 LYS 45 -6.486 -4.406 13.546 339 3HZ LYS 45 HZ3 LYS 45 -7.453 -4.329 12.160 340 H VAL 46 HN VAL 46 -4.174 2.222 9.223 341 HA VAL 46 HA VAL 46 -5.236 1.657 6.672 342 HB VAL 46 HB VAL 46 -3.670 4.079 7.581 343 1HG1 VAL 46 HG11 VAL 46 -5.735 4.147 5.445 344 2HG1 VAL 46 HG12 VAL 46 -4.116 3.585 5.043 345 3HG1 VAL 46 HG13 VAL 46 -4.349 5.205 5.699 346 1HG2 VAL 46 HG21 VAL 46 -6.638 3.534 7.594 347 2HG2 VAL 46 HG22 VAL 46 -5.886 5.085 7.966 348 3HG2 VAL 46 HG23 VAL 46 -5.592 3.691 9.005 349 H THR 47 HN THR 47 -1.937 1.966 7.858 350 HA THR 47 HA THR 47 -0.741 1.969 5.265 351 HB THR 47 HB THR 47 0.531 1.401 7.943 352 HG1 THR 47 HG1 THR 47 -0.622 3.436 7.777 353 1HG2 THR 47 HG21 THR 47 1.991 2.837 5.832 354 2HG2 THR 47 HG22 THR 47 1.751 1.108 5.581 355 3HG2 THR 47 HG23 THR 47 2.565 1.684 7.035 356 H GLY 48 HN GLY 48 -0.792 -0.466 7.869 357 1HA GLY 48 HA2 GLY 48 0.472 -2.463 6.326 358 2HA GLY 48 HA1 GLY 48 -0.455 -2.740 7.794 359 H MET 49 HN MET 49 -2.931 -2.095 7.231 360 HA MET 49 HA MET 49 -3.821 -4.213 5.551 361 1HB MET 49 HB2 MET 49 -5.516 -1.939 6.581 362 2HB MET 49 HB1 MET 49 -6.038 -3.561 6.150 363 1HG MET 49 HG2 MET 49 -4.395 -2.736 8.526 364 2HG MET 49 HG1 MET 49 -6.029 -3.398 8.518 365 1HE MET 49 HE1 MET 49 -2.428 -5.416 9.478 366 2HE MET 49 HE2 MET 49 -2.673 -3.715 9.083 367 3HE MET 49 HE3 MET 49 -2.044 -4.822 7.863 368 H LEU 50 HN LEU 50 -4.028 -0.683 5.323 369 HA LEU 50 HA LEU 50 -4.928 0.602 3.590 370 1HB LEU 50 HB2 LEU 50 -2.400 0.552 3.553 371 2HB LEU 50 HB1 LEU 50 -2.536 -0.561 2.209 372 HG LEU 50 HG LEU 50 -3.507 1.063 0.808 373 1HD1 LEU 50 HD11 LEU 50 -5.101 2.046 2.334 374 2HD1 LEU 50 HD12 LEU 50 -4.146 3.313 1.571 375 3HD1 LEU 50 HD13 LEU 50 -3.803 2.828 3.229 376 1HD2 LEU 50 HD21 LEU 50 -1.383 2.449 2.435 377 2HD2 LEU 50 HD22 LEU 50 -1.846 2.837 0.779 378 3HD2 LEU 50 HD23 LEU 50 -1.088 1.287 1.144 379 H LEU 51 HN LEU 51 -3.606 -2.209 1.807 380 HA LEU 51 HA LEU 51 -5.511 -1.936 -0.273 381 1HB LEU 51 HB2 LEU 51 -3.593 -4.133 0.460 382 2HB LEU 51 HB1 LEU 51 -4.643 -4.223 -0.942 383 HG LEU 51 HG LEU 51 -3.463 -1.809 -1.351 384 1HD1 LEU 51 HD11 LEU 51 -1.892 -3.081 0.647 385 2HD1 LEU 51 HD12 LEU 51 -1.603 -1.552 -0.180 386 3HD1 LEU 51 HD13 LEU 51 -0.973 -3.051 -0.854 387 1HD2 LEU 51 HD21 LEU 51 -1.742 -3.735 -2.501 388 2HD2 LEU 51 HD22 LEU 51 -3.095 -2.891 -3.253 389 3HD2 LEU 51 HD23 LEU 51 -3.358 -4.440 -2.451 390 H GLU 52 HN GLU 52 -7.404 -1.864 1.241 391 HA GLU 52 HA GLU 52 -8.263 -4.488 2.176 392 1HB GLU 52 HB2 GLU 52 -9.141 -1.674 2.658 393 2HB GLU 52 HB1 GLU 52 -10.310 -2.968 2.890 394 1HG GLU 52 HG2 GLU 52 -7.668 -2.639 4.291 395 2HG GLU 52 HG1 GLU 52 -9.276 -2.448 4.987 396 H MET 53 HN MET 53 -10.762 -4.816 1.838 397 HA MET 53 HA MET 53 -11.145 -5.388 -0.869 398 1HB MET 53 HB2 MET 53 -12.952 -5.309 1.517 399 2HB MET 53 HB1 MET 53 -13.628 -5.593 -0.082 400 1HG MET 53 HG2 MET 53 -11.437 -7.234 1.168 401 2HG MET 53 HG1 MET 53 -13.148 -7.660 1.179 402 1HE MET 53 HE1 MET 53 -13.969 -7.340 -2.434 403 2HE MET 53 HE2 MET 53 -14.518 -7.528 -0.768 404 3HE MET 53 HE3 MET 53 -14.189 -8.953 -1.756 405 H ASP 54 HN ASP 54 -12.955 -2.978 1.061 406 HA ASP 54 HA ASP 54 -13.676 -1.616 -1.427 407 1HB ASP 54 HB2 ASP 54 -15.505 -2.054 0.099 408 2HB ASP 54 HB1 ASP 54 -14.655 -1.247 1.413 409 H ASN 55 HN ASN 55 -12.799 -0.505 1.831 410 HA ASN 55 HA ASN 55 -11.925 2.002 1.322 411 1HB ASN 55 HB2 ASN 55 -11.961 1.100 3.571 412 2HB ASN 55 HB1 ASN 55 -10.684 -0.043 3.173 413 1HD2 ASN 55 HD21 ASN 55 -10.556 3.217 1.988 414 2HD2 ASN 55 HD22 ASN 55 -9.300 3.755 3.036 415 H GLY 56 HN GLY 56 -10.285 -0.979 0.534 416 1HA GLY 56 HA2 GLY 56 -7.764 0.193 -0.071 417 2HA GLY 56 HA1 GLY 56 -8.296 -1.416 -0.525 418 H GLU 57 HN GLU 57 -10.260 -1.177 -2.252 419 HA GLU 57 HA GLU 57 -9.289 -0.736 -4.680 420 1HB GLU 57 HB2 GLU 57 -12.030 0.237 -3.892 421 2HB GLU 57 HB1 GLU 57 -11.496 -0.203 -5.507 422 1HG GLU 57 HG2 GLU 57 -11.045 -2.348 -3.626 423 2HG GLU 57 HG1 GLU 57 -12.736 -1.848 -3.650 424 H ILE 58 HN ILE 58 -10.895 1.925 -2.920 425 HA ILE 58 HA ILE 58 -10.407 3.932 -4.782 426 HB ILE 58 HB ILE 58 -10.561 4.195 -1.776 427 1HG1 ILE 58 HG12 ILE 58 -12.942 5.079 -2.766 428 2HG1 ILE 58 HG11 ILE 58 -12.561 3.791 -3.905 429 1HG2 ILE 58 HG21 ILE 58 -10.412 6.190 -3.969 430 2HG2 ILE 58 HG22 ILE 58 -9.793 6.274 -2.319 431 3HG2 ILE 58 HG23 ILE 58 -11.510 6.527 -2.630 432 1HD1 ILE 58 HD11 ILE 58 -12.110 2.953 -1.182 433 2HD1 ILE 58 HD12 ILE 58 -13.118 2.230 -2.436 434 3HD1 ILE 58 HD13 ILE 58 -13.759 3.527 -1.424 435 H LEU 59 HN LEU 59 -8.429 2.824 -2.073 436 HA LEU 59 HA LEU 59 -6.439 4.584 -1.857 437 1HB LEU 59 HB2 LEU 59 -5.185 2.942 -0.910 438 2HB LEU 59 HB1 LEU 59 -6.750 2.160 -0.909 439 HG LEU 59 HG LEU 59 -6.030 1.059 -3.112 440 1HD1 LEU 59 HD11 LEU 59 -4.096 1.758 -3.975 441 2HD1 LEU 59 HD12 LEU 59 -3.287 0.923 -2.648 442 3HD1 LEU 59 HD13 LEU 59 -3.677 2.637 -2.504 443 1HD2 LEU 59 HD21 LEU 59 -5.919 0.240 -0.549 444 2HD2 LEU 59 HD22 LEU 59 -4.222 0.083 -0.995 445 3HD2 LEU 59 HD23 LEU 59 -5.457 -0.770 -1.918 446 H ASN 60 HN ASN 60 -6.886 2.441 -4.593 447 HA ASN 60 HA ASN 60 -4.497 2.559 -5.900 448 1HB ASN 60 HB2 ASN 60 -6.793 1.522 -6.602 449 2HB ASN 60 HB1 ASN 60 -6.994 3.033 -7.483 450 1HD2 ASN 60 HD21 ASN 60 -6.682 0.279 -8.441 451 2HD2 ASN 60 HD22 ASN 60 -5.324 0.307 -9.507 452 H LEU 61 HN LEU 61 -6.742 5.184 -5.444 453 HA LEU 61 HA LEU 61 -5.064 6.902 -7.148 454 1HB LEU 61 HB2 LEU 61 -7.947 7.182 -6.317 455 2HB LEU 61 HB1 LEU 61 -7.050 8.439 -7.143 456 HG LEU 61 HG LEU 61 -6.824 5.978 -8.607 457 1HD1 LEU 61 HD11 LEU 61 -9.663 6.901 -8.410 458 2HD1 LEU 61 HD12 LEU 61 -9.041 5.652 -7.332 459 3HD1 LEU 61 HD13 LEU 61 -9.019 5.400 -9.079 460 1HD2 LEU 61 HD21 LEU 61 -6.707 7.540 -10.181 461 2HD2 LEU 61 HD22 LEU 61 -7.246 8.774 -9.042 462 3HD2 LEU 61 HD23 LEU 61 -8.429 7.854 -9.972 463 H LEU 62 HN LEU 62 -3.887 6.519 -4.824 464 HA LEU 62 HA LEU 62 -4.328 7.622 -2.486 465 1HB LEU 62 HB2 LEU 62 -1.914 8.069 -4.205 466 2HB LEU 62 HB1 LEU 62 -1.971 8.605 -2.537 467 HG LEU 62 HG LEU 62 -2.655 5.776 -3.031 468 1HD1 LEU 62 HD11 LEU 62 0.226 6.581 -3.068 469 2HD1 LEU 62 HD12 LEU 62 -0.700 6.372 -4.555 470 3HD1 LEU 62 HD13 LEU 62 -0.491 5.016 -3.447 471 1HD2 LEU 62 HD21 LEU 62 -2.005 7.387 -0.843 472 2HD2 LEU 62 HD22 LEU 62 -0.620 6.320 -1.068 473 3HD2 LEU 62 HD23 LEU 62 -2.232 5.640 -0.852 474 H ASP 63 HN ASP 63 -5.945 9.176 -2.472 475 HA ASP 63 HA ASP 63 -5.216 11.841 -3.479 476 1HB ASP 63 HB2 ASP 63 -7.629 10.328 -3.614 477 2HB ASP 63 HB1 ASP 63 -7.940 11.766 -2.651 478 H THR 64 HN THR 64 -6.191 13.690 -2.142 479 HA THR 64 HA THR 64 -5.204 13.374 0.541 480 HB THR 64 HB THR 64 -6.609 15.794 -0.589 481 HG1 THR 64 HG1 THR 64 -4.846 15.219 -1.911 482 1HG2 THR 64 HG21 THR 64 -5.744 17.021 1.114 483 2HG2 THR 64 HG22 THR 64 -4.368 15.942 1.341 484 3HG2 THR 64 HG23 THR 64 -5.961 15.482 1.945 485 HA PRO 65 HA PRO 65 -9.799 14.006 1.666 486 1HB PRO 65 HB2 PRO 65 -11.671 13.846 -0.295 487 2HB PRO 65 HB1 PRO 65 -10.903 15.361 0.191 488 1HG PRO 65 HG2 PRO 65 -10.426 13.678 -2.205 489 2HG PRO 65 HG1 PRO 65 -10.279 15.431 -2.008 490 1HD PRO 65 HD2 PRO 65 -8.172 13.607 -2.036 491 2HD PRO 65 HD1 PRO 65 -8.096 15.275 -1.449 492 H GLY 66 HN GLY 66 -10.210 12.049 -1.287 493 1HA GLY 66 HA2 GLY 66 -11.712 10.013 -0.275 494 2HA GLY 66 HA1 GLY 66 -10.551 9.795 -1.575 495 H LEU 67 HN LEU 67 -8.142 9.877 -0.535 496 HA LEU 67 HA LEU 67 -7.851 7.453 0.790 497 1HB LEU 67 HB2 LEU 67 -6.185 9.492 -0.235 498 2HB LEU 67 HB1 LEU 67 -5.634 9.147 1.390 499 HG LEU 67 HG LEU 67 -4.564 7.886 -0.583 500 1HD1 LEU 67 HD11 LEU 67 -4.134 5.987 0.773 501 2HD1 LEU 67 HD12 LEU 67 -5.640 6.203 1.660 502 3HD1 LEU 67 HD13 LEU 67 -4.329 7.363 1.856 503 1HD2 LEU 67 HD21 LEU 67 -6.525 5.759 -0.368 504 2HD2 LEU 67 HD22 LEU 67 -5.770 6.453 -1.799 505 3HD2 LEU 67 HD23 LEU 67 -7.199 7.212 -1.102 506 H LEU 68 HN LEU 68 -6.924 10.583 2.212 507 HA LEU 68 HA LEU 68 -6.681 9.791 4.819 508 1HB LEU 68 HB2 LEU 68 -7.292 12.354 3.509 509 2HB LEU 68 HB1 LEU 68 -7.706 12.264 5.204 510 HG LEU 68 HG LEU 68 -5.299 11.447 5.560 511 1HD1 LEU 68 HD11 LEU 68 -5.300 11.762 2.728 512 2HD1 LEU 68 HD12 LEU 68 -3.999 11.212 3.782 513 3HD1 LEU 68 HD13 LEU 68 -4.179 12.929 3.429 514 1HD2 LEU 68 HD21 LEU 68 -6.447 13.830 5.851 515 2HD2 LEU 68 HD22 LEU 68 -5.261 14.254 4.619 516 3HD2 LEU 68 HD23 LEU 68 -4.729 13.563 6.151 517 H ASP 69 HN ASP 69 -9.691 10.403 3.102 518 HA ASP 69 HA ASP 69 -11.246 10.360 5.537 519 1HB ASP 69 HB2 ASP 69 -11.822 11.617 3.363 520 2HB ASP 69 HB1 ASP 69 -12.380 10.054 2.767 521 H ALA 70 HN ALA 70 -11.217 8.242 2.645 522 HA ALA 70 HA ALA 70 -12.711 6.198 3.862 523 1HB ALA 70 HB1 ALA 70 -12.720 5.510 1.756 524 2HB ALA 70 HB2 ALA 70 -11.047 4.992 1.941 525 3HB ALA 70 HB3 ALA 70 -11.405 6.611 1.352 526 H LYS 71 HN LYS 71 -9.449 7.137 4.325 527 HA LYS 71 HA LYS 71 -8.534 4.544 5.198 528 1HB LYS 71 HB2 LYS 71 -7.300 7.279 5.220 529 2HB LYS 71 HB1 LYS 71 -6.519 5.904 5.980 530 1HG LYS 71 HG2 LYS 71 -6.925 6.495 3.096 531 2HG LYS 71 HG1 LYS 71 -5.487 5.951 3.937 532 1HD LYS 71 HD2 LYS 71 -5.947 3.803 3.528 533 2HD LYS 71 HD1 LYS 71 -7.619 3.974 4.040 534 1HE LYS 71 HE2 LYS 71 -6.430 4.417 1.325 535 2HE LYS 71 HE1 LYS 71 -7.741 3.338 1.796 536 1HZ LYS 71 HZ1 LYS 71 -8.548 5.300 0.617 537 2HZ LYS 71 HZ2 LYS 71 -7.894 6.297 1.808 538 3HZ LYS 71 HZ3 LYS 71 -9.148 5.246 2.196 539 H VAL 72 HN VAL 72 -8.997 7.703 6.819 540 HA VAL 72 HA VAL 72 -8.538 6.822 9.430 541 HB VAL 72 HB VAL 72 -10.003 8.738 10.150 542 1HG1 VAL 72 HG11 VAL 72 -8.174 9.870 8.119 543 2HG1 VAL 72 HG12 VAL 72 -7.480 8.776 9.313 544 3HG1 VAL 72 HG13 VAL 72 -8.328 10.230 9.838 545 1HG2 VAL 72 HG21 VAL 72 -10.511 8.810 7.216 546 2HG2 VAL 72 HG22 VAL 72 -10.486 10.321 8.122 547 3HG2 VAL 72 HG23 VAL 72 -11.627 9.051 8.559 548 H GLN 73 HN GLN 73 -11.568 7.023 7.608 549 HA GLN 73 HA GLN 73 -13.278 6.141 9.626 550 1HB GLN 73 HB2 GLN 73 -13.596 5.622 6.672 551 2HB GLN 73 HB1 GLN 73 -14.875 5.751 7.874 552 1HG GLN 73 HG2 GLN 73 -13.042 7.988 7.042 553 2HG GLN 73 HG1 GLN 73 -14.684 7.743 6.447 554 1HE2 GLN 73 HE21 GLN 73 -14.604 10.046 7.363 555 2HE2 GLN 73 HE22 GLN 73 -15.139 10.216 8.997 556 H GLU 74 HN GLU 74 -11.831 4.267 6.948 557 HA GLU 74 HA GLU 74 -12.796 1.770 7.660 558 1HB GLU 74 HB2 GLU 74 -11.679 2.163 5.543 559 2HB GLU 74 HB1 GLU 74 -10.157 2.467 6.370 560 1HG GLU 74 HG2 GLU 74 -11.256 -0.103 7.096 561 2HG GLU 74 HG1 GLU 74 -11.058 0.047 5.350 562 H ALA 75 HN ALA 75 -9.800 3.353 8.690 563 HA ALA 75 HA ALA 75 -8.889 1.184 10.277 564 1HB ALA 75 HB1 ALA 75 -7.302 2.765 9.458 565 2HB ALA 75 HB2 ALA 75 -7.313 2.871 11.218 566 3HB ALA 75 HB3 ALA 75 -8.134 4.098 10.256 567 H LEU 76 HN LEU 76 -10.537 4.235 11.083 568 HA LEU 76 HA LEU 76 -10.604 3.801 13.869 569 1HB LEU 76 HB2 LEU 76 -12.021 5.588 11.961 570 2HB LEU 76 HB1 LEU 76 -12.713 5.397 13.555 571 HG LEU 76 HG LEU 76 -9.949 6.406 12.917 572 1HD1 LEU 76 HD11 LEU 76 -11.593 8.186 14.447 573 2HD1 LEU 76 HD12 LEU 76 -12.439 7.717 12.971 574 3HD1 LEU 76 HD13 LEU 76 -10.835 8.442 12.876 575 1HD2 LEU 76 HD21 LEU 76 -10.889 5.153 15.271 576 2HD2 LEU 76 HD22 LEU 76 -10.752 6.877 15.615 577 3HD2 LEU 76 HD23 LEU 76 -9.355 5.984 15.014 578 H GLU 77 HN GLU 77 -12.814 2.937 11.264 579 HA GLU 77 HA GLU 77 -14.907 2.013 12.950 580 1HB GLU 77 HB2 GLU 77 -14.719 2.553 10.292 581 2HB GLU 77 HB1 GLU 77 -14.680 0.796 10.273 582 1HG GLU 77 HG2 GLU 77 -16.755 1.959 11.981 583 2HG GLU 77 HG1 GLU 77 -16.928 2.304 10.260 584 H VAL 78 HN VAL 78 -12.235 0.386 11.262 585 HA VAL 78 HA VAL 78 -12.986 -2.230 12.059 586 HB VAL 78 HB VAL 78 -11.451 -1.796 10.167 587 1HG1 VAL 78 HG11 VAL 78 -10.107 -0.023 11.061 588 2HG1 VAL 78 HG12 VAL 78 -9.055 -1.387 10.685 589 3HG1 VAL 78 HG13 VAL 78 -9.514 -1.061 12.357 590 1HG2 VAL 78 HG21 VAL 78 -9.868 -3.473 12.040 591 2HG2 VAL 78 HG22 VAL 78 -10.398 -3.806 10.392 592 3HG2 VAL 78 HG23 VAL 78 -11.542 -3.937 11.728 593 H LEU 79 HN LEU 79 -11.708 0.351 13.823 594 HA LEU 79 HA LEU 79 -9.930 -0.808 15.596 595 1HB LEU 79 HB2 LEU 79 -10.333 1.573 15.552 596 2HB LEU 79 HB1 LEU 79 -11.994 1.342 16.061 597 HG LEU 79 HG LEU 79 -10.354 0.140 18.035 598 1HD1 LEU 79 HD11 LEU 79 -9.511 2.970 17.447 599 2HD1 LEU 79 HD12 LEU 79 -8.540 1.546 17.077 600 3HD1 LEU 79 HD13 LEU 79 -8.937 1.933 18.750 601 1HD2 LEU 79 HD21 LEU 79 -12.517 1.058 18.494 602 2HD2 LEU 79 HD22 LEU 79 -12.000 2.663 17.975 603 3HD2 LEU 79 HD23 LEU 79 -11.326 1.952 19.440 604 H ASN 80 HN ASN 80 -13.244 -0.050 16.628 605 HA ASN 80 HA ASN 80 -13.201 -2.259 18.484 606 1HB ASN 80 HB2 ASN 80 -14.681 0.193 18.185 607 2HB ASN 80 HB1 ASN 80 -15.802 -1.153 18.385 608 1HD2 ASN 80 HD21 ASN 80 -14.481 -2.814 20.046 609 2HD2 ASN 80 HD22 ASN 80 -14.208 -2.052 21.573 610 H ARG 81 HN ARG 81 -13.376 -2.590 15.409 611 HA ARG 81 HA ARG 81 -15.894 -3.836 14.935 612 1HB ARG 81 HB2 ARG 81 -13.478 -3.267 13.445 613 2HB ARG 81 HB1 ARG 81 -14.061 -4.886 13.101 614 1HG ARG 81 HG2 ARG 81 -16.217 -2.961 13.089 615 2HG ARG 81 HG1 ARG 81 -14.940 -2.519 11.955 616 1HD ARG 81 HD2 ARG 81 -16.551 -5.051 12.066 617 2HD ARG 81 HD1 ARG 81 -16.435 -3.888 10.745 618 HE ARG 81 HE ARG 81 -14.583 -6.020 11.369 619 1HH1 ARG 81 HH11 ARG 81 -15.083 -3.027 9.636 620 2HH1 ARG 81 HH12 ARG 81 -13.809 -3.329 8.504 621 1HH2 ARG 81 HH21 ARG 81 -12.910 -6.413 9.884 622 2HH2 ARG 81 HH22 ARG 81 -12.574 -5.252 8.644 623 H HIS 82 HN HIS 82 -13.885 -4.749 17.156 624 HA HIS 82 HA HIS 82 -13.248 -7.443 16.522 625 1HB HIS 82 HB2 HIS 82 -12.690 -5.588 18.598 626 2HB HIS 82 HB1 HIS 82 -13.419 -7.006 19.353 627 HD1 HIS 82 HD1 HIS 82 -12.149 -9.294 19.032 628 HD2 HIS 82 HD2 HIS 82 -10.105 -5.934 17.690 629 HE1 HIS 82 HE1 HIS 82 -9.766 -10.037 18.720 630 HE2 HIS 82 HE2 HIS 82 -8.530 -7.962 18.000 631 H MET 83 HN MET 83 -16.096 -5.843 17.529 632 HA MET 83 HA MET 83 -17.318 -8.052 18.879 633 1HB MET 83 HB2 MET 83 -17.846 -5.420 18.848 634 2HB MET 83 HB1 MET 83 -18.991 -5.940 17.621 635 1HG MET 83 HG2 MET 83 -20.385 -6.333 19.301 636 2HG MET 83 HG1 MET 83 -19.400 -7.756 19.634 637 1HE MET 83 HE1 MET 83 -21.065 -6.966 21.779 638 2HE MET 83 HE2 MET 83 -21.170 -5.211 21.637 639 3HE MET 83 HE3 MET 83 -20.431 -5.937 23.064 640 H ASN 84 HN ASN 84 -19.145 -9.268 18.079 641 HA ASN 84 HA ASN 84 -18.827 -9.960 15.274 642 1HB ASN 84 HB2 ASN 84 -19.031 -11.640 17.211 643 2HB ASN 84 HB1 ASN 84 -20.748 -11.256 17.197 644 1HD2 ASN 84 HD21 ASN 84 -19.691 -13.802 16.700 645 2HD2 ASN 84 HD22 ASN 84 -20.052 -14.229 15.068 646 H VAL 85 HN VAL 85 -20.062 -7.407 15.984 647 HA VAL 85 HA VAL 85 -22.681 -7.818 14.706 648 HB VAL 85 HB VAL 85 -22.107 -5.626 16.696 649 1HG1 VAL 85 HG11 VAL 85 -24.856 -6.428 16.414 650 2HG1 VAL 85 HG12 VAL 85 -24.167 -6.011 14.845 651 3HG1 VAL 85 HG13 VAL 85 -24.118 -4.847 16.167 652 1HG2 VAL 85 HG21 VAL 85 -22.698 -8.431 17.171 653 2HG2 VAL 85 HG22 VAL 85 -23.892 -7.356 17.901 654 3HG2 VAL 85 HG23 VAL 85 -22.184 -7.177 18.299 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 12.933 -12.760 -36.161 2 2H GLY 1 HT2 GLY 1 13.366 -11.752 -34.875 3 3H GLY 1 HT3 GLY 1 13.283 -11.129 -36.445 4 1HA GLY 1 HA1 GLY 1 11.194 -10.539 -36.099 5 2HA GLY 1 HA2 GLY 1 10.803 -12.246 -35.962 6 H SER 2 HN SER 2 11.739 -9.372 -34.160 7 HA SER 2 HA SER 2 11.049 -10.679 -31.642 8 1HB SER 2 HB2 SER 2 13.086 -9.048 -32.117 9 2HB SER 2 HB1 SER 2 11.879 -7.811 -31.773 10 HG SER 2 HG SER 2 12.296 -10.009 -30.049 11 H SER 3 HN SER 3 8.954 -10.707 -31.161 12 HA SER 3 HA SER 3 7.220 -8.532 -32.035 13 1HB SER 3 HB2 SER 3 6.755 -11.290 -30.949 14 2HB SER 3 HB1 SER 3 5.462 -10.095 -30.881 15 HG SER 3 HG SER 3 5.297 -11.227 -32.803 16 H LEU 4 HN LEU 4 8.590 -9.893 -29.120 17 HA LEU 4 HA LEU 4 6.984 -8.282 -27.351 18 1HB LEU 4 HB2 LEU 4 8.427 -9.180 -25.580 19 2HB LEU 4 HB1 LEU 4 7.765 -10.446 -26.595 20 HG LEU 4 HG LEU 4 10.183 -9.934 -27.804 21 1HD1 LEU 4 HD11 LEU 4 11.546 -10.289 -25.469 22 2HD1 LEU 4 HD12 LEU 4 10.330 -9.101 -25.006 23 3HD1 LEU 4 HD13 LEU 4 11.419 -8.767 -26.351 24 1HD2 LEU 4 HD21 LEU 4 10.511 -12.120 -27.416 25 2HD2 LEU 4 HD22 LEU 4 8.878 -12.070 -26.753 26 3HD2 LEU 4 HD23 LEU 4 10.271 -11.954 -25.677 27 H ALA 5 HN ALA 5 7.952 -6.497 -29.046 28 HA ALA 5 HA ALA 5 10.405 -5.354 -27.959 29 1HB ALA 5 HB1 ALA 5 9.454 -3.636 -29.925 30 2HB ALA 5 HB2 ALA 5 9.022 -5.247 -30.498 31 3HB ALA 5 HB3 ALA 5 10.700 -4.871 -30.112 32 H SER 6 HN SER 6 8.079 -5.397 -26.286 33 HA SER 6 HA SER 6 6.985 -2.725 -26.273 34 1HB SER 6 HB2 SER 6 6.361 -5.274 -25.027 35 2HB SER 6 HB1 SER 6 6.305 -3.956 -23.857 36 HG SER 6 HG SER 6 4.823 -4.278 -26.236 37 H GLN 7 HN GLN 7 9.722 -4.296 -24.985 38 HA GLN 7 HA GLN 7 10.039 -2.739 -22.618 39 1HB GLN 7 HB2 GLN 7 12.420 -3.592 -22.746 40 2HB GLN 7 HB1 GLN 7 11.167 -4.824 -22.675 41 1HG GLN 7 HG2 GLN 7 11.715 -5.656 -24.670 42 2HG GLN 7 HG1 GLN 7 11.882 -4.058 -25.395 43 1HE2 GLN 7 HE21 GLN 7 13.767 -4.401 -26.462 44 2HE2 GLN 7 HE22 GLN 7 15.274 -4.713 -25.679 45 H GLY 8 HN GLY 8 10.920 -0.779 -22.343 46 1HA GLY 8 HA2 GLY 8 11.529 0.814 -24.654 47 2HA GLY 8 HA1 GLY 8 11.593 1.339 -22.978 48 H GLN 9 HN GLN 9 13.529 1.542 -22.011 49 HA GLN 9 HA GLN 9 15.890 1.120 -23.619 50 1HB GLN 9 HB2 GLN 9 15.768 2.111 -20.772 51 2HB GLN 9 HB1 GLN 9 17.064 2.341 -21.935 52 1HG GLN 9 HG2 GLN 9 15.740 3.834 -23.234 53 2HG GLN 9 HG1 GLN 9 14.301 3.468 -22.283 54 1HE2 GLN 9 HE21 GLN 9 13.864 4.689 -20.568 55 2HE2 GLN 9 HE22 GLN 9 14.923 5.871 -19.886 56 H ASN 10 HN ASN 10 17.871 0.197 -22.452 57 HA ASN 10 HA ASN 10 17.357 -2.506 -21.858 58 1HB ASN 10 HB2 ASN 10 19.845 -0.826 -21.574 59 2HB ASN 10 HB1 ASN 10 19.814 -2.558 -21.257 60 1HD2 ASN 10 HD21 ASN 10 19.872 -3.956 -22.924 61 2HD2 ASN 10 HD22 ASN 10 19.960 -3.489 -24.586 62 H LEU 11 HN LEU 11 19.269 -0.452 -19.713 63 HA LEU 11 HA LEU 11 18.795 -1.875 -17.388 64 1HB LEU 11 HB2 LEU 11 19.529 0.996 -17.876 65 2HB LEU 11 HB1 LEU 11 19.348 0.368 -16.250 66 HG LEU 11 HG LEU 11 21.317 -0.605 -18.320 67 1HD1 LEU 11 HD11 LEU 11 21.545 1.646 -16.911 68 2HD1 LEU 11 HD12 LEU 11 22.922 0.617 -17.295 69 3HD1 LEU 11 HD13 LEU 11 22.154 0.507 -15.711 70 1HD2 LEU 11 HD21 LEU 11 22.213 -1.957 -16.434 71 2HD2 LEU 11 HD22 LEU 11 20.619 -2.468 -16.984 72 3HD2 LEU 11 HD23 LEU 11 20.779 -1.526 -15.503 73 H SER 12 HN SER 12 16.647 0.254 -19.035 74 HA SER 12 HA SER 12 15.087 1.065 -16.807 75 1HB SER 12 HB2 SER 12 15.030 2.278 -18.945 76 2HB SER 12 HB1 SER 12 14.308 0.874 -19.728 77 HG SER 12 HG SER 12 12.591 1.129 -18.080 78 H THR 13 HN THR 13 15.141 -1.793 -18.801 79 HA THR 13 HA THR 13 12.641 -2.722 -17.582 80 HB THR 13 HB THR 13 14.187 -4.076 -19.788 81 HG1 THR 13 HG1 THR 13 13.564 -2.480 -20.981 82 1HG2 THR 13 HG21 THR 13 12.665 -5.652 -19.268 83 2HG2 THR 13 HG22 THR 13 11.632 -4.646 -20.282 84 3HG2 THR 13 HG23 THR 13 11.556 -4.500 -18.525 85 H VAL 14 HN VAL 14 16.001 -3.038 -17.258 86 HA VAL 14 HA VAL 14 16.218 -5.731 -16.466 87 HB VAL 14 HB VAL 14 17.910 -3.363 -15.642 88 1HG1 VAL 14 HG11 VAL 14 19.092 -6.055 -15.735 89 2HG1 VAL 14 HG12 VAL 14 17.946 -5.780 -14.426 90 3HG1 VAL 14 HG13 VAL 14 19.355 -4.735 -14.597 91 1HG2 VAL 14 HG21 VAL 14 17.695 -3.858 -18.102 92 2HG2 VAL 14 HG22 VAL 14 18.465 -5.409 -17.780 93 3HG2 VAL 14 HG23 VAL 14 19.336 -3.908 -17.460 94 H LEU 15 HN LEU 15 16.115 -2.799 -14.395 95 HA LEU 15 HA LEU 15 15.386 -4.478 -12.134 96 1HB LEU 15 HB2 LEU 15 17.045 -2.502 -12.065 97 2HB LEU 15 HB1 LEU 15 15.614 -1.489 -12.037 98 HG LEU 15 HG LEU 15 14.864 -2.771 -9.996 99 1HD1 LEU 15 HD11 LEU 15 16.172 -4.758 -10.207 100 2HD1 LEU 15 HD12 LEU 15 16.682 -3.920 -8.742 101 3HD1 LEU 15 HD13 LEU 15 17.673 -3.834 -10.196 102 1HD2 LEU 15 HD21 LEU 15 16.081 -1.416 -8.517 103 2HD2 LEU 15 HD22 LEU 15 16.051 -0.516 -10.033 104 3HD2 LEU 15 HD23 LEU 15 17.501 -1.403 -9.563 105 H ALA 16 HN ALA 16 13.633 -3.391 -14.584 106 HA ALA 16 HA ALA 16 11.478 -2.061 -13.242 107 1HB ALA 16 HB1 ALA 16 10.260 -2.434 -15.390 108 2HB ALA 16 HB2 ALA 16 11.680 -3.298 -15.979 109 3HB ALA 16 HB3 ALA 16 11.798 -1.592 -15.555 110 H ASN 17 HN ASN 17 12.493 -5.128 -12.926 111 HA ASN 17 HA ASN 17 9.927 -6.462 -13.056 112 1HB ASN 17 HB2 ASN 17 11.130 -8.465 -12.496 113 2HB ASN 17 HB1 ASN 17 12.086 -7.586 -13.686 114 1HD2 ASN 17 HD21 ASN 17 13.936 -6.416 -12.954 115 2HD2 ASN 17 HD22 ASN 17 14.756 -6.893 -11.509 116 H LEU 18 HN LEU 18 11.360 -4.401 -10.919 117 HA LEU 18 HA LEU 18 9.931 -5.581 -8.632 118 1HB LEU 18 HB2 LEU 18 12.397 -3.849 -8.478 119 2HB LEU 18 HB1 LEU 18 11.586 -4.648 -7.144 120 HG LEU 18 HG LEU 18 12.295 -6.671 -8.996 121 1HD1 LEU 18 HD11 LEU 18 13.922 -5.328 -10.045 122 2HD1 LEU 18 HD12 LEU 18 14.801 -6.340 -8.900 123 3HD1 LEU 18 HD13 LEU 18 14.468 -4.653 -8.510 124 1HD2 LEU 18 HD21 LEU 18 13.586 -7.522 -7.155 125 2HD2 LEU 18 HD22 LEU 18 12.085 -6.838 -6.532 126 3HD2 LEU 18 HD23 LEU 18 13.593 -5.939 -6.376 127 H THR 19 HN THR 19 8.654 -3.891 -10.443 128 HA THR 19 HA THR 19 8.723 -1.193 -9.442 129 HB THR 19 HB THR 19 6.793 -2.508 -11.361 130 HG1 THR 19 HG1 THR 19 8.108 -1.827 -12.931 131 1HG2 THR 19 HG21 THR 19 6.377 -0.200 -12.148 132 2HG2 THR 19 HG22 THR 19 7.276 0.394 -10.752 133 3HG2 THR 19 HG23 THR 19 5.783 -0.513 -10.517 134 HA PRO 20 HA PRO 20 4.393 -2.492 -7.715 135 1HB PRO 20 HB2 PRO 20 3.958 -5.158 -7.373 136 2HB PRO 20 HB1 PRO 20 3.478 -4.275 -8.825 137 1HG PRO 20 HG2 PRO 20 5.871 -6.003 -8.360 138 2HG PRO 20 HG1 PRO 20 4.824 -5.900 -9.787 139 1HD PRO 20 HD2 PRO 20 7.243 -4.701 -9.652 140 2HD PRO 20 HD1 PRO 20 5.897 -4.031 -10.594 141 H GLU 21 HN GLU 21 7.280 -4.338 -6.988 142 HA GLU 21 HA GLU 21 6.609 -4.795 -4.238 143 1HB GLU 21 HB2 GLU 21 8.118 -6.323 -5.342 144 2HB GLU 21 HB1 GLU 21 9.222 -5.014 -5.741 145 1HG GLU 21 HG2 GLU 21 8.787 -5.064 -2.918 146 2HG GLU 21 HG1 GLU 21 9.241 -6.674 -3.474 147 H GLN 22 HN GLN 22 8.720 -2.534 -5.969 148 HA GLN 22 HA GLN 22 9.565 -1.185 -3.591 149 1HB GLN 22 HB2 GLN 22 9.734 -0.310 -6.477 150 2HB GLN 22 HB1 GLN 22 10.594 0.427 -5.132 151 1HG GLN 22 HG2 GLN 22 10.931 -2.446 -5.933 152 2HG GLN 22 HG1 GLN 22 11.930 -1.137 -6.561 153 1HE2 GLN 22 HE21 GLN 22 13.319 -2.979 -5.414 154 2HE2 GLN 22 HE22 GLN 22 13.830 -2.553 -3.818 155 H GLN 23 HN GLN 23 7.357 -0.335 -6.257 156 HA GLN 23 HA GLN 23 6.569 2.163 -5.355 157 1HB GLN 23 HB2 GLN 23 5.984 1.102 -7.564 158 2HB GLN 23 HB1 GLN 23 4.747 0.178 -6.720 159 1HG GLN 23 HG2 GLN 23 4.079 2.636 -5.911 160 2HG GLN 23 HG1 GLN 23 4.812 3.031 -7.464 161 1HE2 GLN 23 HE21 GLN 23 3.031 3.556 -8.600 162 2HE2 GLN 23 HE22 GLN 23 1.730 2.470 -8.936 163 H LYS 24 HN LYS 24 5.058 -0.990 -4.655 164 HA LYS 24 HA LYS 24 3.053 0.028 -2.960 165 1HB LYS 24 HB2 LYS 24 4.301 -2.689 -3.272 166 2HB LYS 24 HB1 LYS 24 3.089 -2.383 -2.036 167 1HG LYS 24 HG2 LYS 24 1.951 -1.339 -4.324 168 2HG LYS 24 HG1 LYS 24 2.772 -2.794 -4.890 169 1HD LYS 24 HD2 LYS 24 1.418 -3.340 -2.419 170 2HD LYS 24 HD1 LYS 24 0.295 -2.609 -3.566 171 1HE LYS 24 HE2 LYS 24 2.095 -4.790 -4.502 172 2HE LYS 24 HE1 LYS 24 0.697 -5.210 -3.515 173 1HZ LYS 24 HZ1 LYS 24 -0.368 -3.533 -5.329 174 2HZ LYS 24 HZ2 LYS 24 -0.377 -5.219 -5.460 175 3HZ LYS 24 HZ3 LYS 24 0.813 -4.316 -6.254 176 H ASN 25 HN ASN 25 6.415 -0.672 -2.432 177 HA ASN 25 HA ASN 25 6.300 -0.860 0.405 178 1HB ASN 25 HB2 ASN 25 8.422 -0.648 -1.651 179 2HB ASN 25 HB1 ASN 25 8.849 -0.076 -0.041 180 1HD2 ASN 25 HD21 ASN 25 10.192 -1.667 0.587 181 2HD2 ASN 25 HD22 ASN 25 9.733 -3.324 0.757 182 H VAL 26 HN VAL 26 7.407 1.781 -1.740 183 HA VAL 26 HA VAL 26 7.851 3.682 0.229 184 HB VAL 26 HB VAL 26 8.347 3.796 -2.308 185 1HG1 VAL 26 HG11 VAL 26 6.785 5.163 -3.604 186 2HG1 VAL 26 HG12 VAL 26 5.637 5.113 -2.267 187 3HG1 VAL 26 HG13 VAL 26 6.067 3.630 -3.117 188 1HG2 VAL 26 HG21 VAL 26 8.959 5.971 -2.033 189 2HG2 VAL 26 HG22 VAL 26 8.594 5.574 -0.354 190 3HG2 VAL 26 HG23 VAL 26 7.407 6.434 -1.334 191 H LEU 27 HN LEU 27 4.870 2.986 -1.557 192 HA LEU 27 HA LEU 27 3.257 5.014 -0.661 193 1HB LEU 27 HB2 LEU 27 2.571 2.126 -1.183 194 2HB LEU 27 HB1 LEU 27 1.365 3.362 -0.879 195 HG LEU 27 HG LEU 27 3.245 3.193 -3.227 196 1HD1 LEU 27 HD11 LEU 27 0.257 3.358 -3.284 197 2HD1 LEU 27 HD12 LEU 27 1.085 1.814 -3.072 198 3HD1 LEU 27 HD13 LEU 27 1.364 2.772 -4.526 199 1HD2 LEU 27 HD21 LEU 27 1.671 5.469 -2.152 200 2HD2 LEU 27 HD22 LEU 27 1.707 5.236 -3.901 201 3HD2 LEU 27 HD23 LEU 27 3.213 5.462 -3.010 202 H GLY 28 HN GLY 28 3.835 1.882 0.946 203 1HA GLY 28 HA2 GLY 28 2.149 2.304 3.141 204 2HA GLY 28 HA1 GLY 28 3.540 1.231 3.127 205 H GLU 29 HN GLU 29 5.587 3.123 2.742 206 HA GLU 29 HA GLU 29 5.945 4.034 5.398 207 1HB GLU 29 HB2 GLU 29 7.436 4.840 2.886 208 2HB GLU 29 HB1 GLU 29 7.977 5.129 4.534 209 1HG GLU 29 HG2 GLU 29 7.364 2.328 3.892 210 2HG GLU 29 HG1 GLU 29 8.730 3.024 3.020 211 H ARG 30 HN ARG 30 5.353 5.773 2.356 212 HA ARG 30 HA ARG 30 5.052 8.315 3.586 213 1HB ARG 30 HB2 ARG 30 3.857 7.577 0.927 214 2HB ARG 30 HB1 ARG 30 4.463 9.137 1.457 215 1HG ARG 30 HG2 ARG 30 6.411 6.912 1.345 216 2HG ARG 30 HG1 ARG 30 5.816 7.549 -0.187 217 1HD ARG 30 HD2 ARG 30 6.891 9.512 0.065 218 2HD ARG 30 HD1 ARG 30 6.613 9.564 1.806 219 HE ARG 30 HE ARG 30 8.436 7.767 1.853 220 1HH1 ARG 30 HH11 ARG 30 8.341 10.398 -0.454 221 2HH1 ARG 30 HH12 ARG 30 10.053 10.397 -0.700 222 1HH2 ARG 30 HH21 ARG 30 10.681 7.779 1.523 223 2HH2 ARG 30 HH22 ARG 30 11.380 8.916 0.418 224 H LEU 31 HN LEU 31 2.961 5.616 3.330 225 HA LEU 31 HA LEU 31 0.468 6.957 3.288 226 1HB LEU 31 HB2 LEU 31 1.379 4.311 3.256 227 2HB LEU 31 HB1 LEU 31 0.417 4.436 4.707 228 HG LEU 31 HG LEU 31 -1.115 5.644 2.726 229 1HD1 LEU 31 HD11 LEU 31 -1.218 4.127 0.905 230 2HD1 LEU 31 HD12 LEU 31 -0.074 3.030 1.679 231 3HD1 LEU 31 HD13 LEU 31 0.469 4.603 1.096 232 1HD2 LEU 31 HD21 LEU 31 -2.683 4.084 3.335 233 2HD2 LEU 31 HD22 LEU 31 -1.585 3.995 4.710 234 3HD2 LEU 31 HD23 LEU 31 -1.501 2.779 3.434 235 H TYR 32 HN TYR 32 2.116 5.245 5.912 236 HA TYR 32 HA TYR 32 0.533 5.925 8.031 237 1HB TYR 32 HB2 TYR 32 2.517 4.357 7.973 238 2HB TYR 32 HB1 TYR 32 3.556 5.765 8.128 239 HD1 TYR 32 HD1 TYR 32 3.485 7.112 10.242 240 HD2 TYR 32 HD2 TYR 32 1.430 3.408 9.848 241 HE1 TYR 32 HE1 TYR 32 3.333 6.936 12.693 242 HE2 TYR 32 HE2 TYR 32 1.262 3.232 12.292 243 HH TYR 32 HH TYR 32 1.393 5.405 14.311 244 H ASN 33 HN ASN 33 2.911 7.931 6.425 245 HA ASN 33 HA ASN 33 3.043 9.936 8.448 246 1HB ASN 33 HB2 ASN 33 4.865 9.855 6.937 247 2HB ASN 33 HB1 ASN 33 3.805 9.852 5.532 248 1HD2 ASN 33 HD21 ASN 33 2.400 11.876 5.352 249 2HD2 ASN 33 HD22 ASN 33 3.205 13.379 5.665 250 H HIS 34 HN HIS 34 1.037 9.495 5.580 251 HA HIS 34 HA HIS 34 -0.076 12.066 5.567 252 1HB HIS 34 HB2 HIS 34 -1.725 11.210 4.107 253 2HB HIS 34 HB1 HIS 34 -0.269 10.306 3.736 254 HD1 HIS 34 HD1 HIS 34 -0.961 7.964 3.190 255 HD2 HIS 34 HD2 HIS 34 -3.192 9.579 6.272 256 HE1 HIS 34 HE1 HIS 34 -2.505 6.117 3.947 257 HE2 HIS 34 HE2 HIS 34 -3.767 7.095 5.886 258 H ILE 35 HN ILE 35 -1.025 9.124 7.201 259 HA ILE 35 HA ILE 35 -3.211 10.499 8.557 260 HB ILE 35 HB ILE 35 -3.870 8.410 7.659 261 1HG1 ILE 35 HG12 ILE 35 -3.517 7.526 10.471 262 2HG1 ILE 35 HG11 ILE 35 -4.371 9.043 10.200 263 1HG2 ILE 35 HG21 ILE 35 -1.664 7.414 7.416 264 2HG2 ILE 35 HG22 ILE 35 -2.791 6.305 8.187 265 3HG2 ILE 35 HG23 ILE 35 -1.584 7.154 9.157 266 1HD1 ILE 35 HD11 ILE 35 -6.170 7.741 10.002 267 2HD1 ILE 35 HD12 ILE 35 -5.208 6.298 9.694 268 3HD1 ILE 35 HD13 ILE 35 -5.555 7.422 8.383 269 H VAL 36 HN VAL 36 0.051 9.657 9.285 270 HA VAL 36 HA VAL 36 -0.223 9.007 12.000 271 HB VAL 36 HB VAL 36 1.942 8.758 10.854 272 1HG1 VAL 36 HG11 VAL 36 1.795 10.929 9.609 273 2HG1 VAL 36 HG12 VAL 36 3.361 10.591 10.340 274 3HG1 VAL 36 HG13 VAL 36 2.261 11.739 11.102 275 1HG2 VAL 36 HG21 VAL 36 2.923 10.509 12.905 276 2HG2 VAL 36 HG22 VAL 36 2.875 8.748 12.870 277 3HG2 VAL 36 HG23 VAL 36 1.489 9.654 13.474 278 H ALA 37 HN ALA 37 0.305 12.165 10.464 279 HA ALA 37 HA ALA 37 0.091 13.600 12.928 280 1HB ALA 37 HB1 ALA 37 -0.364 15.278 10.654 281 2HB ALA 37 HB2 ALA 37 0.960 14.163 10.313 282 3HB ALA 37 HB3 ALA 37 1.033 15.211 11.729 283 H ILE 38 HN ILE 38 -2.122 12.473 10.517 284 HA ILE 38 HA ILE 38 -4.223 14.300 11.373 285 HB ILE 38 HB ILE 38 -4.152 12.122 9.291 286 1HG1 ILE 38 HG12 ILE 38 -4.459 13.953 7.738 287 2HG1 ILE 38 HG11 ILE 38 -4.690 15.090 9.061 288 1HG2 ILE 38 HG21 ILE 38 -6.349 11.862 9.865 289 2HG2 ILE 38 HG22 ILE 38 -6.499 13.229 8.761 290 3HG2 ILE 38 HG23 ILE 38 -6.491 13.498 10.503 291 1HD1 ILE 38 HD11 ILE 38 -2.450 15.153 9.568 292 2HD1 ILE 38 HD12 ILE 38 -2.418 14.974 7.814 293 3HD1 ILE 38 HD13 ILE 38 -2.131 13.574 8.849 294 H ASN 39 HN ASN 39 -4.121 10.736 11.075 295 HA ASN 39 HA ASN 39 -5.641 10.603 13.594 296 1HB ASN 39 HB2 ASN 39 -6.703 9.923 11.205 297 2HB ASN 39 HB1 ASN 39 -5.986 8.387 11.673 298 1HD2 ASN 39 HD21 ASN 39 -6.407 7.902 14.111 299 2HD2 ASN 39 HD22 ASN 39 -8.058 8.067 14.599 300 HA PRO 40 HA PRO 40 -1.548 8.474 14.184 301 1HB PRO 40 HB2 PRO 40 -2.460 9.030 16.966 302 2HB PRO 40 HB1 PRO 40 -0.860 9.230 16.245 303 1HG PRO 40 HG2 PRO 40 -2.428 11.337 16.720 304 2HG PRO 40 HG1 PRO 40 -1.402 11.261 15.277 305 1HD PRO 40 HD2 PRO 40 -4.348 10.897 15.532 306 2HD PRO 40 HD1 PRO 40 -3.405 11.590 14.197 307 H ALA 41 HN ALA 41 -4.674 8.082 15.790 308 HA ALA 41 HA ALA 41 -4.067 5.332 16.500 309 1HB ALA 41 HB1 ALA 41 -6.634 5.588 17.215 310 2HB ALA 41 HB2 ALA 41 -6.163 7.288 17.212 311 3HB ALA 41 HB3 ALA 41 -5.295 6.132 18.223 312 H ALA 42 HN ALA 42 -3.923 5.562 13.821 313 HA ALA 42 HA ALA 42 -5.947 3.728 12.949 314 1HB ALA 42 HB1 ALA 42 -5.923 6.540 11.936 315 2HB ALA 42 HB2 ALA 42 -7.294 5.532 12.400 316 3HB ALA 42 HB3 ALA 42 -6.436 5.217 10.891 317 H ALA 43 HN ALA 43 -3.289 5.878 12.066 318 HA ALA 43 HA ALA 43 -2.361 5.005 9.711 319 1HB ALA 43 HB1 ALA 43 -1.249 6.638 11.267 320 2HB ALA 43 HB2 ALA 43 -0.160 5.582 10.370 321 3HB ALA 43 HB3 ALA 43 -0.507 5.253 12.068 322 H ALA 44 HN ALA 44 -1.589 3.370 12.781 323 HA ALA 44 HA ALA 44 -0.134 1.256 11.843 324 1HB ALA 44 HB1 ALA 44 -0.613 1.818 14.236 325 2HB ALA 44 HB2 ALA 44 -0.675 0.099 13.851 326 3HB ALA 44 HB3 ALA 44 -2.170 1.014 14.042 327 H LYS 45 HN LYS 45 -3.644 1.584 11.903 328 HA LYS 45 HA LYS 45 -4.063 -1.067 10.844 329 1HB LYS 45 HB2 LYS 45 -6.122 1.123 10.969 330 2HB LYS 45 HB1 LYS 45 -6.381 -0.615 10.980 331 1HG LYS 45 HG2 LYS 45 -4.749 0.132 13.212 332 2HG LYS 45 HG1 LYS 45 -6.211 1.121 13.174 333 1HD LYS 45 HD2 LYS 45 -7.586 -0.883 13.061 334 2HD LYS 45 HD1 LYS 45 -6.141 -1.894 13.027 335 1HE LYS 45 HE2 LYS 45 -6.033 -0.106 15.268 336 2HE LYS 45 HE1 LYS 45 -7.564 -0.980 15.276 337 1HZ LYS 45 HZ1 LYS 45 -6.059 -2.305 16.462 338 2HZ LYS 45 HZ2 LYS 45 -4.825 -2.100 15.324 339 3HZ LYS 45 HZ3 LYS 45 -6.175 -3.044 14.947 340 H VAL 46 HN VAL 46 -4.339 2.253 9.683 341 HA VAL 46 HA VAL 46 -5.280 1.690 7.107 342 HB VAL 46 HB VAL 46 -3.716 4.012 8.219 343 1HG1 VAL 46 HG11 VAL 46 -3.192 3.976 5.883 344 2HG1 VAL 46 HG12 VAL 46 -4.385 5.243 6.161 345 3HG1 VAL 46 HG13 VAL 46 -4.881 3.705 5.456 346 1HG2 VAL 46 HG21 VAL 46 -5.691 4.663 8.978 347 2HG2 VAL 46 HG22 VAL 46 -6.441 3.217 8.309 348 3HG2 VAL 46 HG23 VAL 46 -6.328 4.682 7.335 349 H THR 47 HN THR 47 -1.957 2.424 8.160 350 HA THR 47 HA THR 47 -0.680 2.074 5.729 351 HB THR 47 HB THR 47 0.486 1.304 8.402 352 HG1 THR 47 HG1 THR 47 -0.118 3.833 7.332 353 1HG2 THR 47 HG21 THR 47 2.571 1.922 7.567 354 2HG2 THR 47 HG22 THR 47 1.870 2.743 6.173 355 3HG2 THR 47 HG23 THR 47 1.834 0.983 6.269 356 H GLY 48 HN GLY 48 -1.087 -0.327 8.321 357 1HA GLY 48 HA2 GLY 48 0.082 -2.452 6.849 358 2HA GLY 48 HA1 GLY 48 -0.847 -2.607 8.331 359 H MET 49 HN MET 49 -3.305 -1.861 7.774 360 HA MET 49 HA MET 49 -4.286 -4.006 6.199 361 1HB MET 49 HB2 MET 49 -5.856 -1.609 7.147 362 2HB MET 49 HB1 MET 49 -6.482 -3.197 6.729 363 1HG MET 49 HG2 MET 49 -4.570 -2.729 9.000 364 2HG MET 49 HG1 MET 49 -6.323 -2.699 9.182 365 1HE MET 49 HE1 MET 49 -3.231 -4.407 8.323 366 2HE MET 49 HE2 MET 49 -3.813 -5.766 7.360 367 3HE MET 49 HE3 MET 49 -3.417 -5.998 9.063 368 H LEU 50 HN LEU 50 -4.323 -0.480 5.723 369 HA LEU 50 HA LEU 50 -5.193 0.687 3.880 370 1HB LEU 50 HB2 LEU 50 -2.755 0.796 3.858 371 2HB LEU 50 HB1 LEU 50 -2.688 -0.647 2.869 372 HG LEU 50 HG LEU 50 -3.946 0.601 1.091 373 1HD1 LEU 50 HD11 LEU 50 -4.955 2.493 1.701 374 2HD1 LEU 50 HD12 LEU 50 -3.358 3.238 1.674 375 3HD1 LEU 50 HD13 LEU 50 -4.010 2.605 3.186 376 1HD2 LEU 50 HD21 LEU 50 -1.202 1.230 2.017 377 2HD2 LEU 50 HD22 LEU 50 -1.874 2.221 0.722 378 3HD2 LEU 50 HD23 LEU 50 -1.748 0.473 0.521 379 H LEU 51 HN LEU 51 -3.894 -2.298 2.387 380 HA LEU 51 HA LEU 51 -5.744 -2.197 0.242 381 1HB LEU 51 HB2 LEU 51 -3.764 -4.207 1.239 382 2HB LEU 51 HB1 LEU 51 -4.903 -4.651 -0.017 383 HG LEU 51 HG LEU 51 -3.949 -2.411 -1.119 384 1HD1 LEU 51 HD11 LEU 51 -2.054 -1.635 -0.266 385 2HD1 LEU 51 HD12 LEU 51 -1.326 -3.240 -0.303 386 3HD1 LEU 51 HD13 LEU 51 -2.270 -2.733 1.096 387 1HD2 LEU 51 HD21 LEU 51 -3.597 -4.027 -2.603 388 2HD2 LEU 51 HD22 LEU 51 -3.397 -5.242 -1.340 389 3HD2 LEU 51 HD23 LEU 51 -2.021 -4.261 -1.848 390 H GLU 52 HN GLU 52 -7.634 -1.929 1.806 391 HA GLU 52 HA GLU 52 -8.590 -4.477 2.863 392 1HB GLU 52 HB2 GLU 52 -9.616 -1.645 3.130 393 2HB GLU 52 HB1 GLU 52 -10.466 -3.046 3.772 394 1HG GLU 52 HG2 GLU 52 -7.654 -2.303 4.535 395 2HG GLU 52 HG1 GLU 52 -9.085 -1.792 5.428 396 H MET 53 HN MET 53 -11.156 -4.597 2.573 397 HA MET 53 HA MET 53 -11.568 -5.210 -0.141 398 1HB MET 53 HB2 MET 53 -13.464 -4.939 2.185 399 2HB MET 53 HB1 MET 53 -14.010 -5.408 0.580 400 1HG MET 53 HG2 MET 53 -12.023 -6.874 2.301 401 2HG MET 53 HG1 MET 53 -13.682 -7.358 1.961 402 1HE MET 53 HE1 MET 53 -14.361 -8.603 -0.589 403 2HE MET 53 HE2 MET 53 -13.480 -7.869 -1.929 404 3HE MET 53 HE3 MET 53 -14.281 -6.849 -0.735 405 H ASP 54 HN ASP 54 -13.205 -2.689 1.807 406 HA ASP 54 HA ASP 54 -14.023 -1.356 -0.629 407 1HB ASP 54 HB2 ASP 54 -15.123 0.248 0.964 408 2HB ASP 54 HB1 ASP 54 -15.717 -1.401 0.995 409 H ASN 55 HN ASN 55 -12.626 0.055 2.345 410 HA ASN 55 HA ASN 55 -11.649 2.352 1.227 411 1HB ASN 55 HB2 ASN 55 -11.641 1.944 3.637 412 2HB ASN 55 HB1 ASN 55 -10.376 0.734 3.441 413 1HD2 ASN 55 HD21 ASN 55 -9.090 1.943 4.893 414 2HD2 ASN 55 HD22 ASN 55 -8.251 3.360 4.365 415 H GLY 56 HN GLY 56 -10.312 -0.868 1.018 416 1HA GLY 56 HA2 GLY 56 -7.699 -0.191 0.263 417 2HA GLY 56 HA1 GLY 56 -8.515 -1.691 -0.144 418 H GLU 57 HN GLU 57 -10.310 -1.316 -1.898 419 HA GLU 57 HA GLU 57 -9.259 -0.977 -4.321 420 1HB GLU 57 HB2 GLU 57 -11.970 0.127 -3.589 421 2HB GLU 57 HB1 GLU 57 -11.432 -0.358 -5.191 422 1HG GLU 57 HG2 GLU 57 -11.191 -2.432 -3.139 423 2HG GLU 57 HG1 GLU 57 -12.843 -1.927 -3.496 424 H ILE 58 HN ILE 58 -10.568 1.744 -2.443 425 HA ILE 58 HA ILE 58 -10.096 3.757 -4.317 426 HB ILE 58 HB ILE 58 -10.170 3.855 -1.304 427 1HG1 ILE 58 HG12 ILE 58 -12.179 4.779 -3.365 428 2HG1 ILE 58 HG11 ILE 58 -12.243 3.221 -2.547 429 1HG2 ILE 58 HG21 ILE 58 -8.949 5.777 -1.783 430 2HG2 ILE 58 HG22 ILE 58 -10.615 6.357 -1.752 431 3HG2 ILE 58 HG23 ILE 58 -9.811 6.067 -3.294 432 1HD1 ILE 58 HD11 ILE 58 -12.868 4.144 -0.549 433 2HD1 ILE 58 HD12 ILE 58 -13.646 5.245 -1.686 434 3HD1 ILE 58 HD13 ILE 58 -12.127 5.703 -0.911 435 H LEU 59 HN LEU 59 -8.031 2.520 -1.716 436 HA LEU 59 HA LEU 59 -5.918 4.174 -1.680 437 1HB LEU 59 HB2 LEU 59 -4.684 2.466 -0.786 438 2HB LEU 59 HB1 LEU 59 -6.315 1.887 -0.545 439 HG LEU 59 HG LEU 59 -5.914 0.658 -2.835 440 1HD1 LEU 59 HD11 LEU 59 -3.264 -0.018 -2.311 441 2HD1 LEU 59 HD12 LEU 59 -3.302 1.742 -2.211 442 3HD1 LEU 59 HD13 LEU 59 -3.867 0.930 -3.671 443 1HD2 LEU 59 HD21 LEU 59 -4.371 -0.653 -0.713 444 2HD2 LEU 59 HD22 LEU 59 -5.811 -1.196 -1.577 445 3HD2 LEU 59 HD23 LEU 59 -5.961 -0.077 -0.223 446 H ASN 60 HN ASN 60 -6.694 1.965 -4.275 447 HA ASN 60 HA ASN 60 -4.320 1.916 -5.692 448 1HB ASN 60 HB2 ASN 60 -6.334 0.592 -6.261 449 2HB ASN 60 HB1 ASN 60 -7.106 2.056 -6.863 450 1HD2 ASN 60 HD21 ASN 60 -4.147 0.146 -7.265 451 2HD2 ASN 60 HD22 ASN 60 -4.028 0.375 -8.974 452 H LEU 61 HN LEU 61 -6.444 4.578 -5.176 453 HA LEU 61 HA LEU 61 -4.884 6.174 -7.093 454 1HB LEU 61 HB2 LEU 61 -7.800 6.517 -6.397 455 2HB LEU 61 HB1 LEU 61 -6.881 7.547 -7.478 456 HG LEU 61 HG LEU 61 -6.701 4.804 -8.338 457 1HD1 LEU 61 HD11 LEU 61 -9.337 5.730 -7.432 458 2HD1 LEU 61 HD12 LEU 61 -8.736 4.095 -7.706 459 3HD1 LEU 61 HD13 LEU 61 -9.291 5.070 -9.066 460 1HD2 LEU 61 HD21 LEU 61 -7.499 5.751 -10.428 461 2HD2 LEU 61 HD22 LEU 61 -6.266 6.791 -9.714 462 3HD2 LEU 61 HD23 LEU 61 -7.969 7.234 -9.596 463 H LEU 62 HN LEU 62 -3.908 5.998 -4.606 464 HA LEU 62 HA LEU 62 -4.574 7.340 -2.454 465 1HB LEU 62 HB2 LEU 62 -2.007 7.529 -3.979 466 2HB LEU 62 HB1 LEU 62 -2.195 8.341 -2.436 467 HG LEU 62 HG LEU 62 -2.889 5.465 -2.543 468 1HD1 LEU 62 HD11 LEU 62 -0.148 6.541 -3.006 469 2HD1 LEU 62 HD12 LEU 62 -0.947 5.140 -3.720 470 3HD1 LEU 62 HD13 LEU 62 -0.356 5.067 -2.059 471 1HD2 LEU 62 HD21 LEU 62 -1.116 6.330 -0.445 472 2HD2 LEU 62 HD22 LEU 62 -2.753 5.682 -0.335 473 3HD2 LEU 62 HD23 LEU 62 -2.504 7.411 -0.577 474 H ASP 63 HN ASP 63 -6.176 8.902 -2.788 475 HA ASP 63 HA ASP 63 -5.313 11.427 -4.015 476 1HB ASP 63 HB2 ASP 63 -7.537 10.067 -4.578 477 2HB ASP 63 HB1 ASP 63 -8.145 11.003 -3.215 478 H THR 64 HN THR 64 -6.485 13.407 -2.975 479 HA THR 64 HA THR 64 -5.504 13.555 -0.293 480 HB THR 64 HB THR 64 -7.268 15.725 -1.237 481 HG1 THR 64 HG1 THR 64 -6.436 15.608 -3.177 482 1HG2 THR 64 HG21 THR 64 -6.039 16.409 0.558 483 2HG2 THR 64 HG22 THR 64 -5.022 16.964 -0.773 484 3HG2 THR 64 HG23 THR 64 -4.620 15.476 0.084 485 HA PRO 65 HA PRO 65 -10.091 13.856 0.929 486 1HB PRO 65 HB2 PRO 65 -12.019 13.496 -0.939 487 2HB PRO 65 HB1 PRO 65 -11.309 15.071 -0.580 488 1HG PRO 65 HG2 PRO 65 -10.820 13.253 -2.877 489 2HG PRO 65 HG1 PRO 65 -10.795 15.022 -2.813 490 1HD PRO 65 HD2 PRO 65 -8.555 13.371 -2.806 491 2HD PRO 65 HD1 PRO 65 -8.587 15.068 -2.303 492 H GLY 66 HN GLY 66 -10.349 11.675 -1.907 493 1HA GLY 66 HA2 GLY 66 -11.762 9.628 -0.806 494 2HA GLY 66 HA1 GLY 66 -10.507 9.376 -2.008 495 H LEU 67 HN LEU 67 -8.183 9.583 -0.917 496 HA LEU 67 HA LEU 67 -7.859 7.351 0.722 497 1HB LEU 67 HB2 LEU 67 -6.246 9.293 -0.542 498 2HB LEU 67 HB1 LEU 67 -5.741 9.247 1.132 499 HG LEU 67 HG LEU 67 -4.516 7.753 -0.536 500 1HD1 LEU 67 HD11 LEU 67 -5.489 7.129 2.157 501 2HD1 LEU 67 HD12 LEU 67 -3.848 7.154 1.514 502 3HD1 LEU 67 HD13 LEU 67 -4.878 5.749 1.242 503 1HD2 LEU 67 HD21 LEU 67 -6.839 6.962 -1.432 504 2HD2 LEU 67 HD22 LEU 67 -6.726 5.800 -0.109 505 3HD2 LEU 67 HD23 LEU 67 -5.479 5.843 -1.354 506 H LEU 68 HN LEU 68 -7.074 10.675 1.741 507 HA LEU 68 HA LEU 68 -6.845 10.327 4.411 508 1HB LEU 68 HB2 LEU 68 -7.482 12.560 2.699 509 2HB LEU 68 HB1 LEU 68 -8.229 12.738 4.271 510 HG LEU 68 HG LEU 68 -6.112 12.650 5.378 511 1HD1 LEU 68 HD11 LEU 68 -4.138 12.603 3.452 512 2HD1 LEU 68 HD12 LEU 68 -5.267 11.357 2.920 513 3HD1 LEU 68 HD13 LEU 68 -4.570 11.282 4.538 514 1HD2 LEU 68 HD21 LEU 68 -6.793 14.637 3.532 515 2HD2 LEU 68 HD22 LEU 68 -5.066 14.358 3.311 516 3HD2 LEU 68 HD23 LEU 68 -5.694 14.779 4.904 517 H ASP 69 HN ASP 69 -9.979 10.843 2.771 518 HA ASP 69 HA ASP 69 -11.482 10.806 5.175 519 1HB ASP 69 HB2 ASP 69 -12.058 10.993 2.349 520 2HB ASP 69 HB1 ASP 69 -13.179 9.884 3.128 521 H ALA 70 HN ALA 70 -11.047 8.309 2.666 522 HA ALA 70 HA ALA 70 -12.375 6.271 4.091 523 1HB ALA 70 HB1 ALA 70 -11.835 6.344 1.612 524 2HB ALA 70 HB2 ALA 70 -11.634 4.793 2.425 525 3HB ALA 70 HB3 ALA 70 -10.224 5.784 2.055 526 H LYS 71 HN LYS 71 -9.397 7.719 4.713 527 HA LYS 71 HA LYS 71 -7.988 5.429 5.677 528 1HB LYS 71 HB2 LYS 71 -7.605 8.395 5.996 529 2HB LYS 71 HB1 LYS 71 -6.591 7.244 6.845 530 1HG LYS 71 HG2 LYS 71 -6.704 7.883 3.950 531 2HG LYS 71 HG1 LYS 71 -5.319 7.701 5.004 532 1HD LYS 71 HD2 LYS 71 -5.118 5.765 3.828 533 2HD LYS 71 HD1 LYS 71 -6.204 5.194 5.096 534 1HE LYS 71 HE2 LYS 71 -8.080 5.299 3.693 535 2HE LYS 71 HE1 LYS 71 -7.259 6.334 2.524 536 1HZ LYS 71 HZ1 LYS 71 -5.894 3.857 2.847 537 2HZ LYS 71 HZ2 LYS 71 -6.515 4.563 1.440 538 3HZ LYS 71 HZ3 LYS 71 -7.510 3.601 2.412 539 H VAL 72 HN VAL 72 -9.613 8.153 7.298 540 HA VAL 72 HA VAL 72 -9.381 6.943 9.883 541 HB VAL 72 HB VAL 72 -10.776 8.783 10.684 542 1HG1 VAL 72 HG11 VAL 72 -8.251 8.965 9.831 543 2HG1 VAL 72 HG12 VAL 72 -9.123 10.327 10.537 544 3HG1 VAL 72 HG13 VAL 72 -8.986 10.180 8.785 545 1HG2 VAL 72 HG21 VAL 72 -11.427 10.555 8.980 546 2HG2 VAL 72 HG22 VAL 72 -12.392 9.079 8.993 547 3HG2 VAL 72 HG23 VAL 72 -11.165 9.319 7.749 548 H GLN 73 HN GLN 73 -12.044 7.421 7.578 549 HA GLN 73 HA GLN 73 -14.124 6.392 9.065 550 1HB GLN 73 HB2 GLN 73 -13.689 6.054 6.095 551 2HB GLN 73 HB1 GLN 73 -15.227 5.918 6.935 552 1HG GLN 73 HG2 GLN 73 -13.567 8.423 6.886 553 2HG GLN 73 HG1 GLN 73 -14.863 8.076 5.742 554 1HE2 GLN 73 HE21 GLN 73 -16.402 9.482 6.269 555 2HE2 GLN 73 HE22 GLN 73 -17.096 9.662 7.840 556 H GLU 74 HN GLU 74 -11.849 4.616 6.978 557 HA GLU 74 HA GLU 74 -13.040 2.080 7.550 558 1HB GLU 74 HB2 GLU 74 -11.879 2.477 5.454 559 2HB GLU 74 HB1 GLU 74 -10.372 2.755 6.315 560 1HG GLU 74 HG2 GLU 74 -11.778 0.170 6.725 561 2HG GLU 74 HG1 GLU 74 -10.919 0.431 5.210 562 H ALA 75 HN ALA 75 -10.221 3.846 8.760 563 HA ALA 75 HA ALA 75 -9.214 1.708 10.337 564 1HB ALA 75 HB1 ALA 75 -7.634 3.190 11.146 565 2HB ALA 75 HB2 ALA 75 -8.722 4.575 11.035 566 3HB ALA 75 HB3 ALA 75 -8.027 3.880 9.571 567 H LEU 76 HN LEU 76 -11.112 4.605 11.202 568 HA LEU 76 HA LEU 76 -11.401 3.889 13.912 569 1HB LEU 76 HB2 LEU 76 -12.745 5.826 12.092 570 2HB LEU 76 HB1 LEU 76 -13.519 5.451 13.618 571 HG LEU 76 HG LEU 76 -10.782 6.656 13.225 572 1HD1 LEU 76 HD11 LEU 76 -12.649 8.200 12.913 573 2HD1 LEU 76 HD12 LEU 76 -11.740 8.574 14.376 574 3HD1 LEU 76 HD13 LEU 76 -13.293 7.744 14.491 575 1HD2 LEU 76 HD21 LEU 76 -11.573 4.996 15.318 576 2HD2 LEU 76 HD22 LEU 76 -11.762 6.631 15.944 577 3HD2 LEU 76 HD23 LEU 76 -10.205 6.108 15.303 578 H GLU 77 HN GLU 77 -13.202 3.080 11.022 579 HA GLU 77 HA GLU 77 -15.497 2.049 12.319 580 1HB GLU 77 HB2 GLU 77 -15.550 2.633 9.959 581 2HB GLU 77 HB1 GLU 77 -14.347 1.401 9.600 582 1HG GLU 77 HG2 GLU 77 -15.932 -0.331 10.313 583 2HG GLU 77 HG1 GLU 77 -17.135 0.918 10.630 584 H VAL 78 HN VAL 78 -12.424 0.592 11.333 585 HA VAL 78 HA VAL 78 -13.294 -2.005 12.313 586 HB VAL 78 HB VAL 78 -11.955 -1.923 10.258 587 1HG1 VAL 78 HG11 VAL 78 -9.392 -1.414 11.530 588 2HG1 VAL 78 HG12 VAL 78 -10.461 -0.014 11.559 589 3HG1 VAL 78 HG13 VAL 78 -10.058 -0.781 10.026 590 1HG2 VAL 78 HG21 VAL 78 -9.980 -3.273 11.881 591 2HG2 VAL 78 HG22 VAL 78 -11.161 -3.941 10.755 592 3HG2 VAL 78 HG23 VAL 78 -11.619 -3.631 12.429 593 H LEU 79 HN LEU 79 -12.090 0.754 13.672 594 HA LEU 79 HA LEU 79 -10.107 -0.163 15.431 595 1HB LEU 79 HB2 LEU 79 -11.333 2.241 14.830 596 2HB LEU 79 HB1 LEU 79 -11.794 1.978 16.493 597 HG LEU 79 HG LEU 79 -9.786 3.329 16.375 598 1HD1 LEU 79 HD11 LEU 79 -9.519 2.257 18.327 599 2HD1 LEU 79 HD12 LEU 79 -8.212 1.433 17.480 600 3HD1 LEU 79 HD13 LEU 79 -9.794 0.666 17.614 601 1HD2 LEU 79 HD21 LEU 79 -8.160 1.103 15.286 602 2HD2 LEU 79 HD22 LEU 79 -7.931 2.847 15.153 603 3HD2 LEU 79 HD23 LEU 79 -9.133 2.036 14.152 604 H ASN 80 HN ASN 80 -12.278 1.109 17.627 605 HA ASN 80 HA ASN 80 -12.617 -1.451 18.888 606 1HB ASN 80 HB2 ASN 80 -13.337 1.370 19.641 607 2HB ASN 80 HB1 ASN 80 -13.938 0.006 20.577 608 1HD2 ASN 80 HD21 ASN 80 -10.943 1.310 19.239 609 2HD2 ASN 80 HD22 ASN 80 -9.942 0.868 20.574 610 H ARG 81 HN ARG 81 -14.313 -0.038 16.441 611 HA ARG 81 HA ARG 81 -16.987 -0.427 17.299 612 1HB ARG 81 HB2 ARG 81 -16.064 -0.568 14.443 613 2HB ARG 81 HB1 ARG 81 -17.628 -0.054 15.048 614 1HG ARG 81 HG2 ARG 81 -15.464 1.571 16.095 615 2HG ARG 81 HG1 ARG 81 -15.526 1.581 14.331 616 1HD ARG 81 HD2 ARG 81 -17.362 2.845 14.315 617 2HD ARG 81 HD1 ARG 81 -18.161 1.821 15.502 618 HE ARG 81 HE ARG 81 -17.659 3.374 17.085 619 1HH1 ARG 81 HH11 ARG 81 -15.455 3.782 14.413 620 2HH1 ARG 81 HH12 ARG 81 -14.717 5.200 15.076 621 1HH2 ARG 81 HH21 ARG 81 -16.690 5.244 17.957 622 2HH2 ARG 81 HH22 ARG 81 -15.416 6.031 17.088 623 H HIS 82 HN HIS 82 -14.983 -2.721 17.547 624 HA HIS 82 HA HIS 82 -15.914 -4.805 15.851 625 1HB HIS 82 HB2 HIS 82 -13.896 -4.409 17.876 626 2HB HIS 82 HB1 HIS 82 -14.766 -5.912 18.182 627 HD1 HIS 82 HD1 HIS 82 -14.591 -7.772 16.350 628 HD2 HIS 82 HD2 HIS 82 -12.212 -4.433 15.677 629 HE1 HIS 82 HE1 HIS 82 -12.954 -8.462 14.569 630 HE2 HIS 82 HE2 HIS 82 -11.455 -6.460 14.261 631 H MET 83 HN MET 83 -17.302 -3.233 18.471 632 HA MET 83 HA MET 83 -18.631 -5.513 19.628 633 1HB MET 83 HB2 MET 83 -18.977 -2.544 20.075 634 2HB MET 83 HB1 MET 83 -19.819 -3.791 20.987 635 1HG MET 83 HG2 MET 83 -17.315 -4.631 21.344 636 2HG MET 83 HG1 MET 83 -17.002 -2.912 21.115 637 1HE MET 83 HE1 MET 83 -16.960 -1.929 24.570 638 2HE MET 83 HE2 MET 83 -17.665 -1.017 23.235 639 3HE MET 83 HE3 MET 83 -16.238 -2.021 22.964 640 H ASN 84 HN ASN 84 -20.268 -2.519 18.648 641 HA ASN 84 HA ASN 84 -22.297 -4.190 17.332 642 1HB ASN 84 HB2 ASN 84 -22.449 -1.912 19.112 643 2HB ASN 84 HB1 ASN 84 -23.328 -1.597 17.621 644 1HD2 ASN 84 HD21 ASN 84 -24.290 -2.033 20.351 645 2HD2 ASN 84 HD22 ASN 84 -25.398 -3.355 20.252 646 H VAL 85 HN VAL 85 -21.742 -0.724 16.892 647 HA VAL 85 HA VAL 85 -21.155 -1.255 14.052 648 HB VAL 85 HB VAL 85 -22.625 1.183 15.052 649 1HG1 VAL 85 HG11 VAL 85 -22.986 1.712 12.817 650 2HG1 VAL 85 HG12 VAL 85 -22.657 0.069 12.272 651 3HG1 VAL 85 HG13 VAL 85 -21.332 1.097 12.818 652 1HG2 VAL 85 HG21 VAL 85 -24.075 -0.937 13.567 653 2HG2 VAL 85 HG22 VAL 85 -24.661 0.201 14.780 654 3HG2 VAL 85 HG23 VAL 85 -23.745 -1.221 15.275 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 16.034 0.931 -32.892 2 2H GLY 1 HT2 GLY 1 17.641 1.453 -32.938 3 3H GLY 1 HT3 GLY 1 17.293 -0.199 -32.890 4 1HA GLY 1 HA1 GLY 1 16.580 1.630 -35.118 5 2HA GLY 1 HA2 GLY 1 17.954 0.533 -35.121 6 H SER 2 HN SER 2 17.047 -1.780 -34.190 7 HA SER 2 HA SER 2 14.700 -2.440 -35.840 8 1HB SER 2 HB2 SER 2 16.348 -4.730 -35.761 9 2HB SER 2 HB1 SER 2 16.001 -3.705 -37.155 10 HG SER 2 HG SER 2 17.897 -2.766 -36.953 11 H SER 3 HN SER 3 13.161 -2.877 -34.383 12 HA SER 3 HA SER 3 13.863 -4.573 -32.082 13 1HB SER 3 HB2 SER 3 12.197 -3.525 -30.818 14 2HB SER 3 HB1 SER 3 12.863 -2.197 -31.768 15 HG SER 3 HG SER 3 11.113 -2.352 -33.158 16 H LEU 4 HN LEU 4 13.067 -6.557 -31.982 17 HA LEU 4 HA LEU 4 11.363 -7.556 -34.059 18 1HB LEU 4 HB2 LEU 4 12.781 -8.712 -31.703 19 2HB LEU 4 HB1 LEU 4 11.477 -9.634 -32.421 20 HG LEU 4 HG LEU 4 12.623 -9.748 -34.532 21 1HD1 LEU 4 HD11 LEU 4 13.627 -7.420 -34.274 22 2HD1 LEU 4 HD12 LEU 4 14.621 -8.646 -35.056 23 3HD1 LEU 4 HD13 LEU 4 14.925 -8.205 -33.375 24 1HD2 LEU 4 HD21 LEU 4 13.766 -11.487 -33.765 25 2HD2 LEU 4 HD22 LEU 4 13.608 -10.852 -32.128 26 3HD2 LEU 4 HD23 LEU 4 15.005 -10.417 -33.110 27 H ALA 5 HN ALA 5 9.662 -9.312 -32.999 28 HA ALA 5 HA ALA 5 7.595 -7.621 -31.914 29 1HB ALA 5 HB1 ALA 5 7.702 -10.451 -32.887 30 2HB ALA 5 HB2 ALA 5 6.780 -9.086 -33.520 31 3HB ALA 5 HB3 ALA 5 6.296 -9.852 -32.007 32 H SER 6 HN SER 6 9.283 -10.573 -30.842 33 HA SER 6 HA SER 6 8.108 -10.305 -28.190 34 1HB SER 6 HB2 SER 6 9.224 -12.471 -29.758 35 2HB SER 6 HB1 SER 6 9.954 -12.417 -28.154 36 HG SER 6 HG SER 6 7.319 -12.921 -28.903 37 H GLN 7 HN GLN 7 11.429 -10.976 -29.307 38 HA GLN 7 HA GLN 7 12.475 -9.615 -26.959 39 1HB GLN 7 HB2 GLN 7 13.360 -11.733 -28.652 40 2HB GLN 7 HB1 GLN 7 14.564 -10.456 -28.713 41 1HG GLN 7 HG2 GLN 7 15.201 -10.763 -26.578 42 2HG GLN 7 HG1 GLN 7 13.570 -11.150 -26.033 43 1HE2 GLN 7 HE21 GLN 7 16.429 -12.404 -25.964 44 2HE2 GLN 7 HE22 GLN 7 16.109 -14.072 -26.274 45 H GLY 8 HN GLY 8 11.362 -7.635 -28.093 46 1HA GLY 8 HA2 GLY 8 13.090 -6.410 -30.101 47 2HA GLY 8 HA1 GLY 8 11.546 -5.788 -29.539 48 H GLN 9 HN GLN 9 11.672 -3.993 -28.389 49 HA GLN 9 HA GLN 9 14.195 -3.054 -27.393 50 1HB GLN 9 HB2 GLN 9 11.415 -1.900 -27.122 51 2HB GLN 9 HB1 GLN 9 12.900 -1.074 -26.670 52 1HG GLN 9 HG2 GLN 9 13.641 -1.290 -29.047 53 2HG GLN 9 HG1 GLN 9 12.029 -1.895 -29.426 54 1HE2 GLN 9 HE21 GLN 9 13.675 0.842 -27.898 55 2HE2 GLN 9 HE22 GLN 9 12.549 2.040 -28.427 56 H ASN 10 HN ASN 10 14.273 -5.108 -25.981 57 HA ASN 10 HA ASN 10 12.687 -5.286 -23.660 58 1HB ASN 10 HB2 ASN 10 15.104 -6.576 -24.705 59 2HB ASN 10 HB1 ASN 10 15.070 -6.468 -22.949 60 1HD2 ASN 10 HD21 ASN 10 12.362 -6.823 -25.176 61 2HD2 ASN 10 HD22 ASN 10 11.843 -8.361 -24.584 62 H LEU 11 HN LEU 11 15.651 -3.571 -24.398 63 HA LEU 11 HA LEU 11 16.508 -2.901 -21.844 64 1HB LEU 11 HB2 LEU 11 16.649 -1.182 -24.322 65 2HB LEU 11 HB1 LEU 11 17.645 -1.007 -22.889 66 HG LEU 11 HG LEU 11 17.848 -3.690 -23.950 67 1HD1 LEU 11 HD11 LEU 11 17.579 -3.110 -26.129 68 2HD1 LEU 11 HD12 LEU 11 19.286 -2.702 -25.943 69 3HD1 LEU 11 HD13 LEU 11 18.061 -1.434 -25.863 70 1HD2 LEU 11 HD21 LEU 11 19.472 -2.848 -22.433 71 2HD2 LEU 11 HD22 LEU 11 19.778 -1.436 -23.443 72 3HD2 LEU 11 HD23 LEU 11 20.270 -3.037 -23.994 73 H SER 12 HN SER 12 13.900 -1.578 -23.760 74 HA SER 12 HA SER 12 13.496 0.776 -22.224 75 1HB SER 12 HB2 SER 12 11.708 -0.770 -24.102 76 2HB SER 12 HB1 SER 12 11.196 0.720 -23.310 77 HG SER 12 HG SER 12 12.053 1.471 -25.129 78 H THR 13 HN THR 13 11.819 -2.364 -22.266 79 HA THR 13 HA THR 13 10.554 -1.685 -19.710 80 HB THR 13 HB THR 13 9.200 -3.781 -20.185 81 HG1 THR 13 HG1 THR 13 10.934 -4.313 -21.919 82 1HG2 THR 13 HG21 THR 13 7.705 -2.318 -20.886 83 2HG2 THR 13 HG22 THR 13 8.390 -2.441 -22.507 84 3HG2 THR 13 HG23 THR 13 8.974 -1.203 -21.394 85 H VAL 14 HN VAL 14 13.398 -2.477 -20.006 86 HA VAL 14 HA VAL 14 13.644 -5.149 -18.999 87 HB VAL 14 HB VAL 14 15.420 -3.935 -20.313 88 1HG1 VAL 14 HG11 VAL 14 16.115 -2.638 -17.696 89 2HG1 VAL 14 HG12 VAL 14 15.225 -1.816 -18.978 90 3HG1 VAL 14 HG13 VAL 14 16.870 -2.385 -19.269 91 1HG2 VAL 14 HG21 VAL 14 16.380 -5.006 -17.670 92 2HG2 VAL 14 HG22 VAL 14 17.233 -5.027 -19.215 93 3HG2 VAL 14 HG23 VAL 14 15.793 -6.020 -18.987 94 H LEU 15 HN LEU 15 13.545 -1.932 -17.627 95 HA LEU 15 HA LEU 15 14.385 -2.478 -15.023 96 1HB LEU 15 HB2 LEU 15 12.607 -0.420 -16.257 97 2HB LEU 15 HB1 LEU 15 12.694 -0.525 -14.511 98 HG LEU 15 HG LEU 15 14.214 1.175 -15.248 99 1HD1 LEU 15 HD11 LEU 15 16.317 0.368 -14.343 100 2HD1 LEU 15 HD12 LEU 15 15.773 -1.299 -14.516 101 3HD1 LEU 15 HD13 LEU 15 14.960 -0.221 -13.381 102 1HD2 LEU 15 HD21 LEU 15 15.428 -0.935 -17.023 103 2HD2 LEU 15 HD22 LEU 15 16.069 0.690 -16.777 104 3HD2 LEU 15 HD23 LEU 15 14.499 0.466 -17.552 105 H ALA 16 HN ALA 16 11.475 -3.339 -16.646 106 HA ALA 16 HA ALA 16 9.681 -3.542 -14.517 107 1HB ALA 16 HB1 ALA 16 9.825 -4.446 -17.257 108 2HB ALA 16 HB2 ALA 16 8.420 -3.998 -16.291 109 3HB ALA 16 HB3 ALA 16 9.047 -5.644 -16.223 110 H ASN 17 HN ASN 17 10.921 -4.305 -12.752 111 HA ASN 17 HA ASN 17 11.300 -7.226 -12.757 112 1HB ASN 17 HB2 ASN 17 13.225 -5.166 -12.248 113 2HB ASN 17 HB1 ASN 17 12.952 -6.052 -10.763 114 1HD2 ASN 17 HD21 ASN 17 15.055 -5.887 -13.059 115 2HD2 ASN 17 HD22 ASN 17 15.472 -7.547 -13.296 116 H LEU 18 HN LEU 18 11.504 -4.757 -10.235 117 HA LEU 18 HA LEU 18 9.276 -6.081 -8.835 118 1HB LEU 18 HB2 LEU 18 11.724 -4.778 -7.647 119 2HB LEU 18 HB1 LEU 18 10.379 -5.413 -6.725 120 HG LEU 18 HG LEU 18 12.055 -7.052 -6.601 121 1HD1 LEU 18 HD11 LEU 18 9.926 -8.063 -7.006 122 2HD1 LEU 18 HD12 LEU 18 11.144 -8.963 -7.907 123 3HD1 LEU 18 HD13 LEU 18 10.093 -7.825 -8.746 124 1HD2 LEU 18 HD21 LEU 18 13.465 -7.750 -8.280 125 2HD2 LEU 18 HD22 LEU 18 13.270 -6.034 -8.640 126 3HD2 LEU 18 HD23 LEU 18 12.363 -7.238 -9.555 127 H THR 19 HN THR 19 8.023 -4.456 -10.119 128 HA THR 19 HA THR 19 8.255 -1.699 -9.302 129 HB THR 19 HB THR 19 6.216 -3.091 -11.046 130 HG1 THR 19 HG1 THR 19 7.671 -1.411 -12.418 131 1HG2 THR 19 HG21 THR 19 5.161 -1.122 -10.251 132 2HG2 THR 19 HG22 THR 19 5.738 -0.786 -11.884 133 3HG2 THR 19 HG23 THR 19 6.624 -0.165 -10.489 134 HA PRO 20 HA PRO 20 3.992 -2.694 -7.235 135 1HB PRO 20 HB2 PRO 20 3.433 -5.315 -6.749 136 2HB PRO 20 HB1 PRO 20 2.905 -4.462 -8.203 137 1HG PRO 20 HG2 PRO 20 5.234 -6.299 -7.825 138 2HG PRO 20 HG1 PRO 20 4.090 -6.201 -9.178 139 1HD PRO 20 HD2 PRO 20 6.564 -5.128 -9.288 140 2HD PRO 20 HD1 PRO 20 5.181 -4.412 -10.135 141 H GLU 21 HN GLU 21 6.711 -4.855 -6.585 142 HA GLU 21 HA GLU 21 6.232 -5.142 -3.808 143 1HB GLU 21 HB2 GLU 21 7.740 -6.576 -5.284 144 2HB GLU 21 HB1 GLU 21 8.932 -5.293 -5.141 145 1HG GLU 21 HG2 GLU 21 9.295 -5.692 -2.901 146 2HG GLU 21 HG1 GLU 21 7.732 -6.477 -2.682 147 H GLN 22 HN GLN 22 8.428 -3.020 -5.638 148 HA GLN 22 HA GLN 22 9.366 -1.629 -3.341 149 1HB GLN 22 HB2 GLN 22 9.410 -0.852 -6.265 150 2HB GLN 22 HB1 GLN 22 10.277 -0.004 -4.989 151 1HG GLN 22 HG2 GLN 22 10.699 -2.901 -5.683 152 2HG GLN 22 HG1 GLN 22 11.669 -1.574 -6.319 153 1HE2 GLN 22 HE21 GLN 22 13.067 -3.395 -5.089 154 2HE2 GLN 22 HE22 GLN 22 13.548 -2.904 -3.503 155 H GLN 23 HN GLN 23 7.043 -0.773 -5.893 156 HA GLN 23 HA GLN 23 6.310 1.737 -4.999 157 1HB GLN 23 HB2 GLN 23 5.609 0.564 -7.140 158 2HB GLN 23 HB1 GLN 23 4.361 -0.230 -6.190 159 1HG GLN 23 HG2 GLN 23 3.454 1.686 -7.344 160 2HG GLN 23 HG1 GLN 23 3.425 1.948 -5.602 161 1HE2 GLN 23 HE21 GLN 23 3.885 3.951 -5.101 162 2HE2 GLN 23 HE22 GLN 23 5.036 4.971 -5.889 163 H LYS 24 HN LYS 24 4.756 -1.371 -4.163 164 HA LYS 24 HA LYS 24 2.811 -0.390 -2.453 165 1HB LYS 24 HB2 LYS 24 4.221 -2.982 -2.749 166 2HB LYS 24 HB1 LYS 24 3.359 -2.719 -1.240 167 1HG LYS 24 HG2 LYS 24 2.130 -2.450 -3.974 168 2HG LYS 24 HG1 LYS 24 2.017 -3.885 -2.951 169 1HD LYS 24 HD2 LYS 24 0.218 -2.986 -2.008 170 2HD LYS 24 HD1 LYS 24 1.262 -1.743 -1.316 171 1HE LYS 24 HE2 LYS 24 -0.226 -0.419 -2.428 172 2HE LYS 24 HE1 LYS 24 0.963 -0.665 -3.708 173 1HZ LYS 24 HZ1 LYS 24 -0.411 -2.076 -4.841 174 2HZ LYS 24 HZ2 LYS 24 -1.562 -1.043 -4.154 175 3HZ LYS 24 HZ3 LYS 24 -1.266 -2.558 -3.462 176 H ASN 25 HN ASN 25 6.226 -0.860 -1.898 177 HA ASN 25 HA ASN 25 6.121 -0.618 0.939 178 1HB ASN 25 HB2 ASN 25 8.167 -0.946 -1.107 179 2HB ASN 25 HB1 ASN 25 8.684 0.141 0.180 180 1HD2 ASN 25 HD21 ASN 25 8.118 -0.720 2.432 181 2HD2 ASN 25 HD22 ASN 25 8.485 -2.384 2.712 182 H VAL 26 HN VAL 26 7.162 1.643 -1.625 183 HA VAL 26 HA VAL 26 7.667 3.837 0.009 184 HB VAL 26 HB VAL 26 8.152 3.569 -2.493 185 1HG1 VAL 26 HG11 VAL 26 6.532 4.699 -3.990 186 2HG1 VAL 26 HG12 VAL 26 5.359 4.680 -2.677 187 3HG1 VAL 26 HG13 VAL 26 5.954 3.164 -3.350 188 1HG2 VAL 26 HG21 VAL 26 7.491 6.235 -2.636 189 2HG2 VAL 26 HG22 VAL 26 8.973 5.568 -1.952 190 3HG2 VAL 26 HG23 VAL 26 7.604 5.937 -0.903 191 H LEU 27 HN LEU 27 4.666 2.880 -1.592 192 HA LEU 27 HA LEU 27 3.067 5.046 -0.944 193 1HB LEU 27 HB2 LEU 27 2.314 2.128 -1.108 194 2HB LEU 27 HB1 LEU 27 1.158 3.444 -1.047 195 HG LEU 27 HG LEU 27 3.137 2.882 -3.252 196 1HD1 LEU 27 HD11 LEU 27 0.124 2.883 -3.249 197 2HD1 LEU 27 HD12 LEU 27 1.139 1.441 -3.189 198 3HD1 LEU 27 HD13 LEU 27 1.179 2.490 -4.607 199 1HD2 LEU 27 HD21 LEU 27 1.708 5.328 -2.520 200 2HD2 LEU 27 HD22 LEU 27 1.467 4.820 -4.192 201 3HD2 LEU 27 HD23 LEU 27 3.098 5.095 -3.580 202 H GLY 28 HN GLY 28 3.584 2.074 0.961 203 1HA GLY 28 HA2 GLY 28 1.901 2.750 3.095 204 2HA GLY 28 HA1 GLY 28 3.252 1.631 3.189 205 H GLU 29 HN GLU 29 5.364 3.409 2.642 206 HA GLU 29 HA GLU 29 5.850 4.474 5.191 207 1HB GLU 29 HB2 GLU 29 7.164 4.686 2.524 208 2HB GLU 29 HB1 GLU 29 7.609 5.873 3.742 209 1HG GLU 29 HG2 GLU 29 7.604 3.127 4.730 210 2HG GLU 29 HG1 GLU 29 8.749 3.414 3.420 211 H ARG 30 HN ARG 30 5.124 6.169 2.143 212 HA ARG 30 HA ARG 30 4.854 8.722 3.343 213 1HB ARG 30 HB2 ARG 30 3.742 7.693 0.727 214 2HB ARG 30 HB1 ARG 30 3.819 9.384 1.203 215 1HG ARG 30 HG2 ARG 30 6.198 7.576 0.818 216 2HG ARG 30 HG1 ARG 30 5.617 8.772 -0.341 217 1HD ARG 30 HD2 ARG 30 5.871 10.431 1.647 218 2HD ARG 30 HD1 ARG 30 6.928 9.188 2.315 219 HE ARG 30 HE ARG 30 7.692 9.709 -0.334 220 1HH1 ARG 30 HH11 ARG 30 7.702 11.246 2.801 221 2HH1 ARG 30 HH12 ARG 30 9.096 12.216 2.458 222 1HH2 ARG 30 HH21 ARG 30 9.529 10.984 -0.782 223 2HH2 ARG 30 HH22 ARG 30 10.132 12.067 0.427 224 H LEU 31 HN LEU 31 2.841 5.995 3.370 225 HA LEU 31 HA LEU 31 0.328 7.331 3.431 226 1HB LEU 31 HB2 LEU 31 1.282 4.685 3.287 227 2HB LEU 31 HB1 LEU 31 0.276 4.772 4.709 228 HG LEU 31 HG LEU 31 -1.116 6.064 2.608 229 1HD1 LEU 31 HD11 LEU 31 -1.347 4.093 1.073 230 2HD1 LEU 31 HD12 LEU 31 0.106 3.436 1.827 231 3HD1 LEU 31 HD13 LEU 31 0.179 4.971 0.961 232 1HD2 LEU 31 HD21 LEU 31 -1.689 3.305 3.632 233 2HD2 LEU 31 HD22 LEU 31 -2.825 4.570 3.159 234 3HD2 LEU 31 HD23 LEU 31 -1.905 4.727 4.654 235 H TYR 32 HN TYR 32 2.098 5.518 5.928 236 HA TYR 32 HA TYR 32 0.562 6.218 8.103 237 1HB TYR 32 HB2 TYR 32 2.452 4.518 7.942 238 2HB TYR 32 HB1 TYR 32 3.565 5.852 8.196 239 HD1 TYR 32 HD1 TYR 32 2.946 7.332 10.338 240 HD2 TYR 32 HD2 TYR 32 1.848 3.262 9.775 241 HE1 TYR 32 HE1 TYR 32 2.707 7.067 12.770 242 HE2 TYR 32 HE2 TYR 32 1.607 2.982 12.207 243 HH TYR 32 HH TYR 32 1.278 5.407 14.309 244 H ASN 33 HN ASN 33 3.098 8.092 6.537 245 HA ASN 33 HA ASN 33 3.361 10.037 8.601 246 1HB ASN 33 HB2 ASN 33 5.158 9.756 7.024 247 2HB ASN 33 HB1 ASN 33 4.089 10.085 5.667 248 1HD2 ASN 33 HD21 ASN 33 2.945 12.315 5.876 249 2HD2 ASN 33 HD22 ASN 33 3.987 13.626 6.315 250 H HIS 34 HN HIS 34 1.350 9.881 5.695 251 HA HIS 34 HA HIS 34 0.532 12.558 5.751 252 1HB HIS 34 HB2 HIS 34 -1.272 11.903 4.322 253 2HB HIS 34 HB1 HIS 34 0.147 10.987 3.841 254 HD1 HIS 34 HD1 HIS 34 -0.591 8.723 3.174 255 HD2 HIS 34 HD2 HIS 34 -2.749 10.159 6.393 256 HE1 HIS 34 HE1 HIS 34 -2.090 6.828 3.882 257 HE2 HIS 34 HE2 HIS 34 -3.225 7.663 5.962 258 H ILE 35 HN ILE 35 -0.678 9.715 7.367 259 HA ILE 35 HA ILE 35 -2.779 11.250 8.648 260 HB ILE 35 HB ILE 35 -2.619 8.596 7.748 261 1HG1 ILE 35 HG12 ILE 35 -4.818 9.750 9.455 262 2HG1 ILE 35 HG11 ILE 35 -4.549 10.274 7.797 263 1HG2 ILE 35 HG21 ILE 35 -1.655 8.016 9.901 264 2HG2 ILE 35 HG22 ILE 35 -3.247 7.285 9.671 265 3HG2 ILE 35 HG23 ILE 35 -3.062 8.694 10.718 266 1HD1 ILE 35 HD11 ILE 35 -5.740 7.805 8.833 267 2HD1 ILE 35 HD12 ILE 35 -4.636 7.592 7.473 268 3HD1 ILE 35 HD13 ILE 35 -6.028 8.665 7.320 269 H VAL 36 HN VAL 36 0.266 9.677 9.505 270 HA VAL 36 HA VAL 36 -0.002 9.309 12.192 271 HB VAL 36 HB VAL 36 2.104 8.872 10.965 272 1HG1 VAL 36 HG11 VAL 36 2.202 11.099 9.833 273 2HG1 VAL 36 HG12 VAL 36 3.718 10.572 10.559 274 3HG1 VAL 36 HG13 VAL 36 2.729 11.786 11.369 275 1HG2 VAL 36 HG21 VAL 36 3.426 8.980 12.842 276 2HG2 VAL 36 HG22 VAL 36 1.815 9.151 13.539 277 3HG2 VAL 36 HG23 VAL 36 2.827 10.576 13.300 278 H ALA 37 HN ALA 37 0.808 12.420 10.653 279 HA ALA 37 HA ALA 37 0.729 13.876 13.114 280 1HB ALA 37 HB1 ALA 37 1.876 14.414 10.789 281 2HB ALA 37 HB2 ALA 37 1.369 15.695 11.891 282 3HB ALA 37 HB3 ALA 37 0.355 15.263 10.515 283 H ILE 38 HN ILE 38 -1.618 12.830 10.830 284 HA ILE 38 HA ILE 38 -3.600 14.792 11.728 285 HB ILE 38 HB ILE 38 -3.734 12.664 9.591 286 1HG1 ILE 38 HG12 ILE 38 -3.896 14.577 8.070 287 2HG1 ILE 38 HG11 ILE 38 -3.842 15.685 9.434 288 1HG2 ILE 38 HG21 ILE 38 -5.929 13.027 10.798 289 2HG2 ILE 38 HG22 ILE 38 -5.947 13.319 9.060 290 3HG2 ILE 38 HG23 ILE 38 -5.890 14.679 10.182 291 1HD1 ILE 38 HD11 ILE 38 -1.586 13.802 9.168 292 2HD1 ILE 38 HD12 ILE 38 -1.606 15.490 9.675 293 3HD1 ILE 38 HD13 ILE 38 -1.713 15.082 7.963 294 H ASN 39 HN ASN 39 -3.674 11.233 11.319 295 HA ASN 39 HA ASN 39 -5.242 11.088 13.812 296 1HB ASN 39 HB2 ASN 39 -5.648 9.695 11.190 297 2HB ASN 39 HB1 ASN 39 -6.174 8.925 12.682 298 1HD2 ASN 39 HD21 ASN 39 -7.886 9.785 13.825 299 2HD2 ASN 39 HD22 ASN 39 -8.943 10.978 13.156 300 HA PRO 40 HA PRO 40 -1.251 8.852 14.542 301 1HB PRO 40 HB2 PRO 40 -2.376 9.209 17.280 302 2HB PRO 40 HB1 PRO 40 -0.723 9.449 16.703 303 1HG PRO 40 HG2 PRO 40 -2.303 11.533 17.200 304 2HG PRO 40 HG1 PRO 40 -1.194 11.539 15.816 305 1HD PRO 40 HD2 PRO 40 -4.152 11.156 15.874 306 2HD PRO 40 HD1 PRO 40 -3.138 11.958 14.656 307 H ALA 41 HN ALA 41 -4.476 8.335 15.903 308 HA ALA 41 HA ALA 41 -3.888 5.522 16.386 309 1HB ALA 41 HB1 ALA 41 -5.715 5.462 17.760 310 2HB ALA 41 HB2 ALA 41 -6.595 6.673 16.828 311 3HB ALA 41 HB3 ALA 41 -5.282 7.166 17.896 312 H ALA 42 HN ALA 42 -3.686 5.970 13.748 313 HA ALA 42 HA ALA 42 -5.779 4.314 12.692 314 1HB ALA 42 HB1 ALA 42 -6.971 6.314 12.363 315 2HB ALA 42 HB2 ALA 42 -6.258 5.928 10.798 316 3HB ALA 42 HB3 ALA 42 -5.534 7.177 11.813 317 H ALA 43 HN ALA 43 -2.998 6.398 11.983 318 HA ALA 43 HA ALA 43 -2.109 5.562 9.574 319 1HB ALA 43 HB1 ALA 43 0.124 5.485 11.375 320 2HB ALA 43 HB2 ALA 43 -0.955 6.807 11.800 321 3HB ALA 43 HB3 ALA 43 -0.294 6.695 10.168 322 H ALA 44 HN ALA 44 -1.300 3.878 12.615 323 HA ALA 44 HA ALA 44 0.074 1.753 11.527 324 1HB ALA 44 HB1 ALA 44 0.217 1.942 13.837 325 2HB ALA 44 HB2 ALA 44 -0.769 0.496 13.611 326 3HB ALA 44 HB3 ALA 44 -1.534 2.029 14.033 327 H LYS 45 HN LYS 45 -3.387 2.238 11.786 328 HA LYS 45 HA LYS 45 -3.974 -0.453 10.895 329 1HB LYS 45 HB2 LYS 45 -5.694 1.914 11.592 330 2HB LYS 45 HB1 LYS 45 -6.367 0.451 10.885 331 1HG LYS 45 HG2 LYS 45 -4.653 0.142 13.279 332 2HG LYS 45 HG1 LYS 45 -6.254 0.848 13.502 333 1HD LYS 45 HD2 LYS 45 -6.725 -1.387 13.765 334 2HD LYS 45 HD1 LYS 45 -7.025 -1.183 12.039 335 1HE LYS 45 HE2 LYS 45 -5.741 -3.189 12.390 336 2HE LYS 45 HE1 LYS 45 -4.734 -1.992 11.582 337 1HZ LYS 45 HZ1 LYS 45 -3.784 -1.449 13.784 338 2HZ LYS 45 HZ2 LYS 45 -3.474 -3.039 13.303 339 3HZ LYS 45 HZ3 LYS 45 -4.668 -2.724 14.459 340 H VAL 46 HN VAL 46 -4.388 2.829 9.670 341 HA VAL 46 HA VAL 46 -5.502 2.162 7.189 342 HB VAL 46 HB VAL 46 -3.790 4.567 7.822 343 1HG1 VAL 46 HG11 VAL 46 -4.732 5.614 5.983 344 2HG1 VAL 46 HG12 VAL 46 -6.062 4.465 5.877 345 3HG1 VAL 46 HG13 VAL 46 -4.435 3.980 5.399 346 1HG2 VAL 46 HG21 VAL 46 -5.621 4.278 9.450 347 2HG2 VAL 46 HG22 VAL 46 -6.769 4.249 8.119 348 3HG2 VAL 46 HG23 VAL 46 -5.832 5.708 8.441 349 H THR 47 HN THR 47 -2.135 2.715 8.153 350 HA THR 47 HA THR 47 -1.030 2.454 5.571 351 HB THR 47 HB THR 47 0.345 1.868 8.195 352 HG1 THR 47 HG1 THR 47 0.251 4.352 6.847 353 1HG2 THR 47 HG21 THR 47 1.998 1.343 6.754 354 2HG2 THR 47 HG22 THR 47 2.192 3.094 6.710 355 3HG2 THR 47 HG23 THR 47 1.291 2.277 5.435 356 H GLY 48 HN GLY 48 -1.191 0.091 8.238 357 1HA GLY 48 HA2 GLY 48 -0.038 -2.019 6.723 358 2HA GLY 48 HA1 GLY 48 -0.884 -2.187 8.253 359 H MET 49 HN MET 49 -3.385 -1.386 7.728 360 HA MET 49 HA MET 49 -4.427 -3.605 6.300 361 1HB MET 49 HB2 MET 49 -5.871 -1.113 7.221 362 2HB MET 49 HB1 MET 49 -6.615 -2.637 6.766 363 1HG MET 49 HG2 MET 49 -4.781 -2.200 9.112 364 2HG MET 49 HG1 MET 49 -6.535 -2.369 9.180 365 1HE MET 49 HE1 MET 49 -3.469 -3.670 9.811 366 2HE MET 49 HE2 MET 49 -3.436 -5.416 9.569 367 3HE MET 49 HE3 MET 49 -4.390 -4.727 10.883 368 H LEU 50 HN LEU 50 -4.375 -0.110 5.651 369 HA LEU 50 HA LEU 50 -5.342 0.945 3.763 370 1HB LEU 50 HB2 LEU 50 -2.952 1.269 3.765 371 2HB LEU 50 HB1 LEU 50 -2.704 -0.256 2.942 372 HG LEU 50 HG LEU 50 -4.087 0.761 1.025 373 1HD1 LEU 50 HD11 LEU 50 -4.813 2.859 1.151 374 2HD1 LEU 50 HD12 LEU 50 -3.216 3.441 1.621 375 3HD1 LEU 50 HD13 LEU 50 -4.340 2.862 2.850 376 1HD2 LEU 50 HD21 LEU 50 -2.145 1.541 -0.014 377 2HD2 LEU 50 HD22 LEU 50 -1.560 0.388 1.189 378 3HD2 LEU 50 HD23 LEU 50 -1.459 2.119 1.504 379 H LEU 51 HN LEU 51 -3.817 -1.987 2.350 380 HA LEU 51 HA LEU 51 -5.688 -2.038 0.218 381 1HB LEU 51 HB2 LEU 51 -3.658 -4.045 1.180 382 2HB LEU 51 HB1 LEU 51 -4.625 -4.264 -0.267 383 HG LEU 51 HG LEU 51 -3.337 -1.706 -0.376 384 1HD1 LEU 51 HD11 LEU 51 -1.673 -3.938 0.607 385 2HD1 LEU 51 HD12 LEU 51 -1.503 -2.199 0.844 386 3HD1 LEU 51 HD13 LEU 51 -1.003 -2.933 -0.677 387 1HD2 LEU 51 HD21 LEU 51 -2.405 -3.888 -2.113 388 2HD2 LEU 51 HD22 LEU 51 -3.032 -2.292 -2.528 389 3HD2 LEU 51 HD23 LEU 51 -4.145 -3.598 -2.123 390 H GLU 52 HN GLU 52 -7.567 -1.942 1.768 391 HA GLU 52 HA GLU 52 -8.295 -4.565 2.837 392 1HB GLU 52 HB2 GLU 52 -9.593 -1.847 3.137 393 2HB GLU 52 HB1 GLU 52 -10.213 -3.326 3.851 394 1HG GLU 52 HG2 GLU 52 -7.420 -2.461 4.428 395 2HG GLU 52 HG1 GLU 52 -8.773 -1.703 5.264 396 H MET 53 HN MET 53 -10.956 -4.658 2.637 397 HA MET 53 HA MET 53 -11.380 -5.394 -0.059 398 1HB MET 53 HB2 MET 53 -13.398 -4.977 2.154 399 2HB MET 53 HB1 MET 53 -13.712 -5.801 0.632 400 1HG MET 53 HG2 MET 53 -11.659 -6.688 2.642 401 2HG MET 53 HG1 MET 53 -13.305 -7.313 2.558 402 1HE MET 53 HE1 MET 53 -14.181 -7.657 -0.028 403 2HE MET 53 HE2 MET 53 -14.027 -9.282 0.641 404 3HE MET 53 HE3 MET 53 -13.395 -8.928 -0.967 405 H ASP 54 HN ASP 54 -13.036 -2.837 1.835 406 HA ASP 54 HA ASP 54 -13.865 -1.580 -0.646 407 1HB ASP 54 HB2 ASP 54 -15.015 0.031 0.906 408 2HB ASP 54 HB1 ASP 54 -15.587 -1.627 0.945 409 H ASN 55 HN ASN 55 -12.535 -0.130 2.333 410 HA ASN 55 HA ASN 55 -11.582 2.187 1.261 411 1HB ASN 55 HB2 ASN 55 -11.536 1.872 3.635 412 2HB ASN 55 HB1 ASN 55 -10.432 0.512 3.495 413 1HD2 ASN 55 HD21 ASN 55 -10.163 3.527 1.716 414 2HD2 ASN 55 HD22 ASN 55 -8.703 4.057 2.470 415 H GLY 56 HN GLY 56 -10.228 -1.008 0.937 416 1HA GLY 56 HA2 GLY 56 -7.625 -0.274 0.170 417 2HA GLY 56 HA1 GLY 56 -8.414 -1.787 -0.226 418 H GLU 57 HN GLU 57 -10.209 -1.486 -1.991 419 HA GLU 57 HA GLU 57 -9.187 -1.117 -4.419 420 1HB GLU 57 HB2 GLU 57 -11.899 0.008 -3.739 421 2HB GLU 57 HB1 GLU 57 -11.356 -0.586 -5.298 422 1HG GLU 57 HG2 GLU 57 -11.727 -2.237 -2.817 423 2HG GLU 57 HG1 GLU 57 -12.828 -2.173 -4.187 424 H ILE 58 HN ILE 58 -10.734 1.603 -2.703 425 HA ILE 58 HA ILE 58 -10.207 3.589 -4.555 426 HB ILE 58 HB ILE 58 -10.298 3.849 -1.548 427 1HG1 ILE 58 HG12 ILE 58 -12.439 4.168 -3.664 428 2HG1 ILE 58 HG11 ILE 58 -12.322 2.853 -2.499 429 1HG2 ILE 58 HG21 ILE 58 -9.256 5.804 -2.510 430 2HG2 ILE 58 HG22 ILE 58 -10.892 6.206 -1.988 431 3HG2 ILE 58 HG23 ILE 58 -10.550 5.947 -3.700 432 1HD1 ILE 58 HD11 ILE 58 -12.437 5.592 -1.404 433 2HD1 ILE 58 HD12 ILE 58 -13.161 4.098 -0.812 434 3HD1 ILE 58 HD13 ILE 58 -13.901 4.964 -2.158 435 H LEU 59 HN LEU 59 -8.186 2.518 -1.843 436 HA LEU 59 HA LEU 59 -6.148 4.231 -1.733 437 1HB LEU 59 HB2 LEU 59 -4.856 2.555 -0.866 438 2HB LEU 59 HB1 LEU 59 -6.451 1.862 -0.707 439 HG LEU 59 HG LEU 59 -5.884 0.785 -3.051 440 1HD1 LEU 59 HD11 LEU 59 -3.777 1.823 -3.476 441 2HD1 LEU 59 HD12 LEU 59 -3.452 0.142 -3.066 442 3HD1 LEU 59 HD13 LEU 59 -3.179 1.409 -1.871 443 1HD2 LEU 59 HD21 LEU 59 -5.613 -1.155 -1.922 444 2HD2 LEU 59 HD22 LEU 59 -6.099 -0.140 -0.564 445 3HD2 LEU 59 HD23 LEU 59 -4.396 -0.479 -0.838 446 H ASN 60 HN ASN 60 -6.681 1.960 -4.360 447 HA ASN 60 HA ASN 60 -4.329 2.058 -5.742 448 1HB ASN 60 HB2 ASN 60 -6.853 1.142 -6.282 449 2HB ASN 60 HB1 ASN 60 -6.664 2.407 -7.492 450 1HD2 ASN 60 HD21 ASN 60 -6.699 0.778 -9.093 451 2HD2 ASN 60 HD22 ASN 60 -5.299 -0.180 -9.416 452 H LEU 61 HN LEU 61 -6.608 4.639 -5.317 453 HA LEU 61 HA LEU 61 -5.032 6.335 -7.135 454 1HB LEU 61 HB2 LEU 61 -7.787 7.040 -6.211 455 2HB LEU 61 HB1 LEU 61 -6.948 7.550 -7.663 456 HG LEU 61 HG LEU 61 -7.323 4.705 -7.735 457 1HD1 LEU 61 HD11 LEU 61 -9.312 4.407 -6.808 458 2HD1 LEU 61 HD12 LEU 61 -9.995 5.462 -8.044 459 3HD1 LEU 61 HD13 LEU 61 -9.486 6.134 -6.496 460 1HD2 LEU 61 HD21 LEU 61 -7.200 5.448 -9.839 461 2HD2 LEU 61 HD22 LEU 61 -7.747 7.066 -9.398 462 3HD2 LEU 61 HD23 LEU 61 -8.925 5.783 -9.674 463 H LEU 62 HN LEU 62 -3.956 5.994 -4.665 464 HA LEU 62 HA LEU 62 -4.516 7.242 -2.435 465 1HB LEU 62 HB2 LEU 62 -1.975 7.650 -3.985 466 2HB LEU 62 HB1 LEU 62 -2.164 8.111 -2.304 467 HG LEU 62 HG LEU 62 -2.806 5.314 -3.026 468 1HD1 LEU 62 HD11 LEU 62 -0.848 5.357 -4.249 469 2HD1 LEU 62 HD12 LEU 62 -0.302 4.834 -2.654 470 3HD1 LEU 62 HD13 LEU 62 -0.073 6.508 -3.160 471 1HD2 LEU 62 HD21 LEU 62 -1.118 6.215 -0.742 472 2HD2 LEU 62 HD22 LEU 62 -2.254 4.868 -0.838 473 3HD2 LEU 62 HD23 LEU 62 -2.854 6.522 -0.707 474 H ASP 63 HN ASP 63 -6.008 8.857 -2.463 475 HA ASP 63 HA ASP 63 -5.180 11.435 -3.621 476 1HB ASP 63 HB2 ASP 63 -7.659 9.987 -3.725 477 2HB ASP 63 HB1 ASP 63 -7.918 11.541 -2.940 478 H THR 64 HN THR 64 -5.961 13.390 -2.430 479 HA THR 64 HA THR 64 -5.165 13.182 0.308 480 HB THR 64 HB THR 64 -6.333 15.540 -1.181 481 HG1 THR 64 HG1 THR 64 -4.135 16.175 -1.298 482 1HG2 THR 64 HG21 THR 64 -5.077 15.308 1.519 483 2HG2 THR 64 HG22 THR 64 -6.558 16.140 1.045 484 3HG2 THR 64 HG23 THR 64 -4.990 16.807 0.591 485 HA PRO 65 HA PRO 65 -9.744 14.121 1.238 486 1HB PRO 65 HB2 PRO 65 -11.570 13.991 -0.759 487 2HB PRO 65 HB1 PRO 65 -10.704 15.469 -0.334 488 1HG PRO 65 HG2 PRO 65 -10.287 13.620 -2.617 489 2HG PRO 65 HG1 PRO 65 -10.037 15.369 -2.523 490 1HD PRO 65 HD2 PRO 65 -8.040 13.431 -2.387 491 2HD PRO 65 HD1 PRO 65 -7.882 15.121 -1.877 492 H GLY 66 HN GLY 66 -10.289 12.055 -1.617 493 1HA GLY 66 HA2 GLY 66 -11.958 10.205 -0.532 494 2HA GLY 66 HA1 GLY 66 -10.803 9.821 -1.800 495 H LEU 67 HN LEU 67 -8.431 9.697 -0.759 496 HA LEU 67 HA LEU 67 -8.362 7.329 0.699 497 1HB LEU 67 HB2 LEU 67 -6.547 9.178 -0.438 498 2HB LEU 67 HB1 LEU 67 -6.005 8.862 1.189 499 HG LEU 67 HG LEU 67 -5.040 7.425 -0.677 500 1HD1 LEU 67 HD11 LEU 67 -5.960 5.326 0.960 501 2HD1 LEU 67 HD12 LEU 67 -5.811 6.758 1.973 502 3HD1 LEU 67 HD13 LEU 67 -4.426 6.192 1.045 503 1HD2 LEU 67 HD21 LEU 67 -6.366 6.213 -1.976 504 2HD2 LEU 67 HD22 LEU 67 -7.749 7.011 -1.227 505 3HD2 LEU 67 HD23 LEU 67 -7.155 5.483 -0.576 506 H LEU 68 HN LEU 68 -7.199 10.467 1.981 507 HA LEU 68 HA LEU 68 -6.992 9.861 4.611 508 1HB LEU 68 HB2 LEU 68 -7.436 12.300 3.116 509 2HB LEU 68 HB1 LEU 68 -8.144 12.392 4.710 510 HG LEU 68 HG LEU 68 -5.892 11.697 5.632 511 1HD1 LEU 68 HD11 LEU 68 -4.308 11.041 4.227 512 2HD1 LEU 68 HD12 LEU 68 -4.273 12.661 3.537 513 3HD1 LEU 68 HD13 LEU 68 -5.329 11.430 2.843 514 1HD2 LEU 68 HD21 LEU 68 -5.803 13.872 6.072 515 2HD2 LEU 68 HD22 LEU 68 -6.814 14.227 4.670 516 3HD2 LEU 68 HD23 LEU 68 -5.062 14.142 4.494 517 H ASP 69 HN ASP 69 -9.993 10.323 2.881 518 HA ASP 69 HA ASP 69 -11.623 10.468 5.238 519 1HB ASP 69 HB2 ASP 69 -12.010 10.736 2.400 520 2HB ASP 69 HB1 ASP 69 -13.207 9.626 3.053 521 H ALA 70 HN ALA 70 -11.317 8.002 2.677 522 HA ALA 70 HA ALA 70 -12.684 6.020 4.187 523 1HB ALA 70 HB1 ALA 70 -12.790 5.774 1.860 524 2HB ALA 70 HB2 ALA 70 -11.735 4.472 2.407 525 3HB ALA 70 HB3 ALA 70 -11.041 5.921 1.679 526 H LYS 71 HN LYS 71 -9.635 7.283 4.629 527 HA LYS 71 HA LYS 71 -8.258 4.847 5.298 528 1HB LYS 71 HB2 LYS 71 -7.638 7.771 5.493 529 2HB LYS 71 HB1 LYS 71 -6.645 6.608 6.363 530 1HG LYS 71 HG2 LYS 71 -6.341 5.424 4.141 531 2HG LYS 71 HG1 LYS 71 -7.041 6.860 3.401 532 1HD LYS 71 HD2 LYS 71 -4.874 7.350 5.332 533 2HD LYS 71 HD1 LYS 71 -4.392 6.527 3.847 534 1HE LYS 71 HE2 LYS 71 -6.059 8.590 3.028 535 2HE LYS 71 HE1 LYS 71 -5.082 9.302 4.298 536 1HZ LYS 71 HZ1 LYS 71 -4.343 9.051 1.712 537 2HZ LYS 71 HZ2 LYS 71 -3.583 7.718 2.416 538 3HZ LYS 71 HZ3 LYS 71 -3.279 9.276 3.002 539 H VAL 72 HN VAL 72 -9.392 7.655 7.181 540 HA VAL 72 HA VAL 72 -8.988 6.293 9.673 541 HB VAL 72 HB VAL 72 -10.185 8.281 10.655 542 1HG1 VAL 72 HG11 VAL 72 -7.983 8.686 10.853 543 2HG1 VAL 72 HG12 VAL 72 -8.280 9.874 9.582 544 3HG1 VAL 72 HG13 VAL 72 -7.651 8.277 9.170 545 1HG2 VAL 72 HG21 VAL 72 -10.536 10.225 9.198 546 2HG2 VAL 72 HG22 VAL 72 -11.566 8.870 8.740 547 3HG2 VAL 72 HG23 VAL 72 -10.125 9.241 7.794 548 H GLN 73 HN GLN 73 -11.816 7.222 7.729 549 HA GLN 73 HA GLN 73 -13.807 6.407 9.472 550 1HB GLN 73 HB2 GLN 73 -13.777 6.278 6.455 551 2HB GLN 73 HB1 GLN 73 -15.218 6.156 7.455 552 1HG GLN 73 HG2 GLN 73 -13.394 8.531 7.181 553 2HG GLN 73 HG1 GLN 73 -15.047 8.382 6.587 554 1HE2 GLN 73 HE21 GLN 73 -15.819 6.955 9.113 555 2HE2 GLN 73 HE22 GLN 73 -15.978 8.209 10.288 556 H GLU 74 HN GLU 74 -12.367 4.504 6.812 557 HA GLU 74 HA GLU 74 -13.710 2.109 7.475 558 1HB GLU 74 HB2 GLU 74 -12.795 2.456 5.261 559 2HB GLU 74 HB1 GLU 74 -11.166 2.564 5.913 560 1HG GLU 74 HG2 GLU 74 -12.707 0.088 6.444 561 2HG GLU 74 HG1 GLU 74 -12.100 0.352 4.810 562 H ALA 75 HN ALA 75 -10.454 3.295 8.221 563 HA ALA 75 HA ALA 75 -9.470 1.042 9.528 564 1HB ALA 75 HB1 ALA 75 -7.944 2.633 10.689 565 2HB ALA 75 HB2 ALA 75 -8.872 3.960 9.987 566 3HB ALA 75 HB3 ALA 75 -8.001 2.840 8.939 567 H LEU 76 HN LEU 76 -11.150 3.863 10.902 568 HA LEU 76 HA LEU 76 -11.193 2.775 13.542 569 1HB LEU 76 HB2 LEU 76 -12.293 5.177 12.194 570 2HB LEU 76 HB1 LEU 76 -13.087 4.665 13.671 571 HG LEU 76 HG LEU 76 -10.194 5.456 13.350 572 1HD1 LEU 76 HD11 LEU 76 -10.700 7.404 14.420 573 2HD1 LEU 76 HD12 LEU 76 -12.084 6.712 15.267 574 3HD1 LEU 76 HD13 LEU 76 -12.215 7.133 13.559 575 1HD2 LEU 76 HD21 LEU 76 -11.627 4.042 15.546 576 2HD2 LEU 76 HD22 LEU 76 -10.376 5.215 15.957 577 3HD2 LEU 76 HD23 LEU 76 -9.982 3.824 14.947 578 H GLU 77 HN GLU 77 -13.221 2.465 10.757 579 HA GLU 77 HA GLU 77 -15.607 1.708 12.120 580 1HB GLU 77 HB2 GLU 77 -14.907 2.250 9.481 581 2HB GLU 77 HB1 GLU 77 -15.314 0.546 9.470 582 1HG GLU 77 HG2 GLU 77 -17.322 1.780 10.968 583 2HG GLU 77 HG1 GLU 77 -17.036 2.837 9.587 584 H VAL 78 HN VAL 78 -13.150 -0.173 10.357 585 HA VAL 78 HA VAL 78 -14.205 -2.653 11.375 586 HB VAL 78 HB VAL 78 -13.218 -2.480 9.097 587 1HG1 VAL 78 HG11 VAL 78 -10.534 -2.448 10.455 588 2HG1 VAL 78 HG12 VAL 78 -11.315 -0.984 9.854 589 3HG1 VAL 78 HG13 VAL 78 -10.894 -2.283 8.735 590 1HG2 VAL 78 HG21 VAL 78 -11.525 -4.444 10.546 591 2HG2 VAL 78 HG22 VAL 78 -12.522 -4.653 9.108 592 3HG2 VAL 78 HG23 VAL 78 -13.277 -4.580 10.700 593 H LEU 79 HN LEU 79 -11.237 -0.736 11.849 594 HA LEU 79 HA LEU 79 -9.650 -0.781 13.485 595 1HB LEU 79 HB2 LEU 79 -12.122 -0.774 14.713 596 2HB LEU 79 HB1 LEU 79 -11.305 -2.113 15.495 597 HG LEU 79 HG LEU 79 -9.412 -0.535 16.013 598 1HD1 LEU 79 HD11 LEU 79 -9.933 1.868 15.952 599 2HD1 LEU 79 HD12 LEU 79 -11.420 1.507 15.073 600 3HD1 LEU 79 HD13 LEU 79 -9.855 1.157 14.339 601 1HD2 LEU 79 HD21 LEU 79 -12.079 0.278 17.153 602 2HD2 LEU 79 HD22 LEU 79 -10.498 0.398 17.929 603 3HD2 LEU 79 HD23 LEU 79 -11.211 -1.187 17.615 604 H ASN 80 HN ASN 80 -9.084 -2.535 15.551 605 HA ASN 80 HA ASN 80 -7.871 -4.678 14.177 606 1HB ASN 80 HB2 ASN 80 -8.367 -4.601 17.150 607 2HB ASN 80 HB1 ASN 80 -7.049 -5.389 16.290 608 1HD2 ASN 80 HD21 ASN 80 -5.210 -4.401 16.587 609 2HD2 ASN 80 HD22 ASN 80 -4.968 -2.695 16.711 610 H ARG 81 HN ARG 81 -11.082 -4.329 14.835 611 HA ARG 81 HA ARG 81 -11.799 -6.890 15.792 612 1HB ARG 81 HB2 ARG 81 -13.569 -5.244 14.010 613 2HB ARG 81 HB1 ARG 81 -14.017 -6.264 15.368 614 1HG ARG 81 HG2 ARG 81 -12.362 -4.290 16.446 615 2HG ARG 81 HG1 ARG 81 -13.414 -3.453 15.304 616 1HD ARG 81 HD2 ARG 81 -14.385 -3.518 17.548 617 2HD ARG 81 HD1 ARG 81 -15.374 -4.400 16.389 618 HE ARG 81 HE ARG 81 -13.737 -5.558 18.526 619 1HH1 ARG 81 HH11 ARG 81 -16.036 -6.005 15.928 620 2HH1 ARG 81 HH12 ARG 81 -16.457 -7.611 16.417 621 1HH2 ARG 81 HH21 ARG 81 -14.290 -7.665 19.159 622 2HH2 ARG 81 HH22 ARG 81 -15.467 -8.554 18.252 623 H HIS 82 HN HIS 82 -9.880 -7.034 13.635 624 HA HIS 82 HA HIS 82 -11.191 -7.908 11.255 625 1HB HIS 82 HB2 HIS 82 -8.567 -7.199 12.041 626 2HB HIS 82 HB1 HIS 82 -8.485 -8.876 11.496 627 HD1 HIS 82 HD1 HIS 82 -7.262 -8.368 9.321 628 HD2 HIS 82 HD2 HIS 82 -10.839 -6.294 9.722 629 HE1 HIS 82 HE1 HIS 82 -7.701 -7.346 7.066 630 HE2 HIS 82 HE2 HIS 82 -9.822 -6.016 7.361 631 H MET 83 HN MET 83 -9.800 -9.422 14.108 632 HA MET 83 HA MET 83 -9.854 -12.088 13.223 633 1HB MET 83 HB2 MET 83 -9.008 -10.812 15.493 634 2HB MET 83 HB1 MET 83 -10.429 -11.665 16.080 635 1HG MET 83 HG2 MET 83 -8.598 -13.089 16.457 636 2HG MET 83 HG1 MET 83 -9.455 -13.754 15.069 637 1HE MET 83 HE1 MET 83 -6.487 -12.951 16.679 638 2HE MET 83 HE2 MET 83 -5.990 -11.479 15.843 639 3HE MET 83 HE3 MET 83 -5.191 -13.010 15.482 640 H ASN 84 HN ASN 84 -11.310 -13.750 14.449 641 HA ASN 84 HA ASN 84 -14.098 -12.859 14.129 642 1HB ASN 84 HB2 ASN 84 -12.801 -15.539 13.649 643 2HB ASN 84 HB1 ASN 84 -14.547 -15.343 13.761 644 1HD2 ASN 84 HD21 ASN 84 -15.618 -14.094 12.185 645 2HD2 ASN 84 HD22 ASN 84 -14.916 -13.829 10.628 646 H VAL 85 HN VAL 85 -14.548 -12.243 16.217 647 HA VAL 85 HA VAL 85 -14.434 -14.388 18.234 648 HB VAL 85 HB VAL 85 -12.841 -12.545 18.718 649 1HG1 VAL 85 HG11 VAL 85 -15.149 -10.924 18.132 650 2HG1 VAL 85 HG12 VAL 85 -13.462 -10.449 18.320 651 3HG1 VAL 85 HG13 VAL 85 -14.511 -10.549 19.734 652 1HG2 VAL 85 HG21 VAL 85 -15.128 -12.821 20.665 653 2HG2 VAL 85 HG22 VAL 85 -13.511 -12.238 21.056 654 3HG2 VAL 85 HG23 VAL 85 -13.742 -13.902 20.523 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 16.386 -3.021 -35.480 2 2H GLY 1 HT2 GLY 1 15.978 -3.764 -34.015 3 3H GLY 1 HT3 GLY 1 16.343 -2.112 -34.053 4 1HA GLY 1 HA1 GLY 1 14.169 -1.745 -34.190 5 2HA GLY 1 HA2 GLY 1 14.326 -2.299 -35.850 6 H SER 2 HN SER 2 12.025 -2.517 -34.110 7 HA SER 2 HA SER 2 10.391 -4.014 -33.599 8 1HB SER 2 HB2 SER 2 12.031 -5.467 -35.615 9 2HB SER 2 HB1 SER 2 10.861 -6.408 -34.693 10 HG SER 2 HG SER 2 9.969 -5.537 -36.621 11 H SER 3 HN SER 3 11.077 -3.913 -31.383 12 HA SER 3 HA SER 3 11.953 -6.519 -30.408 13 1HB SER 3 HB2 SER 3 13.813 -4.538 -30.580 14 2HB SER 3 HB1 SER 3 13.185 -4.265 -28.955 15 HG SER 3 HG SER 3 13.841 -6.255 -28.353 16 H LEU 4 HN LEU 4 9.392 -5.680 -30.344 17 HA LEU 4 HA LEU 4 8.908 -4.551 -27.688 18 1HB LEU 4 HB2 LEU 4 7.313 -4.839 -30.179 19 2HB LEU 4 HB1 LEU 4 6.440 -4.862 -28.658 20 HG LEU 4 HG LEU 4 8.268 -2.637 -29.562 21 1HD1 LEU 4 HD11 LEU 4 6.545 -2.070 -30.866 22 2HD1 LEU 4 HD12 LEU 4 5.732 -1.618 -29.369 23 3HD1 LEU 4 HD13 LEU 4 5.455 -3.208 -30.077 24 1HD2 LEU 4 HD21 LEU 4 8.222 -2.761 -27.171 25 2HD2 LEU 4 HD22 LEU 4 6.469 -2.939 -27.164 26 3HD2 LEU 4 HD23 LEU 4 7.196 -1.416 -27.674 27 H ALA 5 HN ALA 5 9.876 -7.347 -28.266 28 HA ALA 5 HA ALA 5 7.690 -9.081 -27.591 29 1HB ALA 5 HB1 ALA 5 10.503 -9.372 -28.307 30 2HB ALA 5 HB2 ALA 5 9.132 -10.433 -28.633 31 3HB ALA 5 HB3 ALA 5 9.968 -10.526 -27.083 32 H SER 6 HN SER 6 7.162 -9.954 -25.641 33 HA SER 6 HA SER 6 8.023 -8.542 -23.295 34 1HB SER 6 HB2 SER 6 6.373 -11.033 -23.151 35 2HB SER 6 HB1 SER 6 6.247 -9.552 -22.203 36 HG SER 6 HG SER 6 4.593 -9.376 -23.576 37 H GLN 7 HN GLN 7 8.650 -11.678 -24.732 38 HA GLN 7 HA GLN 7 10.107 -12.603 -22.399 39 1HB GLN 7 HB2 GLN 7 10.390 -14.672 -23.640 40 2HB GLN 7 HB1 GLN 7 8.708 -14.168 -23.681 41 1HG GLN 7 HG2 GLN 7 8.720 -14.229 -25.888 42 2HG GLN 7 HG1 GLN 7 10.037 -13.058 -25.936 43 1HE2 GLN 7 HE21 GLN 7 12.058 -13.724 -26.424 44 2HE2 GLN 7 HE22 GLN 7 12.474 -15.354 -26.820 45 H GLY 8 HN GLY 8 11.145 -10.249 -23.725 46 1HA GLY 8 HA2 GLY 8 13.616 -11.288 -24.943 47 2HA GLY 8 HA1 GLY 8 13.001 -9.652 -25.134 48 H GLN 9 HN GLN 9 15.360 -9.286 -24.552 49 HA GLN 9 HA GLN 9 16.031 -9.609 -21.761 50 1HB GLN 9 HB2 GLN 9 18.104 -8.353 -22.409 51 2HB GLN 9 HB1 GLN 9 17.831 -9.838 -23.310 52 1HG GLN 9 HG2 GLN 9 17.410 -8.743 -25.265 53 2HG GLN 9 HG1 GLN 9 16.813 -7.295 -24.453 54 1HE2 GLN 9 HE21 GLN 9 19.733 -9.144 -25.146 55 2HE2 GLN 9 HE22 GLN 9 20.810 -7.792 -25.132 56 H ASN 10 HN ASN 10 13.797 -7.745 -22.868 57 HA ASN 10 HA ASN 10 14.532 -5.100 -22.242 58 1HB ASN 10 HB2 ASN 10 12.347 -6.299 -23.378 59 2HB ASN 10 HB1 ASN 10 11.708 -5.800 -21.817 60 1HD2 ASN 10 HD21 ASN 10 12.242 -4.869 -24.939 61 2HD2 ASN 10 HD22 ASN 10 12.119 -3.157 -24.746 62 H LEU 11 HN LEU 11 14.072 -7.772 -20.228 63 HA LEU 11 HA LEU 11 13.003 -6.360 -17.961 64 1HB LEU 11 HB2 LEU 11 14.285 -9.086 -18.140 65 2HB LEU 11 HB1 LEU 11 13.423 -8.458 -16.750 66 HG LEU 11 HG LEU 11 11.843 -8.399 -19.215 67 1HD1 LEU 11 HD11 LEU 11 11.456 -10.992 -18.752 68 2HD1 LEU 11 HD12 LEU 11 13.169 -10.897 -18.341 69 3HD1 LEU 11 HD13 LEU 11 12.618 -10.403 -19.942 70 1HD2 LEU 11 HD21 LEU 11 10.628 -7.987 -17.302 71 2HD2 LEU 11 HD22 LEU 11 11.507 -9.188 -16.355 72 3HD2 LEU 11 HD23 LEU 11 10.321 -9.707 -17.554 73 H SER 12 HN SER 12 16.135 -7.969 -18.584 74 HA SER 12 HA SER 12 17.433 -6.969 -16.314 75 1HB SER 12 HB2 SER 12 18.453 -8.804 -17.414 76 2HB SER 12 HB1 SER 12 18.474 -7.965 -18.964 77 HG SER 12 HG SER 12 19.873 -6.877 -16.783 78 H THR 13 HN THR 13 16.881 -5.556 -19.458 79 HA THR 13 HA THR 13 18.803 -3.495 -19.315 80 HB THR 13 HB THR 13 16.193 -3.691 -20.827 81 HG1 THR 13 HG1 THR 13 17.545 -5.121 -21.699 82 1HG2 THR 13 HG21 THR 13 16.712 -1.844 -22.114 83 2HG2 THR 13 HG22 THR 13 18.393 -1.817 -21.582 84 3HG2 THR 13 HG23 THR 13 17.112 -1.310 -20.481 85 H VAL 14 HN VAL 14 15.272 -3.134 -19.033 86 HA VAL 14 HA VAL 14 15.539 -0.642 -17.636 87 HB VAL 14 HB VAL 14 13.675 -1.213 -19.225 88 1HG1 VAL 14 HG11 VAL 14 13.331 -3.403 -17.489 89 2HG1 VAL 14 HG12 VAL 14 12.388 -2.986 -18.919 90 3HG1 VAL 14 HG13 VAL 14 11.893 -2.395 -17.335 91 1HG2 VAL 14 HG21 VAL 14 12.162 -0.480 -16.853 92 2HG2 VAL 14 HG22 VAL 14 12.486 0.439 -18.322 93 3HG2 VAL 14 HG23 VAL 14 13.667 0.423 -17.017 94 H LEU 15 HN LEU 15 14.240 -0.320 -15.551 95 HA LEU 15 HA LEU 15 15.335 -2.006 -13.543 96 1HB LEU 15 HB2 LEU 15 14.864 0.467 -13.364 97 2HB LEU 15 HB1 LEU 15 13.167 0.056 -13.199 98 HG LEU 15 HG LEU 15 14.703 -1.465 -11.305 99 1HD1 LEU 15 HD11 LEU 15 15.022 1.029 -10.117 100 2HD1 LEU 15 HD12 LEU 15 15.665 1.220 -11.747 101 3HD1 LEU 15 HD13 LEU 15 16.295 -0.046 -10.694 102 1HD2 LEU 15 HD21 LEU 15 12.437 -1.157 -10.868 103 2HD2 LEU 15 HD22 LEU 15 12.504 0.569 -11.221 104 3HD2 LEU 15 HD23 LEU 15 13.224 -0.056 -9.738 105 H ALA 16 HN ALA 16 13.253 -3.154 -15.489 106 HA ALA 16 HA ALA 16 10.957 -3.788 -13.938 107 1HB ALA 16 HB1 ALA 16 10.598 -3.910 -16.229 108 2HB ALA 16 HB2 ALA 16 10.724 -5.605 -15.759 109 3HB ALA 16 HB3 ALA 16 12.096 -4.797 -16.516 110 H ASN 17 HN ASN 17 12.509 -4.362 -12.049 111 HA ASN 17 HA ASN 17 12.931 -7.276 -12.113 112 1HB ASN 17 HB2 ASN 17 14.893 -5.284 -11.733 113 2HB ASN 17 HB1 ASN 17 14.624 -6.014 -10.156 114 1HD2 ASN 17 HD21 ASN 17 15.231 -6.826 -13.540 115 2HD2 ASN 17 HD22 ASN 17 16.158 -8.245 -13.216 116 H LEU 18 HN LEU 18 12.776 -4.593 -9.767 117 HA LEU 18 HA LEU 18 10.902 -6.224 -8.177 118 1HB LEU 18 HB2 LEU 18 13.028 -4.344 -7.150 119 2HB LEU 18 HB1 LEU 18 11.837 -5.158 -6.155 120 HG LEU 18 HG LEU 18 12.920 -7.312 -7.308 121 1HD1 LEU 18 HD11 LEU 18 15.032 -7.100 -8.070 122 2HD1 LEU 18 HD12 LEU 18 15.426 -5.807 -6.936 123 3HD1 LEU 18 HD13 LEU 18 14.520 -5.447 -8.403 124 1HD2 LEU 18 HD21 LEU 18 12.712 -6.762 -4.881 125 2HD2 LEU 18 HD22 LEU 18 14.238 -5.885 -5.004 126 3HD2 LEU 18 HD23 LEU 18 14.193 -7.622 -5.307 127 H THR 19 HN THR 19 9.165 -5.131 -9.284 128 HA THR 19 HA THR 19 8.902 -2.272 -8.899 129 HB THR 19 HB THR 19 6.985 -4.250 -10.135 130 HG1 THR 19 HG1 THR 19 8.405 -2.441 -11.688 131 1HG2 THR 19 HG21 THR 19 5.540 -2.564 -10.062 132 2HG2 THR 19 HG22 THR 19 6.537 -1.830 -11.319 133 3HG2 THR 19 HG23 THR 19 6.785 -1.392 -9.629 134 HA PRO 20 HA PRO 20 5.199 -3.858 -6.213 135 1HB PRO 20 HB2 PRO 20 5.387 -6.393 -5.236 136 2HB PRO 20 HB1 PRO 20 4.541 -5.986 -6.735 137 1HG PRO 20 HG2 PRO 20 7.284 -7.107 -6.349 138 2HG PRO 20 HG1 PRO 20 6.057 -7.532 -7.557 139 1HD PRO 20 HD2 PRO 20 8.171 -5.935 -8.103 140 2HD PRO 20 HD1 PRO 20 6.605 -5.758 -8.917 141 H GLU 21 HN GLU 21 8.526 -4.659 -5.671 142 HA GLU 21 HA GLU 21 8.271 -4.587 -2.786 143 1HB GLU 21 HB2 GLU 21 9.932 -6.062 -3.879 144 2HB GLU 21 HB1 GLU 21 10.764 -4.641 -4.496 145 1HG GLU 21 HG2 GLU 21 10.925 -3.934 -2.028 146 2HG GLU 21 HG1 GLU 21 10.543 -5.619 -1.678 147 H GLN 22 HN GLN 22 9.707 -2.584 -5.334 148 HA GLN 22 HA GLN 22 10.441 -0.490 -3.510 149 1HB GLN 22 HB2 GLN 22 10.337 -0.463 -6.530 150 2HB GLN 22 HB1 GLN 22 11.147 0.719 -5.511 151 1HG GLN 22 HG2 GLN 22 11.864 -2.194 -5.517 152 2HG GLN 22 HG1 GLN 22 12.606 -1.022 -6.605 153 1HE2 GLN 22 HE21 GLN 22 14.635 -0.990 -5.828 154 2HE2 GLN 22 HE22 GLN 22 15.063 -0.516 -4.224 155 H GLN 23 HN GLN 23 7.916 -0.937 -5.971 156 HA GLN 23 HA GLN 23 6.792 1.631 -5.741 157 1HB GLN 23 HB2 GLN 23 6.375 -0.024 -7.592 158 2HB GLN 23 HB1 GLN 23 5.309 -0.888 -6.490 159 1HG GLN 23 HG2 GLN 23 4.068 0.564 -8.000 160 2HG GLN 23 HG1 GLN 23 3.870 1.057 -6.318 161 1HE2 GLN 23 HE21 GLN 23 6.113 1.679 -9.003 162 2HE2 GLN 23 HE22 GLN 23 6.162 3.391 -8.789 163 H LYS 24 HN LYS 24 5.717 -1.452 -4.271 164 HA LYS 24 HA LYS 24 3.638 -0.308 -2.771 165 1HB LYS 24 HB2 LYS 24 5.057 -2.880 -2.803 166 2HB LYS 24 HB1 LYS 24 4.372 -2.452 -1.246 167 1HG LYS 24 HG2 LYS 24 2.638 -2.179 -3.638 168 2HG LYS 24 HG1 LYS 24 3.010 -3.804 -3.060 169 1HD LYS 24 HD2 LYS 24 0.932 -2.934 -2.079 170 2HD LYS 24 HD1 LYS 24 2.162 -3.243 -0.853 171 1HE LYS 24 HE2 LYS 24 2.500 -1.009 -0.433 172 2HE LYS 24 HE1 LYS 24 1.977 -0.520 -2.044 173 1HZ LYS 24 HZ1 LYS 24 0.382 -1.056 0.342 174 2HZ LYS 24 HZ2 LYS 24 -0.294 -1.468 -1.151 175 3HZ LYS 24 HZ3 LYS 24 0.181 0.127 -0.852 176 H ASN 25 HN ASN 25 7.036 -0.217 -2.336 177 HA ASN 25 HA ASN 25 7.122 0.102 0.473 178 1HB ASN 25 HB2 ASN 25 9.101 -0.468 -0.910 179 2HB ASN 25 HB1 ASN 25 9.064 1.156 -1.594 180 1HD2 ASN 25 HD21 ASN 25 10.015 -0.795 1.038 181 2HD2 ASN 25 HD22 ASN 25 10.742 0.447 1.994 182 H VAL 26 HN VAL 26 7.276 2.512 -2.162 183 HA VAL 26 HA VAL 26 7.296 4.776 -0.538 184 HB VAL 26 HB VAL 26 7.665 4.633 -3.071 185 1HG1 VAL 26 HG11 VAL 26 5.526 3.636 -3.676 186 2HG1 VAL 26 HG12 VAL 26 5.764 5.182 -4.485 187 3HG1 VAL 26 HG13 VAL 26 4.686 5.074 -3.095 188 1HG2 VAL 26 HG21 VAL 26 6.092 7.020 -2.868 189 2HG2 VAL 26 HG22 VAL 26 7.845 6.836 -2.876 190 3HG2 VAL 26 HG23 VAL 26 6.956 6.738 -1.358 191 H LEU 27 HN LEU 27 4.521 3.084 -1.998 192 HA LEU 27 HA LEU 27 2.473 4.734 -1.233 193 1HB LEU 27 HB2 LEU 27 2.776 1.879 -1.821 194 2HB LEU 27 HB1 LEU 27 1.412 2.236 -0.781 195 HG LEU 27 HG LEU 27 1.438 4.065 -2.999 196 1HD1 LEU 27 HD11 LEU 27 1.121 2.542 -4.831 197 2HD1 LEU 27 HD12 LEU 27 1.360 1.153 -3.770 198 3HD1 LEU 27 HD13 LEU 27 2.702 2.247 -4.107 199 1HD2 LEU 27 HD21 LEU 27 -0.384 2.378 -1.517 200 2HD2 LEU 27 HD22 LEU 27 -0.719 2.321 -3.246 201 3HD2 LEU 27 HD23 LEU 27 -0.699 3.869 -2.402 202 H GLY 28 HN GLY 28 3.706 1.968 0.663 203 1HA GLY 28 HA2 GLY 28 2.153 2.435 2.944 204 2HA GLY 28 HA1 GLY 28 3.655 1.527 2.912 205 H GLU 29 HN GLU 29 5.524 3.410 2.303 206 HA GLU 29 HA GLU 29 5.940 4.681 4.766 207 1HB GLU 29 HB2 GLU 29 7.210 4.858 2.068 208 2HB GLU 29 HB1 GLU 29 7.618 6.075 3.269 209 1HG GLU 29 HG2 GLU 29 7.945 3.099 3.569 210 2HG GLU 29 HG1 GLU 29 9.231 4.272 3.288 211 H ARG 30 HN ARG 30 5.079 6.105 1.614 212 HA ARG 30 HA ARG 30 4.661 8.717 2.594 213 1HB ARG 30 HB2 ARG 30 3.731 7.280 0.116 214 2HB ARG 30 HB1 ARG 30 3.258 8.942 0.450 215 1HG ARG 30 HG2 ARG 30 6.143 8.136 0.441 216 2HG ARG 30 HG1 ARG 30 5.295 8.531 -1.055 217 1HD ARG 30 HD2 ARG 30 5.315 10.372 1.327 218 2HD ARG 30 HD1 ARG 30 6.567 10.419 0.088 219 HE ARG 30 HE ARG 30 3.917 10.587 -0.989 220 1HH1 ARG 30 HH11 ARG 30 6.517 12.429 0.442 221 2HH1 ARG 30 HH12 ARG 30 6.032 13.919 -0.294 222 1HH2 ARG 30 HH21 ARG 30 3.281 12.549 -1.958 223 2HH2 ARG 30 HH22 ARG 30 4.197 13.987 -1.657 224 H LEU 31 HN LEU 31 2.715 5.863 2.716 225 HA LEU 31 HA LEU 31 0.192 7.138 2.959 226 1HB LEU 31 HB2 LEU 31 1.210 4.502 2.830 227 2HB LEU 31 HB1 LEU 31 0.270 4.612 4.289 228 HG LEU 31 HG LEU 31 -1.237 5.803 2.196 229 1HD1 LEU 31 HD11 LEU 31 -1.369 3.290 1.124 230 2HD1 LEU 31 HD12 LEU 31 0.359 3.535 1.332 231 3HD1 LEU 31 HD13 LEU 31 -0.588 4.684 0.388 232 1HD2 LEU 31 HD21 LEU 31 -1.810 3.093 3.299 233 2HD2 LEU 31 HD22 LEU 31 -2.915 4.427 2.970 234 3HD2 LEU 31 HD23 LEU 31 -1.846 4.493 4.373 235 H TYR 32 HN TYR 32 2.186 5.433 5.363 236 HA TYR 32 HA TYR 32 0.797 6.058 7.637 237 1HB TYR 32 HB2 TYR 32 3.014 4.678 7.206 238 2HB TYR 32 HB1 TYR 32 3.783 6.164 7.745 239 HD1 TYR 32 HD1 TYR 32 1.512 3.429 8.743 240 HD2 TYR 32 HD2 TYR 32 3.782 6.786 10.045 241 HE1 TYR 32 HE1 TYR 32 1.180 2.743 11.081 242 HE2 TYR 32 HE2 TYR 32 3.452 6.108 12.385 243 HH TYR 32 HH TYR 32 1.174 4.035 13.397 244 H ASN 33 HN ASN 33 3.096 8.123 5.926 245 HA ASN 33 HA ASN 33 3.401 10.093 7.886 246 1HB ASN 33 HB2 ASN 33 4.926 10.249 6.140 247 2HB ASN 33 HB1 ASN 33 3.691 10.035 4.903 248 1HD2 ASN 33 HD21 ASN 33 2.144 11.840 4.649 249 2HD2 ASN 33 HD22 ASN 33 2.746 13.450 4.840 250 H HIS 34 HN HIS 34 1.021 9.874 5.260 251 HA HIS 34 HA HIS 34 -0.218 12.346 5.734 252 1HB HIS 34 HB2 HIS 34 -1.981 11.567 4.342 253 2HB HIS 34 HB1 HIS 34 -0.506 10.866 3.698 254 HD1 HIS 34 HD1 HIS 34 -0.834 8.499 3.056 255 HD2 HIS 34 HD2 HIS 34 -3.228 9.549 6.260 256 HE1 HIS 34 HE1 HIS 34 -2.111 6.421 3.684 257 HE2 HIS 34 HE2 HIS 34 -3.428 7.054 5.700 258 H ILE 35 HN ILE 35 -0.864 9.142 6.952 259 HA ILE 35 HA ILE 35 -3.104 10.042 8.530 260 HB ILE 35 HB ILE 35 -3.343 7.937 7.450 261 1HG1 ILE 35 HG12 ILE 35 -3.061 6.710 10.044 262 2HG1 ILE 35 HG11 ILE 35 -3.717 8.336 10.197 263 1HG2 ILE 35 HG21 ILE 35 -1.919 6.053 7.788 264 2HG2 ILE 35 HG22 ILE 35 -0.988 6.915 9.012 265 3HG2 ILE 35 HG23 ILE 35 -0.915 7.423 7.331 266 1HD1 ILE 35 HD11 ILE 35 -5.637 7.158 9.919 267 2HD1 ILE 35 HD12 ILE 35 -4.868 5.937 8.910 268 3HD1 ILE 35 HD13 ILE 35 -5.267 7.513 8.234 269 H VAL 36 HN VAL 36 0.163 8.759 9.218 270 HA VAL 36 HA VAL 36 0.064 8.420 11.909 271 HB VAL 36 HB VAL 36 2.133 8.094 10.623 272 1HG1 VAL 36 HG11 VAL 36 3.506 9.814 9.858 273 2HG1 VAL 36 HG12 VAL 36 2.664 11.037 10.806 274 3HG1 VAL 36 HG13 VAL 36 1.885 10.323 9.394 275 1HG2 VAL 36 HG21 VAL 36 2.253 9.832 13.066 276 2HG2 VAL 36 HG22 VAL 36 3.701 9.147 12.329 277 3HG2 VAL 36 HG23 VAL 36 2.440 8.083 12.951 278 H ALA 37 HN ALA 37 0.589 11.537 10.286 279 HA ALA 37 HA ALA 37 0.493 13.037 12.720 280 1HB ALA 37 HB1 ALA 37 0.536 13.766 9.809 281 2HB ALA 37 HB2 ALA 37 1.791 14.000 11.025 282 3HB ALA 37 HB3 ALA 37 0.328 14.985 11.065 283 H ILE 38 HN ILE 38 -1.781 12.028 10.293 284 HA ILE 38 HA ILE 38 -3.859 13.833 11.192 285 HB ILE 38 HB ILE 38 -3.738 11.700 9.085 286 1HG1 ILE 38 HG12 ILE 38 -3.990 13.453 7.566 287 2HG1 ILE 38 HG11 ILE 38 -4.729 14.514 8.756 288 1HG2 ILE 38 HG21 ILE 38 -6.110 12.205 8.542 289 2HG2 ILE 38 HG22 ILE 38 -6.231 13.083 10.064 290 3HG2 ILE 38 HG23 ILE 38 -5.902 11.351 10.070 291 1HD1 ILE 38 HD11 ILE 38 -2.533 14.743 9.854 292 2HD1 ILE 38 HD12 ILE 38 -2.540 15.318 8.190 293 3HD1 ILE 38 HD13 ILE 38 -1.819 13.758 8.579 294 H ASN 39 HN ASN 39 -3.776 10.267 10.926 295 HA ASN 39 HA ASN 39 -5.311 10.157 13.437 296 1HB ASN 39 HB2 ASN 39 -6.264 9.424 10.978 297 2HB ASN 39 HB1 ASN 39 -5.682 7.891 11.619 298 1HD2 ASN 39 HD21 ASN 39 -6.215 7.911 14.183 299 2HD2 ASN 39 HD22 ASN 39 -7.901 8.123 14.492 300 HA PRO 40 HA PRO 40 -1.278 7.970 14.165 301 1HB PRO 40 HB2 PRO 40 -2.303 8.475 16.916 302 2HB PRO 40 HB1 PRO 40 -0.673 8.686 16.266 303 1HG PRO 40 HG2 PRO 40 -2.230 10.796 16.708 304 2HG PRO 40 HG1 PRO 40 -1.191 10.720 15.273 305 1HD PRO 40 HD2 PRO 40 -4.142 10.311 15.503 306 2HD PRO 40 HD1 PRO 40 -3.206 11.083 14.206 307 H ALA 41 HN ALA 41 -4.482 7.506 15.592 308 HA ALA 41 HA ALA 41 -3.851 4.732 16.258 309 1HB ALA 41 HB1 ALA 41 -6.127 6.566 16.913 310 2HB ALA 41 HB2 ALA 41 -5.024 5.727 18.002 311 3HB ALA 41 HB3 ALA 41 -6.273 4.824 17.145 312 H ALA 42 HN ALA 42 -3.765 5.117 13.558 313 HA ALA 42 HA ALA 42 -5.796 3.299 12.661 314 1HB ALA 42 HB1 ALA 42 -7.134 4.632 11.465 315 2HB ALA 42 HB2 ALA 42 -5.803 5.634 10.909 316 3HB ALA 42 HB3 ALA 42 -6.517 5.921 12.493 317 H ALA 43 HN ALA 43 -3.239 5.551 11.799 318 HA ALA 43 HA ALA 43 -2.377 4.860 9.360 319 1HB ALA 43 HB1 ALA 43 -0.113 5.359 10.039 320 2HB ALA 43 HB2 ALA 43 -0.515 5.056 11.728 321 3HB ALA 43 HB3 ALA 43 -1.225 6.434 10.889 322 H ALA 44 HN ALA 44 -1.434 3.041 12.276 323 HA ALA 44 HA ALA 44 0.030 1.056 11.060 324 1HB ALA 44 HB1 ALA 44 -0.596 -0.360 13.032 325 2HB ALA 44 HB2 ALA 44 -1.677 0.941 13.529 326 3HB ALA 44 HB3 ALA 44 0.059 1.230 13.424 327 H LYS 45 HN LYS 45 -3.443 1.355 11.350 328 HA LYS 45 HA LYS 45 -3.914 -1.287 10.245 329 1HB LYS 45 HB2 LYS 45 -6.008 0.811 10.749 330 2HB LYS 45 HB1 LYS 45 -6.200 -0.935 10.716 331 1HG LYS 45 HG2 LYS 45 -4.995 -1.150 12.795 332 2HG LYS 45 HG1 LYS 45 -4.658 0.583 12.809 333 1HD LYS 45 HD2 LYS 45 -7.384 0.517 12.543 334 2HD LYS 45 HD1 LYS 45 -7.073 -0.869 13.589 335 1HE LYS 45 HE2 LYS 45 -6.164 1.969 14.055 336 2HE LYS 45 HE1 LYS 45 -7.457 1.132 14.913 337 1HZ LYS 45 HZ1 LYS 45 -5.448 -0.549 15.319 338 2HZ LYS 45 HZ2 LYS 45 -5.806 0.728 16.366 339 3HZ LYS 45 HZ3 LYS 45 -4.577 0.900 15.216 340 H VAL 46 HN VAL 46 -4.654 2.068 9.354 341 HA VAL 46 HA VAL 46 -5.742 1.498 6.832 342 HB VAL 46 HB VAL 46 -4.311 4.030 7.636 343 1HG1 VAL 46 HG11 VAL 46 -5.481 3.249 5.208 344 2HG1 VAL 46 HG12 VAL 46 -4.946 4.859 5.680 345 3HG1 VAL 46 HG13 VAL 46 -6.616 4.371 5.960 346 1HG2 VAL 46 HG21 VAL 46 -6.411 2.915 8.971 347 2HG2 VAL 46 HG22 VAL 46 -7.230 3.957 7.807 348 3HG2 VAL 46 HG23 VAL 46 -6.047 4.637 8.920 349 H THR 47 HN THR 47 -2.466 2.603 7.700 350 HA THR 47 HA THR 47 -1.410 2.585 5.119 351 HB THR 47 HB THR 47 -0.011 2.115 7.754 352 HG1 THR 47 HG1 THR 47 -0.209 4.177 7.990 353 1HG2 THR 47 HG21 THR 47 1.067 1.921 5.161 354 2HG2 THR 47 HG22 THR 47 1.919 1.942 6.706 355 3HG2 THR 47 HG23 THR 47 1.616 3.452 5.846 356 H GLY 48 HN GLY 48 -1.324 0.033 7.594 357 1HA GLY 48 HA2 GLY 48 0.075 -1.802 5.924 358 2HA GLY 48 HA1 GLY 48 -0.702 -2.174 7.454 359 H MET 49 HN MET 49 -3.285 -1.731 7.078 360 HA MET 49 HA MET 49 -4.069 -3.934 5.473 361 1HB MET 49 HB2 MET 49 -5.849 -1.797 6.655 362 2HB MET 49 HB1 MET 49 -6.334 -3.403 6.130 363 1HG MET 49 HG2 MET 49 -4.415 -2.849 8.378 364 2HG MET 49 HG1 MET 49 -6.137 -3.167 8.580 365 1HE MET 49 HE1 MET 49 -2.847 -6.135 7.448 366 2HE MET 49 HE2 MET 49 -2.694 -4.952 8.747 367 3HE MET 49 HE3 MET 49 -2.861 -4.413 7.076 368 H LEU 50 HN LEU 50 -4.662 -0.434 5.194 369 HA LEU 50 HA LEU 50 -5.769 0.686 3.466 370 1HB LEU 50 HB2 LEU 50 -3.329 1.044 3.304 371 2HB LEU 50 HB1 LEU 50 -3.236 -0.270 2.149 372 HG LEU 50 HG LEU 50 -4.962 1.110 0.790 373 1HD1 LEU 50 HD11 LEU 50 -4.317 2.920 2.981 374 2HD1 LEU 50 HD12 LEU 50 -5.651 2.961 1.826 375 3HD1 LEU 50 HD13 LEU 50 -4.084 3.638 1.387 376 1HD2 LEU 50 HD21 LEU 50 -2.038 1.452 1.066 377 2HD2 LEU 50 HD22 LEU 50 -2.897 2.642 0.088 378 3HD2 LEU 50 HD23 LEU 50 -2.996 0.928 -0.318 379 H LEU 51 HN LEU 51 -4.193 -2.023 1.759 380 HA LEU 51 HA LEU 51 -6.111 -2.090 -0.309 381 1HB LEU 51 HB2 LEU 51 -4.194 -4.248 0.553 382 2HB LEU 51 HB1 LEU 51 -5.013 -4.152 -0.995 383 HG LEU 51 HG LEU 51 -3.622 -1.708 -0.650 384 1HD1 LEU 51 HD11 LEU 51 -1.333 -3.294 -0.721 385 2HD1 LEU 51 HD12 LEU 51 -2.270 -3.896 0.647 386 3HD1 LEU 51 HD13 LEU 51 -1.832 -2.191 0.563 387 1HD2 LEU 51 HD21 LEU 51 -2.422 -3.726 -2.406 388 2HD2 LEU 51 HD22 LEU 51 -3.027 -2.112 -2.773 389 3HD2 LEU 51 HD23 LEU 51 -4.150 -3.466 -2.648 390 H GLU 52 HN GLU 52 -7.930 -2.020 1.366 391 HA GLU 52 HA GLU 52 -8.685 -4.676 2.316 392 1HB GLU 52 HB2 GLU 52 -10.435 -2.298 2.718 393 2HB GLU 52 HB1 GLU 52 -10.107 -3.643 3.800 394 1HG GLU 52 HG2 GLU 52 -7.681 -2.478 3.747 395 2HG GLU 52 HG1 GLU 52 -8.712 -1.072 3.492 396 H MET 53 HN MET 53 -11.358 -4.724 2.174 397 HA MET 53 HA MET 53 -11.854 -5.345 -0.539 398 1HB MET 53 HB2 MET 53 -13.853 -4.976 1.695 399 2HB MET 53 HB1 MET 53 -14.139 -5.818 0.178 400 1HG MET 53 HG2 MET 53 -12.064 -6.657 2.186 401 2HG MET 53 HG1 MET 53 -13.710 -7.286 2.150 402 1HE MET 53 HE1 MET 53 -14.355 -9.403 -0.127 403 2HE MET 53 HE2 MET 53 -13.864 -8.456 -1.531 404 3HE MET 53 HE3 MET 53 -14.703 -7.676 -0.191 405 H ASP 54 HN ASP 54 -13.458 -2.873 1.502 406 HA ASP 54 HA ASP 54 -14.262 -1.467 -0.928 407 1HB ASP 54 HB2 ASP 54 -16.014 -1.806 0.683 408 2HB ASP 54 HB1 ASP 54 -15.039 -1.109 1.971 409 H ASN 55 HN ASN 55 -13.187 -0.295 2.256 410 HA ASN 55 HA ASN 55 -12.261 2.160 1.565 411 1HB ASN 55 HB2 ASN 55 -12.300 1.376 3.871 412 2HB ASN 55 HB1 ASN 55 -10.995 0.246 3.537 413 1HD2 ASN 55 HD21 ASN 55 -10.939 3.420 2.125 414 2HD2 ASN 55 HD22 ASN 55 -9.687 4.061 3.124 415 H GLY 56 HN GLY 56 -10.763 -0.906 0.887 416 1HA GLY 56 HA2 GLY 56 -8.202 0.135 0.176 417 2HA GLY 56 HA1 GLY 56 -8.817 -1.468 -0.203 418 H GLU 57 HN GLU 57 -10.793 -1.256 -1.869 419 HA GLU 57 HA GLU 57 -9.918 -0.902 -4.341 420 1HB GLU 57 HB2 GLU 57 -12.614 0.011 -3.353 421 2HB GLU 57 HB1 GLU 57 -12.196 -0.192 -5.048 422 1HG GLU 57 HG2 GLU 57 -11.659 -2.498 -3.307 423 2HG GLU 57 HG1 GLU 57 -13.358 -2.096 -3.558 424 H ILE 58 HN ILE 58 -11.369 1.840 -2.574 425 HA ILE 58 HA ILE 58 -10.899 3.784 -4.515 426 HB ILE 58 HB ILE 58 -11.034 4.072 -1.514 427 1HG1 ILE 58 HG12 ILE 58 -13.065 3.166 -2.513 428 2HG1 ILE 58 HG11 ILE 58 -13.345 4.813 -1.958 429 1HG2 ILE 58 HG21 ILE 58 -10.332 6.013 -3.515 430 2HG2 ILE 58 HG22 ILE 58 -10.399 6.188 -1.762 431 3HG2 ILE 58 HG23 ILE 58 -11.845 6.463 -2.732 432 1HD1 ILE 58 HD11 ILE 58 -13.970 5.443 -3.984 433 2HD1 ILE 58 HD12 ILE 58 -13.883 3.753 -4.477 434 3HD1 ILE 58 HD13 ILE 58 -12.490 4.810 -4.700 435 H LEU 59 HN LEU 59 -8.854 2.648 -1.871 436 HA LEU 59 HA LEU 59 -6.807 4.378 -1.742 437 1HB LEU 59 HB2 LEU 59 -5.523 2.687 -0.896 438 2HB LEU 59 HB1 LEU 59 -7.120 1.995 -0.741 439 HG LEU 59 HG LEU 59 -6.566 0.959 -3.102 440 1HD1 LEU 59 HD11 LEU 59 -4.236 2.310 -2.747 441 2HD1 LEU 59 HD12 LEU 59 -4.421 0.881 -3.761 442 3HD1 LEU 59 HD13 LEU 59 -3.811 0.721 -2.116 443 1HD2 LEU 59 HD21 LEU 59 -6.193 0.110 -0.361 444 2HD2 LEU 59 HD22 LEU 59 -5.103 -0.732 -1.462 445 3HD2 LEU 59 HD23 LEU 59 -6.842 -0.772 -1.743 446 H ASN 60 HN ASN 60 -7.431 2.186 -4.409 447 HA ASN 60 HA ASN 60 -5.110 2.231 -5.835 448 1HB ASN 60 HB2 ASN 60 -7.466 1.213 -6.374 449 2HB ASN 60 HB1 ASN 60 -7.680 2.693 -7.303 450 1HD2 ASN 60 HD21 ASN 60 -7.364 2.289 -9.362 451 2HD2 ASN 60 HD22 ASN 60 -6.099 1.321 -10.030 452 H LEU 61 HN LEU 61 -7.278 4.893 -5.298 453 HA LEU 61 HA LEU 61 -5.701 6.550 -7.151 454 1HB LEU 61 HB2 LEU 61 -8.396 7.255 -6.020 455 2HB LEU 61 HB1 LEU 61 -7.574 7.987 -7.385 456 HG LEU 61 HG LEU 61 -7.960 5.197 -7.910 457 1HD1 LEU 61 HD11 LEU 61 -10.423 5.176 -7.984 458 2HD1 LEU 61 HD12 LEU 61 -10.441 6.707 -7.107 459 3HD1 LEU 61 HD13 LEU 61 -9.790 5.259 -6.340 460 1HD2 LEU 61 HD21 LEU 61 -7.969 7.600 -9.275 461 2HD2 LEU 61 HD22 LEU 61 -9.638 7.043 -9.394 462 3HD2 LEU 61 HD23 LEU 61 -8.321 6.011 -9.951 463 H LEU 62 HN LEU 62 -4.304 6.249 -4.967 464 HA LEU 62 HA LEU 62 -4.552 7.349 -2.595 465 1HB LEU 62 HB2 LEU 62 -2.336 7.869 -4.550 466 2HB LEU 62 HB1 LEU 62 -2.250 8.438 -2.894 467 HG LEU 62 HG LEU 62 -2.858 5.574 -3.278 468 1HD1 LEU 62 HD11 LEU 62 -0.481 6.854 -4.402 469 2HD1 LEU 62 HD12 LEU 62 -1.187 5.273 -4.728 470 3HD1 LEU 62 HD13 LEU 62 -0.141 5.498 -3.325 471 1HD2 LEU 62 HD21 LEU 62 -1.349 7.300 -1.364 472 2HD2 LEU 62 HD22 LEU 62 -1.023 5.568 -1.432 473 3HD2 LEU 62 HD23 LEU 62 -2.645 6.146 -1.052 474 H ASP 63 HN ASP 63 -6.164 8.866 -2.365 475 HA ASP 63 HA ASP 63 -5.610 11.550 -3.451 476 1HB ASP 63 HB2 ASP 63 -8.069 9.978 -3.234 477 2HB ASP 63 HB1 ASP 63 -8.236 11.613 -2.601 478 H THR 64 HN THR 64 -6.208 13.378 -2.092 479 HA THR 64 HA THR 64 -5.256 13.008 0.575 480 HB THR 64 HB THR 64 -6.537 15.575 0.115 481 HG1 THR 64 HG1 THR 64 -4.531 14.802 -1.733 482 1HG2 THR 64 HG21 THR 64 -4.753 16.357 1.176 483 2HG2 THR 64 HG22 THR 64 -3.632 15.503 0.115 484 3HG2 THR 64 HG23 THR 64 -4.357 14.666 1.488 485 HA PRO 65 HA PRO 65 -9.727 14.047 1.859 486 1HB PRO 65 HB2 PRO 65 -11.652 14.257 -0.039 487 2HB PRO 65 HB1 PRO 65 -10.660 15.618 0.484 488 1HG PRO 65 HG2 PRO 65 -10.478 13.981 -1.989 489 2HG PRO 65 HG1 PRO 65 -10.123 15.697 -1.745 490 1HD PRO 65 HD2 PRO 65 -8.232 13.668 -1.909 491 2HD PRO 65 HD1 PRO 65 -7.956 15.276 -1.216 492 H GLY 66 HN GLY 66 -10.500 12.318 -1.167 493 1HA GLY 66 HA2 GLY 66 -12.268 10.491 -0.220 494 2HA GLY 66 HA1 GLY 66 -11.172 10.159 -1.551 495 H LEU 67 HN LEU 67 -8.758 9.913 -0.465 496 HA LEU 67 HA LEU 67 -8.879 7.383 0.759 497 1HB LEU 67 HB2 LEU 67 -6.923 9.139 -0.330 498 2HB LEU 67 HB1 LEU 67 -6.354 8.571 1.219 499 HG LEU 67 HG LEU 67 -5.649 7.237 -0.816 500 1HD1 LEU 67 HD11 LEU 67 -5.608 6.415 1.547 501 2HD1 LEU 67 HD12 LEU 67 -5.747 5.157 0.321 502 3HD1 LEU 67 HD13 LEU 67 -7.167 5.652 1.240 503 1HD2 LEU 67 HD21 LEU 67 -7.145 6.331 -2.185 504 2HD2 LEU 67 HD22 LEU 67 -8.366 7.309 -1.370 505 3HD2 LEU 67 HD23 LEU 67 -8.068 5.653 -0.844 506 H LEU 68 HN LEU 68 -7.378 10.325 2.148 507 HA LEU 68 HA LEU 68 -7.129 9.502 4.734 508 1HB LEU 68 HB2 LEU 68 -7.424 12.108 3.440 509 2HB LEU 68 HB1 LEU 68 -7.891 12.103 5.123 510 HG LEU 68 HG LEU 68 -5.648 11.125 5.667 511 1HD1 LEU 68 HD11 LEU 68 -4.181 10.541 4.098 512 2HD1 LEU 68 HD12 LEU 68 -4.405 12.053 3.218 513 3HD1 LEU 68 HD13 LEU 68 -5.500 10.700 2.939 514 1HD2 LEU 68 HD21 LEU 68 -6.344 13.637 5.601 515 2HD2 LEU 68 HD22 LEU 68 -5.236 13.709 4.229 516 3HD2 LEU 68 HD23 LEU 68 -4.651 13.194 5.810 517 H ASP 69 HN ASP 69 -10.075 10.611 3.171 518 HA ASP 69 HA ASP 69 -11.637 10.815 5.522 519 1HB ASP 69 HB2 ASP 69 -12.290 11.844 3.378 520 2HB ASP 69 HB1 ASP 69 -12.524 10.242 2.686 521 H ALA 70 HN ALA 70 -11.675 8.273 3.005 522 HA ALA 70 HA ALA 70 -13.144 6.461 4.635 523 1HB ALA 70 HB1 ALA 70 -12.064 4.846 2.768 524 2HB ALA 70 HB2 ALA 70 -11.908 6.406 1.965 525 3HB ALA 70 HB3 ALA 70 -13.491 5.843 2.498 526 H LYS 71 HN LYS 71 -9.940 7.431 4.769 527 HA LYS 71 HA LYS 71 -8.803 4.900 5.569 528 1HB LYS 71 HB2 LYS 71 -7.819 7.721 5.338 529 2HB LYS 71 HB1 LYS 71 -6.883 6.550 6.255 530 1HG LYS 71 HG2 LYS 71 -6.983 5.092 4.156 531 2HG LYS 71 HG1 LYS 71 -7.512 6.551 3.323 532 1HD LYS 71 HD2 LYS 71 -5.016 6.486 4.993 533 2HD LYS 71 HD1 LYS 71 -5.010 6.033 3.291 534 1HE LYS 71 HE2 LYS 71 -6.361 8.420 3.307 535 2HE LYS 71 HE1 LYS 71 -5.138 8.664 4.542 536 1HZ LYS 71 HZ1 LYS 71 -4.052 7.453 2.199 537 2HZ LYS 71 HZ2 LYS 71 -3.585 8.873 2.990 538 3HZ LYS 71 HZ3 LYS 71 -4.811 8.919 1.836 539 H VAL 72 HN VAL 72 -9.348 8.039 7.156 540 HA VAL 72 HA VAL 72 -8.765 7.087 9.760 541 HB VAL 72 HB VAL 72 -9.746 9.213 10.553 542 1HG1 VAL 72 HG11 VAL 72 -7.400 8.963 9.670 543 2HG1 VAL 72 HG12 VAL 72 -8.049 10.604 9.678 544 3HG1 VAL 72 HG13 VAL 72 -7.976 9.689 8.172 545 1HG2 VAL 72 HG21 VAL 72 -10.419 10.874 8.786 546 2HG2 VAL 72 HG22 VAL 72 -11.558 9.556 9.057 547 3HG2 VAL 72 HG23 VAL 72 -10.493 9.527 7.656 548 H GLN 73 HN GLN 73 -11.842 7.775 8.100 549 HA GLN 73 HA GLN 73 -13.497 7.170 10.273 550 1HB GLN 73 HB2 GLN 73 -14.160 6.848 7.346 551 2HB GLN 73 HB1 GLN 73 -15.297 7.095 8.665 552 1HG GLN 73 HG2 GLN 73 -13.257 9.063 7.650 553 2HG GLN 73 HG1 GLN 73 -15.005 9.144 7.434 554 1HE2 GLN 73 HE21 GLN 73 -15.814 8.433 10.003 555 2HE2 GLN 73 HE22 GLN 73 -15.356 9.691 11.095 556 H GLU 74 HN GLU 74 -12.683 5.118 7.452 557 HA GLU 74 HA GLU 74 -14.009 2.828 8.351 558 1HB GLU 74 HB2 GLU 74 -13.216 3.047 6.060 559 2HB GLU 74 HB1 GLU 74 -11.548 3.028 6.613 560 1HG GLU 74 HG2 GLU 74 -13.320 0.730 7.279 561 2HG GLU 74 HG1 GLU 74 -12.666 0.873 5.648 562 H ALA 75 HN ALA 75 -10.739 3.975 8.946 563 HA ALA 75 HA ALA 75 -9.902 1.631 10.341 564 1HB ALA 75 HB1 ALA 75 -8.700 4.387 10.285 565 2HB ALA 75 HB2 ALA 75 -8.329 3.058 9.187 566 3HB ALA 75 HB3 ALA 75 -7.919 2.926 10.897 567 H LEU 76 HN LEU 76 -10.999 4.855 11.377 568 HA LEU 76 HA LEU 76 -10.645 4.310 14.151 569 1HB LEU 76 HB2 LEU 76 -11.978 6.456 12.570 570 2HB LEU 76 HB1 LEU 76 -12.414 6.288 14.257 571 HG LEU 76 HG LEU 76 -9.668 6.861 13.152 572 1HD1 LEU 76 HD11 LEU 76 -11.822 8.539 13.827 573 2HD1 LEU 76 HD12 LEU 76 -10.162 9.002 13.456 574 3HD1 LEU 76 HD13 LEU 76 -10.639 8.696 15.124 575 1HD2 LEU 76 HD21 LEU 76 -9.046 7.069 15.576 576 2HD2 LEU 76 HD22 LEU 76 -9.351 5.424 15.027 577 3HD2 LEU 76 HD23 LEU 76 -10.573 6.282 15.967 578 H GLU 77 HN GLU 77 -13.145 3.642 11.850 579 HA GLU 77 HA GLU 77 -15.144 3.108 13.879 580 1HB GLU 77 HB2 GLU 77 -15.268 3.784 11.201 581 2HB GLU 77 HB1 GLU 77 -15.713 2.086 11.204 582 1HG GLU 77 HG2 GLU 77 -17.755 3.041 11.476 583 2HG GLU 77 HG1 GLU 77 -17.285 2.840 13.165 584 H VAL 78 HN VAL 78 -12.852 1.332 11.921 585 HA VAL 78 HA VAL 78 -13.972 -1.221 12.774 586 HB VAL 78 HB VAL 78 -13.104 -0.814 10.415 587 1HG1 VAL 78 HG11 VAL 78 -11.033 0.339 11.025 588 2HG1 VAL 78 HG12 VAL 78 -10.712 -1.088 10.043 589 3HG1 VAL 78 HG13 VAL 78 -10.433 -1.134 11.783 590 1HG2 VAL 78 HG21 VAL 78 -13.351 -3.022 10.472 591 2HG2 VAL 78 HG22 VAL 78 -12.822 -3.108 12.151 592 3HG2 VAL 78 HG23 VAL 78 -11.635 -3.132 10.848 593 H LEU 79 HN LEU 79 -11.050 0.726 13.188 594 HA LEU 79 HA LEU 79 -9.372 0.660 14.720 595 1HB LEU 79 HB2 LEU 79 -11.788 -0.088 16.085 596 2HB LEU 79 HB1 LEU 79 -10.437 -0.957 16.782 597 HG LEU 79 HG LEU 79 -10.984 1.203 17.911 598 1HD1 LEU 79 HD11 LEU 79 -8.258 0.870 16.679 599 2HD1 LEU 79 HD12 LEU 79 -8.813 0.271 18.241 600 3HD1 LEU 79 HD13 LEU 79 -8.623 2.004 17.979 601 1HD2 LEU 79 HD21 LEU 79 -11.337 2.249 15.490 602 2HD2 LEU 79 HD22 LEU 79 -9.648 2.694 15.728 603 3HD2 LEU 79 HD23 LEU 79 -10.869 3.225 16.884 604 H ASN 80 HN ASN 80 -8.603 -1.349 16.546 605 HA ASN 80 HA ASN 80 -7.241 -3.132 14.805 606 1HB ASN 80 HB2 ASN 80 -6.949 -2.289 17.449 607 2HB ASN 80 HB1 ASN 80 -7.297 -4.010 17.578 608 1HD2 ASN 80 HD21 ASN 80 -6.106 -4.782 15.113 609 2HD2 ASN 80 HD22 ASN 80 -4.396 -4.625 15.293 610 H ARG 81 HN ARG 81 -10.390 -3.192 15.391 611 HA ARG 81 HA ARG 81 -10.860 -5.874 16.207 612 1HB ARG 81 HB2 ARG 81 -12.773 -4.213 14.581 613 2HB ARG 81 HB1 ARG 81 -13.141 -5.443 15.781 614 1HG ARG 81 HG2 ARG 81 -11.666 -3.049 16.717 615 2HG ARG 81 HG1 ARG 81 -13.358 -2.839 16.271 616 1HD ARG 81 HD2 ARG 81 -13.750 -4.924 17.755 617 2HD ARG 81 HD1 ARG 81 -12.164 -4.544 18.421 618 HE ARG 81 HE ARG 81 -14.603 -3.203 18.973 619 1HH1 ARG 81 HH11 ARG 81 -11.177 -2.654 18.580 620 2HH1 ARG 81 HH12 ARG 81 -11.160 -1.248 19.593 621 1HH2 ARG 81 HH21 ARG 81 -14.581 -1.354 20.302 622 2HH2 ARG 81 HH22 ARG 81 -13.091 -0.513 20.573 623 H HIS 82 HN HIS 82 -9.032 -5.329 13.853 624 HA HIS 82 HA HIS 82 -10.339 -6.397 11.550 625 1HB HIS 82 HB2 HIS 82 -7.877 -5.100 12.161 626 2HB HIS 82 HB1 HIS 82 -7.491 -6.634 11.381 627 HD1 HIS 82 HD1 HIS 82 -7.541 -6.612 8.903 628 HD2 HIS 82 HD2 HIS 82 -9.776 -3.512 10.527 629 HE1 HIS 82 HE1 HIS 82 -8.304 -5.235 6.941 630 HE2 HIS 82 HE2 HIS 82 -9.737 -3.421 7.943 631 H MET 83 HN MET 83 -11.081 -8.447 11.768 632 HA MET 83 HA MET 83 -9.170 -10.578 11.895 633 1HB MET 83 HB2 MET 83 -9.939 -9.797 14.346 634 2HB MET 83 HB1 MET 83 -11.259 -10.899 13.979 635 1HG MET 83 HG2 MET 83 -9.798 -12.321 14.994 636 2HG MET 83 HG1 MET 83 -9.317 -12.518 13.308 637 1HE MET 83 HE1 MET 83 -8.022 -12.938 16.286 638 2HE MET 83 HE2 MET 83 -6.354 -12.360 16.254 639 3HE MET 83 HE3 MET 83 -6.905 -13.531 15.056 640 H ASN 84 HN ASN 84 -12.636 -10.273 12.689 641 HA ASN 84 HA ASN 84 -13.195 -12.119 10.461 642 1HB ASN 84 HB2 ASN 84 -14.139 -12.016 13.235 643 2HB ASN 84 HB1 ASN 84 -15.443 -12.184 12.060 644 1HD2 ASN 84 HD21 ASN 84 -13.663 -13.920 14.040 645 2HD2 ASN 84 HD22 ASN 84 -13.505 -15.392 13.151 646 H VAL 85 HN VAL 85 -12.977 -9.737 9.494 647 HA VAL 85 HA VAL 85 -15.727 -8.696 9.293 648 HB VAL 85 HB VAL 85 -14.186 -7.130 10.476 649 1HG1 VAL 85 HG11 VAL 85 -12.141 -7.704 9.216 650 2HG1 VAL 85 HG12 VAL 85 -12.455 -5.968 9.259 651 3HG1 VAL 85 HG13 VAL 85 -12.815 -6.894 7.802 652 1HG2 VAL 85 HG21 VAL 85 -15.637 -6.467 7.978 653 2HG2 VAL 85 HG22 VAL 85 -14.644 -5.207 8.708 654 3HG2 VAL 85 HG23 VAL 85 -15.943 -5.954 9.637 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 30.456 10.999 -17.045 2 2H GLY 1 HT2 GLY 1 29.206 11.232 -15.931 3 3H GLY 1 HT3 GLY 1 30.671 10.556 -15.426 4 1HA GLY 1 HA1 GLY 1 30.080 13.109 -15.082 5 2HA GLY 1 HA2 GLY 1 31.723 12.521 -15.281 6 H SER 2 HN SER 2 29.169 14.375 -16.640 7 HA SER 2 HA SER 2 29.095 15.853 -18.366 8 1HB SER 2 HB2 SER 2 31.547 16.216 -17.391 9 2HB SER 2 HB1 SER 2 32.003 15.559 -18.963 10 HG SER 2 HG SER 2 30.773 17.970 -18.323 11 H SER 3 HN SER 3 28.420 13.265 -18.956 12 HA SER 3 HA SER 3 29.401 12.999 -21.721 13 1HB SER 3 HB2 SER 3 30.384 11.156 -20.585 14 2HB SER 3 HB1 SER 3 28.901 10.822 -19.691 15 HG SER 3 HG SER 3 28.918 10.704 -22.503 16 H LEU 4 HN LEU 4 27.847 13.181 -23.182 17 HA LEU 4 HA LEU 4 25.095 13.343 -22.397 18 1HB LEU 4 HB2 LEU 4 26.602 13.647 -24.959 19 2HB LEU 4 HB1 LEU 4 24.861 13.439 -25.016 20 HG LEU 4 HG LEU 4 26.156 15.593 -23.359 21 1HD1 LEU 4 HD11 LEU 4 25.061 16.791 -25.612 22 2HD1 LEU 4 HD12 LEU 4 25.966 15.415 -26.239 23 3HD1 LEU 4 HD13 LEU 4 26.774 16.617 -25.233 24 1HD2 LEU 4 HD21 LEU 4 23.581 14.649 -23.432 25 2HD2 LEU 4 HD22 LEU 4 23.521 16.024 -24.535 26 3HD2 LEU 4 HD23 LEU 4 24.074 16.247 -22.876 27 H ALA 5 HN ALA 5 24.585 11.282 -21.601 28 HA ALA 5 HA ALA 5 24.911 8.940 -23.235 29 1HB ALA 5 HB1 ALA 5 23.813 9.527 -20.542 30 2HB ALA 5 HB2 ALA 5 24.985 8.311 -21.048 31 3HB ALA 5 HB3 ALA 5 23.267 8.058 -21.349 32 H SER 6 HN SER 6 23.192 7.636 -24.064 33 HA SER 6 HA SER 6 20.962 9.253 -25.043 34 1HB SER 6 HB2 SER 6 20.613 7.058 -26.446 35 2HB SER 6 HB1 SER 6 21.913 8.175 -26.864 36 HG SER 6 HG SER 6 23.376 6.828 -25.918 37 H GLN 7 HN GLN 7 18.827 8.066 -25.289 38 HA GLN 7 HA GLN 7 17.900 7.322 -22.727 39 1HB GLN 7 HB2 GLN 7 16.751 7.999 -25.219 40 2HB GLN 7 HB1 GLN 7 16.102 6.424 -24.780 41 1HG GLN 7 HG2 GLN 7 15.731 7.582 -22.455 42 2HG GLN 7 HG1 GLN 7 15.785 9.051 -23.429 43 1HE2 GLN 7 HE21 GLN 7 13.545 8.086 -21.975 44 2HE2 GLN 7 HE22 GLN 7 12.291 7.744 -23.114 45 H GLY 8 HN GLY 8 18.697 5.516 -21.822 46 1HA GLY 8 HA2 GLY 8 18.711 3.051 -23.434 47 2HA GLY 8 HA1 GLY 8 19.662 3.317 -21.981 48 H GLN 9 HN GLN 9 16.955 1.831 -23.214 49 HA GLN 9 HA GLN 9 15.270 1.995 -20.897 50 1HB GLN 9 HB2 GLN 9 13.895 0.320 -22.025 51 2HB GLN 9 HB1 GLN 9 14.323 1.624 -23.126 52 1HG GLN 9 HG2 GLN 9 15.811 0.290 -24.320 53 2HG GLN 9 HG1 GLN 9 15.917 -0.907 -23.031 54 1HE2 GLN 9 HE21 GLN 9 13.504 -1.658 -22.449 55 2HE2 GLN 9 HE22 GLN 9 12.637 -2.254 -23.819 56 H ASN 10 HN ASN 10 18.161 0.807 -20.909 57 HA ASN 10 HA ASN 10 17.814 -1.890 -20.068 58 1HB ASN 10 HB2 ASN 10 20.195 -1.824 -19.565 59 2HB ASN 10 HB1 ASN 10 19.893 -1.076 -21.130 60 1HD2 ASN 10 HD21 ASN 10 21.609 -0.788 -18.383 61 2HD2 ASN 10 HD22 ASN 10 21.887 0.917 -18.374 62 H LEU 11 HN LEU 11 17.241 1.059 -18.564 63 HA LEU 11 HA LEU 11 18.065 0.371 -15.912 64 1HB LEU 11 HB2 LEU 11 16.211 2.508 -16.956 65 2HB LEU 11 HB1 LEU 11 16.637 2.339 -15.266 66 HG LEU 11 HG LEU 11 18.951 2.513 -17.070 67 1HD1 LEU 11 HD11 LEU 11 18.418 5.155 -16.910 68 2HD1 LEU 11 HD12 LEU 11 16.797 4.512 -17.174 69 3HD1 LEU 11 HD13 LEU 11 18.084 4.163 -18.328 70 1HD2 LEU 11 HD21 LEU 11 18.073 3.673 -14.451 71 2HD2 LEU 11 HD22 LEU 11 19.483 4.310 -15.300 72 3HD2 LEU 11 HD23 LEU 11 19.444 2.618 -14.799 73 H SER 12 HN SER 12 15.153 0.008 -17.810 74 HA SER 12 HA SER 12 13.558 -0.792 -15.529 75 1HB SER 12 HB2 SER 12 12.973 -0.638 -18.488 76 2HB SER 12 HB1 SER 12 11.805 -1.221 -17.301 77 HG SER 12 HG SER 12 11.675 0.767 -16.430 78 H THR 13 HN THR 13 15.118 -2.342 -18.301 79 HA THR 13 HA THR 13 13.978 -4.885 -17.979 80 HB THR 13 HB THR 13 15.214 -4.153 -19.993 81 HG1 THR 13 HG1 THR 13 15.173 -6.244 -20.168 82 1HG2 THR 13 HG21 THR 13 17.165 -3.209 -18.533 83 2HG2 THR 13 HG22 THR 13 17.474 -3.877 -20.136 84 3HG2 THR 13 HG23 THR 13 17.797 -4.847 -18.698 85 H VAL 14 HN VAL 14 16.516 -3.280 -16.236 86 HA VAL 14 HA VAL 14 17.387 -5.758 -14.970 87 HB VAL 14 HB VAL 14 19.040 -3.984 -15.628 88 1HG1 VAL 14 HG11 VAL 14 17.844 -2.500 -13.293 89 2HG1 VAL 14 HG12 VAL 14 17.750 -2.020 -14.987 90 3HG1 VAL 14 HG13 VAL 14 19.308 -2.046 -14.163 91 1HG2 VAL 14 HG21 VAL 14 20.032 -3.999 -13.127 92 2HG2 VAL 14 HG22 VAL 14 20.087 -5.393 -14.207 93 3HG2 VAL 14 HG23 VAL 14 18.821 -5.274 -12.986 94 H LEU 15 HN LEU 15 15.748 -2.735 -14.163 95 HA LEU 15 HA LEU 15 15.421 -3.404 -11.394 96 1HB LEU 15 HB2 LEU 15 15.189 -1.099 -12.918 97 2HB LEU 15 HB1 LEU 15 13.539 -1.441 -12.436 98 HG LEU 15 HG LEU 15 14.487 -1.635 -10.046 99 1HD1 LEU 15 HD11 LEU 15 16.731 -0.165 -11.421 100 2HD1 LEU 15 HD12 LEU 15 16.832 -1.724 -10.600 101 3HD1 LEU 15 HD13 LEU 15 16.503 -0.258 -9.674 102 1HD2 LEU 15 HD21 LEU 15 14.232 0.741 -9.693 103 2HD2 LEU 15 HD22 LEU 15 13.045 0.188 -10.874 104 3HD2 LEU 15 HD23 LEU 15 14.485 1.055 -11.410 105 H ALA 16 HN ALA 16 13.924 -4.477 -14.200 106 HA ALA 16 HA ALA 16 11.237 -4.712 -13.307 107 1HB ALA 16 HB1 ALA 16 11.087 -5.073 -15.505 108 2HB ALA 16 HB2 ALA 16 11.606 -6.723 -15.170 109 3HB ALA 16 HB3 ALA 16 12.793 -5.503 -15.627 110 H ASN 17 HN ASN 17 12.105 -5.475 -11.097 111 HA ASN 17 HA ASN 17 12.062 -8.417 -11.077 112 1HB ASN 17 HB2 ASN 17 14.066 -6.628 -10.009 113 2HB ASN 17 HB1 ASN 17 13.346 -7.582 -8.715 114 1HD2 ASN 17 HD21 ASN 17 14.813 -7.845 -11.915 115 2HD2 ASN 17 HD22 ASN 17 15.517 -9.403 -11.657 116 H LEU 18 HN LEU 18 11.797 -5.698 -8.804 117 HA LEU 18 HA LEU 18 9.285 -6.874 -7.813 118 1HB LEU 18 HB2 LEU 18 11.662 -5.866 -6.326 119 2HB LEU 18 HB1 LEU 18 10.078 -5.642 -5.613 120 HG LEU 18 HG LEU 18 11.280 -8.295 -6.409 121 1HD1 LEU 18 HD11 LEU 18 12.407 -7.397 -4.482 122 2HD1 LEU 18 HD12 LEU 18 11.331 -8.698 -3.971 123 3HD1 LEU 18 HD13 LEU 18 10.866 -7.016 -3.712 124 1HD2 LEU 18 HD21 LEU 18 9.141 -8.689 -4.673 125 2HD2 LEU 18 HD22 LEU 18 9.182 -9.034 -6.402 126 3HD2 LEU 18 HD23 LEU 18 8.567 -7.485 -5.826 127 H THR 19 HN THR 19 8.076 -5.477 -9.159 128 HA THR 19 HA THR 19 8.396 -2.620 -8.883 129 HB THR 19 HB THR 19 6.420 -4.304 -10.425 130 HG1 THR 19 HG1 THR 19 7.616 -3.414 -12.194 131 1HG2 THR 19 HG21 THR 19 5.148 -2.545 -10.819 132 2HG2 THR 19 HG22 THR 19 6.547 -1.663 -11.433 133 3HG2 THR 19 HG23 THR 19 6.134 -1.579 -9.720 134 HA PRO 20 HA PRO 20 4.049 -3.069 -6.805 135 1HB PRO 20 HB2 PRO 20 3.363 -5.535 -5.875 136 2HB PRO 20 HB1 PRO 20 2.914 -4.940 -7.477 137 1HG PRO 20 HG2 PRO 20 5.148 -6.765 -6.690 138 2HG PRO 20 HG1 PRO 20 4.051 -6.869 -8.079 139 1HD PRO 20 HD2 PRO 20 6.572 -5.930 -8.286 140 2HD PRO 20 HD1 PRO 20 5.248 -5.329 -9.302 141 H GLU 21 HN GLU 21 6.663 -5.155 -5.679 142 HA GLU 21 HA GLU 21 6.083 -4.901 -2.908 143 1HB GLU 21 HB2 GLU 21 7.487 -6.713 -3.849 144 2HB GLU 21 HB1 GLU 21 8.724 -5.528 -4.239 145 1HG GLU 21 HG2 GLU 21 9.380 -5.284 -2.075 146 2HG GLU 21 HG1 GLU 21 7.787 -5.679 -1.430 147 H GLN 22 HN GLN 22 8.318 -3.220 -5.090 148 HA GLN 22 HA GLN 22 9.304 -1.472 -3.049 149 1HB GLN 22 HB2 GLN 22 9.523 -1.420 -6.061 150 2HB GLN 22 HB1 GLN 22 10.273 -0.216 -5.023 151 1HG GLN 22 HG2 GLN 22 10.818 -3.167 -4.837 152 2HG GLN 22 HG1 GLN 22 11.789 -2.038 -5.780 153 1HE2 GLN 22 HE21 GLN 22 13.185 -3.338 -4.033 154 2HE2 GLN 22 HE22 GLN 22 13.546 -2.404 -2.626 155 H GLN 23 HN GLN 23 7.114 -1.067 -5.819 156 HA GLN 23 HA GLN 23 6.490 1.603 -5.500 157 1HB GLN 23 HB2 GLN 23 5.768 0.212 -7.414 158 2HB GLN 23 HB1 GLN 23 4.592 -0.581 -6.375 159 1HG GLN 23 HG2 GLN 23 3.148 1.129 -6.483 160 2HG GLN 23 HG1 GLN 23 4.423 2.344 -6.406 161 1HE2 GLN 23 HE21 GLN 23 3.493 3.574 -8.037 162 2HE2 GLN 23 HE22 GLN 23 3.527 3.086 -9.693 163 H LYS 24 HN LYS 24 5.259 -1.173 -3.724 164 HA LYS 24 HA LYS 24 3.137 0.221 -2.442 165 1HB LYS 24 HB2 LYS 24 4.414 -2.423 -2.213 166 2HB LYS 24 HB1 LYS 24 3.721 -1.813 -0.716 167 1HG LYS 24 HG2 LYS 24 2.283 -2.208 -3.330 168 2HG LYS 24 HG1 LYS 24 2.111 -3.179 -1.869 169 1HD LYS 24 HD2 LYS 24 0.664 -1.734 -0.966 170 2HD LYS 24 HD1 LYS 24 1.674 -0.346 -1.373 171 1HE LYS 24 HE2 LYS 24 0.820 -0.649 -3.759 172 2HE LYS 24 HE1 LYS 24 -0.395 -1.718 -3.063 173 1HZ LYS 24 HZ1 LYS 24 -1.503 -0.006 -2.148 174 2HZ LYS 24 HZ2 LYS 24 -0.740 0.895 -3.357 175 3HZ LYS 24 HZ3 LYS 24 -0.106 0.875 -1.789 176 H ASN 25 HN ASN 25 6.490 -0.445 -1.601 177 HA ASN 25 HA ASN 25 6.534 0.360 1.040 178 1HB ASN 25 HB2 ASN 25 8.568 0.380 -1.150 179 2HB ASN 25 HB1 ASN 25 8.958 1.149 0.384 180 1HD2 ASN 25 HD21 ASN 25 8.408 -0.252 2.334 181 2HD2 ASN 25 HD22 ASN 25 8.872 -1.912 2.228 182 H VAL 26 HN VAL 26 7.163 2.419 -1.816 183 HA VAL 26 HA VAL 26 7.522 4.813 -0.433 184 HB VAL 26 HB VAL 26 7.867 4.271 -2.953 185 1HG1 VAL 26 HG11 VAL 26 6.136 5.055 -4.441 186 2HG1 VAL 26 HG12 VAL 26 5.097 5.453 -3.074 187 3HG1 VAL 26 HG13 VAL 26 5.499 3.772 -3.414 188 1HG2 VAL 26 HG21 VAL 26 6.857 6.989 -2.905 189 2HG2 VAL 26 HG22 VAL 26 8.510 6.401 -3.069 190 3HG2 VAL 26 HG23 VAL 26 7.805 6.609 -1.468 191 H LEU 27 HN LEU 27 4.562 3.370 -1.725 192 HA LEU 27 HA LEU 27 2.828 5.490 -1.124 193 1HB LEU 27 HB2 LEU 27 2.161 2.549 -1.144 194 2HB LEU 27 HB1 LEU 27 1.028 3.875 -1.319 195 HG LEU 27 HG LEU 27 3.152 3.046 -3.284 196 1HD1 LEU 27 HD11 LEU 27 1.402 1.582 -3.595 197 2HD1 LEU 27 HD12 LEU 27 0.992 2.885 -4.712 198 3HD1 LEU 27 HD13 LEU 27 0.185 2.778 -3.148 199 1HD2 LEU 27 HD21 LEU 27 3.158 5.131 -4.039 200 2HD2 LEU 27 HD22 LEU 27 1.906 5.608 -2.891 201 3HD2 LEU 27 HD23 LEU 27 1.456 4.930 -4.455 202 H GLY 28 HN GLY 28 3.563 2.541 0.743 203 1HA GLY 28 HA2 GLY 28 1.892 3.092 2.914 204 2HA GLY 28 HA1 GLY 28 3.315 2.067 2.973 205 H GLU 29 HN GLU 29 5.269 4.025 2.364 206 HA GLU 29 HA GLU 29 5.711 5.118 4.924 207 1HB GLU 29 HB2 GLU 29 6.969 5.794 2.259 208 2HB GLU 29 HB1 GLU 29 7.547 6.399 3.806 209 1HG GLU 29 HG2 GLU 29 7.254 3.471 3.545 210 2HG GLU 29 HG1 GLU 29 8.546 4.235 2.620 211 H ARG 30 HN ARG 30 4.809 6.656 1.852 212 HA ARG 30 HA ARG 30 4.406 9.233 2.991 213 1HB ARG 30 HB2 ARG 30 3.327 8.134 0.390 214 2HB ARG 30 HB1 ARG 30 3.458 9.829 0.830 215 1HG ARG 30 HG2 ARG 30 5.786 7.949 0.503 216 2HG ARG 30 HG1 ARG 30 5.225 9.097 -0.713 217 1HD ARG 30 HD2 ARG 30 5.664 10.943 0.835 218 2HD ARG 30 HD1 ARG 30 6.221 9.791 2.049 219 HE ARG 30 HE ARG 30 8.232 9.722 0.981 220 1HH1 ARG 30 HH11 ARG 30 5.850 10.959 -1.258 221 2HH1 ARG 30 HH12 ARG 30 7.012 11.291 -2.498 222 1HH2 ARG 30 HH21 ARG 30 9.755 10.161 -0.649 223 2HH2 ARG 30 HH22 ARG 30 9.229 10.842 -2.153 224 H LEU 31 HN LEU 31 2.535 6.390 2.997 225 HA LEU 31 HA LEU 31 -0.051 7.630 3.076 226 1HB LEU 31 HB2 LEU 31 0.988 5.026 2.835 227 2HB LEU 31 HB1 LEU 31 0.030 5.028 4.294 228 HG LEU 31 HG LEU 31 -1.484 6.325 2.275 229 1HD1 LEU 31 HD11 LEU 31 -1.189 3.638 1.244 230 2HD1 LEU 31 HD12 LEU 31 0.281 4.583 1.058 231 3HD1 LEU 31 HD13 LEU 31 -1.236 5.173 0.390 232 1HD2 LEU 31 HD21 LEU 31 -2.016 4.798 4.346 233 2HD2 LEU 31 HD22 LEU 31 -2.018 3.529 3.123 234 3HD2 LEU 31 HD23 LEU 31 -3.122 4.898 2.978 235 H TYR 32 HN TYR 32 1.799 5.795 5.482 236 HA TYR 32 HA TYR 32 0.291 6.294 7.715 237 1HB TYR 32 HB2 TYR 32 2.454 4.859 7.306 238 2HB TYR 32 HB1 TYR 32 3.293 6.290 7.883 239 HD1 TYR 32 HD1 TYR 32 1.949 3.220 8.849 240 HD2 TYR 32 HD2 TYR 32 2.293 7.247 10.162 241 HE1 TYR 32 HE1 TYR 32 1.621 2.487 11.174 242 HE2 TYR 32 HE2 TYR 32 1.958 6.529 12.489 243 HH TYR 32 HH TYR 32 1.028 3.277 13.294 244 H ASN 33 HN ASN 33 2.627 8.408 6.177 245 HA ASN 33 HA ASN 33 2.889 10.300 8.262 246 1HB ASN 33 HB2 ASN 33 4.564 10.362 6.614 247 2HB ASN 33 HB1 ASN 33 3.397 10.341 5.298 248 1HD2 ASN 33 HD21 ASN 33 1.965 12.307 5.178 249 2HD2 ASN 33 HD22 ASN 33 2.722 13.834 5.475 250 H HIS 34 HN HIS 34 0.663 10.105 5.522 251 HA HIS 34 HA HIS 34 -0.454 12.660 5.851 252 1HB HIS 34 HB2 HIS 34 -2.179 11.941 4.405 253 2HB HIS 34 HB1 HIS 34 -0.731 11.121 3.855 254 HD1 HIS 34 HD1 HIS 34 -1.336 8.827 3.128 255 HD2 HIS 34 HD2 HIS 34 -3.542 10.035 6.414 256 HE1 HIS 34 HE1 HIS 34 -2.803 6.866 3.720 257 HE2 HIS 34 HE2 HIS 34 -4.057 7.593 5.767 258 H ILE 35 HN ILE 35 -1.254 9.545 7.180 259 HA ILE 35 HA ILE 35 -3.421 10.670 8.765 260 HB ILE 35 HB ILE 35 -4.081 8.675 7.722 261 1HG1 ILE 35 HG12 ILE 35 -3.342 7.679 10.462 262 2HG1 ILE 35 HG11 ILE 35 -4.538 8.951 10.240 263 1HG2 ILE 35 HG21 ILE 35 -1.577 7.385 8.789 264 2HG2 ILE 35 HG22 ILE 35 -1.899 7.820 7.110 265 3HG2 ILE 35 HG23 ILE 35 -2.855 6.565 7.888 266 1HD1 ILE 35 HD11 ILE 35 -5.390 7.034 8.489 267 2HD1 ILE 35 HD12 ILE 35 -6.009 7.290 10.119 268 3HD1 ILE 35 HD13 ILE 35 -4.758 6.080 9.831 269 H VAL 36 HN VAL 36 -0.108 9.722 9.279 270 HA VAL 36 HA VAL 36 -0.282 8.893 11.938 271 HB VAL 36 HB VAL 36 1.817 8.730 10.662 272 1HG1 VAL 36 HG11 VAL 36 2.195 11.665 11.189 273 2HG1 VAL 36 HG12 VAL 36 1.674 11.006 9.639 274 3HG1 VAL 36 HG13 VAL 36 3.257 10.584 10.286 275 1HG2 VAL 36 HG21 VAL 36 2.492 8.373 12.760 276 2HG2 VAL 36 HG22 VAL 36 1.574 9.741 13.383 277 3HG2 VAL 36 HG23 VAL 36 3.167 9.997 12.673 278 H ALA 37 HN ALA 37 0.254 12.167 10.662 279 HA ALA 37 HA ALA 37 0.150 13.412 13.221 280 1HB ALA 37 HB1 ALA 37 0.391 15.444 12.079 281 2HB ALA 37 HB2 ALA 37 -0.347 14.807 10.610 282 3HB ALA 37 HB3 ALA 37 1.266 14.275 11.089 283 H ILE 38 HN ILE 38 -2.212 12.429 10.897 284 HA ILE 38 HA ILE 38 -4.273 14.147 12.048 285 HB ILE 38 HB ILE 38 -4.216 12.299 9.688 286 1HG1 ILE 38 HG12 ILE 38 -5.128 14.357 8.582 287 2HG1 ILE 38 HG11 ILE 38 -4.981 15.195 10.123 288 1HG2 ILE 38 HG21 ILE 38 -6.302 11.623 10.267 289 2HG2 ILE 38 HG22 ILE 38 -6.744 13.171 9.548 290 3HG2 ILE 38 HG23 ILE 38 -6.591 13.023 11.299 291 1HD1 ILE 38 HD11 ILE 38 -2.899 14.397 8.188 292 2HD1 ILE 38 HD12 ILE 38 -2.477 14.336 9.897 293 3HD1 ILE 38 HD13 ILE 38 -3.035 15.844 9.182 294 H ASN 39 HN ASN 39 -4.074 10.625 11.437 295 HA ASN 39 HA ASN 39 -5.532 10.226 13.968 296 1HB ASN 39 HB2 ASN 39 -6.584 9.676 11.529 297 2HB ASN 39 HB1 ASN 39 -5.815 8.140 11.897 298 1HD2 ASN 39 HD21 ASN 39 -6.137 8.055 14.638 299 2HD2 ASN 39 HD22 ASN 39 -7.821 7.922 15.007 300 HA PRO 40 HA PRO 40 -1.328 8.260 14.346 301 1HB PRO 40 HB2 PRO 40 -2.233 8.526 17.172 302 2HB PRO 40 HB1 PRO 40 -0.652 8.870 16.458 303 1HG PRO 40 HG2 PRO 40 -2.296 10.854 17.112 304 2HG PRO 40 HG1 PRO 40 -1.328 10.930 15.626 305 1HD PRO 40 HD2 PRO 40 -4.236 10.346 15.970 306 2HD PRO 40 HD1 PRO 40 -3.410 11.241 14.680 307 H ALA 41 HN ALA 41 -4.381 7.508 15.979 308 HA ALA 41 HA ALA 41 -3.541 4.735 16.338 309 1HB ALA 41 HB1 ALA 41 -5.899 4.604 17.416 310 2HB ALA 41 HB2 ALA 41 -5.823 6.366 17.380 311 3HB ALA 41 HB3 ALA 41 -4.602 5.449 18.264 312 H ALA 42 HN ALA 42 -3.669 5.279 13.713 313 HA ALA 42 HA ALA 42 -5.710 3.467 12.811 314 1HB ALA 42 HB1 ALA 42 -6.587 5.055 11.080 315 2HB ALA 42 HB2 ALA 42 -5.793 6.352 11.966 316 3HB ALA 42 HB3 ALA 42 -7.072 5.416 12.738 317 H ALA 43 HN ALA 43 -3.257 5.851 11.873 318 HA ALA 43 HA ALA 43 -2.581 5.227 9.356 319 1HB ALA 43 HB1 ALA 43 -0.340 5.886 9.804 320 2HB ALA 43 HB2 ALA 43 -0.485 5.437 11.504 321 3HB ALA 43 HB3 ALA 43 -1.386 6.818 10.878 322 H ALA 44 HN ALA 44 -1.467 3.352 12.175 323 HA ALA 44 HA ALA 44 0.023 1.439 10.858 324 1HB ALA 44 HB1 ALA 44 0.077 0.315 12.830 325 2HB ALA 44 HB2 ALA 44 -1.653 0.506 13.112 326 3HB ALA 44 HB3 ALA 44 -0.555 1.852 13.420 327 H LYS 45 HN LYS 45 -3.460 1.473 11.481 328 HA LYS 45 HA LYS 45 -3.962 -1.061 10.302 329 1HB LYS 45 HB2 LYS 45 -5.510 1.085 11.501 330 2HB LYS 45 HB1 LYS 45 -6.321 0.412 10.094 331 1HG LYS 45 HG2 LYS 45 -5.370 -1.123 12.502 332 2HG LYS 45 HG1 LYS 45 -7.040 -0.699 12.119 333 1HD LYS 45 HD2 LYS 45 -7.189 -2.250 10.431 334 2HD LYS 45 HD1 LYS 45 -5.452 -2.228 10.110 335 1HE LYS 45 HE2 LYS 45 -5.429 -3.187 12.610 336 2HE LYS 45 HE1 LYS 45 -7.003 -3.783 12.090 337 1HZ LYS 45 HZ1 LYS 45 -5.935 -4.851 10.205 338 2HZ LYS 45 HZ2 LYS 45 -5.258 -5.391 11.655 339 3HZ LYS 45 HZ3 LYS 45 -4.425 -4.272 10.701 340 H VAL 46 HN VAL 46 -4.280 2.270 9.163 341 HA VAL 46 HA VAL 46 -5.308 1.700 6.617 342 HB VAL 46 HB VAL 46 -3.733 4.040 7.677 343 1HG1 VAL 46 HG11 VAL 46 -4.731 3.530 4.910 344 2HG1 VAL 46 HG12 VAL 46 -3.216 4.245 5.448 345 3HG1 VAL 46 HG13 VAL 46 -4.710 5.172 5.552 346 1HG2 VAL 46 HG21 VAL 46 -6.558 4.163 6.759 347 2HG2 VAL 46 HG22 VAL 46 -5.742 5.071 8.031 348 3HG2 VAL 46 HG23 VAL 46 -6.202 3.390 8.303 349 H THR 47 HN THR 47 -1.958 2.474 7.562 350 HA THR 47 HA THR 47 -0.740 2.154 5.107 351 HB THR 47 HB THR 47 0.455 1.375 7.770 352 HG1 THR 47 HG1 THR 47 -0.188 3.386 8.137 353 1HG2 THR 47 HG21 THR 47 1.787 2.538 5.336 354 2HG2 THR 47 HG22 THR 47 1.861 0.845 5.822 355 3HG2 THR 47 HG23 THR 47 2.559 2.091 6.856 356 H GLY 48 HN GLY 48 -1.072 -0.322 7.645 357 1HA GLY 48 HA2 GLY 48 0.076 -2.394 6.088 358 2HA GLY 48 HA1 GLY 48 -0.828 -2.601 7.578 359 H MET 49 HN MET 49 -3.312 -1.881 7.086 360 HA MET 49 HA MET 49 -4.263 -3.982 5.432 361 1HB MET 49 HB2 MET 49 -5.708 -1.676 6.741 362 2HB MET 49 HB1 MET 49 -6.523 -2.936 5.833 363 1HG MET 49 HG2 MET 49 -4.972 -3.232 8.388 364 2HG MET 49 HG1 MET 49 -6.701 -3.462 8.137 365 1HE MET 49 HE1 MET 49 -3.283 -4.782 8.198 366 2HE MET 49 HE2 MET 49 -3.488 -6.524 7.992 367 3HE MET 49 HE3 MET 49 -4.230 -5.705 9.365 368 H LEU 50 HN LEU 50 -4.321 -0.445 5.094 369 HA LEU 50 HA LEU 50 -5.264 0.770 3.309 370 1HB LEU 50 HB2 LEU 50 -2.858 1.006 3.256 371 2HB LEU 50 HB1 LEU 50 -2.702 -0.450 2.296 372 HG LEU 50 HG LEU 50 -4.131 0.775 0.540 373 1HD1 LEU 50 HD11 LEU 50 -3.181 3.372 1.194 374 2HD1 LEU 50 HD12 LEU 50 -4.088 2.752 2.572 375 3HD1 LEU 50 HD13 LEU 50 -4.844 2.826 0.982 376 1HD2 LEU 50 HD21 LEU 50 -1.795 2.307 0.309 377 2HD2 LEU 50 HD22 LEU 50 -2.148 0.757 -0.444 378 3HD2 LEU 50 HD23 LEU 50 -1.321 0.812 1.112 379 H LEU 51 HN LEU 51 -3.847 -2.075 1.663 380 HA LEU 51 HA LEU 51 -5.766 -1.967 -0.421 381 1HB LEU 51 HB2 LEU 51 -3.984 -4.286 0.274 382 2HB LEU 51 HB1 LEU 51 -4.666 -3.890 -1.294 383 HG LEU 51 HG LEU 51 -2.913 -1.830 -0.094 384 1HD1 LEU 51 HD11 LEU 51 -1.001 -3.282 -1.269 385 2HD1 LEU 51 HD12 LEU 51 -2.007 -4.588 -0.639 386 3HD1 LEU 51 HD13 LEU 51 -1.357 -3.370 0.458 387 1HD2 LEU 51 HD21 LEU 51 -2.215 -2.555 -2.738 388 2HD2 LEU 51 HD22 LEU 51 -3.055 -1.108 -2.184 389 3HD2 LEU 51 HD23 LEU 51 -3.976 -2.537 -2.641 390 H GLU 52 HN GLU 52 -7.547 -1.925 1.312 391 HA GLU 52 HA GLU 52 -8.305 -4.545 2.293 392 1HB GLU 52 HB2 GLU 52 -10.050 -2.105 2.428 393 2HB GLU 52 HB1 GLU 52 -9.964 -3.463 3.539 394 1HG GLU 52 HG2 GLU 52 -7.849 -2.692 4.392 395 2HG GLU 52 HG1 GLU 52 -7.797 -1.401 3.194 396 H MET 53 HN MET 53 -10.832 -4.964 1.986 397 HA MET 53 HA MET 53 -11.165 -5.625 -0.723 398 1HB MET 53 HB2 MET 53 -12.748 -5.831 1.746 399 2HB MET 53 HB1 MET 53 -13.715 -5.730 0.283 400 1HG MET 53 HG2 MET 53 -11.637 -7.783 0.978 401 2HG MET 53 HG1 MET 53 -13.373 -8.023 0.793 402 1HE MET 53 HE1 MET 53 -13.169 -6.672 -3.153 403 2HE MET 53 HE2 MET 53 -13.502 -5.868 -1.621 404 3HE MET 53 HE3 MET 53 -14.438 -7.285 -2.094 405 H ASP 54 HN ASP 54 -13.096 -3.300 1.193 406 HA ASP 54 HA ASP 54 -13.953 -2.032 -1.292 407 1HB ASP 54 HB2 ASP 54 -15.694 -2.483 0.307 408 2HB ASP 54 HB1 ASP 54 -14.819 -1.637 1.577 409 H ASN 55 HN ASN 55 -13.089 -0.663 1.864 410 HA ASN 55 HA ASN 55 -12.369 1.835 1.096 411 1HB ASN 55 HB2 ASN 55 -12.452 1.040 3.436 412 2HB ASN 55 HB1 ASN 55 -10.940 0.178 3.184 413 1HD2 ASN 55 HD21 ASN 55 -11.543 3.304 1.759 414 2HD2 ASN 55 HD22 ASN 55 -10.445 4.182 2.752 415 H GLY 56 HN GLY 56 -10.539 -1.101 0.670 416 1HA GLY 56 HA2 GLY 56 -8.043 0.092 0.056 417 2HA GLY 56 HA1 GLY 56 -8.544 -1.534 -0.381 418 H GLU 57 HN GLU 57 -10.487 -1.361 -2.139 419 HA GLU 57 HA GLU 57 -9.474 -0.930 -4.562 420 1HB GLU 57 HB2 GLU 57 -12.262 -0.072 -3.786 421 2HB GLU 57 HB1 GLU 57 -11.707 -0.411 -5.421 422 1HG GLU 57 HG2 GLU 57 -11.264 -2.557 -3.465 423 2HG GLU 57 HG1 GLU 57 -12.951 -2.203 -3.838 424 H ILE 58 HN ILE 58 -11.159 1.703 -2.839 425 HA ILE 58 HA ILE 58 -10.725 3.733 -4.676 426 HB ILE 58 HB ILE 58 -10.861 3.907 -1.661 427 1HG1 ILE 58 HG12 ILE 58 -13.099 4.765 -3.404 428 2HG1 ILE 58 HG11 ILE 58 -12.787 3.033 -3.327 429 1HG2 ILE 58 HG21 ILE 58 -11.432 6.172 -3.551 430 2HG2 ILE 58 HG22 ILE 58 -9.829 5.915 -2.865 431 3HG2 ILE 58 HG23 ILE 58 -11.199 6.226 -1.803 432 1HD1 ILE 58 HD11 ILE 58 -13.382 4.857 -1.013 433 2HD1 ILE 58 HD12 ILE 58 -12.962 3.151 -0.872 434 3HD1 ILE 58 HD13 ILE 58 -14.443 3.628 -1.699 435 H LEU 59 HN LEU 59 -8.673 2.685 -1.984 436 HA LEU 59 HA LEU 59 -6.707 4.484 -1.845 437 1HB LEU 59 HB2 LEU 59 -5.371 2.871 -0.943 438 2HB LEU 59 HB1 LEU 59 -6.940 2.111 -0.818 439 HG LEU 59 HG LEU 59 -6.264 1.066 -3.154 440 1HD1 LEU 59 HD11 LEU 59 -3.546 1.072 -1.951 441 2HD1 LEU 59 HD12 LEU 59 -4.038 2.495 -2.867 442 3HD1 LEU 59 HD13 LEU 59 -4.040 0.908 -3.636 443 1HD2 LEU 59 HD21 LEU 59 -5.909 0.283 -0.371 444 2HD2 LEU 59 HD22 LEU 59 -4.850 -0.587 -1.480 445 3HD2 LEU 59 HD23 LEU 59 -6.595 -0.613 -1.725 446 H ASN 60 HN ASN 60 -7.194 2.295 -4.527 447 HA ASN 60 HA ASN 60 -4.826 2.403 -5.878 448 1HB ASN 60 HB2 ASN 60 -7.309 1.497 -6.486 449 2HB ASN 60 HB1 ASN 60 -7.176 2.850 -7.604 450 1HD2 ASN 60 HD21 ASN 60 -6.576 -0.364 -7.194 451 2HD2 ASN 60 HD22 ASN 60 -5.385 -0.591 -8.425 452 H LEU 61 HN LEU 61 -7.005 5.050 -5.344 453 HA LEU 61 HA LEU 61 -5.417 6.716 -7.181 454 1HB LEU 61 HB2 LEU 61 -8.208 7.188 -6.145 455 2HB LEU 61 HB1 LEU 61 -7.337 8.234 -7.246 456 HG LEU 61 HG LEU 61 -7.596 5.450 -8.157 457 1HD1 LEU 61 HD11 LEU 61 -9.971 7.102 -7.471 458 2HD1 LEU 61 HD12 LEU 61 -9.753 5.353 -7.410 459 3HD1 LEU 61 HD13 LEU 61 -10.002 6.158 -8.960 460 1HD2 LEU 61 HD21 LEU 61 -7.279 8.101 -9.217 461 2HD2 LEU 61 HD22 LEU 61 -8.622 7.277 -10.009 462 3HD2 LEU 61 HD23 LEU 61 -7.018 6.542 -9.998 463 H LEU 62 HN LEU 62 -4.096 6.386 -4.941 464 HA LEU 62 HA LEU 62 -4.381 7.523 -2.589 465 1HB LEU 62 HB2 LEU 62 -2.099 7.986 -4.484 466 2HB LEU 62 HB1 LEU 62 -2.041 8.502 -2.811 467 HG LEU 62 HG LEU 62 -2.742 5.676 -3.294 468 1HD1 LEU 62 HD11 LEU 62 -0.917 6.210 -4.941 469 2HD1 LEU 62 HD12 LEU 62 -0.544 4.951 -3.764 470 3HD1 LEU 62 HD13 LEU 62 0.112 6.573 -3.554 471 1HD2 LEU 62 HD21 LEU 62 -1.468 7.351 -1.244 472 2HD2 LEU 62 HD22 LEU 62 -0.798 5.731 -1.426 473 3HD2 LEU 62 HD23 LEU 62 -2.514 5.942 -1.070 474 H ASP 63 HN ASP 63 -5.928 9.094 -2.398 475 HA ASP 63 HA ASP 63 -5.268 11.750 -3.501 476 1HB ASP 63 HB2 ASP 63 -7.666 10.243 -3.642 477 2HB ASP 63 HB1 ASP 63 -7.985 11.621 -2.593 478 H THR 64 HN THR 64 -5.976 13.616 -2.175 479 HA THR 64 HA THR 64 -5.072 13.278 0.520 480 HB THR 64 HB THR 64 -6.383 15.819 0.022 481 HG1 THR 64 HG1 THR 64 -4.333 16.037 -1.586 482 1HG2 THR 64 HG21 THR 64 -4.450 16.744 0.845 483 2HG2 THR 64 HG22 THR 64 -3.434 15.445 0.220 484 3HG2 THR 64 HG23 THR 64 -4.458 15.164 1.628 485 HA PRO 65 HA PRO 65 -9.644 14.190 1.580 486 1HB PRO 65 HB2 PRO 65 -11.496 14.022 -0.409 487 2HB PRO 65 HB1 PRO 65 -10.680 15.519 0.045 488 1HG PRO 65 HG2 PRO 65 -10.250 13.767 -2.299 489 2HG PRO 65 HG1 PRO 65 -9.988 15.509 -2.128 490 1HD PRO 65 HD2 PRO 65 -8.016 13.525 -2.078 491 2HD PRO 65 HD1 PRO 65 -7.817 15.209 -1.565 492 H GLY 66 HN GLY 66 -10.276 12.148 -1.266 493 1HA GLY 66 HA2 GLY 66 -11.856 10.260 -0.113 494 2HA GLY 66 HA1 GLY 66 -10.774 9.914 -1.450 495 H LEU 67 HN LEU 67 -8.332 9.865 -0.515 496 HA LEU 67 HA LEU 67 -8.098 7.452 0.845 497 1HB LEU 67 HB2 LEU 67 -6.407 9.415 -0.292 498 2HB LEU 67 HB1 LEU 67 -5.779 9.051 1.298 499 HG LEU 67 HG LEU 67 -4.830 7.732 -0.643 500 1HD1 LEU 67 HD11 LEU 67 -4.970 7.112 1.903 501 2HD1 LEU 67 HD12 LEU 67 -4.368 5.958 0.712 502 3HD1 LEU 67 HD13 LEU 67 -6.020 5.834 1.304 503 1HD2 LEU 67 HD21 LEU 67 -6.080 6.330 -1.872 504 2HD2 LEU 67 HD22 LEU 67 -7.409 7.371 -1.362 505 3HD2 LEU 67 HD23 LEU 67 -7.091 5.863 -0.503 506 H LEU 68 HN LEU 68 -6.974 10.566 2.172 507 HA LEU 68 HA LEU 68 -6.679 9.756 4.784 508 1HB LEU 68 HB2 LEU 68 -7.277 12.410 3.563 509 2HB LEU 68 HB1 LEU 68 -7.274 12.250 5.304 510 HG LEU 68 HG LEU 68 -4.933 11.334 5.124 511 1HD1 LEU 68 HD11 LEU 68 -3.844 12.249 2.913 512 2HD1 LEU 68 HD12 LEU 68 -5.463 11.974 2.269 513 3HD1 LEU 68 HD13 LEU 68 -4.561 10.637 2.979 514 1HD2 LEU 68 HD21 LEU 68 -5.462 14.139 4.155 515 2HD2 LEU 68 HD22 LEU 68 -3.921 13.555 4.784 516 3HD2 LEU 68 HD23 LEU 68 -5.338 13.610 5.832 517 H ASP 69 HN ASP 69 -9.661 10.415 3.124 518 HA ASP 69 HA ASP 69 -11.164 10.663 5.590 519 1HB ASP 69 HB2 ASP 69 -11.715 11.825 3.361 520 2HB ASP 69 HB1 ASP 69 -12.366 10.267 2.859 521 H ALA 70 HN ALA 70 -11.303 8.391 2.832 522 HA ALA 70 HA ALA 70 -12.843 6.479 4.239 523 1HB ALA 70 HB1 ALA 70 -12.556 5.070 2.366 524 2HB ALA 70 HB2 ALA 70 -11.070 5.888 1.883 525 3HB ALA 70 HB3 ALA 70 -12.620 6.716 1.732 526 H LYS 71 HN LYS 71 -9.562 7.305 4.463 527 HA LYS 71 HA LYS 71 -8.615 4.681 5.229 528 1HB LYS 71 HB2 LYS 71 -7.381 7.415 5.118 529 2HB LYS 71 HB1 LYS 71 -6.538 6.060 5.852 530 1HG LYS 71 HG2 LYS 71 -7.400 6.328 2.981 531 2HG LYS 71 HG1 LYS 71 -5.757 6.292 3.614 532 1HD LYS 71 HD2 LYS 71 -5.883 4.124 2.993 533 2HD LYS 71 HD1 LYS 71 -6.657 3.953 4.568 534 1HE LYS 71 HE2 LYS 71 -7.813 2.872 2.567 535 2HE LYS 71 HE1 LYS 71 -8.796 3.866 3.634 536 1HZ LYS 71 HZ1 LYS 71 -8.842 4.117 1.013 537 2HZ LYS 71 HZ2 LYS 71 -7.593 5.203 1.344 538 3HZ LYS 71 HZ3 LYS 71 -9.111 5.426 2.049 539 H VAL 72 HN VAL 72 -8.898 7.836 6.880 540 HA VAL 72 HA VAL 72 -8.292 6.863 9.450 541 HB VAL 72 HB VAL 72 -9.441 8.925 10.291 542 1HG1 VAL 72 HG11 VAL 72 -7.563 10.083 9.916 543 2HG1 VAL 72 HG12 VAL 72 -7.754 10.012 8.165 544 3HG1 VAL 72 HG13 VAL 72 -7.033 8.653 9.030 545 1HG2 VAL 72 HG21 VAL 72 -11.119 9.605 8.938 546 2HG2 VAL 72 HG22 VAL 72 -10.338 8.995 7.480 547 3HG2 VAL 72 HG23 VAL 72 -9.831 10.532 8.172 548 H GLN 73 HN GLN 73 -11.386 7.366 7.812 549 HA GLN 73 HA GLN 73 -13.036 6.657 9.966 550 1HB GLN 73 HB2 GLN 73 -13.623 6.303 7.024 551 2HB GLN 73 HB1 GLN 73 -14.797 6.467 8.323 552 1HG GLN 73 HG2 GLN 73 -12.812 8.603 7.579 553 2HG GLN 73 HG1 GLN 73 -14.457 8.516 6.942 554 1HE2 GLN 73 HE21 GLN 73 -15.924 7.837 9.100 555 2HE2 GLN 73 HE22 GLN 73 -15.827 9.061 10.312 556 H GLU 74 HN GLU 74 -11.989 4.702 7.165 557 HA GLU 74 HA GLU 74 -13.184 2.312 7.967 558 1HB GLU 74 HB2 GLU 74 -12.332 2.659 5.721 559 2HB GLU 74 HB1 GLU 74 -10.684 2.709 6.331 560 1HG GLU 74 HG2 GLU 74 -11.492 0.547 5.262 561 2HG GLU 74 HG1 GLU 74 -10.660 0.430 6.809 562 H ALA 75 HN ALA 75 -9.938 3.566 8.652 563 HA ALA 75 HA ALA 75 -9.052 1.252 10.035 564 1HB ALA 75 HB1 ALA 75 -7.658 3.508 11.015 565 2HB ALA 75 HB2 ALA 75 -7.952 3.767 9.298 566 3HB ALA 75 HB3 ALA 75 -7.117 2.312 9.839 567 H LEU 76 HN LEU 76 -10.450 4.328 11.129 568 HA LEU 76 HA LEU 76 -10.278 3.652 13.895 569 1HB LEU 76 HB2 LEU 76 -11.511 5.829 12.295 570 2HB LEU 76 HB1 LEU 76 -12.166 5.555 13.892 571 HG LEU 76 HG LEU 76 -9.374 6.396 13.158 572 1HD1 LEU 76 HD11 LEU 76 -11.683 7.595 14.626 573 2HD1 LEU 76 HD12 LEU 76 -10.672 8.293 13.361 574 3HD1 LEU 76 HD13 LEU 76 -10.036 8.108 14.995 575 1HD2 LEU 76 HD21 LEU 76 -8.681 5.071 14.839 576 2HD2 LEU 76 HD22 LEU 76 -10.301 4.897 15.512 577 3HD2 LEU 76 HD23 LEU 76 -9.349 6.339 15.865 578 H GLU 77 HN GLU 77 -12.640 3.170 11.375 579 HA GLU 77 HA GLU 77 -14.810 2.482 13.095 580 1HB GLU 77 HB2 GLU 77 -14.955 3.271 10.679 581 2HB GLU 77 HB1 GLU 77 -14.486 1.642 10.217 582 1HG GLU 77 HG2 GLU 77 -16.651 1.170 10.207 583 2HG GLU 77 HG1 GLU 77 -16.570 1.228 11.967 584 H VAL 78 HN VAL 78 -12.421 0.592 11.257 585 HA VAL 78 HA VAL 78 -13.463 -1.869 12.418 586 HB VAL 78 HB VAL 78 -12.748 -1.657 9.972 587 1HG1 VAL 78 HG11 VAL 78 -10.472 -1.853 9.394 588 2HG1 VAL 78 HG12 VAL 78 -9.993 -2.154 11.064 589 3HG1 VAL 78 HG13 VAL 78 -10.549 -0.552 10.580 590 1HG2 VAL 78 HG21 VAL 78 -11.585 -3.898 11.620 591 2HG2 VAL 78 HG22 VAL 78 -11.974 -3.958 9.901 592 3HG2 VAL 78 HG23 VAL 78 -13.264 -3.777 11.091 593 H LEU 79 HN LEU 79 -10.489 0.061 12.437 594 HA LEU 79 HA LEU 79 -8.722 0.129 13.851 595 1HB LEU 79 HB2 LEU 79 -10.877 -0.982 15.607 596 2HB LEU 79 HB1 LEU 79 -9.245 -0.849 16.221 597 HG LEU 79 HG LEU 79 -11.043 1.389 15.310 598 1HD1 LEU 79 HD11 LEU 79 -10.497 0.170 17.826 599 2HD1 LEU 79 HD12 LEU 79 -11.555 1.533 17.461 600 3HD1 LEU 79 HD13 LEU 79 -9.853 1.813 17.841 601 1HD2 LEU 79 HD21 LEU 79 -8.088 1.313 15.727 602 2HD2 LEU 79 HD22 LEU 79 -8.992 2.763 16.162 603 3HD2 LEU 79 HD23 LEU 79 -9.029 2.165 14.505 604 H ASN 80 HN ASN 80 -7.748 -1.615 15.777 605 HA ASN 80 HA ASN 80 -6.494 -3.572 14.168 606 1HB ASN 80 HB2 ASN 80 -6.092 -2.457 16.722 607 2HB ASN 80 HB1 ASN 80 -6.279 -4.188 16.981 608 1HD2 ASN 80 HD21 ASN 80 -4.996 -5.562 15.418 609 2HD2 ASN 80 HD22 ASN 80 -3.381 -5.048 15.083 610 H ARG 81 HN ARG 81 -9.594 -3.615 15.218 611 HA ARG 81 HA ARG 81 -9.823 -6.296 16.155 612 1HB ARG 81 HB2 ARG 81 -11.933 -4.493 14.957 613 2HB ARG 81 HB1 ARG 81 -12.229 -5.956 15.888 614 1HG ARG 81 HG2 ARG 81 -10.552 -4.113 17.343 615 2HG ARG 81 HG1 ARG 81 -12.065 -3.353 16.847 616 1HD ARG 81 HD2 ARG 81 -13.298 -5.258 17.829 617 2HD ARG 81 HD1 ARG 81 -11.769 -5.927 18.390 618 HE ARG 81 HE ARG 81 -11.843 -4.473 20.139 619 1HH1 ARG 81 HH11 ARG 81 -13.885 -3.221 17.599 620 2HH1 ARG 81 HH12 ARG 81 -14.463 -1.894 18.548 621 1HH2 ARG 81 HH21 ARG 81 -12.608 -2.729 21.390 622 2HH2 ARG 81 HH22 ARG 81 -13.741 -1.615 20.698 623 H HIS 82 HN HIS 82 -8.460 -5.737 13.506 624 HA HIS 82 HA HIS 82 -10.113 -6.833 11.468 625 1HB HIS 82 HB2 HIS 82 -7.544 -5.605 11.671 626 2HB HIS 82 HB1 HIS 82 -7.342 -7.152 10.848 627 HD1 HIS 82 HD1 HIS 82 -9.827 -4.266 10.576 628 HD2 HIS 82 HD2 HIS 82 -7.606 -6.839 8.186 629 HE1 HIS 82 HE1 HIS 82 -10.350 -3.604 8.208 630 HE2 HIS 82 HE2 HIS 82 -8.893 -5.087 6.787 631 H MET 83 HN MET 83 -8.525 -8.202 14.101 632 HA MET 83 HA MET 83 -8.982 -10.874 13.059 633 1HB MET 83 HB2 MET 83 -6.343 -9.733 13.270 634 2HB MET 83 HB1 MET 83 -6.500 -11.081 14.388 635 1HG MET 83 HG2 MET 83 -7.292 -11.303 11.505 636 2HG MET 83 HG1 MET 83 -5.641 -11.591 12.056 637 1HE MET 83 HE1 MET 83 -6.122 -12.920 14.902 638 2HE MET 83 HE2 MET 83 -4.960 -13.541 13.731 639 3HE MET 83 HE3 MET 83 -6.125 -14.632 14.481 640 H ASN 84 HN ASN 84 -8.804 -12.533 14.797 641 HA ASN 84 HA ASN 84 -10.094 -11.579 17.170 642 1HB ASN 84 HB2 ASN 84 -10.228 -13.920 15.862 643 2HB ASN 84 HB1 ASN 84 -9.033 -14.354 17.080 644 1HD2 ASN 84 HD21 ASN 84 -10.577 -15.833 17.913 645 2HD2 ASN 84 HD22 ASN 84 -11.859 -15.285 18.932 646 H VAL 85 HN VAL 85 -7.065 -13.387 16.651 647 HA VAL 85 HA VAL 85 -5.982 -12.062 19.050 648 HB VAL 85 HB VAL 85 -5.347 -14.889 18.200 649 1HG1 VAL 85 HG11 VAL 85 -4.782 -13.782 20.904 650 2HG1 VAL 85 HG12 VAL 85 -3.717 -13.341 19.571 651 3HG1 VAL 85 HG13 VAL 85 -3.938 -15.038 19.999 652 1HG2 VAL 85 HG21 VAL 85 -7.486 -13.794 19.891 653 2HG2 VAL 85 HG22 VAL 85 -6.571 -15.121 20.609 654 3HG2 VAL 85 HG23 VAL 85 -7.378 -15.345 19.058 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 29.078 16.405 -28.631 2 2H GLY 1 HT2 GLY 1 29.356 18.025 -29.032 3 3H GLY 1 HT3 GLY 1 29.349 16.844 -30.242 4 1HA GLY 1 HA1 GLY 1 27.281 18.337 -29.926 5 2HA GLY 1 HA2 GLY 1 27.084 16.623 -30.256 6 H SER 2 HN SER 2 25.312 18.521 -28.862 7 HA SER 2 HA SER 2 25.369 17.642 -26.094 8 1HB SER 2 HB2 SER 2 22.966 19.073 -26.734 9 2HB SER 2 HB1 SER 2 24.319 19.588 -25.728 10 HG SER 2 HG SER 2 23.913 19.993 -28.491 11 H SER 3 HN SER 3 24.226 16.004 -25.287 12 HA SER 3 HA SER 3 21.702 15.186 -26.319 13 1HB SER 3 HB2 SER 3 22.908 12.750 -26.675 14 2HB SER 3 HB1 SER 3 22.486 13.864 -27.975 15 HG SER 3 HG SER 3 24.690 13.159 -28.034 16 H LEU 4 HN LEU 4 20.695 14.813 -24.464 17 HA LEU 4 HA LEU 4 22.149 13.663 -22.214 18 1HB LEU 4 HB2 LEU 4 19.938 15.469 -22.527 19 2HB LEU 4 HB1 LEU 4 19.446 14.117 -21.524 20 HG LEU 4 HG LEU 4 22.050 15.222 -20.770 21 1HD1 LEU 4 HD11 LEU 4 19.599 16.961 -20.737 22 2HD1 LEU 4 HD12 LEU 4 21.198 17.334 -21.379 23 3HD1 LEU 4 HD13 LEU 4 20.955 17.203 -19.636 24 1HD2 LEU 4 HD21 LEU 4 20.876 13.600 -19.410 25 2HD2 LEU 4 HD22 LEU 4 19.482 14.675 -19.287 26 3HD2 LEU 4 HD23 LEU 4 21.014 15.127 -18.539 27 H ALA 5 HN ALA 5 19.880 12.746 -24.634 28 HA ALA 5 HA ALA 5 18.982 10.398 -23.166 29 1HB ALA 5 HB1 ALA 5 17.168 10.586 -24.434 30 2HB ALA 5 HB2 ALA 5 18.134 10.381 -25.896 31 3HB ALA 5 HB3 ALA 5 17.890 11.991 -25.219 32 H SER 6 HN SER 6 19.857 8.436 -23.359 33 HA SER 6 HA SER 6 21.841 8.018 -25.494 34 1HB SER 6 HB2 SER 6 21.868 7.457 -22.638 35 2HB SER 6 HB1 SER 6 22.239 6.019 -23.590 36 HG SER 6 HG SER 6 24.091 6.863 -24.111 37 H GLN 7 HN GLN 7 20.249 5.620 -23.430 38 HA GLN 7 HA GLN 7 19.686 3.973 -25.723 39 1HB GLN 7 HB2 GLN 7 19.157 3.649 -22.772 40 2HB GLN 7 HB1 GLN 7 18.633 2.468 -23.963 41 1HG GLN 7 HG2 GLN 7 21.381 3.038 -24.407 42 2HG GLN 7 HG1 GLN 7 21.145 2.696 -22.694 43 1HE2 GLN 7 HE21 GLN 7 19.705 1.440 -25.686 44 2HE2 GLN 7 HE22 GLN 7 20.021 -0.223 -25.341 45 H GLY 8 HN GLY 8 17.500 2.993 -26.026 46 1HA GLY 8 HA2 GLY 8 15.549 5.108 -26.236 47 2HA GLY 8 HA1 GLY 8 15.369 3.458 -26.815 48 H GLN 9 HN GLN 9 13.475 2.812 -25.968 49 HA GLN 9 HA GLN 9 12.791 3.469 -23.229 50 1HB GLN 9 HB2 GLN 9 11.315 1.997 -25.407 51 2HB GLN 9 HB1 GLN 9 10.687 2.170 -23.775 52 1HG GLN 9 HG2 GLN 9 11.397 4.465 -25.587 53 2HG GLN 9 HG1 GLN 9 9.774 3.815 -25.372 54 1HE2 GLN 9 HE21 GLN 9 8.704 5.351 -24.327 55 2HE2 GLN 9 HE22 GLN 9 9.202 6.098 -22.852 56 H ASN 10 HN ASN 10 14.871 1.334 -24.336 57 HA ASN 10 HA ASN 10 14.004 -1.127 -23.250 58 1HB ASN 10 HB2 ASN 10 16.570 -0.028 -24.274 59 2HB ASN 10 HB1 ASN 10 16.661 -1.447 -23.234 60 1HD2 ASN 10 HD21 ASN 10 14.503 -0.342 -25.834 61 2HD2 ASN 10 HD22 ASN 10 14.589 -1.804 -26.753 62 H LEU 11 HN LEU 11 14.917 1.738 -21.758 63 HA LEU 11 HA LEU 11 16.389 0.837 -19.542 64 1HB LEU 11 HB2 LEU 11 14.533 3.200 -19.801 65 2HB LEU 11 HB1 LEU 11 15.661 2.953 -18.481 66 HG LEU 11 HG LEU 11 16.854 2.907 -21.179 67 1HD1 LEU 11 HD11 LEU 11 16.481 5.641 -20.231 68 2HD1 LEU 11 HD12 LEU 11 14.991 4.869 -20.771 69 3HD1 LEU 11 HD13 LEU 11 16.370 4.977 -21.862 70 1HD2 LEU 11 HD21 LEU 11 18.674 3.877 -20.101 71 2HD2 LEU 11 HD22 LEU 11 17.990 2.809 -18.874 72 3HD2 LEU 11 HD23 LEU 11 17.676 4.544 -18.808 73 H SER 12 HN SER 12 12.894 1.352 -19.964 74 HA SER 12 HA SER 12 12.308 0.418 -17.308 75 1HB SER 12 HB2 SER 12 10.820 1.618 -19.525 76 2HB SER 12 HB1 SER 12 9.909 0.370 -18.674 77 HG SER 12 HG SER 12 10.559 2.877 -17.875 78 H THR 13 HN THR 13 12.294 -0.931 -20.548 79 HA THR 13 HA THR 13 10.906 -3.320 -19.878 80 HB THR 13 HB THR 13 11.580 -4.127 -22.048 81 HG1 THR 13 HG1 THR 13 13.276 -3.386 -23.100 82 1HG2 THR 13 HG21 THR 13 10.557 -2.608 -23.403 83 2HG2 THR 13 HG22 THR 13 11.340 -1.226 -22.636 84 3HG2 THR 13 HG23 THR 13 10.006 -2.048 -21.826 85 H VAL 14 HN VAL 14 14.175 -2.270 -19.495 86 HA VAL 14 HA VAL 14 15.160 -4.983 -19.106 87 HB VAL 14 HB VAL 14 16.489 -3.125 -20.272 88 1HG1 VAL 14 HG11 VAL 14 17.868 -1.719 -18.810 89 2HG1 VAL 14 HG12 VAL 14 16.965 -2.301 -17.412 90 3HG1 VAL 14 HG13 VAL 14 16.151 -1.353 -18.654 91 1HG2 VAL 14 HG21 VAL 14 17.375 -5.331 -19.525 92 2HG2 VAL 14 HG22 VAL 14 17.878 -4.563 -18.019 93 3HG2 VAL 14 HG23 VAL 14 18.577 -4.040 -19.552 94 H LEU 15 HN LEU 15 14.351 -2.116 -17.265 95 HA LEU 15 HA LEU 15 15.343 -3.228 -14.782 96 1HB LEU 15 HB2 LEU 15 15.205 -0.722 -15.515 97 2HB LEU 15 HB1 LEU 15 13.553 -0.835 -14.932 98 HG LEU 15 HG LEU 15 14.792 -1.836 -12.787 99 1HD1 LEU 15 HD11 LEU 15 16.833 -0.120 -14.170 100 2HD1 LEU 15 HD12 LEU 15 17.024 -1.748 -13.520 101 3HD1 LEU 15 HD13 LEU 15 16.835 -0.380 -12.425 102 1HD2 LEU 15 HD21 LEU 15 13.869 0.807 -13.607 103 2HD2 LEU 15 HD22 LEU 15 15.048 0.853 -12.298 104 3HD2 LEU 15 HD23 LEU 15 13.570 -0.090 -12.118 105 H ALA 16 HN ALA 16 12.703 -3.897 -16.600 106 HA ALA 16 HA ALA 16 10.585 -3.856 -14.729 107 1HB ALA 16 HB1 ALA 16 10.376 -4.064 -17.226 108 2HB ALA 16 HB2 ALA 16 9.375 -5.175 -16.290 109 3HB ALA 16 HB3 ALA 16 10.857 -5.751 -17.052 110 H ASN 17 HN ASN 17 11.663 -4.685 -12.831 111 HA ASN 17 HA ASN 17 11.716 -7.627 -12.788 112 1HB ASN 17 HB2 ASN 17 13.511 -5.816 -11.158 113 2HB ASN 17 HB1 ASN 17 13.541 -7.577 -11.188 114 1HD2 ASN 17 HD21 ASN 17 13.339 -8.085 -13.863 115 2HD2 ASN 17 HD22 ASN 17 14.741 -7.488 -14.676 116 H LEU 18 HN LEU 18 11.971 -5.092 -10.314 117 HA LEU 18 HA LEU 18 9.539 -6.176 -9.059 118 1HB LEU 18 HB2 LEU 18 11.835 -5.021 -7.505 119 2HB LEU 18 HB1 LEU 18 10.495 -5.985 -6.911 120 HG LEU 18 HG LEU 18 11.647 -7.735 -8.645 121 1HD1 LEU 18 HD11 LEU 18 13.487 -6.156 -9.095 122 2HD1 LEU 18 HD12 LEU 18 14.042 -7.664 -8.369 123 3HD1 LEU 18 HD13 LEU 18 13.917 -6.206 -7.385 124 1HD2 LEU 18 HD21 LEU 18 11.760 -7.264 -5.733 125 2HD2 LEU 18 HD22 LEU 18 12.942 -8.395 -6.389 126 3HD2 LEU 18 HD23 LEU 18 11.219 -8.678 -6.637 127 H THR 19 HN THR 19 8.771 -4.330 -10.550 128 HA THR 19 HA THR 19 9.221 -1.656 -9.612 129 HB THR 19 HB THR 19 7.169 -2.724 -11.556 130 HG1 THR 19 HG1 THR 19 9.366 -1.264 -12.407 131 1HG2 THR 19 HG21 THR 19 6.744 -0.561 -12.285 132 2HG2 THR 19 HG22 THR 19 8.156 0.098 -11.458 133 3HG2 THR 19 HG23 THR 19 6.750 -0.419 -10.528 134 HA PRO 20 HA PRO 20 4.660 -2.170 -8.031 135 1HB PRO 20 HB2 PRO 20 3.830 -4.724 -7.551 136 2HB PRO 20 HB1 PRO 20 3.528 -3.870 -9.068 137 1HG PRO 20 HG2 PRO 20 5.634 -5.889 -8.414 138 2HG PRO 20 HG1 PRO 20 4.656 -5.725 -9.883 139 1HD PRO 20 HD2 PRO 20 7.213 -4.880 -9.732 140 2HD PRO 20 HD1 PRO 20 6.005 -4.071 -10.745 141 H GLU 21 HN GLU 21 7.106 -4.508 -7.043 142 HA GLU 21 HA GLU 21 6.316 -4.703 -4.333 143 1HB GLU 21 HB2 GLU 21 7.752 -6.389 -5.273 144 2HB GLU 21 HB1 GLU 21 8.970 -5.192 -5.690 145 1HG GLU 21 HG2 GLU 21 8.424 -5.082 -2.880 146 2HG GLU 21 HG1 GLU 21 8.795 -6.737 -3.360 147 H GLN 22 HN GLN 22 8.586 -2.601 -6.041 148 HA GLN 22 HA GLN 22 9.489 -1.279 -3.668 149 1HB GLN 22 HB2 GLN 22 9.760 -0.615 -6.601 150 2HB GLN 22 HB1 GLN 22 10.476 0.357 -5.321 151 1HG GLN 22 HG2 GLN 22 11.054 -2.565 -5.739 152 2HG GLN 22 HG1 GLN 22 12.032 -1.255 -6.400 153 1HE2 GLN 22 HE21 GLN 22 13.353 -2.936 -4.891 154 2HE2 GLN 22 HE22 GLN 22 13.684 -2.291 -3.323 155 H GLN 23 HN GLN 23 7.402 -0.282 -6.383 156 HA GLN 23 HA GLN 23 6.704 2.236 -5.519 157 1HB GLN 23 HB2 GLN 23 6.048 1.354 -7.699 158 2HB GLN 23 HB1 GLN 23 4.949 0.218 -6.931 159 1HG GLN 23 HG2 GLN 23 3.434 1.800 -7.446 160 2HG GLN 23 HG1 GLN 23 3.980 2.492 -5.918 161 1HE2 GLN 23 HE21 GLN 23 4.296 2.653 -9.401 162 2HE2 GLN 23 HE22 GLN 23 4.881 4.278 -9.465 163 H LYS 24 HN LYS 24 5.041 -0.818 -4.756 164 HA LYS 24 HA LYS 24 3.087 0.319 -3.085 165 1HB LYS 24 HB2 LYS 24 4.235 -2.464 -3.238 166 2HB LYS 24 HB1 LYS 24 2.931 -2.039 -2.140 167 1HG LYS 24 HG2 LYS 24 2.843 -1.783 -5.137 168 2HG LYS 24 HG1 LYS 24 2.105 -3.074 -4.191 169 1HD LYS 24 HD2 LYS 24 1.431 -0.144 -3.930 170 2HD LYS 24 HD1 LYS 24 0.496 -1.312 -4.863 171 1HE LYS 24 HE2 LYS 24 0.761 -2.507 -2.381 172 2HE LYS 24 HE1 LYS 24 0.519 -0.804 -2.002 173 1HZ LYS 24 HZ1 LYS 24 -1.301 -1.493 -4.001 174 2HZ LYS 24 HZ2 LYS 24 -1.628 -1.081 -2.394 175 3HZ LYS 24 HZ3 LYS 24 -1.385 -2.698 -2.818 176 H ASN 25 HN ASN 25 6.409 -0.551 -2.525 177 HA ASN 25 HA ASN 25 6.338 -0.730 0.284 178 1HB ASN 25 HB2 ASN 25 8.243 -1.253 -1.492 179 2HB ASN 25 HB1 ASN 25 8.754 0.379 -1.069 180 1HD2 ASN 25 HD21 ASN 25 7.837 -2.714 0.387 181 2HD2 ASN 25 HD22 ASN 25 8.930 -2.608 1.721 182 H VAL 26 HN VAL 26 7.323 2.010 -1.793 183 HA VAL 26 HA VAL 26 7.709 3.878 0.222 184 HB VAL 26 HB VAL 26 8.088 4.033 -2.381 185 1HG1 VAL 26 HG11 VAL 26 5.770 4.013 -3.062 186 2HG1 VAL 26 HG12 VAL 26 6.499 5.563 -3.469 187 3HG1 VAL 26 HG13 VAL 26 5.436 5.431 -2.070 188 1HG2 VAL 26 HG21 VAL 26 7.859 6.026 -0.266 189 2HG2 VAL 26 HG22 VAL 26 7.713 6.702 -1.889 190 3HG2 VAL 26 HG23 VAL 26 9.141 5.767 -1.449 191 H LEU 27 HN LEU 27 4.759 2.918 -1.428 192 HA LEU 27 HA LEU 27 2.973 4.832 -0.673 193 1HB LEU 27 HB2 LEU 27 2.856 2.097 -1.513 194 2HB LEU 27 HB1 LEU 27 1.671 2.346 -0.247 195 HG LEU 27 HG LEU 27 1.453 4.517 -2.060 196 1HD1 LEU 27 HD11 LEU 27 1.930 1.889 -3.350 197 2HD1 LEU 27 HD12 LEU 27 2.318 3.514 -3.911 198 3HD1 LEU 27 HD13 LEU 27 0.660 2.922 -4.005 199 1HD2 LEU 27 HD21 LEU 27 -0.719 4.107 -1.744 200 2HD2 LEU 27 HD22 LEU 27 -0.191 2.867 -0.608 201 3HD2 LEU 27 HD23 LEU 27 -0.569 2.433 -2.271 202 H GLY 28 HN GLY 28 3.767 1.925 1.249 203 1HA GLY 28 HA2 GLY 28 2.210 2.587 3.479 204 2HA GLY 28 HA1 GLY 28 3.596 1.508 3.496 205 H GLU 29 HN GLU 29 5.617 3.343 2.795 206 HA GLU 29 HA GLU 29 6.170 4.476 5.313 207 1HB GLU 29 HB2 GLU 29 7.397 4.766 2.587 208 2HB GLU 29 HB1 GLU 29 7.940 5.785 3.913 209 1HG GLU 29 HG2 GLU 29 7.931 2.775 3.948 210 2HG GLU 29 HG1 GLU 29 9.333 3.779 3.581 211 H ARG 30 HN ARG 30 5.335 6.039 2.223 212 HA ARG 30 HA ARG 30 5.017 8.622 3.370 213 1HB ARG 30 HB2 ARG 30 3.780 7.700 0.778 214 2HB ARG 30 HB1 ARG 30 4.283 9.324 1.224 215 1HG ARG 30 HG2 ARG 30 6.648 8.183 1.392 216 2HG ARG 30 HG1 ARG 30 5.909 7.020 0.291 217 1HD ARG 30 HD2 ARG 30 5.738 9.966 -0.238 218 2HD ARG 30 HD1 ARG 30 7.174 9.050 -0.689 219 HE ARG 30 HE ARG 30 5.936 7.922 -2.308 220 1HH1 ARG 30 HH11 ARG 30 3.897 10.117 -0.501 221 2HH1 ARG 30 HH12 ARG 30 2.601 10.042 -1.644 222 1HH2 ARG 30 HH21 ARG 30 4.230 7.839 -3.806 223 2HH2 ARG 30 HH22 ARG 30 2.789 8.751 -3.517 224 H LEU 31 HN LEU 31 3.050 5.852 3.405 225 HA LEU 31 HA LEU 31 0.500 7.136 3.392 226 1HB LEU 31 HB2 LEU 31 1.459 4.511 3.292 227 2HB LEU 31 HB1 LEU 31 0.545 4.602 4.776 228 HG LEU 31 HG LEU 31 -1.018 5.822 2.773 229 1HD1 LEU 31 HD11 LEU 31 -1.240 4.160 1.088 230 2HD1 LEU 31 HD12 LEU 31 -0.091 3.102 1.904 231 3HD1 LEU 31 HD13 LEU 31 0.460 4.611 1.180 232 1HD2 LEU 31 HD21 LEU 31 -1.339 4.092 4.883 233 2HD2 LEU 31 HD22 LEU 31 -1.736 3.089 3.493 234 3HD2 LEU 31 HD23 LEU 31 -2.605 4.593 3.769 235 H TYR 32 HN TYR 32 2.242 5.416 5.967 236 HA TYR 32 HA TYR 32 0.662 6.095 8.105 237 1HB TYR 32 HB2 TYR 32 2.585 4.487 8.080 238 2HB TYR 32 HB1 TYR 32 3.685 5.856 8.137 239 HD1 TYR 32 HD1 TYR 32 3.708 7.311 10.192 240 HD2 TYR 32 HD2 TYR 32 1.585 3.629 10.038 241 HE1 TYR 32 HE1 TYR 32 3.657 7.246 12.649 242 HE2 TYR 32 HE2 TYR 32 1.514 3.558 12.498 243 HH TYR 32 HH TYR 32 1.666 5.121 14.391 244 H ASN 33 HN ASN 33 3.048 8.056 6.476 245 HA ASN 33 HA ASN 33 3.282 10.060 8.471 246 1HB ASN 33 HB2 ASN 33 5.054 9.939 6.934 247 2HB ASN 33 HB1 ASN 33 3.969 9.896 5.550 248 1HD2 ASN 33 HD21 ASN 33 2.635 11.923 5.249 249 2HD2 ASN 33 HD22 ASN 33 3.447 13.428 5.510 250 H HIS 34 HN HIS 34 1.192 9.725 5.644 251 HA HIS 34 HA HIS 34 0.193 12.344 5.688 252 1HB HIS 34 HB2 HIS 34 -1.580 11.559 4.295 253 2HB HIS 34 HB1 HIS 34 -0.114 10.723 3.802 254 HD1 HIS 34 HD1 HIS 34 -0.674 8.364 3.252 255 HD2 HIS 34 HD2 HIS 34 -2.945 9.811 6.392 256 HE1 HIS 34 HE1 HIS 34 -2.114 6.439 4.002 257 HE2 HIS 34 HE2 HIS 34 -3.287 7.290 6.046 258 H ILE 35 HN ILE 35 -0.830 9.428 7.339 259 HA ILE 35 HA ILE 35 -2.979 10.886 8.645 260 HB ILE 35 HB ILE 35 -2.881 8.304 7.717 261 1HG1 ILE 35 HG12 ILE 35 -5.027 8.233 9.369 262 2HG1 ILE 35 HG11 ILE 35 -4.709 9.964 9.324 263 1HG2 ILE 35 HG21 ILE 35 -1.635 7.396 9.499 264 2HG2 ILE 35 HG22 ILE 35 -3.316 6.931 9.759 265 3HG2 ILE 35 HG23 ILE 35 -2.609 8.234 10.706 266 1HD1 ILE 35 HD11 ILE 35 -5.158 8.190 6.937 267 2HD1 ILE 35 HD12 ILE 35 -4.842 9.923 6.891 268 3HD1 ILE 35 HD13 ILE 35 -6.324 9.317 7.634 269 H VAL 36 HN VAL 36 0.095 9.367 9.502 270 HA VAL 36 HA VAL 36 -0.118 9.051 12.182 271 HB VAL 36 HB VAL 36 1.990 8.649 10.983 272 1HG1 VAL 36 HG11 VAL 36 1.964 10.793 9.701 273 2HG1 VAL 36 HG12 VAL 36 3.519 10.385 10.419 274 3HG1 VAL 36 HG13 VAL 36 2.495 11.611 11.167 275 1HG2 VAL 36 HG21 VAL 36 3.519 9.654 12.771 276 2HG2 VAL 36 HG22 VAL 36 2.228 8.575 13.298 277 3HG2 VAL 36 HG23 VAL 36 2.043 10.322 13.467 278 H ALA 37 HN ALA 37 0.539 12.140 10.566 279 HA ALA 37 HA ALA 37 0.450 13.661 12.992 280 1HB ALA 37 HB1 ALA 37 0.303 15.595 11.267 281 2HB ALA 37 HB2 ALA 37 0.633 14.331 10.083 282 3HB ALA 37 HB3 ALA 37 1.787 14.648 11.379 283 H ILE 38 HN ILE 38 -1.843 12.628 10.597 284 HA ILE 38 HA ILE 38 -3.861 14.529 11.495 285 HB ILE 38 HB ILE 38 -4.299 12.258 9.568 286 1HG1 ILE 38 HG12 ILE 38 -2.424 13.522 8.726 287 2HG1 ILE 38 HG11 ILE 38 -3.847 13.953 7.783 288 1HG2 ILE 38 HG21 ILE 38 -6.205 13.631 10.643 289 2HG2 ILE 38 HG22 ILE 38 -6.214 13.392 8.895 290 3HG2 ILE 38 HG23 ILE 38 -5.665 14.924 9.573 291 1HD1 ILE 38 HD11 ILE 38 -4.038 16.040 8.908 292 2HD1 ILE 38 HD12 ILE 38 -2.358 15.853 8.405 293 3HD1 ILE 38 HD13 ILE 38 -2.810 15.579 10.088 294 H ASN 39 HN ASN 39 -3.901 10.971 11.135 295 HA ASN 39 HA ASN 39 -5.484 10.851 13.618 296 1HB ASN 39 HB2 ASN 39 -5.885 9.524 10.989 297 2HB ASN 39 HB1 ASN 39 -6.253 8.584 12.434 298 1HD2 ASN 39 HD21 ASN 39 -8.404 8.552 12.451 299 2HD2 ASN 39 HD22 ASN 39 -9.420 9.950 12.456 300 HA PRO 40 HA PRO 40 -1.409 8.722 14.367 301 1HB PRO 40 HB2 PRO 40 -2.463 9.282 17.102 302 2HB PRO 40 HB1 PRO 40 -0.823 9.465 16.468 303 1HG PRO 40 HG2 PRO 40 -2.377 11.593 16.845 304 2HG PRO 40 HG1 PRO 40 -1.303 11.485 15.436 305 1HD PRO 40 HD2 PRO 40 -4.261 11.139 15.600 306 2HD PRO 40 HD1 PRO 40 -3.273 11.827 14.294 307 H ALA 41 HN ALA 41 -4.610 8.296 15.790 308 HA ALA 41 HA ALA 41 -4.002 5.529 16.481 309 1HB ALA 41 HB1 ALA 41 -6.226 5.539 17.547 310 2HB ALA 41 HB2 ALA 41 -6.465 7.195 16.986 311 3HB ALA 41 HB3 ALA 41 -5.185 6.832 18.144 312 H ALA 42 HN ALA 42 -3.856 5.788 13.807 313 HA ALA 42 HA ALA 42 -5.960 4.046 12.913 314 1HB ALA 42 HB1 ALA 42 -5.665 6.596 11.357 315 2HB ALA 42 HB2 ALA 42 -6.869 6.414 12.635 316 3HB ALA 42 HB3 ALA 42 -6.915 5.357 11.224 317 H ALA 43 HN ALA 43 -3.195 6.061 12.074 318 HA ALA 43 HA ALA 43 -2.312 5.180 9.695 319 1HB ALA 43 HB1 ALA 43 -0.290 5.998 10.267 320 2HB ALA 43 HB2 ALA 43 -0.246 5.120 11.792 321 3HB ALA 43 HB3 ALA 43 -1.188 6.600 11.658 322 H ALA 44 HN ALA 44 -1.594 3.492 12.746 323 HA ALA 44 HA ALA 44 -0.221 1.344 11.771 324 1HB ALA 44 HB1 ALA 44 -1.103 0.089 13.755 325 2HB ALA 44 HB2 ALA 44 -2.138 1.478 14.081 326 3HB ALA 44 HB3 ALA 44 -0.383 1.657 14.114 327 H LYS 45 HN LYS 45 -3.688 1.860 11.764 328 HA LYS 45 HA LYS 45 -4.224 -0.787 10.693 329 1HB LYS 45 HB2 LYS 45 -6.026 1.541 11.352 330 2HB LYS 45 HB1 LYS 45 -6.600 0.016 10.687 331 1HG LYS 45 HG2 LYS 45 -4.945 -0.467 12.978 332 2HG LYS 45 HG1 LYS 45 -6.221 0.685 13.370 333 1HD LYS 45 HD2 LYS 45 -7.346 -1.404 11.791 334 2HD LYS 45 HD1 LYS 45 -6.408 -2.134 13.094 335 1HE LYS 45 HE2 LYS 45 -8.666 -0.156 13.330 336 2HE LYS 45 HE1 LYS 45 -8.634 -1.827 13.886 337 1HZ LYS 45 HZ1 LYS 45 -7.026 -1.264 15.539 338 2HZ LYS 45 HZ2 LYS 45 -8.309 -0.181 15.670 339 3HZ LYS 45 HZ3 LYS 45 -6.871 0.311 14.948 340 H VAL 46 HN VAL 46 -4.521 2.589 9.657 341 HA VAL 46 HA VAL 46 -5.578 2.103 7.113 342 HB VAL 46 HB VAL 46 -3.661 4.356 7.630 343 1HG1 VAL 46 HG11 VAL 46 -5.134 3.687 5.447 344 2HG1 VAL 46 HG12 VAL 46 -4.573 5.312 5.826 345 3HG1 VAL 46 HG13 VAL 46 -6.209 4.821 6.264 346 1HG2 VAL 46 HG21 VAL 46 -4.868 5.070 9.359 347 2HG2 VAL 46 HG22 VAL 46 -6.051 3.785 9.136 348 3HG2 VAL 46 HG23 VAL 46 -6.218 5.298 8.248 349 H THR 47 HN THR 47 -2.225 2.445 8.195 350 HA THR 47 HA THR 47 -1.058 2.136 5.640 351 HB THR 47 HB THR 47 0.234 1.489 8.289 352 HG1 THR 47 HG1 THR 47 -0.536 3.514 8.561 353 1HG2 THR 47 HG21 THR 47 2.019 2.864 6.710 354 2HG2 THR 47 HG22 THR 47 1.221 1.765 5.585 355 3HG2 THR 47 HG23 THR 47 2.016 1.128 7.024 356 H GLY 48 HN GLY 48 -1.367 -0.151 8.351 357 1HA GLY 48 HA2 GLY 48 -0.265 -2.343 6.927 358 2HA GLY 48 HA1 GLY 48 -1.165 -2.438 8.432 359 H MET 49 HN MET 49 -3.632 -1.646 7.876 360 HA MET 49 HA MET 49 -4.710 -3.815 6.416 361 1HB MET 49 HB2 MET 49 -6.137 -1.275 7.236 362 2HB MET 49 HB1 MET 49 -6.873 -2.819 6.851 363 1HG MET 49 HG2 MET 49 -4.968 -2.475 9.141 364 2HG MET 49 HG1 MET 49 -6.705 -2.223 9.294 365 1HE MET 49 HE1 MET 49 -4.088 -4.494 10.128 366 2HE MET 49 HE2 MET 49 -3.887 -4.854 8.415 367 3HE MET 49 HE3 MET 49 -4.474 -6.101 9.514 368 H LEU 50 HN LEU 50 -4.551 -0.333 5.761 369 HA LEU 50 HA LEU 50 -5.419 0.767 3.860 370 1HB LEU 50 HB2 LEU 50 -2.909 0.748 3.966 371 2HB LEU 50 HB1 LEU 50 -2.944 -0.567 2.806 372 HG LEU 50 HG LEU 50 -4.080 0.888 1.183 373 1HD1 LEU 50 HD11 LEU 50 -4.513 2.532 3.461 374 2HD1 LEU 50 HD12 LEU 50 -5.102 2.752 1.817 375 3HD1 LEU 50 HD13 LEU 50 -3.554 3.443 2.297 376 1HD2 LEU 50 HD21 LEU 50 -1.769 0.770 0.896 377 2HD2 LEU 50 HD22 LEU 50 -1.444 1.719 2.344 378 3HD2 LEU 50 HD23 LEU 50 -2.106 2.501 0.911 379 H LEU 51 HN LEU 51 -4.027 -2.238 2.467 380 HA LEU 51 HA LEU 51 -5.804 -2.165 0.265 381 1HB LEU 51 HB2 LEU 51 -3.830 -4.143 1.336 382 2HB LEU 51 HB1 LEU 51 -4.924 -4.616 0.052 383 HG LEU 51 HG LEU 51 -3.960 -2.383 -1.056 384 1HD1 LEU 51 HD11 LEU 51 -1.651 -3.398 0.585 385 2HD1 LEU 51 HD12 LEU 51 -2.540 -1.915 0.925 386 3HD1 LEU 51 HD13 LEU 51 -1.634 -2.075 -0.580 387 1HD2 LEU 51 HD21 LEU 51 -3.293 -5.219 -1.163 388 2HD2 LEU 51 HD22 LEU 51 -1.996 -4.172 -1.736 389 3HD2 LEU 51 HD23 LEU 51 -3.596 -4.075 -2.468 390 H GLU 52 HN GLU 52 -7.751 -1.931 1.781 391 HA GLU 52 HA GLU 52 -8.690 -4.535 2.732 392 1HB GLU 52 HB2 GLU 52 -9.788 -1.755 3.189 393 2HB GLU 52 HB1 GLU 52 -10.486 -3.230 3.845 394 1HG GLU 52 HG2 GLU 52 -7.881 -1.922 4.529 395 2HG GLU 52 HG1 GLU 52 -9.229 -2.328 5.591 396 H MET 53 HN MET 53 -11.317 -4.474 2.545 397 HA MET 53 HA MET 53 -11.836 -5.104 -0.131 398 1HB MET 53 HB2 MET 53 -13.734 -4.542 2.146 399 2HB MET 53 HB1 MET 53 -14.231 -5.192 0.591 400 1HG MET 53 HG2 MET 53 -12.269 -6.495 2.463 401 2HG MET 53 HG1 MET 53 -13.974 -6.919 2.320 402 1HE MET 53 HE1 MET 53 -14.036 -6.920 -1.386 403 2HE MET 53 HE2 MET 53 -15.006 -7.152 0.070 404 3HE MET 53 HE3 MET 53 -14.488 -8.547 -0.876 405 H ASP 54 HN ASP 54 -13.232 -2.396 1.749 406 HA ASP 54 HA ASP 54 -13.901 -1.072 -0.770 407 1HB ASP 54 HB2 ASP 54 -15.685 -1.194 0.837 408 2HB ASP 54 HB1 ASP 54 -14.679 -0.470 2.087 409 H ASN 55 HN ASN 55 -12.712 0.153 2.360 410 HA ASN 55 HA ASN 55 -11.590 2.494 1.517 411 1HB ASN 55 HB2 ASN 55 -11.646 2.010 3.858 412 2HB ASN 55 HB1 ASN 55 -10.641 0.580 3.652 413 1HD2 ASN 55 HD21 ASN 55 -9.013 1.161 4.994 414 2HD2 ASN 55 HD22 ASN 55 -7.963 2.503 4.710 415 H GLY 56 HN GLY 56 -10.384 -0.741 1.059 416 1HA GLY 56 HA2 GLY 56 -7.742 0.014 0.343 417 2HA GLY 56 HA1 GLY 56 -8.495 -1.544 0.035 418 H GLU 57 HN GLU 57 -10.393 -1.263 -1.703 419 HA GLU 57 HA GLU 57 -9.383 -1.077 -4.154 420 1HB GLU 57 HB2 GLU 57 -12.076 0.039 -3.377 421 2HB GLU 57 HB1 GLU 57 -11.576 -0.375 -5.012 422 1HG GLU 57 HG2 GLU 57 -11.199 -2.552 -3.124 423 2HG GLU 57 HG1 GLU 57 -12.877 -2.027 -3.255 424 H ILE 58 HN ILE 58 -10.791 1.791 -2.567 425 HA ILE 58 HA ILE 58 -10.186 3.634 -4.563 426 HB ILE 58 HB ILE 58 -10.367 4.056 -1.580 427 1HG1 ILE 58 HG12 ILE 58 -12.380 3.131 -2.743 428 2HG1 ILE 58 HG11 ILE 58 -12.648 4.701 -1.990 429 1HG2 ILE 58 HG21 ILE 58 -9.984 5.969 -3.831 430 2HG2 ILE 58 HG22 ILE 58 -9.326 6.003 -2.195 431 3HG2 ILE 58 HG23 ILE 58 -11.008 6.448 -2.478 432 1HD1 ILE 58 HD11 ILE 58 -13.457 4.120 -4.452 433 2HD1 ILE 58 HD12 ILE 58 -11.834 4.699 -4.830 434 3HD1 ILE 58 HD13 ILE 58 -12.966 5.741 -3.969 435 H LEU 59 HN LEU 59 -8.248 2.526 -1.826 436 HA LEU 59 HA LEU 59 -6.137 4.174 -1.704 437 1HB LEU 59 HB2 LEU 59 -4.965 2.484 -0.735 438 2HB LEU 59 HB1 LEU 59 -6.578 1.816 -0.655 439 HG LEU 59 HG LEU 59 -5.964 0.645 -2.896 440 1HD1 LEU 59 HD11 LEU 59 -3.366 1.755 -1.992 441 2HD1 LEU 59 HD12 LEU 59 -3.941 1.390 -3.619 442 3HD1 LEU 59 HD13 LEU 59 -3.366 0.092 -2.576 443 1HD2 LEU 59 HD21 LEU 59 -6.258 -0.324 -0.556 444 2HD2 LEU 59 HD22 LEU 59 -4.501 -0.319 -0.459 445 3HD2 LEU 59 HD23 LEU 59 -5.313 -1.261 -1.709 446 H ASN 60 HN ASN 60 -6.753 1.891 -4.302 447 HA ASN 60 HA ASN 60 -4.379 1.853 -5.655 448 1HB ASN 60 HB2 ASN 60 -6.980 1.083 -6.216 449 2HB ASN 60 HB1 ASN 60 -6.613 2.236 -7.494 450 1HD2 ASN 60 HD21 ASN 60 -6.278 -0.929 -6.435 451 2HD2 ASN 60 HD22 ASN 60 -5.118 -1.467 -7.597 452 H LEU 61 HN LEU 61 -6.539 4.552 -5.311 453 HA LEU 61 HA LEU 61 -4.848 6.106 -7.157 454 1HB LEU 61 HB2 LEU 61 -7.689 6.760 -6.396 455 2HB LEU 61 HB1 LEU 61 -6.725 7.499 -7.661 456 HG LEU 61 HG LEU 61 -6.976 4.645 -8.091 457 1HD1 LEU 61 HD11 LEU 61 -9.143 4.239 -7.841 458 2HD1 LEU 61 HD12 LEU 61 -9.583 5.723 -8.682 459 3HD1 LEU 61 HD13 LEU 61 -9.260 5.756 -6.950 460 1HD2 LEU 61 HD21 LEU 61 -6.593 5.504 -10.109 461 2HD2 LEU 61 HD22 LEU 61 -6.987 7.132 -9.557 462 3HD2 LEU 61 HD23 LEU 61 -8.268 6.058 -10.120 463 H LEU 62 HN LEU 62 -3.689 6.013 -4.828 464 HA LEU 62 HA LEU 62 -4.210 7.261 -2.588 465 1HB LEU 62 HB2 LEU 62 -1.832 7.766 -4.347 466 2HB LEU 62 HB1 LEU 62 -1.936 8.426 -2.726 467 HG LEU 62 HG LEU 62 -2.404 5.529 -2.971 468 1HD1 LEU 62 HD11 LEU 62 -0.296 4.859 -3.529 469 2HD1 LEU 62 HD12 LEU 62 0.439 6.379 -3.025 470 3HD1 LEU 62 HD13 LEU 62 -0.446 6.291 -4.546 471 1HD2 LEU 62 HD21 LEU 62 -2.041 5.697 -0.789 472 2HD2 LEU 62 HD22 LEU 62 -1.716 7.421 -0.975 473 3HD2 LEU 62 HD23 LEU 62 -0.397 6.256 -1.099 474 H ASP 63 HN ASP 63 -5.901 8.719 -2.629 475 HA ASP 63 HA ASP 63 -5.374 11.341 -3.859 476 1HB ASP 63 HB2 ASP 63 -7.597 9.698 -4.080 477 2HB ASP 63 HB1 ASP 63 -8.093 10.909 -2.903 478 H THR 64 HN THR 64 -6.171 13.248 -2.666 479 HA THR 64 HA THR 64 -5.301 13.121 0.060 480 HB THR 64 HB THR 64 -6.730 15.519 -1.001 481 HG1 THR 64 HG1 THR 64 -4.075 14.909 -1.752 482 1HG2 THR 64 HG21 THR 64 -4.392 15.016 0.787 483 2HG2 THR 64 HG22 THR 64 -5.841 15.983 1.075 484 3HG2 THR 64 HG23 THR 64 -4.589 16.572 -0.020 485 HA PRO 65 HA PRO 65 -9.900 13.913 1.045 486 1HB PRO 65 HB2 PRO 65 -11.738 13.768 -0.935 487 2HB PRO 65 HB1 PRO 65 -10.884 15.256 -0.522 488 1HG PRO 65 HG2 PRO 65 -10.458 13.399 -2.802 489 2HG PRO 65 HG1 PRO 65 -10.248 15.154 -2.723 490 1HD PRO 65 HD2 PRO 65 -8.208 13.266 -2.593 491 2HD PRO 65 HD1 PRO 65 -8.082 14.961 -2.093 492 H GLY 66 HN GLY 66 -10.276 11.803 -1.814 493 1HA GLY 66 HA2 GLY 66 -11.935 9.909 -0.781 494 2HA GLY 66 HA1 GLY 66 -10.715 9.557 -1.992 495 H LEU 67 HN LEU 67 -8.400 9.519 -0.876 496 HA LEU 67 HA LEU 67 -8.315 7.189 0.648 497 1HB LEU 67 HB2 LEU 67 -6.503 9.104 -0.464 498 2HB LEU 67 HB1 LEU 67 -5.962 8.655 1.134 499 HG LEU 67 HG LEU 67 -5.041 7.332 -0.840 500 1HD1 LEU 67 HD11 LEU 67 -4.475 6.222 1.026 501 2HD1 LEU 67 HD12 LEU 67 -5.716 5.089 0.494 502 3HD1 LEU 67 HD13 LEU 67 -6.098 6.315 1.695 503 1HD2 LEU 67 HD21 LEU 67 -7.611 7.131 -1.618 504 2HD2 LEU 67 HD22 LEU 67 -7.424 5.605 -0.756 505 3HD2 LEU 67 HD23 LEU 67 -6.349 5.998 -2.097 506 H LEU 68 HN LEU 68 -7.215 10.385 1.822 507 HA LEU 68 HA LEU 68 -7.049 9.812 4.483 508 1HB LEU 68 HB2 LEU 68 -7.146 12.162 2.905 509 2HB LEU 68 HB1 LEU 68 -8.170 12.422 4.302 510 HG LEU 68 HG LEU 68 -6.022 11.404 5.540 511 1HD1 LEU 68 HD11 LEU 68 -4.051 11.628 4.480 512 2HD1 LEU 68 HD12 LEU 68 -4.562 13.072 3.606 513 3HD1 LEU 68 HD13 LEU 68 -5.043 11.476 3.030 514 1HD2 LEU 68 HD21 LEU 68 -5.244 13.928 5.569 515 2HD2 LEU 68 HD22 LEU 68 -6.721 13.402 6.377 516 3HD2 LEU 68 HD23 LEU 68 -6.808 14.167 4.790 517 H ASP 69 HN ASP 69 -9.985 10.283 2.660 518 HA ASP 69 HA ASP 69 -11.662 10.618 4.957 519 1HB ASP 69 HB2 ASP 69 -12.104 10.215 2.034 520 2HB ASP 69 HB1 ASP 69 -13.433 9.842 3.126 521 H ALA 70 HN ALA 70 -11.351 7.934 2.620 522 HA ALA 70 HA ALA 70 -12.715 6.102 4.343 523 1HB ALA 70 HB1 ALA 70 -12.999 5.090 2.392 524 2HB ALA 70 HB2 ALA 70 -11.287 4.663 2.388 525 3HB ALA 70 HB3 ALA 70 -11.824 6.161 1.631 526 H LYS 71 HN LYS 71 -9.615 7.310 4.477 527 HA LYS 71 HA LYS 71 -8.220 4.907 5.193 528 1HB LYS 71 HB2 LYS 71 -7.592 7.817 5.113 529 2HB LYS 71 HB1 LYS 71 -6.570 6.774 6.091 530 1HG LYS 71 HG2 LYS 71 -6.404 5.322 3.974 531 2HG LYS 71 HG1 LYS 71 -6.986 6.754 3.138 532 1HD LYS 71 HD2 LYS 71 -4.658 6.874 5.004 533 2HD LYS 71 HD1 LYS 71 -4.449 6.426 3.314 534 1HE LYS 71 HE2 LYS 71 -6.040 8.713 3.296 535 2HE LYS 71 HE1 LYS 71 -4.800 9.031 4.502 536 1HZ LYS 71 HZ1 LYS 71 -3.942 7.912 1.945 537 2HZ LYS 71 HZ2 LYS 71 -3.174 9.035 2.945 538 3HZ LYS 71 HZ3 LYS 71 -4.444 9.526 1.952 539 H VAL 72 HN VAL 72 -9.572 7.670 6.931 540 HA VAL 72 HA VAL 72 -8.852 6.559 9.501 541 HB VAL 72 HB VAL 72 -9.853 8.547 10.455 542 1HG1 VAL 72 HG11 VAL 72 -8.163 9.913 9.843 543 2HG1 VAL 72 HG12 VAL 72 -8.515 9.756 8.122 544 3HG1 VAL 72 HG13 VAL 72 -7.620 8.489 8.957 545 1HG2 VAL 72 HG21 VAL 72 -10.818 10.286 8.909 546 2HG2 VAL 72 HG22 VAL 72 -11.813 8.848 9.138 547 3HG2 VAL 72 HG23 VAL 72 -10.869 9.040 7.661 548 H GLN 73 HN GLN 73 -11.819 7.170 7.657 549 HA GLN 73 HA GLN 73 -13.676 6.372 9.550 550 1HB GLN 73 HB2 GLN 73 -13.839 5.895 6.573 551 2HB GLN 73 HB1 GLN 73 -15.191 5.991 7.692 552 1HG GLN 73 HG2 GLN 73 -13.319 8.228 6.960 553 2HG GLN 73 HG1 GLN 73 -14.982 8.036 6.416 554 1HE2 GLN 73 HE21 GLN 73 -15.933 9.766 7.284 555 2HE2 GLN 73 HE22 GLN 73 -15.973 10.132 8.973 556 H GLU 74 HN GLU 74 -12.160 4.367 7.014 557 HA GLU 74 HA GLU 74 -13.331 1.944 7.813 558 1HB GLU 74 HB2 GLU 74 -12.311 2.213 5.635 559 2HB GLU 74 HB1 GLU 74 -10.728 2.430 6.371 560 1HG GLU 74 HG2 GLU 74 -11.247 0.160 5.385 561 2HG GLU 74 HG1 GLU 74 -10.596 0.187 7.020 562 H ALA 75 HN ALA 75 -10.126 3.292 8.571 563 HA ALA 75 HA ALA 75 -9.226 1.183 10.173 564 1HB ALA 75 HB1 ALA 75 -7.842 3.116 11.269 565 2HB ALA 75 HB2 ALA 75 -8.506 4.067 9.940 566 3HB ALA 75 HB3 ALA 75 -7.540 2.631 9.601 567 H LEU 76 HN LEU 76 -10.997 4.125 11.038 568 HA LEU 76 HA LEU 76 -11.067 3.502 13.826 569 1HB LEU 76 HB2 LEU 76 -12.411 5.531 12.081 570 2HB LEU 76 HB1 LEU 76 -12.936 5.312 13.741 571 HG LEU 76 HG LEU 76 -10.188 6.141 12.815 572 1HD1 LEU 76 HD11 LEU 76 -11.814 7.760 14.675 573 2HD1 LEU 76 HD12 LEU 76 -12.339 7.711 12.993 574 3HD1 LEU 76 HD13 LEU 76 -10.713 8.263 13.394 575 1HD2 LEU 76 HD21 LEU 76 -10.001 6.508 15.406 576 2HD2 LEU 76 HD22 LEU 76 -9.648 4.937 14.691 577 3HD2 LEU 76 HD23 LEU 76 -11.207 5.224 15.460 578 H GLU 77 HN GLU 77 -13.070 2.760 11.072 579 HA GLU 77 HA GLU 77 -15.379 1.987 12.576 580 1HB GLU 77 HB2 GLU 77 -14.824 2.402 9.881 581 2HB GLU 77 HB1 GLU 77 -15.110 0.675 9.989 582 1HG GLU 77 HG2 GLU 77 -17.215 1.453 9.576 583 2HG GLU 77 HG1 GLU 77 -17.215 1.387 11.338 584 H VAL 78 HN VAL 78 -12.764 0.214 10.953 585 HA VAL 78 HA VAL 78 -13.626 -2.347 11.799 586 HB VAL 78 HB VAL 78 -12.194 -2.026 9.841 587 1HG1 VAL 78 HG11 VAL 78 -10.761 -0.302 11.350 588 2HG1 VAL 78 HG12 VAL 78 -10.195 -1.013 9.840 589 3HG1 VAL 78 HG13 VAL 78 -9.716 -1.721 11.382 590 1HG2 VAL 78 HG21 VAL 78 -11.462 -3.866 12.037 591 2HG2 VAL 78 HG22 VAL 78 -10.310 -3.717 10.714 592 3HG2 VAL 78 HG23 VAL 78 -11.968 -4.211 10.385 593 H LEU 79 HN LEU 79 -12.080 0.185 13.465 594 HA LEU 79 HA LEU 79 -10.379 -1.165 15.219 595 1HB LEU 79 HB2 LEU 79 -10.779 1.366 14.909 596 2HB LEU 79 HB1 LEU 79 -12.069 1.169 16.076 597 HG LEU 79 HG LEU 79 -9.327 0.214 16.766 598 1HD1 LEU 79 HD11 LEU 79 -9.186 2.604 17.849 599 2HD1 LEU 79 HD12 LEU 79 -10.220 3.033 16.487 600 3HD1 LEU 79 HD13 LEU 79 -8.636 2.315 16.199 601 1HD2 LEU 79 HD21 LEU 79 -11.449 1.491 18.468 602 2HD2 LEU 79 HD22 LEU 79 -10.019 0.607 18.999 603 3HD2 LEU 79 HD23 LEU 79 -11.333 -0.247 18.192 604 H ASN 80 HN ASN 80 -13.530 0.117 16.273 605 HA ASN 80 HA ASN 80 -13.733 -1.945 18.277 606 1HB ASN 80 HB2 ASN 80 -14.733 0.660 17.964 607 2HB ASN 80 HB1 ASN 80 -16.149 -0.388 17.945 608 1HD2 ASN 80 HD21 ASN 80 -15.943 1.332 19.954 609 2HD2 ASN 80 HD22 ASN 80 -15.523 0.532 21.426 610 H ARG 81 HN ARG 81 -14.243 -2.150 15.102 611 HA ARG 81 HA ARG 81 -16.847 -3.304 14.971 612 1HB ARG 81 HB2 ARG 81 -14.765 -2.609 13.157 613 2HB ARG 81 HB1 ARG 81 -15.211 -4.280 12.857 614 1HG ARG 81 HG2 ARG 81 -17.476 -2.450 13.180 615 2HG ARG 81 HG1 ARG 81 -16.452 -2.125 11.781 616 1HD ARG 81 HD2 ARG 81 -17.171 -4.950 12.254 617 2HD ARG 81 HD1 ARG 81 -18.485 -3.885 11.756 618 HE ARG 81 HE ARG 81 -16.478 -4.932 10.099 619 1HH1 ARG 81 HH11 ARG 81 -18.155 -1.921 10.687 620 2HH1 ARG 81 HH12 ARG 81 -17.932 -1.344 9.068 621 1HH2 ARG 81 HH21 ARG 81 -16.189 -4.170 7.980 622 2HH2 ARG 81 HH22 ARG 81 -16.815 -2.619 7.533 623 H HIS 82 HN HIS 82 -14.782 -4.400 16.922 624 HA HIS 82 HA HIS 82 -14.165 -7.040 16.072 625 1HB HIS 82 HB2 HIS 82 -13.576 -5.325 18.289 626 2HB HIS 82 HB1 HIS 82 -14.172 -6.864 18.915 627 HD1 HIS 82 HD1 HIS 82 -12.356 -8.476 19.319 628 HD2 HIS 82 HD2 HIS 82 -11.464 -5.931 16.159 629 HE1 HIS 82 HE1 HIS 82 -10.069 -9.161 18.531 630 HE2 HIS 82 HE2 HIS 82 -9.524 -7.570 16.654 631 H MET 83 HN MET 83 -16.887 -5.517 17.597 632 HA MET 83 HA MET 83 -18.058 -8.100 18.303 633 1HB MET 83 HB2 MET 83 -18.113 -5.641 19.564 634 2HB MET 83 HB1 MET 83 -19.694 -5.725 18.801 635 1HG MET 83 HG2 MET 83 -19.594 -8.172 19.884 636 2HG MET 83 HG1 MET 83 -18.571 -7.302 21.026 637 1HE MET 83 HE1 MET 83 -19.748 -7.642 22.915 638 2HE MET 83 HE2 MET 83 -21.306 -6.971 23.391 639 3HE MET 83 HE3 MET 83 -19.910 -5.910 23.205 640 H ASN 84 HN ASN 84 -18.072 -8.444 15.858 641 HA ASN 84 HA ASN 84 -20.358 -7.146 14.574 642 1HB ASN 84 HB2 ASN 84 -19.517 -8.080 12.482 643 2HB ASN 84 HB1 ASN 84 -18.242 -7.194 13.314 644 1HD2 ASN 84 HD21 ASN 84 -16.688 -8.461 14.542 645 2HD2 ASN 84 HD22 ASN 84 -16.280 -10.047 13.992 646 H VAL 85 HN VAL 85 -19.103 -10.387 15.327 647 HA VAL 85 HA VAL 85 -21.864 -11.360 15.323 648 HB VAL 85 HB VAL 85 -20.942 -11.975 13.123 649 1HG1 VAL 85 HG11 VAL 85 -19.190 -13.978 13.416 650 2HG1 VAL 85 HG12 VAL 85 -18.720 -12.983 14.790 651 3HG1 VAL 85 HG13 VAL 85 -18.703 -12.303 13.166 652 1HG2 VAL 85 HG21 VAL 85 -22.528 -13.435 14.523 653 2HG2 VAL 85 HG22 VAL 85 -21.129 -14.486 14.749 654 3HG2 VAL 85 HG23 VAL 85 -21.739 -14.164 13.125
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