NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28376 | 2yu0 | 10275 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -16.844 0.162 26.570 2 HA2 GLY 1 1HA GLY 1 -15.583 -0.595 24.521 3 HA3 GLY 1 2HA GLY 1 -16.791 0.309 23.620 4 H SER 2 H SER 2 -13.731 0.484 24.243 5 HA SER 2 HA SER 2 -13.495 3.130 25.367 6 HB2 SER 2 1HB SER 2 -11.086 2.855 24.944 7 HB3 SER 2 2HB SER 2 -11.750 1.448 25.775 8 HG SER 2 HG SER 2 -11.140 1.690 23.015 9 H SER 3 H SER 3 -12.002 4.702 24.102 10 HA SER 3 HA SER 3 -12.859 4.802 21.286 11 HB2 SER 3 1HB SER 3 -14.064 6.394 22.952 12 HB3 SER 3 2HB SER 3 -12.552 7.302 22.928 13 HG SER 3 HG SER 3 -13.466 8.182 21.235 14 H GLY 4 H GLY 4 -11.540 6.640 20.132 15 HA2 GLY 4 1HA GLY 4 -9.423 7.756 19.937 16 HA3 GLY 4 2HA GLY 4 -8.749 6.590 21.065 17 H SER 5 H SER 5 -7.036 6.201 19.584 18 HA SER 5 HA SER 5 -5.974 4.886 18.055 19 HB2 SER 5 1HB SER 5 -7.931 3.277 18.819 20 HB3 SER 5 2HB SER 5 -8.520 3.582 17.185 21 HG SER 5 HG SER 5 -5.865 2.759 17.723 22 H SER 6 H SER 6 -6.778 7.435 17.331 23 HA SER 6 HA SER 6 -7.646 7.125 14.535 24 HB2 SER 6 1HB SER 6 -7.924 9.356 16.520 25 HB3 SER 6 2HB SER 6 -7.928 9.720 14.793 26 HG SER 6 HG SER 6 -9.569 7.814 14.881 27 H GLY 7 H GLY 7 -5.009 6.484 15.201 28 HA2 GLY 7 1HA GLY 7 -3.456 8.810 14.282 29 HA3 GLY 7 2HA GLY 7 -2.792 7.402 15.098 30 H ILE 8 H ILE 8 -4.764 7.998 12.184 31 HA ILE 8 HA ILE 8 -3.164 5.991 10.773 32 HB ILE 8 HB ILE 8 -5.752 7.326 9.972 33 HG12 ILE 8 1HG1 ILE 8 -6.392 4.745 10.208 34 HG13 ILE 8 2HG1 ILE 8 -5.061 4.782 11.359 35 HG21 ILE 8 1HG2 ILE 8 -5.471 5.080 8.426 36 HG22 ILE 8 2HG2 ILE 8 -5.148 6.732 7.905 37 HG23 ILE 8 3HG2 ILE 8 -3.829 5.717 8.485 38 HD11 ILE 8 3HD1 ILE 8 -7.733 6.042 11.499 39 HD12 ILE 8 1HD1 ILE 8 -6.775 5.263 12.757 40 HD13 ILE 8 2HD1 ILE 8 -6.383 6.902 12.236 41 H VAL 9 H VAL 9 -2.043 6.426 8.902 42 HA VAL 9 HA VAL 9 -1.950 9.221 7.997 43 HB VAL 9 HB VAL 9 0.502 7.509 8.420 44 HG11 VAL 9 1HG1 VAL 9 1.524 8.947 7.075 45 HG12 VAL 9 2HG1 VAL 9 0.019 9.839 6.849 46 HG13 VAL 9 3HG1 VAL 9 1.104 10.258 8.175 47 HG21 VAL 9 3HG2 VAL 9 0.009 8.066 10.585 48 HG22 VAL 9 1HG2 VAL 9 0.922 9.496 10.103 49 HG23 VAL 9 2HG2 VAL 9 -0.840 9.542 10.130 50 H LEU 10 H LEU 10 -1.596 9.520 5.823 51 HA LEU 10 HA LEU 10 -2.468 7.636 4.020 52 HB2 LEU 10 1HB LEU 10 -0.482 9.834 3.464 53 HB3 LEU 10 2HB LEU 10 -1.493 9.018 2.273 54 HG LEU 10 HG LEU 10 -2.649 10.625 4.539 55 HD11 LEU 10 1HD1 LEU 10 -1.141 12.047 3.206 56 HD12 LEU 10 2HD1 LEU 10 -2.835 12.502 3.030 57 HD13 LEU 10 3HD1 LEU 10 -2.030 11.594 1.751 58 HD21 LEU 10 3HD2 LEU 10 -4.649 10.260 3.579 59 HD22 LEU 10 1HD2 LEU 10 -3.838 8.876 2.846 60 HD23 LEU 10 2HD2 LEU 10 -4.003 10.381 1.941 61 H LEU 11 H LEU 11 0.615 7.875 5.519 62 HA LEU 11 HA LEU 11 1.924 6.171 3.562 63 HB2 LEU 11 1HB LEU 11 2.930 8.146 4.977 64 HB3 LEU 11 2HB LEU 11 3.150 6.880 6.183 65 HG LEU 11 HG LEU 11 5.137 7.413 4.702 66 HD11 LEU 11 1HD1 LEU 11 5.191 4.726 4.155 67 HD12 LEU 11 2HD1 LEU 11 4.029 4.833 5.477 68 HD13 LEU 11 3HD1 LEU 11 5.658 5.478 5.681 69 HD21 LEU 11 3HD2 LEU 11 5.138 6.980 2.482 70 HD22 LEU 11 1HD2 LEU 11 3.411 7.297 2.655 71 HD23 LEU 11 2HD2 LEU 11 4.005 5.636 2.631 72 H ARG 12 H ARG 12 0.725 6.013 6.875 73 HA ARG 12 HA ARG 12 1.716 3.577 7.689 74 HB2 ARG 12 1HB ARG 12 0.230 5.259 8.954 75 HB3 ARG 12 2HB ARG 12 -1.125 4.385 8.253 76 HG2 ARG 12 1HG ARG 12 -0.008 2.292 9.258 77 HG3 ARG 12 2HG ARG 12 0.897 3.444 10.242 78 HD2 ARG 12 1HD ARG 12 -1.110 4.323 11.187 79 HD3 ARG 12 2HD ARG 12 -2.108 3.417 10.051 80 HE ARG 12 HE ARG 12 -1.948 1.605 11.430 81 HH11 ARG 12 1HH1 ARG 12 0.598 3.845 12.220 82 HH12 ARG 12 2HH1 ARG 12 1.127 2.955 13.610 83 HH21 ARG 12 1HH2 ARG 12 -1.261 0.426 13.257 84 HH22 ARG 12 2HH2 ARG 12 0.070 1.011 14.199 85 H GLY 13 H GLY 13 -0.519 4.218 5.175 86 HA2 GLY 13 1HA GLY 13 -2.160 2.045 5.023 87 HA3 GLY 13 2HA GLY 13 -1.426 2.790 3.610 88 H LEU 14 H LEU 14 1.280 2.021 4.788 89 HA LEU 14 HA LEU 14 1.312 -0.655 3.619 90 HB2 LEU 14 1HB LEU 14 3.647 1.052 4.455 91 HB3 LEU 14 2HB LEU 14 3.688 -0.389 3.438 92 HG LEU 14 HG LEU 14 2.280 2.145 2.626 93 HD11 LEU 14 1HD1 LEU 14 5.089 1.291 1.945 94 HD12 LEU 14 2HD1 LEU 14 4.654 2.619 3.020 95 HD13 LEU 14 3HD1 LEU 14 4.238 2.698 1.308 96 HD21 LEU 14 3HD2 LEU 14 3.315 -0.178 1.007 97 HD22 LEU 14 1HD2 LEU 14 2.390 1.201 0.413 98 HD23 LEU 14 2HD2 LEU 14 1.636 0.036 1.503 99 H GLU 15 H GLU 15 2.811 0.959 6.429 100 HA GLU 15 HA GLU 15 3.686 -1.286 7.769 101 HB2 GLU 15 1HB GLU 15 2.734 1.391 8.753 102 HB3 GLU 15 2HB GLU 15 3.272 0.151 9.877 103 HG2 GLU 15 1HG GLU 15 5.041 0.863 7.598 104 HG3 GLU 15 2HG GLU 15 4.917 1.979 8.956 105 H CYS 16 H CYS 16 0.457 -0.121 7.371 106 HA CYS 16 HA CYS 16 -0.821 -1.285 9.559 107 HB2 CYS 16 1HB CYS 16 -1.905 0.298 8.001 108 HB3 CYS 16 2HB CYS 16 -1.904 -0.944 6.755 109 HG CYS 16 HG CYS 16 -3.625 -1.130 9.707 110 H ILE 17 H ILE 17 -0.305 -2.628 6.302 111 HA ILE 17 HA ILE 17 -1.382 -5.185 6.994 112 HB ILE 17 HB ILE 17 -0.415 -5.914 4.806 113 HG12 ILE 17 1HG1 ILE 17 0.253 -3.028 4.310 114 HG13 ILE 17 2HG1 ILE 17 1.450 -4.112 5.010 115 HG21 ILE 17 1HG2 ILE 17 -1.775 -3.836 3.627 116 HG22 ILE 17 2HG2 ILE 17 -2.496 -5.311 4.267 117 HG23 ILE 17 3HG2 ILE 17 -2.425 -3.860 5.265 118 HD11 ILE 17 3HD1 ILE 17 1.353 -5.534 3.073 119 HD12 ILE 17 1HD1 ILE 17 0.053 -4.563 2.385 120 HD13 ILE 17 2HD1 ILE 17 1.665 -3.872 2.574 121 H ASN 18 H ASN 18 -0.174 -7.203 6.928 122 HA ASN 18 HA ASN 18 2.231 -7.018 8.504 123 HB2 ASN 18 1HB ASN 18 1.037 -9.543 7.367 124 HB3 ASN 18 2HB ASN 18 2.038 -9.366 8.805 125 HD21 ASN 18 1HD2 ASN 18 1.125 -8.470 10.682 126 HD22 ASN 18 2HD2 ASN 18 -0.585 -8.446 10.924 127 H LYS 19 H LYS 19 4.288 -7.649 7.930 128 HA LYS 19 HA LYS 19 5.381 -7.033 5.566 129 HB2 LYS 19 1HB LYS 19 6.574 -7.863 7.639 130 HB3 LYS 19 2HB LYS 19 6.267 -9.497 7.068 131 HG2 LYS 19 1HG LYS 19 7.594 -7.594 5.215 132 HG3 LYS 19 2HG LYS 19 8.531 -8.252 6.560 133 HD2 LYS 19 1HD LYS 19 8.011 -10.518 5.832 134 HD3 LYS 19 2HD LYS 19 7.022 -9.883 4.515 135 HE2 LYS 19 1HE LYS 19 9.964 -9.319 4.853 136 HE3 LYS 19 2HE LYS 19 9.314 -10.602 3.834 137 HZ1 LYS 19 3HZ LYS 19 9.076 -9.127 2.221 138 HZ2 LYS 19 1HZ LYS 19 9.643 -7.883 3.218 139 HZ3 LYS 19 2HZ LYS 19 7.990 -8.241 3.168 140 H HIS 20 H HIS 20 3.780 -10.087 6.295 141 HA HIS 20 HA HIS 20 4.448 -11.613 4.113 142 HB2 HIS 20 1HB HIS 20 3.092 -12.558 5.845 143 HB3 HIS 20 2HB HIS 20 1.808 -11.384 5.564 144 HD1 HIS 20 HD1 HIS 20 3.572 -14.056 3.491 145 HD2 HIS 20 HD2 HIS 20 -0.209 -12.464 4.142 146 HE1 HIS 20 HE1 HIS 20 2.017 -15.399 2.041 147 HE2 HIS 20 HE2 HIS 20 -0.251 -14.362 2.387 148 H TYR 21 H TYR 21 1.434 -9.709 4.269 149 HA TYR 21 HA TYR 21 0.857 -9.874 1.542 150 HB2 TYR 21 1HB TYR 21 0.001 -8.020 3.737 151 HB3 TYR 21 2HB TYR 21 -0.478 -7.687 2.076 152 HD1 TYR 21 HD1 TYR 21 -1.019 -10.348 1.006 153 HD2 TYR 21 HD2 TYR 21 -1.916 -8.729 4.837 154 HE1 TYR 21 HE1 TYR 21 -2.894 -11.924 1.227 155 HE2 TYR 21 HE2 TYR 21 -3.794 -10.301 5.068 156 HH TYR 21 HH TYR 21 -4.633 -12.556 2.460 157 H PHE 22 H PHE 22 2.644 -7.432 3.372 158 HA PHE 22 HA PHE 22 2.980 -5.447 1.532 159 HB2 PHE 22 1HB PHE 22 3.905 -5.346 3.800 160 HB3 PHE 22 2HB PHE 22 5.107 -6.561 3.374 161 HD1 PHE 22 HD1 PHE 22 3.912 -3.485 1.637 162 HD2 PHE 22 HD2 PHE 22 7.186 -5.588 3.360 163 HE1 PHE 22 HE1 PHE 22 5.440 -1.704 0.896 164 HE2 PHE 22 HE2 PHE 22 8.720 -3.811 2.623 165 HZ PHE 22 HZ PHE 22 7.848 -1.866 1.390 166 H SER 23 H SER 23 5.001 -8.364 1.815 167 HA SER 23 HA SER 23 6.837 -7.959 -0.147 168 HB2 SER 23 1HB SER 23 6.426 -10.034 1.363 169 HB3 SER 23 2HB SER 23 5.449 -10.621 0.017 170 HG SER 23 HG SER 23 7.301 -11.291 -0.720 171 H LEU 24 H LEU 24 3.527 -9.150 -0.614 172 HA LEU 24 HA LEU 24 3.665 -9.564 -3.379 173 HB2 LEU 24 1HB LEU 24 1.366 -8.868 -1.570 174 HB3 LEU 24 2HB LEU 24 1.160 -9.213 -3.286 175 HG LEU 24 HG LEU 24 2.368 -11.452 -2.684 176 HD11 LEU 24 1HD1 LEU 24 2.039 -10.226 -0.107 177 HD12 LEU 24 2HD1 LEU 24 2.865 -11.722 -0.541 178 HD13 LEU 24 3HD1 LEU 24 1.136 -11.738 -0.192 179 HD21 LEU 24 3HD2 LEU 24 0.311 -12.477 -2.675 180 HD22 LEU 24 1HD2 LEU 24 -0.105 -10.892 -3.328 181 HD23 LEU 24 2HD2 LEU 24 -0.415 -11.256 -1.630 182 H PHE 25 H PHE 25 2.721 -6.695 -1.522 183 HA PHE 25 HA PHE 25 1.911 -5.054 -3.602 184 HB2 PHE 25 1HB PHE 25 1.733 -4.534 -1.159 185 HB3 PHE 25 2HB PHE 25 3.452 -4.157 -1.161 186 HD1 PHE 25 HD1 PHE 25 0.725 -3.330 -3.563 187 HD2 PHE 25 HD2 PHE 25 3.691 -1.888 -0.871 188 HE1 PHE 25 HE1 PHE 25 0.212 -1.021 -4.239 189 HE2 PHE 25 HE2 PHE 25 3.181 0.423 -1.543 190 HZ PHE 25 HZ PHE 25 1.440 0.859 -3.229 191 H LYS 26 H LYS 26 5.174 -5.561 -2.311 192 HA LYS 26 HA LYS 26 6.490 -3.692 -3.945 193 HB2 LYS 26 1HB LYS 26 7.342 -6.098 -2.390 194 HB3 LYS 26 2HB LYS 26 8.481 -5.364 -3.511 195 HG2 LYS 26 1HG LYS 26 8.359 -3.267 -2.342 196 HG3 LYS 26 2HG LYS 26 7.090 -3.889 -1.286 197 HD2 LYS 26 1HD LYS 26 9.889 -5.002 -1.457 198 HD3 LYS 26 2HD LYS 26 9.326 -3.875 -0.221 199 HE2 LYS 26 1HE LYS 26 7.538 -5.578 0.326 200 HE3 LYS 26 2HE LYS 26 8.417 -6.702 -0.709 201 HZ1 LYS 26 3HZ LYS 26 10.045 -5.368 1.268 202 HZ2 LYS 26 1HZ LYS 26 9.998 -7.001 0.825 203 HZ3 LYS 26 2HZ LYS 26 8.861 -6.386 1.917 204 H SER 27 H SER 27 5.508 -7.007 -4.490 205 HA SER 27 HA SER 27 7.048 -7.436 -6.838 206 HB2 SER 27 1HB SER 27 4.791 -8.819 -5.476 207 HB3 SER 27 2HB SER 27 5.059 -9.192 -7.179 208 HG SER 27 HG SER 27 7.400 -9.371 -6.313 209 H LEU 28 H LEU 28 3.729 -6.350 -6.267 210 HA LEU 28 HA LEU 28 2.986 -6.219 -8.999 211 HB2 LEU 28 1HB LEU 28 1.855 -4.635 -6.697 212 HB3 LEU 28 2HB LEU 28 1.073 -4.959 -8.243 213 HG LEU 28 HG LEU 28 1.786 -7.127 -6.279 214 HD11 LEU 28 1HD1 LEU 28 -0.398 -5.189 -6.233 215 HD12 LEU 28 2HD1 LEU 28 0.195 -6.265 -4.968 216 HD13 LEU 28 3HD1 LEU 28 -0.932 -6.870 -6.183 217 HD21 LEU 28 3HD2 LEU 28 -0.428 -7.340 -8.230 218 HD22 LEU 28 1HD2 LEU 28 0.710 -8.563 -7.661 219 HD23 LEU 28 2HD2 LEU 28 1.214 -7.388 -8.875 220 H LEU 29 H LEU 29 4.803 -4.134 -6.937 221 HA LEU 29 HA LEU 29 4.586 -1.905 -8.826 222 HB2 LEU 29 1HB LEU 29 5.428 -2.184 -5.990 223 HB3 LEU 29 2HB LEU 29 6.154 -0.892 -6.944 224 HG LEU 29 HG LEU 29 4.224 -0.142 -5.605 225 HD11 LEU 29 1HD1 LEU 29 3.451 1.293 -7.210 226 HD12 LEU 29 2HD1 LEU 29 3.335 0.034 -8.440 227 HD13 LEU 29 3HD1 LEU 29 4.909 0.695 -8.001 228 HD21 LEU 29 3HD2 LEU 29 2.181 -1.282 -7.307 229 HD22 LEU 29 1HD2 LEU 29 2.284 -1.228 -5.547 230 HD23 LEU 29 2HD2 LEU 29 3.076 -2.529 -6.438 231 H ALA 30 H ALA 30 6.625 -4.497 -7.997 232 HA ALA 30 HA ALA 30 9.187 -3.695 -8.356 233 HB1 ALA 30 3HB ALA 30 7.862 -6.145 -9.506 234 HB2 ALA 30 1HB ALA 30 9.607 -5.896 -9.451 235 HB3 ALA 30 2HB ALA 30 8.684 -5.999 -7.952 236 H ARG 31 H ARG 31 6.759 -4.093 -10.887 237 HA ARG 31 HA ARG 31 8.551 -3.602 -13.050 238 HB2 ARG 31 1HB ARG 31 6.211 -3.054 -14.183 239 HB3 ARG 31 2HB ARG 31 6.708 -4.705 -13.832 240 HG2 ARG 31 1HG ARG 31 5.203 -3.231 -11.741 241 HG3 ARG 31 2HG ARG 31 4.325 -3.789 -13.167 242 HD2 ARG 31 1HD ARG 31 6.141 -5.676 -11.738 243 HD3 ARG 31 2HD ARG 31 4.558 -5.318 -11.048 244 HE ARG 31 HE ARG 31 4.044 -5.943 -13.656 245 HH11 ARG 31 1HH1 ARG 31 5.652 -7.535 -11.010 246 HH12 ARG 31 2HH1 ARG 31 5.249 -9.131 -11.553 247 HH21 ARG 31 1HH2 ARG 31 3.507 -8.038 -14.381 248 HH22 ARG 31 2HH2 ARG 31 4.029 -9.415 -13.472 249 H ASP 32 H ASP 32 6.119 -1.608 -11.391 250 HA ASP 32 HA ASP 32 6.615 0.737 -12.894 251 HB2 ASP 32 1HB ASP 32 5.277 0.193 -10.257 252 HB3 ASP 32 2HB ASP 32 5.518 1.845 -10.819 253 H LEU 33 H LEU 33 7.458 0.051 -9.493 254 HA LEU 33 HA LEU 33 9.262 2.226 -9.294 255 HB2 LEU 33 1HB LEU 33 9.124 -0.267 -7.605 256 HB3 LEU 33 2HB LEU 33 9.930 1.240 -7.174 257 HG LEU 33 HG LEU 33 6.955 0.865 -7.527 258 HD11 LEU 33 1HD1 LEU 33 6.757 0.592 -5.300 259 HD12 LEU 33 2HD1 LEU 33 8.118 1.653 -4.937 260 HD13 LEU 33 3HD1 LEU 33 8.407 -0.012 -5.441 261 HD21 LEU 33 3HD2 LEU 33 6.849 3.072 -7.734 262 HD22 LEU 33 1HD2 LEU 33 8.600 3.208 -7.566 263 HD23 LEU 33 2HD2 LEU 33 7.573 3.227 -6.132 264 H ASN 34 H ASN 34 9.546 -0.857 -10.694 265 HA ASN 34 HA ASN 34 11.262 -1.911 -11.756 266 HB2 ASN 34 1HB ASN 34 11.774 0.480 -12.478 267 HB3 ASN 34 2HB ASN 34 12.968 0.513 -11.183 268 HD21 ASN 34 1HD2 ASN 34 14.538 0.871 -12.833 269 HD22 ASN 34 2HD2 ASN 34 15.149 -0.454 -13.756 270 H LEU 35 H LEU 35 10.837 -2.269 -8.951 271 HA LEU 35 HA LEU 35 13.123 -2.205 -7.377 272 HB2 LEU 35 1HB LEU 35 10.964 -4.309 -7.357 273 HB3 LEU 35 2HB LEU 35 12.082 -3.954 -6.044 274 HG LEU 35 HG LEU 35 9.937 -2.100 -7.081 275 HD11 LEU 35 1HD1 LEU 35 8.536 -3.050 -5.650 276 HD12 LEU 35 2HD1 LEU 35 9.694 -2.878 -4.331 277 HD13 LEU 35 3HD1 LEU 35 9.739 -4.308 -5.363 278 HD21 LEU 35 3HD2 LEU 35 10.513 -0.751 -5.097 279 HD22 LEU 35 1HD2 LEU 35 11.838 -0.854 -6.257 280 HD23 LEU 35 2HD2 LEU 35 11.877 -1.826 -4.786 281 H GLU 36 H GLU 36 14.103 -4.410 -6.527 282 HA GLU 36 HA GLU 36 15.693 -5.421 -8.650 283 HB2 GLU 36 1HB GLU 36 15.448 -5.964 -5.727 284 HB3 GLU 36 2HB GLU 36 16.300 -7.135 -6.722 285 HG2 GLU 36 1HG GLU 36 17.026 -4.264 -6.966 286 HG3 GLU 36 2HG GLU 36 17.566 -5.162 -5.548 287 H ARG 37 H ARG 37 16.029 -7.959 -8.660 288 HA ARG 37 HA ARG 37 13.431 -9.064 -9.423 289 HB2 ARG 37 1HB ARG 37 14.733 -10.781 -10.603 290 HB3 ARG 37 2HB ARG 37 15.205 -9.160 -11.096 291 HG2 ARG 37 1HG ARG 37 17.020 -9.499 -9.207 292 HG3 ARG 37 2HG ARG 37 16.723 -11.200 -9.571 293 HD2 ARG 37 1HD ARG 37 17.175 -9.289 -11.816 294 HD3 ARG 37 2HD ARG 37 18.557 -9.840 -10.868 295 HE ARG 37 HE ARG 37 17.158 -12.111 -11.558 296 HH11 ARG 37 1HH1 ARG 37 18.749 -9.507 -13.232 297 HH12 ARG 37 2HH1 ARG 37 19.165 -10.472 -14.609 298 HH21 ARG 37 1HH2 ARG 37 17.700 -13.393 -13.365 299 HH22 ARG 37 2HH2 ARG 37 18.567 -12.682 -14.684 300 H ASP 38 H ASP 38 16.109 -9.609 -7.228 301 HA ASP 38 HA ASP 38 14.501 -11.674 -5.883 302 HB2 ASP 38 1HB ASP 38 17.506 -11.803 -5.967 303 HB3 ASP 38 2HB ASP 38 16.362 -13.073 -5.541 304 H ASN 39 H ASN 39 15.842 -8.693 -5.671 305 HA ASN 39 HA ASN 39 16.389 -8.918 -2.789 306 HB2 ASN 39 1HB ASN 39 17.428 -7.137 -4.940 307 HB3 ASN 39 2HB ASN 39 17.281 -6.460 -3.320 308 HD21 ASN 39 1HD2 ASN 39 17.925 -8.548 -1.729 309 HD22 ASN 39 2HD2 ASN 39 19.561 -9.032 -2.007 310 H GLN 40 H GLN 40 13.723 -8.884 -3.826 311 HA GLN 40 HA GLN 40 12.701 -6.208 -3.378 312 HB2 GLN 40 1HB GLN 40 11.537 -8.812 -4.261 313 HB3 GLN 40 2HB GLN 40 10.461 -7.592 -3.594 314 HG2 GLN 40 1HG GLN 40 11.286 -5.991 -5.279 315 HG3 GLN 40 2HG GLN 40 12.268 -7.278 -5.978 316 HE21 GLN 40 1HE2 GLN 40 11.369 -7.768 -7.853 317 HE22 GLN 40 2HE2 GLN 40 9.696 -8.115 -8.112 318 H GLU 41 H GLU 41 13.525 -8.845 -1.479 319 HA GLU 41 HA GLU 41 11.503 -8.337 0.560 320 HB2 GLU 41 1HB GLU 41 13.757 -10.349 0.458 321 HB3 GLU 41 2HB GLU 41 12.569 -10.235 1.749 322 HG2 GLU 41 1HG GLU 41 10.811 -10.902 0.321 323 HG3 GLU 41 2HG GLU 41 11.810 -10.705 -1.117 324 H GLN 42 H GLN 42 14.920 -7.858 -0.046 325 HA GLN 42 HA GLN 42 15.701 -7.147 2.562 326 HB2 GLN 42 1HB GLN 42 17.649 -6.103 1.489 327 HB3 GLN 42 2HB GLN 42 17.327 -7.702 0.832 328 HG2 GLN 42 1HG GLN 42 16.692 -6.892 -1.206 329 HG3 GLN 42 2HG GLN 42 16.165 -5.344 -0.550 330 HE21 GLN 42 1HE2 GLN 42 17.308 -4.130 -2.020 331 HE22 GLN 42 2HE2 GLN 42 19.031 -4.019 -2.006 332 H TYR 43 H TYR 43 13.674 -5.572 0.382 333 HA TYR 43 HA TYR 43 14.292 -2.874 1.175 334 HB2 TYR 43 1HB TYR 43 12.168 -4.140 -0.528 335 HB3 TYR 43 2HB TYR 43 12.029 -2.456 -0.035 336 HD1 TYR 43 HD1 TYR 43 14.703 -1.413 -0.237 337 HD2 TYR 43 HD2 TYR 43 12.731 -4.207 -2.768 338 HE1 TYR 43 HE1 TYR 43 16.162 -0.744 -2.101 339 HE2 TYR 43 HE2 TYR 43 14.185 -3.546 -4.639 340 HH TYR 43 HH TYR 43 15.627 -1.905 -5.359 341 H THR 44 H THR 44 12.426 -1.471 1.987 342 HA THR 44 HA THR 44 10.720 -2.871 3.908 343 HB THR 44 HB THR 44 11.325 -1.407 5.741 344 HG1 THR 44 HG1 THR 44 11.959 0.387 4.325 345 HG21 THR 44 3HG2 THR 44 13.964 -2.339 4.672 346 HG22 THR 44 1HG2 THR 44 12.716 -3.505 5.109 347 HG23 THR 44 2HG2 THR 44 13.348 -2.393 6.324 348 H THR 45 H THR 45 8.886 -1.694 4.579 349 HA THR 45 HA THR 45 7.472 -0.300 2.760 350 HB THR 45 HB THR 45 6.135 0.678 4.569 351 HG1 THR 45 HG1 THR 45 7.855 -0.443 6.493 352 HG21 THR 45 3HG2 THR 45 5.689 -1.450 5.842 353 HG22 THR 45 1HG2 THR 45 7.064 -2.159 4.998 354 HG23 THR 45 2HG2 THR 45 5.658 -1.608 4.086 355 H ILE 46 H ILE 46 10.054 0.957 4.723 356 HA ILE 46 HA ILE 46 9.506 3.717 4.338 357 HB ILE 46 HB ILE 46 12.022 2.248 5.104 358 HG12 ILE 46 1HG1 ILE 46 10.278 2.252 6.796 359 HG13 ILE 46 2HG1 ILE 46 11.583 3.320 7.299 360 HG21 ILE 46 1HG2 ILE 46 12.645 4.279 3.903 361 HG22 ILE 46 2HG2 ILE 46 11.602 5.230 4.957 362 HG23 ILE 46 3HG2 ILE 46 13.019 4.418 5.620 363 HD11 ILE 46 3HD1 ILE 46 10.037 4.859 7.664 364 HD12 ILE 46 1HD1 ILE 46 9.836 4.967 5.916 365 HD13 ILE 46 2HD1 ILE 46 8.797 3.898 6.858 366 H GLN 47 H GLN 47 12.229 1.830 3.017 367 HA GLN 47 HA GLN 47 13.047 3.608 1.092 368 HB2 GLN 47 1HB GLN 47 13.047 0.589 0.941 369 HB3 GLN 47 2HB GLN 47 13.969 1.643 -0.124 370 HG2 GLN 47 1HG GLN 47 14.956 2.577 2.088 371 HG3 GLN 47 2HG GLN 47 14.372 1.061 2.773 372 HE21 GLN 47 1HE2 GLN 47 15.161 -0.920 1.847 373 HE22 GLN 47 2HE2 GLN 47 16.727 -0.966 1.121 374 H ILE 48 H ILE 48 10.409 1.289 0.929 375 HA ILE 48 HA ILE 48 9.882 1.679 -1.852 376 HB ILE 48 HB ILE 48 8.033 0.585 0.270 377 HG12 ILE 48 1HG1 ILE 48 10.079 -0.711 0.224 378 HG13 ILE 48 2HG1 ILE 48 8.799 -1.636 -0.552 379 HG21 ILE 48 1HG2 ILE 48 7.941 -0.113 -2.634 380 HG22 ILE 48 2HG2 ILE 48 6.668 -0.207 -1.418 381 HG23 ILE 48 3HG2 ILE 48 7.167 1.360 -2.053 382 HD11 ILE 48 3HD1 ILE 48 11.334 -0.794 -1.592 383 HD12 ILE 48 1HD1 ILE 48 10.158 -1.918 -2.271 384 HD13 ILE 48 2HD1 ILE 48 10.020 -0.191 -2.602 385 H ALA 49 H ALA 49 8.638 3.056 1.143 386 HA ALA 49 HA ALA 49 6.430 4.428 0.128 387 HB1 ALA 49 3HB ALA 49 6.422 4.473 2.403 388 HB2 ALA 49 1HB ALA 49 8.166 4.716 2.516 389 HB3 ALA 49 2HB ALA 49 7.112 6.068 2.100 390 H ASN 50 H ASN 50 9.701 5.721 0.746 391 HA ASN 50 HA ASN 50 9.338 8.242 -0.330 392 HB2 ASN 50 1HB ASN 50 11.805 6.499 -0.257 393 HB3 ASN 50 2HB ASN 50 11.830 8.188 -0.753 394 HD21 ASN 50 1HD2 ASN 50 11.975 6.041 1.829 395 HD22 ASN 50 2HD2 ASN 50 11.881 7.189 3.117 396 H MET 51 H MET 51 10.220 5.233 -1.964 397 HA MET 51 HA MET 51 10.793 6.263 -4.489 398 HB2 MET 51 1HB MET 51 9.898 3.622 -3.446 399 HB3 MET 51 2HB MET 51 9.780 3.894 -5.179 400 HG2 MET 51 1HG MET 51 12.254 4.688 -4.928 401 HG3 MET 51 2HG MET 51 12.193 3.740 -3.444 402 HE1 MET 51 3HE MET 51 13.221 1.546 -3.476 403 HE2 MET 51 1HE MET 51 11.517 1.087 -3.440 404 HE3 MET 51 2HE MET 51 12.638 0.231 -4.498 405 H MET 52 H MET 52 7.697 5.277 -3.078 406 HA MET 52 HA MET 52 6.183 5.763 -5.443 407 HB2 MET 52 1HB MET 52 5.324 5.532 -2.553 408 HB3 MET 52 2HB MET 52 4.219 5.601 -3.918 409 HG2 MET 52 1HG MET 52 5.534 3.557 -4.787 410 HG3 MET 52 2HG MET 52 6.100 3.422 -3.124 411 HE1 MET 52 3HE MET 52 3.947 2.519 -5.644 412 HE2 MET 52 1HE MET 52 2.711 1.513 -4.890 413 HE3 MET 52 2HE MET 52 2.383 3.215 -5.216 414 H GLU 53 H GLU 53 6.939 7.653 -2.558 415 HA GLU 53 HA GLU 53 5.221 9.767 -2.777 416 HB2 GLU 53 1HB GLU 53 8.041 9.518 -1.837 417 HB3 GLU 53 2HB GLU 53 7.364 11.131 -2.009 418 HG2 GLU 53 1HG GLU 53 5.390 10.106 -0.621 419 HG3 GLU 53 2HG GLU 53 6.630 8.958 -0.120 420 H GLU 54 H GLU 54 8.417 9.553 -4.348 421 HA GLU 54 HA GLU 54 8.026 11.923 -5.882 422 HB2 GLU 54 1HB GLU 54 10.069 11.188 -7.092 423 HB3 GLU 54 2HB GLU 54 10.268 11.219 -5.345 424 HG2 GLU 54 1HG GLU 54 9.799 8.752 -5.353 425 HG3 GLU 54 2HG GLU 54 9.900 8.817 -7.112 426 H LYS 55 H LYS 55 8.066 8.469 -6.759 427 HA LYS 55 HA LYS 55 7.459 8.693 -9.442 428 HB2 LYS 55 1HB LYS 55 8.064 6.581 -8.312 429 HB3 LYS 55 2HB LYS 55 6.483 6.554 -7.542 430 HG2 LYS 55 1HG LYS 55 6.190 5.118 -9.315 431 HG3 LYS 55 2HG LYS 55 5.574 6.638 -9.966 432 HD2 LYS 55 1HD LYS 55 7.454 6.970 -11.299 433 HD3 LYS 55 2HD LYS 55 8.445 5.865 -10.343 434 HE2 LYS 55 1HE LYS 55 7.510 3.983 -11.316 435 HE3 LYS 55 2HE LYS 55 6.049 4.839 -11.809 436 HZ1 LYS 55 3HZ LYS 55 7.953 6.139 -13.187 437 HZ2 LYS 55 1HZ LYS 55 7.031 4.860 -13.803 438 HZ3 LYS 55 2HZ LYS 55 8.575 4.565 -13.180 439 H PHE 56 H PHE 56 5.044 7.870 -6.948 440 HA PHE 56 HA PHE 56 3.006 9.162 -8.629 441 HB2 PHE 56 1HB PHE 56 2.253 7.392 -6.351 442 HB3 PHE 56 2HB PHE 56 1.457 7.621 -7.904 443 HD1 PHE 56 HD2 PHE 56 2.236 6.431 -9.888 444 HD2 PHE 56 HD1 PHE 56 3.992 5.772 -6.067 445 HE1 PHE 56 HE2 PHE 56 3.270 4.361 -10.724 446 HE2 PHE 56 HE1 PHE 56 5.030 3.701 -6.897 447 HZ PHE 56 HZ PHE 56 4.669 2.993 -9.228 448 HA PRO 57 HA PRO 57 3.478 12.054 -5.078 449 HB2 PRO 57 1HB PRO 57 3.009 14.282 -6.559 450 HB3 PRO 57 2HB PRO 57 4.606 13.537 -6.423 451 HG2 PRO 57 1HG PRO 57 2.583 13.292 -8.615 452 HG3 PRO 57 2HG PRO 57 4.339 13.505 -8.732 453 HD2 PRO 57 1HD PRO 57 3.139 11.099 -9.050 454 HD3 PRO 57 2HD PRO 57 4.761 11.271 -8.351 455 H ALA 58 H ALA 58 0.996 11.163 -7.221 456 HA ALA 58 HA ALA 58 -1.048 12.959 -6.512 457 HB1 ALA 58 3HB ALA 58 -2.536 10.937 -7.180 458 HB2 ALA 58 1HB ALA 58 -1.528 11.717 -8.398 459 HB3 ALA 58 2HB ALA 58 -1.008 10.201 -7.662 460 H ASP 59 H ASP 59 -0.469 9.640 -5.331 461 HA ASP 59 HA ASP 59 -1.853 10.396 -2.841 462 HB2 ASP 59 1HB ASP 59 -1.734 7.564 -3.834 463 HB3 ASP 59 2HB ASP 59 -2.868 8.293 -2.700 464 H SER 60 H SER 60 1.008 9.289 -4.271 465 HA SER 60 HA SER 60 3.056 8.810 -3.388 466 HB2 SER 60 1HB SER 60 1.972 9.018 -0.595 467 HB3 SER 60 2HB SER 60 3.575 9.434 -1.198 468 HG SER 60 HG SER 60 2.406 11.317 -0.831 469 H GLY 61 H GLY 61 0.970 6.811 -3.889 470 HA2 GLY 61 1HA GLY 61 1.427 4.453 -3.857 471 HA3 GLY 61 2HA GLY 61 2.131 4.651 -2.259 472 H LEU 62 H LEU 62 -0.085 6.348 -1.333 473 HA LEU 62 HA LEU 62 -1.628 4.604 0.035 474 HB2 LEU 62 1HB LEU 62 -1.875 6.850 0.591 475 HB3 LEU 62 2HB LEU 62 -2.251 7.316 -1.067 476 HG LEU 62 HG LEU 62 -4.451 6.174 -0.823 477 HD11 LEU 62 1HD1 LEU 62 -5.163 5.198 1.109 478 HD12 LEU 62 2HD1 LEU 62 -4.106 6.176 2.127 479 HD13 LEU 62 3HD1 LEU 62 -3.443 4.823 1.211 480 HD21 LEU 62 3HD2 LEU 62 -5.231 7.900 1.022 481 HD22 LEU 62 1HD2 LEU 62 -4.722 8.426 -0.582 482 HD23 LEU 62 2HD2 LEU 62 -3.602 8.531 0.777 483 H GLY 63 H GLY 63 -2.511 5.970 -3.140 484 HA2 GLY 63 1HA GLY 63 -4.888 4.487 -3.445 485 HA3 GLY 63 2HA GLY 63 -3.975 5.234 -4.748 486 H LYS 64 H LYS 64 -1.766 3.965 -5.092 487 HA LYS 64 HA LYS 64 -2.306 1.619 -6.372 488 HB2 LYS 64 1HB LYS 64 -0.175 2.888 -6.527 489 HB3 LYS 64 2HB LYS 64 0.289 2.252 -4.954 490 HG2 LYS 64 1HG LYS 64 1.401 0.890 -6.476 491 HG3 LYS 64 2HG LYS 64 -0.010 -0.059 -6.003 492 HD2 LYS 64 1HD LYS 64 -0.086 -0.311 -8.282 493 HD3 LYS 64 2HD LYS 64 -1.095 1.125 -8.088 494 HE2 LYS 64 1HE LYS 64 1.848 1.428 -8.497 495 HE3 LYS 64 2HE LYS 64 0.809 1.079 -9.877 496 HZ1 LYS 64 3HZ LYS 64 1.028 3.501 -8.287 497 HZ2 LYS 64 1HZ LYS 64 -0.540 3.064 -8.751 498 HZ3 LYS 64 2HZ LYS 64 0.652 3.310 -9.926 499 H LEU 65 H LEU 65 -1.586 2.067 -2.964 500 HA LEU 65 HA LEU 65 -1.357 -0.724 -2.379 501 HB2 LEU 65 1HB LEU 65 -0.314 1.086 -1.032 502 HB3 LEU 65 2HB LEU 65 -1.925 1.558 -0.495 503 HG LEU 65 HG LEU 65 -0.567 0.188 1.129 504 HD11 LEU 65 1HD1 LEU 65 -3.258 0.264 0.644 505 HD12 LEU 65 2HD1 LEU 65 -2.492 -0.463 2.056 506 HD13 LEU 65 3HD1 LEU 65 -2.927 -1.468 0.674 507 HD21 LEU 65 3HD2 LEU 65 0.196 -1.352 -0.819 508 HD22 LEU 65 1HD2 LEU 65 -1.326 -2.190 -0.516 509 HD23 LEU 65 2HD2 LEU 65 -0.125 -2.051 0.768 510 H ILE 66 H ILE 66 -3.844 1.707 -1.582 511 HA ILE 66 HA ILE 66 -5.752 0.321 -0.344 512 HB ILE 66 HB ILE 66 -6.096 2.243 -2.629 513 HG12 ILE 66 1HG1 ILE 66 -6.922 2.645 0.229 514 HG13 ILE 66 2HG1 ILE 66 -5.234 2.832 -0.237 515 HG21 ILE 66 1HG2 ILE 66 -8.490 2.381 -1.994 516 HG22 ILE 66 2HG2 ILE 66 -8.040 0.833 -2.708 517 HG23 ILE 66 3HG2 ILE 66 -8.259 0.968 -0.963 518 HD11 ILE 66 3HD1 ILE 66 -6.820 4.888 -0.182 519 HD12 ILE 66 1HD1 ILE 66 -5.652 4.707 -1.492 520 HD13 ILE 66 2HD1 ILE 66 -7.345 4.286 -1.754 521 H GLU 67 H GLU 67 -5.262 0.183 -3.864 522 HA GLU 67 HA GLU 67 -7.320 -1.627 -4.435 523 HB2 GLU 67 1HB GLU 67 -4.708 -1.074 -5.842 524 HB3 GLU 67 2HB GLU 67 -5.934 -2.157 -6.488 525 HG2 GLU 67 1HG GLU 67 -6.687 0.626 -5.733 526 HG3 GLU 67 2HG GLU 67 -5.831 0.332 -7.246 527 H PHE 68 H PHE 68 -3.857 -2.233 -3.872 528 HA PHE 68 HA PHE 68 -3.773 -4.952 -4.188 529 HB2 PHE 68 1HB PHE 68 -1.725 -3.848 -3.779 530 HB3 PHE 68 2HB PHE 68 -2.308 -3.146 -2.275 531 HD1 PHE 68 HD1 PHE 68 -1.514 -6.417 -3.854 532 HD2 PHE 68 HD2 PHE 68 -1.803 -4.161 -0.258 533 HE1 PHE 68 HE1 PHE 68 -0.519 -8.288 -2.604 534 HE2 PHE 68 HE2 PHE 68 -0.808 -6.027 0.999 535 HZ PHE 68 HZ PHE 68 -0.163 -8.094 -0.175 536 H CYS 69 H CYS 69 -5.252 -3.143 -1.628 537 HA CYS 69 HA CYS 69 -5.525 -5.431 0.123 538 HB2 CYS 69 1HB CYS 69 -6.509 -2.584 0.262 539 HB3 CYS 69 2HB CYS 69 -6.971 -3.797 1.450 540 HG CYS 69 HG CYS 69 -3.665 -3.366 0.877 541 H GLU 70 H GLU 70 -7.517 -3.582 -2.113 542 HA GLU 70 HA GLU 70 -10.021 -4.619 -1.476 543 HB2 GLU 70 1HB GLU 70 -8.839 -3.569 -4.030 544 HB3 GLU 70 2HB GLU 70 -10.484 -4.187 -3.986 545 HG2 GLU 70 1HG GLU 70 -9.683 -2.158 -1.971 546 HG3 GLU 70 2HG GLU 70 -9.959 -1.637 -3.633 547 H GLU 71 H GLU 71 -7.603 -5.829 -3.780 548 HA GLU 71 HA GLU 71 -9.026 -7.966 -4.824 549 HB2 GLU 71 1HB GLU 71 -7.009 -8.758 -5.661 550 HB3 GLU 71 2HB GLU 71 -6.678 -7.047 -5.432 551 HG2 GLU 71 1HG GLU 71 -5.718 -7.702 -3.169 552 HG3 GLU 71 2HG GLU 71 -5.769 -9.361 -3.759 553 H VAL 72 H VAL 72 -7.136 -7.766 -1.847 554 HA VAL 72 HA VAL 72 -7.652 -10.546 -1.196 555 HB VAL 72 HB VAL 72 -6.461 -8.563 0.713 556 HG11 VAL 72 1HG1 VAL 72 -5.274 -10.479 1.550 557 HG12 VAL 72 2HG1 VAL 72 -6.989 -10.881 1.436 558 HG13 VAL 72 3HG1 VAL 72 -5.859 -11.475 0.218 559 HG21 VAL 72 3HG2 VAL 72 -5.022 -8.044 -0.971 560 HG22 VAL 72 1HG2 VAL 72 -4.247 -9.527 -0.414 561 HG23 VAL 72 2HG2 VAL 72 -5.301 -9.559 -1.827 562 HA PRO 73 HA PRO 73 -11.432 -9.694 0.939 563 HB2 PRO 73 1HB PRO 73 -11.651 -12.080 2.216 564 HB3 PRO 73 2HB PRO 73 -11.986 -11.879 0.492 565 HG2 PRO 73 1HG PRO 73 -9.519 -12.916 1.834 566 HG3 PRO 73 2HG PRO 73 -10.355 -13.534 0.398 567 HD2 PRO 73 1HD PRO 73 -8.124 -12.010 0.241 568 HD3 PRO 73 2HD PRO 73 -9.402 -11.959 -0.989 569 H ALA 74 H ALA 74 -8.513 -10.774 2.557 570 HA ALA 74 HA ALA 74 -9.511 -10.138 5.194 571 HB1 ALA 74 3HB ALA 74 -6.624 -10.489 4.919 572 HB2 ALA 74 1HB ALA 74 -7.779 -11.328 5.957 573 HB3 ALA 74 2HB ALA 74 -7.572 -11.832 4.279 574 H LEU 75 H LEU 75 -8.369 -8.341 2.648 575 HA LEU 75 HA LEU 75 -7.329 -6.242 4.433 576 HB2 LEU 75 1HB LEU 75 -6.752 -6.730 1.516 577 HB3 LEU 75 2HB LEU 75 -6.169 -5.348 2.441 578 HG LEU 75 HG LEU 75 -5.439 -8.233 2.941 579 HD11 LEU 75 1HD1 LEU 75 -4.432 -7.460 0.903 580 HD12 LEU 75 2HD1 LEU 75 -3.202 -7.509 2.164 581 HD13 LEU 75 3HD1 LEU 75 -3.906 -5.967 1.679 582 HD21 LEU 75 3HD2 LEU 75 -3.643 -7.008 4.350 583 HD22 LEU 75 1HD2 LEU 75 -5.259 -7.229 5.020 584 HD23 LEU 75 2HD2 LEU 75 -4.793 -5.670 4.342 585 H ARG 76 H ARG 76 -9.763 -7.118 2.197 586 HA ARG 76 HA ARG 76 -10.554 -4.735 1.068 587 HB2 ARG 76 1HB ARG 76 -11.976 -7.215 1.890 588 HB3 ARG 76 2HB ARG 76 -12.959 -5.813 1.488 589 HG2 ARG 76 1HG ARG 76 -11.826 -5.689 -0.701 590 HG3 ARG 76 2HG ARG 76 -10.941 -7.160 -0.293 591 HD2 ARG 76 1HD ARG 76 -12.724 -7.959 -1.545 592 HD3 ARG 76 2HD ARG 76 -13.280 -8.177 0.114 593 HE ARG 76 HE ARG 76 -14.972 -6.719 -0.331 594 HH11 ARG 76 1HH1 ARG 76 -12.419 -6.184 -2.637 595 HH12 ARG 76 2HH1 ARG 76 -13.313 -5.015 -3.552 596 HH21 ARG 76 1HH2 ARG 76 -16.158 -5.182 -1.527 597 HH22 ARG 76 2HH2 ARG 76 -15.440 -4.445 -2.919 598 H LYS 77 H LYS 77 -11.102 -5.908 4.336 599 HA LYS 77 HA LYS 77 -12.988 -3.995 5.152 600 HB2 LYS 77 1HB LYS 77 -12.247 -6.131 6.357 601 HB3 LYS 77 2HB LYS 77 -10.890 -5.188 6.959 602 HG2 LYS 77 1HG LYS 77 -12.341 -4.921 8.687 603 HG3 LYS 77 2HG LYS 77 -12.813 -3.538 7.696 604 HD2 LYS 77 1HD LYS 77 -14.571 -5.006 6.665 605 HD3 LYS 77 2HD LYS 77 -14.175 -6.221 7.882 606 HE2 LYS 77 1HE LYS 77 -15.057 -3.403 8.494 607 HE3 LYS 77 2HE LYS 77 -16.128 -4.803 8.475 608 HZ1 LYS 77 3HZ LYS 77 -13.716 -4.693 10.186 609 HZ2 LYS 77 1HZ LYS 77 -15.043 -5.735 10.312 610 HZ3 LYS 77 2HZ LYS 77 -15.213 -4.099 10.706 611 H ARG 78 H ARG 78 -9.489 -3.891 4.942 612 HA ARG 78 HA ARG 78 -9.325 -1.343 6.309 613 HB2 ARG 78 1HB ARG 78 -7.270 -3.070 4.930 614 HB3 ARG 78 2HB ARG 78 -6.889 -1.506 5.638 615 HG2 ARG 78 1HG ARG 78 -8.148 -3.723 7.223 616 HG3 ARG 78 2HG ARG 78 -6.400 -3.550 7.045 617 HD2 ARG 78 1HD ARG 78 -6.419 -1.429 8.116 618 HD3 ARG 78 2HD ARG 78 -8.178 -1.340 8.051 619 HE ARG 78 HE ARG 78 -7.432 -3.610 9.523 620 HH11 ARG 78 1HH1 ARG 78 -7.380 -0.136 9.746 621 HH12 ARG 78 2HH1 ARG 78 -7.468 -0.116 11.477 622 HH21 ARG 78 1HH2 ARG 78 -7.550 -3.596 11.801 623 HH22 ARG 78 2HH2 ARG 78 -7.564 -2.084 12.645 624 H ALA 79 H ALA 79 -9.037 -2.583 3.011 625 HA ALA 79 HA ALA 79 -8.121 -0.439 1.615 626 HB1 ALA 79 3HB ALA 79 -9.958 -2.650 1.011 627 HB2 ALA 79 1HB ALA 79 -10.087 -1.256 -0.062 628 HB3 ALA 79 2HB ALA 79 -8.539 -2.079 0.136 629 H GLU 80 H GLU 80 -11.500 -0.952 2.609 630 HA GLU 80 HA GLU 80 -12.497 1.447 1.514 631 HB2 GLU 80 1HB GLU 80 -14.498 0.992 2.674 632 HB3 GLU 80 2HB GLU 80 -13.819 -0.585 2.298 633 HG2 GLU 80 1HG GLU 80 -14.397 -0.920 4.467 634 HG3 GLU 80 2HG GLU 80 -12.752 -0.327 4.688 635 H ILE 81 H ILE 81 -11.075 0.667 4.631 636 HA ILE 81 HA ILE 81 -11.731 3.104 5.920 637 HB ILE 81 HB ILE 81 -9.458 1.204 6.507 638 HG12 ILE 81 1HG1 ILE 81 -12.220 1.389 7.732 639 HG13 ILE 81 2HG1 ILE 81 -11.700 0.155 6.590 640 HG21 ILE 81 1HG2 ILE 81 -9.963 3.763 7.528 641 HG22 ILE 81 2HG2 ILE 81 -10.483 2.633 8.777 642 HG23 ILE 81 3HG2 ILE 81 -8.835 2.560 8.152 643 HD11 ILE 81 3HD1 ILE 81 -10.148 -0.740 8.161 644 HD12 ILE 81 1HD1 ILE 81 -10.424 0.600 9.274 645 HD13 ILE 81 2HD1 ILE 81 -11.708 -0.568 8.965 646 H LEU 82 H LEU 82 -8.993 2.049 3.975 647 HA LEU 82 HA LEU 82 -7.364 4.321 4.481 648 HB2 LEU 82 1HB LEU 82 -7.348 2.379 2.176 649 HB3 LEU 82 2HB LEU 82 -6.085 3.562 2.514 650 HG LEU 82 HG LEU 82 -6.826 1.408 4.477 651 HD11 LEU 82 1HD1 LEU 82 -6.087 0.609 2.120 652 HD12 LEU 82 2HD1 LEU 82 -5.321 -0.077 3.553 653 HD13 LEU 82 3HD1 LEU 82 -4.494 1.173 2.624 654 HD21 LEU 82 3HD2 LEU 82 -5.098 2.150 5.699 655 HD22 LEU 82 1HD2 LEU 82 -5.289 3.634 4.765 656 HD23 LEU 82 2HD2 LEU 82 -4.088 2.437 4.281 657 H LYS 83 H LYS 83 -9.441 3.420 1.736 658 HA LYS 83 HA LYS 83 -9.074 5.547 0.068 659 HB2 LYS 83 1HB LYS 83 -11.649 4.120 0.743 660 HB3 LYS 83 2HB LYS 83 -11.482 5.245 -0.599 661 HG2 LYS 83 1HG LYS 83 -9.958 3.825 -1.720 662 HG3 LYS 83 2HG LYS 83 -9.768 2.795 -0.299 663 HD2 LYS 83 1HD LYS 83 -12.176 2.192 -0.492 664 HD3 LYS 83 2HD LYS 83 -12.242 3.109 -1.998 665 HE2 LYS 83 1HE LYS 83 -10.236 1.603 -2.686 666 HE3 LYS 83 2HE LYS 83 -10.811 0.554 -1.392 667 HZ1 LYS 83 3HZ LYS 83 -12.621 -0.041 -2.560 668 HZ2 LYS 83 1HZ LYS 83 -11.690 0.418 -3.896 669 HZ3 LYS 83 2HZ LYS 83 -12.832 1.487 -3.254 670 H LYS 84 H LYS 84 -11.485 5.415 2.692 671 HA LYS 84 HA LYS 84 -12.656 7.839 2.543 672 HB2 LYS 84 1HB LYS 84 -12.989 6.078 4.328 673 HB3 LYS 84 2HB LYS 84 -11.594 6.759 5.155 674 HG2 LYS 84 1HG LYS 84 -13.538 7.666 6.165 675 HG3 LYS 84 2HG LYS 84 -12.797 8.950 5.205 676 HD2 LYS 84 1HD LYS 84 -14.459 8.884 3.596 677 HD3 LYS 84 2HD LYS 84 -14.927 7.230 3.999 678 HE2 LYS 84 1HE LYS 84 -15.291 9.436 5.989 679 HE3 LYS 84 2HE LYS 84 -16.464 9.205 4.695 680 HZ1 LYS 84 3HZ LYS 84 -16.262 7.811 7.108 681 HZ2 LYS 84 1HZ LYS 84 -15.933 6.716 5.860 682 HZ3 LYS 84 2HZ LYS 84 -17.384 7.585 5.862 683 H GLU 85 H GLU 85 -9.462 7.223 3.966 684 HA GLU 85 HA GLU 85 -8.983 9.943 4.659 685 HB2 GLU 85 1HB GLU 85 -7.188 7.538 4.390 686 HB3 GLU 85 2HB GLU 85 -6.567 9.125 4.821 687 HG2 GLU 85 1HG GLU 85 -8.815 7.941 6.383 688 HG3 GLU 85 2HG GLU 85 -7.160 7.408 6.674 689 H ARG 86 H ARG 86 -8.111 7.913 1.900 690 HA ARG 86 HA ARG 86 -6.328 9.540 0.582 691 HB2 ARG 86 1HB ARG 86 -6.832 7.326 -0.234 692 HB3 ARG 86 2HB ARG 86 -8.499 7.780 -0.564 693 HG2 ARG 86 1HG ARG 86 -7.939 8.990 -2.444 694 HG3 ARG 86 2HG ARG 86 -6.274 9.237 -1.916 695 HD2 ARG 86 1HD ARG 86 -5.621 7.108 -2.557 696 HD3 ARG 86 2HD ARG 86 -7.266 6.479 -2.503 697 HE ARG 86 HE ARG 86 -5.976 7.767 -4.720 698 HH11 ARG 86 1HH1 ARG 86 -9.037 7.054 -3.222 699 HH12 ARG 86 2HH1 ARG 86 -9.937 7.183 -4.696 700 HH21 ARG 86 1HH2 ARG 86 -7.150 7.940 -6.668 701 HH22 ARG 86 2HH2 ARG 86 -8.863 7.686 -6.656 702 H SER 87 H SER 87 -9.847 9.475 -0.018 703 HA SER 87 HA SER 87 -9.864 11.775 -1.645 704 HB2 SER 87 1HB SER 87 -12.054 10.411 -0.072 705 HB3 SER 87 2HB SER 87 -12.349 11.775 -1.151 706 HG SER 87 HG SER 87 -11.123 9.334 -1.926 707 H GLU 88 H GLU 88 -10.543 13.898 -1.212 708 HA GLU 88 HA GLU 88 -10.550 14.677 1.624 709 HB2 GLU 88 1HB GLU 88 -9.040 15.987 -0.638 710 HB3 GLU 88 2HB GLU 88 -9.306 16.754 0.921 711 HG2 GLU 88 1HG GLU 88 -8.202 14.671 1.918 712 HG3 GLU 88 2HG GLU 88 -7.653 14.344 0.275 713 H SER 89 H SER 89 -11.078 16.041 -1.632 714 HA SER 89 HA SER 89 -13.505 17.342 -0.580 715 HB2 SER 89 1HB SER 89 -11.419 18.272 -2.512 716 HB3 SER 89 2HB SER 89 -13.072 18.854 -2.702 717 HG SER 89 HG SER 89 -12.774 19.256 -0.268 718 H GLY 90 H GLY 90 -13.499 14.674 -1.523 719 HA2 GLY 90 1HA GLY 90 -14.956 13.392 -2.779 720 HA3 GLY 90 2HA GLY 90 -15.578 14.872 -3.493 721 HA PRO 91 HA PRO 91 -12.347 12.520 -6.217 722 HB2 PRO 91 1HB PRO 91 -13.845 10.567 -7.362 723 HB3 PRO 91 2HB PRO 91 -12.908 10.317 -5.884 724 HG2 PRO 91 1HG PRO 91 -15.831 10.877 -6.200 725 HG3 PRO 91 2HG PRO 91 -15.023 9.719 -5.127 726 HD2 PRO 91 1HD PRO 91 -15.926 12.121 -4.262 727 HD3 PRO 91 2HD PRO 91 -14.489 11.337 -3.575 728 H SER 92 H SER 92 -12.609 12.162 -8.665 729 HA SER 92 HA SER 92 -14.201 14.373 -9.688 730 HB2 SER 92 1HB SER 92 -11.785 14.064 -10.318 731 HB3 SER 92 2HB SER 92 -12.257 12.610 -11.197 732 HG SER 92 HG SER 92 -13.421 13.837 -12.606 733 H SER 93 H SER 93 -16.265 13.337 -9.413 734 HA SER 93 HA SER 93 -16.919 10.914 -10.753 735 HB2 SER 93 1HB SER 93 -18.138 12.042 -8.772 736 HB3 SER 93 2HB SER 93 -18.932 13.023 -10.004 737 HG SER 93 HG SER 93 -20.165 11.387 -10.438 738 H GLY 94 H GLY 94 -17.037 10.658 -12.877 739 HA2 GLY 94 1HA GLY 94 -18.248 12.809 -14.483 740 HA3 GLY 94 2HA GLY 94 -16.714 12.111 -14.977 Start of MODEL 2 1 H1 GLY 1 H GLY 1 5.166 2.953 16.831 2 HA2 GLY 1 1HA GLY 1 6.205 4.964 16.248 3 HA3 GLY 1 2HA GLY 1 4.651 5.775 16.368 4 H SER 2 H SER 2 7.595 5.805 17.642 5 HA SER 2 HA SER 2 7.419 5.628 20.381 6 HB2 SER 2 1HB SER 2 9.431 6.250 18.836 7 HB3 SER 2 2HB SER 2 8.920 7.911 19.135 8 HG SER 2 HG SER 2 8.941 7.038 21.473 9 H SER 3 H SER 3 5.761 6.393 21.537 10 HA SER 3 HA SER 3 4.035 7.796 22.172 11 HB2 SER 3 1HB SER 3 4.987 9.943 23.112 12 HB3 SER 3 2HB SER 3 5.776 8.468 23.671 13 HG SER 3 HG SER 3 6.801 9.726 21.397 14 H GLY 4 H GLY 4 4.096 7.712 19.392 15 HA2 GLY 4 1HA GLY 4 3.801 10.515 18.555 16 HA3 GLY 4 2HA GLY 4 3.966 9.139 17.477 17 H SER 5 H SER 5 1.783 10.957 19.507 18 HA SER 5 HA SER 5 -0.506 9.332 19.116 19 HB2 SER 5 1HB SER 5 -0.087 12.175 20.002 20 HB3 SER 5 2HB SER 5 -1.713 11.547 19.734 21 HG SER 5 HG SER 5 -0.818 9.735 21.171 22 H SER 6 H SER 6 -2.306 9.666 17.763 23 HA SER 6 HA SER 6 -3.187 9.870 15.658 24 HB2 SER 6 1HB SER 6 -3.509 12.188 14.949 25 HB3 SER 6 2HB SER 6 -3.740 12.049 16.692 26 HG SER 6 HG SER 6 -1.723 13.316 15.253 27 H GLY 7 H GLY 7 -0.568 8.865 15.590 28 HA2 GLY 7 1HA GLY 7 0.848 10.285 13.483 29 HA3 GLY 7 2HA GLY 7 1.386 8.828 14.302 30 H ILE 8 H ILE 8 -1.573 9.596 12.478 31 HA ILE 8 HA ILE 8 -1.090 7.179 10.875 32 HB ILE 8 HB ILE 8 -3.665 8.699 11.304 33 HG12 ILE 8 1HG1 ILE 8 -4.187 6.326 12.359 34 HG13 ILE 8 2HG1 ILE 8 -2.442 6.291 12.580 35 HG21 ILE 8 1HG2 ILE 8 -3.014 7.166 9.144 36 HG22 ILE 8 2HG2 ILE 8 -3.779 5.989 10.210 37 HG23 ILE 8 3HG2 ILE 8 -4.653 7.444 9.732 38 HD11 ILE 8 3HD1 ILE 8 -3.949 7.178 14.476 39 HD12 ILE 8 1HD1 ILE 8 -2.469 8.048 14.074 40 HD13 ILE 8 2HD1 ILE 8 -4.027 8.646 13.501 41 H VAL 9 H VAL 9 -0.772 7.302 8.736 42 HA VAL 9 HA VAL 9 -1.487 9.745 7.300 43 HB VAL 9 HB VAL 9 0.886 9.981 8.063 44 HG11 VAL 9 1HG1 VAL 9 1.275 7.444 7.706 45 HG12 VAL 9 2HG1 VAL 9 1.617 7.904 6.036 46 HG13 VAL 9 3HG1 VAL 9 2.583 8.572 7.352 47 HG21 VAL 9 3HG2 VAL 9 1.318 11.199 6.230 48 HG22 VAL 9 1HG2 VAL 9 1.196 9.803 5.158 49 HG23 VAL 9 2HG2 VAL 9 -0.263 10.647 5.676 50 H LEU 10 H LEU 10 -1.693 9.481 5.044 51 HA LEU 10 HA LEU 10 -2.856 7.186 4.128 52 HB2 LEU 10 1HB LEU 10 -1.204 9.069 2.453 53 HB3 LEU 10 2HB LEU 10 -2.476 7.994 1.876 54 HG LEU 10 HG LEU 10 -2.921 10.318 3.748 55 HD11 LEU 10 1HD1 LEU 10 -2.849 10.119 0.793 56 HD12 LEU 10 2HD1 LEU 10 -2.460 11.475 1.851 57 HD13 LEU 10 3HD1 LEU 10 -4.143 11.076 1.513 58 HD21 LEU 10 3HD2 LEU 10 -4.635 8.197 2.594 59 HD22 LEU 10 1HD2 LEU 10 -5.302 9.829 2.651 60 HD23 LEU 10 2HD2 LEU 10 -4.759 9.046 4.135 61 H LEU 11 H LEU 11 0.555 7.925 4.315 62 HA LEU 11 HA LEU 11 1.450 5.780 2.673 63 HB2 LEU 11 1HB LEU 11 2.710 7.894 3.379 64 HB3 LEU 11 2HB LEU 11 3.039 7.041 4.886 65 HG LEU 11 HG LEU 11 3.786 5.812 2.260 66 HD11 LEU 11 1HD1 LEU 11 4.765 8.298 3.175 67 HD12 LEU 11 2HD1 LEU 11 5.353 7.317 1.834 68 HD13 LEU 11 3HD1 LEU 11 6.030 7.100 3.447 69 HD21 LEU 11 3HD2 LEU 11 4.257 4.230 3.794 70 HD22 LEU 11 1HD2 LEU 11 4.338 5.388 5.122 71 HD23 LEU 11 2HD2 LEU 11 5.715 5.194 4.038 72 H ARG 12 H ARG 12 0.773 6.138 6.101 73 HA ARG 12 HA ARG 12 1.989 3.987 7.236 74 HB2 ARG 12 1HB ARG 12 0.403 5.679 8.308 75 HB3 ARG 12 2HB ARG 12 -0.903 4.619 7.794 76 HG2 ARG 12 1HG ARG 12 0.424 2.783 9.048 77 HG3 ARG 12 2HG ARG 12 1.222 4.145 9.837 78 HD2 ARG 12 1HD ARG 12 -0.672 4.790 10.942 79 HD3 ARG 12 2HD ARG 12 -1.745 4.161 9.692 80 HE ARG 12 HE ARG 12 -0.384 2.058 11.028 81 HH11 ARG 12 1HH1 ARG 12 -2.998 4.330 11.382 82 HH12 ARG 12 2HH1 ARG 12 -3.893 3.330 12.478 83 HH21 ARG 12 1HH2 ARG 12 -1.552 0.731 12.470 84 HH22 ARG 12 2HH2 ARG 12 -3.069 1.284 13.098 85 H GLY 13 H GLY 13 -0.502 3.932 4.852 86 HA2 GLY 13 1HA GLY 13 -1.758 1.515 5.228 87 HA3 GLY 13 2HA GLY 13 -1.382 2.183 3.646 88 H LEU 14 H LEU 14 1.524 2.079 4.168 89 HA LEU 14 HA LEU 14 1.987 -0.543 3.160 90 HB2 LEU 14 1HB LEU 14 3.972 1.485 4.176 91 HB3 LEU 14 2HB LEU 14 4.341 0.072 3.189 92 HG LEU 14 HG LEU 14 2.634 2.385 2.277 93 HD11 LEU 14 1HD1 LEU 14 5.043 2.257 0.837 94 HD12 LEU 14 2HD1 LEU 14 5.474 2.184 2.546 95 HD13 LEU 14 3HD1 LEU 14 4.504 3.525 1.939 96 HD21 LEU 14 3HD2 LEU 14 2.288 0.118 1.228 97 HD22 LEU 14 1HD2 LEU 14 3.947 0.230 0.640 98 HD23 LEU 14 2HD2 LEU 14 2.747 1.413 0.122 99 H GLU 15 H GLU 15 2.832 1.064 6.221 100 HA GLU 15 HA GLU 15 3.973 -1.268 7.385 101 HB2 GLU 15 1HB GLU 15 3.035 1.356 8.532 102 HB3 GLU 15 2HB GLU 15 3.694 0.076 9.540 103 HG2 GLU 15 1HG GLU 15 5.801 0.186 8.417 104 HG3 GLU 15 2HG GLU 15 5.157 1.308 7.219 105 H CYS 16 H CYS 16 0.754 0.037 7.201 106 HA CYS 16 HA CYS 16 -0.508 -1.172 9.333 107 HB2 CYS 16 1HB CYS 16 -1.368 -0.327 6.612 108 HB3 CYS 16 2HB CYS 16 -2.462 -1.363 7.519 109 HG CYS 16 HG CYS 16 -1.235 1.430 9.010 110 H ILE 17 H ILE 17 -0.223 -2.516 6.039 111 HA ILE 17 HA ILE 17 -1.259 -5.055 6.739 112 HB ILE 17 HB ILE 17 -0.249 -5.806 4.566 113 HG12 ILE 17 1HG1 ILE 17 0.471 -2.899 4.192 114 HG13 ILE 17 2HG1 ILE 17 1.643 -4.101 4.724 115 HG21 ILE 17 1HG2 ILE 17 -2.528 -4.690 4.905 116 HG22 ILE 17 2HG2 ILE 17 -1.785 -3.256 4.198 117 HG23 ILE 17 3HG2 ILE 17 -1.880 -4.749 3.265 118 HD11 ILE 17 3HD1 ILE 17 0.632 -3.537 2.073 119 HD12 ILE 17 1HD1 ILE 17 2.068 -4.429 2.573 120 HD13 ILE 17 2HD1 ILE 17 0.508 -5.245 2.489 121 H ASN 18 H ASN 18 -0.173 -7.062 6.922 122 HA ASN 18 HA ASN 18 2.189 -6.963 8.499 123 HB2 ASN 18 1HB ASN 18 0.446 -8.694 8.784 124 HB3 ASN 18 2HB ASN 18 0.863 -9.357 7.206 125 HD21 ASN 18 1HD2 ASN 18 1.943 -8.869 10.487 126 HD22 ASN 18 2HD2 ASN 18 3.186 -10.071 10.463 127 H LYS 19 H LYS 19 4.228 -7.964 8.038 128 HA LYS 19 HA LYS 19 5.451 -7.148 5.708 129 HB2 LYS 19 1HB LYS 19 6.136 -9.198 7.776 130 HB3 LYS 19 2HB LYS 19 7.124 -9.088 6.325 131 HG2 LYS 19 1HG LYS 19 6.544 -6.685 8.020 132 HG3 LYS 19 2HG LYS 19 7.881 -7.781 8.375 133 HD2 LYS 19 1HD LYS 19 7.602 -6.735 5.602 134 HD3 LYS 19 2HD LYS 19 8.209 -5.647 6.852 135 HE2 LYS 19 1HE LYS 19 10.143 -6.609 5.985 136 HE3 LYS 19 2HE LYS 19 9.827 -7.561 7.434 137 HZ1 LYS 19 3HZ LYS 19 10.406 -8.828 5.344 138 HZ2 LYS 19 1HZ LYS 19 8.876 -8.403 4.762 139 HZ3 LYS 19 2HZ LYS 19 9.017 -9.337 6.164 140 H HIS 20 H HIS 20 3.815 -10.182 6.389 141 HA HIS 20 HA HIS 20 4.655 -11.721 4.246 142 HB2 HIS 20 1HB HIS 20 3.323 -12.781 5.886 143 HB3 HIS 20 2HB HIS 20 2.027 -11.600 5.715 144 HD1 HIS 20 HD1 HIS 20 3.070 -14.889 4.595 145 HD2 HIS 20 HD2 HIS 20 0.620 -11.862 3.148 146 HE1 HIS 20 HE1 HIS 20 1.635 -15.970 2.835 147 HE2 HIS 20 HE2 HIS 20 0.221 -14.099 1.914 148 H TYR 21 H TYR 21 1.764 -9.633 4.373 149 HA TYR 21 HA TYR 21 1.148 -9.937 1.625 150 HB2 TYR 21 1HB TYR 21 0.254 -8.074 3.795 151 HB3 TYR 21 2HB TYR 21 -0.198 -7.743 2.126 152 HD1 TYR 21 HD1 TYR 21 -0.920 -10.179 0.932 153 HD2 TYR 21 HD2 TYR 21 -1.476 -9.011 4.985 154 HE1 TYR 21 HE1 TYR 21 -2.798 -11.756 1.122 155 HE2 TYR 21 HE2 TYR 21 -3.354 -10.586 5.188 156 HH TYR 21 HH TYR 21 -4.160 -12.828 2.605 157 H PHE 22 H PHE 22 3.076 -7.629 3.434 158 HA PHE 22 HA PHE 22 3.378 -5.591 1.605 159 HB2 PHE 22 1HB PHE 22 4.315 -5.585 3.902 160 HB3 PHE 22 2HB PHE 22 5.552 -6.723 3.380 161 HD1 PHE 22 HD1 PHE 22 4.168 -3.594 1.891 162 HD2 PHE 22 HD2 PHE 22 7.595 -5.687 3.302 163 HE1 PHE 22 HE1 PHE 22 5.598 -1.714 1.199 164 HE2 PHE 22 HE2 PHE 22 9.029 -3.811 2.612 165 HZ PHE 22 HZ PHE 22 8.031 -1.821 1.561 166 H SER 23 H SER 23 5.065 -8.692 1.736 167 HA SER 23 HA SER 23 6.999 -8.267 -0.202 168 HB2 SER 23 1HB SER 23 6.593 -10.326 1.312 169 HB3 SER 23 2HB SER 23 5.538 -10.891 0.017 170 HG SER 23 HG SER 23 7.283 -10.877 -1.379 171 H LEU 24 H LEU 24 3.660 -9.400 -0.613 172 HA LEU 24 HA LEU 24 3.740 -9.807 -3.379 173 HB2 LEU 24 1HB LEU 24 1.507 -9.110 -1.496 174 HB3 LEU 24 2HB LEU 24 1.232 -9.362 -3.219 175 HG LEU 24 HG LEU 24 2.478 -11.654 -2.678 176 HD11 LEU 24 1HD1 LEU 24 2.836 -11.089 -0.317 177 HD12 LEU 24 2HD1 LEU 24 1.817 -12.515 -0.509 178 HD13 LEU 24 3HD1 LEU 24 1.092 -10.963 -0.090 179 HD21 LEU 24 3HD2 LEU 24 0.421 -12.667 -2.875 180 HD22 LEU 24 1HD2 LEU 24 0.078 -11.061 -3.519 181 HD23 LEU 24 2HD2 LEU 24 -0.390 -11.467 -1.867 182 H PHE 25 H PHE 25 2.737 -6.941 -1.526 183 HA PHE 25 HA PHE 25 1.975 -5.286 -3.590 184 HB2 PHE 25 1HB PHE 25 1.893 -4.827 -1.085 185 HB3 PHE 25 2HB PHE 25 3.572 -4.316 -1.222 186 HD1 PHE 25 HD1 PHE 25 0.553 -3.740 -3.336 187 HD2 PHE 25 HD2 PHE 25 3.716 -2.034 -1.056 188 HE1 PHE 25 HE1 PHE 25 -0.190 -1.490 -3.996 189 HE2 PHE 25 HE2 PHE 25 2.976 0.219 -1.712 190 HZ PHE 25 HZ PHE 25 1.021 0.493 -3.182 191 H LYS 26 H LYS 26 5.243 -5.788 -2.303 192 HA LYS 26 HA LYS 26 6.567 -3.935 -3.938 193 HB2 LYS 26 1HB LYS 26 7.382 -6.333 -2.368 194 HB3 LYS 26 2HB LYS 26 8.524 -5.695 -3.544 195 HG2 LYS 26 1HG LYS 26 8.480 -3.531 -2.451 196 HG3 LYS 26 2HG LYS 26 7.274 -4.116 -1.303 197 HD2 LYS 26 1HD LYS 26 10.004 -5.351 -1.625 198 HD3 LYS 26 2HD LYS 26 9.638 -4.084 -0.450 199 HE2 LYS 26 1HE LYS 26 7.926 -5.531 0.553 200 HE3 LYS 26 2HE LYS 26 8.325 -6.796 -0.608 201 HZ1 LYS 26 3HZ LYS 26 9.794 -7.495 0.883 202 HZ2 LYS 26 1HZ LYS 26 9.634 -6.101 1.828 203 HZ3 LYS 26 2HZ LYS 26 10.718 -6.123 0.531 204 H SER 27 H SER 27 5.339 -7.103 -4.592 205 HA SER 27 HA SER 27 6.927 -7.601 -6.919 206 HB2 SER 27 1HB SER 27 5.609 -9.283 -5.407 207 HB3 SER 27 2HB SER 27 4.254 -8.884 -6.463 208 HG SER 27 HG SER 27 5.432 -10.687 -7.231 209 H LEU 28 H LEU 28 3.698 -6.301 -6.320 210 HA LEU 28 HA LEU 28 3.026 -6.066 -9.091 211 HB2 LEU 28 1HB LEU 28 1.791 -4.616 -6.758 212 HB3 LEU 28 2HB LEU 28 1.072 -4.892 -8.343 213 HG LEU 28 HG LEU 28 1.791 -7.214 -6.598 214 HD11 LEU 28 1HD1 LEU 28 -0.396 -5.259 -6.184 215 HD12 LEU 28 2HD1 LEU 28 0.478 -6.250 -5.017 216 HD13 LEU 28 3HD1 LEU 28 -0.787 -6.970 -6.013 217 HD21 LEU 28 3HD2 LEU 28 -0.608 -7.636 -7.917 218 HD22 LEU 28 1HD2 LEU 28 0.976 -8.247 -8.394 219 HD23 LEU 28 2HD2 LEU 28 0.371 -6.739 -9.079 220 H LEU 29 H LEU 29 4.703 -4.104 -6.785 221 HA LEU 29 HA LEU 29 4.551 -1.741 -8.494 222 HB2 LEU 29 1HB LEU 29 5.458 -2.276 -5.704 223 HB3 LEU 29 2HB LEU 29 6.082 -0.862 -6.551 224 HG LEU 29 HG LEU 29 4.266 -0.111 -5.246 225 HD11 LEU 29 1HD1 LEU 29 2.710 -0.391 -7.724 226 HD12 LEU 29 2HD1 LEU 29 4.336 0.260 -7.920 227 HD13 LEU 29 3HD1 LEU 29 3.192 1.056 -6.839 228 HD21 LEU 29 3HD2 LEU 29 1.965 -1.378 -6.012 229 HD22 LEU 29 1HD2 LEU 29 2.861 -1.695 -4.526 230 HD23 LEU 29 2HD2 LEU 29 3.124 -2.706 -5.947 231 H ALA 30 H ALA 30 6.625 -4.378 -7.798 232 HA ALA 30 HA ALA 30 9.171 -3.540 -8.129 233 HB1 ALA 30 3HB ALA 30 9.721 -5.667 -8.970 234 HB2 ALA 30 1HB ALA 30 8.303 -5.921 -7.954 235 HB3 ALA 30 2HB ALA 30 8.134 -5.876 -9.710 236 H ARG 31 H ARG 31 6.744 -3.810 -10.679 237 HA ARG 31 HA ARG 31 8.519 -3.190 -12.816 238 HB2 ARG 31 1HB ARG 31 6.176 -2.556 -13.896 239 HB3 ARG 31 2HB ARG 31 6.661 -4.228 -13.650 240 HG2 ARG 31 1HG ARG 31 5.184 -2.873 -11.462 241 HG3 ARG 31 2HG ARG 31 4.292 -3.338 -12.911 242 HD2 ARG 31 1HD ARG 31 6.103 -5.325 -11.626 243 HD3 ARG 31 2HD ARG 31 4.541 -4.991 -10.882 244 HE ARG 31 HE ARG 31 5.009 -6.533 -13.212 245 HH11 ARG 31 1HH1 ARG 31 2.764 -4.274 -11.810 246 HH12 ARG 31 2HH1 ARG 31 1.403 -4.871 -12.702 247 HH21 ARG 31 1HH2 ARG 31 3.227 -7.328 -14.394 248 HH22 ARG 31 2HH2 ARG 31 1.669 -6.609 -14.171 249 H ASP 32 H ASP 32 6.113 -1.279 -11.024 250 HA ASP 32 HA ASP 32 6.618 1.147 -12.387 251 HB2 ASP 32 1HB ASP 32 5.547 0.845 -9.578 252 HB3 ASP 32 2HB ASP 32 5.297 2.201 -10.675 253 H LEU 33 H LEU 33 7.476 0.263 -9.037 254 HA LEU 33 HA LEU 33 9.314 2.402 -8.746 255 HB2 LEU 33 1HB LEU 33 9.147 -0.153 -7.156 256 HB3 LEU 33 2HB LEU 33 9.949 1.338 -6.663 257 HG LEU 33 HG LEU 33 6.977 1.046 -7.098 258 HD11 LEU 33 1HD1 LEU 33 6.730 0.955 -4.738 259 HD12 LEU 33 2HD1 LEU 33 8.450 1.248 -4.481 260 HD13 LEU 33 3HD1 LEU 33 7.912 -0.278 -5.181 261 HD21 LEU 33 3HD2 LEU 33 6.880 3.256 -6.946 262 HD22 LEU 33 1HD2 LEU 33 8.643 3.318 -6.948 263 HD23 LEU 33 2HD2 LEU 33 7.766 3.219 -5.421 264 H ASN 34 H ASN 34 9.535 -0.359 -10.551 265 HA ASN 34 HA ASN 34 11.232 -1.521 -11.529 266 HB2 ASN 34 1HB ASN 34 12.532 1.160 -11.053 267 HB3 ASN 34 2HB ASN 34 13.347 -0.138 -11.920 268 HD21 ASN 34 1HD2 ASN 34 11.146 2.419 -12.113 269 HD22 ASN 34 2HD2 ASN 34 10.624 2.169 -13.741 270 H LEU 35 H LEU 35 10.916 -2.302 -8.969 271 HA LEU 35 HA LEU 35 13.324 -2.148 -7.437 272 HB2 LEU 35 1HB LEU 35 11.179 -4.229 -7.139 273 HB3 LEU 35 2HB LEU 35 12.276 -3.608 -5.908 274 HG LEU 35 HG LEU 35 10.207 -1.850 -7.188 275 HD11 LEU 35 1HD1 LEU 35 9.548 -4.137 -5.811 276 HD12 LEU 35 2HD1 LEU 35 8.526 -2.714 -6.008 277 HD13 LEU 35 3HD1 LEU 35 9.519 -2.892 -4.562 278 HD21 LEU 35 3HD2 LEU 35 11.373 -1.723 -4.423 279 HD22 LEU 35 1HD2 LEU 35 10.539 -0.460 -5.326 280 HD23 LEU 35 2HD2 LEU 35 12.158 -0.966 -5.809 281 H GLU 36 H GLU 36 14.379 -4.267 -6.686 282 HA GLU 36 HA GLU 36 15.188 -5.718 -9.090 283 HB2 GLU 36 1HB GLU 36 16.415 -5.293 -6.388 284 HB3 GLU 36 2HB GLU 36 16.948 -6.634 -7.392 285 HG2 GLU 36 1HG GLU 36 17.848 -5.247 -9.004 286 HG3 GLU 36 2HG GLU 36 16.864 -3.870 -8.514 287 H ARG 37 H ARG 37 13.730 -7.313 -9.456 288 HA ARG 37 HA ARG 37 12.182 -8.759 -7.784 289 HB2 ARG 37 1HB ARG 37 13.712 -9.893 -10.133 290 HB3 ARG 37 2HB ARG 37 12.287 -10.614 -9.398 291 HG2 ARG 37 1HG ARG 37 12.210 -7.839 -10.517 292 HG3 ARG 37 2HG ARG 37 12.003 -9.253 -11.552 293 HD2 ARG 37 1HD ARG 37 10.370 -8.825 -9.066 294 HD3 ARG 37 2HD ARG 37 9.892 -8.168 -10.630 295 HE ARG 37 HE ARG 37 9.665 -10.877 -9.767 296 HH11 ARG 37 1HH1 ARG 37 10.165 -8.854 -12.556 297 HH12 ARG 37 2HH1 ARG 37 9.524 -10.012 -13.673 298 HH21 ARG 37 1HH2 ARG 37 8.820 -12.411 -11.229 299 HH22 ARG 37 2HH2 ARG 37 8.758 -12.035 -12.918 300 H ASP 38 H ASP 38 15.626 -8.958 -8.053 301 HA ASP 38 HA ASP 38 15.751 -11.416 -6.487 302 HB2 ASP 38 1HB ASP 38 17.912 -9.707 -7.736 303 HB3 ASP 38 2HB ASP 38 18.224 -11.167 -6.800 304 H ASN 39 H ASN 39 16.346 -7.974 -6.184 305 HA ASN 39 HA ASN 39 17.065 -8.378 -3.357 306 HB2 ASN 39 1HB ASN 39 18.593 -7.103 -5.108 307 HB3 ASN 39 2HB ASN 39 17.515 -5.763 -4.729 308 HD21 ASN 39 1HD2 ASN 39 19.740 -4.991 -4.033 309 HD22 ASN 39 2HD2 ASN 39 20.155 -5.259 -2.378 310 H GLN 40 H GLN 40 14.403 -8.558 -3.990 311 HA GLN 40 HA GLN 40 13.159 -5.975 -3.547 312 HB2 GLN 40 1HB GLN 40 12.218 -8.710 -4.239 313 HB3 GLN 40 2HB GLN 40 11.088 -7.658 -3.397 314 HG2 GLN 40 1HG GLN 40 11.518 -5.939 -5.172 315 HG3 GLN 40 2HG GLN 40 12.415 -7.179 -6.049 316 HE21 GLN 40 1HE2 GLN 40 10.976 -7.104 -7.775 317 HE22 GLN 40 2HE2 GLN 40 9.393 -7.788 -7.680 318 H GLU 41 H GLU 41 14.199 -8.689 -1.710 319 HA GLU 41 HA GLU 41 12.457 -8.297 0.524 320 HB2 GLU 41 1HB GLU 41 13.418 -10.479 0.160 321 HB3 GLU 41 2HB GLU 41 15.046 -9.821 0.229 322 HG2 GLU 41 1HG GLU 41 14.629 -9.191 2.594 323 HG3 GLU 41 2HG GLU 41 13.077 -10.021 2.494 324 H GLN 42 H GLN 42 15.864 -7.516 -0.126 325 HA GLN 42 HA GLN 42 16.624 -6.412 2.252 326 HB2 GLN 42 1HB GLN 42 18.292 -5.206 1.079 327 HB3 GLN 42 2HB GLN 42 18.007 -6.668 0.146 328 HG2 GLN 42 1HG GLN 42 16.989 -5.540 -1.575 329 HG3 GLN 42 2HG GLN 42 16.520 -4.185 -0.550 330 HE21 GLN 42 1HE2 GLN 42 17.441 -3.154 -2.591 331 HE22 GLN 42 2HE2 GLN 42 19.117 -2.737 -2.538 332 H TYR 43 H TYR 43 14.422 -5.088 -0.096 333 HA TYR 43 HA TYR 43 14.422 -2.427 0.953 334 HB2 TYR 43 1HB TYR 43 12.484 -3.871 -0.861 335 HB3 TYR 43 2HB TYR 43 12.368 -2.161 -0.456 336 HD1 TYR 43 HD1 TYR 43 15.139 -1.265 -0.600 337 HD2 TYR 43 HD2 TYR 43 13.035 -3.979 -3.113 338 HE1 TYR 43 HE1 TYR 43 16.663 -0.721 -2.454 339 HE2 TYR 43 HE2 TYR 43 14.553 -3.443 -4.972 340 HH TYR 43 HH TYR 43 17.422 -1.549 -4.517 341 H THR 44 H THR 44 12.786 -1.407 2.161 342 HA THR 44 HA THR 44 10.961 -3.206 3.609 343 HB THR 44 HB THR 44 11.380 -2.054 5.695 344 HG1 THR 44 HG1 THR 44 12.908 -0.373 4.038 345 HG21 THR 44 3HG2 THR 44 14.163 -2.550 4.779 346 HG22 THR 44 1HG2 THR 44 13.011 -3.879 4.658 347 HG23 THR 44 2HG2 THR 44 13.328 -3.126 6.222 348 H THR 45 H THR 45 9.211 -1.983 4.757 349 HA THR 45 HA THR 45 7.614 -0.568 3.069 350 HB THR 45 HB THR 45 6.428 0.325 5.049 351 HG1 THR 45 HG1 THR 45 7.327 -0.324 7.131 352 HG21 THR 45 3HG2 THR 45 7.029 -2.387 5.988 353 HG22 THR 45 1HG2 THR 45 6.656 -2.284 4.268 354 HG23 THR 45 2HG2 THR 45 5.501 -1.683 5.459 355 H ILE 46 H ILE 46 10.360 0.615 4.810 356 HA ILE 46 HA ILE 46 9.715 3.393 4.619 357 HB ILE 46 HB ILE 46 12.292 1.944 5.198 358 HG12 ILE 46 1HG1 ILE 46 10.632 1.854 6.974 359 HG13 ILE 46 2HG1 ILE 46 11.952 2.916 7.452 360 HG21 ILE 46 1HG2 ILE 46 11.794 4.914 5.097 361 HG22 ILE 46 2HG2 ILE 46 13.221 4.160 5.806 362 HG23 ILE 46 3HG2 ILE 46 12.898 3.987 4.080 363 HD11 ILE 46 3HD1 ILE 46 9.141 3.475 7.188 364 HD12 ILE 46 1HD1 ILE 46 10.415 4.425 7.954 365 HD13 ILE 46 2HD1 ILE 46 10.109 4.590 6.224 366 H GLN 47 H GLN 47 12.427 1.641 3.106 367 HA GLN 47 HA GLN 47 13.134 3.476 1.218 368 HB2 GLN 47 1HB GLN 47 13.057 0.487 0.777 369 HB3 GLN 47 2HB GLN 47 14.057 1.640 -0.095 370 HG2 GLN 47 1HG GLN 47 14.306 1.514 2.862 371 HG3 GLN 47 2HG GLN 47 15.006 0.212 1.900 372 HE21 GLN 47 1HE2 GLN 47 16.863 1.338 3.166 373 HE22 GLN 47 2HE2 GLN 47 17.737 2.526 2.265 374 H ILE 48 H ILE 48 10.809 0.823 0.692 375 HA ILE 48 HA ILE 48 10.045 1.493 -1.891 376 HB ILE 48 HB ILE 48 8.308 0.273 0.258 377 HG12 ILE 48 1HG1 ILE 48 10.482 -0.901 -0.203 378 HG13 ILE 48 2HG1 ILE 48 9.049 -1.866 -0.542 379 HG21 ILE 48 1HG2 ILE 48 7.905 0.812 -2.608 380 HG22 ILE 48 2HG2 ILE 48 7.452 -0.803 -2.063 381 HG23 ILE 48 3HG2 ILE 48 6.726 0.618 -1.310 382 HD11 ILE 48 3HD1 ILE 48 10.559 -0.347 -2.648 383 HD12 ILE 48 1HD1 ILE 48 10.878 -2.031 -2.233 384 HD13 ILE 48 2HD1 ILE 48 9.305 -1.565 -2.880 385 H ALA 49 H ALA 49 8.748 2.627 1.202 386 HA ALA 49 HA ALA 49 6.576 4.090 0.249 387 HB1 ALA 49 3HB ALA 49 7.191 5.551 2.374 388 HB2 ALA 49 1HB ALA 49 6.509 3.930 2.519 389 HB3 ALA 49 2HB ALA 49 8.246 4.177 2.701 390 H ASN 50 H ASN 50 9.985 4.842 0.280 391 HA ASN 50 HA ASN 50 9.686 7.633 -0.254 392 HB2 ASN 50 1HB ASN 50 11.958 5.692 -0.241 393 HB3 ASN 50 2HB ASN 50 12.177 7.237 -1.055 394 HD21 ASN 50 1HD2 ASN 50 11.348 5.729 2.006 395 HD22 ASN 50 2HD2 ASN 50 11.846 7.049 3.002 396 H MET 51 H MET 51 10.839 4.941 -2.298 397 HA MET 51 HA MET 51 11.066 6.197 -4.700 398 HB2 MET 51 1HB MET 51 10.115 3.431 -4.015 399 HB3 MET 51 2HB MET 51 10.225 3.955 -5.690 400 HG2 MET 51 1HG MET 51 12.271 3.011 -5.464 401 HG3 MET 51 2HG MET 51 12.657 4.651 -4.944 402 HE1 MET 51 3HE MET 51 12.729 1.206 -4.536 403 HE2 MET 51 1HE MET 51 14.256 1.433 -3.680 404 HE3 MET 51 2HE MET 51 12.861 0.765 -2.832 405 H MET 52 H MET 52 8.072 4.898 -3.302 406 HA MET 52 HA MET 52 6.408 5.587 -5.481 407 HB2 MET 52 1HB MET 52 5.748 5.138 -2.565 408 HB3 MET 52 2HB MET 52 4.547 5.301 -3.840 409 HG2 MET 52 1HG MET 52 5.623 3.332 -4.964 410 HG3 MET 52 2HG MET 52 6.581 3.117 -3.501 411 HE1 MET 52 3HE MET 52 2.627 1.496 -4.480 412 HE2 MET 52 1HE MET 52 2.461 3.252 -4.500 413 HE3 MET 52 2HE MET 52 3.721 2.475 -5.460 414 H GLU 53 H GLU 53 6.907 7.181 -2.330 415 HA GLU 53 HA GLU 53 5.261 9.324 -2.514 416 HB2 GLU 53 1HB GLU 53 7.990 8.984 -1.360 417 HB3 GLU 53 2HB GLU 53 7.317 10.606 -1.432 418 HG2 GLU 53 1HG GLU 53 5.730 8.367 -0.254 419 HG3 GLU 53 2HG GLU 53 6.979 9.176 0.692 420 H GLU 54 H GLU 54 8.119 8.745 -4.406 421 HA GLU 54 HA GLU 54 8.076 11.441 -5.519 422 HB2 GLU 54 1HB GLU 54 9.929 9.120 -6.085 423 HB3 GLU 54 2HB GLU 54 10.110 10.750 -6.720 424 HG2 GLU 54 1HG GLU 54 10.368 9.842 -3.870 425 HG3 GLU 54 2HG GLU 54 11.614 10.532 -4.909 426 H LYS 55 H LYS 55 7.888 8.082 -6.684 427 HA LYS 55 HA LYS 55 7.422 8.504 -9.350 428 HB2 LYS 55 1HB LYS 55 6.417 6.415 -7.445 429 HB3 LYS 55 2HB LYS 55 5.900 6.401 -9.125 430 HG2 LYS 55 1HG LYS 55 8.796 6.440 -8.336 431 HG3 LYS 55 2HG LYS 55 7.879 4.944 -8.525 432 HD2 LYS 55 1HD LYS 55 7.991 7.021 -10.694 433 HD3 LYS 55 2HD LYS 55 9.227 5.770 -10.538 434 HE2 LYS 55 1HE LYS 55 7.794 4.722 -11.975 435 HE3 LYS 55 2HE LYS 55 7.118 4.188 -10.437 436 HZ1 LYS 55 3HZ LYS 55 5.224 5.233 -10.870 437 HZ2 LYS 55 1HZ LYS 55 5.785 5.498 -12.443 438 HZ3 LYS 55 2HZ LYS 55 6.010 6.680 -11.255 439 H PHE 56 H PHE 56 4.827 8.047 -6.940 440 HA PHE 56 HA PHE 56 3.038 9.564 -8.714 441 HB2 PHE 56 1HB PHE 56 1.984 7.999 -6.405 442 HB3 PHE 56 2HB PHE 56 1.265 8.289 -7.985 443 HD1 PHE 56 HD2 PHE 56 1.887 6.926 -9.906 444 HD2 PHE 56 HD1 PHE 56 3.480 6.162 -6.033 445 HE1 PHE 56 HE2 PHE 56 2.628 4.701 -10.652 446 HE2 PHE 56 HE1 PHE 56 4.223 3.937 -6.773 447 HZ PHE 56 HZ PHE 56 3.797 3.203 -9.086 448 HA PRO 57 HA PRO 57 3.835 12.488 -5.255 449 HB2 PRO 57 1HB PRO 57 3.681 14.704 -6.816 450 HB3 PRO 57 2HB PRO 57 5.164 13.760 -6.632 451 HG2 PRO 57 1HG PRO 57 3.147 13.707 -8.844 452 HG3 PRO 57 2HG PRO 57 4.917 13.681 -8.943 453 HD2 PRO 57 1HD PRO 57 3.411 11.446 -9.196 454 HD3 PRO 57 2HD PRO 57 5.036 11.426 -8.480 455 H ALA 58 H ALA 58 1.247 11.620 -7.131 456 HA ALA 58 HA ALA 58 -0.518 13.764 -6.231 457 HB1 ALA 58 3HB ALA 58 -2.108 11.951 -7.542 458 HB2 ALA 58 1HB ALA 58 -1.347 13.369 -8.265 459 HB3 ALA 58 2HB ALA 58 -0.562 11.793 -8.376 460 H ASP 59 H ASP 59 -0.432 10.200 -6.105 461 HA ASP 59 HA ASP 59 -2.186 10.310 -3.750 462 HB2 ASP 59 1HB ASP 59 -2.210 7.715 -4.290 463 HB3 ASP 59 2HB ASP 59 -3.244 8.840 -5.164 464 H SER 60 H SER 60 1.009 9.630 -4.769 465 HA SER 60 HA SER 60 2.885 8.972 -3.663 466 HB2 SER 60 1HB SER 60 1.256 9.330 -1.139 467 HB3 SER 60 2HB SER 60 3.013 9.341 -1.277 468 HG SER 60 HG SER 60 2.830 11.238 -2.529 469 H GLY 61 H GLY 61 0.852 7.023 -4.486 470 HA2 GLY 61 1HA GLY 61 1.033 4.679 -4.475 471 HA3 GLY 61 2HA GLY 61 1.879 4.773 -2.937 472 H LEU 62 H LEU 62 -0.707 6.754 -2.620 473 HA LEU 62 HA LEU 62 -2.042 5.142 -0.772 474 HB2 LEU 62 1HB LEU 62 -2.312 7.488 -0.639 475 HB3 LEU 62 2HB LEU 62 -2.891 7.587 -2.300 476 HG LEU 62 HG LEU 62 -4.966 6.447 -1.626 477 HD11 LEU 62 1HD1 LEU 62 -5.176 6.623 1.054 478 HD12 LEU 62 2HD1 LEU 62 -3.477 6.177 0.900 479 HD13 LEU 62 3HD1 LEU 62 -4.726 5.149 0.197 480 HD21 LEU 62 3HD2 LEU 62 -4.567 8.753 0.242 481 HD22 LEU 62 1HD2 LEU 62 -5.979 8.330 -0.727 482 HD23 LEU 62 2HD2 LEU 62 -4.541 8.992 -1.507 483 H GLY 63 H GLY 63 -3.492 6.274 -3.828 484 HA2 GLY 63 1HA GLY 63 -5.586 4.480 -3.923 485 HA3 GLY 63 2HA GLY 63 -4.846 5.201 -5.344 486 H LYS 64 H LYS 64 -2.287 4.031 -5.117 487 HA LYS 64 HA LYS 64 -2.685 1.611 -6.462 488 HB2 LYS 64 1HB LYS 64 -0.614 3.172 -6.387 489 HB3 LYS 64 2HB LYS 64 -0.145 2.228 -4.979 490 HG2 LYS 64 1HG LYS 64 0.965 1.126 -6.653 491 HG3 LYS 64 2HG LYS 64 -0.532 0.195 -6.565 492 HD2 LYS 64 1HD LYS 64 -1.369 1.869 -8.371 493 HD3 LYS 64 2HD LYS 64 0.350 2.180 -8.625 494 HE2 LYS 64 1HE LYS 64 0.765 -0.006 -9.320 495 HE3 LYS 64 2HE LYS 64 -0.718 -0.619 -8.590 496 HZ1 LYS 64 3HZ LYS 64 -0.419 -0.053 -11.199 497 HZ2 LYS 64 1HZ LYS 64 -1.132 1.374 -10.635 498 HZ3 LYS 64 2HZ LYS 64 -1.907 -0.111 -10.398 499 H LEU 65 H LEU 65 -1.877 2.266 -3.078 500 HA LEU 65 HA LEU 65 -1.540 -0.431 -2.305 501 HB2 LEU 65 1HB LEU 65 -0.730 1.532 -1.027 502 HB3 LEU 65 2HB LEU 65 -2.399 1.904 -0.602 503 HG LEU 65 HG LEU 65 -1.021 0.755 1.173 504 HD11 LEU 65 1HD1 LEU 65 -3.419 -0.869 0.398 505 HD12 LEU 65 2HD1 LEU 65 -3.572 0.800 0.947 506 HD13 LEU 65 3HD1 LEU 65 -2.858 -0.415 2.007 507 HD21 LEU 65 3HD2 LEU 65 -0.151 -1.294 0.887 508 HD22 LEU 65 1HD2 LEU 65 -0.280 -0.927 -0.833 509 HD23 LEU 65 2HD2 LEU 65 -1.541 -1.867 -0.035 510 H ILE 66 H ILE 66 -4.312 1.781 -2.017 511 HA ILE 66 HA ILE 66 -6.129 0.255 -0.698 512 HB ILE 66 HB ILE 66 -6.533 2.087 -3.047 513 HG12 ILE 66 1HG1 ILE 66 -7.589 2.519 -0.284 514 HG13 ILE 66 2HG1 ILE 66 -5.868 2.748 -0.576 515 HG21 ILE 66 1HG2 ILE 66 -8.960 2.021 -2.506 516 HG22 ILE 66 2HG2 ILE 66 -8.340 0.519 -3.188 517 HG23 ILE 66 3HG2 ILE 66 -8.644 0.640 -1.456 518 HD11 ILE 66 3HD1 ILE 66 -7.297 4.094 -2.621 519 HD12 ILE 66 1HD1 ILE 66 -7.994 4.540 -1.063 520 HD13 ILE 66 2HD1 ILE 66 -6.270 4.771 -1.357 521 H GLU 67 H GLU 67 -5.529 0.123 -4.208 522 HA GLU 67 HA GLU 67 -7.361 -1.856 -4.858 523 HB2 GLU 67 1HB GLU 67 -4.681 -1.177 -6.065 524 HB3 GLU 67 2HB GLU 67 -5.763 -2.371 -6.765 525 HG2 GLU 67 1HG GLU 67 -7.515 -0.553 -6.837 526 HG3 GLU 67 2HG GLU 67 -6.220 0.578 -6.448 527 H PHE 68 H PHE 68 -3.900 -2.270 -4.104 528 HA PHE 68 HA PHE 68 -3.627 -4.965 -4.284 529 HB2 PHE 68 1HB PHE 68 -1.749 -3.574 -3.692 530 HB3 PHE 68 2HB PHE 68 -2.500 -3.134 -2.161 531 HD1 PHE 68 HD1 PHE 68 -1.446 -6.190 -4.024 532 HD2 PHE 68 HD2 PHE 68 -1.784 -4.213 -0.270 533 HE1 PHE 68 HE1 PHE 68 -0.312 -8.080 -2.932 534 HE2 PHE 68 HE2 PHE 68 -0.650 -6.100 0.830 535 HZ PHE 68 HZ PHE 68 0.088 -8.036 -0.501 536 H CYS 69 H CYS 69 -5.172 -3.182 -1.670 537 HA CYS 69 HA CYS 69 -5.589 -5.515 -0.046 538 HB2 CYS 69 1HB CYS 69 -6.884 -2.788 0.154 539 HB3 CYS 69 2HB CYS 69 -6.884 -4.033 1.397 540 HG CYS 69 HG CYS 69 -3.820 -3.140 0.394 541 H GLU 70 H GLU 70 -7.491 -3.620 -2.326 542 HA GLU 70 HA GLU 70 -10.021 -4.615 -1.869 543 HB2 GLU 70 1HB GLU 70 -8.640 -3.731 -4.388 544 HB3 GLU 70 2HB GLU 70 -10.303 -4.298 -4.421 545 HG2 GLU 70 1HG GLU 70 -10.588 -2.535 -2.489 546 HG3 GLU 70 2HG GLU 70 -9.163 -1.823 -3.242 547 H GLU 71 H GLU 71 -7.534 -5.963 -4.033 548 HA GLU 71 HA GLU 71 -8.964 -8.149 -4.976 549 HB2 GLU 71 1HB GLU 71 -6.001 -8.105 -4.385 550 HB3 GLU 71 2HB GLU 71 -6.831 -9.138 -5.541 551 HG2 GLU 71 1HG GLU 71 -6.707 -6.139 -5.733 552 HG3 GLU 71 2HG GLU 71 -5.610 -7.240 -6.563 553 H VAL 72 H VAL 72 -6.921 -7.886 -2.086 554 HA VAL 72 HA VAL 72 -7.515 -10.597 -1.275 555 HB VAL 72 HB VAL 72 -6.154 -8.466 0.371 556 HG11 VAL 72 1HG1 VAL 72 -6.950 -11.065 0.972 557 HG12 VAL 72 2HG1 VAL 72 -5.216 -11.178 0.672 558 HG13 VAL 72 3HG1 VAL 72 -5.831 -10.058 1.889 559 HG21 VAL 72 3HG2 VAL 72 -5.049 -8.682 -1.816 560 HG22 VAL 72 1HG2 VAL 72 -4.036 -9.276 -0.500 561 HG23 VAL 72 2HG2 VAL 72 -4.881 -10.416 -1.548 562 HA PRO 73 HA PRO 73 -11.267 -9.392 0.803 563 HB2 PRO 73 1HB PRO 73 -11.814 -11.845 1.831 564 HB3 PRO 73 2HB PRO 73 -12.102 -11.426 0.138 565 HG2 PRO 73 1HG PRO 73 -9.810 -12.915 1.358 566 HG3 PRO 73 2HG PRO 73 -10.706 -13.267 -0.130 567 HD2 PRO 73 1HD PRO 73 -8.289 -12.047 -0.141 568 HD3 PRO 73 2HD PRO 73 -9.539 -11.702 -1.354 569 H ALA 74 H ALA 74 -8.311 -10.247 2.140 570 HA ALA 74 HA ALA 74 -9.284 -10.123 4.902 571 HB1 ALA 74 3HB ALA 74 -7.150 -11.510 3.618 572 HB2 ALA 74 1HB ALA 74 -6.478 -10.437 4.847 573 HB3 ALA 74 2HB ALA 74 -7.702 -11.628 5.289 574 H LEU 75 H LEU 75 -7.689 -8.248 2.500 575 HA LEU 75 HA LEU 75 -6.791 -6.291 4.494 576 HB2 LEU 75 1HB LEU 75 -6.168 -6.575 1.560 577 HB3 LEU 75 2HB LEU 75 -5.598 -5.249 2.571 578 HG LEU 75 HG LEU 75 -4.827 -8.155 2.729 579 HD11 LEU 75 1HD1 LEU 75 -3.460 -7.203 1.147 580 HD12 LEU 75 2HD1 LEU 75 -2.528 -6.920 2.617 581 HD13 LEU 75 3HD1 LEU 75 -3.489 -5.616 1.917 582 HD21 LEU 75 3HD2 LEU 75 -4.796 -6.071 4.794 583 HD22 LEU 75 1HD2 LEU 75 -3.257 -6.898 4.554 584 HD23 LEU 75 2HD2 LEU 75 -4.705 -7.826 4.947 585 H ARG 76 H ARG 76 -9.263 -6.896 2.244 586 HA ARG 76 HA ARG 76 -9.974 -4.456 1.223 587 HB2 ARG 76 1HB ARG 76 -11.506 -6.860 2.072 588 HB3 ARG 76 2HB ARG 76 -12.420 -5.393 1.748 589 HG2 ARG 76 1HG ARG 76 -11.439 -5.288 -0.495 590 HG3 ARG 76 2HG ARG 76 -10.554 -6.779 -0.166 591 HD2 ARG 76 1HD ARG 76 -12.502 -8.064 -0.124 592 HD3 ARG 76 2HD ARG 76 -13.536 -6.656 0.111 593 HE ARG 76 HE ARG 76 -12.223 -6.440 -2.364 594 HH11 ARG 76 1HH1 ARG 76 -14.699 -8.310 -0.786 595 HH12 ARG 76 2HH1 ARG 76 -15.560 -8.650 -2.251 596 HH21 ARG 76 1HH2 ARG 76 -13.347 -6.880 -4.301 597 HH22 ARG 76 2HH2 ARG 76 -14.789 -7.835 -4.250 598 H LYS 77 H LYS 77 -10.387 -5.628 4.504 599 HA LYS 77 HA LYS 77 -12.179 -3.795 5.528 600 HB2 LYS 77 1HB LYS 77 -11.221 -5.740 6.757 601 HB3 LYS 77 2HB LYS 77 -9.722 -4.841 6.945 602 HG2 LYS 77 1HG LYS 77 -10.678 -3.310 8.414 603 HG3 LYS 77 2HG LYS 77 -12.322 -3.727 7.924 604 HD2 LYS 77 1HD LYS 77 -12.215 -4.836 9.922 605 HD3 LYS 77 2HD LYS 77 -11.620 -6.102 8.845 606 HE2 LYS 77 1HE LYS 77 -9.289 -5.114 9.354 607 HE3 LYS 77 2HE LYS 77 -10.085 -4.343 10.724 608 HZ1 LYS 77 3HZ LYS 77 -10.711 -7.128 10.509 609 HZ2 LYS 77 1HZ LYS 77 -10.136 -6.252 11.837 610 HZ3 LYS 77 2HZ LYS 77 -9.051 -6.858 10.689 611 H ARG 78 H ARG 78 -8.631 -3.481 5.403 612 HA ARG 78 HA ARG 78 -8.589 -0.837 6.420 613 HB2 ARG 78 1HB ARG 78 -6.554 -2.394 4.818 614 HB3 ARG 78 2HB ARG 78 -6.245 -0.811 5.517 615 HG2 ARG 78 1HG ARG 78 -7.227 -2.980 7.296 616 HG3 ARG 78 2HG ARG 78 -5.546 -3.013 6.759 617 HD2 ARG 78 1HD ARG 78 -5.178 -0.800 7.661 618 HD3 ARG 78 2HD ARG 78 -6.880 -0.666 8.101 619 HE ARG 78 HE ARG 78 -4.825 -2.012 9.565 620 HH11 ARG 78 1HH1 ARG 78 -8.235 -1.983 8.863 621 HH12 ARG 78 2HH1 ARG 78 -8.679 -2.758 10.347 622 HH21 ARG 78 1HH2 ARG 78 -5.398 -3.035 11.521 623 HH22 ARG 78 2HH2 ARG 78 -7.065 -3.356 11.858 624 H ALA 79 H ALA 79 -8.599 -2.174 3.149 625 HA ALA 79 HA ALA 79 -8.060 0.033 1.622 626 HB1 ALA 79 3HB ALA 79 -10.192 -1.215 0.309 627 HB2 ALA 79 1HB ALA 79 -8.468 -1.508 0.080 628 HB3 ALA 79 2HB ALA 79 -9.385 -2.486 1.227 629 H GLU 80 H GLU 80 -11.302 -0.943 2.754 630 HA GLU 80 HA GLU 80 -12.690 1.266 1.767 631 HB2 GLU 80 1HB GLU 80 -14.385 0.714 3.536 632 HB3 GLU 80 2HB GLU 80 -13.920 -0.638 2.513 633 HG2 GLU 80 1HG GLU 80 -12.629 -1.620 4.211 634 HG3 GLU 80 2HG GLU 80 -12.647 -0.150 5.183 635 H ILE 81 H ILE 81 -10.611 0.961 4.505 636 HA ILE 81 HA ILE 81 -11.576 3.335 5.834 637 HB ILE 81 HB ILE 81 -9.098 1.679 6.325 638 HG12 ILE 81 1HG1 ILE 81 -11.699 1.813 7.863 639 HG13 ILE 81 2HG1 ILE 81 -11.276 0.536 6.728 640 HG21 ILE 81 1HG2 ILE 81 -8.963 4.082 7.049 641 HG22 ILE 81 2HG2 ILE 81 -10.303 3.750 8.143 642 HG23 ILE 81 3HG2 ILE 81 -8.774 2.895 8.339 643 HD11 ILE 81 3HD1 ILE 81 -10.523 0.884 9.498 644 HD12 ILE 81 1HD1 ILE 81 -10.452 -0.550 8.476 645 HD13 ILE 81 2HD1 ILE 81 -9.127 0.614 8.455 646 H LEU 82 H LEU 82 -8.814 2.435 3.818 647 HA LEU 82 HA LEU 82 -7.416 4.872 4.030 648 HB2 LEU 82 1HB LEU 82 -7.424 2.969 1.695 649 HB3 LEU 82 2HB LEU 82 -6.175 4.146 2.096 650 HG LEU 82 HG LEU 82 -6.859 1.841 3.905 651 HD11 LEU 82 1HD1 LEU 82 -5.430 1.829 1.366 652 HD12 LEU 82 2HD1 LEU 82 -6.044 0.487 2.331 653 HD13 LEU 82 3HD1 LEU 82 -4.477 1.202 2.711 654 HD21 LEU 82 3HD2 LEU 82 -5.619 3.339 5.140 655 HD22 LEU 82 1HD2 LEU 82 -4.703 3.899 3.741 656 HD23 LEU 82 2HD2 LEU 82 -4.353 2.323 4.451 657 H LYS 83 H LYS 83 -10.138 3.883 2.111 658 HA LYS 83 HA LYS 83 -9.975 5.999 0.198 659 HB2 LYS 83 1HB LYS 83 -12.255 4.185 1.001 660 HB3 LYS 83 2HB LYS 83 -12.337 5.335 -0.327 661 HG2 LYS 83 1HG LYS 83 -10.815 4.144 -1.618 662 HG3 LYS 83 2HG LYS 83 -10.188 3.253 -0.228 663 HD2 LYS 83 1HD LYS 83 -12.593 2.303 -0.065 664 HD3 LYS 83 2HD LYS 83 -12.750 2.860 -1.733 665 HE2 LYS 83 1HE LYS 83 -11.003 1.447 -2.467 666 HE3 LYS 83 2HE LYS 83 -10.482 1.109 -0.818 667 HZ1 LYS 83 3HZ LYS 83 -12.102 -0.419 -0.522 668 HZ2 LYS 83 1HZ LYS 83 -11.988 -0.551 -2.204 669 HZ3 LYS 83 2HZ LYS 83 -13.218 0.381 -1.509 670 H LYS 84 H LYS 84 -12.120 5.421 2.988 671 HA LYS 84 HA LYS 84 -13.672 7.621 3.018 672 HB2 LYS 84 1HB LYS 84 -13.697 5.868 4.760 673 HB3 LYS 84 2HB LYS 84 -12.219 6.538 5.440 674 HG2 LYS 84 1HG LYS 84 -13.933 7.365 6.792 675 HG3 LYS 84 2HG LYS 84 -13.523 8.706 5.721 676 HD2 LYS 84 1HD LYS 84 -15.415 7.852 4.227 677 HD3 LYS 84 2HD LYS 84 -15.910 6.883 5.616 678 HE2 LYS 84 1HE LYS 84 -17.164 8.749 5.996 679 HE3 LYS 84 2HE LYS 84 -15.695 9.211 6.854 680 HZ1 LYS 84 3HZ LYS 84 -14.981 10.415 4.868 681 HZ2 LYS 84 1HZ LYS 84 -16.454 11.004 5.454 682 HZ3 LYS 84 2HZ LYS 84 -16.426 10.008 4.088 683 H GLU 85 H GLU 85 -10.364 7.522 4.334 684 HA GLU 85 HA GLU 85 -10.271 10.271 4.999 685 HB2 GLU 85 1HB GLU 85 -7.999 8.357 4.438 686 HB3 GLU 85 2HB GLU 85 -7.841 9.928 5.210 687 HG2 GLU 85 1HG GLU 85 -8.943 9.221 7.145 688 HG3 GLU 85 2HG GLU 85 -9.609 7.796 6.348 689 H ARG 86 H ARG 86 -9.175 8.445 2.170 690 HA ARG 86 HA ARG 86 -7.844 10.448 0.802 691 HB2 ARG 86 1HB ARG 86 -7.818 8.145 0.042 692 HB3 ARG 86 2HB ARG 86 -9.543 8.205 -0.298 693 HG2 ARG 86 1HG ARG 86 -9.131 9.887 -2.035 694 HG3 ARG 86 2HG ARG 86 -7.399 9.781 -1.707 695 HD2 ARG 86 1HD ARG 86 -7.220 7.672 -2.617 696 HD3 ARG 86 2HD ARG 86 -8.922 7.296 -2.344 697 HE ARG 86 HE ARG 86 -7.779 8.667 -4.620 698 HH11 ARG 86 1HH1 ARG 86 -10.657 7.934 -2.803 699 HH12 ARG 86 2HH1 ARG 86 -11.730 8.247 -4.127 700 HH21 ARG 86 1HH2 ARG 86 -9.181 9.083 -6.371 701 HH22 ARG 86 2HH2 ARG 86 -10.889 8.901 -6.156 702 H SER 87 H SER 87 -11.243 9.485 0.280 703 HA SER 87 HA SER 87 -11.764 12.224 -0.676 704 HB2 SER 87 1HB SER 87 -12.068 10.073 -2.196 705 HB3 SER 87 2HB SER 87 -13.607 9.967 -1.342 706 HG SER 87 HG SER 87 -12.666 12.247 -2.749 707 H GLU 88 H GLU 88 -13.357 13.398 0.246 708 HA GLU 88 HA GLU 88 -15.086 12.068 2.219 709 HB2 GLU 88 1HB GLU 88 -13.827 14.781 2.636 710 HB3 GLU 88 2HB GLU 88 -14.788 13.864 3.788 711 HG2 GLU 88 1HG GLU 88 -12.712 13.414 4.582 712 HG3 GLU 88 2HG GLU 88 -12.882 12.082 3.442 713 H SER 89 H SER 89 -16.744 12.109 0.639 714 HA SER 89 HA SER 89 -18.446 12.998 -0.609 715 HB2 SER 89 1HB SER 89 -19.796 14.673 0.613 716 HB3 SER 89 2HB SER 89 -19.296 13.344 1.659 717 HG SER 89 HG SER 89 -18.208 14.705 2.830 718 H GLY 90 H GLY 90 -15.977 13.863 -1.548 719 HA2 GLY 90 1HA GLY 90 -15.674 16.634 -1.822 720 HA3 GLY 90 2HA GLY 90 -15.050 15.433 -2.941 721 HA PRO 91 HA PRO 91 -18.688 17.985 -4.700 722 HB2 PRO 91 1HB PRO 91 -17.282 19.768 -6.189 723 HB3 PRO 91 2HB PRO 91 -17.769 20.083 -4.520 724 HG2 PRO 91 1HG PRO 91 -15.125 19.161 -5.580 725 HG3 PRO 91 2HG PRO 91 -15.469 20.374 -4.333 726 HD2 PRO 91 1HD PRO 91 -14.706 17.845 -3.735 727 HD3 PRO 91 2HD PRO 91 -15.802 18.784 -2.699 728 H SER 92 H SER 92 -19.529 17.342 -6.606 729 HA SER 92 HA SER 92 -18.309 15.369 -8.152 730 HB2 SER 92 1HB SER 92 -20.586 17.225 -8.886 731 HB3 SER 92 2HB SER 92 -20.152 15.762 -9.770 732 HG SER 92 HG SER 92 -21.082 14.593 -8.285 733 H SER 93 H SER 93 -16.820 15.431 -9.694 734 HA SER 93 HA SER 93 -15.336 17.606 -10.415 735 HB2 SER 93 1HB SER 93 -14.646 16.313 -12.425 736 HB3 SER 93 2HB SER 93 -14.634 15.341 -10.954 737 HG SER 93 HG SER 93 -16.413 15.266 -13.126 738 H GLY 94 H GLY 94 -15.343 19.140 -12.029 739 HA2 GLY 94 1HA GLY 94 -17.569 19.186 -13.922 740 HA3 GLY 94 2HA GLY 94 -17.472 20.517 -12.778 Start of MODEL 3 1 H1 GLY 1 H GLY 1 8.825 5.693 16.619 2 HA2 GLY 1 1HA GLY 1 6.146 5.468 17.759 3 HA3 GLY 1 2HA GLY 1 7.201 4.074 17.943 4 H SER 2 H SER 2 7.687 7.596 18.215 5 HA SER 2 HA SER 2 8.904 7.108 20.854 6 HB2 SER 2 1HB SER 2 10.235 9.134 20.484 7 HB3 SER 2 2HB SER 2 10.488 7.979 19.176 8 HG SER 2 HG SER 2 9.525 10.499 19.068 9 H SER 3 H SER 3 7.054 7.326 22.089 10 HA SER 3 HA SER 3 5.354 8.360 23.198 11 HB2 SER 3 1HB SER 3 7.485 9.804 23.689 12 HB3 SER 3 2HB SER 3 6.675 11.005 22.683 13 HG SER 3 HG SER 3 5.855 9.907 25.145 14 H GLY 4 H GLY 4 4.754 7.883 20.546 15 HA2 GLY 4 1HA GLY 4 3.115 10.251 19.882 16 HA3 GLY 4 2HA GLY 4 3.918 9.299 18.642 17 H SER 5 H SER 5 1.490 9.117 21.212 18 HA SER 5 HA SER 5 0.436 6.618 20.691 19 HB2 SER 5 1HB SER 5 -0.172 8.376 22.522 20 HB3 SER 5 2HB SER 5 -1.382 8.914 21.357 21 HG SER 5 HG SER 5 -1.176 6.462 22.710 22 H SER 6 H SER 6 -0.454 9.722 19.213 23 HA SER 6 HA SER 6 -2.183 8.343 17.308 24 HB2 SER 6 1HB SER 6 -1.659 11.300 17.700 25 HB3 SER 6 2HB SER 6 -2.853 10.609 16.600 26 HG SER 6 HG SER 6 -3.921 11.111 18.468 27 H GLY 7 H GLY 7 0.295 7.504 16.847 28 HA2 GLY 7 1HA GLY 7 1.554 9.200 14.835 29 HA3 GLY 7 2HA GLY 7 2.185 7.686 15.464 30 H ILE 8 H ILE 8 -0.342 9.038 13.381 31 HA ILE 8 HA ILE 8 -0.131 6.614 11.723 32 HB ILE 8 HB ILE 8 -2.670 8.135 12.324 33 HG12 ILE 8 1HG1 ILE 8 -2.106 5.244 12.948 34 HG13 ILE 8 2HG1 ILE 8 -1.678 6.524 14.080 35 HG21 ILE 8 1HG2 ILE 8 -2.999 7.435 10.157 36 HG22 ILE 8 2HG2 ILE 8 -1.993 6.001 10.354 37 HG23 ILE 8 3HG2 ILE 8 -3.607 6.048 11.061 38 HD11 ILE 8 3HD1 ILE 8 -3.876 5.385 14.485 39 HD12 ILE 8 1HD1 ILE 8 -3.936 7.144 14.371 40 HD13 ILE 8 2HD1 ILE 8 -4.456 6.153 13.008 41 H VAL 9 H VAL 9 -0.128 6.906 9.527 42 HA VAL 9 HA VAL 9 -0.642 9.549 8.421 43 HB VAL 9 HB VAL 9 1.764 9.562 9.059 44 HG11 VAL 9 1HG1 VAL 9 2.470 7.742 6.847 45 HG12 VAL 9 2HG1 VAL 9 3.261 8.001 8.403 46 HG13 VAL 9 3HG1 VAL 9 1.824 6.983 8.302 47 HG21 VAL 9 3HG2 VAL 9 0.849 10.880 7.153 48 HG22 VAL 9 1HG2 VAL 9 2.558 10.476 6.988 49 HG23 VAL 9 2HG2 VAL 9 1.347 9.578 6.073 50 H LEU 10 H LEU 10 -0.574 9.538 6.028 51 HA LEU 10 HA LEU 10 -2.096 7.463 4.958 52 HB2 LEU 10 1HB LEU 10 -0.330 9.410 3.481 53 HB3 LEU 10 2HB LEU 10 -1.640 8.465 2.778 54 HG LEU 10 HG LEU 10 -3.043 9.760 4.633 55 HD11 LEU 10 1HD1 LEU 10 -0.499 11.071 4.667 56 HD12 LEU 10 2HD1 LEU 10 -1.936 11.396 5.636 57 HD13 LEU 10 3HD1 LEU 10 -1.732 12.181 4.070 58 HD21 LEU 10 3HD2 LEU 10 -3.645 9.819 2.341 59 HD22 LEU 10 1HD2 LEU 10 -2.205 10.744 1.914 60 HD23 LEU 10 2HD2 LEU 10 -3.488 11.497 2.863 61 H LEU 11 H LEU 11 1.340 7.810 5.275 62 HA LEU 11 HA LEU 11 2.021 5.794 3.350 63 HB2 LEU 11 1HB LEU 11 3.495 7.701 4.117 64 HB3 LEU 11 2HB LEU 11 3.736 6.796 5.610 65 HG LEU 11 HG LEU 11 4.490 4.909 3.902 66 HD11 LEU 11 1HD1 LEU 11 5.931 6.674 2.304 67 HD12 LEU 11 2HD1 LEU 11 4.275 7.278 2.273 68 HD13 LEU 11 3HD1 LEU 11 4.615 5.612 1.801 69 HD21 LEU 11 3HD2 LEU 11 5.862 5.765 5.696 70 HD22 LEU 11 1HD2 LEU 11 6.180 7.244 4.789 71 HD23 LEU 11 2HD2 LEU 11 6.808 5.702 4.207 72 H ARG 12 H ARG 12 1.068 5.829 6.659 73 HA ARG 12 HA ARG 12 2.250 3.555 7.689 74 HB2 ARG 12 1HB ARG 12 0.738 5.195 8.887 75 HB3 ARG 12 2HB ARG 12 -0.623 4.331 8.184 76 HG2 ARG 12 1HG ARG 12 -0.507 3.281 10.192 77 HG3 ARG 12 2HG ARG 12 0.591 2.253 9.269 78 HD2 ARG 12 1HD ARG 12 2.500 3.486 10.130 79 HD3 ARG 12 2HD ARG 12 1.424 4.577 11.002 80 HE ARG 12 HE ARG 12 0.752 2.127 11.952 81 HH11 ARG 12 1HH1 ARG 12 3.759 3.857 11.648 82 HH12 ARG 12 2HH1 ARG 12 4.480 3.109 13.034 83 HH21 ARG 12 1HH2 ARG 12 1.692 1.135 13.778 84 HH22 ARG 12 2HH2 ARG 12 3.304 1.560 14.245 85 H GLY 13 H GLY 13 -0.307 3.843 5.342 86 HA2 GLY 13 1HA GLY 13 -1.629 1.469 5.418 87 HA3 GLY 13 2HA GLY 13 -1.159 2.243 3.911 88 H LEU 14 H LEU 14 1.683 1.958 4.332 89 HA LEU 14 HA LEU 14 2.032 -0.624 3.216 90 HB2 LEU 14 1HB LEU 14 4.118 1.234 4.347 91 HB3 LEU 14 2HB LEU 14 4.407 -0.123 3.260 92 HG LEU 14 HG LEU 14 2.753 2.273 2.489 93 HD11 LEU 14 1HD1 LEU 14 5.377 2.120 1.281 94 HD12 LEU 14 2HD1 LEU 14 5.471 2.314 3.031 95 HD13 LEU 14 3HD1 LEU 14 4.570 3.480 2.062 96 HD21 LEU 14 3HD2 LEU 14 2.548 0.061 1.257 97 HD22 LEU 14 1HD2 LEU 14 4.211 0.319 0.730 98 HD23 LEU 14 2HD2 LEU 14 2.955 1.474 0.282 99 H GLU 15 H GLU 15 3.442 0.710 6.213 100 HA GLU 15 HA GLU 15 4.324 -1.698 7.272 101 HB2 GLU 15 1HB GLU 15 3.496 0.891 8.558 102 HB3 GLU 15 2HB GLU 15 4.042 -0.471 9.525 103 HG2 GLU 15 1HG GLU 15 5.668 0.686 7.283 104 HG3 GLU 15 2HG GLU 15 5.775 1.263 8.944 105 H CYS 16 H CYS 16 1.135 -0.286 7.271 106 HA CYS 16 HA CYS 16 -0.129 -1.605 9.319 107 HB2 CYS 16 1HB CYS 16 -1.319 0.032 8.029 108 HB3 CYS 16 2HB CYS 16 -1.153 -0.923 6.561 109 HG CYS 16 HG CYS 16 -2.909 -2.103 9.236 110 H ILE 17 H ILE 17 0.083 -2.771 5.953 111 HA ILE 17 HA ILE 17 -1.001 -5.317 6.504 112 HB ILE 17 HB ILE 17 0.076 -5.969 4.306 113 HG12 ILE 17 1HG1 ILE 17 0.751 -3.026 4.167 114 HG13 ILE 17 2HG1 ILE 17 1.936 -4.278 4.527 115 HG21 ILE 17 1HG2 ILE 17 -2.146 -5.352 4.129 116 HG22 ILE 17 2HG2 ILE 17 -1.833 -3.693 4.637 117 HG23 ILE 17 3HG2 ILE 17 -1.358 -4.226 3.025 118 HD11 ILE 17 3HD1 ILE 17 1.152 -5.327 2.305 119 HD12 ILE 17 1HD1 ILE 17 0.489 -3.727 1.976 120 HD13 ILE 17 2HD1 ILE 17 2.218 -3.922 2.266 121 H ASN 18 H ASN 18 -0.096 -7.220 7.086 122 HA ASN 18 HA ASN 18 2.344 -7.251 8.465 123 HB2 ASN 18 1HB ASN 18 0.694 -9.529 7.353 124 HB3 ASN 18 2HB ASN 18 2.064 -9.742 8.440 125 HD21 ASN 18 1HD2 ASN 18 1.714 -9.661 10.553 126 HD22 ASN 18 2HD2 ASN 18 0.248 -9.138 11.305 127 H LYS 19 H LYS 19 4.364 -8.084 7.966 128 HA LYS 19 HA LYS 19 5.572 -7.533 5.632 129 HB2 LYS 19 1HB LYS 19 6.497 -8.593 7.847 130 HB3 LYS 19 2HB LYS 19 6.341 -10.105 6.962 131 HG2 LYS 19 1HG LYS 19 8.540 -9.467 6.589 132 HG3 LYS 19 2HG LYS 19 7.702 -8.942 5.126 133 HD2 LYS 19 1HD LYS 19 7.675 -6.680 5.853 134 HD3 LYS 19 2HD LYS 19 8.199 -7.128 7.479 135 HE2 LYS 19 1HE LYS 19 10.290 -8.069 6.278 136 HE3 LYS 19 2HE LYS 19 9.776 -7.052 4.932 137 HZ1 LYS 19 3HZ LYS 19 10.617 -5.288 5.942 138 HZ2 LYS 19 1HZ LYS 19 11.231 -6.288 7.161 139 HZ3 LYS 19 2HZ LYS 19 9.707 -5.575 7.339 140 H HIS 20 H HIS 20 3.903 -10.576 6.354 141 HA HIS 20 HA HIS 20 4.493 -12.072 4.142 142 HB2 HIS 20 1HB HIS 20 3.102 -12.906 5.968 143 HB3 HIS 20 2HB HIS 20 1.800 -11.815 5.499 144 HD1 HIS 20 HD1 HIS 20 3.778 -14.669 3.934 145 HD2 HIS 20 HD2 HIS 20 -0.019 -12.984 3.878 146 HE1 HIS 20 HE1 HIS 20 2.403 -16.161 2.450 147 HE2 HIS 20 HE2 HIS 20 0.132 -15.075 2.363 148 H TYR 21 H TYR 21 1.868 -9.681 4.405 149 HA TYR 21 HA TYR 21 1.114 -9.928 1.662 150 HB2 TYR 21 1HB TYR 21 0.393 -8.067 3.898 151 HB3 TYR 21 2HB TYR 21 -0.082 -7.674 2.250 152 HD1 TYR 21 HD1 TYR 21 -1.051 -9.952 1.003 153 HD2 TYR 21 HD2 TYR 21 -1.291 -9.010 5.145 154 HE1 TYR 21 HE1 TYR 21 -3.015 -11.417 1.215 155 HE2 TYR 21 HE2 TYR 21 -3.255 -10.474 5.369 156 HH TYR 21 HH TYR 21 -4.150 -12.573 4.028 157 H PHE 22 H PHE 22 2.828 -7.410 3.505 158 HA PHE 22 HA PHE 22 3.320 -5.523 1.644 159 HB2 PHE 22 1HB PHE 22 4.201 -5.298 3.876 160 HB3 PHE 22 2HB PHE 22 5.284 -6.666 3.637 161 HD1 PHE 22 HD1 PHE 22 4.515 -3.492 1.822 162 HD2 PHE 22 HD2 PHE 22 7.484 -6.080 3.436 163 HE1 PHE 22 HE1 PHE 22 6.273 -1.956 1.045 164 HE2 PHE 22 HE2 PHE 22 9.246 -4.548 2.663 165 HZ PHE 22 HZ PHE 22 8.642 -2.482 1.467 166 H SER 23 H SER 23 5.179 -8.531 1.990 167 HA SER 23 HA SER 23 7.102 -8.185 0.075 168 HB2 SER 23 1HB SER 23 6.859 -10.184 1.559 169 HB3 SER 23 2HB SER 23 5.569 -10.761 0.504 170 HG SER 23 HG SER 23 8.299 -10.756 0.122 171 H LEU 24 H LEU 24 3.748 -9.199 -0.418 172 HA LEU 24 HA LEU 24 3.937 -9.711 -3.179 173 HB2 LEU 24 1HB LEU 24 1.647 -8.972 -1.385 174 HB3 LEU 24 2HB LEU 24 1.425 -9.237 -3.113 175 HG LEU 24 HG LEU 24 2.588 -11.539 -2.569 176 HD11 LEU 24 1HD1 LEU 24 2.891 -12.006 -0.426 177 HD12 LEU 24 2HD1 LEU 24 1.171 -11.766 -0.119 178 HD13 LEU 24 3HD1 LEU 24 2.289 -10.408 0.013 179 HD21 LEU 24 3HD2 LEU 24 -0.264 -11.172 -1.709 180 HD22 LEU 24 1HD2 LEU 24 0.470 -12.532 -2.558 181 HD23 LEU 24 2HD2 LEU 24 0.228 -10.998 -3.395 182 H PHE 25 H PHE 25 2.642 -6.843 -1.495 183 HA PHE 25 HA PHE 25 2.010 -5.205 -3.536 184 HB2 PHE 25 1HB PHE 25 2.053 -4.711 -1.011 185 HB3 PHE 25 2HB PHE 25 3.701 -4.151 -1.280 186 HD1 PHE 25 HD1 PHE 25 0.461 -3.739 -3.091 187 HD2 PHE 25 HD2 PHE 25 3.842 -1.869 -1.306 188 HE1 PHE 25 HE1 PHE 25 -0.403 -1.537 -3.770 189 HE2 PHE 25 HE2 PHE 25 2.983 0.336 -1.980 190 HZ PHE 25 HZ PHE 25 0.858 0.504 -3.213 191 H LYS 26 H LYS 26 5.308 -5.638 -2.281 192 HA LYS 26 HA LYS 26 6.632 -3.877 -3.968 193 HB2 LYS 26 1HB LYS 26 7.413 -6.320 -2.457 194 HB3 LYS 26 2HB LYS 26 8.533 -5.726 -3.676 195 HG2 LYS 26 1HG LYS 26 8.617 -3.564 -2.572 196 HG3 LYS 26 2HG LYS 26 7.449 -4.117 -1.371 197 HD2 LYS 26 1HD LYS 26 10.122 -5.430 -1.839 198 HD3 LYS 26 2HD LYS 26 9.843 -4.179 -0.625 199 HE2 LYS 26 1HE LYS 26 8.139 -5.600 0.426 200 HE3 LYS 26 2HE LYS 26 8.448 -6.852 -0.778 201 HZ1 LYS 26 3HZ LYS 26 9.637 -7.364 1.220 202 HZ2 LYS 26 1HZ LYS 26 10.361 -5.836 1.253 203 HZ3 LYS 26 2HZ LYS 26 10.761 -6.934 0.032 204 H SER 27 H SER 27 5.825 -7.291 -4.480 205 HA SER 27 HA SER 27 7.112 -7.551 -6.977 206 HB2 SER 27 1HB SER 27 5.074 -9.103 -5.458 207 HB3 SER 27 2HB SER 27 5.225 -9.432 -7.184 208 HG SER 27 HG SER 27 6.633 -10.589 -5.507 209 H LEU 28 H LEU 28 3.958 -6.370 -6.039 210 HA LEU 28 HA LEU 28 2.917 -6.331 -8.721 211 HB2 LEU 28 1HB LEU 28 1.882 -4.912 -6.273 212 HB3 LEU 28 2HB LEU 28 0.999 -5.223 -7.765 213 HG LEU 28 HG LEU 28 2.019 -7.473 -6.059 214 HD11 LEU 28 1HD1 LEU 28 -0.184 -5.616 -5.499 215 HD12 LEU 28 2HD1 LEU 28 0.692 -6.703 -4.423 216 HD13 LEU 28 3HD1 LEU 28 -0.612 -7.327 -5.432 217 HD21 LEU 28 3HD2 LEU 28 -0.304 -8.273 -7.169 218 HD22 LEU 28 1HD2 LEU 28 1.275 -8.498 -7.923 219 HD23 LEU 28 2HD2 LEU 28 0.258 -7.136 -8.397 220 H LEU 29 H LEU 29 4.705 -4.183 -6.674 221 HA LEU 29 HA LEU 29 4.239 -1.926 -8.478 222 HB2 LEU 29 1HB LEU 29 5.216 -2.232 -5.696 223 HB3 LEU 29 2HB LEU 29 5.855 -0.883 -6.634 224 HG LEU 29 HG LEU 29 3.984 -0.169 -5.266 225 HD11 LEU 29 1HD1 LEU 29 2.724 -0.169 -7.935 226 HD12 LEU 29 2HD1 LEU 29 4.368 0.463 -7.841 227 HD13 LEU 29 3HD1 LEU 29 3.094 1.172 -6.849 228 HD21 LEU 29 3HD2 LEU 29 2.343 -2.179 -6.805 229 HD22 LEU 29 1HD2 LEU 29 1.748 -1.043 -5.593 230 HD23 LEU 29 2HD2 LEU 29 2.842 -2.344 -5.120 231 H ALA 30 H ALA 30 6.500 -4.385 -7.834 232 HA ALA 30 HA ALA 30 8.981 -3.452 -8.267 233 HB1 ALA 30 3HB ALA 30 9.580 -5.528 -9.189 234 HB2 ALA 30 1HB ALA 30 8.201 -5.870 -8.144 235 HB3 ALA 30 2HB ALA 30 7.981 -5.772 -9.891 236 H ARG 31 H ARG 31 6.636 -4.058 -10.879 237 HA ARG 31 HA ARG 31 8.230 -3.239 -13.012 238 HB2 ARG 31 1HB ARG 31 5.801 -2.547 -13.920 239 HB3 ARG 31 2HB ARG 31 6.348 -4.216 -13.828 240 HG2 ARG 31 1HG ARG 31 4.997 -3.078 -11.447 241 HG3 ARG 31 2HG ARG 31 4.011 -3.440 -12.865 242 HD2 ARG 31 1HD ARG 31 5.942 -5.495 -11.918 243 HD3 ARG 31 2HD ARG 31 4.464 -5.246 -10.991 244 HE ARG 31 HE ARG 31 4.694 -6.592 -13.469 245 HH11 ARG 31 1HH1 ARG 31 2.602 -4.445 -11.698 246 HH12 ARG 31 2HH1 ARG 31 1.161 -4.972 -12.504 247 HH21 ARG 31 1HH2 ARG 31 2.805 -7.295 -14.537 248 HH22 ARG 31 2HH2 ARG 31 1.278 -6.594 -14.118 249 H ASP 32 H ASP 32 5.678 -1.325 -11.407 250 HA ASP 32 HA ASP 32 6.256 1.099 -12.651 251 HB2 ASP 32 1HB ASP 32 4.884 0.344 -10.101 252 HB3 ASP 32 2HB ASP 32 5.222 2.042 -10.421 253 H LEU 33 H LEU 33 7.116 0.209 -9.302 254 HA LEU 33 HA LEU 33 8.881 2.353 -8.903 255 HB2 LEU 33 1HB LEU 33 8.713 -0.348 -7.582 256 HB3 LEU 33 2HB LEU 33 9.777 0.945 -7.030 257 HG LEU 33 HG LEU 33 6.761 0.948 -7.040 258 HD11 LEU 33 1HD1 LEU 33 8.610 1.269 -4.699 259 HD12 LEU 33 2HD1 LEU 33 8.071 -0.316 -5.253 260 HD13 LEU 33 3HD1 LEU 33 6.891 0.874 -4.705 261 HD21 LEU 33 3HD2 LEU 33 8.711 3.142 -6.925 262 HD22 LEU 33 1HD2 LEU 33 7.491 3.156 -5.651 263 HD23 LEU 33 2HD2 LEU 33 6.998 3.162 -7.344 264 H ASN 34 H ASN 34 9.257 -0.591 -10.620 265 HA ASN 34 HA ASN 34 10.961 -1.357 -11.929 266 HB2 ASN 34 1HB ASN 34 12.712 0.926 -11.061 267 HB3 ASN 34 2HB ASN 34 12.686 0.076 -12.604 268 HD21 ASN 34 1HD2 ASN 34 11.630 2.765 -10.886 269 HD22 ASN 34 2HD2 ASN 34 10.506 3.380 -12.046 270 H LEU 35 H LEU 35 10.627 -2.226 -9.263 271 HA LEU 35 HA LEU 35 13.158 -2.361 -7.936 272 HB2 LEU 35 1HB LEU 35 10.834 -4.212 -7.498 273 HB3 LEU 35 2HB LEU 35 12.094 -3.753 -6.353 274 HG LEU 35 HG LEU 35 10.158 -1.718 -7.405 275 HD11 LEU 35 1HD1 LEU 35 9.459 -4.008 -5.870 276 HD12 LEU 35 2HD1 LEU 35 8.447 -2.646 -6.348 277 HD13 LEU 35 3HD1 LEU 35 9.352 -2.584 -4.836 278 HD21 LEU 35 3HD2 LEU 35 10.791 -0.462 -5.546 279 HD22 LEU 35 1HD2 LEU 35 12.300 -1.197 -6.086 280 HD23 LEU 35 2HD2 LEU 35 11.441 -1.864 -4.698 281 H GLU 36 H GLU 36 14.184 -4.488 -7.402 282 HA GLU 36 HA GLU 36 14.572 -5.981 -9.870 283 HB2 GLU 36 1HB GLU 36 16.067 -5.820 -7.267 284 HB3 GLU 36 2HB GLU 36 16.405 -7.093 -8.431 285 HG2 GLU 36 1HG GLU 36 17.950 -5.578 -9.094 286 HG3 GLU 36 2HG GLU 36 16.594 -5.039 -10.081 287 H ARG 37 H ARG 37 12.918 -7.403 -10.121 288 HA ARG 37 HA ARG 37 11.400 -8.749 -8.352 289 HB2 ARG 37 1HB ARG 37 11.058 -10.466 -9.999 290 HB3 ARG 37 2HB ARG 37 11.249 -8.930 -10.835 291 HG2 ARG 37 1HG ARG 37 12.566 -10.262 -12.129 292 HG3 ARG 37 2HG ARG 37 13.762 -9.686 -10.966 293 HD2 ARG 37 1HD ARG 37 13.681 -11.709 -9.742 294 HD3 ARG 37 2HD ARG 37 12.227 -12.244 -10.586 295 HE ARG 37 HE ARG 37 14.525 -11.848 -12.285 296 HH11 ARG 37 1HH1 ARG 37 12.755 -14.084 -10.287 297 HH12 ARG 37 2HH1 ARG 37 13.391 -15.492 -11.074 298 HH21 ARG 37 1HH2 ARG 37 15.368 -13.694 -13.328 299 HH22 ARG 37 2HH2 ARG 37 14.876 -15.269 -12.802 300 H ASP 38 H ASP 38 14.774 -9.265 -8.924 301 HA ASP 38 HA ASP 38 14.791 -11.754 -7.399 302 HB2 ASP 38 1HB ASP 38 17.264 -11.701 -7.932 303 HB3 ASP 38 2HB ASP 38 16.191 -11.821 -9.324 304 H ASN 39 H ASN 39 15.866 -8.411 -7.172 305 HA ASN 39 HA ASN 39 16.788 -8.922 -4.425 306 HB2 ASN 39 1HB ASN 39 18.239 -7.773 -6.324 307 HB3 ASN 39 2HB ASN 39 17.346 -6.341 -5.819 308 HD21 ASN 39 1HD2 ASN 39 18.634 -9.101 -4.008 309 HD22 ASN 39 2HD2 ASN 39 19.608 -8.160 -2.935 310 H GLN 40 H GLN 40 14.088 -8.856 -4.701 311 HA GLN 40 HA GLN 40 13.130 -6.170 -4.168 312 HB2 GLN 40 1HB GLN 40 11.887 -8.822 -4.672 313 HB3 GLN 40 2HB GLN 40 10.965 -7.673 -3.710 314 HG2 GLN 40 1HG GLN 40 11.084 -6.041 -5.498 315 HG3 GLN 40 2HG GLN 40 12.071 -7.142 -6.458 316 HE21 GLN 40 1HE2 GLN 40 10.384 -6.836 -8.059 317 HE22 GLN 40 2HE2 GLN 40 8.956 -7.804 -7.974 318 H GLU 41 H GLU 41 14.203 -8.912 -2.407 319 HA GLU 41 HA GLU 41 12.772 -8.505 -0.001 320 HB2 GLU 41 1HB GLU 41 14.507 -9.931 1.025 321 HB3 GLU 41 2HB GLU 41 13.864 -10.622 -0.458 322 HG2 GLU 41 1HG GLU 41 16.075 -10.981 -0.806 323 HG3 GLU 41 2HG GLU 41 15.930 -9.378 -1.523 324 H GLN 42 H GLN 42 16.063 -7.563 -0.978 325 HA GLN 42 HA GLN 42 16.954 -6.319 1.278 326 HB2 GLN 42 1HB GLN 42 18.371 -4.953 -0.125 327 HB3 GLN 42 2HB GLN 42 18.250 -6.563 -0.821 328 HG2 GLN 42 1HG GLN 42 17.082 -5.847 -2.638 329 HG3 GLN 42 2HG GLN 42 16.344 -4.501 -1.771 330 HE21 GLN 42 1HE2 GLN 42 17.318 -4.085 -4.255 331 HE22 GLN 42 2HE2 GLN 42 18.754 -3.126 -4.188 332 H TYR 43 H TYR 43 14.477 -5.216 -0.903 333 HA TYR 43 HA TYR 43 14.413 -2.522 0.070 334 HB2 TYR 43 1HB TYR 43 12.497 -4.141 -1.609 335 HB3 TYR 43 2HB TYR 43 12.199 -2.463 -1.167 336 HD1 TYR 43 HD1 TYR 43 14.780 -1.189 -1.474 337 HD2 TYR 43 HD2 TYR 43 12.965 -4.197 -3.875 338 HE1 TYR 43 HE1 TYR 43 16.108 -0.441 -3.405 339 HE2 TYR 43 HE2 TYR 43 14.288 -3.458 -5.812 340 HH TYR 43 HH TYR 43 16.469 -0.669 -5.591 341 H THR 44 H THR 44 13.017 -1.592 1.524 342 HA THR 44 HA THR 44 11.348 -3.442 3.099 343 HB THR 44 HB THR 44 11.839 -2.110 5.101 344 HG1 THR 44 HG1 THR 44 12.830 -0.249 4.930 345 HG21 THR 44 3HG2 THR 44 14.428 -2.917 3.785 346 HG22 THR 44 1HG2 THR 44 13.264 -4.077 4.424 347 HG23 THR 44 2HG2 THR 44 14.043 -2.921 5.505 348 H THR 45 H THR 45 9.651 -2.257 4.399 349 HA THR 45 HA THR 45 7.861 -0.958 2.758 350 HB THR 45 HB THR 45 6.850 -0.063 4.951 351 HG1 THR 45 HG1 THR 45 8.131 -0.236 6.617 352 HG21 THR 45 3HG2 THR 45 7.316 -2.991 4.418 353 HG22 THR 45 1HG2 THR 45 5.918 -2.014 3.970 354 HG23 THR 45 2HG2 THR 45 6.212 -2.409 5.663 355 H ILE 46 H ILE 46 10.564 0.356 4.486 356 HA ILE 46 HA ILE 46 9.708 3.095 4.318 357 HB ILE 46 HB ILE 46 12.346 1.824 5.025 358 HG12 ILE 46 1HG1 ILE 46 10.593 1.627 6.710 359 HG13 ILE 46 2HG1 ILE 46 11.833 2.749 7.258 360 HG21 ILE 46 1HG2 ILE 46 11.835 4.519 4.148 361 HG22 ILE 46 2HG2 ILE 46 12.415 4.499 5.813 362 HG23 ILE 46 3HG2 ILE 46 13.367 3.738 4.539 363 HD11 ILE 46 3HD1 ILE 46 9.023 3.166 6.919 364 HD12 ILE 46 1HD1 ILE 46 10.232 4.218 7.656 365 HD13 ILE 46 2HD1 ILE 46 9.930 4.303 5.921 366 H GLN 47 H GLN 47 12.612 1.548 2.942 367 HA GLN 47 HA GLN 47 13.306 3.422 1.103 368 HB2 GLN 47 1HB GLN 47 13.403 0.419 0.780 369 HB3 GLN 47 2HB GLN 47 14.243 1.553 -0.270 370 HG2 GLN 47 1HG GLN 47 15.265 2.423 1.965 371 HG3 GLN 47 2HG GLN 47 14.789 0.837 2.570 372 HE21 GLN 47 1HE2 GLN 47 15.816 -0.992 1.801 373 HE22 GLN 47 2HE2 GLN 47 17.285 -0.921 0.895 374 H ILE 48 H ILE 48 10.748 1.026 0.796 375 HA ILE 48 HA ILE 48 10.171 1.609 -1.941 376 HB ILE 48 HB ILE 48 8.534 0.198 0.166 377 HG12 ILE 48 1HG1 ILE 48 10.725 -0.823 -0.633 378 HG13 ILE 48 2HG1 ILE 48 9.290 -1.827 -0.814 379 HG21 ILE 48 1HG2 ILE 48 7.912 0.975 -2.611 380 HG22 ILE 48 2HG2 ILE 48 7.506 -0.679 -2.155 381 HG23 ILE 48 3HG2 ILE 48 6.837 0.675 -1.246 382 HD11 ILE 48 3HD1 ILE 48 9.236 -1.536 -3.122 383 HD12 ILE 48 1HD1 ILE 48 10.302 -0.132 -3.063 384 HD13 ILE 48 2HD1 ILE 48 10.947 -1.743 -2.748 385 H ALA 49 H ALA 49 9.083 2.836 1.144 386 HA ALA 49 HA ALA 49 6.739 4.137 0.314 387 HB1 ALA 49 3HB ALA 49 8.154 5.589 2.382 388 HB2 ALA 49 1HB ALA 49 6.616 4.728 2.456 389 HB3 ALA 49 2HB ALA 49 8.130 3.854 2.694 390 H ASN 50 H ASN 50 9.919 5.631 0.961 391 HA ASN 50 HA ASN 50 9.446 8.143 0.003 392 HB2 ASN 50 1HB ASN 50 11.957 6.472 -0.172 393 HB3 ASN 50 2HB ASN 50 11.910 8.177 -0.613 394 HD21 ASN 50 1HD2 ASN 50 12.277 5.954 1.882 395 HD22 ASN 50 2HD2 ASN 50 12.243 7.058 3.211 396 H MET 51 H MET 51 10.753 5.443 -1.929 397 HA MET 51 HA MET 51 10.959 6.609 -4.379 398 HB2 MET 51 1HB MET 51 10.154 3.846 -3.549 399 HB3 MET 51 2HB MET 51 10.142 4.281 -5.252 400 HG2 MET 51 1HG MET 51 12.573 5.138 -4.684 401 HG3 MET 51 2HG MET 51 12.426 3.949 -3.392 402 HE1 MET 51 3HE MET 51 11.738 1.192 -4.076 403 HE2 MET 51 1HE MET 51 13.205 0.733 -4.941 404 HE3 MET 51 2HE MET 51 13.298 1.847 -3.577 405 H MET 52 H MET 52 8.002 5.150 -3.037 406 HA MET 52 HA MET 52 6.342 5.746 -5.228 407 HB2 MET 52 1HB MET 52 5.786 5.194 -2.323 408 HB3 MET 52 2HB MET 52 4.488 5.553 -3.454 409 HG2 MET 52 1HG MET 52 5.364 3.647 -4.861 410 HG3 MET 52 2HG MET 52 6.380 3.224 -3.486 411 HE1 MET 52 3HE MET 52 2.074 2.145 -4.163 412 HE2 MET 52 1HE MET 52 2.568 3.782 -4.596 413 HE3 MET 52 2HE MET 52 3.400 2.395 -5.300 414 H GLU 53 H GLU 53 6.751 7.452 -2.124 415 HA GLU 53 HA GLU 53 5.014 9.509 -2.358 416 HB2 GLU 53 1HB GLU 53 7.821 9.439 -1.298 417 HB3 GLU 53 2HB GLU 53 6.904 10.939 -1.282 418 HG2 GLU 53 1HG GLU 53 5.096 9.642 -0.058 419 HG3 GLU 53 2HG GLU 53 6.307 8.378 0.158 420 H GLU 54 H GLU 54 7.980 9.090 -4.171 421 HA GLU 54 HA GLU 54 7.685 11.702 -5.435 422 HB2 GLU 54 1HB GLU 54 9.796 9.582 -5.864 423 HB3 GLU 54 2HB GLU 54 9.830 11.222 -6.497 424 HG2 GLU 54 1HG GLU 54 9.855 12.061 -4.160 425 HG3 GLU 54 2HG GLU 54 9.994 10.392 -3.611 426 H LYS 55 H LYS 55 7.290 8.300 -6.119 427 HA LYS 55 HA LYS 55 7.105 8.454 -8.927 428 HB2 LYS 55 1HB LYS 55 7.408 6.342 -7.686 429 HB3 LYS 55 2HB LYS 55 5.774 6.490 -7.050 430 HG2 LYS 55 1HG LYS 55 5.510 5.008 -8.798 431 HG3 LYS 55 2HG LYS 55 5.063 6.549 -9.533 432 HD2 LYS 55 1HD LYS 55 7.430 6.730 -10.355 433 HD3 LYS 55 2HD LYS 55 7.678 5.073 -9.798 434 HE2 LYS 55 1HE LYS 55 7.168 4.942 -12.109 435 HE3 LYS 55 2HE LYS 55 5.723 4.416 -11.246 436 HZ1 LYS 55 3HZ LYS 55 6.139 6.762 -12.902 437 HZ2 LYS 55 1HZ LYS 55 5.238 7.021 -11.494 438 HZ3 LYS 55 2HZ LYS 55 4.730 5.868 -12.622 439 H PHE 56 H PHE 56 4.509 8.271 -6.485 440 HA PHE 56 HA PHE 56 2.718 9.549 -8.445 441 HB2 PHE 56 1HB PHE 56 1.611 8.009 -6.144 442 HB3 PHE 56 2HB PHE 56 0.959 8.229 -7.765 443 HD1 PHE 56 HD2 PHE 56 1.725 6.838 -9.612 444 HD2 PHE 56 HD1 PHE 56 3.151 6.242 -5.647 445 HE1 PHE 56 HE2 PHE 56 2.581 4.623 -10.257 446 HE2 PHE 56 HE1 PHE 56 4.012 4.027 -6.285 447 HZ PHE 56 HZ PHE 56 3.726 3.214 -8.592 448 HA PRO 57 HA PRO 57 3.235 12.599 -5.043 449 HB2 PRO 57 1HB PRO 57 3.073 14.762 -6.675 450 HB3 PRO 57 2HB PRO 57 4.580 13.882 -6.393 451 HG2 PRO 57 1HG PRO 57 2.676 13.688 -8.695 452 HG3 PRO 57 2HG PRO 57 4.449 13.728 -8.710 453 HD2 PRO 57 1HD PRO 57 3.043 11.429 -8.966 454 HD3 PRO 57 2HD PRO 57 4.630 11.494 -8.173 455 H ALA 58 H ALA 58 0.777 11.584 -7.022 456 HA ALA 58 HA ALA 58 -1.114 13.695 -6.444 457 HB1 ALA 58 3HB ALA 58 -1.256 11.095 -7.918 458 HB2 ALA 58 1HB ALA 58 -2.727 11.964 -7.483 459 HB3 ALA 58 2HB ALA 58 -1.519 12.733 -8.514 460 H ASP 59 H ASP 59 -0.808 10.247 -5.589 461 HA ASP 59 HA ASP 59 -2.395 10.812 -3.171 462 HB2 ASP 59 1HB ASP 59 -2.469 8.424 -5.005 463 HB3 ASP 59 2HB ASP 59 -3.066 8.340 -3.350 464 H SER 60 H SER 60 0.611 10.312 -4.126 465 HA SER 60 HA SER 60 2.515 9.431 -3.234 466 HB2 SER 60 1HB SER 60 1.224 9.287 -0.543 467 HB3 SER 60 2HB SER 60 2.823 9.881 -0.990 468 HG SER 60 HG SER 60 1.979 11.785 -1.561 469 H GLY 61 H GLY 61 0.362 7.574 -4.109 470 HA2 GLY 61 1HA GLY 61 0.592 5.232 -4.353 471 HA3 GLY 61 2HA GLY 61 1.472 5.185 -2.832 472 H LEU 62 H LEU 62 -0.740 6.984 -1.710 473 HA LEU 62 HA LEU 62 -2.127 5.253 -0.190 474 HB2 LEU 62 1HB LEU 62 -2.451 7.527 0.236 475 HB3 LEU 62 2HB LEU 62 -2.986 7.851 -1.411 476 HG LEU 62 HG LEU 62 -5.066 6.535 -0.882 477 HD11 LEU 62 1HD1 LEU 62 -3.999 5.386 1.103 478 HD12 LEU 62 2HD1 LEU 62 -5.626 6.018 1.350 479 HD13 LEU 62 3HD1 LEU 62 -4.234 6.896 1.984 480 HD21 LEU 62 3HD2 LEU 62 -4.461 9.038 0.685 481 HD22 LEU 62 1HD2 LEU 62 -6.077 8.374 0.446 482 HD23 LEU 62 2HD2 LEU 62 -5.141 8.933 -0.940 483 H GLY 63 H GLY 63 -2.880 6.083 -3.533 484 HA2 GLY 63 1HA GLY 63 -5.327 4.583 -3.592 485 HA3 GLY 63 2HA GLY 63 -4.484 5.260 -4.978 486 H LYS 64 H LYS 64 -2.200 4.066 -5.232 487 HA LYS 64 HA LYS 64 -2.652 1.608 -6.328 488 HB2 LYS 64 1HB LYS 64 -0.519 3.145 -6.286 489 HB3 LYS 64 2HB LYS 64 -0.027 2.085 -4.972 490 HG2 LYS 64 1HG LYS 64 0.935 1.236 -6.964 491 HG3 LYS 64 2HG LYS 64 -0.383 0.148 -6.519 492 HD2 LYS 64 1HD LYS 64 -1.762 0.927 -8.233 493 HD3 LYS 64 2HD LYS 64 -0.828 2.412 -8.436 494 HE2 LYS 64 1HE LYS 64 0.536 -0.184 -8.926 495 HE3 LYS 64 2HE LYS 64 -0.624 0.383 -10.127 496 HZ1 LYS 64 3HZ LYS 64 1.941 1.075 -10.120 497 HZ2 LYS 64 1HZ LYS 64 1.305 2.347 -9.205 498 HZ3 LYS 64 2HZ LYS 64 0.719 2.051 -10.764 499 H LEU 65 H LEU 65 -1.887 2.337 -2.973 500 HA LEU 65 HA LEU 65 -1.469 -0.335 -2.133 501 HB2 LEU 65 1HB LEU 65 -0.815 1.808 -0.936 502 HB3 LEU 65 2HB LEU 65 -2.494 1.906 -0.410 503 HG LEU 65 HG LEU 65 -0.968 0.978 1.303 504 HD11 LEU 65 1HD1 LEU 65 -2.603 -1.368 0.787 505 HD12 LEU 65 2HD1 LEU 65 -3.494 0.141 0.596 506 HD13 LEU 65 3HD1 LEU 65 -2.669 -0.209 2.114 507 HD21 LEU 65 3HD2 LEU 65 0.243 -0.952 1.034 508 HD22 LEU 65 1HD2 LEU 65 0.355 -0.267 -0.588 509 HD23 LEU 65 2HD2 LEU 65 -0.799 -1.558 -0.255 510 H ILE 66 H ILE 66 -4.298 1.812 -1.865 511 HA ILE 66 HA ILE 66 -6.092 0.267 -0.561 512 HB ILE 66 HB ILE 66 -6.515 2.030 -2.961 513 HG12 ILE 66 1HG1 ILE 66 -7.464 2.402 -0.123 514 HG13 ILE 66 2HG1 ILE 66 -5.861 2.910 -0.645 515 HG21 ILE 66 1HG2 ILE 66 -8.594 0.533 -1.376 516 HG22 ILE 66 2HG2 ILE 66 -8.954 1.910 -2.416 517 HG23 ILE 66 3HG2 ILE 66 -8.283 0.434 -3.109 518 HD11 ILE 66 3HD1 ILE 66 -6.653 4.666 -1.822 519 HD12 ILE 66 1HD1 ILE 66 -8.147 3.841 -2.266 520 HD13 ILE 66 2HD1 ILE 66 -7.967 4.530 -0.653 521 H GLU 67 H GLU 67 -5.701 0.165 -4.110 522 HA GLU 67 HA GLU 67 -7.385 -1.888 -4.728 523 HB2 GLU 67 1HB GLU 67 -4.660 -1.301 -5.894 524 HB3 GLU 67 2HB GLU 67 -5.809 -2.424 -6.609 525 HG2 GLU 67 1HG GLU 67 -7.432 -0.408 -6.563 526 HG3 GLU 67 2HG GLU 67 -5.963 0.549 -6.390 527 H PHE 68 H PHE 68 -3.921 -2.302 -3.973 528 HA PHE 68 HA PHE 68 -3.630 -4.978 -4.057 529 HB2 PHE 68 1HB PHE 68 -1.801 -3.521 -3.408 530 HB3 PHE 68 2HB PHE 68 -2.603 -3.140 -1.886 531 HD1 PHE 68 HD1 PHE 68 -1.690 -6.252 -3.741 532 HD2 PHE 68 HD2 PHE 68 -1.638 -4.116 -0.060 533 HE1 PHE 68 HE1 PHE 68 -0.536 -8.139 -2.666 534 HE2 PHE 68 HE2 PHE 68 -0.483 -5.999 1.021 535 HZ PHE 68 HZ PHE 68 0.071 -8.015 -0.282 536 H CYS 69 H CYS 69 -5.034 -3.197 -1.325 537 HA CYS 69 HA CYS 69 -5.552 -5.491 0.253 538 HB2 CYS 69 1HB CYS 69 -6.799 -2.736 0.315 539 HB3 CYS 69 2HB CYS 69 -7.047 -3.970 1.545 540 HG CYS 69 HG CYS 69 -4.511 -1.859 1.140 541 H GLU 70 H GLU 70 -7.702 -3.471 -1.748 542 HA GLU 70 HA GLU 70 -10.107 -4.620 -1.440 543 HB2 GLU 70 1HB GLU 70 -8.722 -3.627 -3.899 544 HB3 GLU 70 2HB GLU 70 -10.307 -4.371 -4.049 545 HG2 GLU 70 1HG GLU 70 -9.858 -2.174 -2.078 546 HG3 GLU 70 2HG GLU 70 -10.120 -1.809 -3.782 547 H GLU 71 H GLU 71 -7.712 -5.863 -3.777 548 HA GLU 71 HA GLU 71 -9.028 -8.089 -4.666 549 HB2 GLU 71 1HB GLU 71 -6.079 -7.966 -4.015 550 HB3 GLU 71 2HB GLU 71 -6.851 -9.069 -5.143 551 HG2 GLU 71 1HG GLU 71 -6.665 -6.079 -5.419 552 HG3 GLU 71 2HG GLU 71 -5.743 -7.277 -6.325 553 H VAL 72 H VAL 72 -6.970 -7.877 -1.773 554 HA VAL 72 HA VAL 72 -7.661 -10.572 -0.972 555 HB VAL 72 HB VAL 72 -6.211 -8.596 0.762 556 HG11 VAL 72 1HG1 VAL 72 -6.618 -10.570 1.929 557 HG12 VAL 72 2HG1 VAL 72 -6.330 -11.580 0.512 558 HG13 VAL 72 3HG1 VAL 72 -4.978 -10.784 1.318 559 HG21 VAL 72 3HG2 VAL 72 -4.117 -9.211 -0.288 560 HG22 VAL 72 1HG2 VAL 72 -4.966 -10.255 -1.427 561 HG23 VAL 72 2HG2 VAL 72 -5.202 -8.508 -1.488 562 HA PRO 73 HA PRO 73 -11.263 -9.304 1.286 563 HB2 PRO 73 1HB PRO 73 -11.711 -11.679 2.522 564 HB3 PRO 73 2HB PRO 73 -12.092 -11.395 0.820 565 HG2 PRO 73 1HG PRO 73 -9.711 -12.751 2.029 566 HG3 PRO 73 2HG PRO 73 -10.675 -13.229 0.618 567 HD2 PRO 73 1HD PRO 73 -8.286 -11.976 0.393 568 HD3 PRO 73 2HD PRO 73 -9.600 -11.743 -0.778 569 H ALA 74 H ALA 74 -8.356 -10.601 2.693 570 HA ALA 74 HA ALA 74 -9.164 -10.061 5.416 571 HB1 ALA 74 3HB ALA 74 -6.388 -10.715 4.458 572 HB2 ALA 74 1HB ALA 74 -7.069 -10.945 6.068 573 HB3 ALA 74 2HB ALA 74 -7.629 -11.941 4.724 574 H LEU 75 H LEU 75 -8.110 -8.187 2.882 575 HA LEU 75 HA LEU 75 -6.974 -6.176 4.714 576 HB2 LEU 75 1HB LEU 75 -6.370 -6.564 1.786 577 HB3 LEU 75 2HB LEU 75 -5.700 -5.302 2.818 578 HG LEU 75 HG LEU 75 -5.228 -8.249 3.246 579 HD11 LEU 75 1HD1 LEU 75 -3.814 -6.243 1.562 580 HD12 LEU 75 2HD1 LEU 75 -4.111 -7.956 1.270 581 HD13 LEU 75 3HD1 LEU 75 -2.869 -7.461 2.418 582 HD21 LEU 75 3HD2 LEU 75 -4.706 -7.341 5.264 583 HD22 LEU 75 1HD2 LEU 75 -4.372 -5.747 4.587 584 HD23 LEU 75 2HD2 LEU 75 -3.181 -7.037 4.430 585 H ARG 76 H ARG 76 -9.370 -6.931 2.382 586 HA ARG 76 HA ARG 76 -10.092 -4.581 1.222 587 HB2 ARG 76 1HB ARG 76 -11.641 -6.911 2.235 588 HB3 ARG 76 2HB ARG 76 -12.546 -5.472 1.784 589 HG2 ARG 76 1HG ARG 76 -11.607 -5.548 -0.450 590 HG3 ARG 76 2HG ARG 76 -10.626 -6.947 -0.006 591 HD2 ARG 76 1HD ARG 76 -12.480 -7.836 -1.140 592 HD3 ARG 76 2HD ARG 76 -12.819 -8.100 0.571 593 HE ARG 76 HE ARG 76 -13.995 -5.699 -0.029 594 HH11 ARG 76 1HH1 ARG 76 -14.233 -8.960 -1.223 595 HH12 ARG 76 2HH1 ARG 76 -15.897 -8.808 -1.684 596 HH21 ARG 76 1HH2 ARG 76 -16.186 -5.487 -0.632 597 HH22 ARG 76 2HH2 ARG 76 -17.006 -6.832 -1.348 598 H LYS 77 H LYS 77 -10.297 -5.395 4.587 599 HA LYS 77 HA LYS 77 -12.160 -3.442 5.405 600 HB2 LYS 77 1HB LYS 77 -11.612 -5.256 6.884 601 HB3 LYS 77 2HB LYS 77 -9.911 -4.809 6.886 602 HG2 LYS 77 1HG LYS 77 -10.549 -3.936 8.887 603 HG3 LYS 77 2HG LYS 77 -10.855 -2.545 7.844 604 HD2 LYS 77 1HD LYS 77 -12.839 -2.628 8.981 605 HD3 LYS 77 2HD LYS 77 -13.229 -3.678 7.616 606 HE2 LYS 77 1HE LYS 77 -12.222 -4.640 10.291 607 HE3 LYS 77 2HE LYS 77 -13.919 -4.599 9.817 608 HZ1 LYS 77 3HZ LYS 77 -11.752 -6.230 8.621 609 HZ2 LYS 77 1HZ LYS 77 -13.275 -6.052 7.907 610 HZ3 LYS 77 2HZ LYS 77 -13.134 -6.780 9.427 611 H ARG 78 H ARG 78 -8.631 -3.387 5.119 612 HA ARG 78 HA ARG 78 -8.365 -0.730 6.135 613 HB2 ARG 78 1HB ARG 78 -6.489 -2.540 4.615 614 HB3 ARG 78 2HB ARG 78 -6.037 -0.925 5.144 615 HG2 ARG 78 1HG ARG 78 -7.021 -3.044 7.032 616 HG3 ARG 78 2HG ARG 78 -5.318 -2.824 6.631 617 HD2 ARG 78 1HD ARG 78 -5.335 -0.597 7.516 618 HD3 ARG 78 2HD ARG 78 -7.083 -0.648 7.738 619 HE ARG 78 HE ARG 78 -6.118 -2.729 9.232 620 HH11 ARG 78 1HH1 ARG 78 -5.584 0.708 9.116 621 HH12 ARG 78 2HH1 ARG 78 -5.218 0.840 10.804 622 HH21 ARG 78 1HH2 ARG 78 -5.639 -2.569 11.456 623 HH22 ARG 78 2HH2 ARG 78 -5.249 -1.024 12.135 624 H ALA 79 H ALA 79 -8.714 -2.162 2.950 625 HA ALA 79 HA ALA 79 -7.968 -0.027 1.340 626 HB1 ALA 79 3HB ALA 79 -10.235 -1.287 0.169 627 HB2 ALA 79 1HB ALA 79 -8.529 -1.486 -0.231 628 HB3 ALA 79 2HB ALA 79 -9.273 -2.514 0.994 629 H GLU 80 H GLU 80 -11.348 -0.871 2.120 630 HA GLU 80 HA GLU 80 -12.576 1.395 1.202 631 HB2 GLU 80 1HB GLU 80 -14.345 0.958 2.908 632 HB3 GLU 80 2HB GLU 80 -13.881 -0.463 1.983 633 HG2 GLU 80 1HG GLU 80 -12.305 -0.974 3.942 634 HG3 GLU 80 2HG GLU 80 -13.264 0.205 4.834 635 H ILE 81 H ILE 81 -11.448 0.888 4.548 636 HA ILE 81 HA ILE 81 -12.069 3.307 5.654 637 HB ILE 81 HB ILE 81 -9.530 1.737 6.112 638 HG12 ILE 81 1HG1 ILE 81 -12.065 1.722 7.751 639 HG13 ILE 81 2HG1 ILE 81 -11.770 0.573 6.451 640 HG21 ILE 81 1HG2 ILE 81 -9.178 2.943 8.078 641 HG22 ILE 81 2HG2 ILE 81 -9.626 4.175 6.900 642 HG23 ILE 81 3HG2 ILE 81 -10.811 3.606 8.075 643 HD11 ILE 81 3HD1 ILE 81 -11.216 -0.436 8.551 644 HD12 ILE 81 1HD1 ILE 81 -9.734 -0.173 7.632 645 HD13 ILE 81 2HD1 ILE 81 -10.151 0.908 8.962 646 H LEU 82 H LEU 82 -9.241 2.538 3.666 647 HA LEU 82 HA LEU 82 -7.974 5.047 3.916 648 HB2 LEU 82 1HB LEU 82 -7.819 2.926 1.786 649 HB3 LEU 82 2HB LEU 82 -6.797 4.362 1.804 650 HG LEU 82 HG LEU 82 -6.833 2.496 4.147 651 HD11 LEU 82 1HD1 LEU 82 -4.905 2.178 1.877 652 HD12 LEU 82 2HD1 LEU 82 -6.423 1.284 1.922 653 HD13 LEU 82 3HD1 LEU 82 -5.240 1.078 3.214 654 HD21 LEU 82 3HD2 LEU 82 -5.630 4.899 3.723 655 HD22 LEU 82 1HD2 LEU 82 -4.364 3.777 3.226 656 HD23 LEU 82 2HD2 LEU 82 -5.053 3.668 4.846 657 H LYS 83 H LYS 83 -9.927 3.716 1.244 658 HA LYS 83 HA LYS 83 -10.006 5.815 -0.471 659 HB2 LYS 83 1HB LYS 83 -12.230 3.950 0.345 660 HB3 LYS 83 2HB LYS 83 -12.403 5.104 -0.970 661 HG2 LYS 83 1HG LYS 83 -10.798 4.024 -2.284 662 HG3 LYS 83 2HG LYS 83 -10.163 3.112 -0.912 663 HD2 LYS 83 1HD LYS 83 -12.208 1.814 -0.794 664 HD3 LYS 83 2HD LYS 83 -12.920 2.771 -2.094 665 HE2 LYS 83 1HE LYS 83 -10.851 2.003 -3.453 666 HE3 LYS 83 2HE LYS 83 -10.710 0.754 -2.216 667 HZ1 LYS 83 3HZ LYS 83 -13.014 1.227 -4.024 668 HZ2 LYS 83 1HZ LYS 83 -13.049 0.149 -2.721 669 HZ3 LYS 83 2HZ LYS 83 -11.984 -0.115 -4.008 670 H LYS 84 H LYS 84 -11.750 5.531 2.569 671 HA LYS 84 HA LYS 84 -13.476 7.715 2.293 672 HB2 LYS 84 1HB LYS 84 -13.352 5.885 4.132 673 HB3 LYS 84 2HB LYS 84 -12.229 6.982 4.925 674 HG2 LYS 84 1HG LYS 84 -14.176 8.716 4.493 675 HG3 LYS 84 2HG LYS 84 -15.150 7.244 4.482 676 HD2 LYS 84 1HD LYS 84 -13.200 7.876 6.684 677 HD3 LYS 84 2HD LYS 84 -14.880 8.417 6.720 678 HE2 LYS 84 1HE LYS 84 -15.614 6.078 6.518 679 HE3 LYS 84 2HE LYS 84 -13.929 5.560 6.533 680 HZ1 LYS 84 3HZ LYS 84 -13.678 6.360 8.747 681 HZ2 LYS 84 1HZ LYS 84 -15.069 5.397 8.713 682 HZ3 LYS 84 2HZ LYS 84 -15.208 7.082 8.736 683 H GLU 85 H GLU 85 -10.175 7.538 3.578 684 HA GLU 85 HA GLU 85 -10.020 10.289 4.272 685 HB2 GLU 85 1HB GLU 85 -7.795 8.320 3.712 686 HB3 GLU 85 2HB GLU 85 -7.604 9.884 4.492 687 HG2 GLU 85 1HG GLU 85 -9.462 7.845 5.635 688 HG3 GLU 85 2HG GLU 85 -7.728 7.747 5.934 689 H ARG 86 H ARG 86 -8.748 8.432 1.515 690 HA ARG 86 HA ARG 86 -7.380 10.260 0.097 691 HB2 ARG 86 1HB ARG 86 -7.962 7.903 -0.604 692 HB3 ARG 86 2HB ARG 86 -9.491 8.535 -1.198 693 HG2 ARG 86 1HG ARG 86 -8.302 9.982 -2.755 694 HG3 ARG 86 2HG ARG 86 -6.760 9.375 -2.147 695 HD2 ARG 86 1HD ARG 86 -7.160 8.153 -4.110 696 HD3 ARG 86 2HD ARG 86 -7.599 7.062 -2.798 697 HE ARG 86 HE ARG 86 -9.952 8.208 -3.392 698 HH11 ARG 86 1HH1 ARG 86 -7.505 6.726 -5.377 699 HH12 ARG 86 2HH1 ARG 86 -8.627 6.181 -6.580 700 HH21 ARG 86 1HH2 ARG 86 -11.438 7.495 -4.970 701 HH22 ARG 86 2HH2 ARG 86 -10.864 6.620 -6.347 702 H SER 87 H SER 87 -10.924 9.909 -0.130 703 HA SER 87 HA SER 87 -11.178 12.346 -1.638 704 HB2 SER 87 1HB SER 87 -12.697 10.175 -1.612 705 HB3 SER 87 2HB SER 87 -13.531 11.050 -0.328 706 HG SER 87 HG SER 87 -14.520 11.925 -1.981 707 H GLU 88 H GLU 88 -12.142 14.274 -0.967 708 HA GLU 88 HA GLU 88 -12.063 14.707 1.941 709 HB2 GLU 88 1HB GLU 88 -11.738 17.093 1.399 710 HB3 GLU 88 2HB GLU 88 -10.476 16.076 0.716 711 HG2 GLU 88 1HG GLU 88 -11.937 16.107 -1.415 712 HG3 GLU 88 2HG GLU 88 -12.699 17.511 -0.668 713 H SER 89 H SER 89 -14.155 14.104 2.459 714 HA SER 89 HA SER 89 -16.469 14.127 2.403 715 HB2 SER 89 1HB SER 89 -15.554 16.959 2.851 716 HB3 SER 89 2HB SER 89 -17.264 16.537 2.903 717 HG SER 89 HG SER 89 -15.863 16.446 4.928 718 H GLY 90 H GLY 90 -15.519 13.988 -0.227 719 HA2 GLY 90 1HA GLY 90 -16.875 15.993 -1.813 720 HA3 GLY 90 2HA GLY 90 -16.004 14.591 -2.420 721 HA PRO 91 HA PRO 91 -20.786 14.020 -2.166 722 HB2 PRO 91 1HB PRO 91 -21.584 15.055 -4.545 723 HB3 PRO 91 2HB PRO 91 -21.539 16.000 -3.053 724 HG2 PRO 91 1HG PRO 91 -19.556 15.902 -5.294 725 HG3 PRO 91 2HG PRO 91 -20.170 17.308 -4.403 726 HD2 PRO 91 1HD PRO 91 -17.760 16.190 -3.879 727 HD3 PRO 91 2HD PRO 91 -18.751 16.956 -2.621 728 H SER 92 H SER 92 -20.310 11.841 -2.418 729 HA SER 92 HA SER 92 -19.886 9.852 -3.474 730 HB2 SER 92 1HB SER 92 -22.259 10.658 -4.196 731 HB3 SER 92 2HB SER 92 -21.506 10.913 -5.771 732 HG SER 92 HG SER 92 -21.709 8.490 -4.314 733 H SER 93 H SER 93 -17.757 11.524 -3.849 734 HA SER 93 HA SER 93 -17.077 11.386 -6.693 735 HB2 SER 93 1HB SER 93 -15.263 12.881 -6.201 736 HB3 SER 93 2HB SER 93 -16.694 13.504 -5.380 737 HG SER 93 HG SER 93 -15.712 12.023 -3.590 738 H GLY 94 H GLY 94 -17.262 8.912 -5.530 739 HA2 GLY 94 1HA GLY 94 -15.800 7.063 -6.009 740 HA3 GLY 94 2HA GLY 94 -14.439 8.073 -5.543 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.914 24.970 19.327 2 HA2 GLY 1 1HA GLY 1 3.922 23.797 20.722 3 HA3 GLY 1 2HA GLY 1 2.562 22.725 21.020 4 H SER 2 H SER 2 2.053 21.225 19.531 5 HA SER 2 HA SER 2 3.135 21.495 16.822 6 HB2 SER 2 1HB SER 2 4.763 20.162 18.133 7 HB3 SER 2 2HB SER 2 3.484 19.011 18.519 8 HG SER 2 HG SER 2 4.060 18.086 16.727 9 H SER 3 H SER 3 1.871 20.635 15.240 10 HA SER 3 HA SER 3 -0.802 19.831 16.019 11 HB2 SER 3 1HB SER 3 0.500 20.533 13.397 12 HB3 SER 3 2HB SER 3 -1.103 19.800 13.449 13 HG SER 3 HG SER 3 -0.626 21.998 15.099 14 H GLY 4 H GLY 4 -1.836 18.021 14.681 15 HA2 GLY 4 1HA GLY 4 -1.157 15.939 13.413 16 HA3 GLY 4 2HA GLY 4 0.013 15.717 14.707 17 H SER 5 H SER 5 -3.452 16.558 14.615 18 HA SER 5 HA SER 5 -4.112 15.208 16.972 19 HB2 SER 5 1HB SER 5 -5.641 16.300 14.661 20 HB3 SER 5 2HB SER 5 -6.478 15.169 15.723 21 HG SER 5 HG SER 5 -6.433 17.587 16.206 22 H SER 6 H SER 6 -4.509 14.166 13.590 23 HA SER 6 HA SER 6 -5.242 11.491 14.440 24 HB2 SER 6 1HB SER 6 -4.804 12.545 11.636 25 HB3 SER 6 2HB SER 6 -5.601 11.035 12.081 26 HG SER 6 HG SER 6 -6.910 12.795 13.406 27 H GLY 7 H GLY 7 -2.589 13.057 12.672 28 HA2 GLY 7 1HA GLY 7 -0.343 12.458 12.656 29 HA3 GLY 7 2HA GLY 7 -0.741 11.048 13.627 30 H ILE 8 H ILE 8 -2.633 9.823 12.013 31 HA ILE 8 HA ILE 8 -1.244 8.154 10.415 32 HB ILE 8 HB ILE 8 -4.016 9.191 9.808 33 HG12 ILE 8 1HG1 ILE 8 -3.219 6.684 11.292 34 HG13 ILE 8 2HG1 ILE 8 -3.607 8.198 12.100 35 HG21 ILE 8 1HG2 ILE 8 -4.271 7.593 8.229 36 HG22 ILE 8 2HG2 ILE 8 -2.520 7.756 8.104 37 HG23 ILE 8 3HG2 ILE 8 -3.217 6.449 9.060 38 HD11 ILE 8 3HD1 ILE 8 -5.634 7.332 10.191 39 HD12 ILE 8 1HD1 ILE 8 -5.377 6.213 11.528 40 HD13 ILE 8 2HD1 ILE 8 -5.800 7.894 11.854 41 H VAL 9 H VAL 9 -0.220 8.188 8.510 42 HA VAL 9 HA VAL 9 -0.517 10.594 6.831 43 HB VAL 9 HB VAL 9 1.693 10.500 7.866 44 HG11 VAL 9 1HG1 VAL 9 2.828 8.610 8.150 45 HG12 VAL 9 2HG1 VAL 9 1.455 7.742 7.459 46 HG13 VAL 9 3HG1 VAL 9 2.783 8.262 6.421 47 HG21 VAL 9 3HG2 VAL 9 1.421 10.119 4.918 48 HG22 VAL 9 1HG2 VAL 9 1.854 11.565 5.831 49 HG23 VAL 9 2HG2 VAL 9 3.028 10.265 5.627 50 H LEU 10 H LEU 10 -0.686 10.349 4.629 51 HA LEU 10 HA LEU 10 -2.039 8.303 3.515 52 HB2 LEU 10 1HB LEU 10 -0.027 10.183 2.360 53 HB3 LEU 10 2HB LEU 10 -0.725 8.923 1.345 54 HG LEU 10 HG LEU 10 -2.987 9.971 2.279 55 HD11 LEU 10 1HD1 LEU 10 -1.115 12.332 2.218 56 HD12 LEU 10 2HD1 LEU 10 -1.762 11.605 3.689 57 HD13 LEU 10 3HD1 LEU 10 -2.853 12.355 2.524 58 HD21 LEU 10 3HD2 LEU 10 -1.328 11.093 0.023 59 HD22 LEU 10 1HD2 LEU 10 -3.061 11.344 0.234 60 HD23 LEU 10 2HD2 LEU 10 -2.437 9.723 -0.064 61 H LEU 11 H LEU 11 1.419 8.403 4.087 62 HA LEU 11 HA LEU 11 2.093 6.103 2.577 63 HB2 LEU 11 1HB LEU 11 3.592 7.972 3.577 64 HB3 LEU 11 2HB LEU 11 3.600 6.956 5.017 65 HG LEU 11 HG LEU 11 4.362 5.726 2.415 66 HD11 LEU 11 1HD1 LEU 11 5.715 7.999 3.598 67 HD12 LEU 11 2HD1 LEU 11 5.982 7.205 2.047 68 HD13 LEU 11 3HD1 LEU 11 6.756 6.578 3.503 69 HD21 LEU 11 3HD2 LEU 11 6.002 5.205 4.736 70 HD22 LEU 11 1HD2 LEU 11 5.076 4.086 3.735 71 HD23 LEU 11 2HD2 LEU 11 4.293 4.925 5.075 72 H ARG 12 H ARG 12 1.198 6.600 5.960 73 HA ARG 12 HA ARG 12 1.749 4.317 7.223 74 HB2 ARG 12 1HB ARG 12 0.133 6.295 7.855 75 HB3 ARG 12 2HB ARG 12 -1.115 5.176 7.322 76 HG2 ARG 12 1HG ARG 12 -0.793 3.759 9.076 77 HG3 ARG 12 2HG ARG 12 0.912 4.181 9.247 78 HD2 ARG 12 1HD ARG 12 -1.382 6.003 9.961 79 HD3 ARG 12 2HD ARG 12 -0.520 4.986 11.115 80 HE ARG 12 HE ARG 12 1.142 6.789 9.582 81 HH11 ARG 12 1HH1 ARG 12 -0.693 6.287 12.498 82 HH12 ARG 12 2HH1 ARG 12 0.161 7.496 13.398 83 HH21 ARG 12 1HH2 ARG 12 2.273 8.384 10.757 84 HH22 ARG 12 2HH2 ARG 12 1.847 8.689 12.407 85 H GLY 13 H GLY 13 -0.601 4.635 4.631 86 HA2 GLY 13 1HA GLY 13 -2.084 2.383 4.714 87 HA3 GLY 13 2HA GLY 13 -1.403 2.990 3.213 88 H LEU 14 H LEU 14 1.267 2.497 3.527 89 HA LEU 14 HA LEU 14 1.483 -0.199 2.825 90 HB2 LEU 14 1HB LEU 14 3.677 1.570 3.890 91 HB3 LEU 14 2HB LEU 14 3.875 0.120 2.907 92 HG LEU 14 HG LEU 14 2.515 2.632 1.941 93 HD11 LEU 14 1HD1 LEU 14 4.882 2.394 0.571 94 HD12 LEU 14 2HD1 LEU 14 5.339 1.980 2.223 95 HD13 LEU 14 3HD1 LEU 14 4.558 3.524 1.886 96 HD21 LEU 14 3HD2 LEU 14 2.350 1.634 -0.105 97 HD22 LEU 14 1HD2 LEU 14 2.176 0.217 0.930 98 HD23 LEU 14 2HD2 LEU 14 3.729 0.571 0.176 99 H GLU 15 H GLU 15 2.823 1.336 5.756 100 HA GLU 15 HA GLU 15 3.576 -0.915 7.121 101 HB2 GLU 15 1HB GLU 15 2.463 1.696 8.133 102 HB3 GLU 15 2HB GLU 15 3.032 0.440 9.224 103 HG2 GLU 15 1HG GLU 15 5.232 0.532 8.023 104 HG3 GLU 15 2HG GLU 15 4.628 1.956 7.180 105 H CYS 16 H CYS 16 0.350 0.500 6.913 106 HA CYS 16 HA CYS 16 -1.079 -0.770 8.812 107 HB2 CYS 16 1HB CYS 16 -1.951 0.737 6.966 108 HB3 CYS 16 2HB CYS 16 -2.020 -0.693 5.944 109 HG CYS 16 HG CYS 16 -3.636 -1.858 8.273 110 H ILE 17 H ILE 17 -0.451 -2.210 5.608 111 HA ILE 17 HA ILE 17 -1.413 -4.781 6.424 112 HB ILE 17 HB ILE 17 -0.464 -5.548 4.230 113 HG12 ILE 17 1HG1 ILE 17 -0.037 -2.674 3.521 114 HG13 ILE 17 2HG1 ILE 17 1.250 -3.542 4.352 115 HG21 ILE 17 1HG2 ILE 17 -2.566 -3.566 4.672 116 HG22 ILE 17 2HG2 ILE 17 -1.993 -3.645 3.006 117 HG23 ILE 17 3HG2 ILE 17 -2.613 -5.096 3.794 118 HD11 ILE 17 3HD1 ILE 17 1.840 -3.894 2.182 119 HD12 ILE 17 1HD1 ILE 17 0.829 -5.311 2.459 120 HD13 ILE 17 2HD1 ILE 17 0.171 -3.909 1.612 121 H ASN 18 H ASN 18 -0.317 -6.487 7.203 122 HA ASN 18 HA ASN 18 2.204 -6.182 8.370 123 HB2 ASN 18 1HB ASN 18 2.088 -8.815 8.331 124 HB3 ASN 18 2HB ASN 18 0.990 -7.885 9.348 125 HD21 ASN 18 1HD2 ASN 18 -1.170 -7.810 8.854 126 HD22 ASN 18 2HD2 ASN 18 -1.898 -8.831 7.666 127 H LYS 19 H LYS 19 4.211 -7.250 7.879 128 HA LYS 19 HA LYS 19 5.274 -6.751 5.420 129 HB2 LYS 19 1HB LYS 19 6.712 -7.278 7.261 130 HB3 LYS 19 2HB LYS 19 6.028 -8.892 7.410 131 HG2 LYS 19 1HG LYS 19 8.030 -9.307 6.359 132 HG3 LYS 19 2HG LYS 19 6.914 -9.215 4.995 133 HD2 LYS 19 1HD LYS 19 7.560 -6.726 4.904 134 HD3 LYS 19 2HD LYS 19 8.923 -7.190 5.926 135 HE2 LYS 19 1HE LYS 19 8.290 -8.534 3.308 136 HE3 LYS 19 2HE LYS 19 9.369 -7.147 3.443 137 HZ1 LYS 19 3HZ LYS 19 10.154 -9.702 3.632 138 HZ2 LYS 19 1HZ LYS 19 9.949 -9.314 5.265 139 HZ3 LYS 19 2HZ LYS 19 10.996 -8.398 4.304 140 H HIS 20 H HIS 20 3.806 -9.796 6.493 141 HA HIS 20 HA HIS 20 4.302 -11.495 4.454 142 HB2 HIS 20 1HB HIS 20 2.940 -12.372 6.126 143 HB3 HIS 20 2HB HIS 20 1.810 -11.022 6.053 144 HD1 HIS 20 HD1 HIS 20 2.934 -13.469 3.358 145 HD2 HIS 20 HD2 HIS 20 -0.522 -12.072 5.193 146 HE1 HIS 20 HE1 HIS 20 1.032 -14.595 2.157 147 HE2 HIS 20 HE2 HIS 20 -1.051 -13.669 3.228 148 H TYR 21 H TYR 21 1.432 -9.372 4.429 149 HA TYR 21 HA TYR 21 0.849 -9.815 1.706 150 HB2 TYR 21 1HB TYR 21 -0.012 -7.752 3.712 151 HB3 TYR 21 2HB TYR 21 -0.499 -7.616 2.026 152 HD1 TYR 21 HD1 TYR 21 -1.363 -10.038 1.073 153 HD2 TYR 21 HD2 TYR 21 -1.586 -8.686 5.101 154 HE1 TYR 21 HE1 TYR 21 -3.230 -11.586 1.483 155 HE2 TYR 21 HE2 TYR 21 -3.453 -10.231 5.523 156 HH TYR 21 HH TYR 21 -5.325 -11.443 3.517 157 H PHE 22 H PHE 22 2.563 -7.195 3.368 158 HA PHE 22 HA PHE 22 2.965 -5.376 1.403 159 HB2 PHE 22 1HB PHE 22 3.877 -5.158 3.680 160 HB3 PHE 22 2HB PHE 22 5.093 -6.375 3.308 161 HD1 PHE 22 HD1 PHE 22 3.851 -3.415 1.413 162 HD2 PHE 22 HD2 PHE 22 7.156 -5.367 3.250 163 HE1 PHE 22 HE1 PHE 22 5.350 -1.652 0.578 164 HE2 PHE 22 HE2 PHE 22 8.661 -3.607 2.419 165 HZ PHE 22 HZ PHE 22 7.759 -1.746 1.083 166 H SER 23 H SER 23 4.784 -8.391 1.825 167 HA SER 23 HA SER 23 6.710 -8.127 -0.107 168 HB2 SER 23 1HB SER 23 6.491 -10.074 1.419 169 HB3 SER 23 2HB SER 23 5.131 -10.649 0.457 170 HG SER 23 HG SER 23 7.144 -11.626 -0.123 171 H LEU 24 H LEU 24 3.332 -9.078 -0.547 172 HA LEU 24 HA LEU 24 3.539 -9.623 -3.323 173 HB2 LEU 24 1HB LEU 24 1.207 -8.974 -1.537 174 HB3 LEU 24 2HB LEU 24 1.024 -9.325 -3.255 175 HG LEU 24 HG LEU 24 2.365 -11.518 -2.528 176 HD11 LEU 24 1HD1 LEU 24 0.647 -11.469 -0.169 177 HD12 LEU 24 2HD1 LEU 24 2.010 -10.353 -0.079 178 HD13 LEU 24 3HD1 LEU 24 2.293 -12.071 -0.365 179 HD21 LEU 24 3HD2 LEU 24 -0.103 -10.988 -3.436 180 HD22 LEU 24 1HD2 LEU 24 -0.505 -11.615 -1.836 181 HD23 LEU 24 2HD2 LEU 24 0.429 -12.602 -2.960 182 H PHE 25 H PHE 25 2.817 -6.733 -1.460 183 HA PHE 25 HA PHE 25 1.869 -5.112 -3.540 184 HB2 PHE 25 1HB PHE 25 1.754 -4.584 -1.089 185 HB3 PHE 25 2HB PHE 25 3.471 -4.194 -1.147 186 HD1 PHE 25 HD1 PHE 25 0.433 -3.370 -3.159 187 HD2 PHE 25 HD2 PHE 25 3.934 -1.958 -1.194 188 HE1 PHE 25 HE1 PHE 25 -0.118 -1.069 -3.838 189 HE2 PHE 25 HE2 PHE 25 3.389 0.344 -1.868 190 HZ PHE 25 HZ PHE 25 1.360 0.791 -3.191 191 H LYS 26 H LYS 26 5.159 -5.572 -2.292 192 HA LYS 26 HA LYS 26 6.467 -3.729 -3.924 193 HB2 LYS 26 1HB LYS 26 7.297 -6.206 -2.477 194 HB3 LYS 26 2HB LYS 26 8.419 -5.493 -3.628 195 HG2 LYS 26 1HG LYS 26 8.434 -3.420 -2.412 196 HG3 LYS 26 2HG LYS 26 7.177 -4.010 -1.322 197 HD2 LYS 26 1HD LYS 26 9.844 -5.373 -1.621 198 HD3 LYS 26 2HD LYS 26 9.558 -4.084 -0.449 199 HE2 LYS 26 1HE LYS 26 7.920 -5.372 0.691 200 HE3 LYS 26 2HE LYS 26 7.872 -6.574 -0.597 201 HZ1 LYS 26 3HZ LYS 26 10.500 -6.447 0.258 202 HZ2 LYS 26 1HZ LYS 26 9.395 -7.701 0.522 203 HZ3 LYS 26 2HZ LYS 26 9.562 -6.466 1.666 204 H SER 27 H SER 27 5.496 -7.053 -4.541 205 HA SER 27 HA SER 27 6.919 -7.440 -6.936 206 HB2 SER 27 1HB SER 27 5.751 -9.217 -5.554 207 HB3 SER 27 2HB SER 27 4.238 -8.668 -6.276 208 HG SER 27 HG SER 27 6.445 -9.392 -7.878 209 H LEU 28 H LEU 28 3.647 -6.222 -6.324 210 HA LEU 28 HA LEU 28 2.920 -5.920 -9.038 211 HB2 LEU 28 1HB LEU 28 1.884 -4.307 -6.718 212 HB3 LEU 28 2HB LEU 28 1.070 -4.636 -8.245 213 HG LEU 28 HG LEU 28 1.741 -6.793 -6.256 214 HD11 LEU 28 1HD1 LEU 28 -0.147 -4.712 -5.945 215 HD12 LEU 28 2HD1 LEU 28 0.079 -6.146 -4.945 216 HD13 LEU 28 3HD1 LEU 28 -1.037 -6.190 -6.309 217 HD21 LEU 28 3HD2 LEU 28 -0.462 -7.567 -7.640 218 HD22 LEU 28 1HD2 LEU 28 1.192 -8.007 -8.062 219 HD23 LEU 28 2HD2 LEU 28 0.410 -6.647 -8.867 220 H LEU 29 H LEU 29 4.702 -3.916 -6.811 221 HA LEU 29 HA LEU 29 4.637 -1.620 -8.592 222 HB2 LEU 29 1HB LEU 29 5.650 -2.162 -5.847 223 HB3 LEU 29 2HB LEU 29 6.363 -0.830 -6.756 224 HG LEU 29 HG LEU 29 4.635 0.008 -5.300 225 HD11 LEU 29 1HD1 LEU 29 4.818 0.505 -7.999 226 HD12 LEU 29 2HD1 LEU 29 3.932 1.475 -6.821 227 HD13 LEU 29 3HD1 LEU 29 3.091 0.236 -7.754 228 HD21 LEU 29 3HD2 LEU 29 3.115 -1.613 -4.807 229 HD22 LEU 29 1HD2 LEU 29 3.088 -2.245 -6.453 230 HD23 LEU 29 2HD2 LEU 29 2.213 -0.765 -6.064 231 H ALA 30 H ALA 30 6.682 -4.303 -7.834 232 HA ALA 30 HA ALA 30 9.210 -3.676 -8.363 233 HB1 ALA 30 3HB ALA 30 7.867 -6.003 -8.399 234 HB2 ALA 30 1HB ALA 30 8.269 -5.858 -10.110 235 HB3 ALA 30 2HB ALA 30 9.551 -5.843 -8.898 236 H ARG 31 H ARG 31 6.806 -4.101 -10.962 237 HA ARG 31 HA ARG 31 8.495 -3.413 -13.087 238 HB2 ARG 31 1HB ARG 31 6.130 -2.663 -14.078 239 HB3 ARG 31 2HB ARG 31 6.590 -4.351 -13.907 240 HG2 ARG 31 1HG ARG 31 5.233 -3.061 -11.609 241 HG3 ARG 31 2HG ARG 31 4.269 -3.418 -13.044 242 HD2 ARG 31 1HD ARG 31 6.061 -5.534 -11.955 243 HD3 ARG 31 2HD ARG 31 4.554 -5.183 -11.108 244 HE ARG 31 HE ARG 31 3.735 -5.482 -13.653 245 HH11 ARG 31 1HH1 ARG 31 5.751 -7.426 -11.586 246 HH12 ARG 31 2HH1 ARG 31 5.296 -8.923 -12.332 247 HH21 ARG 31 1HH2 ARG 31 3.127 -7.445 -14.643 248 HH22 ARG 31 2HH2 ARG 31 3.804 -8.932 -14.071 249 H ASP 32 H ASP 32 6.103 -1.397 -11.377 250 HA ASP 32 HA ASP 32 6.693 0.998 -12.705 251 HB2 ASP 32 1HB ASP 32 5.372 0.295 -10.119 252 HB3 ASP 32 2HB ASP 32 5.797 1.979 -10.415 253 H LEU 33 H LEU 33 7.651 0.106 -9.383 254 HA LEU 33 HA LEU 33 9.619 2.170 -9.250 255 HB2 LEU 33 1HB LEU 33 9.238 -0.241 -7.480 256 HB3 LEU 33 2HB LEU 33 10.229 1.168 -7.109 257 HG LEU 33 HG LEU 33 7.234 1.235 -7.469 258 HD11 LEU 33 1HD1 LEU 33 8.724 1.444 -4.871 259 HD12 LEU 33 2HD1 LEU 33 8.117 -0.093 -5.486 260 HD13 LEU 33 3HD1 LEU 33 6.994 1.222 -5.136 261 HD21 LEU 33 3HD2 LEU 33 9.299 3.263 -7.195 262 HD22 LEU 33 1HD2 LEU 33 8.045 3.396 -5.962 263 HD23 LEU 33 2HD2 LEU 33 7.608 3.424 -7.671 264 H ASN 34 H ASN 34 9.633 -0.523 -11.037 265 HA ASN 34 HA ASN 34 11.210 -1.927 -11.911 266 HB2 ASN 34 1HB ASN 34 12.734 0.653 -11.552 267 HB3 ASN 34 2HB ASN 34 13.421 -0.742 -12.380 268 HD21 ASN 34 1HD2 ASN 34 12.965 1.805 -13.522 269 HD22 ASN 34 2HD2 ASN 34 11.811 1.613 -14.793 270 H LEU 35 H LEU 35 10.852 -2.368 -9.187 271 HA LEU 35 HA LEU 35 13.159 -2.358 -7.620 272 HB2 LEU 35 1HB LEU 35 10.939 -4.397 -7.599 273 HB3 LEU 35 2HB LEU 35 12.081 -4.087 -6.293 274 HG LEU 35 HG LEU 35 10.022 -2.120 -7.293 275 HD11 LEU 35 1HD1 LEU 35 9.745 -4.381 -5.582 276 HD12 LEU 35 2HD1 LEU 35 8.538 -3.178 -6.037 277 HD13 LEU 35 3HD1 LEU 35 9.559 -2.912 -4.624 278 HD21 LEU 35 3HD2 LEU 35 10.738 -1.310 -4.817 279 HD22 LEU 35 1HD2 LEU 35 11.456 -0.694 -6.306 280 HD23 LEU 35 2HD2 LEU 35 12.268 -1.970 -5.397 281 H GLU 36 H GLU 36 14.089 -4.593 -6.808 282 HA GLU 36 HA GLU 36 15.605 -5.637 -8.976 283 HB2 GLU 36 1HB GLU 36 15.453 -6.112 -6.044 284 HB3 GLU 36 2HB GLU 36 16.181 -7.373 -7.028 285 HG2 GLU 36 1HG GLU 36 17.090 -4.578 -7.439 286 HG3 GLU 36 2HG GLU 36 17.609 -5.423 -5.982 287 H ARG 37 H ARG 37 15.815 -8.001 -9.402 288 HA ARG 37 HA ARG 37 13.217 -9.085 -10.004 289 HB2 ARG 37 1HB ARG 37 14.497 -10.901 -11.099 290 HB3 ARG 37 2HB ARG 37 14.977 -9.301 -11.649 291 HG2 ARG 37 1HG ARG 37 17.034 -9.420 -10.648 292 HG3 ARG 37 2HG ARG 37 16.492 -10.569 -9.423 293 HD2 ARG 37 1HD ARG 37 17.705 -11.981 -10.735 294 HD3 ARG 37 2HD ARG 37 16.149 -12.106 -11.553 295 HE ARG 37 HE ARG 37 18.550 -10.835 -12.550 296 HH11 ARG 37 1HH1 ARG 37 15.105 -11.222 -12.869 297 HH12 ARG 37 2HH1 ARG 37 15.070 -10.712 -14.525 298 HH21 ARG 37 1HH2 ARG 37 18.517 -10.164 -14.729 299 HH22 ARG 37 2HH2 ARG 37 17.011 -10.111 -15.582 300 H ASP 38 H ASP 38 15.771 -9.686 -7.696 301 HA ASP 38 HA ASP 38 14.070 -11.730 -6.434 302 HB2 ASP 38 1HB ASP 38 17.019 -11.804 -6.990 303 HB3 ASP 38 2HB ASP 38 16.352 -12.693 -5.622 304 H ASN 39 H ASN 39 16.283 -9.060 -6.090 305 HA ASN 39 HA ASN 39 16.323 -9.164 -3.209 306 HB2 ASN 39 1HB ASN 39 17.450 -7.334 -5.293 307 HB3 ASN 39 2HB ASN 39 17.342 -6.772 -3.627 308 HD21 ASN 39 1HD2 ASN 39 18.142 -8.520 -2.019 309 HD22 ASN 39 2HD2 ASN 39 19.666 -9.231 -2.417 310 H GLN 40 H GLN 40 13.709 -9.154 -4.043 311 HA GLN 40 HA GLN 40 12.686 -6.445 -3.875 312 HB2 GLN 40 1HB GLN 40 11.544 -9.128 -4.456 313 HB3 GLN 40 2HB GLN 40 10.459 -7.919 -3.782 314 HG2 GLN 40 1HG GLN 40 10.914 -6.422 -5.609 315 HG3 GLN 40 2HG GLN 40 12.128 -7.527 -6.255 316 HE21 GLN 40 1HE2 GLN 40 11.138 -7.835 -8.206 317 HE22 GLN 40 2HE2 GLN 40 9.644 -8.681 -8.390 318 H GLU 41 H GLU 41 12.803 -9.364 -1.897 319 HA GLU 41 HA GLU 41 11.156 -8.401 0.195 320 HB2 GLU 41 1HB GLU 41 12.059 -10.258 1.505 321 HB3 GLU 41 2HB GLU 41 11.619 -10.785 -0.113 322 HG2 GLU 41 1HG GLU 41 14.069 -10.451 -0.712 323 HG3 GLU 41 2HG GLU 41 14.357 -10.340 1.023 324 H GLN 42 H GLN 42 14.667 -8.419 -0.290 325 HA GLN 42 HA GLN 42 15.586 -7.532 2.117 326 HB2 GLN 42 1HB GLN 42 17.449 -6.508 0.935 327 HB3 GLN 42 2HB GLN 42 17.028 -8.043 0.187 328 HG2 GLN 42 1HG GLN 42 16.277 -7.070 -1.727 329 HG3 GLN 42 2HG GLN 42 15.794 -5.583 -0.914 330 HE21 GLN 42 1HE2 GLN 42 16.892 -4.750 -2.910 331 HE22 GLN 42 2HE2 GLN 42 18.587 -4.431 -2.799 332 H TYR 43 H TYR 43 13.688 -5.770 -0.184 333 HA TYR 43 HA TYR 43 14.249 -3.162 0.834 334 HB2 TYR 43 1HB TYR 43 12.148 -4.298 -0.990 335 HB3 TYR 43 2HB TYR 43 12.043 -2.634 -0.426 336 HD1 TYR 43 HD1 TYR 43 14.314 -1.262 -0.722 337 HD2 TYR 43 HD2 TYR 43 13.211 -4.683 -2.999 338 HE1 TYR 43 HE1 TYR 43 15.843 -0.554 -2.515 339 HE2 TYR 43 HE2 TYR 43 14.737 -3.986 -4.797 340 HH TYR 43 HH TYR 43 16.840 -2.552 -4.974 341 H THR 44 H THR 44 12.543 -1.764 1.793 342 HA THR 44 HA THR 44 10.683 -3.228 3.530 343 HB THR 44 HB THR 44 11.289 -1.901 5.469 344 HG1 THR 44 HG1 THR 44 12.378 -0.114 5.207 345 HG21 THR 44 3HG2 THR 44 13.996 -2.735 4.665 346 HG22 THR 44 1HG2 THR 44 12.747 -3.965 4.482 347 HG23 THR 44 2HG2 THR 44 13.026 -3.219 6.056 348 H THR 45 H THR 45 8.981 -1.882 4.432 349 HA THR 45 HA THR 45 7.576 -0.397 2.646 350 HB THR 45 HB THR 45 6.384 0.651 4.550 351 HG1 THR 45 HG1 THR 45 7.990 1.004 6.038 352 HG21 THR 45 3HG2 THR 45 6.212 -1.765 5.812 353 HG22 THR 45 1HG2 THR 45 6.869 -2.225 4.243 354 HG23 THR 45 2HG2 THR 45 5.350 -1.335 4.336 355 H ILE 46 H ILE 46 10.133 0.749 4.770 356 HA ILE 46 HA ILE 46 9.769 3.510 4.383 357 HB ILE 46 HB ILE 46 12.258 1.940 5.043 358 HG12 ILE 46 1HG1 ILE 46 10.465 1.854 6.725 359 HG13 ILE 46 2HG1 ILE 46 11.855 2.756 7.317 360 HG21 ILE 46 1HG2 ILE 46 12.700 4.161 3.943 361 HG22 ILE 46 2HG2 ILE 46 11.901 4.914 5.322 362 HG23 ILE 46 3HG2 ILE 46 13.371 3.970 5.563 363 HD11 ILE 46 3HD1 ILE 46 10.075 4.577 6.063 364 HD12 ILE 46 1HD1 ILE 46 9.157 3.568 7.181 365 HD13 ILE 46 2HD1 ILE 46 10.552 4.481 7.758 366 H GLN 47 H GLN 47 12.437 1.580 3.020 367 HA GLN 47 HA GLN 47 13.267 3.370 1.109 368 HB2 GLN 47 1HB GLN 47 13.248 0.354 0.904 369 HB3 GLN 47 2HB GLN 47 14.206 1.430 -0.104 370 HG2 GLN 47 1HG GLN 47 15.140 2.286 2.165 371 HG3 GLN 47 2HG GLN 47 14.530 0.751 2.780 372 HE21 GLN 47 1HE2 GLN 47 15.754 -0.997 2.552 373 HE22 GLN 47 2HE2 GLN 47 17.176 -1.105 1.576 374 H ILE 48 H ILE 48 10.768 0.876 0.797 375 HA ILE 48 HA ILE 48 10.201 1.297 -1.925 376 HB ILE 48 HB ILE 48 8.344 0.303 0.241 377 HG12 ILE 48 1HG1 ILE 48 10.404 -1.029 0.041 378 HG13 ILE 48 2HG1 ILE 48 8.999 -1.934 -0.513 379 HG21 ILE 48 1HG2 ILE 48 8.133 0.414 -2.738 380 HG22 ILE 48 2HG2 ILE 48 7.347 -0.886 -1.844 381 HG23 ILE 48 3HG2 ILE 48 6.922 0.793 -1.513 382 HD11 ILE 48 3HD1 ILE 48 10.429 -2.432 -2.190 383 HD12 ILE 48 1HD1 ILE 48 9.765 -0.938 -2.847 384 HD13 ILE 48 2HD1 ILE 48 11.325 -0.923 -2.026 385 H ALA 49 H ALA 49 8.905 2.773 1.008 386 HA ALA 49 HA ALA 49 6.786 4.199 -0.116 387 HB1 ALA 49 3HB ALA 49 8.295 4.258 2.374 388 HB2 ALA 49 1HB ALA 49 7.684 5.843 1.894 389 HB3 ALA 49 2HB ALA 49 6.570 4.488 2.087 390 H ASN 50 H ASN 50 9.923 5.615 0.832 391 HA ASN 50 HA ASN 50 9.802 8.057 -0.251 392 HB2 ASN 50 1HB ASN 50 12.113 6.119 -0.347 393 HB3 ASN 50 2HB ASN 50 12.268 7.801 -0.845 394 HD21 ASN 50 1HD2 ASN 50 11.719 5.638 1.824 395 HD22 ASN 50 2HD2 ASN 50 12.034 6.784 3.077 396 H MET 51 H MET 51 10.599 5.134 -2.112 397 HA MET 51 HA MET 51 10.966 6.353 -4.595 398 HB2 MET 51 1HB MET 51 9.950 3.590 -3.920 399 HB3 MET 51 2HB MET 51 10.400 4.103 -5.540 400 HG2 MET 51 1HG MET 51 12.668 4.705 -4.472 401 HG3 MET 51 2HG MET 51 12.138 3.668 -3.149 402 HE1 MET 51 3HE MET 51 13.326 0.761 -3.605 403 HE2 MET 51 1HE MET 51 11.853 1.546 -3.037 404 HE3 MET 51 2HE MET 51 11.768 0.334 -4.314 405 H MET 52 H MET 52 8.022 5.067 -3.092 406 HA MET 52 HA MET 52 6.329 5.579 -5.306 407 HB2 MET 52 1HB MET 52 5.708 5.228 -2.369 408 HB3 MET 52 2HB MET 52 4.486 5.321 -3.629 409 HG2 MET 52 1HG MET 52 5.693 3.348 -4.703 410 HG3 MET 52 2HG MET 52 6.525 3.179 -3.159 411 HE1 MET 52 3HE MET 52 2.141 2.663 -4.143 412 HE2 MET 52 1HE MET 52 3.459 3.284 -5.138 413 HE3 MET 52 2HE MET 52 3.280 1.546 -4.897 414 H GLU 53 H GLU 53 7.192 7.441 -2.432 415 HA GLU 53 HA GLU 53 5.359 9.489 -2.548 416 HB2 GLU 53 1HB GLU 53 8.201 9.327 -1.649 417 HB3 GLU 53 2HB GLU 53 7.439 10.908 -1.740 418 HG2 GLU 53 1HG GLU 53 5.569 9.892 -0.331 419 HG3 GLU 53 2HG GLU 53 6.695 8.571 -0.021 420 H GLU 54 H GLU 54 8.340 9.117 -4.413 421 HA GLU 54 HA GLU 54 7.886 11.617 -5.816 422 HB2 GLU 54 1HB GLU 54 9.966 10.841 -7.100 423 HB3 GLU 54 2HB GLU 54 10.162 11.238 -5.399 424 HG2 GLU 54 1HG GLU 54 10.184 8.918 -4.798 425 HG3 GLU 54 2HG GLU 54 9.791 8.445 -6.449 426 H LYS 55 H LYS 55 7.917 8.147 -6.536 427 HA LYS 55 HA LYS 55 7.412 8.293 -9.276 428 HB2 LYS 55 1HB LYS 55 8.064 6.229 -8.071 429 HB3 LYS 55 2HB LYS 55 6.464 6.171 -7.342 430 HG2 LYS 55 1HG LYS 55 6.157 4.724 -9.068 431 HG3 LYS 55 2HG LYS 55 5.691 6.230 -9.863 432 HD2 LYS 55 1HD LYS 55 7.806 6.415 -10.935 433 HD3 LYS 55 2HD LYS 55 8.490 5.117 -9.953 434 HE2 LYS 55 1HE LYS 55 8.003 4.289 -12.169 435 HE3 LYS 55 2HE LYS 55 6.917 3.534 -11.002 436 HZ1 LYS 55 3HZ LYS 55 6.056 5.960 -12.426 437 HZ2 LYS 55 1HZ LYS 55 5.119 4.708 -11.779 438 HZ3 LYS 55 2HZ LYS 55 5.982 4.463 -13.213 439 H PHE 56 H PHE 56 5.027 7.618 -6.707 440 HA PHE 56 HA PHE 56 2.947 8.695 -8.486 441 HB2 PHE 56 1HB PHE 56 2.309 7.070 -6.054 442 HB3 PHE 56 2HB PHE 56 1.411 7.222 -7.560 443 HD1 PHE 56 HD2 PHE 56 2.200 6.029 -9.588 444 HD2 PHE 56 HD1 PHE 56 3.947 5.394 -5.759 445 HE1 PHE 56 HE2 PHE 56 3.198 3.930 -10.395 446 HE2 PHE 56 HE1 PHE 56 4.948 3.294 -6.560 447 HZ PHE 56 HZ PHE 56 4.573 2.559 -8.881 448 HA PRO 57 HA PRO 57 3.367 11.894 -5.204 449 HB2 PRO 57 1HB PRO 57 2.815 13.970 -6.865 450 HB3 PRO 57 2HB PRO 57 4.435 13.285 -6.688 451 HG2 PRO 57 1HG PRO 57 2.393 12.793 -8.822 452 HG3 PRO 57 2HG PRO 57 4.142 13.044 -8.982 453 HD2 PRO 57 1HD PRO 57 3.008 10.587 -9.072 454 HD3 PRO 57 2HD PRO 57 4.633 10.865 -8.415 455 H ALA 58 H ALA 58 0.885 10.826 -7.301 456 HA ALA 58 HA ALA 58 -1.194 12.598 -6.672 457 HB1 ALA 58 3HB ALA 58 -2.627 10.473 -7.182 458 HB2 ALA 58 1HB ALA 58 -1.693 11.246 -8.462 459 HB3 ALA 58 2HB ALA 58 -1.077 9.793 -7.675 460 H ASP 59 H ASP 59 -0.574 9.358 -5.308 461 HA ASP 59 HA ASP 59 -1.950 10.241 -2.856 462 HB2 ASP 59 1HB ASP 59 -1.823 7.444 -4.005 463 HB3 ASP 59 2HB ASP 59 -2.628 7.905 -2.507 464 H SER 60 H SER 60 0.979 9.384 -4.166 465 HA SER 60 HA SER 60 3.035 9.024 -3.251 466 HB2 SER 60 1HB SER 60 1.744 9.225 -0.528 467 HB3 SER 60 2HB SER 60 3.429 9.531 -0.952 468 HG SER 60 HG SER 60 2.563 11.515 -0.875 469 H GLY 61 H GLY 61 0.998 6.888 -3.712 470 HA2 GLY 61 1HA GLY 61 1.670 4.562 -3.716 471 HA3 GLY 61 2HA GLY 61 2.339 4.806 -2.110 472 H LEU 62 H LEU 62 0.109 6.245 -1.038 473 HA LEU 62 HA LEU 62 -1.357 4.360 0.202 474 HB2 LEU 62 1HB LEU 62 -1.642 6.598 0.866 475 HB3 LEU 62 2HB LEU 62 -2.183 7.088 -0.739 476 HG LEU 62 HG LEU 62 -4.233 5.622 -0.299 477 HD11 LEU 62 1HD1 LEU 62 -4.581 4.676 1.698 478 HD12 LEU 62 2HD1 LEU 62 -3.932 6.059 2.577 479 HD13 LEU 62 3HD1 LEU 62 -2.838 4.845 1.913 480 HD21 LEU 62 3HD2 LEU 62 -4.282 7.834 1.653 481 HD22 LEU 62 1HD2 LEU 62 -5.355 7.487 0.297 482 HD23 LEU 62 2HD2 LEU 62 -3.793 8.255 0.011 483 H GLY 63 H GLY 63 -2.387 5.926 -2.836 484 HA2 GLY 63 1HA GLY 63 -4.714 4.474 -3.261 485 HA3 GLY 63 2HA GLY 63 -3.726 5.168 -4.539 486 H LYS 64 H LYS 64 -1.669 3.838 -4.999 487 HA LYS 64 HA LYS 64 -2.281 1.469 -6.168 488 HB2 LYS 64 1HB LYS 64 -0.057 2.847 -6.127 489 HB3 LYS 64 2HB LYS 64 0.393 1.736 -4.840 490 HG2 LYS 64 1HG LYS 64 1.278 0.830 -6.819 491 HG3 LYS 64 2HG LYS 64 -0.149 -0.140 -6.444 492 HD2 LYS 64 1HD LYS 64 -0.495 0.234 -8.675 493 HD3 LYS 64 2HD LYS 64 -1.337 1.630 -7.998 494 HE2 LYS 64 1HE LYS 64 0.842 2.895 -8.265 495 HE3 LYS 64 2HE LYS 64 1.409 1.529 -9.223 496 HZ1 LYS 64 3HZ LYS 64 -0.898 2.004 -10.423 497 HZ2 LYS 64 1HZ LYS 64 0.543 2.761 -10.883 498 HZ3 LYS 64 2HZ LYS 64 -0.555 3.571 -9.885 499 H LEU 65 H LEU 65 -1.448 1.979 -2.794 500 HA LEU 65 HA LEU 65 -1.237 -0.787 -2.130 501 HB2 LEU 65 1HB LEU 65 -0.257 1.181 -0.865 502 HB3 LEU 65 2HB LEU 65 -1.880 1.459 -0.236 503 HG LEU 65 HG LEU 65 -0.377 0.247 1.327 504 HD11 LEU 65 1HD1 LEU 65 -2.190 -0.693 2.204 505 HD12 LEU 65 2HD1 LEU 65 -2.345 -1.825 0.862 506 HD13 LEU 65 3HD1 LEU 65 -3.043 -0.211 0.737 507 HD21 LEU 65 3HD2 LEU 65 0.751 -1.039 -0.560 508 HD22 LEU 65 1HD2 LEU 65 -0.653 -2.107 -0.520 509 HD23 LEU 65 2HD2 LEU 65 0.370 -1.941 0.908 510 H ILE 66 H ILE 66 -3.763 1.659 -1.556 511 HA ILE 66 HA ILE 66 -5.654 0.254 -0.230 512 HB ILE 66 HB ILE 66 -6.040 2.174 -2.518 513 HG12 ILE 66 1HG1 ILE 66 -6.576 2.544 0.430 514 HG13 ILE 66 2HG1 ILE 66 -5.024 2.918 -0.312 515 HG21 ILE 66 1HG2 ILE 66 -8.013 0.834 -2.504 516 HG22 ILE 66 2HG2 ILE 66 -8.119 0.908 -0.746 517 HG23 ILE 66 3HG2 ILE 66 -8.400 2.359 -1.707 518 HD11 ILE 66 3HD1 ILE 66 -7.474 4.118 -1.481 519 HD12 ILE 66 1HD1 ILE 66 -6.858 4.759 0.042 520 HD13 ILE 66 2HD1 ILE 66 -5.831 4.754 -1.393 521 H GLU 67 H GLU 67 -5.324 0.255 -3.781 522 HA GLU 67 HA GLU 67 -7.331 -1.606 -4.320 523 HB2 GLU 67 1HB GLU 67 -4.793 -0.967 -5.825 524 HB3 GLU 67 2HB GLU 67 -6.053 -2.019 -6.454 525 HG2 GLU 67 1HG GLU 67 -7.615 -0.005 -6.011 526 HG3 GLU 67 2HG GLU 67 -6.119 0.926 -5.972 527 H PHE 68 H PHE 68 -3.845 -2.119 -3.847 528 HA PHE 68 HA PHE 68 -3.655 -4.813 -4.298 529 HB2 PHE 68 1HB PHE 68 -1.638 -3.713 -3.838 530 HB3 PHE 68 2HB PHE 68 -2.251 -3.016 -2.342 531 HD1 PHE 68 HD1 PHE 68 -1.583 -6.362 -3.849 532 HD2 PHE 68 HD2 PHE 68 -1.536 -3.923 -0.361 533 HE1 PHE 68 HE1 PHE 68 -0.562 -8.205 -2.578 534 HE2 PHE 68 HE2 PHE 68 -0.514 -5.761 0.915 535 HZ PHE 68 HZ PHE 68 -0.024 -7.905 -0.194 536 H CYS 69 H CYS 69 -5.146 -3.192 -1.608 537 HA CYS 69 HA CYS 69 -5.316 -5.537 0.048 538 HB2 CYS 69 1HB CYS 69 -6.425 -2.751 0.212 539 HB3 CYS 69 2HB CYS 69 -7.004 -4.006 1.302 540 HG CYS 69 HG CYS 69 -4.217 -2.226 1.432 541 H GLU 70 H GLU 70 -7.448 -3.795 -2.154 542 HA GLU 70 HA GLU 70 -9.876 -4.956 -1.627 543 HB2 GLU 70 1HB GLU 70 -8.621 -4.073 -4.212 544 HB3 GLU 70 2HB GLU 70 -10.250 -4.734 -4.171 545 HG2 GLU 70 1HG GLU 70 -9.591 -2.530 -2.297 546 HG3 GLU 70 2HG GLU 70 -9.788 -2.145 -4.007 547 H GLU 71 H GLU 71 -7.596 -6.138 -4.107 548 HA GLU 71 HA GLU 71 -8.761 -8.406 -4.940 549 HB2 GLU 71 1HB GLU 71 -6.663 -9.232 -5.539 550 HB3 GLU 71 2HB GLU 71 -6.400 -7.498 -5.441 551 HG2 GLU 71 1HG GLU 71 -5.479 -7.794 -3.174 552 HG3 GLU 71 2HG GLU 71 -5.671 -9.538 -3.354 553 H VAL 72 H VAL 72 -7.176 -7.981 -1.821 554 HA VAL 72 HA VAL 72 -7.715 -10.737 -1.062 555 HB VAL 72 HB VAL 72 -6.614 -8.621 0.767 556 HG11 VAL 72 1HG1 VAL 72 -5.372 -10.672 1.623 557 HG12 VAL 72 2HG1 VAL 72 -7.110 -10.607 1.926 558 HG13 VAL 72 3HG1 VAL 72 -6.477 -11.620 0.627 559 HG21 VAL 72 3HG2 VAL 72 -5.333 -8.562 -1.338 560 HG22 VAL 72 1HG2 VAL 72 -4.375 -9.159 0.017 561 HG23 VAL 72 2HG2 VAL 72 -5.017 -10.290 -1.174 562 HA PRO 73 HA PRO 73 -11.640 -9.700 0.718 563 HB2 PRO 73 1HB PRO 73 -12.048 -12.059 1.997 564 HB3 PRO 73 2HB PRO 73 -12.241 -11.867 0.251 565 HG2 PRO 73 1HG PRO 73 -9.927 -12.979 1.789 566 HG3 PRO 73 2HG PRO 73 -10.673 -13.584 0.298 567 HD2 PRO 73 1HD PRO 73 -8.378 -12.146 0.300 568 HD3 PRO 73 2HD PRO 73 -9.557 -12.064 -1.026 569 H ALA 74 H ALA 74 -8.886 -10.841 2.558 570 HA ALA 74 HA ALA 74 -10.051 -10.191 5.116 571 HB1 ALA 74 3HB ALA 74 -7.855 -11.721 4.214 572 HB2 ALA 74 1HB ALA 74 -7.220 -10.469 5.281 573 HB3 ALA 74 2HB ALA 74 -8.477 -11.565 5.856 574 H LEU 75 H LEU 75 -8.201 -8.572 2.697 575 HA LEU 75 HA LEU 75 -7.418 -6.434 4.526 576 HB2 LEU 75 1HB LEU 75 -6.851 -6.762 1.584 577 HB3 LEU 75 2HB LEU 75 -6.155 -5.542 2.649 578 HG LEU 75 HG LEU 75 -5.664 -8.517 2.770 579 HD11 LEU 75 1HD1 LEU 75 -3.736 -6.297 2.132 580 HD12 LEU 75 2HD1 LEU 75 -4.591 -7.228 0.902 581 HD13 LEU 75 3HD1 LEU 75 -3.473 -8.037 2.000 582 HD21 LEU 75 3HD2 LEU 75 -4.861 -6.257 4.567 583 HD22 LEU 75 1HD2 LEU 75 -3.865 -7.706 4.421 584 HD23 LEU 75 2HD2 LEU 75 -5.529 -7.834 4.991 585 H ARG 76 H ARG 76 -9.666 -7.131 1.958 586 HA ARG 76 HA ARG 76 -10.473 -4.822 0.903 587 HB2 ARG 76 1HB ARG 76 -12.004 -7.153 1.929 588 HB3 ARG 76 2HB ARG 76 -12.924 -5.719 1.498 589 HG2 ARG 76 1HG ARG 76 -12.016 -5.777 -0.749 590 HG3 ARG 76 2HG ARG 76 -11.020 -7.171 -0.326 591 HD2 ARG 76 1HD ARG 76 -12.966 -7.938 -1.508 592 HD3 ARG 76 2HD ARG 76 -13.092 -8.435 0.179 593 HE ARG 76 HE ARG 76 -14.401 -5.971 -0.160 594 HH11 ARG 76 1HH1 ARG 76 -14.733 -9.332 -1.005 595 HH12 ARG 76 2HH1 ARG 76 -16.463 -9.277 -1.078 596 HH21 ARG 76 1HH2 ARG 76 -16.678 -5.886 -0.253 597 HH22 ARG 76 2HH2 ARG 76 -17.568 -7.316 -0.651 598 H LYS 77 H LYS 77 -11.762 -5.888 4.057 599 HA LYS 77 HA LYS 77 -13.170 -3.674 4.783 600 HB2 LYS 77 1HB LYS 77 -13.125 -5.668 6.158 601 HB3 LYS 77 2HB LYS 77 -11.429 -5.406 6.544 602 HG2 LYS 77 1HG LYS 77 -11.880 -3.743 8.040 603 HG3 LYS 77 2HG LYS 77 -13.373 -3.266 7.227 604 HD2 LYS 77 1HD LYS 77 -14.555 -5.116 8.127 605 HD3 LYS 77 2HD LYS 77 -13.067 -5.880 8.689 606 HE2 LYS 77 1HE LYS 77 -12.738 -3.947 10.225 607 HE3 LYS 77 2HE LYS 77 -14.319 -3.342 9.732 608 HZ1 LYS 77 3HZ LYS 77 -14.465 -6.067 10.527 609 HZ2 LYS 77 1HZ LYS 77 -15.312 -4.731 11.126 610 HZ3 LYS 77 2HZ LYS 77 -13.794 -5.122 11.759 611 H ARG 78 H ARG 78 -9.678 -4.159 5.155 612 HA ARG 78 HA ARG 78 -9.163 -1.714 6.471 613 HB2 ARG 78 1HB ARG 78 -7.663 -3.821 6.193 614 HB3 ARG 78 2HB ARG 78 -7.158 -3.060 4.690 615 HG2 ARG 78 1HG ARG 78 -5.566 -2.483 6.348 616 HG3 ARG 78 2HG ARG 78 -6.529 -1.039 6.024 617 HD2 ARG 78 1HD ARG 78 -6.184 -1.302 8.410 618 HD3 ARG 78 2HD ARG 78 -7.888 -1.516 8.011 619 HE ARG 78 HE ARG 78 -6.443 -3.987 8.096 620 HH11 ARG 78 1HH1 ARG 78 -8.089 -1.597 10.019 621 HH12 ARG 78 2HH1 ARG 78 -8.463 -2.699 11.303 622 HH21 ARG 78 1HH2 ARG 78 -6.929 -5.446 9.780 623 HH22 ARG 78 2HH2 ARG 78 -7.802 -4.888 11.166 624 H ALA 79 H ALA 79 -9.136 -2.645 3.059 625 HA ALA 79 HA ALA 79 -8.055 -0.358 1.938 626 HB1 ALA 79 3HB ALA 79 -8.404 -1.610 0.140 627 HB2 ALA 79 1HB ALA 79 -9.539 -2.631 1.023 628 HB3 ALA 79 2HB ALA 79 -10.111 -1.174 0.207 629 H GLU 80 H GLU 80 -11.554 -1.045 2.166 630 HA GLU 80 HA GLU 80 -12.548 1.376 1.402 631 HB2 GLU 80 1HB GLU 80 -14.537 0.880 2.737 632 HB3 GLU 80 2HB GLU 80 -13.959 -0.559 1.908 633 HG2 GLU 80 1HG GLU 80 -13.140 -1.510 3.877 634 HG3 GLU 80 2HG GLU 80 -13.196 0.024 4.745 635 H ILE 81 H ILE 81 -11.236 0.512 4.552 636 HA ILE 81 HA ILE 81 -12.009 2.842 5.936 637 HB ILE 81 HB ILE 81 -9.647 1.024 6.419 638 HG12 ILE 81 1HG1 ILE 81 -12.221 1.097 7.974 639 HG13 ILE 81 2HG1 ILE 81 -12.075 0.131 6.510 640 HG21 ILE 81 1HG2 ILE 81 -10.710 2.451 8.714 641 HG22 ILE 81 2HG2 ILE 81 -9.044 2.263 8.171 642 HG23 ILE 81 3HG2 ILE 81 -10.055 3.533 7.485 643 HD11 ILE 81 3HD1 ILE 81 -11.488 -0.709 9.035 644 HD12 ILE 81 1HD1 ILE 81 -10.902 -1.452 7.548 645 HD13 ILE 81 2HD1 ILE 81 -9.898 -0.282 8.404 646 H LEU 82 H LEU 82 -9.073 2.033 4.123 647 HA LEU 82 HA LEU 82 -7.634 4.372 4.704 648 HB2 LEU 82 1HB LEU 82 -7.516 2.675 2.217 649 HB3 LEU 82 2HB LEU 82 -6.288 3.823 2.747 650 HG LEU 82 HG LEU 82 -7.061 1.397 4.353 651 HD11 LEU 82 1HD1 LEU 82 -5.736 1.424 1.868 652 HD12 LEU 82 2HD1 LEU 82 -5.909 0.080 2.995 653 HD13 LEU 82 3HD1 LEU 82 -4.508 1.146 3.103 654 HD21 LEU 82 3HD2 LEU 82 -5.888 3.376 5.421 655 HD22 LEU 82 1HD2 LEU 82 -4.507 2.982 4.396 656 HD23 LEU 82 2HD2 LEU 82 -5.091 1.810 5.578 657 H LYS 83 H LYS 83 -9.673 3.567 1.899 658 HA LYS 83 HA LYS 83 -9.420 5.896 0.453 659 HB2 LYS 83 1HB LYS 83 -11.901 4.210 0.831 660 HB3 LYS 83 2HB LYS 83 -11.687 5.410 -0.437 661 HG2 LYS 83 1HG LYS 83 -10.107 4.133 -1.557 662 HG3 LYS 83 2HG LYS 83 -9.749 3.152 -0.134 663 HD2 LYS 83 1HD LYS 83 -11.676 1.879 -0.372 664 HD3 LYS 83 2HD LYS 83 -12.485 3.105 -1.351 665 HE2 LYS 83 1HE LYS 83 -10.525 2.607 -3.023 666 HE3 LYS 83 2HE LYS 83 -10.435 1.084 -2.138 667 HZ1 LYS 83 3HZ LYS 83 -12.685 0.601 -2.698 668 HZ2 LYS 83 1HZ LYS 83 -11.887 1.024 -4.129 669 HZ3 LYS 83 2HZ LYS 83 -12.919 2.133 -3.377 670 H LYS 84 H LYS 84 -11.649 5.232 3.130 671 HA LYS 84 HA LYS 84 -13.262 7.383 3.200 672 HB2 LYS 84 1HB LYS 84 -12.925 5.499 4.945 673 HB3 LYS 84 2HB LYS 84 -11.799 6.612 5.710 674 HG2 LYS 84 1HG LYS 84 -14.524 7.595 5.043 675 HG3 LYS 84 2HG LYS 84 -14.324 6.511 6.422 676 HD2 LYS 84 1HD LYS 84 -12.578 8.050 7.301 677 HD3 LYS 84 2HD LYS 84 -12.950 9.160 5.979 678 HE2 LYS 84 1HE LYS 84 -14.136 9.897 7.920 679 HE3 LYS 84 2HE LYS 84 -15.308 9.219 6.790 680 HZ1 LYS 84 3HZ LYS 84 -14.444 8.222 9.393 681 HZ2 LYS 84 1HZ LYS 84 -14.792 7.067 8.208 682 HZ3 LYS 84 2HZ LYS 84 -15.975 8.183 8.674 683 H GLU 85 H GLU 85 -9.902 7.374 4.360 684 HA GLU 85 HA GLU 85 -9.940 10.174 4.984 685 HB2 GLU 85 1HB GLU 85 -7.588 8.294 4.706 686 HB3 GLU 85 2HB GLU 85 -7.550 9.894 5.434 687 HG2 GLU 85 1HG GLU 85 -8.676 9.214 7.321 688 HG3 GLU 85 2HG GLU 85 -9.413 7.833 6.512 689 H ARG 86 H ARG 86 -8.434 8.195 2.441 690 HA ARG 86 HA ARG 86 -6.989 9.910 0.996 691 HB2 ARG 86 1HB ARG 86 -7.345 7.671 0.201 692 HB3 ARG 86 2HB ARG 86 -9.055 7.980 -0.065 693 HG2 ARG 86 1HG ARG 86 -8.594 9.415 -1.903 694 HG3 ARG 86 2HG ARG 86 -6.865 9.412 -1.546 695 HD2 ARG 86 1HD ARG 86 -6.648 7.142 -2.190 696 HD3 ARG 86 2HD ARG 86 -8.396 6.916 -2.236 697 HE ARG 86 HE ARG 86 -7.423 8.906 -4.073 698 HH11 ARG 86 1HH1 ARG 86 -8.082 5.523 -3.586 699 HH12 ARG 86 2HH1 ARG 86 -8.250 5.178 -5.276 700 HH21 ARG 86 1HH2 ARG 86 -7.641 8.465 -6.301 701 HH22 ARG 86 2HH2 ARG 86 -7.997 6.852 -6.819 702 H SER 87 H SER 87 -10.539 9.744 0.798 703 HA SER 87 HA SER 87 -10.875 11.806 -1.067 704 HB2 SER 87 1HB SER 87 -12.576 10.065 -0.042 705 HB3 SER 87 2HB SER 87 -12.914 11.381 1.081 706 HG SER 87 HG SER 87 -13.158 12.685 -0.927 707 H GLU 88 H GLU 88 -9.975 13.753 -0.792 708 HA GLU 88 HA GLU 88 -10.317 15.089 1.811 709 HB2 GLU 88 1HB GLU 88 -8.260 15.610 -0.343 710 HB3 GLU 88 2HB GLU 88 -8.396 16.495 1.169 711 HG2 GLU 88 1HG GLU 88 -8.052 13.536 1.226 712 HG3 GLU 88 2HG GLU 88 -6.661 14.573 0.917 713 H SER 89 H SER 89 -10.554 15.491 -1.684 714 HA SER 89 HA SER 89 -11.977 18.032 -1.266 715 HB2 SER 89 1HB SER 89 -11.520 18.488 -3.644 716 HB3 SER 89 2HB SER 89 -10.030 18.182 -2.753 717 HG SER 89 HG SER 89 -9.845 16.230 -3.703 718 H GLY 90 H GLY 90 -12.130 14.984 -3.085 719 HA2 GLY 90 1HA GLY 90 -14.738 14.348 -2.687 720 HA3 GLY 90 2HA GLY 90 -14.813 15.508 -4.004 721 HA PRO 91 HA PRO 91 -13.740 11.064 -5.411 722 HB2 PRO 91 1HB PRO 91 -16.201 10.253 -6.221 723 HB3 PRO 91 2HB PRO 91 -15.584 9.967 -4.590 724 HG2 PRO 91 1HG PRO 91 -17.449 12.097 -5.562 725 HG3 PRO 91 2HG PRO 91 -17.541 11.119 -4.086 726 HD2 PRO 91 1HD PRO 91 -16.620 13.665 -4.091 727 HD3 PRO 91 2HD PRO 91 -16.009 12.432 -2.971 728 H SER 92 H SER 92 -16.072 13.416 -6.678 729 HA SER 92 HA SER 92 -14.917 13.001 -9.359 730 HB2 SER 92 1HB SER 92 -17.737 13.890 -8.711 731 HB3 SER 92 2HB SER 92 -17.075 13.605 -10.320 732 HG SER 92 HG SER 92 -17.122 11.479 -9.986 733 H SER 93 H SER 93 -14.462 14.805 -10.604 734 HA SER 93 HA SER 93 -14.624 17.391 -9.200 735 HB2 SER 93 1HB SER 93 -12.368 16.080 -10.636 736 HB3 SER 93 2HB SER 93 -12.526 17.829 -10.793 737 HG SER 93 HG SER 93 -11.875 18.048 -8.808 738 H GLY 94 H GLY 94 -16.158 18.557 -10.167 739 HA2 GLY 94 1HA GLY 94 -15.950 19.006 -13.043 740 HA3 GLY 94 2HA GLY 94 -17.469 18.344 -12.458 Start of MODEL 5 1 H1 GLY 1 H GLY 1 10.578 22.044 17.081 2 HA2 GLY 1 1HA GLY 1 8.623 20.781 18.125 3 HA3 GLY 1 2HA GLY 1 8.758 20.639 16.379 4 H SER 2 H SER 2 9.189 18.687 15.474 5 HA SER 2 HA SER 2 9.258 16.418 15.311 6 HB2 SER 2 1HB SER 2 11.099 16.793 17.681 7 HB3 SER 2 2HB SER 2 10.903 15.269 16.816 8 HG SER 2 HG SER 2 11.605 16.380 14.918 9 H SER 3 H SER 3 6.970 17.265 16.481 10 HA SER 3 HA SER 3 6.434 15.112 18.401 11 HB2 SER 3 1HB SER 3 6.708 17.249 19.652 12 HB3 SER 3 2HB SER 3 5.385 17.935 18.708 13 HG SER 3 HG SER 3 5.280 15.771 20.534 14 H GLY 4 H GLY 4 4.938 13.838 17.546 15 HA2 GLY 4 1HA GLY 4 3.018 14.987 15.638 16 HA3 GLY 4 2HA GLY 4 3.441 13.286 15.764 17 H SER 5 H SER 5 0.805 14.581 15.773 18 HA SER 5 HA SER 5 -0.132 13.595 18.386 19 HB2 SER 5 1HB SER 5 -1.938 15.269 18.297 20 HB3 SER 5 2HB SER 5 -0.351 16.039 18.275 21 HG SER 5 HG SER 5 -0.668 15.954 15.873 22 H SER 6 H SER 6 -1.137 14.255 15.036 23 HA SER 6 HA SER 6 -3.443 12.625 15.115 24 HB2 SER 6 1HB SER 6 -3.370 12.783 12.637 25 HB3 SER 6 2HB SER 6 -3.179 14.353 13.417 26 HG SER 6 HG SER 6 -1.209 12.748 12.182 27 H GLY 7 H GLY 7 -0.076 11.950 14.538 28 HA2 GLY 7 1HA GLY 7 1.057 9.966 14.304 29 HA3 GLY 7 2HA GLY 7 -0.384 9.176 14.926 30 H ILE 8 H ILE 8 -2.009 8.493 13.451 31 HA ILE 8 HA ILE 8 -1.309 7.049 11.319 32 HB ILE 8 HB ILE 8 -3.823 8.719 11.454 33 HG12 ILE 8 1HG1 ILE 8 -4.629 6.256 12.105 34 HG13 ILE 8 2HG1 ILE 8 -2.965 6.137 12.666 35 HG21 ILE 8 1HG2 ILE 8 -2.993 6.460 9.668 36 HG22 ILE 8 2HG2 ILE 8 -4.693 6.769 10.020 37 HG23 ILE 8 3HG2 ILE 8 -3.715 8.010 9.238 38 HD11 ILE 8 3HD1 ILE 8 -4.348 8.569 13.512 39 HD12 ILE 8 1HD1 ILE 8 -5.044 7.073 14.132 40 HD13 ILE 8 2HD1 ILE 8 -3.347 7.448 14.432 41 H VAL 9 H VAL 9 -0.911 7.270 9.150 42 HA VAL 9 HA VAL 9 -1.125 9.856 7.863 43 HB VAL 9 HB VAL 9 1.095 9.891 9.038 44 HG11 VAL 9 1HG1 VAL 9 2.792 8.426 8.557 45 HG12 VAL 9 2HG1 VAL 9 1.397 7.354 8.428 46 HG13 VAL 9 3HG1 VAL 9 2.139 8.017 6.971 47 HG21 VAL 9 3HG2 VAL 9 1.266 11.428 7.409 48 HG22 VAL 9 1HG2 VAL 9 2.287 10.231 6.611 49 HG23 VAL 9 2HG2 VAL 9 0.579 10.355 6.192 50 H LEU 10 H LEU 10 -1.243 9.719 5.653 51 HA LEU 10 HA LEU 10 -2.195 7.509 4.409 52 HB2 LEU 10 1HB LEU 10 -0.407 9.574 3.134 53 HB3 LEU 10 2HB LEU 10 -1.514 8.498 2.282 54 HG LEU 10 HG LEU 10 -2.534 10.436 4.328 55 HD11 LEU 10 1HD1 LEU 10 -1.474 11.023 1.636 56 HD12 LEU 10 2HD1 LEU 10 -1.624 12.064 3.052 57 HD13 LEU 10 3HD1 LEU 10 -3.033 11.740 2.043 58 HD21 LEU 10 3HD2 LEU 10 -4.071 8.732 3.580 59 HD22 LEU 10 1HD2 LEU 10 -3.722 9.112 1.893 60 HD23 LEU 10 2HD2 LEU 10 -4.552 10.292 2.909 61 H LEU 11 H LEU 11 1.160 8.256 5.049 62 HA LEU 11 HA LEU 11 2.324 6.331 3.344 63 HB2 LEU 11 1HB LEU 11 3.352 8.328 4.701 64 HB3 LEU 11 2HB LEU 11 3.593 7.091 5.933 65 HG LEU 11 HG LEU 11 5.552 7.602 4.394 66 HD11 LEU 11 1HD1 LEU 11 4.505 5.071 5.340 67 HD12 LEU 11 2HD1 LEU 11 6.149 5.704 5.389 68 HD13 LEU 11 3HD1 LEU 11 5.568 4.875 3.945 69 HD21 LEU 11 3HD2 LEU 11 4.409 5.735 2.415 70 HD22 LEU 11 1HD2 LEU 11 5.510 7.095 2.194 71 HD23 LEU 11 2HD2 LEU 11 3.781 7.384 2.389 72 H ARG 12 H ARG 12 1.467 6.231 6.791 73 HA ARG 12 HA ARG 12 2.410 3.800 7.552 74 HB2 ARG 12 1HB ARG 12 1.122 5.369 8.993 75 HB3 ARG 12 2HB ARG 12 -0.356 4.828 8.207 76 HG2 ARG 12 1HG ARG 12 -0.333 2.792 9.253 77 HG3 ARG 12 2HG ARG 12 1.419 2.800 9.465 78 HD2 ARG 12 1HD ARG 12 1.322 4.132 11.341 79 HD3 ARG 12 2HD ARG 12 -0.228 4.838 10.886 80 HE ARG 12 HE ARG 12 -0.525 2.077 11.414 81 HH11 ARG 12 1HH1 ARG 12 -0.023 5.128 13.012 82 HH12 ARG 12 2HH1 ARG 12 -0.782 4.629 14.488 83 HH21 ARG 12 1HH2 ARG 12 -1.527 1.407 13.351 84 HH22 ARG 12 2HH2 ARG 12 -1.636 2.512 14.680 85 H GLY 13 H GLY 13 -0.171 4.430 5.310 86 HA2 GLY 13 1HA GLY 13 -1.731 2.252 5.213 87 HA3 GLY 13 2HA GLY 13 -1.070 2.963 3.748 88 H LEU 14 H LEU 14 1.695 2.255 4.542 89 HA LEU 14 HA LEU 14 1.673 -0.423 3.452 90 HB2 LEU 14 1HB LEU 14 4.013 1.271 4.311 91 HB3 LEU 14 2HB LEU 14 4.078 -0.186 3.323 92 HG LEU 14 HG LEU 14 2.673 2.333 2.454 93 HD11 LEU 14 1HD1 LEU 14 5.420 1.470 1.595 94 HD12 LEU 14 2HD1 LEU 14 5.150 2.621 2.902 95 HD13 LEU 14 3HD1 LEU 14 4.596 2.995 1.270 96 HD21 LEU 14 3HD2 LEU 14 2.942 1.309 0.220 97 HD22 LEU 14 1HD2 LEU 14 1.941 0.341 1.303 98 HD23 LEU 14 2HD2 LEU 14 3.611 -0.131 0.989 99 H GLU 15 H GLU 15 2.922 1.139 6.400 100 HA GLU 15 HA GLU 15 3.889 -1.161 7.649 101 HB2 GLU 15 1HB GLU 15 2.831 1.430 8.769 102 HB3 GLU 15 2HB GLU 15 3.502 0.166 9.790 103 HG2 GLU 15 1HG GLU 15 5.614 0.315 8.511 104 HG3 GLU 15 2HG GLU 15 4.931 1.667 7.611 105 H CYS 16 H CYS 16 0.657 -0.019 7.221 106 HA CYS 16 HA CYS 16 -0.680 -1.226 9.329 107 HB2 CYS 16 1HB CYS 16 -1.425 -0.430 6.559 108 HB3 CYS 16 2HB CYS 16 -2.533 -1.485 7.427 109 HG CYS 16 HG CYS 16 -3.685 0.859 7.936 110 H ILE 17 H ILE 17 -0.263 -2.576 6.051 111 HA ILE 17 HA ILE 17 -1.210 -5.148 6.751 112 HB ILE 17 HB ILE 17 -0.049 -5.849 4.593 113 HG12 ILE 17 1HG1 ILE 17 0.302 -2.870 4.243 114 HG13 ILE 17 2HG1 ILE 17 1.615 -3.938 4.727 115 HG21 ILE 17 1HG2 ILE 17 -1.651 -4.304 3.228 116 HG22 ILE 17 2HG2 ILE 17 -2.309 -5.489 4.354 117 HG23 ILE 17 3HG2 ILE 17 -2.199 -3.794 4.824 118 HD11 ILE 17 3HD1 ILE 17 1.992 -3.928 2.504 119 HD12 ILE 17 1HD1 ILE 17 0.813 -5.238 2.548 120 HD13 ILE 17 2HD1 ILE 17 0.304 -3.608 2.105 121 H ASN 18 H ASN 18 0.063 -7.152 6.663 122 HA ASN 18 HA ASN 18 2.457 -6.882 8.278 123 HB2 ASN 18 1HB ASN 18 0.523 -8.595 8.600 124 HB3 ASN 18 2HB ASN 18 1.336 -9.502 7.329 125 HD21 ASN 18 1HD2 ASN 18 1.024 -9.265 10.541 126 HD22 ASN 18 2HD2 ASN 18 2.556 -9.883 11.049 127 H LYS 19 H LYS 19 4.501 -7.551 7.711 128 HA LYS 19 HA LYS 19 5.578 -7.095 5.316 129 HB2 LYS 19 1HB LYS 19 6.334 -9.359 7.170 130 HB3 LYS 19 2HB LYS 19 7.337 -8.805 5.834 131 HG2 LYS 19 1HG LYS 19 6.433 -6.889 7.943 132 HG3 LYS 19 2HG LYS 19 7.821 -7.947 8.217 133 HD2 LYS 19 1HD LYS 19 8.583 -7.037 5.880 134 HD3 LYS 19 2HD LYS 19 7.486 -5.710 6.267 135 HE2 LYS 19 1HE LYS 19 8.776 -4.971 8.006 136 HE3 LYS 19 2HE LYS 19 9.430 -6.574 8.344 137 HZ1 LYS 19 3HZ LYS 19 10.142 -5.149 5.860 138 HZ2 LYS 19 1HZ LYS 19 10.983 -6.385 6.654 139 HZ3 LYS 19 2HZ LYS 19 10.961 -4.824 7.305 140 H HIS 20 H HIS 20 4.042 -10.152 6.224 141 HA HIS 20 HA HIS 20 4.614 -11.743 4.080 142 HB2 HIS 20 1HB HIS 20 3.302 -12.613 5.884 143 HB3 HIS 20 2HB HIS 20 2.013 -11.451 5.588 144 HD1 HIS 20 HD1 HIS 20 3.725 -14.208 3.584 145 HD2 HIS 20 HD2 HIS 20 -0.040 -12.587 4.264 146 HE1 HIS 20 HE1 HIS 20 2.133 -15.609 2.229 147 HE2 HIS 20 HE2 HIS 20 -0.126 -14.556 2.590 148 H TYR 21 H TYR 21 1.872 -9.471 4.267 149 HA TYR 21 HA TYR 21 1.146 -9.846 1.534 150 HB2 TYR 21 1HB TYR 21 0.303 -7.987 3.722 151 HB3 TYR 21 2HB TYR 21 -0.163 -7.624 2.064 152 HD1 TYR 21 HD1 TYR 21 -1.227 -9.681 0.762 153 HD2 TYR 21 HD2 TYR 21 -1.131 -9.270 4.996 154 HE1 TYR 21 HE1 TYR 21 -3.125 -11.235 0.950 155 HE2 TYR 21 HE2 TYR 21 -3.028 -10.824 5.196 156 HH TYR 21 HH TYR 21 -4.438 -12.379 2.335 157 H PHE 22 H PHE 22 2.926 -7.353 3.307 158 HA PHE 22 HA PHE 22 3.252 -5.401 1.443 159 HB2 PHE 22 1HB PHE 22 4.219 -5.281 3.691 160 HB3 PHE 22 2HB PHE 22 5.407 -6.505 3.258 161 HD1 PHE 22 HD1 PHE 22 4.211 -3.492 1.425 162 HD2 PHE 22 HD2 PHE 22 7.477 -5.493 3.282 163 HE1 PHE 22 HE1 PHE 22 5.735 -1.727 0.639 164 HE2 PHE 22 HE2 PHE 22 9.006 -3.731 2.500 165 HZ PHE 22 HZ PHE 22 8.135 -1.844 1.178 166 H SER 23 H SER 23 5.240 -8.341 1.703 167 HA SER 23 HA SER 23 7.061 -7.967 -0.277 168 HB2 SER 23 1HB SER 23 6.880 -10.001 1.158 169 HB3 SER 23 2HB SER 23 5.545 -10.553 0.145 170 HG SER 23 HG SER 23 8.267 -10.236 -0.530 171 H LEU 24 H LEU 24 3.785 -9.281 -0.755 172 HA LEU 24 HA LEU 24 3.884 -9.612 -3.509 173 HB2 LEU 24 1HB LEU 24 1.576 -8.895 -1.714 174 HB3 LEU 24 2HB LEU 24 1.393 -9.313 -3.416 175 HG LEU 24 HG LEU 24 2.646 -11.505 -2.679 176 HD11 LEU 24 1HD1 LEU 24 3.050 -11.646 -0.501 177 HD12 LEU 24 2HD1 LEU 24 1.307 -11.733 -0.246 178 HD13 LEU 24 3HD1 LEU 24 2.131 -10.176 -0.175 179 HD21 LEU 24 3HD2 LEU 24 0.662 -12.473 -3.033 180 HD22 LEU 24 1HD2 LEU 24 0.053 -10.833 -3.256 181 HD23 LEU 24 2HD2 LEU 24 -0.096 -11.622 -1.686 182 H PHE 25 H PHE 25 2.782 -6.779 -1.658 183 HA PHE 25 HA PHE 25 2.006 -5.125 -3.705 184 HB2 PHE 25 1HB PHE 25 1.923 -4.667 -1.207 185 HB3 PHE 25 2HB PHE 25 3.601 -4.152 -1.335 186 HD1 PHE 25 HD1 PHE 25 0.602 -3.571 -3.475 187 HD2 PHE 25 HD2 PHE 25 3.726 -1.871 -1.139 188 HE1 PHE 25 HE1 PHE 25 -0.145 -1.319 -4.124 189 HE2 PHE 25 HE2 PHE 25 2.985 0.385 -1.783 190 HZ PHE 25 HZ PHE 25 1.047 0.664 -3.277 191 H LYS 26 H LYS 26 5.287 -5.657 -2.487 192 HA LYS 26 HA LYS 26 6.575 -3.754 -4.112 193 HB2 LYS 26 1HB LYS 26 7.461 -6.189 -2.615 194 HB3 LYS 26 2HB LYS 26 8.578 -5.419 -3.736 195 HG2 LYS 26 1HG LYS 26 8.323 -3.305 -2.513 196 HG3 LYS 26 2HG LYS 26 7.247 -4.112 -1.371 197 HD2 LYS 26 1HD LYS 26 10.014 -5.144 -1.896 198 HD3 LYS 26 2HD LYS 26 9.729 -3.844 -0.737 199 HE2 LYS 26 1HE LYS 26 8.093 -5.325 0.418 200 HE3 LYS 26 2HE LYS 26 8.561 -6.624 -0.677 201 HZ1 LYS 26 3HZ LYS 26 9.787 -5.877 1.707 202 HZ2 LYS 26 1HZ LYS 26 10.872 -5.502 0.465 203 HZ3 LYS 26 2HZ LYS 26 10.277 -7.077 0.621 204 H SER 27 H SER 27 6.022 -7.232 -4.573 205 HA SER 27 HA SER 27 7.383 -7.570 -6.968 206 HB2 SER 27 1HB SER 27 5.090 -8.960 -5.657 207 HB3 SER 27 2HB SER 27 5.442 -9.347 -7.341 208 HG SER 27 HG SER 27 6.687 -10.724 -6.207 209 H LEU 28 H LEU 28 4.134 -6.349 -6.375 210 HA LEU 28 HA LEU 28 3.384 -6.246 -9.127 211 HB2 LEU 28 1HB LEU 28 2.222 -4.678 -6.833 212 HB3 LEU 28 2HB LEU 28 1.454 -5.026 -8.381 213 HG LEU 28 HG LEU 28 2.194 -7.189 -6.425 214 HD11 LEU 28 1HD1 LEU 28 0.351 -5.195 -5.912 215 HD12 LEU 28 2HD1 LEU 28 0.416 -6.783 -5.150 216 HD13 LEU 28 3HD1 LEU 28 -0.623 -6.519 -6.550 217 HD21 LEU 28 3HD2 LEU 28 0.028 -8.028 -7.809 218 HD22 LEU 28 1HD2 LEU 28 1.695 -8.362 -8.278 219 HD23 LEU 28 2HD2 LEU 28 0.823 -7.022 -9.021 220 H LEU 29 H LEU 29 4.442 -3.795 -6.778 221 HA LEU 29 HA LEU 29 4.478 -1.693 -8.722 222 HB2 LEU 29 1HB LEU 29 5.258 -1.993 -5.872 223 HB3 LEU 29 2HB LEU 29 5.949 -0.650 -6.780 224 HG LEU 29 HG LEU 29 4.029 0.136 -5.584 225 HD11 LEU 29 1HD1 LEU 29 2.882 1.189 -7.316 226 HD12 LEU 29 2HD1 LEU 29 3.048 -0.195 -8.395 227 HD13 LEU 29 3HD1 LEU 29 4.452 0.805 -8.023 228 HD21 LEU 29 3HD2 LEU 29 3.030 -2.292 -5.607 229 HD22 LEU 29 1HD2 LEU 29 2.186 -1.699 -7.037 230 HD23 LEU 29 2HD2 LEU 29 1.976 -0.882 -5.487 231 H ALA 30 H ALA 30 6.573 -4.237 -7.973 232 HA ALA 30 HA ALA 30 9.121 -3.329 -8.208 233 HB1 ALA 30 3HB ALA 30 8.370 -5.717 -7.990 234 HB2 ALA 30 1HB ALA 30 8.136 -5.725 -9.738 235 HB3 ALA 30 2HB ALA 30 9.744 -5.453 -9.065 236 H ARG 31 H ARG 31 6.891 -3.940 -10.909 237 HA ARG 31 HA ARG 31 8.614 -3.333 -13.006 238 HB2 ARG 31 1HB ARG 31 6.492 -2.724 -14.252 239 HB3 ARG 31 2HB ARG 31 6.529 -4.329 -13.534 240 HG2 ARG 31 1HG ARG 31 5.388 -2.986 -11.523 241 HG3 ARG 31 2HG ARG 31 4.851 -1.992 -12.878 242 HD2 ARG 31 1HD ARG 31 4.605 -4.939 -13.135 243 HD3 ARG 31 2HD ARG 31 3.488 -4.114 -12.048 244 HE ARG 31 HE ARG 31 3.453 -2.696 -14.418 245 HH11 ARG 31 1HH1 ARG 31 2.716 -5.933 -13.367 246 HH12 ARG 31 2HH1 ARG 31 1.502 -6.188 -14.577 247 HH21 ARG 31 1HH2 ARG 31 1.857 -3.021 -16.014 248 HH22 ARG 31 2HH2 ARG 31 1.015 -4.532 -16.082 249 H ASP 32 H ASP 32 6.172 -1.152 -11.582 250 HA ASP 32 HA ASP 32 7.083 1.159 -12.896 251 HB2 ASP 32 1HB ASP 32 5.338 0.637 -10.523 252 HB3 ASP 32 2HB ASP 32 5.872 2.285 -10.843 253 H LEU 33 H LEU 33 7.437 0.357 -9.434 254 HA LEU 33 HA LEU 33 9.316 2.360 -8.880 255 HB2 LEU 33 1HB LEU 33 8.871 -0.285 -7.502 256 HB3 LEU 33 2HB LEU 33 9.818 1.050 -6.848 257 HG LEU 33 HG LEU 33 6.851 1.091 -7.399 258 HD11 LEU 33 1HD1 LEU 33 8.210 1.224 -4.727 259 HD12 LEU 33 2HD1 LEU 33 7.723 -0.306 -5.454 260 HD13 LEU 33 3HD1 LEU 33 6.511 0.921 -5.088 261 HD21 LEU 33 3HD2 LEU 33 7.732 3.182 -5.691 262 HD22 LEU 33 1HD2 LEU 33 6.965 3.301 -7.275 263 HD23 LEU 33 2HD2 LEU 33 8.722 3.208 -7.151 264 H ASN 34 H ASN 34 9.653 -0.578 -10.561 265 HA ASN 34 HA ASN 34 11.429 -1.621 -11.526 266 HB2 ASN 34 1HB ASN 34 11.972 0.810 -12.097 267 HB3 ASN 34 2HB ASN 34 13.110 0.761 -10.753 268 HD21 ASN 34 1HD2 ASN 34 14.617 1.275 -12.522 269 HD22 ASN 34 2HD2 ASN 34 15.310 -0.035 -13.409 270 H LEU 35 H LEU 35 10.849 -2.124 -8.780 271 HA LEU 35 HA LEU 35 13.075 -2.133 -7.098 272 HB2 LEU 35 1HB LEU 35 10.916 -4.231 -7.188 273 HB3 LEU 35 2HB LEU 35 11.930 -3.804 -5.811 274 HG LEU 35 HG LEU 35 9.940 -1.914 -7.052 275 HD11 LEU 35 1HD1 LEU 35 9.413 -4.243 -5.529 276 HD12 LEU 35 2HD1 LEU 35 8.286 -2.990 -6.049 277 HD13 LEU 35 3HD1 LEU 35 9.113 -2.842 -4.499 278 HD21 LEU 35 3HD2 LEU 35 12.005 -1.301 -5.470 279 HD22 LEU 35 1HD2 LEU 35 10.824 -1.740 -4.234 280 HD23 LEU 35 2HD2 LEU 35 10.456 -0.461 -5.391 281 H GLU 36 H GLU 36 13.850 -4.478 -6.264 282 HA GLU 36 HA GLU 36 14.900 -5.870 -8.641 283 HB2 GLU 36 1HB GLU 36 16.239 -4.916 -6.164 284 HB3 GLU 36 2HB GLU 36 16.774 -6.455 -6.823 285 HG2 GLU 36 1HG GLU 36 17.532 -5.493 -8.795 286 HG3 GLU 36 2HG GLU 36 16.572 -4.033 -8.564 287 H ARG 37 H ARG 37 13.912 -7.770 -8.817 288 HA ARG 37 HA ARG 37 12.366 -9.155 -7.132 289 HB2 ARG 37 1HB ARG 37 13.017 -11.224 -8.273 290 HB3 ARG 37 2HB ARG 37 12.837 -9.898 -9.414 291 HG2 ARG 37 1HG ARG 37 15.081 -9.798 -9.867 292 HG3 ARG 37 2HG ARG 37 15.536 -10.485 -8.306 293 HD2 ARG 37 1HD ARG 37 15.957 -12.281 -9.649 294 HD3 ARG 37 2HD ARG 37 14.264 -12.592 -9.263 295 HE ARG 37 HE ARG 37 14.366 -11.028 -11.579 296 HH11 ARG 37 1HH1 ARG 37 15.208 -14.230 -10.505 297 HH12 ARG 37 2HH1 ARG 37 14.989 -14.953 -12.064 298 HH21 ARG 37 1HH2 ARG 37 14.074 -11.967 -13.637 299 HH22 ARG 37 2HH2 ARG 37 14.345 -13.664 -13.846 300 H ASP 38 H ASP 38 15.853 -8.958 -6.942 301 HA ASP 38 HA ASP 38 16.002 -10.940 -4.827 302 HB2 ASP 38 1HB ASP 38 17.967 -9.374 -6.429 303 HB3 ASP 38 2HB ASP 38 18.472 -9.940 -4.840 304 H ASN 39 H ASN 39 16.667 -7.458 -5.180 305 HA ASN 39 HA ASN 39 17.047 -7.084 -2.365 306 HB2 ASN 39 1HB ASN 39 17.916 -5.681 -4.440 307 HB3 ASN 39 2HB ASN 39 16.417 -4.795 -4.176 308 HD21 ASN 39 1HD2 ASN 39 16.048 -4.022 -1.943 309 HD22 ASN 39 2HD2 ASN 39 17.416 -3.458 -1.050 310 H GLN 40 H GLN 40 14.358 -7.855 -3.943 311 HA GLN 40 HA GLN 40 12.527 -5.912 -2.856 312 HB2 GLN 40 1HB GLN 40 12.302 -8.367 -4.528 313 HB3 GLN 40 2HB GLN 40 10.877 -7.848 -3.637 314 HG2 GLN 40 1HG GLN 40 11.229 -5.570 -4.694 315 HG3 GLN 40 2HG GLN 40 12.383 -6.364 -5.764 316 HE21 GLN 40 1HE2 GLN 40 11.565 -6.911 -7.641 317 HE22 GLN 40 2HE2 GLN 40 9.930 -7.375 -7.951 318 H GLU 41 H GLU 41 14.127 -8.613 -1.654 319 HA GLU 41 HA GLU 41 12.034 -9.294 0.264 320 HB2 GLU 41 1HB GLU 41 13.477 -11.026 -0.946 321 HB3 GLU 41 2HB GLU 41 14.786 -10.509 0.108 322 HG2 GLU 41 1HG GLU 41 13.031 -10.979 1.997 323 HG3 GLU 41 2HG GLU 41 12.301 -12.004 0.763 324 H GLN 42 H GLN 42 14.717 -7.255 0.004 325 HA GLN 42 HA GLN 42 15.140 -7.174 2.903 326 HB2 GLN 42 1HB GLN 42 17.125 -5.831 2.399 327 HB3 GLN 42 2HB GLN 42 17.150 -7.354 1.522 328 HG2 GLN 42 1HG GLN 42 16.333 -6.174 -0.484 329 HG3 GLN 42 2HG GLN 42 16.423 -4.656 0.408 330 HE21 GLN 42 1HE2 GLN 42 18.283 -7.308 -0.918 331 HE22 GLN 42 2HE2 GLN 42 19.791 -6.467 -0.990 332 H TYR 43 H TYR 43 14.345 -5.076 0.159 333 HA TYR 43 HA TYR 43 14.179 -2.620 1.285 334 HB2 TYR 43 1HB TYR 43 12.268 -3.927 -0.652 335 HB3 TYR 43 2HB TYR 43 12.185 -2.220 -0.234 336 HD1 TYR 43 HD1 TYR 43 15.044 -1.500 -0.128 337 HD2 TYR 43 HD2 TYR 43 12.930 -3.954 -2.887 338 HE1 TYR 43 HE1 TYR 43 16.720 -0.993 -1.853 339 HE2 TYR 43 HE2 TYR 43 14.601 -3.454 -4.620 340 HH TYR 43 HH TYR 43 16.538 -1.032 -4.662 341 H THR 44 H THR 44 13.074 -1.650 2.859 342 HA THR 44 HA THR 44 10.984 -3.178 4.225 343 HB THR 44 HB THR 44 11.306 -1.718 6.113 344 HG1 THR 44 HG1 THR 44 12.566 0.105 6.001 345 HG21 THR 44 3HG2 THR 44 13.102 -3.524 5.353 346 HG22 THR 44 1HG2 THR 44 13.336 -2.526 6.788 347 HG23 THR 44 2HG2 THR 44 14.134 -2.096 5.275 348 H THR 45 H THR 45 9.081 -2.019 5.037 349 HA THR 45 HA THR 45 7.551 -0.866 3.083 350 HB THR 45 HB THR 45 6.203 0.165 5.002 351 HG1 THR 45 HG1 THR 45 6.849 -0.730 7.081 352 HG21 THR 45 3HG2 THR 45 5.422 -1.884 4.184 353 HG22 THR 45 1HG2 THR 45 5.634 -2.178 5.910 354 HG23 THR 45 2HG2 THR 45 6.840 -2.760 4.761 355 H ILE 46 H ILE 46 10.026 0.621 4.964 356 HA ILE 46 HA ILE 46 9.167 3.327 4.560 357 HB ILE 46 HB ILE 46 11.748 2.120 5.528 358 HG12 ILE 46 1HG1 ILE 46 9.867 2.086 7.091 359 HG13 ILE 46 2HG1 ILE 46 11.100 3.215 7.640 360 HG21 ILE 46 1HG2 ILE 46 11.109 5.029 5.076 361 HG22 ILE 46 2HG2 ILE 46 12.458 4.449 6.051 362 HG23 ILE 46 3HG2 ILE 46 12.397 4.088 4.326 363 HD11 ILE 46 3HD1 ILE 46 9.458 4.683 7.874 364 HD12 ILE 46 1HD1 ILE 46 9.414 4.776 6.114 365 HD13 ILE 46 2HD1 ILE 46 8.328 3.678 6.966 366 H GLN 47 H GLN 47 12.026 1.557 3.359 367 HA GLN 47 HA GLN 47 12.908 3.366 1.500 368 HB2 GLN 47 1HB GLN 47 12.911 0.351 1.285 369 HB3 GLN 47 2HB GLN 47 13.870 1.427 0.274 370 HG2 GLN 47 1HG GLN 47 14.731 2.308 2.592 371 HG3 GLN 47 2HG GLN 47 14.197 0.721 3.142 372 HE21 GLN 47 1HE2 GLN 47 15.612 -0.863 2.998 373 HE22 GLN 47 2HE2 GLN 47 17.009 -0.891 1.982 374 H ILE 48 H ILE 48 10.566 0.744 0.936 375 HA ILE 48 HA ILE 48 10.063 1.275 -1.757 376 HB ILE 48 HB ILE 48 8.161 0.156 0.306 377 HG12 ILE 48 1HG1 ILE 48 10.156 -1.190 0.179 378 HG13 ILE 48 2HG1 ILE 48 8.871 -2.035 -0.678 379 HG21 ILE 48 1HG2 ILE 48 7.734 0.884 -2.412 380 HG22 ILE 48 2HG2 ILE 48 7.673 -0.874 -2.283 381 HG23 ILE 48 3HG2 ILE 48 6.615 0.121 -1.283 382 HD11 ILE 48 3HD1 ILE 48 11.412 -0.997 -1.651 383 HD12 ILE 48 1HD1 ILE 48 10.380 -2.273 -2.297 384 HD13 ILE 48 2HD1 ILE 48 10.035 -0.584 -2.673 385 H ALA 49 H ALA 49 8.687 2.689 1.158 386 HA ALA 49 HA ALA 49 6.561 4.086 -0.037 387 HB1 ALA 49 3HB ALA 49 7.989 4.181 2.537 388 HB2 ALA 49 1HB ALA 49 7.155 5.662 2.066 389 HB3 ALA 49 2HB ALA 49 6.260 4.148 2.196 390 H ASN 50 H ASN 50 9.957 4.904 0.419 391 HA ASN 50 HA ASN 50 9.823 7.619 -0.270 392 HB2 ASN 50 1HB ASN 50 12.013 5.562 -0.390 393 HB3 ASN 50 2HB ASN 50 12.279 7.195 -0.995 394 HD21 ASN 50 1HD2 ASN 50 10.793 5.660 1.843 395 HD22 ASN 50 2HD2 ASN 50 11.546 6.695 3.005 396 H MET 51 H MET 51 10.622 4.802 -2.303 397 HA MET 51 HA MET 51 10.971 6.097 -4.716 398 HB2 MET 51 1HB MET 51 9.943 3.359 -4.026 399 HB3 MET 51 2HB MET 51 10.047 3.884 -5.701 400 HG2 MET 51 1HG MET 51 12.047 2.798 -5.421 401 HG3 MET 51 2HG MET 51 12.497 4.471 -5.100 402 HE1 MET 51 3HE MET 51 13.690 1.059 -3.077 403 HE2 MET 51 1HE MET 51 11.982 0.879 -2.671 404 HE3 MET 51 2HE MET 51 12.470 1.111 -4.351 405 H MET 52 H MET 52 7.953 4.473 -3.707 406 HA MET 52 HA MET 52 6.331 5.406 -5.741 407 HB2 MET 52 1HB MET 52 5.667 4.731 -2.876 408 HB3 MET 52 2HB MET 52 4.441 5.089 -4.085 409 HG2 MET 52 1HG MET 52 5.290 3.209 -5.444 410 HG3 MET 52 2HG MET 52 6.421 2.825 -4.148 411 HE1 MET 52 3HE MET 52 1.935 2.759 -4.153 412 HE2 MET 52 1HE MET 52 3.063 3.218 -5.430 413 HE3 MET 52 2HE MET 52 2.626 1.524 -5.208 414 H GLU 53 H GLU 53 7.106 6.932 -2.644 415 HA GLU 53 HA GLU 53 5.347 9.055 -2.669 416 HB2 GLU 53 1HB GLU 53 8.096 8.670 -1.572 417 HB3 GLU 53 2HB GLU 53 7.406 10.286 -1.553 418 HG2 GLU 53 1HG GLU 53 5.873 7.968 -0.456 419 HG3 GLU 53 2HG GLU 53 7.116 8.765 0.507 420 H GLU 54 H GLU 54 8.381 8.682 -4.415 421 HA GLU 54 HA GLU 54 8.269 11.371 -5.479 422 HB2 GLU 54 1HB GLU 54 10.112 9.061 -6.118 423 HB3 GLU 54 2HB GLU 54 10.291 10.695 -6.741 424 HG2 GLU 54 1HG GLU 54 10.487 11.484 -4.378 425 HG3 GLU 54 2HG GLU 54 10.528 9.792 -3.883 426 H LYS 55 H LYS 55 7.818 8.068 -6.671 427 HA LYS 55 HA LYS 55 7.436 8.604 -9.367 428 HB2 LYS 55 1HB LYS 55 6.293 6.480 -7.562 429 HB3 LYS 55 2HB LYS 55 5.930 6.526 -9.282 430 HG2 LYS 55 1HG LYS 55 8.766 6.551 -8.342 431 HG3 LYS 55 2HG LYS 55 7.861 5.038 -8.426 432 HD2 LYS 55 1HD LYS 55 8.029 6.928 -10.758 433 HD3 LYS 55 2HD LYS 55 9.252 5.688 -10.467 434 HE2 LYS 55 1HE LYS 55 7.800 3.961 -10.915 435 HE3 LYS 55 2HE LYS 55 6.376 4.905 -10.481 436 HZ1 LYS 55 3HZ LYS 55 7.941 4.992 -12.987 437 HZ2 LYS 55 1HZ LYS 55 6.918 6.265 -12.542 438 HZ3 LYS 55 2HZ LYS 55 6.284 4.716 -12.786 439 H PHE 56 H PHE 56 4.857 8.154 -6.938 440 HA PHE 56 HA PHE 56 3.119 9.832 -8.622 441 HB2 PHE 56 1HB PHE 56 1.980 8.074 -6.500 442 HB3 PHE 56 2HB PHE 56 1.299 8.542 -8.054 443 HD1 PHE 56 HD2 PHE 56 1.920 7.357 -10.090 444 HD2 PHE 56 HD1 PHE 56 3.425 6.171 -6.290 445 HE1 PHE 56 HE2 PHE 56 2.616 5.199 -11.044 446 HE2 PHE 56 HE1 PHE 56 4.125 4.011 -7.238 447 HZ PHE 56 HZ PHE 56 3.720 3.522 -9.617 448 HA PRO 57 HA PRO 57 3.924 12.374 -4.874 449 HB2 PRO 57 1HB PRO 57 3.860 14.737 -6.208 450 HB3 PRO 57 2HB PRO 57 5.313 13.738 -6.093 451 HG2 PRO 57 1HG PRO 57 3.341 13.963 -8.335 452 HG3 PRO 57 2HG PRO 57 5.113 13.897 -8.404 453 HD2 PRO 57 1HD PRO 57 3.553 11.741 -8.906 454 HD3 PRO 57 2HD PRO 57 5.162 11.605 -8.168 455 H ALA 58 H ALA 58 1.352 11.767 -6.869 456 HA ALA 58 HA ALA 58 -0.376 13.885 -5.881 457 HB1 ALA 58 3HB ALA 58 -0.398 12.812 -8.248 458 HB2 ALA 58 1HB ALA 58 -1.357 11.552 -7.470 459 HB3 ALA 58 2HB ALA 58 -1.923 13.223 -7.463 460 H ASP 59 H ASP 59 -0.369 10.318 -5.807 461 HA ASP 59 HA ASP 59 -2.028 10.454 -3.377 462 HB2 ASP 59 1HB ASP 59 -2.370 7.924 -4.027 463 HB3 ASP 59 2HB ASP 59 -3.299 9.188 -4.829 464 H SER 60 H SER 60 1.063 9.777 -4.515 465 HA SER 60 HA SER 60 2.939 8.924 -3.553 466 HB2 SER 60 1HB SER 60 1.353 8.935 -0.977 467 HB3 SER 60 2HB SER 60 3.109 8.936 -1.142 468 HG SER 60 HG SER 60 3.048 11.006 -1.860 469 H GLY 61 H GLY 61 0.926 7.146 -4.662 470 HA2 GLY 61 1HA GLY 61 0.969 4.836 -4.982 471 HA3 GLY 61 2HA GLY 61 1.936 4.676 -3.523 472 H LEU 62 H LEU 62 -0.332 6.538 -2.366 473 HA LEU 62 HA LEU 62 -1.602 4.799 -0.740 474 HB2 LEU 62 1HB LEU 62 -2.003 7.070 -0.373 475 HB3 LEU 62 2HB LEU 62 -2.585 7.325 -2.017 476 HG LEU 62 HG LEU 62 -4.601 5.947 -1.399 477 HD11 LEU 62 1HD1 LEU 62 -3.863 6.479 1.450 478 HD12 LEU 62 2HD1 LEU 62 -3.344 4.996 0.650 479 HD13 LEU 62 3HD1 LEU 62 -5.062 5.365 0.793 480 HD21 LEU 62 3HD2 LEU 62 -5.429 7.871 0.214 481 HD22 LEU 62 1HD2 LEU 62 -5.133 8.163 -1.500 482 HD23 LEU 62 2HD2 LEU 62 -3.921 8.624 -0.304 483 H GLY 63 H GLY 63 -2.764 5.729 -3.976 484 HA2 GLY 63 1HA GLY 63 -5.072 4.141 -3.992 485 HA3 GLY 63 2HA GLY 63 -4.206 4.685 -5.422 486 H LYS 64 H LYS 64 -1.971 3.421 -5.603 487 HA LYS 64 HA LYS 64 -2.473 0.896 -6.489 488 HB2 LYS 64 1HB LYS 64 -0.317 2.340 -6.630 489 HB3 LYS 64 2HB LYS 64 0.154 1.494 -5.162 490 HG2 LYS 64 1HG LYS 64 1.141 0.293 -6.908 491 HG3 LYS 64 2HG LYS 64 -0.272 -0.656 -6.442 492 HD2 LYS 64 1HD LYS 64 -0.383 -0.643 -8.767 493 HD3 LYS 64 2HD LYS 64 -1.488 0.654 -8.304 494 HE2 LYS 64 1HE LYS 64 0.310 2.290 -8.687 495 HE3 LYS 64 2HE LYS 64 1.376 0.982 -9.195 496 HZ1 LYS 64 3HZ LYS 64 -1.037 2.014 -10.554 497 HZ2 LYS 64 1HZ LYS 64 -0.407 0.485 -10.913 498 HZ3 LYS 64 2HZ LYS 64 0.535 1.867 -11.163 499 H LEU 65 H LEU 65 -1.703 1.868 -3.198 500 HA LEU 65 HA LEU 65 -1.410 -0.775 -2.177 501 HB2 LEU 65 1HB LEU 65 -0.438 1.193 -1.086 502 HB3 LEU 65 2HB LEU 65 -2.057 1.796 -0.740 503 HG LEU 65 HG LEU 65 -0.692 0.625 1.129 504 HD11 LEU 65 1HD1 LEU 65 -3.521 0.652 0.472 505 HD12 LEU 65 2HD1 LEU 65 -2.709 0.993 1.999 506 HD13 LEU 65 3HD1 LEU 65 -3.086 -0.671 1.554 507 HD21 LEU 65 3HD2 LEU 65 -1.832 -1.779 -0.289 508 HD22 LEU 65 1HD2 LEU 65 -0.979 -1.770 1.253 509 HD23 LEU 65 2HD2 LEU 65 -0.122 -1.354 -0.231 510 H ILE 66 H ILE 66 -4.033 1.625 -1.908 511 HA ILE 66 HA ILE 66 -5.876 0.222 -0.471 512 HB ILE 66 HB ILE 66 -6.287 2.082 -2.799 513 HG12 ILE 66 1HG1 ILE 66 -6.901 2.453 0.135 514 HG13 ILE 66 2HG1 ILE 66 -5.358 2.895 -0.587 515 HG21 ILE 66 1HG2 ILE 66 -8.371 0.753 -1.081 516 HG22 ILE 66 2HG2 ILE 66 -8.675 2.201 -2.039 517 HG23 ILE 66 3HG2 ILE 66 -8.220 0.696 -2.836 518 HD11 ILE 66 3HD1 ILE 66 -6.470 4.893 -0.616 519 HD12 ILE 66 1HD1 ILE 66 -6.847 4.272 -2.222 520 HD13 ILE 66 2HD1 ILE 66 -8.036 4.144 -0.925 521 H GLU 67 H GLU 67 -5.694 0.188 -4.037 522 HA GLU 67 HA GLU 67 -7.613 -1.724 -4.534 523 HB2 GLU 67 1HB GLU 67 -5.052 -1.089 -5.992 524 HB3 GLU 67 2HB GLU 67 -6.213 -2.261 -6.600 525 HG2 GLU 67 1HG GLU 67 -7.925 -0.348 -6.371 526 HG3 GLU 67 2HG GLU 67 -6.508 0.698 -6.293 527 H PHE 68 H PHE 68 -4.176 -2.213 -3.818 528 HA PHE 68 HA PHE 68 -4.089 -4.983 -4.158 529 HB2 PHE 68 1HB PHE 68 -2.035 -3.776 -3.943 530 HB3 PHE 68 2HB PHE 68 -2.496 -3.151 -2.364 531 HD1 PHE 68 HD1 PHE 68 -1.535 -6.213 -4.192 532 HD2 PHE 68 HD2 PHE 68 -2.047 -4.357 -0.397 533 HE1 PHE 68 HE1 PHE 68 -0.398 -8.110 -3.116 534 HE2 PHE 68 HE2 PHE 68 -0.910 -6.251 0.687 535 HZ PHE 68 HZ PHE 68 -0.084 -8.131 -0.673 536 H CYS 69 H CYS 69 -5.351 -3.044 -1.569 537 HA CYS 69 HA CYS 69 -5.514 -5.252 0.293 538 HB2 CYS 69 1HB CYS 69 -6.527 -2.408 0.393 539 HB3 CYS 69 2HB CYS 69 -6.797 -3.574 1.683 540 HG CYS 69 HG CYS 69 -3.781 -2.338 0.649 541 H GLU 70 H GLU 70 -7.421 -3.929 -2.219 542 HA GLU 70 HA GLU 70 -9.957 -4.857 -1.225 543 HB2 GLU 70 1HB GLU 70 -9.113 -3.880 -3.959 544 HB3 GLU 70 2HB GLU 70 -10.768 -4.269 -3.511 545 HG2 GLU 70 1HG GLU 70 -10.799 -2.504 -1.882 546 HG3 GLU 70 2HG GLU 70 -9.090 -2.170 -2.159 547 H GLU 71 H GLU 71 -7.500 -6.012 -3.464 548 HA GLU 71 HA GLU 71 -8.960 -8.153 -4.564 549 HB2 GLU 71 1HB GLU 71 -6.982 -8.817 -5.559 550 HB3 GLU 71 2HB GLU 71 -6.668 -7.113 -5.260 551 HG2 GLU 71 1HG GLU 71 -5.551 -7.833 -3.110 552 HG3 GLU 71 2HG GLU 71 -5.647 -9.481 -3.727 553 H VAL 72 H VAL 72 -7.798 -7.677 -1.440 554 HA VAL 72 HA VAL 72 -7.860 -10.569 -0.877 555 HB VAL 72 HB VAL 72 -6.715 -8.596 1.058 556 HG11 VAL 72 1HG1 VAL 72 -6.267 -11.501 0.418 557 HG12 VAL 72 2HG1 VAL 72 -5.224 -10.585 1.507 558 HG13 VAL 72 3HG1 VAL 72 -6.931 -10.801 1.894 559 HG21 VAL 72 3HG2 VAL 72 -4.528 -9.561 -0.329 560 HG22 VAL 72 1HG2 VAL 72 -5.677 -9.142 -1.599 561 HG23 VAL 72 2HG2 VAL 72 -5.183 -7.926 -0.421 562 HA PRO 73 HA PRO 73 -11.607 -9.859 1.355 563 HB2 PRO 73 1HB PRO 73 -11.657 -12.194 2.738 564 HB3 PRO 73 2HB PRO 73 -12.041 -12.090 1.015 565 HG2 PRO 73 1HG PRO 73 -9.489 -12.922 2.341 566 HG3 PRO 73 2HG PRO 73 -10.317 -13.651 0.953 567 HD2 PRO 73 1HD PRO 73 -8.183 -12.008 0.676 568 HD3 PRO 73 2HD PRO 73 -9.490 -12.087 -0.524 569 H ALA 74 H ALA 74 -8.514 -10.228 2.773 570 HA ALA 74 HA ALA 74 -9.531 -9.622 5.457 571 HB1 ALA 74 3HB ALA 74 -8.034 -11.374 5.660 572 HB2 ALA 74 1HB ALA 74 -6.946 -10.724 4.435 573 HB3 ALA 74 2HB ALA 74 -7.027 -9.974 6.029 574 H LEU 75 H LEU 75 -7.750 -8.272 2.799 575 HA LEU 75 HA LEU 75 -6.878 -5.974 4.361 576 HB2 LEU 75 1HB LEU 75 -6.510 -6.635 1.443 577 HB3 LEU 75 2HB LEU 75 -5.800 -5.250 2.271 578 HG LEU 75 HG LEU 75 -5.128 -8.163 2.607 579 HD11 LEU 75 1HD1 LEU 75 -2.990 -7.565 1.845 580 HD12 LEU 75 2HD1 LEU 75 -3.302 -5.843 2.062 581 HD13 LEU 75 3HD1 LEU 75 -4.112 -6.729 0.770 582 HD21 LEU 75 3HD2 LEU 75 -3.485 -7.296 4.332 583 HD22 LEU 75 1HD2 LEU 75 -5.176 -7.378 4.829 584 HD23 LEU 75 2HD2 LEU 75 -4.462 -5.827 4.380 585 H ARG 76 H ARG 76 -9.407 -6.901 2.207 586 HA ARG 76 HA ARG 76 -10.210 -4.553 1.039 587 HB2 ARG 76 1HB ARG 76 -11.638 -6.976 2.005 588 HB3 ARG 76 2HB ARG 76 -12.617 -5.571 1.607 589 HG2 ARG 76 1HG ARG 76 -11.893 -5.576 -0.638 590 HG3 ARG 76 2HG ARG 76 -10.595 -6.719 -0.290 591 HD2 ARG 76 1HD ARG 76 -12.016 -8.516 -0.206 592 HD3 ARG 76 2HD ARG 76 -13.399 -7.535 0.276 593 HE ARG 76 HE ARG 76 -12.697 -8.267 -2.358 594 HH11 ARG 76 1HH1 ARG 76 -13.917 -5.581 -0.512 595 HH12 ARG 76 2HH1 ARG 76 -14.784 -4.891 -1.843 596 HH21 ARG 76 1HH2 ARG 76 -13.836 -7.370 -4.119 597 HH22 ARG 76 2HH2 ARG 76 -14.739 -5.910 -3.894 598 H LYS 77 H LYS 77 -10.436 -5.483 4.387 599 HA LYS 77 HA LYS 77 -12.349 -3.599 5.238 600 HB2 LYS 77 1HB LYS 77 -11.877 -5.336 6.748 601 HB3 LYS 77 2HB LYS 77 -10.140 -5.084 6.634 602 HG2 LYS 77 1HG LYS 77 -10.887 -4.315 8.768 603 HG3 LYS 77 2HG LYS 77 -10.430 -2.914 7.797 604 HD2 LYS 77 1HD LYS 77 -12.426 -2.168 8.621 605 HD3 LYS 77 2HD LYS 77 -12.998 -2.975 7.159 606 HE2 LYS 77 1HE LYS 77 -14.409 -3.642 8.967 607 HE3 LYS 77 2HE LYS 77 -13.397 -5.019 8.534 608 HZ1 LYS 77 3HZ LYS 77 -13.400 -4.889 10.873 609 HZ2 LYS 77 1HZ LYS 77 -13.105 -3.223 10.871 610 HZ3 LYS 77 2HZ LYS 77 -11.892 -4.297 10.387 611 H ARG 78 H ARG 78 -8.790 -3.469 5.288 612 HA ARG 78 HA ARG 78 -8.610 -0.847 6.302 613 HB2 ARG 78 1HB ARG 78 -6.683 -2.509 4.679 614 HB3 ARG 78 2HB ARG 78 -6.277 -0.924 5.324 615 HG2 ARG 78 1HG ARG 78 -7.297 -3.063 7.143 616 HG3 ARG 78 2HG ARG 78 -5.608 -3.055 6.632 617 HD2 ARG 78 1HD ARG 78 -5.250 -0.901 7.584 618 HD3 ARG 78 2HD ARG 78 -6.976 -0.674 7.866 619 HE ARG 78 HE ARG 78 -6.736 -1.801 9.831 620 HH11 ARG 78 1HH1 ARG 78 -4.076 -2.636 7.747 621 HH12 ARG 78 2HH1 ARG 78 -3.263 -3.585 8.948 622 HH21 ARG 78 1HH2 ARG 78 -5.675 -3.048 11.420 623 HH22 ARG 78 2HH2 ARG 78 -4.174 -3.819 11.037 624 H ALA 79 H ALA 79 -8.793 -2.115 3.018 625 HA ALA 79 HA ALA 79 -8.153 0.145 1.558 626 HB1 ALA 79 3HB ALA 79 -10.269 -1.075 0.181 627 HB2 ALA 79 1HB ALA 79 -8.540 -1.337 -0.047 628 HB3 ALA 79 2HB ALA 79 -9.450 -2.365 1.060 629 H GLU 80 H GLU 80 -11.495 -0.909 2.247 630 HA GLU 80 HA GLU 80 -12.823 1.342 1.422 631 HB2 GLU 80 1HB GLU 80 -14.592 0.721 3.075 632 HB3 GLU 80 2HB GLU 80 -14.052 -0.613 2.065 633 HG2 GLU 80 1HG GLU 80 -12.732 -1.510 3.851 634 HG3 GLU 80 2HG GLU 80 -13.066 -0.104 4.860 635 H ILE 81 H ILE 81 -11.058 0.845 4.402 636 HA ILE 81 HA ILE 81 -12.025 3.160 5.746 637 HB ILE 81 HB ILE 81 -9.545 1.496 6.171 638 HG12 ILE 81 1HG1 ILE 81 -12.069 1.723 7.821 639 HG13 ILE 81 2HG1 ILE 81 -11.788 0.465 6.624 640 HG21 ILE 81 1HG2 ILE 81 -10.405 4.035 7.407 641 HG22 ILE 81 2HG2 ILE 81 -9.838 2.779 8.508 642 HG23 ILE 81 3HG2 ILE 81 -8.790 3.355 7.213 643 HD11 ILE 81 3HD1 ILE 81 -9.627 0.033 8.022 644 HD12 ILE 81 1HD1 ILE 81 -10.532 0.861 9.289 645 HD13 ILE 81 2HD1 ILE 81 -11.184 -0.603 8.551 646 H LEU 82 H LEU 82 -9.107 2.479 3.845 647 HA LEU 82 HA LEU 82 -7.826 4.933 4.181 648 HB2 LEU 82 1HB LEU 82 -7.808 3.078 1.806 649 HB3 LEU 82 2HB LEU 82 -6.678 4.408 2.051 650 HG LEU 82 HG LEU 82 -6.927 2.101 3.969 651 HD11 LEU 82 1HD1 LEU 82 -4.726 1.413 2.819 652 HD12 LEU 82 2HD1 LEU 82 -5.312 2.377 1.463 653 HD13 LEU 82 3HD1 LEU 82 -6.254 1.001 2.040 654 HD21 LEU 82 3HD2 LEU 82 -5.466 3.243 5.185 655 HD22 LEU 82 1HD2 LEU 82 -5.561 4.576 4.034 656 HD23 LEU 82 2HD2 LEU 82 -4.351 3.310 3.818 657 H LYS 83 H LYS 83 -10.370 3.958 1.961 658 HA LYS 83 HA LYS 83 -10.301 6.282 0.335 659 HB2 LYS 83 1HB LYS 83 -12.482 4.257 0.855 660 HB3 LYS 83 2HB LYS 83 -12.617 5.549 -0.331 661 HG2 LYS 83 1HG LYS 83 -11.025 4.616 -1.725 662 HG3 LYS 83 2HG LYS 83 -10.312 3.651 -0.431 663 HD2 LYS 83 1HD LYS 83 -11.973 2.047 -0.532 664 HD3 LYS 83 2HD LYS 83 -13.140 3.156 -1.257 665 HE2 LYS 83 1HE LYS 83 -10.669 2.413 -2.762 666 HE3 LYS 83 2HE LYS 83 -12.022 1.285 -2.698 667 HZ1 LYS 83 3HZ LYS 83 -12.977 3.865 -3.304 668 HZ2 LYS 83 1HZ LYS 83 -13.064 2.458 -4.239 669 HZ3 LYS 83 2HZ LYS 83 -11.722 3.480 -4.371 670 H LYS 84 H LYS 84 -11.895 5.473 3.344 671 HA LYS 84 HA LYS 84 -13.814 7.490 3.451 672 HB2 LYS 84 1HB LYS 84 -13.717 5.648 5.062 673 HB3 LYS 84 2HB LYS 84 -12.216 6.286 5.719 674 HG2 LYS 84 1HG LYS 84 -13.505 8.382 6.291 675 HG3 LYS 84 2HG LYS 84 -14.968 7.476 5.897 676 HD2 LYS 84 1HD LYS 84 -14.738 6.063 7.702 677 HD3 LYS 84 2HD LYS 84 -12.991 6.299 7.799 678 HE2 LYS 84 1HE LYS 84 -13.185 8.244 8.990 679 HE3 LYS 84 2HE LYS 84 -14.758 8.638 8.301 680 HZ1 LYS 84 3HZ LYS 84 -14.986 8.042 10.610 681 HZ2 LYS 84 1HZ LYS 84 -14.215 6.559 10.351 682 HZ3 LYS 84 2HZ LYS 84 -15.726 6.859 9.654 683 H GLU 85 H GLU 85 -10.369 7.579 4.126 684 HA GLU 85 HA GLU 85 -10.517 10.330 5.063 685 HB2 GLU 85 1HB GLU 85 -8.170 8.459 4.711 686 HB3 GLU 85 2HB GLU 85 -8.054 10.092 5.352 687 HG2 GLU 85 1HG GLU 85 -9.903 8.126 6.624 688 HG3 GLU 85 2HG GLU 85 -8.174 8.063 6.963 689 H ARG 86 H ARG 86 -8.926 8.527 2.437 690 HA ARG 86 HA ARG 86 -7.664 10.493 1.068 691 HB2 ARG 86 1HB ARG 86 -7.536 8.273 0.236 692 HB3 ARG 86 2HB ARG 86 -9.279 8.178 0.012 693 HG2 ARG 86 1HG ARG 86 -8.942 10.088 -1.684 694 HG3 ARG 86 2HG ARG 86 -7.243 9.613 -1.641 695 HD2 ARG 86 1HD ARG 86 -7.648 7.573 -2.615 696 HD3 ARG 86 2HD ARG 86 -9.309 7.506 -2.029 697 HE ARG 86 HE ARG 86 -9.971 8.501 -3.969 698 HH11 ARG 86 1HH1 ARG 86 -6.582 9.137 -3.496 699 HH12 ARG 86 2HH1 ARG 86 -6.380 9.919 -5.029 700 HH21 ARG 86 1HH2 ARG 86 -9.719 9.528 -5.990 701 HH22 ARG 86 2HH2 ARG 86 -8.166 10.141 -6.447 702 H SER 87 H SER 87 -11.129 9.746 0.859 703 HA SER 87 HA SER 87 -11.522 12.342 -0.481 704 HB2 SER 87 1HB SER 87 -12.979 9.723 -0.779 705 HB3 SER 87 2HB SER 87 -13.722 11.248 -1.262 706 HG SER 87 HG SER 87 -11.270 10.187 -2.225 707 H GLU 88 H GLU 88 -12.968 13.762 0.355 708 HA GLU 88 HA GLU 88 -14.118 13.063 2.960 709 HB2 GLU 88 1HB GLU 88 -14.262 15.443 3.378 710 HB3 GLU 88 2HB GLU 88 -12.636 15.041 2.841 711 HG2 GLU 88 1HG GLU 88 -13.263 15.792 0.561 712 HG3 GLU 88 2HG GLU 88 -14.815 16.320 1.210 713 H SER 89 H SER 89 -14.994 14.749 -0.051 714 HA SER 89 HA SER 89 -17.827 14.290 0.601 715 HB2 SER 89 1HB SER 89 -16.441 16.373 -1.073 716 HB3 SER 89 2HB SER 89 -18.162 16.039 -1.276 717 HG SER 89 HG SER 89 -17.810 17.716 0.226 718 H GLY 90 H GLY 90 -15.389 13.962 -1.930 719 HA2 GLY 90 1HA GLY 90 -16.796 13.125 -4.095 720 HA3 GLY 90 2HA GLY 90 -15.260 12.407 -3.634 721 HA PRO 91 HA PRO 91 -19.069 9.507 -3.071 722 HB2 PRO 91 1HB PRO 91 -19.257 8.387 -5.537 723 HB3 PRO 91 2HB PRO 91 -20.179 9.818 -5.059 724 HG2 PRO 91 1HG PRO 91 -17.649 9.638 -6.650 725 HG3 PRO 91 2HG PRO 91 -19.077 10.651 -6.930 726 HD2 PRO 91 1HD PRO 91 -16.819 11.603 -5.780 727 HD3 PRO 91 2HD PRO 91 -18.432 12.212 -5.362 728 H SER 92 H SER 92 -15.863 9.472 -4.075 729 HA SER 92 HA SER 92 -15.317 6.811 -4.641 730 HB2 SER 92 1HB SER 92 -13.694 8.721 -4.790 731 HB3 SER 92 2HB SER 92 -13.533 8.653 -3.036 732 HG SER 92 HG SER 92 -12.587 6.910 -4.984 733 H SER 93 H SER 93 -16.247 5.236 -3.453 734 HA SER 93 HA SER 93 -15.535 5.128 -0.600 735 HB2 SER 93 1HB SER 93 -18.218 4.619 -1.873 736 HB3 SER 93 2HB SER 93 -17.791 3.918 -0.311 737 HG SER 93 HG SER 93 -18.649 6.382 -0.839 738 H GLY 94 H GLY 94 -15.688 2.889 0.298 739 HA2 GLY 94 1HA GLY 94 -15.179 0.839 -1.758 740 HA3 GLY 94 2HA GLY 94 -14.054 1.059 -0.426 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -16.141 2.519 23.871 2 HA2 GLY 1 1HA GLY 1 -14.269 3.277 25.431 3 HA3 GLY 1 2HA GLY 1 -13.870 3.286 23.719 4 H SER 2 H SER 2 -12.436 4.879 25.353 5 HA SER 2 HA SER 2 -13.433 7.567 24.677 6 HB2 SER 2 1HB SER 2 -12.353 8.422 26.728 7 HB3 SER 2 2HB SER 2 -13.605 7.236 27.098 8 HG SER 2 HG SER 2 -11.659 6.888 28.281 9 H SER 3 H SER 3 -10.565 5.602 25.388 10 HA SER 3 HA SER 3 -8.666 7.478 24.475 11 HB2 SER 3 1HB SER 3 -7.137 5.488 24.340 12 HB3 SER 3 2HB SER 3 -7.952 5.667 25.894 13 HG SER 3 HG SER 3 -7.972 3.571 24.303 14 H GLY 4 H GLY 4 -8.738 8.298 22.478 15 HA2 GLY 4 1HA GLY 4 -9.074 6.404 20.233 16 HA3 GLY 4 2HA GLY 4 -9.684 8.052 20.201 17 H SER 5 H SER 5 -6.959 6.004 19.728 18 HA SER 5 HA SER 5 -5.205 8.305 19.248 19 HB2 SER 5 1HB SER 5 -4.607 5.351 19.501 20 HB3 SER 5 2HB SER 5 -3.397 6.570 19.101 21 HG SER 5 HG SER 5 -3.502 6.056 21.361 22 H SER 6 H SER 6 -6.319 8.897 17.291 23 HA SER 6 HA SER 6 -6.256 7.057 15.058 24 HB2 SER 6 1HB SER 6 -7.450 8.722 13.843 25 HB3 SER 6 2HB SER 6 -8.100 8.762 15.482 26 HG SER 6 HG SER 6 -7.336 10.711 15.737 27 H GLY 7 H GLY 7 -3.703 7.501 16.055 28 HA2 GLY 7 1HA GLY 7 -2.368 9.527 14.500 29 HA3 GLY 7 2HA GLY 7 -1.602 8.315 15.516 30 H ILE 8 H ILE 8 -3.766 8.000 12.711 31 HA ILE 8 HA ILE 8 -1.717 6.300 11.457 32 HB ILE 8 HB ILE 8 -4.704 6.339 11.009 33 HG12 ILE 8 1HG1 ILE 8 -3.072 4.046 12.068 34 HG13 ILE 8 2HG1 ILE 8 -3.680 5.296 13.147 35 HG21 ILE 8 1HG2 ILE 8 -4.276 5.432 9.027 36 HG22 ILE 8 2HG2 ILE 8 -2.548 5.366 9.369 37 HG23 ILE 8 3HG2 ILE 8 -3.597 4.042 9.875 38 HD11 ILE 8 3HD1 ILE 8 -5.818 4.424 11.499 39 HD12 ILE 8 1HD1 ILE 8 -5.013 3.007 12.171 40 HD13 ILE 8 2HD1 ILE 8 -5.629 4.266 13.245 41 H VAL 9 H VAL 9 -1.007 6.717 9.420 42 HA VAL 9 HA VAL 9 -2.127 9.089 8.072 43 HB VAL 9 HB VAL 9 0.133 9.484 9.064 44 HG11 VAL 9 1HG1 VAL 9 0.771 7.007 8.340 45 HG12 VAL 9 2HG1 VAL 9 1.383 7.860 6.921 46 HG13 VAL 9 3HG1 VAL 9 1.983 8.275 8.527 47 HG21 VAL 9 3HG2 VAL 9 -0.086 9.591 6.056 48 HG22 VAL 9 1HG2 VAL 9 -0.618 10.824 7.199 49 HG23 VAL 9 2HG2 VAL 9 1.101 10.476 7.014 50 H LEU 10 H LEU 10 -2.342 9.021 5.853 51 HA LEU 10 HA LEU 10 -3.064 6.741 4.583 52 HB2 LEU 10 1HB LEU 10 -1.602 8.978 3.195 53 HB3 LEU 10 2HB LEU 10 -2.778 7.871 2.491 54 HG LEU 10 HG LEU 10 -3.392 9.967 4.575 55 HD11 LEU 10 1HD1 LEU 10 -4.556 11.110 2.727 56 HD12 LEU 10 2HD1 LEU 10 -3.895 9.925 1.602 57 HD13 LEU 10 3HD1 LEU 10 -2.813 11.010 2.476 58 HD21 LEU 10 3HD2 LEU 10 -5.690 9.416 4.221 59 HD22 LEU 10 1HD2 LEU 10 -4.826 7.923 4.595 60 HD23 LEU 10 2HD2 LEU 10 -5.277 8.288 2.929 61 H LEU 11 H LEU 11 0.183 7.854 5.155 62 HA LEU 11 HA LEU 11 1.498 6.179 3.284 63 HB2 LEU 11 1HB LEU 11 2.319 8.242 4.709 64 HB3 LEU 11 2HB LEU 11 2.815 6.978 5.832 65 HG LEU 11 HG LEU 11 4.603 7.808 4.281 66 HD11 LEU 11 1HD1 LEU 11 4.814 5.167 3.449 67 HD12 LEU 11 2HD1 LEU 11 3.868 5.093 4.935 68 HD13 LEU 11 3HD1 LEU 11 5.454 5.864 4.936 69 HD21 LEU 11 3HD2 LEU 11 2.792 7.748 2.340 70 HD22 LEU 11 1HD2 LEU 11 3.458 6.129 2.121 71 HD23 LEU 11 2HD2 LEU 11 4.515 7.538 2.024 72 H ARG 12 H ARG 12 0.796 5.837 6.748 73 HA ARG 12 HA ARG 12 2.096 3.504 7.336 74 HB2 ARG 12 1HB ARG 12 0.499 5.024 8.763 75 HB3 ARG 12 2HB ARG 12 -0.719 3.846 8.293 76 HG2 ARG 12 1HG ARG 12 0.497 2.072 9.335 77 HG3 ARG 12 2HG ARG 12 1.872 3.134 9.645 78 HD2 ARG 12 1HD ARG 12 0.753 4.300 11.314 79 HD3 ARG 12 2HD ARG 12 -0.835 3.797 10.735 80 HE ARG 12 HE ARG 12 0.688 1.568 11.616 81 HH11 ARG 12 1HH1 ARG 12 -1.174 4.278 12.764 82 HH12 ARG 12 2HH1 ARG 12 -1.612 3.511 14.255 83 HH21 ARG 12 1HH2 ARG 12 0.118 0.549 13.575 84 HH22 ARG 12 2HH2 ARG 12 -0.876 1.391 14.716 85 H GLY 13 H GLY 13 -0.542 3.936 5.176 86 HA2 GLY 13 1HA GLY 13 -1.953 1.637 5.113 87 HA3 GLY 13 2HA GLY 13 -1.404 2.428 3.644 88 H LEU 14 H LEU 14 1.444 1.903 4.497 89 HA LEU 14 HA LEU 14 1.586 -0.773 3.353 90 HB2 LEU 14 1HB LEU 14 3.891 1.035 4.023 91 HB3 LEU 14 2HB LEU 14 3.866 -0.321 2.897 92 HG LEU 14 HG LEU 14 2.204 2.130 2.412 93 HD11 LEU 14 1HD1 LEU 14 4.348 2.472 0.790 94 HD12 LEU 14 2HD1 LEU 14 5.120 1.855 2.249 95 HD13 LEU 14 3HD1 LEU 14 4.115 3.302 2.329 96 HD21 LEU 14 3HD2 LEU 14 2.167 1.391 0.175 97 HD22 LEU 14 1HD2 LEU 14 1.884 -0.048 1.153 98 HD23 LEU 14 2HD2 LEU 14 3.476 0.239 0.451 99 H GLU 15 H GLU 15 3.315 0.921 5.978 100 HA GLU 15 HA GLU 15 4.397 -1.273 7.233 101 HB2 GLU 15 1HB GLU 15 4.536 1.319 7.737 102 HB3 GLU 15 2HB GLU 15 3.309 0.927 8.934 103 HG2 GLU 15 1HG GLU 15 5.784 -0.717 8.838 104 HG3 GLU 15 2HG GLU 15 5.860 0.901 9.536 105 H CYS 16 H CYS 16 1.105 -0.361 7.056 106 HA CYS 16 HA CYS 16 0.126 -1.543 9.421 107 HB2 CYS 16 1HB CYS 16 -1.215 0.019 8.106 108 HB3 CYS 16 2HB CYS 16 -1.248 -1.114 6.760 109 HG CYS 16 HG CYS 16 -2.656 -1.733 9.818 110 H ILE 17 H ILE 17 -0.079 -2.794 6.084 111 HA ILE 17 HA ILE 17 -0.871 -5.386 6.833 112 HB ILE 17 HB ILE 17 -0.122 -6.045 4.528 113 HG12 ILE 17 1HG1 ILE 17 0.536 -3.103 4.279 114 HG13 ILE 17 2HG1 ILE 17 1.734 -4.388 4.388 115 HG21 ILE 17 1HG2 ILE 17 -1.678 -3.899 3.650 116 HG22 ILE 17 2HG2 ILE 17 -2.237 -5.501 4.130 117 HG23 ILE 17 3HG2 ILE 17 -2.181 -4.195 5.313 118 HD11 ILE 17 3HD1 ILE 17 0.319 -5.305 2.323 119 HD12 ILE 17 1HD1 ILE 17 0.016 -3.578 2.131 120 HD13 ILE 17 2HD1 ILE 17 1.672 -4.188 2.144 121 H ASN 18 H ASN 18 0.226 -7.174 7.402 122 HA ASN 18 HA ASN 18 2.799 -7.044 8.436 123 HB2 ASN 18 1HB ASN 18 0.976 -9.284 7.664 124 HB3 ASN 18 2HB ASN 18 2.648 -9.660 8.068 125 HD21 ASN 18 1HD2 ASN 18 3.128 -9.946 10.127 126 HD22 ASN 18 2HD2 ASN 18 2.144 -9.482 11.469 127 H LYS 19 H LYS 19 4.779 -8.026 7.737 128 HA LYS 19 HA LYS 19 5.647 -7.278 5.226 129 HB2 LYS 19 1HB LYS 19 7.069 -7.902 7.214 130 HB3 LYS 19 2HB LYS 19 6.786 -9.588 6.803 131 HG2 LYS 19 1HG LYS 19 8.828 -9.171 5.822 132 HG3 LYS 19 2HG LYS 19 7.710 -8.924 4.478 133 HD2 LYS 19 1HD LYS 19 9.126 -7.082 4.340 134 HD3 LYS 19 2HD LYS 19 7.729 -6.449 5.215 135 HE2 LYS 19 1HE LYS 19 9.148 -7.243 7.305 136 HE3 LYS 19 2HE LYS 19 10.484 -7.021 6.176 137 HZ1 LYS 19 3HZ LYS 19 10.299 -4.815 6.287 138 HZ2 LYS 19 1HZ LYS 19 9.370 -5.070 7.678 139 HZ3 LYS 19 2HZ LYS 19 8.611 -4.840 6.184 140 H HIS 20 H HIS 20 3.756 -9.987 6.094 141 HA HIS 20 HA HIS 20 4.476 -11.767 4.016 142 HB2 HIS 20 1HB HIS 20 3.286 -12.715 5.818 143 HB3 HIS 20 2HB HIS 20 2.026 -11.486 5.743 144 HD1 HIS 20 HD1 HIS 20 3.342 -14.293 3.532 145 HD2 HIS 20 HD2 HIS 20 -0.202 -12.342 4.477 146 HE1 HIS 20 HE1 HIS 20 1.544 -15.515 2.267 147 HE2 HIS 20 HE2 HIS 20 -0.579 -14.264 2.788 148 H TYR 21 H TYR 21 1.776 -9.465 4.314 149 HA TYR 21 HA TYR 21 0.898 -9.900 1.623 150 HB2 TYR 21 1HB TYR 21 0.124 -8.070 3.853 151 HB3 TYR 21 2HB TYR 21 -0.396 -7.672 2.219 152 HD1 TYR 21 HD1 TYR 21 -1.197 -10.058 0.970 153 HD2 TYR 21 HD2 TYR 21 -1.567 -9.030 5.082 154 HE1 TYR 21 HE1 TYR 21 -3.083 -11.622 1.186 155 HE2 TYR 21 HE2 TYR 21 -3.453 -10.591 5.309 156 HH TYR 21 HH TYR 21 -4.210 -12.912 2.972 157 H PHE 22 H PHE 22 2.779 -7.417 3.289 158 HA PHE 22 HA PHE 22 2.967 -5.505 1.309 159 HB2 PHE 22 1HB PHE 22 3.876 -5.290 3.620 160 HB3 PHE 22 2HB PHE 22 5.206 -6.348 3.158 161 HD1 PHE 22 HD1 PHE 22 3.603 -3.548 1.306 162 HD2 PHE 22 HD2 PHE 22 7.111 -5.043 3.197 163 HE1 PHE 22 HE1 PHE 22 4.866 -1.598 0.497 164 HE2 PHE 22 HE2 PHE 22 8.379 -3.094 2.392 165 HZ PHE 22 HZ PHE 22 7.257 -1.368 1.040 166 H SER 23 H SER 23 4.966 -8.400 1.756 167 HA SER 23 HA SER 23 6.847 -8.026 -0.214 168 HB2 SER 23 1HB SER 23 6.615 -9.968 1.449 169 HB3 SER 23 2HB SER 23 5.552 -10.709 0.252 170 HG SER 23 HG SER 23 7.996 -11.108 0.250 171 H LEU 24 H LEU 24 3.509 -9.072 -0.545 172 HA LEU 24 HA LEU 24 3.686 -9.804 -3.288 173 HB2 LEU 24 1HB LEU 24 1.372 -9.107 -1.499 174 HB3 LEU 24 2HB LEU 24 1.166 -9.560 -3.190 175 HG LEU 24 HG LEU 24 2.534 -11.689 -2.418 176 HD11 LEU 24 1HD1 LEU 24 1.051 -11.677 0.048 177 HD12 LEU 24 2HD1 LEU 24 2.212 -10.351 0.012 178 HD13 LEU 24 3HD1 LEU 24 2.761 -12.009 -0.234 179 HD21 LEU 24 3HD2 LEU 24 0.539 -12.851 -2.429 180 HD22 LEU 24 1HD2 LEU 24 0.099 -11.363 -3.268 181 HD23 LEU 24 2HD2 LEU 24 -0.331 -11.579 -1.571 182 H PHE 25 H PHE 25 2.693 -6.858 -1.596 183 HA PHE 25 HA PHE 25 1.771 -5.395 -3.777 184 HB2 PHE 25 1HB PHE 25 1.556 -4.724 -1.381 185 HB3 PHE 25 2HB PHE 25 3.262 -4.291 -1.389 186 HD1 PHE 25 HD1 PHE 25 0.341 -3.667 -3.632 187 HD2 PHE 25 HD2 PHE 25 3.619 -2.035 -1.462 188 HE1 PHE 25 HE1 PHE 25 -0.240 -1.419 -4.449 189 HE2 PHE 25 HE2 PHE 25 3.042 0.214 -2.274 190 HZ PHE 25 HZ PHE 25 1.111 0.525 -3.770 191 H LYS 26 H LYS 26 5.054 -5.692 -2.477 192 HA LYS 26 HA LYS 26 6.290 -3.857 -4.207 193 HB2 LYS 26 1HB LYS 26 7.242 -6.154 -2.546 194 HB3 LYS 26 2HB LYS 26 8.346 -5.429 -3.707 195 HG2 LYS 26 1HG LYS 26 8.117 -3.275 -2.638 196 HG3 LYS 26 2HG LYS 26 6.916 -3.929 -1.522 197 HD2 LYS 26 1HD LYS 26 9.688 -5.072 -1.718 198 HD3 LYS 26 2HD LYS 26 9.320 -3.697 -0.675 199 HE2 LYS 26 1HE LYS 26 7.783 -4.975 0.608 200 HE3 LYS 26 2HE LYS 26 7.812 -6.300 -0.555 201 HZ1 LYS 26 3HZ LYS 26 9.162 -6.973 1.223 202 HZ2 LYS 26 1HZ LYS 26 9.948 -5.477 1.322 203 HZ3 LYS 26 2HZ LYS 26 10.246 -6.506 0.012 204 H SER 27 H SER 27 5.378 -7.203 -4.610 205 HA SER 27 HA SER 27 6.949 -7.742 -6.905 206 HB2 SER 27 1HB SER 27 5.967 -9.530 -5.523 207 HB3 SER 27 2HB SER 27 4.352 -9.025 -6.019 208 HG SER 27 HG SER 27 6.409 -10.109 -7.641 209 H LEU 28 H LEU 28 3.773 -6.339 -6.421 210 HA LEU 28 HA LEU 28 3.090 -6.371 -9.216 211 HB2 LEU 28 1HB LEU 28 1.821 -4.774 -7.000 212 HB3 LEU 28 2HB LEU 28 1.121 -5.158 -8.571 213 HG LEU 28 HG LEU 28 1.806 -7.287 -6.562 214 HD11 LEU 28 1HD1 LEU 28 -0.323 -7.174 -5.620 215 HD12 LEU 28 2HD1 LEU 28 -0.939 -6.128 -6.901 216 HD13 LEU 28 3HD1 LEU 28 0.190 -5.489 -5.706 217 HD21 LEU 28 3HD2 LEU 28 1.014 -8.692 -8.090 218 HD22 LEU 28 1HD2 LEU 28 0.980 -7.346 -9.230 219 HD23 LEU 28 2HD2 LEU 28 -0.457 -7.739 -8.286 220 H LEU 29 H LEU 29 4.682 -4.204 -7.024 221 HA LEU 29 HA LEU 29 4.535 -1.980 -8.903 222 HB2 LEU 29 1HB LEU 29 5.339 -2.320 -6.069 223 HB3 LEU 29 2HB LEU 29 6.108 -1.022 -6.980 224 HG LEU 29 HG LEU 29 4.136 -0.312 -5.638 225 HD11 LEU 29 1HD1 LEU 29 3.456 0.072 -8.516 226 HD12 LEU 29 2HD1 LEU 29 4.979 0.698 -7.889 227 HD13 LEU 29 3HD1 LEU 29 3.452 1.237 -7.193 228 HD21 LEU 29 3HD2 LEU 29 2.132 -1.221 -7.487 229 HD22 LEU 29 1HD2 LEU 29 2.196 -1.388 -5.732 230 HD23 LEU 29 2HD2 LEU 29 2.968 -2.594 -6.762 231 H ALA 30 H ALA 30 6.664 -4.511 -7.959 232 HA ALA 30 HA ALA 30 9.190 -3.750 -8.314 233 HB1 ALA 30 3HB ALA 30 8.499 -6.091 -8.097 234 HB2 ALA 30 1HB ALA 30 7.972 -6.088 -9.780 235 HB3 ALA 30 2HB ALA 30 9.680 -5.876 -9.391 236 H ARG 31 H ARG 31 6.921 -4.201 -11.014 237 HA ARG 31 HA ARG 31 8.741 -3.496 -13.052 238 HB2 ARG 31 1HB ARG 31 6.429 -2.896 -14.225 239 HB3 ARG 31 2HB ARG 31 6.936 -4.559 -13.962 240 HG2 ARG 31 1HG ARG 31 5.357 -3.242 -11.825 241 HG3 ARG 31 2HG ARG 31 4.523 -3.706 -13.311 242 HD2 ARG 31 1HD ARG 31 6.319 -5.696 -12.026 243 HD3 ARG 31 2HD ARG 31 4.765 -5.366 -11.262 244 HE ARG 31 HE ARG 31 5.209 -6.870 -13.630 245 HH11 ARG 31 1HH1 ARG 31 2.969 -4.672 -12.122 246 HH12 ARG 31 2HH1 ARG 31 1.596 -5.268 -12.994 247 HH21 ARG 31 1HH2 ARG 31 3.409 -7.663 -14.784 248 HH22 ARG 31 2HH2 ARG 31 1.847 -6.969 -14.507 249 H ASP 32 H ASP 32 6.218 -1.605 -11.401 250 HA ASP 32 HA ASP 32 6.743 0.817 -12.751 251 HB2 ASP 32 1HB ASP 32 5.384 0.168 -10.142 252 HB3 ASP 32 2HB ASP 32 5.566 1.828 -10.703 253 H LEU 33 H LEU 33 7.537 -0.064 -9.383 254 HA LEU 33 HA LEU 33 9.363 2.114 -9.097 255 HB2 LEU 33 1HB LEU 33 8.938 -0.343 -7.402 256 HB3 LEU 33 2HB LEU 33 9.936 1.038 -6.948 257 HG LEU 33 HG LEU 33 6.958 1.137 -7.422 258 HD11 LEU 33 1HD1 LEU 33 7.517 -0.187 -5.447 259 HD12 LEU 33 2HD1 LEU 33 6.768 1.347 -5.004 260 HD13 LEU 33 3HD1 LEU 33 8.511 1.137 -4.838 261 HD21 LEU 33 3HD2 LEU 33 7.237 3.338 -7.504 262 HD22 LEU 33 1HD2 LEU 33 8.973 3.165 -7.238 263 HD23 LEU 33 2HD2 LEU 33 7.877 3.287 -5.861 264 H ASN 34 H ASN 34 9.643 -0.572 -10.894 265 HA ASN 34 HA ASN 34 11.355 -1.860 -11.688 266 HB2 ASN 34 1HB ASN 34 13.392 -0.610 -12.245 267 HB3 ASN 34 2HB ASN 34 11.952 0.334 -12.615 268 HD21 ASN 34 1HD2 ASN 34 14.649 -0.047 -10.436 269 HD22 ASN 34 2HD2 ASN 34 14.573 1.538 -9.754 270 H LEU 35 H LEU 35 10.869 -2.297 -8.963 271 HA LEU 35 HA LEU 35 13.084 -2.169 -7.282 272 HB2 LEU 35 1HB LEU 35 11.020 -4.363 -7.364 273 HB3 LEU 35 2HB LEU 35 12.037 -3.924 -5.993 274 HG LEU 35 HG LEU 35 9.968 -2.086 -7.185 275 HD11 LEU 35 1HD1 LEU 35 8.382 -3.268 -6.189 276 HD12 LEU 35 2HD1 LEU 35 9.186 -3.021 -4.639 277 HD13 LEU 35 3HD1 LEU 35 9.576 -4.435 -5.619 278 HD21 LEU 35 3HD2 LEU 35 10.448 -0.635 -5.505 279 HD22 LEU 35 1HD2 LEU 35 12.034 -1.393 -5.656 280 HD23 LEU 35 2HD2 LEU 35 10.926 -1.912 -4.386 281 H GLU 36 H GLU 36 13.913 -4.521 -6.406 282 HA GLU 36 HA GLU 36 15.681 -5.412 -8.480 283 HB2 GLU 36 1HB GLU 36 15.351 -5.933 -5.570 284 HB3 GLU 36 2HB GLU 36 16.204 -7.145 -6.516 285 HG2 GLU 36 1HG GLU 36 17.486 -5.181 -5.354 286 HG3 GLU 36 2HG GLU 36 17.976 -5.779 -6.938 287 H ARG 37 H ARG 37 16.065 -7.943 -8.497 288 HA ARG 37 HA ARG 37 13.578 -9.070 -9.489 289 HB2 ARG 37 1HB ARG 37 16.460 -9.929 -9.647 290 HB3 ARG 37 2HB ARG 37 15.149 -10.976 -10.170 291 HG2 ARG 37 1HG ARG 37 15.668 -9.996 -12.152 292 HG3 ARG 37 2HG ARG 37 14.469 -8.842 -11.565 293 HD2 ARG 37 1HD ARG 37 16.103 -7.291 -10.933 294 HD3 ARG 37 2HD ARG 37 17.389 -8.497 -10.975 295 HE ARG 37 HE ARG 37 16.396 -8.313 -13.550 296 HH11 ARG 37 1HH1 ARG 37 17.954 -6.221 -11.244 297 HH12 ARG 37 2HH1 ARG 37 18.716 -5.241 -12.453 298 HH21 ARG 37 1HH2 ARG 37 17.395 -7.031 -15.150 299 HH22 ARG 37 2HH2 ARG 37 18.397 -5.702 -14.674 300 H ASP 38 H ASP 38 16.151 -10.036 -7.222 301 HA ASP 38 HA ASP 38 14.163 -11.713 -5.837 302 HB2 ASP 38 1HB ASP 38 17.024 -12.266 -6.539 303 HB3 ASP 38 2HB ASP 38 16.316 -13.014 -5.109 304 H ASN 39 H ASN 39 16.001 -8.991 -5.625 305 HA ASN 39 HA ASN 39 16.457 -9.248 -2.737 306 HB2 ASN 39 1HB ASN 39 18.228 -8.409 -4.518 307 HB3 ASN 39 2HB ASN 39 17.391 -6.876 -4.295 308 HD21 ASN 39 1HD2 ASN 39 19.415 -6.110 -3.462 309 HD22 ASN 39 2HD2 ASN 39 19.843 -6.426 -1.817 310 H GLN 40 H GLN 40 13.810 -8.903 -3.799 311 HA GLN 40 HA GLN 40 13.098 -6.132 -3.345 312 HB2 GLN 40 1HB GLN 40 11.628 -8.593 -4.196 313 HB3 GLN 40 2HB GLN 40 10.716 -7.226 -3.568 314 HG2 GLN 40 1HG GLN 40 11.733 -5.790 -5.286 315 HG3 GLN 40 2HG GLN 40 12.575 -7.196 -5.934 316 HE21 GLN 40 1HE2 GLN 40 11.612 -8.256 -7.511 317 HE22 GLN 40 2HE2 GLN 40 9.933 -8.179 -7.908 318 H GLU 41 H GLU 41 13.615 -8.844 -1.441 319 HA GLU 41 HA GLU 41 11.608 -8.299 0.555 320 HB2 GLU 41 1HB GLU 41 13.856 -10.248 0.268 321 HB3 GLU 41 2HB GLU 41 13.178 -9.962 1.865 322 HG2 GLU 41 1HG GLU 41 10.927 -10.494 0.898 323 HG3 GLU 41 2HG GLU 41 11.761 -11.004 -0.569 324 H GLN 42 H GLN 42 15.142 -7.967 0.340 325 HA GLN 42 HA GLN 42 15.756 -6.997 2.809 326 HB2 GLN 42 1HB GLN 42 17.595 -5.748 1.753 327 HB3 GLN 42 2HB GLN 42 17.442 -7.370 1.093 328 HG2 GLN 42 1HG GLN 42 16.689 -6.624 -0.943 329 HG3 GLN 42 2HG GLN 42 16.084 -5.106 -0.282 330 HE21 GLN 42 1HE2 GLN 42 17.304 -4.490 -2.343 331 HE22 GLN 42 2HE2 GLN 42 18.954 -4.027 -2.129 332 H TYR 43 H TYR 43 13.950 -5.396 0.315 333 HA TYR 43 HA TYR 43 14.188 -2.748 1.310 334 HB2 TYR 43 1HB TYR 43 12.240 -4.101 -0.545 335 HB3 TYR 43 2HB TYR 43 12.038 -2.418 -0.069 336 HD1 TYR 43 HD1 TYR 43 14.662 -1.284 -0.129 337 HD2 TYR 43 HD2 TYR 43 12.977 -4.200 -2.728 338 HE1 TYR 43 HE1 TYR 43 16.218 -0.591 -1.903 339 HE2 TYR 43 HE2 TYR 43 14.530 -3.517 -4.510 340 HH TYR 43 HH TYR 43 15.861 -1.559 -5.140 341 H THR 44 H THR 44 12.413 -1.480 2.236 342 HA THR 44 HA THR 44 10.593 -3.066 3.916 343 HB THR 44 HB THR 44 10.981 -1.571 5.813 344 HG1 THR 44 HG1 THR 44 12.373 0.101 5.693 345 HG21 THR 44 3HG2 THR 44 12.971 -2.533 6.548 346 HG22 THR 44 1HG2 THR 44 13.703 -2.483 4.945 347 HG23 THR 44 2HG2 THR 44 12.432 -3.655 5.297 348 H THR 45 H THR 45 8.786 -1.776 4.801 349 HA THR 45 HA THR 45 7.323 -0.489 2.860 350 HB THR 45 HB THR 45 5.979 0.501 4.759 351 HG1 THR 45 HG1 THR 45 6.601 -0.347 6.864 352 HG21 THR 45 3HG2 THR 45 5.020 -1.475 4.207 353 HG22 THR 45 1HG2 THR 45 5.660 -1.977 5.770 354 HG23 THR 45 2HG2 THR 45 6.543 -2.360 4.292 355 H ILE 46 H ILE 46 9.872 0.779 4.802 356 HA ILE 46 HA ILE 46 9.177 3.543 4.517 357 HB ILE 46 HB ILE 46 11.691 2.141 5.395 358 HG12 ILE 46 1HG1 ILE 46 9.826 2.164 6.981 359 HG13 ILE 46 2HG1 ILE 46 11.140 3.183 7.557 360 HG21 ILE 46 1HG2 ILE 46 11.237 5.109 5.126 361 HG22 ILE 46 2HG2 ILE 46 12.593 4.365 5.971 362 HG23 ILE 46 3HG2 ILE 46 12.406 4.135 4.233 363 HD11 ILE 46 3HD1 ILE 46 9.709 4.846 7.785 364 HD12 ILE 46 1HD1 ILE 46 9.423 4.825 6.045 365 HD13 ILE 46 2HD1 ILE 46 8.414 3.853 7.116 366 H GLN 47 H GLN 47 12.053 1.821 3.299 367 HA GLN 47 HA GLN 47 12.906 3.642 1.456 368 HB2 GLN 47 1HB GLN 47 12.932 0.633 1.169 369 HB3 GLN 47 2HB GLN 47 13.906 1.745 0.214 370 HG2 GLN 47 1HG GLN 47 14.754 2.562 2.534 371 HG3 GLN 47 2HG GLN 47 14.156 0.999 3.089 372 HE21 GLN 47 1HE2 GLN 47 15.447 -0.695 2.893 373 HE22 GLN 47 2HE2 GLN 47 16.889 -0.759 1.942 374 H ILE 48 H ILE 48 10.378 1.212 1.025 375 HA ILE 48 HA ILE 48 9.938 1.716 -1.729 376 HB ILE 48 HB ILE 48 7.977 0.598 0.277 377 HG12 ILE 48 1HG1 ILE 48 10.215 -0.581 0.141 378 HG13 ILE 48 2HG1 ILE 48 8.813 -1.576 -0.235 379 HG21 ILE 48 1HG2 ILE 48 6.826 -0.343 -1.581 380 HG22 ILE 48 2HG2 ILE 48 7.072 1.367 -1.930 381 HG23 ILE 48 3HG2 ILE 48 8.096 0.155 -2.698 382 HD11 ILE 48 3HD1 ILE 48 9.302 -1.594 -2.517 383 HD12 ILE 48 1HD1 ILE 48 10.411 -0.231 -2.381 384 HD13 ILE 48 2HD1 ILE 48 10.861 -1.804 -1.723 385 H ALA 49 H ALA 49 8.417 2.938 1.226 386 HA ALA 49 HA ALA 49 6.313 4.367 0.143 387 HB1 ALA 49 3HB ALA 49 6.419 4.177 2.488 388 HB2 ALA 49 1HB ALA 49 8.025 4.905 2.554 389 HB3 ALA 49 2HB ALA 49 6.623 5.895 2.145 390 H ASN 50 H ASN 50 9.553 5.659 0.913 391 HA ASN 50 HA ASN 50 9.216 8.193 -0.150 392 HB2 ASN 50 1HB ASN 50 11.683 6.467 0.074 393 HB3 ASN 50 2HB ASN 50 11.737 8.145 -0.460 394 HD21 ASN 50 1HD2 ASN 50 11.994 6.139 2.144 395 HD22 ASN 50 2HD2 ASN 50 11.727 7.284 3.410 396 H MET 51 H MET 51 10.282 5.223 -1.758 397 HA MET 51 HA MET 51 10.958 6.276 -4.237 398 HB2 MET 51 1HB MET 51 9.877 3.604 -3.387 399 HB3 MET 51 2HB MET 51 10.182 3.952 -5.083 400 HG2 MET 51 1HG MET 51 12.532 4.693 -4.149 401 HG3 MET 51 2HG MET 51 12.092 3.595 -2.843 402 HE1 MET 51 3HE MET 51 11.545 1.299 -3.001 403 HE2 MET 51 1HE MET 51 12.172 0.172 -4.205 404 HE3 MET 51 2HE MET 51 13.284 1.050 -3.155 405 H MET 52 H MET 52 7.805 5.454 -2.912 406 HA MET 52 HA MET 52 6.419 5.897 -5.393 407 HB2 MET 52 1HB MET 52 5.385 5.600 -2.568 408 HB3 MET 52 2HB MET 52 4.374 5.664 -4.006 409 HG2 MET 52 1HG MET 52 5.618 3.643 -4.835 410 HG3 MET 52 2HG MET 52 6.346 3.534 -3.234 411 HE1 MET 52 3HE MET 52 2.542 3.058 -5.045 412 HE2 MET 52 1HE MET 52 4.103 2.372 -5.499 413 HE3 MET 52 2HE MET 52 2.937 1.394 -4.607 414 H GLU 53 H GLU 53 6.813 7.668 -2.344 415 HA GLU 53 HA GLU 53 5.151 9.788 -2.662 416 HB2 GLU 53 1HB GLU 53 7.936 9.632 -1.552 417 HB3 GLU 53 2HB GLU 53 7.075 11.164 -1.587 418 HG2 GLU 53 1HG GLU 53 5.470 10.448 -0.078 419 HG3 GLU 53 2HG GLU 53 5.813 8.744 -0.372 420 H GLU 54 H GLU 54 8.421 9.540 -4.045 421 HA GLU 54 HA GLU 54 8.167 12.002 -5.492 422 HB2 GLU 54 1HB GLU 54 10.315 11.329 -6.534 423 HB3 GLU 54 2HB GLU 54 10.360 11.285 -4.777 424 HG2 GLU 54 1HG GLU 54 11.377 9.312 -5.211 425 HG3 GLU 54 2HG GLU 54 9.703 8.757 -5.187 426 H LYS 55 H LYS 55 8.309 8.576 -6.463 427 HA LYS 55 HA LYS 55 7.938 8.878 -9.182 428 HB2 LYS 55 1HB LYS 55 8.454 6.736 -8.052 429 HB3 LYS 55 2HB LYS 55 6.805 6.677 -7.445 430 HG2 LYS 55 1HG LYS 55 6.621 5.324 -9.269 431 HG3 LYS 55 2HG LYS 55 6.200 6.878 -9.992 432 HD2 LYS 55 1HD LYS 55 7.737 6.097 -11.511 433 HD3 LYS 55 2HD LYS 55 8.783 7.019 -10.430 434 HE2 LYS 55 1HE LYS 55 9.049 4.781 -9.163 435 HE3 LYS 55 2HE LYS 55 8.429 4.051 -10.643 436 HZ1 LYS 55 3HZ LYS 55 10.894 4.183 -10.503 437 HZ2 LYS 55 1HZ LYS 55 10.771 5.869 -10.571 438 HZ3 LYS 55 2HZ LYS 55 10.241 4.929 -11.874 439 H PHE 56 H PHE 56 5.327 8.001 -6.911 440 HA PHE 56 HA PHE 56 3.427 9.303 -8.740 441 HB2 PHE 56 1HB PHE 56 2.497 7.509 -6.549 442 HB3 PHE 56 2HB PHE 56 1.833 7.749 -8.161 443 HD1 PHE 56 HD2 PHE 56 2.790 6.584 -10.085 444 HD2 PHE 56 HD1 PHE 56 4.204 5.888 -6.131 445 HE1 PHE 56 HE2 PHE 56 3.900 4.526 -10.849 446 HE2 PHE 56 HE1 PHE 56 5.318 3.830 -6.889 447 HZ PHE 56 HZ PHE 56 5.166 3.145 -9.250 448 HA PRO 57 HA PRO 57 3.595 12.161 -5.133 449 HB2 PRO 57 1HB PRO 57 3.242 14.402 -6.625 450 HB3 PRO 57 2HB PRO 57 4.825 13.660 -6.365 451 HG2 PRO 57 1HG PRO 57 2.989 13.433 -8.719 452 HG3 PRO 57 2HG PRO 57 4.749 13.651 -8.689 453 HD2 PRO 57 1HD PRO 57 3.588 11.245 -9.128 454 HD3 PRO 57 2HD PRO 57 5.147 11.415 -8.297 455 H ALA 58 H ALA 58 1.285 11.045 -7.237 456 HA ALA 58 HA ALA 58 -0.823 12.908 -6.719 457 HB1 ALA 58 3HB ALA 58 -1.295 10.081 -7.578 458 HB2 ALA 58 1HB ALA 58 -2.173 11.547 -8.019 459 HB3 ALA 58 2HB ALA 58 -0.568 11.246 -8.685 460 H ASP 59 H ASP 59 -0.335 9.524 -5.688 461 HA ASP 59 HA ASP 59 -1.869 10.157 -3.252 462 HB2 ASP 59 1HB ASP 59 -1.721 7.425 -4.524 463 HB3 ASP 59 2HB ASP 59 -2.822 7.976 -3.264 464 H SER 60 H SER 60 1.123 9.426 -4.426 465 HA SER 60 HA SER 60 3.079 8.710 -3.510 466 HB2 SER 60 1HB SER 60 1.762 9.024 -0.813 467 HB3 SER 60 2HB SER 60 3.468 9.209 -1.220 468 HG SER 60 HG SER 60 1.562 10.864 -2.450 469 H GLY 61 H GLY 61 1.034 6.750 -4.162 470 HA2 GLY 61 1HA GLY 61 1.341 4.394 -4.114 471 HA3 GLY 61 2HA GLY 61 2.087 4.552 -2.530 472 H LEU 62 H LEU 62 -0.110 6.353 -1.627 473 HA LEU 62 HA LEU 62 -1.658 4.651 -0.194 474 HB2 LEU 62 1HB LEU 62 -1.867 6.898 0.346 475 HB3 LEU 62 2HB LEU 62 -2.220 7.364 -1.318 476 HG LEU 62 HG LEU 62 -4.437 6.128 -1.005 477 HD11 LEU 62 1HD1 LEU 62 -3.350 5.268 1.313 478 HD12 LEU 62 2HD1 LEU 62 -5.084 5.366 1.008 479 HD13 LEU 62 3HD1 LEU 62 -4.268 6.662 1.881 480 HD21 LEU 62 3HD2 LEU 62 -5.099 8.247 -0.987 481 HD22 LEU 62 1HD2 LEU 62 -3.578 8.763 -0.259 482 HD23 LEU 62 2HD2 LEU 62 -4.916 8.247 0.767 483 H GLY 63 H GLY 63 -2.375 5.840 -3.464 484 HA2 GLY 63 1HA GLY 63 -4.853 4.458 -3.696 485 HA3 GLY 63 2HA GLY 63 -3.927 5.154 -5.017 486 H LYS 64 H LYS 64 -1.771 3.840 -5.384 487 HA LYS 64 HA LYS 64 -2.374 1.464 -6.576 488 HB2 LYS 64 1HB LYS 64 -0.177 2.842 -6.585 489 HB3 LYS 64 2HB LYS 64 0.289 1.822 -5.232 490 HG2 LYS 64 1HG LYS 64 1.215 0.743 -7.058 491 HG3 LYS 64 2HG LYS 64 -0.288 -0.144 -6.789 492 HD2 LYS 64 1HD LYS 64 -1.340 0.855 -8.624 493 HD3 LYS 64 2HD LYS 64 -0.164 2.169 -8.698 494 HE2 LYS 64 1HE LYS 64 1.524 0.709 -9.536 495 HE3 LYS 64 2HE LYS 64 0.530 -0.713 -9.228 496 HZ1 LYS 64 3HZ LYS 64 -0.395 -0.502 -11.213 497 HZ2 LYS 64 1HZ LYS 64 0.668 0.767 -11.561 498 HZ3 LYS 64 2HZ LYS 64 -0.853 1.096 -10.901 499 H LEU 65 H LEU 65 -1.562 2.002 -3.201 500 HA LEU 65 HA LEU 65 -1.329 -0.761 -2.523 501 HB2 LEU 65 1HB LEU 65 -0.366 1.226 -1.270 502 HB3 LEU 65 2HB LEU 65 -1.991 1.486 -0.637 503 HG LEU 65 HG LEU 65 -0.401 0.273 0.888 504 HD11 LEU 65 1HD1 LEU 65 -3.111 -0.056 0.458 505 HD12 LEU 65 2HD1 LEU 65 -2.203 -0.573 1.878 506 HD13 LEU 65 3HD1 LEU 65 -2.492 -1.705 0.558 507 HD21 LEU 65 3HD2 LEU 65 0.225 -1.949 0.471 508 HD22 LEU 65 1HD2 LEU 65 0.556 -1.095 -1.038 509 HD23 LEU 65 2HD2 LEU 65 -0.888 -2.098 -0.890 510 H ILE 66 H ILE 66 -3.832 1.661 -1.736 511 HA ILE 66 HA ILE 66 -5.716 0.255 -0.480 512 HB ILE 66 HB ILE 66 -6.095 2.193 -2.746 513 HG12 ILE 66 1HG1 ILE 66 -6.945 2.614 0.091 514 HG13 ILE 66 2HG1 ILE 66 -5.233 2.718 -0.308 515 HG21 ILE 66 1HG2 ILE 66 -8.028 0.742 -2.793 516 HG22 ILE 66 2HG2 ILE 66 -8.242 0.927 -1.053 517 HG23 ILE 66 3HG2 ILE 66 -8.479 2.309 -2.121 518 HD11 ILE 66 3HD1 ILE 66 -6.614 4.867 -0.304 519 HD12 ILE 66 1HD1 ILE 66 -5.544 4.571 -1.675 520 HD13 ILE 66 2HD1 ILE 66 -7.278 4.283 -1.829 521 H GLU 67 H GLU 67 -5.310 0.172 -4.016 522 HA GLU 67 HA GLU 67 -7.351 -1.634 -4.590 523 HB2 GLU 67 1HB GLU 67 -4.728 -1.099 -5.982 524 HB3 GLU 67 2HB GLU 67 -5.949 -2.182 -6.635 525 HG2 GLU 67 1HG GLU 67 -6.692 0.609 -5.897 526 HG3 GLU 67 2HG GLU 67 -5.848 0.292 -7.411 527 H PHE 68 H PHE 68 -3.931 -2.244 -3.856 528 HA PHE 68 HA PHE 68 -3.872 -4.986 -4.219 529 HB2 PHE 68 1HB PHE 68 -1.820 -3.848 -3.815 530 HB3 PHE 68 2HB PHE 68 -2.390 -3.222 -2.272 531 HD1 PHE 68 HD1 PHE 68 -1.346 -6.291 -4.041 532 HD2 PHE 68 HD2 PHE 68 -2.124 -4.450 -0.284 533 HE1 PHE 68 HE1 PHE 68 -0.334 -8.217 -2.893 534 HE2 PHE 68 HE2 PHE 68 -1.113 -6.372 0.872 535 HZ PHE 68 HZ PHE 68 -0.215 -8.259 -0.433 536 H CYS 69 H CYS 69 -5.219 -3.120 -1.599 537 HA CYS 69 HA CYS 69 -5.523 -5.338 0.192 538 HB2 CYS 69 1HB CYS 69 -6.500 -2.499 0.155 539 HB3 CYS 69 2HB CYS 69 -7.157 -3.645 1.317 540 HG CYS 69 HG CYS 69 -4.291 -1.999 1.382 541 H GLU 70 H GLU 70 -7.375 -3.942 -2.384 542 HA GLU 70 HA GLU 70 -9.922 -4.932 -1.695 543 HB2 GLU 70 1HB GLU 70 -8.726 -4.280 -4.392 544 HB3 GLU 70 2HB GLU 70 -10.424 -4.656 -4.132 545 HG2 GLU 70 1HG GLU 70 -10.413 -2.720 -2.467 546 HG3 GLU 70 2HG GLU 70 -8.873 -2.271 -3.196 547 H GLU 71 H GLU 71 -7.669 -6.178 -4.168 548 HA GLU 71 HA GLU 71 -8.866 -8.467 -4.917 549 HB2 GLU 71 1HB GLU 71 -6.789 -9.296 -5.576 550 HB3 GLU 71 2HB GLU 71 -6.526 -7.559 -5.519 551 HG2 GLU 71 1HG GLU 71 -5.543 -7.828 -3.263 552 HG3 GLU 71 2HG GLU 71 -5.707 -9.574 -3.441 553 H VAL 72 H VAL 72 -7.528 -7.816 -1.783 554 HA VAL 72 HA VAL 72 -8.030 -10.595 -0.956 555 HB VAL 72 HB VAL 72 -6.509 -8.501 0.593 556 HG11 VAL 72 1HG1 VAL 72 -7.074 -11.406 0.939 557 HG12 VAL 72 2HG1 VAL 72 -5.539 -10.759 1.521 558 HG13 VAL 72 3HG1 VAL 72 -7.061 -10.109 2.134 559 HG21 VAL 72 3HG2 VAL 72 -5.523 -10.545 -1.385 560 HG22 VAL 72 1HG2 VAL 72 -5.269 -8.799 -1.404 561 HG23 VAL 72 2HG2 VAL 72 -4.480 -9.793 -0.179 562 HA PRO 73 HA PRO 73 -11.684 -9.033 1.048 563 HB2 PRO 73 1HB PRO 73 -12.389 -11.378 2.222 564 HB3 PRO 73 2HB PRO 73 -12.649 -11.046 0.505 565 HG2 PRO 73 1HG PRO 73 -10.458 -12.602 1.823 566 HG3 PRO 73 2HG PRO 73 -11.376 -12.986 0.355 567 HD2 PRO 73 1HD PRO 73 -8.885 -11.927 0.279 568 HD3 PRO 73 2HD PRO 73 -10.109 -11.577 -0.958 569 H ALA 74 H ALA 74 -8.940 -10.505 2.572 570 HA ALA 74 HA ALA 74 -9.851 -10.025 5.268 571 HB1 ALA 74 3HB ALA 74 -8.210 -11.413 5.850 572 HB2 ALA 74 1HB ALA 74 -7.945 -11.673 4.125 573 HB3 ALA 74 2HB ALA 74 -6.998 -10.462 4.991 574 H LEU 75 H LEU 75 -8.224 -8.254 2.824 575 HA LEU 75 HA LEU 75 -7.268 -6.278 4.780 576 HB2 LEU 75 1HB LEU 75 -6.600 -6.589 1.856 577 HB3 LEU 75 2HB LEU 75 -5.930 -5.367 2.935 578 HG LEU 75 HG LEU 75 -5.511 -8.345 3.199 579 HD11 LEU 75 1HD1 LEU 75 -3.076 -7.317 2.712 580 HD12 LEU 75 2HD1 LEU 75 -4.068 -6.225 1.747 581 HD13 LEU 75 3HD1 LEU 75 -4.134 -7.963 1.456 582 HD21 LEU 75 3HD2 LEU 75 -4.617 -5.975 4.796 583 HD22 LEU 75 1HD2 LEU 75 -3.647 -7.448 4.741 584 HD23 LEU 75 2HD2 LEU 75 -5.300 -7.504 5.353 585 H ARG 76 H ARG 76 -9.671 -6.864 2.432 586 HA ARG 76 HA ARG 76 -10.246 -4.375 1.392 587 HB2 ARG 76 1HB ARG 76 -11.863 -6.790 2.028 588 HB3 ARG 76 2HB ARG 76 -12.735 -5.304 1.678 589 HG2 ARG 76 1HG ARG 76 -11.550 -5.134 -0.468 590 HG3 ARG 76 2HG ARG 76 -10.737 -6.661 -0.117 591 HD2 ARG 76 1HD ARG 76 -13.082 -7.644 0.139 592 HD3 ARG 76 2HD ARG 76 -13.654 -6.165 -0.632 593 HE ARG 76 HE ARG 76 -11.642 -7.215 -2.237 594 HH11 ARG 76 1HH1 ARG 76 -14.826 -8.093 -1.137 595 HH12 ARG 76 2HH1 ARG 76 -15.199 -9.025 -2.549 596 HH21 ARG 76 1HH2 ARG 76 -12.121 -8.441 -4.101 597 HH22 ARG 76 2HH2 ARG 76 -13.660 -9.223 -4.234 598 H LYS 77 H LYS 77 -10.655 -5.525 4.630 599 HA LYS 77 HA LYS 77 -12.599 -3.701 5.536 600 HB2 LYS 77 1HB LYS 77 -11.841 -5.756 6.752 601 HB3 LYS 77 2HB LYS 77 -10.348 -4.915 7.148 602 HG2 LYS 77 1HG LYS 77 -11.439 -3.399 8.554 603 HG3 LYS 77 2HG LYS 77 -13.027 -3.794 7.892 604 HD2 LYS 77 1HD LYS 77 -13.078 -4.937 9.889 605 HD3 LYS 77 2HD LYS 77 -12.479 -6.187 8.797 606 HE2 LYS 77 1HE LYS 77 -10.514 -4.426 10.179 607 HE3 LYS 77 2HE LYS 77 -11.302 -5.702 11.104 608 HZ1 LYS 77 3HZ LYS 77 -10.433 -7.342 9.671 609 HZ2 LYS 77 1HZ LYS 77 -9.139 -6.313 10.029 610 HZ3 LYS 77 2HZ LYS 77 -9.918 -6.202 8.532 611 H ARG 78 H ARG 78 -9.112 -3.467 5.184 612 HA ARG 78 HA ARG 78 -8.954 -0.928 6.540 613 HB2 ARG 78 1HB ARG 78 -6.946 -2.497 4.917 614 HB3 ARG 78 2HB ARG 78 -6.585 -0.960 5.691 615 HG2 ARG 78 1HG ARG 78 -7.694 -3.189 7.326 616 HG3 ARG 78 2HG ARG 78 -5.990 -3.208 6.864 617 HD2 ARG 78 1HD ARG 78 -5.726 -0.966 7.849 618 HD3 ARG 78 2HD ARG 78 -7.415 -1.005 8.352 619 HE ARG 78 HE ARG 78 -6.287 -3.264 9.427 620 HH11 ARG 78 1HH1 ARG 78 -5.698 0.161 9.614 621 HH12 ARG 78 2HH1 ARG 78 -5.069 0.098 11.227 622 HH21 ARG 78 1HH2 ARG 78 -5.461 -3.362 11.550 623 HH22 ARG 78 2HH2 ARG 78 -4.933 -1.907 12.328 624 H ALA 79 H ALA 79 -8.754 -2.066 3.184 625 HA ALA 79 HA ALA 79 -8.137 0.212 1.830 626 HB1 ALA 79 3HB ALA 79 -8.404 -1.509 0.376 627 HB2 ALA 79 1HB ALA 79 -9.829 -2.136 1.206 628 HB3 ALA 79 2HB ALA 79 -9.973 -0.737 0.141 629 H GLU 80 H GLU 80 -11.341 -0.684 3.066 630 HA GLU 80 HA GLU 80 -12.724 1.540 2.025 631 HB2 GLU 80 1HB GLU 80 -14.405 0.998 3.836 632 HB3 GLU 80 2HB GLU 80 -14.014 -0.319 2.739 633 HG2 GLU 80 1HG GLU 80 -12.645 -1.379 4.364 634 HG3 GLU 80 2HG GLU 80 -12.722 0.024 5.430 635 H ILE 81 H ILE 81 -10.868 1.061 4.956 636 HA ILE 81 HA ILE 81 -11.717 3.463 6.243 637 HB ILE 81 HB ILE 81 -9.289 1.732 6.717 638 HG12 ILE 81 1HG1 ILE 81 -11.930 1.955 8.179 639 HG13 ILE 81 2HG1 ILE 81 -11.429 0.615 7.154 640 HG21 ILE 81 1HG2 ILE 81 -8.506 3.265 8.115 641 HG22 ILE 81 2HG2 ILE 81 -9.800 4.356 7.623 642 HG23 ILE 81 3HG2 ILE 81 -10.035 3.274 8.995 643 HD11 ILE 81 3HD1 ILE 81 -11.162 0.709 9.852 644 HD12 ILE 81 1HD1 ILE 81 -10.217 -0.320 8.776 645 HD13 ILE 81 2HD1 ILE 81 -9.563 1.227 9.317 646 H LEU 82 H LEU 82 -8.948 2.567 4.236 647 HA LEU 82 HA LEU 82 -7.579 5.039 4.504 648 HB2 LEU 82 1HB LEU 82 -7.398 3.079 2.224 649 HB3 LEU 82 2HB LEU 82 -6.198 4.283 2.689 650 HG LEU 82 HG LEU 82 -6.970 2.035 4.527 651 HD11 LEU 82 1HD1 LEU 82 -4.881 0.918 3.660 652 HD12 LEU 82 2HD1 LEU 82 -4.964 2.021 2.287 653 HD13 LEU 82 3HD1 LEU 82 -6.278 0.883 2.585 654 HD21 LEU 82 3HD2 LEU 82 -5.470 4.275 4.932 655 HD22 LEU 82 1HD2 LEU 82 -4.242 3.096 4.469 656 HD23 LEU 82 2HD2 LEU 82 -5.306 2.768 5.836 657 H LYS 83 H LYS 83 -9.490 3.700 1.804 658 HA LYS 83 HA LYS 83 -9.453 5.855 0.104 659 HB2 LYS 83 1HB LYS 83 -11.855 4.095 0.628 660 HB3 LYS 83 2HB LYS 83 -11.532 5.016 -0.836 661 HG2 LYS 83 1HG LYS 83 -9.984 3.534 -1.597 662 HG3 LYS 83 2HG LYS 83 -9.496 3.039 0.026 663 HD2 LYS 83 1HD LYS 83 -10.629 1.187 -0.914 664 HD3 LYS 83 2HD LYS 83 -11.760 1.925 0.224 665 HE2 LYS 83 1HE LYS 83 -11.832 2.826 -2.609 666 HE3 LYS 83 2HE LYS 83 -12.485 1.233 -2.230 667 HZ1 LYS 83 3HZ LYS 83 -13.842 3.558 -2.030 668 HZ2 LYS 83 1HZ LYS 83 -13.359 3.299 -0.429 669 HZ3 LYS 83 2HZ LYS 83 -14.259 2.121 -1.241 670 H LYS 84 H LYS 84 -11.758 5.261 2.745 671 HA LYS 84 HA LYS 84 -13.508 7.301 2.516 672 HB2 LYS 84 1HB LYS 84 -13.173 5.570 4.429 673 HB3 LYS 84 2HB LYS 84 -12.215 6.836 5.186 674 HG2 LYS 84 1HG LYS 84 -14.250 7.256 6.117 675 HG3 LYS 84 2HG LYS 84 -14.346 8.293 4.692 676 HD2 LYS 84 1HD LYS 84 -15.322 5.462 4.590 677 HD3 LYS 84 2HD LYS 84 -16.341 6.741 5.256 678 HE2 LYS 84 1HE LYS 84 -15.672 7.965 3.019 679 HE3 LYS 84 2HE LYS 84 -15.395 6.315 2.464 680 HZ1 LYS 84 3HZ LYS 84 -17.718 5.860 3.356 681 HZ2 LYS 84 1HZ LYS 84 -17.600 6.753 1.924 682 HZ3 LYS 84 2HZ LYS 84 -17.919 7.540 3.388 683 H GLU 85 H GLU 85 -10.214 7.580 3.793 684 HA GLU 85 HA GLU 85 -10.455 10.399 4.284 685 HB2 GLU 85 1HB GLU 85 -8.013 8.618 4.198 686 HB3 GLU 85 2HB GLU 85 -8.030 10.285 4.757 687 HG2 GLU 85 1HG GLU 85 -9.444 7.942 6.005 688 HG3 GLU 85 2HG GLU 85 -8.058 8.820 6.649 689 H ARG 86 H ARG 86 -8.811 8.390 1.859 690 HA ARG 86 HA ARG 86 -7.499 10.293 0.394 691 HB2 ARG 86 1HB ARG 86 -7.247 7.991 -0.185 692 HB3 ARG 86 2HB ARG 86 -8.964 7.824 -0.530 693 HG2 ARG 86 1HG ARG 86 -8.669 9.408 -2.428 694 HG3 ARG 86 2HG ARG 86 -6.931 9.365 -2.124 695 HD2 ARG 86 1HD ARG 86 -6.772 7.101 -2.710 696 HD3 ARG 86 2HD ARG 86 -8.512 6.855 -2.570 697 HE ARG 86 HE ARG 86 -7.080 7.888 -4.846 698 HH11 ARG 86 1HH1 ARG 86 -10.153 7.680 -3.224 699 HH12 ARG 86 2HH1 ARG 86 -11.077 7.974 -4.659 700 HH21 ARG 86 1HH2 ARG 86 -8.286 8.276 -6.742 701 HH22 ARG 86 2HH2 ARG 86 -10.015 8.312 -6.660 702 H SER 87 H SER 87 -10.931 9.472 0.271 703 HA SER 87 HA SER 87 -11.589 11.089 -1.947 704 HB2 SER 87 1HB SER 87 -12.999 9.238 -0.904 705 HB3 SER 87 2HB SER 87 -13.461 10.416 0.324 706 HG SER 87 HG SER 87 -13.714 11.096 -2.384 707 H GLU 88 H GLU 88 -11.567 13.222 -2.111 708 HA GLU 88 HA GLU 88 -12.131 14.831 0.287 709 HB2 GLU 88 1HB GLU 88 -9.993 15.320 -1.791 710 HB3 GLU 88 2HB GLU 88 -10.480 16.505 -0.587 711 HG2 GLU 88 1HG GLU 88 -9.943 14.554 1.083 712 HG3 GLU 88 2HG GLU 88 -8.948 13.980 -0.253 713 H SER 89 H SER 89 -14.299 14.975 -0.501 714 HA SER 89 HA SER 89 -16.022 15.787 -1.777 715 HB2 SER 89 1HB SER 89 -14.167 18.180 -1.869 716 HB3 SER 89 2HB SER 89 -15.913 18.209 -2.120 717 HG SER 89 HG SER 89 -15.706 18.700 -0.022 718 H GLY 90 H GLY 90 -14.381 14.181 -3.325 719 HA2 GLY 90 1HA GLY 90 -14.112 15.655 -5.863 720 HA3 GLY 90 2HA GLY 90 -13.294 14.148 -5.477 721 HA PRO 91 HA PRO 91 -17.374 13.520 -7.859 722 HB2 PRO 91 1HB PRO 91 -16.332 12.991 -10.310 723 HB3 PRO 91 2HB PRO 91 -16.792 14.618 -9.792 724 HG2 PRO 91 1HG PRO 91 -14.083 13.346 -9.855 725 HG3 PRO 91 2HG PRO 91 -14.562 14.983 -10.339 726 HD2 PRO 91 1HD PRO 91 -13.385 14.456 -7.959 727 HD3 PRO 91 2HD PRO 91 -14.570 15.760 -8.169 728 H SER 92 H SER 92 -17.241 11.653 -6.423 729 HA SER 92 HA SER 92 -16.749 9.229 -7.908 730 HB2 SER 92 1HB SER 92 -14.529 9.849 -6.823 731 HB3 SER 92 2HB SER 92 -15.311 9.551 -5.271 732 HG SER 92 HG SER 92 -15.893 7.434 -6.447 733 H SER 93 H SER 93 -18.403 7.931 -7.505 734 HA SER 93 HA SER 93 -20.131 8.432 -5.242 735 HB2 SER 93 1HB SER 93 -21.649 6.865 -6.274 736 HB3 SER 93 2HB SER 93 -21.002 7.911 -7.538 737 HG SER 93 HG SER 93 -20.793 5.899 -8.344 738 H GLY 94 H GLY 94 -19.759 7.559 -3.320 739 HA2 GLY 94 1HA GLY 94 -19.650 5.695 -1.863 740 HA3 GLY 94 2HA GLY 94 -18.967 4.743 -3.173 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -6.605 -3.932 29.481 2 HA2 GLY 1 1HA GLY 1 -5.770 -1.783 29.979 3 HA3 GLY 1 2HA GLY 1 -4.736 -2.303 28.656 4 H SER 2 H SER 2 -4.488 0.029 28.314 5 HA SER 2 HA SER 2 -6.744 1.542 27.381 6 HB2 SER 2 1HB SER 2 -3.775 2.077 27.459 7 HB3 SER 2 2HB SER 2 -4.914 3.206 26.724 8 HG SER 2 HG SER 2 -4.475 2.606 29.387 9 H SER 3 H SER 3 -7.577 0.374 25.639 10 HA SER 3 HA SER 3 -5.843 0.012 23.307 11 HB2 SER 3 1HB SER 3 -7.411 -1.545 22.491 12 HB3 SER 3 2HB SER 3 -7.390 -1.834 24.230 13 HG SER 3 HG SER 3 -9.514 -1.591 23.079 14 H GLY 4 H GLY 4 -5.814 1.527 21.792 15 HA2 GLY 4 1HA GLY 4 -7.563 2.550 20.168 16 HA3 GLY 4 2HA GLY 4 -8.072 3.399 21.620 17 H SER 5 H SER 5 -5.072 2.723 19.814 18 HA SER 5 HA SER 5 -3.886 5.194 20.704 19 HB2 SER 5 1HB SER 5 -2.883 3.287 18.580 20 HB3 SER 5 2HB SER 5 -1.944 4.514 19.431 21 HG SER 5 HG SER 5 -1.581 2.519 20.388 22 H SER 6 H SER 6 -3.461 7.015 19.488 23 HA SER 6 HA SER 6 -4.934 7.206 16.942 24 HB2 SER 6 1HB SER 6 -4.445 9.292 19.075 25 HB3 SER 6 2HB SER 6 -5.081 9.673 17.475 26 HG SER 6 HG SER 6 -6.332 7.650 18.938 27 H GLY 7 H GLY 7 -3.069 6.508 15.774 28 HA2 GLY 7 1HA GLY 7 -1.344 8.704 15.050 29 HA3 GLY 7 2HA GLY 7 -0.504 7.384 15.850 30 H ILE 8 H ILE 8 -3.105 7.516 13.415 31 HA ILE 8 HA ILE 8 -1.500 5.676 11.767 32 HB ILE 8 HB ILE 8 -4.495 6.074 11.763 33 HG12 ILE 8 1HG1 ILE 8 -4.339 3.596 12.528 34 HG13 ILE 8 2HG1 ILE 8 -2.688 4.004 12.981 35 HG21 ILE 8 1HG2 ILE 8 -2.633 4.593 9.999 36 HG22 ILE 8 2HG2 ILE 8 -4.152 3.803 10.417 37 HG23 ILE 8 3HG2 ILE 8 -4.166 5.380 9.626 38 HD11 ILE 8 3HD1 ILE 8 -3.568 4.581 14.940 39 HD12 ILE 8 1HD1 ILE 8 -4.124 6.035 14.112 40 HD13 ILE 8 2HD1 ILE 8 -5.205 4.652 14.287 41 H VAL 9 H VAL 9 -1.166 6.106 9.619 42 HA VAL 9 HA VAL 9 -2.334 8.547 8.491 43 HB VAL 9 HB VAL 9 -0.071 9.069 9.461 44 HG11 VAL 9 1HG1 VAL 9 1.885 8.160 8.613 45 HG12 VAL 9 2HG1 VAL 9 0.812 6.762 8.684 46 HG13 VAL 9 3HG1 VAL 9 1.100 7.577 7.147 47 HG21 VAL 9 3HG2 VAL 9 -1.170 9.724 6.914 48 HG22 VAL 9 1HG2 VAL 9 -0.170 10.716 7.976 49 HG23 VAL 9 2HG2 VAL 9 0.588 9.669 6.775 50 H LEU 10 H LEU 10 -2.661 8.499 6.300 51 HA LEU 10 HA LEU 10 -3.234 6.258 4.952 52 HB2 LEU 10 1HB LEU 10 -1.860 8.602 3.650 53 HB3 LEU 10 2HB LEU 10 -2.942 7.447 2.875 54 HG LEU 10 HG LEU 10 -3.778 9.383 5.031 55 HD11 LEU 10 1HD1 LEU 10 -3.183 9.901 2.325 56 HD12 LEU 10 2HD1 LEU 10 -3.957 10.968 3.495 57 HD13 LEU 10 3HD1 LEU 10 -4.939 9.913 2.481 58 HD21 LEU 10 3HD2 LEU 10 -5.185 7.327 3.382 59 HD22 LEU 10 1HD2 LEU 10 -6.048 8.768 3.918 60 HD23 LEU 10 2HD2 LEU 10 -5.331 7.679 5.105 61 H LEU 11 H LEU 11 -0.021 7.497 5.505 62 HA LEU 11 HA LEU 11 1.320 5.841 3.622 63 HB2 LEU 11 1HB LEU 11 2.084 7.985 4.960 64 HB3 LEU 11 2HB LEU 11 2.672 6.779 6.102 65 HG LEU 11 HG LEU 11 4.380 7.632 4.488 66 HD11 LEU 11 1HD1 LEU 11 5.112 5.683 5.395 67 HD12 LEU 11 2HD1 LEU 11 4.947 5.155 3.721 68 HD13 LEU 11 3HD1 LEU 11 3.683 4.780 4.891 69 HD21 LEU 11 3HD2 LEU 11 3.533 5.909 2.319 70 HD22 LEU 11 1HD2 LEU 11 4.074 7.587 2.284 71 HD23 LEU 11 2HD2 LEU 11 2.382 7.214 2.616 72 H ARG 12 H ARG 12 0.808 5.596 7.132 73 HA ARG 12 HA ARG 12 2.209 3.319 7.709 74 HB2 ARG 12 1HB ARG 12 -0.369 4.414 8.773 75 HB3 ARG 12 2HB ARG 12 0.226 2.864 9.350 76 HG2 ARG 12 1HG ARG 12 2.001 5.268 9.374 77 HG3 ARG 12 2HG ARG 12 0.815 5.009 10.655 78 HD2 ARG 12 1HD ARG 12 2.617 3.942 11.568 79 HD3 ARG 12 2HD ARG 12 1.886 2.601 10.688 80 HE ARG 12 HE ARG 12 3.747 2.524 9.374 81 HH11 ARG 12 1HH1 ARG 12 3.575 5.662 10.875 82 HH12 ARG 12 2HH1 ARG 12 5.112 6.181 10.265 83 HH21 ARG 12 1HH2 ARG 12 5.770 3.198 8.566 84 HH22 ARG 12 2HH2 ARG 12 6.359 4.779 8.952 85 H GLY 13 H GLY 13 -0.548 3.608 5.690 86 HA2 GLY 13 1HA GLY 13 -1.837 1.198 5.844 87 HA3 GLY 13 2HA GLY 13 -1.565 2.051 4.332 88 H LEU 14 H LEU 14 1.434 1.706 4.941 89 HA LEU 14 HA LEU 14 1.680 -0.790 3.496 90 HB2 LEU 14 1HB LEU 14 3.755 1.189 4.425 91 HB3 LEU 14 2HB LEU 14 4.083 -0.220 3.418 92 HG LEU 14 HG LEU 14 2.255 2.027 2.588 93 HD11 LEU 14 1HD1 LEU 14 5.189 1.625 2.031 94 HD12 LEU 14 2HD1 LEU 14 4.440 2.972 2.888 95 HD13 LEU 14 3HD1 LEU 14 4.150 2.755 1.162 96 HD21 LEU 14 3HD2 LEU 14 2.357 1.075 0.429 97 HD22 LEU 14 1HD2 LEU 14 2.041 -0.264 1.533 98 HD23 LEU 14 2HD2 LEU 14 3.664 -0.016 0.887 99 H GLU 15 H GLU 15 3.112 0.545 6.480 100 HA GLU 15 HA GLU 15 4.237 -1.879 7.354 101 HB2 GLU 15 1HB GLU 15 3.606 0.742 8.624 102 HB3 GLU 15 2HB GLU 15 3.966 -0.617 9.679 103 HG2 GLU 15 1HG GLU 15 5.788 0.114 7.420 104 HG3 GLU 15 2HG GLU 15 5.879 0.937 8.977 105 H CYS 16 H CYS 16 1.044 -0.506 7.717 106 HA CYS 16 HA CYS 16 0.022 -1.942 9.833 107 HB2 CYS 16 1HB CYS 16 -1.198 -0.885 7.309 108 HB3 CYS 16 2HB CYS 16 -2.172 -1.863 8.401 109 HG CYS 16 HG CYS 16 -2.605 0.954 8.730 110 H ILE 17 H ILE 17 0.091 -2.920 6.413 111 HA ILE 17 HA ILE 17 -1.018 -5.498 6.913 112 HB ILE 17 HB ILE 17 -0.177 -6.006 4.580 113 HG12 ILE 17 1HG1 ILE 17 0.477 -3.056 4.552 114 HG13 ILE 17 2HG1 ILE 17 1.693 -4.319 4.704 115 HG21 ILE 17 1HG2 ILE 17 -2.445 -5.091 5.191 116 HG22 ILE 17 2HG2 ILE 17 -1.830 -3.499 4.747 117 HG23 ILE 17 3HG2 ILE 17 -1.914 -4.780 3.538 118 HD11 ILE 17 3HD1 ILE 17 1.813 -4.302 2.495 119 HD12 ILE 17 1HD1 ILE 17 0.222 -5.060 2.483 120 HD13 ILE 17 2HD1 ILE 17 0.364 -3.307 2.354 121 H ASN 18 H ASN 18 -0.056 -7.348 7.475 122 HA ASN 18 HA ASN 18 2.497 -7.463 8.539 123 HB2 ASN 18 1HB ASN 18 0.981 -9.793 7.345 124 HB3 ASN 18 2HB ASN 18 2.237 -9.874 8.575 125 HD21 ASN 18 1HD2 ASN 18 1.783 -8.884 10.645 126 HD22 ASN 18 2HD2 ASN 18 0.155 -8.841 11.222 127 H LYS 19 H LYS 19 4.497 -7.919 7.780 128 HA LYS 19 HA LYS 19 5.408 -7.298 5.352 129 HB2 LYS 19 1HB LYS 19 6.688 -8.204 7.410 130 HB3 LYS 19 2HB LYS 19 6.501 -9.779 6.652 131 HG2 LYS 19 1HG LYS 19 7.641 -7.520 5.074 132 HG3 LYS 19 2HG LYS 19 8.651 -8.369 6.247 133 HD2 LYS 19 1HD LYS 19 7.056 -9.929 4.257 134 HD3 LYS 19 2HD LYS 19 8.572 -9.171 3.763 135 HE2 LYS 19 1HE LYS 19 9.817 -10.420 5.338 136 HE3 LYS 19 2HE LYS 19 8.362 -10.946 6.182 137 HZ1 LYS 19 3HZ LYS 19 8.307 -11.712 3.442 138 HZ2 LYS 19 1HZ LYS 19 8.163 -12.673 4.827 139 HZ3 LYS 19 2HZ LYS 19 9.694 -12.307 4.208 140 H HIS 20 H HIS 20 3.920 -10.381 6.179 141 HA HIS 20 HA HIS 20 4.462 -11.935 4.006 142 HB2 HIS 20 1HB HIS 20 3.143 -12.966 5.623 143 HB3 HIS 20 2HB HIS 20 1.995 -11.631 5.682 144 HD1 HIS 20 HD1 HIS 20 2.811 -14.742 3.780 145 HD2 HIS 20 HD2 HIS 20 -0.049 -11.728 3.768 146 HE1 HIS 20 HE1 HIS 20 0.976 -15.562 2.268 147 HE2 HIS 20 HE2 HIS 20 -0.704 -13.687 2.209 148 H TYR 21 H TYR 21 1.645 -9.753 4.214 149 HA TYR 21 HA TYR 21 0.980 -10.017 1.472 150 HB2 TYR 21 1HB TYR 21 0.116 -8.247 3.713 151 HB3 TYR 21 2HB TYR 21 -0.286 -7.761 2.070 152 HD1 TYR 21 HD1 TYR 21 -0.930 -10.242 0.734 153 HD2 TYR 21 HD2 TYR 21 -1.816 -9.030 4.715 154 HE1 TYR 21 HE1 TYR 21 -2.869 -11.756 0.757 155 HE2 TYR 21 HE2 TYR 21 -3.756 -10.541 4.750 156 HH TYR 21 HH TYR 21 -5.191 -11.726 3.352 157 H PHE 22 H PHE 22 2.615 -7.445 3.303 158 HA PHE 22 HA PHE 22 3.008 -5.540 1.413 159 HB2 PHE 22 1HB PHE 22 3.837 -5.311 3.696 160 HB3 PHE 22 2HB PHE 22 5.062 -6.540 3.397 161 HD1 PHE 22 HD1 PHE 22 3.926 -3.482 1.578 162 HD2 PHE 22 HD2 PHE 22 7.163 -5.641 3.304 163 HE1 PHE 22 HE1 PHE 22 5.487 -1.735 0.827 164 HE2 PHE 22 HE2 PHE 22 8.730 -3.897 2.556 165 HZ PHE 22 HZ PHE 22 7.892 -1.940 1.316 166 H SER 23 H SER 23 4.864 -8.532 1.762 167 HA SER 23 HA SER 23 6.843 -8.098 -0.118 168 HB2 SER 23 1HB SER 23 6.312 -10.149 1.474 169 HB3 SER 23 2HB SER 23 5.583 -10.804 0.008 170 HG SER 23 HG SER 23 7.784 -10.001 -0.891 171 H LEU 24 H LEU 24 3.514 -9.155 -0.596 172 HA LEU 24 HA LEU 24 3.746 -9.759 -3.349 173 HB2 LEU 24 1HB LEU 24 1.440 -9.111 -1.548 174 HB3 LEU 24 2HB LEU 24 1.205 -9.339 -3.280 175 HG LEU 24 HG LEU 24 2.489 -11.612 -2.754 176 HD11 LEU 24 1HD1 LEU 24 0.885 -11.360 -0.251 177 HD12 LEU 24 2HD1 LEU 24 2.549 -10.777 -0.283 178 HD13 LEU 24 3HD1 LEU 24 2.201 -12.468 -0.640 179 HD21 LEU 24 3HD2 LEU 24 0.514 -12.578 -3.229 180 HD22 LEU 24 1HD2 LEU 24 -0.024 -10.916 -3.471 181 HD23 LEU 24 2HD2 LEU 24 -0.334 -11.728 -1.937 182 H PHE 25 H PHE 25 2.688 -6.844 -1.623 183 HA PHE 25 HA PHE 25 1.919 -5.291 -3.780 184 HB2 PHE 25 1HB PHE 25 1.667 -4.691 -1.359 185 HB3 PHE 25 2HB PHE 25 3.378 -4.279 -1.333 186 HD1 PHE 25 HD1 PHE 25 0.838 -3.605 -3.959 187 HD2 PHE 25 HD2 PHE 25 3.423 -1.987 -0.990 188 HE1 PHE 25 HE1 PHE 25 0.296 -1.333 -4.732 189 HE2 PHE 25 HE2 PHE 25 2.886 0.288 -1.758 190 HZ PHE 25 HZ PHE 25 1.319 0.618 -3.630 191 H LYS 26 H LYS 26 5.153 -5.716 -2.394 192 HA LYS 26 HA LYS 26 6.501 -3.870 -4.014 193 HB2 LYS 26 1HB LYS 26 7.290 -6.236 -2.388 194 HB3 LYS 26 2HB LYS 26 8.456 -5.626 -3.554 195 HG2 LYS 26 1HG LYS 26 8.370 -3.428 -2.513 196 HG3 LYS 26 2HG LYS 26 7.170 -4.014 -1.358 197 HD2 LYS 26 1HD LYS 26 9.937 -5.176 -1.657 198 HD3 LYS 26 2HD LYS 26 9.506 -3.939 -0.473 199 HE2 LYS 26 1HE LYS 26 7.878 -5.445 0.529 200 HE3 LYS 26 2HE LYS 26 8.242 -6.671 -0.684 201 HZ1 LYS 26 3HZ LYS 26 10.672 -6.161 0.327 202 HZ2 LYS 26 1HZ LYS 26 9.664 -7.411 0.860 203 HZ3 LYS 26 2HZ LYS 26 9.706 -5.943 1.699 204 H SER 27 H SER 27 5.605 -7.225 -4.552 205 HA SER 27 HA SER 27 7.161 -7.642 -6.876 206 HB2 SER 27 1HB SER 27 6.042 -9.420 -5.446 207 HB3 SER 27 2HB SER 27 4.533 -8.998 -6.255 208 HG SER 27 HG SER 27 6.741 -9.520 -7.868 209 H LEU 28 H LEU 28 3.923 -6.370 -6.349 210 HA LEU 28 HA LEU 28 3.233 -6.275 -9.123 211 HB2 LEU 28 1HB LEU 28 2.017 -4.717 -6.852 212 HB3 LEU 28 2HB LEU 28 1.289 -5.048 -8.421 213 HG LEU 28 HG LEU 28 1.974 -7.241 -6.480 214 HD11 LEU 28 1HD1 LEU 28 -0.759 -6.905 -6.375 215 HD12 LEU 28 2HD1 LEU 28 -0.141 -5.255 -6.307 216 HD13 LEU 28 3HD1 LEU 28 0.396 -6.446 -5.123 217 HD21 LEU 28 3HD2 LEU 28 1.523 -8.324 -8.419 218 HD22 LEU 28 1HD2 LEU 28 0.549 -7.002 -9.063 219 HD23 LEU 28 2HD2 LEU 28 -0.139 -8.102 -7.868 220 H LEU 29 H LEU 29 4.799 -4.123 -6.871 221 HA LEU 29 HA LEU 29 4.690 -1.889 -8.737 222 HB2 LEU 29 1HB LEU 29 5.458 -2.259 -5.897 223 HB3 LEU 29 2HB LEU 29 6.243 -0.954 -6.784 224 HG LEU 29 HG LEU 29 4.388 -0.029 -5.614 225 HD11 LEU 29 1HD1 LEU 29 2.982 -0.132 -8.155 226 HD12 LEU 29 2HD1 LEU 29 4.709 0.172 -8.341 227 HD13 LEU 29 3HD1 LEU 29 3.732 1.234 -7.328 228 HD21 LEU 29 3HD2 LEU 29 2.084 -0.849 -5.976 229 HD22 LEU 29 1HD2 LEU 29 3.119 -2.031 -5.175 230 HD23 LEU 29 2HD2 LEU 29 2.740 -2.210 -6.888 231 H ALA 30 H ALA 30 6.805 -4.432 -7.796 232 HA ALA 30 HA ALA 30 9.336 -3.668 -8.113 233 HB1 ALA 30 3HB ALA 30 8.444 -6.034 -7.998 234 HB2 ALA 30 1HB ALA 30 8.293 -5.962 -9.754 235 HB3 ALA 30 2HB ALA 30 9.876 -5.789 -8.997 236 H ARG 31 H ARG 31 7.140 -4.169 -10.872 237 HA ARG 31 HA ARG 31 8.932 -3.482 -12.898 238 HB2 ARG 31 1HB ARG 31 6.614 -2.675 -13.986 239 HB3 ARG 31 2HB ARG 31 7.063 -4.369 -13.838 240 HG2 ARG 31 1HG ARG 31 5.611 -3.131 -11.570 241 HG3 ARG 31 2HG ARG 31 4.709 -3.455 -13.051 242 HD2 ARG 31 1HD ARG 31 6.452 -5.600 -11.951 243 HD3 ARG 31 2HD ARG 31 4.924 -5.263 -11.140 244 HE ARG 31 HE ARG 31 5.272 -6.623 -13.606 245 HH11 ARG 31 1HH1 ARG 31 3.148 -4.433 -11.929 246 HH12 ARG 31 2HH1 ARG 31 1.740 -4.912 -12.817 247 HH21 ARG 31 1HH2 ARG 31 3.425 -7.261 -14.783 248 HH22 ARG 31 2HH2 ARG 31 1.898 -6.522 -14.440 249 H ASP 32 H ASP 32 6.345 -1.402 -11.582 250 HA ASP 32 HA ASP 32 7.168 0.961 -12.788 251 HB2 ASP 32 1HB ASP 32 5.714 0.535 -10.171 252 HB3 ASP 32 2HB ASP 32 5.890 2.102 -10.956 253 H LEU 33 H LEU 33 7.716 0.054 -9.378 254 HA LEU 33 HA LEU 33 9.582 2.121 -8.899 255 HB2 LEU 33 1HB LEU 33 9.010 -0.460 -7.464 256 HB3 LEU 33 2HB LEU 33 10.178 0.724 -6.881 257 HG LEU 33 HG LEU 33 7.203 1.122 -7.182 258 HD11 LEU 33 1HD1 LEU 33 8.697 1.405 -4.628 259 HD12 LEU 33 2HD1 LEU 33 8.339 -0.216 -5.219 260 HD13 LEU 33 3HD1 LEU 33 7.026 0.920 -4.916 261 HD21 LEU 33 3HD2 LEU 33 7.747 3.275 -7.467 262 HD22 LEU 33 1HD2 LEU 33 9.417 3.020 -6.961 263 HD23 LEU 33 2HD2 LEU 33 8.154 3.243 -5.750 264 H ASN 34 H ASN 34 9.865 -0.712 -10.670 265 HA ASN 34 HA ASN 34 11.609 -1.851 -11.586 266 HB2 ASN 34 1HB ASN 34 12.869 0.838 -11.068 267 HB3 ASN 34 2HB ASN 34 13.751 -0.465 -11.859 268 HD21 ASN 34 1HD2 ASN 34 13.784 -0.235 -13.963 269 HD22 ASN 34 2HD2 ASN 34 12.503 0.375 -14.947 270 H LEU 35 H LEU 35 11.138 -2.301 -8.829 271 HA LEU 35 HA LEU 35 13.498 -2.251 -7.284 272 HB2 LEU 35 1HB LEU 35 11.214 -4.200 -7.040 273 HB3 LEU 35 2HB LEU 35 12.365 -3.746 -5.785 274 HG LEU 35 HG LEU 35 10.460 -1.763 -7.003 275 HD11 LEU 35 1HD1 LEU 35 9.674 -4.000 -5.566 276 HD12 LEU 35 2HD1 LEU 35 8.741 -2.526 -5.821 277 HD13 LEU 35 3HD1 LEU 35 9.727 -2.705 -4.370 278 HD21 LEU 35 3HD2 LEU 35 12.626 -1.359 -5.446 279 HD22 LEU 35 1HD2 LEU 35 11.383 -1.577 -4.214 280 HD23 LEU 35 2HD2 LEU 35 11.199 -0.321 -5.437 281 H GLU 36 H GLU 36 14.738 -4.133 -6.560 282 HA GLU 36 HA GLU 36 15.579 -5.716 -8.818 283 HB2 GLU 36 1HB GLU 36 16.541 -5.489 -5.971 284 HB3 GLU 36 2HB GLU 36 17.214 -6.661 -7.096 285 HG2 GLU 36 1HG GLU 36 18.239 -5.060 -8.371 286 HG3 GLU 36 2HG GLU 36 17.100 -3.801 -7.904 287 H ARG 37 H ARG 37 14.154 -7.287 -9.347 288 HA ARG 37 HA ARG 37 12.410 -8.706 -7.843 289 HB2 ARG 37 1HB ARG 37 12.411 -10.392 -9.512 290 HB3 ARG 37 2HB ARG 37 12.808 -8.890 -10.336 291 HG2 ARG 37 1HG ARG 37 15.049 -10.574 -9.368 292 HG3 ARG 37 2HG ARG 37 14.140 -11.122 -10.777 293 HD2 ARG 37 1HD ARG 37 15.049 -8.291 -10.685 294 HD3 ARG 37 2HD ARG 37 16.244 -9.545 -11.014 295 HE ARG 37 HE ARG 37 14.113 -10.034 -12.704 296 HH11 ARG 37 1HH1 ARG 37 16.402 -7.472 -12.147 297 HH12 ARG 37 2HH1 ARG 37 16.390 -6.926 -13.791 298 HH21 ARG 37 1HH2 ARG 37 14.088 -9.325 -14.872 299 HH22 ARG 37 2HH2 ARG 37 15.072 -7.980 -15.340 300 H ASP 38 H ASP 38 15.849 -8.944 -7.747 301 HA ASP 38 HA ASP 38 15.757 -11.422 -6.194 302 HB2 ASP 38 1HB ASP 38 17.513 -11.627 -7.678 303 HB3 ASP 38 2HB ASP 38 17.905 -9.910 -7.615 304 H ASN 39 H ASN 39 16.629 -8.020 -5.906 305 HA ASN 39 HA ASN 39 17.095 -8.408 -3.029 306 HB2 ASN 39 1HB ASN 39 18.766 -7.211 -4.704 307 HB3 ASN 39 2HB ASN 39 17.720 -5.828 -4.395 308 HD21 ASN 39 1HD2 ASN 39 19.905 -5.107 -3.573 309 HD22 ASN 39 2HD2 ASN 39 20.227 -5.384 -1.898 310 H GLN 40 H GLN 40 14.486 -8.535 -3.682 311 HA GLN 40 HA GLN 40 13.280 -5.907 -3.449 312 HB2 GLN 40 1HB GLN 40 12.309 -8.667 -3.970 313 HB3 GLN 40 2HB GLN 40 11.179 -7.550 -3.215 314 HG2 GLN 40 1HG GLN 40 11.125 -6.151 -5.051 315 HG3 GLN 40 2HG GLN 40 12.667 -6.738 -5.671 316 HE21 GLN 40 1HE2 GLN 40 10.384 -6.490 -7.240 317 HE22 GLN 40 2HE2 GLN 40 9.873 -8.067 -7.729 318 H GLU 41 H GLU 41 14.151 -8.562 -1.413 319 HA GLU 41 HA GLU 41 12.400 -7.940 0.752 320 HB2 GLU 41 1HB GLU 41 14.929 -9.582 0.595 321 HB3 GLU 41 2HB GLU 41 13.973 -9.421 2.062 322 HG2 GLU 41 1HG GLU 41 12.238 -10.674 1.237 323 HG3 GLU 41 2HG GLU 41 12.640 -10.323 -0.442 324 H GLN 42 H GLN 42 15.838 -7.304 0.114 325 HA GLN 42 HA GLN 42 16.620 -6.088 2.420 326 HB2 GLN 42 1HB GLN 42 18.297 -4.950 1.178 327 HB3 GLN 42 2HB GLN 42 18.002 -6.469 0.343 328 HG2 GLN 42 1HG GLN 42 17.075 -5.458 -1.472 329 HG3 GLN 42 2HG GLN 42 16.472 -4.089 -0.540 330 HE21 GLN 42 1HE2 GLN 42 17.461 -3.203 -2.672 331 HE22 GLN 42 2HE2 GLN 42 19.087 -2.636 -2.536 332 H TYR 43 H TYR 43 14.332 -4.909 0.116 333 HA TYR 43 HA TYR 43 14.414 -2.172 0.988 334 HB2 TYR 43 1HB TYR 43 12.499 -3.720 -0.756 335 HB3 TYR 43 2HB TYR 43 12.270 -2.019 -0.367 336 HD1 TYR 43 HD1 TYR 43 14.962 -0.926 -0.538 337 HD2 TYR 43 HD2 TYR 43 13.058 -3.822 -3.005 338 HE1 TYR 43 HE1 TYR 43 16.436 -0.297 -2.405 339 HE2 TYR 43 HE2 TYR 43 14.526 -3.202 -4.878 340 HH TYR 43 HH TYR 43 17.292 -1.261 -4.481 341 H THR 44 H THR 44 12.749 -1.066 2.115 342 HA THR 44 HA THR 44 11.013 -2.785 3.759 343 HB THR 44 HB THR 44 11.402 -1.384 5.702 344 HG1 THR 44 HG1 THR 44 13.128 0.225 5.526 345 HG21 THR 44 3HG2 THR 44 12.981 -3.302 5.079 346 HG22 THR 44 1HG2 THR 44 13.550 -2.144 6.280 347 HG23 THR 44 2HG2 THR 44 14.127 -2.043 4.616 348 H THR 45 H THR 45 9.113 -1.722 4.618 349 HA THR 45 HA THR 45 7.521 -0.461 2.836 350 HB THR 45 HB THR 45 6.264 0.524 4.796 351 HG1 THR 45 HG1 THR 45 7.999 -0.940 6.463 352 HG21 THR 45 3HG2 THR 45 5.597 -1.659 5.695 353 HG22 THR 45 1HG2 THR 45 7.029 -2.394 4.976 354 HG23 THR 45 2HG2 THR 45 5.772 -1.715 3.941 355 H ILE 46 H ILE 46 10.029 1.011 4.751 356 HA ILE 46 HA ILE 46 9.226 3.715 4.358 357 HB ILE 46 HB ILE 46 11.857 2.484 5.159 358 HG12 ILE 46 1HG1 ILE 46 10.097 2.344 6.833 359 HG13 ILE 46 2HG1 ILE 46 11.303 3.521 7.342 360 HG21 ILE 46 1HG2 ILE 46 12.883 4.380 4.628 361 HG22 ILE 46 2HG2 ILE 46 11.359 5.126 4.146 362 HG23 ILE 46 3HG2 ILE 46 11.884 5.200 5.827 363 HD11 ILE 46 3HD1 ILE 46 8.488 3.854 6.928 364 HD12 ILE 46 1HD1 ILE 46 9.656 4.960 7.652 365 HD13 ILE 46 2HD1 ILE 46 9.396 4.970 5.907 366 H GLN 47 H GLN 47 12.150 2.107 3.100 367 HA GLN 47 HA GLN 47 12.837 3.911 1.172 368 HB2 GLN 47 1HB GLN 47 13.028 0.906 0.906 369 HB3 GLN 47 2HB GLN 47 13.969 2.082 -0.000 370 HG2 GLN 47 1HG GLN 47 14.663 2.879 2.409 371 HG3 GLN 47 2HG GLN 47 14.213 1.228 2.833 372 HE21 GLN 47 1HE2 GLN 47 15.609 -0.368 2.439 373 HE22 GLN 47 2HE2 GLN 47 17.096 -0.196 1.576 374 H ILE 48 H ILE 48 10.542 1.229 0.828 375 HA ILE 48 HA ILE 48 9.966 1.617 -1.896 376 HB ILE 48 HB ILE 48 8.183 0.469 0.254 377 HG12 ILE 48 1HG1 ILE 48 10.417 -0.640 -0.055 378 HG13 ILE 48 2HG1 ILE 48 9.037 -1.683 -0.384 379 HG21 ILE 48 1HG2 ILE 48 7.188 1.237 -2.015 380 HG22 ILE 48 2HG2 ILE 48 8.000 -0.192 -2.656 381 HG23 ILE 48 3HG2 ILE 48 6.783 -0.362 -1.391 382 HD11 ILE 48 3HD1 ILE 48 9.447 -1.734 -2.643 383 HD12 ILE 48 1HD1 ILE 48 10.337 -0.212 -2.625 384 HD13 ILE 48 2HD1 ILE 48 11.080 -1.676 -1.981 385 H ALA 49 H ALA 49 8.567 3.004 1.028 386 HA ALA 49 HA ALA 49 6.352 4.269 -0.143 387 HB1 ALA 49 3HB ALA 49 6.309 5.667 1.852 388 HB2 ALA 49 1HB ALA 49 6.606 3.980 2.272 389 HB3 ALA 49 2HB ALA 49 7.937 5.137 2.272 390 H ASN 50 H ASN 50 9.461 5.746 0.814 391 HA ASN 50 HA ASN 50 9.116 8.246 -0.245 392 HB2 ASN 50 1HB ASN 50 11.580 6.536 0.012 393 HB3 ASN 50 2HB ASN 50 11.665 8.173 -0.632 394 HD21 ASN 50 1HD2 ASN 50 10.963 6.227 2.171 395 HD22 ASN 50 2HD2 ASN 50 11.070 7.504 3.328 396 H MET 51 H MET 51 10.141 5.316 -1.936 397 HA MET 51 HA MET 51 10.759 6.501 -4.406 398 HB2 MET 51 1HB MET 51 9.874 3.723 -3.646 399 HB3 MET 51 2HB MET 51 10.238 4.163 -5.309 400 HG2 MET 51 1HG MET 51 12.482 5.018 -4.264 401 HG3 MET 51 2HG MET 51 12.060 3.892 -2.976 402 HE1 MET 51 3HE MET 51 11.708 0.979 -3.679 403 HE2 MET 51 1HE MET 51 13.414 0.744 -4.065 404 HE3 MET 51 2HE MET 51 12.942 1.902 -2.819 405 H MET 52 H MET 52 7.720 5.356 -3.044 406 HA MET 52 HA MET 52 6.237 5.707 -5.474 407 HB2 MET 52 1HB MET 52 5.349 5.310 -2.613 408 HB3 MET 52 2HB MET 52 4.251 5.374 -3.985 409 HG2 MET 52 1HG MET 52 5.596 3.451 -4.953 410 HG3 MET 52 2HG MET 52 6.325 3.304 -3.356 411 HE1 MET 52 3HE MET 52 2.656 1.446 -4.869 412 HE2 MET 52 1HE MET 52 2.455 3.191 -5.036 413 HE3 MET 52 2HE MET 52 3.881 2.400 -5.707 414 H GLU 53 H GLU 53 6.993 7.658 -2.677 415 HA GLU 53 HA GLU 53 5.024 9.625 -2.908 416 HB2 GLU 53 1HB GLU 53 7.784 9.556 -1.760 417 HB3 GLU 53 2HB GLU 53 6.963 11.104 -1.907 418 HG2 GLU 53 1HG GLU 53 5.094 10.218 -0.583 419 HG3 GLU 53 2HG GLU 53 5.966 8.697 -0.400 420 H GLU 54 H GLU 54 8.072 9.205 -4.605 421 HA GLU 54 HA GLU 54 7.749 11.739 -6.005 422 HB2 GLU 54 1HB GLU 54 9.907 10.852 -7.168 423 HB3 GLU 54 2HB GLU 54 9.990 11.434 -5.510 424 HG2 GLU 54 1HG GLU 54 10.032 9.220 -4.649 425 HG3 GLU 54 2HG GLU 54 9.656 8.535 -6.229 426 H LYS 55 H LYS 55 7.671 8.271 -6.650 427 HA LYS 55 HA LYS 55 7.412 8.405 -9.445 428 HB2 LYS 55 1HB LYS 55 7.960 6.336 -8.229 429 HB3 LYS 55 2HB LYS 55 6.342 6.312 -7.541 430 HG2 LYS 55 1HG LYS 55 6.183 4.806 -9.283 431 HG3 LYS 55 2HG LYS 55 5.545 6.290 -9.996 432 HD2 LYS 55 1HD LYS 55 6.988 5.601 -11.647 433 HD3 LYS 55 2HD LYS 55 8.046 6.654 -10.704 434 HE2 LYS 55 1HE LYS 55 7.891 3.758 -10.012 435 HE3 LYS 55 2HE LYS 55 8.820 4.248 -11.427 436 HZ1 LYS 55 3HZ LYS 55 10.409 4.371 -9.817 437 HZ2 LYS 55 1HZ LYS 55 9.321 4.797 -8.594 438 HZ3 LYS 55 2HZ LYS 55 9.813 5.951 -9.727 439 H PHE 56 H PHE 56 4.906 8.037 -6.937 440 HA PHE 56 HA PHE 56 2.952 9.079 -8.882 441 HB2 PHE 56 1HB PHE 56 2.059 7.438 -6.554 442 HB3 PHE 56 2HB PHE 56 1.344 7.595 -8.155 443 HD1 PHE 56 HD2 PHE 56 2.152 6.266 -10.016 444 HD2 PHE 56 HD1 PHE 56 3.825 5.859 -6.124 445 HE1 PHE 56 HE2 PHE 56 3.209 4.151 -10.696 446 HE2 PHE 56 HE1 PHE 56 4.886 3.743 -6.797 447 HZ PHE 56 HZ PHE 56 4.576 2.887 -9.085 448 HA PRO 57 HA PRO 57 3.205 12.187 -5.505 449 HB2 PRO 57 1HB PRO 57 2.777 14.309 -7.144 450 HB3 PRO 57 2HB PRO 57 4.376 13.598 -6.890 451 HG2 PRO 57 1HG PRO 57 2.456 13.186 -9.149 452 HG3 PRO 57 2HG PRO 57 4.213 13.415 -9.202 453 HD2 PRO 57 1HD PRO 57 3.056 10.976 -9.418 454 HD3 PRO 57 2HD PRO 57 4.644 11.216 -8.661 455 H ALA 58 H ALA 58 0.831 11.086 -7.652 456 HA ALA 58 HA ALA 58 -1.260 12.920 -7.079 457 HB1 ALA 58 3HB ALA 58 -1.094 11.254 -9.015 458 HB2 ALA 58 1HB ALA 58 -1.697 10.058 -7.868 459 HB3 ALA 58 2HB ALA 58 -2.672 11.476 -8.258 460 H ASP 59 H ASP 59 -0.638 9.614 -5.892 461 HA ASP 59 HA ASP 59 -2.233 10.283 -3.504 462 HB2 ASP 59 1HB ASP 59 -2.694 7.811 -3.355 463 HB3 ASP 59 2HB ASP 59 -3.429 8.617 -4.739 464 H SER 60 H SER 60 0.794 9.368 -4.714 465 HA SER 60 HA SER 60 2.795 8.965 -3.707 466 HB2 SER 60 1HB SER 60 1.478 9.360 -1.025 467 HB3 SER 60 2HB SER 60 3.154 9.670 -1.479 468 HG SER 60 HG SER 60 1.046 11.068 -2.720 469 H GLY 61 H GLY 61 0.872 6.850 -4.228 470 HA2 GLY 61 1HA GLY 61 1.344 4.523 -4.014 471 HA3 GLY 61 2HA GLY 61 2.018 4.838 -2.422 472 H LEU 62 H LEU 62 -0.193 6.466 -1.516 473 HA LEU 62 HA LEU 62 -1.726 4.740 -0.129 474 HB2 LEU 62 1HB LEU 62 -1.979 7.016 0.349 475 HB3 LEU 62 2HB LEU 62 -2.423 7.406 -1.311 476 HG LEU 62 HG LEU 62 -4.596 6.342 -0.990 477 HD11 LEU 62 1HD1 LEU 62 -4.311 6.107 1.923 478 HD12 LEU 62 2HD1 LEU 62 -3.426 4.906 0.983 479 HD13 LEU 62 3HD1 LEU 62 -5.168 5.079 0.775 480 HD21 LEU 62 3HD2 LEU 62 -4.008 8.278 1.245 481 HD22 LEU 62 1HD2 LEU 62 -5.563 7.988 0.464 482 HD23 LEU 62 2HD2 LEU 62 -4.249 8.741 -0.440 483 H GLY 63 H GLY 63 -2.480 5.912 -3.401 484 HA2 GLY 63 1HA GLY 63 -4.898 4.465 -3.675 485 HA3 GLY 63 2HA GLY 63 -3.941 5.130 -4.992 486 H LYS 64 H LYS 64 -1.882 3.845 -5.464 487 HA LYS 64 HA LYS 64 -2.404 1.425 -6.521 488 HB2 LYS 64 1HB LYS 64 -0.194 2.869 -6.429 489 HB3 LYS 64 2HB LYS 64 0.247 1.719 -5.173 490 HG2 LYS 64 1HG LYS 64 1.152 0.887 -7.180 491 HG3 LYS 64 2HG LYS 64 -0.264 -0.108 -6.833 492 HD2 LYS 64 1HD LYS 64 -1.579 1.167 -8.429 493 HD3 LYS 64 2HD LYS 64 -0.210 2.238 -8.733 494 HE2 LYS 64 1HE LYS 64 -0.006 0.798 -10.501 495 HE3 LYS 64 2HE LYS 64 1.007 -0.019 -9.312 496 HZ1 LYS 64 3HZ LYS 64 -1.719 -0.817 -9.095 497 HZ2 LYS 64 1HZ LYS 64 -0.336 -1.767 -9.317 498 HZ3 LYS 64 2HZ LYS 64 -1.124 -1.095 -10.654 499 H LEU 65 H LEU 65 -1.681 2.069 -3.151 500 HA LEU 65 HA LEU 65 -1.418 -0.675 -2.396 501 HB2 LEU 65 1HB LEU 65 -0.455 1.295 -1.168 502 HB3 LEU 65 2HB LEU 65 -2.090 1.661 -0.619 503 HG LEU 65 HG LEU 65 -0.498 0.396 0.962 504 HD11 LEU 65 1HD1 LEU 65 -2.521 0.406 1.920 505 HD12 LEU 65 2HD1 LEU 65 -2.623 -1.261 1.353 506 HD13 LEU 65 3HD1 LEU 65 -3.349 0.039 0.407 507 HD21 LEU 65 3HD2 LEU 65 -1.457 -1.976 -0.615 508 HD22 LEU 65 1HD2 LEU 65 -0.282 -1.932 0.700 509 HD23 LEU 65 2HD2 LEU 65 0.128 -1.246 -0.872 510 H ILE 66 H ILE 66 -3.938 1.741 -1.646 511 HA ILE 66 HA ILE 66 -5.825 0.325 -0.405 512 HB ILE 66 HB ILE 66 -6.197 2.272 -2.666 513 HG12 ILE 66 1HG1 ILE 66 -6.870 2.533 0.266 514 HG13 ILE 66 2HG1 ILE 66 -5.301 2.972 -0.397 515 HG21 ILE 66 1HG2 ILE 66 -8.350 0.986 -0.994 516 HG22 ILE 66 2HG2 ILE 66 -8.584 2.378 -2.049 517 HG23 ILE 66 3HG2 ILE 66 -8.125 0.820 -2.735 518 HD11 ILE 66 3HD1 ILE 66 -7.489 4.616 -0.148 519 HD12 ILE 66 1HD1 ILE 66 -6.060 4.921 -1.136 520 HD13 ILE 66 2HD1 ILE 66 -7.490 4.183 -1.858 521 H GLU 67 H GLU 67 -5.572 0.353 -3.964 522 HA GLU 67 HA GLU 67 -7.547 -1.483 -4.543 523 HB2 GLU 67 1HB GLU 67 -4.929 -0.913 -5.925 524 HB3 GLU 67 2HB GLU 67 -6.114 -2.032 -6.582 525 HG2 GLU 67 1HG GLU 67 -7.778 -0.139 -6.480 526 HG3 GLU 67 2HG GLU 67 -6.413 0.921 -6.135 527 H PHE 68 H PHE 68 -4.087 -2.164 -4.030 528 HA PHE 68 HA PHE 68 -4.064 -4.880 -4.345 529 HB2 PHE 68 1HB PHE 68 -2.001 -3.760 -3.947 530 HB3 PHE 68 2HB PHE 68 -2.552 -3.151 -2.390 531 HD1 PHE 68 HD1 PHE 68 -1.499 -6.179 -4.214 532 HD2 PHE 68 HD2 PHE 68 -2.316 -4.430 -0.420 533 HE1 PHE 68 HE1 PHE 68 -0.487 -8.126 -3.101 534 HE2 PHE 68 HE2 PHE 68 -1.304 -6.374 0.698 535 HZ PHE 68 HZ PHE 68 -0.387 -8.225 -0.643 536 H CYS 69 H CYS 69 -5.325 -3.043 -1.651 537 HA CYS 69 HA CYS 69 -5.637 -5.286 0.097 538 HB2 CYS 69 1HB CYS 69 -7.010 -2.592 0.199 539 HB3 CYS 69 2HB CYS 69 -6.903 -3.758 1.513 540 HG CYS 69 HG CYS 69 -4.407 -1.825 0.222 541 H GLU 70 H GLU 70 -7.603 -3.711 -2.328 542 HA GLU 70 HA GLU 70 -10.114 -4.724 -1.652 543 HB2 GLU 70 1HB GLU 70 -8.936 -4.048 -4.350 544 HB3 GLU 70 2HB GLU 70 -10.630 -4.445 -4.100 545 HG2 GLU 70 1HG GLU 70 -10.830 -2.533 -2.566 546 HG3 GLU 70 2HG GLU 70 -9.148 -2.121 -2.894 547 H GLU 71 H GLU 71 -7.756 -6.038 -3.982 548 HA GLU 71 HA GLU 71 -9.095 -8.321 -4.732 549 HB2 GLU 71 1HB GLU 71 -7.116 -9.041 -5.644 550 HB3 GLU 71 2HB GLU 71 -6.740 -7.340 -5.412 551 HG2 GLU 71 1HG GLU 71 -5.548 -7.840 -3.374 552 HG3 GLU 71 2HG GLU 71 -5.997 -9.541 -3.498 553 H VAL 72 H VAL 72 -7.154 -7.772 -1.838 554 HA VAL 72 HA VAL 72 -7.526 -10.504 -0.929 555 HB VAL 72 HB VAL 72 -6.357 -8.282 0.723 556 HG11 VAL 72 1HG1 VAL 72 -6.886 -10.789 1.426 557 HG12 VAL 72 2HG1 VAL 72 -5.310 -11.057 0.679 558 HG13 VAL 72 3HG1 VAL 72 -5.469 -9.925 2.023 559 HG21 VAL 72 3HG2 VAL 72 -4.130 -9.142 -0.253 560 HG22 VAL 72 1HG2 VAL 72 -5.121 -9.738 -1.585 561 HG23 VAL 72 2HG2 VAL 72 -5.089 -8.015 -1.213 562 HA PRO 73 HA PRO 73 -11.347 -9.456 1.104 563 HB2 PRO 73 1HB PRO 73 -11.729 -11.886 2.254 564 HB3 PRO 73 2HB PRO 73 -12.043 -11.572 0.542 565 HG2 PRO 73 1HG PRO 73 -9.656 -12.840 1.827 566 HG3 PRO 73 2HG PRO 73 -10.526 -13.325 0.361 567 HD2 PRO 73 1HD PRO 73 -8.197 -11.946 0.283 568 HD3 PRO 73 2HD PRO 73 -9.467 -11.747 -0.942 569 H ALA 74 H ALA 74 -8.342 -10.081 2.481 570 HA ALA 74 HA ALA 74 -9.344 -9.798 5.226 571 HB1 ALA 74 3HB ALA 74 -6.717 -10.189 5.580 572 HB2 ALA 74 1HB ALA 74 -7.877 -11.508 5.421 573 HB3 ALA 74 2HB ALA 74 -6.926 -10.997 4.027 574 H LEU 75 H LEU 75 -7.926 -8.034 2.698 575 HA LEU 75 HA LEU 75 -6.905 -5.987 4.541 576 HB2 LEU 75 1HB LEU 75 -6.453 -6.354 1.584 577 HB3 LEU 75 2HB LEU 75 -5.784 -5.045 2.555 578 HG LEU 75 HG LEU 75 -5.118 -7.979 2.753 579 HD11 LEU 75 1HD1 LEU 75 -3.706 -5.561 1.699 580 HD12 LEU 75 2HD1 LEU 75 -3.930 -7.139 0.947 581 HD13 LEU 75 3HD1 LEU 75 -2.799 -6.953 2.289 582 HD21 LEU 75 3HD2 LEU 75 -4.343 -5.653 4.495 583 HD22 LEU 75 1HD2 LEU 75 -3.411 -7.148 4.421 584 HD23 LEU 75 2HD2 LEU 75 -5.085 -7.179 4.976 585 H ARG 76 H ARG 76 -9.435 -6.702 2.348 586 HA ARG 76 HA ARG 76 -10.222 -4.303 1.306 587 HB2 ARG 76 1HB ARG 76 -11.743 -6.668 2.319 588 HB3 ARG 76 2HB ARG 76 -12.633 -5.228 1.841 589 HG2 ARG 76 1HG ARG 76 -11.524 -5.343 -0.375 590 HG3 ARG 76 2HG ARG 76 -10.790 -6.870 0.120 591 HD2 ARG 76 1HD ARG 76 -12.720 -7.425 -1.136 592 HD3 ARG 76 2HD ARG 76 -13.120 -7.718 0.556 593 HE ARG 76 HE ARG 76 -14.697 -6.060 0.438 594 HH11 ARG 76 1HH1 ARG 76 -12.586 -5.838 -2.321 595 HH12 ARG 76 2HH1 ARG 76 -13.550 -4.644 -3.126 596 HH21 ARG 76 1HH2 ARG 76 -15.974 -4.487 -0.611 597 HH22 ARG 76 2HH2 ARG 76 -15.476 -3.875 -2.152 598 H LYS 77 H LYS 77 -10.688 -5.452 4.610 599 HA LYS 77 HA LYS 77 -12.410 -3.532 5.591 600 HB2 LYS 77 1HB LYS 77 -11.850 -5.337 7.012 601 HB3 LYS 77 2HB LYS 77 -10.127 -5.007 6.885 602 HG2 LYS 77 1HG LYS 77 -10.865 -4.337 9.051 603 HG3 LYS 77 2HG LYS 77 -10.504 -2.883 8.119 604 HD2 LYS 77 1HD LYS 77 -12.523 -2.324 9.085 605 HD3 LYS 77 2HD LYS 77 -13.045 -2.974 7.530 606 HE2 LYS 77 1HE LYS 77 -14.455 -3.923 9.188 607 HE3 LYS 77 2HE LYS 77 -13.344 -5.191 8.672 608 HZ1 LYS 77 3HZ LYS 77 -13.421 -5.301 11.002 609 HZ2 LYS 77 1HZ LYS 77 -13.276 -3.625 11.183 610 HZ3 LYS 77 2HZ LYS 77 -11.954 -4.536 10.649 611 H ARG 78 H ARG 78 -8.859 -3.384 5.429 612 HA ARG 78 HA ARG 78 -8.728 -0.726 6.465 613 HB2 ARG 78 1HB ARG 78 -6.706 -2.447 5.026 614 HB3 ARG 78 2HB ARG 78 -6.343 -0.844 5.651 615 HG2 ARG 78 1HG ARG 78 -7.514 -2.853 7.503 616 HG3 ARG 78 2HG ARG 78 -5.819 -3.012 7.039 617 HD2 ARG 78 1HD ARG 78 -5.444 -0.676 7.761 618 HD3 ARG 78 2HD ARG 78 -7.119 -0.604 8.306 619 HE ARG 78 HE ARG 78 -5.653 -2.779 9.461 620 HH11 ARG 78 1HH1 ARG 78 -6.376 0.617 9.717 621 HH12 ARG 78 2HH1 ARG 78 -6.047 0.692 11.417 622 HH21 ARG 78 1HH2 ARG 78 -5.216 -2.692 11.698 623 HH22 ARG 78 2HH2 ARG 78 -5.386 -1.191 12.542 624 H ALA 79 H ALA 79 -8.709 -2.148 3.239 625 HA ALA 79 HA ALA 79 -7.955 -0.032 1.672 626 HB1 ALA 79 3HB ALA 79 -9.112 -2.500 1.228 627 HB2 ALA 79 1HB ALA 79 -10.277 -1.363 0.552 628 HB3 ALA 79 2HB ALA 79 -8.604 -1.347 -0.006 629 H GLU 80 H GLU 80 -11.374 -0.791 2.374 630 HA GLU 80 HA GLU 80 -12.507 1.511 1.388 631 HB2 GLU 80 1HB GLU 80 -14.395 1.084 2.892 632 HB3 GLU 80 2HB GLU 80 -13.824 -0.401 2.146 633 HG2 GLU 80 1HG GLU 80 -12.503 -0.812 4.253 634 HG3 GLU 80 2HG GLU 80 -13.395 0.529 4.969 635 H ILE 81 H ILE 81 -11.227 0.958 4.650 636 HA ILE 81 HA ILE 81 -11.931 3.421 5.768 637 HB ILE 81 HB ILE 81 -9.521 1.713 6.401 638 HG12 ILE 81 1HG1 ILE 81 -12.179 1.812 7.832 639 HG13 ILE 81 2HG1 ILE 81 -11.816 0.641 6.569 640 HG21 ILE 81 1HG2 ILE 81 -10.344 4.276 7.383 641 HG22 ILE 81 2HG2 ILE 81 -10.425 3.083 8.678 642 HG23 ILE 81 3HG2 ILE 81 -8.916 3.329 7.798 643 HD11 ILE 81 3HD1 ILE 81 -9.782 0.039 8.024 644 HD12 ILE 81 1HD1 ILE 81 -10.648 0.883 9.307 645 HD13 ILE 81 2HD1 ILE 81 -11.380 -0.517 8.520 646 H LEU 82 H LEU 82 -9.063 2.458 3.937 647 HA LEU 82 HA LEU 82 -7.611 4.846 4.272 648 HB2 LEU 82 1HB LEU 82 -7.564 2.733 2.134 649 HB3 LEU 82 2HB LEU 82 -6.457 4.103 2.143 650 HG LEU 82 HG LEU 82 -6.618 2.289 4.517 651 HD11 LEU 82 1HD1 LEU 82 -5.959 0.548 3.302 652 HD12 LEU 82 2HD1 LEU 82 -4.451 1.418 3.029 653 HD13 LEU 82 3HD1 LEU 82 -5.762 1.538 1.856 654 HD21 LEU 82 3HD2 LEU 82 -4.111 3.467 3.471 655 HD22 LEU 82 1HD2 LEU 82 -4.657 3.247 5.134 656 HD23 LEU 82 2HD2 LEU 82 -5.294 4.576 4.166 657 H LYS 83 H LYS 83 -9.924 3.812 1.802 658 HA LYS 83 HA LYS 83 -9.655 5.994 0.069 659 HB2 LYS 83 1HB LYS 83 -12.045 4.239 0.651 660 HB3 LYS 83 2HB LYS 83 -11.978 5.398 -0.670 661 HG2 LYS 83 1HG LYS 83 -10.490 4.145 -1.879 662 HG3 LYS 83 2HG LYS 83 -9.831 3.348 -0.449 663 HD2 LYS 83 1HD LYS 83 -11.556 1.818 -0.344 664 HD3 LYS 83 2HD LYS 83 -12.677 2.865 -1.217 665 HE2 LYS 83 1HE LYS 83 -10.904 2.506 -3.157 666 HE3 LYS 83 2HE LYS 83 -10.582 1.028 -2.251 667 HZ1 LYS 83 3HZ LYS 83 -12.333 0.148 -3.252 668 HZ2 LYS 83 1HZ LYS 83 -12.746 1.622 -3.975 669 HZ3 LYS 83 2HZ LYS 83 -13.331 1.242 -2.434 670 H LYS 84 H LYS 84 -11.917 5.485 2.766 671 HA LYS 84 HA LYS 84 -13.501 7.663 2.677 672 HB2 LYS 84 1HB LYS 84 -13.262 5.852 4.513 673 HB3 LYS 84 2HB LYS 84 -12.143 6.979 5.270 674 HG2 LYS 84 1HG LYS 84 -13.830 8.606 5.566 675 HG3 LYS 84 2HG LYS 84 -14.946 7.741 4.507 676 HD2 LYS 84 1HD LYS 84 -15.291 6.033 6.091 677 HD3 LYS 84 2HD LYS 84 -13.889 6.525 7.044 678 HE2 LYS 84 1HE LYS 84 -14.996 8.500 7.788 679 HE3 LYS 84 2HE LYS 84 -16.320 8.259 6.650 680 HZ1 LYS 84 3HZ LYS 84 -17.359 7.223 8.297 681 HZ2 LYS 84 1HZ LYS 84 -15.974 7.189 9.268 682 HZ3 LYS 84 2HZ LYS 84 -16.244 5.961 8.138 683 H GLU 85 H GLU 85 -10.221 7.657 4.063 684 HA GLU 85 HA GLU 85 -10.182 10.432 4.630 685 HB2 GLU 85 1HB GLU 85 -7.989 8.386 4.317 686 HB3 GLU 85 2HB GLU 85 -7.666 10.064 4.732 687 HG2 GLU 85 1HG GLU 85 -9.323 9.682 6.661 688 HG3 GLU 85 2HG GLU 85 -9.073 7.969 6.334 689 H ARG 86 H ARG 86 -8.613 8.559 2.032 690 HA ARG 86 HA ARG 86 -7.361 10.443 0.587 691 HB2 ARG 86 1HB ARG 86 -7.482 8.105 -0.109 692 HB3 ARG 86 2HB ARG 86 -9.172 8.306 -0.549 693 HG2 ARG 86 1HG ARG 86 -8.557 9.865 -2.304 694 HG3 ARG 86 2HG ARG 86 -6.859 9.737 -1.840 695 HD2 ARG 86 1HD ARG 86 -6.632 7.640 -2.724 696 HD3 ARG 86 2HD ARG 86 -8.329 7.236 -2.477 697 HE ARG 86 HE ARG 86 -8.137 9.263 -4.412 698 HH11 ARG 86 1HH1 ARG 86 -7.424 5.883 -3.983 699 HH12 ARG 86 2HH1 ARG 86 -7.612 5.496 -5.661 700 HH21 ARG 86 1HH2 ARG 86 -8.387 8.767 -6.624 701 HH22 ARG 86 2HH2 ARG 86 -8.159 7.138 -7.163 702 H SER 87 H SER 87 -10.851 9.786 0.350 703 HA SER 87 HA SER 87 -11.171 12.438 -0.897 704 HB2 SER 87 1HB SER 87 -11.758 10.509 -2.375 705 HB3 SER 87 2HB SER 87 -13.003 10.048 -1.214 706 HG SER 87 HG SER 87 -14.191 11.742 -1.783 707 H GLU 88 H GLU 88 -12.115 13.884 0.365 708 HA GLU 88 HA GLU 88 -14.193 12.991 2.243 709 HB2 GLU 88 1HB GLU 88 -11.834 14.771 2.819 710 HB3 GLU 88 2HB GLU 88 -13.286 14.808 3.809 711 HG2 GLU 88 1HG GLU 88 -12.884 12.220 3.931 712 HG3 GLU 88 2HG GLU 88 -11.230 12.680 3.536 713 H SER 89 H SER 89 -15.639 13.738 0.568 714 HA SER 89 HA SER 89 -16.842 15.297 -0.619 715 HB2 SER 89 1HB SER 89 -17.583 15.370 1.867 716 HB3 SER 89 2HB SER 89 -16.756 16.927 1.908 717 HG SER 89 HG SER 89 -18.156 17.173 -0.175 718 H GLY 90 H GLY 90 -14.343 15.652 -1.436 719 HA2 GLY 90 1HA GLY 90 -13.284 18.257 -0.943 720 HA3 GLY 90 2HA GLY 90 -12.791 17.160 -2.225 721 HA PRO 91 HA PRO 91 -15.706 20.725 -3.656 722 HB2 PRO 91 1HB PRO 91 -13.928 22.719 -4.138 723 HB3 PRO 91 2HB PRO 91 -14.775 22.540 -2.598 724 HG2 PRO 91 1HG PRO 91 -11.996 21.711 -3.337 725 HG3 PRO 91 2HG PRO 91 -12.572 22.496 -1.855 726 HD2 PRO 91 1HD PRO 91 -12.064 19.840 -1.995 727 HD3 PRO 91 2HD PRO 91 -13.333 20.516 -0.954 728 H SER 92 H SER 92 -12.303 20.397 -4.688 729 HA SER 92 HA SER 92 -12.910 20.760 -7.448 730 HB2 SER 92 1HB SER 92 -10.676 21.210 -6.319 731 HB3 SER 92 2HB SER 92 -10.420 19.464 -6.331 732 HG SER 92 HG SER 92 -9.504 20.256 -8.180 733 H SER 93 H SER 93 -12.687 19.194 -9.139 734 HA SER 93 HA SER 93 -13.934 16.692 -8.480 735 HB2 SER 93 1HB SER 93 -13.904 16.292 -10.911 736 HB3 SER 93 2HB SER 93 -14.540 17.893 -10.533 737 HG SER 93 HG SER 93 -12.332 18.650 -10.937 738 H GLY 94 H GLY 94 -13.097 14.597 -9.184 739 HA2 GLY 94 1HA GLY 94 -10.385 14.241 -8.315 740 HA3 GLY 94 2HA GLY 94 -11.481 12.979 -8.855 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.271 7.019 27.091 2 HA2 GLY 1 1HA GLY 1 -9.392 8.934 28.189 3 HA3 GLY 1 2HA GLY 1 -8.530 8.477 29.650 4 H SER 2 H SER 2 -7.078 10.000 30.077 5 HA SER 2 HA SER 2 -6.031 11.901 28.431 6 HB2 SER 2 1HB SER 2 -5.732 11.586 30.977 7 HB3 SER 2 2HB SER 2 -4.310 10.632 30.554 8 HG SER 2 HG SER 2 -3.297 12.393 29.926 9 H SER 3 H SER 3 -4.462 8.793 29.200 10 HA SER 3 HA SER 3 -2.334 9.154 27.361 11 HB2 SER 3 1HB SER 3 -3.411 6.784 28.868 12 HB3 SER 3 2HB SER 3 -2.121 6.592 27.682 13 HG SER 3 HG SER 3 -1.149 6.940 29.637 14 H GLY 4 H GLY 4 -2.304 8.926 25.225 15 HA2 GLY 4 1HA GLY 4 -4.088 7.016 23.932 16 HA3 GLY 4 2HA GLY 4 -4.309 8.705 23.498 17 H SER 5 H SER 5 -3.244 6.145 22.128 18 HA SER 5 HA SER 5 -0.702 7.278 21.169 19 HB2 SER 5 1HB SER 5 -1.741 4.437 21.050 20 HB3 SER 5 2HB SER 5 -0.227 4.980 20.326 21 HG SER 5 HG SER 5 0.344 5.686 22.510 22 H SER 6 H SER 6 -1.631 8.732 19.699 23 HA SER 6 HA SER 6 -3.133 7.536 17.473 24 HB2 SER 6 1HB SER 6 -3.901 9.777 16.948 25 HB3 SER 6 2HB SER 6 -4.187 9.458 18.659 26 HG SER 6 HG SER 6 -2.452 10.732 19.180 27 H GLY 7 H GLY 7 -0.772 6.721 17.056 28 HA2 GLY 7 1HA GLY 7 0.721 8.736 15.515 29 HA3 GLY 7 2HA GLY 7 1.383 7.229 16.127 30 H ILE 8 H ILE 8 -1.379 8.166 14.072 31 HA ILE 8 HA ILE 8 -0.559 6.047 12.198 32 HB ILE 8 HB ILE 8 -3.305 7.272 12.453 33 HG12 ILE 8 1HG1 ILE 8 -3.708 4.800 13.338 34 HG13 ILE 8 2HG1 ILE 8 -2.019 4.946 13.813 35 HG21 ILE 8 1HG2 ILE 8 -3.739 4.941 11.262 36 HG22 ILE 8 2HG2 ILE 8 -3.329 6.396 10.353 37 HG23 ILE 8 3HG2 ILE 8 -2.082 5.203 10.716 38 HD11 ILE 8 3HD1 ILE 8 -3.057 5.669 15.706 39 HD12 ILE 8 1HD1 ILE 8 -2.846 7.202 14.860 40 HD13 ILE 8 2HD1 ILE 8 -4.408 6.385 14.828 41 H VAL 9 H VAL 9 -0.758 6.453 9.936 42 HA VAL 9 HA VAL 9 -1.295 9.118 8.988 43 HB VAL 9 HB VAL 9 1.043 9.311 9.831 44 HG11 VAL 9 1HG1 VAL 9 1.722 6.990 9.355 45 HG12 VAL 9 2HG1 VAL 9 1.688 7.354 7.629 46 HG13 VAL 9 3HG1 VAL 9 2.842 8.173 8.681 47 HG21 VAL 9 3HG2 VAL 9 0.134 10.670 7.941 48 HG22 VAL 9 1HG2 VAL 9 1.886 10.464 7.910 49 HG23 VAL 9 2HG2 VAL 9 0.867 9.514 6.828 50 H LEU 10 H LEU 10 -1.596 9.212 6.766 51 HA LEU 10 HA LEU 10 -2.608 7.081 5.431 52 HB2 LEU 10 1HB LEU 10 -2.552 9.534 4.745 53 HB3 LEU 10 2HB LEU 10 -0.993 9.176 4.005 54 HG LEU 10 HG LEU 10 -3.349 7.522 3.234 55 HD11 LEU 10 1HD1 LEU 10 -4.494 9.408 2.764 56 HD12 LEU 10 2HD1 LEU 10 -3.452 9.423 1.342 57 HD13 LEU 10 3HD1 LEU 10 -3.047 10.416 2.742 58 HD21 LEU 10 3HD2 LEU 10 -1.828 6.759 1.809 59 HD22 LEU 10 1HD2 LEU 10 -0.657 7.959 2.358 60 HD23 LEU 10 2HD2 LEU 10 -1.777 8.353 1.054 61 H LEU 11 H LEU 11 0.728 7.744 6.008 62 HA LEU 11 HA LEU 11 1.806 6.107 3.940 63 HB2 LEU 11 1HB LEU 11 2.914 7.966 5.396 64 HB3 LEU 11 2HB LEU 11 3.236 6.638 6.511 65 HG LEU 11 HG LEU 11 5.118 7.258 4.956 66 HD11 LEU 11 1HD1 LEU 11 4.995 4.593 4.155 67 HD12 LEU 11 2HD1 LEU 11 4.079 4.665 5.659 68 HD13 LEU 11 3HD1 LEU 11 5.748 5.235 5.614 69 HD21 LEU 11 3HD2 LEU 11 3.353 7.430 3.009 70 HD22 LEU 11 1HD2 LEU 11 3.727 5.716 2.824 71 HD23 LEU 11 2HD2 LEU 11 5.012 6.917 2.696 72 H ARG 12 H ARG 12 1.023 5.582 7.349 73 HA ARG 12 HA ARG 12 2.128 3.144 7.849 74 HB2 ARG 12 1HB ARG 12 -0.403 4.451 8.717 75 HB3 ARG 12 2HB ARG 12 -0.197 2.745 9.091 76 HG2 ARG 12 1HG ARG 12 1.972 4.682 9.764 77 HG3 ARG 12 2HG ARG 12 0.547 4.553 10.799 78 HD2 ARG 12 1HD ARG 12 2.278 2.221 9.993 79 HD3 ARG 12 2HD ARG 12 2.464 3.118 11.500 80 HE ARG 12 HE ARG 12 -0.199 2.181 11.178 81 HH11 ARG 12 1HH1 ARG 12 3.015 1.164 12.043 82 HH12 ARG 12 2HH1 ARG 12 2.474 -0.143 13.044 83 HH21 ARG 12 1HH2 ARG 12 -0.926 0.464 12.492 84 HH22 ARG 12 2HH2 ARG 12 0.232 -0.540 13.298 85 H GLY 13 H GLY 13 -0.336 3.863 5.559 86 HA2 GLY 13 1HA GLY 13 -1.826 1.619 5.260 87 HA3 GLY 13 2HA GLY 13 -1.200 2.521 3.888 88 H LEU 14 H LEU 14 1.598 1.841 4.800 89 HA LEU 14 HA LEU 14 1.716 -0.730 3.431 90 HB2 LEU 14 1HB LEU 14 3.980 1.057 4.300 91 HB3 LEU 14 2HB LEU 14 4.076 -0.311 3.192 92 HG LEU 14 HG LEU 14 2.413 2.111 2.566 93 HD11 LEU 14 1HD1 LEU 14 5.153 2.203 2.957 94 HD12 LEU 14 2HD1 LEU 14 4.181 3.352 2.037 95 HD13 LEU 14 3HD1 LEU 14 4.971 2.008 1.213 96 HD21 LEU 14 3HD2 LEU 14 3.759 0.074 0.796 97 HD22 LEU 14 1HD2 LEU 14 2.651 1.352 0.294 98 HD23 LEU 14 2HD2 LEU 14 2.065 0.017 1.288 99 H GLU 15 H GLU 15 3.001 0.756 6.402 100 HA GLU 15 HA GLU 15 4.076 -1.634 7.455 101 HB2 GLU 15 1HB GLU 15 3.247 0.943 8.791 102 HB3 GLU 15 2HB GLU 15 4.060 -0.369 9.633 103 HG2 GLU 15 1HG GLU 15 5.866 -0.138 7.825 104 HG3 GLU 15 2HG GLU 15 5.116 1.420 7.481 105 H CYS 16 H CYS 16 0.885 -0.578 7.118 106 HA CYS 16 HA CYS 16 -0.292 -1.706 9.430 107 HB2 CYS 16 1HB CYS 16 -1.566 -0.108 8.210 108 HB3 CYS 16 2HB CYS 16 -1.395 -1.012 6.711 109 HG CYS 16 HG CYS 16 -4.025 -1.302 7.405 110 H ILE 17 H ILE 17 0.310 -2.966 6.179 111 HA ILE 17 HA ILE 17 -0.846 -5.540 6.856 112 HB ILE 17 HB ILE 17 -0.073 -6.175 4.542 113 HG12 ILE 17 1HG1 ILE 17 0.435 -3.222 4.200 114 HG13 ILE 17 2HG1 ILE 17 1.729 -4.367 4.533 115 HG21 ILE 17 1HG2 ILE 17 -1.779 -4.745 3.410 116 HG22 ILE 17 2HG2 ILE 17 -2.345 -5.525 4.885 117 HG23 ILE 17 3HG2 ILE 17 -1.910 -3.817 4.902 118 HD11 ILE 17 3HD1 ILE 17 1.081 -5.604 2.485 119 HD12 ILE 17 1HD1 ILE 17 -0.083 -4.326 2.134 120 HD13 ILE 17 2HD1 ILE 17 1.642 -3.960 2.183 121 H ASN 18 H ASN 18 0.243 -7.290 7.507 122 HA ASN 18 HA ASN 18 2.802 -7.203 8.524 123 HB2 ASN 18 1HB ASN 18 0.908 -9.001 8.747 124 HB3 ASN 18 2HB ASN 18 1.748 -9.776 7.407 125 HD21 ASN 18 1HD2 ASN 18 2.673 -8.127 10.413 126 HD22 ASN 18 2HD2 ASN 18 3.766 -9.354 10.947 127 H LYS 19 H LYS 19 4.784 -8.217 7.832 128 HA LYS 19 HA LYS 19 5.716 -7.393 5.374 129 HB2 LYS 19 1HB LYS 19 6.678 -9.622 7.167 130 HB3 LYS 19 2HB LYS 19 7.558 -9.098 5.737 131 HG2 LYS 19 1HG LYS 19 6.794 -7.101 7.819 132 HG3 LYS 19 2HG LYS 19 8.188 -8.155 8.071 133 HD2 LYS 19 1HD LYS 19 8.923 -7.386 5.727 134 HD3 LYS 19 2HD LYS 19 7.746 -6.089 5.940 135 HE2 LYS 19 1HE LYS 19 9.857 -5.248 6.645 136 HE3 LYS 19 2HE LYS 19 8.898 -5.529 8.096 137 HZ1 LYS 19 3HZ LYS 19 11.379 -6.700 7.316 138 HZ2 LYS 19 1HZ LYS 19 10.225 -7.883 7.681 139 HZ3 LYS 19 2HZ LYS 19 10.619 -6.702 8.826 140 H HIS 20 H HIS 20 3.836 -10.175 6.133 141 HA HIS 20 HA HIS 20 4.512 -11.879 4.020 142 HB2 HIS 20 1HB HIS 20 3.174 -12.862 5.657 143 HB3 HIS 20 2HB HIS 20 2.043 -11.514 5.682 144 HD1 HIS 20 HD1 HIS 20 2.982 -14.496 3.561 145 HD2 HIS 20 HD2 HIS 20 -0.135 -11.791 4.038 146 HE1 HIS 20 HE1 HIS 20 1.112 -15.364 2.121 147 HE2 HIS 20 HE2 HIS 20 -0.733 -13.666 2.359 148 H TYR 21 H TYR 21 1.782 -9.590 4.215 149 HA TYR 21 HA TYR 21 1.116 -9.874 1.462 150 HB2 TYR 21 1HB TYR 21 0.251 -8.064 3.681 151 HB3 TYR 21 2HB TYR 21 -0.178 -7.651 2.025 152 HD1 TYR 21 HD1 TYR 21 -0.835 -10.156 0.782 153 HD2 TYR 21 HD2 TYR 21 -1.627 -8.868 4.759 154 HE1 TYR 21 HE1 TYR 21 -2.751 -11.695 0.892 155 HE2 TYR 21 HE2 TYR 21 -3.545 -10.402 4.880 156 HH TYR 21 HH TYR 21 -4.192 -12.739 2.363 157 H PHE 22 H PHE 22 2.828 -7.391 3.328 158 HA PHE 22 HA PHE 22 3.224 -5.422 1.511 159 HB2 PHE 22 1HB PHE 22 4.138 -5.371 3.793 160 HB3 PHE 22 2HB PHE 22 5.350 -6.564 3.336 161 HD1 PHE 22 HD1 PHE 22 4.226 -3.689 1.303 162 HD2 PHE 22 HD2 PHE 22 7.319 -5.346 3.711 163 HE1 PHE 22 HE1 PHE 22 5.737 -1.878 0.601 164 HE2 PHE 22 HE2 PHE 22 8.835 -3.538 3.015 165 HZ PHE 22 HZ PHE 22 8.044 -1.800 1.458 166 H SER 23 H SER 23 5.040 -8.461 1.685 167 HA SER 23 HA SER 23 6.941 -8.000 -0.265 168 HB2 SER 23 1HB SER 23 6.642 -10.052 1.252 169 HB3 SER 23 2HB SER 23 5.545 -10.658 0.011 170 HG SER 23 HG SER 23 7.223 -10.659 -1.450 171 H LEU 24 H LEU 24 3.755 -9.533 -0.741 172 HA LEU 24 HA LEU 24 3.805 -9.890 -3.457 173 HB2 LEU 24 1HB LEU 24 1.532 -9.103 -1.653 174 HB3 LEU 24 2HB LEU 24 1.303 -9.499 -3.355 175 HG LEU 24 HG LEU 24 2.388 -11.748 -2.790 176 HD11 LEU 24 1HD1 LEU 24 1.679 -12.191 -0.244 177 HD12 LEU 24 2HD1 LEU 24 2.176 -10.502 -0.121 178 HD13 LEU 24 3HD1 LEU 24 3.308 -11.712 -0.727 179 HD21 LEU 24 3HD2 LEU 24 0.230 -12.186 -3.182 180 HD22 LEU 24 1HD2 LEU 24 -0.315 -10.757 -2.303 181 HD23 LEU 24 2HD2 LEU 24 0.062 -12.239 -1.426 182 H PHE 25 H PHE 25 2.735 -6.966 -1.733 183 HA PHE 25 HA PHE 25 2.031 -5.414 -3.913 184 HB2 PHE 25 1HB PHE 25 1.761 -4.866 -1.443 185 HB3 PHE 25 2HB PHE 25 3.435 -4.322 -1.475 186 HD1 PHE 25 HD1 PHE 25 0.565 -3.887 -3.818 187 HD2 PHE 25 HD2 PHE 25 3.521 -2.033 -1.382 188 HE1 PHE 25 HE1 PHE 25 -0.175 -1.677 -4.609 189 HE2 PHE 25 HE2 PHE 25 2.787 0.180 -2.167 190 HZ PHE 25 HZ PHE 25 0.936 0.360 -3.783 191 H LYS 26 H LYS 26 5.216 -5.713 -2.365 192 HA LYS 26 HA LYS 26 6.611 -3.892 -3.936 193 HB2 LYS 26 1HB LYS 26 7.356 -6.291 -2.336 194 HB3 LYS 26 2HB LYS 26 8.557 -5.650 -3.450 195 HG2 LYS 26 1HG LYS 26 8.309 -3.436 -2.361 196 HG3 LYS 26 2HG LYS 26 7.228 -4.182 -1.182 197 HD2 LYS 26 1HD LYS 26 10.014 -5.202 -1.680 198 HD3 LYS 26 2HD LYS 26 9.674 -3.923 -0.512 199 HE2 LYS 26 1HE LYS 26 8.185 -5.397 0.709 200 HE3 LYS 26 2HE LYS 26 8.417 -6.665 -0.494 201 HZ1 LYS 26 3HZ LYS 26 10.140 -5.846 1.683 202 HZ2 LYS 26 1HZ LYS 26 10.939 -6.147 0.221 203 HZ3 LYS 26 2HZ LYS 26 9.987 -7.354 0.928 204 H SER 27 H SER 27 5.545 -7.126 -4.650 205 HA SER 27 HA SER 27 7.237 -7.527 -6.917 206 HB2 SER 27 1HB SER 27 6.232 -9.408 -5.666 207 HB3 SER 27 2HB SER 27 4.631 -8.897 -6.201 208 HG SER 27 HG SER 27 6.607 -10.244 -7.568 209 H LEU 28 H LEU 28 3.883 -6.475 -6.474 210 HA LEU 28 HA LEU 28 3.277 -6.256 -9.232 211 HB2 LEU 28 1HB LEU 28 2.017 -4.731 -6.962 212 HB3 LEU 28 2HB LEU 28 1.312 -5.063 -8.543 213 HG LEU 28 HG LEU 28 1.978 -7.227 -6.557 214 HD11 LEU 28 1HD1 LEU 28 -0.037 -5.263 -6.329 215 HD12 LEU 28 2HD1 LEU 28 0.193 -6.713 -5.354 216 HD13 LEU 28 3HD1 LEU 28 -0.822 -6.772 -6.794 217 HD21 LEU 28 3HD2 LEU 28 0.766 -7.091 -9.239 218 HD22 LEU 28 1HD2 LEU 28 -0.055 -8.133 -8.076 219 HD23 LEU 28 2HD2 LEU 28 1.646 -8.402 -8.452 220 H LEU 29 H LEU 29 4.848 -4.155 -6.951 221 HA LEU 29 HA LEU 29 4.743 -1.892 -8.791 222 HB2 LEU 29 1HB LEU 29 5.472 -2.270 -5.935 223 HB3 LEU 29 2HB LEU 29 6.209 -0.929 -6.809 224 HG LEU 29 HG LEU 29 4.263 -0.179 -5.573 225 HD11 LEU 29 1HD1 LEU 29 4.817 0.813 -7.791 226 HD12 LEU 29 2HD1 LEU 29 3.120 0.961 -7.336 227 HD13 LEU 29 3HD1 LEU 29 3.614 -0.255 -8.514 228 HD21 LEU 29 3HD2 LEU 29 2.113 -1.055 -5.813 229 HD22 LEU 29 1HD2 LEU 29 3.147 -2.481 -5.730 230 HD23 LEU 29 2HD2 LEU 29 2.531 -1.929 -7.287 231 H ALA 30 H ALA 30 6.787 -4.483 -7.950 232 HA ALA 30 HA ALA 30 9.347 -3.633 -8.176 233 HB1 ALA 30 3HB ALA 30 8.438 -6.013 -9.758 234 HB2 ALA 30 1HB ALA 30 9.949 -5.779 -8.879 235 HB3 ALA 30 2HB ALA 30 8.442 -6.021 -7.994 236 H ARG 31 H ARG 31 7.024 -3.958 -10.809 237 HA ARG 31 HA ARG 31 8.898 -3.393 -12.886 238 HB2 ARG 31 1HB ARG 31 6.602 -2.823 -14.093 239 HB3 ARG 31 2HB ARG 31 7.094 -4.480 -13.773 240 HG2 ARG 31 1HG ARG 31 5.499 -3.080 -11.699 241 HG3 ARG 31 2HG ARG 31 4.682 -3.600 -13.175 242 HD2 ARG 31 1HD ARG 31 6.452 -5.520 -11.737 243 HD3 ARG 31 2HD ARG 31 4.845 -5.188 -11.091 244 HE ARG 31 HE ARG 31 5.463 -6.806 -13.329 245 HH11 ARG 31 1HH1 ARG 31 3.126 -4.494 -12.181 246 HH12 ARG 31 2HH1 ARG 31 1.832 -5.129 -13.142 247 HH21 ARG 31 1HH2 ARG 31 3.766 -7.650 -14.599 248 HH22 ARG 31 2HH2 ARG 31 2.197 -6.925 -14.517 249 H ASP 32 H ASP 32 6.393 -1.467 -11.255 250 HA ASP 32 HA ASP 32 6.944 0.928 -12.664 251 HB2 ASP 32 1HB ASP 32 5.369 0.179 -10.253 252 HB3 ASP 32 2HB ASP 32 5.799 1.877 -10.442 253 H LEU 33 H LEU 33 7.608 0.143 -9.245 254 HA LEU 33 HA LEU 33 9.363 2.317 -8.852 255 HB2 LEU 33 1HB LEU 33 9.014 -0.269 -7.350 256 HB3 LEU 33 2HB LEU 33 10.071 1.035 -6.812 257 HG LEU 33 HG LEU 33 7.070 1.156 -7.098 258 HD11 LEU 33 1HD1 LEU 33 6.986 1.217 -4.741 259 HD12 LEU 33 2HD1 LEU 33 8.732 1.421 -4.606 260 HD13 LEU 33 3HD1 LEU 33 8.064 -0.117 -5.153 261 HD21 LEU 33 3HD2 LEU 33 7.999 3.359 -5.663 262 HD22 LEU 33 1HD2 LEU 33 7.318 3.356 -7.290 263 HD23 LEU 33 2HD2 LEU 33 9.063 3.240 -7.065 264 H ASN 34 H ASN 34 9.779 -0.558 -10.545 265 HA ASN 34 HA ASN 34 11.566 -1.556 -11.536 266 HB2 ASN 34 1HB ASN 34 12.965 1.036 -10.842 267 HB3 ASN 34 2HB ASN 34 13.547 -0.167 -11.988 268 HD21 ASN 34 1HD2 ASN 34 12.461 2.739 -12.033 269 HD22 ASN 34 2HD2 ASN 34 11.414 2.729 -13.407 270 H LEU 35 H LEU 35 11.094 -2.114 -8.799 271 HA LEU 35 HA LEU 35 13.439 -2.033 -7.234 272 HB2 LEU 35 1HB LEU 35 11.186 -4.030 -7.096 273 HB3 LEU 35 2HB LEU 35 12.351 -3.674 -5.823 274 HG LEU 35 HG LEU 35 10.347 -1.684 -6.880 275 HD11 LEU 35 1HD1 LEU 35 9.818 -3.940 -5.335 276 HD12 LEU 35 2HD1 LEU 35 8.780 -2.532 -5.558 277 HD13 LEU 35 3HD1 LEU 35 9.889 -2.603 -4.188 278 HD21 LEU 35 3HD2 LEU 35 11.893 -1.627 -4.301 279 HD22 LEU 35 1HD2 LEU 35 10.972 -0.325 -5.055 280 HD23 LEU 35 2HD2 LEU 35 12.482 -0.872 -5.784 281 H GLU 36 H GLU 36 14.606 -4.027 -6.481 282 HA GLU 36 HA GLU 36 15.489 -5.515 -8.826 283 HB2 GLU 36 1HB GLU 36 16.620 -5.092 -6.072 284 HB3 GLU 36 2HB GLU 36 17.248 -6.350 -7.126 285 HG2 GLU 36 1HG GLU 36 18.182 -4.863 -8.585 286 HG3 GLU 36 2HG GLU 36 17.027 -3.589 -8.199 287 H ARG 37 H ARG 37 14.063 -7.139 -9.211 288 HA ARG 37 HA ARG 37 12.499 -8.611 -7.599 289 HB2 ARG 37 1HB ARG 37 14.196 -9.754 -9.827 290 HB3 ARG 37 2HB ARG 37 12.752 -10.500 -9.155 291 HG2 ARG 37 1HG ARG 37 12.529 -7.740 -10.227 292 HG3 ARG 37 2HG ARG 37 12.680 -9.076 -11.371 293 HD2 ARG 37 1HD ARG 37 10.699 -9.239 -9.140 294 HD3 ARG 37 2HD ARG 37 10.324 -8.291 -10.578 295 HE ARG 37 HE ARG 37 11.225 -10.850 -11.337 296 HH11 ARG 37 1HH1 ARG 37 8.490 -9.264 -9.878 297 HH12 ARG 37 2HH1 ARG 37 7.346 -10.445 -10.428 298 HH21 ARG 37 1HH2 ARG 37 9.729 -12.411 -12.065 299 HH22 ARG 37 2HH2 ARG 37 8.053 -12.235 -11.670 300 H ASP 38 H ASP 38 15.964 -8.738 -7.703 301 HA ASP 38 HA ASP 38 16.067 -11.137 -6.049 302 HB2 ASP 38 1HB ASP 38 18.416 -9.451 -6.904 303 HB3 ASP 38 2HB ASP 38 18.409 -11.146 -6.422 304 H ASN 39 H ASN 39 16.791 -7.684 -5.855 305 HA ASN 39 HA ASN 39 17.341 -7.977 -2.986 306 HB2 ASN 39 1HB ASN 39 18.843 -6.675 -4.739 307 HB3 ASN 39 2HB ASN 39 17.696 -5.379 -4.413 308 HD21 ASN 39 1HD2 ASN 39 19.929 -4.543 -3.714 309 HD22 ASN 39 2HD2 ASN 39 20.300 -4.732 -2.037 310 H GLN 40 H GLN 40 14.713 -8.314 -3.618 311 HA GLN 40 HA GLN 40 13.326 -5.784 -3.309 312 HB2 GLN 40 1HB GLN 40 12.545 -8.593 -3.884 313 HB3 GLN 40 2HB GLN 40 11.350 -7.576 -3.091 314 HG2 GLN 40 1HG GLN 40 11.510 -5.958 -4.904 315 HG3 GLN 40 2HG GLN 40 12.724 -6.960 -5.696 316 HE21 GLN 40 1HE2 GLN 40 11.209 -6.879 -7.492 317 HE22 GLN 40 2HE2 GLN 40 9.904 -8.010 -7.541 318 H GLU 41 H GLU 41 14.508 -8.332 -1.334 319 HA GLU 41 HA GLU 41 12.720 -7.922 0.867 320 HB2 GLU 41 1HB GLU 41 14.315 -9.354 2.115 321 HB3 GLU 41 2HB GLU 41 13.779 -10.076 0.604 322 HG2 GLU 41 1HG GLU 41 15.871 -9.392 -0.462 323 HG3 GLU 41 2HG GLU 41 16.409 -8.684 1.061 324 H GLN 42 H GLN 42 16.093 -7.023 0.191 325 HA GLN 42 HA GLN 42 16.810 -5.789 2.511 326 HB2 GLN 42 1HB GLN 42 18.403 -4.539 1.278 327 HB3 GLN 42 2HB GLN 42 18.183 -6.046 0.398 328 HG2 GLN 42 1HG GLN 42 17.091 -5.031 -1.347 329 HG3 GLN 42 2HG GLN 42 16.564 -3.666 -0.364 330 HE21 GLN 42 1HE2 GLN 42 17.472 -2.837 -2.590 331 HE22 GLN 42 2HE2 GLN 42 19.101 -2.267 -2.518 332 H TYR 43 H TYR 43 14.524 -4.661 0.139 333 HA TYR 43 HA TYR 43 14.396 -1.966 1.069 334 HB2 TYR 43 1HB TYR 43 12.584 -3.638 -0.668 335 HB3 TYR 43 2HB TYR 43 12.204 -1.972 -0.243 336 HD1 TYR 43 HD1 TYR 43 14.527 -0.440 -0.532 337 HD2 TYR 43 HD2 TYR 43 13.377 -3.841 -2.816 338 HE1 TYR 43 HE1 TYR 43 15.911 0.356 -2.403 339 HE2 TYR 43 HE2 TYR 43 14.758 -3.055 -4.693 340 HH TYR 43 HH TYR 43 17.117 -1.031 -4.520 341 H THR 44 H THR 44 12.512 -0.984 2.083 342 HA THR 44 HA THR 44 10.931 -2.800 3.757 343 HB THR 44 HB THR 44 11.281 -1.422 5.742 344 HG1 THR 44 HG1 THR 44 11.809 0.530 4.503 345 HG21 THR 44 3HG2 THR 44 12.811 -3.347 5.203 346 HG22 THR 44 1HG2 THR 44 13.489 -2.137 6.291 347 HG23 THR 44 2HG2 THR 44 13.969 -2.164 4.594 348 H THR 45 H THR 45 9.002 -1.828 4.646 349 HA THR 45 HA THR 45 7.382 -0.532 2.915 350 HB THR 45 HB THR 45 6.030 0.251 4.843 351 HG1 THR 45 HG1 THR 45 7.566 0.806 6.349 352 HG21 THR 45 3HG2 THR 45 7.117 -2.547 4.811 353 HG22 THR 45 1HG2 THR 45 5.560 -1.958 4.233 354 HG23 THR 45 2HG2 THR 45 5.875 -2.063 5.965 355 H ILE 46 H ILE 46 9.899 0.900 4.817 356 HA ILE 46 HA ILE 46 9.001 3.608 4.524 357 HB ILE 46 HB ILE 46 11.628 2.422 5.400 358 HG12 ILE 46 1HG1 ILE 46 9.804 2.195 6.995 359 HG13 ILE 46 2HG1 ILE 46 10.962 3.382 7.585 360 HG21 ILE 46 1HG2 ILE 46 12.611 4.356 4.909 361 HG22 ILE 46 2HG2 ILE 46 11.073 5.099 4.470 362 HG23 ILE 46 3HG2 ILE 46 11.603 5.098 6.152 363 HD11 ILE 46 3HD1 ILE 46 8.153 3.671 6.987 364 HD12 ILE 46 1HD1 ILE 46 9.229 4.723 7.906 365 HD13 ILE 46 2HD1 ILE 46 9.130 4.879 6.152 366 H GLN 47 H GLN 47 12.008 2.099 3.341 367 HA GLN 47 HA GLN 47 12.712 3.978 1.483 368 HB2 GLN 47 1HB GLN 47 13.051 0.981 1.323 369 HB3 GLN 47 2HB GLN 47 13.870 2.123 0.264 370 HG2 GLN 47 1HG GLN 47 14.669 3.178 2.517 371 HG3 GLN 47 2HG GLN 47 14.295 1.580 3.159 372 HE21 GLN 47 1HE2 GLN 47 15.461 -0.212 2.406 373 HE22 GLN 47 2HE2 GLN 47 16.995 -0.032 1.634 374 H ILE 48 H ILE 48 10.418 1.327 1.090 375 HA ILE 48 HA ILE 48 9.974 1.743 -1.689 376 HB ILE 48 HB ILE 48 8.165 0.408 0.329 377 HG12 ILE 48 1HG1 ILE 48 10.562 -0.478 0.032 378 HG13 ILE 48 2HG1 ILE 48 9.242 -1.628 -0.145 379 HG21 ILE 48 1HG2 ILE 48 8.065 0.744 -2.610 380 HG22 ILE 48 2HG2 ILE 48 7.623 -0.837 -1.968 381 HG23 ILE 48 3HG2 ILE 48 6.755 0.603 -1.438 382 HD11 ILE 48 3HD1 ILE 48 11.303 -1.296 -1.895 383 HD12 ILE 48 1HD1 ILE 48 9.753 -2.050 -2.272 384 HD13 ILE 48 2HD1 ILE 48 10.020 -0.346 -2.645 385 H ALA 49 H ALA 49 8.455 2.950 1.247 386 HA ALA 49 HA ALA 49 6.153 4.081 0.154 387 HB1 ALA 49 3HB ALA 49 6.059 4.138 2.424 388 HB2 ALA 49 1HB ALA 49 7.766 4.544 2.597 389 HB3 ALA 49 2HB ALA 49 6.604 5.791 2.140 390 H ASN 50 H ASN 50 9.112 5.873 1.043 391 HA ASN 50 HA ASN 50 8.549 8.278 -0.112 392 HB2 ASN 50 1HB ASN 50 11.195 6.832 0.071 393 HB3 ASN 50 2HB ASN 50 11.051 8.508 -0.454 394 HD21 ASN 50 1HD2 ASN 50 11.219 6.386 2.182 395 HD22 ASN 50 2HD2 ASN 50 10.986 7.548 3.440 396 H MET 51 H MET 51 10.447 5.728 -1.740 397 HA MET 51 HA MET 51 10.716 6.800 -4.219 398 HB2 MET 51 1HB MET 51 10.196 3.955 -3.389 399 HB3 MET 51 2HB MET 51 10.477 4.383 -5.072 400 HG2 MET 51 1HG MET 51 12.594 5.577 -4.032 401 HG3 MET 51 2HG MET 51 12.348 4.367 -2.774 402 HE1 MET 51 3HE MET 51 13.960 1.731 -3.422 403 HE2 MET 51 1HE MET 51 12.333 2.166 -2.900 404 HE3 MET 51 2HE MET 51 12.558 1.101 -4.287 405 H MET 52 H MET 52 7.812 5.362 -2.859 406 HA MET 52 HA MET 52 6.344 5.466 -5.327 407 HB2 MET 52 1HB MET 52 5.651 4.827 -2.479 408 HB3 MET 52 2HB MET 52 4.376 5.072 -3.665 409 HG2 MET 52 1HG MET 52 5.620 3.321 -5.066 410 HG3 MET 52 2HG MET 52 6.467 2.934 -3.570 411 HE1 MET 52 3HE MET 52 3.506 2.155 -5.756 412 HE2 MET 52 1HE MET 52 2.133 1.993 -4.661 413 HE3 MET 52 2HE MET 52 2.833 3.582 -4.966 414 H GLU 53 H GLU 53 6.379 7.347 -2.315 415 HA GLU 53 HA GLU 53 4.332 9.087 -2.669 416 HB2 GLU 53 1HB GLU 53 7.070 9.435 -1.523 417 HB3 GLU 53 2HB GLU 53 6.032 10.845 -1.685 418 HG2 GLU 53 1HG GLU 53 4.283 9.331 -0.472 419 HG3 GLU 53 2HG GLU 53 5.716 8.448 0.051 420 H GLU 54 H GLU 54 7.509 9.280 -4.220 421 HA GLU 54 HA GLU 54 6.770 11.663 -5.689 422 HB2 GLU 54 1HB GLU 54 9.231 9.928 -5.957 423 HB3 GLU 54 2HB GLU 54 9.008 11.531 -6.643 424 HG2 GLU 54 1HG GLU 54 8.595 12.183 -4.128 425 HG3 GLU 54 2HG GLU 54 9.540 10.725 -3.837 426 H LYS 55 H LYS 55 7.697 8.329 -6.541 427 HA LYS 55 HA LYS 55 7.448 8.259 -9.207 428 HB2 LYS 55 1HB LYS 55 7.873 6.266 -7.841 429 HB3 LYS 55 2HB LYS 55 6.191 6.254 -7.324 430 HG2 LYS 55 1HG LYS 55 6.299 4.632 -8.991 431 HG3 LYS 55 2HG LYS 55 5.612 6.042 -9.801 432 HD2 LYS 55 1HD LYS 55 7.779 6.593 -10.742 433 HD3 LYS 55 2HD LYS 55 8.525 5.253 -9.868 434 HE2 LYS 55 1HE LYS 55 7.453 3.646 -11.186 435 HE3 LYS 55 2HE LYS 55 6.258 4.799 -11.778 436 HZ1 LYS 55 3HZ LYS 55 9.095 4.533 -12.558 437 HZ2 LYS 55 1HZ LYS 55 8.234 5.960 -12.849 438 HZ3 LYS 55 2HZ LYS 55 7.721 4.506 -13.546 439 H PHE 56 H PHE 56 4.656 8.011 -7.008 440 HA PHE 56 HA PHE 56 2.930 8.793 -9.264 441 HB2 PHE 56 1HB PHE 56 1.898 7.450 -6.785 442 HB3 PHE 56 2HB PHE 56 1.190 7.494 -8.396 443 HD1 PHE 56 HD1 PHE 56 3.902 6.029 -6.366 444 HD2 PHE 56 HD2 PHE 56 1.691 5.840 -9.998 445 HE1 PHE 56 HE1 PHE 56 4.912 3.841 -6.862 446 HE2 PHE 56 HE2 PHE 56 2.696 3.652 -10.500 447 HZ PHE 56 HZ PHE 56 4.308 2.649 -8.931 448 HA PRO 57 HA PRO 57 2.828 12.412 -6.457 449 HB2 PRO 57 1HB PRO 57 2.418 14.206 -8.453 450 HB3 PRO 57 2HB PRO 57 4.024 13.617 -8.005 451 HG2 PRO 57 1HG PRO 57 2.247 12.746 -10.251 452 HG3 PRO 57 2HG PRO 57 3.995 13.040 -10.257 453 HD2 PRO 57 1HD PRO 57 2.937 10.553 -10.108 454 HD3 PRO 57 2HD PRO 57 4.471 10.986 -9.327 455 H ALA 58 H ALA 58 0.605 10.691 -8.181 456 HA ALA 58 HA ALA 58 -1.583 12.591 -7.985 457 HB1 ALA 58 3HB ALA 58 -1.557 11.185 -9.929 458 HB2 ALA 58 1HB ALA 58 -1.485 9.732 -8.933 459 HB3 ALA 58 2HB ALA 58 -2.938 10.732 -8.930 460 H ASP 59 H ASP 59 -0.937 9.313 -6.729 461 HA ASP 59 HA ASP 59 -2.574 10.005 -4.377 462 HB2 ASP 59 1HB ASP 59 -2.284 7.193 -5.407 463 HB3 ASP 59 2HB ASP 59 -3.503 7.844 -4.314 464 H SER 60 H SER 60 0.421 9.980 -5.069 465 HA SER 60 HA SER 60 2.406 9.354 -4.123 466 HB2 SER 60 1HB SER 60 2.302 9.342 -1.568 467 HB3 SER 60 2HB SER 60 1.743 10.809 -2.370 468 HG SER 60 HG SER 60 0.334 8.946 -0.897 469 H GLY 61 H GLY 61 0.607 7.168 -4.992 470 HA2 GLY 61 1HA GLY 61 1.164 4.876 -5.104 471 HA3 GLY 61 2HA GLY 61 1.987 5.025 -3.558 472 H LEU 62 H LEU 62 -0.332 6.446 -2.372 473 HA LEU 62 HA LEU 62 -1.559 4.481 -0.985 474 HB2 LEU 62 1HB LEU 62 -1.963 6.727 -0.377 475 HB3 LEU 62 2HB LEU 62 -2.673 7.100 -1.948 476 HG LEU 62 HG LEU 62 -4.628 5.740 -1.386 477 HD11 LEU 62 1HD1 LEU 62 -4.862 5.041 1.034 478 HD12 LEU 62 2HD1 LEU 62 -3.118 5.261 1.167 479 HD13 LEU 62 3HD1 LEU 62 -3.772 4.073 0.041 480 HD21 LEU 62 3HD2 LEU 62 -4.572 7.370 1.020 481 HD22 LEU 62 1HD2 LEU 62 -5.586 7.505 -0.417 482 HD23 LEU 62 2HD2 LEU 62 -3.979 8.233 -0.401 483 H GLY 63 H GLY 63 -2.851 5.865 -4.009 484 HA2 GLY 63 1HA GLY 63 -5.105 4.286 -4.280 485 HA3 GLY 63 2HA GLY 63 -4.187 4.937 -5.630 486 H LYS 64 H LYS 64 -1.837 3.587 -5.508 487 HA LYS 64 HA LYS 64 -2.417 1.161 -6.745 488 HB2 LYS 64 1HB LYS 64 -0.253 2.549 -6.802 489 HB3 LYS 64 2HB LYS 64 0.183 1.699 -5.326 490 HG2 LYS 64 1HG LYS 64 1.214 0.432 -6.948 491 HG3 LYS 64 2HG LYS 64 -0.303 -0.439 -6.706 492 HD2 LYS 64 1HD LYS 64 -0.212 -0.326 -9.004 493 HD3 LYS 64 2HD LYS 64 -1.158 1.118 -8.629 494 HE2 LYS 64 1HE LYS 64 0.903 2.463 -8.750 495 HE3 LYS 64 2HE LYS 64 1.807 1.013 -9.185 496 HZ1 LYS 64 3HZ LYS 64 -0.349 1.180 -10.927 497 HZ2 LYS 64 1HZ LYS 64 1.289 1.408 -11.285 498 HZ3 LYS 64 2HZ LYS 64 0.325 2.730 -10.855 499 H LEU 65 H LEU 65 -1.558 1.858 -3.389 500 HA LEU 65 HA LEU 65 -1.382 -0.849 -2.560 501 HB2 LEU 65 1HB LEU 65 -0.351 0.977 -1.315 502 HB3 LEU 65 2HB LEU 65 -1.942 1.644 -0.959 503 HG LEU 65 HG LEU 65 -0.795 0.388 0.913 504 HD11 LEU 65 1HD1 LEU 65 -3.390 0.756 0.386 505 HD12 LEU 65 2HD1 LEU 65 -2.810 -0.103 1.813 506 HD13 LEU 65 3HD1 LEU 65 -3.347 -1.007 0.398 507 HD21 LEU 65 3HD2 LEU 65 -0.115 -1.469 -0.779 508 HD22 LEU 65 1HD2 LEU 65 -1.724 -2.107 -0.444 509 HD23 LEU 65 2HD2 LEU 65 -0.564 -1.909 0.870 510 H ILE 66 H ILE 66 -3.955 1.587 -2.217 511 HA ILE 66 HA ILE 66 -5.853 0.245 -0.831 512 HB ILE 66 HB ILE 66 -6.204 2.012 -3.244 513 HG12 ILE 66 1HG1 ILE 66 -6.625 2.443 -0.278 514 HG13 ILE 66 2HG1 ILE 66 -5.291 3.073 -1.238 515 HG21 ILE 66 1HG2 ILE 66 -8.147 0.607 -3.194 516 HG22 ILE 66 2HG2 ILE 66 -8.331 0.846 -1.457 517 HG23 ILE 66 3HG2 ILE 66 -8.590 2.194 -2.565 518 HD11 ILE 66 3HD1 ILE 66 -8.137 3.929 -1.154 519 HD12 ILE 66 1HD1 ILE 66 -6.664 4.897 -1.109 520 HD13 ILE 66 2HD1 ILE 66 -7.201 4.178 -2.627 521 H GLU 67 H GLU 67 -5.549 0.070 -4.385 522 HA GLU 67 HA GLU 67 -7.485 -1.826 -4.883 523 HB2 GLU 67 1HB GLU 67 -4.841 -1.357 -6.260 524 HB3 GLU 67 2HB GLU 67 -6.062 -2.459 -6.879 525 HG2 GLU 67 1HG GLU 67 -7.622 -0.376 -6.690 526 HG3 GLU 67 2HG GLU 67 -6.101 0.513 -6.715 527 H PHE 68 H PHE 68 -4.078 -2.364 -4.050 528 HA PHE 68 HA PHE 68 -4.047 -5.143 -4.255 529 HB2 PHE 68 1HB PHE 68 -1.979 -3.953 -4.012 530 HB3 PHE 68 2HB PHE 68 -2.482 -3.283 -2.463 531 HD1 PHE 68 HD1 PHE 68 -1.401 -6.343 -4.199 532 HD2 PHE 68 HD2 PHE 68 -2.232 -4.511 -0.447 533 HE1 PHE 68 HE1 PHE 68 -0.335 -8.236 -3.043 534 HE2 PHE 68 HE2 PHE 68 -1.165 -6.400 0.715 535 HZ PHE 68 HZ PHE 68 -0.215 -8.265 -0.583 536 H CYS 69 H CYS 69 -5.347 -3.069 -1.789 537 HA CYS 69 HA CYS 69 -5.629 -5.191 0.153 538 HB2 CYS 69 1HB CYS 69 -6.283 -2.278 0.060 539 HB3 CYS 69 2HB CYS 69 -7.124 -3.288 1.230 540 HG CYS 69 HG CYS 69 -3.715 -3.054 1.028 541 H GLU 70 H GLU 70 -7.372 -4.039 -2.524 542 HA GLU 70 HA GLU 70 -9.988 -4.794 -1.591 543 HB2 GLU 70 1HB GLU 70 -8.940 -4.042 -4.321 544 HB3 GLU 70 2HB GLU 70 -10.623 -4.432 -4.003 545 HG2 GLU 70 1HG GLU 70 -10.819 -2.562 -2.496 546 HG3 GLU 70 2HG GLU 70 -9.102 -2.205 -2.670 547 H GLU 71 H GLU 71 -7.563 -6.158 -3.785 548 HA GLU 71 HA GLU 71 -9.047 -8.383 -4.632 549 HB2 GLU 71 1HB GLU 71 -7.054 -9.212 -5.538 550 HB3 GLU 71 2HB GLU 71 -6.828 -7.469 -5.549 551 HG2 GLU 71 1HG GLU 71 -5.566 -7.688 -3.414 552 HG3 GLU 71 2HG GLU 71 -5.675 -9.438 -3.593 553 H VAL 72 H VAL 72 -7.745 -7.653 -1.597 554 HA VAL 72 HA VAL 72 -7.805 -10.482 -0.782 555 HB VAL 72 HB VAL 72 -6.573 -8.210 0.772 556 HG11 VAL 72 1HG1 VAL 72 -6.589 -9.792 2.355 557 HG12 VAL 72 2HG1 VAL 72 -6.940 -11.077 1.197 558 HG13 VAL 72 3HG1 VAL 72 -5.280 -10.530 1.434 559 HG21 VAL 72 3HG2 VAL 72 -5.552 -9.707 -1.539 560 HG22 VAL 72 1HG2 VAL 72 -5.048 -8.151 -0.879 561 HG23 VAL 72 2HG2 VAL 72 -4.461 -9.648 -0.155 562 HA PRO 73 HA PRO 73 -11.623 -9.397 1.249 563 HB2 PRO 73 1HB PRO 73 -12.066 -11.851 2.323 564 HB3 PRO 73 2HB PRO 73 -12.370 -11.478 0.622 565 HG2 PRO 73 1HG PRO 73 -10.015 -12.842 1.870 566 HG3 PRO 73 2HG PRO 73 -10.894 -13.261 0.389 567 HD2 PRO 73 1HD PRO 73 -8.533 -11.936 0.357 568 HD3 PRO 73 2HD PRO 73 -9.794 -11.669 -0.864 569 H ALA 74 H ALA 74 -8.639 -10.172 2.615 570 HA ALA 74 HA ALA 74 -9.640 -9.932 5.364 571 HB1 ALA 74 3HB ALA 74 -6.777 -10.375 5.058 572 HB2 ALA 74 1HB ALA 74 -7.968 -11.265 6.007 573 HB3 ALA 74 2HB ALA 74 -7.759 -11.623 4.292 574 H LEU 75 H LEU 75 -8.413 -8.037 2.915 575 HA LEU 75 HA LEU 75 -7.341 -6.074 4.834 576 HB2 LEU 75 1HB LEU 75 -6.646 -6.432 1.923 577 HB3 LEU 75 2HB LEU 75 -6.023 -5.159 2.971 578 HG LEU 75 HG LEU 75 -5.522 -8.109 3.362 579 HD11 LEU 75 1HD1 LEU 75 -3.129 -6.874 2.777 580 HD12 LEU 75 2HD1 LEU 75 -4.259 -6.143 1.638 581 HD13 LEU 75 3HD1 LEU 75 -4.069 -7.896 1.690 582 HD21 LEU 75 3HD2 LEU 75 -3.704 -7.184 4.861 583 HD22 LEU 75 1HD2 LEU 75 -5.357 -7.028 5.454 584 HD23 LEU 75 2HD2 LEU 75 -4.536 -5.632 4.755 585 H ARG 76 H ARG 76 -9.792 -6.773 2.617 586 HA ARG 76 HA ARG 76 -10.408 -4.330 1.466 587 HB2 ARG 76 1HB ARG 76 -12.010 -6.721 2.256 588 HB3 ARG 76 2HB ARG 76 -12.869 -5.262 1.781 589 HG2 ARG 76 1HG ARG 76 -11.746 -5.269 -0.368 590 HG3 ARG 76 2HG ARG 76 -10.812 -6.689 0.108 591 HD2 ARG 76 1HD ARG 76 -12.802 -8.027 0.229 592 HD3 ARG 76 2HD ARG 76 -13.821 -6.612 -0.036 593 HE ARG 76 HE ARG 76 -12.016 -6.950 -2.189 594 HH11 ARG 76 1HH1 ARG 76 -14.922 -8.283 -0.812 595 HH12 ARG 76 2HH1 ARG 76 -15.521 -8.880 -2.325 596 HH21 ARG 76 1HH2 ARG 76 -12.792 -7.731 -4.186 597 HH22 ARG 76 2HH2 ARG 76 -14.308 -8.567 -4.243 598 H LYS 77 H LYS 77 -10.657 -5.324 4.753 599 HA LYS 77 HA LYS 77 -12.641 -3.511 5.632 600 HB2 LYS 77 1HB LYS 77 -11.938 -5.457 6.955 601 HB3 LYS 77 2HB LYS 77 -10.345 -4.743 7.169 602 HG2 LYS 77 1HG LYS 77 -12.710 -3.171 8.035 603 HG3 LYS 77 2HG LYS 77 -12.212 -4.551 9.016 604 HD2 LYS 77 1HD LYS 77 -9.914 -3.590 9.081 605 HD3 LYS 77 2HD LYS 77 -10.536 -2.163 8.250 606 HE2 LYS 77 1HE LYS 77 -11.977 -1.639 10.079 607 HE3 LYS 77 2HE LYS 77 -11.635 -3.180 10.864 608 HZ1 LYS 77 3HZ LYS 77 -10.184 -1.923 12.011 609 HZ2 LYS 77 1HZ LYS 77 -10.065 -0.738 10.808 610 HZ3 LYS 77 2HZ LYS 77 -9.184 -2.175 10.669 611 H ARG 78 H ARG 78 -9.110 -3.297 5.447 612 HA ARG 78 HA ARG 78 -9.044 -0.649 6.567 613 HB2 ARG 78 1HB ARG 78 -6.937 -2.329 5.202 614 HB3 ARG 78 2HB ARG 78 -6.628 -0.733 5.875 615 HG2 ARG 78 1HG ARG 78 -7.824 -2.857 7.596 616 HG3 ARG 78 2HG ARG 78 -6.092 -2.864 7.260 617 HD2 ARG 78 1HD ARG 78 -5.861 -0.644 8.170 618 HD3 ARG 78 2HD ARG 78 -7.606 -0.508 8.375 619 HE ARG 78 HE ARG 78 -7.051 -2.655 9.869 620 HH11 ARG 78 1HH1 ARG 78 -5.546 0.480 9.686 621 HH12 ARG 78 2HH1 ARG 78 -5.045 0.480 11.345 622 HH21 ARG 78 1HH2 ARG 78 -6.397 -2.666 12.054 623 HH22 ARG 78 2HH2 ARG 78 -5.528 -1.310 12.690 624 H ALA 79 H ALA 79 -8.916 -2.075 3.350 625 HA ALA 79 HA ALA 79 -8.091 -0.011 1.775 626 HB1 ALA 79 3HB ALA 79 -10.067 -0.930 0.219 627 HB2 ALA 79 1HB ALA 79 -8.558 -1.804 0.478 628 HB3 ALA 79 2HB ALA 79 -9.997 -2.236 1.401 629 H GLU 80 H GLU 80 -11.520 -0.578 2.601 630 HA GLU 80 HA GLU 80 -12.560 1.749 1.539 631 HB2 GLU 80 1HB GLU 80 -14.480 1.405 2.936 632 HB3 GLU 80 2HB GLU 80 -13.877 -0.171 2.442 633 HG2 GLU 80 1HG GLU 80 -12.679 -0.285 4.648 634 HG3 GLU 80 2HG GLU 80 -13.577 1.156 5.119 635 H ILE 81 H ILE 81 -11.162 1.210 4.742 636 HA ILE 81 HA ILE 81 -11.758 3.735 5.828 637 HB ILE 81 HB ILE 81 -9.449 1.900 6.478 638 HG12 ILE 81 1HG1 ILE 81 -12.148 2.205 7.814 639 HG13 ILE 81 2HG1 ILE 81 -11.697 0.883 6.741 640 HG21 ILE 81 1HG2 ILE 81 -8.813 3.291 8.109 641 HG22 ILE 81 2HG2 ILE 81 -9.739 4.514 7.242 642 HG23 ILE 81 3HG2 ILE 81 -10.474 3.639 8.585 643 HD11 ILE 81 3HD1 ILE 81 -11.256 1.173 9.549 644 HD12 ILE 81 1HD1 ILE 81 -10.975 -0.223 8.510 645 HD13 ILE 81 2HD1 ILE 81 -9.713 0.992 8.715 646 H LEU 82 H LEU 82 -9.036 2.576 3.911 647 HA LEU 82 HA LEU 82 -7.466 4.933 4.182 648 HB2 LEU 82 1HB LEU 82 -7.406 2.808 2.045 649 HB3 LEU 82 2HB LEU 82 -6.162 4.025 2.318 650 HG LEU 82 HG LEU 82 -6.914 1.947 4.363 651 HD11 LEU 82 1HD1 LEU 82 -4.825 1.866 2.201 652 HD12 LEU 82 2HD1 LEU 82 -6.124 0.712 2.499 653 HD13 LEU 82 3HD1 LEU 82 -4.780 0.839 3.634 654 HD21 LEU 82 3HD2 LEU 82 -5.308 2.822 5.660 655 HD22 LEU 82 1HD2 LEU 82 -5.520 4.263 4.664 656 HD23 LEU 82 2HD2 LEU 82 -4.228 3.119 4.297 657 H LYS 83 H LYS 83 -9.990 3.910 1.991 658 HA LYS 83 HA LYS 83 -9.567 5.853 -0.020 659 HB2 LYS 83 1HB LYS 83 -12.070 4.365 0.793 660 HB3 LYS 83 2HB LYS 83 -11.933 5.355 -0.654 661 HG2 LYS 83 1HG LYS 83 -10.237 3.892 -1.548 662 HG3 LYS 83 2HG LYS 83 -10.237 2.939 -0.062 663 HD2 LYS 83 1HD LYS 83 -12.443 2.153 -0.469 664 HD3 LYS 83 2HD LYS 83 -12.680 3.305 -1.784 665 HE2 LYS 83 1HE LYS 83 -10.689 2.117 -2.899 666 HE3 LYS 83 2HE LYS 83 -10.980 0.835 -1.726 667 HZ1 LYS 83 3HZ LYS 83 -12.339 1.350 -4.134 668 HZ2 LYS 83 1HZ LYS 83 -13.435 1.496 -2.853 669 HZ3 LYS 83 2HZ LYS 83 -12.555 0.066 -3.055 670 H LYS 84 H LYS 84 -11.322 5.878 3.015 671 HA LYS 84 HA LYS 84 -12.780 8.262 2.586 672 HB2 LYS 84 1HB LYS 84 -13.256 6.571 4.368 673 HB3 LYS 84 2HB LYS 84 -11.830 7.138 5.226 674 HG2 LYS 84 1HG LYS 84 -13.654 8.206 6.243 675 HG3 LYS 84 2HG LYS 84 -12.902 9.431 5.218 676 HD2 LYS 84 1HD LYS 84 -15.255 9.598 4.902 677 HD3 LYS 84 2HD LYS 84 -14.589 8.846 3.452 678 HE2 LYS 84 1HE LYS 84 -15.462 6.770 3.971 679 HE3 LYS 84 2HE LYS 84 -15.571 7.132 5.692 680 HZ1 LYS 84 3HZ LYS 84 -17.445 7.731 3.549 681 HZ2 LYS 84 1HZ LYS 84 -17.265 8.923 4.736 682 HZ3 LYS 84 2HZ LYS 84 -17.738 7.360 5.174 683 H GLU 85 H GLU 85 -9.776 7.681 4.421 684 HA GLU 85 HA GLU 85 -9.252 10.365 5.025 685 HB2 GLU 85 1HB GLU 85 -6.904 9.604 5.385 686 HB3 GLU 85 2HB GLU 85 -8.104 8.622 6.214 687 HG2 GLU 85 1HG GLU 85 -7.959 6.976 4.366 688 HG3 GLU 85 2HG GLU 85 -6.653 7.934 3.670 689 H ARG 86 H ARG 86 -8.319 8.379 2.257 690 HA ARG 86 HA ARG 86 -6.450 9.787 0.955 691 HB2 ARG 86 1HB ARG 86 -7.532 7.801 0.011 692 HB3 ARG 86 2HB ARG 86 -8.987 8.736 -0.311 693 HG2 ARG 86 1HG ARG 86 -7.648 10.180 -1.831 694 HG3 ARG 86 2HG ARG 86 -6.288 9.081 -1.592 695 HD2 ARG 86 1HD ARG 86 -7.274 7.383 -2.779 696 HD3 ARG 86 2HD ARG 86 -8.907 7.946 -2.429 697 HE ARG 86 HE ARG 86 -7.974 9.902 -4.004 698 HH11 ARG 86 1HH1 ARG 86 -7.921 6.436 -4.327 699 HH12 ARG 86 2HH1 ARG 86 -7.967 6.465 -6.058 700 HH21 ARG 86 1HH2 ARG 86 -8.035 9.954 -6.283 701 HH22 ARG 86 2HH2 ARG 86 -8.031 8.468 -7.170 702 H SER 87 H SER 87 -9.922 10.542 0.602 703 HA SER 87 HA SER 87 -9.488 12.954 -0.807 704 HB2 SER 87 1HB SER 87 -11.840 13.336 -0.575 705 HB3 SER 87 2HB SER 87 -11.624 11.596 -0.772 706 HG SER 87 HG SER 87 -13.055 12.435 1.003 707 H GLU 88 H GLU 88 -9.447 15.071 -0.142 708 HA GLU 88 HA GLU 88 -9.179 15.498 2.761 709 HB2 GLU 88 1HB GLU 88 -7.852 17.036 0.519 710 HB3 GLU 88 2HB GLU 88 -7.649 17.342 2.239 711 HG2 GLU 88 1HG GLU 88 -6.835 14.897 2.346 712 HG3 GLU 88 2HG GLU 88 -6.642 15.055 0.600 713 H SER 89 H SER 89 -10.210 17.006 -0.282 714 HA SER 89 HA SER 89 -11.625 19.102 1.135 715 HB2 SER 89 1HB SER 89 -10.532 19.736 -0.919 716 HB3 SER 89 2HB SER 89 -11.362 18.461 -1.811 717 HG SER 89 HG SER 89 -13.334 19.561 -1.339 718 H GLY 90 H GLY 90 -12.353 16.155 -0.640 719 HA2 GLY 90 1HA GLY 90 -15.028 16.315 -1.116 720 HA3 GLY 90 2HA GLY 90 -14.247 14.837 -0.574 721 HA PRO 91 HA PRO 91 -17.162 16.863 2.683 722 HB2 PRO 91 1HB PRO 91 -19.544 15.737 2.031 723 HB3 PRO 91 2HB PRO 91 -19.021 17.307 1.409 724 HG2 PRO 91 1HG PRO 91 -18.922 14.620 0.092 725 HG3 PRO 91 2HG PRO 91 -19.400 16.185 -0.592 726 HD2 PRO 91 1HD PRO 91 -16.957 15.098 -1.010 727 HD3 PRO 91 2HD PRO 91 -17.218 16.851 -0.918 728 H SER 92 H SER 92 -17.351 15.787 4.566 729 HA SER 92 HA SER 92 -17.637 12.866 4.510 730 HB2 SER 92 1HB SER 92 -15.901 12.625 6.229 731 HB3 SER 92 2HB SER 92 -15.239 13.367 4.774 732 HG SER 92 HG SER 92 -14.905 15.169 5.834 733 H SER 93 H SER 93 -18.109 12.000 6.752 734 HA SER 93 HA SER 93 -19.507 13.920 8.459 735 HB2 SER 93 1HB SER 93 -21.537 12.598 8.524 736 HB3 SER 93 2HB SER 93 -21.173 13.001 6.845 737 HG SER 93 HG SER 93 -20.335 10.570 8.019 738 H GLY 94 H GLY 94 -19.374 13.460 10.593 739 HA2 GLY 94 1HA GLY 94 -18.801 10.780 11.519 740 HA3 GLY 94 2HA GLY 94 -17.465 11.906 11.701 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -5.190 -8.823 17.052 2 HA2 GLY 1 1HA GLY 1 -6.983 -6.670 16.118 3 HA3 GLY 1 2HA GLY 1 -7.532 -8.155 16.881 4 H SER 2 H SER 2 -5.800 -5.133 17.443 5 HA SER 2 HA SER 2 -6.788 -5.165 20.202 6 HB2 SER 2 1HB SER 2 -3.922 -4.638 19.389 7 HB3 SER 2 2HB SER 2 -4.577 -4.286 20.987 8 HG SER 2 HG SER 2 -3.956 -6.724 19.812 9 H SER 3 H SER 3 -7.076 -3.110 21.136 10 HA SER 3 HA SER 3 -6.922 -0.864 19.233 11 HB2 SER 3 1HB SER 3 -9.253 -1.616 19.582 12 HB3 SER 3 2HB SER 3 -9.070 -1.342 21.314 13 HG SER 3 HG SER 3 -9.539 0.660 20.949 14 H GLY 4 H GLY 4 -6.301 1.132 20.022 15 HA2 GLY 4 1HA GLY 4 -6.123 1.981 22.637 16 HA3 GLY 4 2HA GLY 4 -4.635 1.092 22.342 17 H SER 5 H SER 5 -3.853 1.744 19.896 18 HA SER 5 HA SER 5 -3.380 4.627 20.115 19 HB2 SER 5 1HB SER 5 -1.896 2.430 18.664 20 HB3 SER 5 2HB SER 5 -1.513 4.140 18.470 21 HG SER 5 HG SER 5 -1.505 3.937 20.976 22 H SER 6 H SER 6 -4.145 6.035 18.669 23 HA SER 6 HA SER 6 -5.401 4.958 16.230 24 HB2 SER 6 1HB SER 6 -6.180 7.432 17.793 25 HB3 SER 6 2HB SER 6 -6.974 6.840 16.334 26 HG SER 6 HG SER 6 -7.394 6.117 18.872 27 H GLY 7 H GLY 7 -2.697 5.546 16.211 28 HA2 GLY 7 1HA GLY 7 -2.498 8.181 14.921 29 HA3 GLY 7 2HA GLY 7 -1.146 7.229 15.518 30 H ILE 8 H ILE 8 -3.753 7.086 13.096 31 HA ILE 8 HA ILE 8 -2.116 5.366 11.412 32 HB ILE 8 HB ILE 8 -4.905 6.438 10.969 33 HG12 ILE 8 1HG1 ILE 8 -4.261 3.569 11.510 34 HG13 ILE 8 2HG1 ILE 8 -4.312 4.694 12.862 35 HG21 ILE 8 1HG2 ILE 8 -4.678 5.777 8.863 36 HG22 ILE 8 2HG2 ILE 8 -3.051 5.178 9.186 37 HG23 ILE 8 3HG2 ILE 8 -4.444 4.127 9.442 38 HD11 ILE 8 3HD1 ILE 8 -6.580 4.489 10.921 39 HD12 ILE 8 1HD1 ILE 8 -6.430 3.390 12.292 40 HD13 ILE 8 2HD1 ILE 8 -6.579 5.125 12.566 41 H VAL 9 H VAL 9 -1.298 5.919 9.423 42 HA VAL 9 HA VAL 9 -1.630 8.700 8.537 43 HB VAL 9 HB VAL 9 1.065 7.373 8.450 44 HG11 VAL 9 1HG1 VAL 9 1.629 9.216 7.354 45 HG12 VAL 9 2HG1 VAL 9 -0.029 9.806 7.479 46 HG13 VAL 9 3HG1 VAL 9 1.144 10.194 8.737 47 HG21 VAL 9 3HG2 VAL 9 -0.262 8.741 10.733 48 HG22 VAL 9 1HG2 VAL 9 0.885 7.402 10.729 49 HG23 VAL 9 2HG2 VAL 9 1.452 9.049 10.456 50 H LEU 10 H LEU 10 -1.505 9.029 6.328 51 HA LEU 10 HA LEU 10 -2.421 7.117 4.610 52 HB2 LEU 10 1HB LEU 10 -0.874 9.629 4.227 53 HB3 LEU 10 2HB LEU 10 -1.097 8.565 2.839 54 HG LEU 10 HG LEU 10 -3.580 8.720 3.272 55 HD11 LEU 10 1HD1 LEU 10 -3.664 9.458 5.519 56 HD12 LEU 10 2HD1 LEU 10 -4.255 10.792 4.532 57 HD13 LEU 10 3HD1 LEU 10 -2.616 10.836 5.180 58 HD21 LEU 10 3HD2 LEU 10 -3.268 11.408 2.648 59 HD22 LEU 10 1HD2 LEU 10 -3.322 10.058 1.515 60 HD23 LEU 10 2HD2 LEU 10 -1.770 10.650 2.107 61 H LEU 11 H LEU 11 0.774 7.454 5.835 62 HA LEU 11 HA LEU 11 1.971 5.792 3.777 63 HB2 LEU 11 1HB LEU 11 3.021 7.775 5.164 64 HB3 LEU 11 2HB LEU 11 3.375 6.483 6.311 65 HG LEU 11 HG LEU 11 5.248 7.067 4.760 66 HD11 LEU 11 1HD1 LEU 11 5.869 5.032 5.386 67 HD12 LEU 11 2HD1 LEU 11 5.102 4.409 3.926 68 HD13 LEU 11 3HD1 LEU 11 4.197 4.474 5.438 69 HD21 LEU 11 3HD2 LEU 11 3.586 7.351 2.801 70 HD22 LEU 11 1HD2 LEU 11 3.737 5.603 2.630 71 HD23 LEU 11 2HD2 LEU 11 5.164 6.629 2.482 72 H ARG 12 H ARG 12 0.988 5.558 7.154 73 HA ARG 12 HA ARG 12 2.098 3.189 7.941 74 HB2 ARG 12 1HB ARG 12 0.400 4.802 9.128 75 HB3 ARG 12 2HB ARG 12 -0.798 3.665 8.526 76 HG2 ARG 12 1HG ARG 12 0.640 1.860 9.638 77 HG3 ARG 12 2HG ARG 12 1.411 3.198 10.492 78 HD2 ARG 12 1HD ARG 12 -0.713 3.882 11.415 79 HD3 ARG 12 2HD ARG 12 -1.554 2.652 10.473 80 HE ARG 12 HE ARG 12 -0.972 1.105 12.052 81 HH11 ARG 12 1HH1 ARG 12 1.046 3.918 12.426 82 HH12 ARG 12 2HH1 ARG 12 1.776 3.359 13.895 83 HH21 ARG 12 1HH2 ARG 12 -0.018 0.360 13.985 84 HH22 ARG 12 2HH2 ARG 12 1.171 1.335 14.780 85 H GLY 13 H GLY 13 -0.347 3.679 5.536 86 HA2 GLY 13 1HA GLY 13 -1.752 1.382 5.353 87 HA3 GLY 13 2HA GLY 13 -1.105 2.191 3.934 88 H LEU 14 H LEU 14 1.681 1.668 4.929 89 HA LEU 14 HA LEU 14 1.911 -0.984 3.759 90 HB2 LEU 14 1HB LEU 14 4.086 0.908 4.635 91 HB3 LEU 14 2HB LEU 14 4.280 -0.530 3.634 92 HG LEU 14 HG LEU 14 2.644 1.845 2.770 93 HD11 LEU 14 1HD1 LEU 14 4.508 3.005 2.469 94 HD12 LEU 14 2HD1 LEU 14 5.059 1.766 1.343 95 HD13 LEU 14 3HD1 LEU 14 5.489 1.660 3.049 96 HD21 LEU 14 3HD2 LEU 14 3.899 -0.455 1.274 97 HD22 LEU 14 1HD2 LEU 14 3.025 0.891 0.540 98 HD23 LEU 14 2HD2 LEU 14 2.179 -0.234 1.603 99 H GLU 15 H GLU 15 3.373 0.636 6.587 100 HA GLU 15 HA GLU 15 4.397 -1.557 7.868 101 HB2 GLU 15 1HB GLU 15 3.350 1.068 8.804 102 HB3 GLU 15 2HB GLU 15 3.662 -0.163 10.020 103 HG2 GLU 15 1HG GLU 15 5.692 0.752 8.000 104 HG3 GLU 15 2HG GLU 15 5.544 1.415 9.626 105 H CYS 16 H CYS 16 1.076 -0.347 7.996 106 HA CYS 16 HA CYS 16 -0.027 -1.852 9.982 107 HB2 CYS 16 1HB CYS 16 -1.219 -0.185 8.533 108 HB3 CYS 16 2HB CYS 16 -1.333 -1.426 7.290 109 HG CYS 16 HG CYS 16 -3.759 -0.952 8.854 110 H ILE 17 H ILE 17 0.209 -2.885 6.575 111 HA ILE 17 HA ILE 17 -0.637 -5.547 7.129 112 HB ILE 17 HB ILE 17 0.222 -6.026 4.809 113 HG12 ILE 17 1HG1 ILE 17 0.656 -3.039 4.682 114 HG13 ILE 17 2HG1 ILE 17 1.966 -4.190 4.917 115 HG21 ILE 17 1HG2 ILE 17 -1.444 -3.760 4.225 116 HG22 ILE 17 2HG2 ILE 17 -1.831 -5.480 4.163 117 HG23 ILE 17 3HG2 ILE 17 -2.020 -4.587 5.672 118 HD11 ILE 17 3HD1 ILE 17 0.543 -5.109 2.696 119 HD12 ILE 17 1HD1 ILE 17 0.679 -3.362 2.497 120 HD13 ILE 17 2HD1 ILE 17 2.130 -4.341 2.719 121 H ASN 18 H ASN 18 0.544 -7.427 7.303 122 HA ASN 18 HA ASN 18 3.160 -7.182 8.421 123 HB2 ASN 18 1HB ASN 18 1.458 -9.570 7.700 124 HB3 ASN 18 2HB ASN 18 3.055 -9.718 8.426 125 HD21 ASN 18 1HD2 ASN 18 -0.252 -9.123 8.954 126 HD22 ASN 18 2HD2 ASN 18 -0.172 -8.853 10.659 127 H LYS 19 H LYS 19 5.095 -8.164 7.643 128 HA LYS 19 HA LYS 19 5.932 -7.513 5.156 129 HB2 LYS 19 1HB LYS 19 6.782 -9.893 6.812 130 HB3 LYS 19 2HB LYS 19 7.645 -9.344 5.381 131 HG2 LYS 19 1HG LYS 19 7.126 -7.553 7.734 132 HG3 LYS 19 2HG LYS 19 8.551 -8.588 7.617 133 HD2 LYS 19 1HD LYS 19 7.808 -6.664 5.432 134 HD3 LYS 19 2HD LYS 19 8.772 -6.162 6.824 135 HE2 LYS 19 1HE LYS 19 9.486 -8.477 5.032 136 HE3 LYS 19 2HE LYS 19 10.096 -6.839 4.805 137 HZ1 LYS 19 3HZ LYS 19 10.757 -8.798 6.869 138 HZ2 LYS 19 1HZ LYS 19 10.742 -7.169 7.323 139 HZ3 LYS 19 2HZ LYS 19 11.754 -7.689 6.072 140 H HIS 20 H HIS 20 4.119 -10.378 6.044 141 HA HIS 20 HA HIS 20 4.438 -11.994 3.849 142 HB2 HIS 20 1HB HIS 20 3.118 -12.857 5.589 143 HB3 HIS 20 2HB HIS 20 2.052 -11.454 5.598 144 HD1 HIS 20 HD1 HIS 20 2.557 -14.755 3.994 145 HD2 HIS 20 HD2 HIS 20 0.080 -11.450 3.552 146 HE1 HIS 20 HE1 HIS 20 0.682 -15.515 2.500 147 HE2 HIS 20 HE2 HIS 20 -0.759 -13.474 2.178 148 H TYR 21 H TYR 21 1.814 -9.600 4.207 149 HA TYR 21 HA TYR 21 1.054 -9.761 1.474 150 HB2 TYR 21 1HB TYR 21 0.379 -7.891 3.728 151 HB3 TYR 21 2HB TYR 21 -0.177 -7.561 2.092 152 HD1 TYR 21 HD1 TYR 21 -1.017 -10.046 1.008 153 HD2 TYR 21 HD2 TYR 21 -1.347 -8.690 5.026 154 HE1 TYR 21 HE1 TYR 21 -2.931 -11.552 1.352 155 HE2 TYR 21 HE2 TYR 21 -3.262 -10.193 5.382 156 HH TYR 21 HH TYR 21 -4.122 -12.353 4.355 157 H PHE 22 H PHE 22 2.934 -7.402 3.342 158 HA PHE 22 HA PHE 22 3.351 -5.430 1.505 159 HB2 PHE 22 1HB PHE 22 4.248 -5.410 3.811 160 HB3 PHE 22 2HB PHE 22 5.465 -6.588 3.333 161 HD1 PHE 22 HD1 PHE 22 4.197 -3.438 1.786 162 HD2 PHE 22 HD2 PHE 22 7.539 -5.616 3.270 163 HE1 PHE 22 HE1 PHE 22 5.690 -1.606 1.100 164 HE2 PHE 22 HE2 PHE 22 9.038 -3.788 2.587 165 HZ PHE 22 HZ PHE 22 8.114 -1.780 1.502 166 H SER 23 H SER 23 5.029 -8.537 1.694 167 HA SER 23 HA SER 23 6.969 -8.119 -0.251 168 HB2 SER 23 1HB SER 23 6.706 -10.124 1.304 169 HB3 SER 23 2HB SER 23 5.538 -10.749 0.141 170 HG SER 23 HG SER 23 7.104 -11.084 -1.287 171 H LEU 24 H LEU 24 3.584 -9.021 -0.582 172 HA LEU 24 HA LEU 24 3.670 -9.631 -3.347 173 HB2 LEU 24 1HB LEU 24 1.475 -8.907 -1.440 174 HB3 LEU 24 2HB LEU 24 1.154 -9.113 -3.160 175 HG LEU 24 HG LEU 24 2.364 -11.438 -2.712 176 HD11 LEU 24 1HD1 LEU 24 2.670 -10.707 -0.275 177 HD12 LEU 24 2HD1 LEU 24 2.045 -12.328 -0.581 178 HD13 LEU 24 3HD1 LEU 24 0.946 -11.034 -0.102 179 HD21 LEU 24 3HD2 LEU 24 0.006 -10.880 -3.529 180 HD22 LEU 24 1HD2 LEU 24 -0.491 -11.094 -1.850 181 HD23 LEU 24 2HD2 LEU 24 0.245 -12.434 -2.730 182 H PHE 25 H PHE 25 2.773 -6.693 -1.565 183 HA PHE 25 HA PHE 25 1.984 -5.099 -3.683 184 HB2 PHE 25 1HB PHE 25 1.955 -4.588 -1.166 185 HB3 PHE 25 2HB PHE 25 3.611 -4.031 -1.383 186 HD1 PHE 25 HD1 PHE 25 0.508 -3.630 -3.415 187 HD2 PHE 25 HD2 PHE 25 3.678 -1.741 -1.294 188 HE1 PHE 25 HE1 PHE 25 -0.331 -1.430 -4.128 189 HE2 PHE 25 HE2 PHE 25 2.843 0.463 -2.003 190 HZ PHE 25 HZ PHE 25 0.835 0.620 -3.420 191 H LYS 26 H LYS 26 5.252 -5.609 -2.401 192 HA LYS 26 HA LYS 26 6.617 -3.806 -4.031 193 HB2 LYS 26 1HB LYS 26 7.373 -6.299 -2.571 194 HB3 LYS 26 2HB LYS 26 8.520 -5.622 -3.719 195 HG2 LYS 26 1HG LYS 26 8.492 -3.504 -2.510 196 HG3 LYS 26 2HG LYS 26 7.329 -4.173 -1.362 197 HD2 LYS 26 1HD LYS 26 9.990 -5.478 -1.850 198 HD3 LYS 26 2HD LYS 26 9.806 -4.158 -0.693 199 HE2 LYS 26 1HE LYS 26 7.828 -5.635 0.195 200 HE3 LYS 26 2HE LYS 26 8.710 -6.931 -0.609 201 HZ1 LYS 26 3HZ LYS 26 9.325 -5.540 1.827 202 HZ2 LYS 26 1HZ LYS 26 10.644 -5.637 0.772 203 HZ3 LYS 26 2HZ LYS 26 9.862 -7.047 1.279 204 H SER 27 H SER 27 5.521 -7.082 -4.661 205 HA SER 27 HA SER 27 6.952 -7.429 -7.093 206 HB2 SER 27 1HB SER 27 6.062 -9.324 -5.770 207 HB3 SER 27 2HB SER 27 4.421 -8.809 -6.162 208 HG SER 27 HG SER 27 5.062 -9.079 -8.412 209 H LEU 28 H LEU 28 3.795 -6.134 -6.270 210 HA LEU 28 HA LEU 28 2.865 -5.968 -8.969 211 HB2 LEU 28 1HB LEU 28 1.875 -4.398 -6.601 212 HB3 LEU 28 2HB LEU 28 1.001 -4.767 -8.086 213 HG LEU 28 HG LEU 28 1.891 -6.978 -6.273 214 HD11 LEU 28 1HD1 LEU 28 -0.853 -6.009 -5.904 215 HD12 LEU 28 2HD1 LEU 28 0.402 -4.949 -5.261 216 HD13 LEU 28 3HD1 LEU 28 0.305 -6.627 -4.726 217 HD21 LEU 28 3HD2 LEU 28 -0.590 -7.539 -7.301 218 HD22 LEU 28 1HD2 LEU 28 0.949 -8.085 -7.970 219 HD23 LEU 28 2HD2 LEU 28 0.175 -6.634 -8.609 220 H LEU 29 H LEU 29 4.793 -3.975 -6.903 221 HA LEU 29 HA LEU 29 4.560 -1.699 -8.735 222 HB2 LEU 29 1HB LEU 29 5.481 -2.044 -5.925 223 HB3 LEU 29 2HB LEU 29 6.147 -0.715 -6.874 224 HG LEU 29 HG LEU 29 4.319 0.097 -5.543 225 HD11 LEU 29 1HD1 LEU 29 4.494 0.341 -8.316 226 HD12 LEU 29 2HD1 LEU 29 3.668 1.424 -7.198 227 HD13 LEU 29 3HD1 LEU 29 2.778 0.115 -7.974 228 HD21 LEU 29 3HD2 LEU 29 1.986 -0.940 -6.399 229 HD22 LEU 29 1HD2 LEU 29 2.844 -1.507 -4.966 230 HD23 LEU 29 2HD2 LEU 29 3.016 -2.370 -6.495 231 H ALA 30 H ALA 30 6.665 -4.264 -7.837 232 HA ALA 30 HA ALA 30 9.196 -3.548 -8.238 233 HB1 ALA 30 3HB ALA 30 9.647 -5.704 -8.748 234 HB2 ALA 30 1HB ALA 30 7.957 -5.921 -8.293 235 HB3 ALA 30 2HB ALA 30 8.402 -5.786 -9.995 236 H ARG 31 H ARG 31 6.938 -4.078 -10.944 237 HA ARG 31 HA ARG 31 8.713 -3.351 -12.991 238 HB2 ARG 31 1HB ARG 31 6.384 -2.720 -14.126 239 HB3 ARG 31 2HB ARG 31 6.890 -4.387 -13.885 240 HG2 ARG 31 1HG ARG 31 5.356 -3.087 -11.707 241 HG3 ARG 31 2HG ARG 31 4.492 -3.524 -13.182 242 HD2 ARG 31 1HD ARG 31 6.296 -5.546 -11.962 243 HD3 ARG 31 2HD ARG 31 4.762 -5.213 -11.159 244 HE ARG 31 HE ARG 31 5.150 -6.529 -13.706 245 HH11 ARG 31 1HH1 ARG 31 2.925 -4.923 -11.563 246 HH12 ARG 31 2HH1 ARG 31 1.517 -5.634 -12.280 247 HH21 ARG 31 1HH2 ARG 31 3.304 -7.472 -14.658 248 HH22 ARG 31 2HH2 ARG 31 1.734 -7.085 -14.039 249 H ASP 32 H ASP 32 6.203 -1.424 -11.355 250 HA ASP 32 HA ASP 32 6.716 0.982 -12.705 251 HB2 ASP 32 1HB ASP 32 5.406 0.293 -10.097 252 HB3 ASP 32 2HB ASP 32 5.689 1.980 -10.518 253 H LEU 33 H LEU 33 7.627 0.157 -9.353 254 HA LEU 33 HA LEU 33 9.512 2.301 -9.203 255 HB2 LEU 33 1HB LEU 33 9.274 -0.078 -7.374 256 HB3 LEU 33 2HB LEU 33 10.026 1.474 -7.012 257 HG LEU 33 HG LEU 33 7.083 1.156 -7.570 258 HD11 LEU 33 1HD1 LEU 33 6.652 1.005 -5.277 259 HD12 LEU 33 2HD1 LEU 33 8.305 1.438 -4.844 260 HD13 LEU 33 3HD1 LEU 33 7.965 -0.139 -5.554 261 HD21 LEU 33 3HD2 LEU 33 6.968 3.366 -7.354 262 HD22 LEU 33 1HD2 LEU 33 8.730 3.395 -7.438 263 HD23 LEU 33 2HD2 LEU 33 7.923 3.336 -5.871 264 H ASN 34 H ASN 34 9.678 -0.397 -10.951 265 HA ASN 34 HA ASN 34 11.325 -1.798 -11.708 266 HB2 ASN 34 1HB ASN 34 11.889 0.682 -12.433 267 HB3 ASN 34 2HB ASN 34 13.278 0.439 -11.379 268 HD21 ASN 34 1HD2 ASN 34 14.895 0.276 -12.799 269 HD22 ASN 34 2HD2 ASN 34 14.990 -0.905 -14.057 270 H LEU 35 H LEU 35 10.953 -2.222 -9.023 271 HA LEU 35 HA LEU 35 13.298 -2.017 -7.462 272 HB2 LEU 35 1HB LEU 35 11.189 -4.132 -7.146 273 HB3 LEU 35 2HB LEU 35 12.220 -3.428 -5.903 274 HG LEU 35 HG LEU 35 10.047 -1.923 -7.353 275 HD11 LEU 35 1HD1 LEU 35 9.810 -2.740 -4.506 276 HD12 LEU 35 2HD1 LEU 35 9.467 -3.939 -5.754 277 HD13 LEU 35 3HD1 LEU 35 8.554 -2.430 -5.706 278 HD21 LEU 35 3HD2 LEU 35 11.057 -0.152 -6.464 279 HD22 LEU 35 1HD2 LEU 35 12.177 -1.166 -5.554 280 HD23 LEU 35 2HD2 LEU 35 10.594 -0.774 -4.880 281 H GLU 36 H GLU 36 14.297 -4.126 -6.514 282 HA GLU 36 HA GLU 36 15.089 -5.811 -8.797 283 HB2 GLU 36 1HB GLU 36 16.600 -4.639 -6.523 284 HB3 GLU 36 2HB GLU 36 17.079 -6.243 -7.056 285 HG2 GLU 36 1HG GLU 36 16.732 -4.153 -9.127 286 HG3 GLU 36 2HG GLU 36 18.137 -4.041 -8.067 287 H ARG 37 H ARG 37 14.017 -7.677 -8.719 288 HA ARG 37 HA ARG 37 12.623 -8.886 -6.786 289 HB2 ARG 37 1HB ARG 37 14.418 -10.116 -8.860 290 HB3 ARG 37 2HB ARG 37 13.472 -11.120 -7.770 291 HG2 ARG 37 1HG ARG 37 11.430 -9.932 -8.564 292 HG3 ARG 37 2HG ARG 37 12.437 -9.120 -9.764 293 HD2 ARG 37 1HD ARG 37 13.105 -11.343 -10.635 294 HD3 ARG 37 2HD ARG 37 11.984 -12.089 -9.496 295 HE ARG 37 HE ARG 37 10.749 -10.129 -11.191 296 HH11 ARG 37 1HH1 ARG 37 11.733 -13.459 -10.929 297 HH12 ARG 37 2HH1 ARG 37 10.579 -14.027 -12.089 298 HH21 ARG 37 1HH2 ARG 37 9.225 -10.865 -12.719 299 HH22 ARG 37 2HH2 ARG 37 9.153 -12.551 -13.108 300 H ASP 38 H ASP 38 16.142 -9.037 -7.082 301 HA ASP 38 HA ASP 38 16.518 -10.812 -4.889 302 HB2 ASP 38 1HB ASP 38 18.276 -9.116 -6.594 303 HB3 ASP 38 2HB ASP 38 18.917 -9.665 -5.048 304 H ASN 39 H ASN 39 16.660 -7.294 -5.252 305 HA ASN 39 HA ASN 39 17.178 -6.966 -2.404 306 HB2 ASN 39 1HB ASN 39 18.374 -5.553 -4.059 307 HB3 ASN 39 2HB ASN 39 16.831 -4.862 -4.552 308 HD21 ASN 39 1HD2 ASN 39 19.366 -4.818 -2.263 309 HD22 ASN 39 2HD2 ASN 39 18.756 -3.540 -1.273 310 H GLN 40 H GLN 40 14.535 -7.712 -4.026 311 HA GLN 40 HA GLN 40 12.675 -5.722 -3.157 312 HB2 GLN 40 1HB GLN 40 12.500 -8.383 -4.483 313 HB3 GLN 40 2HB GLN 40 11.057 -7.763 -3.691 314 HG2 GLN 40 1HG GLN 40 11.459 -5.631 -5.046 315 HG3 GLN 40 2HG GLN 40 12.563 -6.613 -6.008 316 HE21 GLN 40 1HE2 GLN 40 11.572 -7.017 -7.855 317 HE22 GLN 40 2HE2 GLN 40 9.961 -7.614 -8.030 318 H GLU 41 H GLU 41 14.232 -8.325 -1.637 319 HA GLU 41 HA GLU 41 12.141 -8.661 0.374 320 HB2 GLU 41 1HB GLU 41 13.555 -10.468 1.250 321 HB3 GLU 41 2HB GLU 41 13.213 -10.685 -0.460 322 HG2 GLU 41 1HG GLU 41 15.483 -9.487 -0.808 323 HG3 GLU 41 2HG GLU 41 15.774 -9.933 0.872 324 H GLN 42 H GLN 42 15.636 -7.951 0.304 325 HA GLN 42 HA GLN 42 15.949 -7.266 2.971 326 HB2 GLN 42 1HB GLN 42 17.884 -5.864 2.158 327 HB3 GLN 42 2HB GLN 42 17.893 -7.541 1.629 328 HG2 GLN 42 1HG GLN 42 16.729 -6.632 -0.489 329 HG3 GLN 42 2HG GLN 42 17.337 -5.067 0.050 330 HE21 GLN 42 1HE2 GLN 42 18.147 -8.174 -1.231 331 HE22 GLN 42 2HE2 GLN 42 19.803 -7.831 -1.585 332 H TYR 43 H TYR 43 14.893 -5.274 0.254 333 HA TYR 43 HA TYR 43 14.963 -2.748 1.172 334 HB2 TYR 43 1HB TYR 43 12.973 -4.240 -0.447 335 HB3 TYR 43 2HB TYR 43 12.469 -2.671 0.171 336 HD1 TYR 43 HD1 TYR 43 14.983 -1.140 0.022 337 HD2 TYR 43 HD2 TYR 43 13.288 -3.904 -2.732 338 HE1 TYR 43 HE1 TYR 43 16.177 -0.028 -1.819 339 HE2 TYR 43 HE2 TYR 43 14.477 -2.802 -4.580 340 HH TYR 43 HH TYR 43 16.716 -0.121 -3.985 341 H THR 44 H THR 44 13.402 -1.354 2.254 342 HA THR 44 HA THR 44 11.945 -2.760 4.397 343 HB THR 44 HB THR 44 12.388 -0.750 5.823 344 HG1 THR 44 HG1 THR 44 14.178 0.581 5.086 345 HG21 THR 44 3HG2 THR 44 14.074 -1.928 6.682 346 HG22 THR 44 1HG2 THR 44 15.123 -1.496 5.331 347 HG23 THR 44 2HG2 THR 44 14.074 -2.911 5.217 348 H THR 45 H THR 45 10.016 -1.788 5.162 349 HA THR 45 HA THR 45 8.210 -0.930 3.315 350 HB THR 45 HB THR 45 6.952 0.141 5.251 351 HG1 THR 45 HG1 THR 45 7.937 -0.501 7.339 352 HG21 THR 45 3HG2 THR 45 6.932 -2.336 4.494 353 HG22 THR 45 1HG2 THR 45 6.250 -1.925 6.067 354 HG23 THR 45 2HG2 THR 45 7.865 -2.625 5.962 355 H ILE 46 H ILE 46 10.609 0.987 4.962 356 HA ILE 46 HA ILE 46 9.498 3.534 4.328 357 HB ILE 46 HB ILE 46 12.243 2.663 5.198 358 HG12 ILE 46 1HG1 ILE 46 10.550 2.611 6.928 359 HG13 ILE 46 2HG1 ILE 46 11.624 3.974 7.224 360 HG21 ILE 46 1HG2 ILE 46 12.544 4.567 3.724 361 HG22 ILE 46 2HG2 ILE 46 11.315 5.470 4.607 362 HG23 ILE 46 3HG2 ILE 46 12.832 5.040 5.398 363 HD11 ILE 46 3HD1 ILE 46 9.779 5.185 7.438 364 HD12 ILE 46 1HD1 ILE 46 9.624 5.067 5.686 365 HD13 ILE 46 2HD1 ILE 46 8.772 3.926 6.726 366 H GLN 47 H GLN 47 12.487 2.015 3.104 367 HA GLN 47 HA GLN 47 13.094 3.652 1.043 368 HB2 GLN 47 1HB GLN 47 13.213 0.635 1.085 369 HB3 GLN 47 2HB GLN 47 13.968 1.620 -0.163 370 HG2 GLN 47 1HG GLN 47 14.613 2.220 2.671 371 HG3 GLN 47 2HG GLN 47 15.301 0.769 1.945 372 HE21 GLN 47 1HE2 GLN 47 17.346 1.838 2.309 373 HE22 GLN 47 2HE2 GLN 47 17.918 2.992 1.157 374 H ILE 48 H ILE 48 10.873 0.877 0.766 375 HA ILE 48 HA ILE 48 10.123 1.283 -1.888 376 HB ILE 48 HB ILE 48 8.380 0.162 0.310 377 HG12 ILE 48 1HG1 ILE 48 10.603 -0.933 0.176 378 HG13 ILE 48 2HG1 ILE 48 9.288 -2.014 -0.274 379 HG21 ILE 48 1HG2 ILE 48 8.057 0.469 -2.565 380 HG22 ILE 48 2HG2 ILE 48 7.854 -1.197 -2.026 381 HG23 ILE 48 3HG2 ILE 48 6.863 0.082 -1.325 382 HD11 ILE 48 3HD1 ILE 48 9.800 -1.602 -2.643 383 HD12 ILE 48 1HD1 ILE 48 11.161 -0.596 -2.151 384 HD13 ILE 48 2HD1 ILE 48 11.151 -2.316 -1.764 385 H ALA 49 H ALA 49 8.802 2.639 1.094 386 HA ALA 49 HA ALA 49 6.530 3.871 0.038 387 HB1 ALA 49 3HB ALA 49 7.152 3.596 2.474 388 HB2 ALA 49 1HB ALA 49 8.183 5.013 2.276 389 HB3 ALA 49 2HB ALA 49 6.443 5.147 2.025 390 H ASN 50 H ASN 50 9.630 5.464 0.821 391 HA ASN 50 HA ASN 50 9.203 7.921 -0.256 392 HB2 ASN 50 1HB ASN 50 11.697 6.232 -0.203 393 HB3 ASN 50 2HB ASN 50 11.711 7.872 -0.847 394 HD21 ASN 50 1HD2 ASN 50 12.343 6.111 1.806 395 HD22 ASN 50 2HD2 ASN 50 12.116 7.309 3.030 396 H MET 51 H MET 51 10.927 5.394 -2.095 397 HA MET 51 HA MET 51 11.051 6.462 -4.547 398 HB2 MET 51 1HB MET 51 10.375 3.652 -3.731 399 HB3 MET 51 2HB MET 51 10.505 4.086 -5.429 400 HG2 MET 51 1HG MET 51 12.809 5.067 -4.710 401 HG3 MET 51 2HG MET 51 12.618 3.982 -3.335 402 HE1 MET 51 3HE MET 51 13.824 0.750 -4.525 403 HE2 MET 51 1HE MET 51 13.749 1.998 -3.281 404 HE3 MET 51 2HE MET 51 12.283 1.147 -3.765 405 H MET 52 H MET 52 8.134 5.056 -3.125 406 HA MET 52 HA MET 52 6.526 5.421 -5.453 407 HB2 MET 52 1HB MET 52 5.859 4.873 -2.564 408 HB3 MET 52 2HB MET 52 4.625 5.044 -3.805 409 HG2 MET 52 1HG MET 52 5.818 3.197 -5.053 410 HG3 MET 52 2HG MET 52 6.749 2.937 -3.579 411 HE1 MET 52 3HE MET 52 2.208 2.500 -3.986 412 HE2 MET 52 1HE MET 52 3.250 3.665 -4.802 413 HE3 MET 52 2HE MET 52 3.232 1.981 -5.325 414 H GLU 53 H GLU 53 6.528 7.080 -2.291 415 HA GLU 53 HA GLU 53 4.712 9.027 -2.643 416 HB2 GLU 53 1HB GLU 53 7.370 9.015 -1.297 417 HB3 GLU 53 2HB GLU 53 6.544 10.557 -1.466 418 HG2 GLU 53 1HG GLU 53 5.008 8.259 -0.386 419 HG3 GLU 53 2HG GLU 53 6.213 9.022 0.649 420 H GLU 54 H GLU 54 7.875 8.902 -4.166 421 HA GLU 54 HA GLU 54 7.533 11.506 -5.397 422 HB2 GLU 54 1HB GLU 54 9.706 9.426 -5.685 423 HB3 GLU 54 2HB GLU 54 9.728 11.004 -6.460 424 HG2 GLU 54 1HG GLU 54 9.439 11.889 -4.027 425 HG3 GLU 54 2HG GLU 54 10.063 10.302 -3.585 426 H LYS 55 H LYS 55 7.689 8.113 -6.419 427 HA LYS 55 HA LYS 55 7.464 8.431 -9.154 428 HB2 LYS 55 1HB LYS 55 7.863 6.267 -8.069 429 HB3 LYS 55 2HB LYS 55 6.222 6.272 -7.438 430 HG2 LYS 55 1HG LYS 55 6.167 4.855 -9.299 431 HG3 LYS 55 2HG LYS 55 5.449 6.370 -9.852 432 HD2 LYS 55 1HD LYS 55 7.244 6.890 -11.186 433 HD3 LYS 55 2HD LYS 55 8.381 5.968 -10.199 434 HE2 LYS 55 1HE LYS 55 7.503 3.890 -11.062 435 HE3 LYS 55 2HE LYS 55 6.251 4.753 -11.957 436 HZ1 LYS 55 3HZ LYS 55 8.989 5.550 -12.509 437 HZ2 LYS 55 1HZ LYS 55 7.685 5.344 -13.567 438 HZ3 LYS 55 2HZ LYS 55 8.558 3.999 -13.029 439 H PHE 56 H PHE 56 4.900 8.365 -6.715 440 HA PHE 56 HA PHE 56 3.067 9.463 -8.739 441 HB2 PHE 56 1HB PHE 56 1.963 7.819 -6.510 442 HB3 PHE 56 2HB PHE 56 1.346 8.053 -8.143 443 HD1 PHE 56 HD2 PHE 56 2.265 6.769 -10.014 444 HD2 PHE 56 HD1 PHE 56 3.519 6.081 -6.005 445 HE1 PHE 56 HE2 PHE 56 3.233 4.609 -10.690 446 HE2 PHE 56 HE1 PHE 56 4.489 3.921 -6.674 447 HZ PHE 56 HZ PHE 56 4.345 3.182 -9.019 448 HA PRO 57 HA PRO 57 3.355 12.448 -5.256 449 HB2 PRO 57 1HB PRO 57 3.121 14.639 -6.841 450 HB3 PRO 57 2HB PRO 57 4.663 13.827 -6.547 451 HG2 PRO 57 1HG PRO 57 2.818 13.596 -8.894 452 HG3 PRO 57 2HG PRO 57 4.587 13.723 -8.869 453 HD2 PRO 57 1HD PRO 57 3.299 11.366 -9.209 454 HD3 PRO 57 2HD PRO 57 4.865 11.488 -8.382 455 H ALA 58 H ALA 58 0.992 11.387 -7.342 456 HA ALA 58 HA ALA 58 -1.009 13.353 -6.524 457 HB1 ALA 58 3HB ALA 58 -2.499 12.019 -8.063 458 HB2 ALA 58 1HB ALA 58 -1.129 12.829 -8.826 459 HB3 ALA 58 2HB ALA 58 -1.065 11.094 -8.508 460 H ASP 59 H ASP 59 -0.552 9.820 -6.460 461 HA ASP 59 HA ASP 59 -2.589 9.640 -4.356 462 HB2 ASP 59 1HB ASP 59 -2.238 7.105 -4.820 463 HB3 ASP 59 2HB ASP 59 -3.127 8.072 -5.993 464 H SER 60 H SER 60 0.752 9.710 -4.782 465 HA SER 60 HA SER 60 2.549 9.159 -3.483 466 HB2 SER 60 1HB SER 60 2.384 9.854 -1.200 467 HB3 SER 60 2HB SER 60 1.321 10.911 -2.127 468 HG SER 60 HG SER 60 -0.374 10.071 -1.166 469 H GLY 61 H GLY 61 0.786 6.948 -4.285 470 HA2 GLY 61 1HA GLY 61 1.149 4.646 -3.978 471 HA3 GLY 61 2HA GLY 61 1.812 4.985 -2.386 472 H LEU 62 H LEU 62 -0.596 6.734 -1.840 473 HA LEU 62 HA LEU 62 -2.078 5.068 -0.274 474 HB2 LEU 62 1HB LEU 62 -2.337 7.447 -0.154 475 HB3 LEU 62 2HB LEU 62 -2.983 7.506 -1.793 476 HG LEU 62 HG LEU 62 -4.962 6.213 -0.970 477 HD11 LEU 62 1HD1 LEU 62 -5.286 5.682 1.223 478 HD12 LEU 62 2HD1 LEU 62 -4.243 6.976 1.810 479 HD13 LEU 62 3HD1 LEU 62 -3.533 5.510 1.133 480 HD21 LEU 62 3HD2 LEU 62 -4.777 8.753 -1.182 481 HD22 LEU 62 1HD2 LEU 62 -4.625 8.764 0.575 482 HD23 LEU 62 2HD2 LEU 62 -6.080 8.112 -0.180 483 H GLY 63 H GLY 63 -3.254 6.199 -3.454 484 HA2 GLY 63 1HA GLY 63 -5.388 4.444 -3.682 485 HA3 GLY 63 2HA GLY 63 -4.535 5.151 -5.046 486 H LYS 64 H LYS 64 -2.231 4.043 -5.297 487 HA LYS 64 HA LYS 64 -2.565 1.570 -6.382 488 HB2 LYS 64 1HB LYS 64 -0.522 3.070 -6.508 489 HB3 LYS 64 2HB LYS 64 -0.021 2.374 -4.972 490 HG2 LYS 64 1HG LYS 64 1.142 1.135 -6.552 491 HG3 LYS 64 2HG LYS 64 -0.237 0.109 -6.150 492 HD2 LYS 64 1HD LYS 64 -0.331 -0.014 -8.427 493 HD3 LYS 64 2HD LYS 64 -1.332 1.419 -8.177 494 HE2 LYS 64 1HE LYS 64 1.006 2.639 -8.347 495 HE3 LYS 64 2HE LYS 64 1.435 1.186 -9.248 496 HZ1 LYS 64 3HZ LYS 64 0.621 2.940 -10.702 497 HZ2 LYS 64 1HZ LYS 64 -0.850 2.980 -9.867 498 HZ3 LYS 64 2HZ LYS 64 -0.410 1.600 -10.741 499 H LEU 65 H LEU 65 -1.741 2.302 -3.024 500 HA LEU 65 HA LEU 65 -1.412 -0.421 -2.244 501 HB2 LEU 65 1HB LEU 65 -0.439 1.567 -1.073 502 HB3 LEU 65 2HB LEU 65 -2.058 1.938 -0.485 503 HG LEU 65 HG LEU 65 -0.689 0.834 1.218 504 HD11 LEU 65 1HD1 LEU 65 -2.628 -1.288 0.594 505 HD12 LEU 65 2HD1 LEU 65 -3.277 0.351 0.640 506 HD13 LEU 65 3HD1 LEU 65 -2.441 -0.307 2.046 507 HD21 LEU 65 3HD2 LEU 65 -0.743 -1.630 -0.503 508 HD22 LEU 65 1HD2 LEU 65 0.157 -1.350 0.987 509 HD23 LEU 65 2HD2 LEU 65 0.621 -0.511 -0.493 510 H ILE 66 H ILE 66 -4.076 1.898 -2.077 511 HA ILE 66 HA ILE 66 -5.883 0.540 -0.518 512 HB ILE 66 HB ILE 66 -6.315 2.279 -2.932 513 HG12 ILE 66 1HG1 ILE 66 -7.024 2.766 -0.039 514 HG13 ILE 66 2HG1 ILE 66 -5.453 3.184 -0.715 515 HG21 ILE 66 1HG2 ILE 66 -8.708 2.348 -2.330 516 HG22 ILE 66 2HG2 ILE 66 -8.188 0.755 -2.880 517 HG23 ILE 66 3HG2 ILE 66 -8.426 1.059 -1.159 518 HD11 ILE 66 3HD1 ILE 66 -6.287 4.918 -1.933 519 HD12 ILE 66 1HD1 ILE 66 -7.887 4.193 -2.082 520 HD13 ILE 66 2HD1 ILE 66 -7.395 4.941 -0.561 521 H GLU 67 H GLU 67 -5.605 0.289 -4.067 522 HA GLU 67 HA GLU 67 -7.504 -1.684 -4.474 523 HB2 GLU 67 1HB GLU 67 -4.936 -1.122 -5.958 524 HB3 GLU 67 2HB GLU 67 -6.141 -2.273 -6.518 525 HG2 GLU 67 1HG GLU 67 -7.804 -0.392 -6.483 526 HG3 GLU 67 2HG GLU 67 -6.449 0.697 -6.191 527 H PHE 68 H PHE 68 -4.060 -2.040 -3.718 528 HA PHE 68 HA PHE 68 -3.793 -4.776 -3.948 529 HB2 PHE 68 1HB PHE 68 -1.871 -3.379 -3.523 530 HB3 PHE 68 2HB PHE 68 -2.515 -2.894 -1.957 531 HD1 PHE 68 HD1 PHE 68 -1.532 -5.967 -3.826 532 HD2 PHE 68 HD2 PHE 68 -1.752 -3.968 -0.074 533 HE1 PHE 68 HE1 PHE 68 -0.336 -7.836 -2.763 534 HE2 PHE 68 HE2 PHE 68 -0.557 -5.835 0.994 535 HZ PHE 68 HZ PHE 68 0.155 -7.771 -0.351 536 H CYS 69 H CYS 69 -5.242 -2.903 -1.361 537 HA CYS 69 HA CYS 69 -5.502 -5.126 0.433 538 HB2 CYS 69 1HB CYS 69 -6.495 -2.298 0.400 539 HB3 CYS 69 2HB CYS 69 -7.176 -3.448 1.544 540 HG CYS 69 HG CYS 69 -4.248 -1.869 1.612 541 H GLU 70 H GLU 70 -7.633 -3.429 -1.823 542 HA GLU 70 HA GLU 70 -10.047 -4.628 -1.197 543 HB2 GLU 70 1HB GLU 70 -8.924 -3.615 -3.797 544 HB3 GLU 70 2HB GLU 70 -10.544 -4.293 -3.702 545 HG2 GLU 70 1HG GLU 70 -9.788 -2.150 -1.789 546 HG3 GLU 70 2HG GLU 70 -10.118 -1.714 -3.464 547 H GLU 71 H GLU 71 -7.824 -5.657 -3.794 548 HA GLU 71 HA GLU 71 -9.000 -7.914 -4.677 549 HB2 GLU 71 1HB GLU 71 -6.965 -8.560 -5.524 550 HB3 GLU 71 2HB GLU 71 -6.628 -6.874 -5.158 551 HG2 GLU 71 1HG GLU 71 -5.531 -7.492 -3.104 552 HG3 GLU 71 2HG GLU 71 -5.961 -9.184 -3.348 553 H VAL 72 H VAL 72 -7.146 -7.623 -1.680 554 HA VAL 72 HA VAL 72 -7.644 -10.404 -0.998 555 HB VAL 72 HB VAL 72 -6.411 -8.420 0.880 556 HG11 VAL 72 1HG1 VAL 72 -6.683 -10.508 1.887 557 HG12 VAL 72 2HG1 VAL 72 -6.239 -11.379 0.417 558 HG13 VAL 72 3HG1 VAL 72 -5.006 -10.520 1.341 559 HG21 VAL 72 3HG2 VAL 72 -5.154 -9.618 -1.573 560 HG22 VAL 72 1HG2 VAL 72 -5.177 -7.930 -1.057 561 HG23 VAL 72 2HG2 VAL 72 -4.195 -9.108 -0.184 562 HA PRO 73 HA PRO 73 -11.393 -9.458 1.166 563 HB2 PRO 73 1HB PRO 73 -11.682 -11.866 2.388 564 HB3 PRO 73 2HB PRO 73 -12.028 -11.611 0.674 565 HG2 PRO 73 1HG PRO 73 -9.584 -12.765 1.961 566 HG3 PRO 73 2HG PRO 73 -10.457 -13.319 0.521 567 HD2 PRO 73 1HD PRO 73 -8.176 -11.869 0.374 568 HD3 PRO 73 2HD PRO 73 -9.466 -11.745 -0.840 569 H ALA 74 H ALA 74 -8.428 -10.483 2.661 570 HA ALA 74 HA ALA 74 -9.399 -9.914 5.346 571 HB1 ALA 74 3HB ALA 74 -7.585 -11.717 4.418 572 HB2 ALA 74 1HB ALA 74 -6.535 -10.427 5.005 573 HB3 ALA 74 2HB ALA 74 -7.703 -11.178 6.092 574 H LEU 75 H LEU 75 -8.197 -8.158 2.801 575 HA LEU 75 HA LEU 75 -7.010 -6.139 4.588 576 HB2 LEU 75 1HB LEU 75 -6.543 -6.570 1.641 577 HB3 LEU 75 2HB LEU 75 -5.821 -5.290 2.615 578 HG LEU 75 HG LEU 75 -5.324 -8.250 2.940 579 HD11 LEU 75 1HD1 LEU 75 -3.334 -6.191 2.059 580 HD12 LEU 75 2HD1 LEU 75 -4.379 -7.010 0.898 581 HD13 LEU 75 3HD1 LEU 75 -3.268 -7.947 1.896 582 HD21 LEU 75 3HD2 LEU 75 -3.413 -7.278 4.380 583 HD22 LEU 75 1HD2 LEU 75 -5.033 -7.375 5.069 584 HD23 LEU 75 2HD2 LEU 75 -4.424 -5.834 4.464 585 H ARG 76 H ARG 76 -9.577 -6.862 2.474 586 HA ARG 76 HA ARG 76 -10.267 -4.441 1.350 587 HB2 ARG 76 1HB ARG 76 -11.821 -6.809 2.281 588 HB3 ARG 76 2HB ARG 76 -12.710 -5.352 1.856 589 HG2 ARG 76 1HG ARG 76 -11.727 -5.380 -0.369 590 HG3 ARG 76 2HG ARG 76 -10.791 -6.816 0.055 591 HD2 ARG 76 1HD ARG 76 -12.698 -7.539 -1.179 592 HD3 ARG 76 2HD ARG 76 -12.953 -7.988 0.506 593 HE ARG 76 HE ARG 76 -14.104 -5.452 -0.211 594 HH11 ARG 76 1HH1 ARG 76 -14.592 -8.897 -0.094 595 HH12 ARG 76 2HH1 ARG 76 -16.321 -8.783 -0.062 596 HH21 ARG 76 1HH2 ARG 76 -16.380 -5.288 -0.169 597 HH22 ARG 76 2HH2 ARG 76 -17.336 -6.729 -0.106 598 H LYS 77 H LYS 77 -10.400 -5.413 4.670 599 HA LYS 77 HA LYS 77 -12.285 -3.565 5.638 600 HB2 LYS 77 1HB LYS 77 -11.187 -5.580 6.826 601 HB3 LYS 77 2HB LYS 77 -9.887 -4.461 7.217 602 HG2 LYS 77 1HG LYS 77 -12.717 -3.756 7.865 603 HG3 LYS 77 2HG LYS 77 -11.803 -4.844 8.913 604 HD2 LYS 77 1HD LYS 77 -10.532 -2.284 8.085 605 HD3 LYS 77 2HD LYS 77 -11.812 -2.227 9.298 606 HE2 LYS 77 1HE LYS 77 -9.979 -2.497 10.645 607 HE3 LYS 77 2HE LYS 77 -10.429 -4.182 10.380 608 HZ1 LYS 77 3HZ LYS 77 -8.681 -3.242 8.342 609 HZ2 LYS 77 1HZ LYS 77 -8.504 -4.569 9.377 610 HZ3 LYS 77 2HZ LYS 77 -7.988 -3.036 9.871 611 H ARG 78 H ARG 78 -8.832 -3.300 5.012 612 HA ARG 78 HA ARG 78 -8.604 -0.688 6.188 613 HB2 ARG 78 1HB ARG 78 -6.742 -2.285 4.424 614 HB3 ARG 78 2HB ARG 78 -6.338 -0.714 5.103 615 HG2 ARG 78 1HG ARG 78 -7.060 -3.138 6.735 616 HG3 ARG 78 2HG ARG 78 -5.411 -2.623 6.374 617 HD2 ARG 78 1HD ARG 78 -5.899 -0.454 7.463 618 HD3 ARG 78 2HD ARG 78 -7.493 -1.067 7.902 619 HE ARG 78 HE ARG 78 -5.568 -2.862 8.847 620 HH11 ARG 78 1HH1 ARG 78 -6.654 0.398 9.411 621 HH12 ARG 78 2HH1 ARG 78 -6.192 0.401 11.080 622 HH21 ARG 78 1HH2 ARG 78 -4.955 -2.869 11.044 623 HH22 ARG 78 2HH2 ARG 78 -5.224 -1.456 12.008 624 H ALA 79 H ALA 79 -8.620 -1.959 2.865 625 HA ALA 79 HA ALA 79 -8.234 0.238 1.352 626 HB1 ALA 79 3HB ALA 79 -8.729 -1.345 -0.134 627 HB2 ALA 79 1HB ALA 79 -9.722 -2.228 1.027 628 HB3 ALA 79 2HB ALA 79 -10.420 -0.902 0.096 629 H GLU 80 H GLU 80 -11.540 -0.723 2.303 630 HA GLU 80 HA GLU 80 -12.914 1.491 1.529 631 HB2 GLU 80 1HB GLU 80 -14.614 0.906 3.069 632 HB3 GLU 80 2HB GLU 80 -13.826 -0.603 2.628 633 HG2 GLU 80 1HG GLU 80 -12.493 -0.456 4.713 634 HG3 GLU 80 2HG GLU 80 -13.430 0.966 5.163 635 H ILE 81 H ILE 81 -11.358 1.070 4.705 636 HA ILE 81 HA ILE 81 -11.983 3.548 5.791 637 HB ILE 81 HB ILE 81 -9.459 1.946 6.227 638 HG12 ILE 81 1HG1 ILE 81 -12.055 1.964 7.785 639 HG13 ILE 81 2HG1 ILE 81 -11.564 0.702 6.659 640 HG21 ILE 81 1HG2 ILE 81 -10.634 3.750 8.282 641 HG22 ILE 81 2HG2 ILE 81 -8.960 3.255 8.037 642 HG23 ILE 81 3HG2 ILE 81 -9.688 4.460 6.974 643 HD11 ILE 81 3HD1 ILE 81 -9.421 0.872 8.363 644 HD12 ILE 81 1HD1 ILE 81 -10.804 1.136 9.426 645 HD13 ILE 81 2HD1 ILE 81 -10.716 -0.322 8.437 646 H LEU 82 H LEU 82 -9.086 2.614 3.943 647 HA LEU 82 HA LEU 82 -7.809 5.098 3.992 648 HB2 LEU 82 1HB LEU 82 -7.738 2.965 1.862 649 HB3 LEU 82 2HB LEU 82 -6.602 4.307 1.992 650 HG LEU 82 HG LEU 82 -6.915 2.364 4.249 651 HD11 LEU 82 1HD1 LEU 82 -6.539 1.080 2.150 652 HD12 LEU 82 2HD1 LEU 82 -5.231 0.941 3.324 653 HD13 LEU 82 3HD1 LEU 82 -5.045 1.989 1.918 654 HD21 LEU 82 3HD2 LEU 82 -5.415 4.665 3.844 655 HD22 LEU 82 1HD2 LEU 82 -4.272 3.344 3.600 656 HD23 LEU 82 2HD2 LEU 82 -5.178 3.458 5.110 657 H LYS 83 H LYS 83 -9.700 3.702 1.305 658 HA LYS 83 HA LYS 83 -9.775 5.842 -0.387 659 HB2 LYS 83 1HB LYS 83 -12.124 4.034 0.206 660 HB3 LYS 83 2HB LYS 83 -11.867 4.961 -1.266 661 HG2 LYS 83 1HG LYS 83 -10.315 3.513 -2.077 662 HG3 LYS 83 2HG LYS 83 -9.754 3.041 -0.471 663 HD2 LYS 83 1HD LYS 83 -10.854 1.135 -1.189 664 HD3 LYS 83 2HD LYS 83 -12.104 1.957 -0.251 665 HE2 LYS 83 1HE LYS 83 -11.907 2.571 -3.151 666 HE3 LYS 83 2HE LYS 83 -12.562 1.002 -2.683 667 HZ1 LYS 83 3HZ LYS 83 -14.154 2.984 -2.954 668 HZ2 LYS 83 1HZ LYS 83 -13.582 3.470 -1.437 669 HZ3 LYS 83 2HZ LYS 83 -14.346 1.971 -1.613 670 H LYS 84 H LYS 84 -11.871 5.278 2.411 671 HA LYS 84 HA LYS 84 -13.694 7.305 2.154 672 HB2 LYS 84 1HB LYS 84 -13.585 5.598 3.996 673 HB3 LYS 84 2HB LYS 84 -12.335 6.577 4.753 674 HG2 LYS 84 1HG LYS 84 -14.951 7.828 4.066 675 HG3 LYS 84 2HG LYS 84 -14.824 6.799 5.494 676 HD2 LYS 84 1HD LYS 84 -12.995 8.195 6.333 677 HD3 LYS 84 2HD LYS 84 -13.121 9.222 4.903 678 HE2 LYS 84 1HE LYS 84 -15.418 9.801 5.536 679 HE3 LYS 84 2HE LYS 84 -15.278 8.782 6.968 680 HZ1 LYS 84 3HZ LYS 84 -13.268 10.266 7.498 681 HZ2 LYS 84 1HZ LYS 84 -14.819 10.886 7.764 682 HZ3 LYS 84 2HZ LYS 84 -13.948 11.348 6.390 683 H GLU 85 H GLU 85 -10.454 7.549 3.602 684 HA GLU 85 HA GLU 85 -10.700 10.403 3.942 685 HB2 GLU 85 1HB GLU 85 -8.365 10.271 4.742 686 HB3 GLU 85 2HB GLU 85 -9.426 9.142 5.573 687 HG2 GLU 85 1HG GLU 85 -8.525 7.296 4.460 688 HG3 GLU 85 2HG GLU 85 -7.773 8.299 3.221 689 H ARG 86 H ARG 86 -9.532 8.230 1.532 690 HA ARG 86 HA ARG 86 -7.624 9.746 0.215 691 HB2 ARG 86 1HB ARG 86 -8.192 7.403 -0.340 692 HB3 ARG 86 2HB ARG 86 -9.704 7.952 -1.049 693 HG2 ARG 86 1HG ARG 86 -8.217 9.408 -2.563 694 HG3 ARG 86 2HG ARG 86 -6.910 8.344 -2.039 695 HD2 ARG 86 1HD ARG 86 -7.601 7.220 -3.903 696 HD3 ARG 86 2HD ARG 86 -8.642 6.467 -2.696 697 HE ARG 86 HE ARG 86 -10.441 7.375 -3.762 698 HH11 ARG 86 1HH1 ARG 86 -7.588 9.139 -4.692 699 HH12 ARG 86 2HH1 ARG 86 -8.412 10.110 -5.867 700 HH21 ARG 86 1HH2 ARG 86 -11.537 8.646 -5.306 701 HH22 ARG 86 2HH2 ARG 86 -10.659 9.828 -6.215 702 H SER 87 H SER 87 -11.123 9.629 -0.477 703 HA SER 87 HA SER 87 -10.855 12.268 -1.760 704 HB2 SER 87 1HB SER 87 -11.634 10.135 -3.095 705 HB3 SER 87 2HB SER 87 -13.182 10.466 -2.317 706 HG SER 87 HG SER 87 -11.808 12.553 -3.592 707 H GLU 88 H GLU 88 -12.446 13.833 -1.365 708 HA GLU 88 HA GLU 88 -13.958 13.387 1.115 709 HB2 GLU 88 1HB GLU 88 -13.969 15.842 1.343 710 HB3 GLU 88 2HB GLU 88 -12.338 15.189 1.268 711 HG2 GLU 88 1HG GLU 88 -12.497 15.729 -1.255 712 HG3 GLU 88 2HG GLU 88 -13.831 16.775 -0.774 713 H SER 89 H SER 89 -15.835 12.501 0.304 714 HA SER 89 HA SER 89 -17.743 12.333 -0.997 715 HB2 SER 89 1HB SER 89 -17.785 14.897 0.529 716 HB3 SER 89 2HB SER 89 -19.089 14.597 -0.620 717 HG SER 89 HG SER 89 -19.796 12.964 0.575 718 H GLY 90 H GLY 90 -15.562 13.036 -2.639 719 HA2 GLY 90 1HA GLY 90 -16.403 15.233 -4.337 720 HA3 GLY 90 2HA GLY 90 -14.991 14.212 -4.569 721 HA PRO 91 HA PRO 91 -18.312 13.104 -7.674 722 HB2 PRO 91 1HB PRO 91 -16.758 13.461 -9.871 723 HB3 PRO 91 2HB PRO 91 -17.702 14.765 -9.141 724 HG2 PRO 91 1HG PRO 91 -14.790 14.139 -8.843 725 HG3 PRO 91 2HG PRO 91 -15.579 15.711 -9.066 726 HD2 PRO 91 1HD PRO 91 -14.739 14.832 -6.646 727 HD3 PRO 91 2HD PRO 91 -16.164 15.874 -6.843 728 H SER 92 H SER 92 -15.087 12.142 -6.925 729 HA SER 92 HA SER 92 -14.804 9.953 -8.672 730 HB2 SER 92 1HB SER 92 -13.557 10.707 -6.047 731 HB3 SER 92 2HB SER 92 -13.230 9.126 -6.757 732 HG SER 92 HG SER 92 -12.223 11.537 -7.427 733 H SER 93 H SER 93 -15.634 9.924 -5.200 734 HA SER 93 HA SER 93 -16.332 7.229 -5.059 735 HB2 SER 93 1HB SER 93 -17.541 7.834 -2.988 736 HB3 SER 93 2HB SER 93 -15.949 8.589 -3.061 737 HG SER 93 HG SER 93 -17.001 10.376 -2.752 738 H GLY 94 H GLY 94 -18.472 10.060 -5.439 739 HA2 GLY 94 1HA GLY 94 -20.274 10.022 -7.040 740 HA3 GLY 94 2HA GLY 94 -20.398 8.287 -6.792 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.626 7.696 19.280 2 HA2 GLY 1 1HA GLY 1 -8.793 5.396 18.966 3 HA3 GLY 1 2HA GLY 1 -7.125 5.640 18.468 4 H SER 2 H SER 2 -5.776 4.250 19.368 5 HA SER 2 HA SER 2 -6.507 2.783 21.733 6 HB2 SER 2 1HB SER 2 -5.103 2.031 19.617 7 HB3 SER 2 2HB SER 2 -3.755 2.643 20.574 8 HG SER 2 HG SER 2 -3.867 0.894 21.711 9 H SER 3 H SER 3 -6.613 4.451 23.302 10 HA SER 3 HA SER 3 -5.822 5.705 25.028 11 HB2 SER 3 1HB SER 3 -3.540 3.861 24.453 12 HB3 SER 3 2HB SER 3 -3.281 5.199 25.573 13 HG SER 3 HG SER 3 -4.352 4.125 27.014 14 H GLY 4 H GLY 4 -5.840 6.890 22.472 15 HA2 GLY 4 1HA GLY 4 -5.231 9.030 21.766 16 HA3 GLY 4 2HA GLY 4 -3.923 9.019 22.941 17 H SER 5 H SER 5 -2.359 9.740 21.518 18 HA SER 5 HA SER 5 -0.921 9.709 19.727 19 HB2 SER 5 1HB SER 5 -0.875 6.865 20.744 20 HB3 SER 5 2HB SER 5 0.259 7.465 19.535 21 HG SER 5 HG SER 5 0.548 9.223 21.262 22 H SER 6 H SER 6 -3.352 9.804 18.653 23 HA SER 6 HA SER 6 -3.701 7.607 16.780 24 HB2 SER 6 1HB SER 6 -5.695 8.965 16.029 25 HB3 SER 6 2HB SER 6 -5.733 8.469 17.721 26 HG SER 6 HG SER 6 -4.687 10.973 16.946 27 H GLY 7 H GLY 7 -1.282 8.921 16.424 28 HA2 GLY 7 1HA GLY 7 -1.512 10.899 14.344 29 HA3 GLY 7 2HA GLY 7 -0.028 10.149 14.914 30 H ILE 8 H ILE 8 -2.988 8.828 13.439 31 HA ILE 8 HA ILE 8 -1.497 7.000 11.832 32 HB ILE 8 HB ILE 8 -4.411 7.777 11.678 33 HG12 ILE 8 1HG1 ILE 8 -3.296 5.223 12.807 34 HG13 ILE 8 2HG1 ILE 8 -3.428 6.666 13.806 35 HG21 ILE 8 1HG2 ILE 8 -2.945 5.459 10.426 36 HG22 ILE 8 2HG2 ILE 8 -4.693 5.693 10.413 37 HG23 ILE 8 3HG2 ILE 8 -3.644 6.836 9.575 38 HD11 ILE 8 3HD1 ILE 8 -5.683 5.249 12.408 39 HD12 ILE 8 1HD1 ILE 8 -5.339 5.237 14.137 40 HD13 ILE 8 2HD1 ILE 8 -5.838 6.732 13.347 41 H VAL 9 H VAL 9 -0.705 7.249 9.841 42 HA VAL 9 HA VAL 9 -1.585 9.585 8.271 43 HB VAL 9 HB VAL 9 0.715 9.849 9.214 44 HG11 VAL 9 1HG1 VAL 9 1.651 7.802 7.248 45 HG12 VAL 9 2HG1 VAL 9 2.481 8.463 8.659 46 HG13 VAL 9 3HG1 VAL 9 1.160 7.313 8.869 47 HG21 VAL 9 3HG2 VAL 9 -0.013 10.997 7.158 48 HG22 VAL 9 1HG2 VAL 9 1.713 10.633 7.150 49 HG23 VAL 9 2HG2 VAL 9 0.600 9.644 6.206 50 H LEU 10 H LEU 10 -1.581 9.354 5.995 51 HA LEU 10 HA LEU 10 -2.616 7.013 4.982 52 HB2 LEU 10 1HB LEU 10 -1.288 9.378 3.752 53 HB3 LEU 10 2HB LEU 10 -1.635 7.980 2.737 54 HG LEU 10 HG LEU 10 -4.023 8.184 3.313 55 HD11 LEU 10 1HD1 LEU 10 -3.688 9.270 5.512 56 HD12 LEU 10 2HD1 LEU 10 -4.856 10.107 4.491 57 HD13 LEU 10 3HD1 LEU 10 -3.225 10.752 4.675 58 HD21 LEU 10 3HD2 LEU 10 -3.114 9.256 1.300 59 HD22 LEU 10 1HD2 LEU 10 -2.813 10.725 2.227 60 HD23 LEU 10 2HD2 LEU 10 -4.466 10.163 1.977 61 H LEU 11 H LEU 11 0.723 7.920 5.412 62 HA LEU 11 HA LEU 11 1.894 5.987 3.719 63 HB2 LEU 11 1HB LEU 11 2.883 8.070 4.997 64 HB3 LEU 11 2HB LEU 11 3.255 6.857 6.220 65 HG LEU 11 HG LEU 11 5.146 7.361 4.700 66 HD11 LEU 11 1HD1 LEU 11 4.709 4.608 3.944 67 HD12 LEU 11 2HD1 LEU 11 4.241 4.900 5.618 68 HD13 LEU 11 3HD1 LEU 11 5.872 5.297 5.077 69 HD21 LEU 11 3HD2 LEU 11 5.048 7.177 2.455 70 HD22 LEU 11 1HD2 LEU 11 3.324 7.434 2.716 71 HD23 LEU 11 2HD2 LEU 11 3.949 5.798 2.507 72 H ARG 12 H ARG 12 0.753 5.887 7.032 73 HA ARG 12 HA ARG 12 1.963 3.549 7.918 74 HB2 ARG 12 1HB ARG 12 0.514 5.183 9.235 75 HB3 ARG 12 2HB ARG 12 -0.874 4.321 8.584 76 HG2 ARG 12 1HG ARG 12 -0.467 2.439 9.826 77 HG3 ARG 12 2HG ARG 12 1.262 2.772 9.961 78 HD2 ARG 12 1HD ARG 12 -0.674 4.648 11.231 79 HD3 ARG 12 2HD ARG 12 -0.350 3.101 12.012 80 HE ARG 12 HE ARG 12 2.003 4.608 11.286 81 HH11 ARG 12 1HH1 ARG 12 -0.377 3.950 13.740 82 HH12 ARG 12 2HH1 ARG 12 0.628 4.488 15.045 83 HH21 ARG 12 1HH2 ARG 12 3.337 5.318 12.996 84 HH22 ARG 12 2HH2 ARG 12 2.740 5.266 14.619 85 H GLY 13 H GLY 13 -0.327 3.963 5.440 86 HA2 GLY 13 1HA GLY 13 -1.867 1.669 5.511 87 HA3 GLY 13 2HA GLY 13 -1.335 2.454 4.031 88 H LEU 14 H LEU 14 1.513 1.995 4.698 89 HA LEU 14 HA LEU 14 1.708 -0.636 3.538 90 HB2 LEU 14 1HB LEU 14 3.864 1.274 4.428 91 HB3 LEU 14 2HB LEU 14 4.116 -0.189 3.480 92 HG LEU 14 HG LEU 14 2.526 2.200 2.552 93 HD11 LEU 14 1HD1 LEU 14 4.448 3.183 2.058 94 HD12 LEU 14 2HD1 LEU 14 4.862 1.817 1.021 95 HD13 LEU 14 3HD1 LEU 14 5.347 1.817 2.717 96 HD21 LEU 14 3HD2 LEU 14 2.801 1.089 0.335 97 HD22 LEU 14 1HD2 LEU 14 1.782 0.202 1.469 98 HD23 LEU 14 2HD2 LEU 14 3.441 -0.321 1.179 99 H GLU 15 H GLU 15 2.856 0.903 6.539 100 HA GLU 15 HA GLU 15 3.998 -1.385 7.679 101 HB2 GLU 15 1HB GLU 15 2.970 1.205 8.759 102 HB3 GLU 15 2HB GLU 15 3.378 -0.080 9.886 103 HG2 GLU 15 1HG GLU 15 5.345 0.703 7.791 104 HG3 GLU 15 2HG GLU 15 5.144 1.716 9.220 105 H CYS 16 H CYS 16 0.693 -0.193 7.676 106 HA CYS 16 HA CYS 16 -0.489 -1.633 9.672 107 HB2 CYS 16 1HB CYS 16 -1.431 -0.782 6.962 108 HB3 CYS 16 2HB CYS 16 -2.464 -1.820 7.938 109 HG CYS 16 HG CYS 16 -1.942 1.436 8.164 110 H ILE 17 H ILE 17 -0.142 -2.775 6.309 111 HA ILE 17 HA ILE 17 -1.007 -5.410 6.878 112 HB ILE 17 HB ILE 17 0.045 -5.969 4.656 113 HG12 ILE 17 1HG1 ILE 17 0.516 -2.990 4.484 114 HG13 ILE 17 2HG1 ILE 17 1.791 -4.146 4.852 115 HG21 ILE 17 1HG2 ILE 17 -1.713 -5.040 3.454 116 HG22 ILE 17 2HG2 ILE 17 -2.319 -5.048 5.108 117 HG23 ILE 17 3HG2 ILE 17 -1.706 -3.553 4.402 118 HD11 ILE 17 3HD1 ILE 17 2.125 -4.106 2.642 119 HD12 ILE 17 1HD1 ILE 17 0.760 -5.223 2.597 120 HD13 ILE 17 2HD1 ILE 17 0.503 -3.502 2.303 121 H ASN 18 H ASN 18 0.138 -7.303 7.178 122 HA ASN 18 HA ASN 18 2.618 -7.069 8.558 123 HB2 ASN 18 1HB ASN 18 1.257 -9.572 7.537 124 HB3 ASN 18 2HB ASN 18 2.512 -9.493 8.771 125 HD21 ASN 18 1HD2 ASN 18 -0.783 -9.508 8.169 126 HD22 ASN 18 2HD2 ASN 18 -1.335 -9.064 9.744 127 H LYS 19 H LYS 19 4.669 -7.677 7.947 128 HA LYS 19 HA LYS 19 5.687 -7.122 5.536 129 HB2 LYS 19 1HB LYS 19 6.550 -9.319 7.414 130 HB3 LYS 19 2HB LYS 19 7.494 -8.843 6.008 131 HG2 LYS 19 1HG LYS 19 6.715 -6.988 8.247 132 HG3 LYS 19 2HG LYS 19 8.267 -7.818 8.120 133 HD2 LYS 19 1HD LYS 19 8.646 -6.703 5.949 134 HD3 LYS 19 2HD LYS 19 7.131 -5.825 6.159 135 HE2 LYS 19 1HE LYS 19 9.341 -5.711 8.190 136 HE3 LYS 19 2HE LYS 19 9.288 -4.622 6.805 137 HZ1 LYS 19 3HZ LYS 19 6.835 -4.813 8.338 138 HZ2 LYS 19 1HZ LYS 19 7.598 -3.454 7.679 139 HZ3 LYS 19 2HZ LYS 19 8.136 -4.098 9.149 140 H HIS 20 H HIS 20 3.997 -10.069 6.364 141 HA HIS 20 HA HIS 20 4.688 -11.693 4.221 142 HB2 HIS 20 1HB HIS 20 3.422 -12.702 5.928 143 HB3 HIS 20 2HB HIS 20 2.176 -11.459 5.861 144 HD1 HIS 20 HD1 HIS 20 3.328 -14.579 4.139 145 HD2 HIS 20 HD2 HIS 20 0.195 -11.857 3.938 146 HE1 HIS 20 HE1 HIS 20 1.615 -15.635 2.632 147 HE2 HIS 20 HE2 HIS 20 -0.233 -13.933 2.456 148 H TYR 21 H TYR 21 1.833 -9.563 4.455 149 HA TYR 21 HA TYR 21 1.101 -9.889 1.737 150 HB2 TYR 21 1HB TYR 21 0.293 -8.037 3.942 151 HB3 TYR 21 2HB TYR 21 -0.198 -7.665 2.294 152 HD1 TYR 21 HD1 TYR 21 -1.042 -10.003 1.048 153 HD2 TYR 21 HD2 TYR 21 -1.363 -9.039 5.180 154 HE1 TYR 21 HE1 TYR 21 -2.935 -11.557 1.258 155 HE2 TYR 21 HE2 TYR 21 -3.256 -10.593 5.402 156 HH TYR 21 HH TYR 21 -4.321 -12.357 4.368 157 H PHE 22 H PHE 22 2.905 -7.384 3.471 158 HA PHE 22 HA PHE 22 3.189 -5.452 1.569 159 HB2 PHE 22 1HB PHE 22 4.149 -5.337 3.849 160 HB3 PHE 22 2HB PHE 22 5.406 -6.469 3.359 161 HD1 PHE 22 HD1 PHE 22 3.960 -3.473 1.678 162 HD2 PHE 22 HD2 PHE 22 7.412 -5.349 3.313 163 HE1 PHE 22 HE1 PHE 22 5.344 -1.593 0.902 164 HE2 PHE 22 HE2 PHE 22 8.802 -3.472 2.540 165 HZ PHE 22 HZ PHE 22 7.768 -1.590 1.334 166 H SER 23 H SER 23 4.926 -8.515 1.762 167 HA SER 23 HA SER 23 6.826 -8.081 -0.229 168 HB2 SER 23 1HB SER 23 6.643 -10.062 1.371 169 HB3 SER 23 2HB SER 23 5.469 -10.737 0.242 170 HG SER 23 HG SER 23 8.163 -10.044 -0.331 171 H LEU 24 H LEU 24 3.476 -9.168 -0.468 172 HA LEU 24 HA LEU 24 3.523 -9.774 -3.231 173 HB2 LEU 24 1HB LEU 24 1.330 -9.130 -1.288 174 HB3 LEU 24 2HB LEU 24 0.993 -9.403 -2.996 175 HG LEU 24 HG LEU 24 2.346 -11.643 -2.495 176 HD11 LEU 24 1HD1 LEU 24 2.403 -12.348 -0.361 177 HD12 LEU 24 2HD1 LEU 24 0.869 -11.580 0.048 178 HD13 LEU 24 3HD1 LEU 24 2.350 -10.623 0.003 179 HD21 LEU 24 3HD2 LEU 24 -0.561 -11.140 -1.870 180 HD22 LEU 24 1HD2 LEU 24 0.159 -12.731 -2.112 181 HD23 LEU 24 2HD2 LEU 24 0.128 -11.568 -3.437 182 H PHE 25 H PHE 25 2.629 -6.856 -1.432 183 HA PHE 25 HA PHE 25 1.681 -5.322 -3.551 184 HB2 PHE 25 1HB PHE 25 1.551 -4.729 -1.116 185 HB3 PHE 25 2HB PHE 25 3.251 -4.280 -1.187 186 HD1 PHE 25 HD1 PHE 25 0.546 -3.666 -3.660 187 HD2 PHE 25 HD2 PHE 25 3.271 -1.987 -0.854 188 HE1 PHE 25 HE1 PHE 25 -0.087 -1.407 -4.401 189 HE2 PHE 25 HE2 PHE 25 2.642 0.274 -1.591 190 HZ PHE 25 HZ PHE 25 0.959 0.566 -3.366 191 H LYS 26 H LYS 26 4.986 -5.704 -2.334 192 HA LYS 26 HA LYS 26 6.219 -3.838 -4.030 193 HB2 LYS 26 1HB LYS 26 7.157 -6.211 -2.473 194 HB3 LYS 26 2HB LYS 26 8.248 -5.485 -3.645 195 HG2 LYS 26 1HG LYS 26 8.059 -3.338 -2.508 196 HG3 LYS 26 2HG LYS 26 6.940 -4.049 -1.342 197 HD2 LYS 26 1HD LYS 26 9.703 -5.150 -1.774 198 HD3 LYS 26 2HD LYS 26 9.390 -3.830 -0.644 199 HE2 LYS 26 1HE LYS 26 8.136 -5.167 0.769 200 HE3 LYS 26 2HE LYS 26 7.765 -6.334 -0.499 201 HZ1 LYS 26 3HZ LYS 26 10.544 -6.266 -0.118 202 HZ2 LYS 26 1HZ LYS 26 9.476 -7.549 0.156 203 HZ3 LYS 26 2HZ LYS 26 9.810 -6.448 1.394 204 H SER 27 H SER 27 4.964 -6.979 -4.641 205 HA SER 27 HA SER 27 6.554 -7.592 -6.928 206 HB2 SER 27 1HB SER 27 5.350 -9.315 -5.600 207 HB3 SER 27 2HB SER 27 3.820 -8.661 -6.184 208 HG SER 27 HG SER 27 4.089 -9.770 -7.936 209 H LEU 28 H LEU 28 3.307 -6.234 -6.475 210 HA LEU 28 HA LEU 28 2.735 -5.967 -9.239 211 HB2 LEU 28 1HB LEU 28 1.569 -4.314 -7.013 212 HB3 LEU 28 2HB LEU 28 0.842 -4.690 -8.573 213 HG LEU 28 HG LEU 28 1.438 -6.862 -6.595 214 HD11 LEU 28 1HD1 LEU 28 -0.652 -4.784 -6.443 215 HD12 LEU 28 2HD1 LEU 28 0.080 -5.758 -5.169 216 HD13 LEU 28 3HD1 LEU 28 -1.179 -6.449 -6.193 217 HD21 LEU 28 3HD2 LEU 28 -0.004 -6.561 -9.132 218 HD22 LEU 28 1HD2 LEU 28 -0.868 -7.472 -7.893 219 HD23 LEU 28 2HD2 LEU 28 0.738 -7.988 -8.407 220 H LEU 29 H LEU 29 4.438 -3.997 -6.934 221 HA LEU 29 HA LEU 29 4.481 -1.691 -8.707 222 HB2 LEU 29 1HB LEU 29 5.304 -2.252 -5.912 223 HB3 LEU 29 2HB LEU 29 6.153 -0.968 -6.771 224 HG LEU 29 HG LEU 29 4.425 0.057 -5.514 225 HD11 LEU 29 1HD1 LEU 29 4.703 0.478 -8.129 226 HD12 LEU 29 2HD1 LEU 29 3.526 1.347 -7.146 227 HD13 LEU 29 3HD1 LEU 29 3.016 -0.035 -8.115 228 HD21 LEU 29 3HD2 LEU 29 3.092 -2.351 -5.802 229 HD22 LEU 29 1HD2 LEU 29 2.107 -1.206 -6.713 230 HD23 LEU 29 2HD2 LEU 29 2.475 -0.898 -5.016 231 H ALA 30 H ALA 30 6.490 -4.371 -7.790 232 HA ALA 30 HA ALA 30 9.035 -3.696 -8.275 233 HB1 ALA 30 3HB ALA 30 7.698 -6.099 -9.513 234 HB2 ALA 30 1HB ALA 30 9.424 -5.908 -9.202 235 HB3 ALA 30 2HB ALA 30 8.289 -5.993 -7.855 236 H ARG 31 H ARG 31 6.631 -4.263 -10.829 237 HA ARG 31 HA ARG 31 8.349 -3.812 -13.007 238 HB2 ARG 31 1HB ARG 31 6.006 -3.103 -14.069 239 HB3 ARG 31 2HB ARG 31 6.424 -4.780 -13.747 240 HG2 ARG 31 1HG ARG 31 5.087 -3.256 -11.584 241 HG3 ARG 31 2HG ARG 31 4.123 -3.726 -12.984 242 HD2 ARG 31 1HD ARG 31 5.866 -5.767 -11.695 243 HD3 ARG 31 2HD ARG 31 4.367 -5.308 -10.890 244 HE ARG 31 HE ARG 31 4.613 -6.984 -13.149 245 HH11 ARG 31 1HH1 ARG 31 2.612 -4.457 -11.834 246 HH12 ARG 31 2HH1 ARG 31 1.182 -4.981 -12.661 247 HH21 ARG 31 1HH2 ARG 31 2.737 -7.684 -14.242 248 HH22 ARG 31 2HH2 ARG 31 1.254 -6.817 -14.029 249 H ASP 32 H ASP 32 6.023 -1.618 -11.435 250 HA ASP 32 HA ASP 32 6.723 0.650 -12.965 251 HB2 ASP 32 1HB ASP 32 5.266 0.238 -10.373 252 HB3 ASP 32 2HB ASP 32 5.669 1.867 -10.910 253 H LEU 33 H LEU 33 7.429 0.004 -9.526 254 HA LEU 33 HA LEU 33 9.312 2.064 -9.247 255 HB2 LEU 33 1HB LEU 33 8.836 -0.477 -7.719 256 HB3 LEU 33 2HB LEU 33 10.099 0.664 -7.263 257 HG LEU 33 HG LEU 33 7.120 1.117 -7.251 258 HD11 LEU 33 1HD1 LEU 33 8.882 0.115 -5.331 259 HD12 LEU 33 2HD1 LEU 33 7.226 0.669 -5.081 260 HD13 LEU 33 3HD1 LEU 33 8.573 1.786 -4.859 261 HD21 LEU 33 3HD2 LEU 33 7.906 3.173 -7.997 262 HD22 LEU 33 1HD2 LEU 33 9.401 3.050 -7.070 263 HD23 LEU 33 2HD2 LEU 33 7.876 3.369 -6.244 264 H ASN 34 H ASN 34 9.561 -1.067 -10.653 265 HA ASN 34 HA ASN 34 11.249 -2.017 -11.864 266 HB2 ASN 34 1HB ASN 34 11.846 0.500 -12.247 267 HB3 ASN 34 2HB ASN 34 13.148 0.177 -11.106 268 HD21 ASN 34 1HD2 ASN 34 14.859 -1.080 -11.716 269 HD22 ASN 34 2HD2 ASN 34 15.114 -1.607 -13.342 270 H LEU 35 H LEU 35 10.803 -2.355 -8.967 271 HA LEU 35 HA LEU 35 13.206 -2.615 -7.555 272 HB2 LEU 35 1HB LEU 35 10.760 -4.345 -7.245 273 HB3 LEU 35 2HB LEU 35 11.997 -4.023 -6.032 274 HG LEU 35 HG LEU 35 10.126 -1.934 -7.142 275 HD11 LEU 35 1HD1 LEU 35 9.783 -2.757 -4.365 276 HD12 LEU 35 2HD1 LEU 35 9.394 -4.022 -5.529 277 HD13 LEU 35 3HD1 LEU 35 8.580 -2.461 -5.621 278 HD21 LEU 35 3HD2 LEU 35 10.933 -0.529 -5.415 279 HD22 LEU 35 1HD2 LEU 35 12.355 -1.220 -6.198 280 HD23 LEU 35 2HD2 LEU 35 11.806 -1.855 -4.647 281 H GLU 36 H GLU 36 13.837 -4.939 -6.695 282 HA GLU 36 HA GLU 36 15.107 -6.260 -8.830 283 HB2 GLU 36 1HB GLU 36 14.733 -6.829 -5.921 284 HB3 GLU 36 2HB GLU 36 15.352 -8.107 -6.958 285 HG2 GLU 36 1HG GLU 36 16.626 -5.428 -7.105 286 HG3 GLU 36 2HG GLU 36 16.957 -6.447 -5.704 287 H ARG 37 H ARG 37 14.761 -8.306 -9.742 288 HA ARG 37 HA ARG 37 12.070 -8.950 -10.289 289 HB2 ARG 37 1HB ARG 37 12.962 -10.859 -11.515 290 HB3 ARG 37 2HB ARG 37 13.905 -9.415 -11.856 291 HG2 ARG 37 1HG ARG 37 15.597 -10.893 -11.546 292 HG3 ARG 37 2HG ARG 37 15.386 -10.359 -9.877 293 HD2 ARG 37 1HD ARG 37 13.831 -12.302 -9.556 294 HD3 ARG 37 2HD ARG 37 14.314 -12.867 -11.155 295 HE ARG 37 HE ARG 37 16.508 -12.386 -9.349 296 HH11 ARG 37 1HH1 ARG 37 14.173 -14.695 -10.504 297 HH12 ARG 37 2HH1 ARG 37 15.110 -16.075 -10.033 298 HH21 ARG 37 1HH2 ARG 37 17.752 -14.194 -8.723 299 HH22 ARG 37 2HH2 ARG 37 17.145 -15.788 -9.019 300 H ASP 38 H ASP 38 14.442 -10.297 -8.063 301 HA ASP 38 HA ASP 38 12.277 -11.821 -6.789 302 HB2 ASP 38 1HB ASP 38 13.416 -13.533 -7.940 303 HB3 ASP 38 2HB ASP 38 14.994 -12.829 -7.602 304 H ASN 39 H ASN 39 15.378 -10.206 -6.528 305 HA ASN 39 HA ASN 39 15.591 -10.536 -3.687 306 HB2 ASN 39 1HB ASN 39 17.438 -10.033 -5.521 307 HB3 ASN 39 2HB ASN 39 17.048 -8.362 -5.127 308 HD21 ASN 39 1HD2 ASN 39 16.645 -8.344 -2.502 309 HD22 ASN 39 2HD2 ASN 39 18.053 -8.861 -1.646 310 H GLN 40 H GLN 40 13.097 -9.623 -4.052 311 HA GLN 40 HA GLN 40 13.028 -6.741 -3.747 312 HB2 GLN 40 1HB GLN 40 11.016 -8.903 -4.085 313 HB3 GLN 40 2HB GLN 40 10.497 -7.440 -3.256 314 HG2 GLN 40 1HG GLN 40 10.716 -6.135 -5.122 315 HG3 GLN 40 2HG GLN 40 11.939 -7.181 -5.843 316 HE21 GLN 40 1HE2 GLN 40 11.310 -8.961 -7.029 317 HE22 GLN 40 2HE2 GLN 40 9.681 -9.209 -7.549 318 H GLU 41 H GLU 41 12.656 -9.621 -1.769 319 HA GLU 41 HA GLU 41 11.531 -8.691 0.525 320 HB2 GLU 41 1HB GLU 41 13.780 -10.632 0.088 321 HB3 GLU 41 2HB GLU 41 13.225 -10.257 1.713 322 HG2 GLU 41 1HG GLU 41 11.277 -11.111 -0.383 323 HG3 GLU 41 2HG GLU 41 12.256 -12.304 0.470 324 H GLN 42 H GLN 42 14.851 -8.177 -0.551 325 HA GLN 42 HA GLN 42 15.994 -7.093 1.703 326 HB2 GLN 42 1HB GLN 42 17.667 -6.316 0.339 327 HB3 GLN 42 2HB GLN 42 16.911 -7.481 -0.739 328 HG2 GLN 42 1HG GLN 42 15.634 -5.661 -1.782 329 HG3 GLN 42 2HG GLN 42 16.448 -4.507 -0.728 330 HE21 GLN 42 1HE2 GLN 42 16.417 -5.605 -3.750 331 HE22 GLN 42 2HE2 GLN 42 18.075 -5.396 -4.188 332 H TYR 43 H TYR 43 13.905 -5.503 -0.662 333 HA TYR 43 HA TYR 43 14.144 -2.886 0.326 334 HB2 TYR 43 1HB TYR 43 11.955 -4.277 -1.211 335 HB3 TYR 43 2HB TYR 43 11.866 -2.572 -0.783 336 HD1 TYR 43 HD2 TYR 43 13.627 -5.072 -2.822 337 HD2 TYR 43 HD1 TYR 43 13.230 -0.936 -1.904 338 HE1 TYR 43 HE2 TYR 43 14.934 -4.507 -4.827 339 HE2 TYR 43 HE1 TYR 43 14.535 -0.360 -3.909 340 HH TYR 43 HH TYR 43 16.469 -2.281 -5.458 341 H THR 44 H THR 44 13.033 -1.733 1.847 342 HA THR 44 HA THR 44 11.423 -3.317 3.728 343 HB THR 44 HB THR 44 11.928 -1.622 5.404 344 HG1 THR 44 HG1 THR 44 12.187 0.043 3.578 345 HG21 THR 44 3HG2 THR 44 13.925 -2.534 5.878 346 HG22 THR 44 1HG2 THR 44 14.649 -1.953 4.380 347 HG23 THR 44 2HG2 THR 44 13.707 -3.445 4.385 348 H THR 45 H THR 45 10.004 -1.529 5.074 349 HA THR 45 HA THR 45 7.930 -0.815 3.240 350 HB THR 45 HB THR 45 6.883 0.229 5.329 351 HG1 THR 45 HG1 THR 45 8.780 -1.258 6.781 352 HG21 THR 45 3HG2 THR 45 6.112 -1.857 6.100 353 HG22 THR 45 1HG2 THR 45 7.620 -2.666 5.679 354 HG23 THR 45 2HG2 THR 45 6.523 -2.128 4.408 355 H ILE 46 H ILE 46 10.547 0.871 4.792 356 HA ILE 46 HA ILE 46 9.523 3.506 4.354 357 HB ILE 46 HB ILE 46 12.292 2.506 5.007 358 HG12 ILE 46 1HG1 ILE 46 10.044 3.743 6.580 359 HG13 ILE 46 2HG1 ILE 46 10.899 2.236 6.888 360 HG21 ILE 46 1HG2 ILE 46 11.366 5.374 4.921 361 HG22 ILE 46 2HG2 ILE 46 12.978 4.789 5.333 362 HG23 ILE 46 3HG2 ILE 46 12.367 4.607 3.688 363 HD11 ILE 46 3HD1 ILE 46 11.616 5.007 7.595 364 HD12 ILE 46 1HD1 ILE 46 11.877 3.502 8.475 365 HD13 ILE 46 2HD1 ILE 46 12.937 3.935 7.135 366 H GLN 47 H GLN 47 12.470 2.035 2.992 367 HA GLN 47 HA GLN 47 13.088 3.671 0.990 368 HB2 GLN 47 1HB GLN 47 12.943 0.661 0.851 369 HB3 GLN 47 2HB GLN 47 13.699 1.643 -0.398 370 HG2 GLN 47 1HG GLN 47 15.262 2.534 1.268 371 HG3 GLN 47 2HG GLN 47 14.523 1.504 2.492 372 HE21 GLN 47 1HE2 GLN 47 15.446 -0.383 2.830 373 HE22 GLN 47 2HE2 GLN 47 16.490 -1.217 1.735 374 H ILE 48 H ILE 48 10.683 1.073 0.536 375 HA ILE 48 HA ILE 48 9.857 1.771 -2.020 376 HB ILE 48 HB ILE 48 8.141 0.587 0.166 377 HG12 ILE 48 1HG1 ILE 48 10.297 -0.621 -0.321 378 HG13 ILE 48 2HG1 ILE 48 8.842 -1.569 -0.611 379 HG21 ILE 48 1HG2 ILE 48 6.736 -0.253 -1.574 380 HG22 ILE 48 2HG2 ILE 48 6.932 1.481 -1.826 381 HG23 ILE 48 3HG2 ILE 48 7.835 0.339 -2.820 382 HD11 ILE 48 3HD1 ILE 48 10.369 -0.122 -2.759 383 HD12 ILE 48 1HD1 ILE 48 10.592 -1.821 -2.347 384 HD13 ILE 48 2HD1 ILE 48 9.040 -1.261 -2.971 385 H ALA 49 H ALA 49 8.648 2.901 1.114 386 HA ALA 49 HA ALA 49 6.473 4.394 0.275 387 HB1 ALA 49 3HB ALA 49 6.360 4.958 2.425 388 HB2 ALA 49 1HB ALA 49 7.830 4.013 2.662 389 HB3 ALA 49 2HB ALA 49 7.935 5.750 2.375 390 H ASN 50 H ASN 50 9.869 5.408 0.545 391 HA ASN 50 HA ASN 50 9.479 8.072 -0.266 392 HB2 ASN 50 1HB ASN 50 11.842 6.231 -0.175 393 HB3 ASN 50 2HB ASN 50 11.990 7.793 -0.976 394 HD21 ASN 50 1HD2 ASN 50 12.046 6.142 1.958 395 HD22 ASN 50 2HD2 ASN 50 12.122 7.509 3.013 396 H MET 51 H MET 51 10.946 5.437 -2.178 397 HA MET 51 HA MET 51 11.108 6.564 -4.619 398 HB2 MET 51 1HB MET 51 10.334 3.784 -3.804 399 HB3 MET 51 2HB MET 51 10.365 4.222 -5.507 400 HG2 MET 51 1HG MET 51 12.756 5.089 -4.955 401 HG3 MET 51 2HG MET 51 12.612 4.022 -3.561 402 HE1 MET 51 3HE MET 51 11.806 1.428 -3.881 403 HE2 MET 51 1HE MET 51 12.970 0.546 -4.872 404 HE3 MET 51 2HE MET 51 13.536 1.694 -3.658 405 H MET 52 H MET 52 8.149 5.357 -3.117 406 HA MET 52 HA MET 52 6.510 5.832 -5.413 407 HB2 MET 52 1HB MET 52 5.825 5.346 -2.511 408 HB3 MET 52 2HB MET 52 4.625 5.487 -3.789 409 HG2 MET 52 1HG MET 52 5.680 3.562 -4.928 410 HG3 MET 52 2HG MET 52 6.769 3.391 -3.554 411 HE1 MET 52 3HE MET 52 3.983 1.986 -5.210 412 HE2 MET 52 1HE MET 52 2.718 1.594 -4.045 413 HE3 MET 52 2HE MET 52 2.893 3.247 -4.633 414 H GLU 53 H GLU 53 7.369 7.644 -2.526 415 HA GLU 53 HA GLU 53 5.445 9.663 -2.663 416 HB2 GLU 53 1HB GLU 53 8.202 9.478 -1.521 417 HB3 GLU 53 2HB GLU 53 7.415 11.049 -1.593 418 HG2 GLU 53 1HG GLU 53 5.820 10.479 -0.055 419 HG3 GLU 53 2HG GLU 53 5.924 8.759 -0.422 420 H GLU 54 H GLU 54 8.506 9.283 -4.356 421 HA GLU 54 HA GLU 54 8.194 11.873 -5.658 422 HB2 GLU 54 1HB GLU 54 10.384 10.911 -6.828 423 HB3 GLU 54 2HB GLU 54 10.427 11.663 -5.239 424 HG2 GLU 54 1HG GLU 54 9.987 8.727 -5.437 425 HG3 GLU 54 2HG GLU 54 11.609 9.374 -5.676 426 H LYS 55 H LYS 55 7.978 8.448 -6.356 427 HA LYS 55 HA LYS 55 7.851 8.653 -9.176 428 HB2 LYS 55 1HB LYS 55 8.353 6.543 -8.047 429 HB3 LYS 55 2HB LYS 55 6.747 6.527 -7.332 430 HG2 LYS 55 1HG LYS 55 6.729 5.022 -9.164 431 HG3 LYS 55 2HG LYS 55 5.807 6.447 -9.646 432 HD2 LYS 55 1HD LYS 55 7.389 7.129 -11.157 433 HD3 LYS 55 2HD LYS 55 8.715 6.371 -10.273 434 HE2 LYS 55 1HE LYS 55 6.590 4.845 -11.770 435 HE3 LYS 55 2HE LYS 55 8.156 5.281 -12.453 436 HZ1 LYS 55 3HZ LYS 55 8.860 4.105 -10.143 437 HZ2 LYS 55 1HZ LYS 55 8.784 3.311 -11.635 438 HZ3 LYS 55 2HZ LYS 55 7.485 3.209 -10.556 439 H PHE 56 H PHE 56 5.236 8.036 -6.824 440 HA PHE 56 HA PHE 56 3.360 9.242 -8.749 441 HB2 PHE 56 1HB PHE 56 2.395 7.490 -6.534 442 HB3 PHE 56 2HB PHE 56 1.731 7.724 -8.148 443 HD1 PHE 56 HD2 PHE 56 2.704 6.552 -10.072 444 HD2 PHE 56 HD1 PHE 56 4.045 5.827 -6.098 445 HE1 PHE 56 HE2 PHE 56 3.786 4.473 -10.819 446 HE2 PHE 56 HE1 PHE 56 5.130 3.747 -6.839 447 HZ PHE 56 HZ PHE 56 5.000 3.067 -9.202 448 HA PRO 57 HA PRO 57 3.498 12.183 -5.220 449 HB2 PRO 57 1HB PRO 57 3.119 14.382 -6.768 450 HB3 PRO 57 2HB PRO 57 4.710 13.660 -6.498 451 HG2 PRO 57 1HG PRO 57 2.863 13.355 -8.835 452 HG3 PRO 57 2HG PRO 57 4.621 13.588 -8.820 453 HD2 PRO 57 1HD PRO 57 3.476 11.162 -9.190 454 HD3 PRO 57 2HD PRO 57 5.039 11.367 -8.371 455 H ALA 58 H ALA 58 1.188 11.054 -7.353 456 HA ALA 58 HA ALA 58 -0.928 12.898 -6.820 457 HB1 ALA 58 3HB ALA 58 -0.772 11.392 -8.826 458 HB2 ALA 58 1HB ALA 58 -1.218 10.055 -7.765 459 HB3 ALA 58 2HB ALA 58 -2.334 11.399 -8.009 460 H ASP 59 H ASP 59 -0.396 9.523 -5.781 461 HA ASP 59 HA ASP 59 -1.973 10.130 -3.364 462 HB2 ASP 59 1HB ASP 59 -1.716 7.337 -4.414 463 HB3 ASP 59 2HB ASP 59 -2.996 8.048 -3.435 464 H SER 60 H SER 60 1.062 9.566 -4.455 465 HA SER 60 HA SER 60 3.025 8.885 -3.523 466 HB2 SER 60 1HB SER 60 1.535 9.379 -0.934 467 HB3 SER 60 2HB SER 60 3.286 9.280 -1.117 468 HG SER 60 HG SER 60 3.319 11.247 -1.885 469 H GLY 61 H GLY 61 1.020 6.856 -4.135 470 HA2 GLY 61 1HA GLY 61 1.446 4.507 -4.028 471 HA3 GLY 61 2HA GLY 61 2.103 4.733 -2.414 472 H LEU 62 H LEU 62 -0.198 6.477 -1.675 473 HA LEU 62 HA LEU 62 -1.753 4.819 -0.238 474 HB2 LEU 62 1HB LEU 62 -2.134 7.088 0.081 475 HB3 LEU 62 2HB LEU 62 -2.415 7.380 -1.633 476 HG LEU 62 HG LEU 62 -4.574 6.102 -1.381 477 HD11 LEU 62 1HD1 LEU 62 -4.677 4.894 0.509 478 HD12 LEU 62 2HD1 LEU 62 -5.241 6.404 1.224 479 HD13 LEU 62 3HD1 LEU 62 -3.546 5.941 1.366 480 HD21 LEU 62 3HD2 LEU 62 -5.479 8.125 -1.287 481 HD22 LEU 62 1HD2 LEU 62 -3.917 8.769 -0.777 482 HD23 LEU 62 2HD2 LEU 62 -5.097 8.258 0.430 483 H GLY 63 H GLY 63 -2.844 6.007 -3.428 484 HA2 GLY 63 1HA GLY 63 -5.022 4.330 -3.730 485 HA3 GLY 63 2HA GLY 63 -4.088 4.986 -5.067 486 H LYS 64 H LYS 64 -1.850 3.782 -5.270 487 HA LYS 64 HA LYS 64 -2.233 1.319 -6.331 488 HB2 LYS 64 1HB LYS 64 -0.093 2.834 -6.168 489 HB3 LYS 64 2HB LYS 64 0.305 1.785 -4.814 490 HG2 LYS 64 1HG LYS 64 1.382 0.773 -6.587 491 HG3 LYS 64 2HG LYS 64 -0.123 -0.143 -6.474 492 HD2 LYS 64 1HD LYS 64 -0.091 0.264 -8.723 493 HD3 LYS 64 2HD LYS 64 -0.953 1.705 -8.177 494 HE2 LYS 64 1HE LYS 64 2.032 1.696 -8.429 495 HE3 LYS 64 2HE LYS 64 1.008 1.975 -9.836 496 HZ1 LYS 64 3HZ LYS 64 -0.088 3.698 -8.199 497 HZ2 LYS 64 1HZ LYS 64 1.275 4.098 -9.120 498 HZ3 LYS 64 2HZ LYS 64 1.450 3.668 -7.495 499 H LEU 65 H LEU 65 -1.603 2.047 -2.939 500 HA LEU 65 HA LEU 65 -1.337 -0.649 -2.093 501 HB2 LEU 65 1HB LEU 65 -0.546 1.384 -0.856 502 HB3 LEU 65 2HB LEU 65 -2.228 1.704 -0.437 503 HG LEU 65 HG LEU 65 -0.819 0.601 1.344 504 HD11 LEU 65 1HD1 LEU 65 -2.953 -1.333 0.926 505 HD12 LEU 65 2HD1 LEU 65 -3.477 0.336 0.704 506 HD13 LEU 65 3HD1 LEU 65 -2.724 -0.157 2.221 507 HD21 LEU 65 3HD2 LEU 65 -1.247 -1.970 -0.102 508 HD22 LEU 65 1HD2 LEU 65 -0.076 -1.561 1.151 509 HD23 LEU 65 2HD2 LEU 65 0.162 -0.986 -0.500 510 H ILE 66 H ILE 66 -4.036 1.662 -1.807 511 HA ILE 66 HA ILE 66 -5.933 0.172 -0.580 512 HB ILE 66 HB ILE 66 -6.226 2.072 -2.892 513 HG12 ILE 66 1HG1 ILE 66 -7.178 2.370 -0.048 514 HG13 ILE 66 2HG1 ILE 66 -5.537 2.790 -0.528 515 HG21 ILE 66 1HG2 ILE 66 -8.644 2.070 -2.499 516 HG22 ILE 66 2HG2 ILE 66 -8.071 0.496 -3.048 517 HG23 ILE 66 3HG2 ILE 66 -8.450 0.750 -1.345 518 HD11 ILE 66 3HD1 ILE 66 -6.305 4.503 -1.965 519 HD12 ILE 66 1HD1 ILE 66 -7.978 3.962 -1.826 520 HD13 ILE 66 2HD1 ILE 66 -7.167 4.688 -0.438 521 H GLU 67 H GLU 67 -5.390 0.159 -4.107 522 HA GLU 67 HA GLU 67 -7.238 -1.743 -4.836 523 HB2 GLU 67 1HB GLU 67 -4.486 -1.222 -5.964 524 HB3 GLU 67 2HB GLU 67 -5.664 -2.277 -6.732 525 HG2 GLU 67 1HG GLU 67 -7.190 -0.436 -7.023 526 HG3 GLU 67 2HG GLU 67 -6.109 0.639 -6.139 527 H PHE 68 H PHE 68 -3.810 -2.363 -4.067 528 HA PHE 68 HA PHE 68 -3.645 -5.045 -4.290 529 HB2 PHE 68 1HB PHE 68 -1.733 -3.796 -3.564 530 HB3 PHE 68 2HB PHE 68 -2.542 -3.309 -2.078 531 HD1 PHE 68 HD1 PHE 68 -2.030 -6.594 -3.775 532 HD2 PHE 68 HD2 PHE 68 -1.528 -4.255 -0.255 533 HE1 PHE 68 HE1 PHE 68 -1.070 -8.544 -2.621 534 HE2 PHE 68 HE2 PHE 68 -0.566 -6.200 0.905 535 HZ PHE 68 HZ PHE 68 -0.336 -8.348 -0.278 536 H CYS 69 H CYS 69 -5.042 -3.327 -1.519 537 HA CYS 69 HA CYS 69 -5.625 -5.589 0.038 538 HB2 CYS 69 1HB CYS 69 -6.971 -2.882 -0.061 539 HB3 CYS 69 2HB CYS 69 -7.280 -4.095 1.176 540 HG CYS 69 HG CYS 69 -4.120 -2.934 0.656 541 H GLU 70 H GLU 70 -7.744 -3.716 -2.133 542 HA GLU 70 HA GLU 70 -10.108 -4.962 -1.945 543 HB2 GLU 70 1HB GLU 70 -8.699 -4.290 -4.533 544 HB3 GLU 70 2HB GLU 70 -10.418 -4.630 -4.391 545 HG2 GLU 70 1HG GLU 70 -10.335 -2.698 -2.623 546 HG3 GLU 70 2HG GLU 70 -8.875 -2.248 -3.503 547 H GLU 71 H GLU 71 -7.547 -6.167 -4.122 548 HA GLU 71 HA GLU 71 -8.700 -8.473 -5.004 549 HB2 GLU 71 1HB GLU 71 -5.809 -8.227 -4.160 550 HB3 GLU 71 2HB GLU 71 -6.466 -9.376 -5.317 551 HG2 GLU 71 1HG GLU 71 -6.407 -6.385 -5.648 552 HG3 GLU 71 2HG GLU 71 -5.318 -7.535 -6.423 553 H VAL 72 H VAL 72 -6.887 -8.071 -1.974 554 HA VAL 72 HA VAL 72 -7.498 -10.776 -1.139 555 HB VAL 72 HB VAL 72 -6.241 -8.608 0.538 556 HG11 VAL 72 1HG1 VAL 72 -5.095 -10.998 1.208 557 HG12 VAL 72 2HG1 VAL 72 -6.438 -10.237 2.065 558 HG13 VAL 72 3HG1 VAL 72 -6.755 -11.472 0.845 559 HG21 VAL 72 3HG2 VAL 72 -4.114 -9.158 -0.285 560 HG22 VAL 72 1HG2 VAL 72 -4.707 -10.610 -1.092 561 HG23 VAL 72 2HG2 VAL 72 -5.122 -9.017 -1.724 562 HA PRO 73 HA PRO 73 -11.362 -9.511 0.694 563 HB2 PRO 73 1HB PRO 73 -11.999 -11.954 1.692 564 HB3 PRO 73 2HB PRO 73 -12.184 -11.537 -0.016 565 HG2 PRO 73 1HG PRO 73 -9.984 -13.052 1.337 566 HG3 PRO 73 2HG PRO 73 -10.798 -13.395 -0.201 567 HD2 PRO 73 1HD PRO 73 -8.369 -12.205 -0.073 568 HD3 PRO 73 2HD PRO 73 -9.542 -11.847 -1.357 569 H ALA 74 H ALA 74 -8.490 -10.260 2.182 570 HA ALA 74 HA ALA 74 -9.630 -10.123 4.888 571 HB1 ALA 74 3HB ALA 74 -8.053 -12.005 4.252 572 HB2 ALA 74 1HB ALA 74 -6.777 -10.787 4.213 573 HB3 ALA 74 2HB ALA 74 -7.651 -11.101 5.713 574 H LEU 75 H LEU 75 -8.253 -8.192 2.547 575 HA LEU 75 HA LEU 75 -7.236 -6.293 4.558 576 HB2 LEU 75 1HB LEU 75 -6.454 -6.642 1.669 577 HB3 LEU 75 2HB LEU 75 -5.908 -5.316 2.693 578 HG LEU 75 HG LEU 75 -5.295 -8.241 3.117 579 HD11 LEU 75 1HD1 LEU 75 -3.314 -6.103 2.442 580 HD12 LEU 75 2HD1 LEU 75 -4.205 -6.940 1.171 581 HD13 LEU 75 3HD1 LEU 75 -3.174 -7.854 2.271 582 HD21 LEU 75 3HD2 LEU 75 -3.622 -7.195 4.754 583 HD22 LEU 75 1HD2 LEU 75 -5.311 -7.292 5.250 584 HD23 LEU 75 2HD2 LEU 75 -4.647 -5.762 4.676 585 H ARG 76 H ARG 76 -9.564 -6.876 2.139 586 HA ARG 76 HA ARG 76 -10.184 -4.493 1.006 587 HB2 ARG 76 1HB ARG 76 -11.838 -6.762 1.985 588 HB3 ARG 76 2HB ARG 76 -12.679 -5.282 1.543 589 HG2 ARG 76 1HG ARG 76 -11.631 -5.377 -0.681 590 HG3 ARG 76 2HG ARG 76 -10.861 -6.899 -0.230 591 HD2 ARG 76 1HD ARG 76 -12.891 -7.270 -1.544 592 HD3 ARG 76 2HD ARG 76 -13.043 -7.929 0.085 593 HE ARG 76 HE ARG 76 -14.092 -5.367 0.159 594 HH11 ARG 76 1HH1 ARG 76 -14.756 -8.375 -1.463 595 HH12 ARG 76 2HH1 ARG 76 -16.460 -8.083 -1.586 596 HH21 ARG 76 1HH2 ARG 76 -16.332 -4.971 0.002 597 HH22 ARG 76 2HH2 ARG 76 -17.355 -6.146 -0.753 598 H LYS 77 H LYS 77 -11.004 -5.493 4.304 599 HA LYS 77 HA LYS 77 -12.567 -3.329 5.059 600 HB2 LYS 77 1HB LYS 77 -12.351 -5.274 6.478 601 HB3 LYS 77 2HB LYS 77 -10.631 -4.974 6.697 602 HG2 LYS 77 1HG LYS 77 -10.995 -3.173 8.112 603 HG3 LYS 77 2HG LYS 77 -12.650 -2.937 7.546 604 HD2 LYS 77 1HD LYS 77 -13.323 -5.019 8.632 605 HD3 LYS 77 2HD LYS 77 -11.664 -5.280 9.175 606 HE2 LYS 77 1HE LYS 77 -13.181 -2.790 9.884 607 HE3 LYS 77 2HE LYS 77 -13.335 -4.265 10.836 608 HZ1 LYS 77 3HZ LYS 77 -10.607 -3.619 10.341 609 HZ2 LYS 77 1HZ LYS 77 -11.397 -3.877 11.815 610 HZ3 LYS 77 2HZ LYS 77 -11.404 -2.340 11.108 611 H ARG 78 H ARG 78 -9.051 -3.657 5.012 612 HA ARG 78 HA ARG 78 -8.541 -1.141 6.253 613 HB2 ARG 78 1HB ARG 78 -6.987 -3.212 6.007 614 HB3 ARG 78 2HB ARG 78 -6.594 -2.525 4.436 615 HG2 ARG 78 1HG ARG 78 -4.925 -1.702 5.810 616 HG3 ARG 78 2HG ARG 78 -6.082 -0.371 5.747 617 HD2 ARG 78 1HD ARG 78 -5.586 -0.516 8.008 618 HD3 ARG 78 2HD ARG 78 -7.079 -1.445 7.873 619 HE ARG 78 HE ARG 78 -4.688 -3.028 7.634 620 HH11 ARG 78 1HH1 ARG 78 -7.018 -1.652 9.824 621 HH12 ARG 78 2HH1 ARG 78 -6.714 -2.807 11.080 622 HH21 ARG 78 1HH2 ARG 78 -4.280 -4.556 9.278 623 HH22 ARG 78 2HH2 ARG 78 -5.156 -4.458 10.768 624 H ALA 79 H ALA 79 -8.708 -2.264 2.907 625 HA ALA 79 HA ALA 79 -7.746 -0.051 1.569 626 HB1 ALA 79 3HB ALA 79 -8.495 -1.071 -0.286 627 HB2 ALA 79 1HB ALA 79 -8.879 -2.397 0.813 628 HB3 ALA 79 2HB ALA 79 -10.132 -1.246 0.346 629 H GLU 80 H GLU 80 -11.226 -0.694 2.051 630 HA GLU 80 HA GLU 80 -12.237 1.716 1.270 631 HB2 GLU 80 1HB GLU 80 -14.150 1.281 2.743 632 HB3 GLU 80 2HB GLU 80 -13.648 -0.175 1.897 633 HG2 GLU 80 1HG GLU 80 -12.345 -0.774 3.979 634 HG3 GLU 80 2HG GLU 80 -13.208 0.538 4.778 635 H ILE 81 H ILE 81 -11.228 0.886 4.585 636 HA ILE 81 HA ILE 81 -11.764 3.258 5.858 637 HB ILE 81 HB ILE 81 -9.392 1.437 6.283 638 HG12 ILE 81 1HG1 ILE 81 -11.934 1.621 7.898 639 HG13 ILE 81 2HG1 ILE 81 -11.765 0.528 6.530 640 HG21 ILE 81 1HG2 ILE 81 -8.613 2.902 7.755 641 HG22 ILE 81 2HG2 ILE 81 -9.950 3.997 7.406 642 HG23 ILE 81 3HG2 ILE 81 -10.119 2.772 8.664 643 HD11 ILE 81 3HD1 ILE 81 -10.051 0.520 9.002 644 HD12 ILE 81 1HD1 ILE 81 -11.365 -0.602 8.647 645 HD13 ILE 81 2HD1 ILE 81 -9.917 -0.592 7.640 646 H LEU 82 H LEU 82 -9.036 2.477 3.776 647 HA LEU 82 HA LEU 82 -7.619 4.907 4.301 648 HB2 LEU 82 1HB LEU 82 -7.363 2.891 2.075 649 HB3 LEU 82 2HB LEU 82 -6.257 4.238 2.338 650 HG LEU 82 HG LEU 82 -6.702 2.216 4.500 651 HD11 LEU 82 1HD1 LEU 82 -6.141 0.704 2.858 652 HD12 LEU 82 2HD1 LEU 82 -4.554 1.161 3.475 653 HD13 LEU 82 3HD1 LEU 82 -5.152 1.866 1.973 654 HD21 LEU 82 3HD2 LEU 82 -4.493 4.099 3.709 655 HD22 LEU 82 1HD2 LEU 82 -4.284 2.824 4.909 656 HD23 LEU 82 2HD2 LEU 82 -5.461 4.108 5.184 657 H LYS 83 H LYS 83 -10.158 3.948 2.165 658 HA LYS 83 HA LYS 83 -9.804 6.138 0.323 659 HB2 LYS 83 1HB LYS 83 -12.259 4.415 0.635 660 HB3 LYS 83 2HB LYS 83 -11.750 5.319 -0.785 661 HG2 LYS 83 1HG LYS 83 -9.702 3.801 -0.807 662 HG3 LYS 83 2HG LYS 83 -10.590 2.793 0.339 663 HD2 LYS 83 1HD LYS 83 -11.972 3.638 -2.156 664 HD3 LYS 83 2HD LYS 83 -10.730 2.389 -2.274 665 HE2 LYS 83 1HE LYS 83 -11.900 1.049 -0.615 666 HE3 LYS 83 2HE LYS 83 -13.114 2.312 -0.426 667 HZ1 LYS 83 3HZ LYS 83 -13.884 0.531 -1.872 668 HZ2 LYS 83 1HZ LYS 83 -12.588 0.797 -2.925 669 HZ3 LYS 83 2HZ LYS 83 -13.770 1.988 -2.722 670 H LYS 84 H LYS 84 -11.947 5.358 3.024 671 HA LYS 84 HA LYS 84 -13.798 7.362 2.900 672 HB2 LYS 84 1HB LYS 84 -13.962 5.740 4.636 673 HB3 LYS 84 2HB LYS 84 -12.394 6.188 5.296 674 HG2 LYS 84 1HG LYS 84 -13.286 8.342 5.992 675 HG3 LYS 84 2HG LYS 84 -14.855 7.925 5.301 676 HD2 LYS 84 1HD LYS 84 -15.097 7.455 7.577 677 HD3 LYS 84 2HD LYS 84 -14.772 5.880 6.851 678 HE2 LYS 84 1HE LYS 84 -12.512 5.916 7.585 679 HE3 LYS 84 2HE LYS 84 -12.621 7.615 8.044 680 HZ1 LYS 84 3HZ LYS 84 -12.744 6.297 10.006 681 HZ2 LYS 84 1HZ LYS 84 -13.964 5.320 9.359 682 HZ3 LYS 84 2HZ LYS 84 -14.286 6.937 9.732 683 H GLU 85 H GLU 85 -10.453 7.607 3.980 684 HA GLU 85 HA GLU 85 -10.743 10.377 4.749 685 HB2 GLU 85 1HB GLU 85 -8.361 8.532 4.572 686 HB3 GLU 85 2HB GLU 85 -8.229 10.223 5.035 687 HG2 GLU 85 1HG GLU 85 -9.733 9.807 6.929 688 HG3 GLU 85 2HG GLU 85 -9.808 8.105 6.477 689 H ARG 86 H ARG 86 -9.166 8.562 2.140 690 HA ARG 86 HA ARG 86 -7.891 10.582 0.792 691 HB2 ARG 86 1HB ARG 86 -7.727 8.243 0.123 692 HB3 ARG 86 2HB ARG 86 -9.409 8.252 -0.391 693 HG2 ARG 86 1HG ARG 86 -8.710 10.108 -2.008 694 HG3 ARG 86 2HG ARG 86 -7.056 9.603 -1.656 695 HD2 ARG 86 1HD ARG 86 -7.335 7.536 -2.644 696 HD3 ARG 86 2HD ARG 86 -9.086 7.558 -2.434 697 HE ARG 86 HE ARG 86 -7.664 8.447 -4.699 698 HH11 ARG 86 1HH1 ARG 86 -10.366 9.310 -2.682 699 HH12 ARG 86 2HH1 ARG 86 -11.210 10.145 -3.944 700 HH21 ARG 86 1HH2 ARG 86 -8.765 9.543 -6.370 701 HH22 ARG 86 2HH2 ARG 86 -10.298 10.276 -6.042 702 H SER 87 H SER 87 -11.308 9.668 0.574 703 HA SER 87 HA SER 87 -11.851 11.840 -1.276 704 HB2 SER 87 1HB SER 87 -12.947 9.535 -1.390 705 HB3 SER 87 2HB SER 87 -13.892 10.029 0.015 706 HG SER 87 HG SER 87 -13.804 11.760 -2.173 707 H GLU 88 H GLU 88 -12.027 13.826 -0.482 708 HA GLU 88 HA GLU 88 -13.562 14.201 2.004 709 HB2 GLU 88 1HB GLU 88 -10.995 15.525 1.153 710 HB3 GLU 88 2HB GLU 88 -12.056 16.243 2.356 711 HG2 GLU 88 1HG GLU 88 -11.865 14.070 3.630 712 HG3 GLU 88 2HG GLU 88 -10.568 13.641 2.515 713 H SER 89 H SER 89 -15.450 14.699 0.896 714 HA SER 89 HA SER 89 -16.848 15.856 -0.541 715 HB2 SER 89 1HB SER 89 -15.584 17.786 1.364 716 HB3 SER 89 2HB SER 89 -16.677 18.405 0.126 717 HG SER 89 HG SER 89 -18.181 17.837 1.475 718 H GLY 90 H GLY 90 -14.593 15.196 -1.981 719 HA2 GLY 90 1HA GLY 90 -13.297 17.409 -3.184 720 HA3 GLY 90 2HA GLY 90 -13.367 15.777 -3.835 721 HA PRO 91 HA PRO 91 -15.841 18.716 -6.517 722 HB2 PRO 91 1HB PRO 91 -14.481 18.211 -8.812 723 HB3 PRO 91 2HB PRO 91 -14.002 19.470 -7.669 724 HG2 PRO 91 1HG PRO 91 -12.913 16.702 -8.005 725 HG3 PRO 91 2HG PRO 91 -12.040 18.223 -7.746 726 HD2 PRO 91 1HD PRO 91 -12.509 16.455 -5.750 727 HD3 PRO 91 2HD PRO 91 -12.432 18.207 -5.475 728 H SER 92 H SER 92 -15.263 15.457 -6.152 729 HA SER 92 HA SER 92 -16.104 14.061 -8.283 730 HB2 SER 92 1HB SER 92 -17.167 13.684 -5.472 731 HB3 SER 92 2HB SER 92 -17.206 12.471 -6.752 732 HG SER 92 HG SER 92 -15.379 11.980 -5.731 733 H SER 93 H SER 93 -17.719 14.200 -9.679 734 HA SER 93 HA SER 93 -20.206 15.526 -8.828 735 HB2 SER 93 1HB SER 93 -18.771 15.379 -11.462 736 HB3 SER 93 2HB SER 93 -20.506 15.693 -11.420 737 HG SER 93 HG SER 93 -20.123 17.642 -10.729 738 H GLY 94 H GLY 94 -22.171 14.560 -9.146 739 HA2 GLY 94 1HA GLY 94 -22.744 12.397 -10.800 740 HA3 GLY 94 2HA GLY 94 -22.245 11.731 -9.253 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -9.832 19.431 28.980 2 HA2 GLY 1 1HA GLY 1 -10.170 18.895 26.098 3 HA3 GLY 1 2HA GLY 1 -9.490 20.415 26.662 4 H SER 2 H SER 2 -8.572 17.787 25.177 5 HA SER 2 HA SER 2 -5.909 17.826 26.391 6 HB2 SER 2 1HB SER 2 -7.418 15.811 27.134 7 HB3 SER 2 2HB SER 2 -7.038 15.185 25.530 8 HG SER 2 HG SER 2 -5.176 14.621 26.293 9 H SER 3 H SER 3 -4.279 17.784 24.943 10 HA SER 3 HA SER 3 -4.760 18.322 22.246 11 HB2 SER 3 1HB SER 3 -2.356 17.659 23.872 12 HB3 SER 3 2HB SER 3 -2.210 17.518 22.121 13 HG SER 3 HG SER 3 -2.078 19.709 23.566 14 H GLY 4 H GLY 4 -5.224 17.072 20.560 15 HA2 GLY 4 1HA GLY 4 -4.895 14.156 20.878 16 HA3 GLY 4 2HA GLY 4 -6.119 14.922 19.876 17 H SER 5 H SER 5 -3.573 13.070 19.577 18 HA SER 5 HA SER 5 -2.747 14.313 17.045 19 HB2 SER 5 1HB SER 5 -0.979 13.190 19.210 20 HB3 SER 5 2HB SER 5 -0.433 13.285 17.535 21 HG SER 5 HG SER 5 -0.952 15.328 19.367 22 H SER 6 H SER 6 -3.772 12.986 15.654 23 HA SER 6 HA SER 6 -4.139 10.209 16.047 24 HB2 SER 6 1HB SER 6 -5.518 11.709 14.546 25 HB3 SER 6 2HB SER 6 -4.187 11.651 13.391 26 HG SER 6 HG SER 6 -4.482 9.446 13.195 27 H GLY 7 H GLY 7 -1.907 12.026 13.948 28 HA2 GLY 7 1HA GLY 7 0.277 11.467 13.375 29 HA3 GLY 7 2HA GLY 7 0.087 9.950 14.241 30 H ILE 8 H ILE 8 -2.288 9.107 12.862 31 HA ILE 8 HA ILE 8 -1.402 7.477 10.929 32 HB ILE 8 HB ILE 8 -4.019 8.980 10.877 33 HG12 ILE 8 1HG1 ILE 8 -3.458 6.142 11.744 34 HG13 ILE 8 2HG1 ILE 8 -3.471 7.502 12.862 35 HG21 ILE 8 1HG2 ILE 8 -2.853 7.298 8.890 36 HG22 ILE 8 2HG2 ILE 8 -4.246 6.477 9.592 37 HG23 ILE 8 3HG2 ILE 8 -4.431 8.084 8.889 38 HD11 ILE 8 3HD1 ILE 8 -5.741 7.781 12.704 39 HD12 ILE 8 1HD1 ILE 8 -5.834 7.023 11.114 40 HD13 ILE 8 2HD1 ILE 8 -5.589 6.030 12.551 41 H VAL 9 H VAL 9 -0.711 7.542 8.866 42 HA VAL 9 HA VAL 9 -1.082 9.968 7.284 43 HB VAL 9 HB VAL 9 1.104 10.153 8.548 44 HG11 VAL 9 1HG1 VAL 9 1.512 7.599 8.043 45 HG12 VAL 9 2HG1 VAL 9 2.281 8.243 6.591 46 HG13 VAL 9 3HG1 VAL 9 2.859 8.729 8.186 47 HG21 VAL 9 3HG2 VAL 9 0.675 10.417 5.646 48 HG22 VAL 9 1HG2 VAL 9 1.180 11.617 6.835 49 HG23 VAL 9 2HG2 VAL 9 2.355 10.478 6.178 50 H LEU 10 H LEU 10 -1.050 9.633 5.079 51 HA LEU 10 HA LEU 10 -1.949 7.361 3.967 52 HB2 LEU 10 1HB LEU 10 -0.252 9.556 2.904 53 HB3 LEU 10 2HB LEU 10 -0.488 8.132 1.892 54 HG LEU 10 HG LEU 10 -3.010 8.557 2.297 55 HD11 LEU 10 1HD1 LEU 10 -2.767 10.220 4.048 56 HD12 LEU 10 2HD1 LEU 10 -3.567 10.917 2.641 57 HD13 LEU 10 3HD1 LEU 10 -1.868 11.269 2.951 58 HD21 LEU 10 3HD2 LEU 10 -3.086 9.487 0.234 59 HD22 LEU 10 1HD2 LEU 10 -1.373 9.073 0.246 60 HD23 LEU 10 2HD2 LEU 10 -1.884 10.718 0.623 61 H LEU 11 H LEU 11 1.387 8.028 4.801 62 HA LEU 11 HA LEU 11 2.674 5.985 3.425 63 HB2 LEU 11 1HB LEU 11 3.532 7.917 5.011 64 HB3 LEU 11 2HB LEU 11 3.526 6.620 6.204 65 HG LEU 11 HG LEU 11 5.738 6.981 5.178 66 HD11 LEU 11 1HD1 LEU 11 5.530 4.844 6.029 67 HD12 LEU 11 2HD1 LEU 11 5.978 4.536 4.352 68 HD13 LEU 11 3HD1 LEU 11 4.295 4.384 4.858 69 HD21 LEU 11 3HD2 LEU 11 5.144 5.693 2.657 70 HD22 LEU 11 1HD2 LEU 11 6.052 7.169 2.984 71 HD23 LEU 11 2HD2 LEU 11 4.297 7.232 2.820 72 H ARG 12 H ARG 12 1.445 5.915 6.773 73 HA ARG 12 HA ARG 12 2.018 3.456 7.631 74 HB2 ARG 12 1HB ARG 12 0.416 5.216 8.641 75 HB3 ARG 12 2HB ARG 12 -0.848 4.347 7.781 76 HG2 ARG 12 1HG ARG 12 -0.521 2.398 9.047 77 HG3 ARG 12 2HG ARG 12 1.030 2.966 9.668 78 HD2 ARG 12 1HD ARG 12 -0.353 4.893 10.694 79 HD3 ARG 12 2HD ARG 12 -1.738 3.836 10.412 80 HE ARG 12 HE ARG 12 0.238 3.568 12.455 81 HH11 ARG 12 1HH1 ARG 12 -1.937 1.790 10.398 82 HH12 ARG 12 2HH1 ARG 12 -2.066 0.443 11.480 83 HH21 ARG 12 1HH2 ARG 12 0.074 1.801 13.888 84 HH22 ARG 12 2HH2 ARG 12 -0.923 0.450 13.464 85 H GLY 13 H GLY 13 -0.224 4.183 5.038 86 HA2 GLY 13 1HA GLY 13 -1.729 2.004 4.652 87 HA3 GLY 13 2HA GLY 13 -0.883 2.769 3.314 88 H LEU 14 H LEU 14 1.763 2.064 4.344 89 HA LEU 14 HA LEU 14 1.864 -0.620 3.261 90 HB2 LEU 14 1HB LEU 14 4.123 1.098 4.270 91 HB3 LEU 14 2HB LEU 14 4.255 -0.340 3.261 92 HG LEU 14 HG LEU 14 2.945 2.232 2.389 93 HD11 LEU 14 1HD1 LEU 14 5.044 3.008 2.308 94 HD12 LEU 14 2HD1 LEU 14 5.198 1.971 0.890 95 HD13 LEU 14 3HD1 LEU 14 5.753 1.402 2.464 96 HD21 LEU 14 3HD2 LEU 14 3.832 -0.183 0.813 97 HD22 LEU 14 1HD2 LEU 14 3.052 1.264 0.173 98 HD23 LEU 14 2HD2 LEU 14 2.164 0.189 1.253 99 H GLU 15 H GLU 15 3.108 0.954 6.215 100 HA GLU 15 HA GLU 15 3.981 -1.266 7.572 101 HB2 GLU 15 1HB GLU 15 2.689 1.257 8.600 102 HB3 GLU 15 2HB GLU 15 3.354 0.033 9.673 103 HG2 GLU 15 1HG GLU 15 5.537 0.305 8.471 104 HG3 GLU 15 2HG GLU 15 4.826 1.691 7.645 105 H CYS 16 H CYS 16 0.689 0.045 7.475 106 HA CYS 16 HA CYS 16 -0.655 -1.400 9.302 107 HB2 CYS 16 1HB CYS 16 -1.743 0.164 7.754 108 HB3 CYS 16 2HB CYS 16 -1.544 -0.989 6.440 109 HG CYS 16 HG CYS 16 -4.100 -1.449 6.870 110 H ILE 17 H ILE 17 -0.204 -2.612 5.976 111 HA ILE 17 HA ILE 17 -1.058 -5.236 6.576 112 HB ILE 17 HB ILE 17 -0.009 -5.854 4.402 113 HG12 ILE 17 1HG1 ILE 17 0.674 -2.922 4.175 114 HG13 ILE 17 2HG1 ILE 17 1.852 -4.148 4.629 115 HG21 ILE 17 1HG2 ILE 17 -2.045 -5.275 3.721 116 HG22 ILE 17 2HG2 ILE 17 -2.120 -3.948 4.880 117 HG23 ILE 17 3HG2 ILE 17 -1.380 -3.698 3.299 118 HD11 ILE 17 3HD1 ILE 17 0.574 -3.616 2.009 119 HD12 ILE 17 1HD1 ILE 17 2.247 -4.020 2.396 120 HD13 ILE 17 2HD1 ILE 17 1.010 -5.278 2.405 121 H ASN 18 H ASN 18 0.101 -7.139 6.882 122 HA ASN 18 HA ASN 18 2.596 -6.823 8.281 123 HB2 ASN 18 1HB ASN 18 0.793 -9.156 7.689 124 HB3 ASN 18 2HB ASN 18 2.393 -9.406 8.378 125 HD21 ASN 18 1HD2 ASN 18 1.931 -10.023 10.393 126 HD22 ASN 18 2HD2 ASN 18 1.018 -9.094 11.527 127 H LYS 19 H LYS 19 4.581 -7.802 7.744 128 HA LYS 19 HA LYS 19 5.663 -7.423 5.332 129 HB2 LYS 19 1HB LYS 19 6.225 -9.433 7.452 130 HB3 LYS 19 2HB LYS 19 7.036 -9.645 5.906 131 HG2 LYS 19 1HG LYS 19 8.525 -8.409 7.220 132 HG3 LYS 19 2HG LYS 19 7.783 -7.230 6.135 133 HD2 LYS 19 1HD LYS 19 6.499 -6.294 7.826 134 HD3 LYS 19 2HD LYS 19 6.614 -7.731 8.845 135 HE2 LYS 19 1HE LYS 19 8.879 -5.840 8.213 136 HE3 LYS 19 2HE LYS 19 7.955 -5.862 9.714 137 HZ1 LYS 19 3HZ LYS 19 9.349 -7.383 10.477 138 HZ2 LYS 19 1HZ LYS 19 10.186 -7.419 9.007 139 HZ3 LYS 19 2HZ LYS 19 8.871 -8.451 9.255 140 H HIS 20 H HIS 20 3.971 -10.400 6.268 141 HA HIS 20 HA HIS 20 4.322 -12.026 4.144 142 HB2 HIS 20 1HB HIS 20 2.893 -12.719 5.936 143 HB3 HIS 20 2HB HIS 20 1.747 -11.423 5.603 144 HD1 HIS 20 HD1 HIS 20 3.219 -13.994 3.216 145 HD2 HIS 20 HD2 HIS 20 -0.449 -12.731 4.706 146 HE1 HIS 20 HE1 HIS 20 1.490 -15.326 1.966 147 HE2 HIS 20 HE2 HIS 20 -0.723 -14.484 2.823 148 H TYR 21 H TYR 21 1.656 -9.654 4.244 149 HA TYR 21 HA TYR 21 1.075 -9.921 1.478 150 HB2 TYR 21 1HB TYR 21 0.233 -8.003 3.626 151 HB3 TYR 21 2HB TYR 21 -0.198 -7.698 1.947 152 HD1 TYR 21 HD1 TYR 21 -1.049 -10.080 0.787 153 HD2 TYR 21 HD2 TYR 21 -1.489 -8.903 4.852 154 HE1 TYR 21 HE1 TYR 21 -2.982 -11.584 1.007 155 HE2 TYR 21 HE2 TYR 21 -3.424 -10.405 5.083 156 HH TYR 21 HH TYR 21 -4.224 -12.748 2.721 157 H PHE 22 H PHE 22 2.841 -7.502 3.370 158 HA PHE 22 HA PHE 22 3.347 -5.547 1.566 159 HB2 PHE 22 1HB PHE 22 4.228 -5.547 3.864 160 HB3 PHE 22 2HB PHE 22 5.402 -6.779 3.412 161 HD1 PHE 22 HD1 PHE 22 4.330 -3.688 1.638 162 HD2 PHE 22 HD2 PHE 22 7.483 -5.795 3.572 163 HE1 PHE 22 HE1 PHE 22 5.913 -1.927 0.969 164 HE2 PHE 22 HE2 PHE 22 9.070 -4.037 2.906 165 HZ PHE 22 HZ PHE 22 8.286 -2.100 1.604 166 H SER 23 H SER 23 5.026 -8.662 1.752 167 HA SER 23 HA SER 23 6.968 -8.261 -0.179 168 HB2 SER 23 1HB SER 23 6.569 -10.299 1.357 169 HB3 SER 23 2HB SER 23 5.507 -10.884 0.077 170 HG SER 23 HG SER 23 7.479 -10.394 -1.302 171 H LEU 24 H LEU 24 3.599 -9.266 -0.582 172 HA LEU 24 HA LEU 24 3.740 -9.716 -3.371 173 HB2 LEU 24 1HB LEU 24 1.485 -9.176 -1.470 174 HB3 LEU 24 2HB LEU 24 1.205 -9.343 -3.202 175 HG LEU 24 HG LEU 24 2.532 -11.618 -2.793 176 HD11 LEU 24 1HD1 LEU 24 1.175 -11.067 -0.158 177 HD12 LEU 24 2HD1 LEU 24 2.911 -11.225 -0.425 178 HD13 LEU 24 3HD1 LEU 24 1.852 -12.615 -0.665 179 HD21 LEU 24 3HD2 LEU 24 0.117 -11.074 -3.602 180 HD22 LEU 24 1HD2 LEU 24 -0.339 -11.555 -1.967 181 HD23 LEU 24 2HD2 LEU 24 0.503 -12.694 -3.020 182 H PHE 25 H PHE 25 2.789 -6.903 -1.439 183 HA PHE 25 HA PHE 25 1.905 -5.238 -3.474 184 HB2 PHE 25 1HB PHE 25 1.776 -4.788 -1.002 185 HB3 PHE 25 2HB PHE 25 3.476 -4.337 -1.055 186 HD1 PHE 25 HD1 PHE 25 0.353 -3.562 -2.951 187 HD2 PHE 25 HD2 PHE 25 3.910 -2.093 -1.133 188 HE1 PHE 25 HE1 PHE 25 -0.283 -1.268 -3.570 189 HE2 PHE 25 HE2 PHE 25 3.280 0.203 -1.748 190 HZ PHE 25 HZ PHE 25 1.181 0.619 -2.967 191 H LYS 26 H LYS 26 5.197 -5.649 -2.209 192 HA LYS 26 HA LYS 26 6.456 -3.739 -3.820 193 HB2 LYS 26 1HB LYS 26 7.356 -6.162 -2.330 194 HB3 LYS 26 2HB LYS 26 8.467 -5.437 -3.484 195 HG2 LYS 26 1HG LYS 26 8.437 -3.357 -2.307 196 HG3 LYS 26 2HG LYS 26 7.149 -3.923 -1.242 197 HD2 LYS 26 1HD LYS 26 9.869 -5.211 -1.414 198 HD3 LYS 26 2HD LYS 26 9.447 -3.966 -0.237 199 HE2 LYS 26 1HE LYS 26 7.640 -5.408 0.607 200 HE3 LYS 26 2HE LYS 26 8.116 -6.657 -0.543 201 HZ1 LYS 26 3HZ LYS 26 9.590 -5.678 1.822 202 HZ2 LYS 26 1HZ LYS 26 10.388 -6.491 0.571 203 HZ3 LYS 26 2HZ LYS 26 9.152 -7.264 1.429 204 H SER 27 H SER 27 5.562 -7.073 -4.451 205 HA SER 27 HA SER 27 7.057 -7.408 -6.827 206 HB2 SER 27 1HB SER 27 5.978 -9.237 -5.430 207 HB3 SER 27 2HB SER 27 4.448 -8.788 -6.181 208 HG SER 27 HG SER 27 6.124 -10.476 -7.133 209 H LEU 28 H LEU 28 3.789 -6.236 -6.187 210 HA LEU 28 HA LEU 28 3.010 -6.041 -8.912 211 HB2 LEU 28 1HB LEU 28 1.937 -4.500 -6.556 212 HB3 LEU 28 2HB LEU 28 1.133 -4.759 -8.103 213 HG LEU 28 HG LEU 28 1.843 -7.069 -6.327 214 HD11 LEU 28 1HD1 LEU 28 0.481 -5.258 -5.130 215 HD12 LEU 28 2HD1 LEU 28 -0.152 -6.904 -5.133 216 HD13 LEU 28 3HD1 LEU 28 -0.822 -5.700 -6.234 217 HD21 LEU 28 3HD2 LEU 28 1.057 -8.098 -8.150 218 HD22 LEU 28 1HD2 LEU 28 0.345 -6.618 -8.793 219 HD23 LEU 28 2HD2 LEU 28 -0.532 -7.568 -7.593 220 H LEU 29 H LEU 29 4.596 -3.867 -6.662 221 HA LEU 29 HA LEU 29 4.483 -1.638 -8.514 222 HB2 LEU 29 1HB LEU 29 5.421 -2.059 -5.727 223 HB3 LEU 29 2HB LEU 29 6.129 -0.731 -6.644 224 HG LEU 29 HG LEU 29 4.292 0.040 -5.245 225 HD11 LEU 29 1HD1 LEU 29 2.848 0.422 -7.672 226 HD12 LEU 29 2HD1 LEU 29 4.576 0.464 -8.020 227 HD13 LEU 29 3HD1 LEU 29 3.894 1.552 -6.812 228 HD21 LEU 29 3HD2 LEU 29 3.112 -2.343 -5.745 229 HD22 LEU 29 1HD2 LEU 29 2.210 -1.291 -6.837 230 HD23 LEU 29 2HD2 LEU 29 2.266 -0.928 -5.112 231 H ALA 30 H ALA 30 6.657 -4.179 -7.623 232 HA ALA 30 HA ALA 30 9.157 -3.416 -8.115 233 HB1 ALA 30 3HB ALA 30 7.921 -5.825 -8.128 234 HB2 ALA 30 1HB ALA 30 8.445 -5.707 -9.809 235 HB3 ALA 30 2HB ALA 30 9.626 -5.579 -8.504 236 H ARG 31 H ARG 31 6.802 -4.004 -10.718 237 HA ARG 31 HA ARG 31 8.502 -3.337 -12.851 238 HB2 ARG 31 1HB ARG 31 6.132 -2.724 -13.908 239 HB3 ARG 31 2HB ARG 31 6.640 -4.387 -13.648 240 HG2 ARG 31 1HG ARG 31 5.197 -3.027 -11.444 241 HG3 ARG 31 2HG ARG 31 4.275 -3.497 -12.873 242 HD2 ARG 31 1HD ARG 31 6.118 -5.496 -11.674 243 HD3 ARG 31 2HD ARG 31 4.617 -5.137 -10.821 244 HE ARG 31 HE ARG 31 4.908 -6.567 -13.303 245 HH11 ARG 31 1HH1 ARG 31 2.758 -4.714 -11.287 246 HH12 ARG 31 2HH1 ARG 31 1.320 -5.393 -11.972 247 HH21 ARG 31 1HH2 ARG 31 3.022 -7.469 -14.214 248 HH22 ARG 31 2HH2 ARG 31 1.470 -6.961 -13.637 249 H ASP 32 H ASP 32 6.066 -1.364 -11.160 250 HA ASP 32 HA ASP 32 6.571 1.012 -12.586 251 HB2 ASP 32 1HB ASP 32 5.383 0.529 -9.850 252 HB3 ASP 32 2HB ASP 32 5.456 2.120 -10.604 253 H LEU 33 H LEU 33 7.514 0.204 -9.238 254 HA LEU 33 HA LEU 33 9.385 2.360 -9.103 255 HB2 LEU 33 1HB LEU 33 9.147 -0.033 -7.289 256 HB3 LEU 33 2HB LEU 33 9.960 1.489 -6.929 257 HG LEU 33 HG LEU 33 6.997 1.285 -7.432 258 HD11 LEU 33 1HD1 LEU 33 6.584 1.024 -5.172 259 HD12 LEU 33 2HD1 LEU 33 8.208 1.530 -4.709 260 HD13 LEU 33 3HD1 LEU 33 7.952 -0.057 -5.434 261 HD21 LEU 33 3HD2 LEU 33 8.002 3.398 -5.715 262 HD22 LEU 33 1HD2 LEU 33 6.948 3.491 -7.126 263 HD23 LEU 33 2HD2 LEU 33 8.698 3.460 -7.334 264 H ASN 34 H ASN 34 9.548 -0.325 -10.871 265 HA ASN 34 HA ASN 34 11.196 -1.719 -11.645 266 HB2 ASN 34 1HB ASN 34 12.364 1.032 -11.541 267 HB3 ASN 34 2HB ASN 34 13.400 -0.311 -12.013 268 HD21 ASN 34 1HD2 ASN 34 12.384 -1.777 -13.703 269 HD22 ASN 34 2HD2 ASN 34 11.592 -0.985 -15.017 270 H LEU 35 H LEU 35 10.893 -2.210 -8.997 271 HA LEU 35 HA LEU 35 13.261 -1.940 -7.465 272 HB2 LEU 35 1HB LEU 35 11.161 -4.066 -7.126 273 HB3 LEU 35 2HB LEU 35 12.243 -3.411 -5.899 274 HG LEU 35 HG LEU 35 10.074 -1.803 -7.239 275 HD11 LEU 35 1HD1 LEU 35 9.504 -3.908 -5.703 276 HD12 LEU 35 2HD1 LEU 35 8.563 -2.417 -5.669 277 HD13 LEU 35 3HD1 LEU 35 9.791 -2.712 -4.438 278 HD21 LEU 35 3HD2 LEU 35 11.235 -1.196 -4.571 279 HD22 LEU 35 1HD2 LEU 35 10.594 -0.108 -5.803 280 HD23 LEU 35 2HD2 LEU 35 12.194 -0.823 -6.004 281 H GLU 36 H GLU 36 14.064 -4.243 -6.472 282 HA GLU 36 HA GLU 36 15.462 -5.468 -8.684 283 HB2 GLU 36 1HB GLU 36 15.701 -5.488 -5.722 284 HB3 GLU 36 2HB GLU 36 16.323 -6.888 -6.585 285 HG2 GLU 36 1HG GLU 36 17.463 -4.994 -8.053 286 HG3 GLU 36 2HG GLU 36 17.294 -4.092 -6.547 287 H ARG 37 H ARG 37 15.839 -8.033 -8.057 288 HA ARG 37 HA ARG 37 13.146 -9.181 -8.309 289 HB2 ARG 37 1HB ARG 37 14.163 -11.024 -9.487 290 HB3 ARG 37 2HB ARG 37 14.716 -9.518 -10.207 291 HG2 ARG 37 1HG ARG 37 16.694 -10.622 -10.097 292 HG3 ARG 37 2HG ARG 37 16.711 -9.861 -8.504 293 HD2 ARG 37 1HD ARG 37 17.201 -12.008 -7.906 294 HD3 ARG 37 2HD ARG 37 15.441 -12.076 -7.827 295 HE ARG 37 HE ARG 37 16.415 -12.782 -10.410 296 HH11 ARG 37 1HH1 ARG 37 15.940 -13.981 -7.177 297 HH12 ARG 37 2HH1 ARG 37 15.825 -15.639 -7.668 298 HH21 ARG 37 1HH2 ARG 37 16.264 -14.960 -11.070 299 HH22 ARG 37 2HH2 ARG 37 16.010 -16.194 -9.883 300 H ASP 38 H ASP 38 16.140 -9.354 -6.515 301 HA ASP 38 HA ASP 38 14.916 -11.373 -4.749 302 HB2 ASP 38 1HB ASP 38 16.780 -12.486 -5.550 303 HB3 ASP 38 2HB ASP 38 17.731 -11.010 -5.692 304 H ASN 39 H ASN 39 16.474 -8.285 -5.001 305 HA ASN 39 HA ASN 39 16.934 -7.958 -2.187 306 HB2 ASN 39 1HB ASN 39 18.385 -6.620 -3.373 307 HB3 ASN 39 2HB ASN 39 17.195 -6.245 -4.616 308 HD21 ASN 39 1HD2 ASN 39 18.845 -5.072 -1.995 309 HD22 ASN 39 2HD2 ASN 39 17.856 -3.702 -1.637 310 H GLN 40 H GLN 40 14.175 -7.983 -4.021 311 HA GLN 40 HA GLN 40 12.700 -5.809 -3.032 312 HB2 GLN 40 1HB GLN 40 12.057 -8.401 -4.330 313 HB3 GLN 40 2HB GLN 40 10.751 -7.593 -3.474 314 HG2 GLN 40 1HG GLN 40 11.148 -5.574 -4.823 315 HG3 GLN 40 2HG GLN 40 12.399 -6.442 -5.713 316 HE21 GLN 40 1HE2 GLN 40 11.782 -8.203 -7.039 317 HE22 GLN 40 2HE2 GLN 40 10.173 -8.327 -7.654 318 H GLU 41 H GLU 41 13.924 -8.463 -1.404 319 HA GLU 41 HA GLU 41 11.786 -8.641 0.555 320 HB2 GLU 41 1HB GLU 41 14.486 -9.998 0.440 321 HB3 GLU 41 2HB GLU 41 13.239 -10.330 1.634 322 HG2 GLU 41 1HG GLU 41 11.733 -11.021 -0.212 323 HG3 GLU 41 2HG GLU 41 13.079 -10.817 -1.331 324 H GLN 42 H GLN 42 15.296 -8.013 0.743 325 HA GLN 42 HA GLN 42 15.493 -7.129 3.310 326 HB2 GLN 42 1HB GLN 42 17.331 -5.582 2.431 327 HB3 GLN 42 2HB GLN 42 17.498 -7.300 2.100 328 HG2 GLN 42 1HG GLN 42 16.449 -6.836 -0.150 329 HG3 GLN 42 2HG GLN 42 16.660 -5.123 0.211 330 HE21 GLN 42 1HE2 GLN 42 18.199 -8.074 -0.675 331 HE22 GLN 42 2HE2 GLN 42 19.773 -7.421 -0.959 332 H TYR 43 H TYR 43 14.609 -5.150 0.494 333 HA TYR 43 HA TYR 43 14.451 -2.653 1.418 334 HB2 TYR 43 1HB TYR 43 12.635 -4.221 -0.337 335 HB3 TYR 43 2HB TYR 43 12.059 -2.653 0.217 336 HD1 TYR 43 HD1 TYR 43 14.529 -1.063 0.228 337 HD2 TYR 43 HD2 TYR 43 13.138 -3.930 -2.591 338 HE1 TYR 43 HE1 TYR 43 15.838 0.044 -1.536 339 HE2 TYR 43 HE2 TYR 43 14.444 -2.833 -4.361 340 HH TYR 43 HH TYR 43 16.713 -0.274 -3.655 341 H THR 44 H THR 44 12.926 -1.332 2.514 342 HA THR 44 HA THR 44 11.154 -2.791 4.363 343 HB THR 44 HB THR 44 11.676 -1.201 6.127 344 HG1 THR 44 HG1 THR 44 12.305 0.470 4.430 345 HG21 THR 44 3HG2 THR 44 13.604 -2.216 6.785 346 HG22 THR 44 1HG2 THR 44 14.407 -1.940 5.239 347 HG23 THR 44 2HG2 THR 44 13.237 -3.249 5.404 348 H THR 45 H THR 45 9.360 -1.519 5.213 349 HA THR 45 HA THR 45 7.729 -0.399 3.366 350 HB THR 45 HB THR 45 6.564 0.798 5.214 351 HG1 THR 45 HG1 THR 45 8.575 -0.281 6.910 352 HG21 THR 45 3HG2 THR 45 6.779 -1.902 4.784 353 HG22 THR 45 1HG2 THR 45 5.615 -1.132 5.861 354 HG23 THR 45 2HG2 THR 45 7.130 -1.765 6.507 355 H ILE 46 H ILE 46 10.434 1.125 4.914 356 HA ILE 46 HA ILE 46 9.715 3.812 4.244 357 HB ILE 46 HB ILE 46 12.300 2.558 5.144 358 HG12 ILE 46 1HG1 ILE 46 10.604 2.759 6.866 359 HG13 ILE 46 2HG1 ILE 46 11.869 3.946 7.162 360 HG21 ILE 46 1HG2 ILE 46 13.253 4.792 5.297 361 HG22 ILE 46 2HG2 ILE 46 12.817 4.412 3.632 362 HG23 ILE 46 3HG2 ILE 46 11.790 5.477 4.590 363 HD11 ILE 46 3HD1 ILE 46 10.273 5.467 7.315 364 HD12 ILE 46 1HD1 ILE 46 10.007 5.271 5.582 365 HD13 ILE 46 2HD1 ILE 46 9.054 4.333 6.734 366 H GLN 47 H GLN 47 12.424 1.800 3.080 367 HA GLN 47 HA GLN 47 13.224 3.321 0.955 368 HB2 GLN 47 1HB GLN 47 13.110 0.312 1.174 369 HB3 GLN 47 2HB GLN 47 13.956 1.162 -0.112 370 HG2 GLN 47 1HG GLN 47 15.125 2.371 1.910 371 HG3 GLN 47 2HG GLN 47 14.636 0.910 2.768 372 HE21 GLN 47 1HE2 GLN 47 15.599 -1.030 2.277 373 HE22 GLN 47 2HE2 GLN 47 17.003 -1.158 1.279 374 H ILE 48 H ILE 48 10.607 0.934 0.994 375 HA ILE 48 HA ILE 48 9.964 1.200 -1.762 376 HB ILE 48 HB ILE 48 8.234 0.207 0.506 377 HG12 ILE 48 1HG1 ILE 48 10.274 -1.102 0.310 378 HG13 ILE 48 2HG1 ILE 48 8.914 -2.039 -0.298 379 HG21 ILE 48 1HG2 ILE 48 7.482 -1.069 -1.829 380 HG22 ILE 48 2HG2 ILE 48 6.605 0.226 -1.013 381 HG23 ILE 48 3HG2 ILE 48 7.727 0.608 -2.320 382 HD11 ILE 48 3HD1 ILE 48 10.928 -0.558 -1.972 383 HD12 ILE 48 1HD1 ILE 48 10.868 -2.301 -1.710 384 HD13 ILE 48 2HD1 ILE 48 9.565 -1.495 -2.585 385 H ALA 49 H ALA 49 8.950 2.855 1.152 386 HA ALA 49 HA ALA 49 6.657 4.132 0.151 387 HB1 ALA 49 3HB ALA 49 6.961 4.144 2.486 388 HB2 ALA 49 1HB ALA 49 8.572 4.850 2.353 389 HB3 ALA 49 2HB ALA 49 7.148 5.822 1.979 390 H ASN 50 H ASN 50 9.821 5.672 0.746 391 HA ASN 50 HA ASN 50 9.514 8.039 -0.489 392 HB2 ASN 50 1HB ASN 50 11.905 6.199 -0.587 393 HB3 ASN 50 2HB ASN 50 11.952 7.850 -1.197 394 HD21 ASN 50 1HD2 ASN 50 12.349 5.884 1.477 395 HD22 ASN 50 2HD2 ASN 50 12.408 7.109 2.694 396 H MET 51 H MET 51 10.878 5.269 -2.281 397 HA MET 51 HA MET 51 10.922 6.199 -4.799 398 HB2 MET 51 1HB MET 51 10.158 3.509 -3.730 399 HB3 MET 51 2HB MET 51 10.063 3.809 -5.460 400 HG2 MET 51 1HG MET 51 12.483 4.620 -5.255 401 HG3 MET 51 2HG MET 51 12.470 3.824 -3.683 402 HE1 MET 51 3HE MET 51 12.707 0.246 -4.236 403 HE2 MET 51 1HE MET 51 14.020 1.394 -3.976 404 HE3 MET 51 2HE MET 51 12.468 1.634 -3.174 405 H MET 52 H MET 52 8.009 4.957 -3.186 406 HA MET 52 HA MET 52 6.290 5.421 -5.403 407 HB2 MET 52 1HB MET 52 5.820 4.883 -2.482 408 HB3 MET 52 2HB MET 52 4.485 5.234 -3.572 409 HG2 MET 52 1HG MET 52 5.368 3.328 -5.005 410 HG3 MET 52 2HG MET 52 6.367 2.902 -3.617 411 HE1 MET 52 3HE MET 52 1.871 2.919 -4.030 412 HE2 MET 52 1HE MET 52 3.115 3.491 -5.143 413 HE3 MET 52 2HE MET 52 2.736 1.770 -5.052 414 H GLU 53 H GLU 53 7.039 7.248 -2.463 415 HA GLU 53 HA GLU 53 5.177 9.273 -2.647 416 HB2 GLU 53 1HB GLU 53 7.977 9.167 -1.589 417 HB3 GLU 53 2HB GLU 53 7.123 10.703 -1.631 418 HG2 GLU 53 1HG GLU 53 5.267 9.562 -0.356 419 HG3 GLU 53 2HG GLU 53 6.381 8.216 -0.122 420 H GLU 54 H GLU 54 8.291 8.989 -4.299 421 HA GLU 54 HA GLU 54 8.022 11.537 -5.608 422 HB2 GLU 54 1HB GLU 54 9.955 9.263 -6.080 423 HB3 GLU 54 2HB GLU 54 10.059 10.844 -6.840 424 HG2 GLU 54 1HG GLU 54 10.354 10.202 -3.919 425 HG3 GLU 54 2HG GLU 54 11.601 10.773 -5.025 426 H LYS 55 H LYS 55 7.560 8.150 -6.464 427 HA LYS 55 HA LYS 55 7.184 8.442 -9.216 428 HB2 LYS 55 1HB LYS 55 6.304 6.435 -7.183 429 HB3 LYS 55 2HB LYS 55 5.615 6.359 -8.799 430 HG2 LYS 55 1HG LYS 55 8.579 6.434 -8.343 431 HG3 LYS 55 2HG LYS 55 7.661 4.926 -8.323 432 HD2 LYS 55 1HD LYS 55 6.743 5.805 -10.611 433 HD3 LYS 55 2HD LYS 55 8.207 6.790 -10.592 434 HE2 LYS 55 1HE LYS 55 8.438 3.880 -10.008 435 HE3 LYS 55 2HE LYS 55 8.173 4.383 -11.676 436 HZ1 LYS 55 3HZ LYS 55 10.229 5.866 -10.294 437 HZ2 LYS 55 1HZ LYS 55 10.240 5.184 -11.843 438 HZ3 LYS 55 2HZ LYS 55 10.579 4.223 -10.493 439 H PHE 56 H PHE 56 4.750 8.387 -6.614 440 HA PHE 56 HA PHE 56 2.936 9.842 -8.421 441 HB2 PHE 56 1HB PHE 56 1.834 8.094 -6.262 442 HB3 PHE 56 2HB PHE 56 1.121 8.551 -7.806 443 HD1 PHE 56 HD2 PHE 56 1.982 7.482 -9.905 444 HD2 PHE 56 HD1 PHE 56 3.044 6.100 -6.022 445 HE1 PHE 56 HE2 PHE 56 2.690 5.332 -10.868 446 HE2 PHE 56 HE1 PHE 56 3.755 3.947 -6.979 447 HZ PHE 56 HZ PHE 56 3.577 3.560 -9.405 448 HA PRO 57 HA PRO 57 3.665 12.497 -4.743 449 HB2 PRO 57 1HB PRO 57 3.532 14.823 -6.138 450 HB3 PRO 57 2HB PRO 57 5.013 13.867 -6.003 451 HG2 PRO 57 1HG PRO 57 3.029 13.980 -8.242 452 HG3 PRO 57 2HG PRO 57 4.800 13.960 -8.318 453 HD2 PRO 57 1HD PRO 57 3.299 11.750 -8.757 454 HD3 PRO 57 2HD PRO 57 4.913 11.678 -8.021 455 H ALA 58 H ALA 58 1.106 11.780 -6.726 456 HA ALA 58 HA ALA 58 -0.677 13.873 -5.793 457 HB1 ALA 58 3HB ALA 58 -1.503 13.419 -7.819 458 HB2 ALA 58 1HB ALA 58 -0.723 11.838 -7.883 459 HB3 ALA 58 2HB ALA 58 -2.266 12.027 -7.049 460 H ASP 59 H ASP 59 -0.562 10.313 -5.585 461 HA ASP 59 HA ASP 59 -2.245 10.483 -3.177 462 HB2 ASP 59 1HB ASP 59 -2.965 8.239 -3.613 463 HB3 ASP 59 2HB ASP 59 -3.104 9.139 -5.120 464 H SER 60 H SER 60 0.899 9.946 -4.217 465 HA SER 60 HA SER 60 2.798 9.209 -3.205 466 HB2 SER 60 1HB SER 60 3.045 9.684 -0.945 467 HB3 SER 60 2HB SER 60 1.662 10.697 -1.362 468 HG SER 60 HG SER 60 1.384 9.410 0.566 469 H GLY 61 H GLY 61 0.792 7.282 -4.135 470 HA2 GLY 61 1HA GLY 61 1.015 4.946 -4.288 471 HA3 GLY 61 2HA GLY 61 1.884 4.951 -2.761 472 H LEU 62 H LEU 62 -0.615 6.840 -2.071 473 HA LEU 62 HA LEU 62 -1.916 5.102 -0.376 474 HB2 LEU 62 1HB LEU 62 -2.350 7.345 -0.007 475 HB3 LEU 62 2HB LEU 62 -2.727 7.653 -1.701 476 HG LEU 62 HG LEU 62 -4.821 6.217 -1.278 477 HD11 LEU 62 1HD1 LEU 62 -4.502 7.076 1.560 478 HD12 LEU 62 2HD1 LEU 62 -3.800 5.550 1.027 479 HD13 LEU 62 3HD1 LEU 62 -5.534 5.822 0.871 480 HD21 LEU 62 3HD2 LEU 62 -5.150 8.650 0.316 481 HD22 LEU 62 1HD2 LEU 62 -5.945 8.152 -1.178 482 HD23 LEU 62 2HD2 LEU 62 -4.350 8.903 -1.236 483 H GLY 63 H GLY 63 -2.936 6.057 -3.656 484 HA2 GLY 63 1HA GLY 63 -5.211 4.387 -3.744 485 HA3 GLY 63 2HA GLY 63 -4.381 5.065 -5.138 486 H LYS 64 H LYS 64 -1.937 3.902 -5.060 487 HA LYS 64 HA LYS 64 -2.280 1.466 -6.281 488 HB2 LYS 64 1HB LYS 64 -0.163 3.027 -5.945 489 HB3 LYS 64 2HB LYS 64 0.196 1.876 -4.664 490 HG2 LYS 64 1HG LYS 64 1.300 0.876 -6.373 491 HG3 LYS 64 2HG LYS 64 -0.286 0.133 -6.597 492 HD2 LYS 64 1HD LYS 64 -0.661 2.290 -8.098 493 HD3 LYS 64 2HD LYS 64 1.098 2.204 -8.220 494 HE2 LYS 64 1HE LYS 64 -0.625 -0.203 -8.713 495 HE3 LYS 64 2HE LYS 64 -0.313 0.977 -9.987 496 HZ1 LYS 64 3HZ LYS 64 1.639 -0.742 -8.575 497 HZ2 LYS 64 1HZ LYS 64 2.118 0.611 -9.471 498 HZ3 LYS 64 2HZ LYS 64 1.316 -0.667 -10.233 499 H LEU 65 H LEU 65 -1.641 2.099 -2.855 500 HA LEU 65 HA LEU 65 -1.441 -0.610 -2.072 501 HB2 LEU 65 1HB LEU 65 -0.735 1.507 -0.809 502 HB3 LEU 65 2HB LEU 65 -2.418 1.603 -0.294 503 HG LEU 65 HG LEU 65 -0.868 0.575 1.371 504 HD11 LEU 65 1HD1 LEU 65 -2.561 -1.693 0.970 505 HD12 LEU 65 2HD1 LEU 65 -3.445 -0.220 0.572 506 HD13 LEU 65 3HD1 LEU 65 -2.696 -0.397 2.158 507 HD21 LEU 65 3HD2 LEU 65 -0.866 -1.989 -0.068 508 HD22 LEU 65 1HD2 LEU 65 0.371 -1.254 0.953 509 HD23 LEU 65 2HD2 LEU 65 0.203 -0.751 -0.729 510 H ILE 66 H ILE 66 -4.115 1.700 -1.557 511 HA ILE 66 HA ILE 66 -6.040 0.222 -0.461 512 HB ILE 66 HB ILE 66 -6.300 2.112 -2.786 513 HG12 ILE 66 1HG1 ILE 66 -7.295 2.430 0.041 514 HG13 ILE 66 2HG1 ILE 66 -5.643 2.833 -0.410 515 HG21 ILE 66 1HG2 ILE 66 -8.744 2.126 -2.331 516 HG22 ILE 66 2HG2 ILE 66 -8.157 0.612 -3.017 517 HG23 ILE 66 3HG2 ILE 66 -8.516 0.718 -1.294 518 HD11 ILE 66 3HD1 ILE 66 -6.354 4.559 -1.844 519 HD12 ILE 66 1HD1 ILE 66 -8.030 4.016 -1.789 520 HD13 ILE 66 2HD1 ILE 66 -7.289 4.736 -0.360 521 H GLU 67 H GLU 67 -5.596 0.254 -4.005 522 HA GLU 67 HA GLU 67 -7.395 -1.702 -4.690 523 HB2 GLU 67 1HB GLU 67 -4.698 -1.094 -5.904 524 HB3 GLU 67 2HB GLU 67 -5.873 -2.172 -6.642 525 HG2 GLU 67 1HG GLU 67 -6.409 0.714 -5.986 526 HG3 GLU 67 2HG GLU 67 -5.867 0.135 -7.561 527 H PHE 68 H PHE 68 -3.918 -2.245 -4.091 528 HA PHE 68 HA PHE 68 -3.725 -4.928 -4.323 529 HB2 PHE 68 1HB PHE 68 -1.791 -3.635 -3.731 530 HB3 PHE 68 2HB PHE 68 -2.505 -3.172 -2.190 531 HD1 PHE 68 HD1 PHE 68 -1.773 -6.338 -4.033 532 HD2 PHE 68 HD2 PHE 68 -1.622 -4.204 -0.354 533 HE1 PHE 68 HE1 PHE 68 -0.697 -8.272 -2.960 534 HE2 PHE 68 HE2 PHE 68 -0.543 -6.135 0.725 535 HZ PHE 68 HZ PHE 68 -0.079 -8.172 -0.579 536 H CYS 69 H CYS 69 -5.103 -3.197 -1.573 537 HA CYS 69 HA CYS 69 -5.512 -5.486 0.050 538 HB2 CYS 69 1HB CYS 69 -6.998 -2.853 0.114 539 HB3 CYS 69 2HB CYS 69 -6.931 -4.042 1.408 540 HG CYS 69 HG CYS 69 -4.450 -1.965 0.332 541 H GLU 70 H GLU 70 -7.726 -3.605 -2.009 542 HA GLU 70 HA GLU 70 -10.082 -4.891 -1.635 543 HB2 GLU 70 1HB GLU 70 -8.852 -3.887 -4.197 544 HB3 GLU 70 2HB GLU 70 -10.498 -4.499 -4.125 545 HG2 GLU 70 1HG GLU 70 -9.685 -2.381 -2.206 546 HG3 GLU 70 2HG GLU 70 -9.978 -1.940 -3.887 547 H GLU 71 H GLU 71 -7.528 -5.954 -3.875 548 HA GLU 71 HA GLU 71 -8.736 -8.207 -4.908 549 HB2 GLU 71 1HB GLU 71 -5.813 -7.973 -4.175 550 HB3 GLU 71 2HB GLU 71 -6.510 -9.047 -5.379 551 HG2 GLU 71 1HG GLU 71 -6.598 -6.044 -5.529 552 HG3 GLU 71 2HG GLU 71 -5.392 -7.053 -6.328 553 H VAL 72 H VAL 72 -6.849 -7.921 -1.916 554 HA VAL 72 HA VAL 72 -7.373 -10.689 -1.222 555 HB VAL 72 HB VAL 72 -6.036 -8.589 0.483 556 HG11 VAL 72 1HG1 VAL 72 -5.170 -11.360 0.706 557 HG12 VAL 72 2HG1 VAL 72 -5.631 -10.212 1.964 558 HG13 VAL 72 3HG1 VAL 72 -6.871 -11.134 1.112 559 HG21 VAL 72 3HG2 VAL 72 -3.936 -9.221 -0.418 560 HG22 VAL 72 1HG2 VAL 72 -4.647 -10.563 -1.314 561 HG23 VAL 72 2HG2 VAL 72 -4.989 -8.902 -1.796 562 HA PRO 73 HA PRO 73 -11.142 -9.627 0.889 563 HB2 PRO 73 1HB PRO 73 -11.616 -12.103 1.896 564 HB3 PRO 73 2HB PRO 73 -11.916 -11.680 0.207 565 HG2 PRO 73 1HG PRO 73 -9.579 -13.108 1.415 566 HG3 PRO 73 2HG PRO 73 -10.464 -13.475 -0.077 567 HD2 PRO 73 1HD PRO 73 -8.086 -12.182 -0.074 568 HD3 PRO 73 2HD PRO 73 -9.344 -11.864 -1.286 569 H ALA 74 H ALA 74 -8.160 -10.271 2.204 570 HA ALA 74 HA ALA 74 -9.161 -10.150 4.970 571 HB1 ALA 74 3HB ALA 74 -6.987 -10.991 5.662 572 HB2 ALA 74 1HB ALA 74 -7.716 -12.066 4.468 573 HB3 ALA 74 2HB ALA 74 -6.427 -10.963 3.990 574 H LEU 75 H LEU 75 -8.152 -8.142 2.610 575 HA LEU 75 HA LEU 75 -6.938 -6.270 4.533 576 HB2 LEU 75 1HB LEU 75 -6.316 -6.566 1.599 577 HB3 LEU 75 2HB LEU 75 -5.674 -5.304 2.650 578 HG LEU 75 HG LEU 75 -5.138 -8.260 2.948 579 HD11 LEU 75 1HD1 LEU 75 -3.795 -7.870 1.187 580 HD12 LEU 75 2HD1 LEU 75 -2.754 -7.127 2.401 581 HD13 LEU 75 3HD1 LEU 75 -3.817 -6.121 1.419 582 HD21 LEU 75 3HD2 LEU 75 -4.377 -5.840 4.519 583 HD22 LEU 75 1HD2 LEU 75 -3.255 -7.196 4.413 584 HD23 LEU 75 2HD2 LEU 75 -4.869 -7.439 5.081 585 H ARG 76 H ARG 76 -9.390 -6.883 2.253 586 HA ARG 76 HA ARG 76 -10.039 -4.411 1.225 587 HB2 ARG 76 1HB ARG 76 -11.601 -6.840 1.940 588 HB3 ARG 76 2HB ARG 76 -12.504 -5.366 1.610 589 HG2 ARG 76 1HG ARG 76 -11.758 -5.261 -0.598 590 HG3 ARG 76 2HG ARG 76 -10.428 -6.380 -0.295 591 HD2 ARG 76 1HD ARG 76 -11.771 -8.225 -0.412 592 HD3 ARG 76 2HD ARG 76 -13.195 -7.357 0.158 593 HE ARG 76 HE ARG 76 -12.461 -7.800 -2.536 594 HH11 ARG 76 1HH1 ARG 76 -13.831 -5.384 -0.438 595 HH12 ARG 76 2HH1 ARG 76 -14.745 -4.621 -1.698 596 HH21 ARG 76 1HH2 ARG 76 -13.658 -6.805 -4.203 597 HH22 ARG 76 2HH2 ARG 76 -14.645 -5.430 -3.838 598 H LYS 77 H LYS 77 -10.539 -5.643 4.462 599 HA LYS 77 HA LYS 77 -12.406 -3.857 5.452 600 HB2 LYS 77 1HB LYS 77 -11.545 -5.788 6.712 601 HB3 LYS 77 2HB LYS 77 -9.994 -4.979 6.893 602 HG2 LYS 77 1HG LYS 77 -10.864 -3.385 8.361 603 HG3 LYS 77 2HG LYS 77 -12.530 -3.740 7.900 604 HD2 LYS 77 1HD LYS 77 -12.356 -4.791 9.955 605 HD3 LYS 77 2HD LYS 77 -12.011 -6.109 8.833 606 HE2 LYS 77 1HE LYS 77 -9.615 -5.764 9.163 607 HE3 LYS 77 2HE LYS 77 -9.953 -4.435 10.269 608 HZ1 LYS 77 3HZ LYS 77 -10.079 -7.287 10.722 609 HZ2 LYS 77 1HZ LYS 77 -11.389 -6.419 11.352 610 HZ3 LYS 77 2HZ LYS 77 -9.811 -6.026 11.819 611 H ARG 78 H ARG 78 -8.900 -3.459 5.142 612 HA ARG 78 HA ARG 78 -8.914 -0.836 6.313 613 HB2 ARG 78 1HB ARG 78 -6.805 -2.382 4.802 614 HB3 ARG 78 2HB ARG 78 -6.538 -0.778 5.473 615 HG2 ARG 78 1HG ARG 78 -7.474 -3.046 7.190 616 HG3 ARG 78 2HG ARG 78 -5.765 -2.802 6.829 617 HD2 ARG 78 1HD ARG 78 -5.756 -0.674 7.869 618 HD3 ARG 78 2HD ARG 78 -7.517 -0.633 7.957 619 HE ARG 78 HE ARG 78 -6.572 -2.848 9.404 620 HH11 ARG 78 1HH1 ARG 78 -6.632 0.629 9.552 621 HH12 ARG 78 2HH1 ARG 78 -6.578 0.687 11.283 622 HH21 ARG 78 1HH2 ARG 78 -6.501 -2.785 11.683 623 HH22 ARG 78 2HH2 ARG 78 -6.503 -1.256 12.494 624 H ALA 79 H ALA 79 -8.734 -2.157 3.036 625 HA ALA 79 HA ALA 79 -8.161 0.002 1.504 626 HB1 ALA 79 3HB ALA 79 -9.705 -2.428 1.130 627 HB2 ALA 79 1HB ALA 79 -10.274 -1.103 0.115 628 HB3 ALA 79 2HB ALA 79 -8.588 -1.617 0.034 629 H GLU 80 H GLU 80 -11.540 -0.859 2.274 630 HA GLU 80 HA GLU 80 -12.753 1.436 1.372 631 HB2 GLU 80 1HB GLU 80 -14.612 0.906 2.833 632 HB3 GLU 80 2HB GLU 80 -13.957 -0.577 2.151 633 HG2 GLU 80 1HG GLU 80 -14.231 -1.204 4.323 634 HG3 GLU 80 2HG GLU 80 -12.569 -0.618 4.371 635 H ILE 81 H ILE 81 -11.341 0.842 4.566 636 HA ILE 81 HA ILE 81 -12.096 3.235 5.793 637 HB ILE 81 HB ILE 81 -9.631 1.552 6.249 638 HG12 ILE 81 1HG1 ILE 81 -12.202 1.704 7.832 639 HG13 ILE 81 2HG1 ILE 81 -11.873 0.478 6.612 640 HG21 ILE 81 1HG2 ILE 81 -10.280 4.138 7.255 641 HG22 ILE 81 2HG2 ILE 81 -10.362 2.974 8.575 642 HG23 ILE 81 3HG2 ILE 81 -8.885 3.125 7.624 643 HD11 ILE 81 3HD1 ILE 81 -9.859 -0.168 7.960 644 HD12 ILE 81 1HD1 ILE 81 -10.460 0.901 9.227 645 HD13 ILE 81 2HD1 ILE 81 -11.418 -0.489 8.718 646 H LEU 82 H LEU 82 -9.164 2.446 3.948 647 HA LEU 82 HA LEU 82 -7.869 4.909 4.251 648 HB2 LEU 82 1HB LEU 82 -7.742 2.988 1.932 649 HB3 LEU 82 2HB LEU 82 -6.587 4.279 2.258 650 HG LEU 82 HG LEU 82 -7.057 2.067 4.233 651 HD11 LEU 82 1HD1 LEU 82 -5.231 0.833 3.257 652 HD12 LEU 82 2HD1 LEU 82 -5.034 2.052 1.999 653 HD13 LEU 82 3HD1 LEU 82 -6.494 1.063 2.048 654 HD21 LEU 82 3HD2 LEU 82 -5.293 2.915 5.334 655 HD22 LEU 82 1HD2 LEU 82 -5.672 4.387 4.440 656 HD23 LEU 82 2HD2 LEU 82 -4.417 3.297 3.851 657 H LYS 83 H LYS 83 -10.085 3.766 1.727 658 HA LYS 83 HA LYS 83 -9.998 5.975 0.045 659 HB2 LYS 83 1HB LYS 83 -12.275 4.093 0.668 660 HB3 LYS 83 2HB LYS 83 -12.324 5.281 -0.628 661 HG2 LYS 83 1HG LYS 83 -10.544 4.202 -1.786 662 HG3 LYS 83 2HG LYS 83 -10.230 3.131 -0.419 663 HD2 LYS 83 1HD LYS 83 -12.375 2.056 -0.723 664 HD3 LYS 83 2HD LYS 83 -12.792 3.186 -2.012 665 HE2 LYS 83 1HE LYS 83 -10.598 2.301 -3.109 666 HE3 LYS 83 2HE LYS 83 -10.826 0.934 -2.019 667 HZ1 LYS 83 3HZ LYS 83 -13.274 1.476 -3.253 668 HZ2 LYS 83 1HZ LYS 83 -12.294 0.109 -3.432 669 HZ3 LYS 83 2HZ LYS 83 -12.095 1.431 -4.466 670 H LYS 84 H LYS 84 -11.637 5.527 3.090 671 HA LYS 84 HA LYS 84 -13.453 7.675 2.917 672 HB2 LYS 84 1HB LYS 84 -13.184 5.711 4.670 673 HB3 LYS 84 2HB LYS 84 -12.243 6.916 5.540 674 HG2 LYS 84 1HG LYS 84 -14.118 8.397 5.648 675 HG3 LYS 84 2HG LYS 84 -15.064 7.353 4.585 676 HD2 LYS 84 1HD LYS 84 -15.863 6.824 6.706 677 HD3 LYS 84 2HD LYS 84 -14.684 5.548 6.390 678 HE2 LYS 84 1HE LYS 84 -13.090 6.525 7.813 679 HE3 LYS 84 2HE LYS 84 -13.941 8.068 7.845 680 HZ1 LYS 84 3HZ LYS 84 -15.345 5.717 8.867 681 HZ2 LYS 84 1HZ LYS 84 -15.422 7.328 9.378 682 HZ3 LYS 84 2HZ LYS 84 -14.105 6.363 9.820 683 H GLU 85 H GLU 85 -10.083 7.485 3.904 684 HA GLU 85 HA GLU 85 -10.045 10.278 4.705 685 HB2 GLU 85 1HB GLU 85 -7.795 8.265 4.551 686 HB3 GLU 85 2HB GLU 85 -7.694 9.865 5.271 687 HG2 GLU 85 1HG GLU 85 -8.893 9.266 7.121 688 HG3 GLU 85 2HG GLU 85 -9.764 7.986 6.278 689 H ARG 86 H ARG 86 -8.909 8.238 2.075 690 HA ARG 86 HA ARG 86 -7.124 9.676 0.704 691 HB2 ARG 86 1HB ARG 86 -7.872 7.707 -0.329 692 HB3 ARG 86 2HB ARG 86 -9.552 8.223 -0.302 693 HG2 ARG 86 1HG ARG 86 -9.224 9.729 -2.085 694 HG3 ARG 86 2HG ARG 86 -7.467 9.607 -1.960 695 HD2 ARG 86 1HD ARG 86 -7.576 7.271 -2.668 696 HD3 ARG 86 2HD ARG 86 -9.333 7.381 -2.774 697 HE ARG 86 HE ARG 86 -8.174 9.375 -4.386 698 HH11 ARG 86 1HH1 ARG 86 -8.591 5.921 -4.250 699 HH12 ARG 86 2HH1 ARG 86 -8.544 5.716 -5.970 700 HH21 ARG 86 1HH2 ARG 86 -8.110 9.118 -6.652 701 HH22 ARG 86 2HH2 ARG 86 -8.270 7.537 -7.336 702 H SER 87 H SER 87 -10.625 10.313 0.531 703 HA SER 87 HA SER 87 -10.190 12.765 -0.936 704 HB2 SER 87 1HB SER 87 -12.702 11.498 0.180 705 HB3 SER 87 2HB SER 87 -12.681 12.981 -0.773 706 HG SER 87 HG SER 87 -11.805 11.795 -2.495 707 H GLU 88 H GLU 88 -9.341 14.408 0.181 708 HA GLU 88 HA GLU 88 -10.566 15.081 2.777 709 HB2 GLU 88 1HB GLU 88 -7.772 15.888 2.028 710 HB3 GLU 88 2HB GLU 88 -8.501 15.794 3.626 711 HG2 GLU 88 1HG GLU 88 -8.346 13.462 3.687 712 HG3 GLU 88 2HG GLU 88 -8.069 13.349 1.949 713 H SER 89 H SER 89 -9.884 16.074 -0.398 714 HA SER 89 HA SER 89 -10.803 18.793 0.245 715 HB2 SER 89 1HB SER 89 -9.324 19.603 -1.640 716 HB3 SER 89 2HB SER 89 -8.463 19.042 -0.206 717 HG SER 89 HG SER 89 -8.320 18.130 -2.731 718 H GLY 90 H GLY 90 -11.499 15.989 -1.273 719 HA2 GLY 90 1HA GLY 90 -12.996 17.357 -3.425 720 HA3 GLY 90 2HA GLY 90 -12.352 15.729 -3.580 721 HA PRO 91 HA PRO 91 -16.828 15.559 -2.239 722 HB2 PRO 91 1HB PRO 91 -17.653 13.953 -4.267 723 HB3 PRO 91 2HB PRO 91 -17.625 15.716 -4.389 724 HG2 PRO 91 1HG PRO 91 -15.646 13.713 -5.408 725 HG3 PRO 91 2HG PRO 91 -16.287 15.161 -6.208 726 HD2 PRO 91 1HD PRO 91 -13.853 15.108 -5.023 727 HD3 PRO 91 2HD PRO 91 -14.856 16.571 -5.078 728 H SER 92 H SER 92 -17.496 14.005 -0.880 729 HA SER 92 HA SER 92 -16.269 11.336 -1.104 730 HB2 SER 92 1HB SER 92 -16.352 11.238 1.405 731 HB3 SER 92 2HB SER 92 -15.227 12.438 0.770 732 HG SER 92 HG SER 92 -17.164 12.847 2.473 733 H SER 93 H SER 93 -19.025 13.214 0.083 734 HA SER 93 HA SER 93 -20.690 11.193 0.938 735 HB2 SER 93 1HB SER 93 -21.277 13.832 -0.391 736 HB3 SER 93 2HB SER 93 -22.575 12.755 0.124 737 HG SER 93 HG SER 93 -20.783 14.246 1.643 738 H GLY 94 H GLY 94 -20.333 12.462 -2.366 739 HA2 GLY 94 1HA GLY 94 -20.859 9.926 -3.542 740 HA3 GLY 94 2HA GLY 94 -22.279 10.957 -3.640 Start of MODEL 12 1 H1 GLY 1 H GLY 1 10.624 23.757 11.946 2 HA2 GLY 1 1HA GLY 1 10.285 22.913 14.654 3 HA3 GLY 1 2HA GLY 1 10.123 24.555 14.049 4 H SER 2 H SER 2 8.315 21.677 13.064 5 HA SER 2 HA SER 2 5.828 23.076 13.319 6 HB2 SER 2 1HB SER 2 6.334 20.139 12.786 7 HB3 SER 2 2HB SER 2 4.808 20.990 12.545 8 HG SER 2 HG SER 2 5.613 21.989 10.815 9 H SER 3 H SER 3 4.446 23.103 14.976 10 HA SER 3 HA SER 3 5.202 21.874 17.461 11 HB2 SER 3 1HB SER 3 4.011 24.174 17.030 12 HB3 SER 3 2HB SER 3 2.544 23.196 17.039 13 HG SER 3 HG SER 3 3.689 22.352 19.115 14 H GLY 4 H GLY 4 4.298 20.152 18.482 15 HA2 GLY 4 1HA GLY 4 2.926 18.332 18.847 16 HA3 GLY 4 2HA GLY 4 1.810 18.992 17.660 17 H SER 5 H SER 5 2.989 16.241 18.174 18 HA SER 5 HA SER 5 3.928 15.766 15.421 19 HB2 SER 5 1HB SER 5 5.773 15.375 16.939 20 HB3 SER 5 2HB SER 5 4.764 14.354 17.964 21 HG SER 5 HG SER 5 4.781 12.788 16.443 22 H SER 6 H SER 6 2.566 14.600 14.253 23 HA SER 6 HA SER 6 0.591 12.924 15.637 24 HB2 SER 6 1HB SER 6 -0.047 14.814 13.964 25 HB3 SER 6 2HB SER 6 0.437 13.655 12.726 26 HG SER 6 HG SER 6 -1.691 13.533 14.551 27 H GLY 7 H GLY 7 2.530 12.887 12.638 28 HA2 GLY 7 1HA GLY 7 3.872 11.136 11.858 29 HA3 GLY 7 2HA GLY 7 3.236 10.110 13.136 30 H ILE 8 H ILE 8 0.700 9.822 12.831 31 HA ILE 8 HA ILE 8 0.170 8.032 10.927 32 HB ILE 8 HB ILE 8 -1.786 10.189 11.732 33 HG12 ILE 8 1HG1 ILE 8 -2.505 8.099 13.219 34 HG13 ILE 8 2HG1 ILE 8 -0.798 7.701 13.046 35 HG21 ILE 8 1HG2 ILE 8 -2.428 7.402 10.808 36 HG22 ILE 8 2HG2 ILE 8 -3.525 8.766 11.019 37 HG23 ILE 8 3HG2 ILE 8 -2.349 8.776 9.705 38 HD11 ILE 8 3HD1 ILE 8 -2.011 9.505 14.842 39 HD12 ILE 8 1HD1 ILE 8 -0.298 9.126 14.654 40 HD13 ILE 8 2HD1 ILE 8 -1.016 10.448 13.732 41 H VAL 9 H VAL 9 -0.403 7.912 8.792 42 HA VAL 9 HA VAL 9 -1.058 10.166 7.193 43 HB VAL 9 HB VAL 9 1.483 10.385 7.598 44 HG11 VAL 9 1HG1 VAL 9 1.507 7.782 6.760 45 HG12 VAL 9 2HG1 VAL 9 1.987 8.651 5.301 46 HG13 VAL 9 3HG1 VAL 9 2.906 8.855 6.792 47 HG21 VAL 9 3HG2 VAL 9 0.252 10.392 4.847 48 HG22 VAL 9 1HG2 VAL 9 0.381 11.742 5.976 49 HG23 VAL 9 2HG2 VAL 9 1.830 11.085 5.215 50 H LEU 10 H LEU 10 -1.603 9.601 5.049 51 HA LEU 10 HA LEU 10 -2.833 7.216 4.619 52 HB2 LEU 10 1HB LEU 10 -1.430 8.834 2.497 53 HB3 LEU 10 2HB LEU 10 -2.738 7.680 2.235 54 HG LEU 10 HG LEU 10 -3.094 10.154 3.909 55 HD11 LEU 10 1HD1 LEU 10 -4.345 10.730 1.578 56 HD12 LEU 10 2HD1 LEU 10 -2.912 9.887 0.991 57 HD13 LEU 10 3HD1 LEU 10 -2.739 11.310 2.018 58 HD21 LEU 10 3HD2 LEU 10 -5.461 9.784 3.332 59 HD22 LEU 10 1HD2 LEU 10 -4.762 8.429 4.218 60 HD23 LEU 10 2HD2 LEU 10 -5.005 8.312 2.475 61 H LEU 11 H LEU 11 0.567 7.939 4.181 62 HA LEU 11 HA LEU 11 1.362 5.728 2.693 63 HB2 LEU 11 1HB LEU 11 2.726 7.751 3.395 64 HB3 LEU 11 2HB LEU 11 2.975 6.924 4.932 65 HG LEU 11 HG LEU 11 3.710 5.512 2.411 66 HD11 LEU 11 1HD1 LEU 11 4.809 8.050 3.222 67 HD12 LEU 11 2HD1 LEU 11 5.147 7.083 1.786 68 HD13 LEU 11 3HD1 LEU 11 6.031 6.780 3.281 69 HD21 LEU 11 3HD2 LEU 11 5.657 5.024 4.181 70 HD22 LEU 11 1HD2 LEU 11 4.157 4.100 4.122 71 HD23 LEU 11 2HD2 LEU 11 4.344 5.403 5.296 72 H ARG 12 H ARG 12 0.851 6.060 6.170 73 HA ARG 12 HA ARG 12 1.928 3.846 7.249 74 HB2 ARG 12 1HB ARG 12 0.257 3.880 8.923 75 HB3 ARG 12 2HB ARG 12 0.401 5.542 8.366 76 HG2 ARG 12 1HG ARG 12 -1.571 5.109 6.875 77 HG3 ARG 12 2HG ARG 12 -1.766 3.566 7.710 78 HD2 ARG 12 1HD ARG 12 -1.555 6.071 9.313 79 HD3 ARG 12 2HD ARG 12 -3.074 5.702 8.498 80 HE ARG 12 HE ARG 12 -1.978 4.385 10.804 81 HH11 ARG 12 1HH1 ARG 12 -4.114 4.070 8.073 82 HH12 ARG 12 2HH1 ARG 12 -5.076 2.827 8.802 83 HH21 ARG 12 1HH2 ARG 12 -3.238 2.749 11.775 84 HH22 ARG 12 2HH2 ARG 12 -4.578 2.078 10.908 85 H GLY 13 H GLY 13 -0.698 3.917 4.965 86 HA2 GLY 13 1HA GLY 13 -1.991 1.553 5.230 87 HA3 GLY 13 2HA GLY 13 -1.526 2.195 3.662 88 H LEU 14 H LEU 14 1.314 1.956 4.085 89 HA LEU 14 HA LEU 14 1.635 -0.761 3.271 90 HB2 LEU 14 1HB LEU 14 3.849 1.120 4.035 91 HB3 LEU 14 2HB LEU 14 3.909 -0.234 2.910 92 HG LEU 14 HG LEU 14 2.164 2.124 2.319 93 HD11 LEU 14 1HD1 LEU 14 3.840 3.497 1.768 94 HD12 LEU 14 2HD1 LEU 14 4.828 2.190 1.116 95 HD13 LEU 14 3HD1 LEU 14 4.811 2.501 2.852 96 HD21 LEU 14 3HD2 LEU 14 2.552 1.451 0.033 97 HD22 LEU 14 1HD2 LEU 14 2.009 0.059 0.971 98 HD23 LEU 14 2HD2 LEU 14 3.714 0.230 0.555 99 H GLU 15 H GLU 15 3.213 1.019 5.934 100 HA GLU 15 HA GLU 15 4.271 -1.130 7.282 101 HB2 GLU 15 1HB GLU 15 4.338 1.482 7.731 102 HB3 GLU 15 2HB GLU 15 3.087 1.079 8.899 103 HG2 GLU 15 1HG GLU 15 4.853 -0.771 9.590 104 HG3 GLU 15 2HG GLU 15 5.970 0.402 8.894 105 H CYS 16 H CYS 16 0.975 -0.260 6.959 106 HA CYS 16 HA CYS 16 -0.089 -1.398 9.304 107 HB2 CYS 16 1HB CYS 16 -1.406 0.091 7.896 108 HB3 CYS 16 2HB CYS 16 -1.336 -1.061 6.568 109 HG CYS 16 HG CYS 16 -3.601 -0.796 8.858 110 H ILE 17 H ILE 17 0.202 -2.755 6.022 111 HA ILE 17 HA ILE 17 -0.670 -5.352 6.820 112 HB ILE 17 HB ILE 17 0.278 -6.033 4.555 113 HG12 ILE 17 1HG1 ILE 17 0.428 -3.073 4.038 114 HG13 ILE 17 2HG1 ILE 17 1.842 -3.966 4.588 115 HG21 ILE 17 1HG2 ILE 17 -1.901 -4.049 5.012 116 HG22 ILE 17 2HG2 ILE 17 -1.505 -4.535 3.364 117 HG23 ILE 17 3HG2 ILE 17 -2.003 -5.747 4.544 118 HD11 ILE 17 3HD1 ILE 17 2.141 -4.038 2.330 119 HD12 ILE 17 1HD1 ILE 17 1.236 -5.532 2.576 120 HD13 ILE 17 2HD1 ILE 17 0.411 -4.087 1.990 121 H ASN 18 H ASN 18 0.491 -7.164 7.297 122 HA ASN 18 HA ASN 18 3.081 -6.832 8.399 123 HB2 ASN 18 1HB ASN 18 1.770 -9.459 7.692 124 HB3 ASN 18 2HB ASN 18 2.986 -9.164 8.931 125 HD21 ASN 18 1HD2 ASN 18 2.346 -7.730 10.712 126 HD22 ASN 18 2HD2 ASN 18 0.711 -7.791 11.265 127 H LYS 19 H LYS 19 5.002 -8.080 7.783 128 HA LYS 19 HA LYS 19 5.929 -7.529 5.263 129 HB2 LYS 19 1HB LYS 19 6.756 -9.819 7.055 130 HB3 LYS 19 2HB LYS 19 7.684 -9.229 5.683 131 HG2 LYS 19 1HG LYS 19 6.945 -7.516 8.042 132 HG3 LYS 19 2HG LYS 19 8.453 -8.426 7.925 133 HD2 LYS 19 1HD LYS 19 7.627 -6.543 5.745 134 HD3 LYS 19 2HD LYS 19 8.426 -5.942 7.200 135 HE2 LYS 19 1HE LYS 19 10.183 -7.764 6.720 136 HE3 LYS 19 2HE LYS 19 9.475 -7.818 5.107 137 HZ1 LYS 19 3HZ LYS 19 10.300 -5.797 4.577 138 HZ2 LYS 19 1HZ LYS 19 11.460 -6.201 5.742 139 HZ3 LYS 19 2HZ LYS 19 10.170 -5.187 6.150 140 H HIS 20 H HIS 20 3.836 -10.087 6.233 141 HA HIS 20 HA HIS 20 4.308 -11.961 4.207 142 HB2 HIS 20 1HB HIS 20 2.948 -12.570 6.089 143 HB3 HIS 20 2HB HIS 20 1.792 -11.288 5.738 144 HD1 HIS 20 HD1 HIS 20 3.065 -14.503 4.164 145 HD2 HIS 20 HD2 HIS 20 -0.314 -12.085 4.221 146 HE1 HIS 20 HE1 HIS 20 1.326 -15.746 2.839 147 HE2 HIS 20 HE2 HIS 20 -0.682 -14.225 2.816 148 H TYR 21 H TYR 21 1.649 -9.583 4.345 149 HA TYR 21 HA TYR 21 1.001 -9.915 1.592 150 HB2 TYR 21 1HB TYR 21 0.129 -8.059 3.769 151 HB3 TYR 21 2HB TYR 21 -0.288 -7.679 2.102 152 HD1 TYR 21 HD1 TYR 21 -0.969 -10.178 0.893 153 HD2 TYR 21 HD2 TYR 21 -1.735 -8.862 4.866 154 HE1 TYR 21 HE1 TYR 21 -2.891 -11.706 1.022 155 HE2 TYR 21 HE2 TYR 21 -3.658 -10.389 5.007 156 HH TYR 21 HH TYR 21 -5.281 -11.489 3.031 157 H PHE 22 H PHE 22 2.856 -7.536 3.423 158 HA PHE 22 HA PHE 22 3.233 -5.562 1.554 159 HB2 PHE 22 1HB PHE 22 4.102 -5.369 3.813 160 HB3 PHE 22 2HB PHE 22 5.247 -6.673 3.518 161 HD1 PHE 22 HD1 PHE 22 4.321 -3.640 1.556 162 HD2 PHE 22 HD2 PHE 22 7.380 -5.826 3.551 163 HE1 PHE 22 HE1 PHE 22 5.986 -1.997 0.796 164 HE2 PHE 22 HE2 PHE 22 9.050 -4.186 2.794 165 HZ PHE 22 HZ PHE 22 8.354 -2.268 1.415 166 H SER 23 H SER 23 5.060 -8.586 1.883 167 HA SER 23 HA SER 23 7.015 -8.235 -0.001 168 HB2 SER 23 1HB SER 23 6.563 -10.270 1.499 169 HB3 SER 23 2HB SER 23 5.498 -10.833 0.212 170 HG SER 23 HG SER 23 7.178 -11.281 -0.993 171 H LEU 24 H LEU 24 3.669 -9.264 -0.556 172 HA LEU 24 HA LEU 24 3.871 -9.736 -3.310 173 HB2 LEU 24 1HB LEU 24 1.583 -8.954 -1.534 174 HB3 LEU 24 2HB LEU 24 1.369 -9.187 -3.267 175 HG LEU 24 HG LEU 24 2.508 -11.525 -2.691 176 HD11 LEU 24 1HD1 LEU 24 0.998 -10.865 -0.169 177 HD12 LEU 24 2HD1 LEU 24 2.756 -10.911 -0.296 178 HD13 LEU 24 3HD1 LEU 24 1.814 -12.378 -0.564 179 HD21 LEU 24 3HD2 LEU 24 0.429 -12.460 -2.989 180 HD22 LEU 24 1HD2 LEU 24 0.162 -10.834 -3.617 181 HD23 LEU 24 2HD2 LEU 24 -0.380 -11.250 -1.990 182 H PHE 25 H PHE 25 2.553 -6.853 -1.667 183 HA PHE 25 HA PHE 25 2.048 -5.214 -3.752 184 HB2 PHE 25 1HB PHE 25 1.881 -4.705 -1.253 185 HB3 PHE 25 2HB PHE 25 3.565 -4.199 -1.352 186 HD1 PHE 25 HD1 PHE 25 0.516 -3.666 -3.442 187 HD2 PHE 25 HD2 PHE 25 3.800 -1.926 -1.368 188 HE1 PHE 25 HE1 PHE 25 -0.204 -1.432 -4.182 189 HE2 PHE 25 HE2 PHE 25 3.085 0.310 -2.103 190 HZ PHE 25 HZ PHE 25 1.079 0.559 -3.511 191 H LYS 26 H LYS 26 5.249 -5.647 -2.267 192 HA LYS 26 HA LYS 26 6.694 -3.880 -3.841 193 HB2 LYS 26 1HB LYS 26 7.361 -6.354 -2.321 194 HB3 LYS 26 2HB LYS 26 8.565 -5.735 -3.443 195 HG2 LYS 26 1HG LYS 26 8.537 -3.581 -2.294 196 HG3 LYS 26 2HG LYS 26 7.325 -4.198 -1.169 197 HD2 LYS 26 1HD LYS 26 10.057 -5.419 -1.544 198 HD3 LYS 26 2HD LYS 26 9.666 -4.236 -0.293 199 HE2 LYS 26 1HE LYS 26 7.872 -5.800 0.493 200 HE3 LYS 26 2HE LYS 26 8.503 -6.996 -0.639 201 HZ1 LYS 26 3HZ LYS 26 9.700 -5.968 1.835 202 HZ2 LYS 26 1HZ LYS 26 10.727 -6.471 0.589 203 HZ3 LYS 26 2HZ LYS 26 9.617 -7.556 1.258 204 H SER 27 H SER 27 5.775 -7.228 -4.489 205 HA SER 27 HA SER 27 7.273 -7.493 -6.883 206 HB2 SER 27 1HB SER 27 5.078 -9.025 -5.561 207 HB3 SER 27 2HB SER 27 5.407 -9.346 -7.263 208 HG SER 27 HG SER 27 7.738 -9.385 -6.293 209 H LEU 28 H LEU 28 3.992 -6.432 -6.172 210 HA LEU 28 HA LEU 28 3.140 -6.302 -8.886 211 HB2 LEU 28 1HB LEU 28 2.036 -4.790 -6.528 212 HB3 LEU 28 2HB LEU 28 1.215 -5.132 -8.049 213 HG LEU 28 HG LEU 28 2.088 -7.323 -6.186 214 HD11 LEU 28 1HD1 LEU 28 -0.001 -5.371 -5.776 215 HD12 LEU 28 2HD1 LEU 28 0.587 -6.638 -4.699 216 HD13 LEU 28 3HD1 LEU 28 -0.654 -7.004 -5.897 217 HD21 LEU 28 3HD2 LEU 28 1.536 -8.314 -8.180 218 HD22 LEU 28 1HD2 LEU 28 0.350 -7.076 -8.595 219 HD23 LEU 28 2HD2 LEU 28 -0.037 -8.297 -7.382 220 H LEU 29 H LEU 29 4.893 -4.178 -6.783 221 HA LEU 29 HA LEU 29 4.589 -1.930 -8.629 222 HB2 LEU 29 1HB LEU 29 5.498 -2.246 -5.819 223 HB3 LEU 29 2HB LEU 29 6.167 -0.912 -6.755 224 HG LEU 29 HG LEU 29 4.312 -0.111 -5.461 225 HD11 LEU 29 1HD1 LEU 29 4.607 0.280 -8.132 226 HD12 LEU 29 2HD1 LEU 29 3.470 1.156 -7.107 227 HD13 LEU 29 3HD1 LEU 29 2.924 -0.237 -8.040 228 HD21 LEU 29 3HD2 LEU 29 1.998 -1.050 -6.034 229 HD22 LEU 29 1HD2 LEU 29 3.030 -2.000 -4.966 230 HD23 LEU 29 2HD2 LEU 29 2.866 -2.451 -6.663 231 H ALA 30 H ALA 30 6.699 -4.492 -7.959 232 HA ALA 30 HA ALA 30 9.241 -3.625 -8.318 233 HB1 ALA 30 3HB ALA 30 8.107 -5.997 -9.788 234 HB2 ALA 30 1HB ALA 30 9.779 -5.747 -9.285 235 HB3 ALA 30 2HB ALA 30 8.520 -5.996 -8.073 236 H ARG 31 H ARG 31 6.764 -3.897 -10.813 237 HA ARG 31 HA ARG 31 8.492 -3.299 -12.994 238 HB2 ARG 31 1HB ARG 31 6.118 -2.634 -14.004 239 HB3 ARG 31 2HB ARG 31 6.611 -4.309 -13.795 240 HG2 ARG 31 1HG ARG 31 5.213 -3.001 -11.533 241 HG3 ARG 31 2HG ARG 31 4.266 -3.406 -12.966 242 HD2 ARG 31 1HD ARG 31 6.084 -5.424 -11.704 243 HD3 ARG 31 2HD ARG 31 4.466 -5.142 -11.061 244 HE ARG 31 HE ARG 31 4.596 -5.668 -13.904 245 HH11 ARG 31 1HH1 ARG 31 4.187 -6.988 -10.708 246 HH12 ARG 31 2HH1 ARG 31 3.376 -8.416 -11.260 247 HH21 ARG 31 1HH2 ARG 31 3.530 -7.544 -14.643 248 HH22 ARG 31 2HH2 ARG 31 3.003 -8.732 -13.498 249 H ASP 32 H ASP 32 6.097 -1.355 -11.214 250 HA ASP 32 HA ASP 32 6.683 1.061 -12.578 251 HB2 ASP 32 1HB ASP 32 5.235 0.401 -10.027 252 HB3 ASP 32 2HB ASP 32 5.524 2.074 -10.492 253 H LEU 33 H LEU 33 7.390 0.148 -9.199 254 HA LEU 33 HA LEU 33 9.174 2.276 -8.739 255 HB2 LEU 33 1HB LEU 33 8.891 -0.395 -7.375 256 HB3 LEU 33 2HB LEU 33 9.920 0.909 -6.786 257 HG LEU 33 HG LEU 33 6.911 0.948 -7.008 258 HD11 LEU 33 1HD1 LEU 33 7.653 1.499 -4.417 259 HD12 LEU 33 2HD1 LEU 33 8.786 0.240 -4.903 260 HD13 LEU 33 3HD1 LEU 33 7.050 -0.045 -5.019 261 HD21 LEU 33 3HD2 LEU 33 7.407 3.134 -5.622 262 HD22 LEU 33 1HD2 LEU 33 7.380 3.154 -7.386 263 HD23 LEU 33 2HD2 LEU 33 8.920 3.090 -6.529 264 H ASN 34 H ASN 34 9.555 -0.712 -10.377 265 HA ASN 34 HA ASN 34 11.303 -1.584 -11.551 266 HB2 ASN 34 1HB ASN 34 11.750 0.975 -11.879 267 HB3 ASN 34 2HB ASN 34 13.077 0.699 -10.754 268 HD21 ASN 34 1HD2 ASN 34 14.517 1.262 -12.440 269 HD22 ASN 34 2HD2 ASN 34 14.916 0.126 -13.678 270 H LEU 35 H LEU 35 10.864 -2.296 -8.850 271 HA LEU 35 HA LEU 35 13.269 -2.344 -7.350 272 HB2 LEU 35 1HB LEU 35 10.964 -4.273 -7.166 273 HB3 LEU 35 2HB LEU 35 12.157 -3.917 -5.919 274 HG LEU 35 HG LEU 35 10.203 -1.871 -6.953 275 HD11 LEU 35 1HD1 LEU 35 9.792 -3.140 -4.314 276 HD12 LEU 35 2HD1 LEU 35 9.351 -4.090 -5.734 277 HD13 LEU 35 3HD1 LEU 35 8.617 -2.508 -5.468 278 HD21 LEU 35 3HD2 LEU 35 12.305 -1.135 -5.789 279 HD22 LEU 35 1HD2 LEU 35 11.718 -1.974 -4.353 280 HD23 LEU 35 2HD2 LEU 35 10.801 -0.623 -5.022 281 H GLU 36 H GLU 36 14.236 -4.523 -6.651 282 HA GLU 36 HA GLU 36 15.114 -5.873 -9.071 283 HB2 GLU 36 1HB GLU 36 16.068 -5.884 -6.217 284 HB3 GLU 36 2HB GLU 36 16.676 -7.037 -7.396 285 HG2 GLU 36 1HG GLU 36 17.801 -5.438 -8.590 286 HG3 GLU 36 2HG GLU 36 16.742 -4.136 -8.053 287 H ARG 37 H ARG 37 13.570 -7.295 -9.718 288 HA ARG 37 HA ARG 37 11.736 -8.747 -8.460 289 HB2 ARG 37 1HB ARG 37 13.635 -9.736 -10.588 290 HB3 ARG 37 2HB ARG 37 12.226 -10.648 -10.063 291 HG2 ARG 37 1HG ARG 37 10.827 -8.662 -10.691 292 HG3 ARG 37 2HG ARG 37 12.277 -7.965 -11.417 293 HD2 ARG 37 1HD ARG 37 11.231 -10.689 -12.149 294 HD3 ARG 37 2HD ARG 37 10.723 -9.217 -12.978 295 HE ARG 37 HE ARG 37 13.541 -9.374 -12.924 296 HH11 ARG 37 1HH1 ARG 37 10.762 -10.814 -14.448 297 HH12 ARG 37 2HH1 ARG 37 11.615 -11.245 -15.894 298 HH21 ARG 37 1HH2 ARG 37 14.675 -9.936 -14.822 299 HH22 ARG 37 2HH2 ARG 37 13.841 -10.746 -16.105 300 H ASP 38 H ASP 38 15.184 -9.358 -8.276 301 HA ASP 38 HA ASP 38 14.756 -11.715 -6.607 302 HB2 ASP 38 1HB ASP 38 16.473 -12.061 -8.194 303 HB3 ASP 38 2HB ASP 38 17.198 -10.488 -7.874 304 H ASN 39 H ASN 39 16.593 -8.662 -6.428 305 HA ASN 39 HA ASN 39 16.896 -8.932 -3.566 306 HB2 ASN 39 1HB ASN 39 18.514 -7.831 -5.359 307 HB3 ASN 39 2HB ASN 39 17.559 -6.396 -4.996 308 HD21 ASN 39 1HD2 ASN 39 18.694 -9.070 -2.967 309 HD22 ASN 39 2HD2 ASN 39 19.547 -8.077 -1.839 310 H GLN 40 H GLN 40 14.230 -8.908 -4.147 311 HA GLN 40 HA GLN 40 13.206 -6.218 -3.786 312 HB2 GLN 40 1HB GLN 40 12.068 -8.868 -4.441 313 HB3 GLN 40 2HB GLN 40 11.025 -7.794 -3.517 314 HG2 GLN 40 1HG GLN 40 10.845 -6.275 -5.218 315 HG3 GLN 40 2HG GLN 40 12.390 -6.728 -5.933 316 HE21 GLN 40 1HE2 GLN 40 10.307 -6.415 -7.581 317 HE22 GLN 40 2HE2 GLN 40 9.745 -7.941 -8.166 318 H GLU 41 H GLU 41 14.358 -8.669 -1.816 319 HA GLU 41 HA GLU 41 12.574 -8.260 0.408 320 HB2 GLU 41 1HB GLU 41 14.125 -9.726 1.634 321 HB3 GLU 41 2HB GLU 41 13.634 -10.430 0.100 322 HG2 GLU 41 1HG GLU 41 15.875 -10.871 0.088 323 HG3 GLU 41 2HG GLU 41 15.832 -9.336 -0.778 324 H GLN 42 H GLN 42 15.930 -7.385 -0.365 325 HA GLN 42 HA GLN 42 16.735 -6.157 1.926 326 HB2 GLN 42 1HB GLN 42 18.263 -4.874 0.627 327 HB3 GLN 42 2HB GLN 42 18.045 -6.404 -0.212 328 HG2 GLN 42 1HG GLN 42 16.874 -5.448 -1.942 329 HG3 GLN 42 2HG GLN 42 16.358 -4.070 -0.972 330 HE21 GLN 42 1HE2 GLN 42 17.511 -3.963 -3.566 331 HE22 GLN 42 2HE2 GLN 42 19.003 -3.100 -3.438 332 H TYR 43 H TYR 43 14.370 -5.008 -0.360 333 HA TYR 43 HA TYR 43 14.274 -2.327 0.631 334 HB2 TYR 43 1HB TYR 43 12.412 -3.932 -1.120 335 HB3 TYR 43 2HB TYR 43 12.100 -2.258 -0.677 336 HD1 TYR 43 HD1 TYR 43 14.666 -0.961 -0.898 337 HD2 TYR 43 HD2 TYR 43 12.982 -3.997 -3.359 338 HE1 TYR 43 HE1 TYR 43 16.058 -0.202 -2.777 339 HE2 TYR 43 HE2 TYR 43 14.372 -3.246 -5.245 340 HH TYR 43 HH TYR 43 16.726 -0.623 -4.863 341 H THR 44 H THR 44 12.625 -1.361 1.872 342 HA THR 44 HA THR 44 10.972 -3.221 3.445 343 HB THR 44 HB THR 44 11.363 -1.871 5.457 344 HG1 THR 44 HG1 THR 44 12.355 -0.128 3.722 345 HG21 THR 44 3HG2 THR 44 13.570 -2.654 5.960 346 HG22 THR 44 1HG2 THR 44 13.997 -2.713 4.250 347 HG23 THR 44 2HG2 THR 44 12.810 -3.842 4.902 348 H THR 45 H THR 45 9.223 -2.018 4.672 349 HA THR 45 HA THR 45 7.491 -0.753 2.946 350 HB THR 45 HB THR 45 6.400 0.181 5.081 351 HG1 THR 45 HG1 THR 45 8.424 0.031 6.301 352 HG21 THR 45 3HG2 THR 45 5.443 -1.760 4.196 353 HG22 THR 45 1HG2 THR 45 5.841 -2.215 5.852 354 HG23 THR 45 2HG2 THR 45 6.879 -2.729 4.523 355 H ILE 46 H ILE 46 10.124 0.604 4.754 356 HA ILE 46 HA ILE 46 9.277 3.334 4.521 357 HB ILE 46 HB ILE 46 11.905 2.074 5.281 358 HG12 ILE 46 1HG1 ILE 46 10.095 1.919 6.929 359 HG13 ILE 46 2HG1 ILE 46 11.367 2.999 7.493 360 HG21 ILE 46 1HG2 ILE 46 12.696 4.319 5.865 361 HG22 ILE 46 2HG2 ILE 46 12.389 4.162 4.135 362 HG23 ILE 46 3HG2 ILE 46 11.234 5.011 5.163 363 HD11 ILE 46 3HD1 ILE 46 9.855 4.569 7.826 364 HD12 ILE 46 1HD1 ILE 46 9.488 4.574 6.101 365 HD13 ILE 46 2HD1 ILE 46 8.593 3.513 7.189 366 H GLN 47 H GLN 47 12.189 1.762 3.191 367 HA GLN 47 HA GLN 47 12.887 3.632 1.334 368 HB2 GLN 47 1HB GLN 47 13.040 0.639 0.936 369 HB3 GLN 47 2HB GLN 47 13.998 1.846 0.088 370 HG2 GLN 47 1HG GLN 47 14.757 2.530 2.477 371 HG3 GLN 47 2HG GLN 47 14.193 0.919 2.914 372 HE21 GLN 47 1HE2 GLN 47 15.931 -0.294 3.169 373 HE22 GLN 47 2HE2 GLN 47 17.249 -0.420 2.058 374 H ILE 48 H ILE 48 10.580 0.973 0.874 375 HA ILE 48 HA ILE 48 9.990 1.505 -1.823 376 HB ILE 48 HB ILE 48 8.305 0.190 0.309 377 HG12 ILE 48 1HG1 ILE 48 10.489 -0.886 -0.326 378 HG13 ILE 48 2HG1 ILE 48 9.069 -1.884 -0.622 379 HG21 ILE 48 1HG2 ILE 48 6.607 0.407 -1.121 380 HG22 ILE 48 2HG2 ILE 48 7.664 0.959 -2.420 381 HG23 ILE 48 3HG2 ILE 48 7.451 -0.768 -2.129 382 HD11 ILE 48 3HD1 ILE 48 9.176 -1.492 -2.953 383 HD12 ILE 48 1HD1 ILE 48 10.389 -0.227 -2.751 384 HD13 ILE 48 2HD1 ILE 48 10.805 -1.910 -2.422 385 H ALA 49 H ALA 49 8.617 2.740 1.178 386 HA ALA 49 HA ALA 49 6.369 4.034 0.142 387 HB1 ALA 49 3HB ALA 49 7.756 3.936 2.628 388 HB2 ALA 49 1HB ALA 49 7.390 5.619 2.249 389 HB3 ALA 49 2HB ALA 49 6.093 4.424 2.307 390 H ASN 50 H ASN 50 9.483 5.558 1.008 391 HA ASN 50 HA ASN 50 9.068 8.057 -0.009 392 HB2 ASN 50 1HB ASN 50 11.609 6.418 -0.038 393 HB3 ASN 50 2HB ASN 50 11.554 8.141 -0.403 394 HD21 ASN 50 1HD2 ASN 50 11.070 5.720 2.071 395 HD22 ASN 50 2HD2 ASN 50 11.205 6.794 3.418 396 H MET 51 H MET 51 10.601 5.386 -1.816 397 HA MET 51 HA MET 51 10.939 6.533 -4.254 398 HB2 MET 51 1HB MET 51 10.271 3.768 -3.385 399 HB3 MET 51 2HB MET 51 10.142 4.129 -5.100 400 HG2 MET 51 1HG MET 51 12.517 5.078 -4.865 401 HG3 MET 51 2HG MET 51 12.560 4.193 -3.342 402 HE1 MET 51 3HE MET 51 13.758 1.938 -3.328 403 HE2 MET 51 1HE MET 51 12.031 1.607 -3.178 404 HE3 MET 51 2HE MET 51 13.030 0.612 -4.237 405 H MET 52 H MET 52 7.921 5.120 -3.028 406 HA MET 52 HA MET 52 6.409 5.614 -5.371 407 HB2 MET 52 1HB MET 52 5.642 5.087 -2.505 408 HB3 MET 52 2HB MET 52 4.439 5.356 -3.759 409 HG2 MET 52 1HG MET 52 5.463 3.454 -5.023 410 HG3 MET 52 2HG MET 52 6.449 3.130 -3.599 411 HE1 MET 52 3HE MET 52 2.692 3.735 -4.696 412 HE2 MET 52 1HE MET 52 3.326 2.268 -5.444 413 HE3 MET 52 2HE MET 52 2.044 2.159 -4.238 414 H GLU 53 H GLU 53 6.562 7.340 -2.255 415 HA GLU 53 HA GLU 53 4.793 9.357 -2.646 416 HB2 GLU 53 1HB GLU 53 7.485 9.338 -1.322 417 HB3 GLU 53 2HB GLU 53 6.541 10.819 -1.392 418 HG2 GLU 53 1HG GLU 53 4.649 9.298 -0.415 419 HG3 GLU 53 2HG GLU 53 6.009 8.299 0.096 420 H GLU 54 H GLU 54 7.819 8.904 -4.287 421 HA GLU 54 HA GLU 54 7.665 11.554 -5.513 422 HB2 GLU 54 1HB GLU 54 9.878 11.242 -5.032 423 HB3 GLU 54 2HB GLU 54 9.779 9.495 -5.198 424 HG2 GLU 54 1HG GLU 54 10.195 9.540 -7.432 425 HG3 GLU 54 2HG GLU 54 9.462 11.128 -7.650 426 H LYS 55 H LYS 55 7.581 8.128 -6.368 427 HA LYS 55 HA LYS 55 7.479 8.362 -9.140 428 HB2 LYS 55 1HB LYS 55 7.782 6.213 -8.068 429 HB3 LYS 55 2HB LYS 55 6.192 6.318 -7.325 430 HG2 LYS 55 1HG LYS 55 5.786 4.907 -9.085 431 HG3 LYS 55 2HG LYS 55 5.354 6.468 -9.785 432 HD2 LYS 55 1HD LYS 55 7.481 6.617 -10.899 433 HD3 LYS 55 2HD LYS 55 8.056 5.161 -10.083 434 HE2 LYS 55 1HE LYS 55 7.449 4.409 -12.206 435 HE3 LYS 55 2HE LYS 55 6.064 3.990 -11.199 436 HZ1 LYS 55 3HZ LYS 55 5.407 4.997 -13.311 437 HZ2 LYS 55 1HZ LYS 55 6.255 6.406 -12.916 438 HZ3 LYS 55 2HZ LYS 55 4.914 5.939 -11.997 439 H PHE 56 H PHE 56 4.714 7.960 -6.918 440 HA PHE 56 HA PHE 56 3.006 9.200 -8.970 441 HB2 PHE 56 1HB PHE 56 1.863 7.710 -6.646 442 HB3 PHE 56 2HB PHE 56 1.234 7.885 -8.281 443 HD1 PHE 56 HD1 PHE 56 3.523 6.028 -6.119 444 HD2 PHE 56 HD2 PHE 56 1.960 6.425 -10.059 445 HE1 PHE 56 HE1 PHE 56 4.434 3.817 -6.700 446 HE2 PHE 56 HE2 PHE 56 2.868 4.215 -10.645 447 HZ PHE 56 HZ PHE 56 4.106 2.908 -8.965 448 HA PRO 57 HA PRO 57 3.295 12.412 -5.697 449 HB2 PRO 57 1HB PRO 57 3.111 14.492 -7.432 450 HB3 PRO 57 2HB PRO 57 4.637 13.680 -7.065 451 HG2 PRO 57 1HG PRO 57 2.815 13.315 -9.411 452 HG3 PRO 57 2HG PRO 57 4.585 13.417 -9.374 453 HD2 PRO 57 1HD PRO 57 3.266 11.061 -9.566 454 HD3 PRO 57 2HD PRO 57 4.825 11.217 -8.731 455 H ALA 58 H ALA 58 0.939 11.246 -7.735 456 HA ALA 58 HA ALA 58 -1.039 13.305 -7.304 457 HB1 ALA 58 3HB ALA 58 -1.296 10.537 -8.472 458 HB2 ALA 58 1HB ALA 58 -2.568 11.760 -8.454 459 HB3 ALA 58 2HB ALA 58 -1.086 12.040 -9.369 460 H ASP 59 H ASP 59 -0.730 9.887 -6.324 461 HA ASP 59 HA ASP 59 -2.423 10.509 -3.993 462 HB2 ASP 59 1HB ASP 59 -2.938 8.003 -4.046 463 HB3 ASP 59 2HB ASP 59 -3.666 8.994 -5.306 464 H SER 60 H SER 60 0.650 9.663 -5.006 465 HA SER 60 HA SER 60 2.549 9.044 -3.917 466 HB2 SER 60 1HB SER 60 0.840 9.659 -1.499 467 HB3 SER 60 2HB SER 60 2.558 9.270 -1.409 468 HG SER 60 HG SER 60 2.790 11.084 -2.970 469 H GLY 61 H GLY 61 0.539 7.064 -4.684 470 HA2 GLY 61 1HA GLY 61 0.736 4.723 -4.625 471 HA3 GLY 61 2HA GLY 61 1.590 4.854 -3.095 472 H LEU 62 H LEU 62 -0.683 6.766 -2.266 473 HA LEU 62 HA LEU 62 -2.077 5.192 -0.570 474 HB2 LEU 62 1HB LEU 62 -2.462 7.459 -0.333 475 HB3 LEU 62 2HB LEU 62 -2.841 7.674 -2.040 476 HG LEU 62 HG LEU 62 -4.995 6.470 -1.635 477 HD11 LEU 62 1HD1 LEU 62 -5.019 5.255 0.250 478 HD12 LEU 62 2HD1 LEU 62 -5.493 6.773 1.012 479 HD13 LEU 62 3HD1 LEU 62 -3.805 6.262 1.040 480 HD21 LEU 62 3HD2 LEU 62 -6.008 8.437 -1.250 481 HD22 LEU 62 1HD2 LEU 62 -4.371 9.091 -1.311 482 HD23 LEU 62 2HD2 LEU 62 -5.116 8.723 0.245 483 H GLY 63 H GLY 63 -3.005 5.871 -3.935 484 HA2 GLY 63 1HA GLY 63 -5.346 4.248 -3.862 485 HA3 GLY 63 2HA GLY 63 -4.559 4.867 -5.305 486 H LYS 64 H LYS 64 -2.255 3.732 -5.567 487 HA LYS 64 HA LYS 64 -2.615 1.228 -6.535 488 HB2 LYS 64 1HB LYS 64 -0.513 2.793 -6.523 489 HB3 LYS 64 2HB LYS 64 -0.032 1.820 -5.140 490 HG2 LYS 64 1HG LYS 64 1.004 0.850 -7.013 491 HG3 LYS 64 2HG LYS 64 -0.352 -0.206 -6.612 492 HD2 LYS 64 1HD LYS 64 -1.574 0.439 -8.460 493 HD3 LYS 64 2HD LYS 64 -0.741 1.989 -8.599 494 HE2 LYS 64 1HE LYS 64 0.110 0.780 -10.387 495 HE3 LYS 64 2HE LYS 64 1.339 0.559 -9.143 496 HZ1 LYS 64 3HZ LYS 64 -0.847 -1.388 -9.602 497 HZ2 LYS 64 1HZ LYS 64 0.563 -1.605 -8.692 498 HZ3 LYS 64 2HZ LYS 64 0.652 -1.496 -10.377 499 H LEU 65 H LEU 65 -1.933 2.088 -3.193 500 HA LEU 65 HA LEU 65 -1.537 -0.576 -2.276 501 HB2 LEU 65 1HB LEU 65 -0.709 1.428 -1.099 502 HB3 LEU 65 2HB LEU 65 -2.373 1.868 -0.721 503 HG LEU 65 HG LEU 65 -1.012 0.783 1.129 504 HD11 LEU 65 1HD1 LEU 65 -2.949 0.178 2.078 505 HD12 LEU 65 2HD1 LEU 65 -3.344 -0.956 0.787 506 HD13 LEU 65 3HD1 LEU 65 -3.677 0.763 0.581 507 HD21 LEU 65 3HD2 LEU 65 -0.088 -0.968 -0.487 508 HD22 LEU 65 1HD2 LEU 65 -1.643 -1.778 -0.304 509 HD23 LEU 65 2HD2 LEU 65 -0.612 -1.523 1.104 510 H ILE 66 H ILE 66 -4.274 1.680 -1.878 511 HA ILE 66 HA ILE 66 -6.080 0.163 -0.563 512 HB ILE 66 HB ILE 66 -6.521 2.021 -2.886 513 HG12 ILE 66 1HG1 ILE 66 -7.420 2.382 -0.041 514 HG13 ILE 66 2HG1 ILE 66 -5.758 2.728 -0.504 515 HG21 ILE 66 1HG2 ILE 66 -8.634 0.652 -1.227 516 HG22 ILE 66 2HG2 ILE 66 -8.923 1.973 -2.357 517 HG23 ILE 66 3HG2 ILE 66 -8.338 0.418 -2.949 518 HD11 ILE 66 3HD1 ILE 66 -8.156 3.978 -1.815 519 HD12 ILE 66 1HD1 ILE 66 -7.265 4.704 -0.477 520 HD13 ILE 66 2HD1 ILE 66 -6.463 4.423 -2.023 521 H GLU 67 H GLU 67 -5.730 0.124 -4.115 522 HA GLU 67 HA GLU 67 -7.552 -1.857 -4.704 523 HB2 GLU 67 1HB GLU 67 -4.917 -1.203 -6.024 524 HB3 GLU 67 2HB GLU 67 -6.072 -2.346 -6.697 525 HG2 GLU 67 1HG GLU 67 -6.777 0.504 -6.066 526 HG3 GLU 67 2HG GLU 67 -6.141 -0.008 -7.628 527 H PHE 68 H PHE 68 -4.088 -2.273 -3.995 528 HA PHE 68 HA PHE 68 -3.904 -5.012 -4.243 529 HB2 PHE 68 1HB PHE 68 -1.908 -3.756 -3.899 530 HB3 PHE 68 2HB PHE 68 -2.492 -3.117 -2.367 531 HD1 PHE 68 HD1 PHE 68 -1.638 -6.344 -4.018 532 HD2 PHE 68 HD2 PHE 68 -1.815 -4.109 -0.399 533 HE1 PHE 68 HE1 PHE 68 -0.517 -8.184 -2.830 534 HE2 PHE 68 HE2 PHE 68 -0.694 -5.945 0.793 535 HZ PHE 68 HZ PHE 68 -0.043 -7.986 -0.422 536 H CYS 69 H CYS 69 -5.262 -3.121 -1.634 537 HA CYS 69 HA CYS 69 -5.517 -5.381 0.143 538 HB2 CYS 69 1HB CYS 69 -6.466 -2.522 0.266 539 HB3 CYS 69 2HB CYS 69 -6.913 -3.709 1.485 540 HG CYS 69 HG CYS 69 -3.664 -2.941 0.749 541 H GLU 70 H GLU 70 -7.474 -3.722 -2.215 542 HA GLU 70 HA GLU 70 -9.999 -4.699 -1.416 543 HB2 GLU 70 1HB GLU 70 -8.973 -3.782 -4.104 544 HB3 GLU 70 2HB GLU 70 -10.654 -4.189 -3.795 545 HG2 GLU 70 1HG GLU 70 -10.757 -2.430 -2.091 546 HG3 GLU 70 2HG GLU 70 -9.083 -2.006 -2.445 547 H GLU 71 H GLU 71 -7.650 -5.888 -3.803 548 HA GLU 71 HA GLU 71 -9.085 -8.039 -4.797 549 HB2 GLU 71 1HB GLU 71 -7.097 -8.797 -5.713 550 HB3 GLU 71 2HB GLU 71 -6.750 -7.094 -5.456 551 HG2 GLU 71 1HG GLU 71 -5.708 -7.772 -3.257 552 HG3 GLU 71 2HG GLU 71 -5.829 -9.437 -3.824 553 H VAL 72 H VAL 72 -7.418 -7.686 -1.758 554 HA VAL 72 HA VAL 72 -7.810 -10.518 -1.123 555 HB VAL 72 HB VAL 72 -6.552 -8.563 0.765 556 HG11 VAL 72 1HG1 VAL 72 -6.775 -10.658 1.744 557 HG12 VAL 72 2HG1 VAL 72 -6.404 -11.510 0.243 558 HG13 VAL 72 3HG1 VAL 72 -5.123 -10.682 1.130 559 HG21 VAL 72 3HG2 VAL 72 -5.493 -9.430 -1.853 560 HG22 VAL 72 1HG2 VAL 72 -5.141 -7.984 -0.906 561 HG23 VAL 72 2HG2 VAL 72 -4.379 -9.519 -0.490 562 HA PRO 73 HA PRO 73 -11.531 -9.549 1.081 563 HB2 PRO 73 1HB PRO 73 -11.829 -11.960 2.292 564 HB3 PRO 73 2HB PRO 73 -12.190 -11.693 0.582 565 HG2 PRO 73 1HG PRO 73 -9.744 -12.876 1.840 566 HG3 PRO 73 2HG PRO 73 -10.637 -13.414 0.405 567 HD2 PRO 73 1HD PRO 73 -8.343 -11.984 0.243 568 HD3 PRO 73 2HD PRO 73 -9.644 -11.842 -0.957 569 H ALA 74 H ALA 74 -8.506 -10.368 2.471 570 HA ALA 74 HA ALA 74 -9.450 -9.932 5.203 571 HB1 ALA 74 3HB ALA 74 -6.868 -10.344 5.592 572 HB2 ALA 74 1HB ALA 74 -7.988 -11.679 5.316 573 HB3 ALA 74 2HB ALA 74 -6.990 -11.076 3.991 574 H LEU 75 H LEU 75 -8.031 -8.224 2.622 575 HA LEU 75 HA LEU 75 -7.006 -6.138 4.418 576 HB2 LEU 75 1HB LEU 75 -6.578 -6.558 1.464 577 HB3 LEU 75 2HB LEU 75 -5.895 -5.237 2.410 578 HG LEU 75 HG LEU 75 -5.257 -8.172 2.713 579 HD11 LEU 75 1HD1 LEU 75 -3.505 -5.905 1.783 580 HD12 LEU 75 2HD1 LEU 75 -4.327 -7.030 0.703 581 HD13 LEU 75 3HD1 LEU 75 -3.107 -7.623 1.829 582 HD21 LEU 75 3HD2 LEU 75 -4.417 -5.748 4.275 583 HD22 LEU 75 1HD2 LEU 75 -3.442 -7.217 4.225 584 HD23 LEU 75 2HD2 LEU 75 -5.083 -7.269 4.870 585 H ARG 76 H ARG 76 -9.458 -6.853 2.082 586 HA ARG 76 HA ARG 76 -10.270 -4.483 1.065 587 HB2 ARG 76 1HB ARG 76 -11.758 -6.865 2.051 588 HB3 ARG 76 2HB ARG 76 -12.691 -5.426 1.665 589 HG2 ARG 76 1HG ARG 76 -11.675 -5.427 -0.592 590 HG3 ARG 76 2HG ARG 76 -10.868 -6.944 -0.188 591 HD2 ARG 76 1HD ARG 76 -12.856 -8.136 -0.136 592 HD3 ARG 76 2HD ARG 76 -13.831 -6.690 0.121 593 HE ARG 76 HE ARG 76 -12.518 -6.658 -2.411 594 HH11 ARG 76 1HH1 ARG 76 -15.249 -7.957 -0.685 595 HH12 ARG 76 2HH1 ARG 76 -16.218 -8.158 -2.107 596 HH21 ARG 76 1HH2 ARG 76 -13.785 -6.917 -4.290 597 HH22 ARG 76 2HH2 ARG 76 -15.384 -7.566 -4.157 598 H LYS 77 H LYS 77 -10.565 -5.515 4.401 599 HA LYS 77 HA LYS 77 -12.340 -3.538 5.308 600 HB2 LYS 77 1HB LYS 77 -11.447 -5.657 6.504 601 HB3 LYS 77 2HB LYS 77 -10.111 -4.628 7.004 602 HG2 LYS 77 1HG LYS 77 -11.485 -3.269 8.304 603 HG3 LYS 77 2HG LYS 77 -12.953 -3.821 7.495 604 HD2 LYS 77 1HD LYS 77 -12.814 -5.961 8.549 605 HD3 LYS 77 2HD LYS 77 -11.208 -5.603 9.188 606 HE2 LYS 77 1HE LYS 77 -12.547 -5.232 11.031 607 HE3 LYS 77 2HE LYS 77 -12.411 -3.611 10.351 608 HZ1 LYS 77 3HZ LYS 77 -14.606 -5.007 9.216 609 HZ2 LYS 77 1HZ LYS 77 -14.590 -3.532 10.043 610 HZ3 LYS 77 2HZ LYS 77 -14.731 -4.982 10.902 611 H ARG 78 H ARG 78 -8.807 -3.575 5.069 612 HA ARG 78 HA ARG 78 -8.476 -0.988 6.236 613 HB2 ARG 78 1HB ARG 78 -6.638 -2.772 4.642 614 HB3 ARG 78 2HB ARG 78 -6.141 -1.199 5.251 615 HG2 ARG 78 1HG ARG 78 -7.274 -3.258 7.101 616 HG3 ARG 78 2HG ARG 78 -5.578 -3.309 6.615 617 HD2 ARG 78 1HD ARG 78 -5.273 -1.028 7.447 618 HD3 ARG 78 2HD ARG 78 -6.970 -0.975 7.925 619 HE ARG 78 HE ARG 78 -5.741 -3.187 9.143 620 HH11 ARG 78 1HH1 ARG 78 -5.737 0.292 9.270 621 HH12 ARG 78 2HH1 ARG 78 -5.296 0.360 10.945 622 HH21 ARG 78 1HH2 ARG 78 -5.160 -3.110 11.348 623 HH22 ARG 78 2HH2 ARG 78 -4.967 -1.576 12.125 624 H ALA 79 H ALA 79 -8.541 -2.234 2.922 625 HA ALA 79 HA ALA 79 -7.789 -0.087 1.441 626 HB1 ALA 79 3HB ALA 79 -9.447 -2.398 1.014 627 HB2 ALA 79 1HB ALA 79 -10.074 -1.011 0.124 628 HB3 ALA 79 2HB ALA 79 -8.409 -1.537 -0.122 629 H GLU 80 H GLU 80 -11.236 -0.678 2.154 630 HA GLU 80 HA GLU 80 -12.245 1.742 1.371 631 HB2 GLU 80 1HB GLU 80 -14.078 1.352 3.017 632 HB3 GLU 80 2HB GLU 80 -13.718 -0.046 2.014 633 HG2 GLU 80 1HG GLU 80 -12.415 -1.017 3.845 634 HG3 GLU 80 2HG GLU 80 -12.808 0.376 4.852 635 H ILE 81 H ILE 81 -11.004 0.916 4.599 636 HA ILE 81 HA ILE 81 -11.500 3.312 5.893 637 HB ILE 81 HB ILE 81 -9.143 1.459 6.252 638 HG12 ILE 81 1HG1 ILE 81 -11.666 1.665 7.899 639 HG13 ILE 81 2HG1 ILE 81 -11.484 0.534 6.563 640 HG21 ILE 81 1HG2 ILE 81 -9.709 4.017 7.424 641 HG22 ILE 81 2HG2 ILE 81 -9.745 2.759 8.659 642 HG23 ILE 81 3HG2 ILE 81 -8.311 2.966 7.654 643 HD11 ILE 81 3HD1 ILE 81 -10.814 0.111 9.216 644 HD12 ILE 81 1HD1 ILE 81 -10.384 -0.902 7.838 645 HD13 ILE 81 2HD1 ILE 81 -9.270 0.346 8.398 646 H LEU 82 H LEU 82 -8.861 2.448 3.728 647 HA LEU 82 HA LEU 82 -7.366 4.842 4.177 648 HB2 LEU 82 1HB LEU 82 -7.253 2.881 1.890 649 HB3 LEU 82 2HB LEU 82 -6.063 4.137 2.225 650 HG LEU 82 HG LEU 82 -6.663 1.915 4.164 651 HD11 LEU 82 1HD1 LEU 82 -5.946 0.816 2.173 652 HD12 LEU 82 2HD1 LEU 82 -4.575 0.868 3.281 653 HD13 LEU 82 3HD1 LEU 82 -4.654 1.990 1.922 654 HD21 LEU 82 3HD2 LEU 82 -5.338 4.231 4.561 655 HD22 LEU 82 1HD2 LEU 82 -4.021 3.204 3.990 656 HD23 LEU 82 2HD2 LEU 82 -4.964 2.726 5.402 657 H LYS 83 H LYS 83 -10.067 3.997 2.229 658 HA LYS 83 HA LYS 83 -9.730 6.083 0.282 659 HB2 LYS 83 1HB LYS 83 -12.207 4.488 0.962 660 HB3 LYS 83 2HB LYS 83 -11.955 5.453 -0.487 661 HG2 LYS 83 1HG LYS 83 -9.945 3.910 -0.914 662 HG3 LYS 83 2HG LYS 83 -10.696 2.849 0.280 663 HD2 LYS 83 1HD LYS 83 -12.397 3.905 -1.918 664 HD3 LYS 83 2HD LYS 83 -11.227 2.641 -2.308 665 HE2 LYS 83 1HE LYS 83 -12.180 1.213 -0.578 666 HE3 LYS 83 2HE LYS 83 -13.324 2.482 -0.145 667 HZ1 LYS 83 3HZ LYS 83 -14.438 2.253 -2.182 668 HZ2 LYS 83 1HZ LYS 83 -14.175 0.668 -1.650 669 HZ3 LYS 83 2HZ LYS 83 -13.200 1.325 -2.866 670 H LYS 84 H LYS 84 -11.675 5.618 3.202 671 HA LYS 84 HA LYS 84 -13.322 7.795 3.152 672 HB2 LYS 84 1HB LYS 84 -13.474 6.239 4.960 673 HB3 LYS 84 2HB LYS 84 -11.829 6.582 5.476 674 HG2 LYS 84 1HG LYS 84 -12.994 7.783 7.020 675 HG3 LYS 84 2HG LYS 84 -12.779 9.015 5.775 676 HD2 LYS 84 1HD LYS 84 -15.028 9.221 6.211 677 HD3 LYS 84 2HD LYS 84 -15.052 8.063 4.878 678 HE2 LYS 84 1HE LYS 84 -14.895 7.062 7.685 679 HE3 LYS 84 2HE LYS 84 -16.443 7.629 7.059 680 HZ1 LYS 84 3HZ LYS 84 -14.835 5.319 6.216 681 HZ2 LYS 84 1HZ LYS 84 -15.850 6.068 5.090 682 HZ3 LYS 84 2HZ LYS 84 -16.497 5.420 6.512 683 H GLU 85 H GLU 85 -9.915 7.731 4.122 684 HA GLU 85 HA GLU 85 -9.837 10.520 4.767 685 HB2 GLU 85 1HB GLU 85 -7.595 8.553 4.269 686 HB3 GLU 85 2HB GLU 85 -7.390 10.177 4.913 687 HG2 GLU 85 1HG GLU 85 -8.464 9.636 6.925 688 HG3 GLU 85 2HG GLU 85 -9.136 8.148 6.262 689 H ARG 86 H ARG 86 -8.900 8.551 1.988 690 HA ARG 86 HA ARG 86 -7.474 10.259 0.443 691 HB2 ARG 86 1HB ARG 86 -8.006 8.031 -0.319 692 HB3 ARG 86 2HB ARG 86 -9.715 8.433 -0.432 693 HG2 ARG 86 1HG ARG 86 -9.281 9.955 -2.254 694 HG3 ARG 86 2HG ARG 86 -7.543 9.686 -2.098 695 HD2 ARG 86 1HD ARG 86 -7.654 7.567 -2.993 696 HD3 ARG 86 2HD ARG 86 -9.343 7.349 -2.532 697 HE ARG 86 HE ARG 86 -9.034 9.400 -4.485 698 HH11 ARG 86 1HH1 ARG 86 -9.155 5.947 -4.053 699 HH12 ARG 86 2HH1 ARG 86 -9.714 5.634 -5.663 700 HH21 ARG 86 1HH2 ARG 86 -9.770 9.001 -6.607 701 HH22 ARG 86 2HH2 ARG 86 -10.064 7.371 -7.115 702 H SER 87 H SER 87 -11.034 10.157 0.564 703 HA SER 87 HA SER 87 -11.193 12.636 -0.944 704 HB2 SER 87 1HB SER 87 -12.779 10.536 -1.086 705 HB3 SER 87 2HB SER 87 -13.588 11.313 0.276 706 HG SER 87 HG SER 87 -12.983 12.752 -2.073 707 H GLU 88 H GLU 88 -12.147 14.546 -0.178 708 HA GLU 88 HA GLU 88 -11.943 14.873 2.729 709 HB2 GLU 88 1HB GLU 88 -12.095 17.380 1.997 710 HB3 GLU 88 2HB GLU 88 -10.591 16.493 1.795 711 HG2 GLU 88 1HG GLU 88 -10.759 16.439 -0.477 712 HG3 GLU 88 2HG GLU 88 -12.520 16.502 -0.460 713 H SER 89 H SER 89 -13.998 13.942 3.187 714 HA SER 89 HA SER 89 -16.293 13.856 3.336 715 HB2 SER 89 1HB SER 89 -15.415 15.733 4.889 716 HB3 SER 89 2HB SER 89 -16.116 16.839 3.707 717 HG SER 89 HG SER 89 -17.642 16.400 5.288 718 H GLY 90 H GLY 90 -15.546 13.973 0.654 719 HA2 GLY 90 1HA GLY 90 -17.646 15.721 -0.478 720 HA3 GLY 90 2HA GLY 90 -16.147 15.348 -1.319 721 HA PRO 91 HA PRO 91 -19.681 12.192 -2.105 722 HB2 PRO 91 1HB PRO 91 -20.776 13.243 -4.356 723 HB3 PRO 91 2HB PRO 91 -21.370 13.617 -2.734 724 HG2 PRO 91 1HG PRO 91 -19.548 15.208 -4.498 725 HG3 PRO 91 2HG PRO 91 -20.906 15.763 -3.501 726 HD2 PRO 91 1HD PRO 91 -18.326 16.012 -2.718 727 HD3 PRO 91 2HD PRO 91 -19.653 15.754 -1.567 728 H SER 92 H SER 92 -19.600 10.618 -3.756 729 HA SER 92 HA SER 92 -17.878 10.985 -6.039 730 HB2 SER 92 1HB SER 92 -17.073 9.175 -3.757 731 HB3 SER 92 2HB SER 92 -16.425 9.006 -5.389 732 HG SER 92 HG SER 92 -15.014 10.386 -4.613 733 H SER 93 H SER 93 -17.810 9.028 -7.415 734 HA SER 93 HA SER 93 -20.416 7.744 -7.393 735 HB2 SER 93 1HB SER 93 -20.103 7.338 -9.644 736 HB3 SER 93 2HB SER 93 -19.072 8.754 -9.441 737 HG SER 93 HG SER 93 -17.417 6.972 -8.934 738 H GLY 94 H GLY 94 -17.343 7.067 -6.232 739 HA2 GLY 94 1HA GLY 94 -16.327 5.164 -5.442 740 HA3 GLY 94 2HA GLY 94 -17.963 4.577 -5.187 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -11.301 -4.538 20.303 2 HA2 GLY 1 1HA GLY 1 -12.285 -2.781 18.964 3 HA3 GLY 1 2HA GLY 1 -13.792 -3.031 19.833 4 H SER 2 H SER 2 -10.481 -2.651 21.059 5 HA SER 2 HA SER 2 -11.403 -0.728 23.003 6 HB2 SER 2 1HB SER 2 -9.023 -0.741 23.755 7 HB3 SER 2 2HB SER 2 -9.740 -2.351 23.696 8 HG SER 2 HG SER 2 -7.820 -2.571 22.687 9 H SER 3 H SER 3 -10.474 1.387 23.276 10 HA SER 3 HA SER 3 -10.341 2.832 20.815 11 HB2 SER 3 1HB SER 3 -11.381 3.814 22.805 12 HB3 SER 3 2HB SER 3 -9.838 3.758 23.655 13 HG SER 3 HG SER 3 -10.583 5.794 22.480 14 H GLY 4 H GLY 4 -8.617 3.675 19.758 15 HA2 GLY 4 1HA GLY 4 -5.960 2.950 20.818 16 HA3 GLY 4 2HA GLY 4 -6.350 3.092 19.110 17 H SER 5 H SER 5 -5.954 4.969 18.109 18 HA SER 5 HA SER 5 -5.920 7.475 19.527 19 HB2 SER 5 1HB SER 5 -3.575 8.016 19.064 20 HB3 SER 5 2HB SER 5 -3.688 6.586 20.090 21 HG SER 5 HG SER 5 -3.384 6.498 17.271 22 H SER 6 H SER 6 -5.635 9.305 18.106 23 HA SER 6 HA SER 6 -6.683 8.759 15.461 24 HB2 SER 6 1HB SER 6 -6.097 11.375 16.868 25 HB3 SER 6 2HB SER 6 -6.891 11.228 15.301 26 HG SER 6 HG SER 6 -8.607 11.199 16.549 27 H GLY 7 H GLY 7 -4.110 7.773 15.716 28 HA2 GLY 7 1HA GLY 7 -2.361 9.725 14.402 29 HA3 GLY 7 2HA GLY 7 -1.863 8.181 15.078 30 H ILE 8 H ILE 8 -3.237 9.803 12.321 31 HA ILE 8 HA ILE 8 -2.803 7.354 10.742 32 HB ILE 8 HB ILE 8 -4.984 9.404 10.332 33 HG12 ILE 8 1HG1 ILE 8 -5.255 6.460 10.948 34 HG13 ILE 8 2HG1 ILE 8 -5.267 7.703 12.194 35 HG21 ILE 8 1HG2 ILE 8 -5.546 7.293 8.688 36 HG22 ILE 8 2HG2 ILE 8 -4.804 8.809 8.183 37 HG23 ILE 8 3HG2 ILE 8 -3.792 7.415 8.558 38 HD11 ILE 8 3HD1 ILE 8 -7.322 8.492 11.577 39 HD12 ILE 8 1HD1 ILE 8 -7.158 7.939 9.911 40 HD13 ILE 8 2HD1 ILE 8 -7.494 6.779 11.197 41 H VAL 9 H VAL 9 -1.424 7.565 9.104 42 HA VAL 9 HA VAL 9 -0.862 10.268 8.076 43 HB VAL 9 HB VAL 9 1.218 8.098 8.278 44 HG11 VAL 9 1HG1 VAL 9 2.538 10.450 8.300 45 HG12 VAL 9 2HG1 VAL 9 2.161 9.548 6.830 46 HG13 VAL 9 3HG1 VAL 9 1.129 10.888 7.334 47 HG21 VAL 9 3HG2 VAL 9 1.265 8.427 10.484 48 HG22 VAL 9 1HG2 VAL 9 1.865 10.050 10.140 49 HG23 VAL 9 2HG2 VAL 9 0.138 9.780 10.377 50 H LEU 10 H LEU 10 -0.365 10.444 5.877 51 HA LEU 10 HA LEU 10 -1.758 8.799 4.129 52 HB2 LEU 10 1HB LEU 10 -1.295 10.875 3.261 53 HB3 LEU 10 2HB LEU 10 0.379 10.848 3.810 54 HG LEU 10 HG LEU 10 0.918 9.257 2.006 55 HD11 LEU 10 1HD1 LEU 10 -1.575 8.496 1.925 56 HD12 LEU 10 2HD1 LEU 10 -0.597 8.492 0.457 57 HD13 LEU 10 3HD1 LEU 10 -1.733 9.807 0.755 58 HD21 LEU 10 3HD2 LEU 10 1.485 11.321 1.260 59 HD22 LEU 10 1HD2 LEU 10 -0.126 11.985 1.533 60 HD23 LEU 10 2HD2 LEU 10 0.188 10.991 0.110 61 H LEU 11 H LEU 11 1.383 8.406 5.493 62 HA LEU 11 HA LEU 11 2.298 6.515 3.514 63 HB2 LEU 11 1HB LEU 11 3.646 8.119 5.118 64 HB3 LEU 11 2HB LEU 11 3.544 6.738 6.208 65 HG LEU 11 HG LEU 11 5.658 6.740 5.017 66 HD11 LEU 11 1HD1 LEU 11 4.294 4.522 3.638 67 HD12 LEU 11 2HD1 LEU 11 4.059 4.610 5.383 68 HD13 LEU 11 3HD1 LEU 11 5.689 4.507 4.717 69 HD21 LEU 11 3HD2 LEU 11 5.884 7.205 2.848 70 HD22 LEU 11 1HD2 LEU 11 4.198 7.720 2.892 71 HD23 LEU 11 2HD2 LEU 11 4.605 6.079 2.390 72 H ARG 12 H ARG 12 0.896 6.424 6.742 73 HA ARG 12 HA ARG 12 1.292 3.869 7.560 74 HB2 ARG 12 1HB ARG 12 -1.210 5.545 7.697 75 HB3 ARG 12 2HB ARG 12 -1.086 3.979 8.486 76 HG2 ARG 12 1HG ARG 12 1.079 5.020 9.530 77 HG3 ARG 12 2HG ARG 12 0.277 6.542 9.134 78 HD2 ARG 12 1HD ARG 12 -1.764 5.558 10.322 79 HD3 ARG 12 2HD ARG 12 -0.653 4.350 10.964 80 HE ARG 12 HE ARG 12 -0.915 7.058 11.815 81 HH11 ARG 12 1HH1 ARG 12 1.357 4.447 11.442 82 HH12 ARG 12 2HH1 ARG 12 2.413 5.014 12.693 83 HH21 ARG 12 1HH2 ARG 12 0.467 7.815 13.465 84 HH22 ARG 12 2HH2 ARG 12 1.905 6.930 13.843 85 H GLY 13 H GLY 13 -0.478 4.880 4.778 86 HA2 GLY 13 1HA GLY 13 -2.298 2.923 4.277 87 HA3 GLY 13 2HA GLY 13 -1.285 3.620 3.021 88 H LEU 14 H LEU 14 1.177 2.561 4.268 89 HA LEU 14 HA LEU 14 0.972 -0.136 3.168 90 HB2 LEU 14 1HB LEU 14 3.444 1.351 4.033 91 HB3 LEU 14 2HB LEU 14 3.367 -0.111 3.052 92 HG LEU 14 HG LEU 14 2.193 2.493 2.116 93 HD11 LEU 14 1HD1 LEU 14 4.990 1.794 2.433 94 HD12 LEU 14 2HD1 LEU 14 4.249 3.339 2.018 95 HD13 LEU 14 3HD1 LEU 14 4.570 2.149 0.757 96 HD21 LEU 14 3HD2 LEU 14 2.256 1.508 -0.027 97 HD22 LEU 14 1HD2 LEU 14 1.603 0.273 1.050 98 HD23 LEU 14 2HD2 LEU 14 3.285 0.186 0.525 99 H GLU 15 H GLU 15 1.791 1.547 6.147 100 HA GLU 15 HA GLU 15 2.840 -0.577 7.612 101 HB2 GLU 15 1HB GLU 15 1.226 1.812 8.510 102 HB3 GLU 15 2HB GLU 15 2.011 0.697 9.622 103 HG2 GLU 15 1HG GLU 15 4.143 1.258 8.236 104 HG3 GLU 15 2HG GLU 15 3.223 2.685 7.762 105 H CYS 16 H CYS 16 -0.374 0.009 6.560 106 HA CYS 16 HA CYS 16 -1.845 -1.356 8.514 107 HB2 CYS 16 1HB CYS 16 -3.643 -1.263 7.040 108 HB3 CYS 16 2HB CYS 16 -2.640 0.074 6.489 109 HG CYS 16 HG CYS 16 -1.435 -2.067 4.645 110 H ILE 17 H ILE 17 0.287 -2.512 6.086 111 HA ILE 17 HA ILE 17 -0.585 -5.275 6.632 112 HB ILE 17 HB ILE 17 0.459 -5.857 4.420 113 HG12 ILE 17 1HG1 ILE 17 0.233 -2.916 3.807 114 HG13 ILE 17 2HG1 ILE 17 1.744 -3.632 4.356 115 HG21 ILE 17 1HG2 ILE 17 -2.043 -5.293 4.966 116 HG22 ILE 17 2HG2 ILE 17 -1.740 -3.916 3.908 117 HG23 ILE 17 3HG2 ILE 17 -1.521 -5.556 3.302 118 HD11 ILE 17 3HD1 ILE 17 0.219 -4.426 1.887 119 HD12 ILE 17 1HD1 ILE 17 1.670 -3.426 1.934 120 HD13 ILE 17 2HD1 ILE 17 1.748 -5.117 2.431 121 H ASN 18 H ASN 18 1.118 -6.901 6.588 122 HA ASN 18 HA ASN 18 3.641 -5.814 7.629 123 HB2 ASN 18 1HB ASN 18 2.193 -7.409 9.020 124 HB3 ASN 18 2HB ASN 18 2.705 -8.667 7.899 125 HD21 ASN 18 1HD2 ASN 18 4.162 -6.020 9.766 126 HD22 ASN 18 2HD2 ASN 18 5.509 -6.940 10.335 127 H LYS 19 H LYS 19 5.599 -7.186 7.177 128 HA LYS 19 HA LYS 19 6.410 -7.165 4.630 129 HB2 LYS 19 1HB LYS 19 7.619 -7.988 6.804 130 HB3 LYS 19 2HB LYS 19 7.150 -9.585 6.235 131 HG2 LYS 19 1HG LYS 19 8.744 -7.604 4.623 132 HG3 LYS 19 2HG LYS 19 9.438 -8.919 5.575 133 HD2 LYS 19 1HD LYS 19 7.736 -10.366 4.164 134 HD3 LYS 19 2HD LYS 19 7.886 -9.017 3.036 135 HE2 LYS 19 1HE LYS 19 10.329 -10.298 4.192 136 HE3 LYS 19 2HE LYS 19 9.492 -11.049 2.835 137 HZ1 LYS 19 3HZ LYS 19 9.970 -8.230 2.495 138 HZ2 LYS 19 1HZ LYS 19 10.250 -9.512 1.426 139 HZ3 LYS 19 2HZ LYS 19 11.387 -9.145 2.623 140 H HIS 20 H HIS 20 4.554 -9.794 6.098 141 HA HIS 20 HA HIS 20 4.598 -11.710 4.161 142 HB2 HIS 20 1HB HIS 20 3.369 -12.137 6.152 143 HB3 HIS 20 2HB HIS 20 2.301 -10.766 5.873 144 HD1 HIS 20 HD1 HIS 20 2.975 -14.260 4.643 145 HD2 HIS 20 HD2 HIS 20 0.093 -11.287 4.300 146 HE1 HIS 20 HE1 HIS 20 1.021 -15.345 3.489 147 HE2 HIS 20 HE2 HIS 20 -0.676 -13.505 3.215 148 H TYR 21 H TYR 21 1.819 -9.497 4.311 149 HA TYR 21 HA TYR 21 1.075 -9.920 1.633 150 HB2 TYR 21 1HB TYR 21 0.332 -7.913 3.727 151 HB3 TYR 21 2HB TYR 21 -0.205 -7.667 2.068 152 HD1 TYR 21 HD1 TYR 21 -0.909 -10.288 1.123 153 HD2 TYR 21 HD2 TYR 21 -1.468 -8.611 4.994 154 HE1 TYR 21 HE1 TYR 21 -2.798 -11.816 1.505 155 HE2 TYR 21 HE2 TYR 21 -3.358 -10.136 5.387 156 HH TYR 21 HH TYR 21 -5.057 -11.410 3.789 157 H PHE 22 H PHE 22 3.088 -7.477 3.169 158 HA PHE 22 HA PHE 22 3.313 -5.600 1.171 159 HB2 PHE 22 1HB PHE 22 4.393 -5.649 3.511 160 HB3 PHE 22 2HB PHE 22 5.716 -6.514 2.735 161 HD1 PHE 22 HD1 PHE 22 3.641 -3.618 1.636 162 HD2 PHE 22 HD2 PHE 22 7.519 -5.100 2.572 163 HE1 PHE 22 HE1 PHE 22 4.625 -1.475 0.936 164 HE2 PHE 22 HE2 PHE 22 8.509 -2.958 1.874 165 HZ PHE 22 HZ PHE 22 7.061 -1.141 1.055 166 H SER 23 H SER 23 5.066 -8.657 1.495 167 HA SER 23 HA SER 23 6.881 -8.397 -0.573 168 HB2 SER 23 1HB SER 23 6.650 -10.309 1.106 169 HB3 SER 23 2HB SER 23 5.436 -10.980 0.018 170 HG SER 23 HG SER 23 7.737 -11.663 -0.240 171 H LEU 24 H LEU 24 3.465 -9.186 -0.699 172 HA LEU 24 HA LEU 24 3.453 -9.918 -3.461 173 HB2 LEU 24 1HB LEU 24 1.293 -9.206 -1.499 174 HB3 LEU 24 2HB LEU 24 0.946 -9.567 -3.189 175 HG LEU 24 HG LEU 24 2.308 -11.775 -2.584 176 HD11 LEU 24 1HD1 LEU 24 2.618 -10.854 -0.225 177 HD12 LEU 24 2HD1 LEU 24 2.042 -12.513 -0.380 178 HD13 LEU 24 3HD1 LEU 24 0.909 -11.220 0.012 179 HD21 LEU 24 3HD2 LEU 24 0.140 -11.891 -3.512 180 HD22 LEU 24 1HD2 LEU 24 -0.593 -11.164 -2.082 181 HD23 LEU 24 2HD2 LEU 24 0.068 -12.797 -1.999 182 H PHE 25 H PHE 25 2.711 -6.971 -1.655 183 HA PHE 25 HA PHE 25 1.735 -5.455 -3.810 184 HB2 PHE 25 1HB PHE 25 1.534 -4.876 -1.368 185 HB3 PHE 25 2HB PHE 25 3.225 -4.386 -1.409 186 HD1 PHE 25 HD1 PHE 25 0.363 -3.836 -3.740 187 HD2 PHE 25 HD2 PHE 25 3.371 -2.101 -1.277 188 HE1 PHE 25 HE1 PHE 25 -0.311 -1.595 -4.500 189 HE2 PHE 25 HE2 PHE 25 2.701 0.143 -2.033 190 HZ PHE 25 HZ PHE 25 0.857 0.398 -3.646 191 H LYS 26 H LYS 26 5.002 -5.797 -2.480 192 HA LYS 26 HA LYS 26 6.268 -3.926 -4.145 193 HB2 LYS 26 1HB LYS 26 7.223 -6.322 -2.610 194 HB3 LYS 26 2HB LYS 26 8.326 -5.446 -3.664 195 HG2 LYS 26 1HG LYS 26 7.963 -3.411 -2.406 196 HG3 LYS 26 2HG LYS 26 6.778 -4.230 -1.386 197 HD2 LYS 26 1HD LYS 26 9.655 -5.096 -1.628 198 HD3 LYS 26 2HD LYS 26 9.068 -3.993 -0.380 199 HE2 LYS 26 1HE LYS 26 7.548 -5.698 0.443 200 HE3 LYS 26 2HE LYS 26 8.045 -6.794 -0.846 201 HZ1 LYS 26 3HZ LYS 26 9.472 -6.016 1.585 202 HZ2 LYS 26 1HZ LYS 26 10.394 -6.329 0.202 203 HZ3 LYS 26 2HZ LYS 26 9.373 -7.524 0.826 204 H SER 27 H SER 27 5.286 -7.224 -4.679 205 HA SER 27 HA SER 27 6.896 -7.763 -6.940 206 HB2 SER 27 1HB SER 27 5.694 -9.497 -5.598 207 HB3 SER 27 2HB SER 27 4.178 -8.931 -6.299 208 HG SER 27 HG SER 27 4.995 -9.496 -8.348 209 H LEU 28 H LEU 28 3.600 -6.503 -6.600 210 HA LEU 28 HA LEU 28 3.102 -6.306 -9.389 211 HB2 LEU 28 1HB LEU 28 1.797 -4.699 -7.205 212 HB3 LEU 28 2HB LEU 28 1.142 -5.077 -8.797 213 HG LEU 28 HG LEU 28 1.741 -7.272 -6.848 214 HD11 LEU 28 1HD1 LEU 28 -0.883 -6.930 -6.463 215 HD12 LEU 28 2HD1 LEU 28 -0.404 -5.247 -6.680 216 HD13 LEU 28 3HD1 LEU 28 0.344 -6.221 -5.415 217 HD21 LEU 28 3HD2 LEU 28 1.002 -8.440 -8.592 218 HD22 LEU 28 1HD2 LEU 28 0.475 -6.982 -9.435 219 HD23 LEU 28 2HD2 LEU 28 -0.594 -7.760 -8.267 220 H LEU 29 H LEU 29 4.584 -4.205 -7.031 221 HA LEU 29 HA LEU 29 4.630 -1.950 -8.870 222 HB2 LEU 29 1HB LEU 29 5.277 -2.382 -6.007 223 HB3 LEU 29 2HB LEU 29 6.119 -1.080 -6.845 224 HG LEU 29 HG LEU 29 4.171 -0.248 -5.644 225 HD11 LEU 29 1HD1 LEU 29 3.829 1.265 -7.236 226 HD12 LEU 29 2HD1 LEU 29 3.084 0.079 -8.308 227 HD13 LEU 29 3HD1 LEU 29 4.838 0.265 -8.281 228 HD21 LEU 29 3HD2 LEU 29 2.525 -1.998 -7.466 229 HD22 LEU 29 1HD2 LEU 29 1.932 -0.912 -6.208 230 HD23 LEU 29 2HD2 LEU 29 2.855 -2.351 -5.769 231 H ALA 30 H ALA 30 6.622 -4.576 -7.909 232 HA ALA 30 HA ALA 30 9.190 -3.852 -8.115 233 HB1 ALA 30 3HB ALA 30 8.824 -6.135 -7.897 234 HB2 ALA 30 1HB ALA 30 7.781 -6.204 -9.318 235 HB3 ALA 30 2HB ALA 30 9.523 -5.994 -9.511 236 H ARG 31 H ARG 31 7.089 -4.355 -10.947 237 HA ARG 31 HA ARG 31 8.963 -3.715 -12.912 238 HB2 ARG 31 1HB ARG 31 6.711 -2.905 -14.110 239 HB3 ARG 31 2HB ARG 31 7.117 -4.603 -13.897 240 HG2 ARG 31 1HG ARG 31 5.597 -3.274 -11.727 241 HG3 ARG 31 2HG ARG 31 4.751 -3.620 -13.237 242 HD2 ARG 31 1HD ARG 31 6.398 -5.769 -12.006 243 HD3 ARG 31 2HD ARG 31 4.846 -5.377 -11.269 244 HE ARG 31 HE ARG 31 4.259 -5.663 -13.906 245 HH11 ARG 31 1HH1 ARG 31 5.862 -7.659 -11.548 246 HH12 ARG 31 2HH1 ARG 31 5.373 -9.149 -12.285 247 HH21 ARG 31 1HH2 ARG 31 3.609 -7.618 -14.886 248 HH22 ARG 31 2HH2 ARG 31 4.092 -9.125 -14.184 249 H ASP 32 H ASP 32 6.452 -1.605 -11.509 250 HA ASP 32 HA ASP 32 7.294 0.749 -12.780 251 HB2 ASP 32 1HB ASP 32 5.624 0.152 -10.368 252 HB3 ASP 32 2HB ASP 32 6.105 1.816 -10.692 253 H LEU 33 H LEU 33 7.747 -0.116 -9.347 254 HA LEU 33 HA LEU 33 9.693 1.904 -8.909 255 HB2 LEU 33 1HB LEU 33 9.009 -0.565 -7.321 256 HB3 LEU 33 2HB LEU 33 10.094 0.707 -6.768 257 HG LEU 33 HG LEU 33 7.138 0.978 -7.306 258 HD11 LEU 33 1HD1 LEU 33 7.678 -0.228 -5.249 259 HD12 LEU 33 2HD1 LEU 33 6.981 1.355 -4.906 260 HD13 LEU 33 3HD1 LEU 33 8.719 1.103 -4.740 261 HD21 LEU 33 3HD2 LEU 33 7.725 3.106 -7.759 262 HD22 LEU 33 1HD2 LEU 33 9.291 2.960 -6.960 263 HD23 LEU 33 2HD2 LEU 33 7.835 3.229 -6.003 264 H ASN 34 H ASN 34 9.908 -0.873 -10.660 265 HA ASN 34 HA ASN 34 11.604 -2.194 -11.415 266 HB2 ASN 34 1HB ASN 34 12.312 0.280 -11.947 267 HB3 ASN 34 2HB ASN 34 13.555 -0.026 -10.736 268 HD21 ASN 34 1HD2 ASN 34 12.094 -1.754 -13.474 269 HD22 ASN 34 2HD2 ASN 34 13.593 -2.265 -14.167 270 H LEU 35 H LEU 35 10.944 -2.672 -8.748 271 HA LEU 35 HA LEU 35 13.148 -2.697 -6.995 272 HB2 LEU 35 1HB LEU 35 10.753 -4.527 -7.071 273 HB3 LEU 35 2HB LEU 35 11.865 -4.348 -5.715 274 HG LEU 35 HG LEU 35 10.198 -2.074 -6.774 275 HD11 LEU 35 1HD1 LEU 35 9.211 -2.992 -4.296 276 HD12 LEU 35 2HD1 LEU 35 9.312 -4.388 -5.367 277 HD13 LEU 35 3HD1 LEU 35 8.391 -2.967 -5.857 278 HD21 LEU 35 3HD2 LEU 35 11.211 -2.336 -3.986 279 HD22 LEU 35 1HD2 LEU 35 10.893 -0.888 -4.942 280 HD23 LEU 35 2HD2 LEU 35 12.334 -1.854 -5.258 281 H GLU 36 H GLU 36 14.218 -4.681 -6.164 282 HA GLU 36 HA GLU 36 15.171 -6.271 -8.414 283 HB2 GLU 36 1HB GLU 36 16.172 -5.845 -5.606 284 HB3 GLU 36 2HB GLU 36 16.840 -7.090 -6.652 285 HG2 GLU 36 1HG GLU 36 18.289 -5.317 -6.947 286 HG3 GLU 36 2HG GLU 36 17.209 -5.183 -8.334 287 H ARG 37 H ARG 37 13.700 -7.854 -8.817 288 HA ARG 37 HA ARG 37 11.999 -9.226 -7.289 289 HB2 ARG 37 1HB ARG 37 12.267 -11.160 -8.733 290 HB3 ARG 37 2HB ARG 37 12.383 -9.684 -9.683 291 HG2 ARG 37 1HG ARG 37 14.802 -11.150 -8.678 292 HG3 ARG 37 2HG ARG 37 14.035 -11.517 -10.224 293 HD2 ARG 37 1HD ARG 37 14.258 -8.902 -10.543 294 HD3 ARG 37 2HD ARG 37 15.563 -9.111 -9.376 295 HE ARG 37 HE ARG 37 16.805 -10.146 -11.000 296 HH11 ARG 37 1HH1 ARG 37 13.485 -9.968 -12.032 297 HH12 ARG 37 2HH1 ARG 37 13.820 -10.517 -13.641 298 HH21 ARG 37 1HH2 ARG 37 17.259 -10.867 -13.115 299 HH22 ARG 37 2HH2 ARG 37 15.966 -11.028 -14.256 300 H ASP 38 H ASP 38 15.484 -9.641 -7.245 301 HA ASP 38 HA ASP 38 15.314 -11.832 -5.340 302 HB2 ASP 38 1HB ASP 38 17.070 -12.206 -6.819 303 HB3 ASP 38 2HB ASP 38 17.539 -10.508 -6.849 304 H ASN 39 H ASN 39 16.404 -8.465 -5.448 305 HA ASN 39 HA ASN 39 16.859 -8.510 -2.557 306 HB2 ASN 39 1HB ASN 39 17.749 -6.771 -4.802 307 HB3 ASN 39 2HB ASN 39 17.559 -6.013 -3.223 308 HD21 ASN 39 1HD2 ASN 39 18.515 -7.474 -1.405 309 HD22 ASN 39 2HD2 ASN 39 20.119 -8.039 -1.710 310 H GLN 40 H GLN 40 14.192 -8.750 -3.371 311 HA GLN 40 HA GLN 40 12.964 -6.132 -3.133 312 HB2 GLN 40 1HB GLN 40 12.041 -8.875 -3.781 313 HB3 GLN 40 2HB GLN 40 10.869 -7.811 -3.015 314 HG2 GLN 40 1HG GLN 40 11.624 -6.127 -4.857 315 HG3 GLN 40 2HG GLN 40 12.177 -7.584 -5.680 316 HE21 GLN 40 1HE2 GLN 40 10.586 -9.281 -6.027 317 HE22 GLN 40 2HE2 GLN 40 8.937 -8.842 -6.294 318 H GLU 41 H GLU 41 13.717 -8.865 -1.136 319 HA GLU 41 HA GLU 41 11.902 -8.217 0.980 320 HB2 GLU 41 1HB GLU 41 14.370 -9.963 1.007 321 HB3 GLU 41 2HB GLU 41 13.152 -9.895 2.273 322 HG2 GLU 41 1HG GLU 41 11.491 -10.810 0.807 323 HG3 GLU 41 2HG GLU 41 12.596 -10.726 -0.564 324 H GLN 42 H GLN 42 15.349 -7.679 0.378 325 HA GLN 42 HA GLN 42 16.136 -6.625 2.794 326 HB2 GLN 42 1HB GLN 42 17.860 -5.398 1.555 327 HB3 GLN 42 2HB GLN 42 17.688 -7.041 0.954 328 HG2 GLN 42 1HG GLN 42 16.852 -6.375 -1.053 329 HG3 GLN 42 2HG GLN 42 16.129 -4.909 -0.390 330 HE21 GLN 42 1HE2 GLN 42 17.136 -4.101 -2.441 331 HE22 GLN 42 2HE2 GLN 42 18.760 -3.519 -2.343 332 H TYR 43 H TYR 43 13.940 -5.301 0.519 333 HA TYR 43 HA TYR 43 14.209 -2.564 1.350 334 HB2 TYR 43 1HB TYR 43 12.199 -4.034 -0.348 335 HB3 TYR 43 2HB TYR 43 12.006 -2.333 0.063 336 HD1 TYR 43 HD1 TYR 43 14.614 -1.186 -0.192 337 HD2 TYR 43 HD2 TYR 43 12.811 -4.222 -2.564 338 HE1 TYR 43 HE1 TYR 43 16.062 -0.562 -2.080 339 HE2 TYR 43 HE2 TYR 43 14.254 -3.608 -4.458 340 HH TYR 43 HH TYR 43 16.413 -2.496 -4.844 341 H THR 44 H THR 44 12.247 -1.368 2.177 342 HA THR 44 HA THR 44 10.563 -2.941 3.970 343 HB THR 44 HB THR 44 11.060 -1.573 5.917 344 HG1 THR 44 HG1 THR 44 11.877 0.208 4.341 345 HG21 THR 44 3HG2 THR 44 13.641 -2.590 4.725 346 HG22 THR 44 1HG2 THR 44 12.418 -3.614 5.475 347 HG23 THR 44 2HG2 THR 44 13.263 -2.402 6.437 348 H THR 45 H THR 45 8.834 -1.615 4.962 349 HA THR 45 HA THR 45 7.295 -0.276 3.159 350 HB THR 45 HB THR 45 6.212 0.877 5.155 351 HG1 THR 45 HG1 THR 45 8.421 0.497 6.324 352 HG21 THR 45 3HG2 THR 45 4.941 -0.952 5.224 353 HG22 THR 45 1HG2 THR 45 6.197 -1.843 6.082 354 HG23 THR 45 2HG2 THR 45 6.190 -1.807 4.318 355 H ILE 46 H ILE 46 10.005 0.973 4.935 356 HA ILE 46 HA ILE 46 9.426 3.740 4.498 357 HB ILE 46 HB ILE 46 11.940 2.306 5.334 358 HG12 ILE 46 1HG1 ILE 46 10.136 2.370 6.991 359 HG13 ILE 46 2HG1 ILE 46 11.483 3.382 7.498 360 HG21 ILE 46 1HG2 ILE 46 12.953 4.465 5.755 361 HG22 ILE 46 2HG2 ILE 46 12.509 4.331 4.055 362 HG23 ILE 46 3HG2 ILE 46 11.514 5.286 5.153 363 HD11 ILE 46 3HD1 ILE 46 9.704 5.005 6.020 364 HD12 ILE 46 1HD1 ILE 46 8.755 4.079 7.182 365 HD13 ILE 46 2HD1 ILE 46 10.097 5.081 7.738 366 H GLN 47 H GLN 47 12.186 1.832 3.294 367 HA GLN 47 HA GLN 47 13.049 3.498 1.319 368 HB2 GLN 47 1HB GLN 47 12.931 0.479 1.236 369 HB3 GLN 47 2HB GLN 47 13.889 1.469 0.142 370 HG2 GLN 47 1HG GLN 47 14.855 2.420 2.400 371 HG3 GLN 47 2HG GLN 47 14.309 0.862 3.017 372 HE21 GLN 47 1HE2 GLN 47 16.009 -0.408 3.194 373 HE22 GLN 47 2HE2 GLN 47 17.237 -0.635 2.001 374 H ILE 48 H ILE 48 10.465 1.086 1.050 375 HA ILE 48 HA ILE 48 9.931 1.509 -1.691 376 HB ILE 48 HB ILE 48 8.071 0.494 0.462 377 HG12 ILE 48 1HG1 ILE 48 10.183 -0.804 0.171 378 HG13 ILE 48 2HG1 ILE 48 8.737 -1.722 -0.235 379 HG21 ILE 48 1HG2 ILE 48 7.810 0.784 -2.477 380 HG22 ILE 48 2HG2 ILE 48 7.163 -0.680 -1.739 381 HG23 ILE 48 3HG2 ILE 48 6.587 0.901 -1.212 382 HD11 ILE 48 3HD1 ILE 48 9.952 -0.320 -2.495 383 HD12 ILE 48 1HD1 ILE 48 10.963 -1.569 -1.769 384 HD13 ILE 48 2HD1 ILE 48 9.354 -1.974 -2.367 385 H ALA 49 H ALA 49 8.585 2.930 1.254 386 HA ALA 49 HA ALA 49 6.467 4.359 0.198 387 HB1 ALA 49 3HB ALA 49 6.407 4.615 2.430 388 HB2 ALA 49 1HB ALA 49 8.164 4.576 2.585 389 HB3 ALA 49 2HB ALA 49 7.354 6.068 2.105 390 H ASN 50 H ASN 50 9.724 5.685 0.824 391 HA ASN 50 HA ASN 50 9.432 8.135 -0.370 392 HB2 ASN 50 1HB ASN 50 11.842 6.324 -0.232 393 HB3 ASN 50 2HB ASN 50 11.926 7.966 -0.861 394 HD21 ASN 50 1HD2 ASN 50 11.519 5.987 1.949 395 HD22 ASN 50 2HD2 ASN 50 11.684 7.250 3.117 396 H MET 51 H MET 51 10.650 5.184 -1.962 397 HA MET 51 HA MET 51 11.069 6.080 -4.494 398 HB2 MET 51 1HB MET 51 10.097 3.488 -3.394 399 HB3 MET 51 2HB MET 51 10.011 3.722 -5.134 400 HG2 MET 51 1HG MET 51 12.474 4.393 -4.977 401 HG3 MET 51 2HG MET 51 12.427 3.676 -3.369 402 HE1 MET 51 3HE MET 51 12.163 1.104 -2.883 403 HE2 MET 51 1HE MET 51 13.149 0.129 -3.972 404 HE3 MET 51 2HE MET 51 13.787 1.637 -3.317 405 H MET 52 H MET 52 7.947 5.234 -3.060 406 HA MET 52 HA MET 52 6.464 5.713 -5.457 407 HB2 MET 52 1HB MET 52 5.574 5.485 -2.578 408 HB3 MET 52 2HB MET 52 4.480 5.582 -3.952 409 HG2 MET 52 1HG MET 52 5.655 3.516 -4.840 410 HG3 MET 52 2HG MET 52 6.385 3.378 -3.241 411 HE1 MET 52 3HE MET 52 4.042 2.057 -5.414 412 HE2 MET 52 1HE MET 52 2.560 1.644 -4.550 413 HE3 MET 52 2HE MET 52 2.791 3.278 -5.174 414 H GLU 53 H GLU 53 6.857 7.515 -2.410 415 HA GLU 53 HA GLU 53 5.283 9.668 -2.745 416 HB2 GLU 53 1HB GLU 53 8.073 9.446 -1.681 417 HB3 GLU 53 2HB GLU 53 7.306 11.024 -1.779 418 HG2 GLU 53 1HG GLU 53 5.401 10.063 -0.455 419 HG3 GLU 53 2HG GLU 53 6.403 8.635 -0.198 420 H GLU 54 H GLU 54 8.415 9.201 -4.337 421 HA GLU 54 HA GLU 54 8.181 11.684 -5.797 422 HB2 GLU 54 1HB GLU 54 10.299 10.994 -6.856 423 HB3 GLU 54 2HB GLU 54 10.386 10.939 -5.101 424 HG2 GLU 54 1HG GLU 54 9.812 8.450 -5.357 425 HG3 GLU 54 2HG GLU 54 10.259 8.672 -7.048 426 H LYS 55 H LYS 55 8.298 8.231 -6.675 427 HA LYS 55 HA LYS 55 7.815 8.486 -9.391 428 HB2 LYS 55 1HB LYS 55 8.454 6.373 -8.318 429 HB3 LYS 55 2HB LYS 55 6.878 6.285 -7.540 430 HG2 LYS 55 1HG LYS 55 6.497 4.910 -9.303 431 HG3 LYS 55 2HG LYS 55 6.038 6.446 -10.042 432 HD2 LYS 55 1HD LYS 55 8.181 6.638 -11.109 433 HD3 LYS 55 2HD LYS 55 8.790 5.229 -10.239 434 HE2 LYS 55 1HE LYS 55 8.272 4.337 -12.307 435 HE3 LYS 55 2HE LYS 55 6.813 3.994 -11.381 436 HZ1 LYS 55 3HZ LYS 55 5.851 6.053 -12.331 437 HZ2 LYS 55 1HZ LYS 55 6.183 4.867 -13.491 438 HZ3 LYS 55 2HZ LYS 55 7.212 6.199 -13.325 439 H PHE 56 H PHE 56 5.354 7.646 -6.944 440 HA PHE 56 HA PHE 56 3.320 8.794 -8.730 441 HB2 PHE 56 1HB PHE 56 2.594 7.094 -6.384 442 HB3 PHE 56 2HB PHE 56 1.787 7.257 -7.940 443 HD1 PHE 56 HD2 PHE 56 2.615 6.046 -9.902 444 HD2 PHE 56 HD1 PHE 56 4.344 5.508 -6.050 445 HE1 PHE 56 HE2 PHE 56 3.696 3.978 -10.680 446 HE2 PHE 56 HE1 PHE 56 5.429 3.439 -6.823 447 HZ PHE 56 HZ PHE 56 5.105 2.671 -9.140 448 HA PRO 57 HA PRO 57 3.621 11.864 -5.311 449 HB2 PRO 57 1HB PRO 57 3.120 14.003 -6.907 450 HB3 PRO 57 2HB PRO 57 4.736 13.315 -6.701 451 HG2 PRO 57 1HG PRO 57 2.772 12.905 -8.923 452 HG3 PRO 57 2HG PRO 57 4.524 13.166 -9.011 453 HD2 PRO 57 1HD PRO 57 3.404 10.712 -9.239 454 HD3 PRO 57 2HD PRO 57 5.004 10.967 -8.514 455 H ALA 58 H ALA 58 1.217 10.748 -7.415 456 HA ALA 58 HA ALA 58 -0.899 12.524 -6.864 457 HB1 ALA 58 3HB ALA 58 -0.677 9.764 -7.936 458 HB2 ALA 58 1HB ALA 58 -2.259 10.312 -7.382 459 HB3 ALA 58 2HB ALA 58 -1.412 11.201 -8.648 460 H ASP 59 H ASP 59 -0.284 9.281 -5.501 461 HA ASP 59 HA ASP 59 -1.639 10.172 -3.041 462 HB2 ASP 59 1HB ASP 59 -1.725 7.376 -4.192 463 HB3 ASP 59 2HB ASP 59 -2.578 7.956 -2.762 464 H SER 60 H SER 60 1.243 9.381 -4.308 465 HA SER 60 HA SER 60 3.247 8.691 -3.480 466 HB2 SER 60 1HB SER 60 2.073 9.040 -0.722 467 HB3 SER 60 2HB SER 60 3.750 9.243 -1.227 468 HG SER 60 HG SER 60 2.553 10.931 -2.696 469 H GLY 61 H GLY 61 1.047 6.739 -3.885 470 HA2 GLY 61 1HA GLY 61 1.477 4.365 -3.837 471 HA3 GLY 61 2HA GLY 61 2.207 4.576 -2.252 472 H LEU 62 H LEU 62 0.075 6.310 -1.275 473 HA LEU 62 HA LEU 62 -1.501 4.610 0.108 474 HB2 LEU 62 1HB LEU 62 -1.690 6.835 0.712 475 HB3 LEU 62 2HB LEU 62 -2.011 7.360 -0.939 476 HG LEU 62 HG LEU 62 -4.261 6.194 -0.707 477 HD11 LEU 62 1HD1 LEU 62 -4.137 6.541 2.203 478 HD12 LEU 62 2HD1 LEU 62 -3.222 5.172 1.575 479 HD13 LEU 62 3HD1 LEU 62 -4.946 5.309 1.237 480 HD21 LEU 62 3HD2 LEU 62 -3.643 8.714 -0.442 481 HD22 LEU 62 1HD2 LEU 62 -4.018 8.428 1.257 482 HD23 LEU 62 2HD2 LEU 62 -5.247 8.143 0.024 483 H GLY 63 H GLY 63 -2.217 5.877 -3.131 484 HA2 GLY 63 1HA GLY 63 -4.716 4.523 -3.370 485 HA3 GLY 63 2HA GLY 63 -3.805 5.259 -4.680 486 H LYS 64 H LYS 64 -1.756 3.977 -5.275 487 HA LYS 64 HA LYS 64 -2.341 1.652 -6.495 488 HB2 LYS 64 1HB LYS 64 -0.111 3.018 -6.381 489 HB3 LYS 64 2HB LYS 64 0.327 1.847 -5.142 490 HG2 LYS 64 1HG LYS 64 1.218 1.012 -7.142 491 HG3 LYS 64 2HG LYS 64 -0.232 0.051 -6.840 492 HD2 LYS 64 1HD LYS 64 -1.449 1.159 -8.510 493 HD3 LYS 64 2HD LYS 64 -0.303 2.500 -8.577 494 HE2 LYS 64 1HE LYS 64 0.135 1.245 -10.507 495 HE3 LYS 64 2HE LYS 64 1.402 0.777 -9.373 496 HZ1 LYS 64 3HZ LYS 64 0.747 -1.317 -9.523 497 HZ2 LYS 64 1HZ LYS 64 -0.409 -0.879 -10.678 498 HZ3 LYS 64 2HZ LYS 64 -0.823 -0.915 -9.038 499 H LEU 65 H LEU 65 -1.616 2.038 -3.092 500 HA LEU 65 HA LEU 65 -1.370 -0.750 -2.528 501 HB2 LEU 65 1HB LEU 65 -0.397 1.070 -1.140 502 HB3 LEU 65 2HB LEU 65 -2.030 1.499 -0.634 503 HG LEU 65 HG LEU 65 -0.541 0.058 0.923 504 HD11 LEU 65 1HD1 LEU 65 -2.749 -1.406 1.316 505 HD12 LEU 65 2HD1 LEU 65 -3.415 -0.141 0.283 506 HD13 LEU 65 3HD1 LEU 65 -2.612 0.287 1.794 507 HD21 LEU 65 3HD2 LEU 65 -0.417 -2.228 0.543 508 HD22 LEU 65 1HD2 LEU 65 -0.104 -1.547 -1.053 509 HD23 LEU 65 2HD2 LEU 65 -1.698 -2.198 -0.670 510 H ILE 66 H ILE 66 -3.913 1.621 -1.721 511 HA ILE 66 HA ILE 66 -5.823 0.174 -0.564 512 HB ILE 66 HB ILE 66 -6.150 2.153 -2.804 513 HG12 ILE 66 1HG1 ILE 66 -6.922 2.371 0.106 514 HG13 ILE 66 2HG1 ILE 66 -5.323 2.808 -0.487 515 HG21 ILE 66 1HG2 ILE 66 -8.064 0.683 -2.945 516 HG22 ILE 66 2HG2 ILE 66 -8.339 0.827 -1.210 517 HG23 ILE 66 3HG2 ILE 66 -8.555 2.230 -2.256 518 HD11 ILE 66 3HD1 ILE 66 -7.549 4.444 -0.328 519 HD12 ILE 66 1HD1 ILE 66 -6.042 4.784 -1.177 520 HD13 ILE 66 2HD1 ILE 66 -7.399 4.065 -2.043 521 H GLU 67 H GLU 67 -5.374 0.203 -4.101 522 HA GLU 67 HA GLU 67 -7.353 -1.607 -4.785 523 HB2 GLU 67 1HB GLU 67 -4.669 -1.058 -6.045 524 HB3 GLU 67 2HB GLU 67 -5.850 -2.143 -6.766 525 HG2 GLU 67 1HG GLU 67 -6.641 0.640 -6.040 526 HG3 GLU 67 2HG GLU 67 -5.725 0.340 -7.514 527 H PHE 68 H PHE 68 -3.925 -2.300 -4.102 528 HA PHE 68 HA PHE 68 -3.855 -5.001 -4.448 529 HB2 PHE 68 1HB PHE 68 -1.852 -3.835 -3.847 530 HB3 PHE 68 2HB PHE 68 -2.537 -3.333 -2.303 531 HD1 PHE 68 HD1 PHE 68 -1.642 -6.400 -4.214 532 HD2 PHE 68 HD2 PHE 68 -2.055 -4.548 -0.404 533 HE1 PHE 68 HE1 PHE 68 -0.672 -8.393 -3.144 534 HE2 PHE 68 HE2 PHE 68 -1.085 -6.537 0.671 535 HZ PHE 68 HZ PHE 68 -0.392 -8.462 -0.698 536 H CYS 69 H CYS 69 -5.124 -3.259 -1.650 537 HA CYS 69 HA CYS 69 -5.618 -5.521 -0.037 538 HB2 CYS 69 1HB CYS 69 -6.993 -2.825 -0.046 539 HB3 CYS 69 2HB CYS 69 -7.121 -4.024 1.236 540 HG CYS 69 HG CYS 69 -4.113 -2.683 0.334 541 H GLU 70 H GLU 70 -7.614 -3.786 -2.386 542 HA GLU 70 HA GLU 70 -10.077 -4.879 -2.003 543 HB2 GLU 70 1HB GLU 70 -8.693 -4.387 -4.644 544 HB3 GLU 70 2HB GLU 70 -10.418 -4.675 -4.464 545 HG2 GLU 70 1HG GLU 70 -10.502 -2.666 -2.970 546 HG3 GLU 70 2HG GLU 70 -8.832 -2.341 -3.432 547 H GLU 71 H GLU 71 -7.461 -6.333 -3.930 548 HA GLU 71 HA GLU 71 -8.762 -8.640 -4.737 549 HB2 GLU 71 1HB GLU 71 -5.848 -8.451 -3.962 550 HB3 GLU 71 2HB GLU 71 -6.571 -9.618 -5.059 551 HG2 GLU 71 1HG GLU 71 -6.396 -6.648 -5.514 552 HG3 GLU 71 2HG GLU 71 -5.374 -7.874 -6.262 553 H VAL 72 H VAL 72 -6.898 -8.076 -1.767 554 HA VAL 72 HA VAL 72 -7.517 -10.709 -0.746 555 HB VAL 72 HB VAL 72 -6.261 -8.425 0.769 556 HG11 VAL 72 1HG1 VAL 72 -6.916 -10.171 2.235 557 HG12 VAL 72 2HG1 VAL 72 -6.303 -11.412 1.141 558 HG13 VAL 72 3HG1 VAL 72 -5.179 -10.348 1.988 559 HG21 VAL 72 3HG2 VAL 72 -4.102 -9.217 0.068 560 HG22 VAL 72 1HG2 VAL 72 -4.835 -10.541 -0.836 561 HG23 VAL 72 2HG2 VAL 72 -5.069 -8.876 -1.367 562 HA PRO 73 HA PRO 73 -11.382 -9.362 1.011 563 HB2 PRO 73 1HB PRO 73 -11.972 -11.717 2.224 564 HB3 PRO 73 2HB PRO 73 -12.171 -11.455 0.487 565 HG2 PRO 73 1HG PRO 73 -9.940 -12.806 1.957 566 HG3 PRO 73 2HG PRO 73 -10.752 -13.299 0.461 567 HD2 PRO 73 1HD PRO 73 -8.346 -12.060 0.471 568 HD3 PRO 73 2HD PRO 73 -9.528 -11.838 -0.834 569 H ALA 74 H ALA 74 -8.665 -10.695 2.744 570 HA ALA 74 HA ALA 74 -9.744 -10.104 5.355 571 HB1 ALA 74 3HB ALA 74 -6.913 -10.834 4.623 572 HB2 ALA 74 1HB ALA 74 -7.657 -10.915 6.220 573 HB3 ALA 74 2HB ALA 74 -8.196 -12.002 4.939 574 H LEU 75 H LEU 75 -7.935 -8.448 2.944 575 HA LEU 75 HA LEU 75 -6.995 -6.425 4.831 576 HB2 LEU 75 1HB LEU 75 -6.529 -6.754 1.872 577 HB3 LEU 75 2HB LEU 75 -5.841 -5.471 2.864 578 HG LEU 75 HG LEU 75 -5.228 -8.418 2.999 579 HD11 LEU 75 1HD1 LEU 75 -3.814 -5.990 2.009 580 HD12 LEU 75 2HD1 LEU 75 -3.922 -7.602 1.301 581 HD13 LEU 75 3HD1 LEU 75 -2.874 -7.318 2.689 582 HD21 LEU 75 3HD2 LEU 75 -5.168 -7.825 5.241 583 HD22 LEU 75 1HD2 LEU 75 -4.613 -6.187 4.898 584 HD23 LEU 75 2HD2 LEU 75 -3.506 -7.548 4.720 585 H ARG 76 H ARG 76 -9.354 -6.922 2.315 586 HA ARG 76 HA ARG 76 -10.090 -4.493 1.441 587 HB2 ARG 76 1HB ARG 76 -11.690 -6.868 2.269 588 HB3 ARG 76 2HB ARG 76 -12.553 -5.381 1.900 589 HG2 ARG 76 1HG ARG 76 -11.696 -5.346 -0.324 590 HG3 ARG 76 2HG ARG 76 -10.592 -6.679 0.025 591 HD2 ARG 76 1HD ARG 76 -12.307 -7.767 -1.063 592 HD3 ARG 76 2HD ARG 76 -12.775 -7.966 0.625 593 HE ARG 76 HE ARG 76 -13.914 -5.621 -0.525 594 HH11 ARG 76 1HH1 ARG 76 -14.242 -9.081 -0.324 595 HH12 ARG 76 2HH1 ARG 76 -15.948 -9.067 -0.630 596 HH21 ARG 76 1HH2 ARG 76 -16.158 -5.590 -0.930 597 HH22 ARG 76 2HH2 ARG 76 -17.036 -7.081 -0.976 598 H LYS 77 H LYS 77 -10.586 -5.710 4.699 599 HA LYS 77 HA LYS 77 -12.345 -3.855 5.727 600 HB2 LYS 77 1HB LYS 77 -11.269 -5.888 6.867 601 HB3 LYS 77 2HB LYS 77 -9.939 -4.809 7.268 602 HG2 LYS 77 1HG LYS 77 -11.228 -3.540 8.710 603 HG3 LYS 77 2HG LYS 77 -12.746 -4.068 7.977 604 HD2 LYS 77 1HD LYS 77 -12.697 -5.238 9.985 605 HD3 LYS 77 2HD LYS 77 -12.073 -6.413 8.827 606 HE2 LYS 77 1HE LYS 77 -9.771 -5.746 9.475 607 HE3 LYS 77 2HE LYS 77 -10.460 -4.694 10.709 608 HZ1 LYS 77 3HZ LYS 77 -10.381 -6.451 12.043 609 HZ2 LYS 77 1HZ LYS 77 -10.032 -7.513 10.773 610 HZ3 LYS 77 2HZ LYS 77 -11.639 -7.126 11.134 611 H ARG 78 H ARG 78 -8.801 -3.597 5.535 612 HA ARG 78 HA ARG 78 -8.727 -0.962 6.620 613 HB2 ARG 78 1HB ARG 78 -6.696 -2.596 5.099 614 HB3 ARG 78 2HB ARG 78 -6.361 -0.987 5.723 615 HG2 ARG 78 1HG ARG 78 -7.398 -3.079 7.573 616 HG3 ARG 78 2HG ARG 78 -5.701 -3.107 7.089 617 HD2 ARG 78 1HD ARG 78 -5.418 -0.829 7.896 618 HD3 ARG 78 2HD ARG 78 -7.125 -0.756 8.331 619 HE ARG 78 HE ARG 78 -6.268 -2.874 9.740 620 HH11 ARG 78 1HH1 ARG 78 -5.023 0.357 9.383 621 HH12 ARG 78 2HH1 ARG 78 -4.331 0.406 10.970 622 HH21 ARG 78 1HH2 ARG 78 -5.361 -2.822 11.832 623 HH22 ARG 78 2HH2 ARG 78 -4.523 -1.402 12.363 624 H ALA 79 H ALA 79 -8.660 -2.294 3.345 625 HA ALA 79 HA ALA 79 -8.030 -0.150 1.804 626 HB1 ALA 79 3HB ALA 79 -8.613 -1.582 0.216 627 HB2 ALA 79 1HB ALA 79 -9.415 -2.594 1.418 628 HB3 ALA 79 2HB ALA 79 -10.316 -1.321 0.594 629 H GLU 80 H GLU 80 -11.433 -0.924 2.559 630 HA GLU 80 HA GLU 80 -12.582 1.410 1.688 631 HB2 GLU 80 1HB GLU 80 -14.440 0.934 3.200 632 HB3 GLU 80 2HB GLU 80 -13.870 -0.540 2.428 633 HG2 GLU 80 1HG GLU 80 -12.731 -1.218 4.420 634 HG3 GLU 80 2HG GLU 80 -13.077 0.325 5.197 635 H ILE 81 H ILE 81 -11.101 0.768 4.831 636 HA ILE 81 HA ILE 81 -11.812 3.168 6.096 637 HB ILE 81 HB ILE 81 -9.382 1.428 6.525 638 HG12 ILE 81 1HG1 ILE 81 -11.857 1.597 8.235 639 HG13 ILE 81 2HG1 ILE 81 -11.752 0.492 6.869 640 HG21 ILE 81 1HG2 ILE 81 -10.433 3.795 8.036 641 HG22 ILE 81 2HG2 ILE 81 -9.469 2.550 8.832 642 HG23 ILE 81 3HG2 ILE 81 -8.788 3.469 7.488 643 HD11 ILE 81 3HD1 ILE 81 -10.830 -0.980 8.234 644 HD12 ILE 81 1HD1 ILE 81 -9.420 0.074 8.338 645 HD13 ILE 81 2HD1 ILE 81 -10.716 0.214 9.527 646 H LEU 82 H LEU 82 -9.001 2.324 4.116 647 HA LEU 82 HA LEU 82 -7.563 4.705 4.459 648 HB2 LEU 82 1HB LEU 82 -7.654 2.846 2.088 649 HB3 LEU 82 2HB LEU 82 -6.443 4.102 2.342 650 HG LEU 82 HG LEU 82 -6.855 1.740 4.172 651 HD11 LEU 82 1HD1 LEU 82 -5.478 0.504 2.925 652 HD12 LEU 82 2HD1 LEU 82 -4.394 1.859 2.617 653 HD13 LEU 82 3HD1 LEU 82 -5.837 1.642 1.626 654 HD21 LEU 82 3HD2 LEU 82 -5.246 2.587 5.485 655 HD22 LEU 82 1HD2 LEU 82 -5.662 4.122 4.723 656 HD23 LEU 82 2HD2 LEU 82 -4.301 3.179 4.117 657 H LYS 83 H LYS 83 -9.983 3.788 2.035 658 HA LYS 83 HA LYS 83 -9.855 6.074 0.442 659 HB2 LYS 83 1HB LYS 83 -12.210 4.288 1.072 660 HB3 LYS 83 2HB LYS 83 -12.204 5.503 -0.198 661 HG2 LYS 83 1HG LYS 83 -10.631 4.330 -1.472 662 HG3 LYS 83 2HG LYS 83 -10.162 3.310 -0.110 663 HD2 LYS 83 1HD LYS 83 -12.648 2.539 -0.184 664 HD3 LYS 83 2HD LYS 83 -12.606 3.176 -1.829 665 HE2 LYS 83 1HE LYS 83 -10.970 1.646 -2.501 666 HE3 LYS 83 2HE LYS 83 -10.513 1.268 -0.841 667 HZ1 LYS 83 3HZ LYS 83 -13.245 0.663 -1.277 668 HZ2 LYS 83 1HZ LYS 83 -11.989 -0.363 -0.792 669 HZ3 LYS 83 2HZ LYS 83 -12.290 -0.115 -2.438 670 H LYS 84 H LYS 84 -11.862 5.405 3.293 671 HA LYS 84 HA LYS 84 -13.462 7.606 3.397 672 HB2 LYS 84 1HB LYS 84 -13.600 5.869 5.072 673 HB3 LYS 84 2HB LYS 84 -12.000 6.270 5.680 674 HG2 LYS 84 1HG LYS 84 -12.734 8.215 6.703 675 HG3 LYS 84 2HG LYS 84 -14.185 8.311 5.704 676 HD2 LYS 84 1HD LYS 84 -13.746 6.048 7.629 677 HD3 LYS 84 2HD LYS 84 -14.455 7.579 8.147 678 HE2 LYS 84 1HE LYS 84 -15.533 6.011 5.819 679 HE3 LYS 84 2HE LYS 84 -16.063 5.720 7.475 680 HZ1 LYS 84 3HZ LYS 84 -17.354 7.511 7.421 681 HZ2 LYS 84 1HZ LYS 84 -17.087 7.575 5.751 682 HZ3 LYS 84 2HZ LYS 84 -16.126 8.494 6.797 683 H GLU 85 H GLU 85 -10.158 7.428 4.724 684 HA GLU 85 HA GLU 85 -10.080 10.214 5.357 685 HB2 GLU 85 1HB GLU 85 -7.813 8.228 5.117 686 HB3 GLU 85 2HB GLU 85 -7.710 9.819 5.858 687 HG2 GLU 85 1HG GLU 85 -9.614 7.725 6.846 688 HG3 GLU 85 2HG GLU 85 -7.946 7.819 7.404 689 H ARG 86 H ARG 86 -8.505 8.231 2.853 690 HA ARG 86 HA ARG 86 -7.004 9.999 1.499 691 HB2 ARG 86 1HB ARG 86 -7.138 7.794 0.652 692 HB3 ARG 86 2HB ARG 86 -8.877 7.904 0.418 693 HG2 ARG 86 1HG ARG 86 -8.551 9.492 -1.396 694 HG3 ARG 86 2HG ARG 86 -6.805 9.430 -1.146 695 HD2 ARG 86 1HD ARG 86 -6.755 7.097 -1.753 696 HD3 ARG 86 2HD ARG 86 -8.514 7.051 -1.857 697 HE ARG 86 HE ARG 86 -6.708 7.941 -3.869 698 HH11 ARG 86 1HH1 ARG 86 -9.876 8.476 -2.532 699 HH12 ARG 86 2HH1 ARG 86 -10.535 9.103 -4.006 700 HH21 ARG 86 1HH2 ARG 86 -7.563 8.764 -5.816 701 HH22 ARG 86 2HH2 ARG 86 -9.219 9.266 -5.874 702 H SER 87 H SER 87 -10.527 9.693 1.116 703 HA SER 87 HA SER 87 -10.723 11.859 -0.730 704 HB2 SER 87 1HB SER 87 -12.368 9.856 -0.251 705 HB3 SER 87 2HB SER 87 -13.055 10.973 0.928 706 HG SER 87 HG SER 87 -14.134 11.399 -0.918 707 H GLU 88 H GLU 88 -9.868 13.727 0.077 708 HA GLU 88 HA GLU 88 -11.025 14.767 2.575 709 HB2 GLU 88 1HB GLU 88 -8.450 15.477 1.163 710 HB3 GLU 88 2HB GLU 88 -9.067 16.326 2.574 711 HG2 GLU 88 1HG GLU 88 -9.008 14.140 3.798 712 HG3 GLU 88 2HG GLU 88 -8.160 13.466 2.407 713 H SER 89 H SER 89 -10.322 15.532 -0.790 714 HA SER 89 HA SER 89 -11.750 18.075 -0.545 715 HB2 SER 89 1HB SER 89 -10.093 16.905 -2.790 716 HB3 SER 89 2HB SER 89 -10.943 18.446 -2.895 717 HG SER 89 HG SER 89 -8.572 18.234 -2.099 718 H GLY 90 H GLY 90 -11.756 15.164 -2.603 719 HA2 GLY 90 1HA GLY 90 -14.264 14.366 -2.646 720 HA3 GLY 90 2HA GLY 90 -14.434 15.861 -3.556 721 HA PRO 91 HA PRO 91 -13.379 12.284 -6.408 722 HB2 PRO 91 1HB PRO 91 -15.601 12.482 -7.955 723 HB3 PRO 91 2HB PRO 91 -15.532 11.487 -6.496 724 HG2 PRO 91 1HG PRO 91 -16.673 14.230 -6.865 725 HG3 PRO 91 2HG PRO 91 -17.339 12.852 -5.970 726 HD2 PRO 91 1HD PRO 91 -16.060 14.903 -4.747 727 HD3 PRO 91 2HD PRO 91 -16.002 13.239 -4.133 728 H SER 92 H SER 92 -13.614 15.568 -6.428 729 HA SER 92 HA SER 92 -13.856 16.607 -8.870 730 HB2 SER 92 1HB SER 92 -11.574 17.078 -6.945 731 HB3 SER 92 2HB SER 92 -11.854 18.076 -8.372 732 HG SER 92 HG SER 92 -13.922 18.567 -7.519 733 H SER 93 H SER 93 -13.359 15.800 -10.793 734 HA SER 93 HA SER 93 -11.201 13.989 -11.222 735 HB2 SER 93 1HB SER 93 -13.453 14.235 -12.521 736 HB3 SER 93 2HB SER 93 -12.580 15.449 -13.456 737 HG SER 93 HG SER 93 -12.556 13.066 -14.098 738 H GLY 94 H GLY 94 -11.723 17.419 -11.895 739 HA2 GLY 94 1HA GLY 94 -8.838 17.635 -12.491 740 HA3 GLY 94 2HA GLY 94 -10.038 18.506 -13.433 Start of MODEL 14 1 H1 GLY 1 H GLY 1 4.675 6.017 29.897 2 HA2 GLY 1 1HA GLY 1 5.649 7.840 28.664 3 HA3 GLY 1 2HA GLY 1 7.178 6.974 28.673 4 H SER 2 H SER 2 6.835 7.712 26.316 5 HA SER 2 HA SER 2 6.243 7.270 24.142 6 HB2 SER 2 1HB SER 2 6.773 4.943 23.471 7 HB3 SER 2 2HB SER 2 8.005 5.626 24.531 8 HG SER 2 HG SER 2 7.657 3.933 25.715 9 H SER 3 H SER 3 3.963 7.594 25.689 10 HA SER 3 HA SER 3 2.151 5.497 24.698 11 HB2 SER 3 1HB SER 3 1.944 7.395 27.032 12 HB3 SER 3 2HB SER 3 0.541 6.530 26.405 13 HG SER 3 HG SER 3 1.535 4.596 26.905 14 H GLY 4 H GLY 4 0.586 5.985 23.269 15 HA2 GLY 4 1HA GLY 4 -0.665 7.193 21.771 16 HA3 GLY 4 2HA GLY 4 -0.638 8.493 22.954 17 H SER 5 H SER 5 0.132 7.729 19.860 18 HA SER 5 HA SER 5 2.081 9.925 19.715 19 HB2 SER 5 1HB SER 5 3.354 8.719 18.009 20 HB3 SER 5 2HB SER 5 3.285 7.776 19.498 21 HG SER 5 HG SER 5 2.825 6.658 17.424 22 H SER 6 H SER 6 2.091 11.094 17.734 23 HA SER 6 HA SER 6 -0.436 10.840 16.243 24 HB2 SER 6 1HB SER 6 0.017 13.285 15.654 25 HB3 SER 6 2HB SER 6 -0.412 12.950 17.332 26 HG SER 6 HG SER 6 2.196 13.369 16.290 27 H GLY 7 H GLY 7 1.742 9.222 15.544 28 HA2 GLY 7 1HA GLY 7 2.890 10.507 13.165 29 HA3 GLY 7 2HA GLY 7 3.457 9.015 13.901 30 H ILE 8 H ILE 8 0.215 10.035 12.851 31 HA ILE 8 HA ILE 8 0.053 7.561 11.275 32 HB ILE 8 HB ILE 8 -2.167 9.360 12.254 33 HG12 ILE 8 1HG1 ILE 8 -2.638 7.033 13.471 34 HG13 ILE 8 2HG1 ILE 8 -0.894 6.877 13.300 35 HG21 ILE 8 1HG2 ILE 8 -3.563 8.308 10.883 36 HG22 ILE 8 2HG2 ILE 8 -2.160 7.577 10.104 37 HG23 ILE 8 3HG2 ILE 8 -2.980 6.731 11.416 38 HD11 ILE 8 3HD1 ILE 8 -1.693 9.473 14.327 39 HD12 ILE 8 1HD1 ILE 8 -2.215 8.133 15.347 40 HD13 ILE 8 2HD1 ILE 8 -0.509 8.321 14.944 41 H VAL 9 H VAL 9 -0.345 7.583 9.120 42 HA VAL 9 HA VAL 9 -1.308 9.881 7.724 43 HB VAL 9 HB VAL 9 1.056 10.552 8.139 44 HG11 VAL 9 1HG1 VAL 9 2.337 8.628 8.141 45 HG12 VAL 9 2HG1 VAL 9 1.560 7.983 6.694 46 HG13 VAL 9 3HG1 VAL 9 2.710 9.314 6.561 47 HG21 VAL 9 3HG2 VAL 9 0.803 10.074 5.205 48 HG22 VAL 9 1HG2 VAL 9 -0.406 11.063 6.026 49 HG23 VAL 9 2HG2 VAL 9 1.294 11.530 6.071 50 H LEU 10 H LEU 10 -1.322 9.522 5.341 51 HA LEU 10 HA LEU 10 -2.462 7.124 4.642 52 HB2 LEU 10 1HB LEU 10 -0.845 8.789 2.730 53 HB3 LEU 10 2HB LEU 10 -2.240 7.775 2.369 54 HG LEU 10 HG LEU 10 -2.259 10.385 3.884 55 HD11 LEU 10 1HD1 LEU 10 -2.854 9.585 1.088 56 HD12 LEU 10 2HD1 LEU 10 -2.138 11.070 1.717 57 HD13 LEU 10 3HD1 LEU 10 -3.878 10.810 1.837 58 HD21 LEU 10 3HD2 LEU 10 -3.896 8.668 4.702 59 HD22 LEU 10 1HD2 LEU 10 -4.615 8.687 3.092 60 HD23 LEU 10 2HD2 LEU 10 -4.617 10.151 4.075 61 H LEU 11 H LEU 11 0.931 7.980 4.713 62 HA LEU 11 HA LEU 11 2.009 5.914 3.196 63 HB2 LEU 11 1HB LEU 11 3.079 7.974 4.447 64 HB3 LEU 11 2HB LEU 11 3.386 6.767 5.694 65 HG LEU 11 HG LEU 11 5.263 7.251 4.046 66 HD11 LEU 11 1HD1 LEU 11 4.215 4.500 4.626 67 HD12 LEU 11 2HD1 LEU 11 5.517 5.380 5.426 68 HD13 LEU 11 3HD1 LEU 11 5.748 4.758 3.793 69 HD21 LEU 11 3HD2 LEU 11 5.105 6.701 1.864 70 HD22 LEU 11 1HD2 LEU 11 3.381 6.947 2.143 71 HD23 LEU 11 2HD2 LEU 11 4.055 5.318 2.175 72 H ARG 12 H ARG 12 1.132 5.980 6.627 73 HA ARG 12 HA ARG 12 2.125 3.649 7.577 74 HB2 ARG 12 1HB ARG 12 0.458 3.668 9.209 75 HB3 ARG 12 2HB ARG 12 0.535 5.348 8.696 76 HG2 ARG 12 1HG ARG 12 -1.365 4.637 7.057 77 HG3 ARG 12 2HG ARG 12 -1.580 3.309 8.199 78 HD2 ARG 12 1HD ARG 12 -1.489 5.291 9.952 79 HD3 ARG 12 2HD ARG 12 -2.030 6.225 8.558 80 HE ARG 12 HE ARG 12 -4.076 5.197 8.697 81 HH11 ARG 12 1HH1 ARG 12 -1.783 3.492 10.686 82 HH12 ARG 12 2HH1 ARG 12 -2.980 2.488 11.434 83 HH21 ARG 12 1HH2 ARG 12 -5.661 3.881 9.675 84 HH22 ARG 12 2HH2 ARG 12 -5.186 2.710 10.857 85 H GLY 13 H GLY 13 -0.296 4.001 5.125 86 HA2 GLY 13 1HA GLY 13 -1.767 1.748 5.096 87 HA3 GLY 13 2HA GLY 13 -1.047 2.397 3.629 88 H LEU 14 H LEU 14 1.690 1.872 4.674 89 HA LEU 14 HA LEU 14 1.859 -0.866 3.754 90 HB2 LEU 14 1HB LEU 14 4.023 1.056 4.595 91 HB3 LEU 14 2HB LEU 14 4.281 -0.510 3.829 92 HG LEU 14 HG LEU 14 2.861 1.820 2.539 93 HD11 LEU 14 1HD1 LEU 14 5.593 0.812 1.829 94 HD12 LEU 14 2HD1 LEU 14 5.362 2.068 3.045 95 HD13 LEU 14 3HD1 LEU 14 4.821 2.335 1.388 96 HD21 LEU 14 3HD2 LEU 14 3.902 -0.737 1.327 97 HD22 LEU 14 1HD2 LEU 14 2.982 0.535 0.520 98 HD23 LEU 14 2HD2 LEU 14 2.215 -0.454 1.763 99 H GLU 15 H GLU 15 3.119 0.900 6.590 100 HA GLU 15 HA GLU 15 4.041 -1.215 8.068 101 HB2 GLU 15 1HB GLU 15 2.628 1.261 9.073 102 HB3 GLU 15 2HB GLU 15 3.563 0.166 10.083 103 HG2 GLU 15 1HG GLU 15 5.579 0.796 9.126 104 HG3 GLU 15 2HG GLU 15 4.800 1.461 7.690 105 H CYS 16 H CYS 16 0.735 -0.245 7.527 106 HA CYS 16 HA CYS 16 -0.544 -1.592 9.600 107 HB2 CYS 16 1HB CYS 16 -1.333 -0.674 6.881 108 HB3 CYS 16 2HB CYS 16 -2.392 -1.828 7.683 109 HG CYS 16 HG CYS 16 -3.716 0.105 8.743 110 H ILE 17 H ILE 17 -0.096 -2.753 6.254 111 HA ILE 17 HA ILE 17 -0.929 -5.397 6.833 112 HB ILE 17 HB ILE 17 0.180 -5.950 4.627 113 HG12 ILE 17 1HG1 ILE 17 0.539 -2.956 4.440 114 HG13 ILE 17 2HG1 ILE 17 1.853 -4.062 4.825 115 HG21 ILE 17 1HG2 ILE 17 -2.207 -5.286 4.919 116 HG22 ILE 17 2HG2 ILE 17 -1.739 -3.630 4.537 117 HG23 ILE 17 3HG2 ILE 17 -1.538 -4.903 3.334 118 HD11 ILE 17 3HD1 ILE 17 0.603 -3.445 2.265 119 HD12 ILE 17 1HD1 ILE 17 2.212 -4.072 2.627 120 HD13 ILE 17 2HD1 ILE 17 0.832 -5.169 2.556 121 H ASN 18 H ASN 18 0.317 -7.319 6.915 122 HA ASN 18 HA ASN 18 2.832 -6.973 8.312 123 HB2 ASN 18 1HB ASN 18 2.691 -9.462 8.595 124 HB3 ASN 18 2HB ASN 18 1.309 -8.584 9.243 125 HD21 ASN 18 1HD2 ASN 18 0.320 -10.730 9.093 126 HD22 ASN 18 2HD2 ASN 18 -0.411 -11.198 7.600 127 H LYS 19 H LYS 19 4.810 -7.883 7.687 128 HA LYS 19 HA LYS 19 5.780 -7.506 5.228 129 HB2 LYS 19 1HB LYS 19 6.502 -9.874 6.965 130 HB3 LYS 19 2HB LYS 19 7.492 -9.221 5.666 131 HG2 LYS 19 1HG LYS 19 6.653 -7.478 7.942 132 HG3 LYS 19 2HG LYS 19 8.020 -8.582 8.111 133 HD2 LYS 19 1HD LYS 19 9.124 -7.544 6.215 134 HD3 LYS 19 2HD LYS 19 7.733 -6.489 5.955 135 HE2 LYS 19 1HE LYS 19 8.201 -5.195 7.799 136 HE3 LYS 19 2HE LYS 19 9.074 -6.489 8.618 137 HZ1 LYS 19 3HZ LYS 19 10.945 -6.160 7.248 138 HZ2 LYS 19 1HZ LYS 19 10.466 -4.615 7.742 139 HZ3 LYS 19 2HZ LYS 19 10.102 -5.155 6.181 140 H HIS 20 H HIS 20 3.871 -10.281 6.209 141 HA HIS 20 HA HIS 20 4.268 -12.010 4.098 142 HB2 HIS 20 1HB HIS 20 2.885 -12.518 6.086 143 HB3 HIS 20 2HB HIS 20 1.636 -11.436 5.477 144 HD1 HIS 20 HD1 HIS 20 3.560 -14.287 3.830 145 HD2 HIS 20 HD2 HIS 20 -0.331 -12.984 4.479 146 HE1 HIS 20 HE1 HIS 20 2.088 -15.958 2.663 147 HE2 HIS 20 HE2 HIS 20 -0.258 -15.103 2.997 148 H TYR 21 H TYR 21 1.715 -9.526 4.309 149 HA TYR 21 HA TYR 21 0.964 -9.845 1.572 150 HB2 TYR 21 1HB TYR 21 0.245 -7.899 3.743 151 HB3 TYR 21 2HB TYR 21 -0.263 -7.605 2.084 152 HD1 TYR 21 HD1 TYR 21 -1.106 -10.094 1.032 153 HD2 TYR 21 HD2 TYR 21 -1.511 -8.666 5.019 154 HE1 TYR 21 HE1 TYR 21 -3.042 -11.575 1.359 155 HE2 TYR 21 HE2 TYR 21 -3.447 -10.144 5.358 156 HH TYR 21 HH TYR 21 -4.211 -12.476 4.181 157 H PHE 22 H PHE 22 2.722 -7.324 3.362 158 HA PHE 22 HA PHE 22 3.197 -5.458 1.464 159 HB2 PHE 22 1HB PHE 22 4.077 -5.296 3.742 160 HB3 PHE 22 2HB PHE 22 5.249 -6.561 3.393 161 HD1 PHE 22 HD1 PHE 22 4.189 -3.515 1.520 162 HD2 PHE 22 HD2 PHE 22 7.360 -5.660 3.380 163 HE1 PHE 22 HE1 PHE 22 5.789 -1.813 0.748 164 HE2 PHE 22 HE2 PHE 22 8.965 -3.960 2.612 165 HZ PHE 22 HZ PHE 22 8.179 -2.033 1.295 166 H SER 23 H SER 23 5.021 -8.482 1.844 167 HA SER 23 HA SER 23 6.943 -8.172 -0.087 168 HB2 SER 23 1HB SER 23 6.531 -10.160 1.492 169 HB3 SER 23 2HB SER 23 5.460 -10.777 0.235 170 HG SER 23 HG SER 23 7.216 -11.540 -0.615 171 H LEU 24 H LEU 24 3.578 -9.168 -0.531 172 HA LEU 24 HA LEU 24 3.739 -9.754 -3.278 173 HB2 LEU 24 1HB LEU 24 1.472 -8.940 -1.487 174 HB3 LEU 24 2HB LEU 24 1.234 -9.245 -3.205 175 HG LEU 24 HG LEU 24 2.367 -11.548 -2.618 176 HD11 LEU 24 1HD1 LEU 24 2.686 -11.980 -0.469 177 HD12 LEU 24 2HD1 LEU 24 0.981 -11.678 -0.137 178 HD13 LEU 24 3HD1 LEU 24 2.141 -10.352 -0.064 179 HD21 LEU 24 3HD2 LEU 24 0.301 -12.449 -2.833 180 HD22 LEU 24 1HD2 LEU 24 -0.118 -10.786 -3.244 181 HD23 LEU 24 2HD2 LEU 24 -0.410 -11.390 -1.613 182 H PHE 25 H PHE 25 2.512 -6.824 -1.653 183 HA PHE 25 HA PHE 25 1.909 -5.248 -3.779 184 HB2 PHE 25 1HB PHE 25 1.825 -4.687 -1.275 185 HB3 PHE 25 2HB PHE 25 3.488 -4.143 -1.463 186 HD1 PHE 25 HD1 PHE 25 0.536 -3.772 -3.700 187 HD2 PHE 25 HD2 PHE 25 3.466 -1.844 -1.288 188 HE1 PHE 25 HE1 PHE 25 -0.275 -1.581 -4.472 189 HE2 PHE 25 HE2 PHE 25 2.659 0.350 -2.056 190 HZ PHE 25 HZ PHE 25 0.786 0.484 -3.649 191 H LYS 26 H LYS 26 5.150 -5.689 -2.394 192 HA LYS 26 HA LYS 26 6.544 -3.936 -4.049 193 HB2 LYS 26 1HB LYS 26 7.271 -6.364 -2.479 194 HB3 LYS 26 2HB LYS 26 8.442 -5.748 -3.636 195 HG2 LYS 26 1HG LYS 26 8.394 -3.571 -2.528 196 HG3 LYS 26 2HG LYS 26 7.221 -4.191 -1.365 197 HD2 LYS 26 1HD LYS 26 9.856 -5.564 -1.755 198 HD3 LYS 26 2HD LYS 26 9.730 -4.139 -0.722 199 HE2 LYS 26 1HE LYS 26 7.730 -5.446 0.337 200 HE3 LYS 26 2HE LYS 26 8.523 -6.849 -0.378 201 HZ1 LYS 26 3HZ LYS 26 10.308 -5.111 1.065 202 HZ2 LYS 26 1HZ LYS 26 10.139 -6.793 1.139 203 HZ3 LYS 26 2HZ LYS 26 9.107 -5.800 2.036 204 H SER 27 H SER 27 5.848 -7.390 -4.505 205 HA SER 27 HA SER 27 7.232 -7.782 -6.883 206 HB2 SER 27 1HB SER 27 4.852 -9.091 -5.626 207 HB3 SER 27 2HB SER 27 5.295 -9.526 -7.276 208 HG SER 27 HG SER 27 7.051 -9.609 -5.047 209 H LEU 28 H LEU 28 4.153 -6.255 -6.292 210 HA LEU 28 HA LEU 28 3.384 -6.206 -9.069 211 HB2 LEU 28 1HB LEU 28 2.239 -4.579 -6.810 212 HB3 LEU 28 2HB LEU 28 1.476 -4.961 -8.352 213 HG LEU 28 HG LEU 28 2.191 -7.159 -6.452 214 HD11 LEU 28 1HD1 LEU 28 0.553 -6.720 -4.997 215 HD12 LEU 28 2HD1 LEU 28 -0.556 -6.192 -6.262 216 HD13 LEU 28 3HD1 LEU 28 0.638 -5.069 -5.612 217 HD21 LEU 28 3HD2 LEU 28 -0.254 -7.614 -7.677 218 HD22 LEU 28 1HD2 LEU 28 1.301 -8.310 -8.135 219 HD23 LEU 28 2HD2 LEU 28 0.723 -6.843 -8.926 220 H LEU 29 H LEU 29 4.356 -3.737 -6.689 221 HA LEU 29 HA LEU 29 4.505 -1.633 -8.583 222 HB2 LEU 29 1HB LEU 29 5.361 -2.042 -5.767 223 HB3 LEU 29 2HB LEU 29 6.082 -0.704 -6.661 224 HG LEU 29 HG LEU 29 4.217 0.095 -5.359 225 HD11 LEU 29 1HD1 LEU 29 3.486 1.468 -6.969 226 HD12 LEU 29 2HD1 LEU 29 2.899 0.143 -7.972 227 HD13 LEU 29 3HD1 LEU 29 4.605 0.586 -8.009 228 HD21 LEU 29 3HD2 LEU 29 1.890 -0.754 -6.115 229 HD22 LEU 29 1HD2 LEU 29 2.825 -1.713 -4.967 230 HD23 LEU 29 2HD2 LEU 29 2.775 -2.177 -6.668 231 H ALA 30 H ALA 30 6.603 -4.221 -7.811 232 HA ALA 30 HA ALA 30 9.143 -3.462 -8.130 233 HB1 ALA 30 3HB ALA 30 9.637 -5.546 -9.165 234 HB2 ALA 30 1HB ALA 30 8.282 -5.818 -8.070 235 HB3 ALA 30 2HB ALA 30 8.000 -5.687 -9.807 236 H ARG 31 H ARG 31 6.948 -3.926 -10.903 237 HA ARG 31 HA ARG 31 8.675 -3.159 -12.924 238 HB2 ARG 31 1HB ARG 31 6.560 -2.457 -14.146 239 HB3 ARG 31 2HB ARG 31 6.606 -4.112 -13.553 240 HG2 ARG 31 1HG ARG 31 5.439 -2.942 -11.455 241 HG3 ARG 31 2HG ARG 31 4.904 -1.846 -12.730 242 HD2 ARG 31 1HD ARG 31 4.681 -4.765 -13.223 243 HD3 ARG 31 2HD ARG 31 3.549 -4.037 -12.085 244 HE ARG 31 HE ARG 31 3.717 -2.580 -14.537 245 HH11 ARG 31 1HH1 ARG 31 2.280 -5.354 -13.000 246 HH12 ARG 31 2HH1 ARG 31 0.908 -5.392 -14.058 247 HH21 ARG 31 1HH2 ARG 31 1.916 -2.621 -15.936 248 HH22 ARG 31 2HH2 ARG 31 0.702 -3.838 -15.728 249 H ASP 32 H ASP 32 6.209 -1.066 -11.414 250 HA ASP 32 HA ASP 32 7.099 1.321 -12.568 251 HB2 ASP 32 1HB ASP 32 5.548 0.774 -10.037 252 HB3 ASP 32 2HB ASP 32 5.876 2.405 -10.616 253 H LEU 33 H LEU 33 7.552 0.308 -9.174 254 HA LEU 33 HA LEU 33 9.434 2.277 -8.538 255 HB2 LEU 33 1HB LEU 33 8.947 -0.449 -7.357 256 HB3 LEU 33 2HB LEU 33 10.059 0.729 -6.660 257 HG LEU 33 HG LEU 33 7.100 1.185 -7.025 258 HD11 LEU 33 1HD1 LEU 33 8.386 0.770 -4.372 259 HD12 LEU 33 2HD1 LEU 33 7.969 -0.636 -5.351 260 HD13 LEU 33 3HD1 LEU 33 6.715 0.507 -4.871 261 HD21 LEU 33 3HD2 LEU 33 7.421 3.119 -5.652 262 HD22 LEU 33 1HD2 LEU 33 8.572 3.196 -6.986 263 HD23 LEU 33 2HD2 LEU 33 9.115 2.707 -5.380 264 H ASN 34 H ASN 34 9.746 -0.496 -10.467 265 HA ASN 34 HA ASN 34 11.501 -1.410 -11.589 266 HB2 ASN 34 1HB ASN 34 12.066 1.052 -11.895 267 HB3 ASN 34 2HB ASN 34 13.193 0.865 -10.555 268 HD21 ASN 34 1HD2 ASN 34 14.948 1.346 -11.873 269 HD22 ASN 34 2HD2 ASN 34 15.560 0.220 -13.031 270 H LEU 35 H LEU 35 10.943 -2.260 -8.940 271 HA LEU 35 HA LEU 35 13.289 -2.509 -7.377 272 HB2 LEU 35 1HB LEU 35 10.951 -4.403 -7.384 273 HB3 LEU 35 2HB LEU 35 12.072 -4.078 -6.064 274 HG LEU 35 HG LEU 35 10.240 -1.950 -7.132 275 HD11 LEU 35 1HD1 LEU 35 8.449 -2.804 -6.130 276 HD12 LEU 35 2HD1 LEU 35 9.358 -3.177 -4.665 277 HD13 LEU 35 3HD1 LEU 35 9.342 -4.320 -6.008 278 HD21 LEU 35 3HD2 LEU 35 12.253 -1.483 -5.626 279 HD22 LEU 35 1HD2 LEU 35 11.330 -2.287 -4.356 280 HD23 LEU 35 2HD2 LEU 35 10.691 -0.834 -5.125 281 H GLU 36 H GLU 36 14.443 -4.518 -6.916 282 HA GLU 36 HA GLU 36 15.116 -5.890 -9.383 283 HB2 GLU 36 1HB GLU 36 16.369 -5.561 -6.710 284 HB3 GLU 36 2HB GLU 36 16.752 -7.031 -7.595 285 HG2 GLU 36 1HG GLU 36 16.959 -4.452 -9.043 286 HG3 GLU 36 2HG GLU 36 18.187 -4.828 -7.836 287 H ARG 37 H ARG 37 13.923 -7.583 -9.956 288 HA ARG 37 HA ARG 37 12.082 -9.016 -8.676 289 HB2 ARG 37 1HB ARG 37 12.687 -10.986 -10.061 290 HB3 ARG 37 2HB ARG 37 12.638 -9.486 -10.979 291 HG2 ARG 37 1HG ARG 37 15.240 -10.391 -9.858 292 HG3 ARG 37 2HG ARG 37 14.593 -11.203 -11.286 293 HD2 ARG 37 1HD ARG 37 14.276 -8.816 -12.216 294 HD3 ARG 37 2HD ARG 37 15.399 -8.336 -10.945 295 HE ARG 37 HE ARG 37 16.532 -10.475 -12.333 296 HH11 ARG 37 1HH1 ARG 37 15.626 -7.160 -12.885 297 HH12 ARG 37 2HH1 ARG 37 16.844 -6.891 -14.088 298 HH21 ARG 37 1HH2 ARG 37 18.140 -10.134 -13.915 299 HH22 ARG 37 2HH2 ARG 37 18.273 -8.584 -14.673 300 H ASP 38 H ASP 38 15.529 -9.315 -8.156 301 HA ASP 38 HA ASP 38 15.150 -11.546 -6.311 302 HB2 ASP 38 1HB ASP 38 17.074 -11.362 -8.018 303 HB3 ASP 38 2HB ASP 38 17.771 -10.189 -6.905 304 H ASN 39 H ASN 39 16.734 -8.348 -6.242 305 HA ASN 39 HA ASN 39 16.758 -8.335 -3.358 306 HB2 ASN 39 1HB ASN 39 17.681 -6.432 -5.490 307 HB3 ASN 39 2HB ASN 39 17.580 -5.905 -3.812 308 HD21 ASN 39 1HD2 ASN 39 18.394 -8.080 -2.435 309 HD22 ASN 39 2HD2 ASN 39 20.033 -8.462 -2.827 310 H GLN 40 H GLN 40 14.174 -8.631 -4.121 311 HA GLN 40 HA GLN 40 12.867 -6.043 -4.146 312 HB2 GLN 40 1HB GLN 40 12.043 -8.859 -4.539 313 HB3 GLN 40 2HB GLN 40 10.831 -7.788 -3.848 314 HG2 GLN 40 1HG GLN 40 10.649 -6.535 -5.746 315 HG3 GLN 40 2HG GLN 40 12.297 -6.881 -6.266 316 HE21 GLN 40 1HE2 GLN 40 10.180 -7.009 -8.014 317 HE22 GLN 40 2HE2 GLN 40 9.917 -8.653 -8.479 318 H GLU 41 H GLU 41 13.029 -8.868 -1.994 319 HA GLU 41 HA GLU 41 11.483 -7.677 0.072 320 HB2 GLU 41 1HB GLU 41 12.267 -9.555 1.455 321 HB3 GLU 41 2HB GLU 41 11.680 -10.095 -0.111 322 HG2 GLU 41 1HG GLU 41 14.227 -9.882 -0.753 323 HG3 GLU 41 2HG GLU 41 14.437 -10.090 0.984 324 H GLN 42 H GLN 42 14.945 -7.938 -0.558 325 HA GLN 42 HA GLN 42 16.060 -7.136 1.792 326 HB2 GLN 42 1HB GLN 42 17.930 -6.337 0.559 327 HB3 GLN 42 2HB GLN 42 17.254 -7.673 -0.363 328 HG2 GLN 42 1HG GLN 42 16.553 -6.335 -2.062 329 HG3 GLN 42 2HG GLN 42 16.324 -4.935 -1.014 330 HE21 GLN 42 1HE2 GLN 42 17.445 -3.574 -2.391 331 HE22 GLN 42 2HE2 GLN 42 19.161 -3.647 -2.572 332 H TYR 43 H TYR 43 14.003 -5.290 -0.250 333 HA TYR 43 HA TYR 43 14.799 -2.700 0.638 334 HB2 TYR 43 1HB TYR 43 12.378 -3.756 -0.805 335 HB3 TYR 43 2HB TYR 43 12.482 -2.072 -0.301 336 HD1 TYR 43 HD1 TYR 43 15.018 -1.103 -0.913 337 HD2 TYR 43 HD2 TYR 43 12.820 -4.061 -3.039 338 HE1 TYR 43 HE1 TYR 43 16.281 -0.566 -2.953 339 HE2 TYR 43 HE2 TYR 43 14.079 -3.534 -5.085 340 HH TYR 43 HH TYR 43 15.932 -0.773 -5.442 341 H THR 44 H THR 44 13.293 -1.227 1.811 342 HA THR 44 HA THR 44 11.891 -2.657 3.975 343 HB THR 44 HB THR 44 12.525 -0.799 5.489 344 HG1 THR 44 HG1 THR 44 13.055 0.915 4.277 345 HG21 THR 44 3HG2 THR 44 14.885 -2.154 4.182 346 HG22 THR 44 1HG2 THR 44 13.855 -2.869 5.421 347 HG23 THR 44 2HG2 THR 44 14.847 -1.463 5.803 348 H THR 45 H THR 45 9.979 -1.775 4.744 349 HA THR 45 HA THR 45 8.136 -0.735 3.117 350 HB THR 45 HB THR 45 7.030 0.343 5.092 351 HG1 THR 45 HG1 THR 45 8.095 0.099 7.113 352 HG21 THR 45 3HG2 THR 45 6.287 -1.785 5.101 353 HG22 THR 45 1HG2 THR 45 7.350 -1.967 6.495 354 HG23 THR 45 2HG2 THR 45 7.904 -2.456 4.895 355 H ILE 46 H ILE 46 10.651 1.122 4.719 356 HA ILE 46 HA ILE 46 9.642 3.690 4.047 357 HB ILE 46 HB ILE 46 12.510 2.922 4.602 358 HG12 ILE 46 1HG1 ILE 46 11.727 3.959 6.918 359 HG13 ILE 46 2HG1 ILE 46 10.155 3.379 6.379 360 HG21 ILE 46 1HG2 ILE 46 12.571 5.325 5.426 361 HG22 ILE 46 2HG2 ILE 46 12.494 5.085 3.682 362 HG23 ILE 46 3HG2 ILE 46 11.043 5.543 4.573 363 HD11 ILE 46 3HD1 ILE 46 10.662 1.336 7.038 364 HD12 ILE 46 1HD1 ILE 46 12.081 1.318 5.992 365 HD13 ILE 46 2HD1 ILE 46 12.209 1.933 7.640 366 H GLN 47 H GLN 47 12.614 2.164 2.801 367 HA GLN 47 HA GLN 47 13.092 3.755 0.655 368 HB2 GLN 47 1HB GLN 47 13.385 0.746 0.702 369 HB3 GLN 47 2HB GLN 47 14.196 1.835 -0.416 370 HG2 GLN 47 1HG GLN 47 15.031 2.939 1.836 371 HG3 GLN 47 2HG GLN 47 14.725 1.317 2.454 372 HE21 GLN 47 1HE2 GLN 47 15.900 -0.430 1.597 373 HE22 GLN 47 2HE2 GLN 47 17.405 -0.187 0.785 374 H ILE 48 H ILE 48 10.790 1.079 0.797 375 HA ILE 48 HA ILE 48 10.056 1.177 -1.943 376 HB ILE 48 HB ILE 48 8.639 0.039 0.463 377 HG12 ILE 48 1HG1 ILE 48 10.708 -1.101 -0.166 378 HG13 ILE 48 2HG1 ILE 48 9.315 -2.115 -0.526 379 HG21 ILE 48 1HG2 ILE 48 7.552 -1.192 -1.737 380 HG22 ILE 48 2HG2 ILE 48 6.783 0.072 -0.779 381 HG23 ILE 48 3HG2 ILE 48 7.667 0.492 -2.246 382 HD11 ILE 48 3HD1 ILE 48 11.033 -0.579 -2.444 383 HD12 ILE 48 1HD1 ILE 48 10.782 -2.321 -2.352 384 HD13 ILE 48 2HD1 ILE 48 9.475 -1.269 -2.895 385 H ALA 49 H ALA 49 8.760 2.671 0.983 386 HA ALA 49 HA ALA 49 6.449 3.784 -0.216 387 HB1 ALA 49 3HB ALA 49 6.902 3.455 2.259 388 HB2 ALA 49 1HB ALA 49 7.866 4.929 2.175 389 HB3 ALA 49 2HB ALA 49 6.145 4.977 1.790 390 H ASN 50 H ASN 50 9.522 5.334 0.740 391 HA ASN 50 HA ASN 50 9.128 7.857 -0.200 392 HB2 ASN 50 1HB ASN 50 11.619 6.157 -0.244 393 HB3 ASN 50 2HB ASN 50 11.632 7.853 -0.718 394 HD21 ASN 50 1HD2 ASN 50 11.378 5.608 1.889 395 HD22 ASN 50 2HD2 ASN 50 11.464 6.762 3.173 396 H MET 51 H MET 51 10.557 5.213 -2.125 397 HA MET 51 HA MET 51 10.774 6.523 -4.541 398 HB2 MET 51 1HB MET 51 10.164 3.628 -3.948 399 HB3 MET 51 2HB MET 51 10.489 4.222 -5.571 400 HG2 MET 51 1HG MET 51 12.652 5.184 -4.447 401 HG3 MET 51 2HG MET 51 12.328 3.930 -3.253 402 HE1 MET 51 3HE MET 51 13.054 0.680 -4.872 403 HE2 MET 51 1HE MET 51 13.837 1.653 -3.627 404 HE3 MET 51 2HE MET 51 12.078 1.547 -3.686 405 H MET 52 H MET 52 7.939 5.068 -3.066 406 HA MET 52 HA MET 52 6.287 5.329 -5.392 407 HB2 MET 52 1HB MET 52 5.720 4.730 -2.495 408 HB3 MET 52 2HB MET 52 4.428 4.922 -3.672 409 HG2 MET 52 1HG MET 52 5.497 3.111 -5.018 410 HG3 MET 52 2HG MET 52 6.607 2.853 -3.674 411 HE1 MET 52 3HE MET 52 2.844 1.600 -4.879 412 HE2 MET 52 1HE MET 52 2.087 2.482 -3.551 413 HE3 MET 52 2HE MET 52 3.096 3.339 -4.717 414 H GLU 53 H GLU 53 6.887 7.239 -2.492 415 HA GLU 53 HA GLU 53 4.796 9.069 -2.711 416 HB2 GLU 53 1HB GLU 53 7.498 9.103 -1.459 417 HB3 GLU 53 2HB GLU 53 6.661 10.638 -1.637 418 HG2 GLU 53 1HG GLU 53 5.313 8.282 -0.379 419 HG3 GLU 53 2HG GLU 53 6.387 9.327 0.550 420 H GLU 54 H GLU 54 7.915 8.954 -4.330 421 HA GLU 54 HA GLU 54 7.510 11.526 -5.600 422 HB2 GLU 54 1HB GLU 54 9.673 9.439 -5.904 423 HB3 GLU 54 2HB GLU 54 9.656 10.971 -6.768 424 HG2 GLU 54 1HG GLU 54 9.495 12.022 -4.412 425 HG3 GLU 54 2HG GLU 54 10.071 10.451 -3.857 426 H LYS 55 H LYS 55 7.636 8.117 -6.577 427 HA LYS 55 HA LYS 55 7.316 8.357 -9.297 428 HB2 LYS 55 1HB LYS 55 6.329 6.305 -7.337 429 HB3 LYS 55 2HB LYS 55 5.965 6.157 -9.052 430 HG2 LYS 55 1HG LYS 55 8.783 6.533 -8.122 431 HG3 LYS 55 2HG LYS 55 8.025 4.939 -8.094 432 HD2 LYS 55 1HD LYS 55 8.019 6.650 -10.564 433 HD3 LYS 55 2HD LYS 55 9.369 5.580 -10.177 434 HE2 LYS 55 1HE LYS 55 7.820 3.677 -10.105 435 HE3 LYS 55 2HE LYS 55 6.487 4.754 -10.518 436 HZ1 LYS 55 3HZ LYS 55 7.854 5.311 -12.568 437 HZ2 LYS 55 1HZ LYS 55 7.121 3.786 -12.525 438 HZ3 LYS 55 2HZ LYS 55 8.774 3.940 -12.202 439 H PHE 56 H PHE 56 4.670 7.990 -6.930 440 HA PHE 56 HA PHE 56 2.860 9.205 -8.909 441 HB2 PHE 56 1HB PHE 56 1.798 7.727 -6.547 442 HB3 PHE 56 2HB PHE 56 1.141 7.863 -8.174 443 HD1 PHE 56 HD2 PHE 56 1.946 6.422 -9.966 444 HD2 PHE 56 HD1 PHE 56 3.388 6.025 -5.981 445 HE1 PHE 56 HE2 PHE 56 2.867 4.208 -10.522 446 HE2 PHE 56 HE1 PHE 56 4.312 3.812 -6.530 447 HZ PHE 56 HZ PHE 56 4.050 2.900 -8.804 448 HA PRO 57 HA PRO 57 3.296 12.397 -5.626 449 HB2 PRO 57 1HB PRO 57 3.081 14.490 -7.341 450 HB3 PRO 57 2HB PRO 57 4.610 13.662 -7.023 451 HG2 PRO 57 1HG PRO 57 2.716 13.329 -9.318 452 HG3 PRO 57 2HG PRO 57 4.488 13.416 -9.333 453 HD2 PRO 57 1HD PRO 57 3.141 11.072 -9.501 454 HD3 PRO 57 2HD PRO 57 4.725 11.208 -8.711 455 H ALA 58 H ALA 58 0.865 11.213 -7.518 456 HA ALA 58 HA ALA 58 -1.078 13.306 -6.959 457 HB1 ALA 58 3HB ALA 58 -2.621 11.992 -8.267 458 HB2 ALA 58 1HB ALA 58 -1.090 12.133 -9.132 459 HB3 ALA 58 2HB ALA 58 -1.496 10.634 -8.293 460 H ASP 59 H ASP 59 -0.777 9.815 -6.285 461 HA ASP 59 HA ASP 59 -2.537 10.201 -3.957 462 HB2 ASP 59 1HB ASP 59 -1.882 7.523 -5.157 463 HB3 ASP 59 2HB ASP 59 -3.270 7.982 -4.176 464 H SER 60 H SER 60 0.654 9.627 -4.878 465 HA SER 60 HA SER 60 2.555 9.132 -3.733 466 HB2 SER 60 1HB SER 60 0.836 9.572 -1.281 467 HB3 SER 60 2HB SER 60 2.599 9.570 -1.327 468 HG SER 60 HG SER 60 1.063 11.337 -2.909 469 H GLY 61 H GLY 61 0.708 7.011 -4.494 470 HA2 GLY 61 1HA GLY 61 1.003 4.691 -4.353 471 HA3 GLY 61 2HA GLY 61 1.853 4.914 -2.831 472 H LEU 62 H LEU 62 -0.668 6.753 -2.276 473 HA LEU 62 HA LEU 62 -1.939 5.055 -0.490 474 HB2 LEU 62 1HB LEU 62 -2.223 7.393 -0.257 475 HB3 LEU 62 2HB LEU 62 -2.885 7.545 -1.884 476 HG LEU 62 HG LEU 62 -4.880 6.246 -1.097 477 HD11 LEU 62 1HD1 LEU 62 -5.235 5.748 1.134 478 HD12 LEU 62 2HD1 LEU 62 -3.996 6.873 1.690 479 HD13 LEU 62 3HD1 LEU 62 -3.528 5.355 0.923 480 HD21 LEU 62 3HD2 LEU 62 -5.734 8.291 -0.992 481 HD22 LEU 62 1HD2 LEU 62 -4.150 8.967 -0.605 482 HD23 LEU 62 2HD2 LEU 62 -5.207 8.400 0.688 483 H GLY 63 H GLY 63 -2.897 5.910 -3.808 484 HA2 GLY 63 1HA GLY 63 -5.239 4.297 -3.816 485 HA3 GLY 63 2HA GLY 63 -4.433 4.959 -5.231 486 H LYS 64 H LYS 64 -2.069 3.797 -5.374 487 HA LYS 64 HA LYS 64 -2.502 1.307 -6.453 488 HB2 LYS 64 1HB LYS 64 -0.397 2.898 -6.449 489 HB3 LYS 64 2HB LYS 64 0.127 1.848 -5.138 490 HG2 LYS 64 1HG LYS 64 1.088 0.906 -7.030 491 HG3 LYS 64 2HG LYS 64 -0.347 -0.084 -6.752 492 HD2 LYS 64 1HD LYS 64 -1.545 1.036 -8.485 493 HD3 LYS 64 2HD LYS 64 -0.284 2.261 -8.645 494 HE2 LYS 64 1HE LYS 64 -0.168 0.624 -10.454 495 HE3 LYS 64 2HE LYS 64 1.274 0.563 -9.441 496 HZ1 LYS 64 3HZ LYS 64 -0.939 -1.374 -9.626 497 HZ2 LYS 64 1HZ LYS 64 0.008 -1.296 -8.226 498 HZ3 LYS 64 2HZ LYS 64 0.729 -1.649 -9.714 499 H LEU 65 H LEU 65 -1.745 2.139 -3.123 500 HA LEU 65 HA LEU 65 -1.338 -0.555 -2.262 501 HB2 LEU 65 1HB LEU 65 -0.445 1.520 -1.148 502 HB3 LEU 65 2HB LEU 65 -2.079 1.812 -0.556 503 HG LEU 65 HG LEU 65 -0.547 0.781 1.113 504 HD11 LEU 65 1HD1 LEU 65 -3.161 0.413 0.803 505 HD12 LEU 65 2HD1 LEU 65 -2.240 -0.374 2.084 506 HD13 LEU 65 3HD1 LEU 65 -2.635 -1.260 0.611 507 HD21 LEU 65 3HD2 LEU 65 -0.799 -1.887 -0.062 508 HD22 LEU 65 1HD2 LEU 65 0.567 -1.129 0.758 509 HD23 LEU 65 2HD2 LEU 65 0.273 -0.804 -0.951 510 H ILE 66 H ILE 66 -4.019 1.759 -1.926 511 HA ILE 66 HA ILE 66 -5.793 0.275 -0.459 512 HB ILE 66 HB ILE 66 -6.279 2.200 -2.717 513 HG12 ILE 66 1HG1 ILE 66 -7.137 2.601 0.115 514 HG13 ILE 66 2HG1 ILE 66 -5.423 2.731 -0.261 515 HG21 ILE 66 1HG2 ILE 66 -8.158 0.705 -2.770 516 HG22 ILE 66 2HG2 ILE 66 -8.338 0.801 -1.019 517 HG23 ILE 66 3HG2 ILE 66 -8.663 2.218 -2.017 518 HD11 ILE 66 3HD1 ILE 66 -5.842 4.502 -1.815 519 HD12 ILE 66 1HD1 ILE 66 -7.585 4.301 -1.640 520 HD13 ILE 66 2HD1 ILE 66 -6.623 4.890 -0.282 521 H GLU 67 H GLU 67 -5.468 0.244 -4.008 522 HA GLU 67 HA GLU 67 -7.421 -1.650 -4.564 523 HB2 GLU 67 1HB GLU 67 -4.833 -1.016 -5.979 524 HB3 GLU 67 2HB GLU 67 -6.023 -2.137 -6.625 525 HG2 GLU 67 1HG GLU 67 -7.653 -0.113 -6.266 526 HG3 GLU 67 2HG GLU 67 -6.158 0.817 -6.342 527 H PHE 68 H PHE 68 -4.012 -2.106 -3.734 528 HA PHE 68 HA PHE 68 -3.843 -4.859 -4.143 529 HB2 PHE 68 1HB PHE 68 -1.823 -3.665 -3.774 530 HB3 PHE 68 2HB PHE 68 -2.398 -3.020 -2.241 531 HD1 PHE 68 HD1 PHE 68 -1.603 -6.254 -3.903 532 HD2 PHE 68 HD2 PHE 68 -1.750 -4.034 -0.274 533 HE1 PHE 68 HE1 PHE 68 -0.524 -8.122 -2.721 534 HE2 PHE 68 HE2 PHE 68 -0.670 -5.898 0.914 535 HZ PHE 68 HZ PHE 68 -0.055 -7.946 -0.309 536 H CYS 69 H CYS 69 -5.136 -3.019 -1.458 537 HA CYS 69 HA CYS 69 -5.372 -5.245 0.319 538 HB2 CYS 69 1HB CYS 69 -6.740 -2.546 0.360 539 HB3 CYS 69 2HB CYS 69 -6.767 -3.714 1.676 540 HG CYS 69 HG CYS 69 -3.655 -3.056 0.780 541 H GLU 70 H GLU 70 -7.496 -3.650 -1.992 542 HA GLU 70 HA GLU 70 -9.910 -4.863 -1.286 543 HB2 GLU 70 1HB GLU 70 -8.919 -3.956 -3.993 544 HB3 GLU 70 2HB GLU 70 -10.582 -4.418 -3.653 545 HG2 GLU 70 1HG GLU 70 -10.479 -2.612 -1.822 546 HG3 GLU 70 2HG GLU 70 -9.055 -2.035 -2.689 547 H GLU 71 H GLU 71 -7.460 -5.900 -3.648 548 HA GLU 71 HA GLU 71 -8.663 -8.143 -4.668 549 HB2 GLU 71 1HB GLU 71 -6.602 -8.745 -5.472 550 HB3 GLU 71 2HB GLU 71 -6.284 -7.064 -5.063 551 HG2 GLU 71 1HG GLU 71 -4.473 -8.016 -4.097 552 HG3 GLU 71 2HG GLU 71 -5.600 -8.137 -2.746 553 H VAL 72 H VAL 72 -7.341 -7.672 -1.492 554 HA VAL 72 HA VAL 72 -7.681 -10.522 -0.867 555 HB VAL 72 HB VAL 72 -6.532 -8.536 1.060 556 HG11 VAL 72 1HG1 VAL 72 -6.827 -10.628 2.046 557 HG12 VAL 72 2HG1 VAL 72 -6.326 -11.490 0.589 558 HG13 VAL 72 3HG1 VAL 72 -5.131 -10.631 1.563 559 HG21 VAL 72 3HG2 VAL 72 -5.144 -7.995 -0.701 560 HG22 VAL 72 1HG2 VAL 72 -4.273 -9.341 0.033 561 HG23 VAL 72 2HG2 VAL 72 -5.244 -9.604 -1.415 562 HA PRO 73 HA PRO 73 -11.517 -9.563 1.134 563 HB2 PRO 73 1HB PRO 73 -11.849 -11.956 2.372 564 HB3 PRO 73 2HB PRO 73 -12.124 -11.723 0.642 565 HG2 PRO 73 1HG PRO 73 -9.733 -12.854 2.043 566 HG3 PRO 73 2HG PRO 73 -10.544 -13.428 0.575 567 HD2 PRO 73 1HD PRO 73 -8.261 -11.973 0.505 568 HD3 PRO 73 2HD PRO 73 -9.500 -11.868 -0.763 569 H ALA 74 H ALA 74 -8.599 -10.515 2.749 570 HA ALA 74 HA ALA 74 -9.690 -9.918 5.388 571 HB1 ALA 74 3HB ALA 74 -6.838 -10.648 4.814 572 HB2 ALA 74 1HB ALA 74 -7.765 -10.881 6.296 573 HB3 ALA 74 2HB ALA 74 -8.110 -11.867 4.875 574 H LEU 75 H LEU 75 -8.533 -8.150 2.894 575 HA LEU 75 HA LEU 75 -7.395 -6.112 4.693 576 HB2 LEU 75 1HB LEU 75 -6.663 -6.699 1.829 577 HB3 LEU 75 2HB LEU 75 -6.076 -5.318 2.752 578 HG LEU 75 HG LEU 75 -5.524 -8.211 3.410 579 HD11 LEU 75 1HD1 LEU 75 -4.284 -6.383 1.550 580 HD12 LEU 75 2HD1 LEU 75 -3.981 -8.099 1.816 581 HD13 LEU 75 3HD1 LEU 75 -3.152 -6.896 2.802 582 HD21 LEU 75 3HD2 LEU 75 -4.851 -5.615 4.717 583 HD22 LEU 75 1HD2 LEU 75 -3.701 -6.951 4.801 584 HD23 LEU 75 2HD2 LEU 75 -5.333 -7.151 5.440 585 H ARG 76 H ARG 76 -9.654 -6.888 2.207 586 HA ARG 76 HA ARG 76 -10.284 -4.554 0.982 587 HB2 ARG 76 1HB ARG 76 -11.937 -6.836 1.954 588 HB3 ARG 76 2HB ARG 76 -12.776 -5.397 1.389 589 HG2 ARG 76 1HG ARG 76 -11.736 -5.572 -0.771 590 HG3 ARG 76 2HG ARG 76 -10.736 -6.917 -0.218 591 HD2 ARG 76 1HD ARG 76 -12.516 -7.875 -1.447 592 HD3 ARG 76 2HD ARG 76 -12.879 -8.159 0.254 593 HE ARG 76 HE ARG 76 -14.094 -5.763 -0.652 594 HH11 ARG 76 1HH1 ARG 76 -14.385 -9.229 -0.795 595 HH12 ARG 76 2HH1 ARG 76 -16.099 -9.206 -1.040 596 HH21 ARG 76 1HH2 ARG 76 -16.351 -5.719 -0.974 597 HH22 ARG 76 2HH2 ARG 76 -17.217 -7.209 -1.143 598 H LYS 77 H LYS 77 -11.411 -5.533 4.211 599 HA LYS 77 HA LYS 77 -12.993 -3.346 4.813 600 HB2 LYS 77 1HB LYS 77 -12.399 -5.547 6.155 601 HB3 LYS 77 2HB LYS 77 -11.242 -4.487 6.948 602 HG2 LYS 77 1HG LYS 77 -14.153 -3.793 6.725 603 HG3 LYS 77 2HG LYS 77 -13.508 -4.761 8.052 604 HD2 LYS 77 1HD LYS 77 -11.785 -2.758 8.197 605 HD3 LYS 77 2HD LYS 77 -13.105 -1.880 7.420 606 HE2 LYS 77 1HE LYS 77 -13.516 -3.546 9.887 607 HE3 LYS 77 2HE LYS 77 -13.025 -1.855 9.968 608 HZ1 LYS 77 3HZ LYS 77 -15.404 -2.039 10.164 609 HZ2 LYS 77 1HZ LYS 77 -15.504 -2.902 8.712 610 HZ3 LYS 77 2HZ LYS 77 -15.024 -1.281 8.700 611 H ARG 78 H ARG 78 -9.492 -3.691 5.028 612 HA ARG 78 HA ARG 78 -9.045 -1.206 6.344 613 HB2 ARG 78 1HB ARG 78 -7.492 -3.295 6.104 614 HB3 ARG 78 2HB ARG 78 -6.988 -2.522 4.607 615 HG2 ARG 78 1HG ARG 78 -5.430 -1.855 6.231 616 HG3 ARG 78 2HG ARG 78 -6.492 -0.465 5.992 617 HD2 ARG 78 1HD ARG 78 -6.093 -0.778 8.351 618 HD3 ARG 78 2HD ARG 78 -7.778 -1.146 7.984 619 HE ARG 78 HE ARG 78 -6.358 -3.535 7.859 620 HH11 ARG 78 1HH1 ARG 78 -7.209 -1.126 10.225 621 HH12 ARG 78 2HH1 ARG 78 -7.209 -2.241 11.551 622 HH21 ARG 78 1HH2 ARG 78 -6.354 -5.011 9.597 623 HH22 ARG 78 2HH2 ARG 78 -6.722 -4.450 11.194 624 H ALA 79 H ALA 79 -8.988 -2.252 2.965 625 HA ALA 79 HA ALA 79 -7.985 0.057 1.788 626 HB1 ALA 79 3HB ALA 79 -8.314 -1.108 -0.073 627 HB2 ALA 79 1HB ALA 79 -9.095 -2.352 0.904 628 HB3 ALA 79 2HB ALA 79 -10.063 -1.081 0.156 629 H GLU 80 H GLU 80 -11.406 -0.820 2.303 630 HA GLU 80 HA GLU 80 -12.554 1.507 1.323 631 HB2 GLU 80 1HB GLU 80 -14.469 0.958 2.868 632 HB3 GLU 80 2HB GLU 80 -13.964 -0.348 1.804 633 HG2 GLU 80 1HG GLU 80 -12.822 -1.452 3.587 634 HG3 GLU 80 2HG GLU 80 -13.079 -0.081 4.664 635 H ILE 81 H ILE 81 -11.091 0.862 4.439 636 HA ILE 81 HA ILE 81 -12.034 3.214 5.733 637 HB ILE 81 HB ILE 81 -9.719 1.383 6.346 638 HG12 ILE 81 1HG1 ILE 81 -12.328 1.786 7.816 639 HG13 ILE 81 2HG1 ILE 81 -12.087 0.545 6.591 640 HG21 ILE 81 1HG2 ILE 81 -9.576 2.517 8.522 641 HG22 ILE 81 2HG2 ILE 81 -9.184 3.596 7.184 642 HG23 ILE 81 3HG2 ILE 81 -10.759 3.701 7.969 643 HD11 ILE 81 3HD1 ILE 81 -11.281 0.602 9.381 644 HD12 ILE 81 1HD1 ILE 81 -11.489 -0.764 8.284 645 HD13 ILE 81 2HD1 ILE 81 -9.974 0.140 8.290 646 H LEU 82 H LEU 82 -9.190 2.434 3.822 647 HA LEU 82 HA LEU 82 -7.768 4.830 4.394 648 HB2 LEU 82 1HB LEU 82 -7.538 2.948 2.050 649 HB3 LEU 82 2HB LEU 82 -6.380 4.211 2.463 650 HG LEU 82 HG LEU 82 -6.989 2.069 4.455 651 HD11 LEU 82 1HD1 LEU 82 -5.792 0.452 3.433 652 HD12 LEU 82 2HD1 LEU 82 -4.728 1.598 2.619 653 HD13 LEU 82 3HD1 LEU 82 -6.339 1.281 1.975 654 HD21 LEU 82 3HD2 LEU 82 -5.467 4.246 4.636 655 HD22 LEU 82 1HD2 LEU 82 -4.285 3.154 3.914 656 HD23 LEU 82 2HD2 LEU 82 -5.055 2.734 5.444 657 H LYS 83 H LYS 83 -10.004 3.845 1.849 658 HA LYS 83 HA LYS 83 -9.710 6.006 0.119 659 HB2 LYS 83 1HB LYS 83 -12.070 4.248 0.759 660 HB3 LYS 83 2HB LYS 83 -12.158 5.511 -0.460 661 HG2 LYS 83 1HG LYS 83 -10.802 4.399 -1.916 662 HG3 LYS 83 2HG LYS 83 -9.928 3.559 -0.633 663 HD2 LYS 83 1HD LYS 83 -11.511 1.905 -0.451 664 HD3 LYS 83 2HD LYS 83 -12.814 2.940 -1.039 665 HE2 LYS 83 1HE LYS 83 -10.568 2.129 -2.846 666 HE3 LYS 83 2HE LYS 83 -11.924 1.041 -2.557 667 HZ1 LYS 83 3HZ LYS 83 -13.153 3.374 -3.113 668 HZ2 LYS 83 1HZ LYS 83 -12.871 2.141 -4.236 669 HZ3 LYS 83 2HZ LYS 83 -11.805 3.449 -4.132 670 H LYS 84 H LYS 84 -11.907 5.628 2.886 671 HA LYS 84 HA LYS 84 -13.386 7.904 2.767 672 HB2 LYS 84 1HB LYS 84 -13.523 6.165 4.549 673 HB3 LYS 84 2HB LYS 84 -12.088 6.862 5.291 674 HG2 LYS 84 1HG LYS 84 -14.427 8.625 4.769 675 HG3 LYS 84 2HG LYS 84 -14.492 7.493 6.122 676 HD2 LYS 84 1HD LYS 84 -12.299 8.435 6.894 677 HD3 LYS 84 2HD LYS 84 -12.463 9.672 5.646 678 HE2 LYS 84 1HE LYS 84 -13.242 10.542 7.761 679 HE3 LYS 84 2HE LYS 84 -14.604 10.363 6.655 680 HZ1 LYS 84 3HZ LYS 84 -15.572 8.879 7.986 681 HZ2 LYS 84 1HZ LYS 84 -14.509 9.415 9.186 682 HZ3 LYS 84 2HZ LYS 84 -14.134 8.038 8.279 683 H GLU 85 H GLU 85 -10.143 7.658 4.220 684 HA GLU 85 HA GLU 85 -9.906 10.388 4.867 685 HB2 GLU 85 1HB GLU 85 -7.911 8.176 4.468 686 HB3 GLU 85 2HB GLU 85 -7.382 9.821 4.793 687 HG2 GLU 85 1HG GLU 85 -8.885 9.734 6.841 688 HG3 GLU 85 2HG GLU 85 -8.979 7.996 6.557 689 H ARG 86 H ARG 86 -8.878 8.535 2.026 690 HA ARG 86 HA ARG 86 -7.396 10.344 0.639 691 HB2 ARG 86 1HB ARG 86 -7.989 8.039 -0.119 692 HB3 ARG 86 2HB ARG 86 -9.569 8.647 -0.597 693 HG2 ARG 86 1HG ARG 86 -8.644 9.995 -2.299 694 HG3 ARG 86 2HG ARG 86 -7.005 9.769 -1.685 695 HD2 ARG 86 1HD ARG 86 -7.147 8.355 -3.549 696 HD3 ARG 86 2HD ARG 86 -7.349 7.290 -2.160 697 HE ARG 86 HE ARG 86 -9.447 6.797 -2.908 698 HH11 ARG 86 1HH1 ARG 86 -8.394 9.760 -4.403 699 HH12 ARG 86 2HH1 ARG 86 -9.771 9.875 -5.448 700 HH21 ARG 86 1HH2 ARG 86 -11.265 6.937 -4.279 701 HH22 ARG 86 2HH2 ARG 86 -11.404 8.269 -5.376 702 H SER 87 H SER 87 -10.916 10.288 0.929 703 HA SER 87 HA SER 87 -11.070 12.796 -0.587 704 HB2 SER 87 1HB SER 87 -13.487 12.357 -0.719 705 HB3 SER 87 2HB SER 87 -12.560 10.990 -1.337 706 HG SER 87 HG SER 87 -13.333 11.041 1.363 707 H GLU 88 H GLU 88 -11.884 14.660 0.287 708 HA GLU 88 HA GLU 88 -12.267 14.638 3.205 709 HB2 GLU 88 1HB GLU 88 -11.549 17.031 1.515 710 HB3 GLU 88 2HB GLU 88 -11.464 16.885 3.265 711 HG2 GLU 88 1HG GLU 88 -9.829 15.065 1.564 712 HG3 GLU 88 2HG GLU 88 -9.307 16.730 1.814 713 H SER 89 H SER 89 -13.334 16.439 0.318 714 HA SER 89 HA SER 89 -15.672 17.440 1.631 715 HB2 SER 89 1HB SER 89 -14.750 17.480 -1.243 716 HB3 SER 89 2HB SER 89 -16.281 18.185 -0.727 717 HG SER 89 HG SER 89 -13.740 18.883 0.329 718 H GLY 90 H GLY 90 -15.109 15.036 -0.936 719 HA2 GLY 90 1HA GLY 90 -16.353 13.225 -1.600 720 HA3 GLY 90 2HA GLY 90 -17.120 13.286 -0.019 721 HA PRO 91 HA PRO 91 -19.856 14.925 -3.637 722 HB2 PRO 91 1HB PRO 91 -20.997 12.631 -4.536 723 HB3 PRO 91 2HB PRO 91 -19.524 13.312 -5.239 724 HG2 PRO 91 1HG PRO 91 -19.826 11.092 -3.253 725 HG3 PRO 91 2HG PRO 91 -18.758 11.192 -4.665 726 HD2 PRO 91 1HD PRO 91 -17.885 11.656 -2.144 727 HD3 PRO 91 2HD PRO 91 -17.206 12.488 -3.558 728 H SER 92 H SER 92 -20.032 13.100 -0.827 729 HA SER 92 HA SER 92 -22.506 12.238 -0.345 730 HB2 SER 92 1HB SER 92 -21.192 14.203 1.539 731 HB3 SER 92 2HB SER 92 -22.289 12.886 1.955 732 HG SER 92 HG SER 92 -20.485 11.600 0.804 733 H SER 93 H SER 93 -21.815 15.640 0.447 734 HA SER 93 HA SER 93 -24.206 16.518 -0.935 735 HB2 SER 93 1HB SER 93 -23.967 16.499 2.061 736 HB3 SER 93 2HB SER 93 -24.946 17.718 1.247 737 HG SER 93 HG SER 93 -25.856 15.715 0.136 738 H GLY 94 H GLY 94 -24.168 18.677 -1.469 739 HA2 GLY 94 1HA GLY 94 -21.733 20.136 -0.647 740 HA3 GLY 94 2HA GLY 94 -22.449 20.262 -2.247 Start of MODEL 15 1 H1 GLY 1 H GLY 1 6.508 12.610 23.302 2 HA2 GLY 1 1HA GLY 1 6.192 10.080 22.302 3 HA3 GLY 1 2HA GLY 1 7.561 9.942 23.394 4 H SER 2 H SER 2 4.337 9.502 23.195 5 HA SER 2 HA SER 2 4.047 9.626 26.100 6 HB2 SER 2 1HB SER 2 1.841 10.684 25.942 7 HB3 SER 2 2HB SER 2 3.080 11.730 25.252 8 HG SER 2 HG SER 2 2.436 10.716 23.178 9 H SER 3 H SER 3 1.768 8.639 26.663 10 HA SER 3 HA SER 3 1.790 5.966 26.118 11 HB2 SER 3 1HB SER 3 -0.577 5.915 26.845 12 HB3 SER 3 2HB SER 3 0.415 6.931 27.891 13 HG SER 3 HG SER 3 -0.950 8.454 27.454 14 H GLY 4 H GLY 4 0.139 4.646 24.931 15 HA2 GLY 4 1HA GLY 4 -0.624 3.932 22.882 16 HA3 GLY 4 2HA GLY 4 -1.427 5.495 22.836 17 H SER 5 H SER 5 -1.143 5.469 20.541 18 HA SER 5 HA SER 5 1.445 6.561 19.760 19 HB2 SER 5 1HB SER 5 0.266 4.021 18.704 20 HB3 SER 5 2HB SER 5 1.174 5.061 17.605 21 HG SER 5 HG SER 5 2.297 4.459 20.093 22 H SER 6 H SER 6 1.303 8.127 18.238 23 HA SER 6 HA SER 6 -1.302 8.519 16.922 24 HB2 SER 6 1HB SER 6 -0.974 10.979 17.212 25 HB3 SER 6 2HB SER 6 -1.181 10.118 18.736 26 HG SER 6 HG SER 6 1.002 11.482 17.757 27 H GLY 7 H GLY 7 0.789 7.189 15.704 28 HA2 GLY 7 1HA GLY 7 1.909 9.197 13.855 29 HA3 GLY 7 2HA GLY 7 2.625 7.625 14.174 30 H ILE 8 H ILE 8 -0.573 8.845 13.160 31 HA ILE 8 HA ILE 8 -0.673 6.679 11.181 32 HB ILE 8 HB ILE 8 -2.894 8.422 12.255 33 HG12 ILE 8 1HG1 ILE 8 -3.599 5.943 12.958 34 HG13 ILE 8 2HG1 ILE 8 -1.854 5.713 12.929 35 HG21 ILE 8 1HG2 ILE 8 -3.752 7.930 10.212 36 HG22 ILE 8 2HG2 ILE 8 -2.761 6.484 10.020 37 HG23 ILE 8 3HG2 ILE 8 -4.195 6.440 11.045 38 HD11 ILE 8 3HD1 ILE 8 -2.875 8.076 14.381 39 HD12 ILE 8 1HD1 ILE 8 -3.166 6.491 15.098 40 HD13 ILE 8 2HD1 ILE 8 -1.517 7.012 14.749 41 H VAL 9 H VAL 9 -0.793 7.069 9.035 42 HA VAL 9 HA VAL 9 -1.539 9.600 7.939 43 HB VAL 9 HB VAL 9 0.755 10.134 8.692 44 HG11 VAL 9 1HG1 VAL 9 2.670 9.078 7.606 45 HG12 VAL 9 2HG1 VAL 9 1.718 7.895 8.504 46 HG13 VAL 9 3HG1 VAL 9 1.588 7.983 6.746 47 HG21 VAL 9 3HG2 VAL 9 0.548 9.983 5.688 48 HG22 VAL 9 1HG2 VAL 9 -0.263 11.189 6.687 49 HG23 VAL 9 2HG2 VAL 9 1.499 11.129 6.632 50 H LEU 10 H LEU 10 -1.375 9.623 5.561 51 HA LEU 10 HA LEU 10 -2.460 7.421 4.358 52 HB2 LEU 10 1HB LEU 10 -0.664 9.477 3.078 53 HB3 LEU 10 2HB LEU 10 -1.740 8.384 2.211 54 HG LEU 10 HG LEU 10 -3.576 9.539 3.708 55 HD11 LEU 10 1HD1 LEU 10 -2.414 12.084 3.448 56 HD12 LEU 10 2HD1 LEU 10 -1.234 11.077 4.285 57 HD13 LEU 10 3HD1 LEU 10 -2.866 11.244 4.932 58 HD21 LEU 10 3HD2 LEU 10 -2.377 10.999 1.361 59 HD22 LEU 10 1HD2 LEU 10 -4.059 11.008 1.893 60 HD23 LEU 10 2HD2 LEU 10 -3.358 9.538 1.216 61 H LEU 11 H LEU 11 0.938 8.138 4.861 62 HA LEU 11 HA LEU 11 2.029 6.176 3.171 63 HB2 LEU 11 1HB LEU 11 3.112 8.147 4.533 64 HB3 LEU 11 2HB LEU 11 3.358 6.888 5.741 65 HG LEU 11 HG LEU 11 5.342 7.264 4.335 66 HD11 LEU 11 1HD1 LEU 11 4.159 4.835 5.035 67 HD12 LEU 11 2HD1 LEU 11 5.855 5.129 4.652 68 HD13 LEU 11 3HD1 LEU 11 4.741 4.615 3.384 69 HD21 LEU 11 3HD2 LEU 11 3.738 7.705 2.283 70 HD22 LEU 11 1HD2 LEU 11 3.997 5.981 2.016 71 HD23 LEU 11 2HD2 LEU 11 5.374 7.083 2.061 72 H ARG 12 H ARG 12 1.182 6.079 6.619 73 HA ARG 12 HA ARG 12 2.094 3.667 7.420 74 HB2 ARG 12 1HB ARG 12 0.518 5.376 8.606 75 HB3 ARG 12 2HB ARG 12 -0.768 4.342 8.000 76 HG2 ARG 12 1HG ARG 12 0.237 2.430 9.164 77 HG3 ARG 12 2HG ARG 12 1.493 3.496 9.798 78 HD2 ARG 12 1HD ARG 12 0.058 4.555 11.240 79 HD3 ARG 12 2HD ARG 12 -1.357 4.233 10.237 80 HE ARG 12 HE ARG 12 -1.697 2.343 11.457 81 HH11 ARG 12 1HH1 ARG 12 1.661 3.226 11.716 82 HH12 ARG 12 2HH1 ARG 12 2.042 1.965 12.840 83 HH21 ARG 12 1HH2 ARG 12 -1.209 0.678 12.938 84 HH22 ARG 12 2HH2 ARG 12 0.408 0.515 13.535 85 H GLY 13 H GLY 13 -0.327 4.231 5.012 86 HA2 GLY 13 1HA GLY 13 -1.837 1.979 4.904 87 HA3 GLY 13 2HA GLY 13 -1.205 2.760 3.462 88 H LEU 14 H LEU 14 1.589 2.134 4.462 89 HA LEU 14 HA LEU 14 1.750 -0.468 3.197 90 HB2 LEU 14 1HB LEU 14 3.846 1.451 4.191 91 HB3 LEU 14 2HB LEU 14 4.218 -0.107 3.455 92 HG LEU 14 HG LEU 14 2.862 2.233 2.116 93 HD11 LEU 14 1HD1 LEU 14 5.583 1.629 2.533 94 HD12 LEU 14 2HD1 LEU 14 4.889 2.891 1.516 95 HD13 LEU 14 3HD1 LEU 14 5.235 1.300 0.836 96 HD21 LEU 14 3HD2 LEU 14 1.938 0.157 1.284 97 HD22 LEU 14 1HD2 LEU 14 3.557 -0.504 1.055 98 HD23 LEU 14 2HD2 LEU 14 3.014 0.858 0.076 99 H GLU 15 H GLU 15 2.586 0.980 6.328 100 HA GLU 15 HA GLU 15 3.581 -1.403 7.486 101 HB2 GLU 15 1HB GLU 15 2.746 1.271 8.498 102 HB3 GLU 15 2HB GLU 15 2.884 -0.039 9.661 103 HG2 GLU 15 1HG GLU 15 5.099 0.664 7.765 104 HG3 GLU 15 2HG GLU 15 4.916 1.433 9.341 105 H CYS 16 H CYS 16 0.387 0.054 7.327 106 HA CYS 16 HA CYS 16 -1.025 -1.287 9.227 107 HB2 CYS 16 1HB CYS 16 -1.697 -0.315 6.494 108 HB3 CYS 16 2HB CYS 16 -2.857 -1.376 7.284 109 HG CYS 16 HG CYS 16 -4.024 0.757 8.179 110 H ILE 17 H ILE 17 -0.604 -2.483 5.889 111 HA ILE 17 HA ILE 17 -1.695 -5.029 6.383 112 HB ILE 17 HB ILE 17 -0.485 -5.705 4.281 113 HG12 ILE 17 1HG1 ILE 17 0.332 -2.792 4.231 114 HG13 ILE 17 2HG1 ILE 17 1.424 -4.122 4.602 115 HG21 ILE 17 1HG2 ILE 17 -1.920 -4.452 2.846 116 HG22 ILE 17 2HG2 ILE 17 -2.775 -4.702 4.367 117 HG23 ILE 17 3HG2 ILE 17 -2.039 -3.139 4.017 118 HD11 ILE 17 3HD1 ILE 17 1.406 -3.173 2.224 119 HD12 ILE 17 1HD1 ILE 17 1.381 -4.924 2.427 120 HD13 ILE 17 2HD1 ILE 17 -0.106 -4.060 2.035 121 H ASN 18 H ASN 18 -0.689 -7.059 6.617 122 HA ASN 18 HA ASN 18 1.560 -7.060 8.365 123 HB2 ASN 18 1HB ASN 18 0.169 -9.366 6.984 124 HB3 ASN 18 2HB ASN 18 1.331 -9.518 8.299 125 HD21 ASN 18 1HD2 ASN 18 -1.882 -8.543 7.407 126 HD22 ASN 18 2HD2 ASN 18 -2.520 -8.464 9.011 127 H LYS 19 H LYS 19 3.664 -7.503 7.983 128 HA LYS 19 HA LYS 19 4.996 -6.940 5.746 129 HB2 LYS 19 1HB LYS 19 5.577 -9.058 7.798 130 HB3 LYS 19 2HB LYS 19 6.677 -8.788 6.452 131 HG2 LYS 19 1HG LYS 19 5.817 -6.603 8.326 132 HG3 LYS 19 2HG LYS 19 7.245 -7.604 8.593 133 HD2 LYS 19 1HD LYS 19 8.372 -6.708 6.790 134 HD3 LYS 19 2HD LYS 19 6.886 -6.233 5.964 135 HE2 LYS 19 1HE LYS 19 7.746 -4.204 6.686 136 HE3 LYS 19 2HE LYS 19 6.584 -4.605 7.949 137 HZ1 LYS 19 3HZ LYS 19 8.272 -4.271 9.342 138 HZ2 LYS 19 1HZ LYS 19 9.434 -4.321 8.113 139 HZ3 LYS 19 2HZ LYS 19 8.882 -5.759 8.814 140 H HIS 20 H HIS 20 3.516 -10.087 6.403 141 HA HIS 20 HA HIS 20 4.427 -11.580 4.294 142 HB2 HIS 20 1HB HIS 20 3.014 -12.613 5.914 143 HB3 HIS 20 2HB HIS 20 1.690 -11.505 5.564 144 HD1 HIS 20 HD1 HIS 20 3.735 -13.872 3.380 145 HD2 HIS 20 HD2 HIS 20 -0.207 -12.872 4.230 146 HE1 HIS 20 HE1 HIS 20 2.334 -15.331 1.886 147 HE2 HIS 20 HE2 HIS 20 -0.045 -14.649 2.357 148 H TYR 21 H TYR 21 1.631 -9.381 4.269 149 HA TYR 21 HA TYR 21 1.082 -9.767 1.502 150 HB2 TYR 21 1HB TYR 21 0.170 -7.768 3.556 151 HB3 TYR 21 2HB TYR 21 -0.280 -7.597 1.864 152 HD1 TYR 21 HD1 TYR 21 -1.000 -10.129 0.898 153 HD2 TYR 21 HD2 TYR 21 -1.550 -8.604 4.833 154 HE1 TYR 21 HE1 TYR 21 -2.872 -11.689 1.235 155 HE2 TYR 21 HE2 TYR 21 -3.423 -10.161 5.180 156 HH TYR 21 HH TYR 21 -3.964 -12.763 3.626 157 H PHE 22 H PHE 22 2.735 -7.227 3.345 158 HA PHE 22 HA PHE 22 3.222 -5.323 1.487 159 HB2 PHE 22 1HB PHE 22 4.066 -5.167 3.770 160 HB3 PHE 22 2HB PHE 22 5.231 -6.448 3.450 161 HD1 PHE 22 HD1 PHE 22 4.251 -3.359 1.599 162 HD2 PHE 22 HD2 PHE 22 7.362 -5.601 3.447 163 HE1 PHE 22 HE1 PHE 22 5.891 -1.677 0.871 164 HE2 PHE 22 HE2 PHE 22 9.007 -3.921 2.723 165 HZ PHE 22 HZ PHE 22 8.272 -1.955 1.435 166 H SER 23 H SER 23 4.959 -8.394 1.789 167 HA SER 23 HA SER 23 6.934 -8.002 -0.111 168 HB2 SER 23 1HB SER 23 6.566 -10.002 1.468 169 HB3 SER 23 2HB SER 23 5.517 -10.643 0.204 170 HG SER 23 HG SER 23 8.134 -9.784 -0.392 171 H LEU 24 H LEU 24 3.578 -8.995 -0.546 172 HA LEU 24 HA LEU 24 3.762 -9.587 -3.306 173 HB2 LEU 24 1HB LEU 24 1.485 -8.903 -1.477 174 HB3 LEU 24 2HB LEU 24 1.233 -9.142 -3.206 175 HG LEU 24 HG LEU 24 2.494 -11.428 -2.668 176 HD11 LEU 24 1HD1 LEU 24 0.889 -11.310 -0.194 177 HD12 LEU 24 2HD1 LEU 24 2.437 -10.466 -0.168 178 HD13 LEU 24 3HD1 LEU 24 2.378 -12.187 -0.546 179 HD21 LEU 24 3HD2 LEU 24 0.035 -10.766 -3.450 180 HD22 LEU 24 1HD2 LEU 24 -0.353 -11.400 -1.851 181 HD23 LEU 24 2HD2 LEU 24 0.483 -12.419 -3.024 182 H PHE 25 H PHE 25 2.828 -6.660 -1.538 183 HA PHE 25 HA PHE 25 2.036 -5.082 -3.680 184 HB2 PHE 25 1HB PHE 25 1.855 -4.523 -1.222 185 HB3 PHE 25 2HB PHE 25 3.556 -4.070 -1.275 186 HD1 PHE 25 HD1 PHE 25 0.613 -3.439 -3.485 187 HD2 PHE 25 HD2 PHE 25 3.833 -1.800 -1.236 188 HE1 PHE 25 HE1 PHE 25 -0.018 -1.183 -4.235 189 HE2 PHE 25 HE2 PHE 25 3.207 0.460 -1.980 190 HZ PHE 25 HZ PHE 25 1.280 0.771 -3.482 191 H LYS 26 H LYS 26 5.275 -5.617 -2.358 192 HA LYS 26 HA LYS 26 6.648 -3.766 -3.955 193 HB2 LYS 26 1HB LYS 26 7.400 -6.194 -2.402 194 HB3 LYS 26 2HB LYS 26 8.565 -5.574 -3.566 195 HG2 LYS 26 1HG LYS 26 8.508 -3.393 -2.459 196 HG3 LYS 26 2HG LYS 26 7.351 -4.025 -1.285 197 HD2 LYS 26 1HD LYS 26 10.097 -5.187 -1.730 198 HD3 LYS 26 2HD LYS 26 9.730 -3.978 -0.497 199 HE2 LYS 26 1HE LYS 26 8.097 -5.508 0.502 200 HE3 LYS 26 2HE LYS 26 8.475 -6.713 -0.727 201 HZ1 LYS 26 3HZ LYS 26 9.746 -7.338 1.095 202 HZ2 LYS 26 1HZ LYS 26 10.172 -5.748 1.488 203 HZ3 LYS 26 2HZ LYS 26 10.854 -6.497 0.134 204 H SER 27 H SER 27 5.347 -6.887 -4.671 205 HA SER 27 HA SER 27 6.956 -7.398 -6.982 206 HB2 SER 27 1HB SER 27 5.540 -9.048 -5.496 207 HB3 SER 27 2HB SER 27 4.245 -8.622 -6.616 208 HG SER 27 HG SER 27 6.758 -9.783 -7.231 209 H LEU 28 H LEU 28 3.620 -6.268 -6.489 210 HA LEU 28 HA LEU 28 2.960 -5.947 -9.193 211 HB2 LEU 28 1HB LEU 28 1.930 -4.278 -6.908 212 HB3 LEU 28 2HB LEU 28 1.128 -4.599 -8.444 213 HG LEU 28 HG LEU 28 1.741 -6.801 -6.494 214 HD11 LEU 28 1HD1 LEU 28 0.290 -5.921 -5.060 215 HD12 LEU 28 2HD1 LEU 28 -0.960 -6.214 -6.268 216 HD13 LEU 28 3HD1 LEU 28 -0.161 -4.644 -6.189 217 HD21 LEU 28 3HD2 LEU 28 0.168 -6.470 -8.984 218 HD22 LEU 28 1HD2 LEU 28 -0.500 -7.523 -7.736 219 HD23 LEU 28 2HD2 LEU 28 1.099 -7.851 -8.403 220 H LEU 29 H LEU 29 4.884 -4.018 -7.065 221 HA LEU 29 HA LEU 29 4.872 -1.764 -8.933 222 HB2 LEU 29 1HB LEU 29 5.744 -2.131 -6.101 223 HB3 LEU 29 2HB LEU 29 6.417 -0.814 -7.058 224 HG LEU 29 HG LEU 29 4.598 0.012 -5.717 225 HD11 LEU 29 1HD1 LEU 29 4.786 0.270 -8.487 226 HD12 LEU 29 2HD1 LEU 29 3.963 1.354 -7.366 227 HD13 LEU 29 3HD1 LEU 29 3.067 0.056 -8.155 228 HD21 LEU 29 3HD2 LEU 29 3.106 -2.299 -6.907 229 HD22 LEU 29 1HD2 LEU 29 2.256 -0.878 -6.300 230 HD23 LEU 29 2HD2 LEU 29 3.267 -1.830 -5.213 231 H ALA 30 H ALA 30 6.734 -4.483 -8.030 232 HA ALA 30 HA ALA 30 9.338 -3.902 -8.339 233 HB1 ALA 30 3HB ALA 30 9.701 -6.086 -9.224 234 HB2 ALA 30 1HB ALA 30 8.342 -6.184 -8.104 235 HB3 ALA 30 2HB ALA 30 8.052 -6.172 -9.843 236 H ARG 31 H ARG 31 6.956 -3.964 -10.938 237 HA ARG 31 HA ARG 31 8.843 -3.563 -13.039 238 HB2 ARG 31 1HB ARG 31 6.596 -2.748 -14.198 239 HB3 ARG 31 2HB ARG 31 6.925 -4.451 -13.908 240 HG2 ARG 31 1HG ARG 31 5.512 -2.927 -11.790 241 HG3 ARG 31 2HG ARG 31 4.622 -3.343 -13.257 242 HD2 ARG 31 1HD ARG 31 6.215 -5.447 -11.866 243 HD3 ARG 31 2HD ARG 31 4.653 -4.969 -11.201 244 HE ARG 31 HE ARG 31 4.197 -5.445 -13.867 245 HH11 ARG 31 1HH1 ARG 31 5.424 -7.265 -11.165 246 HH12 ARG 31 2HH1 ARG 31 4.854 -8.787 -11.763 247 HH21 ARG 31 1HH2 ARG 31 3.441 -7.443 -14.666 248 HH22 ARG 31 2HH2 ARG 31 3.727 -8.888 -13.755 249 H ASP 32 H ASP 32 6.567 -1.415 -11.349 250 HA ASP 32 HA ASP 32 7.325 0.930 -12.739 251 HB2 ASP 32 1HB ASP 32 6.016 0.580 -10.035 252 HB3 ASP 32 2HB ASP 32 6.175 2.122 -10.873 253 H LEU 33 H LEU 33 7.998 0.041 -9.347 254 HA LEU 33 HA LEU 33 10.002 2.017 -9.026 255 HB2 LEU 33 1HB LEU 33 9.567 -0.495 -7.419 256 HB3 LEU 33 2HB LEU 33 10.492 0.918 -6.918 257 HG LEU 33 HG LEU 33 7.514 0.872 -7.406 258 HD11 LEU 33 1HD1 LEU 33 9.054 0.947 -4.815 259 HD12 LEU 33 2HD1 LEU 33 8.169 -0.443 -5.443 260 HD13 LEU 33 3HD1 LEU 33 7.301 1.024 -4.993 261 HD21 LEU 33 3HD2 LEU 33 7.548 3.089 -7.272 262 HD22 LEU 33 1HD2 LEU 33 9.306 3.013 -7.399 263 HD23 LEU 33 2HD2 LEU 33 8.536 3.042 -5.812 264 H ASN 34 H ASN 34 10.023 -0.919 -10.653 265 HA ASN 34 HA ASN 34 11.651 -2.179 -11.619 266 HB2 ASN 34 1HB ASN 34 12.926 0.488 -11.281 267 HB3 ASN 34 2HB ASN 34 13.982 -0.863 -11.681 268 HD21 ASN 34 1HD2 ASN 34 13.134 1.528 -13.212 269 HD22 ASN 34 2HD2 ASN 34 12.497 0.912 -14.695 270 H LEU 35 H LEU 35 11.174 -2.892 -9.064 271 HA LEU 35 HA LEU 35 13.549 -2.945 -7.463 272 HB2 LEU 35 1HB LEU 35 11.058 -4.625 -7.238 273 HB3 LEU 35 2HB LEU 35 12.295 -4.423 -6.000 274 HG LEU 35 HG LEU 35 10.629 -2.136 -7.026 275 HD11 LEU 35 1HD1 LEU 35 9.854 -4.330 -5.306 276 HD12 LEU 35 2HD1 LEU 35 8.877 -3.034 -5.996 277 HD13 LEU 35 3HD1 LEU 35 9.742 -2.774 -4.481 278 HD21 LEU 35 3HD2 LEU 35 11.484 -0.917 -5.259 279 HD22 LEU 35 1HD2 LEU 35 12.878 -1.882 -5.748 280 HD23 LEU 35 2HD2 LEU 35 11.926 -2.357 -4.341 281 H GLU 36 H GLU 36 14.518 -5.023 -6.717 282 HA GLU 36 HA GLU 36 15.149 -6.658 -9.037 283 HB2 GLU 36 1HB GLU 36 16.358 -6.351 -6.301 284 HB3 GLU 36 2HB GLU 36 16.810 -7.690 -7.347 285 HG2 GLU 36 1HG GLU 36 17.817 -6.305 -8.906 286 HG3 GLU 36 2HG GLU 36 16.948 -4.877 -8.344 287 H ARG 37 H ARG 37 13.518 -8.087 -9.384 288 HA ARG 37 HA ARG 37 11.828 -9.337 -7.685 289 HB2 ARG 37 1HB ARG 37 11.687 -11.185 -9.279 290 HB3 ARG 37 2HB ARG 37 11.770 -9.641 -10.117 291 HG2 ARG 37 1HG ARG 37 13.872 -10.041 -10.942 292 HG3 ARG 37 2HG ARG 37 14.285 -11.162 -9.642 293 HD2 ARG 37 1HD ARG 37 13.976 -12.654 -11.337 294 HD3 ARG 37 2HD ARG 37 12.326 -12.570 -10.723 295 HE ARG 37 HE ARG 37 12.844 -10.653 -12.784 296 HH11 ARG 37 1HH1 ARG 37 11.999 -13.968 -12.147 297 HH12 ARG 37 2HH1 ARG 37 11.203 -14.196 -13.670 298 HH21 ARG 37 1HH2 ARG 37 11.801 -10.938 -14.792 299 HH22 ARG 37 2HH2 ARG 37 11.092 -12.471 -15.174 300 H ASP 38 H ASP 38 15.230 -9.876 -7.936 301 HA ASP 38 HA ASP 38 15.095 -12.313 -6.329 302 HB2 ASP 38 1HB ASP 38 16.641 -12.489 -8.126 303 HB3 ASP 38 2HB ASP 38 17.350 -10.917 -7.766 304 H ASN 39 H ASN 39 16.076 -8.956 -6.132 305 HA ASN 39 HA ASN 39 16.799 -9.365 -3.306 306 HB2 ASN 39 1HB ASN 39 18.442 -8.339 -5.116 307 HB3 ASN 39 2HB ASN 39 17.544 -6.866 -4.759 308 HD21 ASN 39 1HD2 ASN 39 18.593 -9.563 -2.715 309 HD22 ASN 39 2HD2 ASN 39 19.491 -8.593 -1.602 310 H GLN 40 H GLN 40 14.138 -9.255 -3.828 311 HA GLN 40 HA GLN 40 13.190 -6.535 -3.536 312 HB2 GLN 40 1HB GLN 40 11.946 -9.203 -3.943 313 HB3 GLN 40 2HB GLN 40 10.973 -7.981 -3.136 314 HG2 GLN 40 1HG GLN 40 11.258 -6.479 -5.023 315 HG3 GLN 40 2HG GLN 40 12.282 -7.667 -5.828 316 HE21 GLN 40 1HE2 GLN 40 10.767 -7.528 -7.578 317 HE22 GLN 40 2HE2 GLN 40 9.294 -8.430 -7.518 318 H GLU 41 H GLU 41 14.355 -8.922 -1.489 319 HA GLU 41 HA GLU 41 12.669 -8.433 0.773 320 HB2 GLU 41 1HB GLU 41 14.378 -9.722 2.023 321 HB3 GLU 41 2HB GLU 41 13.807 -10.557 0.585 322 HG2 GLU 41 1HG GLU 41 15.912 -9.363 -0.489 323 HG3 GLU 41 2HG GLU 41 16.469 -9.406 1.183 324 H GLN 42 H GLN 42 15.970 -7.459 -0.121 325 HA GLN 42 HA GLN 42 16.738 -6.045 2.077 326 HB2 GLN 42 1HB GLN 42 18.022 -4.571 0.517 327 HB3 GLN 42 2HB GLN 42 18.236 -6.292 0.224 328 HG2 GLN 42 1HG GLN 42 17.157 -6.234 -1.776 329 HG3 GLN 42 2HG GLN 42 16.124 -4.885 -1.306 330 HE21 GLN 42 1HE2 GLN 42 16.876 -4.399 -3.619 331 HE22 GLN 42 2HE2 GLN 42 18.270 -3.387 -3.754 332 H TYR 43 H TYR 43 14.437 -5.060 -0.384 333 HA TYR 43 HA TYR 43 14.210 -2.354 0.446 334 HB2 TYR 43 1HB TYR 43 12.406 -4.150 -1.174 335 HB3 TYR 43 2HB TYR 43 12.026 -2.462 -0.851 336 HD1 TYR 43 HD1 TYR 43 14.295 -0.920 -1.284 337 HD2 TYR 43 HD2 TYR 43 13.218 -4.513 -3.293 338 HE1 TYR 43 HE1 TYR 43 15.655 -0.240 -3.217 339 HE2 TYR 43 HE2 TYR 43 14.576 -3.843 -5.231 340 HH TYR 43 HH TYR 43 16.864 -1.478 -5.145 341 H THR 44 H THR 44 13.256 -1.550 2.185 342 HA THR 44 HA THR 44 11.491 -3.278 3.761 343 HB THR 44 HB THR 44 11.866 -1.756 5.614 344 HG1 THR 44 HG1 THR 44 12.623 0.205 5.308 345 HG21 THR 44 3HG2 THR 44 13.866 -2.648 6.109 346 HG22 THR 44 1HG2 THR 44 14.648 -1.903 4.715 347 HG23 THR 44 2HG2 THR 44 13.758 -3.415 4.524 348 H THR 45 H THR 45 9.957 -1.632 5.163 349 HA THR 45 HA THR 45 7.954 -0.838 3.312 350 HB THR 45 HB THR 45 6.829 0.134 5.376 351 HG1 THR 45 HG1 THR 45 9.131 0.143 6.404 352 HG21 THR 45 3HG2 THR 45 6.595 -2.196 6.443 353 HG22 THR 45 1HG2 THR 45 7.675 -2.741 5.161 354 HG23 THR 45 2HG2 THR 45 6.123 -2.011 4.754 355 H ILE 46 H ILE 46 10.691 0.744 4.550 356 HA ILE 46 HA ILE 46 9.603 3.422 4.251 357 HB ILE 46 HB ILE 46 12.358 2.436 4.987 358 HG12 ILE 46 1HG1 ILE 46 10.040 3.615 6.499 359 HG13 ILE 46 2HG1 ILE 46 10.937 2.138 6.834 360 HG21 ILE 46 1HG2 ILE 46 13.022 4.713 5.334 361 HG22 ILE 46 2HG2 ILE 46 12.431 4.550 3.681 362 HG23 ILE 46 3HG2 ILE 46 11.412 5.296 4.913 363 HD11 ILE 46 3HD1 ILE 46 11.812 3.447 8.452 364 HD12 ILE 46 1HD1 ILE 46 12.913 3.886 7.147 365 HD13 ILE 46 2HD1 ILE 46 11.553 4.936 7.545 366 H GLN 47 H GLN 47 12.595 1.947 2.994 367 HA GLN 47 HA GLN 47 13.241 3.596 0.992 368 HB2 GLN 47 1HB GLN 47 13.198 0.579 0.837 369 HB3 GLN 47 2HB GLN 47 14.043 1.614 -0.307 370 HG2 GLN 47 1HG GLN 47 15.366 2.521 1.596 371 HG3 GLN 47 2HG GLN 47 14.603 1.316 2.632 372 HE21 GLN 47 1HE2 GLN 47 16.160 -0.082 3.096 373 HE22 GLN 47 2HE2 GLN 47 17.160 -0.891 1.942 374 H ILE 48 H ILE 48 10.761 1.067 0.708 375 HA ILE 48 HA ILE 48 10.061 1.599 -1.965 376 HB ILE 48 HB ILE 48 8.362 0.428 0.242 377 HG12 ILE 48 1HG1 ILE 48 10.424 -0.837 -0.185 378 HG13 ILE 48 2HG1 ILE 48 9.008 -1.735 -0.721 379 HG21 ILE 48 1HG2 ILE 48 7.658 1.231 -2.385 380 HG22 ILE 48 2HG2 ILE 48 7.656 -0.532 -2.336 381 HG23 ILE 48 3HG2 ILE 48 6.672 0.382 -1.193 382 HD11 ILE 48 3HD1 ILE 48 9.527 -0.716 -3.031 383 HD12 ILE 48 1HD1 ILE 48 11.121 -0.395 -2.349 384 HD13 ILE 48 2HD1 ILE 48 10.517 -2.050 -2.438 385 H ALA 49 H ALA 49 8.833 2.872 1.095 386 HA ALA 49 HA ALA 49 6.634 4.288 0.136 387 HB1 ALA 49 3HB ALA 49 8.444 4.730 2.489 388 HB2 ALA 49 1HB ALA 49 7.076 5.791 2.153 389 HB3 ALA 49 2HB ALA 49 6.806 4.076 2.462 390 H ASN 50 H ASN 50 10.019 5.307 0.462 391 HA ASN 50 HA ASN 50 9.663 7.963 -0.378 392 HB2 ASN 50 1HB ASN 50 12.015 6.099 -0.306 393 HB3 ASN 50 2HB ASN 50 12.166 7.686 -1.056 394 HD21 ASN 50 1HD2 ASN 50 12.293 5.952 1.807 395 HD22 ASN 50 2HD2 ASN 50 12.338 7.279 2.911 396 H MET 51 H MET 51 10.952 5.206 -2.247 397 HA MET 51 HA MET 51 11.171 6.354 -4.711 398 HB2 MET 51 1HB MET 51 10.351 3.574 -3.907 399 HB3 MET 51 2HB MET 51 10.502 4.024 -5.600 400 HG2 MET 51 1HG MET 51 12.862 4.863 -4.862 401 HG3 MET 51 2HG MET 51 12.608 3.756 -3.515 402 HE1 MET 51 3HE MET 51 12.093 1.085 -3.901 403 HE2 MET 51 1HE MET 51 13.432 0.414 -4.831 404 HE3 MET 51 2HE MET 51 13.741 1.634 -3.597 405 H MET 52 H MET 52 8.228 5.178 -3.164 406 HA MET 52 HA MET 52 6.558 5.556 -5.443 407 HB2 MET 52 1HB MET 52 6.026 5.129 -2.513 408 HB3 MET 52 2HB MET 52 4.716 5.458 -3.639 409 HG2 MET 52 1HG MET 52 5.712 3.488 -4.989 410 HG3 MET 52 2HG MET 52 6.512 3.080 -3.472 411 HE1 MET 52 3HE MET 52 2.936 3.819 -5.092 412 HE2 MET 52 1HE MET 52 3.716 2.335 -5.638 413 HE3 MET 52 2HE MET 52 2.247 2.252 -4.665 414 H GLU 53 H GLU 53 7.167 7.453 -2.501 415 HA GLU 53 HA GLU 53 5.368 9.495 -2.819 416 HB2 GLU 53 1HB GLU 53 8.080 9.305 -1.614 417 HB3 GLU 53 2HB GLU 53 7.419 10.916 -1.861 418 HG2 GLU 53 1HG GLU 53 5.708 8.885 -0.535 419 HG3 GLU 53 2HG GLU 53 7.040 9.590 0.379 420 H GLU 54 H GLU 54 8.346 8.945 -4.571 421 HA GLU 54 HA GLU 54 8.158 11.512 -5.931 422 HB2 GLU 54 1HB GLU 54 10.144 9.256 -6.252 423 HB3 GLU 54 2HB GLU 54 10.249 10.822 -7.042 424 HG2 GLU 54 1HG GLU 54 10.123 11.698 -4.560 425 HG3 GLU 54 2HG GLU 54 10.745 10.087 -4.211 426 H LYS 55 H LYS 55 8.007 8.056 -6.722 427 HA LYS 55 HA LYS 55 7.628 8.228 -9.458 428 HB2 LYS 55 1HB LYS 55 6.601 6.260 -7.423 429 HB3 LYS 55 2HB LYS 55 6.287 6.066 -9.142 430 HG2 LYS 55 1HG LYS 55 9.078 6.405 -8.116 431 HG3 LYS 55 2HG LYS 55 8.283 4.829 -8.108 432 HD2 LYS 55 1HD LYS 55 8.427 6.524 -10.586 433 HD3 LYS 55 2HD LYS 55 9.726 5.417 -10.137 434 HE2 LYS 55 1HE LYS 55 8.157 3.552 -10.153 435 HE3 LYS 55 2HE LYS 55 6.837 4.651 -10.554 436 HZ1 LYS 55 3HZ LYS 55 8.708 5.139 -12.472 437 HZ2 LYS 55 1HZ LYS 55 7.319 4.192 -12.660 438 HZ3 LYS 55 2HZ LYS 55 8.794 3.462 -12.269 439 H PHE 56 H PHE 56 5.126 8.156 -6.923 440 HA PHE 56 HA PHE 56 3.274 9.380 -8.861 441 HB2 PHE 56 1HB PHE 56 2.215 7.839 -6.537 442 HB3 PHE 56 2HB PHE 56 1.531 8.058 -8.145 443 HD1 PHE 56 HD2 PHE 56 2.252 6.663 -10.005 444 HD2 PHE 56 HD1 PHE 56 3.775 6.077 -6.073 445 HE1 PHE 56 HE2 PHE 56 3.097 4.450 -10.666 446 HE2 PHE 56 HE1 PHE 56 4.622 3.862 -6.728 447 HZ PHE 56 HZ PHE 56 4.283 3.045 -9.026 448 HA PRO 57 HA PRO 57 3.863 12.429 -5.469 449 HB2 PRO 57 1HB PRO 57 3.656 14.592 -7.096 450 HB3 PRO 57 2HB PRO 57 5.171 13.716 -6.850 451 HG2 PRO 57 1HG PRO 57 3.214 13.518 -9.106 452 HG3 PRO 57 2HG PRO 57 4.986 13.563 -9.164 453 HD2 PRO 57 1HD PRO 57 3.578 11.261 -9.386 454 HD3 PRO 57 2HD PRO 57 5.184 11.328 -8.633 455 H ALA 58 H ALA 58 1.356 11.385 -7.352 456 HA ALA 58 HA ALA 58 -0.516 13.488 -6.586 457 HB1 ALA 58 3HB ALA 58 -2.133 11.935 -7.873 458 HB2 ALA 58 1HB ALA 58 -0.924 12.848 -8.775 459 HB3 ALA 58 2HB ALA 58 -0.663 11.137 -8.431 460 H ASP 59 H ASP 59 -0.292 9.939 -6.291 461 HA ASP 59 HA ASP 59 -2.089 10.088 -3.971 462 HB2 ASP 59 1HB ASP 59 -1.953 7.457 -4.404 463 HB3 ASP 59 2HB ASP 59 -3.071 8.495 -5.286 464 H SER 60 H SER 60 1.145 9.867 -4.734 465 HA SER 60 HA SER 60 3.030 9.257 -3.608 466 HB2 SER 60 1HB SER 60 1.366 9.494 -1.101 467 HB3 SER 60 2HB SER 60 3.092 9.800 -1.293 468 HG SER 60 HG SER 60 2.136 11.444 -2.938 469 H GLY 61 H GLY 61 1.111 7.144 -4.395 470 HA2 GLY 61 1HA GLY 61 1.392 4.821 -4.312 471 HA3 GLY 61 2HA GLY 61 2.318 5.008 -2.831 472 H LEU 62 H LEU 62 -0.685 6.663 -2.986 473 HA LEU 62 HA LEU 62 -1.727 5.084 -0.823 474 HB2 LEU 62 1HB LEU 62 -2.190 7.368 -0.659 475 HB3 LEU 62 2HB LEU 62 -2.694 7.478 -2.344 476 HG LEU 62 HG LEU 62 -4.756 6.288 -1.819 477 HD11 LEU 62 1HD1 LEU 62 -4.348 6.472 1.095 478 HD12 LEU 62 2HD1 LEU 62 -3.454 5.200 0.264 479 HD13 LEU 62 3HD1 LEU 62 -5.211 5.268 0.140 480 HD21 LEU 62 3HD2 LEU 62 -4.851 8.278 0.320 481 HD22 LEU 62 1HD2 LEU 62 -5.768 8.179 -1.184 482 HD23 LEU 62 2HD2 LEU 62 -4.149 8.878 -1.184 483 H GLY 63 H GLY 63 -3.352 6.069 -3.839 484 HA2 GLY 63 1HA GLY 63 -5.350 4.202 -3.873 485 HA3 GLY 63 2HA GLY 63 -4.615 4.851 -5.332 486 H LYS 64 H LYS 64 -2.250 3.801 -5.594 487 HA LYS 64 HA LYS 64 -2.547 1.285 -6.575 488 HB2 LYS 64 1HB LYS 64 -0.496 2.947 -6.559 489 HB3 LYS 64 2HB LYS 64 0.045 1.927 -5.232 490 HG2 LYS 64 1HG LYS 64 1.056 1.071 -7.178 491 HG3 LYS 64 2HG LYS 64 -0.255 -0.041 -6.778 492 HD2 LYS 64 1HD LYS 64 -1.510 0.570 -8.589 493 HD3 LYS 64 2HD LYS 64 -0.850 2.207 -8.631 494 HE2 LYS 64 1HE LYS 64 0.849 -0.175 -9.289 495 HE3 LYS 64 2HE LYS 64 -0.193 0.565 -10.504 496 HZ1 LYS 64 3HZ LYS 64 1.139 2.664 -9.368 497 HZ2 LYS 64 1HZ LYS 64 1.479 1.959 -10.868 498 HZ3 LYS 64 2HZ LYS 64 2.319 1.459 -9.488 499 H LEU 65 H LEU 65 -1.868 2.175 -3.244 500 HA LEU 65 HA LEU 65 -1.448 -0.536 -2.382 501 HB2 LEU 65 1HB LEU 65 -0.437 1.499 -1.312 502 HB3 LEU 65 2HB LEU 65 -2.039 1.877 -0.681 503 HG LEU 65 HG LEU 65 -0.533 0.805 0.972 504 HD11 LEU 65 1HD1 LEU 65 -2.589 -1.249 0.666 505 HD12 LEU 65 2HD1 LEU 65 -3.201 0.402 0.551 506 HD13 LEU 65 3HD1 LEU 65 -2.306 -0.110 1.982 507 HD21 LEU 65 3HD2 LEU 65 0.561 -0.680 -0.766 508 HD22 LEU 65 1HD2 LEU 65 -0.865 -1.710 -0.641 509 HD23 LEU 65 2HD2 LEU 65 0.155 -1.441 0.773 510 H ILE 66 H ILE 66 -4.050 1.858 -2.044 511 HA ILE 66 HA ILE 66 -5.828 0.514 -0.465 512 HB ILE 66 HB ILE 66 -6.321 2.288 -2.842 513 HG12 ILE 66 1HG1 ILE 66 -6.854 2.733 0.099 514 HG13 ILE 66 2HG1 ILE 66 -5.351 3.190 -0.695 515 HG21 ILE 66 1HG2 ILE 66 -8.680 2.389 -2.195 516 HG22 ILE 66 2HG2 ILE 66 -8.214 0.764 -2.694 517 HG23 ILE 66 3HG2 ILE 66 -8.398 1.140 -0.982 518 HD11 ILE 66 3HD1 ILE 66 -7.419 4.852 -0.362 519 HD12 ILE 66 1HD1 ILE 66 -6.273 4.981 -1.696 520 HD13 ILE 66 2HD1 ILE 66 -7.826 4.182 -1.942 521 H GLU 67 H GLU 67 -5.656 0.270 -4.020 522 HA GLU 67 HA GLU 67 -7.627 -1.661 -4.356 523 HB2 GLU 67 1HB GLU 67 -5.129 -1.117 -5.964 524 HB3 GLU 67 2HB GLU 67 -6.385 -2.236 -6.477 525 HG2 GLU 67 1HG GLU 67 -6.884 0.669 -5.882 526 HG3 GLU 67 2HG GLU 67 -6.510 0.044 -7.488 527 H PHE 68 H PHE 68 -4.132 -2.090 -3.884 528 HA PHE 68 HA PHE 68 -3.915 -4.813 -4.131 529 HB2 PHE 68 1HB PHE 68 -1.937 -3.521 -3.793 530 HB3 PHE 68 2HB PHE 68 -2.512 -2.926 -2.239 531 HD1 PHE 68 HD1 PHE 68 -1.453 -6.014 -4.004 532 HD2 PHE 68 HD2 PHE 68 -1.959 -4.034 -0.269 533 HE1 PHE 68 HE1 PHE 68 -0.284 -7.858 -2.871 534 HE2 PHE 68 HE2 PHE 68 -0.790 -5.875 0.869 535 HZ PHE 68 HZ PHE 68 0.050 -7.791 -0.431 536 H CYS 69 H CYS 69 -5.279 -2.981 -1.486 537 HA CYS 69 HA CYS 69 -5.439 -5.218 0.309 538 HB2 CYS 69 1HB CYS 69 -6.673 -2.462 0.363 539 HB3 CYS 69 2HB CYS 69 -6.918 -3.653 1.635 540 HG CYS 69 HG CYS 69 -4.475 -1.521 1.278 541 H GLU 70 H GLU 70 -7.601 -3.606 -1.953 542 HA GLU 70 HA GLU 70 -10.015 -4.775 -1.217 543 HB2 GLU 70 1HB GLU 70 -8.944 -3.758 -3.832 544 HB3 GLU 70 2HB GLU 70 -10.530 -4.511 -3.753 545 HG2 GLU 70 1HG GLU 70 -9.888 -2.327 -1.840 546 HG3 GLU 70 2HG GLU 70 -10.242 -1.918 -3.517 547 H GLU 71 H GLU 71 -7.916 -5.833 -3.907 548 HA GLU 71 HA GLU 71 -9.084 -8.105 -4.709 549 HB2 GLU 71 1HB GLU 71 -7.040 -8.827 -5.527 550 HB3 GLU 71 2HB GLU 71 -6.752 -7.107 -5.303 551 HG2 GLU 71 1HG GLU 71 -5.596 -7.525 -3.231 552 HG3 GLU 71 2HG GLU 71 -5.973 -9.244 -3.334 553 H VAL 72 H VAL 72 -7.248 -7.746 -1.716 554 HA VAL 72 HA VAL 72 -7.744 -10.527 -0.993 555 HB VAL 72 HB VAL 72 -6.431 -8.536 0.823 556 HG11 VAL 72 1HG1 VAL 72 -5.798 -11.438 0.346 557 HG12 VAL 72 2HG1 VAL 72 -5.309 -10.426 1.705 558 HG13 VAL 72 3HG1 VAL 72 -6.999 -10.895 1.516 559 HG21 VAL 72 3HG2 VAL 72 -5.354 -8.194 -1.324 560 HG22 VAL 72 1HG2 VAL 72 -4.269 -9.058 -0.233 561 HG23 VAL 72 2HG2 VAL 72 -5.118 -9.933 -1.508 562 HA PRO 73 HA PRO 73 -11.425 -9.474 1.237 563 HB2 PRO 73 1HB PRO 73 -11.731 -11.855 2.505 564 HB3 PRO 73 2HB PRO 73 -12.110 -11.622 0.795 565 HG2 PRO 73 1HG PRO 73 -9.661 -12.801 2.047 566 HG3 PRO 73 2HG PRO 73 -10.576 -13.361 0.635 567 HD2 PRO 73 1HD PRO 73 -8.271 -11.958 0.413 568 HD3 PRO 73 2HD PRO 73 -9.586 -11.829 -0.773 569 H ALA 74 H ALA 74 -8.449 -10.538 2.685 570 HA ALA 74 HA ALA 74 -9.340 -9.941 5.386 571 HB1 ALA 74 3HB ALA 74 -6.491 -10.510 4.736 572 HB2 ALA 74 1HB ALA 74 -7.449 -10.993 6.136 573 HB3 ALA 74 2HB ALA 74 -7.674 -11.810 4.589 574 H LEU 75 H LEU 75 -8.136 -8.218 2.785 575 HA LEU 75 HA LEU 75 -7.003 -6.146 4.545 576 HB2 LEU 75 1HB LEU 75 -6.475 -6.702 1.630 577 HB3 LEU 75 2HB LEU 75 -5.843 -5.314 2.514 578 HG LEU 75 HG LEU 75 -5.184 -8.209 3.052 579 HD11 LEU 75 1HD1 LEU 75 -3.299 -7.962 1.839 580 HD12 LEU 75 2HD1 LEU 75 -3.116 -6.261 2.264 581 HD13 LEU 75 3HD1 LEU 75 -4.255 -6.738 1.004 582 HD21 LEU 75 3HD2 LEU 75 -4.942 -7.270 5.130 583 HD22 LEU 75 1HD2 LEU 75 -4.569 -5.671 4.486 584 HD23 LEU 75 2HD2 LEU 75 -3.351 -6.946 4.441 585 H ARG 76 H ARG 76 -9.534 -6.941 2.415 586 HA ARG 76 HA ARG 76 -10.260 -4.615 1.179 587 HB2 ARG 76 1HB ARG 76 -11.788 -6.892 2.332 588 HB3 ARG 76 2HB ARG 76 -12.697 -5.455 1.884 589 HG2 ARG 76 1HG ARG 76 -11.880 -5.605 -0.389 590 HG3 ARG 76 2HG ARG 76 -10.878 -6.992 0.044 591 HD2 ARG 76 1HD ARG 76 -12.726 -8.012 -0.890 592 HD3 ARG 76 2HD ARG 76 -13.127 -8.034 0.826 593 HE ARG 76 HE ARG 76 -14.264 -5.746 0.022 594 HH11 ARG 76 1HH1 ARG 76 -14.350 -8.969 -1.291 595 HH12 ARG 76 2HH1 ARG 76 -15.940 -8.795 -1.958 596 HH21 ARG 76 1HH2 ARG 76 -16.357 -5.504 -0.851 597 HH22 ARG 76 2HH2 ARG 76 -17.080 -6.823 -1.708 598 H LYS 77 H LYS 77 -11.268 -5.574 4.464 599 HA LYS 77 HA LYS 77 -12.705 -3.382 5.216 600 HB2 LYS 77 1HB LYS 77 -11.997 -5.537 6.535 601 HB3 LYS 77 2HB LYS 77 -10.710 -4.506 7.147 602 HG2 LYS 77 1HG LYS 77 -13.600 -3.713 7.300 603 HG3 LYS 77 2HG LYS 77 -12.818 -4.687 8.547 604 HD2 LYS 77 1HD LYS 77 -11.027 -2.770 8.478 605 HD3 LYS 77 2HD LYS 77 -12.357 -1.837 7.790 606 HE2 LYS 77 1HE LYS 77 -12.852 -3.427 10.259 607 HE3 LYS 77 2HE LYS 77 -11.938 -1.926 10.393 608 HZ1 LYS 77 3HZ LYS 77 -14.631 -2.168 9.166 609 HZ2 LYS 77 1HZ LYS 77 -13.762 -0.735 9.401 610 HZ3 LYS 77 2HZ LYS 77 -14.328 -1.608 10.733 611 H ARG 78 H ARG 78 -9.228 -3.636 4.892 612 HA ARG 78 HA ARG 78 -8.630 -1.167 6.194 613 HB2 ARG 78 1HB ARG 78 -7.105 -3.248 5.618 614 HB3 ARG 78 2HB ARG 78 -6.809 -2.342 4.140 615 HG2 ARG 78 1HG ARG 78 -5.072 -1.797 5.647 616 HG3 ARG 78 2HG ARG 78 -6.146 -0.398 5.577 617 HD2 ARG 78 1HD ARG 78 -5.581 -0.765 7.866 618 HD3 ARG 78 2HD ARG 78 -7.260 -1.251 7.645 619 HE ARG 78 HE ARG 78 -4.999 -2.979 8.228 620 HH11 ARG 78 1HH1 ARG 78 -8.341 -2.712 7.292 621 HH12 ARG 78 2HH1 ARG 78 -8.734 -4.336 7.748 622 HH21 ARG 78 1HH2 ARG 78 -5.504 -5.120 8.833 623 HH22 ARG 78 2HH2 ARG 78 -7.119 -5.706 8.624 624 H ALA 79 H ALA 79 -9.178 -2.155 2.853 625 HA ALA 79 HA ALA 79 -8.382 0.194 1.567 626 HB1 ALA 79 3HB ALA 79 -10.072 -2.122 0.894 627 HB2 ALA 79 1HB ALA 79 -10.369 -0.658 -0.043 628 HB3 ALA 79 2HB ALA 79 -8.757 -1.372 -0.010 629 H GLU 80 H GLU 80 -11.657 -0.779 2.597 630 HA GLU 80 HA GLU 80 -13.013 1.515 1.850 631 HB2 GLU 80 1HB GLU 80 -14.757 0.836 3.309 632 HB3 GLU 80 2HB GLU 80 -13.999 -0.641 2.730 633 HG2 GLU 80 1HG GLU 80 -13.105 -1.151 4.769 634 HG3 GLU 80 2HG GLU 80 -13.050 0.532 5.290 635 H ILE 81 H ILE 81 -10.877 0.985 4.532 636 HA ILE 81 HA ILE 81 -11.693 3.334 5.983 637 HB ILE 81 HB ILE 81 -9.278 1.551 6.312 638 HG12 ILE 81 1HG1 ILE 81 -11.731 1.769 8.061 639 HG13 ILE 81 2HG1 ILE 81 -11.587 0.593 6.758 640 HG21 ILE 81 1HG2 ILE 81 -8.979 3.913 7.115 641 HG22 ILE 81 2HG2 ILE 81 -10.295 3.617 8.250 642 HG23 ILE 81 3HG2 ILE 81 -8.810 2.671 8.356 643 HD11 ILE 81 3HD1 ILE 81 -10.587 -0.784 8.160 644 HD12 ILE 81 1HD1 ILE 81 -9.260 0.365 8.324 645 HD13 ILE 81 2HD1 ILE 81 -10.631 0.436 9.432 646 H LEU 82 H LEU 82 -8.889 2.408 4.007 647 HA LEU 82 HA LEU 82 -7.582 4.917 4.219 648 HB2 LEU 82 1HB LEU 82 -7.297 2.852 2.043 649 HB3 LEU 82 2HB LEU 82 -6.146 4.125 2.446 650 HG LEU 82 HG LEU 82 -6.832 2.114 4.535 651 HD11 LEU 82 1HD1 LEU 82 -5.884 0.364 3.540 652 HD12 LEU 82 2HD1 LEU 82 -4.546 1.335 2.926 653 HD13 LEU 82 3HD1 LEU 82 -6.062 1.255 2.028 654 HD21 LEU 82 3HD2 LEU 82 -4.117 3.161 3.874 655 HD22 LEU 82 1HD2 LEU 82 -4.795 2.693 5.433 656 HD23 LEU 82 2HD2 LEU 82 -5.280 4.214 4.683 657 H LYS 83 H LYS 83 -10.084 3.676 2.157 658 HA LYS 83 HA LYS 83 -9.834 5.734 0.162 659 HB2 LYS 83 1HB LYS 83 -12.094 3.797 0.694 660 HB3 LYS 83 2HB LYS 83 -11.928 4.807 -0.735 661 HG2 LYS 83 1HG LYS 83 -10.284 3.513 -1.633 662 HG3 LYS 83 2HG LYS 83 -9.686 2.984 -0.059 663 HD2 LYS 83 1HD LYS 83 -10.686 1.077 -0.999 664 HD3 LYS 83 2HD LYS 83 -11.876 1.692 0.152 665 HE2 LYS 83 1HE LYS 83 -12.737 3.001 -1.970 666 HE3 LYS 83 2HE LYS 83 -11.926 1.689 -2.826 667 HZ1 LYS 83 3HZ LYS 83 -14.366 1.383 -2.243 668 HZ2 LYS 83 1HZ LYS 83 -13.850 1.152 -0.648 669 HZ3 LYS 83 2HZ LYS 83 -13.320 0.107 -1.868 670 H LYS 84 H LYS 84 -12.205 4.997 2.716 671 HA LYS 84 HA LYS 84 -13.760 7.316 2.353 672 HB2 LYS 84 1HB LYS 84 -14.165 5.101 3.744 673 HB3 LYS 84 2HB LYS 84 -13.505 6.071 5.056 674 HG2 LYS 84 1HG LYS 84 -15.760 6.446 5.277 675 HG3 LYS 84 2HG LYS 84 -15.263 7.825 4.292 676 HD2 LYS 84 1HD LYS 84 -15.988 6.656 2.276 677 HD3 LYS 84 2HD LYS 84 -16.456 5.256 3.245 678 HE2 LYS 84 1HE LYS 84 -17.605 8.004 3.675 679 HE3 LYS 84 2HE LYS 84 -18.319 6.833 2.567 680 HZ1 LYS 84 3HZ LYS 84 -18.693 5.331 4.363 681 HZ2 LYS 84 1HZ LYS 84 -19.320 6.836 4.815 682 HZ3 LYS 84 2HZ LYS 84 -17.842 6.311 5.449 683 H GLU 85 H GLU 85 -10.900 6.660 4.289 684 HA GLU 85 HA GLU 85 -10.999 9.187 5.663 685 HB2 GLU 85 1HB GLU 85 -9.975 7.391 6.843 686 HB3 GLU 85 2HB GLU 85 -8.923 7.009 5.487 687 HG2 GLU 85 1HG GLU 85 -7.437 8.105 6.793 688 HG3 GLU 85 2HG GLU 85 -8.088 9.481 5.906 689 H ARG 86 H ARG 86 -9.260 7.826 2.913 690 HA ARG 86 HA ARG 86 -7.280 9.546 2.372 691 HB2 ARG 86 1HB ARG 86 -7.675 7.870 0.773 692 HB3 ARG 86 2HB ARG 86 -9.338 8.382 0.516 693 HG2 ARG 86 1HG ARG 86 -8.407 10.506 -0.473 694 HG3 ARG 86 2HG ARG 86 -6.824 9.725 -0.431 695 HD2 ARG 86 1HD ARG 86 -7.938 7.816 -1.719 696 HD3 ARG 86 2HD ARG 86 -9.261 8.945 -2.004 697 HE ARG 86 HE ARG 86 -6.849 10.176 -2.732 698 HH11 ARG 86 1HH1 ARG 86 -8.942 7.589 -3.755 699 HH12 ARG 86 2HH1 ARG 86 -8.497 7.714 -5.425 700 HH21 ARG 86 1HH2 ARG 86 -6.256 10.352 -4.928 701 HH22 ARG 86 2HH2 ARG 86 -6.969 9.286 -6.091 702 H SER 87 H SER 87 -10.659 10.195 1.425 703 HA SER 87 HA SER 87 -10.142 12.849 0.572 704 HB2 SER 87 1HB SER 87 -12.730 11.491 1.356 705 HB3 SER 87 2HB SER 87 -12.630 13.086 0.610 706 HG SER 87 HG SER 87 -12.609 12.041 -1.203 707 H GLU 88 H GLU 88 -10.198 14.753 1.631 708 HA GLU 88 HA GLU 88 -10.724 14.653 4.528 709 HB2 GLU 88 1HB GLU 88 -8.926 16.531 2.984 710 HB3 GLU 88 2HB GLU 88 -9.200 16.583 4.720 711 HG2 GLU 88 1HG GLU 88 -8.111 14.143 3.361 712 HG3 GLU 88 2HG GLU 88 -7.072 15.464 3.892 713 H SER 89 H SER 89 -10.917 16.820 1.710 714 HA SER 89 HA SER 89 -13.253 18.097 2.978 715 HB2 SER 89 1HB SER 89 -11.026 19.449 2.629 716 HB3 SER 89 2HB SER 89 -11.578 19.546 0.957 717 HG SER 89 HG SER 89 -12.454 20.891 3.141 718 H GLY 90 H GLY 90 -13.602 15.840 1.449 719 HA2 GLY 90 1HA GLY 90 -14.860 16.965 -0.974 720 HA3 GLY 90 2HA GLY 90 -13.988 15.441 -1.023 721 HA PRO 91 HA PRO 91 -18.455 14.467 -0.362 722 HB2 PRO 91 1HB PRO 91 -18.497 12.401 -2.123 723 HB3 PRO 91 2HB PRO 91 -18.754 14.081 -2.607 724 HG2 PRO 91 1HG PRO 91 -16.272 12.417 -2.785 725 HG3 PRO 91 2HG PRO 91 -16.958 13.534 -3.979 726 HD2 PRO 91 1HD PRO 91 -14.890 14.214 -2.368 727 HD3 PRO 91 2HD PRO 91 -16.097 15.392 -2.922 728 H SER 92 H SER 92 -18.047 13.707 1.734 729 HA SER 92 HA SER 92 -18.070 10.891 2.047 730 HB2 SER 92 1HB SER 92 -15.691 11.008 1.655 731 HB3 SER 92 2HB SER 92 -15.519 12.330 2.809 732 HG SER 92 HG SER 92 -16.418 9.719 3.467 733 H SER 93 H SER 93 -18.572 10.250 4.166 734 HA SER 93 HA SER 93 -19.106 12.463 6.038 735 HB2 SER 93 1HB SER 93 -21.187 11.481 6.664 736 HB3 SER 93 2HB SER 93 -21.159 11.488 4.900 737 HG SER 93 HG SER 93 -20.613 9.304 4.941 738 H GLY 94 H GLY 94 -19.250 11.797 8.319 739 HA2 GLY 94 1HA GLY 94 -18.837 9.868 9.866 740 HA3 GLY 94 2HA GLY 94 -17.440 9.524 8.857 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -15.079 12.032 28.511 2 HA2 GLY 1 1HA GLY 1 -15.011 11.736 26.103 3 HA3 GLY 1 2HA GLY 1 -15.587 13.364 26.430 4 H SER 2 H SER 2 -12.375 11.814 26.432 5 HA SER 2 HA SER 2 -11.483 13.919 24.571 6 HB2 SER 2 1HB SER 2 -10.548 14.280 26.817 7 HB3 SER 2 2HB SER 2 -9.885 12.646 26.808 8 HG SER 2 HG SER 2 -9.236 14.409 24.724 9 H SER 3 H SER 3 -11.544 12.800 22.684 10 HA SER 3 HA SER 3 -9.986 10.301 22.557 11 HB2 SER 3 1HB SER 3 -12.440 11.200 21.069 12 HB3 SER 3 2HB SER 3 -11.372 9.976 20.381 13 HG SER 3 HG SER 3 -13.196 9.237 21.748 14 H GLY 4 H GLY 4 -9.093 9.904 20.277 15 HA2 GLY 4 1HA GLY 4 -8.583 11.769 18.363 16 HA3 GLY 4 2HA GLY 4 -7.420 12.155 19.623 17 H SER 5 H SER 5 -5.486 11.331 19.244 18 HA SER 5 HA SER 5 -3.819 9.995 18.455 19 HB2 SER 5 1HB SER 5 -5.876 8.038 19.424 20 HB3 SER 5 2HB SER 5 -4.411 7.452 18.637 21 HG SER 5 HG SER 5 -3.214 8.634 20.210 22 H SER 6 H SER 6 -5.315 11.130 16.444 23 HA SER 6 HA SER 6 -5.568 8.972 14.457 24 HB2 SER 6 1HB SER 6 -6.763 11.750 14.337 25 HB3 SER 6 2HB SER 6 -7.055 10.430 13.206 26 HG SER 6 HG SER 6 -7.927 9.259 15.034 27 H GLY 7 H GLY 7 -3.229 9.026 14.208 28 HA2 GLY 7 1HA GLY 7 -2.364 11.299 12.529 29 HA3 GLY 7 2HA GLY 7 -1.290 10.496 13.664 30 H ILE 8 H ILE 8 -3.510 9.498 11.053 31 HA ILE 8 HA ILE 8 -1.458 7.599 10.155 32 HB ILE 8 HB ILE 8 -4.411 7.717 9.541 33 HG12 ILE 8 1HG1 ILE 8 -2.984 5.460 10.906 34 HG13 ILE 8 2HG1 ILE 8 -3.456 6.882 11.829 35 HG21 ILE 8 1HG2 ILE 8 -4.015 6.482 7.741 36 HG22 ILE 8 2HG2 ILE 8 -2.284 6.524 8.067 37 HG23 ILE 8 3HG2 ILE 8 -3.281 5.248 8.764 38 HD11 ILE 8 3HD1 ILE 8 -5.125 5.156 12.031 39 HD12 ILE 8 1HD1 ILE 8 -5.784 6.528 11.141 40 HD13 ILE 8 2HD1 ILE 8 -5.290 5.073 10.277 41 H VAL 9 H VAL 9 -0.415 7.884 8.289 42 HA VAL 9 HA VAL 9 -1.355 10.025 6.497 43 HB VAL 9 HB VAL 9 0.843 10.455 7.527 44 HG11 VAL 9 1HG1 VAL 9 1.443 7.996 7.651 45 HG12 VAL 9 2HG1 VAL 9 1.893 8.120 5.948 46 HG13 VAL 9 3HG1 VAL 9 2.733 9.091 7.158 47 HG21 VAL 9 3HG2 VAL 9 1.509 9.917 4.686 48 HG22 VAL 9 1HG2 VAL 9 0.123 10.956 5.020 49 HG23 VAL 9 2HG2 VAL 9 1.717 11.386 5.641 50 H LEU 10 H LEU 10 -1.295 9.705 4.257 51 HA LEU 10 HA LEU 10 -2.238 7.415 3.196 52 HB2 LEU 10 1HB LEU 10 -0.223 9.086 1.718 53 HB3 LEU 10 2HB LEU 10 -1.565 8.164 1.045 54 HG LEU 10 HG LEU 10 -2.972 9.855 2.537 55 HD11 LEU 10 1HD1 LEU 10 -0.389 10.868 2.839 56 HD12 LEU 10 2HD1 LEU 10 -1.906 11.655 3.274 57 HD13 LEU 10 3HD1 LEU 10 -1.185 11.945 1.690 58 HD21 LEU 10 3HD2 LEU 10 -1.863 10.120 -0.223 59 HD22 LEU 10 1HD2 LEU 10 -2.879 11.399 0.441 60 HD23 LEU 10 2HD2 LEU 10 -3.508 9.758 0.297 61 H LEU 11 H LEU 11 1.064 8.041 4.084 62 HA LEU 11 HA LEU 11 2.206 5.840 2.668 63 HB2 LEU 11 1HB LEU 11 3.328 7.975 3.632 64 HB3 LEU 11 2HB LEU 11 3.419 7.042 5.125 65 HG LEU 11 HG LEU 11 4.514 5.847 2.624 66 HD11 LEU 11 1HD1 LEU 11 5.786 7.669 2.298 67 HD12 LEU 11 2HD1 LEU 11 6.712 7.031 3.656 68 HD13 LEU 11 3HD1 LEU 11 5.505 8.289 3.925 69 HD21 LEU 11 3HD2 LEU 11 6.253 5.323 4.608 70 HD22 LEU 11 1HD2 LEU 11 4.840 4.327 4.260 71 HD23 LEU 11 2HD2 LEU 11 4.773 5.532 5.545 72 H ARG 12 H ARG 12 1.105 6.359 5.992 73 HA ARG 12 HA ARG 12 1.961 4.115 7.268 74 HB2 ARG 12 1HB ARG 12 -0.536 5.730 7.457 75 HB3 ARG 12 2HB ARG 12 -0.477 4.202 8.328 76 HG2 ARG 12 1HG ARG 12 1.759 6.150 8.631 77 HG3 ARG 12 2HG ARG 12 0.243 6.414 9.495 78 HD2 ARG 12 1HD ARG 12 0.429 4.263 10.567 79 HD3 ARG 12 2HD ARG 12 1.859 3.872 9.614 80 HE ARG 12 HE ARG 12 2.247 6.255 11.106 81 HH11 ARG 12 1HH1 ARG 12 2.135 2.788 11.410 82 HH12 ARG 12 2HH1 ARG 12 3.189 2.744 12.785 83 HH21 ARG 12 1HH2 ARG 12 3.635 6.210 12.917 84 HH22 ARG 12 2HH2 ARG 12 4.040 4.691 13.641 85 H GLY 13 H GLY 13 -0.340 4.291 4.686 86 HA2 GLY 13 1HA GLY 13 -1.847 2.016 4.954 87 HA3 GLY 13 2HA GLY 13 -1.270 2.619 3.407 88 H LEU 14 H LEU 14 1.562 2.210 4.374 89 HA LEU 14 HA LEU 14 1.793 -0.510 3.434 90 HB2 LEU 14 1HB LEU 14 4.030 1.237 4.416 91 HB3 LEU 14 2HB LEU 14 4.116 -0.114 3.288 92 HG LEU 14 HG LEU 14 2.605 2.382 2.590 93 HD11 LEU 14 1HD1 LEU 14 4.440 3.594 2.292 94 HD12 LEU 14 2HD1 LEU 14 5.252 2.277 1.447 95 HD13 LEU 14 3HD1 LEU 14 5.319 2.369 3.208 96 HD21 LEU 14 3HD2 LEU 14 4.103 0.450 0.835 97 HD22 LEU 14 1HD2 LEU 14 2.911 1.658 0.358 98 HD23 LEU 14 2HD2 LEU 14 2.406 0.237 1.272 99 H GLU 15 H GLU 15 3.196 1.173 6.254 100 HA GLU 15 HA GLU 15 4.028 -1.017 7.678 101 HB2 GLU 15 1HB GLU 15 2.842 1.540 8.772 102 HB3 GLU 15 2HB GLU 15 3.764 0.378 9.715 103 HG2 GLU 15 1HG GLU 15 5.756 0.913 8.678 104 HG3 GLU 15 2HG GLU 15 4.955 1.587 7.259 105 H CYS 16 H CYS 16 0.782 0.222 7.319 106 HA CYS 16 HA CYS 16 -0.527 -0.996 9.425 107 HB2 CYS 16 1HB CYS 16 -1.622 0.570 7.891 108 HB3 CYS 16 2HB CYS 16 -1.529 -0.618 6.595 109 HG CYS 16 HG CYS 16 -3.244 -2.443 7.904 110 H ILE 17 H ILE 17 0.076 -2.340 6.183 111 HA ILE 17 HA ILE 17 -0.988 -4.910 6.882 112 HB ILE 17 HB ILE 17 0.044 -5.615 4.682 113 HG12 ILE 17 1HG1 ILE 17 0.531 -2.652 4.346 114 HG13 ILE 17 2HG1 ILE 17 1.803 -3.798 4.751 115 HG21 ILE 17 1HG2 ILE 17 -1.609 -4.400 3.344 116 HG22 ILE 17 2HG2 ILE 17 -2.288 -4.949 4.875 117 HG23 ILE 17 3HG2 ILE 17 -1.836 -3.258 4.666 118 HD11 ILE 17 3HD1 ILE 17 2.109 -3.972 2.559 119 HD12 ILE 17 1HD1 ILE 17 0.636 -4.940 2.551 120 HD13 ILE 17 2HD1 ILE 17 0.559 -3.214 2.194 121 H ASN 18 H ASN 18 0.162 -6.869 7.077 122 HA ASN 18 HA ASN 18 2.680 -6.597 8.445 123 HB2 ASN 18 1HB ASN 18 0.938 -8.975 7.790 124 HB3 ASN 18 2HB ASN 18 2.479 -9.122 8.629 125 HD21 ASN 18 1HD2 ASN 18 -0.794 -8.737 8.997 126 HD22 ASN 18 2HD2 ASN 18 -0.823 -8.200 10.638 127 H LYS 19 H LYS 19 4.668 -7.411 7.819 128 HA LYS 19 HA LYS 19 5.644 -7.077 5.360 129 HB2 LYS 19 1HB LYS 19 6.374 -9.243 7.328 130 HB3 LYS 19 2HB LYS 19 7.298 -8.950 5.860 131 HG2 LYS 19 1HG LYS 19 6.768 -6.758 7.833 132 HG3 LYS 19 2HG LYS 19 8.115 -7.883 8.034 133 HD2 LYS 19 1HD LYS 19 9.055 -7.222 5.925 134 HD3 LYS 19 2HD LYS 19 7.640 -6.236 5.551 135 HE2 LYS 19 1HE LYS 19 9.158 -4.655 6.287 136 HE3 LYS 19 2HE LYS 19 8.241 -4.999 7.753 137 HZ1 LYS 19 3HZ LYS 19 10.943 -5.974 7.033 138 HZ2 LYS 19 1HZ LYS 19 10.039 -6.646 8.295 139 HZ3 LYS 19 2HZ LYS 19 10.499 -5.020 8.359 140 H HIS 20 H HIS 20 4.047 -10.047 6.445 141 HA HIS 20 HA HIS 20 4.417 -11.760 4.385 142 HB2 HIS 20 1HB HIS 20 3.050 -12.535 6.124 143 HB3 HIS 20 2HB HIS 20 1.952 -11.165 5.998 144 HD1 HIS 20 HD1 HIS 20 3.014 -14.018 3.699 145 HD2 HIS 20 HD2 HIS 20 -0.369 -11.895 4.845 146 HE1 HIS 20 HE1 HIS 20 1.104 -15.066 2.442 147 HE2 HIS 20 HE2 HIS 20 -0.919 -13.711 3.086 148 H TYR 21 H TYR 21 1.675 -9.474 4.438 149 HA TYR 21 HA TYR 21 1.064 -9.866 1.693 150 HB2 TYR 21 1HB TYR 21 0.189 -7.892 3.778 151 HB3 TYR 21 2HB TYR 21 -0.281 -7.673 2.096 152 HD1 TYR 21 HD1 TYR 21 -0.826 -10.385 1.195 153 HD2 TYR 21 HD2 TYR 21 -1.715 -8.547 4.928 154 HE1 TYR 21 HE1 TYR 21 -2.700 -11.947 1.511 155 HE2 TYR 21 HE2 TYR 21 -3.591 -10.104 5.254 156 HH TYR 21 HH TYR 21 -4.627 -11.925 4.485 157 H PHE 22 H PHE 22 2.828 -7.363 3.466 158 HA PHE 22 HA PHE 22 3.222 -5.450 1.571 159 HB2 PHE 22 1HB PHE 22 4.123 -5.393 3.894 160 HB3 PHE 22 2HB PHE 22 5.391 -6.507 3.395 161 HD1 PHE 22 HD1 PHE 22 3.983 -3.553 1.629 162 HD2 PHE 22 HD2 PHE 22 7.362 -5.305 3.536 163 HE1 PHE 22 HE1 PHE 22 5.370 -1.650 0.916 164 HE2 PHE 22 HE2 PHE 22 8.752 -3.403 2.827 165 HZ PHE 22 HZ PHE 22 7.757 -1.572 1.516 166 H SER 23 H SER 23 4.877 -8.556 1.813 167 HA SER 23 HA SER 23 6.850 -8.180 -0.109 168 HB2 SER 23 1HB SER 23 6.473 -10.176 1.478 169 HB3 SER 23 2HB SER 23 5.403 -10.801 0.223 170 HG SER 23 HG SER 23 8.142 -10.125 -0.099 171 H LEU 24 H LEU 24 3.454 -9.006 -0.472 172 HA LEU 24 HA LEU 24 3.593 -9.619 -3.250 173 HB2 LEU 24 1HB LEU 24 1.356 -8.975 -1.361 174 HB3 LEU 24 2HB LEU 24 1.064 -9.173 -3.087 175 HG LEU 24 HG LEU 24 2.319 -11.471 -2.654 176 HD11 LEU 24 1HD1 LEU 24 2.278 -12.298 -0.548 177 HD12 LEU 24 2HD1 LEU 24 0.837 -11.387 -0.097 178 HD13 LEU 24 3HD1 LEU 24 2.409 -10.589 -0.136 179 HD21 LEU 24 3HD2 LEU 24 -0.176 -10.775 -3.291 180 HD22 LEU 24 1HD2 LEU 24 -0.482 -11.467 -1.698 181 HD23 LEU 24 2HD2 LEU 24 0.291 -12.442 -2.948 182 H PHE 25 H PHE 25 2.560 -6.741 -1.436 183 HA PHE 25 HA PHE 25 1.760 -5.126 -3.519 184 HB2 PHE 25 1HB PHE 25 1.628 -4.587 -1.067 185 HB3 PHE 25 2HB PHE 25 3.338 -4.171 -1.124 186 HD1 PHE 25 HD1 PHE 25 0.376 -3.428 -3.274 187 HD2 PHE 25 HD2 PHE 25 3.683 -1.912 -1.064 188 HE1 PHE 25 HE1 PHE 25 -0.210 -1.142 -3.972 189 HE2 PHE 25 HE2 PHE 25 3.103 0.375 -1.759 190 HZ PHE 25 HZ PHE 25 1.154 0.763 -3.214 191 H LYS 26 H LYS 26 5.044 -5.533 -2.230 192 HA LYS 26 HA LYS 26 6.341 -3.698 -3.885 193 HB2 LYS 26 1HB LYS 26 7.193 -6.117 -2.361 194 HB3 LYS 26 2HB LYS 26 8.317 -5.426 -3.523 195 HG2 LYS 26 1HG LYS 26 8.315 -3.327 -2.371 196 HG3 LYS 26 2HG LYS 26 7.029 -3.871 -1.292 197 HD2 LYS 26 1HD LYS 26 9.744 -5.168 -1.473 198 HD3 LYS 26 2HD LYS 26 9.318 -3.931 -0.289 199 HE2 LYS 26 1HE LYS 26 7.412 -5.447 0.404 200 HE3 LYS 26 2HE LYS 26 8.166 -6.695 -0.584 201 HZ1 LYS 26 3HZ LYS 26 9.904 -5.354 1.319 202 HZ2 LYS 26 1HZ LYS 26 9.822 -6.988 0.892 203 HZ3 LYS 26 2HZ LYS 26 8.707 -6.344 1.989 204 H SER 27 H SER 27 5.571 -7.108 -4.399 205 HA SER 27 HA SER 27 6.986 -7.471 -6.792 206 HB2 SER 27 1HB SER 27 4.697 -8.846 -5.461 207 HB3 SER 27 2HB SER 27 5.017 -9.222 -7.155 208 HG SER 27 HG SER 27 6.311 -10.609 -6.148 209 H LEU 28 H LEU 28 3.683 -6.356 -6.189 210 HA LEU 28 HA LEU 28 2.898 -6.205 -8.900 211 HB2 LEU 28 1HB LEU 28 1.849 -4.508 -6.647 212 HB3 LEU 28 2HB LEU 28 1.017 -4.957 -8.135 213 HG LEU 28 HG LEU 28 1.806 -6.955 -6.023 214 HD11 LEU 28 1HD1 LEU 28 -0.145 -4.941 -5.801 215 HD12 LEU 28 2HD1 LEU 28 0.097 -6.340 -4.754 216 HD13 LEU 28 3HD1 LEU 28 -1.006 -6.445 -6.127 217 HD21 LEU 28 3HD2 LEU 28 0.341 -7.024 -8.595 218 HD22 LEU 28 1HD2 LEU 28 -0.302 -8.005 -7.277 219 HD23 LEU 28 2HD2 LEU 28 1.356 -8.249 -7.829 220 H LEU 29 H LEU 29 4.290 -3.828 -6.675 221 HA LEU 29 HA LEU 29 4.261 -1.729 -8.643 222 HB2 LEU 29 1HB LEU 29 5.145 -2.027 -5.828 223 HB3 LEU 29 2HB LEU 29 5.901 -0.754 -6.784 224 HG LEU 29 HG LEU 29 4.036 0.099 -5.461 225 HD11 LEU 29 1HD1 LEU 29 3.064 0.133 -8.282 226 HD12 LEU 29 2HD1 LEU 29 4.623 0.853 -7.882 227 HD13 LEU 29 3HD1 LEU 29 3.154 1.445 -7.107 228 HD21 LEU 29 3HD2 LEU 29 2.056 -1.363 -7.120 229 HD22 LEU 29 1HD2 LEU 29 1.920 -0.743 -5.474 230 HD23 LEU 29 2HD2 LEU 29 2.816 -2.230 -5.785 231 H ALA 30 H ALA 30 6.385 -4.273 -7.744 232 HA ALA 30 HA ALA 30 8.910 -3.543 -8.177 233 HB1 ALA 30 3HB ALA 30 9.398 -5.691 -8.910 234 HB2 ALA 30 1HB ALA 30 7.880 -5.907 -8.039 235 HB3 ALA 30 2HB ALA 30 7.885 -5.840 -9.801 236 H ARG 31 H ARG 31 6.683 -4.216 -10.885 237 HA ARG 31 HA ARG 31 8.331 -3.591 -12.992 238 HB2 ARG 31 1HB ARG 31 6.186 -2.855 -14.164 239 HB3 ARG 31 2HB ARG 31 6.218 -4.489 -13.515 240 HG2 ARG 31 1HG ARG 31 5.170 -3.220 -11.411 241 HG3 ARG 31 2HG ARG 31 4.609 -2.152 -12.700 242 HD2 ARG 31 1HD ARG 31 4.293 -5.080 -13.082 243 HD3 ARG 31 2HD ARG 31 3.228 -4.283 -11.924 244 HE ARG 31 HE ARG 31 3.371 -2.983 -14.491 245 HH11 ARG 31 1HH1 ARG 31 1.775 -5.413 -12.576 246 HH12 ARG 31 2HH1 ARG 31 0.323 -5.391 -13.521 247 HH21 ARG 31 1HH2 ARG 31 1.465 -2.945 -15.743 248 HH22 ARG 31 2HH2 ARG 31 0.148 -3.987 -15.323 249 H ASP 32 H ASP 32 5.985 -1.311 -11.565 250 HA ASP 32 HA ASP 32 6.975 0.960 -12.877 251 HB2 ASP 32 1HB ASP 32 5.267 0.523 -10.454 252 HB3 ASP 32 2HB ASP 32 5.839 2.146 -10.829 253 H LEU 33 H LEU 33 7.370 0.119 -9.429 254 HA LEU 33 HA LEU 33 9.304 2.055 -8.869 255 HB2 LEU 33 1HB LEU 33 8.750 -0.609 -7.582 256 HB3 LEU 33 2HB LEU 33 9.889 0.567 -6.931 257 HG LEU 33 HG LEU 33 6.919 0.984 -7.270 258 HD11 LEU 33 1HD1 LEU 33 7.866 -0.604 -5.442 259 HD12 LEU 33 2HD1 LEU 33 6.664 0.611 -5.010 260 HD13 LEU 33 3HD1 LEU 33 8.369 0.896 -4.660 261 HD21 LEU 33 3HD2 LEU 33 8.160 2.852 -5.524 262 HD22 LEU 33 1HD2 LEU 33 7.299 3.154 -7.032 263 HD23 LEU 33 2HD2 LEU 33 9.036 2.854 -7.055 264 H ASN 34 H ASN 34 9.557 -0.677 -10.799 265 HA ASN 34 HA ASN 34 11.288 -1.782 -11.780 266 HB2 ASN 34 1HB ASN 34 12.673 0.820 -11.106 267 HB3 ASN 34 2HB ASN 34 13.376 -0.428 -12.132 268 HD21 ASN 34 1HD2 ASN 34 13.452 1.184 -13.781 269 HD22 ASN 34 2HD2 ASN 34 12.037 1.548 -14.705 270 H LEU 35 H LEU 35 10.854 -2.198 -8.943 271 HA LEU 35 HA LEU 35 13.148 -2.247 -7.394 272 HB2 LEU 35 1HB LEU 35 10.960 -4.319 -7.438 273 HB3 LEU 35 2HB LEU 35 12.091 -4.024 -6.118 274 HG LEU 35 HG LEU 35 9.945 -2.130 -7.075 275 HD11 LEU 35 1HD1 LEU 35 9.815 -4.359 -5.355 276 HD12 LEU 35 2HD1 LEU 35 8.577 -3.139 -5.656 277 HD13 LEU 35 3HD1 LEU 35 9.732 -2.918 -4.341 278 HD21 LEU 35 3HD2 LEU 35 10.680 -1.108 -4.745 279 HD22 LEU 35 1HD2 LEU 35 11.474 -0.655 -6.254 280 HD23 LEU 35 2HD2 LEU 35 12.220 -1.847 -5.188 281 H GLU 36 H GLU 36 13.973 -4.605 -6.618 282 HA GLU 36 HA GLU 36 15.538 -5.550 -8.832 283 HB2 GLU 36 1HB GLU 36 15.446 -6.074 -5.898 284 HB3 GLU 36 2HB GLU 36 16.226 -7.266 -6.928 285 HG2 GLU 36 1HG GLU 36 18.002 -5.946 -6.374 286 HG3 GLU 36 2HG GLU 36 17.488 -5.189 -7.881 287 H ARG 37 H ARG 37 15.849 -8.064 -8.923 288 HA ARG 37 HA ARG 37 13.279 -9.139 -9.697 289 HB2 ARG 37 1HB ARG 37 16.118 -10.108 -9.966 290 HB3 ARG 37 2HB ARG 37 14.749 -11.134 -10.377 291 HG2 ARG 37 1HG ARG 37 15.085 -8.405 -11.575 292 HG3 ARG 37 2HG ARG 37 15.871 -9.830 -12.258 293 HD2 ARG 37 1HD ARG 37 13.758 -10.894 -12.633 294 HD3 ARG 37 2HD ARG 37 12.909 -9.626 -11.750 295 HE ARG 37 HE ARG 37 14.256 -8.405 -13.850 296 HH11 ARG 37 1HH1 ARG 37 11.707 -10.734 -13.402 297 HH12 ARG 37 2HH1 ARG 37 10.897 -10.324 -14.878 298 HH21 ARG 37 1HH2 ARG 37 13.199 -7.857 -15.794 299 HH22 ARG 37 2HH2 ARG 37 11.747 -8.689 -16.239 300 H ASP 38 H ASP 38 15.886 -10.058 -7.458 301 HA ASP 38 HA ASP 38 13.942 -11.761 -6.040 302 HB2 ASP 38 1HB ASP 38 16.883 -12.107 -6.544 303 HB3 ASP 38 2HB ASP 38 16.116 -12.888 -5.164 304 H ASN 39 H ASN 39 15.994 -9.053 -5.857 305 HA ASN 39 HA ASN 39 16.250 -9.105 -2.969 306 HB2 ASN 39 1HB ASN 39 17.269 -7.374 -5.173 307 HB3 ASN 39 2HB ASN 39 17.147 -6.670 -3.564 308 HD21 ASN 39 1HD2 ASN 39 17.850 -8.626 -1.904 309 HD22 ASN 39 2HD2 ASN 39 19.463 -9.161 -2.214 310 H GLN 40 H GLN 40 13.578 -9.109 -3.955 311 HA GLN 40 HA GLN 40 12.542 -6.428 -3.641 312 HB2 GLN 40 1HB GLN 40 11.361 -9.106 -4.253 313 HB3 GLN 40 2HB GLN 40 10.310 -7.816 -3.686 314 HG2 GLN 40 1HG GLN 40 10.927 -6.424 -5.543 315 HG3 GLN 40 2HG GLN 40 12.125 -7.603 -6.075 316 HE21 GLN 40 1HE2 GLN 40 11.243 -7.965 -8.064 317 HE22 GLN 40 2HE2 GLN 40 9.723 -8.750 -8.303 318 H GLU 41 H GLU 41 12.739 -9.399 -1.767 319 HA GLU 41 HA GLU 41 11.078 -8.446 0.364 320 HB2 GLU 41 1HB GLU 41 11.513 -10.880 -0.257 321 HB3 GLU 41 2HB GLU 41 13.075 -10.698 0.529 322 HG2 GLU 41 1HG GLU 41 11.646 -9.854 2.540 323 HG3 GLU 41 2HG GLU 41 10.345 -10.718 1.722 324 H GLN 42 H GLN 42 14.540 -8.602 -0.262 325 HA GLN 42 HA GLN 42 15.529 -7.976 2.249 326 HB2 GLN 42 1HB GLN 42 17.536 -7.278 1.164 327 HB3 GLN 42 2HB GLN 42 16.868 -8.600 0.216 328 HG2 GLN 42 1HG GLN 42 16.293 -7.236 -1.538 329 HG3 GLN 42 2HG GLN 42 16.201 -5.795 -0.528 330 HE21 GLN 42 1HE2 GLN 42 17.473 -4.829 -2.245 331 HE22 GLN 42 2HE2 GLN 42 19.189 -5.022 -2.235 332 H TYR 43 H TYR 43 13.601 -6.078 0.210 333 HA TYR 43 HA TYR 43 14.535 -3.506 1.074 334 HB2 TYR 43 1HB TYR 43 12.236 -4.504 -0.559 335 HB3 TYR 43 2HB TYR 43 12.178 -2.864 0.079 336 HD1 TYR 43 HD1 TYR 43 14.171 -1.326 -0.458 337 HD2 TYR 43 HD2 TYR 43 13.383 -4.951 -2.540 338 HE1 TYR 43 HE1 TYR 43 15.552 -0.540 -2.336 339 HE2 TYR 43 HE2 TYR 43 14.763 -4.177 -4.424 340 HH TYR 43 HH TYR 43 16.942 -1.986 -4.329 341 H THR 44 H THR 44 12.947 -1.947 2.102 342 HA THR 44 HA THR 44 11.513 -3.299 4.297 343 HB THR 44 HB THR 44 12.037 -1.343 5.716 344 HG1 THR 44 HG1 THR 44 12.434 0.281 4.268 345 HG21 THR 44 3HG2 THR 44 14.737 -2.099 4.845 346 HG22 THR 44 1HG2 THR 44 13.655 -3.460 5.134 347 HG23 THR 44 2HG2 THR 44 13.958 -2.289 6.416 348 H THR 45 H THR 45 10.141 -1.340 5.438 349 HA THR 45 HA THR 45 8.097 -0.760 3.502 350 HB THR 45 HB THR 45 7.031 0.434 5.524 351 HG1 THR 45 HG1 THR 45 7.965 0.046 7.489 352 HG21 THR 45 3HG2 THR 45 6.003 -1.562 5.142 353 HG22 THR 45 1HG2 THR 45 6.797 -1.973 6.661 354 HG23 THR 45 2HG2 THR 45 7.517 -2.464 5.128 355 H ILE 46 H ILE 46 10.762 0.930 4.891 356 HA ILE 46 HA ILE 46 9.763 3.572 4.352 357 HB ILE 46 HB ILE 46 12.464 2.519 5.154 358 HG12 ILE 46 1HG1 ILE 46 10.271 4.092 6.485 359 HG13 ILE 46 2HG1 ILE 46 11.010 2.581 7.004 360 HG21 ILE 46 1HG2 ILE 46 11.736 5.395 4.611 361 HG22 ILE 46 2HG2 ILE 46 13.261 4.817 5.280 362 HG23 ILE 46 3HG2 ILE 46 12.810 4.402 3.627 363 HD11 ILE 46 3HD1 ILE 46 11.995 4.001 8.467 364 HD12 ILE 46 1HD1 ILE 46 13.159 4.115 7.147 365 HD13 ILE 46 2HD1 ILE 46 11.936 5.369 7.356 366 H GLN 47 H GLN 47 12.691 1.975 3.096 367 HA GLN 47 HA GLN 47 13.354 3.492 1.015 368 HB2 GLN 47 1HB GLN 47 13.225 0.497 1.185 369 HB3 GLN 47 2HB GLN 47 13.811 1.286 -0.274 370 HG2 GLN 47 1HG GLN 47 15.374 2.559 1.372 371 HG3 GLN 47 2HG GLN 47 15.012 1.215 2.454 372 HE21 GLN 47 1HE2 GLN 47 16.295 -0.476 2.324 373 HE22 GLN 47 2HE2 GLN 47 17.296 -0.896 0.980 374 H ILE 48 H ILE 48 10.876 0.944 0.719 375 HA ILE 48 HA ILE 48 10.092 1.566 -1.895 376 HB ILE 48 HB ILE 48 8.338 0.400 0.268 377 HG12 ILE 48 1HG1 ILE 48 10.562 -0.757 -0.065 378 HG13 ILE 48 2HG1 ILE 48 9.144 -1.762 -0.346 379 HG21 ILE 48 1HG2 ILE 48 7.097 1.091 -1.697 380 HG22 ILE 48 2HG2 ILE 48 8.212 0.207 -2.738 381 HG23 ILE 48 3HG2 ILE 48 7.171 -0.669 -1.615 382 HD11 ILE 48 3HD1 ILE 48 10.861 -0.465 -2.448 383 HD12 ILE 48 1HD1 ILE 48 10.816 -2.178 -2.030 384 HD13 ILE 48 2HD1 ILE 48 9.405 -1.410 -2.762 385 H ALA 49 H ALA 49 8.865 2.717 1.221 386 HA ALA 49 HA ALA 49 6.648 4.137 0.406 387 HB1 ALA 49 3HB ALA 49 6.915 5.482 2.396 388 HB2 ALA 49 1HB ALA 49 7.322 3.804 2.754 389 HB3 ALA 49 2HB ALA 49 8.604 4.995 2.535 390 H ASN 50 H ASN 50 9.867 5.590 0.941 391 HA ASN 50 HA ASN 50 9.402 8.080 -0.096 392 HB2 ASN 50 1HB ASN 50 11.919 6.415 -0.308 393 HB3 ASN 50 2HB ASN 50 11.842 8.139 -0.654 394 HD21 ASN 50 1HD2 ASN 50 11.812 5.702 1.794 395 HD22 ASN 50 2HD2 ASN 50 11.955 6.764 3.149 396 H MET 51 H MET 51 10.906 5.435 -1.966 397 HA MET 51 HA MET 51 10.992 6.517 -4.439 398 HB2 MET 51 1HB MET 51 10.236 3.717 -3.624 399 HB3 MET 51 2HB MET 51 10.447 4.173 -5.309 400 HG2 MET 51 1HG MET 51 12.753 5.080 -4.421 401 HG3 MET 51 2HG MET 51 12.464 3.895 -3.149 402 HE1 MET 51 3HE MET 51 13.034 1.719 -3.179 403 HE2 MET 51 1HE MET 51 11.700 1.084 -4.143 404 HE3 MET 51 2HE MET 51 13.362 0.650 -4.544 405 H MET 52 H MET 52 8.117 5.123 -2.911 406 HA MET 52 HA MET 52 6.408 5.455 -5.146 407 HB2 MET 52 1HB MET 52 5.946 5.018 -2.209 408 HB3 MET 52 2HB MET 52 4.597 5.327 -3.293 409 HG2 MET 52 1HG MET 52 5.587 3.389 -4.689 410 HG3 MET 52 2HG MET 52 6.450 2.988 -3.205 411 HE1 MET 52 3HE MET 52 3.301 1.936 -5.123 412 HE2 MET 52 1HE MET 52 2.007 2.578 -4.111 413 HE3 MET 52 2HE MET 52 3.143 3.677 -4.893 414 H GLU 53 H GLU 53 6.881 7.390 -2.196 415 HA GLU 53 HA GLU 53 5.021 9.355 -2.539 416 HB2 GLU 53 1HB GLU 53 7.750 9.307 -1.354 417 HB3 GLU 53 2HB GLU 53 7.007 10.880 -1.611 418 HG2 GLU 53 1HG GLU 53 5.402 8.784 -0.256 419 HG3 GLU 53 2HG GLU 53 6.712 9.546 0.643 420 H GLU 54 H GLU 54 8.212 9.176 -4.073 421 HA GLU 54 HA GLU 54 7.788 11.620 -5.548 422 HB2 GLU 54 1HB GLU 54 9.960 9.535 -5.827 423 HB3 GLU 54 2HB GLU 54 9.962 11.127 -6.571 424 HG2 GLU 54 1HG GLU 54 9.978 12.151 -4.337 425 HG3 GLU 54 2HG GLU 54 10.040 10.541 -3.620 426 H LYS 55 H LYS 55 7.912 8.153 -6.282 427 HA LYS 55 HA LYS 55 7.655 8.197 -9.019 428 HB2 LYS 55 1HB LYS 55 7.963 6.135 -7.744 429 HB3 LYS 55 2HB LYS 55 6.343 6.289 -7.074 430 HG2 LYS 55 1HG LYS 55 6.135 4.702 -8.769 431 HG3 LYS 55 2HG LYS 55 5.520 6.194 -9.485 432 HD2 LYS 55 1HD LYS 55 7.508 6.523 -10.731 433 HD3 LYS 55 2HD LYS 55 8.371 5.284 -9.817 434 HE2 LYS 55 1HE LYS 55 7.301 3.551 -10.905 435 HE3 LYS 55 2HE LYS 55 5.915 4.548 -11.350 436 HZ1 LYS 55 3HZ LYS 55 7.123 5.573 -13.057 437 HZ2 LYS 55 1HZ LYS 55 7.504 3.930 -13.192 438 HZ3 LYS 55 2HZ LYS 55 8.609 5.000 -12.488 439 H PHE 56 H PHE 56 4.893 7.799 -6.792 440 HA PHE 56 HA PHE 56 3.186 9.038 -8.843 441 HB2 PHE 56 1HB PHE 56 2.017 7.544 -6.543 442 HB3 PHE 56 2HB PHE 56 1.443 7.678 -8.202 443 HD1 PHE 56 HD2 PHE 56 2.386 6.265 -9.960 444 HD2 PHE 56 HD1 PHE 56 3.560 5.840 -5.891 445 HE1 PHE 56 HE2 PHE 56 3.354 4.061 -10.473 446 HE2 PHE 56 HE1 PHE 56 4.531 3.637 -6.398 447 HZ PHE 56 HZ PHE 56 4.428 2.744 -8.691 448 HA PRO 57 HA PRO 57 3.420 12.225 -5.535 449 HB2 PRO 57 1HB PRO 57 3.275 14.320 -7.254 450 HB3 PRO 57 2HB PRO 57 4.792 13.506 -6.860 451 HG2 PRO 57 1HG PRO 57 3.024 13.162 -9.250 452 HG3 PRO 57 2HG PRO 57 4.792 13.264 -9.172 453 HD2 PRO 57 1HD PRO 57 3.479 10.910 -9.416 454 HD3 PRO 57 2HD PRO 57 5.018 11.059 -8.544 455 H ALA 58 H ALA 58 1.100 11.012 -7.534 456 HA ALA 58 HA ALA 58 -0.889 13.089 -7.105 457 HB1 ALA 58 3HB ALA 58 -0.544 11.385 -9.151 458 HB2 ALA 58 1HB ALA 58 -1.719 10.477 -8.199 459 HB3 ALA 58 2HB ALA 58 -2.097 12.112 -8.743 460 H ASP 59 H ASP 59 -0.504 9.642 -6.278 461 HA ASP 59 HA ASP 59 -2.315 10.091 -3.996 462 HB2 ASP 59 1HB ASP 59 -1.887 7.372 -5.185 463 HB3 ASP 59 2HB ASP 59 -3.263 7.982 -4.269 464 H SER 60 H SER 60 0.826 9.623 -4.813 465 HA SER 60 HA SER 60 2.699 8.913 -3.731 466 HB2 SER 60 1HB SER 60 0.978 9.279 -1.267 467 HB3 SER 60 2HB SER 60 2.741 9.230 -1.309 468 HG SER 60 HG SER 60 2.331 11.070 -2.938 469 H GLY 61 H GLY 61 0.615 6.923 -4.511 470 HA2 GLY 61 1HA GLY 61 1.014 4.566 -4.506 471 HA3 GLY 61 2HA GLY 61 1.671 4.714 -2.883 472 H LEU 62 H LEU 62 -0.696 6.516 -2.231 473 HA LEU 62 HA LEU 62 -2.246 4.875 -0.766 474 HB2 LEU 62 1HB LEU 62 -2.614 7.197 -0.610 475 HB3 LEU 62 2HB LEU 62 -3.027 7.324 -2.319 476 HG LEU 62 HG LEU 62 -5.102 5.999 -1.812 477 HD11 LEU 62 1HD1 LEU 62 -4.131 5.116 0.369 478 HD12 LEU 62 2HD1 LEU 62 -5.812 5.648 0.395 479 HD13 LEU 62 3HD1 LEU 62 -4.549 6.685 1.059 480 HD21 LEU 62 3HD2 LEU 62 -4.645 8.663 -1.705 481 HD22 LEU 62 1HD2 LEU 62 -5.318 8.381 -0.101 482 HD23 LEU 62 2HD2 LEU 62 -6.237 7.923 -1.534 483 H GLY 63 H GLY 63 -3.103 5.818 -4.104 484 HA2 GLY 63 1HA GLY 63 -5.297 4.106 -4.371 485 HA3 GLY 63 2HA GLY 63 -4.343 4.740 -5.704 486 H LYS 64 H LYS 64 -2.112 3.597 -5.890 487 HA LYS 64 HA LYS 64 -2.383 1.086 -6.829 488 HB2 LYS 64 1HB LYS 64 -0.297 2.656 -6.718 489 HB3 LYS 64 2HB LYS 64 0.106 1.724 -5.282 490 HG2 LYS 64 1HG LYS 64 1.267 0.713 -7.055 491 HG3 LYS 64 2HG LYS 64 -0.109 -0.343 -6.721 492 HD2 LYS 64 1HD LYS 64 -1.334 0.701 -8.583 493 HD3 LYS 64 2HD LYS 64 0.073 1.710 -8.928 494 HE2 LYS 64 1HE LYS 64 1.303 -0.610 -9.031 495 HE3 LYS 64 2HE LYS 64 -0.322 -1.216 -9.347 496 HZ1 LYS 64 3HZ LYS 64 1.448 0.087 -11.112 497 HZ2 LYS 64 1HZ LYS 64 0.036 1.008 -10.965 498 HZ3 LYS 64 2HZ LYS 64 -0.056 -0.611 -11.445 499 H LEU 65 H LEU 65 -1.865 1.966 -3.457 500 HA LEU 65 HA LEU 65 -1.544 -0.700 -2.512 501 HB2 LEU 65 1HB LEU 65 -0.834 1.469 -1.379 502 HB3 LEU 65 2HB LEU 65 -2.518 1.632 -0.886 503 HG LEU 65 HG LEU 65 -0.906 0.672 0.822 504 HD11 LEU 65 1HD1 LEU 65 -2.826 -1.439 0.726 505 HD12 LEU 65 2HD1 LEU 65 -3.590 0.066 0.219 506 HD13 LEU 65 3HD1 LEU 65 -2.776 -0.027 1.781 507 HD21 LEU 65 3HD2 LEU 65 -1.211 -1.860 -0.769 508 HD22 LEU 65 1HD2 LEU 65 -0.191 -1.562 0.640 509 HD23 LEU 65 2HD2 LEU 65 0.205 -0.816 -0.909 510 H ILE 66 H ILE 66 -4.236 1.593 -2.018 511 HA ILE 66 HA ILE 66 -6.112 0.091 -0.853 512 HB ILE 66 HB ILE 66 -6.475 1.974 -3.173 513 HG12 ILE 66 1HG1 ILE 66 -7.340 2.334 -0.311 514 HG13 ILE 66 2HG1 ILE 66 -5.697 2.702 -0.825 515 HG21 ILE 66 1HG2 ILE 66 -8.623 0.642 -1.528 516 HG22 ILE 66 2HG2 ILE 66 -8.884 1.985 -2.639 517 HG23 ILE 66 3HG2 ILE 66 -8.333 0.427 -3.254 518 HD11 ILE 66 3HD1 ILE 66 -8.032 3.898 -2.252 519 HD12 ILE 66 1HD1 ILE 66 -7.447 4.589 -0.738 520 HD13 ILE 66 2HD1 ILE 66 -6.373 4.482 -2.134 521 H GLU 67 H GLU 67 -5.591 0.066 -4.381 522 HA GLU 67 HA GLU 67 -7.454 -1.864 -5.060 523 HB2 GLU 67 1HB GLU 67 -4.774 -1.218 -6.285 524 HB3 GLU 67 2HB GLU 67 -5.903 -2.355 -7.006 525 HG2 GLU 67 1HG GLU 67 -7.568 -0.331 -6.773 526 HG3 GLU 67 2HG GLU 67 -6.071 0.600 -6.775 527 H PHE 68 H PHE 68 -3.995 -2.376 -4.365 528 HA PHE 68 HA PHE 68 -3.792 -5.073 -4.627 529 HB2 PHE 68 1HB PHE 68 -1.835 -3.867 -4.050 530 HB3 PHE 68 2HB PHE 68 -2.561 -3.243 -2.573 531 HD1 PHE 68 HD1 PHE 68 -1.820 -6.555 -4.128 532 HD2 PHE 68 HD2 PHE 68 -1.833 -4.162 -0.609 533 HE1 PHE 68 HE1 PHE 68 -0.830 -8.419 -2.861 534 HE2 PHE 68 HE2 PHE 68 -0.843 -6.020 0.663 535 HZ PHE 68 HZ PHE 68 -0.338 -8.152 -0.462 536 H CYS 69 H CYS 69 -5.180 -3.327 -1.891 537 HA CYS 69 HA CYS 69 -5.587 -5.604 -0.251 538 HB2 CYS 69 1HB CYS 69 -7.020 -2.940 -0.236 539 HB3 CYS 69 2HB CYS 69 -7.082 -4.138 1.050 540 HG CYS 69 HG CYS 69 -4.010 -3.064 0.172 541 H GLU 70 H GLU 70 -7.750 -3.788 -2.411 542 HA GLU 70 HA GLU 70 -10.139 -4.988 -2.042 543 HB2 GLU 70 1HB GLU 70 -8.801 -4.248 -4.641 544 HB3 GLU 70 2HB GLU 70 -10.476 -4.780 -4.556 545 HG2 GLU 70 1HG GLU 70 -10.761 -2.890 -2.833 546 HG3 GLU 70 2HG GLU 70 -9.240 -2.279 -3.481 547 H GLU 71 H GLU 71 -7.509 -6.314 -4.033 548 HA GLU 71 HA GLU 71 -8.817 -8.638 -4.868 549 HB2 GLU 71 1HB GLU 71 -5.859 -8.381 -4.315 550 HB3 GLU 71 2HB GLU 71 -6.639 -9.500 -5.424 551 HG2 GLU 71 1HG GLU 71 -6.669 -6.508 -5.725 552 HG3 GLU 71 2HG GLU 71 -5.537 -7.588 -6.538 553 H VAL 72 H VAL 72 -6.766 -8.058 -2.030 554 HA VAL 72 HA VAL 72 -7.157 -10.747 -1.046 555 HB VAL 72 HB VAL 72 -5.924 -8.400 0.398 556 HG11 VAL 72 1HG1 VAL 72 -5.869 -9.824 2.107 557 HG12 VAL 72 2HG1 VAL 72 -6.433 -11.157 1.099 558 HG13 VAL 72 3HG1 VAL 72 -4.712 -10.777 1.179 559 HG21 VAL 72 3HG2 VAL 72 -3.808 -9.031 -0.445 560 HG22 VAL 72 1HG2 VAL 72 -4.445 -10.525 -1.132 561 HG23 VAL 72 2HG2 VAL 72 -4.884 -8.971 -1.841 562 HA PRO 73 HA PRO 73 -10.981 -9.679 0.981 563 HB2 PRO 73 1HB PRO 73 -11.374 -12.111 2.120 564 HB3 PRO 73 2HB PRO 73 -11.693 -11.788 0.411 565 HG2 PRO 73 1HG PRO 73 -9.309 -13.077 1.683 566 HG3 PRO 73 2HG PRO 73 -10.187 -13.549 0.216 567 HD2 PRO 73 1HD PRO 73 -7.850 -12.185 0.139 568 HD3 PRO 73 2HD PRO 73 -9.121 -11.971 -1.082 569 H ALA 74 H ALA 74 -7.976 -10.157 2.313 570 HA ALA 74 HA ALA 74 -8.946 -10.008 5.081 571 HB1 ALA 74 3HB ALA 74 -6.059 -10.305 4.383 572 HB2 ALA 74 1HB ALA 74 -6.940 -10.883 5.797 573 HB3 ALA 74 2HB ALA 74 -7.141 -11.691 4.242 574 H LEU 75 H LEU 75 -7.732 -8.091 2.572 575 HA LEU 75 HA LEU 75 -6.881 -6.000 4.462 576 HB2 LEU 75 1HB LEU 75 -6.206 -6.381 1.549 577 HB3 LEU 75 2HB LEU 75 -5.722 -4.988 2.514 578 HG LEU 75 HG LEU 75 -4.845 -7.841 2.956 579 HD11 LEU 75 1HD1 LEU 75 -2.781 -5.899 2.427 580 HD12 LEU 75 2HD1 LEU 75 -3.944 -5.971 1.104 581 HD13 LEU 75 3HD1 LEU 75 -3.114 -7.436 1.628 582 HD21 LEU 75 3HD2 LEU 75 -3.248 -6.743 4.559 583 HD22 LEU 75 1HD2 LEU 75 -4.935 -6.771 5.072 584 HD23 LEU 75 2HD2 LEU 75 -4.235 -5.287 4.428 585 H ARG 76 H ARG 76 -9.347 -6.929 2.379 586 HA ARG 76 HA ARG 76 -10.203 -4.613 1.150 587 HB2 ARG 76 1HB ARG 76 -11.576 -7.045 2.185 588 HB3 ARG 76 2HB ARG 76 -12.576 -5.670 1.734 589 HG2 ARG 76 1HG ARG 76 -11.583 -5.692 -0.506 590 HG3 ARG 76 2HG ARG 76 -10.607 -7.089 -0.048 591 HD2 ARG 76 1HD ARG 76 -12.483 -7.923 -1.235 592 HD3 ARG 76 2HD ARG 76 -12.756 -8.287 0.468 593 HE ARG 76 HE ARG 76 -13.997 -5.882 0.048 594 HH11 ARG 76 1HH1 ARG 76 -14.216 -9.071 -1.330 595 HH12 ARG 76 2HH1 ARG 76 -15.895 -8.927 -1.726 596 HH21 ARG 76 1HH2 ARG 76 -16.210 -5.679 -0.468 597 HH22 ARG 76 2HH2 ARG 76 -17.029 -6.997 -1.237 598 H LYS 77 H LYS 77 -11.000 -5.750 4.426 599 HA LYS 77 HA LYS 77 -12.698 -3.718 5.210 600 HB2 LYS 77 1HB LYS 77 -11.947 -5.856 6.463 601 HB3 LYS 77 2HB LYS 77 -10.647 -4.852 7.092 602 HG2 LYS 77 1HG LYS 77 -12.112 -3.481 8.274 603 HG3 LYS 77 2HG LYS 77 -13.510 -4.006 7.332 604 HD2 LYS 77 1HD LYS 77 -13.846 -5.193 9.265 605 HD3 LYS 77 2HD LYS 77 -12.890 -6.356 8.345 606 HE2 LYS 77 1HE LYS 77 -10.853 -5.343 9.481 607 HE3 LYS 77 2HE LYS 77 -11.987 -4.536 10.563 608 HZ1 LYS 77 3HZ LYS 77 -12.644 -7.269 10.385 609 HZ2 LYS 77 1HZ LYS 77 -12.160 -6.384 11.743 610 HZ3 LYS 77 2HZ LYS 77 -11.001 -7.125 10.760 611 H ARG 78 H ARG 78 -9.230 -3.683 4.864 612 HA ARG 78 HA ARG 78 -8.929 -1.153 6.239 613 HB2 ARG 78 1HB ARG 78 -7.213 -3.107 6.090 614 HB3 ARG 78 2HB ARG 78 -6.814 -2.413 4.524 615 HG2 ARG 78 1HG ARG 78 -5.268 -1.468 5.983 616 HG3 ARG 78 2HG ARG 78 -6.492 -0.212 5.783 617 HD2 ARG 78 1HD ARG 78 -5.971 -0.334 8.102 618 HD3 ARG 78 2HD ARG 78 -7.565 -1.053 7.885 619 HE ARG 78 HE ARG 78 -5.832 -3.160 7.749 620 HH11 ARG 78 1HH1 ARG 78 -6.496 -0.652 10.070 621 HH12 ARG 78 2HH1 ARG 78 -6.058 -1.621 11.438 622 HH21 ARG 78 1HH2 ARG 78 -5.253 -4.447 9.542 623 HH22 ARG 78 2HH2 ARG 78 -5.351 -3.780 11.136 624 H ALA 79 H ALA 79 -8.870 -2.359 2.917 625 HA ALA 79 HA ALA 79 -8.015 -0.178 1.513 626 HB1 ALA 79 3HB ALA 79 -9.386 -2.550 0.914 627 HB2 ALA 79 1HB ALA 79 -10.323 -1.245 0.185 628 HB3 ALA 79 2HB ALA 79 -8.616 -1.435 -0.214 629 H GLU 80 H GLU 80 -11.418 -0.809 2.392 630 HA GLU 80 HA GLU 80 -12.514 1.545 1.436 631 HB2 GLU 80 1HB GLU 80 -14.395 1.115 2.833 632 HB3 GLU 80 2HB GLU 80 -13.759 -0.448 2.338 633 HG2 GLU 80 1HG GLU 80 -14.088 -0.854 4.545 634 HG3 GLU 80 2HG GLU 80 -12.435 -0.245 4.606 635 H ILE 81 H ILE 81 -10.897 0.919 4.501 636 HA ILE 81 HA ILE 81 -11.518 3.378 5.742 637 HB ILE 81 HB ILE 81 -9.219 1.476 6.184 638 HG12 ILE 81 1HG1 ILE 81 -11.643 1.991 7.909 639 HG13 ILE 81 2HG1 ILE 81 -11.598 0.739 6.672 640 HG21 ILE 81 1HG2 ILE 81 -9.058 2.709 8.412 641 HG22 ILE 81 2HG2 ILE 81 -8.403 3.520 6.990 642 HG23 ILE 81 3HG2 ILE 81 -9.977 3.995 7.629 643 HD11 ILE 81 3HD1 ILE 81 -9.324 0.246 8.120 644 HD12 ILE 81 1HD1 ILE 81 -10.476 0.762 9.350 645 HD13 ILE 81 2HD1 ILE 81 -10.865 -0.594 8.291 646 H LEU 82 H LEU 82 -8.848 2.351 3.673 647 HA LEU 82 HA LEU 82 -7.281 4.683 3.957 648 HB2 LEU 82 1HB LEU 82 -7.429 2.745 1.653 649 HB3 LEU 82 2HB LEU 82 -6.155 3.935 1.910 650 HG LEU 82 HG LEU 82 -6.686 1.856 3.993 651 HD11 LEU 82 1HD1 LEU 82 -5.595 0.183 2.903 652 HD12 LEU 82 2HD1 LEU 82 -4.675 1.290 1.886 653 HD13 LEU 82 3HD1 LEU 82 -6.369 0.960 1.522 654 HD21 LEU 82 3HD2 LEU 82 -4.983 3.968 3.876 655 HD22 LEU 82 1HD2 LEU 82 -3.965 2.668 3.255 656 HD23 LEU 82 2HD2 LEU 82 -4.716 2.517 4.844 657 H LYS 83 H LYS 83 -10.213 4.112 2.341 658 HA LYS 83 HA LYS 83 -9.848 6.280 0.430 659 HB2 LYS 83 1HB LYS 83 -12.189 4.442 0.956 660 HB3 LYS 83 2HB LYS 83 -12.158 5.680 -0.294 661 HG2 LYS 83 1HG LYS 83 -10.492 4.552 -1.516 662 HG3 LYS 83 2HG LYS 83 -10.122 3.477 -0.165 663 HD2 LYS 83 1HD LYS 83 -12.201 2.335 -0.406 664 HD3 LYS 83 2HD LYS 83 -12.793 3.533 -1.558 665 HE2 LYS 83 1HE LYS 83 -10.692 2.810 -2.936 666 HE3 LYS 83 2HE LYS 83 -10.778 1.360 -1.937 667 HZ1 LYS 83 3HZ LYS 83 -12.204 1.859 -4.228 668 HZ2 LYS 83 1HZ LYS 83 -13.332 2.054 -2.981 669 HZ3 LYS 83 2HZ LYS 83 -12.474 0.604 -3.126 670 H LYS 84 H LYS 84 -11.592 5.561 3.394 671 HA LYS 84 HA LYS 84 -13.338 7.725 3.470 672 HB2 LYS 84 1HB LYS 84 -13.512 5.920 5.068 673 HB3 LYS 84 2HB LYS 84 -11.926 6.296 5.727 674 HG2 LYS 84 1HG LYS 84 -12.684 8.107 6.895 675 HG3 LYS 84 2HG LYS 84 -14.017 8.408 5.778 676 HD2 LYS 84 1HD LYS 84 -15.057 6.274 6.633 677 HD3 LYS 84 2HD LYS 84 -13.819 6.270 7.891 678 HE2 LYS 84 1HE LYS 84 -15.767 7.280 8.814 679 HE3 LYS 84 2HE LYS 84 -14.596 8.566 8.530 680 HZ1 LYS 84 3HZ LYS 84 -16.531 7.984 6.414 681 HZ2 LYS 84 1HZ LYS 84 -15.838 9.459 6.868 682 HZ3 LYS 84 2HZ LYS 84 -17.090 8.795 7.789 683 H GLU 85 H GLU 85 -10.037 7.487 4.786 684 HA GLU 85 HA GLU 85 -9.977 10.245 5.561 685 HB2 GLU 85 1HB GLU 85 -7.585 9.812 6.038 686 HB3 GLU 85 2HB GLU 85 -8.655 8.641 6.797 687 HG2 GLU 85 1HG GLU 85 -8.139 7.007 5.100 688 HG3 GLU 85 2HG GLU 85 -7.154 8.182 4.229 689 H ARG 86 H ARG 86 -9.038 8.408 2.750 690 HA ARG 86 HA ARG 86 -7.218 9.999 1.487 691 HB2 ARG 86 1HB ARG 86 -7.863 7.975 0.433 692 HB3 ARG 86 2HB ARG 86 -9.551 8.461 0.365 693 HG2 ARG 86 1HG ARG 86 -8.986 10.187 -1.274 694 HG3 ARG 86 2HG ARG 86 -7.296 9.683 -1.212 695 HD2 ARG 86 1HD ARG 86 -7.986 8.496 -3.036 696 HD3 ARG 86 2HD ARG 86 -8.343 7.326 -1.766 697 HE ARG 86 HE ARG 86 -10.535 7.493 -2.347 698 HH11 ARG 86 1HH1 ARG 86 -8.925 10.427 -3.307 699 HH12 ARG 86 2HH1 ARG 86 -10.332 11.110 -4.052 700 HH21 ARG 86 1HH2 ARG 86 -12.395 8.381 -3.325 701 HH22 ARG 86 2HH2 ARG 86 -12.305 9.946 -4.060 702 H SER 87 H SER 87 -10.755 10.386 1.346 703 HA SER 87 HA SER 87 -11.145 12.428 -0.329 704 HB2 SER 87 1HB SER 87 -12.883 13.319 1.289 705 HB3 SER 87 2HB SER 87 -13.009 11.600 0.915 706 HG SER 87 HG SER 87 -11.450 12.325 3.107 707 H GLU 88 H GLU 88 -10.866 14.625 -0.453 708 HA GLU 88 HA GLU 88 -8.834 15.730 1.323 709 HB2 GLU 88 1HB GLU 88 -9.011 17.669 -0.405 710 HB3 GLU 88 2HB GLU 88 -8.228 16.165 -0.871 711 HG2 GLU 88 1HG GLU 88 -10.061 15.476 -2.154 712 HG3 GLU 88 2HG GLU 88 -11.129 16.673 -1.423 713 H SER 89 H SER 89 -12.119 16.418 0.204 714 HA SER 89 HA SER 89 -12.372 18.379 2.391 715 HB2 SER 89 1HB SER 89 -13.481 18.360 -0.395 716 HB3 SER 89 2HB SER 89 -14.358 19.198 0.884 717 HG SER 89 HG SER 89 -12.979 20.677 0.008 718 H GLY 90 H GLY 90 -13.566 15.487 0.965 719 HA2 GLY 90 1HA GLY 90 -14.809 14.157 2.743 720 HA3 GLY 90 2HA GLY 90 -15.908 15.529 2.762 721 HA PRO 91 HA PRO 91 -17.685 12.448 -0.163 722 HB2 PRO 91 1HB PRO 91 -20.251 12.866 0.617 723 HB3 PRO 91 2HB PRO 91 -19.166 11.741 1.444 724 HG2 PRO 91 1HG PRO 91 -19.907 14.546 2.181 725 HG3 PRO 91 2HG PRO 91 -19.755 13.120 3.222 726 HD2 PRO 91 1HD PRO 91 -17.818 15.002 3.039 727 HD3 PRO 91 2HD PRO 91 -17.459 13.289 3.332 728 H SER 92 H SER 92 -17.576 15.737 0.126 729 HA SER 92 HA SER 92 -19.532 16.972 -1.201 730 HB2 SER 92 1HB SER 92 -16.737 17.408 -2.215 731 HB3 SER 92 2HB SER 92 -18.003 18.596 -1.911 732 HG SER 92 HG SER 92 -16.334 17.268 -0.073 733 H SER 93 H SER 93 -20.463 17.039 -3.173 734 HA SER 93 HA SER 93 -20.304 14.875 -4.907 735 HB2 SER 93 1HB SER 93 -22.066 16.838 -4.668 736 HB3 SER 93 2HB SER 93 -21.131 17.537 -5.989 737 HG SER 93 HG SER 93 -21.440 15.240 -6.883 738 H GLY 94 H GLY 94 -19.569 14.762 -7.125 739 HA2 GLY 94 1HA GLY 94 -18.163 16.252 -8.741 740 HA3 GLY 94 2HA GLY 94 -16.987 16.121 -7.442 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -6.303 8.533 29.046 2 HA2 GLY 1 1HA GLY 1 -8.389 8.949 27.508 3 HA3 GLY 1 2HA GLY 1 -7.684 10.311 28.364 4 H SER 2 H SER 2 -9.121 10.252 25.814 5 HA SER 2 HA SER 2 -9.019 11.213 23.754 6 HB2 SER 2 1HB SER 2 -8.081 13.108 25.035 7 HB3 SER 2 2HB SER 2 -6.463 12.442 24.819 8 HG SER 2 HG SER 2 -6.427 13.442 22.985 9 H SER 3 H SER 3 -8.100 8.618 23.875 10 HA SER 3 HA SER 3 -6.618 7.089 22.969 11 HB2 SER 3 1HB SER 3 -8.271 8.027 21.158 12 HB3 SER 3 2HB SER 3 -6.811 8.737 20.472 13 HG SER 3 HG SER 3 -6.190 6.828 19.837 14 H GLY 4 H GLY 4 -5.142 9.011 24.342 15 HA2 GLY 4 1HA GLY 4 -3.066 10.011 24.458 16 HA3 GLY 4 2HA GLY 4 -2.571 8.603 23.531 17 H SER 5 H SER 5 -1.581 9.017 21.679 18 HA SER 5 HA SER 5 -1.969 11.662 20.454 19 HB2 SER 5 1HB SER 5 0.348 10.981 21.209 20 HB3 SER 5 2HB SER 5 0.314 9.746 19.950 21 HG SER 5 HG SER 5 -0.121 12.498 19.437 22 H SER 6 H SER 6 -1.923 11.782 18.098 23 HA SER 6 HA SER 6 -3.031 9.358 16.839 24 HB2 SER 6 1HB SER 6 -3.772 12.230 16.229 25 HB3 SER 6 2HB SER 6 -4.455 10.795 15.466 26 HG SER 6 HG SER 6 -4.563 10.939 18.245 27 H GLY 7 H GLY 7 -0.799 8.886 16.248 28 HA2 GLY 7 1HA GLY 7 0.462 10.678 14.332 29 HA3 GLY 7 2HA GLY 7 1.141 9.188 14.971 30 H ILE 8 H ILE 8 -1.929 9.834 13.296 31 HA ILE 8 HA ILE 8 -1.607 7.506 11.657 32 HB ILE 8 HB ILE 8 -3.638 9.725 11.390 33 HG12 ILE 8 1HG1 ILE 8 -3.487 8.438 13.628 34 HG13 ILE 8 2HG1 ILE 8 -5.057 8.553 12.841 35 HG21 ILE 8 1HG2 ILE 8 -3.541 6.922 10.293 36 HG22 ILE 8 2HG2 ILE 8 -4.975 7.947 10.265 37 HG23 ILE 8 3HG2 ILE 8 -3.528 8.431 9.381 38 HD11 ILE 8 3HD1 ILE 8 -4.056 6.276 13.801 39 HD12 ILE 8 1HD1 ILE 8 -5.156 6.341 12.424 40 HD13 ILE 8 2HD1 ILE 8 -3.418 6.199 12.159 41 H VAL 9 H VAL 9 -0.840 7.341 9.637 42 HA VAL 9 HA VAL 9 -0.300 9.816 8.138 43 HB VAL 9 HB VAL 9 1.577 7.455 8.203 44 HG11 VAL 9 1HG1 VAL 9 2.446 10.148 7.359 45 HG12 VAL 9 2HG1 VAL 9 2.878 8.561 6.720 46 HG13 VAL 9 3HG1 VAL 9 1.341 9.303 6.274 47 HG21 VAL 9 3HG2 VAL 9 3.068 8.956 9.526 48 HG22 VAL 9 1HG2 VAL 9 1.706 10.061 9.710 49 HG23 VAL 9 2HG2 VAL 9 1.621 8.436 10.390 50 H LEU 10 H LEU 10 -0.707 9.750 5.980 51 HA LEU 10 HA LEU 10 -2.466 7.838 4.957 52 HB2 LEU 10 1HB LEU 10 -0.667 9.754 3.481 53 HB3 LEU 10 2HB LEU 10 -2.008 8.867 2.760 54 HG LEU 10 HG LEU 10 -2.484 10.717 5.066 55 HD11 LEU 10 1HD1 LEU 10 -1.629 11.451 2.371 56 HD12 LEU 10 2HD1 LEU 10 -1.693 12.414 3.846 57 HD13 LEU 10 3HD1 LEU 10 -3.146 12.199 2.871 58 HD21 LEU 10 3HD2 LEU 10 -4.637 10.960 3.620 59 HD22 LEU 10 1HD2 LEU 10 -4.406 9.525 4.620 60 HD23 LEU 10 2HD2 LEU 10 -4.088 9.452 2.886 61 H LEU 11 H LEU 11 0.909 7.711 5.334 62 HA LEU 11 HA LEU 11 1.297 5.731 3.234 63 HB2 LEU 11 1HB LEU 11 2.990 7.490 3.683 64 HB3 LEU 11 2HB LEU 11 3.259 6.775 5.272 65 HG LEU 11 HG LEU 11 3.759 4.625 3.780 66 HD11 LEU 11 1HD1 LEU 11 3.423 6.565 1.824 67 HD12 LEU 11 2HD1 LEU 11 4.168 4.979 1.625 68 HD13 LEU 11 3HD1 LEU 11 5.172 6.386 1.976 69 HD21 LEU 11 3HD2 LEU 11 5.359 5.343 5.322 70 HD22 LEU 11 1HD2 LEU 11 5.556 6.906 4.530 71 HD23 LEU 11 2HD2 LEU 11 6.187 5.446 3.768 72 H ARG 12 H ARG 12 0.795 5.913 6.654 73 HA ARG 12 HA ARG 12 1.890 3.677 7.710 74 HB2 ARG 12 1HB ARG 12 0.213 3.689 9.352 75 HB3 ARG 12 2HB ARG 12 0.283 5.354 8.793 76 HG2 ARG 12 1HG ARG 12 -1.635 4.752 7.239 77 HG3 ARG 12 2HG ARG 12 -1.791 3.274 8.191 78 HD2 ARG 12 1HD ARG 12 -1.874 4.835 10.227 79 HD3 ARG 12 2HD ARG 12 -2.175 6.120 9.058 80 HE ARG 12 HE ARG 12 -4.304 5.327 8.788 81 HH11 ARG 12 1HH1 ARG 12 -2.377 2.902 10.375 82 HH12 ARG 12 2HH1 ARG 12 -3.723 1.865 10.710 83 HH21 ARG 12 1HH2 ARG 12 -6.085 3.970 9.223 84 HH22 ARG 12 2HH2 ARG 12 -5.832 2.473 10.054 85 H GLY 13 H GLY 13 -0.540 3.795 5.257 86 HA2 GLY 13 1HA GLY 13 -1.861 1.406 5.448 87 HA3 GLY 13 2HA GLY 13 -1.374 2.119 3.917 88 H LEU 14 H LEU 14 1.436 1.911 4.281 89 HA LEU 14 HA LEU 14 1.875 -0.692 3.312 90 HB2 LEU 14 1HB LEU 14 3.872 1.247 4.469 91 HB3 LEU 14 2HB LEU 14 4.252 -0.157 3.473 92 HG LEU 14 HG LEU 14 2.603 2.168 2.496 93 HD11 LEU 14 1HD1 LEU 14 4.889 2.873 3.160 94 HD12 LEU 14 2HD1 LEU 14 4.573 3.026 1.433 95 HD13 LEU 14 3HD1 LEU 14 5.541 1.682 2.034 96 HD21 LEU 14 3HD2 LEU 14 2.382 -0.034 1.344 97 HD22 LEU 14 1HD2 LEU 14 4.105 0.046 0.973 98 HD23 LEU 14 2HD2 LEU 14 3.006 1.261 0.321 99 H GLU 15 H GLU 15 3.004 0.748 6.379 100 HA GLU 15 HA GLU 15 3.946 -1.615 7.519 101 HB2 GLU 15 1HB GLU 15 2.861 0.888 8.815 102 HB3 GLU 15 2HB GLU 15 3.634 -0.411 9.712 103 HG2 GLU 15 1HG GLU 15 5.031 0.924 7.429 104 HG3 GLU 15 2HG GLU 15 5.031 1.635 9.041 105 H CYS 16 H CYS 16 0.715 -0.281 7.372 106 HA CYS 16 HA CYS 16 -0.610 -1.642 9.345 107 HB2 CYS 16 1HB CYS 16 -1.646 0.010 7.807 108 HB3 CYS 16 2HB CYS 16 -1.633 -1.202 6.532 109 HG CYS 16 HG CYS 16 -3.941 -0.629 8.734 110 H ILE 17 H ILE 17 -0.247 -2.810 5.992 111 HA ILE 17 HA ILE 17 -1.225 -5.407 6.570 112 HB ILE 17 HB ILE 17 -0.239 -6.020 4.349 113 HG12 ILE 17 1HG1 ILE 17 0.471 -3.088 4.180 114 HG13 ILE 17 2HG1 ILE 17 1.646 -4.351 4.524 115 HG21 ILE 17 1HG2 ILE 17 -1.778 -3.480 4.030 116 HG22 ILE 17 2HG2 ILE 17 -1.943 -5.008 3.166 117 HG23 ILE 17 3HG2 ILE 17 -2.521 -4.866 4.826 118 HD11 ILE 17 3HD1 ILE 17 0.877 -5.411 2.336 119 HD12 ILE 17 1HD1 ILE 17 0.113 -3.858 2.002 120 HD13 ILE 17 2HD1 ILE 17 1.858 -3.949 2.242 121 H ASN 18 H ASN 18 -0.219 -7.219 7.221 122 HA ASN 18 HA ASN 18 2.248 -7.131 8.514 123 HB2 ASN 18 1HB ASN 18 0.498 -9.368 7.547 124 HB3 ASN 18 2HB ASN 18 2.085 -9.725 8.223 125 HD21 ASN 18 1HD2 ASN 18 2.515 -9.109 10.395 126 HD22 ASN 18 2HD2 ASN 18 1.221 -8.931 11.527 127 H LYS 19 H LYS 19 4.293 -7.950 7.992 128 HA LYS 19 HA LYS 19 5.432 -7.296 5.629 129 HB2 LYS 19 1HB LYS 19 6.128 -9.447 7.603 130 HB3 LYS 19 2HB LYS 19 7.095 -9.230 6.150 131 HG2 LYS 19 1HG LYS 19 6.527 -6.897 7.924 132 HG3 LYS 19 2HG LYS 19 7.789 -8.054 8.353 133 HD2 LYS 19 1HD LYS 19 8.691 -7.692 5.997 134 HD3 LYS 19 2HD LYS 19 7.605 -6.303 5.914 135 HE2 LYS 19 1HE LYS 19 8.714 -5.211 7.695 136 HE3 LYS 19 2HE LYS 19 9.593 -6.674 8.141 137 HZ1 LYS 19 3HZ LYS 19 10.625 -6.492 5.840 138 HZ2 LYS 19 1HZ LYS 19 11.134 -5.374 7.003 139 HZ3 LYS 19 2HZ LYS 19 10.029 -4.910 5.810 140 H HIS 20 H HIS 20 3.656 -10.233 6.327 141 HA HIS 20 HA HIS 20 4.371 -11.837 4.195 142 HB2 HIS 20 1HB HIS 20 2.963 -12.844 5.762 143 HB3 HIS 20 2HB HIS 20 1.811 -11.513 5.728 144 HD1 HIS 20 HD1 HIS 20 3.090 -14.037 3.168 145 HD2 HIS 20 HD2 HIS 20 -0.439 -12.255 4.447 146 HE1 HIS 20 HE1 HIS 20 1.275 -15.038 1.744 147 HE2 HIS 20 HE2 HIS 20 -0.838 -13.883 2.478 148 H TYR 21 H TYR 21 1.679 -9.500 4.293 149 HA TYR 21 HA TYR 21 1.093 -9.779 1.518 150 HB2 TYR 21 1HB TYR 21 0.231 -7.847 3.655 151 HB3 TYR 21 2HB TYR 21 -0.231 -7.604 1.974 152 HD1 TYR 21 HD1 TYR 21 -1.123 -9.943 0.865 153 HD2 TYR 21 HD2 TYR 21 -1.367 -8.847 4.968 154 HE1 TYR 21 HE1 TYR 21 -3.018 -11.485 1.157 155 HE2 TYR 21 HE2 TYR 21 -3.261 -10.386 5.273 156 HH TYR 21 HH TYR 21 -5.122 -11.385 3.514 157 H PHE 22 H PHE 22 2.710 -7.257 3.433 158 HA PHE 22 HA PHE 22 3.237 -5.329 1.633 159 HB2 PHE 22 1HB PHE 22 4.084 -5.193 3.896 160 HB3 PHE 22 2HB PHE 22 5.199 -6.523 3.599 161 HD1 PHE 22 HD1 PHE 22 4.420 -3.510 1.558 162 HD2 PHE 22 HD2 PHE 22 7.328 -5.658 3.803 163 HE1 PHE 22 HE1 PHE 22 6.144 -1.902 0.856 164 HE2 PHE 22 HE2 PHE 22 9.057 -4.053 3.107 165 HZ PHE 22 HZ PHE 22 8.466 -2.170 1.633 166 H SER 23 H SER 23 5.102 -8.340 1.925 167 HA SER 23 HA SER 23 7.029 -7.919 0.015 168 HB2 SER 23 1HB SER 23 6.761 -9.941 1.523 169 HB3 SER 23 2HB SER 23 5.598 -10.558 0.350 170 HG SER 23 HG SER 23 7.400 -11.383 -0.437 171 H LEU 24 H LEU 24 3.753 -9.197 -0.492 172 HA LEU 24 HA LEU 24 3.903 -9.679 -3.221 173 HB2 LEU 24 1HB LEU 24 1.651 -8.923 -1.401 174 HB3 LEU 24 2HB LEU 24 1.381 -9.106 -3.133 175 HG LEU 24 HG LEU 24 2.533 -11.456 -2.680 176 HD11 LEU 24 1HD1 LEU 24 1.003 -11.554 -0.219 177 HD12 LEU 24 2HD1 LEU 24 2.386 -10.468 -0.102 178 HD13 LEU 24 3HD1 LEU 24 2.624 -12.152 -0.569 179 HD21 LEU 24 3HD2 LEU 24 -0.347 -10.941 -1.956 180 HD22 LEU 24 1HD2 LEU 24 0.349 -12.422 -2.613 181 HD23 LEU 24 2HD2 LEU 24 0.267 -10.969 -3.609 182 H PHE 25 H PHE 25 2.693 -6.739 -1.605 183 HA PHE 25 HA PHE 25 2.080 -5.170 -3.731 184 HB2 PHE 25 1HB PHE 25 2.009 -4.591 -1.238 185 HB3 PHE 25 2HB PHE 25 3.682 -4.076 -1.424 186 HD1 PHE 25 HD1 PHE 25 0.681 -3.651 -3.595 187 HD2 PHE 25 HD2 PHE 25 3.760 -1.782 -1.326 188 HE1 PHE 25 HE1 PHE 25 -0.088 -1.447 -4.374 189 HE2 PHE 25 HE2 PHE 25 2.995 0.425 -2.100 190 HZ PHE 25 HZ PHE 25 1.068 0.594 -3.625 191 H LYS 26 H LYS 26 5.329 -5.651 -2.389 192 HA LYS 26 HA LYS 26 6.707 -3.908 -4.085 193 HB2 LYS 26 1HB LYS 26 7.441 -6.260 -2.419 194 HB3 LYS 26 2HB LYS 26 8.602 -5.735 -3.630 195 HG2 LYS 26 1HG LYS 26 8.549 -3.471 -2.648 196 HG3 LYS 26 2HG LYS 26 7.468 -4.074 -1.390 197 HD2 LYS 26 1HD LYS 26 10.185 -5.255 -1.931 198 HD3 LYS 26 2HD LYS 26 9.916 -3.948 -0.775 199 HE2 LYS 26 1HE LYS 26 8.590 -5.306 0.611 200 HE3 LYS 26 2HE LYS 26 8.374 -6.523 -0.647 201 HZ1 LYS 26 3HZ LYS 26 9.985 -7.556 0.514 202 HZ2 LYS 26 1HZ LYS 26 10.590 -6.129 1.191 203 HZ3 LYS 26 2HZ LYS 26 11.014 -6.562 -0.388 204 H SER 27 H SER 27 5.859 -7.319 -4.479 205 HA SER 27 HA SER 27 7.286 -7.790 -6.849 206 HB2 SER 27 1HB SER 27 6.305 -9.581 -5.447 207 HB3 SER 27 2HB SER 27 4.693 -9.076 -5.956 208 HG SER 27 HG SER 27 5.666 -10.864 -7.162 209 H LEU 28 H LEU 28 4.128 -6.383 -6.258 210 HA LEU 28 HA LEU 28 3.333 -6.383 -9.012 211 HB2 LEU 28 1HB LEU 28 2.226 -4.666 -6.805 212 HB3 LEU 28 2HB LEU 28 1.429 -5.146 -8.302 213 HG LEU 28 HG LEU 28 2.197 -7.122 -6.165 214 HD11 LEU 28 1HD1 LEU 28 0.432 -5.116 -5.712 215 HD12 LEU 28 2HD1 LEU 28 0.339 -6.716 -4.975 216 HD13 LEU 28 3HD1 LEU 28 -0.623 -6.348 -6.406 217 HD21 LEU 28 3HD2 LEU 28 1.572 -8.567 -7.735 218 HD22 LEU 28 1HD2 LEU 28 1.022 -7.270 -8.796 219 HD23 LEU 28 2HD2 LEU 28 -0.067 -7.931 -7.576 220 H LEU 29 H LEU 29 4.623 -3.963 -6.766 221 HA LEU 29 HA LEU 29 4.616 -1.860 -8.708 222 HB2 LEU 29 1HB LEU 29 5.593 -2.215 -5.926 223 HB3 LEU 29 2HB LEU 29 6.304 -0.918 -6.884 224 HG LEU 29 HG LEU 29 4.556 0.035 -5.596 225 HD11 LEU 29 1HD1 LEU 29 4.736 0.549 -8.109 226 HD12 LEU 29 2HD1 LEU 29 3.293 1.077 -7.246 227 HD13 LEU 29 3HD1 LEU 29 3.236 -0.368 -8.254 228 HD21 LEU 29 3HD2 LEU 29 2.333 -0.800 -5.471 229 HD22 LEU 29 1HD2 LEU 29 3.414 -2.155 -5.148 230 HD23 LEU 29 2HD2 LEU 29 2.644 -1.999 -6.727 231 H ALA 30 H ALA 30 6.784 -4.400 -7.845 232 HA ALA 30 HA ALA 30 9.284 -3.640 -8.388 233 HB1 ALA 30 3HB ALA 30 8.200 -6.015 -9.861 234 HB2 ALA 30 1HB ALA 30 9.783 -5.802 -9.113 235 HB3 ALA 30 2HB ALA 30 8.350 -6.008 -8.104 236 H ARG 31 H ARG 31 6.801 -4.130 -10.873 237 HA ARG 31 HA ARG 31 8.431 -3.625 -13.104 238 HB2 ARG 31 1HB ARG 31 6.260 -3.094 -14.259 239 HB3 ARG 31 2HB ARG 31 6.308 -4.654 -13.449 240 HG2 ARG 31 1HG ARG 31 5.275 -3.195 -11.470 241 HG3 ARG 31 2HG ARG 31 4.703 -2.248 -12.846 242 HD2 ARG 31 1HD ARG 31 4.006 -4.604 -13.771 243 HD3 ARG 31 2HD ARG 31 4.064 -5.056 -12.067 244 HE ARG 31 HE ARG 31 2.563 -2.734 -12.228 245 HH11 ARG 31 1HH1 ARG 31 2.385 -6.003 -13.411 246 HH12 ARG 31 2HH1 ARG 31 0.653 -6.036 -13.439 247 HH21 ARG 31 1HH2 ARG 31 0.283 -2.765 -12.261 248 HH22 ARG 31 2HH2 ARG 31 -0.542 -4.194 -12.787 249 H ASP 32 H ASP 32 6.089 -1.438 -11.530 250 HA ASP 32 HA ASP 32 6.858 0.857 -12.957 251 HB2 ASP 32 1HB ASP 32 5.486 0.517 -10.288 252 HB3 ASP 32 2HB ASP 32 5.737 2.090 -11.042 253 H LEU 33 H LEU 33 7.550 0.084 -9.540 254 HA LEU 33 HA LEU 33 9.469 2.118 -9.214 255 HB2 LEU 33 1HB LEU 33 9.060 -0.456 -7.701 256 HB3 LEU 33 2HB LEU 33 10.146 0.835 -7.191 257 HG LEU 33 HG LEU 33 7.170 1.177 -7.529 258 HD11 LEU 33 1HD1 LEU 33 8.415 1.102 -4.846 259 HD12 LEU 33 2HD1 LEU 33 8.200 -0.439 -5.675 260 HD13 LEU 33 3HD1 LEU 33 6.807 0.599 -5.369 261 HD21 LEU 33 3HD2 LEU 33 8.844 2.905 -5.798 262 HD22 LEU 33 1HD2 LEU 33 7.425 3.301 -6.769 263 HD23 LEU 33 2HD2 LEU 33 8.998 3.112 -7.544 264 H ASN 34 H ASN 34 9.632 -0.829 -10.865 265 HA ASN 34 HA ASN 34 11.311 -1.968 -11.892 266 HB2 ASN 34 1HB ASN 34 12.711 0.676 -11.464 267 HB3 ASN 34 2HB ASN 34 13.401 -0.646 -12.400 268 HD21 ASN 34 1HD2 ASN 34 10.995 1.834 -12.283 269 HD22 ASN 34 2HD2 ASN 34 10.494 1.716 -13.932 270 H LEU 35 H LEU 35 10.990 -2.437 -9.148 271 HA LEU 35 HA LEU 35 13.432 -2.353 -7.718 272 HB2 LEU 35 1HB LEU 35 11.141 -4.271 -7.332 273 HB3 LEU 35 2HB LEU 35 12.373 -3.839 -6.147 274 HG LEU 35 HG LEU 35 10.474 -1.791 -7.251 275 HD11 LEU 35 1HD1 LEU 35 8.912 -3.254 -6.392 276 HD12 LEU 35 2HD1 LEU 35 9.276 -2.246 -4.991 277 HD13 LEU 35 3HD1 LEU 35 10.000 -3.848 -5.137 278 HD21 LEU 35 3HD2 LEU 35 12.634 -1.292 -5.910 279 HD22 LEU 35 1HD2 LEU 35 11.705 -1.866 -4.525 280 HD23 LEU 35 2HD2 LEU 35 11.133 -0.482 -5.457 281 H GLU 36 H GLU 36 14.279 -4.589 -6.808 282 HA GLU 36 HA GLU 36 15.028 -6.166 -9.170 283 HB2 GLU 36 1HB GLU 36 16.410 -5.505 -6.602 284 HB3 GLU 36 2HB GLU 36 16.833 -6.993 -7.438 285 HG2 GLU 36 1HG GLU 36 17.538 -5.802 -9.370 286 HG3 GLU 36 2HG GLU 36 16.884 -4.289 -8.747 287 H ARG 37 H ARG 37 13.678 -7.846 -9.377 288 HA ARG 37 HA ARG 37 12.197 -9.098 -7.409 289 HB2 ARG 37 1HB ARG 37 11.682 -10.737 -8.985 290 HB3 ARG 37 2HB ARG 37 12.113 -9.353 -9.982 291 HG2 ARG 37 1HG ARG 37 13.302 -10.960 -11.051 292 HG3 ARG 37 2HG ARG 37 14.507 -10.472 -9.858 293 HD2 ARG 37 1HD ARG 37 14.569 -12.745 -9.594 294 HD3 ARG 37 2HD ARG 37 13.338 -12.323 -8.404 295 HE ARG 37 HE ARG 37 12.049 -12.815 -10.827 296 HH11 ARG 37 1HH1 ARG 37 13.914 -14.540 -8.446 297 HH12 ARG 37 2HH1 ARG 37 13.137 -16.058 -8.749 298 HH21 ARG 37 1HH2 ARG 37 11.020 -14.808 -11.235 299 HH22 ARG 37 2HH2 ARG 37 11.492 -16.211 -10.337 300 H ASP 38 H ASP 38 15.558 -9.332 -8.046 301 HA ASP 38 HA ASP 38 15.797 -11.753 -6.400 302 HB2 ASP 38 1HB ASP 38 17.509 -10.477 -8.480 303 HB3 ASP 38 2HB ASP 38 18.312 -11.379 -7.198 304 H ASN 39 H ASN 39 16.053 -8.395 -6.230 305 HA ASN 39 HA ASN 39 17.478 -8.610 -3.669 306 HB2 ASN 39 1HB ASN 39 18.786 -7.615 -5.750 307 HB3 ASN 39 2HB ASN 39 17.879 -6.164 -5.335 308 HD21 ASN 39 1HD2 ASN 39 19.369 -8.702 -3.361 309 HD22 ASN 39 2HD2 ASN 39 20.364 -7.635 -2.435 310 H GLN 40 H GLN 40 14.635 -8.453 -4.326 311 HA GLN 40 HA GLN 40 13.833 -5.769 -3.575 312 HB2 GLN 40 1HB GLN 40 12.449 -8.228 -4.514 313 HB3 GLN 40 2HB GLN 40 11.518 -7.103 -3.534 314 HG2 GLN 40 1HG GLN 40 11.526 -5.482 -5.129 315 HG3 GLN 40 2HG GLN 40 13.068 -6.001 -5.808 316 HE21 GLN 40 1HE2 GLN 40 10.266 -8.020 -5.166 317 HE22 GLN 40 2HE2 GLN 40 9.944 -8.420 -6.816 318 H GLU 41 H GLU 41 14.715 -8.613 -1.999 319 HA GLU 41 HA GLU 41 12.975 -8.500 0.245 320 HB2 GLU 41 1HB GLU 41 14.511 -10.071 1.286 321 HB3 GLU 41 2HB GLU 41 14.214 -10.534 -0.383 322 HG2 GLU 41 1HG GLU 41 16.382 -9.193 -0.868 323 HG3 GLU 41 2HG GLU 41 16.682 -9.408 0.855 324 H GLN 42 H GLN 42 15.899 -6.854 -0.627 325 HA GLN 42 HA GLN 42 16.592 -5.996 2.009 326 HB2 GLN 42 1HB GLN 42 18.011 -4.308 0.690 327 HB3 GLN 42 2HB GLN 42 18.390 -6.016 0.510 328 HG2 GLN 42 1HG GLN 42 17.572 -6.112 -1.639 329 HG3 GLN 42 2HG GLN 42 16.527 -4.709 -1.416 330 HE21 GLN 42 1HE2 GLN 42 17.355 -3.838 -3.355 331 HE22 GLN 42 2HE2 GLN 42 18.908 -3.084 -3.402 332 H TYR 43 H TYR 43 14.752 -4.626 -0.666 333 HA TYR 43 HA TYR 43 14.453 -2.022 0.291 334 HB2 TYR 43 1HB TYR 43 12.641 -3.730 -1.416 335 HB3 TYR 43 2HB TYR 43 12.320 -2.031 -1.082 336 HD1 TYR 43 HD1 TYR 43 15.031 -0.880 -1.247 337 HD2 TYR 43 HD2 TYR 43 13.135 -3.800 -3.692 338 HE1 TYR 43 HE1 TYR 43 16.477 -0.235 -3.129 339 HE2 TYR 43 HE2 TYR 43 14.576 -3.163 -5.580 340 HH TYR 43 HH TYR 43 15.985 -0.621 -6.043 341 H THR 44 H THR 44 13.652 -1.379 2.166 342 HA THR 44 HA THR 44 11.730 -3.043 3.590 343 HB THR 44 HB THR 44 12.064 -1.421 5.456 344 HG1 THR 44 HG1 THR 44 13.396 0.276 5.210 345 HG21 THR 44 3HG2 THR 44 14.025 -3.225 4.322 346 HG22 THR 44 1HG2 THR 44 13.566 -2.981 6.007 347 HG23 THR 44 2HG2 THR 44 14.789 -1.948 5.268 348 H THR 45 H THR 45 10.008 -1.738 4.853 349 HA THR 45 HA THR 45 8.119 -0.766 3.081 350 HB THR 45 HB THR 45 7.110 0.350 5.195 351 HG1 THR 45 HG1 THR 45 8.052 -0.608 7.130 352 HG21 THR 45 3HG2 THR 45 6.836 -2.094 4.132 353 HG22 THR 45 1HG2 THR 45 6.010 -1.598 5.609 354 HG23 THR 45 2HG2 THR 45 7.495 -2.543 5.705 355 H ILE 46 H ILE 46 10.689 0.924 4.732 356 HA ILE 46 HA ILE 46 9.693 3.554 4.185 357 HB ILE 46 HB ILE 46 12.500 2.707 4.912 358 HG12 ILE 46 1HG1 ILE 46 11.595 3.720 7.186 359 HG13 ILE 46 2HG1 ILE 46 10.039 3.233 6.524 360 HG21 ILE 46 1HG2 ILE 46 12.631 4.882 4.040 361 HG22 ILE 46 2HG2 ILE 46 11.123 5.372 4.807 362 HG23 ILE 46 3HG2 ILE 46 12.563 5.099 5.789 363 HD11 ILE 46 3HD1 ILE 46 10.397 1.159 7.185 364 HD12 ILE 46 1HD1 ILE 46 11.866 1.079 6.214 365 HD13 ILE 46 2HD1 ILE 46 11.939 1.656 7.880 366 H GLN 47 H GLN 47 12.626 1.894 3.002 367 HA GLN 47 HA GLN 47 13.310 3.609 0.984 368 HB2 GLN 47 1HB GLN 47 13.503 0.593 0.909 369 HB3 GLN 47 2HB GLN 47 14.413 1.701 -0.109 370 HG2 GLN 47 1HG GLN 47 15.163 2.678 2.221 371 HG3 GLN 47 2HG GLN 47 14.746 1.054 2.767 372 HE21 GLN 47 1HE2 GLN 47 16.545 -0.060 2.991 373 HE22 GLN 47 2HE2 GLN 47 17.853 -0.120 1.864 374 H ILE 48 H ILE 48 10.839 1.108 0.939 375 HA ILE 48 HA ILE 48 10.289 1.324 -1.856 376 HB ILE 48 HB ILE 48 8.685 0.132 0.405 377 HG12 ILE 48 1HG1 ILE 48 10.853 -0.960 -0.239 378 HG13 ILE 48 2HG1 ILE 48 9.438 -1.988 -0.439 379 HG21 ILE 48 1HG2 ILE 48 8.128 0.199 -2.551 380 HG22 ILE 48 2HG2 ILE 48 7.393 -0.972 -1.457 381 HG23 ILE 48 3HG2 ILE 48 7.091 0.751 -1.235 382 HD11 ILE 48 3HD1 ILE 48 11.060 -0.618 -2.555 383 HD12 ILE 48 1HD1 ILE 48 10.761 -2.343 -2.339 384 HD13 ILE 48 2HD1 ILE 48 9.457 -1.280 -2.872 385 H ALA 49 H ALA 49 8.979 2.788 1.062 386 HA ALA 49 HA ALA 49 6.727 4.004 -0.156 387 HB1 ALA 49 3HB ALA 49 8.034 4.058 2.450 388 HB2 ALA 49 1HB ALA 49 7.309 5.602 1.997 389 HB3 ALA 49 2HB ALA 49 6.322 4.141 2.037 390 H ASN 50 H ASN 50 9.779 5.478 0.972 391 HA ASN 50 HA ASN 50 9.518 8.013 0.071 392 HB2 ASN 50 1HB ASN 50 11.970 6.253 -0.069 393 HB3 ASN 50 2HB ASN 50 12.005 7.991 -0.348 394 HD21 ASN 50 1HD2 ASN 50 11.650 5.468 1.991 395 HD22 ASN 50 2HD2 ASN 50 11.752 6.471 3.395 396 H MET 51 H MET 51 10.720 5.307 -1.911 397 HA MET 51 HA MET 51 11.113 6.667 -4.287 398 HB2 MET 51 1HB MET 51 10.339 3.827 -3.685 399 HB3 MET 51 2HB MET 51 10.506 4.382 -5.346 400 HG2 MET 51 1HG MET 51 12.831 5.238 -4.499 401 HG3 MET 51 2HG MET 51 12.581 4.024 -3.246 402 HE1 MET 51 3HE MET 51 13.355 0.768 -4.824 403 HE2 MET 51 1HE MET 51 13.908 1.882 -3.574 404 HE3 MET 51 2HE MET 51 12.194 1.493 -3.712 405 H MET 52 H MET 52 8.177 4.908 -3.282 406 HA MET 52 HA MET 52 6.599 5.554 -5.483 407 HB2 MET 52 1HB MET 52 5.918 4.907 -2.624 408 HB3 MET 52 2HB MET 52 4.667 5.243 -3.813 409 HG2 MET 52 1HG MET 52 5.650 3.408 -5.214 410 HG3 MET 52 2HG MET 52 6.668 3.004 -3.835 411 HE1 MET 52 3HE MET 52 3.252 3.633 -5.160 412 HE2 MET 52 1HE MET 52 3.177 1.891 -5.422 413 HE3 MET 52 2HE MET 52 2.145 2.644 -4.208 414 H GLU 53 H GLU 53 6.830 7.213 -2.340 415 HA GLU 53 HA GLU 53 5.003 9.208 -2.643 416 HB2 GLU 53 1HB GLU 53 7.638 9.046 -1.273 417 HB3 GLU 53 2HB GLU 53 6.917 10.641 -1.447 418 HG2 GLU 53 1HG GLU 53 5.454 8.303 -0.256 419 HG3 GLU 53 2HG GLU 53 6.421 9.427 0.698 420 H GLU 54 H GLU 54 7.963 8.807 -4.388 421 HA GLU 54 HA GLU 54 7.822 11.508 -5.493 422 HB2 GLU 54 1HB GLU 54 10.044 11.115 -5.131 423 HB3 GLU 54 2HB GLU 54 9.888 9.381 -5.371 424 HG2 GLU 54 1HG GLU 54 10.202 9.516 -7.616 425 HG3 GLU 54 2HG GLU 54 9.506 11.133 -7.729 426 H LYS 55 H LYS 55 7.872 8.135 -6.624 427 HA LYS 55 HA LYS 55 7.585 8.478 -9.320 428 HB2 LYS 55 1HB LYS 55 6.524 6.415 -7.426 429 HB3 LYS 55 2HB LYS 55 6.055 6.355 -9.120 430 HG2 LYS 55 1HG LYS 55 8.936 6.515 -8.324 431 HG3 LYS 55 2HG LYS 55 8.077 4.974 -8.353 432 HD2 LYS 55 1HD LYS 55 8.108 6.842 -10.710 433 HD3 LYS 55 2HD LYS 55 9.361 5.624 -10.456 434 HE2 LYS 55 1HE LYS 55 7.843 3.854 -10.692 435 HE3 LYS 55 2HE LYS 55 6.447 4.904 -10.453 436 HZ1 LYS 55 3HZ LYS 55 8.257 4.992 -12.806 437 HZ2 LYS 55 1HZ LYS 55 6.861 5.922 -12.582 438 HZ3 LYS 55 2HZ LYS 55 6.739 4.247 -12.778 439 H PHE 56 H PHE 56 4.822 8.028 -7.104 440 HA PHE 56 HA PHE 56 3.145 9.462 -9.049 441 HB2 PHE 56 1HB PHE 56 1.951 7.933 -6.782 442 HB3 PHE 56 2HB PHE 56 1.345 8.172 -8.418 443 HD1 PHE 56 HD2 PHE 56 2.148 6.782 -10.256 444 HD2 PHE 56 HD1 PHE 56 3.433 6.130 -6.250 445 HE1 PHE 56 HE2 PHE 56 2.982 4.555 -10.889 446 HE2 PHE 56 HE1 PHE 56 4.270 3.903 -6.878 447 HZ PHE 56 HZ PHE 56 4.043 3.112 -9.199 448 HA PRO 57 HA PRO 57 3.619 12.499 -5.631 449 HB2 PRO 57 1HB PRO 57 3.515 14.665 -7.264 450 HB3 PRO 57 2HB PRO 57 5.005 13.768 -6.952 451 HG2 PRO 57 1HG PRO 57 3.147 13.599 -9.293 452 HG3 PRO 57 2HG PRO 57 4.921 13.618 -9.272 453 HD2 PRO 57 1HD PRO 57 3.493 11.336 -9.559 454 HD3 PRO 57 2HD PRO 57 5.065 11.382 -8.734 455 H ALA 58 H ALA 58 1.181 11.466 -7.588 456 HA ALA 58 HA ALA 58 -0.695 13.613 -7.045 457 HB1 ALA 58 3HB ALA 58 -2.311 12.120 -8.239 458 HB2 ALA 58 1HB ALA 58 -0.898 12.589 -9.186 459 HB3 ALA 58 2HB ALA 58 -0.987 10.978 -8.473 460 H ASP 59 H ASP 59 -0.592 10.110 -6.367 461 HA ASP 59 HA ASP 59 -2.281 10.613 -4.008 462 HB2 ASP 59 1HB ASP 59 -2.537 7.982 -4.262 463 HB3 ASP 59 2HB ASP 59 -3.532 9.099 -5.193 464 H SER 60 H SER 60 0.842 9.916 -4.944 465 HA SER 60 HA SER 60 2.721 9.307 -3.816 466 HB2 SER 60 1HB SER 60 1.039 9.430 -1.306 467 HB3 SER 60 2HB SER 60 2.790 9.588 -1.428 468 HG SER 60 HG SER 60 0.793 11.401 -2.273 469 H GLY 61 H GLY 61 0.747 7.318 -4.759 470 HA2 GLY 61 1HA GLY 61 0.973 4.990 -4.874 471 HA3 GLY 61 2HA GLY 61 1.903 5.030 -3.384 472 H LEU 62 H LEU 62 -0.594 6.878 -2.601 473 HA LEU 62 HA LEU 62 -1.791 5.150 -0.832 474 HB2 LEU 62 1HB LEU 62 -2.223 7.429 -0.551 475 HB3 LEU 62 2HB LEU 62 -2.792 7.617 -2.209 476 HG LEU 62 HG LEU 62 -4.820 6.325 -1.617 477 HD11 LEU 62 1HD1 LEU 62 -5.026 5.224 0.300 478 HD12 LEU 62 2HD1 LEU 62 -4.598 6.653 1.238 479 HD13 LEU 62 3HD1 LEU 62 -3.332 5.593 0.621 480 HD21 LEU 62 3HD2 LEU 62 -4.989 8.701 -1.601 481 HD22 LEU 62 1HD2 LEU 62 -4.207 8.806 -0.023 482 HD23 LEU 62 2HD2 LEU 62 -5.819 8.103 -0.164 483 H GLY 63 H GLY 63 -3.214 6.151 -3.955 484 HA2 GLY 63 1HA GLY 63 -5.364 4.403 -3.967 485 HA3 GLY 63 2HA GLY 63 -4.582 5.024 -5.414 486 H LYS 64 H LYS 64 -2.237 3.879 -5.605 487 HA LYS 64 HA LYS 64 -2.644 1.360 -6.586 488 HB2 LYS 64 1HB LYS 64 -0.601 2.755 -6.922 489 HB3 LYS 64 2HB LYS 64 -0.075 2.306 -5.305 490 HG2 LYS 64 1HG LYS 64 1.084 0.792 -6.555 491 HG3 LYS 64 2HG LYS 64 -0.383 -0.132 -6.223 492 HD2 LYS 64 1HD LYS 64 -0.192 -0.450 -8.487 493 HD3 LYS 64 2HD LYS 64 -1.205 0.995 -8.453 494 HE2 LYS 64 1HE LYS 64 0.929 2.338 -8.622 495 HE3 LYS 64 2HE LYS 64 1.758 0.817 -8.957 496 HZ1 LYS 64 3HZ LYS 64 0.775 0.621 -10.990 497 HZ2 LYS 64 1HZ LYS 64 0.855 2.307 -10.885 498 HZ3 LYS 64 2HZ LYS 64 -0.599 1.508 -10.558 499 H LEU 65 H LEU 65 -1.748 2.254 -3.289 500 HA LEU 65 HA LEU 65 -1.388 -0.413 -2.368 501 HB2 LEU 65 1HB LEU 65 -0.371 1.469 -1.228 502 HB3 LEU 65 2HB LEU 65 -1.960 2.137 -0.865 503 HG LEU 65 HG LEU 65 -0.720 0.979 1.028 504 HD11 LEU 65 1HD1 LEU 65 -3.344 -0.355 0.639 505 HD12 LEU 65 2HD1 LEU 65 -3.302 1.407 0.660 506 HD13 LEU 65 3HD1 LEU 65 -2.700 0.495 2.044 507 HD21 LEU 65 3HD2 LEU 65 -0.230 -0.995 -0.665 508 HD22 LEU 65 1HD2 LEU 65 -1.769 -1.588 -0.037 509 HD23 LEU 65 2HD2 LEU 65 -0.425 -1.282 1.065 510 H ILE 66 H ILE 66 -4.083 1.885 -2.217 511 HA ILE 66 HA ILE 66 -5.846 0.483 -0.630 512 HB ILE 66 HB ILE 66 -6.333 2.289 -2.983 513 HG12 ILE 66 1HG1 ILE 66 -7.108 2.747 -0.115 514 HG13 ILE 66 2HG1 ILE 66 -5.457 3.037 -0.654 515 HG21 ILE 66 1HG2 ILE 66 -8.718 2.328 -2.325 516 HG22 ILE 66 2HG2 ILE 66 -8.200 0.766 -2.957 517 HG23 ILE 66 3HG2 ILE 66 -8.404 0.990 -1.220 518 HD11 ILE 66 3HD1 ILE 66 -7.858 4.311 -1.930 519 HD12 ILE 66 1HD1 ILE 66 -6.944 5.044 -0.614 520 HD13 ILE 66 2HD1 ILE 66 -6.160 4.725 -2.162 521 H GLU 67 H GLU 67 -5.651 0.332 -4.191 522 HA GLU 67 HA GLU 67 -7.552 -1.626 -4.623 523 HB2 GLU 67 1HB GLU 67 -4.969 -1.226 -6.143 524 HB3 GLU 67 2HB GLU 67 -6.374 -2.107 -6.726 525 HG2 GLU 67 1HG GLU 67 -6.738 0.713 -5.874 526 HG3 GLU 67 2HG GLU 67 -5.926 0.395 -7.405 527 H PHE 68 H PHE 68 -4.076 -2.049 -4.018 528 HA PHE 68 HA PHE 68 -3.901 -4.794 -4.256 529 HB2 PHE 68 1HB PHE 68 -1.904 -3.499 -3.974 530 HB3 PHE 68 2HB PHE 68 -2.440 -2.910 -2.404 531 HD1 PHE 68 HD1 PHE 68 -1.439 -5.988 -4.215 532 HD2 PHE 68 HD2 PHE 68 -1.865 -4.043 -0.453 533 HE1 PHE 68 HE1 PHE 68 -0.262 -7.852 -3.122 534 HE2 PHE 68 HE2 PHE 68 -0.688 -5.903 0.645 535 HZ PHE 68 HZ PHE 68 0.117 -7.811 -0.689 536 H CYS 69 H CYS 69 -5.083 -2.871 -1.564 537 HA CYS 69 HA CYS 69 -5.311 -5.097 0.230 538 HB2 CYS 69 1HB CYS 69 -6.329 -2.259 0.312 539 HB3 CYS 69 2HB CYS 69 -6.701 -3.428 1.572 540 HG CYS 69 HG CYS 69 -3.502 -2.585 0.712 541 H GLU 70 H GLU 70 -7.311 -3.617 -2.182 542 HA GLU 70 HA GLU 70 -9.813 -4.606 -1.282 543 HB2 GLU 70 1HB GLU 70 -8.802 -3.578 -3.918 544 HB3 GLU 70 2HB GLU 70 -10.421 -4.250 -3.773 545 HG2 GLU 70 1HG GLU 70 -9.569 -2.135 -1.864 546 HG3 GLU 70 2HG GLU 70 -9.990 -1.682 -3.514 547 H GLU 71 H GLU 71 -7.762 -5.683 -3.999 548 HA GLU 71 HA GLU 71 -9.060 -7.898 -4.829 549 HB2 GLU 71 1HB GLU 71 -7.068 -8.661 -5.742 550 HB3 GLU 71 2HB GLU 71 -6.742 -6.948 -5.519 551 HG2 GLU 71 1HG GLU 71 -5.494 -7.396 -3.512 552 HG3 GLU 71 2HG GLU 71 -5.912 -9.106 -3.593 553 H VAL 72 H VAL 72 -7.244 -7.573 -1.848 554 HA VAL 72 HA VAL 72 -7.671 -10.385 -1.184 555 HB VAL 72 HB VAL 72 -6.373 -8.405 0.655 556 HG11 VAL 72 1HG1 VAL 72 -6.941 -10.836 1.242 557 HG12 VAL 72 2HG1 VAL 72 -5.612 -11.264 0.161 558 HG13 VAL 72 3HG1 VAL 72 -5.308 -10.264 1.582 559 HG21 VAL 72 3HG2 VAL 72 -4.206 -8.924 -0.420 560 HG22 VAL 72 1HG2 VAL 72 -5.077 -9.751 -1.712 561 HG23 VAL 72 2HG2 VAL 72 -5.293 -8.016 -1.471 562 HA PRO 73 HA PRO 73 -11.366 -9.386 1.060 563 HB2 PRO 73 1HB PRO 73 -11.697 -11.820 2.217 564 HB3 PRO 73 2HB PRO 73 -12.072 -11.505 0.519 565 HG2 PRO 73 1HG PRO 73 -9.637 -12.765 1.718 566 HG3 PRO 73 2HG PRO 73 -10.556 -13.251 0.282 567 HD2 PRO 73 1HD PRO 73 -8.236 -11.862 0.127 568 HD3 PRO 73 2HD PRO 73 -9.548 -11.665 -1.054 569 H ALA 74 H ALA 74 -8.351 -10.346 2.407 570 HA ALA 74 HA ALA 74 -9.244 -9.979 5.158 571 HB1 ALA 74 3HB ALA 74 -7.564 -11.335 5.678 572 HB2 ALA 74 1HB ALA 74 -7.238 -11.511 3.953 573 HB3 ALA 74 2HB ALA 74 -6.397 -10.275 4.889 574 H LEU 75 H LEU 75 -7.925 -8.142 2.622 575 HA LEU 75 HA LEU 75 -6.927 -6.101 4.492 576 HB2 LEU 75 1HB LEU 75 -6.390 -6.535 1.561 577 HB3 LEU 75 2HB LEU 75 -5.840 -5.124 2.463 578 HG LEU 75 HG LEU 75 -4.983 -7.986 2.873 579 HD11 LEU 75 1HD1 LEU 75 -3.969 -6.922 0.942 580 HD12 LEU 75 2HD1 LEU 75 -2.781 -7.123 2.229 581 HD13 LEU 75 3HD1 LEU 75 -3.496 -5.539 1.928 582 HD21 LEU 75 3HD2 LEU 75 -5.003 -7.101 5.034 583 HD22 LEU 75 1HD2 LEU 75 -4.492 -5.505 4.486 584 HD23 LEU 75 2HD2 LEU 75 -3.347 -6.846 4.483 585 H ARG 76 H ARG 76 -9.441 -6.854 2.319 586 HA ARG 76 HA ARG 76 -10.238 -4.470 1.236 587 HB2 ARG 76 1HB ARG 76 -11.692 -6.879 2.205 588 HB3 ARG 76 2HB ARG 76 -12.647 -5.448 1.844 589 HG2 ARG 76 1HG ARG 76 -11.645 -5.405 -0.419 590 HG3 ARG 76 2HG ARG 76 -10.821 -6.919 -0.041 591 HD2 ARG 76 1HD ARG 76 -13.160 -7.818 0.516 592 HD3 ARG 76 2HD ARG 76 -13.761 -6.400 -0.343 593 HE ARG 76 HE ARG 76 -11.891 -7.685 -1.975 594 HH11 ARG 76 1HH1 ARG 76 -15.052 -8.244 -0.628 595 HH12 ARG 76 2HH1 ARG 76 -15.569 -9.263 -1.929 596 HH21 ARG 76 1HH2 ARG 76 -12.560 -9.026 -3.694 597 HH22 ARG 76 2HH2 ARG 76 -14.151 -9.708 -3.672 598 H LYS 77 H LYS 77 -11.188 -5.703 4.445 599 HA LYS 77 HA LYS 77 -12.732 -3.632 5.339 600 HB2 LYS 77 1HB LYS 77 -12.307 -5.707 6.606 601 HB3 LYS 77 2HB LYS 77 -10.681 -5.144 6.969 602 HG2 LYS 77 1HG LYS 77 -11.848 -4.637 8.896 603 HG3 LYS 77 2HG LYS 77 -11.862 -3.105 8.018 604 HD2 LYS 77 1HD LYS 77 -14.110 -3.650 7.161 605 HD3 LYS 77 2HD LYS 77 -14.093 -5.137 8.111 606 HE2 LYS 77 1HE LYS 77 -13.862 -2.346 9.235 607 HE3 LYS 77 2HE LYS 77 -15.336 -3.313 9.213 608 HZ1 LYS 77 3HZ LYS 77 -13.004 -4.570 10.406 609 HZ2 LYS 77 1HZ LYS 77 -14.623 -4.602 10.897 610 HZ3 LYS 77 2HZ LYS 77 -13.654 -3.265 11.263 611 H ARG 78 H ARG 78 -9.281 -3.677 4.894 612 HA ARG 78 HA ARG 78 -8.838 -1.238 6.376 613 HB2 ARG 78 1HB ARG 78 -7.182 -3.202 6.018 614 HB3 ARG 78 2HB ARG 78 -6.876 -2.456 4.455 615 HG2 ARG 78 1HG ARG 78 -5.204 -1.666 5.915 616 HG3 ARG 78 2HG ARG 78 -6.341 -0.334 5.697 617 HD2 ARG 78 1HD ARG 78 -5.800 -0.445 8.015 618 HD3 ARG 78 2HD ARG 78 -7.448 -1.042 7.825 619 HE ARG 78 HE ARG 78 -5.423 -3.095 7.809 620 HH11 ARG 78 1HH1 ARG 78 -7.585 -1.183 9.757 621 HH12 ARG 78 2HH1 ARG 78 -7.618 -2.318 11.065 622 HH21 ARG 78 1HH2 ARG 78 -5.461 -4.597 9.525 623 HH22 ARG 78 2HH2 ARG 78 -6.410 -4.259 10.932 624 H ALA 79 H ALA 79 -8.895 -2.226 2.971 625 HA ALA 79 HA ALA 79 -8.157 0.144 1.764 626 HB1 ALA 79 3HB ALA 79 -9.435 -2.291 0.963 627 HB2 ALA 79 1HB ALA 79 -10.206 -0.919 0.166 628 HB3 ALA 79 2HB ALA 79 -8.467 -1.170 0.004 629 H GLU 80 H GLU 80 -11.459 -0.899 2.613 630 HA GLU 80 HA GLU 80 -12.828 1.349 1.741 631 HB2 GLU 80 1HB GLU 80 -14.637 0.648 3.114 632 HB3 GLU 80 2HB GLU 80 -13.818 -0.815 2.582 633 HG2 GLU 80 1HG GLU 80 -14.077 -1.323 4.773 634 HG3 GLU 80 2HG GLU 80 -12.526 -0.492 4.864 635 H ILE 81 H ILE 81 -10.880 0.889 4.587 636 HA ILE 81 HA ILE 81 -11.832 3.234 5.948 637 HB ILE 81 HB ILE 81 -9.439 1.461 6.421 638 HG12 ILE 81 1HG1 ILE 81 -12.011 1.843 7.969 639 HG13 ILE 81 2HG1 ILE 81 -11.660 0.488 6.901 640 HG21 ILE 81 1HG2 ILE 81 -8.734 3.541 7.241 641 HG22 ILE 81 2HG2 ILE 81 -10.337 3.937 7.861 642 HG23 ILE 81 3HG2 ILE 81 -9.366 2.695 8.653 643 HD11 ILE 81 3HD1 ILE 81 -9.526 0.587 8.693 644 HD12 ILE 81 1HD1 ILE 81 -10.973 0.867 9.661 645 HD13 ILE 81 2HD1 ILE 81 -10.849 -0.579 8.658 646 H LEU 82 H LEU 82 -9.186 2.444 3.787 647 HA LEU 82 HA LEU 82 -7.713 4.842 4.179 648 HB2 LEU 82 1HB LEU 82 -7.740 3.047 1.759 649 HB3 LEU 82 2HB LEU 82 -6.487 4.206 2.198 650 HG LEU 82 HG LEU 82 -7.165 1.808 3.889 651 HD11 LEU 82 1HD1 LEU 82 -4.683 1.549 2.496 652 HD12 LEU 82 2HD1 LEU 82 -5.988 1.787 1.334 653 HD13 LEU 82 3HD1 LEU 82 -6.076 0.468 2.502 654 HD21 LEU 82 3HD2 LEU 82 -4.484 3.032 3.857 655 HD22 LEU 82 1HD2 LEU 82 -5.435 2.407 5.205 656 HD23 LEU 82 2HD2 LEU 82 -5.772 4.013 4.559 657 H LYS 83 H LYS 83 -10.241 3.862 1.925 658 HA LYS 83 HA LYS 83 -10.122 6.083 0.211 659 HB2 LYS 83 1HB LYS 83 -12.391 4.234 0.944 660 HB3 LYS 83 2HB LYS 83 -12.537 5.485 -0.283 661 HG2 LYS 83 1HG LYS 83 -10.956 4.440 -1.682 662 HG3 LYS 83 2HG LYS 83 -10.416 3.362 -0.394 663 HD2 LYS 83 1HD LYS 83 -12.423 2.111 -0.469 664 HD3 LYS 83 2HD LYS 83 -13.231 3.330 -1.458 665 HE2 LYS 83 1HE LYS 83 -10.802 1.835 -2.410 666 HE3 LYS 83 2HE LYS 83 -12.438 1.215 -2.637 667 HZ1 LYS 83 3HZ LYS 83 -12.065 2.358 -4.581 668 HZ2 LYS 83 1HZ LYS 83 -11.172 3.586 -3.835 669 HZ3 LYS 83 2HZ LYS 83 -12.853 3.536 -3.659 670 H LYS 84 H LYS 84 -12.353 5.459 2.925 671 HA LYS 84 HA LYS 84 -13.860 7.658 3.047 672 HB2 LYS 84 1HB LYS 84 -13.946 5.955 4.774 673 HB3 LYS 84 2HB LYS 84 -12.369 6.443 5.379 674 HG2 LYS 84 1HG LYS 84 -13.778 7.453 6.882 675 HG3 LYS 84 2HG LYS 84 -13.510 8.754 5.719 676 HD2 LYS 84 1HD LYS 84 -15.617 8.361 4.677 677 HD3 LYS 84 2HD LYS 84 -15.850 6.861 5.577 678 HE2 LYS 84 1HE LYS 84 -17.157 8.265 6.818 679 HE3 LYS 84 2HE LYS 84 -15.617 8.476 7.650 680 HZ1 LYS 84 3HZ LYS 84 -15.257 10.521 6.597 681 HZ2 LYS 84 1HZ LYS 84 -16.885 10.561 7.054 682 HZ3 LYS 84 2HZ LYS 84 -16.466 10.257 5.444 683 H GLU 85 H GLU 85 -10.524 7.556 4.294 684 HA GLU 85 HA GLU 85 -10.429 10.296 4.991 685 HB2 GLU 85 1HB GLU 85 -8.161 8.400 4.361 686 HB3 GLU 85 2HB GLU 85 -7.995 9.960 5.154 687 HG2 GLU 85 1HG GLU 85 -9.780 7.870 6.317 688 HG3 GLU 85 2HG GLU 85 -8.037 7.796 6.570 689 H ARG 86 H ARG 86 -9.241 8.513 2.157 690 HA ARG 86 HA ARG 86 -7.996 10.544 0.784 691 HB2 ARG 86 1HB ARG 86 -7.991 8.214 0.034 692 HB3 ARG 86 2HB ARG 86 -9.698 8.329 -0.370 693 HG2 ARG 86 1HG ARG 86 -9.227 9.930 -2.108 694 HG3 ARG 86 2HG ARG 86 -7.521 9.965 -1.652 695 HD2 ARG 86 1HD ARG 86 -7.269 7.646 -2.285 696 HD3 ARG 86 2HD ARG 86 -8.993 7.521 -2.627 697 HE ARG 86 HE ARG 86 -6.974 8.589 -4.343 698 HH11 ARG 86 1HH1 ARG 86 -10.340 8.801 -3.480 699 HH12 ARG 86 2HH1 ARG 86 -10.831 9.409 -5.026 700 HH21 ARG 86 1HH2 ARG 86 -7.609 9.388 -6.383 701 HH22 ARG 86 2HH2 ARG 86 -9.277 9.742 -6.677 702 H SER 87 H SER 87 -11.224 9.468 -0.235 703 HA SER 87 HA SER 87 -12.757 10.694 -1.482 704 HB2 SER 87 1HB SER 87 -13.187 10.792 1.134 705 HB3 SER 87 2HB SER 87 -12.895 12.514 0.884 706 HG SER 87 HG SER 87 -14.817 12.649 0.072 707 H GLU 88 H GLU 88 -10.164 11.569 -2.157 708 HA GLU 88 HA GLU 88 -10.433 14.491 -2.293 709 HB2 GLU 88 1HB GLU 88 -7.998 14.108 -3.308 710 HB3 GLU 88 2HB GLU 88 -8.287 14.202 -1.576 711 HG2 GLU 88 1HG GLU 88 -8.300 11.788 -1.414 712 HG3 GLU 88 2HG GLU 88 -8.105 11.650 -3.161 713 H SER 89 H SER 89 -11.822 14.823 -3.973 714 HA SER 89 HA SER 89 -12.540 15.027 -6.121 715 HB2 SER 89 1HB SER 89 -10.934 15.419 -7.768 716 HB3 SER 89 2HB SER 89 -10.038 15.751 -6.286 717 HG SER 89 HG SER 89 -9.941 13.444 -7.920 718 H GLY 90 H GLY 90 -12.511 12.382 -4.732 719 HA2 GLY 90 1HA GLY 90 -12.123 10.429 -6.824 720 HA3 GLY 90 2HA GLY 90 -12.752 10.124 -5.212 721 HA PRO 91 HA PRO 91 -16.130 10.259 -8.584 722 HB2 PRO 91 1HB PRO 91 -16.494 7.591 -8.927 723 HB3 PRO 91 2HB PRO 91 -15.369 8.540 -9.905 724 HG2 PRO 91 1HG PRO 91 -14.810 6.794 -7.539 725 HG3 PRO 91 2HG PRO 91 -13.915 6.934 -9.064 726 HD2 PRO 91 1HD PRO 91 -13.110 8.154 -6.784 727 HD3 PRO 91 2HD PRO 91 -12.823 8.850 -8.392 728 H SER 92 H SER 92 -18.269 8.878 -8.401 729 HA SER 92 HA SER 92 -18.852 8.457 -5.544 730 HB2 SER 92 1HB SER 92 -19.764 10.624 -6.493 731 HB3 SER 92 2HB SER 92 -20.802 9.641 -7.527 732 HG SER 92 HG SER 92 -21.920 10.175 -5.656 733 H SER 93 H SER 93 -18.106 6.398 -7.265 734 HA SER 93 HA SER 93 -20.575 4.824 -7.288 735 HB2 SER 93 1HB SER 93 -19.988 3.846 -9.484 736 HB3 SER 93 2HB SER 93 -20.290 5.579 -9.596 737 HG SER 93 HG SER 93 -18.062 5.921 -9.645 738 H GLY 94 H GLY 94 -20.089 2.449 -7.569 739 HA2 GLY 94 1HA GLY 94 -17.909 1.766 -5.780 740 HA3 GLY 94 2HA GLY 94 -19.155 0.678 -6.373 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.213 -4.934 25.783 2 HA2 GLY 1 1HA GLY 1 -7.111 -2.953 25.270 3 HA3 GLY 1 2HA GLY 1 -7.179 -3.390 23.569 4 H SER 2 H SER 2 -8.907 -2.731 22.314 5 HA SER 2 HA SER 2 -10.683 -1.459 21.665 6 HB2 SER 2 1HB SER 2 -11.657 -2.661 23.819 7 HB3 SER 2 2HB SER 2 -11.596 -1.026 24.477 8 HG SER 2 HG SER 2 -13.062 -0.367 23.031 9 H SER 3 H SER 3 -8.181 -0.261 22.172 10 HA SER 3 HA SER 3 -9.060 2.476 22.740 11 HB2 SER 3 1HB SER 3 -7.057 2.933 24.065 12 HB3 SER 3 2HB SER 3 -7.981 1.619 24.794 13 HG SER 3 HG SER 3 -6.438 0.307 23.331 14 H GLY 4 H GLY 4 -8.604 3.706 21.046 15 HA2 GLY 4 1HA GLY 4 -6.110 3.185 19.562 16 HA3 GLY 4 2HA GLY 4 -7.629 3.391 18.702 17 H SER 5 H SER 5 -5.373 4.987 18.246 18 HA SER 5 HA SER 5 -6.303 7.584 19.285 19 HB2 SER 5 1HB SER 5 -4.174 7.240 20.276 20 HB3 SER 5 2HB SER 5 -3.492 6.608 18.777 21 HG SER 5 HG SER 5 -2.796 8.640 18.752 22 H SER 6 H SER 6 -5.408 9.422 17.812 23 HA SER 6 HA SER 6 -6.179 8.722 15.071 24 HB2 SER 6 1HB SER 6 -6.772 11.011 14.763 25 HB3 SER 6 2HB SER 6 -7.392 10.552 16.347 26 HG SER 6 HG SER 6 -5.120 11.406 16.977 27 H GLY 7 H GLY 7 -3.703 7.849 15.543 28 HA2 GLY 7 1HA GLY 7 -1.919 9.917 14.420 29 HA3 GLY 7 2HA GLY 7 -1.375 8.570 15.408 30 H ILE 8 H ILE 8 -3.418 8.885 12.501 31 HA ILE 8 HA ILE 8 -1.900 6.672 11.309 32 HB ILE 8 HB ILE 8 -4.582 7.809 10.506 33 HG12 ILE 8 1HG1 ILE 8 -4.193 5.037 11.543 34 HG13 ILE 8 2HG1 ILE 8 -4.193 6.365 12.699 35 HG21 ILE 8 1HG2 ILE 8 -3.055 5.431 9.456 36 HG22 ILE 8 2HG2 ILE 8 -4.719 5.833 9.036 37 HG23 ILE 8 3HG2 ILE 8 -3.408 6.923 8.586 38 HD11 ILE 8 3HD1 ILE 8 -6.396 5.344 12.470 39 HD12 ILE 8 1HD1 ILE 8 -6.402 7.033 11.960 40 HD13 ILE 8 2HD1 ILE 8 -6.402 5.747 10.752 41 H VAL 9 H VAL 9 -1.234 6.790 9.107 42 HA VAL 9 HA VAL 9 -1.102 9.496 7.968 43 HB VAL 9 HB VAL 9 1.243 7.596 8.119 44 HG11 VAL 9 1HG1 VAL 9 2.059 10.185 7.414 45 HG12 VAL 9 2HG1 VAL 9 2.055 8.742 6.397 46 HG13 VAL 9 3HG1 VAL 9 0.661 9.822 6.404 47 HG21 VAL 9 3HG2 VAL 9 2.078 9.802 9.398 48 HG22 VAL 9 1HG2 VAL 9 0.365 9.850 9.813 49 HG23 VAL 9 2HG2 VAL 9 1.332 8.433 10.220 50 H LEU 10 H LEU 10 -1.152 9.612 5.749 51 HA LEU 10 HA LEU 10 -2.489 7.681 4.310 52 HB2 LEU 10 1HB LEU 10 -0.836 10.036 3.611 53 HB3 LEU 10 2HB LEU 10 -1.167 8.884 2.318 54 HG LEU 10 HG LEU 10 -2.715 10.978 2.743 55 HD11 LEU 10 1HD1 LEU 10 -4.335 8.576 2.264 56 HD12 LEU 10 2HD1 LEU 10 -2.893 8.721 1.260 57 HD13 LEU 10 3HD1 LEU 10 -4.098 10.008 1.263 58 HD21 LEU 10 3HD2 LEU 10 -4.084 8.910 4.446 59 HD22 LEU 10 1HD2 LEU 10 -4.557 10.587 4.168 60 HD23 LEU 10 2HD2 LEU 10 -3.119 10.222 5.123 61 H LEU 11 H LEU 11 0.863 7.831 5.114 62 HA LEU 11 HA LEU 11 1.646 5.893 3.102 63 HB2 LEU 11 1HB LEU 11 3.061 7.842 4.012 64 HB3 LEU 11 2HB LEU 11 3.340 6.799 5.405 65 HG LEU 11 HG LEU 11 4.220 5.083 3.733 66 HD11 LEU 11 1HD1 LEU 11 5.148 6.962 1.829 67 HD12 LEU 11 2HD1 LEU 11 3.395 7.115 1.927 68 HD13 LEU 11 3HD1 LEU 11 4.123 5.550 1.571 69 HD21 LEU 11 3HD2 LEU 11 5.962 5.876 4.921 70 HD22 LEU 11 1HD2 LEU 11 5.483 7.559 4.705 71 HD23 LEU 11 2HD2 LEU 11 6.346 6.717 3.418 72 H ARG 12 H ARG 12 0.903 6.009 6.521 73 HA ARG 12 HA ARG 12 1.956 3.717 7.527 74 HB2 ARG 12 1HB ARG 12 0.298 5.447 8.569 75 HB3 ARG 12 2HB ARG 12 -0.937 4.307 8.050 76 HG2 ARG 12 1HG ARG 12 0.333 2.539 9.330 77 HG3 ARG 12 2HG ARG 12 1.288 3.856 10.014 78 HD2 ARG 12 1HD ARG 12 -0.510 4.729 11.180 79 HD3 ARG 12 2HD ARG 12 -1.696 3.968 10.118 80 HE ARG 12 HE ARG 12 -1.557 2.039 11.375 81 HH11 ARG 12 1HH1 ARG 12 0.934 4.274 12.331 82 HH12 ARG 12 2HH1 ARG 12 1.369 3.385 13.753 83 HH21 ARG 12 1HH2 ARG 12 -0.995 0.859 13.244 84 HH22 ARG 12 2HH2 ARG 12 0.271 1.442 14.271 85 H GLY 13 H GLY 13 -0.469 3.977 5.073 86 HA2 GLY 13 1HA GLY 13 -1.847 1.620 5.175 87 HA3 GLY 13 2HA GLY 13 -1.328 2.364 3.670 88 H LEU 14 H LEU 14 1.538 1.993 4.643 89 HA LEU 14 HA LEU 14 1.837 -0.677 3.530 90 HB2 LEU 14 1HB LEU 14 3.959 1.311 4.319 91 HB3 LEU 14 2HB LEU 14 4.190 -0.149 3.359 92 HG LEU 14 HG LEU 14 2.394 2.057 2.408 93 HD11 LEU 14 1HD1 LEU 14 4.184 3.410 2.420 94 HD12 LEU 14 2HD1 LEU 14 4.693 2.457 1.026 95 HD13 LEU 14 3HD1 LEU 14 5.320 2.077 2.630 96 HD21 LEU 14 3HD2 LEU 14 3.035 1.129 0.211 97 HD22 LEU 14 1HD2 LEU 14 2.228 -0.052 1.245 98 HD23 LEU 14 2HD2 LEU 14 3.979 -0.113 1.037 99 H GLU 15 H GLU 15 3.376 1.039 6.256 100 HA GLU 15 HA GLU 15 4.441 -1.107 7.577 101 HB2 GLU 15 1HB GLU 15 4.396 1.488 8.117 102 HB3 GLU 15 2HB GLU 15 3.125 1.000 9.229 103 HG2 GLU 15 1HG GLU 15 4.934 -0.807 9.915 104 HG3 GLU 15 2HG GLU 15 6.029 0.427 9.294 105 H CYS 16 H CYS 16 1.102 -0.082 7.490 106 HA CYS 16 HA CYS 16 0.040 -1.428 9.656 107 HB2 CYS 16 1HB CYS 16 -1.199 0.115 8.120 108 HB3 CYS 16 2HB CYS 16 -1.268 -1.189 6.940 109 HG CYS 16 HG CYS 16 -2.850 -2.857 8.496 110 H ILE 17 H ILE 17 0.259 -2.665 6.316 111 HA ILE 17 HA ILE 17 -0.518 -5.303 7.025 112 HB ILE 17 HB ILE 17 0.459 -5.884 4.741 113 HG12 ILE 17 1HG1 ILE 17 0.608 -2.880 4.460 114 HG13 ILE 17 2HG1 ILE 17 2.019 -3.888 4.762 115 HG21 ILE 17 1HG2 ILE 17 -1.450 -3.729 4.211 116 HG22 ILE 17 2HG2 ILE 17 -1.567 -5.456 3.883 117 HG23 ILE 17 3HG2 ILE 17 -1.941 -4.838 5.491 118 HD11 ILE 17 3HD1 ILE 17 1.439 -5.141 2.667 119 HD12 ILE 17 1HD1 ILE 17 0.237 -3.891 2.347 120 HD13 ILE 17 2HD1 ILE 17 1.947 -3.468 2.440 121 H ASN 18 H ASN 18 0.752 -7.211 7.043 122 HA ASN 18 HA ASN 18 3.347 -6.827 8.256 123 HB2 ASN 18 1HB ASN 18 1.843 -9.380 7.641 124 HB3 ASN 18 2HB ASN 18 3.288 -9.252 8.639 125 HD21 ASN 18 1HD2 ASN 18 3.118 -8.586 10.720 126 HD22 ASN 18 2HD2 ASN 18 1.613 -8.268 11.508 127 H LYS 19 H LYS 19 5.283 -7.859 7.534 128 HA LYS 19 HA LYS 19 6.097 -7.374 5.002 129 HB2 LYS 19 1HB LYS 19 6.976 -9.657 6.776 130 HB3 LYS 19 2HB LYS 19 7.839 -9.139 5.334 131 HG2 LYS 19 1HG LYS 19 7.254 -7.226 7.563 132 HG3 LYS 19 2HG LYS 19 8.656 -8.299 7.610 133 HD2 LYS 19 1HD LYS 19 9.101 -7.353 5.217 134 HD3 LYS 19 2HD LYS 19 8.058 -6.033 5.753 135 HE2 LYS 19 1HE LYS 19 9.520 -5.463 7.515 136 HE3 LYS 19 2HE LYS 19 10.419 -6.971 7.359 137 HZ1 LYS 19 3HZ LYS 19 11.684 -5.190 6.410 138 HZ2 LYS 19 1HZ LYS 19 10.392 -4.721 5.424 139 HZ3 LYS 19 2HZ LYS 19 11.164 -6.200 5.157 140 H HIS 20 H HIS 20 4.125 -10.028 6.047 141 HA HIS 20 HA HIS 20 4.487 -11.851 3.983 142 HB2 HIS 20 1HB HIS 20 3.155 -12.665 5.692 143 HB3 HIS 20 2HB HIS 20 2.199 -11.190 5.793 144 HD1 HIS 20 HD1 HIS 20 2.511 -14.368 3.817 145 HD2 HIS 20 HD2 HIS 20 -0.054 -11.121 4.178 146 HE1 HIS 20 HE1 HIS 20 0.451 -14.991 2.515 147 HE2 HIS 20 HE2 HIS 20 -1.052 -12.976 2.677 148 H TYR 21 H TYR 21 1.816 -9.491 4.190 149 HA TYR 21 HA TYR 21 1.123 -9.794 1.449 150 HB2 TYR 21 1HB TYR 21 0.305 -7.917 3.639 151 HB3 TYR 21 2HB TYR 21 -0.183 -7.590 1.979 152 HD1 TYR 21 HD1 TYR 21 -0.798 -10.213 0.910 153 HD2 TYR 21 HD2 TYR 21 -1.577 -8.635 4.784 154 HE1 TYR 21 HE1 TYR 21 -2.691 -11.765 1.156 155 HE2 TYR 21 HE2 TYR 21 -3.470 -10.183 5.040 156 HH TYR 21 HH TYR 21 -4.656 -11.812 4.118 157 H PHE 22 H PHE 22 2.921 -7.344 3.264 158 HA PHE 22 HA PHE 22 3.284 -5.400 1.376 159 HB2 PHE 22 1HB PHE 22 4.148 -5.326 3.711 160 HB3 PHE 22 2HB PHE 22 5.442 -6.420 3.233 161 HD1 PHE 22 HD1 PHE 22 4.033 -3.526 1.381 162 HD2 PHE 22 HD2 PHE 22 7.372 -5.151 3.463 163 HE1 PHE 22 HE1 PHE 22 5.400 -1.602 0.687 164 HE2 PHE 22 HE2 PHE 22 8.742 -3.228 2.773 165 HZ PHE 22 HZ PHE 22 7.757 -1.450 1.384 166 H SER 23 H SER 23 4.981 -8.480 1.638 167 HA SER 23 HA SER 23 6.985 -8.078 -0.242 168 HB2 SER 23 1HB SER 23 6.600 -10.090 1.314 169 HB3 SER 23 2HB SER 23 5.540 -10.709 0.048 170 HG SER 23 HG SER 23 8.318 -10.298 0.005 171 H LEU 24 H LEU 24 3.637 -9.122 -0.703 172 HA LEU 24 HA LEU 24 3.815 -9.665 -3.460 173 HB2 LEU 24 1HB LEU 24 1.535 -8.947 -1.648 174 HB3 LEU 24 2HB LEU 24 1.295 -9.204 -3.375 175 HG LEU 24 HG LEU 24 2.527 -11.495 -2.803 176 HD11 LEU 24 1HD1 LEU 24 1.051 -10.866 -0.254 177 HD12 LEU 24 2HD1 LEU 24 2.806 -10.849 -0.419 178 HD13 LEU 24 3HD1 LEU 24 1.913 -12.352 -0.652 179 HD21 LEU 24 3HD2 LEU 24 0.084 -10.825 -3.613 180 HD22 LEU 24 1HD2 LEU 24 -0.328 -11.416 -2.004 181 HD23 LEU 24 2HD2 LEU 24 0.503 -12.473 -3.145 182 H PHE 25 H PHE 25 2.870 -6.737 -1.694 183 HA PHE 25 HA PHE 25 2.098 -5.135 -3.804 184 HB2 PHE 25 1HB PHE 25 2.042 -4.601 -1.312 185 HB3 PHE 25 2HB PHE 25 3.728 -4.118 -1.477 186 HD1 PHE 25 HD1 PHE 25 0.822 -3.574 -3.739 187 HD2 PHE 25 HD2 PHE 25 3.779 -1.825 -1.226 188 HE1 PHE 25 HE1 PHE 25 0.105 -1.333 -4.459 189 HE2 PHE 25 HE2 PHE 25 3.064 0.419 -1.941 190 HZ PHE 25 HZ PHE 25 1.224 0.667 -3.559 191 H LYS 26 H LYS 26 5.370 -5.607 -2.506 192 HA LYS 26 HA LYS 26 6.702 -3.836 -4.216 193 HB2 LYS 26 1HB LYS 26 7.516 -6.213 -2.599 194 HB3 LYS 26 2HB LYS 26 8.656 -5.564 -3.770 195 HG2 LYS 26 1HG LYS 26 8.714 -3.458 -2.678 196 HG3 LYS 26 2HG LYS 26 7.348 -3.888 -1.645 197 HD2 LYS 26 1HD LYS 26 9.835 -5.545 -1.586 198 HD3 LYS 26 2HD LYS 26 9.782 -4.012 -0.713 199 HE2 LYS 26 1HE LYS 26 7.495 -5.009 0.164 200 HE3 LYS 26 2HE LYS 26 8.281 -6.536 -0.231 201 HZ1 LYS 26 3HZ LYS 26 9.521 -4.461 1.488 202 HZ2 LYS 26 1HZ LYS 26 10.049 -6.050 1.249 203 HZ3 LYS 26 2HZ LYS 26 8.614 -5.753 2.095 204 H SER 27 H SER 27 5.534 -7.077 -4.716 205 HA SER 27 HA SER 27 7.073 -7.631 -7.050 206 HB2 SER 27 1HB SER 27 6.058 -9.413 -5.667 207 HB3 SER 27 2HB SER 27 4.454 -8.860 -6.150 208 HG SER 27 HG SER 27 4.715 -10.178 -7.760 209 H LEU 28 H LEU 28 3.964 -6.135 -6.438 210 HA LEU 28 HA LEU 28 3.222 -6.063 -9.224 211 HB2 LEU 28 1HB LEU 28 1.980 -4.452 -7.014 212 HB3 LEU 28 2HB LEU 28 1.247 -4.981 -8.527 213 HG LEU 28 HG LEU 28 2.087 -6.944 -6.413 214 HD11 LEU 28 1HD1 LEU 28 0.398 -5.041 -5.715 215 HD12 LEU 28 2HD1 LEU 28 0.143 -6.722 -5.242 216 HD13 LEU 28 3HD1 LEU 28 -0.739 -6.047 -6.613 217 HD21 LEU 28 3HD2 LEU 28 1.437 -8.369 -7.990 218 HD22 LEU 28 1HD2 LEU 28 0.840 -7.060 -9.010 219 HD23 LEU 28 2HD2 LEU 28 -0.205 -7.762 -7.776 220 H LEU 29 H LEU 29 4.950 -4.056 -7.008 221 HA LEU 29 HA LEU 29 4.797 -1.749 -8.799 222 HB2 LEU 29 1HB LEU 29 5.574 -2.176 -5.967 223 HB3 LEU 29 2HB LEU 29 6.355 -0.858 -6.837 224 HG LEU 29 HG LEU 29 4.492 0.016 -5.608 225 HD11 LEU 29 1HD1 LEU 29 4.914 0.440 -8.257 226 HD12 LEU 29 2HD1 LEU 29 3.788 1.358 -7.259 227 HD13 LEU 29 3HD1 LEU 29 3.203 0.014 -8.240 228 HD21 LEU 29 3HD2 LEU 29 2.155 -0.838 -6.451 229 HD22 LEU 29 1HD2 LEU 29 3.013 -1.675 -5.157 230 HD23 LEU 29 2HD2 LEU 29 3.062 -2.309 -6.802 231 H ALA 30 H ALA 30 6.843 -4.367 -7.996 232 HA ALA 30 HA ALA 30 9.401 -3.560 -8.309 233 HB1 ALA 30 3HB ALA 30 8.138 -5.959 -9.631 234 HB2 ALA 30 1HB ALA 30 9.871 -5.715 -9.406 235 HB3 ALA 30 2HB ALA 30 8.815 -5.888 -8.004 236 H ARG 31 H ARG 31 7.044 -3.952 -10.921 237 HA ARG 31 HA ARG 31 8.818 -3.416 -13.050 238 HB2 ARG 31 1HB ARG 31 6.505 -2.654 -14.127 239 HB3 ARG 31 2HB ARG 31 6.901 -4.348 -13.864 240 HG2 ARG 31 1HG ARG 31 5.523 -2.896 -11.675 241 HG3 ARG 31 2HG ARG 31 4.590 -3.311 -13.115 242 HD2 ARG 31 1HD ARG 31 6.291 -5.417 -11.888 243 HD3 ARG 31 2HD ARG 31 4.803 -4.965 -11.057 244 HE ARG 31 HE ARG 31 4.385 -5.477 -13.837 245 HH11 ARG 31 1HH1 ARG 31 4.759 -6.982 -10.720 246 HH12 ARG 31 2HH1 ARG 31 3.869 -8.404 -11.155 247 HH21 ARG 31 1HH2 ARG 31 3.212 -7.344 -14.421 248 HH22 ARG 31 2HH2 ARG 31 2.991 -8.609 -13.260 249 H ASP 32 H ASP 32 6.516 -1.312 -11.334 250 HA ASP 32 HA ASP 32 7.261 1.040 -12.746 251 HB2 ASP 32 1HB ASP 32 5.817 0.663 -10.115 252 HB3 ASP 32 2HB ASP 32 6.011 2.217 -10.920 253 H LEU 33 H LEU 33 7.790 0.191 -9.318 254 HA LEU 33 HA LEU 33 9.653 2.220 -8.813 255 HB2 LEU 33 1HB LEU 33 9.164 -0.433 -7.486 256 HB3 LEU 33 2HB LEU 33 10.342 0.731 -6.882 257 HG LEU 33 HG LEU 33 7.366 1.179 -7.112 258 HD11 LEU 33 1HD1 LEU 33 8.615 -0.329 -5.252 259 HD12 LEU 33 2HD1 LEU 33 7.149 0.602 -4.950 260 HD13 LEU 33 3HD1 LEU 33 8.722 1.265 -4.504 261 HD21 LEU 33 3HD2 LEU 33 9.515 3.028 -6.989 262 HD22 LEU 33 1HD2 LEU 33 8.680 3.055 -5.435 263 HD23 LEU 33 2HD2 LEU 33 7.781 3.348 -6.925 264 H ASN 34 H ASN 34 9.969 -0.584 -10.661 265 HA ASN 34 HA ASN 34 11.719 -1.562 -11.734 266 HB2 ASN 34 1HB ASN 34 13.453 0.744 -10.875 267 HB3 ASN 34 2HB ASN 34 13.560 -0.220 -12.344 268 HD21 ASN 34 1HD2 ASN 34 13.232 2.718 -11.767 269 HD22 ASN 34 2HD2 ASN 34 11.892 3.197 -12.747 270 H LEU 35 H LEU 35 11.231 -2.232 -9.004 271 HA LEU 35 HA LEU 35 13.636 -2.373 -7.513 272 HB2 LEU 35 1HB LEU 35 11.258 -4.206 -7.304 273 HB3 LEU 35 2HB LEU 35 12.464 -3.877 -6.061 274 HG LEU 35 HG LEU 35 10.641 -1.734 -7.119 275 HD11 LEU 35 1HD1 LEU 35 9.690 -3.978 -5.889 276 HD12 LEU 35 2HD1 LEU 35 8.917 -2.394 -5.857 277 HD13 LEU 35 3HD1 LEU 35 9.959 -2.893 -4.525 278 HD21 LEU 35 3HD2 LEU 35 12.812 -1.356 -5.728 279 HD22 LEU 35 1HD2 LEU 35 11.813 -1.896 -4.378 280 HD23 LEU 35 2HD2 LEU 35 11.337 -0.480 -5.316 281 H GLU 36 H GLU 36 14.504 -4.590 -6.794 282 HA GLU 36 HA GLU 36 15.140 -6.097 -9.229 283 HB2 GLU 36 1HB GLU 36 16.581 -5.503 -6.705 284 HB3 GLU 36 2HB GLU 36 16.883 -7.073 -7.434 285 HG2 GLU 36 1HG GLU 36 17.019 -4.692 -9.191 286 HG3 GLU 36 2HG GLU 36 18.321 -4.936 -8.029 287 H ARG 37 H ARG 37 13.770 -7.742 -9.520 288 HA ARG 37 HA ARG 37 12.084 -9.024 -7.899 289 HB2 ARG 37 1HB ARG 37 13.887 -10.344 -9.935 290 HB3 ARG 37 2HB ARG 37 12.474 -11.111 -9.221 291 HG2 ARG 37 1HG ARG 37 11.085 -9.265 -10.144 292 HG3 ARG 37 2HG ARG 37 12.522 -8.668 -10.975 293 HD2 ARG 37 1HD ARG 37 11.411 -9.965 -12.577 294 HD3 ARG 37 2HD ARG 37 12.700 -11.008 -11.978 295 HE ARG 37 HE ARG 37 10.240 -11.374 -10.566 296 HH11 ARG 37 1HH1 ARG 37 12.005 -12.234 -13.440 297 HH12 ARG 37 2HH1 ARG 37 11.163 -13.732 -13.664 298 HH21 ARG 37 1HH2 ARG 37 9.125 -13.343 -10.851 299 HH22 ARG 37 2HH2 ARG 37 9.526 -14.361 -12.192 300 H ASP 38 H ASP 38 15.561 -9.416 -7.856 301 HA ASP 38 HA ASP 38 15.478 -11.611 -5.977 302 HB2 ASP 38 1HB ASP 38 18.000 -11.200 -5.928 303 HB3 ASP 38 2HB ASP 38 17.307 -11.697 -7.469 304 H ASN 39 H ASN 39 16.491 -8.201 -5.909 305 HA ASN 39 HA ASN 39 16.700 -8.306 -3.002 306 HB2 ASN 39 1HB ASN 39 17.438 -6.228 -5.058 307 HB3 ASN 39 2HB ASN 39 17.458 -5.882 -3.331 308 HD21 ASN 39 1HD2 ASN 39 18.445 -8.161 -2.265 309 HD22 ASN 39 2HD2 ASN 39 20.058 -8.433 -2.819 310 H GLN 40 H GLN 40 14.110 -8.677 -3.945 311 HA GLN 40 HA GLN 40 12.712 -6.143 -3.748 312 HB2 GLN 40 1HB GLN 40 11.985 -8.937 -4.444 313 HB3 GLN 40 2HB GLN 40 10.717 -7.932 -3.755 314 HG2 GLN 40 1HG GLN 40 11.157 -6.250 -5.516 315 HG3 GLN 40 2HG GLN 40 12.319 -7.363 -6.237 316 HE21 GLN 40 1HE2 GLN 40 10.932 -7.160 -8.121 317 HE22 GLN 40 2HE2 GLN 40 9.532 -8.163 -8.247 318 H GLU 41 H GLU 41 12.847 -9.197 -1.926 319 HA GLU 41 HA GLU 41 11.192 -8.282 0.191 320 HB2 GLU 41 1HB GLU 41 11.938 -10.288 1.380 321 HB3 GLU 41 2HB GLU 41 11.491 -10.664 -0.279 322 HG2 GLU 41 1HG GLU 41 13.894 -10.599 -0.886 323 HG3 GLU 41 2HG GLU 41 14.276 -10.376 0.821 324 H GLN 42 H GLN 42 14.697 -8.468 -0.254 325 HA GLN 42 HA GLN 42 15.611 -7.833 2.248 326 HB2 GLN 42 1HB GLN 42 17.604 -7.037 1.233 327 HB3 GLN 42 2HB GLN 42 16.984 -8.299 0.177 328 HG2 GLN 42 1HG GLN 42 16.473 -6.846 -1.498 329 HG3 GLN 42 2HG GLN 42 16.193 -5.499 -0.395 330 HE21 GLN 42 1HE2 GLN 42 17.469 -4.192 -1.770 331 HE22 GLN 42 2HE2 GLN 42 19.195 -4.283 -1.732 332 H TYR 43 H TYR 43 13.856 -5.816 0.063 333 HA TYR 43 HA TYR 43 14.601 -3.300 1.149 334 HB2 TYR 43 1HB TYR 43 12.354 -4.263 -0.588 335 HB3 TYR 43 2HB TYR 43 12.319 -2.631 0.069 336 HD1 TYR 43 HD1 TYR 43 14.619 -1.304 -0.270 337 HD2 TYR 43 HD2 TYR 43 13.281 -4.547 -2.677 338 HE1 TYR 43 HE1 TYR 43 16.064 -0.532 -2.102 339 HE2 TYR 43 HE2 TYR 43 14.726 -3.786 -4.516 340 HH TYR 43 HH TYR 43 16.074 -2.165 -5.249 341 H THR 44 H THR 44 13.079 -1.840 2.284 342 HA THR 44 HA THR 44 11.581 -3.324 4.343 343 HB THR 44 HB THR 44 11.959 -1.412 5.836 344 HG1 THR 44 HG1 THR 44 12.185 0.168 4.115 345 HG21 THR 44 3HG2 THR 44 13.996 -2.150 6.490 346 HG22 THR 44 1HG2 THR 44 14.711 -1.915 4.895 347 HG23 THR 44 2HG2 THR 44 13.740 -3.350 5.224 348 H THR 45 H THR 45 10.028 -1.536 5.482 349 HA THR 45 HA THR 45 8.019 -1.018 3.499 350 HB THR 45 HB THR 45 6.752 -0.030 5.462 351 HG1 THR 45 HG1 THR 45 8.043 0.446 7.083 352 HG21 THR 45 3HG2 THR 45 6.810 -2.396 6.678 353 HG22 THR 45 1HG2 THR 45 7.700 -2.836 5.222 354 HG23 THR 45 2HG2 THR 45 6.069 -2.177 5.092 355 H ILE 46 H ILE 46 10.567 0.778 4.923 356 HA ILE 46 HA ILE 46 9.389 3.371 4.431 357 HB ILE 46 HB ILE 46 12.117 2.498 5.357 358 HG12 ILE 46 1HG1 ILE 46 9.739 3.847 6.612 359 HG13 ILE 46 2HG1 ILE 46 10.575 2.387 7.131 360 HG21 ILE 46 1HG2 ILE 46 12.376 4.451 3.897 361 HG22 ILE 46 2HG2 ILE 46 11.191 5.326 4.866 362 HG23 ILE 46 3HG2 ILE 46 12.729 4.841 5.581 363 HD11 ILE 46 3HD1 ILE 46 11.363 3.837 8.679 364 HD12 ILE 46 1HD1 ILE 46 12.577 4.090 7.425 365 HD13 ILE 46 2HD1 ILE 46 11.242 5.229 7.603 366 H GLN 47 H GLN 47 12.489 2.006 3.323 367 HA GLN 47 HA GLN 47 13.159 3.605 1.306 368 HB2 GLN 47 1HB GLN 47 13.217 0.599 1.384 369 HB3 GLN 47 2HB GLN 47 13.877 1.489 0.018 370 HG2 GLN 47 1HG GLN 47 15.142 2.782 1.951 371 HG3 GLN 47 2HG GLN 47 14.874 1.258 2.797 372 HE21 GLN 47 1HE2 GLN 47 15.853 -0.619 2.028 373 HE22 GLN 47 2HE2 GLN 47 17.181 -0.572 0.925 374 H ILE 48 H ILE 48 10.881 0.901 0.836 375 HA ILE 48 HA ILE 48 10.210 1.447 -1.810 376 HB ILE 48 HB ILE 48 8.420 0.263 0.316 377 HG12 ILE 48 1HG1 ILE 48 10.515 -0.965 0.138 378 HG13 ILE 48 2HG1 ILE 48 9.211 -1.908 -0.572 379 HG21 ILE 48 1HG2 ILE 48 8.199 0.524 -2.641 380 HG22 ILE 48 2HG2 ILE 48 7.568 -0.929 -1.867 381 HG23 ILE 48 3HG2 ILE 48 6.954 0.656 -1.399 382 HD11 ILE 48 3HD1 ILE 48 11.418 -0.434 -1.958 383 HD12 ILE 48 1HD1 ILE 48 11.012 -2.149 -2.036 384 HD13 ILE 48 2HD1 ILE 48 9.964 -0.957 -2.806 385 H ALA 49 H ALA 49 8.724 2.623 1.189 386 HA ALA 49 HA ALA 49 6.547 3.973 0.173 387 HB1 ALA 49 3HB ALA 49 8.163 5.209 2.362 388 HB2 ALA 49 1HB ALA 49 6.412 5.080 2.195 389 HB3 ALA 49 2HB ALA 49 7.365 3.657 2.617 390 H ASN 50 H ASN 50 9.735 5.434 0.859 391 HA ASN 50 HA ASN 50 9.329 7.937 -0.156 392 HB2 ASN 50 1HB ASN 50 11.744 6.175 -0.018 393 HB3 ASN 50 2HB ASN 50 11.854 7.711 -0.873 394 HD21 ASN 50 1HD2 ASN 50 12.701 6.425 1.864 395 HD22 ASN 50 2HD2 ASN 50 12.445 7.729 2.968 396 H MET 51 H MET 51 10.953 5.386 -2.050 397 HA MET 51 HA MET 51 11.067 6.472 -4.493 398 HB2 MET 51 1HB MET 51 10.293 3.676 -3.708 399 HB3 MET 51 2HB MET 51 10.448 4.132 -5.398 400 HG2 MET 51 1HG MET 51 12.785 5.016 -4.640 401 HG3 MET 51 2HG MET 51 12.543 3.899 -3.298 402 HE1 MET 51 3HE MET 51 12.833 1.761 -3.201 403 HE2 MET 51 1HE MET 51 13.133 0.570 -4.466 404 HE3 MET 51 2HE MET 51 14.417 1.674 -3.973 405 H MET 52 H MET 52 8.135 5.011 -3.122 406 HA MET 52 HA MET 52 6.504 5.488 -5.388 407 HB2 MET 52 1HB MET 52 5.799 5.029 -2.487 408 HB3 MET 52 2HB MET 52 4.613 5.108 -3.782 409 HG2 MET 52 1HG MET 52 5.965 3.227 -4.872 410 HG3 MET 52 2HG MET 52 6.717 3.038 -3.290 411 HE1 MET 52 3HE MET 52 2.883 3.557 -4.630 412 HE2 MET 52 1HE MET 52 3.862 2.436 -5.577 413 HE3 MET 52 2HE MET 52 2.531 1.829 -4.591 414 H GLU 53 H GLU 53 6.564 7.135 -2.219 415 HA GLU 53 HA GLU 53 4.811 9.142 -2.574 416 HB2 GLU 53 1HB GLU 53 7.457 9.037 -1.207 417 HB3 GLU 53 2HB GLU 53 6.679 10.605 -1.370 418 HG2 GLU 53 1HG GLU 53 5.088 8.329 -0.308 419 HG3 GLU 53 2HG GLU 53 6.283 9.097 0.737 420 H GLU 54 H GLU 54 7.855 8.798 -4.224 421 HA GLU 54 HA GLU 54 7.669 11.465 -5.386 422 HB2 GLU 54 1HB GLU 54 9.741 9.289 -5.704 423 HB3 GLU 54 2HB GLU 54 9.830 10.869 -6.469 424 HG2 GLU 54 1HG GLU 54 9.654 10.511 -3.494 425 HG3 GLU 54 2HG GLU 54 11.184 10.561 -4.368 426 H LYS 55 H LYS 55 7.722 8.077 -6.453 427 HA LYS 55 HA LYS 55 7.435 8.468 -9.180 428 HB2 LYS 55 1HB LYS 55 6.525 6.269 -7.344 429 HB3 LYS 55 2HB LYS 55 6.181 6.208 -9.069 430 HG2 LYS 55 1HG LYS 55 8.971 6.619 -8.062 431 HG3 LYS 55 2HG LYS 55 8.268 5.005 -8.190 432 HD2 LYS 55 1HD LYS 55 8.236 6.916 -10.505 433 HD3 LYS 55 2HD LYS 55 9.636 5.892 -10.176 434 HE2 LYS 55 1HE LYS 55 8.265 3.905 -10.360 435 HE3 LYS 55 2HE LYS 55 6.818 4.889 -10.573 436 HZ1 LYS 55 3HZ LYS 55 8.266 3.893 -12.587 437 HZ2 LYS 55 1HZ LYS 55 8.953 5.434 -12.448 438 HZ3 LYS 55 2HZ LYS 55 7.291 5.269 -12.716 439 H PHE 56 H PHE 56 4.924 8.257 -6.686 440 HA PHE 56 HA PHE 56 3.035 9.423 -8.621 441 HB2 PHE 56 1HB PHE 56 2.005 7.704 -6.412 442 HB3 PHE 56 2HB PHE 56 1.343 7.980 -8.020 443 HD1 PHE 56 HD2 PHE 56 2.172 6.730 -9.938 444 HD2 PHE 56 HD1 PHE 56 3.639 5.995 -6.011 445 HE1 PHE 56 HE2 PHE 56 3.138 4.600 -10.701 446 HE2 PHE 56 HE1 PHE 56 4.609 3.865 -6.768 447 HZ PHE 56 HZ PHE 56 4.359 3.164 -9.115 448 HA PRO 57 HA PRO 57 3.397 12.301 -5.053 449 HB2 PRO 57 1HB PRO 57 3.124 14.539 -6.564 450 HB3 PRO 57 2HB PRO 57 4.674 13.723 -6.327 451 HG2 PRO 57 1HG PRO 57 2.781 13.561 -8.641 452 HG3 PRO 57 2HG PRO 57 4.550 13.692 -8.650 453 HD2 PRO 57 1HD PRO 57 3.261 11.342 -9.035 454 HD3 PRO 57 2HD PRO 57 4.844 11.443 -8.237 455 H ALA 58 H ALA 58 1.010 11.474 -7.307 456 HA ALA 58 HA ALA 58 -0.979 13.380 -6.484 457 HB1 ALA 58 3HB ALA 58 -0.734 11.314 -8.494 458 HB2 ALA 58 1HB ALA 58 -2.307 11.268 -7.697 459 HB3 ALA 58 2HB ALA 58 -1.754 12.752 -8.473 460 H ASP 59 H ASP 59 -0.708 9.838 -6.127 461 HA ASP 59 HA ASP 59 -2.540 9.986 -3.843 462 HB2 ASP 59 1HB ASP 59 -1.783 7.841 -5.776 463 HB3 ASP 59 2HB ASP 59 -2.303 7.363 -4.162 464 H SER 60 H SER 60 0.753 9.531 -4.642 465 HA SER 60 HA SER 60 2.615 9.150 -3.393 466 HB2 SER 60 1HB SER 60 0.911 9.421 -0.919 467 HB3 SER 60 2HB SER 60 2.618 9.812 -1.118 468 HG SER 60 HG SER 60 0.628 11.461 -1.329 469 H GLY 61 H GLY 61 0.879 6.950 -4.196 470 HA2 GLY 61 1HA GLY 61 1.207 4.646 -3.999 471 HA3 GLY 61 2HA GLY 61 2.042 4.918 -2.477 472 H LEU 62 H LEU 62 -0.998 6.465 -2.853 473 HA LEU 62 HA LEU 62 -2.110 4.896 -0.709 474 HB2 LEU 62 1HB LEU 62 -2.548 7.230 -0.675 475 HB3 LEU 62 2HB LEU 62 -3.146 7.207 -2.332 476 HG LEU 62 HG LEU 62 -5.056 5.775 -1.478 477 HD11 LEU 62 1HD1 LEU 62 -3.570 5.602 0.795 478 HD12 LEU 62 2HD1 LEU 62 -5.300 5.280 0.691 479 HD13 LEU 62 3HD1 LEU 62 -4.729 6.862 1.220 480 HD21 LEU 62 3HD2 LEU 62 -4.928 8.519 -0.251 481 HD22 LEU 62 1HD2 LEU 62 -6.343 7.658 -0.856 482 HD23 LEU 62 2HD2 LEU 62 -5.122 8.249 -1.983 483 H GLY 63 H GLY 63 -3.584 5.826 -3.820 484 HA2 GLY 63 1HA GLY 63 -5.555 3.932 -3.935 485 HA3 GLY 63 2HA GLY 63 -4.753 4.575 -5.362 486 H LYS 64 H LYS 64 -2.447 3.549 -5.644 487 HA LYS 64 HA LYS 64 -2.643 1.020 -6.549 488 HB2 LYS 64 1HB LYS 64 -0.624 2.686 -6.527 489 HB3 LYS 64 2HB LYS 64 -0.120 1.768 -5.114 490 HG2 LYS 64 1HG LYS 64 1.003 0.805 -6.935 491 HG3 LYS 64 2HG LYS 64 -0.318 -0.302 -6.557 492 HD2 LYS 64 1HD LYS 64 -1.625 0.540 -8.387 493 HD3 LYS 64 2HD LYS 64 -0.451 1.823 -8.694 494 HE2 LYS 64 1HE LYS 64 0.113 0.275 -10.307 495 HE3 LYS 64 2HE LYS 64 1.217 -0.152 -9.000 496 HZ1 LYS 64 3HZ LYS 64 0.083 -2.062 -8.541 497 HZ2 LYS 64 1HZ LYS 64 -0.197 -1.966 -10.206 498 HZ3 LYS 64 2HZ LYS 64 -1.395 -1.478 -9.118 499 H LEU 65 H LEU 65 -2.005 1.949 -3.208 500 HA LEU 65 HA LEU 65 -1.632 -0.754 -2.310 501 HB2 LEU 65 1HB LEU 65 -0.583 1.183 -1.203 502 HB3 LEU 65 2HB LEU 65 -2.181 1.752 -0.724 503 HG LEU 65 HG LEU 65 -0.865 0.621 1.081 504 HD11 LEU 65 1HD1 LEU 65 -3.226 -1.098 0.737 505 HD12 LEU 65 2HD1 LEU 65 -3.524 0.636 0.619 506 HD13 LEU 65 3HD1 LEU 65 -2.776 -0.033 2.069 507 HD21 LEU 65 3HD2 LEU 65 -0.307 -1.600 1.016 508 HD22 LEU 65 1HD2 LEU 65 -0.091 -1.169 -0.680 509 HD23 LEU 65 2HD2 LEU 65 -1.559 -1.996 -0.161 510 H ILE 66 H ILE 66 -4.255 1.621 -2.194 511 HA ILE 66 HA ILE 66 -6.066 0.300 -0.588 512 HB ILE 66 HB ILE 66 -6.493 2.073 -2.978 513 HG12 ILE 66 1HG1 ILE 66 -7.123 2.536 -0.060 514 HG13 ILE 66 2HG1 ILE 66 -5.574 2.952 -0.785 515 HG21 ILE 66 1HG2 ILE 66 -8.429 0.720 -3.006 516 HG22 ILE 66 2HG2 ILE 66 -8.563 0.747 -1.248 517 HG23 ILE 66 3HG2 ILE 66 -8.889 2.208 -2.181 518 HD11 ILE 66 3HD1 ILE 66 -6.637 4.521 -2.262 519 HD12 ILE 66 1HD1 ILE 66 -8.230 4.036 -1.686 520 HD13 ILE 66 2HD1 ILE 66 -7.114 4.863 -0.599 521 H GLU 67 H GLU 67 -5.886 0.092 -4.148 522 HA GLU 67 HA GLU 67 -7.827 -1.857 -4.508 523 HB2 GLU 67 1HB GLU 67 -5.338 -1.233 -6.093 524 HB3 GLU 67 2HB GLU 67 -6.523 -2.421 -6.618 525 HG2 GLU 67 1HG GLU 67 -8.178 -0.392 -6.229 526 HG3 GLU 67 2HG GLU 67 -6.707 0.534 -6.520 527 H PHE 68 H PHE 68 -4.359 -2.236 -3.896 528 HA PHE 68 HA PHE 68 -4.156 -4.990 -4.186 529 HB2 PHE 68 1HB PHE 68 -2.161 -3.696 -3.940 530 HB3 PHE 68 2HB PHE 68 -2.675 -3.086 -2.371 531 HD1 PHE 68 HD1 PHE 68 -1.800 -6.245 -4.128 532 HD2 PHE 68 HD2 PHE 68 -1.957 -4.131 -0.437 533 HE1 PHE 68 HE1 PHE 68 -0.599 -8.087 -3.025 534 HE2 PHE 68 HE2 PHE 68 -0.756 -5.969 0.671 535 HZ PHE 68 HZ PHE 68 -0.075 -7.952 -0.622 536 H CYS 69 H CYS 69 -5.436 -3.091 -1.550 537 HA CYS 69 HA CYS 69 -5.549 -5.288 0.301 538 HB2 CYS 69 1HB CYS 69 -6.560 -2.462 0.306 539 HB3 CYS 69 2HB CYS 69 -7.115 -3.601 1.527 540 HG CYS 69 HG CYS 69 -3.789 -3.039 1.017 541 H GLU 70 H GLU 70 -7.558 -4.021 -2.199 542 HA GLU 70 HA GLU 70 -10.042 -5.053 -1.278 543 HB2 GLU 70 1HB GLU 70 -9.032 -4.102 -3.943 544 HB3 GLU 70 2HB GLU 70 -10.624 -4.832 -3.793 545 HG2 GLU 70 1HG GLU 70 -9.824 -2.554 -2.032 546 HG3 GLU 70 2HG GLU 70 -10.395 -2.269 -3.674 547 H GLU 71 H GLU 71 -7.931 -6.162 -3.936 548 HA GLU 71 HA GLU 71 -9.147 -8.478 -4.638 549 HB2 GLU 71 1HB GLU 71 -7.183 -9.104 -5.645 550 HB3 GLU 71 2HB GLU 71 -6.850 -7.400 -5.365 551 HG2 GLU 71 1HG GLU 71 -5.556 -7.924 -3.407 552 HG3 GLU 71 2HG GLU 71 -5.980 -9.629 -3.542 553 H VAL 72 H VAL 72 -7.441 -7.850 -1.673 554 HA VAL 72 HA VAL 72 -7.605 -10.666 -0.882 555 HB VAL 72 HB VAL 72 -6.362 -8.396 0.669 556 HG11 VAL 72 1HG1 VAL 72 -6.674 -11.283 1.078 557 HG12 VAL 72 2HG1 VAL 72 -5.040 -10.673 1.346 558 HG13 VAL 72 3HG1 VAL 72 -6.396 -9.994 2.247 559 HG21 VAL 72 3HG2 VAL 72 -4.200 -9.506 -0.212 560 HG22 VAL 72 1HG2 VAL 72 -5.239 -10.146 -1.485 561 HG23 VAL 72 2HG2 VAL 72 -5.080 -8.403 -1.270 562 HA PRO 73 HA PRO 73 -11.388 -9.703 1.270 563 HB2 PRO 73 1HB PRO 73 -11.748 -12.184 2.309 564 HB3 PRO 73 2HB PRO 73 -12.105 -11.788 0.625 565 HG2 PRO 73 1HG PRO 73 -9.690 -13.122 1.787 566 HG3 PRO 73 2HG PRO 73 -10.598 -13.533 0.321 567 HD2 PRO 73 1HD PRO 73 -8.268 -12.157 0.253 568 HD3 PRO 73 2HD PRO 73 -9.565 -11.896 -0.930 569 H ALA 74 H ALA 74 -8.362 -10.116 2.502 570 HA ALA 74 HA ALA 74 -9.296 -10.038 5.296 571 HB1 ALA 74 3HB ALA 74 -7.377 -11.095 5.988 572 HB2 ALA 74 1HB ALA 74 -7.619 -11.841 4.407 573 HB3 ALA 74 2HB ALA 74 -6.441 -10.541 4.600 574 H LEU 75 H LEU 75 -8.365 -8.050 2.868 575 HA LEU 75 HA LEU 75 -7.213 -6.094 4.745 576 HB2 LEU 75 1HB LEU 75 -6.570 -6.467 1.824 577 HB3 LEU 75 2HB LEU 75 -5.992 -5.132 2.820 578 HG LEU 75 HG LEU 75 -5.338 -8.036 3.316 579 HD11 LEU 75 1HD1 LEU 75 -3.042 -7.256 2.522 580 HD12 LEU 75 2HD1 LEU 75 -3.890 -5.894 1.793 581 HD13 LEU 75 3HD1 LEU 75 -4.273 -7.541 1.293 582 HD21 LEU 75 3HD2 LEU 75 -4.739 -5.485 4.689 583 HD22 LEU 75 1HD2 LEU 75 -3.418 -6.646 4.548 584 HD23 LEU 75 2HD2 LEU 75 -4.921 -7.114 5.343 585 H ARG 76 H ARG 76 -9.646 -6.840 2.486 586 HA ARG 76 HA ARG 76 -10.396 -4.494 1.324 587 HB2 ARG 76 1HB ARG 76 -11.934 -6.809 2.405 588 HB3 ARG 76 2HB ARG 76 -12.830 -5.378 1.911 589 HG2 ARG 76 1HG ARG 76 -12.022 -5.545 -0.322 590 HG3 ARG 76 2HG ARG 76 -10.875 -6.809 0.130 591 HD2 ARG 76 1HD ARG 76 -12.674 -7.920 -0.913 592 HD3 ARG 76 2HD ARG 76 -12.881 -8.192 0.816 593 HE ARG 76 HE ARG 76 -14.863 -7.074 0.698 594 HH11 ARG 76 1HH1 ARG 76 -12.932 -6.207 -2.066 595 HH12 ARG 76 2HH1 ARG 76 -14.186 -5.274 -2.813 596 HH21 ARG 76 1HH2 ARG 76 -16.522 -5.847 -0.276 597 HH22 ARG 76 2HH2 ARG 76 -16.227 -5.070 -1.794 598 H LYS 77 H LYS 77 -11.618 -5.578 4.499 599 HA LYS 77 HA LYS 77 -13.052 -3.433 5.296 600 HB2 LYS 77 1HB LYS 77 -12.690 -5.470 6.654 601 HB3 LYS 77 2HB LYS 77 -11.071 -4.902 7.047 602 HG2 LYS 77 1HG LYS 77 -12.290 -4.298 8.911 603 HG3 LYS 77 2HG LYS 77 -12.281 -2.809 7.961 604 HD2 LYS 77 1HD LYS 77 -14.505 -3.595 7.003 605 HD3 LYS 77 2HD LYS 77 -14.510 -4.803 8.290 606 HE2 LYS 77 1HE LYS 77 -14.094 -1.906 8.918 607 HE3 LYS 77 2HE LYS 77 -15.718 -2.542 8.667 608 HZ1 LYS 77 3HZ LYS 77 -14.385 -2.558 11.016 609 HZ2 LYS 77 1HZ LYS 77 -14.119 -4.132 10.453 610 HZ3 LYS 77 2HZ LYS 77 -15.698 -3.555 10.640 611 H ARG 78 H ARG 78 -9.593 -3.571 4.941 612 HA ARG 78 HA ARG 78 -9.109 -1.103 6.347 613 HB2 ARG 78 1HB ARG 78 -7.469 -3.042 6.108 614 HB3 ARG 78 2HB ARG 78 -7.217 -2.492 4.456 615 HG2 ARG 78 1HG ARG 78 -5.541 -1.711 6.171 616 HG3 ARG 78 2HG ARG 78 -6.273 -0.458 5.166 617 HD2 ARG 78 1HD ARG 78 -7.493 0.412 6.899 618 HD3 ARG 78 2HD ARG 78 -7.567 -1.125 7.759 619 HE ARG 78 HE ARG 78 -4.910 -0.138 7.676 620 HH11 ARG 78 1HH1 ARG 78 -7.981 0.332 9.247 621 HH12 ARG 78 2HH1 ARG 78 -7.289 0.980 10.696 622 HH21 ARG 78 1HH2 ARG 78 -3.986 0.713 9.581 623 HH22 ARG 78 2HH2 ARG 78 -5.016 1.197 10.885 624 H ALA 79 H ALA 79 -8.783 -2.115 2.940 625 HA ALA 79 HA ALA 79 -8.115 0.146 1.671 626 HB1 ALA 79 3HB ALA 79 -10.267 -0.763 0.132 627 HB2 ALA 79 1HB ALA 79 -8.567 -1.201 -0.033 628 HB3 ALA 79 2HB ALA 79 -9.639 -2.186 0.964 629 H GLU 80 H GLU 80 -11.568 -0.616 2.177 630 HA GLU 80 HA GLU 80 -12.721 1.710 1.425 631 HB2 GLU 80 1HB GLU 80 -14.562 1.215 2.858 632 HB3 GLU 80 2HB GLU 80 -13.887 -0.323 2.337 633 HG2 GLU 80 1HG GLU 80 -12.673 -0.475 4.483 634 HG3 GLU 80 2HG GLU 80 -13.470 1.009 5.002 635 H ILE 81 H ILE 81 -11.331 1.087 4.636 636 HA ILE 81 HA ILE 81 -11.914 3.562 5.789 637 HB ILE 81 HB ILE 81 -9.538 1.779 6.336 638 HG12 ILE 81 1HG1 ILE 81 -12.244 1.923 7.683 639 HG13 ILE 81 2HG1 ILE 81 -11.717 0.647 6.593 640 HG21 ILE 81 1HG2 ILE 81 -9.241 2.919 8.375 641 HG22 ILE 81 2HG2 ILE 81 -9.428 4.177 7.154 642 HG23 ILE 81 3HG2 ILE 81 -10.777 3.771 8.214 643 HD11 ILE 81 3HD1 ILE 81 -9.862 1.046 8.779 644 HD12 ILE 81 1HD1 ILE 81 -11.491 0.662 9.337 645 HD13 ILE 81 2HD1 ILE 81 -10.661 -0.424 8.222 646 H LEU 82 H LEU 82 -9.113 2.517 3.892 647 HA LEU 82 HA LEU 82 -7.531 4.794 4.192 648 HB2 LEU 82 1HB LEU 82 -7.790 2.840 1.921 649 HB3 LEU 82 2HB LEU 82 -6.580 4.121 1.949 650 HG LEU 82 HG LEU 82 -6.788 1.955 4.037 651 HD11 LEU 82 1HD1 LEU 82 -5.797 1.821 1.353 652 HD12 LEU 82 2HD1 LEU 82 -5.859 0.562 2.586 653 HD13 LEU 82 3HD1 LEU 82 -4.466 1.639 2.496 654 HD21 LEU 82 3HD2 LEU 82 -4.255 3.344 3.554 655 HD22 LEU 82 1HD2 LEU 82 -5.053 2.928 5.069 656 HD23 LEU 82 2HD2 LEU 82 -5.541 4.373 4.184 657 H LYS 83 H LYS 83 -10.191 4.121 1.988 658 HA LYS 83 HA LYS 83 -9.859 6.429 0.371 659 HB2 LYS 83 1HB LYS 83 -12.266 4.676 0.879 660 HB3 LYS 83 2HB LYS 83 -12.226 5.962 -0.320 661 HG2 LYS 83 1HG LYS 83 -10.796 4.815 -1.704 662 HG3 LYS 83 2HG LYS 83 -10.140 3.834 -0.391 663 HD2 LYS 83 1HD LYS 83 -12.068 2.469 -0.319 664 HD3 LYS 83 2HD LYS 83 -12.991 3.590 -1.325 665 HE2 LYS 83 1HE LYS 83 -11.045 3.076 -3.042 666 HE3 LYS 83 2HE LYS 83 -10.922 1.595 -2.094 667 HZ1 LYS 83 3HZ LYS 83 -12.921 2.385 -3.992 668 HZ2 LYS 83 1HZ LYS 83 -13.588 1.852 -2.531 669 HZ3 LYS 83 2HZ LYS 83 -12.542 0.845 -3.400 670 H LYS 84 H LYS 84 -12.036 5.700 3.089 671 HA LYS 84 HA LYS 84 -13.571 7.889 3.303 672 HB2 LYS 84 1HB LYS 84 -13.387 5.975 4.949 673 HB3 LYS 84 2HB LYS 84 -12.039 6.836 5.681 674 HG2 LYS 84 1HG LYS 84 -13.432 8.631 6.349 675 HG3 LYS 84 2HG LYS 84 -14.776 8.038 5.370 676 HD2 LYS 84 1HD LYS 84 -15.318 7.406 7.562 677 HD3 LYS 84 2HD LYS 84 -14.672 5.938 6.827 678 HE2 LYS 84 1HE LYS 84 -13.697 6.107 8.981 679 HE3 LYS 84 2HE LYS 84 -12.444 6.550 7.822 680 HZ1 LYS 84 3HZ LYS 84 -13.587 8.925 8.378 681 HZ2 LYS 84 1HZ LYS 84 -12.191 8.329 9.126 682 HZ3 LYS 84 2HZ LYS 84 -13.696 8.141 9.873 683 H GLU 85 H GLU 85 -10.121 7.812 3.708 684 HA GLU 85 HA GLU 85 -10.074 10.570 4.676 685 HB2 GLU 85 1HB GLU 85 -7.804 8.620 4.244 686 HB3 GLU 85 2HB GLU 85 -7.663 10.212 4.977 687 HG2 GLU 85 1HG GLU 85 -9.440 8.079 6.112 688 HG3 GLU 85 2HG GLU 85 -7.737 8.222 6.541 689 H ARG 86 H ARG 86 -9.100 8.613 1.911 690 HA ARG 86 HA ARG 86 -7.653 10.531 0.495 691 HB2 ARG 86 1HB ARG 86 -7.701 9.064 -1.269 692 HB3 ARG 86 2HB ARG 86 -8.126 7.975 0.044 693 HG2 ARG 86 1HG ARG 86 -10.464 8.129 -0.528 694 HG3 ARG 86 2HG ARG 86 -10.109 9.330 -1.771 695 HD2 ARG 86 1HD ARG 86 -8.925 7.736 -3.084 696 HD3 ARG 86 2HD ARG 86 -8.953 6.551 -1.779 697 HE ARG 86 HE ARG 86 -11.586 7.063 -2.321 698 HH11 ARG 86 1HH1 ARG 86 -8.839 5.960 -4.155 699 HH12 ARG 86 2HH1 ARG 86 -9.787 5.010 -5.250 700 HH21 ARG 86 1HH2 ARG 86 -12.845 5.816 -3.757 701 HH22 ARG 86 2HH2 ARG 86 -12.066 4.929 -5.024 702 H SER 87 H SER 87 -11.099 10.060 0.844 703 HA SER 87 HA SER 87 -11.538 12.578 -0.596 704 HB2 SER 87 1HB SER 87 -12.060 10.368 -1.937 705 HB3 SER 87 2HB SER 87 -13.524 10.365 -0.954 706 HG SER 87 HG SER 87 -13.792 11.492 -2.940 707 H GLU 88 H GLU 88 -13.504 13.671 -0.020 708 HA GLU 88 HA GLU 88 -14.718 12.737 2.492 709 HB2 GLU 88 1HB GLU 88 -14.822 15.197 3.147 710 HB3 GLU 88 2HB GLU 88 -13.245 14.425 3.225 711 HG2 GLU 88 1HG GLU 88 -12.883 15.368 0.872 712 HG3 GLU 88 2HG GLU 88 -14.269 16.398 1.221 713 H SER 89 H SER 89 -15.036 15.135 -0.124 714 HA SER 89 HA SER 89 -17.716 15.745 0.194 715 HB2 SER 89 1HB SER 89 -16.213 16.952 -1.342 716 HB3 SER 89 2HB SER 89 -16.185 15.551 -2.412 717 HG SER 89 HG SER 89 -18.592 16.835 -1.672 718 H GLY 90 H GLY 90 -16.231 13.067 -1.575 719 HA2 GLY 90 1HA GLY 90 -17.133 11.003 -2.102 720 HA3 GLY 90 2HA GLY 90 -18.620 11.493 -1.306 721 HA PRO 91 HA PRO 91 -19.225 11.329 -5.949 722 HB2 PRO 91 1HB PRO 91 -21.281 9.557 -5.902 723 HB3 PRO 91 2HB PRO 91 -19.586 9.060 -5.984 724 HG2 PRO 91 1HG PRO 91 -21.411 9.184 -3.614 725 HG3 PRO 91 2HG PRO 91 -20.250 7.922 -4.068 726 HD2 PRO 91 1HD PRO 91 -19.710 9.790 -2.183 727 HD3 PRO 91 2HD PRO 91 -18.453 9.099 -3.229 728 H SER 92 H SER 92 -21.433 11.515 -3.210 729 HA SER 92 HA SER 92 -22.904 13.631 -4.597 730 HB2 SER 92 1HB SER 92 -24.211 11.255 -3.251 731 HB3 SER 92 2HB SER 92 -25.068 12.682 -3.832 732 HG SER 92 HG SER 92 -23.999 10.558 -5.238 733 H SER 93 H SER 93 -24.600 14.563 -2.936 734 HA SER 93 HA SER 93 -23.482 14.609 -0.232 735 HB2 SER 93 1HB SER 93 -23.605 17.107 -0.213 736 HB3 SER 93 2HB SER 93 -22.380 16.472 -1.312 737 HG SER 93 HG SER 93 -24.999 17.217 -2.112 738 H GLY 94 H GLY 94 -24.992 14.738 1.332 739 HA2 GLY 94 1HA GLY 94 -27.716 14.378 0.700 740 HA3 GLY 94 2HA GLY 94 -27.074 14.714 2.300 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -4.538 6.348 29.012 2 HA2 GLY 1 1HA GLY 1 -2.905 4.733 30.707 3 HA3 GLY 1 2HA GLY 1 -4.596 4.451 30.318 4 H SER 2 H SER 2 -5.035 3.505 28.149 5 HA SER 2 HA SER 2 -3.127 1.354 27.664 6 HB2 SER 2 1HB SER 2 -5.507 0.785 27.989 7 HB3 SER 2 2HB SER 2 -5.926 1.755 26.578 8 HG SER 2 HG SER 2 -4.224 0.251 25.560 9 H SER 3 H SER 3 -5.058 3.597 25.670 10 HA SER 3 HA SER 3 -3.262 3.189 23.425 11 HB2 SER 3 1HB SER 3 -5.548 3.298 22.801 12 HB3 SER 3 2HB SER 3 -5.827 4.738 23.781 13 HG SER 3 HG SER 3 -4.762 4.498 21.244 14 H GLY 4 H GLY 4 -1.646 4.502 22.854 15 HA2 GLY 4 1HA GLY 4 -1.235 6.930 24.450 16 HA3 GLY 4 2HA GLY 4 -0.004 6.087 23.521 17 H SER 5 H SER 5 0.628 7.069 21.730 18 HA SER 5 HA SER 5 -1.028 9.206 20.629 19 HB2 SER 5 1HB SER 5 1.871 8.462 20.396 20 HB3 SER 5 2HB SER 5 1.135 9.518 19.190 21 HG SER 5 HG SER 5 0.761 10.075 21.914 22 H SER 6 H SER 6 -2.185 8.976 18.837 23 HA SER 6 HA SER 6 -2.397 6.516 17.482 24 HB2 SER 6 1HB SER 6 -3.471 9.273 17.038 25 HB3 SER 6 2HB SER 6 -3.614 8.088 15.739 26 HG SER 6 HG SER 6 -5.409 8.164 17.259 27 H GLY 7 H GLY 7 -1.126 9.641 16.304 28 HA2 GLY 7 1HA GLY 7 0.255 10.109 14.518 29 HA3 GLY 7 2HA GLY 7 1.214 8.797 15.185 30 H ILE 8 H ILE 8 -1.984 8.660 13.667 31 HA ILE 8 HA ILE 8 -0.967 6.622 11.841 32 HB ILE 8 HB ILE 8 -3.812 7.538 12.277 33 HG12 ILE 8 1HG1 ILE 8 -2.556 4.980 13.266 34 HG13 ILE 8 2HG1 ILE 8 -2.594 6.442 14.245 35 HG21 ILE 8 1HG2 ILE 8 -2.788 6.165 10.146 36 HG22 ILE 8 2HG2 ILE 8 -3.322 4.863 11.209 37 HG23 ILE 8 3HG2 ILE 8 -4.465 6.102 10.689 38 HD11 ILE 8 3HD1 ILE 8 -5.150 5.503 13.082 39 HD12 ILE 8 1HD1 ILE 8 -4.457 4.577 14.413 40 HD13 ILE 8 2HD1 ILE 8 -4.824 6.289 14.625 41 H VAL 9 H VAL 9 -0.514 7.024 9.781 42 HA VAL 9 HA VAL 9 -1.766 9.338 8.469 43 HB VAL 9 HB VAL 9 0.565 9.893 9.203 44 HG11 VAL 9 1HG1 VAL 9 1.576 7.700 8.924 45 HG12 VAL 9 2HG1 VAL 9 1.310 7.781 7.182 46 HG13 VAL 9 3HG1 VAL 9 2.432 8.900 7.956 47 HG21 VAL 9 3HG2 VAL 9 -0.465 11.087 7.364 48 HG22 VAL 9 1HG2 VAL 9 1.247 10.831 7.026 49 HG23 VAL 9 2HG2 VAL 9 0.032 9.828 6.234 50 H LEU 10 H LEU 10 -1.989 9.178 6.205 51 HA LEU 10 HA LEU 10 -2.809 6.789 5.169 52 HB2 LEU 10 1HB LEU 10 -1.455 8.786 3.398 53 HB3 LEU 10 2HB LEU 10 -2.878 7.798 3.071 54 HG LEU 10 HG LEU 10 -3.889 9.298 5.020 55 HD11 LEU 10 1HD1 LEU 10 -2.719 11.094 5.575 56 HD12 LEU 10 2HD1 LEU 10 -2.597 11.581 3.884 57 HD13 LEU 10 3HD1 LEU 10 -1.386 10.505 4.582 58 HD21 LEU 10 3HD2 LEU 10 -3.604 9.942 2.098 59 HD22 LEU 10 1HD2 LEU 10 -4.622 10.892 3.180 60 HD23 LEU 10 2HD2 LEU 10 -4.960 9.180 2.930 61 H LEU 11 H LEU 11 0.452 8.009 5.383 62 HA LEU 11 HA LEU 11 1.703 6.293 3.550 63 HB2 LEU 11 1HB LEU 11 2.574 8.349 4.939 64 HB3 LEU 11 2HB LEU 11 3.081 7.094 6.067 65 HG LEU 11 HG LEU 11 4.888 7.824 4.559 66 HD11 LEU 11 1HD1 LEU 11 4.716 5.174 3.521 67 HD12 LEU 11 2HD1 LEU 11 4.083 5.189 5.166 68 HD13 LEU 11 3HD1 LEU 11 5.710 5.787 4.842 69 HD21 LEU 11 3HD2 LEU 11 3.640 6.413 2.269 70 HD22 LEU 11 1HD2 LEU 11 4.779 7.759 2.290 71 HD23 LEU 11 2HD2 LEU 11 3.071 8.044 2.630 72 H ARG 12 H ARG 12 0.949 5.899 6.981 73 HA ARG 12 HA ARG 12 2.314 3.550 7.510 74 HB2 ARG 12 1HB ARG 12 -0.188 4.776 8.593 75 HB3 ARG 12 2HB ARG 12 0.235 3.140 9.079 76 HG2 ARG 12 1HG ARG 12 2.575 4.285 9.556 77 HG3 ARG 12 2HG ARG 12 1.554 5.715 9.719 78 HD2 ARG 12 1HD ARG 12 1.931 4.535 11.861 79 HD3 ARG 12 2HD ARG 12 0.229 4.635 11.414 80 HE ARG 12 HE ARG 12 1.299 2.209 10.476 81 HH11 ARG 12 1HH1 ARG 12 0.413 3.796 13.445 82 HH12 ARG 12 2HH1 ARG 12 0.059 2.320 14.281 83 HH21 ARG 12 1HH2 ARG 12 0.837 0.259 11.565 84 HH22 ARG 12 2HH2 ARG 12 0.302 0.309 13.211 85 H GLY 13 H GLY 13 -0.433 4.062 5.503 86 HA2 GLY 13 1HA GLY 13 -1.894 1.799 5.491 87 HA3 GLY 13 2HA GLY 13 -1.400 2.587 4.000 88 H LEU 14 H LEU 14 1.467 2.005 4.629 89 HA LEU 14 HA LEU 14 1.520 -0.617 3.409 90 HB2 LEU 14 1HB LEU 14 3.851 1.099 4.235 91 HB3 LEU 14 2HB LEU 14 3.864 -0.245 3.094 92 HG LEU 14 HG LEU 14 2.324 2.294 2.600 93 HD11 LEU 14 1HD1 LEU 14 4.933 1.765 1.277 94 HD12 LEU 14 2HD1 LEU 14 4.937 2.429 2.910 95 HD13 LEU 14 3HD1 LEU 14 4.121 3.294 1.609 96 HD21 LEU 14 3HD2 LEU 14 3.183 -0.038 0.905 97 HD22 LEU 14 1HD2 LEU 14 2.629 1.490 0.223 98 HD23 LEU 14 2HD2 LEU 14 1.546 0.531 1.231 99 H GLU 15 H GLU 15 2.891 0.876 6.339 100 HA GLU 15 HA GLU 15 4.028 -1.423 7.428 101 HB2 GLU 15 1HB GLU 15 2.945 1.087 8.688 102 HB3 GLU 15 2HB GLU 15 3.659 -0.196 9.655 103 HG2 GLU 15 1HG GLU 15 5.764 0.051 8.535 104 HG3 GLU 15 2HG GLU 15 5.069 1.206 7.398 105 H CYS 16 H CYS 16 0.735 -0.190 7.617 106 HA CYS 16 HA CYS 16 -0.373 -1.657 9.623 107 HB2 CYS 16 1HB CYS 16 -1.730 -0.104 8.411 108 HB3 CYS 16 2HB CYS 16 -1.514 -0.993 6.908 109 HG CYS 16 HG CYS 16 -3.196 -2.256 9.606 110 H ILE 17 H ILE 17 -0.117 -2.759 6.240 111 HA ILE 17 HA ILE 17 -0.993 -5.399 6.811 112 HB ILE 17 HB ILE 17 0.008 -5.922 4.536 113 HG12 ILE 17 1HG1 ILE 17 0.350 -2.923 4.396 114 HG13 ILE 17 2HG1 ILE 17 1.685 -4.035 4.676 115 HG21 ILE 17 1HG2 ILE 17 -1.672 -3.978 3.566 116 HG22 ILE 17 2HG2 ILE 17 -2.161 -5.573 4.135 117 HG23 ILE 17 3HG2 ILE 17 -2.229 -4.190 5.226 118 HD11 ILE 17 3HD1 ILE 17 1.020 -5.151 2.505 119 HD12 ILE 17 1HD1 ILE 17 -0.017 -3.752 2.224 120 HD13 ILE 17 2HD1 ILE 17 1.727 -3.540 2.386 121 H ASN 18 H ASN 18 0.120 -7.238 7.248 122 HA ASN 18 HA ASN 18 2.650 -7.054 8.470 123 HB2 ASN 18 1HB ASN 18 1.328 -9.561 7.416 124 HB3 ASN 18 2HB ASN 18 2.548 -9.459 8.681 125 HD21 ASN 18 1HD2 ASN 18 1.962 -8.416 10.672 126 HD22 ASN 18 2HD2 ASN 18 0.317 -8.435 11.199 127 H LYS 19 H LYS 19 4.637 -8.103 7.839 128 HA LYS 19 HA LYS 19 5.589 -7.359 5.350 129 HB2 LYS 19 1HB LYS 19 6.547 -9.349 7.383 130 HB3 LYS 19 2HB LYS 19 7.396 -9.162 5.854 131 HG2 LYS 19 1HG LYS 19 6.813 -6.756 7.518 132 HG3 LYS 19 2HG LYS 19 8.154 -7.821 7.948 133 HD2 LYS 19 1HD LYS 19 8.899 -7.578 5.518 134 HD3 LYS 19 2HD LYS 19 7.754 -6.238 5.424 135 HE2 LYS 19 1HE LYS 19 9.712 -6.294 7.666 136 HE3 LYS 19 2HE LYS 19 10.281 -5.843 6.060 137 HZ1 LYS 19 3HZ LYS 19 9.255 -3.879 6.172 138 HZ2 LYS 19 1HZ LYS 19 9.170 -4.151 7.839 139 HZ3 LYS 19 2HZ LYS 19 7.847 -4.523 6.852 140 H HIS 20 H HIS 20 3.659 -10.053 6.183 141 HA HIS 20 HA HIS 20 4.418 -11.890 4.195 142 HB2 HIS 20 1HB HIS 20 3.054 -12.839 5.803 143 HB3 HIS 20 2HB HIS 20 1.958 -11.461 5.840 144 HD1 HIS 20 HD1 HIS 20 2.706 -14.575 3.876 145 HD2 HIS 20 HD2 HIS 20 -0.183 -11.597 4.086 146 HE1 HIS 20 HE1 HIS 20 0.806 -15.379 2.439 147 HE2 HIS 20 HE2 HIS 20 -0.894 -13.523 2.512 148 H TYR 21 H TYR 21 1.606 -9.691 4.211 149 HA TYR 21 HA TYR 21 1.057 -10.096 1.449 150 HB2 TYR 21 1HB TYR 21 0.042 -8.238 3.565 151 HB3 TYR 21 2HB TYR 21 -0.348 -7.913 1.879 152 HD1 TYR 21 HD1 TYR 21 -1.022 -10.309 0.633 153 HD2 TYR 21 HD2 TYR 21 -1.669 -9.261 4.706 154 HE1 TYR 21 HE1 TYR 21 -2.876 -11.922 0.748 155 HE2 TYR 21 HE2 TYR 21 -3.524 -10.872 4.831 156 HH TYR 21 HH TYR 21 -4.111 -13.194 2.388 157 H PHE 22 H PHE 22 2.664 -7.527 3.282 158 HA PHE 22 HA PHE 22 3.027 -5.580 1.431 159 HB2 PHE 22 1HB PHE 22 3.903 -5.489 3.740 160 HB3 PHE 22 2HB PHE 22 5.178 -6.616 3.289 161 HD1 PHE 22 HD1 PHE 22 3.802 -3.599 1.587 162 HD2 PHE 22 HD2 PHE 22 7.185 -5.497 3.337 163 HE1 PHE 22 HE1 PHE 22 5.216 -1.710 0.891 164 HE2 PHE 22 HE2 PHE 22 8.605 -3.611 2.645 165 HZ PHE 22 HZ PHE 22 7.621 -1.713 1.421 166 H SER 23 H SER 23 4.760 -8.643 1.610 167 HA SER 23 HA SER 23 6.779 -8.209 -0.224 168 HB2 SER 23 1HB SER 23 6.496 -10.272 1.151 169 HB3 SER 23 2HB SER 23 5.193 -10.771 0.073 170 HG SER 23 HG SER 23 7.604 -11.414 -0.267 171 H LEU 24 H LEU 24 3.454 -9.294 -0.846 172 HA LEU 24 HA LEU 24 3.666 -9.630 -3.609 173 HB2 LEU 24 1HB LEU 24 1.329 -8.851 -1.881 174 HB3 LEU 24 2HB LEU 24 1.183 -9.191 -3.605 175 HG LEU 24 HG LEU 24 2.206 -11.482 -3.021 176 HD11 LEU 24 1HD1 LEU 24 1.176 -11.880 -0.529 177 HD12 LEU 24 2HD1 LEU 24 1.886 -10.273 -0.378 178 HD13 LEU 24 3HD1 LEU 24 2.884 -11.632 -0.895 179 HD21 LEU 24 3HD2 LEU 24 -0.211 -10.871 -3.616 180 HD22 LEU 24 1HD2 LEU 24 -0.530 -11.009 -1.887 181 HD23 LEU 24 2HD2 LEU 24 0.072 -12.402 -2.785 182 H PHE 25 H PHE 25 2.409 -6.804 -1.830 183 HA PHE 25 HA PHE 25 1.863 -5.085 -3.850 184 HB2 PHE 25 1HB PHE 25 1.672 -4.622 -1.382 185 HB3 PHE 25 2HB PHE 25 3.392 -4.247 -1.382 186 HD1 PHE 25 HD1 PHE 25 0.501 -3.370 -3.579 187 HD2 PHE 25 HD2 PHE 25 3.796 -2.001 -1.258 188 HE1 PHE 25 HE1 PHE 25 -0.010 -1.052 -4.228 189 HE2 PHE 25 HE2 PHE 25 3.290 0.320 -1.902 190 HZ PHE 25 HZ PHE 25 1.385 0.797 -3.388 191 H LYS 26 H LYS 26 5.083 -5.579 -2.426 192 HA LYS 26 HA LYS 26 6.479 -3.770 -4.034 193 HB2 LYS 26 1HB LYS 26 7.235 -6.195 -2.460 194 HB3 LYS 26 2HB LYS 26 8.420 -5.501 -3.560 195 HG2 LYS 26 1HG LYS 26 8.317 -3.387 -2.408 196 HG3 LYS 26 2HG LYS 26 7.027 -3.985 -1.363 197 HD2 LYS 26 1HD LYS 26 9.781 -5.202 -1.507 198 HD3 LYS 26 2HD LYS 26 9.299 -3.992 -0.317 199 HE2 LYS 26 1HE LYS 26 7.535 -5.498 0.483 200 HE3 LYS 26 2HE LYS 26 8.036 -6.707 -0.698 201 HZ1 LYS 26 3HZ LYS 26 9.949 -7.168 0.450 202 HZ2 LYS 26 1HZ LYS 26 8.900 -6.821 1.731 203 HZ3 LYS 26 2HZ LYS 26 10.011 -5.657 1.208 204 H SER 27 H SER 27 5.615 -7.146 -4.573 205 HA SER 27 HA SER 27 7.152 -7.507 -6.921 206 HB2 SER 27 1HB SER 27 6.093 -9.312 -5.448 207 HB3 SER 27 2HB SER 27 4.587 -8.970 -6.298 208 HG SER 27 HG SER 27 5.362 -10.391 -7.653 209 H LEU 28 H LEU 28 4.025 -6.114 -6.302 210 HA LEU 28 HA LEU 28 3.187 -6.143 -9.055 211 HB2 LEU 28 1HB LEU 28 2.081 -4.585 -6.724 212 HB3 LEU 28 2HB LEU 28 1.298 -4.820 -8.286 213 HG LEU 28 HG LEU 28 1.961 -7.130 -6.481 214 HD11 LEU 28 1HD1 LEU 28 0.526 -6.228 -5.011 215 HD12 LEU 28 2HD1 LEU 28 -0.703 -6.774 -6.152 216 HD13 LEU 28 3HD1 LEU 28 -0.143 -5.102 -6.193 217 HD21 LEU 28 3HD2 LEU 28 1.369 -8.100 -8.438 218 HD22 LEU 28 1HD2 LEU 28 0.458 -6.694 -8.988 219 HD23 LEU 28 2HD2 LEU 28 -0.258 -7.808 -7.821 220 H LEU 29 H LEU 29 4.699 -3.863 -6.853 221 HA LEU 29 HA LEU 29 4.592 -1.716 -8.806 222 HB2 LEU 29 1HB LEU 29 5.443 -1.981 -5.967 223 HB3 LEU 29 2HB LEU 29 6.123 -0.665 -6.924 224 HG LEU 29 HG LEU 29 4.225 0.112 -5.636 225 HD11 LEU 29 1HD1 LEU 29 3.484 1.435 -7.284 226 HD12 LEU 29 2HD1 LEU 29 2.952 0.076 -8.273 227 HD13 LEU 29 3HD1 LEU 29 4.647 0.564 -8.284 228 HD21 LEU 29 3HD2 LEU 29 2.305 -1.003 -5.386 229 HD22 LEU 29 1HD2 LEU 29 3.169 -2.382 -6.068 230 HD23 LEU 29 2HD2 LEU 29 2.181 -1.356 -7.110 231 H ALA 30 H ALA 30 6.749 -4.199 -7.784 232 HA ALA 30 HA ALA 30 9.266 -3.404 -8.168 233 HB1 ALA 30 3HB ALA 30 8.254 -5.803 -9.669 234 HB2 ALA 30 1HB ALA 30 9.836 -5.560 -8.927 235 HB3 ALA 30 2HB ALA 30 8.410 -5.776 -7.912 236 H ARG 31 H ARG 31 7.045 -4.099 -10.864 237 HA ARG 31 HA ARG 31 8.749 -3.562 -12.976 238 HB2 ARG 31 1HB ARG 31 6.628 -2.905 -14.214 239 HB3 ARG 31 2HB ARG 31 6.642 -4.504 -13.481 240 HG2 ARG 31 1HG ARG 31 5.551 -3.123 -11.470 241 HG3 ARG 31 2HG ARG 31 5.020 -2.127 -12.826 242 HD2 ARG 31 1HD ARG 31 4.707 -5.071 -13.058 243 HD3 ARG 31 2HD ARG 31 3.620 -4.213 -11.967 244 HE ARG 31 HE ARG 31 3.565 -2.799 -14.323 245 HH11 ARG 31 1HH1 ARG 31 2.866 -6.061 -13.328 246 HH12 ARG 31 2HH1 ARG 31 1.657 -6.311 -14.543 247 HH21 ARG 31 1HH2 ARG 31 1.976 -3.116 -15.928 248 HH22 ARG 31 2HH2 ARG 31 1.153 -4.637 -16.022 249 H ASP 32 H ASP 32 6.373 -1.271 -11.613 250 HA ASP 32 HA ASP 32 7.375 0.974 -12.982 251 HB2 ASP 32 1HB ASP 32 5.550 0.557 -10.655 252 HB3 ASP 32 2HB ASP 32 6.163 2.180 -10.961 253 H LEU 33 H LEU 33 7.634 0.258 -9.494 254 HA LEU 33 HA LEU 33 9.503 2.222 -8.886 255 HB2 LEU 33 1HB LEU 33 8.975 -0.460 -7.630 256 HB3 LEU 33 2HB LEU 33 10.103 0.710 -6.949 257 HG LEU 33 HG LEU 33 7.122 1.033 -7.267 258 HD11 LEU 33 1HD1 LEU 33 8.664 1.201 -4.714 259 HD12 LEU 33 2HD1 LEU 33 8.206 -0.369 -5.370 260 HD13 LEU 33 3HD1 LEU 33 6.963 0.817 -4.975 261 HD21 LEU 33 3HD2 LEU 33 7.631 3.211 -7.498 262 HD22 LEU 33 1HD2 LEU 33 9.274 3.001 -6.889 263 HD23 LEU 33 2HD2 LEU 33 7.925 3.133 -5.760 264 H ASN 34 H ASN 34 9.915 -0.799 -10.498 265 HA ASN 34 HA ASN 34 11.712 -1.690 -11.585 266 HB2 ASN 34 1HB ASN 34 12.241 0.793 -11.981 267 HB3 ASN 34 2HB ASN 34 13.387 0.635 -10.655 268 HD21 ASN 34 1HD2 ASN 34 12.552 -0.507 -13.859 269 HD22 ASN 34 2HD2 ASN 34 14.134 -1.064 -14.278 270 H LEU 35 H LEU 35 11.091 -2.329 -8.868 271 HA LEU 35 HA LEU 35 13.484 -2.500 -7.325 272 HB2 LEU 35 1HB LEU 35 11.049 -4.228 -6.997 273 HB3 LEU 35 2HB LEU 35 12.221 -3.755 -5.770 274 HG LEU 35 HG LEU 35 10.360 -1.802 -7.112 275 HD11 LEU 35 1HD1 LEU 35 9.357 -2.045 -4.636 276 HD12 LEU 35 2HD1 LEU 35 9.891 -3.703 -4.905 277 HD13 LEU 35 3HD1 LEU 35 8.753 -2.952 -6.023 278 HD21 LEU 35 3HD2 LEU 35 10.993 -0.302 -5.415 279 HD22 LEU 35 1HD2 LEU 35 12.498 -1.036 -5.967 280 HD23 LEU 35 2HD2 LEU 35 11.757 -1.573 -4.460 281 H GLU 36 H GLU 36 14.249 -4.704 -6.518 282 HA GLU 36 HA GLU 36 14.795 -6.357 -8.869 283 HB2 GLU 36 1HB GLU 36 16.146 -6.049 -6.197 284 HB3 GLU 36 2HB GLU 36 16.516 -7.398 -7.264 285 HG2 GLU 36 1HG GLU 36 17.468 -6.030 -8.876 286 HG3 GLU 36 2HG GLU 36 16.668 -4.585 -8.262 287 H ARG 37 H ARG 37 13.093 -7.732 -9.091 288 HA ARG 37 HA ARG 37 11.412 -8.877 -7.361 289 HB2 ARG 37 1HB ARG 37 12.838 -10.343 -9.589 290 HB3 ARG 37 2HB ARG 37 11.367 -10.898 -8.799 291 HG2 ARG 37 1HG ARG 37 10.247 -8.812 -9.563 292 HG3 ARG 37 2HG ARG 37 11.706 -8.425 -10.477 293 HD2 ARG 37 1HD ARG 37 11.413 -10.215 -11.937 294 HD3 ARG 37 2HD ARG 37 10.329 -11.059 -10.832 295 HE ARG 37 HE ARG 37 8.571 -9.846 -11.674 296 HH11 ARG 37 1HH1 ARG 37 11.572 -8.417 -12.712 297 HH12 ARG 37 2HH1 ARG 37 10.818 -7.325 -13.825 298 HH21 ARG 37 1HH2 ARG 37 7.567 -8.413 -13.137 299 HH22 ARG 37 2HH2 ARG 37 8.540 -7.323 -14.065 300 H ASP 38 H ASP 38 14.807 -9.634 -7.632 301 HA ASP 38 HA ASP 38 14.591 -11.872 -5.783 302 HB2 ASP 38 1HB ASP 38 16.155 -11.796 -7.817 303 HB3 ASP 38 2HB ASP 38 17.151 -10.702 -6.861 304 H ASN 39 H ASN 39 16.232 -8.715 -5.930 305 HA ASN 39 HA ASN 39 16.842 -8.867 -3.089 306 HB2 ASN 39 1HB ASN 39 18.322 -7.889 -5.065 307 HB3 ASN 39 2HB ASN 39 17.413 -6.424 -4.705 308 HD21 ASN 39 1HD2 ASN 39 17.208 -6.187 -2.152 309 HD22 ASN 39 2HD2 ASN 39 18.731 -6.240 -1.338 310 H GLN 40 H GLN 40 14.102 -8.797 -3.654 311 HA GLN 40 HA GLN 40 13.188 -6.076 -3.234 312 HB2 GLN 40 1HB GLN 40 11.936 -8.673 -3.896 313 HB3 GLN 40 2HB GLN 40 10.953 -7.567 -2.945 314 HG2 GLN 40 1HG GLN 40 11.040 -5.902 -4.623 315 HG3 GLN 40 2HG GLN 40 12.296 -6.765 -5.508 316 HE21 GLN 40 1HE2 GLN 40 10.630 -6.320 -7.224 317 HE22 GLN 40 2HE2 GLN 40 9.429 -7.537 -7.478 318 H GLU 41 H GLU 41 14.107 -8.755 -1.347 319 HA GLU 41 HA GLU 41 12.437 -8.385 0.903 320 HB2 GLU 41 1HB GLU 41 13.849 -10.416 0.391 321 HB3 GLU 41 2HB GLU 41 15.245 -9.491 0.922 322 HG2 GLU 41 1HG GLU 41 14.485 -10.911 2.704 323 HG3 GLU 41 2HG GLU 41 14.208 -9.223 3.131 324 H GLN 42 H GLN 42 15.641 -7.129 0.069 325 HA GLN 42 HA GLN 42 16.293 -5.868 2.440 326 HB2 GLN 42 1HB GLN 42 17.931 -4.756 1.261 327 HB3 GLN 42 2HB GLN 42 17.585 -6.089 0.168 328 HG2 GLN 42 1HG GLN 42 16.072 -4.595 -1.099 329 HG3 GLN 42 2HG GLN 42 16.566 -3.267 -0.052 330 HE21 GLN 42 1HE2 GLN 42 16.953 -4.232 -3.009 331 HE22 GLN 42 2HE2 GLN 42 18.612 -3.851 -3.303 332 H TYR 43 H TYR 43 14.251 -4.712 -0.201 333 HA TYR 43 HA TYR 43 13.859 -2.103 0.825 334 HB2 TYR 43 1HB TYR 43 12.219 -3.766 -1.093 335 HB3 TYR 43 2HB TYR 43 11.876 -2.080 -0.725 336 HD1 TYR 43 HD1 TYR 43 14.214 -0.606 -0.856 337 HD2 TYR 43 HD2 TYR 43 13.261 -4.083 -3.116 338 HE1 TYR 43 HE1 TYR 43 15.797 0.101 -2.600 339 HE2 TYR 43 HE2 TYR 43 14.843 -3.386 -4.866 340 HH TYR 43 HH TYR 43 17.199 -1.375 -4.522 341 H THR 44 H THR 44 12.350 -1.269 2.179 342 HA THR 44 HA THR 44 10.412 -3.144 3.368 343 HB THR 44 HB THR 44 10.711 -2.074 5.540 344 HG1 THR 44 HG1 THR 44 11.601 -0.065 4.325 345 HG21 THR 44 3HG2 THR 44 13.410 -2.852 4.436 346 HG22 THR 44 1HG2 THR 44 12.151 -4.010 4.867 347 HG23 THR 44 2HG2 THR 44 12.860 -2.974 6.107 348 H THR 45 H THR 45 8.638 -1.949 4.566 349 HA THR 45 HA THR 45 7.085 -0.467 2.889 350 HB THR 45 HB THR 45 5.840 0.338 4.861 351 HG1 THR 45 HG1 THR 45 7.713 -0.990 6.510 352 HG21 THR 45 3HG2 THR 45 5.325 -1.877 4.132 353 HG22 THR 45 1HG2 THR 45 5.415 -1.915 5.891 354 HG23 THR 45 2HG2 THR 45 6.754 -2.535 4.927 355 H ILE 46 H ILE 46 9.779 0.639 4.762 356 HA ILE 46 HA ILE 46 9.140 3.429 4.619 357 HB ILE 46 HB ILE 46 11.669 1.956 5.331 358 HG12 ILE 46 1HG1 ILE 46 9.878 1.851 6.986 359 HG13 ILE 46 2HG1 ILE 46 11.190 2.865 7.579 360 HG21 ILE 46 1HG2 ILE 46 12.576 4.147 6.034 361 HG22 ILE 46 2HG2 ILE 46 12.347 4.020 4.291 362 HG23 ILE 46 3HG2 ILE 46 11.195 4.932 5.267 363 HD11 ILE 46 3HD1 ILE 46 9.418 4.578 6.244 364 HD12 ILE 46 1HD1 ILE 46 8.428 3.498 7.226 365 HD13 ILE 46 2HD1 ILE 46 9.707 4.450 7.979 366 H GLN 47 H GLN 47 11.863 1.618 3.187 367 HA GLN 47 HA GLN 47 12.697 3.536 1.395 368 HB2 GLN 47 1HB GLN 47 12.719 0.540 0.992 369 HB3 GLN 47 2HB GLN 47 13.699 1.696 0.101 370 HG2 GLN 47 1HG GLN 47 14.475 2.370 2.534 371 HG3 GLN 47 2HG GLN 47 13.975 0.716 2.886 372 HE21 GLN 47 1HE2 GLN 47 15.773 -0.429 3.046 373 HE22 GLN 47 2HE2 GLN 47 17.064 -0.450 1.898 374 H ILE 48 H ILE 48 10.391 0.893 0.775 375 HA ILE 48 HA ILE 48 9.802 1.493 -1.873 376 HB ILE 48 HB ILE 48 7.951 0.350 0.222 377 HG12 ILE 48 1HG1 ILE 48 9.990 -0.966 -0.059 378 HG13 ILE 48 2HG1 ILE 48 8.612 -1.824 -0.742 379 HG21 ILE 48 1HG2 ILE 48 7.447 1.141 -2.469 380 HG22 ILE 48 2HG2 ILE 48 7.356 -0.617 -2.363 381 HG23 ILE 48 3HG2 ILE 48 6.351 0.383 -1.313 382 HD11 ILE 48 3HD1 ILE 48 10.855 -0.445 -2.163 383 HD12 ILE 48 1HD1 ILE 48 10.320 -2.120 -2.293 384 HD13 ILE 48 2HD1 ILE 48 9.337 -0.826 -2.977 385 H ALA 49 H ALA 49 8.311 2.729 1.097 386 HA ALA 49 HA ALA 49 6.226 4.188 0.011 387 HB1 ALA 49 3HB ALA 49 6.440 5.641 2.028 388 HB2 ALA 49 1HB ALA 49 6.398 3.913 2.380 389 HB3 ALA 49 2HB ALA 49 7.930 4.786 2.423 390 H ASN 50 H ASN 50 9.394 5.547 0.949 391 HA ASN 50 HA ASN 50 9.130 8.056 -0.107 392 HB2 ASN 50 1HB ASN 50 11.562 6.279 0.073 393 HB3 ASN 50 2HB ASN 50 11.655 7.955 -0.458 394 HD21 ASN 50 1HD2 ASN 50 11.534 5.849 2.182 395 HD22 ASN 50 2HD2 ASN 50 11.439 7.034 3.435 396 H MET 51 H MET 51 10.363 5.185 -1.810 397 HA MET 51 HA MET 51 10.919 6.326 -4.263 398 HB2 MET 51 1HB MET 51 10.110 3.594 -3.381 399 HB3 MET 51 2HB MET 51 10.105 3.942 -5.105 400 HG2 MET 51 1HG MET 51 12.508 4.859 -4.609 401 HG3 MET 51 2HG MET 51 12.385 3.806 -3.202 402 HE1 MET 51 3HE MET 51 13.035 0.392 -4.441 403 HE2 MET 51 1HE MET 51 13.809 1.659 -3.489 404 HE3 MET 51 2HE MET 51 12.100 1.298 -3.249 405 H MET 52 H MET 52 7.822 5.305 -2.939 406 HA MET 52 HA MET 52 6.375 5.693 -5.379 407 HB2 MET 52 1HB MET 52 5.510 5.331 -2.512 408 HB3 MET 52 2HB MET 52 4.365 5.554 -3.829 409 HG2 MET 52 1HG MET 52 5.481 3.553 -4.928 410 HG3 MET 52 2HG MET 52 6.258 3.274 -3.371 411 HE1 MET 52 3HE MET 52 3.098 3.747 -5.321 412 HE2 MET 52 1HE MET 52 3.188 1.987 -5.385 413 HE3 MET 52 2HE MET 52 1.877 2.770 -4.503 414 H GLU 53 H GLU 53 6.948 7.599 -2.461 415 HA GLU 53 HA GLU 53 5.168 9.662 -2.795 416 HB2 GLU 53 1HB GLU 53 7.914 9.497 -1.635 417 HB3 GLU 53 2HB GLU 53 7.175 11.081 -1.825 418 HG2 GLU 53 1HG GLU 53 5.247 10.309 -0.501 419 HG3 GLU 53 2HG GLU 53 6.064 8.767 -0.255 420 H GLU 54 H GLU 54 8.321 9.247 -4.347 421 HA GLU 54 HA GLU 54 8.045 11.720 -5.827 422 HB2 GLU 54 1HB GLU 54 10.180 10.729 -6.969 423 HB3 GLU 54 2HB GLU 54 10.269 11.360 -5.330 424 HG2 GLU 54 1HG GLU 54 10.261 9.187 -4.394 425 HG3 GLU 54 2HG GLU 54 9.826 8.452 -5.936 426 H LYS 55 H LYS 55 8.006 8.243 -6.511 427 HA LYS 55 HA LYS 55 7.755 8.334 -9.275 428 HB2 LYS 55 1HB LYS 55 8.109 6.275 -7.916 429 HB3 LYS 55 2HB LYS 55 6.425 6.353 -7.417 430 HG2 LYS 55 1HG LYS 55 6.503 4.779 -9.153 431 HG3 LYS 55 2HG LYS 55 5.832 6.244 -9.875 432 HD2 LYS 55 1HD LYS 55 7.768 6.698 -11.064 433 HD3 LYS 55 2HD LYS 55 8.778 5.735 -9.984 434 HE2 LYS 55 1HE LYS 55 8.079 3.722 -10.934 435 HE3 LYS 55 2HE LYS 55 6.647 4.453 -11.657 436 HZ1 LYS 55 3HZ LYS 55 8.220 4.056 -13.374 437 HZ2 LYS 55 1HZ LYS 55 9.465 4.808 -12.511 438 HZ3 LYS 55 2HZ LYS 55 8.181 5.727 -13.116 439 H PHE 56 H PHE 56 5.060 7.864 -6.981 440 HA PHE 56 HA PHE 56 3.281 9.103 -8.970 441 HB2 PHE 56 1HB PHE 56 2.214 7.515 -6.676 442 HB3 PHE 56 2HB PHE 56 1.567 7.708 -8.302 443 HD1 PHE 56 HD1 PHE 56 3.916 5.870 -6.196 444 HD2 PHE 56 HD2 PHE 56 2.345 6.324 -10.124 445 HE1 PHE 56 HE1 PHE 56 4.896 3.705 -6.833 446 HE2 PHE 56 HE2 PHE 56 3.320 4.160 -10.769 447 HZ PHE 56 HZ PHE 56 4.598 2.846 -9.123 448 HA PRO 57 HA PRO 57 3.519 12.226 -5.608 449 HB2 PRO 57 1HB PRO 57 3.250 14.348 -7.279 450 HB3 PRO 57 2HB PRO 57 4.806 13.573 -6.954 451 HG2 PRO 57 1HG PRO 57 2.964 13.222 -9.287 452 HG3 PRO 57 2HG PRO 57 4.730 13.377 -9.270 453 HD2 PRO 57 1HD PRO 57 3.480 10.987 -9.514 454 HD3 PRO 57 2HD PRO 57 5.044 11.167 -8.695 455 H ALA 58 H ALA 58 1.181 11.121 -7.746 456 HA ALA 58 HA ALA 58 -0.852 13.080 -7.235 457 HB1 ALA 58 3HB ALA 58 -1.217 12.016 -9.240 458 HB2 ALA 58 1HB ALA 58 -0.757 10.435 -8.610 459 HB3 ALA 58 2HB ALA 58 -2.318 11.136 -8.181 460 H ASP 59 H ASP 59 -0.423 9.683 -6.231 461 HA ASP 59 HA ASP 59 -2.140 10.258 -3.905 462 HB2 ASP 59 1HB ASP 59 -1.684 7.456 -4.822 463 HB3 ASP 59 2HB ASP 59 -3.095 8.167 -4.043 464 H SER 60 H SER 60 0.985 9.599 -4.882 465 HA SER 60 HA SER 60 2.913 9.133 -3.767 466 HB2 SER 60 1HB SER 60 1.460 9.273 -1.143 467 HB3 SER 60 2HB SER 60 3.100 9.790 -1.534 468 HG SER 60 HG SER 60 2.058 11.432 -2.880 469 H GLY 61 H GLY 61 0.988 7.017 -4.496 470 HA2 GLY 61 1HA GLY 61 1.298 4.695 -4.431 471 HA3 GLY 61 2HA GLY 61 2.240 4.884 -2.959 472 H LEU 62 H LEU 62 -0.593 6.652 -2.743 473 HA LEU 62 HA LEU 62 -1.662 4.914 -0.743 474 HB2 LEU 62 1HB LEU 62 -1.954 7.217 -0.377 475 HB3 LEU 62 2HB LEU 62 -2.593 7.477 -2.000 476 HG LEU 62 HG LEU 62 -4.648 6.283 -1.362 477 HD11 LEU 62 1HD1 LEU 62 -3.269 5.067 0.544 478 HD12 LEU 62 2HD1 LEU 62 -5.010 5.315 0.663 479 HD13 LEU 62 3HD1 LEU 62 -3.906 6.400 1.508 480 HD21 LEU 62 3HD2 LEU 62 -4.118 8.422 0.674 481 HD22 LEU 62 1HD2 LEU 62 -5.613 8.059 -0.188 482 HD23 LEU 62 2HD2 LEU 62 -4.257 8.791 -1.046 483 H GLY 63 H GLY 63 -2.646 5.829 -4.027 484 HA2 GLY 63 1HA GLY 63 -5.044 4.309 -4.035 485 HA3 GLY 63 2HA GLY 63 -4.206 4.923 -5.452 486 H LYS 64 H LYS 64 -1.854 3.650 -5.482 487 HA LYS 64 HA LYS 64 -2.393 1.175 -6.578 488 HB2 LYS 64 1HB LYS 64 -0.236 2.644 -6.624 489 HB3 LYS 64 2HB LYS 64 0.233 1.689 -5.224 490 HG2 LYS 64 1HG LYS 64 1.209 0.556 -6.988 491 HG3 LYS 64 2HG LYS 64 -0.283 -0.347 -6.716 492 HD2 LYS 64 1HD LYS 64 -0.325 -0.101 -9.004 493 HD3 LYS 64 2HD LYS 64 -1.257 1.309 -8.494 494 HE2 LYS 64 1HE LYS 64 1.697 1.561 -8.810 495 HE3 LYS 64 2HE LYS 64 0.686 1.528 -10.253 496 HZ1 LYS 64 3HZ LYS 64 1.149 3.665 -8.482 497 HZ2 LYS 64 1HZ LYS 64 -0.500 3.287 -8.456 498 HZ3 LYS 64 2HZ LYS 64 0.259 3.659 -9.921 499 H LEU 65 H LEU 65 -1.770 2.026 -3.243 500 HA LEU 65 HA LEU 65 -1.403 -0.657 -2.326 501 HB2 LEU 65 1HB LEU 65 -0.507 1.311 -1.146 502 HB3 LEU 65 2HB LEU 65 -2.154 1.821 -0.779 503 HG LEU 65 HG LEU 65 -0.858 0.696 1.087 504 HD11 LEU 65 1HD1 LEU 65 -2.862 0.349 1.973 505 HD12 LEU 65 2HD1 LEU 65 -3.158 -1.023 0.906 506 HD13 LEU 65 3HD1 LEU 65 -3.556 0.611 0.372 507 HD21 LEU 65 3HD2 LEU 65 -1.533 -1.835 -0.389 508 HD22 LEU 65 1HD2 LEU 65 -0.575 -1.644 1.079 509 HD23 LEU 65 2HD2 LEU 65 0.060 -1.083 -0.468 510 H ILE 66 H ILE 66 -4.090 1.670 -2.085 511 HA ILE 66 HA ILE 66 -5.940 0.215 -0.714 512 HB ILE 66 HB ILE 66 -6.312 2.079 -3.044 513 HG12 ILE 66 1HG1 ILE 66 -7.225 2.478 -0.209 514 HG13 ILE 66 2HG1 ILE 66 -5.546 2.765 -0.653 515 HG21 ILE 66 1HG2 ILE 66 -8.719 2.102 -2.531 516 HG22 ILE 66 2HG2 ILE 66 -8.175 0.532 -3.118 517 HG23 ILE 66 3HG2 ILE 66 -8.474 0.774 -1.397 518 HD11 ILE 66 3HD1 ILE 66 -7.037 4.778 -0.644 519 HD12 ILE 66 1HD1 ILE 66 -6.145 4.500 -2.139 520 HD13 ILE 66 2HD1 ILE 66 -7.856 4.084 -2.043 521 H GLU 67 H GLU 67 -5.640 0.189 -4.272 522 HA GLU 67 HA GLU 67 -7.491 -1.762 -4.846 523 HB2 GLU 67 1HB GLU 67 -4.852 -1.196 -6.201 524 HB3 GLU 67 2HB GLU 67 -6.088 -2.253 -6.870 525 HG2 GLU 67 1HG GLU 67 -6.598 0.624 -6.171 526 HG3 GLU 67 2HG GLU 67 -6.037 0.099 -7.758 527 H PHE 68 H PHE 68 -4.072 -2.200 -4.006 528 HA PHE 68 HA PHE 68 -3.916 -4.960 -4.322 529 HB2 PHE 68 1HB PHE 68 -1.906 -3.704 -3.982 530 HB3 PHE 68 2HB PHE 68 -2.471 -3.109 -2.423 531 HD1 PHE 68 HD1 PHE 68 -1.547 -6.235 -4.207 532 HD2 PHE 68 HD2 PHE 68 -1.894 -4.221 -0.473 533 HE1 PHE 68 HE1 PHE 68 -0.429 -8.120 -3.090 534 HE2 PHE 68 HE2 PHE 68 -0.776 -6.103 0.650 535 HZ PHE 68 HZ PHE 68 -0.041 -8.055 -0.659 536 H CYS 69 H CYS 69 -5.272 -3.048 -1.736 537 HA CYS 69 HA CYS 69 -5.494 -5.228 0.116 538 HB2 CYS 69 1HB CYS 69 -6.579 -2.423 0.037 539 HB3 CYS 69 2HB CYS 69 -7.097 -3.562 1.273 540 HG CYS 69 HG CYS 69 -3.785 -2.919 0.798 541 H GLU 70 H GLU 70 -7.433 -3.908 -2.442 542 HA GLU 70 HA GLU 70 -9.940 -4.948 -1.674 543 HB2 GLU 70 1HB GLU 70 -8.827 -4.277 -4.401 544 HB3 GLU 70 2HB GLU 70 -10.507 -4.708 -4.106 545 HG2 GLU 70 1HG GLU 70 -10.678 -2.774 -2.566 546 HG3 GLU 70 2HG GLU 70 -9.039 -2.315 -3.025 547 H GLU 71 H GLU 71 -7.531 -6.202 -3.983 548 HA GLU 71 HA GLU 71 -8.725 -8.507 -4.795 549 HB2 GLU 71 1HB GLU 71 -6.648 -9.244 -5.469 550 HB3 GLU 71 2HB GLU 71 -6.338 -7.526 -5.266 551 HG2 GLU 71 1HG GLU 71 -5.396 -7.959 -3.052 552 HG3 GLU 71 2HG GLU 71 -5.697 -9.682 -3.265 553 H VAL 72 H VAL 72 -7.245 -7.878 -1.680 554 HA VAL 72 HA VAL 72 -7.811 -10.628 -0.822 555 HB VAL 72 HB VAL 72 -6.274 -8.475 0.639 556 HG11 VAL 72 1HG1 VAL 72 -5.433 -10.498 1.923 557 HG12 VAL 72 2HG1 VAL 72 -7.096 -10.001 2.236 558 HG13 VAL 72 3HG1 VAL 72 -6.769 -11.387 1.195 559 HG21 VAL 72 3HG2 VAL 72 -4.951 -8.966 -1.220 560 HG22 VAL 72 1HG2 VAL 72 -4.322 -10.035 0.034 561 HG23 VAL 72 2HG2 VAL 72 -5.400 -10.673 -1.207 562 HA PRO 73 HA PRO 73 -11.489 -9.147 1.179 563 HB2 PRO 73 1HB PRO 73 -12.080 -11.459 2.474 564 HB3 PRO 73 2HB PRO 73 -12.365 -11.226 0.745 565 HG2 PRO 73 1HG PRO 73 -10.098 -12.615 2.121 566 HG3 PRO 73 2HG PRO 73 -11.007 -13.112 0.682 567 HD2 PRO 73 1HD PRO 73 -8.567 -11.948 0.533 568 HD3 PRO 73 2HD PRO 73 -9.812 -11.716 -0.710 569 H ALA 74 H ALA 74 -8.780 -10.640 2.833 570 HA ALA 74 HA ALA 74 -9.681 -9.913 5.466 571 HB1 ALA 74 3HB ALA 74 -7.355 -10.624 6.125 572 HB2 ALA 74 1HB ALA 74 -8.332 -11.856 5.325 573 HB3 ALA 74 2HB ALA 74 -7.077 -11.004 4.425 574 H LEU 75 H LEU 75 -8.242 -8.247 2.922 575 HA LEU 75 HA LEU 75 -7.074 -6.247 4.739 576 HB2 LEU 75 1HB LEU 75 -6.581 -6.751 1.809 577 HB3 LEU 75 2HB LEU 75 -5.884 -5.416 2.725 578 HG LEU 75 HG LEU 75 -5.359 -8.350 3.197 579 HD11 LEU 75 1HD1 LEU 75 -4.009 -8.062 1.431 580 HD12 LEU 75 2HD1 LEU 75 -2.980 -7.204 2.578 581 HD13 LEU 75 3HD1 LEU 75 -4.078 -6.302 1.534 582 HD21 LEU 75 3HD2 LEU 75 -4.553 -5.863 4.642 583 HD22 LEU 75 1HD2 LEU 75 -3.467 -7.252 4.603 584 HD23 LEU 75 2HD2 LEU 75 -5.084 -7.416 5.289 585 H ARG 76 H ARG 76 -9.710 -6.878 2.737 586 HA ARG 76 HA ARG 76 -10.261 -4.357 1.639 587 HB2 ARG 76 1HB ARG 76 -11.856 -6.790 2.269 588 HB3 ARG 76 2HB ARG 76 -12.736 -5.300 1.956 589 HG2 ARG 76 1HG ARG 76 -11.662 -5.102 -0.216 590 HG3 ARG 76 2HG ARG 76 -10.734 -6.569 0.100 591 HD2 ARG 76 1HD ARG 76 -12.635 -7.079 -1.310 592 HD3 ARG 76 2HD ARG 76 -12.836 -7.836 0.270 593 HE ARG 76 HE ARG 76 -14.118 -5.386 0.392 594 HH11 ARG 76 1HH1 ARG 76 -14.392 -8.347 -1.416 595 HH12 ARG 76 2HH1 ARG 76 -16.102 -8.202 -1.647 596 HH21 ARG 76 1HH2 ARG 76 -16.371 -5.181 0.094 597 HH22 ARG 76 2HH2 ARG 76 -17.227 -6.399 -0.789 598 H LYS 77 H LYS 77 -10.242 -5.374 4.864 599 HA LYS 77 HA LYS 77 -12.285 -3.637 5.867 600 HB2 LYS 77 1HB LYS 77 -11.196 -5.783 6.927 601 HB3 LYS 77 2HB LYS 77 -10.032 -4.631 7.567 602 HG2 LYS 77 1HG LYS 77 -11.650 -3.527 8.843 603 HG3 LYS 77 2HG LYS 77 -12.982 -4.251 7.939 604 HD2 LYS 77 1HD LYS 77 -12.979 -5.456 9.927 605 HD3 LYS 77 2HD LYS 77 -12.065 -6.496 8.832 606 HE2 LYS 77 1HE LYS 77 -10.605 -4.488 10.485 607 HE3 LYS 77 2HE LYS 77 -11.184 -5.967 11.252 608 HZ1 LYS 77 3HZ LYS 77 -9.690 -6.185 8.738 609 HZ2 LYS 77 1HZ LYS 77 -9.768 -7.260 10.042 610 HZ3 LYS 77 2HZ LYS 77 -8.830 -5.857 10.158 611 H ARG 78 H ARG 78 -8.925 -3.317 5.094 612 HA ARG 78 HA ARG 78 -8.674 -0.812 6.561 613 HB2 ARG 78 1HB ARG 78 -6.735 -2.480 4.968 614 HB3 ARG 78 2HB ARG 78 -6.327 -0.873 5.554 615 HG2 ARG 78 1HG ARG 78 -7.295 -3.031 7.397 616 HG3 ARG 78 2HG ARG 78 -5.593 -2.859 6.961 617 HD2 ARG 78 1HD ARG 78 -5.561 -0.607 7.848 618 HD3 ARG 78 2HD ARG 78 -7.289 -0.689 8.191 619 HE ARG 78 HE ARG 78 -6.104 -2.796 9.542 620 HH11 ARG 78 1HH1 ARG 78 -5.956 0.682 9.552 621 HH12 ARG 78 2HH1 ARG 78 -5.551 0.790 11.233 622 HH21 ARG 78 1HH2 ARG 78 -5.572 -2.667 11.756 623 HH22 ARG 78 2HH2 ARG 78 -5.333 -1.116 12.486 624 H ALA 79 H ALA 79 -8.638 -1.997 3.223 625 HA ALA 79 HA ALA 79 -8.021 0.250 1.809 626 HB1 ALA 79 3HB ALA 79 -8.374 -1.527 0.426 627 HB2 ALA 79 1HB ALA 79 -9.824 -2.048 1.283 628 HB3 ALA 79 2HB ALA 79 -9.896 -0.671 0.184 629 H GLU 80 H GLU 80 -11.231 -0.593 3.087 630 HA GLU 80 HA GLU 80 -12.583 1.661 2.103 631 HB2 GLU 80 1HB GLU 80 -14.315 1.126 3.736 632 HB3 GLU 80 2HB GLU 80 -13.740 -0.332 2.941 633 HG2 GLU 80 1HG GLU 80 -12.530 -1.014 4.844 634 HG3 GLU 80 2HG GLU 80 -12.700 0.565 5.609 635 H ILE 81 H ILE 81 -10.657 1.156 4.982 636 HA ILE 81 HA ILE 81 -11.430 3.566 6.296 637 HB ILE 81 HB ILE 81 -8.953 1.882 6.685 638 HG12 ILE 81 1HG1 ILE 81 -11.513 1.922 8.295 639 HG13 ILE 81 2HG1 ILE 81 -11.155 0.728 7.052 640 HG21 ILE 81 1HG2 ILE 81 -8.328 3.205 8.390 641 HG22 ILE 81 2HG2 ILE 81 -9.308 4.419 7.567 642 HG23 ILE 81 3HG2 ILE 81 -9.988 3.496 8.907 643 HD11 ILE 81 3HD1 ILE 81 -10.087 1.005 9.786 644 HD12 ILE 81 1HD1 ILE 81 -10.445 -0.440 8.842 645 HD13 ILE 81 2HD1 ILE 81 -8.959 0.462 8.544 646 H LEU 82 H LEU 82 -8.706 2.644 4.231 647 HA LEU 82 HA LEU 82 -7.376 5.154 4.429 648 HB2 LEU 82 1HB LEU 82 -7.143 3.030 2.305 649 HB3 LEU 82 2HB LEU 82 -6.011 4.353 2.575 650 HG LEU 82 HG LEU 82 -6.553 2.287 4.688 651 HD11 LEU 82 1HD1 LEU 82 -5.853 1.166 2.587 652 HD12 LEU 82 2HD1 LEU 82 -4.687 1.004 3.899 653 HD13 LEU 82 3HD1 LEU 82 -4.391 2.151 2.594 654 HD21 LEU 82 3HD2 LEU 82 -3.979 3.721 4.245 655 HD22 LEU 82 1HD2 LEU 82 -4.693 3.119 5.740 656 HD23 LEU 82 2HD2 LEU 82 -5.324 4.585 4.991 657 H LYS 83 H LYS 83 -9.450 3.682 1.946 658 HA LYS 83 HA LYS 83 -9.385 5.723 0.069 659 HB2 LYS 83 1HB LYS 83 -11.721 3.937 0.772 660 HB3 LYS 83 2HB LYS 83 -11.550 4.855 -0.718 661 HG2 LYS 83 1HG LYS 83 -10.004 3.430 -1.586 662 HG3 LYS 83 2HG LYS 83 -9.375 2.969 -0.001 663 HD2 LYS 83 1HD LYS 83 -10.485 1.052 -0.734 664 HD3 LYS 83 2HD LYS 83 -11.656 1.826 0.338 665 HE2 LYS 83 1HE LYS 83 -12.397 2.979 -1.935 666 HE3 LYS 83 2HE LYS 83 -11.686 1.518 -2.617 667 HZ1 LYS 83 3HZ LYS 83 -13.421 0.318 -1.963 668 HZ2 LYS 83 1HZ LYS 83 -14.214 1.771 -1.613 669 HZ3 LYS 83 2HZ LYS 83 -13.382 0.946 -0.393 670 H LYS 84 H LYS 84 -11.954 5.205 2.493 671 HA LYS 84 HA LYS 84 -13.521 7.349 2.197 672 HB2 LYS 84 1HB LYS 84 -13.414 5.568 4.110 673 HB3 LYS 84 2HB LYS 84 -12.515 6.811 4.970 674 HG2 LYS 84 1HG LYS 84 -14.752 7.045 5.646 675 HG3 LYS 84 2HG LYS 84 -14.457 8.359 4.503 676 HD2 LYS 84 1HD LYS 84 -16.468 7.579 3.725 677 HD3 LYS 84 2HD LYS 84 -15.358 6.602 2.762 678 HE2 LYS 84 1HE LYS 84 -15.588 4.766 4.357 679 HE3 LYS 84 2HE LYS 84 -16.678 5.746 5.337 680 HZ1 LYS 84 3HZ LYS 84 -17.792 5.822 2.858 681 HZ2 LYS 84 1HZ LYS 84 -18.292 4.830 4.133 682 HZ3 LYS 84 2HZ LYS 84 -17.224 4.232 2.967 683 H GLU 85 H GLU 85 -10.543 7.480 4.160 684 HA GLU 85 HA GLU 85 -10.592 10.220 4.673 685 HB2 GLU 85 1HB GLU 85 -8.365 8.206 4.539 686 HB3 GLU 85 2HB GLU 85 -8.030 9.901 4.866 687 HG2 GLU 85 1HG GLU 85 -9.763 8.063 6.500 688 HG3 GLU 85 2HG GLU 85 -8.170 8.681 6.932 689 H ARG 86 H ARG 86 -8.934 8.449 2.072 690 HA ARG 86 HA ARG 86 -7.563 10.378 0.781 691 HB2 ARG 86 1HB ARG 86 -7.759 8.033 0.011 692 HB3 ARG 86 2HB ARG 86 -9.372 8.383 -0.594 693 HG2 ARG 86 1HG ARG 86 -8.454 9.979 -2.180 694 HG3 ARG 86 2HG ARG 86 -6.832 9.688 -1.548 695 HD2 ARG 86 1HD ARG 86 -6.958 8.365 -3.475 696 HD3 ARG 86 2HD ARG 86 -7.230 7.238 -2.147 697 HE ARG 86 HE ARG 86 -9.733 8.020 -2.873 698 HH11 ARG 86 1HH1 ARG 86 -7.016 6.651 -4.565 699 HH12 ARG 86 2HH1 ARG 86 -7.994 5.819 -5.728 700 HH21 ARG 86 1HH2 ARG 86 -11.030 6.931 -4.399 701 HH22 ARG 86 2HH2 ARG 86 -10.277 5.980 -5.635 702 H SER 87 H SER 87 -10.998 9.700 0.081 703 HA SER 87 HA SER 87 -11.284 12.137 -1.410 704 HB2 SER 87 1HB SER 87 -13.483 11.424 -1.881 705 HB3 SER 87 2HB SER 87 -12.553 9.929 -1.782 706 HG SER 87 HG SER 87 -14.691 10.568 -0.401 707 H GLU 88 H GLU 88 -12.121 14.049 -0.770 708 HA GLU 88 HA GLU 88 -13.091 14.246 2.005 709 HB2 GLU 88 1HB GLU 88 -12.113 16.663 1.796 710 HB3 GLU 88 2HB GLU 88 -11.054 15.317 2.195 711 HG2 GLU 88 1HG GLU 88 -10.193 15.221 -0.004 712 HG3 GLU 88 2HG GLU 88 -11.436 16.312 -0.613 713 H SER 89 H SER 89 -13.173 15.648 -1.242 714 HA SER 89 HA SER 89 -15.641 17.076 -0.567 715 HB2 SER 89 1HB SER 89 -13.701 17.288 -2.864 716 HB3 SER 89 2HB SER 89 -15.288 18.054 -2.917 717 HG SER 89 HG SER 89 -13.261 18.499 -0.979 718 H GLY 90 H GLY 90 -14.916 14.083 -1.493 719 HA2 GLY 90 1HA GLY 90 -16.632 12.541 -2.114 720 HA3 GLY 90 2HA GLY 90 -17.412 13.826 -3.025 721 HA PRO 91 HA PRO 91 -15.263 11.133 -6.085 722 HB2 PRO 91 1HB PRO 91 -17.264 11.249 -7.916 723 HB3 PRO 91 2HB PRO 91 -17.243 10.081 -6.590 724 HG2 PRO 91 1HG PRO 91 -18.719 12.676 -6.805 725 HG3 PRO 91 2HG PRO 91 -19.287 11.114 -6.188 726 HD2 PRO 91 1HD PRO 91 -18.501 13.127 -4.556 727 HD3 PRO 91 2HD PRO 91 -18.279 11.417 -4.137 728 H SER 92 H SER 92 -13.830 12.034 -7.414 729 HA SER 92 HA SER 92 -14.546 14.552 -8.768 730 HB2 SER 92 1HB SER 92 -12.806 14.621 -6.814 731 HB3 SER 92 2HB SER 92 -11.708 13.934 -8.011 732 HG SER 92 HG SER 92 -12.233 15.738 -9.360 733 H SER 93 H SER 93 -13.770 14.849 -10.861 734 HA SER 93 HA SER 93 -12.430 12.550 -12.108 735 HB2 SER 93 1HB SER 93 -13.937 12.770 -14.071 736 HB3 SER 93 2HB SER 93 -14.801 12.307 -12.605 737 HG SER 93 HG SER 93 -15.953 14.034 -12.844 738 H GLY 94 H GLY 94 -10.873 13.056 -13.553 739 HA2 GLY 94 1HA GLY 94 -10.624 15.900 -14.318 740 HA3 GLY 94 2HA GLY 94 -9.239 14.939 -13.820 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -0.752 -6.154 19.153 2 HA2 GLY 1 1HA GLY 1 -0.477 -3.645 18.933 3 HA3 GLY 1 2HA GLY 1 -2.069 -4.152 19.479 4 H SER 2 H SER 2 1.151 -3.543 20.890 5 HA SER 2 HA SER 2 0.383 -3.007 23.476 6 HB2 SER 2 1HB SER 2 2.717 -3.158 22.937 7 HB3 SER 2 2HB SER 2 2.612 -1.780 21.842 8 HG SER 2 HG SER 2 3.213 -0.708 23.553 9 H SER 3 H SER 3 -1.411 -1.812 23.848 10 HA SER 3 HA SER 3 -2.261 0.445 22.474 11 HB2 SER 3 1HB SER 3 -3.450 -0.992 24.305 12 HB3 SER 3 2HB SER 3 -2.755 0.181 25.424 13 HG SER 3 HG SER 3 -4.909 0.432 23.848 14 H GLY 4 H GLY 4 -2.304 2.697 23.155 15 HA2 GLY 4 1HA GLY 4 -1.139 4.137 24.996 16 HA3 GLY 4 2HA GLY 4 0.307 3.491 24.233 17 H SER 5 H SER 5 1.125 4.522 22.514 18 HA SER 5 HA SER 5 -0.025 7.020 21.724 19 HB2 SER 5 1HB SER 5 2.351 5.508 20.612 20 HB3 SER 5 2HB SER 5 1.927 7.170 20.204 21 HG SER 5 HG SER 5 1.986 7.270 22.731 22 H SER 6 H SER 6 -0.898 7.611 19.754 23 HA SER 6 HA SER 6 -1.844 5.371 18.099 24 HB2 SER 6 1HB SER 6 -3.606 7.012 17.341 25 HB3 SER 6 2HB SER 6 -3.687 6.579 19.049 26 HG SER 6 HG SER 6 -3.835 8.757 19.017 27 H GLY 7 H GLY 7 0.767 6.373 17.728 28 HA2 GLY 7 1HA GLY 7 0.954 8.327 15.703 29 HA3 GLY 7 2HA GLY 7 2.176 7.121 16.076 30 H ILE 8 H ILE 8 -0.666 7.831 14.154 31 HA ILE 8 HA ILE 8 0.175 5.736 12.272 32 HB ILE 8 HB ILE 8 -2.682 6.307 13.068 33 HG12 ILE 8 1HG1 ILE 8 -1.137 3.731 13.368 34 HG13 ILE 8 2HG1 ILE 8 -1.237 4.934 14.650 35 HG21 ILE 8 1HG2 ILE 8 -3.116 4.301 11.569 36 HG22 ILE 8 2HG2 ILE 8 -2.720 5.821 10.769 37 HG23 ILE 8 3HG2 ILE 8 -1.494 4.565 10.930 38 HD11 ILE 8 3HD1 ILE 8 -3.435 3.270 13.479 39 HD12 ILE 8 1HD1 ILE 8 -2.879 3.348 15.150 40 HD13 ILE 8 2HD1 ILE 8 -3.757 4.707 14.448 41 H VAL 9 H VAL 9 0.292 6.383 10.210 42 HA VAL 9 HA VAL 9 -1.067 8.878 9.440 43 HB VAL 9 HB VAL 9 1.301 9.377 9.836 44 HG11 VAL 9 1HG1 VAL 9 1.861 7.361 7.664 45 HG12 VAL 9 2HG1 VAL 9 3.049 8.374 8.488 46 HG13 VAL 9 3HG1 VAL 9 2.180 7.124 9.381 47 HG21 VAL 9 3HG2 VAL 9 0.757 9.379 6.874 48 HG22 VAL 9 1HG2 VAL 9 -0.030 10.479 8.005 49 HG23 VAL 9 2HG2 VAL 9 1.721 10.530 7.800 50 H LEU 10 H LEU 10 -1.320 9.132 7.091 51 HA LEU 10 HA LEU 10 -2.583 7.010 5.883 52 HB2 LEU 10 1HB LEU 10 -3.030 9.049 4.911 53 HB3 LEU 10 2HB LEU 10 -1.330 9.509 4.851 54 HG LEU 10 HG LEU 10 -0.995 7.942 2.980 55 HD11 LEU 10 1HD1 LEU 10 -3.877 7.646 2.488 56 HD12 LEU 10 2HD1 LEU 10 -3.239 6.700 3.831 57 HD13 LEU 10 3HD1 LEU 10 -2.552 6.514 2.218 58 HD21 LEU 10 3HD2 LEU 10 -2.718 9.218 1.420 59 HD22 LEU 10 1HD2 LEU 10 -1.309 10.023 2.112 60 HD23 LEU 10 2HD2 LEU 10 -2.894 10.220 2.861 61 H LEU 11 H LEU 11 0.804 7.640 6.110 62 HA LEU 11 HA LEU 11 1.627 5.996 3.929 63 HB2 LEU 11 1HB LEU 11 2.888 7.862 5.297 64 HB3 LEU 11 2HB LEU 11 3.389 6.486 6.279 65 HG LEU 11 HG LEU 11 5.039 7.166 4.546 66 HD11 LEU 11 1HD1 LEU 11 4.409 4.524 3.565 67 HD12 LEU 11 2HD1 LEU 11 4.221 4.625 5.315 68 HD13 LEU 11 3HD1 LEU 11 5.756 5.063 4.567 69 HD21 LEU 11 3HD2 LEU 11 4.572 7.282 2.352 70 HD22 LEU 11 1HD2 LEU 11 2.904 7.455 2.901 71 HD23 LEU 11 2HD2 LEU 11 3.508 5.876 2.397 72 H ARG 12 H ARG 12 0.960 5.462 7.322 73 HA ARG 12 HA ARG 12 2.207 3.035 7.759 74 HB2 ARG 12 1HB ARG 12 -0.319 4.250 8.827 75 HB3 ARG 12 2HB ARG 12 0.137 2.616 9.290 76 HG2 ARG 12 1HG ARG 12 1.921 5.012 9.638 77 HG3 ARG 12 2HG ARG 12 0.840 4.393 10.888 78 HD2 ARG 12 1HD ARG 12 2.773 3.312 11.458 79 HD3 ARG 12 2HD ARG 12 2.068 2.128 10.359 80 HE ARG 12 HE ARG 12 3.841 2.455 8.969 81 HH11 ARG 12 1HH1 ARG 12 3.543 5.229 11.052 82 HH12 ARG 12 2HH1 ARG 12 4.989 5.986 10.470 83 HH21 ARG 12 1HH2 ARG 12 5.746 3.441 8.194 84 HH22 ARG 12 2HH2 ARG 12 6.240 4.968 8.843 85 H GLY 13 H GLY 13 -0.307 3.746 5.585 86 HA2 GLY 13 1HA GLY 13 -1.873 1.488 5.487 87 HA3 GLY 13 2HA GLY 13 -1.406 2.413 4.067 88 H LEU 14 H LEU 14 1.489 1.678 4.893 89 HA LEU 14 HA LEU 14 1.535 -0.783 3.328 90 HB2 LEU 14 1HB LEU 14 3.712 1.095 4.227 91 HB3 LEU 14 2HB LEU 14 4.008 -0.389 3.325 92 HG LEU 14 HG LEU 14 2.439 1.993 2.341 93 HD11 LEU 14 1HD1 LEU 14 4.281 2.708 1.238 94 HD12 LEU 14 2HD1 LEU 14 4.933 1.081 1.041 95 HD13 LEU 14 3HD1 LEU 14 5.096 1.914 2.586 96 HD21 LEU 14 3HD2 LEU 14 3.168 -0.613 1.013 97 HD22 LEU 14 1HD2 LEU 14 2.520 0.795 0.171 98 HD23 LEU 14 2HD2 LEU 14 1.548 -0.027 1.392 99 H GLU 15 H GLU 15 3.037 0.431 6.330 100 HA GLU 15 HA GLU 15 4.048 -2.026 7.200 101 HB2 GLU 15 1HB GLU 15 3.314 0.520 8.608 102 HB3 GLU 15 2HB GLU 15 3.835 -0.885 9.529 103 HG2 GLU 15 1HG GLU 15 5.491 0.103 7.251 104 HG3 GLU 15 2HG GLU 15 5.562 0.911 8.816 105 H CYS 16 H CYS 16 0.928 -0.472 7.795 106 HA CYS 16 HA CYS 16 -0.232 -1.922 9.725 107 HB2 CYS 16 1HB CYS 16 -1.517 -0.268 8.565 108 HB3 CYS 16 2HB CYS 16 -1.422 -1.167 7.056 109 HG CYS 16 HG CYS 16 -2.876 -2.833 9.579 110 H ILE 17 H ILE 17 -0.417 -3.000 6.328 111 HA ILE 17 HA ILE 17 -1.386 -5.565 6.902 112 HB ILE 17 HB ILE 17 -0.585 -6.175 4.619 113 HG12 ILE 17 1HG1 ILE 17 0.360 -3.308 4.472 114 HG13 ILE 17 2HG1 ILE 17 1.441 -4.674 4.727 115 HG21 ILE 17 1HG2 ILE 17 -2.774 -5.131 5.002 116 HG22 ILE 17 2HG2 ILE 17 -2.044 -3.542 4.785 117 HG23 ILE 17 3HG2 ILE 17 -2.091 -4.681 3.440 118 HD11 ILE 17 3HD1 ILE 17 0.717 -5.615 2.578 119 HD12 ILE 17 1HD1 ILE 17 -0.301 -4.198 2.321 120 HD13 ILE 17 2HD1 ILE 17 1.453 -4.021 2.410 121 H ASN 18 H ASN 18 -0.437 -7.481 7.359 122 HA ASN 18 HA ASN 18 2.048 -7.580 8.600 123 HB2 ASN 18 1HB ASN 18 0.496 -9.837 7.311 124 HB3 ASN 18 2HB ASN 18 1.833 -10.044 8.439 125 HD21 ASN 18 1HD2 ASN 18 -0.888 -10.952 8.700 126 HD22 ASN 18 2HD2 ASN 18 -1.521 -10.221 10.131 127 H LYS 19 H LYS 19 4.082 -8.231 7.974 128 HA LYS 19 HA LYS 19 5.160 -7.478 5.623 129 HB2 LYS 19 1HB LYS 19 5.963 -9.859 7.302 130 HB3 LYS 19 2HB LYS 19 6.954 -9.196 6.008 131 HG2 LYS 19 1HG LYS 19 6.035 -7.575 8.366 132 HG3 LYS 19 2HG LYS 19 7.558 -8.468 8.334 133 HD2 LYS 19 1HD LYS 19 6.821 -6.460 6.220 134 HD3 LYS 19 2HD LYS 19 7.656 -6.003 7.706 135 HE2 LYS 19 1HE LYS 19 8.694 -8.207 5.958 136 HE3 LYS 19 2HE LYS 19 9.056 -6.519 5.601 137 HZ1 LYS 19 3HZ LYS 19 10.509 -8.076 7.234 138 HZ2 LYS 19 1HZ LYS 19 9.507 -7.290 8.348 139 HZ3 LYS 19 2HZ LYS 19 10.482 -6.386 7.303 140 H HIS 20 H HIS 20 3.334 -10.390 6.186 141 HA HIS 20 HA HIS 20 4.047 -11.944 4.011 142 HB2 HIS 20 1HB HIS 20 2.596 -12.995 5.494 143 HB3 HIS 20 2HB HIS 20 1.500 -11.618 5.555 144 HD1 HIS 20 HD1 HIS 20 2.338 -14.631 3.493 145 HD2 HIS 20 HD2 HIS 20 -0.478 -11.578 3.592 146 HE1 HIS 20 HE1 HIS 20 0.549 -15.313 1.863 147 HE2 HIS 20 HE2 HIS 20 -1.101 -13.410 1.876 148 H TYR 21 H TYR 21 1.412 -9.547 4.160 149 HA TYR 21 HA TYR 21 0.894 -9.710 1.352 150 HB2 TYR 21 1HB TYR 21 -0.031 -7.824 3.517 151 HB3 TYR 21 2HB TYR 21 -0.510 -7.633 1.833 152 HD1 TYR 21 HD1 TYR 21 -0.968 -10.396 0.984 153 HD2 TYR 21 HD2 TYR 21 -1.948 -8.478 4.654 154 HE1 TYR 21 HE1 TYR 21 -2.805 -11.995 1.322 155 HE2 TYR 21 HE2 TYR 21 -3.787 -10.074 5.003 156 HH TYR 21 HH TYR 21 -5.268 -11.546 3.434 157 H PHE 22 H PHE 22 2.469 -7.319 3.453 158 HA PHE 22 HA PHE 22 3.026 -5.285 1.761 159 HB2 PHE 22 1HB PHE 22 3.776 -5.224 4.053 160 HB3 PHE 22 2HB PHE 22 4.896 -6.552 3.769 161 HD1 PHE 22 HD1 PHE 22 4.303 -3.606 1.603 162 HD2 PHE 22 HD2 PHE 22 6.952 -5.572 4.293 163 HE1 PHE 22 HE1 PHE 22 6.070 -1.989 1.040 164 HE2 PHE 22 HE2 PHE 22 8.722 -3.957 3.736 165 HZ PHE 22 HZ PHE 22 8.283 -2.162 2.108 166 H SER 23 H SER 23 4.837 -8.328 1.959 167 HA SER 23 HA SER 23 6.847 -7.770 0.133 168 HB2 SER 23 1HB SER 23 6.719 -9.810 1.571 169 HB3 SER 23 2HB SER 23 5.478 -10.446 0.492 170 HG SER 23 HG SER 23 7.791 -11.058 0.125 171 H LEU 24 H LEU 24 3.625 -9.142 -0.465 172 HA LEU 24 HA LEU 24 3.853 -9.576 -3.198 173 HB2 LEU 24 1HB LEU 24 1.545 -8.946 -1.403 174 HB3 LEU 24 2HB LEU 24 1.306 -9.071 -3.145 175 HG LEU 24 HG LEU 24 2.451 -11.400 -2.848 176 HD11 LEU 24 1HD1 LEU 24 2.982 -11.938 -0.763 177 HD12 LEU 24 2HD1 LEU 24 1.260 -11.968 -0.387 178 HD13 LEU 24 3HD1 LEU 24 2.192 -10.494 -0.129 179 HD21 LEU 24 3HD2 LEU 24 0.041 -10.797 -3.458 180 HD22 LEU 24 1HD2 LEU 24 -0.334 -11.119 -1.765 181 HD23 LEU 24 2HD2 LEU 24 0.335 -12.398 -2.778 182 H PHE 25 H PHE 25 2.625 -6.685 -1.520 183 HA PHE 25 HA PHE 25 1.973 -5.105 -3.657 184 HB2 PHE 25 1HB PHE 25 1.668 -4.482 -1.271 185 HB3 PHE 25 2HB PHE 25 3.394 -4.154 -1.162 186 HD1 PHE 25 HD1 PHE 25 0.766 -3.297 -3.670 187 HD2 PHE 25 HD2 PHE 25 3.778 -1.902 -1.006 188 HE1 PHE 25 HE1 PHE 25 0.369 -0.991 -4.434 189 HE2 PHE 25 HE2 PHE 25 3.387 0.406 -1.765 190 HZ PHE 25 HZ PHE 25 1.680 0.864 -3.481 191 H LYS 26 H LYS 26 5.189 -5.531 -2.223 192 HA LYS 26 HA LYS 26 6.551 -3.706 -3.867 193 HB2 LYS 26 1HB LYS 26 7.358 -6.047 -2.196 194 HB3 LYS 26 2HB LYS 26 8.534 -5.358 -3.307 195 HG2 LYS 26 1HG LYS 26 8.272 -3.179 -2.236 196 HG3 LYS 26 2HG LYS 26 7.091 -3.870 -1.121 197 HD2 LYS 26 1HD LYS 26 9.902 -4.916 -1.380 198 HD3 LYS 26 2HD LYS 26 9.455 -3.641 -0.245 199 HE2 LYS 26 1HE LYS 26 7.747 -5.194 0.706 200 HE3 LYS 26 2HE LYS 26 8.397 -6.463 -0.333 201 HZ1 LYS 26 3HZ LYS 26 10.492 -6.317 0.777 202 HZ2 LYS 26 1HZ LYS 26 9.291 -6.493 1.953 203 HZ3 LYS 26 2HZ LYS 26 9.993 -4.978 1.682 204 H SER 27 H SER 27 5.694 -7.082 -4.315 205 HA SER 27 HA SER 27 7.302 -7.556 -6.593 206 HB2 SER 27 1HB SER 27 4.995 -8.916 -5.289 207 HB3 SER 27 2HB SER 27 5.357 -9.349 -6.960 208 HG SER 27 HG SER 27 6.673 -10.011 -4.682 209 H LEU 28 H LEU 28 3.947 -6.495 -6.199 210 HA LEU 28 HA LEU 28 3.324 -6.457 -8.963 211 HB2 LEU 28 1HB LEU 28 2.071 -4.836 -6.756 212 HB3 LEU 28 2HB LEU 28 1.364 -5.198 -8.329 213 HG LEU 28 HG LEU 28 2.037 -7.369 -6.366 214 HD11 LEU 28 1HD1 LEU 28 0.388 -6.761 -5.020 215 HD12 LEU 28 2HD1 LEU 28 -0.745 -6.835 -6.369 216 HD13 LEU 28 3HD1 LEU 28 0.095 -5.328 -6.005 217 HD21 LEU 28 3HD2 LEU 28 1.511 -8.511 -8.232 218 HD22 LEU 28 1HD2 LEU 28 0.668 -7.142 -8.958 219 HD23 LEU 28 2HD2 LEU 28 -0.148 -8.144 -7.759 220 H LEU 29 H LEU 29 4.613 -4.056 -6.733 221 HA LEU 29 HA LEU 29 4.564 -1.963 -8.730 222 HB2 LEU 29 1HB LEU 29 5.296 -2.177 -5.863 223 HB3 LEU 29 2HB LEU 29 6.050 -0.889 -6.800 224 HG LEU 29 HG LEU 29 4.036 -0.167 -5.554 225 HD11 LEU 29 1HD1 LEU 29 2.921 0.919 -7.513 226 HD12 LEU 29 2HD1 LEU 29 3.959 -0.047 -8.560 227 HD13 LEU 29 3HD1 LEU 29 4.672 1.123 -7.450 228 HD21 LEU 29 3HD2 LEU 29 2.633 -2.079 -7.417 229 HD22 LEU 29 1HD2 LEU 29 1.828 -0.867 -6.419 230 HD23 LEU 29 2HD2 LEU 29 2.720 -2.185 -5.658 231 H ALA 30 H ALA 30 6.744 -4.382 -7.608 232 HA ALA 30 HA ALA 30 9.252 -3.556 -7.932 233 HB1 ALA 30 3HB ALA 30 9.880 -5.704 -8.621 234 HB2 ALA 30 1HB ALA 30 8.384 -5.948 -7.719 235 HB3 ALA 30 2HB ALA 30 8.365 -5.967 -9.483 236 H ARG 31 H ARG 31 7.146 -4.324 -10.701 237 HA ARG 31 HA ARG 31 8.888 -3.762 -12.761 238 HB2 ARG 31 1HB ARG 31 6.796 -3.113 -14.056 239 HB3 ARG 31 2HB ARG 31 6.804 -4.714 -13.327 240 HG2 ARG 31 1HG ARG 31 5.648 -3.368 -11.339 241 HG3 ARG 31 2HG ARG 31 5.156 -2.345 -12.691 242 HD2 ARG 31 1HD ARG 31 4.534 -4.656 -13.782 243 HD3 ARG 31 2HD ARG 31 4.470 -5.185 -12.102 244 HE ARG 31 HE ARG 31 2.481 -4.096 -11.912 245 HH11 ARG 31 1HH1 ARG 31 4.258 -2.686 -14.553 246 HH12 ARG 31 2HH1 ARG 31 2.977 -1.615 -15.015 247 HH21 ARG 31 1HH2 ARG 31 0.788 -2.690 -12.509 248 HH22 ARG 31 2HH2 ARG 31 1.004 -1.617 -13.850 249 H ASP 32 H ASP 32 6.463 -1.479 -11.477 250 HA ASP 32 HA ASP 32 7.514 0.765 -12.819 251 HB2 ASP 32 1HB ASP 32 5.549 0.321 -10.630 252 HB3 ASP 32 2HB ASP 32 6.206 1.944 -10.809 253 H LEU 33 H LEU 33 7.610 0.058 -9.321 254 HA LEU 33 HA LEU 33 9.469 2.034 -8.665 255 HB2 LEU 33 1HB LEU 33 8.793 -0.582 -7.344 256 HB3 LEU 33 2HB LEU 33 9.908 0.587 -6.640 257 HG LEU 33 HG LEU 33 6.972 1.011 -7.184 258 HD11 LEU 33 1HD1 LEU 33 8.019 1.314 -4.473 259 HD12 LEU 33 2HD1 LEU 33 8.135 -0.327 -5.108 260 HD13 LEU 33 3HD1 LEU 33 6.571 0.487 -5.048 261 HD21 LEU 33 3HD2 LEU 33 7.307 3.159 -6.016 262 HD22 LEU 33 1HD2 LEU 33 8.176 3.073 -7.549 263 HD23 LEU 33 2HD2 LEU 33 9.047 2.870 -6.029 264 H ASN 34 H ASN 34 9.917 -0.777 -10.451 265 HA ASN 34 HA ASN 34 11.740 -1.885 -11.244 266 HB2 ASN 34 1HB ASN 34 12.846 0.842 -10.645 267 HB3 ASN 34 2HB ASN 34 13.903 -0.435 -11.240 268 HD21 ASN 34 1HD2 ASN 34 14.023 -0.739 -13.354 269 HD22 ASN 34 2HD2 ASN 34 12.950 -0.069 -14.530 270 H LEU 35 H LEU 35 11.059 -2.407 -8.557 271 HA LEU 35 HA LEU 35 13.329 -2.363 -6.853 272 HB2 LEU 35 1HB LEU 35 10.953 -4.212 -6.739 273 HB3 LEU 35 2HB LEU 35 12.069 -3.850 -5.426 274 HG LEU 35 HG LEU 35 10.158 -1.882 -6.685 275 HD11 LEU 35 1HD1 LEU 35 8.758 -3.254 -5.480 276 HD12 LEU 35 2HD1 LEU 35 9.211 -2.059 -4.265 277 HD13 LEU 35 3HD1 LEU 35 9.991 -3.641 -4.279 278 HD21 LEU 35 3HD2 LEU 35 11.723 -1.548 -4.143 279 HD22 LEU 35 1HD2 LEU 35 10.859 -0.325 -5.076 280 HD23 LEU 35 2HD2 LEU 35 12.351 -1.025 -5.707 281 H GLU 36 H GLU 36 13.890 -4.708 -5.848 282 HA GLU 36 HA GLU 36 15.398 -6.005 -7.904 283 HB2 GLU 36 1HB GLU 36 15.124 -6.260 -4.955 284 HB3 GLU 36 2HB GLU 36 15.728 -7.662 -5.827 285 HG2 GLU 36 1HG GLU 36 17.372 -5.880 -4.876 286 HG3 GLU 36 2HG GLU 36 17.666 -6.623 -6.447 287 H ARG 37 H ARG 37 14.827 -7.673 -9.129 288 HA ARG 37 HA ARG 37 12.419 -8.706 -9.562 289 HB2 ARG 37 1HB ARG 37 15.118 -9.959 -9.693 290 HB3 ARG 37 2HB ARG 37 13.720 -11.002 -9.913 291 HG2 ARG 37 1HG ARG 37 13.062 -9.928 -11.860 292 HG3 ARG 37 2HG ARG 37 13.996 -8.477 -11.489 293 HD2 ARG 37 1HD ARG 37 16.057 -9.979 -11.690 294 HD3 ARG 37 2HD ARG 37 14.977 -11.145 -12.453 295 HE ARG 37 HE ARG 37 16.062 -8.798 -13.638 296 HH11 ARG 37 1HH1 ARG 37 13.243 -10.840 -13.587 297 HH12 ARG 37 2HH1 ARG 37 12.759 -10.432 -15.201 298 HH21 ARG 37 1HH2 ARG 37 15.436 -8.254 -15.762 299 HH22 ARG 37 2HH2 ARG 37 14.007 -8.962 -16.437 300 H ASP 38 H ASP 38 14.635 -10.093 -7.141 301 HA ASP 38 HA ASP 38 12.279 -11.159 -5.736 302 HB2 ASP 38 1HB ASP 38 14.937 -12.582 -5.857 303 HB3 ASP 38 2HB ASP 38 13.408 -13.199 -5.236 304 H ASN 39 H ASN 39 15.418 -9.686 -5.599 305 HA ASN 39 HA ASN 39 15.700 -9.858 -2.751 306 HB2 ASN 39 1HB ASN 39 17.504 -9.486 -4.662 307 HB3 ASN 39 2HB ASN 39 17.153 -7.790 -4.340 308 HD21 ASN 39 1HD2 ASN 39 16.638 -8.020 -1.581 309 HD22 ASN 39 2HD2 ASN 39 18.132 -8.371 -0.788 310 H GLN 40 H GLN 40 13.192 -8.888 -3.251 311 HA GLN 40 HA GLN 40 13.171 -6.010 -3.082 312 HB2 GLN 40 1HB GLN 40 11.132 -8.169 -3.200 313 HB3 GLN 40 2HB GLN 40 10.652 -6.654 -2.447 314 HG2 GLN 40 1HG GLN 40 10.751 -5.486 -4.395 315 HG3 GLN 40 2HG GLN 40 12.013 -6.513 -5.074 316 HE21 GLN 40 1HE2 GLN 40 11.205 -7.243 -6.920 317 HE22 GLN 40 2HE2 GLN 40 9.681 -8.033 -7.108 318 H GLU 41 H GLU 41 13.078 -8.709 -0.884 319 HA GLU 41 HA GLU 41 11.970 -7.596 1.383 320 HB2 GLU 41 1HB GLU 41 12.965 -9.976 0.924 321 HB3 GLU 41 2HB GLU 41 14.430 -9.290 1.612 322 HG2 GLU 41 1HG GLU 41 13.013 -8.625 3.603 323 HG3 GLU 41 2HG GLU 41 11.759 -9.662 2.927 324 H GLN 42 H GLN 42 15.252 -7.246 0.131 325 HA GLN 42 HA GLN 42 16.534 -6.033 2.226 326 HB2 GLN 42 1HB GLN 42 18.126 -5.360 0.717 327 HB3 GLN 42 2HB GLN 42 17.288 -6.569 -0.247 328 HG2 GLN 42 1HG GLN 42 16.049 -4.868 -1.403 329 HG3 GLN 42 2HG GLN 42 16.718 -3.618 -0.356 330 HE21 GLN 42 1HE2 GLN 42 17.354 -5.808 -2.978 331 HE22 GLN 42 2HE2 GLN 42 18.829 -5.077 -3.499 332 H TYR 43 H TYR 43 14.096 -4.683 0.120 333 HA TYR 43 HA TYR 43 14.490 -1.972 0.980 334 HB2 TYR 43 1HB TYR 43 12.280 -3.322 -0.575 335 HB3 TYR 43 2HB TYR 43 12.288 -1.601 -0.205 336 HD1 TYR 43 HD1 TYR 43 13.904 -0.107 -1.269 337 HD2 TYR 43 HD2 TYR 43 13.779 -4.250 -2.229 338 HE1 TYR 43 HE1 TYR 43 15.265 0.323 -3.272 339 HE2 TYR 43 HE2 TYR 43 15.140 -3.832 -4.234 340 HH TYR 43 HH TYR 43 15.607 -0.841 -5.548 341 H THR 44 H THR 44 12.973 -0.717 2.195 342 HA THR 44 HA THR 44 11.407 -2.317 4.114 343 HB THR 44 HB THR 44 11.841 -0.546 5.790 344 HG1 THR 44 HG1 THR 44 12.611 0.856 3.747 345 HG21 THR 44 3HG2 THR 44 13.810 -1.471 6.479 346 HG22 THR 44 1HG2 THR 44 14.557 -1.338 4.888 347 HG23 THR 44 2HG2 THR 44 13.401 -2.628 5.212 348 H THR 45 H THR 45 9.440 -1.458 4.850 349 HA THR 45 HA THR 45 7.668 -0.433 3.132 350 HB THR 45 HB THR 45 6.446 0.614 5.069 351 HG1 THR 45 HG1 THR 45 8.808 -0.216 6.427 352 HG21 THR 45 3HG2 THR 45 6.114 -1.527 6.272 353 HG22 THR 45 1HG2 THR 45 7.511 -2.189 5.425 354 HG23 THR 45 2HG2 THR 45 6.075 -1.714 4.519 355 H ILE 46 H ILE 46 10.052 1.448 4.897 356 HA ILE 46 HA ILE 46 9.040 4.010 4.254 357 HB ILE 46 HB ILE 46 11.900 3.234 4.843 358 HG12 ILE 46 1HG1 ILE 46 11.081 4.283 7.141 359 HG13 ILE 46 2HG1 ILE 46 9.514 3.722 6.570 360 HG21 ILE 46 1HG2 ILE 46 11.858 5.409 3.883 361 HG22 ILE 46 2HG2 ILE 46 10.470 5.881 4.861 362 HG23 ILE 46 3HG2 ILE 46 12.036 5.616 5.624 363 HD11 ILE 46 3HD1 ILE 46 11.503 2.253 7.889 364 HD12 ILE 46 1HD1 ILE 46 9.980 1.666 7.222 365 HD13 ILE 46 2HD1 ILE 46 11.441 1.645 6.234 366 H GLN 47 H GLN 47 11.985 2.461 2.962 367 HA GLN 47 HA GLN 47 12.520 4.133 0.886 368 HB2 GLN 47 1HB GLN 47 12.729 1.120 0.760 369 HB3 GLN 47 2HB GLN 47 13.624 2.266 -0.229 370 HG2 GLN 47 1HG GLN 47 13.866 2.499 2.715 371 HG3 GLN 47 2HG GLN 47 14.667 1.143 1.921 372 HE21 GLN 47 1HE2 GLN 47 16.704 1.945 2.434 373 HE22 GLN 47 2HE2 GLN 47 17.384 3.310 1.621 374 H ILE 48 H ILE 48 10.161 1.502 0.912 375 HA ILE 48 HA ILE 48 9.438 1.749 -1.826 376 HB ILE 48 HB ILE 48 7.793 0.592 0.427 377 HG12 ILE 48 1HG1 ILE 48 9.907 -0.543 0.398 378 HG13 ILE 48 2HG1 ILE 48 8.735 -1.593 -0.391 379 HG21 ILE 48 1HG2 ILE 48 7.595 0.483 -2.557 380 HG22 ILE 48 2HG2 ILE 48 6.945 -0.819 -1.562 381 HG23 ILE 48 3HG2 ILE 48 6.339 0.825 -1.367 382 HD11 ILE 48 3HD1 ILE 48 11.113 -0.252 -1.476 383 HD12 ILE 48 1HD1 ILE 48 10.365 -1.786 -1.919 384 HD13 ILE 48 2HD1 ILE 48 9.695 -0.271 -2.524 385 H ALA 49 H ALA 49 8.448 3.353 1.097 386 HA ALA 49 HA ALA 49 6.044 4.477 -0.008 387 HB1 ALA 49 3HB ALA 49 7.572 5.223 2.483 388 HB2 ALA 49 1HB ALA 49 5.953 5.781 2.058 389 HB3 ALA 49 2HB ALA 49 6.240 4.072 2.388 390 H ASN 50 H ASN 50 9.285 5.722 0.769 391 HA ASN 50 HA ASN 50 8.845 8.356 -0.097 392 HB2 ASN 50 1HB ASN 50 11.380 6.724 0.094 393 HB3 ASN 50 2HB ASN 50 11.360 8.442 -0.291 394 HD21 ASN 50 1HD2 ASN 50 11.012 6.056 2.163 395 HD22 ASN 50 2HD2 ASN 50 10.896 7.140 3.504 396 H MET 51 H MET 51 10.063 5.504 -1.806 397 HA MET 51 HA MET 51 10.731 6.756 -4.219 398 HB2 MET 51 1HB MET 51 10.103 3.973 -3.378 399 HB3 MET 51 2HB MET 51 10.058 4.324 -5.101 400 HG2 MET 51 1HG MET 51 12.396 5.410 -4.613 401 HG3 MET 51 2HG MET 51 12.359 4.334 -3.219 402 HE1 MET 51 3HE MET 51 11.652 1.695 -3.563 403 HE2 MET 51 1HE MET 51 12.852 0.875 -4.564 404 HE3 MET 51 2HE MET 51 13.369 2.029 -3.335 405 H MET 52 H MET 52 7.695 5.237 -3.175 406 HA MET 52 HA MET 52 6.308 5.686 -5.601 407 HB2 MET 52 1HB MET 52 5.437 5.077 -2.790 408 HB3 MET 52 2HB MET 52 4.257 5.404 -4.052 409 HG2 MET 52 1HG MET 52 5.399 3.566 -5.381 410 HG3 MET 52 2HG MET 52 6.219 3.145 -3.878 411 HE1 MET 52 3HE MET 52 2.562 3.595 -5.510 412 HE2 MET 52 1HE MET 52 3.581 2.294 -6.128 413 HE3 MET 52 2HE MET 52 2.124 1.911 -5.209 414 H GLU 53 H GLU 53 6.491 7.503 -2.563 415 HA GLU 53 HA GLU 53 4.609 9.417 -2.843 416 HB2 GLU 53 1HB GLU 53 7.400 9.510 -1.792 417 HB3 GLU 53 2HB GLU 53 6.511 11.020 -1.939 418 HG2 GLU 53 1HG GLU 53 4.862 10.322 -0.419 419 HG3 GLU 53 2HG GLU 53 5.390 8.642 -0.497 420 H GLU 54 H GLU 54 7.665 9.263 -4.597 421 HA GLU 54 HA GLU 54 7.005 11.703 -6.059 422 HB2 GLU 54 1HB GLU 54 9.464 9.964 -6.298 423 HB3 GLU 54 2HB GLU 54 9.248 11.578 -6.961 424 HG2 GLU 54 1HG GLU 54 8.812 12.163 -4.417 425 HG3 GLU 54 2HG GLU 54 9.802 10.724 -4.178 426 H LYS 55 H LYS 55 7.718 8.282 -6.691 427 HA LYS 55 HA LYS 55 7.576 8.129 -9.394 428 HB2 LYS 55 1HB LYS 55 7.844 6.231 -7.723 429 HB3 LYS 55 2HB LYS 55 6.088 6.190 -7.626 430 HG2 LYS 55 1HG LYS 55 6.821 4.502 -9.153 431 HG3 LYS 55 2HG LYS 55 6.008 5.775 -10.066 432 HD2 LYS 55 1HD LYS 55 8.170 6.717 -10.694 433 HD3 LYS 55 2HD LYS 55 8.996 5.474 -9.752 434 HE2 LYS 55 1HE LYS 55 8.283 3.760 -11.215 435 HE3 LYS 55 2HE LYS 55 7.107 4.815 -11.998 436 HZ1 LYS 55 3HZ LYS 55 8.978 4.576 -13.429 437 HZ2 LYS 55 1HZ LYS 55 10.063 4.980 -12.195 438 HZ3 LYS 55 2HZ LYS 55 9.011 6.151 -12.813 439 H PHE 56 H PHE 56 4.746 8.018 -7.231 440 HA PHE 56 HA PHE 56 3.090 8.851 -9.522 441 HB2 PHE 56 1HB PHE 56 1.972 7.394 -7.146 442 HB3 PHE 56 2HB PHE 56 1.314 7.524 -8.774 443 HD1 PHE 56 HD1 PHE 56 3.970 5.951 -6.747 444 HD2 PHE 56 HD2 PHE 56 1.839 5.940 -10.431 445 HE1 PHE 56 HE1 PHE 56 4.983 3.784 -7.322 446 HE2 PHE 56 HE2 PHE 56 2.849 3.772 -11.013 447 HZ PHE 56 HZ PHE 56 4.422 2.692 -9.457 448 HA PRO 57 HA PRO 57 2.903 12.336 -6.556 449 HB2 PRO 57 1HB PRO 57 2.555 14.220 -8.480 450 HB3 PRO 57 2HB PRO 57 4.145 13.607 -8.012 451 HG2 PRO 57 1HG PRO 57 2.434 12.844 -10.347 452 HG3 PRO 57 2HG PRO 57 4.183 13.134 -10.288 453 HD2 PRO 57 1HD PRO 57 3.117 10.645 -10.284 454 HD3 PRO 57 2HD PRO 57 4.628 11.038 -9.439 455 H ALA 58 H ALA 58 0.739 10.788 -8.582 456 HA ALA 58 HA ALA 58 -1.449 12.649 -8.353 457 HB1 ALA 58 3HB ALA 58 -1.932 11.474 -10.198 458 HB2 ALA 58 1HB ALA 58 -0.952 10.097 -9.694 459 HB3 ALA 58 2HB ALA 58 -2.595 10.281 -9.081 460 H ASP 59 H ASP 59 -0.883 9.352 -7.104 461 HA ASP 59 HA ASP 59 -2.549 10.059 -4.778 462 HB2 ASP 59 1HB ASP 59 -3.451 7.819 -4.733 463 HB3 ASP 59 2HB ASP 59 -3.706 8.494 -6.340 464 H SER 60 H SER 60 0.389 10.112 -5.226 465 HA SER 60 HA SER 60 2.350 9.321 -4.316 466 HB2 SER 60 1HB SER 60 2.255 9.307 -1.814 467 HB3 SER 60 2HB SER 60 1.531 10.742 -2.540 468 HG SER 60 HG SER 60 -0.336 10.185 -1.750 469 H GLY 61 H GLY 61 0.626 7.219 -5.386 470 HA2 GLY 61 1HA GLY 61 0.980 4.923 -5.558 471 HA3 GLY 61 2HA GLY 61 1.922 4.983 -4.075 472 H LEU 62 H LEU 62 -0.318 6.454 -2.724 473 HA LEU 62 HA LEU 62 -1.468 4.521 -1.251 474 HB2 LEU 62 1HB LEU 62 -1.884 6.763 -0.664 475 HB3 LEU 62 2HB LEU 62 -2.638 7.111 -2.218 476 HG LEU 62 HG LEU 62 -4.567 5.732 -1.578 477 HD11 LEU 62 1HD1 LEU 62 -4.539 5.351 1.068 478 HD12 LEU 62 2HD1 LEU 62 -2.822 5.131 0.729 479 HD13 LEU 62 3HD1 LEU 62 -4.018 4.124 -0.087 480 HD21 LEU 62 3HD2 LEU 62 -4.709 8.085 -1.149 481 HD22 LEU 62 1HD2 LEU 62 -3.796 7.917 0.351 482 HD23 LEU 62 2HD2 LEU 62 -5.416 7.229 0.223 483 H GLY 63 H GLY 63 -2.797 5.737 -4.321 484 HA2 GLY 63 1HA GLY 63 -5.095 4.183 -4.438 485 HA3 GLY 63 2HA GLY 63 -4.207 4.752 -5.843 486 H LYS 64 H LYS 64 -1.933 3.411 -5.898 487 HA LYS 64 HA LYS 64 -2.570 0.913 -6.901 488 HB2 LYS 64 1HB LYS 64 -0.366 2.382 -7.001 489 HB3 LYS 64 2HB LYS 64 0.127 1.320 -5.688 490 HG2 LYS 64 1HG LYS 64 0.948 0.403 -7.722 491 HG3 LYS 64 2HG LYS 64 -0.375 -0.624 -7.165 492 HD2 LYS 64 1HD LYS 64 -1.825 0.139 -8.819 493 HD3 LYS 64 2HD LYS 64 -0.885 1.605 -9.102 494 HE2 LYS 64 1HE LYS 64 0.964 0.060 -9.929 495 HE3 LYS 64 2HE LYS 64 -0.257 -1.211 -9.944 496 HZ1 LYS 64 3HZ LYS 64 -0.985 1.265 -11.275 497 HZ2 LYS 64 1HZ LYS 64 -1.271 -0.338 -11.736 498 HZ3 LYS 64 2HZ LYS 64 0.241 0.367 -12.020 499 H LEU 65 H LEU 65 -1.755 1.858 -3.628 500 HA LEU 65 HA LEU 65 -1.409 -0.799 -2.639 501 HB2 LEU 65 1HB LEU 65 -0.450 1.252 -1.598 502 HB3 LEU 65 2HB LEU 65 -2.079 1.700 -1.094 503 HG LEU 65 HG LEU 65 -0.608 0.653 0.671 504 HD11 LEU 65 1HD1 LEU 65 -2.770 -1.210 0.720 505 HD12 LEU 65 2HD1 LEU 65 -3.349 0.340 0.111 506 HD13 LEU 65 3HD1 LEU 65 -2.541 0.254 1.676 507 HD21 LEU 65 3HD2 LEU 65 -1.268 -1.989 -0.541 508 HD22 LEU 65 1HD2 LEU 65 0.006 -1.556 0.600 509 HD23 LEU 65 2HD2 LEU 65 0.161 -1.118 -1.102 510 H ILE 66 H ILE 66 -4.041 1.585 -2.394 511 HA ILE 66 HA ILE 66 -5.845 0.168 -0.885 512 HB ILE 66 HB ILE 66 -6.288 2.082 -3.162 513 HG12 ILE 66 1HG1 ILE 66 -6.981 2.412 -0.249 514 HG13 ILE 66 2HG1 ILE 66 -5.365 2.756 -0.857 515 HG21 ILE 66 1HG2 ILE 66 -8.666 2.166 -2.485 516 HG22 ILE 66 2HG2 ILE 66 -8.199 0.617 -3.186 517 HG23 ILE 66 3HG2 ILE 66 -8.388 0.773 -1.440 518 HD11 ILE 66 3HD1 ILE 66 -6.744 4.765 -0.676 519 HD12 ILE 66 1HD1 ILE 66 -6.256 4.445 -2.340 520 HD13 ILE 66 2HD1 ILE 66 -7.897 4.068 -1.814 521 H GLU 67 H GLU 67 -5.495 0.064 -4.428 522 HA GLU 67 HA GLU 67 -7.512 -1.784 -4.954 523 HB2 GLU 67 1HB GLU 67 -4.917 -1.251 -6.401 524 HB3 GLU 67 2HB GLU 67 -6.177 -2.306 -7.028 525 HG2 GLU 67 1HG GLU 67 -7.722 -0.268 -6.744 526 HG3 GLU 67 2HG GLU 67 -6.226 0.658 -6.638 527 H PHE 68 H PHE 68 -4.093 -2.306 -4.187 528 HA PHE 68 HA PHE 68 -3.957 -5.050 -4.567 529 HB2 PHE 68 1HB PHE 68 -1.923 -3.922 -4.157 530 HB3 PHE 68 2HB PHE 68 -2.524 -3.208 -2.664 531 HD1 PHE 68 HD1 PHE 68 -1.515 -6.413 -4.222 532 HD2 PHE 68 HD2 PHE 68 -2.195 -4.270 -0.607 533 HE1 PHE 68 HE1 PHE 68 -0.511 -8.259 -2.943 534 HE2 PHE 68 HE2 PHE 68 -1.191 -6.112 0.678 535 HZ PHE 68 HZ PHE 68 -0.346 -8.109 -0.490 536 H CYS 69 H CYS 69 -5.318 -3.216 -1.920 537 HA CYS 69 HA CYS 69 -5.607 -5.468 -0.167 538 HB2 CYS 69 1HB CYS 69 -6.923 -2.744 -0.081 539 HB3 CYS 69 2HB CYS 69 -6.950 -3.932 1.217 540 HG CYS 69 HG CYS 69 -4.723 -1.617 0.595 541 H GLU 70 H GLU 70 -7.679 -3.737 -2.437 542 HA GLU 70 HA GLU 70 -10.142 -4.820 -1.818 543 HB2 GLU 70 1HB GLU 70 -8.983 -4.085 -4.508 544 HB3 GLU 70 2HB GLU 70 -10.673 -4.501 -4.262 545 HG2 GLU 70 1HG GLU 70 -10.863 -2.626 -2.666 546 HG3 GLU 70 2HG GLU 70 -9.199 -2.182 -3.039 547 H GLU 71 H GLU 71 -7.779 -6.096 -4.165 548 HA GLU 71 HA GLU 71 -9.112 -8.354 -4.981 549 HB2 GLU 71 1HB GLU 71 -7.122 -9.070 -5.867 550 HB3 GLU 71 2HB GLU 71 -6.735 -7.377 -5.585 551 HG2 GLU 71 1HG GLU 71 -5.660 -7.988 -3.467 552 HG3 GLU 71 2HG GLU 71 -6.015 -9.684 -3.791 553 H VAL 72 H VAL 72 -7.714 -7.699 -1.898 554 HA VAL 72 HA VAL 72 -8.091 -10.503 -1.083 555 HB VAL 72 HB VAL 72 -6.633 -8.433 0.538 556 HG11 VAL 72 1HG1 VAL 72 -6.707 -11.438 0.479 557 HG12 VAL 72 2HG1 VAL 72 -5.455 -10.534 1.333 558 HG13 VAL 72 3HG1 VAL 72 -7.148 -10.359 1.801 559 HG21 VAL 72 3HG2 VAL 72 -5.683 -9.960 -1.840 560 HG22 VAL 72 1HG2 VAL 72 -5.309 -8.312 -1.334 561 HG23 VAL 72 2HG2 VAL 72 -4.569 -9.680 -0.502 562 HA PRO 73 HA PRO 73 -11.689 -9.169 1.131 563 HB2 PRO 73 1HB PRO 73 -12.082 -11.463 2.529 564 HB3 PRO 73 2HB PRO 73 -12.476 -11.304 0.813 565 HG2 PRO 73 1HG PRO 73 -10.064 -12.525 2.096 566 HG3 PRO 73 2HG PRO 73 -11.024 -13.117 0.728 567 HD2 PRO 73 1HD PRO 73 -8.662 -11.833 0.404 568 HD3 PRO 73 2HD PRO 73 -9.987 -11.707 -0.772 569 H ALA 74 H ALA 74 -8.836 -10.500 2.687 570 HA ALA 74 HA ALA 74 -9.628 -9.681 5.333 571 HB1 ALA 74 3HB ALA 74 -7.705 -11.421 4.254 572 HB2 ALA 74 1HB ALA 74 -6.815 -10.176 5.130 573 HB3 ALA 74 2HB ALA 74 -8.057 -11.118 5.955 574 H LEU 75 H LEU 75 -8.263 -8.143 2.646 575 HA LEU 75 HA LEU 75 -7.056 -6.043 4.312 576 HB2 LEU 75 1HB LEU 75 -6.743 -6.580 1.362 577 HB3 LEU 75 2HB LEU 75 -5.934 -5.300 2.264 578 HG LEU 75 HG LEU 75 -5.493 -8.272 2.525 579 HD11 LEU 75 1HD1 LEU 75 -3.907 -5.991 1.399 580 HD12 LEU 75 2HD1 LEU 75 -4.319 -7.533 0.651 581 HD13 LEU 75 3HD1 LEU 75 -3.127 -7.474 1.949 582 HD21 LEU 75 3HD2 LEU 75 -5.187 -7.635 4.704 583 HD22 LEU 75 1HD2 LEU 75 -4.720 -5.989 4.274 584 HD23 LEU 75 2HD2 LEU 75 -3.579 -7.316 4.050 585 H ARG 76 H ARG 76 -9.676 -6.763 2.211 586 HA ARG 76 HA ARG 76 -10.362 -4.347 1.101 587 HB2 ARG 76 1HB ARG 76 -11.909 -6.700 2.057 588 HB3 ARG 76 2HB ARG 76 -12.811 -5.233 1.704 589 HG2 ARG 76 1HG ARG 76 -11.787 -5.216 -0.559 590 HG3 ARG 76 2HG ARG 76 -11.049 -6.774 -0.185 591 HD2 ARG 76 1HD ARG 76 -12.962 -7.434 -1.276 592 HD3 ARG 76 2HD ARG 76 -13.496 -7.465 0.404 593 HE ARG 76 HE ARG 76 -14.896 -5.691 -0.033 594 HH11 ARG 76 1HH1 ARG 76 -12.714 -6.158 -2.705 595 HH12 ARG 76 2HH1 ARG 76 -13.555 -5.062 -3.752 596 HH21 ARG 76 1HH2 ARG 76 -16.010 -4.246 -1.400 597 HH22 ARG 76 2HH2 ARG 76 -15.429 -3.974 -3.009 598 H LYS 77 H LYS 77 -11.265 -5.527 4.336 599 HA LYS 77 HA LYS 77 -12.725 -3.315 5.174 600 HB2 LYS 77 1HB LYS 77 -12.583 -5.484 6.381 601 HB3 LYS 77 2HB LYS 77 -10.952 -5.065 6.889 602 HG2 LYS 77 1HG LYS 77 -12.365 -4.580 8.710 603 HG3 LYS 77 2HG LYS 77 -11.939 -3.026 7.987 604 HD2 LYS 77 1HD LYS 77 -14.079 -2.983 6.808 605 HD3 LYS 77 2HD LYS 77 -14.502 -4.547 7.508 606 HE2 LYS 77 1HE LYS 77 -15.577 -3.150 8.965 607 HE3 LYS 77 2HE LYS 77 -14.015 -3.289 9.769 608 HZ1 LYS 77 3HZ LYS 77 -13.578 -1.142 9.434 609 HZ2 LYS 77 1HZ LYS 77 -15.229 -0.968 9.104 610 HZ3 LYS 77 2HZ LYS 77 -14.129 -1.164 7.834 611 H ARG 78 H ARG 78 -9.328 -3.682 4.733 612 HA ARG 78 HA ARG 78 -8.650 -1.389 6.377 613 HB2 ARG 78 1HB ARG 78 -7.214 -3.512 6.001 614 HB3 ARG 78 2HB ARG 78 -6.775 -2.761 4.473 615 HG2 ARG 78 1HG ARG 78 -5.064 -2.130 5.901 616 HG3 ARG 78 2HG ARG 78 -6.128 -0.722 5.893 617 HD2 ARG 78 1HD ARG 78 -5.473 -1.163 8.155 618 HD3 ARG 78 2HD ARG 78 -7.177 -1.581 7.978 619 HE ARG 78 HE ARG 78 -5.441 -3.821 7.581 620 HH11 ARG 78 1HH1 ARG 78 -7.040 -1.867 9.979 621 HH12 ARG 78 2HH1 ARG 78 -7.063 -3.122 11.173 622 HH21 ARG 78 1HH2 ARG 78 -5.465 -5.480 9.145 623 HH22 ARG 78 2HH2 ARG 78 -6.167 -5.176 10.698 624 H ALA 79 H ALA 79 -8.772 -2.241 2.943 625 HA ALA 79 HA ALA 79 -7.687 0.010 1.798 626 HB1 ALA 79 3HB ALA 79 -8.465 -0.815 -0.139 627 HB2 ALA 79 1HB ALA 79 -8.946 -2.196 0.847 628 HB3 ALA 79 2HB ALA 79 -10.120 -0.937 0.458 629 H GLU 80 H GLU 80 -11.197 -0.463 2.260 630 HA GLU 80 HA GLU 80 -12.131 1.993 1.613 631 HB2 GLU 80 1HB GLU 80 -13.968 1.636 3.207 632 HB3 GLU 80 2HB GLU 80 -13.596 0.174 2.303 633 HG2 GLU 80 1HG GLU 80 -13.782 -0.717 4.376 634 HG3 GLU 80 2HG GLU 80 -12.067 -0.307 4.401 635 H ILE 81 H ILE 81 -10.838 1.083 4.796 636 HA ILE 81 HA ILE 81 -11.225 3.468 6.140 637 HB ILE 81 HB ILE 81 -9.024 1.429 6.385 638 HG12 ILE 81 1HG1 ILE 81 -11.276 2.086 8.287 639 HG13 ILE 81 2HG1 ILE 81 -11.431 0.892 7.002 640 HG21 ILE 81 1HG2 ILE 81 -8.980 2.767 8.754 641 HG22 ILE 81 2HG2 ILE 81 -7.842 3.022 7.432 642 HG23 ILE 81 3HG2 ILE 81 -9.240 4.082 7.609 643 HD11 ILE 81 3HD1 ILE 81 -10.924 -0.301 8.962 644 HD12 ILE 81 1HD1 ILE 81 -9.436 -0.269 8.016 645 HD13 ILE 81 2HD1 ILE 81 -9.628 0.813 9.397 646 H LEU 82 H LEU 82 -8.511 2.515 4.068 647 HA LEU 82 HA LEU 82 -7.057 4.936 4.445 648 HB2 LEU 82 1HB LEU 82 -6.880 2.850 2.277 649 HB3 LEU 82 2HB LEU 82 -5.726 4.160 2.512 650 HG LEU 82 HG LEU 82 -6.237 2.217 4.727 651 HD11 LEU 82 1HD1 LEU 82 -4.010 1.631 2.879 652 HD12 LEU 82 2HD1 LEU 82 -5.629 1.207 2.321 653 HD13 LEU 82 3HD1 LEU 82 -5.015 0.541 3.834 654 HD21 LEU 82 3HD2 LEU 82 -3.543 3.197 4.103 655 HD22 LEU 82 1HD2 LEU 82 -4.396 3.113 5.644 656 HD23 LEU 82 2HD2 LEU 82 -4.705 4.452 4.538 657 H LYS 83 H LYS 83 -9.774 4.100 2.577 658 HA LYS 83 HA LYS 83 -9.359 6.096 0.527 659 HB2 LYS 83 1HB LYS 83 -11.881 4.558 1.160 660 HB3 LYS 83 2HB LYS 83 -11.506 5.407 -0.333 661 HG2 LYS 83 1HG LYS 83 -9.463 3.756 -0.376 662 HG3 LYS 83 2HG LYS 83 -10.511 2.791 0.666 663 HD2 LYS 83 1HD LYS 83 -11.702 3.932 -1.802 664 HD3 LYS 83 2HD LYS 83 -10.569 2.591 -1.986 665 HE2 LYS 83 1HE LYS 83 -12.719 1.622 -1.821 666 HE3 LYS 83 2HE LYS 83 -11.939 1.359 -0.262 667 HZ1 LYS 83 3HZ LYS 83 -13.801 2.225 0.575 668 HZ2 LYS 83 1HZ LYS 83 -14.288 2.891 -0.902 669 HZ3 LYS 83 2HZ LYS 83 -13.196 3.726 0.083 670 H LYS 84 H LYS 84 -11.305 5.715 3.448 671 HA LYS 84 HA LYS 84 -12.949 7.935 3.237 672 HB2 LYS 84 1HB LYS 84 -12.728 6.043 5.072 673 HB3 LYS 84 2HB LYS 84 -11.759 7.260 5.893 674 HG2 LYS 84 1HG LYS 84 -13.824 8.794 5.376 675 HG3 LYS 84 2HG LYS 84 -14.668 7.247 5.277 676 HD2 LYS 84 1HD LYS 84 -14.910 7.858 7.513 677 HD3 LYS 84 2HD LYS 84 -13.550 6.732 7.538 678 HE2 LYS 84 1HE LYS 84 -12.902 8.548 8.894 679 HE3 LYS 84 2HE LYS 84 -12.046 8.764 7.369 680 HZ1 LYS 84 3HZ LYS 84 -13.959 10.270 6.734 681 HZ2 LYS 84 1HZ LYS 84 -12.894 10.860 7.909 682 HZ3 LYS 84 2HZ LYS 84 -14.403 10.246 8.366 683 H GLU 85 H GLU 85 -9.782 7.757 4.873 684 HA GLU 85 HA GLU 85 -9.631 10.535 5.392 685 HB2 GLU 85 1HB GLU 85 -7.264 10.103 5.911 686 HB3 GLU 85 2HB GLU 85 -8.328 8.935 6.679 687 HG2 GLU 85 1HG GLU 85 -7.801 7.304 4.945 688 HG3 GLU 85 2HG GLU 85 -6.740 8.476 4.164 689 H ARG 86 H ARG 86 -8.283 8.495 2.825 690 HA ARG 86 HA ARG 86 -6.611 10.067 1.462 691 HB2 ARG 86 1HB ARG 86 -7.258 7.906 0.603 692 HB3 ARG 86 2HB ARG 86 -8.890 8.477 0.280 693 HG2 ARG 86 1HG ARG 86 -7.893 10.106 -1.347 694 HG3 ARG 86 2HG ARG 86 -6.356 9.266 -1.128 695 HD2 ARG 86 1HD ARG 86 -7.585 7.143 -1.758 696 HD3 ARG 86 2HD ARG 86 -8.925 8.177 -2.252 697 HE ARG 86 HE ARG 86 -6.404 7.814 -3.616 698 HH11 ARG 86 1HH1 ARG 86 -9.230 9.810 -3.222 699 HH12 ARG 86 2HH1 ARG 86 -9.081 10.556 -4.778 700 HH21 ARG 86 1HH2 ARG 86 -6.197 8.790 -5.668 701 HH22 ARG 86 2HH2 ARG 86 -7.355 9.974 -6.169 702 H SER 87 H SER 87 -10.134 10.241 0.905 703 HA SER 87 HA SER 87 -9.791 12.858 -0.337 704 HB2 SER 87 1HB SER 87 -11.957 10.806 -0.283 705 HB3 SER 87 2HB SER 87 -12.416 12.487 -0.557 706 HG SER 87 HG SER 87 -11.229 12.522 -2.393 707 H GLU 88 H GLU 88 -10.602 14.749 0.466 708 HA GLU 88 HA GLU 88 -11.663 14.636 3.212 709 HB2 GLU 88 1HB GLU 88 -10.789 17.141 3.115 710 HB3 GLU 88 2HB GLU 88 -9.726 15.806 3.533 711 HG2 GLU 88 1HG GLU 88 -8.579 15.915 1.573 712 HG3 GLU 88 2HG GLU 88 -9.956 16.547 0.672 713 H SER 89 H SER 89 -13.821 14.444 2.432 714 HA SER 89 HA SER 89 -15.839 15.175 1.644 715 HB2 SER 89 1HB SER 89 -15.426 16.594 3.693 716 HB3 SER 89 2HB SER 89 -14.872 17.872 2.612 717 HG SER 89 HG SER 89 -17.381 17.196 3.269 718 H GLY 90 H GLY 90 -13.975 15.012 -0.397 719 HA2 GLY 90 1HA GLY 90 -13.417 17.145 -1.988 720 HA3 GLY 90 2HA GLY 90 -13.901 15.584 -2.632 721 HA PRO 91 HA PRO 91 -17.172 19.082 -3.193 722 HB2 PRO 91 1HB PRO 91 -16.353 20.221 -5.517 723 HB3 PRO 91 2HB PRO 91 -15.867 20.823 -3.929 724 HG2 PRO 91 1HG PRO 91 -14.363 19.067 -5.829 725 HG3 PRO 91 2HG PRO 91 -13.777 20.441 -4.874 726 HD2 PRO 91 1HD PRO 91 -13.371 17.869 -4.129 727 HD3 PRO 91 2HD PRO 91 -13.581 19.183 -2.953 728 H SER 92 H SER 92 -18.868 17.955 -3.903 729 HA SER 92 HA SER 92 -18.677 16.646 -6.535 730 HB2 SER 92 1HB SER 92 -18.735 15.100 -4.463 731 HB3 SER 92 2HB SER 92 -20.424 15.587 -4.322 732 HG SER 92 HG SER 92 -19.621 13.645 -5.733 733 H SER 93 H SER 93 -19.919 17.710 -7.917 734 HA SER 93 HA SER 93 -22.459 18.845 -6.945 735 HB2 SER 93 1HB SER 93 -20.564 20.345 -7.953 736 HB3 SER 93 2HB SER 93 -21.150 19.728 -9.498 737 HG SER 93 HG SER 93 -23.313 20.408 -8.412 738 H GLY 94 H GLY 94 -24.181 17.712 -7.529 739 HA2 GLY 94 1HA GLY 94 -25.696 16.904 -9.156 740 HA3 GLY 94 2HA GLY 94 -24.355 16.707 -10.274
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