NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613696 | 5mmc | 34073 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 15 HT1 LYS 15 28.677 3.722 -2.249 2 H2 LYS 15 HT2 LYS 15 27.866 2.438 -2.988 3 H3 LYS 15 HT3 LYS 15 29.442 2.226 -2.424 4 HA LYS 15 HA LYS 15 28.716 2.551 -0.154 5 HB2 LYS 15 HB2 LYS 15 26.293 2.604 0.320 6 HB3 LYS 15 HB1 LYS 15 26.813 4.014 -0.594 7 HG2 LYS 15 HG2 LYS 15 25.709 3.363 -2.496 8 HG3 LYS 15 HG1 LYS 15 25.766 1.652 -2.073 9 HD2 LYS 15 HD2 LYS 15 24.084 1.986 -0.365 10 HD3 LYS 15 HD1 LYS 15 24.076 3.720 -0.682 11 HE2 LYS 15 HE2 LYS 15 23.156 3.399 -2.852 12 HE3 LYS 15 HE1 LYS 15 23.405 1.657 -2.765 13 HZ1 LYS 15 HZ1 LYS 15 21.722 1.456 -1.137 14 HZ2 LYS 15 HZ2 LYS 15 21.078 2.413 -2.374 15 HZ3 LYS 15 HZ3 LYS 15 21.597 3.134 -0.937 16 HA PRO 16 HA PRO 16 28.115 -1.902 -0.281 17 HB2 PRO 16 HB2 PRO 16 27.686 -2.321 2.369 18 HB3 PRO 16 HB1 PRO 16 29.295 -2.021 1.702 19 HG2 PRO 16 HG2 PRO 16 27.428 -0.128 3.074 20 HG3 PRO 16 HG1 PRO 16 29.183 -0.305 3.267 21 HD2 PRO 16 HD2 PRO 16 28.062 1.653 1.762 22 HD3 PRO 16 HD1 PRO 16 29.639 0.935 1.377 23 H GLU 17 HN GLU 17 26.239 -2.702 -1.046 24 HA GLU 17 HA GLU 17 23.745 -1.485 -0.250 25 HB2 GLU 17 HB2 GLU 17 24.449 -2.153 -2.656 26 HB3 GLU 17 HB1 GLU 17 23.990 -3.780 -2.173 27 HG2 GLU 17 HG2 GLU 17 22.138 -2.792 -3.293 28 HG3 GLU 17 HG1 GLU 17 21.741 -2.902 -1.577 29 H VAL 18 HN VAL 18 23.326 -2.155 1.764 30 HA VAL 18 HA VAL 18 23.374 -4.998 2.408 31 HB VAL 18 HB VAL 18 22.802 -2.641 4.210 32 HG11 VAL 18 HG11 VAL 18 23.475 -5.507 4.876 33 HG12 VAL 18 HG12 VAL 18 21.892 -4.748 5.048 34 HG13 VAL 18 HG13 VAL 18 23.244 -4.199 6.037 35 HG21 VAL 18 HG21 VAL 18 25.094 -2.855 4.977 36 HG22 VAL 18 HG22 VAL 18 25.063 -2.567 3.235 37 HG23 VAL 18 HG23 VAL 18 25.366 -4.189 3.857 38 H GLU 19 HN GLU 19 21.150 -2.316 2.057 39 HA GLU 19 HA GLU 19 18.923 -4.232 2.174 40 HB2 GLU 19 HB2 GLU 19 17.508 -2.551 3.236 41 HB3 GLU 19 HB1 GLU 19 18.918 -2.873 4.232 42 HG2 GLU 19 HG2 GLU 19 19.955 -0.826 3.513 43 HG3 GLU 19 HG1 GLU 19 18.649 -0.526 2.368 44 H HIS 20 HN HIS 20 16.870 -2.697 1.348 45 HA HIS 20 HA HIS 20 17.738 -1.710 -1.274 46 HB2 HIS 20 HB2 HIS 20 15.012 -2.513 -0.238 47 HB3 HIS 20 HB1 HIS 20 15.268 -1.761 -1.809 48 HD1 HIS 20 HD1 HIS 20 14.873 -4.976 -0.349 49 HD2 HIS 20 HD2 HIS 20 17.273 -3.427 -3.372 50 HE1 HIS 20 HE1 HIS 20 15.590 -6.953 -1.726 51 HE2 HIS 20 HE2 HIS 20 17.156 -6.008 -3.455 52 H THR 21 HN THR 21 16.572 0.271 -2.072 53 HA THR 21 HA THR 21 17.070 2.426 -0.363 54 HB THR 21 HB THR 21 15.262 2.434 -2.788 55 HG1 THR 21 HG1 THR 21 18.007 2.121 -2.489 56 HG21 THR 21 HG21 THR 21 15.957 4.759 -3.016 57 HG22 THR 21 HG22 THR 21 16.963 4.618 -1.577 58 HG23 THR 21 HG23 THR 21 15.210 4.501 -1.439 59 H HIS 22 HN HIS 22 15.999 2.495 1.566 60 HA HIS 22 HA HIS 22 13.286 1.675 1.818 61 HB2 HIS 22 HB2 HIS 22 13.435 2.178 4.131 62 HB3 HIS 22 HB1 HIS 22 14.987 1.519 3.658 63 HD1 HIS 22 HD1 HIS 22 13.485 4.273 5.434 64 HD2 HIS 22 HD2 HIS 22 17.017 3.677 3.328 65 HE1 HIS 22 HE1 HIS 22 15.034 6.105 6.177 66 HE2 HIS 22 HE2 HIS 22 17.148 5.757 4.857 67 H SER 23 HN SER 23 14.809 4.713 1.169 68 HA SER 23 HA SER 23 12.655 6.389 1.892 69 HB2 SER 23 HB2 SER 23 14.722 6.809 -0.281 70 HB3 SER 23 HB1 SER 23 13.723 8.060 0.460 71 HG SER 23 HG SER 23 16.055 7.384 1.254 72 H GLU 24 HN GLU 24 13.374 4.465 -0.934 73 HA GLU 24 HA GLU 24 11.336 5.551 -2.600 74 HB2 GLU 24 HB2 GLU 24 13.350 4.327 -3.428 75 HB3 GLU 24 HB1 GLU 24 12.672 2.844 -2.774 76 HG2 GLU 24 HG2 GLU 24 10.728 3.114 -4.261 77 HG3 GLU 24 HG1 GLU 24 11.488 4.548 -4.950 78 H ARG 25 HN ARG 25 11.579 2.725 -0.480 79 HA ARG 25 HA ARG 25 8.973 1.759 -0.942 80 HB2 ARG 25 HB2 ARG 25 10.275 0.161 0.068 81 HB3 ARG 25 HB1 ARG 25 11.098 1.327 1.095 82 HG2 ARG 25 HG2 ARG 25 9.301 1.406 2.611 83 HG3 ARG 25 HG1 ARG 25 8.234 0.541 1.506 84 HD2 ARG 25 HD2 ARG 25 10.743 -0.649 2.670 85 HD3 ARG 25 HD1 ARG 25 9.153 -0.821 3.413 86 HE ARG 25 HE ARG 25 9.186 -1.609 0.657 87 HH11 ARG 25 HH11 ARG 25 9.857 -2.670 3.925 88 HH12 ARG 25 HH12 ARG 25 9.609 -4.350 3.570 89 HH21 ARG 25 HH21 ARG 25 8.893 -3.824 0.178 90 HH22 ARG 25 HH22 ARG 25 9.064 -5.008 1.430 91 H GLU 26 HN GLU 26 10.340 3.873 1.557 92 HA GLU 26 HA GLU 26 8.044 4.299 3.057 93 HB2 GLU 26 HB2 GLU 26 10.250 4.961 3.809 94 HB3 GLU 26 HB1 GLU 26 10.376 6.138 2.511 95 HG2 GLU 26 HG2 GLU 26 8.652 7.476 3.478 96 HG3 GLU 26 HG1 GLU 26 8.326 6.254 4.705 97 H LYS 27 HN LYS 27 9.161 5.998 0.137 98 HA LYS 27 HA LYS 27 7.097 7.963 0.262 99 HB2 LYS 27 HB2 LYS 27 7.895 8.784 -1.790 100 HB3 LYS 27 HB1 LYS 27 9.319 8.177 -0.961 101 HG2 LYS 27 HG2 LYS 27 9.211 6.129 -2.307 102 HG3 LYS 27 HG1 LYS 27 7.809 6.780 -3.158 103 HD2 LYS 27 HD2 LYS 27 9.267 8.749 -3.785 104 HD3 LYS 27 HD1 LYS 27 10.634 7.821 -3.166 105 HE2 LYS 27 HE2 LYS 27 10.519 7.494 -5.532 106 HE3 LYS 27 HE1 LYS 27 10.026 5.997 -4.745 107 HZ1 LYS 27 HZ1 LYS 27 8.178 8.036 -5.856 108 HZ2 LYS 27 HZ2 LYS 27 7.721 6.575 -5.145 109 HZ3 LYS 27 HZ3 LYS 27 8.582 6.573 -6.602 110 H ARG 28 HN ARG 28 7.373 4.798 -1.257 111 HA ARG 28 HA ARG 28 5.013 5.010 -2.821 112 HB2 ARG 28 HB2 ARG 28 6.531 2.631 -1.764 113 HB3 ARG 28 HB1 ARG 28 5.056 2.460 -2.701 114 HG2 ARG 28 HG2 ARG 28 6.177 3.795 -4.510 115 HG3 ARG 28 HG1 ARG 28 7.672 3.633 -3.586 116 HD2 ARG 28 HD2 ARG 28 5.982 1.365 -4.638 117 HD3 ARG 28 HD1 ARG 28 7.500 1.926 -5.332 118 HE ARG 28 HE ARG 28 7.172 0.502 -2.776 119 HH11 ARG 28 HH11 ARG 28 9.200 1.685 -5.369 120 HH12 ARG 28 HH12 ARG 28 10.640 0.916 -4.780 121 HH21 ARG 28 HH21 ARG 28 9.044 -0.526 -1.992 122 HH22 ARG 28 HH22 ARG 28 10.547 -0.355 -2.854 123 H VAL 29 HN VAL 29 5.671 3.724 0.412 124 HA VAL 29 HA VAL 29 3.029 3.023 1.059 125 HB VAL 29 HB VAL 29 5.267 3.947 2.878 126 HG11 VAL 29 HG11 VAL 29 3.119 4.232 3.995 127 HG12 VAL 29 HG12 VAL 29 4.008 2.881 4.699 128 HG13 VAL 29 HG13 VAL 29 2.672 2.576 3.588 129 HG21 VAL 29 HG21 VAL 29 5.819 1.937 1.649 130 HG22 VAL 29 HG22 VAL 29 4.288 1.197 2.119 131 HG23 VAL 29 HG23 VAL 29 5.515 1.536 3.339 132 H SER 30 HN SER 30 4.790 6.066 1.292 133 HA SER 30 HA SER 30 2.890 7.591 2.643 134 HB2 SER 30 HB2 SER 30 5.197 8.350 2.156 135 HB3 SER 30 HB1 SER 30 4.778 8.500 0.453 136 HG SER 30 HG SER 30 3.150 9.837 2.280 137 H ASN 31 HN ASN 31 3.287 7.003 -0.831 138 HA ASN 31 HA ASN 31 1.123 8.546 -1.729 139 HB2 ASN 31 HB2 ASN 31 2.726 6.301 -2.856 140 HB3 ASN 31 HB1 ASN 31 1.196 6.685 -3.638 141 HD21 ASN 31 HD21 ASN 31 4.402 7.810 -2.896 142 HD22 ASN 31 HD22 ASN 31 4.402 9.134 -4.007 143 H ALA 32 HN ALA 32 1.296 5.259 -0.545 144 HA ALA 32 HA ALA 32 -1.374 4.564 -1.289 145 HB1 ALA 32 HB1 ALA 32 0.301 2.848 -1.043 146 HB2 ALA 32 HB2 ALA 32 -1.002 2.582 0.116 147 HB3 ALA 32 HB3 ALA 32 0.528 3.276 0.652 148 H VAL 33 HN VAL 33 0.179 5.573 1.727 149 HA VAL 33 HA VAL 33 -2.101 5.315 3.350 150 HB VAL 33 HB VAL 33 0.300 7.128 3.686 151 HG11 VAL 33 HG11 VAL 33 -1.581 7.918 5.046 152 HG12 VAL 33 HG12 VAL 33 -0.297 7.241 6.050 153 HG13 VAL 33 HG13 VAL 33 -1.757 6.303 5.734 154 HG21 VAL 33 HG21 VAL 33 1.067 5.374 5.236 155 HG22 VAL 33 HG22 VAL 33 0.884 4.777 3.587 156 HG23 VAL 33 HG23 VAL 33 -0.337 4.398 4.800 157 H GLU 34 HN GLU 34 -0.890 8.039 1.428 158 HA GLU 34 HA GLU 34 -2.871 9.869 2.319 159 HB2 GLU 34 HB2 GLU 34 -2.124 11.319 0.569 160 HB3 GLU 34 HB1 GLU 34 -0.711 10.508 1.225 161 HG2 GLU 34 HG2 GLU 34 -0.665 8.993 -0.654 162 HG3 GLU 34 HG1 GLU 34 -2.131 9.723 -1.303 163 H PHE 35 HN PHE 35 -2.699 7.584 -0.356 164 HA PHE 35 HA PHE 35 -5.074 8.467 -1.659 165 HB2 PHE 35 HB2 PHE 35 -3.338 7.264 -2.877 166 HB3 PHE 35 HB1 PHE 35 -3.553 5.857 -1.845 167 HD1 PHE 35 HD1 PHE 35 -5.091 4.198 -2.406 168 HD2 PHE 35 HD2 PHE 35 -5.291 7.985 -4.334 169 HE1 PHE 35 HE1 PHE 35 -6.753 3.302 -3.980 170 HE2 PHE 35 HE2 PHE 35 -6.960 7.098 -5.911 171 HZ PHE 35 HZ PHE 35 -7.692 4.754 -5.734 172 H LEU 36 HN LEU 36 -4.319 5.854 0.601 173 HA LEU 36 HA LEU 36 -6.915 4.739 0.629 174 HB2 LEU 36 HB2 LEU 36 -4.646 4.603 2.593 175 HB3 LEU 36 HB1 LEU 36 -6.129 3.693 2.781 176 HG LEU 36 HG LEU 36 -4.197 3.439 0.478 177 HD11 LEU 36 HD11 LEU 36 -3.662 1.266 1.452 178 HD12 LEU 36 HD12 LEU 36 -4.728 1.611 2.814 179 HD13 LEU 36 HD13 LEU 36 -3.275 2.580 2.563 180 HD21 LEU 36 HD21 LEU 36 -6.459 2.955 -0.220 181 HD22 LEU 36 HD22 LEU 36 -6.691 1.898 1.171 182 HD23 LEU 36 HD23 LEU 36 -5.543 1.454 -0.091 183 H LEU 37 HN LEU 37 -5.452 7.392 2.369 184 HA LEU 37 HA LEU 37 -7.636 7.540 4.260 185 HB2 LEU 37 HB2 LEU 37 -5.041 8.902 3.897 186 HB3 LEU 37 HB1 LEU 37 -6.312 9.861 4.631 187 HG LEU 37 HG LEU 37 -5.354 7.191 5.660 188 HD11 LEU 37 HD11 LEU 37 -3.663 8.939 5.915 189 HD12 LEU 37 HD12 LEU 37 -4.351 8.476 7.472 190 HD13 LEU 37 HD13 LEU 37 -4.855 9.977 6.696 191 HD21 LEU 37 HD21 LEU 37 -7.324 9.202 6.729 192 HD22 LEU 37 HD22 LEU 37 -6.695 7.835 7.649 193 HD23 LEU 37 HD23 LEU 37 -7.666 7.554 6.203 194 H ASP 38 HN ASP 38 -7.531 8.247 1.132 195 HA ASP 38 HA ASP 38 -8.726 10.845 1.098 196 HB2 ASP 38 HB2 ASP 38 -7.552 9.826 -0.860 197 HB3 ASP 38 HB1 ASP 38 -8.851 8.655 -0.992 198 H SER 39 HN SER 39 -10.820 11.372 1.397 199 HA SER 39 HA SER 39 -12.541 9.686 2.746 200 HB2 SER 39 HB2 SER 39 -13.293 12.109 1.102 201 HB3 SER 39 HB1 SER 39 -14.246 11.399 2.403 202 HG SER 39 HG SER 39 -12.264 13.182 2.570 203 H ARG 40 HN ARG 40 -12.528 10.458 -0.716 204 HA ARG 40 HA ARG 40 -14.869 8.961 -1.307 205 HB2 ARG 40 HB2 ARG 40 -12.659 10.102 -2.995 206 HB3 ARG 40 HB1 ARG 40 -13.956 9.141 -3.698 207 HG2 ARG 40 HG2 ARG 40 -15.604 10.707 -2.990 208 HG3 ARG 40 HG1 ARG 40 -14.427 11.595 -2.024 209 HD2 ARG 40 HD2 ARG 40 -14.183 11.273 -5.001 210 HD3 ARG 40 HD1 ARG 40 -15.057 12.611 -4.256 211 HE ARG 40 HE ARG 40 -12.514 12.489 -3.107 212 HH11 ARG 40 HH11 ARG 40 -13.987 13.188 -6.203 213 HH12 ARG 40 HH12 ARG 40 -12.731 14.278 -6.695 214 HH21 ARG 40 HH21 ARG 40 -10.859 13.930 -3.756 215 HH22 ARG 40 HH22 ARG 40 -10.956 14.692 -5.310 216 H VAL 41 HN VAL 41 -11.451 8.187 -1.204 217 HA VAL 41 HA VAL 41 -11.734 5.606 -2.410 218 HB VAL 41 HB VAL 41 -9.503 6.694 -0.685 219 HG11 VAL 41 HG11 VAL 41 -9.558 4.256 -2.461 220 HG12 VAL 41 HG12 VAL 41 -9.497 4.253 -0.699 221 HG13 VAL 41 HG13 VAL 41 -8.140 4.892 -1.628 222 HG21 VAL 41 HG21 VAL 41 -8.342 7.046 -2.809 223 HG22 VAL 41 HG22 VAL 41 -9.845 7.967 -2.736 224 HG23 VAL 41 HG23 VAL 41 -9.767 6.480 -3.680 225 H ARG 42 HN ARG 42 -11.946 6.870 0.843 226 HA ARG 42 HA ARG 42 -11.987 4.433 2.254 227 HB2 ARG 42 HB2 ARG 42 -13.585 6.926 2.874 228 HB3 ARG 42 HB1 ARG 42 -13.210 5.630 3.998 229 HG2 ARG 42 HG2 ARG 42 -10.852 6.181 3.883 230 HG3 ARG 42 HG1 ARG 42 -11.193 7.444 2.697 231 HD2 ARG 42 HD2 ARG 42 -12.752 8.437 4.451 232 HD3 ARG 42 HD1 ARG 42 -11.980 7.340 5.595 233 HE ARG 42 HE ARG 42 -10.037 8.838 4.172 234 HH11 ARG 42 HH11 ARG 42 -12.396 9.123 6.738 235 HH12 ARG 42 HH12 ARG 42 -11.568 10.430 7.524 236 HH21 ARG 42 HH21 ARG 42 -8.948 10.562 5.195 237 HH22 ARG 42 HH22 ARG 42 -9.604 11.243 6.655 238 H ARG 43 HN ARG 43 -14.237 5.836 0.079 239 HA ARG 43 HA ARG 43 -16.465 4.247 1.077 240 HB2 ARG 43 HB2 ARG 43 -16.816 6.620 0.493 241 HB3 ARG 43 HB1 ARG 43 -16.371 6.266 -1.169 242 HG2 ARG 43 HG2 ARG 43 -18.323 5.059 -1.561 243 HG3 ARG 43 HG1 ARG 43 -18.648 4.849 0.160 244 HD2 ARG 43 HD2 ARG 43 -18.689 7.507 -1.260 245 HD3 ARG 43 HD1 ARG 43 -20.122 6.521 -0.966 246 HE ARG 43 HE ARG 43 -19.091 6.764 1.501 247 HH11 ARG 43 HH11 ARG 43 -19.750 9.140 -0.978 248 HH12 ARG 43 HH12 ARG 43 -20.103 10.409 0.150 249 HH21 ARG 43 HH21 ARG 43 -19.549 8.434 2.995 250 HH22 ARG 43 HH22 ARG 43 -19.985 10.009 2.410 251 H THR 44 HN THR 44 -14.041 4.099 -1.362 252 HA THR 44 HA THR 44 -15.474 2.242 -3.033 253 HB THR 44 HB THR 44 -13.061 1.816 -3.917 254 HG1 THR 44 HG1 THR 44 -12.356 3.198 -1.918 255 HG21 THR 44 HG21 THR 44 -14.372 4.512 -4.244 256 HG22 THR 44 HG22 THR 44 -14.777 3.050 -5.143 257 HG23 THR 44 HG23 THR 44 -13.191 3.796 -5.341 258 HA PRO 45 HA PRO 45 -14.577 -1.524 -0.910 259 HB2 PRO 45 HB2 PRO 45 -13.965 -3.220 -2.962 260 HB3 PRO 45 HB1 PRO 45 -15.611 -2.707 -2.576 261 HG2 PRO 45 HG2 PRO 45 -13.751 -1.681 -4.678 262 HG3 PRO 45 HG1 PRO 45 -15.492 -2.004 -4.781 263 HD2 PRO 45 HD2 PRO 45 -14.504 0.489 -4.472 264 HD3 PRO 45 HD1 PRO 45 -16.049 -0.012 -3.761 265 H THR 46 HN THR 46 -12.909 -2.950 -0.264 266 HA THR 46 HA THR 46 -10.369 -1.805 -0.089 267 HB THR 46 HB THR 46 -10.628 -4.753 0.200 268 HG1 THR 46 HG1 THR 46 -12.008 -4.610 1.895 269 HG21 THR 46 HG21 THR 46 -8.591 -3.524 0.886 270 HG22 THR 46 HG22 THR 46 -9.369 -4.352 2.234 271 HG23 THR 46 HG23 THR 46 -9.562 -2.610 2.042 272 H SER 47 HN SER 47 -11.673 -4.243 -2.257 273 HA SER 47 HA SER 47 -9.316 -5.222 -3.364 274 HB2 SER 47 HB2 SER 47 -10.901 -5.690 -5.362 275 HB3 SER 47 HB1 SER 47 -11.267 -6.439 -3.806 276 HG SER 47 HG SER 47 -12.944 -5.110 -5.132 277 H SER 48 HN SER 48 -11.321 -2.473 -4.334 278 HA SER 48 HA SER 48 -9.921 -1.798 -6.665 279 HB2 SER 48 HB2 SER 48 -11.575 -0.130 -4.769 280 HB3 SER 48 HB1 SER 48 -11.027 0.403 -6.349 281 HG SER 48 HG SER 48 -12.278 -2.038 -6.380 282 H LYS 49 HN LYS 49 -9.599 -0.739 -3.315 283 HA LYS 49 HA LYS 49 -7.618 1.212 -3.676 284 HB2 LYS 49 HB2 LYS 49 -7.866 -0.609 -1.285 285 HB3 LYS 49 HB1 LYS 49 -7.202 1.015 -1.320 286 HG2 LYS 49 HG2 LYS 49 -9.409 1.926 -1.756 287 HG3 LYS 49 HG1 LYS 49 -10.088 0.296 -1.781 288 HD2 LYS 49 HD2 LYS 49 -9.177 0.034 0.573 289 HD3 LYS 49 HD1 LYS 49 -8.879 1.774 0.547 290 HE2 LYS 49 HE2 LYS 49 -11.263 2.151 0.075 291 HE3 LYS 49 HE1 LYS 49 -11.538 0.410 0.166 292 HZ1 LYS 49 HZ1 LYS 49 -10.869 0.438 2.465 293 HZ2 LYS 49 HZ2 LYS 49 -12.107 1.561 2.231 294 HZ3 LYS 49 HZ3 LYS 49 -10.512 2.088 2.388 295 H VAL 50 HN VAL 50 -7.390 -2.242 -2.941 296 HA VAL 50 HA VAL 50 -4.572 -2.287 -2.612 297 HB VAL 50 HB VAL 50 -6.423 -4.579 -3.308 298 HG11 VAL 50 HG11 VAL 50 -4.105 -5.131 -3.781 299 HG12 VAL 50 HG12 VAL 50 -4.670 -6.009 -2.360 300 HG13 VAL 50 HG13 VAL 50 -3.630 -4.598 -2.170 301 HG21 VAL 50 HG21 VAL 50 -7.061 -3.455 -1.235 302 HG22 VAL 50 HG22 VAL 50 -5.416 -3.633 -0.627 303 HG23 VAL 50 HG23 VAL 50 -6.408 -5.062 -0.915 304 H HIS 51 HN HIS 51 -6.663 -3.053 -5.365 305 HA HIS 51 HA HIS 51 -4.630 -4.031 -7.057 306 HB2 HIS 51 HB2 HIS 51 -7.379 -2.923 -7.563 307 HB3 HIS 51 HB1 HIS 51 -6.324 -3.372 -8.897 308 HD1 HIS 51 HD1 HIS 51 -7.963 -5.252 -9.589 309 HD2 HIS 51 HD2 HIS 51 -6.361 -5.705 -5.783 310 HE1 HIS 51 HE1 HIS 51 -8.481 -7.617 -8.916 311 HE2 HIS 51 HE2 HIS 51 -7.339 -7.924 -6.691 312 H PHE 52 HN PHE 52 -5.881 -0.787 -6.500 313 HA PHE 52 HA PHE 52 -4.512 0.405 -8.689 314 HB2 PHE 52 HB2 PHE 52 -6.523 1.376 -7.540 315 HB3 PHE 52 HB1 PHE 52 -5.483 1.779 -6.178 316 HD1 PHE 52 HD1 PHE 52 -4.272 3.769 -6.164 317 HD2 PHE 52 HD2 PHE 52 -5.930 2.345 -9.814 318 HE1 PHE 52 HE1 PHE 52 -3.658 5.878 -7.265 319 HE2 PHE 52 HE2 PHE 52 -5.315 4.453 -10.920 320 HZ PHE 52 HZ PHE 52 -4.178 6.224 -9.645 321 H LEU 53 HN LEU 53 -3.816 0.151 -5.218 322 HA LEU 53 HA LEU 53 -1.472 1.707 -5.221 323 HB2 LEU 53 HB2 LEU 53 -2.250 -0.585 -3.417 324 HB3 LEU 53 HB1 LEU 53 -0.933 0.530 -3.108 325 HG LEU 53 HG LEU 53 -3.861 1.246 -3.244 326 HD11 LEU 53 HD11 LEU 53 -1.934 1.054 -0.937 327 HD12 LEU 53 HD12 LEU 53 -3.335 0.025 -1.236 328 HD13 LEU 53 HD13 LEU 53 -3.560 1.729 -0.844 329 HD21 LEU 53 HD21 LEU 53 -2.533 3.080 -4.068 330 HD22 LEU 53 HD22 LEU 53 -1.428 2.941 -2.702 331 HD23 LEU 53 HD23 LEU 53 -3.094 3.458 -2.439 332 H LYS 54 HN LYS 54 -1.979 -1.756 -5.714 333 HA LYS 54 HA LYS 54 0.702 -2.544 -5.859 334 HB2 LYS 54 HB2 LYS 54 -1.166 -4.129 -5.747 335 HB3 LYS 54 HB1 LYS 54 -1.705 -3.629 -7.340 336 HG2 LYS 54 HG2 LYS 54 1.031 -4.752 -6.957 337 HG3 LYS 54 HG1 LYS 54 -0.363 -5.821 -7.067 338 HD2 LYS 54 HD2 LYS 54 0.424 -3.772 -9.140 339 HD3 LYS 54 HD1 LYS 54 0.800 -5.491 -9.233 340 HE2 LYS 54 HE2 LYS 54 -1.574 -6.024 -9.279 341 HE3 LYS 54 HE1 LYS 54 -1.977 -4.316 -9.117 342 HZ1 LYS 54 HZ1 LYS 54 -2.094 -5.182 -11.419 343 HZ2 LYS 54 HZ2 LYS 54 -0.423 -5.431 -11.381 344 HZ3 LYS 54 HZ3 LYS 54 -1.046 -3.868 -11.243 345 H SER 55 HN SER 55 -1.498 -1.332 -8.315 346 HA SER 55 HA SER 55 0.272 -1.555 -10.496 347 HB2 SER 55 HB2 SER 55 -2.144 0.229 -10.148 348 HB3 SER 55 HB1 SER 55 -1.381 -0.201 -11.675 349 HG SER 55 HG SER 55 -3.018 -1.718 -10.006 350 H LYS 56 HN LYS 56 0.144 0.639 -7.899 351 HA LYS 56 HA LYS 56 1.458 2.785 -9.333 352 HB2 LYS 56 HB2 LYS 56 0.507 2.418 -6.511 353 HB3 LYS 56 HB1 LYS 56 1.597 3.726 -6.920 354 HG2 LYS 56 HG2 LYS 56 -0.121 4.326 -8.732 355 HG3 LYS 56 HG1 LYS 56 -1.212 3.269 -7.837 356 HD2 LYS 56 HD2 LYS 56 -1.558 5.537 -7.109 357 HD3 LYS 56 HD1 LYS 56 -0.784 4.637 -5.804 358 HE2 LYS 56 HE2 LYS 56 1.327 5.638 -6.254 359 HE3 LYS 56 HE1 LYS 56 0.752 6.323 -7.773 360 HZ1 LYS 56 HZ1 LYS 56 -0.255 7.096 -5.087 361 HZ2 LYS 56 HZ2 LYS 56 -0.681 7.802 -6.561 362 HZ3 LYS 56 HZ3 LYS 56 0.895 7.966 -5.971 363 H GLY 57 HN GLY 57 2.464 -0.113 -8.278 364 HA2 GLY 57 HA2 GLY 57 4.755 -0.695 -8.637 365 HA3 GLY 57 HA1 GLY 57 5.214 0.908 -8.087 366 H LEU 58 HN LEU 58 2.870 -0.198 -6.032 367 HA LEU 58 HA LEU 58 4.806 -0.621 -3.956 368 HB2 LEU 58 HB2 LEU 58 1.829 -0.489 -4.051 369 HB3 LEU 58 HB1 LEU 58 2.605 -1.209 -2.655 370 HG LEU 58 HG LEU 58 3.958 0.982 -2.550 371 HD11 LEU 58 HD11 LEU 58 3.293 1.866 -4.719 372 HD12 LEU 58 HD12 LEU 58 2.788 2.941 -3.415 373 HD13 LEU 58 HD13 LEU 58 1.607 1.892 -4.199 374 HD21 LEU 58 HD21 LEU 58 2.330 0.273 -0.897 375 HD22 LEU 58 HD22 LEU 58 1.024 0.925 -1.888 376 HD23 LEU 58 HD23 LEU 58 2.224 2.010 -1.184 377 H SER 59 HN SER 59 4.991 -2.423 -2.631 378 HA SER 59 HA SER 59 4.359 -4.972 -3.926 379 HB2 SER 59 HB2 SER 59 6.007 -4.422 -1.447 380 HB3 SER 59 HB1 SER 59 5.945 -5.932 -2.360 381 HG SER 59 HG SER 59 6.565 -4.072 -4.095 382 H ALA 60 HN ALA 60 3.484 -6.726 -2.505 383 HA ALA 60 HA ALA 60 1.040 -5.965 -1.395 384 HB1 ALA 60 HB1 ALA 60 1.486 -8.208 -2.264 385 HB2 ALA 60 HB2 ALA 60 0.842 -8.266 -0.623 386 HB3 ALA 60 HB3 ALA 60 2.564 -8.520 -0.904 387 H GLU 61 HN GLU 61 4.139 -6.624 0.152 388 HA GLU 61 HA GLU 61 3.240 -6.495 2.826 389 HB2 GLU 61 HB2 GLU 61 5.961 -5.897 1.657 390 HB3 GLU 61 HB1 GLU 61 5.628 -6.068 3.374 391 HG2 GLU 61 HG2 GLU 61 4.953 -8.375 3.032 392 HG3 GLU 61 HG1 GLU 61 5.238 -8.213 1.301 393 H GLU 62 HN GLU 62 4.311 -4.035 0.561 394 HA GLU 62 HA GLU 62 4.439 -1.926 2.470 395 HB2 GLU 62 HB2 GLU 62 4.160 -1.765 -0.534 396 HB3 GLU 62 HB1 GLU 62 4.650 -0.454 0.532 397 HG2 GLU 62 HG2 GLU 62 6.644 -1.690 1.164 398 HG3 GLU 62 HG1 GLU 62 6.152 -3.031 0.135 399 H ILE 63 HN ILE 63 2.019 -3.066 0.179 400 HA ILE 63 HA ILE 63 0.066 -1.090 0.631 401 HB ILE 63 HB ILE 63 -0.325 -3.997 -0.114 402 HG12 ILE 63 HG12 ILE 63 -0.155 -1.563 -1.902 403 HG13 ILE 63 HG11 ILE 63 1.169 -2.692 -1.636 404 HG21 ILE 63 HG21 ILE 63 -2.458 -3.238 -1.082 405 HG22 ILE 63 HG22 ILE 63 -2.174 -1.634 -0.406 406 HG23 ILE 63 HG23 ILE 63 -2.394 -3.018 0.666 407 HD11 ILE 63 HD11 ILE 63 -1.496 -3.353 -2.867 408 HD12 ILE 63 HD12 ILE 63 -0.171 -4.487 -2.598 409 HD13 ILE 63 HD13 ILE 63 0.031 -3.146 -3.726 410 H CYS 64 HN CYS 64 0.662 -4.221 2.170 411 HA CYS 64 HA CYS 64 -1.465 -4.291 3.962 412 HB2 CYS 64 HB2 CYS 64 -0.030 -6.212 3.602 413 HB3 CYS 64 HB1 CYS 64 1.360 -5.342 4.236 414 HG CYS 64 HG CYS 64 -1.362 -6.036 6.186 415 H GLU 65 HN GLU 65 1.717 -2.774 4.278 416 HA GLU 65 HA GLU 65 1.379 -1.929 6.950 417 HB2 GLU 65 HB2 GLU 65 3.583 -2.131 6.040 418 HB3 GLU 65 HB1 GLU 65 3.206 -1.019 4.731 419 HG2 GLU 65 HG2 GLU 65 3.100 0.816 6.216 420 HG3 GLU 65 HG1 GLU 65 3.207 -0.234 7.626 421 H ALA 66 HN ALA 66 1.005 -0.250 3.831 422 HA ALA 66 HA ALA 66 0.348 2.270 4.797 423 HB1 ALA 66 HB1 ALA 66 -0.668 0.955 2.285 424 HB2 ALA 66 HB2 ALA 66 0.872 1.797 2.454 425 HB3 ALA 66 HB3 ALA 66 -0.644 2.687 2.618 426 H PHE 67 HN PHE 67 -1.769 -0.487 4.089 427 HA PHE 67 HA PHE 67 -4.206 0.736 4.666 428 HB2 PHE 67 HB2 PHE 67 -3.209 -2.038 4.530 429 HB3 PHE 67 HB1 PHE 67 -4.656 -1.799 5.503 430 HD1 PHE 67 HD1 PHE 67 -6.692 -0.917 4.489 431 HD2 PHE 67 HD2 PHE 67 -3.271 -1.851 2.152 432 HE1 PHE 67 HE1 PHE 67 -8.084 -0.897 2.466 433 HE2 PHE 67 HE2 PHE 67 -4.653 -1.830 0.116 434 HZ PHE 67 HZ PHE 67 -7.065 -1.354 0.274 435 H THR 68 HN THR 68 -1.948 -0.958 6.809 436 HA THR 68 HA THR 68 -3.559 -0.724 9.119 437 HB THR 68 HB THR 68 -0.546 -0.936 9.047 438 HG1 THR 68 HG1 THR 68 -1.338 -2.625 7.808 439 HG21 THR 68 HG21 THR 68 -2.583 -1.840 11.083 440 HG22 THR 68 HG22 THR 68 -1.502 -0.453 11.249 441 HG23 THR 68 HG23 THR 68 -0.839 -2.088 11.187 442 H LYS 69 HN LYS 69 -1.196 1.352 7.592 443 HA LYS 69 HA LYS 69 -0.824 3.222 9.648 444 HB2 LYS 69 HB2 LYS 69 -0.678 3.504 6.651 445 HB3 LYS 69 HB1 LYS 69 -0.178 4.763 7.770 446 HG2 LYS 69 HG2 LYS 69 1.012 2.127 8.250 447 HG3 LYS 69 HG1 LYS 69 1.465 2.893 6.732 448 HD2 LYS 69 HD2 LYS 69 1.625 4.270 9.402 449 HD3 LYS 69 HD1 LYS 69 2.972 3.390 8.674 450 HE2 LYS 69 HE2 LYS 69 2.887 4.863 6.734 451 HE3 LYS 69 HE1 LYS 69 1.532 5.733 7.447 452 HZ1 LYS 69 HZ1 LYS 69 3.681 6.854 7.767 453 HZ2 LYS 69 HZ2 LYS 69 4.227 5.533 8.671 454 HZ3 LYS 69 HZ3 LYS 69 2.931 6.461 9.232 455 H VAL 70 HN VAL 70 -3.343 2.928 7.186 456 HA VAL 70 HA VAL 70 -4.441 5.530 7.883 457 HB VAL 70 HB VAL 70 -6.073 5.182 6.124 458 HG11 VAL 70 HG11 VAL 70 -4.617 5.265 4.271 459 HG12 VAL 70 HG12 VAL 70 -3.409 4.266 5.071 460 HG13 VAL 70 HG13 VAL 70 -3.707 5.911 5.632 461 HG21 VAL 70 HG21 VAL 70 -4.865 2.436 5.767 462 HG22 VAL 70 HG22 VAL 70 -6.106 3.169 4.750 463 HG23 VAL 70 HG23 VAL 70 -6.464 2.777 6.431 464 H GLY 71 HN GLY 71 -4.551 2.698 9.387 465 HA2 GLY 71 HA2 GLY 71 -5.875 2.333 11.305 466 HA3 GLY 71 HA1 GLY 71 -7.108 3.385 10.626 467 H GLN 72 HN GLN 72 -5.810 1.038 8.505 468 HA GLN 72 HA GLN 72 -8.119 -0.725 9.003 469 HB2 GLN 72 HB2 GLN 72 -8.389 0.527 6.909 470 HB3 GLN 72 HB1 GLN 72 -6.811 -0.018 6.365 471 HG2 GLN 72 HG2 GLN 72 -8.433 -1.320 5.245 472 HG3 GLN 72 HG1 GLN 72 -7.684 -2.356 6.457 473 HE21 GLN 72 HE21 GLN 72 -10.522 -0.625 5.524 474 HE22 GLN 72 HE22 GLN 72 -11.613 -1.426 6.602 475 HA PRO 73 HA PRO 73 -4.309 -3.151 9.620 476 HB2 PRO 73 HB2 PRO 73 -5.318 -4.820 11.489 477 HB3 PRO 73 HB1 PRO 73 -4.704 -3.209 11.869 478 HG2 PRO 73 HG2 PRO 73 -7.518 -4.142 11.572 479 HG3 PRO 73 HG1 PRO 73 -6.842 -2.968 12.712 480 HD2 PRO 73 HD2 PRO 73 -8.216 -2.293 10.425 481 HD3 PRO 73 HD1 PRO 73 -7.030 -1.242 11.222 482 H LYS 74 HN LYS 74 -4.305 -4.143 7.665 483 HA LYS 74 HA LYS 74 -5.940 -6.571 7.387 484 HB2 LYS 74 HB2 LYS 74 -4.513 -4.908 5.300 485 HB3 LYS 74 HB1 LYS 74 -5.270 -6.457 4.964 486 HG2 LYS 74 HG2 LYS 74 -6.695 -4.008 5.977 487 HG3 LYS 74 HG1 LYS 74 -6.670 -4.562 4.303 488 HD2 LYS 74 HD2 LYS 74 -7.682 -6.710 5.079 489 HD3 LYS 74 HD1 LYS 74 -7.847 -5.991 6.682 490 HE2 LYS 74 HE2 LYS 74 -9.231 -4.204 5.710 491 HE3 LYS 74 HE1 LYS 74 -9.098 -4.978 4.134 492 HZ1 LYS 74 HZ1 LYS 74 -10.348 -6.165 6.549 493 HZ2 LYS 74 HZ2 LYS 74 -10.194 -6.932 5.052 494 HZ3 LYS 74 HZ3 LYS 74 -11.171 -5.560 5.200 495 H THR 75 HN THR 75 -4.937 -8.527 7.037 496 HA THR 75 HA THR 75 -2.137 -8.679 7.706 497 HB THR 75 HB THR 75 -2.485 -11.162 7.351 498 HG1 THR 75 HG1 THR 75 -5.252 -10.532 7.303 499 HG21 THR 75 HG21 THR 75 -2.618 -10.174 9.570 500 HG22 THR 75 HG22 THR 75 -3.824 -11.449 9.396 501 HG23 THR 75 HG23 THR 75 -4.309 -9.756 9.302 502 H LEU 76 HN LEU 76 -0.579 -9.806 6.345 503 HA LEU 76 HA LEU 76 -0.456 -8.753 3.749 504 HB2 LEU 76 HB2 LEU 76 1.520 -9.383 5.038 505 HB3 LEU 76 HB1 LEU 76 1.048 -11.068 4.971 506 HG LEU 76 HG LEU 76 1.394 -11.089 2.550 507 HD11 LEU 76 HD11 LEU 76 2.242 -8.225 2.936 508 HD12 LEU 76 HD12 LEU 76 0.836 -8.792 2.037 509 HD13 LEU 76 HD13 LEU 76 2.460 -9.161 1.458 510 HD21 LEU 76 HD21 LEU 76 3.730 -9.973 4.095 511 HD22 LEU 76 HD22 LEU 76 3.829 -10.842 2.565 512 HD23 LEU 76 HD23 LEU 76 3.253 -11.668 4.011 513 H ASN 77 HN ASN 77 -1.639 -11.777 4.995 514 HA ASN 77 HA ASN 77 -1.787 -13.276 2.642 515 HB2 ASN 77 HB2 ASN 77 -2.150 -14.115 4.987 516 HB3 ASN 77 HB1 ASN 77 -3.745 -13.375 4.943 517 HD21 ASN 77 HD21 ASN 77 -1.752 -15.948 3.779 518 HD22 ASN 77 HD22 ASN 77 -3.020 -16.885 3.073 519 H GLU 78 HN GLU 78 -4.098 -11.015 4.096 520 HA GLU 78 HA GLU 78 -6.202 -11.349 2.275 521 HB2 GLU 78 HB2 GLU 78 -5.360 -8.817 3.702 522 HB3 GLU 78 HB1 GLU 78 -6.910 -9.073 2.919 523 HG2 GLU 78 HG2 GLU 78 -5.859 -10.578 5.288 524 HG3 GLU 78 HG1 GLU 78 -7.072 -9.305 5.325 525 H ILE 79 HN ILE 79 -3.447 -9.129 2.236 526 HA ILE 79 HA ILE 79 -4.213 -7.662 -0.023 527 HB ILE 79 HB ILE 79 -1.394 -8.180 0.930 528 HG12 ILE 79 HG12 ILE 79 -2.752 -7.322 2.760 529 HG13 ILE 79 HG11 ILE 79 -1.661 -6.065 2.192 530 HG21 ILE 79 HG21 ILE 79 -2.532 -5.910 -0.694 531 HG22 ILE 79 HG22 ILE 79 -1.520 -7.214 -1.313 532 HG23 ILE 79 HG23 ILE 79 -0.862 -6.063 -0.149 533 HD11 ILE 79 HD11 ILE 79 -4.596 -6.295 1.562 534 HD12 ILE 79 HD12 ILE 79 -3.512 -5.052 0.937 535 HD13 ILE 79 HD13 ILE 79 -3.842 -5.146 2.667 536 H LYS 80 HN LYS 80 -2.007 -10.447 0.252 537 HA LYS 80 HA LYS 80 -1.420 -10.627 -2.500 538 HB2 LYS 80 HB2 LYS 80 -1.423 -12.800 -0.401 539 HB3 LYS 80 HB1 LYS 80 -0.703 -12.942 -1.999 540 HG2 LYS 80 HG2 LYS 80 0.720 -10.947 -1.378 541 HG3 LYS 80 HG1 LYS 80 0.149 -11.186 0.276 542 HD2 LYS 80 HD2 LYS 80 1.080 -13.396 0.342 543 HD3 LYS 80 HD1 LYS 80 1.504 -13.318 -1.369 544 HE2 LYS 80 HE2 LYS 80 3.028 -11.436 -0.861 545 HE3 LYS 80 HE1 LYS 80 2.656 -11.637 0.851 546 HZ1 LYS 80 HZ1 LYS 80 3.553 -13.877 0.742 547 HZ2 LYS 80 HZ2 LYS 80 4.712 -12.746 0.264 548 HZ3 LYS 80 HZ3 LYS 80 3.912 -13.679 -0.898 549 H ARG 81 HN ARG 81 -3.950 -12.008 -0.515 550 HA ARG 81 HA ARG 81 -5.110 -13.763 -2.371 551 HB2 ARG 81 HB2 ARG 81 -5.593 -13.736 0.036 552 HB3 ARG 81 HB1 ARG 81 -6.415 -12.195 -0.155 553 HG2 ARG 81 HG2 ARG 81 -8.068 -13.231 -1.586 554 HG3 ARG 81 HG1 ARG 81 -7.232 -14.778 -1.445 555 HD2 ARG 81 HD2 ARG 81 -8.501 -13.203 0.770 556 HD3 ARG 81 HD1 ARG 81 -9.099 -14.708 0.080 557 HE ARG 81 HE ARG 81 -6.454 -14.694 1.339 558 HH11 ARG 81 HH11 ARG 81 -9.809 -15.680 1.426 559 HH12 ARG 81 HH12 ARG 81 -9.574 -16.814 2.715 560 HH21 ARG 81 HH21 ARG 81 -6.146 -16.161 3.059 561 HH22 ARG 81 HH22 ARG 81 -7.497 -17.090 3.642 562 H ILE 82 HN ILE 82 -5.858 -10.418 -1.557 563 HA ILE 82 HA ILE 82 -7.985 -10.071 -3.363 564 HB ILE 82 HB ILE 82 -6.109 -8.024 -2.168 565 HG12 ILE 82 HG12 ILE 82 -8.904 -8.727 -1.273 566 HG13 ILE 82 HG11 ILE 82 -7.482 -9.536 -0.624 567 HG21 ILE 82 HG21 ILE 82 -7.855 -6.383 -2.628 568 HG22 ILE 82 HG22 ILE 82 -8.822 -7.624 -3.423 569 HG23 ILE 82 HG23 ILE 82 -7.279 -7.128 -4.119 570 HD11 ILE 82 HD11 ILE 82 -8.206 -7.790 0.868 571 HD12 ILE 82 HD12 ILE 82 -8.115 -6.599 -0.431 572 HD13 ILE 82 HD13 ILE 82 -6.644 -7.366 0.170 573 H LEU 83 HN LEU 83 -4.509 -9.729 -3.711 574 HA LEU 83 HA LEU 83 -4.672 -8.422 -6.265 575 HB2 LEU 83 HB2 LEU 83 -2.388 -9.628 -4.722 576 HB3 LEU 83 HB1 LEU 83 -2.185 -8.921 -6.314 577 HG LEU 83 HG LEU 83 -3.203 -7.443 -3.886 578 HD11 LEU 83 HD11 LEU 83 -0.510 -7.349 -5.239 579 HD12 LEU 83 HD12 LEU 83 -0.850 -8.060 -3.662 580 HD13 LEU 83 HD13 LEU 83 -1.037 -6.323 -3.904 581 HD21 LEU 83 HD21 LEU 83 -2.504 -6.524 -6.671 582 HD22 LEU 83 HD22 LEU 83 -2.829 -5.452 -5.311 583 HD23 LEU 83 HD23 LEU 83 -4.099 -6.513 -5.919 584 H SER 84 HN SER 84 -4.844 -11.667 -5.221 585 HA SER 84 HA SER 84 -3.993 -12.661 -7.829 586 HB2 SER 84 HB2 SER 84 -4.384 -14.935 -6.759 587 HB3 SER 84 HB1 SER 84 -3.095 -13.961 -6.055 588 HG SER 84 HG SER 84 -5.612 -13.610 -4.947 Start of MODEL 2 1 H1 LYS 15 HT1 LYS 15 33.165 -7.152 -0.016 2 H2 LYS 15 HT2 LYS 15 32.216 -6.137 -0.981 3 H3 LYS 15 HT3 LYS 15 32.418 -7.757 -1.407 4 HA LYS 15 HA LYS 15 31.237 -8.474 0.542 5 HB2 LYS 15 HB2 LYS 15 30.140 -6.853 1.993 6 HB3 LYS 15 HB1 LYS 15 31.872 -6.563 1.977 7 HG2 LYS 15 HG2 LYS 15 31.544 -4.709 0.412 8 HG3 LYS 15 HG1 LYS 15 29.803 -4.995 0.450 9 HD2 LYS 15 HD2 LYS 15 29.844 -4.596 2.900 10 HD3 LYS 15 HD1 LYS 15 31.554 -4.186 2.770 11 HE2 LYS 15 HE2 LYS 15 30.164 -2.180 2.815 12 HE3 LYS 15 HE1 LYS 15 31.009 -2.340 1.276 13 HZ1 LYS 15 HZ1 LYS 15 28.625 -1.686 1.111 14 HZ2 LYS 15 HZ2 LYS 15 28.207 -3.218 1.691 15 HZ3 LYS 15 HZ3 LYS 15 29.034 -3.063 0.222 16 HA PRO 16 HA PRO 16 27.770 -8.472 -2.172 17 HB2 PRO 16 HB2 PRO 16 25.688 -8.879 -0.443 18 HB3 PRO 16 HB1 PRO 16 26.789 -10.155 -0.974 19 HG2 PRO 16 HG2 PRO 16 26.814 -8.565 1.560 20 HG3 PRO 16 HG1 PRO 16 27.090 -10.303 1.325 21 HD2 PRO 16 HD2 PRO 16 29.122 -8.582 1.685 22 HD3 PRO 16 HD1 PRO 16 29.267 -9.984 0.607 23 H GLU 17 HN GLU 17 26.572 -6.926 -3.104 24 HA GLU 17 HA GLU 17 26.001 -4.537 -1.504 25 HB2 GLU 17 HB2 GLU 17 26.314 -4.837 -4.494 26 HB3 GLU 17 HB1 GLU 17 25.937 -3.332 -3.664 27 HG2 GLU 17 HG2 GLU 17 28.066 -3.489 -2.451 28 HG3 GLU 17 HG1 GLU 17 28.447 -4.962 -3.340 29 H VAL 18 HN VAL 18 24.059 -4.998 -0.659 30 HA VAL 18 HA VAL 18 21.827 -5.337 -2.547 31 HB VAL 18 HB VAL 18 21.898 -6.163 0.364 32 HG11 VAL 18 HG11 VAL 18 19.729 -7.208 -0.114 33 HG12 VAL 18 HG12 VAL 18 19.778 -6.541 -1.746 34 HG13 VAL 18 HG13 VAL 18 19.686 -5.462 -0.355 35 HG21 VAL 18 HG21 VAL 18 21.909 -7.884 -2.110 36 HG22 VAL 18 HG22 VAL 18 21.854 -8.458 -0.446 37 HG23 VAL 18 HG23 VAL 18 23.284 -7.617 -1.042 38 H GLU 19 HN GLU 19 21.249 -3.261 -2.868 39 HA GLU 19 HA GLU 19 21.092 -1.487 -0.549 40 HB2 GLU 19 HB2 GLU 19 21.011 -0.864 -3.503 41 HB3 GLU 19 HB1 GLU 19 20.986 0.327 -2.208 42 HG2 GLU 19 HG2 GLU 19 23.221 -1.615 -2.742 43 HG3 GLU 19 HG1 GLU 19 23.204 0.080 -3.230 44 H HIS 20 HN HIS 20 19.161 -2.091 0.372 45 HA HIS 20 HA HIS 20 16.750 -1.909 -1.270 46 HB2 HIS 20 HB2 HIS 20 17.055 -3.793 0.381 47 HB3 HIS 20 HB1 HIS 20 16.948 -2.599 1.669 48 HD1 HIS 20 HD1 HIS 20 14.637 -1.854 2.372 49 HD2 HIS 20 HD2 HIS 20 14.612 -4.157 -1.090 50 HE1 HIS 20 HE1 HIS 20 12.216 -2.370 1.916 51 HE2 HIS 20 HE2 HIS 20 12.247 -3.906 -0.078 52 H THR 21 HN THR 21 16.486 0.227 -1.668 53 HA THR 21 HA THR 21 17.037 2.287 0.177 54 HB THR 21 HB THR 21 15.203 2.488 -2.210 55 HG1 THR 21 HG1 THR 21 18.033 2.323 -2.041 56 HG21 THR 21 HG21 THR 21 17.078 4.482 -0.932 57 HG22 THR 21 HG22 THR 21 15.324 4.468 -0.752 58 HG23 THR 21 HG23 THR 21 16.049 4.776 -2.332 59 H HIS 22 HN HIS 22 15.938 2.524 2.031 60 HA HIS 22 HA HIS 22 13.285 1.625 2.414 61 HB2 HIS 22 HB2 HIS 22 13.373 2.895 4.565 62 HB3 HIS 22 HB1 HIS 22 14.689 1.763 4.340 63 HD1 HIS 22 HD1 HIS 22 16.935 2.670 4.872 64 HD2 HIS 22 HD2 HIS 22 14.245 5.686 3.903 65 HE1 HIS 22 HE1 HIS 22 18.171 4.827 5.246 66 HE2 HIS 22 HE2 HIS 22 16.583 6.623 4.473 67 H SER 23 HN SER 23 14.640 4.638 1.357 68 HA SER 23 HA SER 23 12.408 6.294 1.764 69 HB2 SER 23 HB2 SER 23 14.445 6.482 -0.465 70 HB3 SER 23 HB1 SER 23 13.474 7.797 0.199 71 HG SER 23 HG SER 23 14.699 7.849 1.962 72 H GLU 24 HN GLU 24 13.207 3.975 -0.724 73 HA GLU 24 HA GLU 24 11.239 4.764 -2.607 74 HB2 GLU 24 HB2 GLU 24 12.749 2.186 -2.196 75 HB3 GLU 24 HB1 GLU 24 11.610 2.425 -3.514 76 HG2 GLU 24 HG2 GLU 24 14.113 4.017 -3.015 77 HG3 GLU 24 HG1 GLU 24 13.880 2.794 -4.264 78 H ARG 25 HN ARG 25 11.299 2.272 -0.069 79 HA ARG 25 HA ARG 25 8.641 1.413 -0.504 80 HB2 ARG 25 HB2 ARG 25 9.881 -0.126 0.704 81 HB3 ARG 25 HB1 ARG 25 10.658 1.111 1.683 82 HG2 ARG 25 HG2 ARG 25 8.678 1.414 2.976 83 HG3 ARG 25 HG1 ARG 25 7.767 0.335 1.924 84 HD2 ARG 25 HD2 ARG 25 10.180 -0.519 3.510 85 HD3 ARG 25 HD1 ARG 25 8.525 -0.673 4.097 86 HE ARG 25 HE ARG 25 8.340 -1.966 1.777 87 HH11 ARG 25 HH11 ARG 25 10.793 -2.154 4.274 88 HH12 ARG 25 HH12 ARG 25 11.170 -3.815 3.948 89 HH21 ARG 25 HH21 ARG 25 8.819 -4.128 1.352 90 HH22 ARG 25 HH22 ARG 25 10.036 -4.951 2.280 91 H GLU 26 HN GLU 26 10.121 3.706 1.758 92 HA GLU 26 HA GLU 26 7.881 4.337 3.260 93 HB2 GLU 26 HB2 GLU 26 10.127 4.987 3.890 94 HB3 GLU 26 HB1 GLU 26 10.242 6.054 2.498 95 HG2 GLU 26 HG2 GLU 26 8.427 7.416 3.430 96 HG3 GLU 26 HG1 GLU 26 8.401 6.376 4.852 97 H LYS 27 HN LYS 27 9.022 5.870 0.249 98 HA LYS 27 HA LYS 27 7.060 7.915 0.290 99 HB2 LYS 27 HB2 LYS 27 7.770 8.484 -1.914 100 HB3 LYS 27 HB1 LYS 27 9.202 7.996 -1.022 101 HG2 LYS 27 HG2 LYS 27 9.093 5.788 -2.098 102 HG3 LYS 27 HG1 LYS 27 7.695 6.332 -3.028 103 HD2 LYS 27 HD2 LYS 27 9.110 8.160 -3.957 104 HD3 LYS 27 HD1 LYS 27 10.495 7.443 -3.132 105 HE2 LYS 27 HE2 LYS 27 10.067 5.332 -4.378 106 HE3 LYS 27 HE1 LYS 27 8.803 6.170 -5.277 107 HZ1 LYS 27 HZ1 LYS 27 10.841 6.146 -6.527 108 HZ2 LYS 27 HZ2 LYS 27 11.691 6.859 -5.254 109 HZ3 LYS 27 HZ3 LYS 27 10.492 7.736 -6.069 110 H ARG 28 HN ARG 28 7.165 4.704 -1.165 111 HA ARG 28 HA ARG 28 4.753 5.007 -2.636 112 HB2 ARG 28 HB2 ARG 28 6.345 2.594 -1.794 113 HB3 ARG 28 HB1 ARG 28 4.851 2.463 -2.709 114 HG2 ARG 28 HG2 ARG 28 5.823 3.808 -4.501 115 HG3 ARG 28 HG1 ARG 28 7.327 3.933 -3.586 116 HD2 ARG 28 HD2 ARG 28 6.087 1.337 -4.486 117 HD3 ARG 28 HD1 ARG 28 7.355 2.189 -5.365 118 HE ARG 28 HE ARG 28 8.417 1.907 -2.900 119 HH11 ARG 28 HH11 ARG 28 6.960 -0.344 -5.148 120 HH12 ARG 28 HH12 ARG 28 7.918 -1.691 -4.616 121 HH21 ARG 28 HH21 ARG 28 9.685 0.131 -2.201 122 HH22 ARG 28 HH22 ARG 28 9.453 -1.422 -2.929 123 H VAL 29 HN VAL 29 5.538 3.641 0.536 124 HA VAL 29 HA VAL 29 2.932 2.820 1.214 125 HB VAL 29 HB VAL 29 5.176 3.772 3.014 126 HG11 VAL 29 HG11 VAL 29 3.985 2.652 4.835 127 HG12 VAL 29 HG12 VAL 29 2.649 2.291 3.744 128 HG13 VAL 29 HG13 VAL 29 3.022 3.964 4.156 129 HG21 VAL 29 HG21 VAL 29 4.262 0.996 2.262 130 HG22 VAL 29 HG22 VAL 29 5.542 1.381 3.413 131 HG23 VAL 29 HG23 VAL 29 5.736 1.791 1.709 132 H SER 30 HN SER 30 4.624 5.910 1.611 133 HA SER 30 HA SER 30 2.590 7.262 2.997 134 HB2 SER 30 HB2 SER 30 4.929 8.084 2.767 135 HB3 SER 30 HB1 SER 30 4.609 8.445 1.073 136 HG SER 30 HG SER 30 3.212 10.037 1.655 137 H ASN 31 HN ASN 31 3.232 6.921 -0.475 138 HA ASN 31 HA ASN 31 1.158 8.551 -1.428 139 HB2 ASN 31 HB2 ASN 31 2.505 6.126 -2.627 140 HB3 ASN 31 HB1 ASN 31 1.307 7.073 -3.492 141 HD21 ASN 31 HD21 ASN 31 4.101 6.587 -4.103 142 HD22 ASN 31 HD22 ASN 31 4.855 8.141 -4.196 143 H ALA 32 HN ALA 32 1.235 5.212 -0.409 144 HA ALA 32 HA ALA 32 -1.415 4.584 -1.263 145 HB1 ALA 32 HB1 ALA 32 0.245 2.844 -1.028 146 HB2 ALA 32 HB2 ALA 32 -1.116 2.537 0.051 147 HB3 ALA 32 HB3 ALA 32 0.393 3.186 0.695 148 H VAL 33 HN VAL 33 0.063 5.457 1.839 149 HA VAL 33 HA VAL 33 -2.238 5.167 3.423 150 HB VAL 33 HB VAL 33 0.149 6.994 3.792 151 HG11 VAL 33 HG11 VAL 33 -1.772 7.858 5.045 152 HG12 VAL 33 HG12 VAL 33 -0.534 7.215 6.124 153 HG13 VAL 33 HG13 VAL 33 -1.992 6.278 5.797 154 HG21 VAL 33 HG21 VAL 33 -0.557 4.328 5.018 155 HG22 VAL 33 HG22 VAL 33 0.854 5.304 5.427 156 HG23 VAL 33 HG23 VAL 33 0.692 4.622 3.808 157 H GLU 34 HN GLU 34 -0.973 7.964 1.639 158 HA GLU 34 HA GLU 34 -2.987 9.756 2.512 159 HB2 GLU 34 HB2 GLU 34 -2.142 11.269 0.855 160 HB3 GLU 34 HB1 GLU 34 -0.775 10.417 1.554 161 HG2 GLU 34 HG2 GLU 34 -0.623 8.988 -0.372 162 HG3 GLU 34 HG1 GLU 34 -2.061 9.732 -1.071 163 H PHE 35 HN PHE 35 -2.747 7.516 -0.177 164 HA PHE 35 HA PHE 35 -5.071 8.445 -1.552 165 HB2 PHE 35 HB2 PHE 35 -3.289 7.202 -2.694 166 HB3 PHE 35 HB1 PHE 35 -3.619 5.792 -1.699 167 HD1 PHE 35 HD1 PHE 35 -5.103 8.019 -4.263 168 HD2 PHE 35 HD2 PHE 35 -5.210 4.218 -2.353 169 HE1 PHE 35 HE1 PHE 35 -6.709 7.221 -5.948 170 HE2 PHE 35 HE2 PHE 35 -6.816 3.413 -4.032 171 HZ PHE 35 HZ PHE 35 -7.567 4.912 -5.833 172 H LEU 36 HN LEU 36 -4.413 5.816 0.726 173 HA LEU 36 HA LEU 36 -7.021 4.703 0.658 174 HB2 LEU 36 HB2 LEU 36 -4.832 4.552 2.707 175 HB3 LEU 36 HB1 LEU 36 -6.291 3.588 2.775 176 HG LEU 36 HG LEU 36 -4.215 3.482 0.586 177 HD11 LEU 36 HD11 LEU 36 -3.691 1.277 1.498 178 HD12 LEU 36 HD12 LEU 36 -4.838 1.548 2.810 179 HD13 LEU 36 HD13 LEU 36 -3.396 2.555 2.676 180 HD21 LEU 36 HD21 LEU 36 -6.403 2.973 -0.289 181 HD22 LEU 36 HD22 LEU 36 -6.715 1.862 1.045 182 HD23 LEU 36 HD23 LEU 36 -5.470 1.483 -0.146 183 H LEU 37 HN LEU 37 -5.537 7.245 2.526 184 HA LEU 37 HA LEU 37 -7.765 7.425 4.363 185 HB2 LEU 37 HB2 LEU 37 -5.114 8.737 4.093 186 HB3 LEU 37 HB1 LEU 37 -6.371 9.621 4.939 187 HG LEU 37 HG LEU 37 -5.426 6.852 5.677 188 HD11 LEU 37 HD11 LEU 37 -3.690 8.516 6.073 189 HD12 LEU 37 HD12 LEU 37 -4.377 7.947 7.595 190 HD13 LEU 37 HD13 LEU 37 -4.842 9.521 6.951 191 HD21 LEU 37 HD21 LEU 37 -6.722 7.300 7.738 192 HD22 LEU 37 HD22 LEU 37 -7.725 7.215 6.290 193 HD23 LEU 37 HD23 LEU 37 -7.328 8.781 6.992 194 H ASP 38 HN ASP 38 -7.596 8.207 1.274 195 HA ASP 38 HA ASP 38 -8.529 10.931 1.413 196 HB2 ASP 38 HB2 ASP 38 -7.214 9.888 -0.527 197 HB3 ASP 38 HB1 ASP 38 -8.720 9.104 -0.980 198 H SER 39 HN SER 39 -10.611 11.619 1.362 199 HA SER 39 HA SER 39 -12.635 9.973 2.320 200 HB2 SER 39 HB2 SER 39 -14.151 11.890 1.630 201 HB3 SER 39 HB1 SER 39 -12.792 12.323 2.668 202 HG SER 39 HG SER 39 -13.013 13.762 0.903 203 H ARG 40 HN ARG 40 -11.743 10.762 -0.975 204 HA ARG 40 HA ARG 40 -14.087 9.760 -2.235 205 HB2 ARG 40 HB2 ARG 40 -11.267 10.109 -3.267 206 HB3 ARG 40 HB1 ARG 40 -12.651 9.713 -4.276 207 HG2 ARG 40 HG2 ARG 40 -13.650 11.813 -3.910 208 HG3 ARG 40 HG1 ARG 40 -12.561 12.183 -2.572 209 HD2 ARG 40 HD2 ARG 40 -11.698 11.830 -5.438 210 HD3 ARG 40 HD1 ARG 40 -12.006 13.387 -4.671 211 HE ARG 40 HE ARG 40 -10.180 12.066 -3.055 212 HH11 ARG 40 HH11 ARG 40 -10.288 13.180 -6.377 213 HH12 ARG 40 HH12 ARG 40 -8.590 13.517 -6.453 214 HH21 ARG 40 HH21 ARG 40 -7.948 12.529 -3.142 215 HH22 ARG 40 HH22 ARG 40 -7.260 13.153 -4.617 216 H VAL 41 HN VAL 41 -10.975 8.351 -1.386 217 HA VAL 41 HA VAL 41 -11.503 5.867 -2.730 218 HB VAL 41 HB VAL 41 -9.299 6.604 -0.798 219 HG11 VAL 41 HG11 VAL 41 -9.607 4.179 -0.985 220 HG12 VAL 41 HG12 VAL 41 -8.096 4.698 -1.730 221 HG13 VAL 41 HG13 VAL 41 -9.486 4.301 -2.740 222 HG21 VAL 41 HG21 VAL 41 -7.947 6.948 -2.799 223 HG22 VAL 41 HG22 VAL 41 -9.345 8.022 -2.786 224 HG23 VAL 41 HG23 VAL 41 -9.344 6.588 -3.813 225 H ARG 42 HN ARG 42 -11.926 7.134 0.481 226 HA ARG 42 HA ARG 42 -12.313 4.735 1.889 227 HB2 ARG 42 HB2 ARG 42 -13.776 7.356 2.260 228 HB3 ARG 42 HB1 ARG 42 -13.725 6.042 3.423 229 HG2 ARG 42 HG2 ARG 42 -11.324 6.344 3.678 230 HG3 ARG 42 HG1 ARG 42 -11.361 7.651 2.490 231 HD2 ARG 42 HD2 ARG 42 -13.090 8.745 4.013 232 HD3 ARG 42 HD1 ARG 42 -12.590 7.575 5.228 233 HE ARG 42 HE ARG 42 -10.249 8.655 4.512 234 HH11 ARG 42 HH11 ARG 42 -13.313 10.102 5.360 235 HH12 ARG 42 HH12 ARG 42 -12.602 11.545 6.008 236 HH21 ARG 42 HH21 ARG 42 -9.303 10.563 5.352 237 HH22 ARG 42 HH22 ARG 42 -10.323 11.801 6.017 238 H ARG 43 HN ARG 43 -14.164 6.220 -0.572 239 HA ARG 43 HA ARG 43 -16.665 4.950 0.141 240 HB2 ARG 43 HB2 ARG 43 -16.589 7.218 -0.826 241 HB3 ARG 43 HB1 ARG 43 -15.882 6.562 -2.294 242 HG2 ARG 43 HG2 ARG 43 -17.907 5.301 -2.730 243 HG3 ARG 43 HG1 ARG 43 -18.614 5.898 -1.227 244 HD2 ARG 43 HD2 ARG 43 -18.462 8.189 -2.068 245 HD3 ARG 43 HD1 ARG 43 -17.759 7.590 -3.570 246 HE ARG 43 HE ARG 43 -20.019 6.259 -3.599 247 HH11 ARG 43 HH11 ARG 43 -19.479 9.597 -2.693 248 HH12 ARG 43 HH12 ARG 43 -21.067 10.113 -3.164 249 HH21 ARG 43 HH21 ARG 43 -22.099 6.944 -4.249 250 HH22 ARG 43 HH22 ARG 43 -22.554 8.605 -4.048 251 H THR 44 HN THR 44 -13.895 4.198 -1.760 252 HA THR 44 HA THR 44 -15.307 2.308 -3.445 253 HB THR 44 HB THR 44 -12.956 1.757 -4.236 254 HG1 THR 44 HG1 THR 44 -12.305 3.271 -2.158 255 HG21 THR 44 HG21 THR 44 -12.779 3.768 -5.607 256 HG22 THR 44 HG22 THR 44 -13.884 4.612 -4.522 257 HG23 THR 44 HG23 THR 44 -14.458 3.245 -5.477 258 HA PRO 45 HA PRO 45 -14.628 -1.295 -0.939 259 HB2 PRO 45 HB2 PRO 45 -14.077 -3.167 -2.852 260 HB3 PRO 45 HB1 PRO 45 -15.704 -2.568 -2.516 261 HG2 PRO 45 HG2 PRO 45 -13.794 -1.759 -4.671 262 HG3 PRO 45 HG1 PRO 45 -15.540 -2.050 -4.773 263 HD2 PRO 45 HD2 PRO 45 -14.511 0.434 -4.646 264 HD3 PRO 45 HD1 PRO 45 -16.063 0.021 -3.890 265 H THR 46 HN THR 46 -12.998 -2.735 -0.199 266 HA THR 46 HA THR 46 -10.447 -1.601 -0.073 267 HB THR 46 HB THR 46 -10.917 -4.511 0.454 268 HG1 THR 46 HG1 THR 46 -12.204 -4.054 2.120 269 HG21 THR 46 HG21 THR 46 -8.675 -3.595 0.830 270 HG22 THR 46 HG22 THR 46 -9.429 -4.090 2.345 271 HG23 THR 46 HG23 THR 46 -9.356 -2.383 1.916 272 H SER 47 HN SER 47 -11.697 -4.271 -2.025 273 HA SER 47 HA SER 47 -9.285 -5.265 -2.991 274 HB2 SER 47 HB2 SER 47 -11.901 -5.189 -4.504 275 HB3 SER 47 HB1 SER 47 -10.588 -6.351 -4.699 276 HG SER 47 HG SER 47 -11.370 -7.454 -3.104 277 H SER 48 HN SER 48 -11.301 -2.618 -4.182 278 HA SER 48 HA SER 48 -9.846 -2.090 -6.524 279 HB2 SER 48 HB2 SER 48 -11.556 -0.306 -4.785 280 HB3 SER 48 HB1 SER 48 -10.953 0.129 -6.374 281 HG SER 48 HG SER 48 -12.818 -0.735 -6.929 282 H LYS 49 HN LYS 49 -9.663 -0.781 -3.242 283 HA LYS 49 HA LYS 49 -7.666 1.122 -3.637 284 HB2 LYS 49 HB2 LYS 49 -8.006 -0.601 -1.181 285 HB3 LYS 49 HB1 LYS 49 -7.259 0.986 -1.255 286 HG2 LYS 49 HG2 LYS 49 -9.409 1.988 -1.784 287 HG3 LYS 49 HG1 LYS 49 -10.166 0.393 -1.770 288 HD2 LYS 49 HD2 LYS 49 -9.317 0.182 0.620 289 HD3 LYS 49 HD1 LYS 49 -8.966 1.910 0.536 290 HE2 LYS 49 HE2 LYS 49 -11.303 2.369 0.028 291 HE3 LYS 49 HE1 LYS 49 -11.655 0.642 0.064 292 HZ1 LYS 49 HZ1 LYS 49 -10.761 2.305 2.357 293 HZ2 LYS 49 HZ2 LYS 49 -10.971 0.633 2.413 294 HZ3 LYS 49 HZ3 LYS 49 -12.298 1.638 2.135 295 H VAL 50 HN VAL 50 -7.423 -2.301 -2.737 296 HA VAL 50 HA VAL 50 -4.606 -2.351 -2.467 297 HB VAL 50 HB VAL 50 -6.450 -4.649 -3.148 298 HG11 VAL 50 HG11 VAL 50 -4.098 -5.147 -3.610 299 HG12 VAL 50 HG12 VAL 50 -4.699 -6.076 -2.236 300 HG13 VAL 50 HG13 VAL 50 -3.676 -4.666 -1.969 301 HG21 VAL 50 HG21 VAL 50 -6.393 -5.119 -0.735 302 HG22 VAL 50 HG22 VAL 50 -7.127 -3.556 -1.092 303 HG23 VAL 50 HG23 VAL 50 -5.475 -3.636 -0.481 304 H HIS 51 HN HIS 51 -6.716 -3.189 -5.199 305 HA HIS 51 HA HIS 51 -4.646 -4.063 -6.921 306 HB2 HIS 51 HB2 HIS 51 -7.454 -3.089 -7.424 307 HB3 HIS 51 HB1 HIS 51 -6.383 -3.535 -8.744 308 HD1 HIS 51 HD1 HIS 51 -7.980 -5.477 -9.381 309 HD2 HIS 51 HD2 HIS 51 -6.335 -5.800 -5.580 310 HE1 HIS 51 HE1 HIS 51 -8.445 -7.834 -8.644 311 HE2 HIS 51 HE2 HIS 51 -7.335 -8.048 -6.390 312 H PHE 52 HN PHE 52 -6.155 -0.913 -6.395 313 HA PHE 52 HA PHE 52 -4.856 0.419 -8.522 314 HB2 PHE 52 HB2 PHE 52 -6.880 1.227 -7.212 315 HB3 PHE 52 HB1 PHE 52 -5.762 1.688 -5.934 316 HD1 PHE 52 HD1 PHE 52 -4.090 3.470 -6.342 317 HD2 PHE 52 HD2 PHE 52 -7.129 2.536 -9.170 318 HE1 PHE 52 HE1 PHE 52 -3.716 5.631 -7.452 319 HE2 PHE 52 HE2 PHE 52 -6.761 4.698 -10.285 320 HZ PHE 52 HZ PHE 52 -5.051 6.247 -9.428 321 H LEU 53 HN LEU 53 -4.044 -0.012 -5.095 322 HA LEU 53 HA LEU 53 -1.716 1.573 -5.123 323 HB2 LEU 53 HB2 LEU 53 -2.423 -0.784 -3.380 324 HB3 LEU 53 HB1 LEU 53 -1.063 0.285 -3.097 325 HG LEU 53 HG LEU 53 -3.986 1.013 -2.987 326 HD11 LEU 53 HD11 LEU 53 -1.833 0.816 -0.895 327 HD12 LEU 53 HD12 LEU 53 -3.296 -0.163 -1.032 328 HD13 LEU 53 HD13 LEU 53 -3.415 1.549 -0.629 329 HD21 LEU 53 HD21 LEU 53 -1.541 2.755 -2.739 330 HD22 LEU 53 HD22 LEU 53 -3.160 3.240 -2.241 331 HD23 LEU 53 HD23 LEU 53 -2.832 2.883 -3.935 332 H LYS 54 HN LYS 54 -2.275 -1.809 -5.945 333 HA LYS 54 HA LYS 54 0.403 -2.606 -6.170 334 HB2 LYS 54 HB2 LYS 54 -1.510 -4.179 -6.276 335 HB3 LYS 54 HB1 LYS 54 -1.940 -3.528 -7.853 336 HG2 LYS 54 HG2 LYS 54 0.391 -4.205 -8.600 337 HG3 LYS 54 HG1 LYS 54 0.491 -5.119 -7.098 338 HD2 LYS 54 HD2 LYS 54 -0.194 -6.584 -8.886 339 HD3 LYS 54 HD1 LYS 54 -1.537 -6.365 -7.767 340 HE2 LYS 54 HE2 LYS 54 -2.599 -4.808 -9.255 341 HE3 LYS 54 HE1 LYS 54 -1.194 -4.803 -10.320 342 HZ1 LYS 54 HZ1 LYS 54 -2.839 -7.208 -9.770 343 HZ2 LYS 54 HZ2 LYS 54 -1.625 -7.043 -10.936 344 HZ3 LYS 54 HZ3 LYS 54 -3.073 -6.191 -11.101 345 H SER 55 HN SER 55 -1.789 -1.114 -8.533 346 HA SER 55 HA SER 55 0.123 -1.098 -10.633 347 HB2 SER 55 HB2 SER 55 -1.546 0.499 -11.693 348 HB3 SER 55 HB1 SER 55 -2.141 -1.106 -11.300 349 HG SER 55 HG SER 55 -2.459 0.688 -9.254 350 H LYS 56 HN LYS 56 -0.248 0.823 -7.872 351 HA LYS 56 HA LYS 56 0.944 3.206 -8.963 352 HB2 LYS 56 HB2 LYS 56 0.250 2.306 -6.180 353 HB3 LYS 56 HB1 LYS 56 1.133 3.788 -6.484 354 HG2 LYS 56 HG2 LYS 56 -0.755 4.569 -7.888 355 HG3 LYS 56 HG1 LYS 56 -1.643 3.118 -7.420 356 HD2 LYS 56 HD2 LYS 56 -2.354 4.915 -6.005 357 HD3 LYS 56 HD1 LYS 56 -1.378 3.810 -5.039 358 HE2 LYS 56 HE2 LYS 56 -0.800 6.112 -4.535 359 HE3 LYS 56 HE1 LYS 56 0.555 5.299 -5.311 360 HZ1 LYS 56 HZ1 LYS 56 -1.369 7.092 -6.690 361 HZ2 LYS 56 HZ2 LYS 56 -0.013 6.362 -7.387 362 HZ3 LYS 56 HZ3 LYS 56 0.183 7.535 -6.186 363 H GLY 57 HN GLY 57 2.146 0.238 -8.401 364 HA2 GLY 57 HA2 GLY 57 4.420 -0.297 -8.710 365 HA3 GLY 57 HA1 GLY 57 4.851 1.315 -8.160 366 H LEU 58 HN LEU 58 2.532 -0.224 -6.213 367 HA LEU 58 HA LEU 58 4.528 -0.571 -4.125 368 HB2 LEU 58 HB2 LEU 58 1.563 -0.355 -4.176 369 HB3 LEU 58 HB1 LEU 58 2.307 -1.217 -2.846 370 HG LEU 58 HG LEU 58 3.757 0.914 -2.590 371 HD11 LEU 58 HD11 LEU 58 3.074 2.003 -4.650 372 HD12 LEU 58 HD12 LEU 58 2.605 2.968 -3.250 373 HD13 LEU 58 HD13 LEU 58 1.397 2.010 -4.108 374 HD21 LEU 58 HD21 LEU 58 0.837 0.900 -1.867 375 HD22 LEU 58 HD22 LEU 58 2.107 1.835 -1.075 376 HD23 LEU 58 HD23 LEU 58 2.124 0.072 -0.990 377 H SER 59 HN SER 59 4.904 -2.440 -3.030 378 HA SER 59 HA SER 59 4.090 -4.922 -4.324 379 HB2 SER 59 HB2 SER 59 5.821 -4.665 -1.879 380 HB3 SER 59 HB1 SER 59 5.837 -5.937 -3.103 381 HG SER 59 HG SER 59 7.105 -3.500 -3.047 382 H ALA 60 HN ALA 60 3.581 -6.741 -2.634 383 HA ALA 60 HA ALA 60 1.153 -6.106 -1.393 384 HB1 ALA 60 HB1 ALA 60 1.721 -8.366 -2.116 385 HB2 ALA 60 HB2 ALA 60 1.261 -8.344 -0.413 386 HB3 ALA 60 HB3 ALA 60 2.961 -8.462 -0.866 387 H GLU 61 HN GLU 61 4.437 -6.236 -0.135 388 HA GLU 61 HA GLU 61 3.760 -6.089 2.608 389 HB2 GLU 61 HB2 GLU 61 6.293 -5.191 1.225 390 HB3 GLU 61 HB1 GLU 61 6.101 -5.396 2.958 391 HG2 GLU 61 HG2 GLU 61 7.114 -7.360 2.413 392 HG3 GLU 61 HG1 GLU 61 5.423 -7.833 2.288 393 H GLU 62 HN GLU 62 4.597 -3.601 0.222 394 HA GLU 62 HA GLU 62 4.514 -1.415 1.992 395 HB2 GLU 62 HB2 GLU 62 4.191 -1.635 -0.991 396 HB3 GLU 62 HB1 GLU 62 4.001 -0.094 -0.169 397 HG2 GLU 62 HG2 GLU 62 6.213 -0.191 -0.997 398 HG3 GLU 62 HG1 GLU 62 6.297 -0.387 0.751 399 H ILE 63 HN ILE 63 2.038 -2.884 -0.056 400 HA ILE 63 HA ILE 63 -0.034 -1.063 0.502 401 HB ILE 63 HB ILE 63 -0.251 -3.997 -0.198 402 HG12 ILE 63 HG12 ILE 63 -0.371 -1.579 -2.011 403 HG13 ILE 63 HG11 ILE 63 1.053 -2.593 -1.810 404 HG21 ILE 63 HG21 ILE 63 -2.269 -1.767 -0.371 405 HG22 ILE 63 HG22 ILE 63 -2.335 -3.170 0.693 406 HG23 ILE 63 HG23 ILE 63 -2.485 -3.378 -1.050 407 HD11 ILE 63 HD11 ILE 63 -1.612 -3.503 -2.871 408 HD12 ILE 63 HD12 ILE 63 -0.165 -4.499 -2.696 409 HD13 ILE 63 HD13 ILE 63 -0.177 -3.151 -3.833 410 H CYS 64 HN CYS 64 0.884 -4.121 2.031 411 HA CYS 64 HA CYS 64 -1.186 -4.337 3.879 412 HB2 CYS 64 HB2 CYS 64 0.355 -6.166 3.435 413 HB3 CYS 64 HB1 CYS 64 1.693 -5.235 4.097 414 HG CYS 64 HG CYS 64 -0.989 -6.044 6.043 415 H GLU 65 HN GLU 65 1.949 -2.705 4.169 416 HA GLU 65 HA GLU 65 1.614 -1.958 6.872 417 HB2 GLU 65 HB2 GLU 65 3.821 -2.047 5.985 418 HB3 GLU 65 HB1 GLU 65 3.407 -0.957 4.670 419 HG2 GLU 65 HG2 GLU 65 3.259 0.887 6.129 420 HG3 GLU 65 HG1 GLU 65 3.359 -0.142 7.555 421 H ALA 66 HN ALA 66 1.118 -0.217 3.809 422 HA ALA 66 HA ALA 66 0.418 2.264 4.860 423 HB1 ALA 66 HB1 ALA 66 0.876 1.901 2.496 424 HB2 ALA 66 HB2 ALA 66 -0.695 2.675 2.718 425 HB3 ALA 66 HB3 ALA 66 -0.604 0.953 2.344 426 H PHE 67 HN PHE 67 -1.648 -0.515 4.076 427 HA PHE 67 HA PHE 67 -4.101 0.639 4.718 428 HB2 PHE 67 HB2 PHE 67 -3.068 -2.091 4.392 429 HB3 PHE 67 HB1 PHE 67 -4.468 -1.966 5.452 430 HD1 PHE 67 HD1 PHE 67 -3.277 -1.766 2.032 431 HD2 PHE 67 HD2 PHE 67 -6.576 -1.044 4.613 432 HE1 PHE 67 HE1 PHE 67 -4.772 -1.621 0.080 433 HE2 PHE 67 HE2 PHE 67 -8.074 -0.897 2.675 434 HZ PHE 67 HZ PHE 67 -7.177 -1.185 0.406 435 H THR 68 HN THR 68 -1.737 -0.967 6.792 436 HA THR 68 HA THR 68 -3.410 -1.040 9.073 437 HB THR 68 HB THR 68 -0.407 -1.041 9.067 438 HG1 THR 68 HG1 THR 68 -1.089 -2.647 7.628 439 HG21 THR 68 HG21 THR 68 -2.433 -2.276 10.936 440 HG22 THR 68 HG22 THR 68 -1.456 -0.847 11.272 441 HG23 THR 68 HG23 THR 68 -0.681 -2.418 11.081 442 H LYS 69 HN LYS 69 -1.203 1.296 7.751 443 HA LYS 69 HA LYS 69 -1.103 2.963 10.047 444 HB2 LYS 69 HB2 LYS 69 -0.554 3.652 7.164 445 HB3 LYS 69 HB1 LYS 69 -0.010 4.544 8.581 446 HG2 LYS 69 HG2 LYS 69 1.165 2.402 9.281 447 HG3 LYS 69 HG1 LYS 69 0.832 1.821 7.659 448 HD2 LYS 69 HD2 LYS 69 3.105 2.813 7.918 449 HD3 LYS 69 HD1 LYS 69 2.125 3.558 6.657 450 HE2 LYS 69 HE2 LYS 69 3.324 5.239 7.945 451 HE3 LYS 69 HE1 LYS 69 1.586 5.402 8.159 452 HZ1 LYS 69 HZ1 LYS 69 3.427 4.075 10.077 453 HZ2 LYS 69 HZ2 LYS 69 1.765 4.302 10.289 454 HZ3 LYS 69 HZ3 LYS 69 2.800 5.638 10.243 455 H VAL 70 HN VAL 70 -3.274 2.728 7.322 456 HA VAL 70 HA VAL 70 -4.476 5.309 7.844 457 HB VAL 70 HB VAL 70 -5.939 4.893 6.007 458 HG11 VAL 70 HG11 VAL 70 -3.956 5.575 5.100 459 HG12 VAL 70 HG12 VAL 70 -4.151 4.020 4.290 460 HG13 VAL 70 HG13 VAL 70 -3.081 4.160 5.678 461 HG21 VAL 70 HG21 VAL 70 -6.571 2.585 6.479 462 HG22 VAL 70 HG22 VAL 70 -4.960 2.038 6.014 463 HG23 VAL 70 HG23 VAL 70 -6.030 2.756 4.809 464 H GLY 71 HN GLY 71 -4.665 2.460 9.423 465 HA2 GLY 71 HA2 GLY 71 -6.074 2.174 11.306 466 HA3 GLY 71 HA1 GLY 71 -7.271 3.205 10.538 467 H GLN 72 HN GLN 72 -5.860 0.819 8.547 468 HA GLN 72 HA GLN 72 -8.141 -0.988 8.986 469 HB2 GLN 72 HB2 GLN 72 -8.487 0.344 6.942 470 HB3 GLN 72 HB1 GLN 72 -6.921 -0.171 6.338 471 HG2 GLN 72 HG2 GLN 72 -8.531 -1.470 5.220 472 HG3 GLN 72 HG1 GLN 72 -7.787 -2.527 6.417 473 HE21 GLN 72 HE21 GLN 72 -10.627 -0.776 5.515 474 HE22 GLN 72 HE22 GLN 72 -11.713 -1.576 6.598 475 HA PRO 73 HA PRO 73 -4.216 -3.262 9.458 476 HB2 PRO 73 HB2 PRO 73 -5.118 -5.080 11.231 477 HB3 PRO 73 HB1 PRO 73 -4.606 -3.455 11.701 478 HG2 PRO 73 HG2 PRO 73 -7.362 -4.541 11.323 479 HG3 PRO 73 HG1 PRO 73 -6.763 -3.408 12.547 480 HD2 PRO 73 HD2 PRO 73 -8.161 -2.651 10.314 481 HD3 PRO 73 HD1 PRO 73 -7.011 -1.599 11.162 482 H LYS 74 HN LYS 74 -4.305 -4.061 7.376 483 HA LYS 74 HA LYS 74 -5.697 -6.613 6.999 484 HB2 LYS 74 HB2 LYS 74 -4.392 -4.749 5.007 485 HB3 LYS 74 HB1 LYS 74 -5.027 -6.333 4.589 486 HG2 LYS 74 HG2 LYS 74 -6.626 -4.034 5.690 487 HG3 LYS 74 HG1 LYS 74 -6.585 -4.557 4.007 488 HD2 LYS 74 HD2 LYS 74 -7.445 -6.776 4.740 489 HD3 LYS 74 HD1 LYS 74 -7.609 -6.126 6.371 490 HE2 LYS 74 HE2 LYS 74 -9.122 -4.387 5.485 491 HE3 LYS 74 HE1 LYS 74 -9.004 -5.131 3.895 492 HZ1 LYS 74 HZ1 LYS 74 -10.111 -6.402 6.338 493 HZ2 LYS 74 HZ2 LYS 74 -9.942 -7.164 4.841 494 HZ3 LYS 74 HZ3 LYS 74 -10.999 -5.857 5.004 495 H THR 75 HN THR 75 -4.574 -8.473 6.727 496 HA THR 75 HA THR 75 -1.818 -8.467 7.519 497 HB THR 75 HB THR 75 -1.967 -10.926 7.239 498 HG1 THR 75 HG1 THR 75 -4.315 -11.597 6.851 499 HG21 THR 75 HG21 THR 75 -2.632 -9.933 9.363 500 HG22 THR 75 HG22 THR 75 -3.649 -11.325 8.992 501 HG23 THR 75 HG23 THR 75 -4.269 -9.691 8.755 502 H LEU 76 HN LEU 76 -0.145 -9.583 6.263 503 HA LEU 76 HA LEU 76 0.090 -8.650 3.624 504 HB2 LEU 76 HB2 LEU 76 1.995 -9.225 5.093 505 HB3 LEU 76 HB1 LEU 76 1.554 -10.917 4.985 506 HG LEU 76 HG LEU 76 2.063 -10.923 2.598 507 HD11 LEU 76 HD11 LEU 76 1.475 -8.632 2.058 508 HD12 LEU 76 HD12 LEU 76 3.135 -8.969 1.565 509 HD13 LEU 76 HD13 LEU 76 2.822 -8.038 3.029 510 HD21 LEU 76 HD21 LEU 76 3.834 -11.435 4.208 511 HD22 LEU 76 HD22 LEU 76 4.281 -9.730 4.257 512 HD23 LEU 76 HD23 LEU 76 4.477 -10.650 2.765 513 H ASN 77 HN ASN 77 -1.076 -11.599 5.039 514 HA ASN 77 HA ASN 77 -1.334 -13.217 2.773 515 HB2 ASN 77 HB2 ASN 77 -1.641 -13.993 5.100 516 HB3 ASN 77 HB1 ASN 77 -3.130 -13.065 5.203 517 HD21 ASN 77 HD21 ASN 77 -4.533 -14.695 5.497 518 HD22 ASN 77 HD22 ASN 77 -4.840 -15.934 4.330 519 H GLU 78 HN GLU 78 -3.599 -10.891 4.228 520 HA GLU 78 HA GLU 78 -5.744 -11.317 2.479 521 HB2 GLU 78 HB2 GLU 78 -4.926 -8.881 4.052 522 HB3 GLU 78 HB1 GLU 78 -6.387 -8.924 3.076 523 HG2 GLU 78 HG2 GLU 78 -5.731 -10.646 5.439 524 HG3 GLU 78 HG1 GLU 78 -6.958 -9.387 5.344 525 H ILE 79 HN ILE 79 -3.047 -9.041 2.277 526 HA ILE 79 HA ILE 79 -3.943 -7.659 0.012 527 HB ILE 79 HB ILE 79 -1.071 -8.140 0.814 528 HG12 ILE 79 HG12 ILE 79 -2.269 -7.221 2.701 529 HG13 ILE 79 HG11 ILE 79 -1.290 -5.945 1.988 530 HG21 ILE 79 HG21 ILE 79 -1.303 -7.254 -1.441 531 HG22 ILE 79 HG22 ILE 79 -0.631 -6.036 -0.356 532 HG23 ILE 79 HG23 ILE 79 -2.326 -5.951 -0.836 533 HD11 ILE 79 HD11 ILE 79 -3.455 -5.090 2.612 534 HD12 ILE 79 HD12 ILE 79 -4.257 -6.327 1.646 535 HD13 ILE 79 HD13 ILE 79 -3.295 -5.078 0.856 536 H LYS 80 HN LYS 80 -1.769 -10.463 0.291 537 HA LYS 80 HA LYS 80 -1.377 -10.810 -2.487 538 HB2 LYS 80 HB2 LYS 80 -1.270 -12.869 -0.272 539 HB3 LYS 80 HB1 LYS 80 -0.640 -13.091 -1.900 540 HG2 LYS 80 HG2 LYS 80 0.860 -11.136 -1.481 541 HG3 LYS 80 HG1 LYS 80 0.338 -11.182 0.202 542 HD2 LYS 80 HD2 LYS 80 1.185 -13.444 0.432 543 HD3 LYS 80 HD1 LYS 80 1.639 -13.470 -1.274 544 HE2 LYS 80 HE2 LYS 80 3.184 -11.593 -0.860 545 HE3 LYS 80 HE1 LYS 80 2.771 -11.656 0.851 546 HZ1 LYS 80 HZ1 LYS 80 4.818 -12.828 0.420 547 HZ2 LYS 80 HZ2 LYS 80 4.059 -13.825 -0.712 548 HZ3 LYS 80 HZ3 LYS 80 3.632 -13.925 0.922 549 H ARG 81 HN ARG 81 -3.760 -12.080 -0.238 550 HA ARG 81 HA ARG 81 -5.092 -13.849 -1.957 551 HB2 ARG 81 HB2 ARG 81 -5.442 -13.655 0.516 552 HB3 ARG 81 HB1 ARG 81 -6.326 -12.164 0.233 553 HG2 ARG 81 HG2 ARG 81 -7.964 -13.810 0.503 554 HG3 ARG 81 HG1 ARG 81 -7.877 -13.537 -1.238 555 HD2 ARG 81 HD2 ARG 81 -7.984 -15.907 -0.807 556 HD3 ARG 81 HD1 ARG 81 -6.388 -15.498 -1.432 557 HE ARG 81 HE ARG 81 -6.683 -15.629 1.466 558 HH11 ARG 81 HH11 ARG 81 -5.619 -17.189 -1.481 559 HH12 ARG 81 HH12 ARG 81 -4.601 -18.330 -0.666 560 HH21 ARG 81 HH21 ARG 81 -5.354 -17.143 2.549 561 HH22 ARG 81 HH22 ARG 81 -4.452 -18.305 1.633 562 H ILE 82 HN ILE 82 -5.628 -10.418 -1.307 563 HA ILE 82 HA ILE 82 -7.873 -10.126 -3.010 564 HB ILE 82 HB ILE 82 -5.945 -8.089 -1.885 565 HG12 ILE 82 HG12 ILE 82 -8.797 -8.622 -1.069 566 HG13 ILE 82 HG11 ILE 82 -7.455 -9.524 -0.372 567 HG21 ILE 82 HG21 ILE 82 -8.588 -7.628 -3.265 568 HG22 ILE 82 HG22 ILE 82 -6.999 -7.180 -3.884 569 HG23 ILE 82 HG23 ILE 82 -7.633 -6.399 -2.436 570 HD11 ILE 82 HD11 ILE 82 -7.911 -6.554 -0.209 571 HD12 ILE 82 HD12 ILE 82 -6.488 -7.393 0.412 572 HD13 ILE 82 HD13 ILE 82 -8.078 -7.732 1.094 573 H LEU 83 HN LEU 83 -4.410 -9.871 -3.533 574 HA LEU 83 HA LEU 83 -4.715 -8.740 -6.172 575 HB2 LEU 83 HB2 LEU 83 -2.301 -9.849 -4.745 576 HB3 LEU 83 HB1 LEU 83 -2.256 -9.079 -6.320 577 HG LEU 83 HG LEU 83 -3.074 -7.752 -3.734 578 HD11 LEU 83 HD11 LEU 83 -0.682 -8.198 -3.854 579 HD12 LEU 83 HD12 LEU 83 -1.017 -6.472 -3.999 580 HD13 LEU 83 HD13 LEU 83 -0.608 -7.415 -5.432 581 HD21 LEU 83 HD21 LEU 83 -2.939 -5.677 -5.165 582 HD22 LEU 83 HD22 LEU 83 -4.316 -6.734 -5.470 583 HD23 LEU 83 HD23 LEU 83 -2.936 -6.748 -6.565 584 H SER 84 HN SER 84 -5.163 -11.775 -4.948 585 HA SER 84 HA SER 84 -4.318 -13.101 -7.423 586 HB2 SER 84 HB2 SER 84 -5.254 -14.304 -4.807 587 HB3 SER 84 HB1 SER 84 -4.664 -15.206 -6.202 588 HG SER 84 HG SER 84 -3.202 -13.338 -4.626 Start of MODEL 3 1 H1 LYS 15 HT1 LYS 15 17.004 -12.392 3.834 2 H2 LYS 15 HT2 LYS 15 17.770 -11.725 2.483 3 H3 LYS 15 HT3 LYS 15 16.932 -13.185 2.343 4 HA LYS 15 HA LYS 15 14.851 -12.092 2.802 5 HB2 LYS 15 HB2 LYS 15 16.500 -9.558 2.782 6 HB3 LYS 15 HB1 LYS 15 14.755 -9.654 2.932 7 HG2 LYS 15 HG2 LYS 15 14.952 -10.738 5.074 8 HG3 LYS 15 HG1 LYS 15 16.708 -10.792 4.916 9 HD2 LYS 15 HD2 LYS 15 16.042 -8.962 6.366 10 HD3 LYS 15 HD1 LYS 15 16.773 -8.341 4.887 11 HE2 LYS 15 HE2 LYS 15 14.546 -7.912 3.971 12 HE3 LYS 15 HE1 LYS 15 13.815 -8.533 5.449 13 HZ1 LYS 15 HZ1 LYS 15 15.581 -6.154 5.261 14 HZ2 LYS 15 HZ2 LYS 15 14.875 -6.749 6.678 15 HZ3 LYS 15 HZ3 LYS 15 13.901 -6.126 5.448 16 HA PRO 16 HA PRO 16 14.689 -11.645 -1.616 17 HB2 PRO 16 HB2 PRO 16 12.287 -10.412 -1.899 18 HB3 PRO 16 HB1 PRO 16 12.440 -12.126 -1.496 19 HG2 PRO 16 HG2 PRO 16 11.930 -9.794 0.311 20 HG3 PRO 16 HG1 PRO 16 11.152 -11.389 0.300 21 HD2 PRO 16 HD2 PRO 16 13.103 -10.750 2.052 22 HD3 PRO 16 HD1 PRO 16 12.919 -12.390 1.404 23 H GLU 17 HN GLU 17 15.008 -10.079 -3.221 24 HA GLU 17 HA GLU 17 15.852 -7.508 -2.144 25 HB2 GLU 17 HB2 GLU 17 16.369 -8.823 -4.811 26 HB3 GLU 17 HB1 GLU 17 16.946 -7.220 -4.380 27 HG2 GLU 17 HG2 GLU 17 18.160 -8.259 -2.464 28 HG3 GLU 17 HG1 GLU 17 17.702 -9.835 -3.107 29 H VAL 18 HN VAL 18 13.012 -8.307 -2.754 30 HA VAL 18 HA VAL 18 12.085 -6.712 -4.897 31 HB VAL 18 HB VAL 18 10.599 -7.454 -2.370 32 HG11 VAL 18 HG11 VAL 18 9.570 -6.595 -5.071 33 HG12 VAL 18 HG12 VAL 18 9.520 -5.644 -3.586 34 HG13 VAL 18 HG13 VAL 18 8.577 -7.129 -3.713 35 HG21 VAL 18 HG21 VAL 18 9.696 -9.328 -3.655 36 HG22 VAL 18 HG22 VAL 18 11.452 -9.430 -3.516 37 HG23 VAL 18 HG23 VAL 18 10.717 -8.883 -5.022 38 H GLU 19 HN GLU 19 12.474 -6.131 -1.455 39 HA GLU 19 HA GLU 19 12.508 -3.244 -2.015 40 HB2 GLU 19 HB2 GLU 19 11.569 -4.673 0.469 41 HB3 GLU 19 HB1 GLU 19 11.799 -2.936 0.360 42 HG2 GLU 19 HG2 GLU 19 10.094 -2.875 -1.434 43 HG3 GLU 19 HG1 GLU 19 9.818 -4.600 -1.173 44 H HIS 20 HN HIS 20 14.641 -2.826 -2.134 45 HA HIS 20 HA HIS 20 16.286 -3.701 0.146 46 HB2 HIS 20 HB2 HIS 20 18.246 -3.689 -1.293 47 HB3 HIS 20 HB1 HIS 20 17.016 -4.740 -1.981 48 HD1 HIS 20 HD1 HIS 20 18.959 -1.649 -2.643 49 HD2 HIS 20 HD2 HIS 20 15.853 -3.795 -4.384 50 HE1 HIS 20 HE1 HIS 20 18.737 -0.743 -4.981 51 HE2 HIS 20 HE2 HIS 20 16.926 -2.135 -6.048 52 H THR 21 HN THR 21 14.672 -1.170 -0.970 53 HA THR 21 HA THR 21 16.580 0.704 0.246 54 HB THR 21 HB THR 21 14.738 1.494 -2.006 55 HG1 THR 21 HG1 THR 21 16.183 0.852 -3.405 56 HG21 THR 21 HG21 THR 21 15.527 3.296 -0.542 57 HG22 THR 21 HG22 THR 21 16.220 3.435 -2.159 58 HG23 THR 21 HG23 THR 21 17.195 2.802 -0.833 59 H HIS 22 HN HIS 22 15.713 1.448 2.060 60 HA HIS 22 HA HIS 22 13.018 0.993 2.778 61 HB2 HIS 22 HB2 HIS 22 15.065 2.821 4.043 62 HB3 HIS 22 HB1 HIS 22 13.527 2.386 4.769 63 HD1 HIS 22 HD1 HIS 22 13.568 0.417 6.269 64 HD2 HIS 22 HD2 HIS 22 16.778 0.417 3.634 65 HE1 HIS 22 HE1 HIS 22 15.009 -1.525 6.956 66 HE2 HIS 22 HE2 HIS 22 17.021 -1.407 5.450 67 H SER 23 HN SER 23 14.711 3.776 1.504 68 HA SER 23 HA SER 23 12.710 5.701 1.915 69 HB2 SER 23 HB2 SER 23 15.042 6.257 1.351 70 HB3 SER 23 HB1 SER 23 14.815 5.576 -0.256 71 HG SER 23 HG SER 23 12.884 7.374 0.224 72 H GLU 24 HN GLU 24 13.149 3.270 -0.572 73 HA GLU 24 HA GLU 24 11.312 4.397 -2.412 74 HB2 GLU 24 HB2 GLU 24 12.403 1.603 -2.126 75 HB3 GLU 24 HB1 GLU 24 11.272 2.055 -3.393 76 HG2 GLU 24 HG2 GLU 24 12.896 3.806 -4.114 77 HG3 GLU 24 HG1 GLU 24 14.042 3.141 -2.953 78 H ARG 25 HN ARG 25 10.978 1.973 0.170 79 HA ARG 25 HA ARG 25 8.227 1.517 -0.252 80 HB2 ARG 25 HB2 ARG 25 9.245 -0.080 1.130 81 HB3 ARG 25 HB1 ARG 25 10.068 1.143 2.097 82 HG2 ARG 25 HG2 ARG 25 7.952 1.829 3.051 83 HG3 ARG 25 HG1 ARG 25 7.107 0.633 2.076 84 HD2 ARG 25 HD2 ARG 25 9.229 -0.049 4.100 85 HD3 ARG 25 HD1 ARG 25 7.505 -0.021 4.462 86 HE ARG 25 HE ARG 25 8.440 -1.721 2.262 87 HH11 ARG 25 HH11 ARG 25 7.152 -1.440 5.527 88 HH12 ARG 25 HH12 ARG 25 6.747 -3.123 5.639 89 HH21 ARG 25 HH21 ARG 25 7.905 -3.918 2.417 90 HH22 ARG 25 HH22 ARG 25 7.185 -4.530 3.885 91 H GLU 26 HN GLU 26 10.037 3.762 1.799 92 HA GLU 26 HA GLU 26 7.943 4.781 3.291 93 HB2 GLU 26 HB2 GLU 26 10.342 5.131 3.720 94 HB3 GLU 26 HB1 GLU 26 10.434 6.183 2.317 95 HG2 GLU 26 HG2 GLU 26 10.346 7.510 4.261 96 HG3 GLU 26 HG1 GLU 26 8.820 7.694 3.410 97 H LYS 27 HN LYS 27 9.224 5.934 0.178 98 HA LYS 27 HA LYS 27 7.434 8.121 0.015 99 HB2 LYS 27 HB2 LYS 27 8.186 8.413 -2.250 100 HB3 LYS 27 HB1 LYS 27 9.565 8.007 -1.245 101 HG2 LYS 27 HG2 LYS 27 9.407 5.671 -2.066 102 HG3 LYS 27 HG1 LYS 27 8.125 6.191 -3.164 103 HD2 LYS 27 HD2 LYS 27 9.683 7.809 -4.179 104 HD3 LYS 27 HD1 LYS 27 10.961 7.230 -3.111 105 HE2 LYS 27 HE2 LYS 27 10.629 4.951 -4.102 106 HE3 LYS 27 HE1 LYS 27 9.531 5.684 -5.266 107 HZ1 LYS 27 HZ1 LYS 27 12.389 6.412 -4.919 108 HZ2 LYS 27 HZ2 LYS 27 11.332 7.063 -6.067 109 HZ3 LYS 27 HZ3 LYS 27 11.772 5.433 -6.154 110 H ARG 28 HN ARG 28 7.279 4.812 -1.263 111 HA ARG 28 HA ARG 28 4.922 5.293 -2.783 112 HB2 ARG 28 HB2 ARG 28 6.254 2.749 -1.879 113 HB3 ARG 28 HB1 ARG 28 4.789 2.766 -2.855 114 HG2 ARG 28 HG2 ARG 28 6.011 4.103 -4.554 115 HG3 ARG 28 HG1 ARG 28 7.479 3.884 -3.601 116 HD2 ARG 28 HD2 ARG 28 5.800 1.676 -4.778 117 HD3 ARG 28 HD1 ARG 28 7.315 2.275 -5.444 118 HE ARG 28 HE ARG 28 7.072 0.921 -2.821 119 HH11 ARG 28 HH11 ARG 28 8.883 1.683 -5.731 120 HH12 ARG 28 HH12 ARG 28 10.183 0.608 -5.344 121 HH21 ARG 28 HH21 ARG 28 8.773 -0.466 -2.313 122 HH22 ARG 28 HH22 ARG 28 10.128 -0.619 -3.392 123 H VAL 29 HN VAL 29 5.505 3.962 0.451 124 HA VAL 29 HA VAL 29 2.809 3.237 0.916 125 HB VAL 29 HB VAL 29 5.021 3.857 2.882 126 HG11 VAL 29 HG11 VAL 29 3.630 2.730 4.560 127 HG12 VAL 29 HG12 VAL 29 2.318 2.614 3.388 128 HG13 VAL 29 HG13 VAL 29 2.856 4.195 3.954 129 HG21 VAL 29 HG21 VAL 29 5.445 1.921 1.473 130 HG22 VAL 29 HG22 VAL 29 3.867 1.253 1.892 131 HG23 VAL 29 HG23 VAL 29 5.112 1.420 3.130 132 H SER 30 HN SER 30 4.638 6.213 1.550 133 HA SER 30 HA SER 30 2.644 7.602 2.932 134 HB2 SER 30 HB2 SER 30 4.754 8.660 1.035 135 HB3 SER 30 HB1 SER 30 3.776 9.669 2.100 136 HG SER 30 HG SER 30 5.405 7.532 3.025 137 H ASN 31 HN ASN 31 3.189 7.221 -0.541 138 HA ASN 31 HA ASN 31 1.070 8.893 -1.391 139 HB2 ASN 31 HB2 ASN 31 2.669 6.720 -2.700 140 HB3 ASN 31 HB1 ASN 31 1.241 7.356 -3.505 141 HD21 ASN 31 HD21 ASN 31 4.489 8.002 -2.490 142 HD22 ASN 31 HD22 ASN 31 4.672 9.494 -3.346 143 H ALA 32 HN ALA 32 1.247 5.490 -0.535 144 HA ALA 32 HA ALA 32 -1.390 4.837 -1.403 145 HB1 ALA 32 HB1 ALA 32 0.407 3.428 0.559 146 HB2 ALA 32 HB2 ALA 32 0.338 3.140 -1.179 147 HB3 ALA 32 HB3 ALA 32 -1.054 2.759 -0.167 148 H VAL 33 HN VAL 33 0.029 5.631 1.739 149 HA VAL 33 HA VAL 33 -2.284 5.255 3.284 150 HB VAL 33 HB VAL 33 0.100 7.061 3.742 151 HG11 VAL 33 HG11 VAL 33 -1.727 7.879 5.102 152 HG12 VAL 33 HG12 VAL 33 -0.567 7.028 6.126 153 HG13 VAL 33 HG13 VAL 33 -2.077 6.245 5.666 154 HG21 VAL 33 HG21 VAL 33 0.879 5.279 5.181 155 HG22 VAL 33 HG22 VAL 33 0.565 4.648 3.566 156 HG23 VAL 33 HG23 VAL 33 -0.584 4.350 4.870 157 H GLU 34 HN GLU 34 -1.044 8.121 1.592 158 HA GLU 34 HA GLU 34 -3.087 9.866 2.501 159 HB2 GLU 34 HB2 GLU 34 -2.262 11.443 0.918 160 HB3 GLU 34 HB1 GLU 34 -0.871 10.567 1.537 161 HG2 GLU 34 HG2 GLU 34 -0.803 9.212 -0.472 162 HG3 GLU 34 HG1 GLU 34 -2.226 10.043 -1.096 163 H PHE 35 HN PHE 35 -2.819 7.658 -0.206 164 HA PHE 35 HA PHE 35 -5.133 8.572 -1.601 165 HB2 PHE 35 HB2 PHE 35 -3.441 7.348 -2.804 166 HB3 PHE 35 HB1 PHE 35 -3.575 5.982 -1.706 167 HD1 PHE 35 HD1 PHE 35 -5.541 7.940 -4.187 168 HD2 PHE 35 HD2 PHE 35 -4.942 4.199 -2.246 169 HE1 PHE 35 HE1 PHE 35 -7.182 6.895 -5.693 170 HE2 PHE 35 HE2 PHE 35 -6.579 3.150 -3.750 171 HZ PHE 35 HZ PHE 35 -7.703 4.498 -5.476 172 H LEU 36 HN LEU 36 -4.489 5.956 0.687 173 HA LEU 36 HA LEU 36 -7.095 4.856 0.636 174 HB2 LEU 36 HB2 LEU 36 -4.938 4.734 2.724 175 HB3 LEU 36 HB1 LEU 36 -6.377 3.737 2.736 176 HG LEU 36 HG LEU 36 -4.214 3.695 0.627 177 HD11 LEU 36 HD11 LEU 36 -3.720 1.469 1.510 178 HD12 LEU 36 HD12 LEU 36 -4.921 1.709 2.779 179 HD13 LEU 36 HD13 LEU 36 -3.479 2.723 2.727 180 HD21 LEU 36 HD21 LEU 36 -6.369 3.188 -0.349 181 HD22 LEU 36 HD22 LEU 36 -6.705 2.025 0.934 182 HD23 LEU 36 HD23 LEU 36 -5.408 1.715 -0.220 183 H LEU 37 HN LEU 37 -5.659 7.487 2.392 184 HA LEU 37 HA LEU 37 -7.805 7.628 4.326 185 HB2 LEU 37 HB2 LEU 37 -5.218 9.008 3.893 186 HB3 LEU 37 HB1 LEU 37 -6.460 9.896 4.757 187 HG LEU 37 HG LEU 37 -5.490 7.158 5.571 188 HD11 LEU 37 HD11 LEU 37 -4.737 9.866 6.668 189 HD12 LEU 37 HD12 LEU 37 -3.684 8.804 5.736 190 HD13 LEU 37 HD13 LEU 37 -4.251 8.306 7.330 191 HD21 LEU 37 HD21 LEU 37 -6.649 7.698 7.659 192 HD22 LEU 37 HD22 LEU 37 -7.755 7.722 6.284 193 HD23 LEU 37 HD23 LEU 37 -7.170 9.237 6.967 194 H ASP 38 HN ASP 38 -7.731 8.427 1.202 195 HA ASP 38 HA ASP 38 -8.838 11.065 1.310 196 HB2 ASP 38 HB2 ASP 38 -7.708 10.360 -0.713 197 HB3 ASP 38 HB1 ASP 38 -8.792 8.989 -0.891 198 H SER 39 HN SER 39 -10.946 11.670 1.449 199 HA SER 39 HA SER 39 -12.736 10.026 2.761 200 HB2 SER 39 HB2 SER 39 -13.386 12.461 1.091 201 HB3 SER 39 HB1 SER 39 -14.399 11.773 2.359 202 HG SER 39 HG SER 39 -12.870 13.627 2.848 203 H ARG 40 HN ARG 40 -12.508 10.687 -0.712 204 HA ARG 40 HA ARG 40 -14.877 9.272 -1.416 205 HB2 ARG 40 HB2 ARG 40 -12.442 9.945 -3.078 206 HB3 ARG 40 HB1 ARG 40 -13.953 9.316 -3.716 207 HG2 ARG 40 HG2 ARG 40 -15.109 11.323 -2.893 208 HG3 ARG 40 HG1 ARG 40 -13.562 11.955 -2.331 209 HD2 ARG 40 HD2 ARG 40 -12.709 12.033 -4.565 210 HD3 ARG 40 HD1 ARG 40 -14.123 11.188 -5.184 211 HE ARG 40 HE ARG 40 -15.228 13.369 -4.103 212 HH11 ARG 40 HH11 ARG 40 -12.483 12.979 -6.234 213 HH12 ARG 40 HH12 ARG 40 -12.723 14.495 -7.036 214 HH21 ARG 40 HH21 ARG 40 -15.573 15.355 -5.174 215 HH22 ARG 40 HH22 ARG 40 -14.498 15.847 -6.441 216 H VAL 41 HN VAL 41 -11.440 8.456 -1.406 217 HA VAL 41 HA VAL 41 -11.761 5.841 -2.440 218 HB VAL 41 HB VAL 41 -9.487 6.924 -0.770 219 HG11 VAL 41 HG11 VAL 41 -9.596 4.558 -2.639 220 HG12 VAL 41 HG12 VAL 41 -9.466 4.492 -0.882 221 HG13 VAL 41 HG13 VAL 41 -8.149 5.170 -1.837 222 HG21 VAL 41 HG21 VAL 41 -9.888 8.288 -2.745 223 HG22 VAL 41 HG22 VAL 41 -9.851 6.847 -3.763 224 HG23 VAL 41 HG23 VAL 41 -8.392 7.367 -2.917 225 H ARG 42 HN ARG 42 -12.003 7.165 0.770 226 HA ARG 42 HA ARG 42 -11.845 4.732 2.194 227 HB2 ARG 42 HB2 ARG 42 -13.299 7.299 2.832 228 HB3 ARG 42 HB1 ARG 42 -13.168 5.951 3.953 229 HG2 ARG 42 HG2 ARG 42 -10.733 6.160 3.917 230 HG3 ARG 42 HG1 ARG 42 -10.870 7.517 2.798 231 HD2 ARG 42 HD2 ARG 42 -10.544 8.320 5.064 232 HD3 ARG 42 HD1 ARG 42 -12.148 8.760 4.482 233 HE ARG 42 HE ARG 42 -12.241 6.302 5.885 234 HH11 ARG 42 HH11 ARG 42 -11.928 9.749 6.409 235 HH12 ARG 42 HH12 ARG 42 -12.617 9.696 8.000 236 HH21 ARG 42 HH21 ARG 42 -13.171 6.236 7.968 237 HH22 ARG 42 HH22 ARG 42 -13.330 7.700 8.884 238 H ARG 43 HN ARG 43 -14.301 5.985 0.124 239 HA ARG 43 HA ARG 43 -16.312 4.217 1.324 240 HB2 ARG 43 HB2 ARG 43 -16.598 6.524 -0.600 241 HB3 ARG 43 HB1 ARG 43 -17.932 5.485 -0.116 242 HG2 ARG 43 HG2 ARG 43 -17.453 6.122 2.256 243 HG3 ARG 43 HG1 ARG 43 -16.300 7.305 1.636 244 HD2 ARG 43 HD2 ARG 43 -19.216 7.221 0.878 245 HD3 ARG 43 HD1 ARG 43 -18.561 8.226 2.166 246 HE ARG 43 HE ARG 43 -17.060 8.959 0.065 247 HH11 ARG 43 HH11 ARG 43 -20.518 8.620 0.468 248 HH12 ARG 43 HH12 ARG 43 -20.903 9.882 -0.656 249 HH21 ARG 43 HH21 ARG 43 -17.566 10.643 -1.406 250 HH22 ARG 43 HH22 ARG 43 -19.229 11.044 -1.710 251 H THR 44 HN THR 44 -14.031 3.847 -0.918 252 HA THR 44 HA THR 44 -15.684 2.348 -2.820 253 HB THR 44 HB THR 44 -12.950 1.951 -3.391 254 HG1 THR 44 HG1 THR 44 -13.149 4.698 -3.343 255 HG21 THR 44 HG21 THR 44 -14.896 2.328 -4.973 256 HG22 THR 44 HG22 THR 44 -13.396 3.147 -5.399 257 HG23 THR 44 HG23 THR 44 -14.714 4.052 -4.652 258 HA PRO 45 HA PRO 45 -14.612 -1.638 -1.034 259 HB2 PRO 45 HB2 PRO 45 -13.899 -3.180 -3.146 260 HB3 PRO 45 HB1 PRO 45 -15.574 -2.702 -2.837 261 HG2 PRO 45 HG2 PRO 45 -13.580 -1.520 -4.731 262 HG3 PRO 45 HG1 PRO 45 -15.295 -1.888 -4.999 263 HD2 PRO 45 HD2 PRO 45 -14.407 0.606 -4.453 264 HD3 PRO 45 HD1 PRO 45 -16.000 0.032 -3.925 265 H THR 46 HN THR 46 -12.868 -3.053 -0.494 266 HA THR 46 HA THR 46 -10.391 -1.705 -0.259 267 HB THR 46 HB THR 46 -10.337 -4.593 0.222 268 HG1 THR 46 HG1 THR 46 -11.955 -4.626 1.738 269 HG21 THR 46 HG21 THR 46 -9.628 -3.826 2.459 270 HG22 THR 46 HG22 THR 46 -9.964 -2.165 1.980 271 HG23 THR 46 HG23 THR 46 -8.690 -3.075 1.170 272 H SER 47 HN SER 47 -11.530 -4.348 -2.290 273 HA SER 47 HA SER 47 -9.080 -5.291 -3.227 274 HB2 SER 47 HB2 SER 47 -11.671 -5.265 -4.785 275 HB3 SER 47 HB1 SER 47 -10.345 -6.422 -4.921 276 HG SER 47 HG SER 47 -11.163 -7.497 -3.317 277 H SER 48 HN SER 48 -11.074 -2.624 -4.353 278 HA SER 48 HA SER 48 -9.768 -2.132 -6.784 279 HB2 SER 48 HB2 SER 48 -11.267 -0.293 -4.911 280 HB3 SER 48 HB1 SER 48 -10.810 0.111 -6.556 281 HG SER 48 HG SER 48 -11.999 -2.035 -6.980 282 H LYS 49 HN LYS 49 -9.287 -0.883 -3.527 283 HA LYS 49 HA LYS 49 -7.316 1.031 -4.140 284 HB2 LYS 49 HB2 LYS 49 -7.523 -0.472 -1.543 285 HB3 LYS 49 HB1 LYS 49 -6.950 1.171 -1.794 286 HG2 LYS 49 HG2 LYS 49 -9.217 1.836 -2.436 287 HG3 LYS 49 HG1 LYS 49 -9.773 0.192 -2.120 288 HD2 LYS 49 HD2 LYS 49 -8.745 0.574 0.233 289 HD3 LYS 49 HD1 LYS 49 -8.844 2.286 -0.197 290 HE2 LYS 49 HE2 LYS 49 -11.042 0.294 0.163 291 HE3 LYS 49 HE1 LYS 49 -10.879 1.909 0.847 292 HZ1 LYS 49 HZ1 LYS 49 -12.554 1.744 -0.917 293 HZ2 LYS 49 HZ2 LYS 49 -11.332 1.371 -2.027 294 HZ3 LYS 49 HZ3 LYS 49 -11.345 2.878 -1.253 295 H VAL 50 HN VAL 50 -7.121 -2.332 -3.084 296 HA VAL 50 HA VAL 50 -4.317 -2.430 -2.779 297 HB VAL 50 HB VAL 50 -6.206 -4.698 -3.442 298 HG11 VAL 50 HG11 VAL 50 -3.406 -4.750 -2.322 299 HG12 VAL 50 HG12 VAL 50 -3.899 -5.295 -3.923 300 HG13 VAL 50 HG13 VAL 50 -4.468 -6.147 -2.486 301 HG21 VAL 50 HG21 VAL 50 -6.200 -5.140 -1.042 302 HG22 VAL 50 HG22 VAL 50 -6.814 -3.523 -1.387 303 HG23 VAL 50 HG23 VAL 50 -5.173 -3.731 -0.779 304 H HIS 51 HN HIS 51 -6.421 -3.244 -5.507 305 HA HIS 51 HA HIS 51 -4.366 -4.105 -7.248 306 HB2 HIS 51 HB2 HIS 51 -7.127 -3.008 -7.814 307 HB3 HIS 51 HB1 HIS 51 -6.060 -3.628 -9.066 308 HD1 HIS 51 HD1 HIS 51 -8.202 -5.294 -9.380 309 HD2 HIS 51 HD2 HIS 51 -5.880 -5.843 -5.975 310 HE1 HIS 51 HE1 HIS 51 -8.766 -7.592 -8.541 311 HE2 HIS 51 HE2 HIS 51 -7.214 -7.975 -6.591 312 H PHE 52 HN PHE 52 -5.806 -0.966 -6.591 313 HA PHE 52 HA PHE 52 -4.538 0.420 -8.715 314 HB2 PHE 52 HB2 PHE 52 -6.572 1.209 -7.478 315 HB3 PHE 52 HB1 PHE 52 -5.537 1.563 -6.100 316 HD1 PHE 52 HD1 PHE 52 -6.344 2.500 -9.563 317 HD2 PHE 52 HD2 PHE 52 -4.179 3.515 -6.043 318 HE1 PHE 52 HE1 PHE 52 -5.891 4.733 -10.488 319 HE2 PHE 52 HE2 PHE 52 -3.723 5.748 -6.964 320 HZ PHE 52 HZ PHE 52 -4.579 6.359 -9.189 321 H LEU 53 HN LEU 53 -3.729 -0.032 -5.288 322 HA LEU 53 HA LEU 53 -1.411 1.588 -5.317 323 HB2 LEU 53 HB2 LEU 53 -2.143 -0.715 -3.511 324 HB3 LEU 53 HB1 LEU 53 -0.803 0.380 -3.232 325 HG LEU 53 HG LEU 53 -3.736 1.095 -3.238 326 HD11 LEU 53 HD11 LEU 53 -3.081 -0.056 -1.231 327 HD12 LEU 53 HD12 LEU 53 -3.293 1.658 -0.873 328 HD13 LEU 53 HD13 LEU 53 -1.671 0.987 -1.049 329 HD21 LEU 53 HD21 LEU 53 -1.310 2.848 -2.876 330 HD22 LEU 53 HD22 LEU 53 -2.970 3.338 -2.547 331 HD23 LEU 53 HD23 LEU 53 -2.484 2.925 -4.190 332 H LYS 54 HN LYS 54 -1.911 -1.869 -5.871 333 HA LYS 54 HA LYS 54 0.771 -2.587 -6.242 334 HB2 LYS 54 HB2 LYS 54 -0.859 -4.324 -6.092 335 HB3 LYS 54 HB1 LYS 54 -1.795 -3.654 -7.419 336 HG2 LYS 54 HG2 LYS 54 -0.578 -5.695 -8.046 337 HG3 LYS 54 HG1 LYS 54 -0.105 -4.298 -9.009 338 HD2 LYS 54 HD2 LYS 54 1.871 -5.526 -8.433 339 HD3 LYS 54 HD1 LYS 54 1.871 -4.018 -7.522 340 HE2 LYS 54 HE2 LYS 54 1.022 -5.221 -5.558 341 HE3 LYS 54 HE1 LYS 54 1.060 -6.727 -6.477 342 HZ1 LYS 54 HZ1 LYS 54 3.026 -6.596 -5.165 343 HZ2 LYS 54 HZ2 LYS 54 3.378 -5.035 -5.721 344 HZ3 LYS 54 HZ3 LYS 54 3.480 -6.351 -6.775 345 H SER 55 HN SER 55 -1.620 -1.210 -8.433 346 HA SER 55 HA SER 55 -0.008 -1.272 -10.762 347 HB2 SER 55 HB2 SER 55 -2.510 -1.058 -10.736 348 HB3 SER 55 HB1 SER 55 -2.316 0.591 -10.149 349 HG SER 55 HG SER 55 -2.503 0.763 -12.325 350 H LYS 56 HN LYS 56 -0.103 0.764 -7.998 351 HA LYS 56 HA LYS 56 1.255 2.987 -9.219 352 HB2 LYS 56 HB2 LYS 56 0.640 2.271 -6.358 353 HB3 LYS 56 HB1 LYS 56 1.511 3.721 -6.818 354 HG2 LYS 56 HG2 LYS 56 -0.477 4.355 -8.208 355 HG3 LYS 56 HG1 LYS 56 -1.330 2.999 -7.467 356 HD2 LYS 56 HD2 LYS 56 -1.908 4.954 -6.235 357 HD3 LYS 56 HD1 LYS 56 -0.797 4.019 -5.233 358 HE2 LYS 56 HE2 LYS 56 -0.214 6.365 -5.139 359 HE3 LYS 56 HE1 LYS 56 1.053 5.468 -5.970 360 HZ1 LYS 56 HZ1 LYS 56 0.134 6.210 -8.086 361 HZ2 LYS 56 HZ2 LYS 56 0.541 7.530 -7.111 362 HZ3 LYS 56 HZ3 LYS 56 -1.077 7.073 -7.277 363 H GLY 57 HN GLY 57 2.183 -0.066 -8.246 364 HA2 GLY 57 HA2 GLY 57 4.416 -0.806 -8.659 365 HA3 GLY 57 HA1 GLY 57 4.992 0.793 -8.222 366 H LEU 58 HN LEU 58 2.616 -0.303 -6.088 367 HA LEU 58 HA LEU 58 4.590 -0.624 -4.007 368 HB2 LEU 58 HB2 LEU 58 1.625 -0.453 -4.089 369 HB3 LEU 58 HB1 LEU 58 2.376 -1.200 -2.697 370 HG LEU 58 HG LEU 58 3.785 0.996 -2.606 371 HD11 LEU 58 HD11 LEU 58 3.056 1.909 -4.733 372 HD12 LEU 58 HD12 LEU 58 2.565 2.957 -3.403 373 HD13 LEU 58 HD13 LEU 58 1.382 1.904 -4.177 374 HD21 LEU 58 HD21 LEU 58 0.873 0.940 -1.847 375 HD22 LEU 58 HD22 LEU 58 2.111 1.992 -1.159 376 HD23 LEU 58 HD23 LEU 58 2.202 0.247 -0.915 377 H SER 59 HN SER 59 5.038 -2.408 -2.834 378 HA SER 59 HA SER 59 4.405 -4.968 -4.020 379 HB2 SER 59 HB2 SER 59 5.963 -4.386 -1.495 380 HB3 SER 59 HB1 SER 59 6.046 -5.843 -2.491 381 HG SER 59 HG SER 59 7.090 -3.273 -2.954 382 H ALA 60 HN ALA 60 3.678 -6.782 -2.564 383 HA ALA 60 HA ALA 60 1.201 -6.230 -1.388 384 HB1 ALA 60 HB1 ALA 60 1.835 -8.450 -2.223 385 HB2 ALA 60 HB2 ALA 60 1.265 -8.528 -0.556 386 HB3 ALA 60 HB3 ALA 60 2.993 -8.618 -0.903 387 H GLU 61 HN GLU 61 4.410 -6.474 -0.031 388 HA GLU 61 HA GLU 61 3.779 -6.397 2.704 389 HB2 GLU 61 HB2 GLU 61 6.192 -5.262 1.281 390 HB3 GLU 61 HB1 GLU 61 6.085 -5.626 2.993 391 HG2 GLU 61 HG2 GLU 61 5.712 -7.731 0.899 392 HG3 GLU 61 HG1 GLU 61 7.303 -7.281 1.501 393 H GLU 62 HN GLU 62 4.544 -3.825 0.401 394 HA GLU 62 HA GLU 62 4.429 -1.682 2.220 395 HB2 GLU 62 HB2 GLU 62 4.021 -1.686 -0.772 396 HB3 GLU 62 HB1 GLU 62 4.359 -0.268 0.214 397 HG2 GLU 62 HG2 GLU 62 6.526 -1.132 0.796 398 HG3 GLU 62 HG1 GLU 62 6.188 -2.639 -0.054 399 H ILE 63 HN ILE 63 2.040 -2.992 -0.044 400 HA ILE 63 HA ILE 63 -0.016 -1.157 0.443 401 HB ILE 63 HB ILE 63 -0.290 -4.087 -0.256 402 HG12 ILE 63 HG12 ILE 63 -0.221 -1.687 -2.096 403 HG13 ILE 63 HG11 ILE 63 1.159 -2.737 -1.796 404 HG21 ILE 63 HG21 ILE 63 -2.447 -3.409 -1.232 405 HG22 ILE 63 HG22 ILE 63 -2.210 -1.787 -0.588 406 HG23 ILE 63 HG23 ILE 63 -2.387 -3.153 0.511 407 HD11 ILE 63 HD11 ILE 63 0.062 -3.300 -3.882 408 HD12 ILE 63 HD12 ILE 63 -1.457 -3.571 -3.026 409 HD13 ILE 63 HD13 ILE 63 -0.073 -4.624 -2.724 410 H CYS 64 HN CYS 64 0.833 -4.175 2.055 411 HA CYS 64 HA CYS 64 -1.306 -4.358 3.840 412 HB2 CYS 64 HB2 CYS 64 0.224 -6.209 3.497 413 HB3 CYS 64 HB1 CYS 64 1.569 -5.262 4.118 414 HG CYS 64 HG CYS 64 -1.077 -5.841 6.163 415 H GLU 65 HN GLU 65 1.822 -2.713 4.132 416 HA GLU 65 HA GLU 65 1.428 -1.888 6.801 417 HB2 GLU 65 HB2 GLU 65 3.655 -2.027 5.909 418 HB3 GLU 65 HB1 GLU 65 3.269 -0.869 4.641 419 HG2 GLU 65 HG2 GLU 65 3.133 0.898 6.143 420 HG3 GLU 65 HG1 GLU 65 3.080 -0.168 7.542 421 H ALA 66 HN ALA 66 0.977 -0.253 3.682 422 HA ALA 66 HA ALA 66 0.321 2.276 4.627 423 HB1 ALA 66 HB1 ALA 66 -0.781 0.895 2.181 424 HB2 ALA 66 HB2 ALA 66 0.735 1.791 2.262 425 HB3 ALA 66 HB3 ALA 66 -0.800 2.633 2.486 426 H PHE 67 HN PHE 67 -1.778 -0.512 3.990 427 HA PHE 67 HA PHE 67 -4.205 0.716 4.652 428 HB2 PHE 67 HB2 PHE 67 -3.234 -2.074 4.433 429 HB3 PHE 67 HB1 PHE 67 -4.700 -1.823 5.372 430 HD1 PHE 67 HD1 PHE 67 -6.705 -0.915 4.327 431 HD2 PHE 67 HD2 PHE 67 -3.217 -1.790 2.058 432 HE1 PHE 67 HE1 PHE 67 -8.034 -0.822 2.261 433 HE2 PHE 67 HE2 PHE 67 -4.541 -1.699 -0.015 434 HZ PHE 67 HZ PHE 67 -6.950 -1.217 0.088 435 H THR 68 HN THR 68 -1.879 -1.026 6.669 436 HA THR 68 HA THR 68 -3.449 -0.965 9.010 437 HB THR 68 HB THR 68 -0.437 -1.080 8.897 438 HG1 THR 68 HG1 THR 68 -1.161 -2.728 7.567 439 HG21 THR 68 HG21 THR 68 -0.688 -2.379 10.963 440 HG22 THR 68 HG22 THR 68 -2.438 -2.171 10.878 441 HG23 THR 68 HG23 THR 68 -1.394 -0.771 11.131 442 H LYS 69 HN LYS 69 -1.203 1.305 7.577 443 HA LYS 69 HA LYS 69 -0.977 2.985 9.864 444 HB2 LYS 69 HB2 LYS 69 -0.441 3.558 6.945 445 HB3 LYS 69 HB1 LYS 69 -0.016 4.633 8.275 446 HG2 LYS 69 HG2 LYS 69 1.100 2.246 9.043 447 HG3 LYS 69 HG1 LYS 69 1.335 2.251 7.297 448 HD2 LYS 69 HD2 LYS 69 2.104 4.524 9.122 449 HD3 LYS 69 HD1 LYS 69 3.216 3.271 8.569 450 HE2 LYS 69 HE2 LYS 69 2.765 3.936 6.250 451 HE3 LYS 69 HE1 LYS 69 1.695 5.203 6.842 452 HZ1 LYS 69 HZ1 LYS 69 3.565 6.232 7.954 453 HZ2 LYS 69 HZ2 LYS 69 3.884 6.067 6.303 454 HZ3 LYS 69 HZ3 LYS 69 4.604 5.012 7.410 455 H VAL 70 HN VAL 70 -3.232 2.822 7.185 456 HA VAL 70 HA VAL 70 -4.317 5.442 7.739 457 HB VAL 70 HB VAL 70 -5.889 5.053 5.976 458 HG11 VAL 70 HG11 VAL 70 -3.053 4.335 5.552 459 HG12 VAL 70 HG12 VAL 70 -3.995 5.679 4.902 460 HG13 VAL 70 HG13 VAL 70 -4.160 4.065 4.215 461 HG21 VAL 70 HG21 VAL 70 -6.541 2.757 6.491 462 HG22 VAL 70 HG22 VAL 70 -4.966 2.178 5.942 463 HG23 VAL 70 HG23 VAL 70 -6.084 2.920 4.796 464 H GLY 71 HN GLY 71 -4.597 2.539 9.264 465 HA2 GLY 71 HA2 GLY 71 -5.937 2.325 11.225 466 HA3 GLY 71 HA1 GLY 71 -7.128 3.387 10.489 467 H GLN 72 HN GLN 72 -5.831 0.966 8.458 468 HA GLN 72 HA GLN 72 -8.155 -0.772 8.947 469 HB2 GLN 72 HB2 GLN 72 -8.466 0.580 6.894 470 HB3 GLN 72 HB1 GLN 72 -6.949 -0.043 6.265 471 HG2 GLN 72 HG2 GLN 72 -8.714 -1.230 5.220 472 HG3 GLN 72 HG1 GLN 72 -7.933 -2.328 6.355 473 HE21 GLN 72 HE21 GLN 72 -10.764 -0.450 5.669 474 HE22 GLN 72 HE22 GLN 72 -11.799 -1.225 6.818 475 HA PRO 73 HA PRO 73 -4.289 -3.136 9.388 476 HB2 PRO 73 HB2 PRO 73 -5.213 -4.918 11.191 477 HB3 PRO 73 HB1 PRO 73 -4.658 -3.303 11.638 478 HG2 PRO 73 HG2 PRO 73 -7.440 -4.327 11.308 479 HG3 PRO 73 HG1 PRO 73 -6.800 -3.189 12.505 480 HD2 PRO 73 HD2 PRO 73 -8.212 -2.441 10.273 481 HD3 PRO 73 HD1 PRO 73 -7.040 -1.397 11.100 482 H LYS 74 HN LYS 74 -4.339 -3.997 7.349 483 HA LYS 74 HA LYS 74 -5.756 -6.552 7.033 484 HB2 LYS 74 HB2 LYS 74 -4.445 -4.759 4.976 485 HB3 LYS 74 HB1 LYS 74 -5.131 -6.336 4.618 486 HG2 LYS 74 HG2 LYS 74 -6.667 -3.977 5.687 487 HG3 LYS 74 HG1 LYS 74 -6.615 -4.487 3.998 488 HD2 LYS 74 HD2 LYS 74 -7.520 -6.707 4.742 489 HD3 LYS 74 HD1 LYS 74 -7.753 -6.002 6.343 490 HE2 LYS 74 HE2 LYS 74 -9.188 -4.270 5.337 491 HE3 LYS 74 HE1 LYS 74 -8.993 -5.046 3.769 492 HZ1 LYS 74 HZ1 LYS 74 -10.047 -7.026 4.657 493 HZ2 LYS 74 HZ2 LYS 74 -11.067 -5.690 4.819 494 HZ3 LYS 74 HZ3 LYS 74 -10.234 -6.284 6.164 495 H THR 75 HN THR 75 -4.579 -8.418 6.819 496 HA THR 75 HA THR 75 -1.780 -8.258 7.499 497 HB THR 75 HB THR 75 -1.873 -10.750 7.441 498 HG1 THR 75 HG1 THR 75 -4.168 -11.541 7.345 499 HG21 THR 75 HG21 THR 75 -2.338 -9.540 9.515 500 HG22 THR 75 HG22 THR 75 -3.324 -10.998 9.399 501 HG23 THR 75 HG23 THR 75 -4.041 -9.421 9.071 502 H LEU 76 HN LEU 76 -0.247 -9.724 6.266 503 HA LEU 76 HA LEU 76 0.012 -8.790 3.624 504 HB2 LEU 76 HB2 LEU 76 1.918 -9.469 4.986 505 HB3 LEU 76 HB1 LEU 76 1.321 -11.115 5.039 506 HG LEU 76 HG LEU 76 1.637 -11.257 2.572 507 HD11 LEU 76 HD11 LEU 76 1.510 -8.888 2.054 508 HD12 LEU 76 HD12 LEU 76 3.032 -9.573 1.481 509 HD13 LEU 76 HD13 LEU 76 3.002 -8.597 2.949 510 HD21 LEU 76 HD21 LEU 76 4.081 -10.576 4.201 511 HD22 LEU 76 HD22 LEU 76 4.076 -11.461 2.675 512 HD23 LEU 76 HD23 LEU 76 3.300 -12.154 4.099 513 H ASN 77 HN ASN 77 -1.328 -11.664 5.046 514 HA ASN 77 HA ASN 77 -1.633 -13.269 2.781 515 HB2 ASN 77 HB2 ASN 77 -1.975 -14.069 5.085 516 HB3 ASN 77 HB1 ASN 77 -3.412 -13.068 5.222 517 HD21 ASN 77 HD21 ASN 77 -5.305 -13.705 4.265 518 HD22 ASN 77 HD22 ASN 77 -5.518 -15.269 3.555 519 H GLU 78 HN GLU 78 -3.764 -10.846 4.209 520 HA GLU 78 HA GLU 78 -5.949 -11.228 2.485 521 HB2 GLU 78 HB2 GLU 78 -5.103 -8.660 3.841 522 HB3 GLU 78 HB1 GLU 78 -6.692 -8.996 3.171 523 HG2 GLU 78 HG2 GLU 78 -5.395 -10.282 5.543 524 HG3 GLU 78 HG1 GLU 78 -6.818 -9.246 5.527 525 H ILE 79 HN ILE 79 -3.194 -9.022 2.315 526 HA ILE 79 HA ILE 79 -3.993 -7.639 0.015 527 HB ILE 79 HB ILE 79 -1.163 -8.195 0.913 528 HG12 ILE 79 HG12 ILE 79 -2.412 -7.208 2.739 529 HG13 ILE 79 HG11 ILE 79 -1.349 -5.985 2.051 530 HG21 ILE 79 HG21 ILE 79 -2.282 -5.986 -0.808 531 HG22 ILE 79 HG22 ILE 79 -1.298 -7.339 -1.368 532 HG23 ILE 79 HG23 ILE 79 -0.608 -6.137 -0.277 533 HD11 ILE 79 HD11 ILE 79 -4.311 -6.249 1.583 534 HD12 ILE 79 HD12 ILE 79 -3.264 -5.057 0.815 535 HD13 ILE 79 HD13 ILE 79 -3.500 -5.028 2.563 536 H LYS 80 HN LYS 80 -1.925 -10.513 0.371 537 HA LYS 80 HA LYS 80 -1.386 -10.860 -2.380 538 HB2 LYS 80 HB2 LYS 80 -1.448 -12.889 -0.139 539 HB3 LYS 80 HB1 LYS 80 -0.808 -13.199 -1.748 540 HG2 LYS 80 HG2 LYS 80 0.800 -11.342 -1.385 541 HG3 LYS 80 HG1 LYS 80 0.234 -11.246 0.281 542 HD2 LYS 80 HD2 LYS 80 0.980 -13.467 0.739 543 HD3 LYS 80 HD1 LYS 80 1.344 -13.752 -0.963 544 HE2 LYS 80 HE2 LYS 80 2.695 -11.621 0.675 545 HE3 LYS 80 HE1 LYS 80 3.324 -13.257 0.528 546 HZ1 LYS 80 HZ1 LYS 80 4.365 -11.768 -1.055 547 HZ2 LYS 80 HZ2 LYS 80 2.862 -11.378 -1.725 548 HZ3 LYS 80 HZ3 LYS 80 3.467 -12.949 -1.865 549 H ARG 81 HN ARG 81 -3.930 -12.093 -0.292 550 HA ARG 81 HA ARG 81 -5.168 -13.782 -2.181 551 HB2 ARG 81 HB2 ARG 81 -5.655 -13.917 0.212 552 HB3 ARG 81 HB1 ARG 81 -6.375 -12.313 0.170 553 HG2 ARG 81 HG2 ARG 81 -8.129 -13.929 0.180 554 HG3 ARG 81 HG1 ARG 81 -8.078 -13.177 -1.413 555 HD2 ARG 81 HD2 ARG 81 -6.832 -15.091 -2.282 556 HD3 ARG 81 HD1 ARG 81 -6.874 -15.846 -0.689 557 HE ARG 81 HE ARG 81 -9.500 -15.289 -1.446 558 HH11 ARG 81 HH11 ARG 81 -6.847 -17.337 -2.450 559 HH12 ARG 81 HH12 ARG 81 -7.880 -18.581 -3.083 560 HH21 ARG 81 HH21 ARG 81 -10.863 -16.921 -2.296 561 HH22 ARG 81 HH22 ARG 81 -10.159 -18.334 -3.017 562 H ILE 82 HN ILE 82 -5.703 -10.400 -1.328 563 HA ILE 82 HA ILE 82 -7.886 -9.977 -3.072 564 HB ILE 82 HB ILE 82 -5.917 -8.026 -1.860 565 HG12 ILE 82 HG12 ILE 82 -8.795 -8.505 -1.093 566 HG13 ILE 82 HG11 ILE 82 -7.483 -9.449 -0.396 567 HG21 ILE 82 HG21 ILE 82 -7.541 -6.277 -2.397 568 HG22 ILE 82 HG22 ILE 82 -8.533 -7.458 -3.253 569 HG23 ILE 82 HG23 ILE 82 -6.925 -7.052 -3.857 570 HD11 ILE 82 HD11 ILE 82 -7.828 -6.465 -0.196 571 HD12 ILE 82 HD12 ILE 82 -6.482 -7.388 0.476 572 HD13 ILE 82 HD13 ILE 82 -8.118 -7.646 1.082 573 H LEU 83 HN LEU 83 -4.410 -9.825 -3.490 574 HA LEU 83 HA LEU 83 -4.557 -8.670 -6.128 575 HB2 LEU 83 HB2 LEU 83 -2.304 -9.889 -4.545 576 HB3 LEU 83 HB1 LEU 83 -2.100 -9.302 -6.183 577 HG LEU 83 HG LEU 83 -3.018 -7.590 -3.873 578 HD11 LEU 83 HD11 LEU 83 -0.296 -7.841 -5.143 579 HD12 LEU 83 HD12 LEU 83 -0.736 -8.336 -3.509 580 HD13 LEU 83 HD13 LEU 83 -0.765 -6.629 -3.952 581 HD21 LEU 83 HD21 LEU 83 -2.169 -6.929 -6.690 582 HD22 LEU 83 HD22 LEU 83 -2.472 -5.745 -5.421 583 HD23 LEU 83 HD23 LEU 83 -3.786 -6.763 -6.008 584 H SER 84 HN SER 84 -5.154 -11.719 -4.920 585 HA SER 84 HA SER 84 -4.169 -13.211 -7.176 586 HB2 SER 84 HB2 SER 84 -4.431 -14.177 -4.862 587 HB3 SER 84 HB1 SER 84 -6.177 -14.094 -5.089 588 HG SER 84 HG SER 84 -5.179 -15.305 -7.216 Start of MODEL 4 1 H1 LYS 15 HT1 LYS 15 19.064 -12.236 -3.058 2 H2 LYS 15 HT2 LYS 15 18.133 -12.652 -4.406 3 H3 LYS 15 HT3 LYS 15 17.415 -11.873 -3.089 4 HA LYS 15 HA LYS 15 19.492 -10.709 -4.840 5 HB2 LYS 15 HB2 LYS 15 16.524 -10.169 -4.646 6 HB3 LYS 15 HB1 LYS 15 17.654 -9.184 -5.557 7 HG2 LYS 15 HG2 LYS 15 18.170 -11.102 -6.984 8 HG3 LYS 15 HG1 LYS 15 17.013 -12.077 -6.077 9 HD2 LYS 15 HD2 LYS 15 15.204 -10.601 -6.748 10 HD3 LYS 15 HD1 LYS 15 16.346 -9.555 -7.591 11 HE2 LYS 15 HE2 LYS 15 15.805 -12.444 -8.264 12 HE3 LYS 15 HE1 LYS 15 15.123 -11.060 -9.115 13 HZ1 LYS 15 HZ1 LYS 15 17.343 -10.388 -9.752 14 HZ2 LYS 15 HZ2 LYS 15 17.048 -11.973 -10.260 15 HZ3 LYS 15 HZ3 LYS 15 18.018 -11.685 -8.905 16 HA PRO 16 HA PRO 16 20.075 -7.855 -1.505 17 HB2 PRO 16 HB2 PRO 16 21.066 -5.742 -2.854 18 HB3 PRO 16 HB1 PRO 16 21.993 -7.230 -2.631 19 HG2 PRO 16 HG2 PRO 16 20.407 -6.326 -5.005 20 HG3 PRO 16 HG1 PRO 16 22.027 -7.049 -4.954 21 HD2 PRO 16 HD2 PRO 16 19.802 -8.484 -5.545 22 HD3 PRO 16 HD1 PRO 16 21.198 -9.188 -4.709 23 H GLU 17 HN GLU 17 19.381 -5.738 -0.735 24 HA GLU 17 HA GLU 17 16.669 -5.199 -1.651 25 HB2 GLU 17 HB2 GLU 17 16.424 -3.963 0.473 26 HB3 GLU 17 HB1 GLU 17 16.949 -5.619 0.725 27 HG2 GLU 17 HG2 GLU 17 18.836 -3.277 0.698 28 HG3 GLU 17 HG1 GLU 17 18.056 -3.879 2.158 29 H VAL 18 HN VAL 18 19.180 -4.241 -2.983 30 HA VAL 18 HA VAL 18 19.179 -1.382 -2.608 31 HB VAL 18 HB VAL 18 20.573 -2.982 -4.764 32 HG11 VAL 18 HG11 VAL 18 22.086 -1.068 -4.890 33 HG12 VAL 18 HG12 VAL 18 21.142 -0.233 -3.657 34 HG13 VAL 18 HG13 VAL 18 20.424 -0.583 -5.229 35 HG21 VAL 18 HG21 VAL 18 21.604 -2.140 -2.058 36 HG22 VAL 18 HG22 VAL 18 22.541 -2.940 -3.320 37 HG23 VAL 18 HG23 VAL 18 21.203 -3.786 -2.543 38 H GLU 19 HN GLU 19 17.497 -3.642 -4.566 39 HA GLU 19 HA GLU 19 16.889 -1.860 -6.722 40 HB2 GLU 19 HB2 GLU 19 15.626 -4.446 -5.828 41 HB3 GLU 19 HB1 GLU 19 15.102 -3.555 -7.248 42 HG2 GLU 19 HG2 GLU 19 17.335 -3.805 -8.216 43 HG3 GLU 19 HG1 GLU 19 17.836 -4.725 -6.798 44 H HIS 20 HN HIS 20 15.335 -2.790 -3.714 45 HA HIS 20 HA HIS 20 13.416 -0.590 -4.115 46 HB2 HIS 20 HB2 HIS 20 12.961 -3.165 -2.583 47 HB3 HIS 20 HB1 HIS 20 11.815 -1.836 -2.709 48 HD1 HIS 20 HD1 HIS 20 13.216 -4.723 -4.622 49 HD2 HIS 20 HD2 HIS 20 10.425 -1.688 -5.140 50 HE1 HIS 20 HE1 HIS 20 11.914 -5.347 -6.684 51 HE2 HIS 20 HE2 HIS 20 10.147 -3.562 -6.899 52 H THR 21 HN THR 21 14.749 0.897 -3.079 53 HA THR 21 HA THR 21 16.042 0.330 -0.605 54 HB THR 21 HB THR 21 16.567 2.760 -0.577 55 HG1 THR 21 HG1 THR 21 15.511 3.076 -3.144 56 HG21 THR 21 HG21 THR 21 17.034 1.395 -3.230 57 HG22 THR 21 HG22 THR 21 18.012 1.188 -1.779 58 HG23 THR 21 HG23 THR 21 17.960 2.753 -2.591 59 H HIS 22 HN HIS 22 15.724 1.907 1.305 60 HA HIS 22 HA HIS 22 13.123 1.484 2.332 61 HB2 HIS 22 HB2 HIS 22 15.440 3.120 3.312 62 HB3 HIS 22 HB1 HIS 22 13.899 3.124 4.153 63 HD1 HIS 22 HD1 HIS 22 13.237 0.997 5.445 64 HD2 HIS 22 HD2 HIS 22 16.936 0.748 3.567 65 HE1 HIS 22 HE1 HIS 22 14.340 -1.049 6.397 66 HE2 HIS 22 HE2 HIS 22 16.618 -1.117 5.329 67 H SER 23 HN SER 23 14.724 4.368 1.032 68 HA SER 23 HA SER 23 12.605 6.153 1.574 69 HB2 SER 23 HB2 SER 23 14.908 6.880 1.008 70 HB3 SER 23 HB1 SER 23 14.672 6.298 -0.639 71 HG SER 23 HG SER 23 13.880 8.630 0.508 72 H GLU 24 HN GLU 24 13.312 4.026 -1.145 73 HA GLU 24 HA GLU 24 11.321 5.009 -2.887 74 HB2 GLU 24 HB2 GLU 24 13.231 3.556 -3.568 75 HB3 GLU 24 HB1 GLU 24 12.446 2.208 -2.756 76 HG2 GLU 24 HG2 GLU 24 10.472 2.598 -4.262 77 HG3 GLU 24 HG1 GLU 24 11.490 3.716 -5.167 78 H ARG 25 HN ARG 25 11.327 2.262 -0.613 79 HA ARG 25 HA ARG 25 8.614 1.597 -1.131 80 HB2 ARG 25 HB2 ARG 25 8.759 0.109 0.769 81 HB3 ARG 25 HB1 ARG 25 10.221 -0.025 -0.194 82 HG2 ARG 25 HG2 ARG 25 11.363 1.458 1.422 83 HG3 ARG 25 HG1 ARG 25 9.905 1.442 2.413 84 HD2 ARG 25 HD2 ARG 25 11.403 -0.183 3.304 85 HD3 ARG 25 HD1 ARG 25 10.090 -1.044 2.503 86 HE ARG 25 HE ARG 25 12.272 -0.668 0.730 87 HH11 ARG 25 HH11 ARG 25 11.221 -2.593 3.457 88 HH12 ARG 25 HH12 ARG 25 12.250 -3.935 3.071 89 HH21 ARG 25 HH21 ARG 25 13.624 -2.438 0.206 90 HH22 ARG 25 HH22 ARG 25 13.605 -3.853 1.217 91 H GLU 26 HN GLU 26 10.224 3.642 1.264 92 HA GLU 26 HA GLU 26 8.032 4.122 2.932 93 HB2 GLU 26 HB2 GLU 26 10.280 4.734 3.588 94 HB3 GLU 26 HB1 GLU 26 10.395 5.885 2.263 95 HG2 GLU 26 HG2 GLU 26 8.592 7.196 3.277 96 HG3 GLU 26 HG1 GLU 26 8.544 6.066 4.626 97 H LYS 27 HN LYS 27 9.114 5.850 0.023 98 HA LYS 27 HA LYS 27 7.201 7.920 0.240 99 HB2 LYS 27 HB2 LYS 27 7.799 8.512 -2.037 100 HB3 LYS 27 HB1 LYS 27 9.242 8.145 -1.110 101 HG2 LYS 27 HG2 LYS 27 9.227 5.872 -2.138 102 HG3 LYS 27 HG1 LYS 27 7.912 6.421 -3.179 103 HD2 LYS 27 HD2 LYS 27 10.656 7.666 -3.017 104 HD3 LYS 27 HD1 LYS 27 10.104 6.576 -4.288 105 HE2 LYS 27 HE2 LYS 27 8.345 8.193 -4.875 106 HE3 LYS 27 HE1 LYS 27 8.953 9.287 -3.635 107 HZ1 LYS 27 HZ1 LYS 27 9.774 9.867 -5.835 108 HZ2 LYS 27 HZ2 LYS 27 10.487 8.343 -5.995 109 HZ3 LYS 27 HZ3 LYS 27 11.047 9.418 -4.817 110 H ARG 28 HN ARG 28 7.148 4.779 -1.371 111 HA ARG 28 HA ARG 28 4.677 5.206 -2.691 112 HB2 ARG 28 HB2 ARG 28 6.156 2.698 -1.938 113 HB3 ARG 28 HB1 ARG 28 4.599 2.667 -2.747 114 HG2 ARG 28 HG2 ARG 28 5.631 4.096 -4.542 115 HG3 ARG 28 HG1 ARG 28 7.188 3.764 -3.778 116 HD2 ARG 28 HD2 ARG 28 5.264 1.679 -4.799 117 HD3 ARG 28 HD1 ARG 28 6.703 2.233 -5.647 118 HE ARG 28 HE ARG 28 6.648 0.635 -3.172 119 HH11 ARG 28 HH11 ARG 28 8.363 1.946 -5.925 120 HH12 ARG 28 HH12 ARG 28 9.815 1.042 -5.614 121 HH21 ARG 28 HH21 ARG 28 8.561 -0.552 -2.752 122 HH22 ARG 28 HH22 ARG 28 9.930 -0.351 -3.816 123 H VAL 29 HN VAL 29 5.518 3.676 0.405 124 HA VAL 29 HA VAL 29 2.904 2.976 1.150 125 HB VAL 29 HB VAL 29 5.239 3.726 2.924 126 HG11 VAL 29 HG11 VAL 29 3.117 3.938 4.127 127 HG12 VAL 29 HG12 VAL 29 4.052 2.563 4.716 128 HG13 VAL 29 HG13 VAL 29 2.677 2.301 3.643 129 HG21 VAL 29 HG21 VAL 29 5.530 1.314 3.172 130 HG22 VAL 29 HG22 VAL 29 5.668 1.801 1.483 131 HG23 VAL 29 HG23 VAL 29 4.190 1.032 2.060 132 H SER 30 HN SER 30 4.747 5.971 1.628 133 HA SER 30 HA SER 30 2.839 7.347 3.156 134 HB2 SER 30 HB2 SER 30 5.203 8.079 2.790 135 HB3 SER 30 HB1 SER 30 4.764 8.544 1.148 136 HG SER 30 HG SER 30 3.944 9.676 3.600 137 H ASN 31 HN ASN 31 3.319 7.200 -0.357 138 HA ASN 31 HA ASN 31 1.176 8.877 -1.073 139 HB2 ASN 31 HB2 ASN 31 2.764 6.791 -2.504 140 HB3 ASN 31 HB1 ASN 31 1.285 7.386 -3.248 141 HD21 ASN 31 HD21 ASN 31 4.522 8.169 -2.269 142 HD22 ASN 31 HD22 ASN 31 4.627 9.677 -3.120 143 H ALA 32 HN ALA 32 1.339 5.461 -0.347 144 HA ALA 32 HA ALA 32 -1.299 4.832 -1.210 145 HB1 ALA 32 HB1 ALA 32 0.395 3.116 -1.028 146 HB2 ALA 32 HB2 ALA 32 -0.965 2.739 0.030 147 HB3 ALA 32 HB3 ALA 32 0.525 3.396 0.708 148 H VAL 33 HN VAL 33 0.135 5.587 1.943 149 HA VAL 33 HA VAL 33 -2.177 5.195 3.487 150 HB VAL 33 HB VAL 33 0.174 7.038 3.978 151 HG11 VAL 33 HG11 VAL 33 -1.997 6.149 5.874 152 HG12 VAL 33 HG12 VAL 33 -1.670 7.797 5.337 153 HG13 VAL 33 HG13 VAL 33 -0.504 6.953 6.359 154 HG21 VAL 33 HG21 VAL 33 -0.446 4.277 5.016 155 HG22 VAL 33 HG22 VAL 33 0.956 5.254 5.447 156 HG23 VAL 33 HG23 VAL 33 0.760 4.677 3.794 157 H GLU 34 HN GLU 34 -0.939 8.081 1.835 158 HA GLU 34 HA GLU 34 -2.990 9.802 2.774 159 HB2 GLU 34 HB2 GLU 34 -2.152 11.412 1.218 160 HB3 GLU 34 HB1 GLU 34 -0.774 10.543 1.876 161 HG2 GLU 34 HG2 GLU 34 -0.567 9.248 -0.128 162 HG3 GLU 34 HG1 GLU 34 -2.033 9.970 -0.789 163 H PHE 35 HN PHE 35 -2.686 7.702 -0.031 164 HA PHE 35 HA PHE 35 -5.001 8.669 -1.388 165 HB2 PHE 35 HB2 PHE 35 -3.317 7.529 -2.657 166 HB3 PHE 35 HB1 PHE 35 -3.406 6.112 -1.624 167 HD1 PHE 35 HD1 PHE 35 -4.867 4.362 -2.112 168 HD2 PHE 35 HD2 PHE 35 -5.306 8.088 -4.118 169 HE1 PHE 35 HE1 PHE 35 -6.484 3.336 -3.651 170 HE2 PHE 35 HE2 PHE 35 -6.931 7.070 -5.659 171 HZ PHE 35 HZ PHE 35 -7.521 4.691 -5.428 172 H LEU 36 HN LEU 36 -4.362 5.957 0.785 173 HA LEU 36 HA LEU 36 -6.925 4.796 0.630 174 HB2 LEU 36 HB2 LEU 36 -4.786 4.679 2.728 175 HB3 LEU 36 HB1 LEU 36 -6.246 3.712 2.801 176 HG LEU 36 HG LEU 36 -4.155 3.583 0.625 177 HD11 LEU 36 HD11 LEU 36 -4.805 1.666 2.858 178 HD12 LEU 36 HD12 LEU 36 -3.355 2.664 2.729 179 HD13 LEU 36 HD13 LEU 36 -3.649 1.379 1.557 180 HD21 LEU 36 HD21 LEU 36 -5.407 1.586 -0.107 181 HD22 LEU 36 HD22 LEU 36 -6.337 3.074 -0.266 182 HD23 LEU 36 HD23 LEU 36 -6.662 1.969 1.069 183 H LEU 37 HN LEU 37 -5.648 7.421 2.525 184 HA LEU 37 HA LEU 37 -7.918 7.449 4.314 185 HB2 LEU 37 HB2 LEU 37 -5.374 8.969 4.089 186 HB3 LEU 37 HB1 LEU 37 -6.709 9.724 4.939 187 HG LEU 37 HG LEU 37 -5.448 7.071 5.628 188 HD11 LEU 37 HD11 LEU 37 -4.691 8.218 7.644 189 HD12 LEU 37 HD12 LEU 37 -5.383 9.728 7.052 190 HD13 LEU 37 HD13 LEU 37 -4.035 8.978 6.195 191 HD21 LEU 37 HD21 LEU 37 -6.914 7.310 7.669 192 HD22 LEU 37 HD22 LEU 37 -7.746 6.924 6.163 193 HD23 LEU 37 HD23 LEU 37 -7.780 8.571 6.788 194 H ASP 38 HN ASP 38 -7.748 8.263 1.225 195 HA ASP 38 HA ASP 38 -8.980 10.859 1.345 196 HB2 ASP 38 HB2 ASP 38 -7.650 10.122 -0.636 197 HB3 ASP 38 HB1 ASP 38 -8.878 8.910 -0.974 198 H SER 39 HN SER 39 -11.138 11.337 1.225 199 HA SER 39 HA SER 39 -12.942 9.559 2.368 200 HB2 SER 39 HB2 SER 39 -13.585 11.974 0.669 201 HB3 SER 39 HB1 SER 39 -14.645 11.218 1.860 202 HG SER 39 HG SER 39 -12.811 11.672 3.371 203 H ARG 40 HN ARG 40 -12.379 10.301 -1.046 204 HA ARG 40 HA ARG 40 -14.639 8.872 -2.029 205 HB2 ARG 40 HB2 ARG 40 -12.063 9.741 -3.341 206 HB3 ARG 40 HB1 ARG 40 -13.378 8.964 -4.213 207 HG2 ARG 40 HG2 ARG 40 -14.834 10.789 -3.822 208 HG3 ARG 40 HG1 ARG 40 -13.730 11.502 -2.646 209 HD2 ARG 40 HD2 ARG 40 -13.680 12.647 -4.836 210 HD3 ARG 40 HD1 ARG 40 -12.120 11.972 -4.373 211 HE ARG 40 HE ARG 40 -13.606 10.159 -5.990 212 HH11 ARG 40 HH11 ARG 40 -11.646 13.052 -6.124 213 HH12 ARG 40 HH12 ARG 40 -11.104 12.768 -7.745 214 HH21 ARG 40 HH21 ARG 40 -12.879 9.763 -8.120 215 HH22 ARG 40 HH22 ARG 40 -11.800 10.887 -8.883 216 H VAL 41 HN VAL 41 -11.304 8.054 -1.358 217 HA VAL 41 HA VAL 41 -11.424 5.449 -2.541 218 HB VAL 41 HB VAL 41 -9.424 6.622 -0.601 219 HG11 VAL 41 HG11 VAL 41 -9.346 4.188 -0.577 220 HG12 VAL 41 HG12 VAL 41 -7.924 4.840 -1.392 221 HG13 VAL 41 HG13 VAL 41 -9.247 4.158 -2.338 222 HG21 VAL 41 HG21 VAL 41 -9.584 7.869 -2.689 223 HG22 VAL 41 HG22 VAL 41 -9.357 6.379 -3.606 224 HG23 VAL 41 HG23 VAL 41 -8.055 6.996 -2.589 225 H ARG 42 HN ARG 42 -11.834 6.768 0.697 226 HA ARG 42 HA ARG 42 -12.083 4.315 2.066 227 HB2 ARG 42 HB2 ARG 42 -13.366 6.990 2.656 228 HB3 ARG 42 HB1 ARG 42 -13.348 5.624 3.762 229 HG2 ARG 42 HG2 ARG 42 -10.920 5.710 3.858 230 HG3 ARG 42 HG1 ARG 42 -10.911 7.049 2.711 231 HD2 ARG 42 HD2 ARG 42 -10.642 7.917 4.937 232 HD3 ARG 42 HD1 ARG 42 -12.228 8.382 4.325 233 HE ARG 42 HE ARG 42 -12.441 5.978 5.782 234 HH11 ARG 42 HH11 ARG 42 -11.915 9.406 6.260 235 HH12 ARG 42 HH12 ARG 42 -12.561 9.405 7.871 236 HH21 ARG 42 HH21 ARG 42 -13.301 5.976 7.893 237 HH22 ARG 42 HH22 ARG 42 -13.360 7.458 8.797 238 H ARG 43 HN ARG 43 -14.134 5.920 -0.151 239 HA ARG 43 HA ARG 43 -16.522 4.490 0.657 240 HB2 ARG 43 HB2 ARG 43 -15.950 6.471 -1.536 241 HB3 ARG 43 HB1 ARG 43 -17.502 5.661 -1.367 242 HG2 ARG 43 HG2 ARG 43 -17.835 6.652 0.805 243 HG3 ARG 43 HG1 ARG 43 -16.222 7.368 0.758 244 HD2 ARG 43 HD2 ARG 43 -18.042 8.962 0.201 245 HD3 ARG 43 HD1 ARG 43 -16.836 8.785 -1.073 246 HE ARG 43 HE ARG 43 -19.056 7.024 -1.443 247 HH11 ARG 43 HH11 ARG 43 -18.023 10.347 -1.830 248 HH12 ARG 43 HH12 ARG 43 -19.083 10.655 -3.171 249 HH21 ARG 43 HH21 ARG 43 -20.441 7.420 -3.222 250 HH22 ARG 43 HH22 ARG 43 -20.449 8.991 -3.964 251 H THR 44 HN THR 44 -13.896 3.994 -1.518 252 HA THR 44 HA THR 44 -15.381 2.193 -3.229 253 HB THR 44 HB THR 44 -13.054 1.682 -4.146 254 HG1 THR 44 HG1 THR 44 -12.297 3.041 -2.031 255 HG21 THR 44 HG21 THR 44 -14.628 3.201 -5.253 256 HG22 THR 44 HG22 THR 44 -12.962 3.746 -5.438 257 HG23 THR 44 HG23 THR 44 -14.024 4.536 -4.271 258 HA PRO 45 HA PRO 45 -14.583 -1.598 -1.037 259 HB2 PRO 45 HB2 PRO 45 -13.884 -3.294 -3.066 260 HB3 PRO 45 HB1 PRO 45 -15.547 -2.807 -2.729 261 HG2 PRO 45 HG2 PRO 45 -13.632 -1.724 -4.760 262 HG3 PRO 45 HG1 PRO 45 -15.354 -2.116 -4.943 263 HD2 PRO 45 HD2 PRO 45 -14.522 0.411 -4.603 264 HD3 PRO 45 HD1 PRO 45 -16.038 -0.169 -3.883 265 H THR 46 HN THR 46 -12.898 -3.082 -0.424 266 HA THR 46 HA THR 46 -10.420 -1.814 -0.094 267 HB THR 46 HB THR 46 -10.599 -4.774 0.165 268 HG1 THR 46 HG1 THR 46 -12.486 -4.488 1.143 269 HG21 THR 46 HG21 THR 46 -9.415 -4.349 2.246 270 HG22 THR 46 HG22 THR 46 -9.614 -2.611 2.028 271 HG23 THR 46 HG23 THR 46 -8.602 -3.529 0.912 272 H SER 47 HN SER 47 -11.473 -4.327 -2.347 273 HA SER 47 HA SER 47 -8.961 -5.137 -3.266 274 HB2 SER 47 HB2 SER 47 -11.228 -6.230 -3.695 275 HB3 SER 47 HB1 SER 47 -11.435 -5.052 -4.986 276 HG SER 47 HG SER 47 -10.288 -7.327 -5.220 277 H SER 48 HN SER 48 -11.113 -2.572 -4.427 278 HA SER 48 HA SER 48 -9.651 -1.813 -6.670 279 HB2 SER 48 HB2 SER 48 -11.411 -0.191 -4.827 280 HB3 SER 48 HB1 SER 48 -10.871 0.323 -6.416 281 HG SER 48 HG SER 48 -12.819 -0.590 -6.784 282 H LYS 49 HN LYS 49 -9.489 -0.733 -3.315 283 HA LYS 49 HA LYS 49 -7.550 1.268 -3.594 284 HB2 LYS 49 HB2 LYS 49 -7.852 -0.591 -1.238 285 HB3 LYS 49 HB1 LYS 49 -7.193 1.037 -1.222 286 HG2 LYS 49 HG2 LYS 49 -9.372 1.957 -1.697 287 HG3 LYS 49 HG1 LYS 49 -10.055 0.333 -1.830 288 HD2 LYS 49 HD2 LYS 49 -9.246 -0.037 0.553 289 HD3 LYS 49 HD1 LYS 49 -8.971 1.705 0.620 290 HE2 LYS 49 HE2 LYS 49 -11.322 2.095 0.082 291 HE3 LYS 49 HE1 LYS 49 -11.592 0.354 0.003 292 HZ1 LYS 49 HZ1 LYS 49 -10.999 0.203 2.346 293 HZ2 LYS 49 HZ2 LYS 49 -12.303 1.248 2.120 294 HZ3 LYS 49 HZ3 LYS 49 -10.763 1.873 2.415 295 H VAL 50 HN VAL 50 -7.257 -2.181 -2.864 296 HA VAL 50 HA VAL 50 -4.437 -2.178 -2.538 297 HB VAL 50 HB VAL 50 -6.236 -4.499 -3.272 298 HG11 VAL 50 HG11 VAL 50 -3.876 -4.956 -3.705 299 HG12 VAL 50 HG12 VAL 50 -4.474 -5.908 -2.346 300 HG13 VAL 50 HG13 VAL 50 -3.477 -4.483 -2.056 301 HG21 VAL 50 HG21 VAL 50 -5.297 -3.554 -0.567 302 HG22 VAL 50 HG22 VAL 50 -6.252 -5.002 -0.883 303 HG23 VAL 50 HG23 VAL 50 -6.935 -3.407 -1.202 304 H HIS 51 HN HIS 51 -6.534 -2.948 -5.280 305 HA HIS 51 HA HIS 51 -4.501 -3.833 -7.023 306 HB2 HIS 51 HB2 HIS 51 -7.256 -2.716 -7.553 307 HB3 HIS 51 HB1 HIS 51 -6.200 -3.288 -8.838 308 HD1 HIS 51 HD1 HIS 51 -8.098 -5.072 -9.336 309 HD2 HIS 51 HD2 HIS 51 -6.187 -5.486 -5.670 310 HE1 HIS 51 HE1 HIS 51 -8.689 -7.370 -8.514 311 HE2 HIS 51 HE2 HIS 51 -7.590 -7.570 -6.261 312 H PHE 52 HN PHE 52 -5.835 -0.641 -6.371 313 HA PHE 52 HA PHE 52 -4.582 0.689 -8.536 314 HB2 PHE 52 HB2 PHE 52 -6.506 1.607 -7.244 315 HB3 PHE 52 HB1 PHE 52 -5.433 1.849 -5.872 316 HD1 PHE 52 HD1 PHE 52 -3.953 3.707 -5.777 317 HD2 PHE 52 HD2 PHE 52 -6.201 2.933 -9.307 318 HE1 PHE 52 HE1 PHE 52 -3.359 5.931 -6.640 319 HE2 PHE 52 HE2 PHE 52 -5.607 5.159 -10.176 320 HZ PHE 52 HZ PHE 52 -4.186 6.660 -8.840 321 H LEU 53 HN LEU 53 -3.667 0.184 -5.158 322 HA LEU 53 HA LEU 53 -1.306 1.739 -5.259 323 HB2 LEU 53 HB2 LEU 53 -2.031 -0.553 -3.430 324 HB3 LEU 53 HB1 LEU 53 -0.717 0.576 -3.168 325 HG LEU 53 HG LEU 53 -3.652 1.272 -3.221 326 HD11 LEU 53 HD11 LEU 53 -3.080 0.050 -1.226 327 HD12 LEU 53 HD12 LEU 53 -3.304 1.753 -0.825 328 HD13 LEU 53 HD13 LEU 53 -1.678 1.083 -0.954 329 HD21 LEU 53 HD21 LEU 53 -2.894 3.486 -2.444 330 HD22 LEU 53 HD22 LEU 53 -2.332 3.107 -4.071 331 HD23 LEU 53 HD23 LEU 53 -1.225 2.983 -2.704 332 H LYS 54 HN LYS 54 -1.908 -1.735 -5.723 333 HA LYS 54 HA LYS 54 0.759 -2.490 -6.111 334 HB2 LYS 54 HB2 LYS 54 -1.097 -4.082 -5.754 335 HB3 LYS 54 HB1 LYS 54 -1.739 -3.672 -7.339 336 HG2 LYS 54 HG2 LYS 54 -0.536 -5.760 -7.438 337 HG3 LYS 54 HG1 LYS 54 0.309 -4.527 -8.377 338 HD2 LYS 54 HD2 LYS 54 1.703 -4.136 -6.267 339 HD3 LYS 54 HD1 LYS 54 1.033 -5.663 -5.693 340 HE2 LYS 54 HE2 LYS 54 1.932 -6.820 -7.592 341 HE3 LYS 54 HE1 LYS 54 2.479 -5.303 -8.298 342 HZ1 LYS 54 HZ1 LYS 54 4.333 -6.374 -7.283 343 HZ2 LYS 54 HZ2 LYS 54 3.502 -6.593 -5.829 344 HZ3 LYS 54 HZ3 LYS 54 3.939 -5.034 -6.326 345 H SER 55 HN SER 55 -1.689 -1.195 -8.263 346 HA SER 55 HA SER 55 -0.191 -1.453 -10.663 347 HB2 SER 55 HB2 SER 55 -2.646 -1.235 -10.630 348 HB3 SER 55 HB1 SER 55 -2.491 0.400 -9.995 349 HG SER 55 HG SER 55 -1.034 0.506 -12.083 350 H LYS 56 HN LYS 56 0.027 0.675 -8.013 351 HA LYS 56 HA LYS 56 1.357 2.758 -9.539 352 HB2 LYS 56 HB2 LYS 56 0.578 2.450 -6.656 353 HB3 LYS 56 HB1 LYS 56 1.678 3.709 -7.167 354 HG2 LYS 56 HG2 LYS 56 -0.157 4.342 -8.854 355 HG3 LYS 56 HG1 LYS 56 -1.209 3.352 -7.841 356 HD2 LYS 56 HD2 LYS 56 -1.378 5.653 -7.146 357 HD3 LYS 56 HD1 LYS 56 -0.551 4.732 -5.889 358 HE2 LYS 56 HE2 LYS 56 1.594 5.557 -6.651 359 HE3 LYS 56 HE1 LYS 56 0.824 6.393 -7.998 360 HZ1 LYS 56 HZ1 LYS 56 -0.308 7.823 -6.447 361 HZ2 LYS 56 HZ2 LYS 56 1.351 7.874 -6.139 362 HZ3 LYS 56 HZ3 LYS 56 0.334 6.981 -5.131 363 H GLY 57 HN GLY 57 2.224 -0.186 -8.486 364 HA2 GLY 57 HA2 GLY 57 4.428 -0.978 -8.838 365 HA3 GLY 57 HA1 GLY 57 5.037 0.626 -8.463 366 H LEU 58 HN LEU 58 2.705 -0.196 -6.207 367 HA LEU 58 HA LEU 58 4.671 -0.528 -4.159 368 HB2 LEU 58 HB2 LEU 58 1.688 -0.515 -4.212 369 HB3 LEU 58 HB1 LEU 58 2.503 -1.182 -2.812 370 HG LEU 58 HG LEU 58 3.774 1.072 -2.764 371 HD11 LEU 58 HD11 LEU 58 2.491 2.961 -3.624 372 HD12 LEU 58 HD12 LEU 58 1.359 1.843 -4.386 373 HD13 LEU 58 HD13 LEU 58 3.038 1.900 -4.922 374 HD21 LEU 58 HD21 LEU 58 2.062 2.032 -1.357 375 HD22 LEU 58 HD22 LEU 58 2.188 0.294 -1.082 376 HD23 LEU 58 HD23 LEU 58 0.858 0.942 -2.042 377 H SER 59 HN SER 59 5.014 -2.294 -2.824 378 HA SER 59 HA SER 59 4.428 -4.899 -4.009 379 HB2 SER 59 HB2 SER 59 6.096 -4.173 -1.586 380 HB3 SER 59 HB1 SER 59 6.011 -5.764 -2.342 381 HG SER 59 HG SER 59 6.616 -4.196 -4.296 382 H ALA 60 HN ALA 60 3.634 -6.648 -2.508 383 HA ALA 60 HA ALA 60 1.148 -5.927 -1.459 384 HB1 ALA 60 HB1 ALA 60 1.703 -8.189 -2.236 385 HB2 ALA 60 HB2 ALA 60 1.007 -8.199 -0.616 386 HB3 ALA 60 HB3 ALA 60 2.745 -8.406 -0.830 387 H GLU 61 HN GLU 61 4.216 -6.565 0.184 388 HA GLU 61 HA GLU 61 3.312 -6.271 2.819 389 HB2 GLU 61 HB2 GLU 61 6.045 -5.611 1.707 390 HB3 GLU 61 HB1 GLU 61 5.661 -5.843 3.404 391 HG2 GLU 61 HG2 GLU 61 6.564 -7.872 2.852 392 HG3 GLU 61 HG1 GLU 61 4.845 -8.183 2.626 393 H GLU 62 HN GLU 62 4.406 -3.893 0.471 394 HA GLU 62 HA GLU 62 4.511 -1.686 2.242 395 HB2 GLU 62 HB2 GLU 62 4.109 -1.746 -0.754 396 HB3 GLU 62 HB1 GLU 62 4.528 -0.320 0.188 397 HG2 GLU 62 HG2 GLU 62 6.640 -1.298 0.816 398 HG3 GLU 62 HG1 GLU 62 6.217 -2.804 0.004 399 H ILE 63 HN ILE 63 2.027 -2.940 0.075 400 HA ILE 63 HA ILE 63 0.046 -1.006 0.593 401 HB ILE 63 HB ILE 63 -0.314 -3.924 -0.123 402 HG12 ILE 63 HG12 ILE 63 -0.253 -1.525 -1.962 403 HG13 ILE 63 HG11 ILE 63 1.136 -2.568 -1.675 404 HG21 ILE 63 HG21 ILE 63 -2.381 -2.996 0.678 405 HG22 ILE 63 HG22 ILE 63 -2.470 -3.155 -1.075 406 HG23 ILE 63 HG23 ILE 63 -2.186 -1.575 -0.347 407 HD11 ILE 63 HD11 ILE 63 -0.019 -3.125 -3.747 408 HD12 ILE 63 HD12 ILE 63 -1.497 -3.446 -2.838 409 HD13 ILE 63 HD13 ILE 63 -0.072 -4.458 -2.594 410 H CYS 64 HN CYS 64 0.739 -4.136 2.089 411 HA CYS 64 HA CYS 64 -1.332 -4.261 3.935 412 HB2 CYS 64 HB2 CYS 64 0.151 -6.143 3.468 413 HB3 CYS 64 HB1 CYS 64 1.510 -5.274 4.168 414 HG CYS 64 HG CYS 64 -1.217 -5.983 6.082 415 H GLU 65 HN GLU 65 1.852 -2.737 4.213 416 HA GLU 65 HA GLU 65 1.582 -1.927 6.897 417 HB2 GLU 65 HB2 GLU 65 3.764 -2.010 5.929 418 HB3 GLU 65 HB1 GLU 65 3.296 -0.925 4.626 419 HG2 GLU 65 HG2 GLU 65 3.057 0.891 6.185 420 HG3 GLU 65 HG1 GLU 65 3.442 -0.174 7.531 421 H ALA 66 HN ALA 66 1.036 -0.237 3.826 422 HA ALA 66 HA ALA 66 0.376 2.267 4.832 423 HB1 ALA 66 HB1 ALA 66 -0.749 2.664 2.701 424 HB2 ALA 66 HB2 ALA 66 -0.713 0.933 2.357 425 HB3 ALA 66 HB3 ALA 66 0.795 1.842 2.465 426 H PHE 67 HN PHE 67 -1.777 -0.460 4.058 427 HA PHE 67 HA PHE 67 -4.192 0.711 4.746 428 HB2 PHE 67 HB2 PHE 67 -3.175 -2.050 4.514 429 HB3 PHE 67 HB1 PHE 67 -4.614 -1.852 5.508 430 HD1 PHE 67 HD1 PHE 67 -3.239 -1.673 2.138 431 HD2 PHE 67 HD2 PHE 67 -6.686 -1.070 4.550 432 HE1 PHE 67 HE1 PHE 67 -4.639 -1.599 0.116 433 HE2 PHE 67 HE2 PHE 67 -8.093 -0.996 2.537 434 HZ PHE 67 HZ PHE 67 -7.071 -1.264 0.317 435 H THR 68 HN THR 68 -1.904 -1.033 6.820 436 HA THR 68 HA THR 68 -3.532 -0.924 9.122 437 HB THR 68 HB THR 68 -0.521 -1.127 9.084 438 HG1 THR 68 HG1 THR 68 -1.151 -2.783 7.780 439 HG21 THR 68 HG21 THR 68 -1.522 -0.796 11.293 440 HG22 THR 68 HG22 THR 68 -0.865 -2.426 11.136 441 HG23 THR 68 HG23 THR 68 -2.605 -2.159 11.010 442 H LYS 69 HN LYS 69 -1.212 1.285 7.719 443 HA LYS 69 HA LYS 69 -0.962 2.969 10.005 444 HB2 LYS 69 HB2 LYS 69 -0.351 3.517 7.101 445 HB3 LYS 69 HB1 LYS 69 0.111 4.557 8.446 446 HG2 LYS 69 HG2 LYS 69 1.083 2.137 9.233 447 HG3 LYS 69 HG1 LYS 69 1.308 2.074 7.490 448 HD2 LYS 69 HD2 LYS 69 2.229 4.357 9.217 449 HD3 LYS 69 HD1 LYS 69 3.249 2.986 8.782 450 HE2 LYS 69 HE2 LYS 69 2.773 3.548 6.383 451 HE3 LYS 69 HE1 LYS 69 2.027 5.033 6.969 452 HZ1 LYS 69 HZ1 LYS 69 4.136 5.621 8.018 453 HZ2 LYS 69 HZ2 LYS 69 4.312 5.432 6.347 454 HZ3 LYS 69 HZ3 LYS 69 4.849 4.217 7.398 455 H VAL 70 HN VAL 70 -3.213 2.820 7.339 456 HA VAL 70 HA VAL 70 -4.286 5.453 7.891 457 HB VAL 70 HB VAL 70 -5.836 5.092 6.114 458 HG11 VAL 70 HG11 VAL 70 -3.867 5.681 5.120 459 HG12 VAL 70 HG12 VAL 70 -4.165 4.131 4.331 460 HG13 VAL 70 HG13 VAL 70 -3.030 4.233 5.670 461 HG21 VAL 70 HG21 VAL 70 -6.527 2.800 6.644 462 HG22 VAL 70 HG22 VAL 70 -4.974 2.200 6.058 463 HG23 VAL 70 HG23 VAL 70 -6.100 2.973 4.942 464 H GLY 71 HN GLY 71 -4.523 2.593 9.448 465 HA2 GLY 71 HA2 GLY 71 -5.856 2.335 11.388 466 HA3 GLY 71 HA1 GLY 71 -7.053 3.409 10.678 467 H GLN 72 HN GLN 72 -5.865 1.076 8.529 468 HA GLN 72 HA GLN 72 -8.199 -0.649 9.037 469 HB2 GLN 72 HB2 GLN 72 -8.556 0.654 7.006 470 HB3 GLN 72 HB1 GLN 72 -6.977 0.189 6.394 471 HG2 GLN 72 HG2 GLN 72 -8.565 -1.097 5.228 472 HG3 GLN 72 HG1 GLN 72 -7.792 -2.182 6.379 473 HE21 GLN 72 HE21 GLN 72 -10.684 -0.490 5.521 474 HE22 GLN 72 HE22 GLN 72 -11.745 -1.361 6.574 475 HA PRO 73 HA PRO 73 -4.392 -3.102 9.520 476 HB2 PRO 73 HB2 PRO 73 -5.450 -4.917 11.245 477 HB3 PRO 73 HB1 PRO 73 -4.806 -3.352 11.751 478 HG2 PRO 73 HG2 PRO 73 -7.635 -4.204 11.350 479 HG3 PRO 73 HG1 PRO 73 -6.949 -3.133 12.582 480 HD2 PRO 73 HD2 PRO 73 -8.290 -2.247 10.371 481 HD3 PRO 73 HD1 PRO 73 -7.054 -1.297 11.217 482 H LYS 74 HN LYS 74 -4.193 -4.064 7.592 483 HA LYS 74 HA LYS 74 -5.839 -6.452 7.108 484 HB2 LYS 74 HB2 LYS 74 -4.496 -4.600 5.136 485 HB3 LYS 74 HB1 LYS 74 -5.138 -6.175 4.692 486 HG2 LYS 74 HG2 LYS 74 -6.690 -3.828 5.760 487 HG3 LYS 74 HG1 LYS 74 -6.731 -4.475 4.118 488 HD2 LYS 74 HD2 LYS 74 -7.577 -6.620 5.048 489 HD3 LYS 74 HD1 LYS 74 -7.659 -5.852 6.634 490 HE2 LYS 74 HE2 LYS 74 -9.188 -4.151 5.650 491 HE3 LYS 74 HE1 LYS 74 -9.200 -5.095 4.160 492 HZ1 LYS 74 HZ1 LYS 74 -10.043 -6.988 5.468 493 HZ2 LYS 74 HZ2 LYS 74 -11.101 -5.670 5.466 494 HZ3 LYS 74 HZ3 LYS 74 -10.149 -5.987 6.827 495 H THR 75 HN THR 75 -4.838 -8.346 6.768 496 HA THR 75 HA THR 75 -2.051 -8.499 7.514 497 HB THR 75 HB THR 75 -2.424 -10.982 7.236 498 HG1 THR 75 HG1 THR 75 -5.107 -10.095 6.766 499 HG21 THR 75 HG21 THR 75 -3.852 -11.190 9.227 500 HG22 THR 75 HG22 THR 75 -4.329 -9.502 9.054 501 HG23 THR 75 HG23 THR 75 -2.653 -9.912 9.415 502 H LEU 76 HN LEU 76 -0.478 -9.694 6.231 503 HA LEU 76 HA LEU 76 -0.320 -8.824 3.563 504 HB2 LEU 76 HB2 LEU 76 1.636 -9.407 4.943 505 HB3 LEU 76 HB1 LEU 76 1.145 -11.089 4.925 506 HG LEU 76 HG LEU 76 1.494 -11.161 2.491 507 HD11 LEU 76 HD11 LEU 76 1.057 -8.856 1.932 508 HD12 LEU 76 HD12 LEU 76 2.679 -9.298 1.402 509 HD13 LEU 76 HD13 LEU 76 2.461 -8.333 2.862 510 HD21 LEU 76 HD21 LEU 76 3.297 -11.821 3.986 511 HD22 LEU 76 HD22 LEU 76 3.861 -10.152 4.061 512 HD23 LEU 76 HD23 LEU 76 3.939 -11.039 2.540 513 H ASN 77 HN ASN 77 -1.498 -11.729 5.061 514 HA ASN 77 HA ASN 77 -1.829 -13.425 2.886 515 HB2 ASN 77 HB2 ASN 77 -2.196 -14.064 5.237 516 HB3 ASN 77 HB1 ASN 77 -3.635 -13.059 5.288 517 HD21 ASN 77 HD21 ASN 77 -5.069 -14.651 5.717 518 HD22 ASN 77 HD22 ASN 77 -5.453 -15.921 4.607 519 H GLU 78 HN GLU 78 -4.028 -10.964 4.182 520 HA GLU 78 HA GLU 78 -6.117 -11.378 2.344 521 HB2 GLU 78 HB2 GLU 78 -5.330 -8.951 3.954 522 HB3 GLU 78 HB1 GLU 78 -6.786 -9.023 2.972 523 HG2 GLU 78 HG2 GLU 78 -7.702 -10.753 4.308 524 HG3 GLU 78 HG1 GLU 78 -6.178 -10.975 5.163 525 H ILE 79 HN ILE 79 -3.374 -9.137 2.330 526 HA ILE 79 HA ILE 79 -4.126 -7.698 0.046 527 HB ILE 79 HB ILE 79 -1.316 -8.214 1.038 528 HG12 ILE 79 HG12 ILE 79 -2.677 -7.271 2.815 529 HG13 ILE 79 HG11 ILE 79 -1.585 -6.036 2.204 530 HG21 ILE 79 HG21 ILE 79 -1.360 -7.332 -1.231 531 HG22 ILE 79 HG22 ILE 79 -0.759 -6.120 -0.101 532 HG23 ILE 79 HG23 ILE 79 -2.410 -6.014 -0.712 533 HD11 ILE 79 HD11 ILE 79 -3.432 -5.087 0.889 534 HD12 ILE 79 HD12 ILE 79 -3.766 -5.098 2.621 535 HD13 ILE 79 HD13 ILE 79 -4.517 -6.299 1.571 536 H LYS 80 HN LYS 80 -2.054 -10.576 0.375 537 HA LYS 80 HA LYS 80 -1.420 -10.812 -2.364 538 HB2 LYS 80 HB2 LYS 80 -1.602 -12.956 -0.241 539 HB3 LYS 80 HB1 LYS 80 -0.887 -13.179 -1.833 540 HG2 LYS 80 HG2 LYS 80 0.686 -11.298 -1.244 541 HG3 LYS 80 HG1 LYS 80 0.079 -11.434 0.407 542 HD2 LYS 80 HD2 LYS 80 0.836 -13.709 0.561 543 HD3 LYS 80 HD1 LYS 80 1.293 -13.718 -1.145 544 HE2 LYS 80 HE2 LYS 80 2.954 -11.970 -0.694 545 HE3 LYS 80 HE1 LYS 80 2.512 -11.999 1.010 546 HZ1 LYS 80 HZ1 LYS 80 4.502 -13.293 0.570 547 HZ2 LYS 80 HZ2 LYS 80 3.650 -14.279 -0.507 548 HZ3 LYS 80 HZ3 LYS 80 3.257 -14.285 1.138 549 H ARG 81 HN ARG 81 -4.027 -12.175 -0.419 550 HA ARG 81 HA ARG 81 -5.213 -13.731 -2.443 551 HB2 ARG 81 HB2 ARG 81 -5.784 -14.074 -0.114 552 HB3 ARG 81 HB1 ARG 81 -6.428 -12.442 0.005 553 HG2 ARG 81 HG2 ARG 81 -8.224 -14.046 -0.150 554 HG3 ARG 81 HG1 ARG 81 -8.193 -13.031 -1.589 555 HD2 ARG 81 HD2 ARG 81 -7.050 -14.788 -2.822 556 HD3 ARG 81 HD1 ARG 81 -7.029 -15.804 -1.383 557 HE ARG 81 HE ARG 81 -9.677 -15.183 -1.812 558 HH11 ARG 81 HH11 ARG 81 -7.128 -16.722 -3.651 559 HH12 ARG 81 HH12 ARG 81 -8.205 -17.797 -4.484 560 HH21 ARG 81 HH21 ARG 81 -11.096 -16.594 -2.909 561 HH22 ARG 81 HH22 ARG 81 -10.464 -17.727 -4.062 562 H ILE 82 HN ILE 82 -5.811 -10.414 -1.384 563 HA ILE 82 HA ILE 82 -7.979 -9.883 -3.099 564 HB ILE 82 HB ILE 82 -5.961 -8.025 -1.841 565 HG12 ILE 82 HG12 ILE 82 -8.830 -8.586 -1.062 566 HG13 ILE 82 HG11 ILE 82 -7.449 -9.409 -0.343 567 HG21 ILE 82 HG21 ILE 82 -8.575 -7.340 -3.180 568 HG22 ILE 82 HG22 ILE 82 -6.964 -6.944 -3.778 569 HG23 ILE 82 HG23 ILE 82 -7.552 -6.218 -2.282 570 HD11 ILE 82 HD11 ILE 82 -6.610 -7.257 0.469 571 HD12 ILE 82 HD12 ILE 82 -8.219 -7.627 1.087 572 HD13 ILE 82 HD13 ILE 82 -8.024 -6.458 -0.220 573 H LEU 83 HN LEU 83 -4.493 -9.603 -3.539 574 HA LEU 83 HA LEU 83 -4.698 -8.257 -6.065 575 HB2 LEU 83 HB2 LEU 83 -2.414 -9.579 -4.615 576 HB3 LEU 83 HB1 LEU 83 -2.231 -8.863 -6.205 577 HG LEU 83 HG LEU 83 -3.114 -7.361 -3.740 578 HD11 LEU 83 HD11 LEU 83 -0.895 -6.356 -3.793 579 HD12 LEU 83 HD12 LEU 83 -0.447 -7.394 -5.145 580 HD13 LEU 83 HD13 LEU 83 -0.791 -8.102 -3.568 581 HD21 LEU 83 HD21 LEU 83 -2.639 -5.387 -5.178 582 HD22 LEU 83 HD22 LEU 83 -4.001 -6.360 -5.729 583 HD23 LEU 83 HD23 LEU 83 -2.441 -6.484 -6.543 584 H SER 84 HN SER 84 -4.676 -11.553 -5.018 585 HA SER 84 HA SER 84 -4.493 -12.392 -7.837 586 HB2 SER 84 HB2 SER 84 -2.626 -13.141 -6.252 587 HB3 SER 84 HB1 SER 84 -3.839 -14.160 -5.478 588 HG SER 84 HG SER 84 -4.156 -14.759 -7.925 Start of MODEL 5 1 H1 LYS 15 HT1 LYS 15 28.076 1.718 -8.759 2 H2 LYS 15 HT2 LYS 15 28.838 2.786 -7.699 3 H3 LYS 15 HT3 LYS 15 27.214 3.016 -8.111 4 HA LYS 15 HA LYS 15 28.298 0.714 -6.602 5 HB2 LYS 15 HB2 LYS 15 26.554 3.007 -5.669 6 HB3 LYS 15 HB1 LYS 15 27.077 1.647 -4.691 7 HG2 LYS 15 HG2 LYS 15 29.427 2.392 -5.024 8 HG3 LYS 15 HG1 LYS 15 28.802 3.829 -5.835 9 HD2 LYS 15 HD2 LYS 15 27.551 4.412 -3.804 10 HD3 LYS 15 HD1 LYS 15 28.208 2.988 -2.999 11 HE2 LYS 15 HE2 LYS 15 30.469 3.885 -3.270 12 HE3 LYS 15 HE1 LYS 15 29.806 5.309 -4.071 13 HZ1 LYS 15 HZ1 LYS 15 28.581 5.808 -2.026 14 HZ2 LYS 15 HZ2 LYS 15 30.251 5.786 -1.771 15 HZ3 LYS 15 HZ3 LYS 15 29.302 4.481 -1.266 16 HA PRO 16 HA PRO 16 24.431 -1.098 -7.871 17 HB2 PRO 16 HB2 PRO 16 24.548 -3.363 -6.453 18 HB3 PRO 16 HB1 PRO 16 25.659 -3.068 -7.796 19 HG2 PRO 16 HG2 PRO 16 26.133 -2.834 -4.856 20 HG3 PRO 16 HG1 PRO 16 27.208 -3.457 -6.119 21 HD2 PRO 16 HD2 PRO 16 27.337 -0.911 -5.032 22 HD3 PRO 16 HD1 PRO 16 28.018 -1.382 -6.599 23 H GLU 17 HN GLU 17 22.344 -1.634 -6.997 24 HA GLU 17 HA GLU 17 21.878 -0.354 -4.402 25 HB2 GLU 17 HB2 GLU 17 19.456 -0.373 -5.157 26 HB3 GLU 17 HB1 GLU 17 20.548 0.659 -6.067 27 HG2 GLU 17 HG2 GLU 17 20.713 -1.134 -7.781 28 HG3 GLU 17 HG1 GLU 17 19.485 -2.032 -6.892 29 H VAL 18 HN VAL 18 22.921 -2.475 -3.681 30 HA VAL 18 HA VAL 18 21.268 -4.818 -3.717 31 HB VAL 18 HB VAL 18 23.708 -4.277 -2.024 32 HG11 VAL 18 HG11 VAL 18 22.377 -6.868 -2.811 33 HG12 VAL 18 HG12 VAL 18 22.369 -6.137 -1.205 34 HG13 VAL 18 HG13 VAL 18 23.882 -6.720 -1.901 35 HG21 VAL 18 HG21 VAL 18 23.499 -5.565 -4.742 36 HG22 VAL 18 HG22 VAL 18 24.952 -5.525 -3.744 37 HG23 VAL 18 HG23 VAL 18 24.267 -4.023 -4.367 38 H GLU 19 HN GLU 19 22.196 -2.414 -1.319 39 HA GLU 19 HA GLU 19 20.618 -3.550 0.760 40 HB2 GLU 19 HB2 GLU 19 21.833 -0.812 0.432 41 HB3 GLU 19 HB1 GLU 19 20.989 -1.333 1.882 42 HG2 GLU 19 HG2 GLU 19 22.644 -3.194 2.074 43 HG3 GLU 19 HG1 GLU 19 23.533 -2.455 0.742 44 H HIS 20 HN HIS 20 18.651 -2.837 1.587 45 HA HIS 20 HA HIS 20 16.856 -1.835 -0.455 46 HB2 HIS 20 HB2 HIS 20 16.314 -2.821 2.352 47 HB3 HIS 20 HB1 HIS 20 15.073 -2.351 1.202 48 HD1 HIS 20 HD1 HIS 20 14.460 -4.025 -0.626 49 HD2 HIS 20 HD2 HIS 20 17.599 -5.276 1.794 50 HE1 HIS 20 HE1 HIS 20 14.798 -6.459 -1.159 51 HE2 HIS 20 HE2 HIS 20 16.813 -7.140 0.188 52 H THR 21 HN THR 21 16.638 0.281 -0.698 53 HA THR 21 HA THR 21 17.139 2.140 1.416 54 HB THR 21 HB THR 21 16.112 3.787 -0.278 55 HG1 THR 21 HG1 THR 21 15.622 3.045 -2.242 56 HG21 THR 21 HG21 THR 21 18.566 2.190 -1.013 57 HG22 THR 21 HG22 THR 21 18.511 3.578 0.071 58 HG23 THR 21 HG23 THR 21 18.159 3.785 -1.645 59 H HIS 22 HN HIS 22 15.778 2.348 3.051 60 HA HIS 22 HA HIS 22 13.119 1.423 3.025 61 HB2 HIS 22 HB2 HIS 22 14.544 3.278 4.933 62 HB3 HIS 22 HB1 HIS 22 12.912 2.683 5.203 63 HD1 HIS 22 HD1 HIS 22 14.788 1.956 7.344 64 HD2 HIS 22 HD2 HIS 22 14.460 -0.344 3.899 65 HE1 HIS 22 HE1 HIS 22 15.634 -0.324 7.970 66 HE2 HIS 22 HE2 HIS 22 15.570 -1.651 5.832 67 H SER 23 HN SER 23 14.529 4.453 2.142 68 HA SER 23 HA SER 23 12.282 6.112 2.316 69 HB2 SER 23 HB2 SER 23 13.487 7.407 0.461 70 HB3 SER 23 HB1 SER 23 14.375 7.160 1.965 71 HG SER 23 HG SER 23 15.100 6.462 -0.478 72 H GLU 24 HN GLU 24 13.383 3.937 -0.247 73 HA GLU 24 HA GLU 24 11.486 4.629 -2.198 74 HB2 GLU 24 HB2 GLU 24 13.371 2.440 -1.737 75 HB3 GLU 24 HB1 GLU 24 11.919 1.926 -2.584 76 HG2 GLU 24 HG2 GLU 24 13.712 2.550 -4.119 77 HG3 GLU 24 HG1 GLU 24 12.292 3.576 -4.306 78 H ARG 25 HN ARG 25 11.375 2.213 0.397 79 HA ARG 25 HA ARG 25 8.788 1.264 -0.223 80 HB2 ARG 25 HB2 ARG 25 10.019 -0.181 1.120 81 HB3 ARG 25 HB1 ARG 25 10.618 1.117 2.143 82 HG2 ARG 25 HG2 ARG 25 8.452 1.337 3.182 83 HG3 ARG 25 HG1 ARG 25 7.793 0.095 2.122 84 HD2 ARG 25 HD2 ARG 25 9.251 -1.562 3.078 85 HD3 ARG 25 HD1 ARG 25 10.068 -0.339 4.043 86 HE ARG 25 HE ARG 25 7.497 -0.133 4.868 87 HH11 ARG 25 HH11 ARG 25 9.604 -2.902 4.452 88 HH12 ARG 25 HH12 ARG 25 8.973 -3.753 5.824 89 HH21 ARG 25 HH21 ARG 25 6.677 -1.238 6.692 90 HH22 ARG 25 HH22 ARG 25 7.304 -2.808 7.097 91 H GLU 26 HN GLU 26 10.032 3.676 2.048 92 HA GLU 26 HA GLU 26 7.632 4.243 3.346 93 HB2 GLU 26 HB2 GLU 26 9.791 4.893 4.241 94 HB3 GLU 26 HB1 GLU 26 10.052 5.988 2.893 95 HG2 GLU 26 HG2 GLU 26 8.215 7.369 3.618 96 HG3 GLU 26 HG1 GLU 26 7.864 6.253 4.936 97 H LYS 27 HN LYS 27 9.094 5.783 0.481 98 HA LYS 27 HA LYS 27 7.162 7.833 0.295 99 HB2 LYS 27 HB2 LYS 27 7.995 8.212 -1.966 100 HB3 LYS 27 HB1 LYS 27 9.320 7.990 -0.836 101 HG2 LYS 27 HG2 LYS 27 9.518 5.646 -1.610 102 HG3 LYS 27 HG1 LYS 27 8.285 5.988 -2.823 103 HD2 LYS 27 HD2 LYS 27 10.566 6.150 -3.736 104 HD3 LYS 27 HD1 LYS 27 9.697 7.683 -3.827 105 HE2 LYS 27 HE2 LYS 27 10.883 8.544 -1.931 106 HE3 LYS 27 HE1 LYS 27 11.616 6.973 -1.614 107 HZ1 LYS 27 HZ1 LYS 27 13.104 8.578 -2.728 108 HZ2 LYS 27 HZ2 LYS 27 12.085 8.553 -4.079 109 HZ3 LYS 27 HZ3 LYS 27 12.890 7.140 -3.600 110 H ARG 28 HN ARG 28 7.276 4.574 -1.074 111 HA ARG 28 HA ARG 28 4.926 4.895 -2.642 112 HB2 ARG 28 HB2 ARG 28 6.221 2.385 -1.566 113 HB3 ARG 28 HB1 ARG 28 4.913 2.417 -2.739 114 HG2 ARG 28 HG2 ARG 28 6.427 3.800 -4.204 115 HG3 ARG 28 HG1 ARG 28 7.726 3.392 -3.085 116 HD2 ARG 28 HD2 ARG 28 6.029 1.418 -4.604 117 HD3 ARG 28 HD1 ARG 28 7.663 1.903 -5.040 118 HE ARG 28 HE ARG 28 6.879 0.178 -2.816 119 HH11 ARG 28 HH11 ARG 28 9.445 1.905 -4.461 120 HH12 ARG 28 HH12 ARG 28 10.688 0.828 -3.907 121 HH21 ARG 28 HH21 ARG 28 8.505 -1.227 -2.081 122 HH22 ARG 28 HH22 ARG 28 10.160 -0.943 -2.543 123 H VAL 29 HN VAL 29 5.560 3.697 0.614 124 HA VAL 29 HA VAL 29 2.915 3.017 1.283 125 HB VAL 29 HB VAL 29 5.179 3.979 3.046 126 HG11 VAL 29 HG11 VAL 29 2.567 2.700 3.852 127 HG12 VAL 29 HG12 VAL 29 3.043 4.370 4.159 128 HG13 VAL 29 HG13 VAL 29 3.921 3.047 4.927 129 HG21 VAL 29 HG21 VAL 29 4.116 1.218 2.463 130 HG22 VAL 29 HG22 VAL 29 5.395 1.601 3.616 131 HG23 VAL 29 HG23 VAL 29 5.643 1.891 1.893 132 H SER 30 HN SER 30 4.713 6.060 1.542 133 HA SER 30 HA SER 30 2.798 7.570 2.899 134 HB2 SER 30 HB2 SER 30 4.774 8.525 0.808 135 HB3 SER 30 HB1 SER 30 3.950 9.545 1.986 136 HG SER 30 HG SER 30 5.648 7.373 2.685 137 H ASN 31 HN ASN 31 3.276 7.118 -0.593 138 HA ASN 31 HA ASN 31 1.170 8.760 -1.463 139 HB2 ASN 31 HB2 ASN 31 2.642 6.445 -2.679 140 HB3 ASN 31 HB1 ASN 31 1.222 7.096 -3.487 141 HD21 ASN 31 HD21 ASN 31 4.505 7.696 -2.529 142 HD22 ASN 31 HD22 ASN 31 4.734 9.104 -3.507 143 H ALA 32 HN ALA 32 1.254 5.399 -0.471 144 HA ALA 32 HA ALA 32 -1.425 4.815 -1.246 145 HB1 ALA 32 HB1 ALA 32 0.408 3.379 0.658 146 HB2 ALA 32 HB2 ALA 32 0.239 3.064 -1.069 147 HB3 ALA 32 HB3 ALA 32 -1.111 2.750 0.021 148 H VAL 33 HN VAL 33 0.113 5.669 1.834 149 HA VAL 33 HA VAL 33 -2.173 5.384 3.442 150 HB VAL 33 HB VAL 33 0.154 7.286 3.827 151 HG11 VAL 33 HG11 VAL 33 -0.441 7.324 6.168 152 HG12 VAL 33 HG12 VAL 33 -1.783 6.220 5.875 153 HG13 VAL 33 HG13 VAL 33 -1.822 7.850 5.202 154 HG21 VAL 33 HG21 VAL 33 -0.292 4.472 4.806 155 HG22 VAL 33 HG22 VAL 33 1.026 5.524 5.320 156 HG23 VAL 33 HG23 VAL 33 0.916 5.005 3.638 157 H GLU 34 HN GLU 34 -0.903 8.170 1.660 158 HA GLU 34 HA GLU 34 -2.928 9.953 2.526 159 HB2 GLU 34 HB2 GLU 34 -2.044 11.497 0.934 160 HB3 GLU 34 HB1 GLU 34 -0.690 10.615 1.621 161 HG2 GLU 34 HG2 GLU 34 -0.567 9.224 -0.360 162 HG3 GLU 34 HG1 GLU 34 -1.935 10.090 -1.060 163 H PHE 35 HN PHE 35 -2.635 7.756 -0.214 164 HA PHE 35 HA PHE 35 -4.947 8.709 -1.590 165 HB2 PHE 35 HB2 PHE 35 -3.210 7.510 -2.793 166 HB3 PHE 35 HB1 PHE 35 -3.446 6.089 -1.785 167 HD1 PHE 35 HD1 PHE 35 -4.996 4.450 -2.380 168 HD2 PHE 35 HD2 PHE 35 -5.111 8.244 -4.300 169 HE1 PHE 35 HE1 PHE 35 -6.629 3.576 -3.997 170 HE2 PHE 35 HE2 PHE 35 -6.748 7.377 -5.921 171 HZ PHE 35 HZ PHE 35 -7.508 5.041 -5.771 172 H LEU 36 HN LEU 36 -4.327 6.027 0.635 173 HA LEU 36 HA LEU 36 -6.883 4.866 0.485 174 HB2 LEU 36 HB2 LEU 36 -4.753 4.802 2.595 175 HB3 LEU 36 HB1 LEU 36 -6.237 3.884 2.738 176 HG LEU 36 HG LEU 36 -4.184 3.582 0.545 177 HD11 LEU 36 HD11 LEU 36 -3.691 1.441 1.598 178 HD12 LEU 36 HD12 LEU 36 -4.843 1.800 2.883 179 HD13 LEU 36 HD13 LEU 36 -3.387 2.779 2.705 180 HD21 LEU 36 HD21 LEU 36 -6.394 3.069 -0.278 181 HD22 LEU 36 HD22 LEU 36 -6.718 2.056 1.127 182 HD23 LEU 36 HD23 LEU 36 -5.493 1.572 -0.045 183 H LEU 37 HN LEU 37 -5.659 7.550 2.342 184 HA LEU 37 HA LEU 37 -7.991 7.623 4.046 185 HB2 LEU 37 HB2 LEU 37 -5.420 9.080 3.887 186 HB3 LEU 37 HB1 LEU 37 -6.773 9.939 4.600 187 HG LEU 37 HG LEU 37 -5.682 7.285 5.538 188 HD11 LEU 37 HD11 LEU 37 -5.006 8.562 7.524 189 HD12 LEU 37 HD12 LEU 37 -5.532 10.048 6.735 190 HD13 LEU 37 HD13 LEU 37 -4.192 9.120 6.065 191 HD21 LEU 37 HD21 LEU 37 -7.229 7.692 7.460 192 HD22 LEU 37 HD22 LEU 37 -8.034 7.339 5.932 193 HD23 LEU 37 HD23 LEU 37 -7.954 8.999 6.520 194 H ASP 38 HN ASP 38 -7.709 8.362 0.939 195 HA ASP 38 HA ASP 38 -8.915 10.966 0.933 196 HB2 ASP 38 HB2 ASP 38 -7.545 10.076 -0.977 197 HB3 ASP 38 HB1 ASP 38 -8.858 8.963 -1.331 198 H SER 39 HN SER 39 -11.039 11.489 0.666 199 HA SER 39 HA SER 39 -12.905 9.844 1.919 200 HB2 SER 39 HB2 SER 39 -13.515 12.144 0.051 201 HB3 SER 39 HB1 SER 39 -14.535 11.531 1.352 202 HG SER 39 HG SER 39 -12.053 12.890 1.560 203 H ARG 40 HN ARG 40 -12.257 10.300 -1.540 204 HA ARG 40 HA ARG 40 -14.532 8.812 -2.407 205 HB2 ARG 40 HB2 ARG 40 -11.935 9.420 -3.829 206 HB3 ARG 40 HB1 ARG 40 -13.348 8.699 -4.589 207 HG2 ARG 40 HG2 ARG 40 -13.225 11.429 -3.329 208 HG3 ARG 40 HG1 ARG 40 -13.201 11.080 -5.057 209 HD2 ARG 40 HD2 ARG 40 -15.424 10.137 -4.935 210 HD3 ARG 40 HD1 ARG 40 -15.447 10.342 -3.184 211 HE ARG 40 HE ARG 40 -14.984 12.844 -4.232 212 HH11 ARG 40 HH11 ARG 40 -17.510 10.429 -4.455 213 HH12 ARG 40 HH12 ARG 40 -18.769 11.598 -4.708 214 HH21 ARG 40 HH21 ARG 40 -16.629 14.377 -4.531 215 HH22 ARG 40 HH22 ARG 40 -18.268 13.848 -4.748 216 H VAL 41 HN VAL 41 -11.224 8.016 -1.615 217 HA VAL 41 HA VAL 41 -11.337 5.354 -2.647 218 HB VAL 41 HB VAL 41 -9.350 6.616 -0.751 219 HG11 VAL 41 HG11 VAL 41 -7.844 4.807 -1.470 220 HG12 VAL 41 HG12 VAL 41 -9.165 4.084 -2.387 221 HG13 VAL 41 HG13 VAL 41 -9.264 4.186 -0.629 222 HG21 VAL 41 HG21 VAL 41 -9.266 6.251 -3.743 223 HG22 VAL 41 HG22 VAL 41 -7.976 6.923 -2.746 224 HG23 VAL 41 HG23 VAL 41 -9.513 7.775 -2.894 225 H ARG 42 HN ARG 42 -11.789 6.831 0.525 226 HA ARG 42 HA ARG 42 -11.979 4.386 1.949 227 HB2 ARG 42 HB2 ARG 42 -12.829 5.656 3.775 228 HB3 ARG 42 HB1 ARG 42 -11.639 6.665 2.975 229 HG2 ARG 42 HG2 ARG 42 -13.459 7.867 1.846 230 HG3 ARG 42 HG1 ARG 42 -14.627 6.880 2.728 231 HD2 ARG 42 HD2 ARG 42 -13.715 7.717 4.847 232 HD3 ARG 42 HD1 ARG 42 -12.577 8.720 3.952 233 HE ARG 42 HE ARG 42 -15.421 9.113 3.433 234 HH11 ARG 42 HH11 ARG 42 -12.505 10.214 5.026 235 HH12 ARG 42 HH12 ARG 42 -13.089 11.832 5.257 236 HH21 ARG 42 HH21 ARG 42 -16.197 11.243 3.750 237 HH22 ARG 42 HH22 ARG 42 -15.188 12.412 4.540 238 H ARG 43 HN ARG 43 -14.108 6.004 -0.196 239 HA ARG 43 HA ARG 43 -16.479 4.615 0.756 240 HB2 ARG 43 HB2 ARG 43 -16.018 6.563 -1.498 241 HB3 ARG 43 HB1 ARG 43 -17.568 5.792 -1.196 242 HG2 ARG 43 HG2 ARG 43 -17.714 6.825 0.971 243 HG3 ARG 43 HG1 ARG 43 -16.095 7.500 0.795 244 HD2 ARG 43 HD2 ARG 43 -17.717 9.212 0.338 245 HD3 ARG 43 HD1 ARG 43 -16.885 8.790 -1.156 246 HE ARG 43 HE ARG 43 -19.159 7.233 -1.094 247 HH11 ARG 43 HH11 ARG 43 -18.404 10.642 -1.077 248 HH12 ARG 43 HH12 ARG 43 -19.877 11.108 -1.867 249 HH21 ARG 43 HH21 ARG 43 -21.116 7.837 -2.131 250 HH22 ARG 43 HH22 ARG 43 -21.423 9.511 -2.460 251 H THR 44 HN THR 44 -13.914 3.882 -1.276 252 HA THR 44 HA THR 44 -15.528 2.121 -2.952 253 HB THR 44 HB THR 44 -13.201 1.578 -3.937 254 HG1 THR 44 HG1 THR 44 -12.403 3.141 -2.028 255 HG21 THR 44 HG21 THR 44 -14.908 2.831 -5.137 256 HG22 THR 44 HG22 THR 44 -13.318 3.537 -5.422 257 HG23 THR 44 HG23 THR 44 -14.435 4.307 -4.296 258 HA PRO 45 HA PRO 45 -14.615 -1.606 -0.728 259 HB2 PRO 45 HB2 PRO 45 -13.953 -3.309 -2.780 260 HB3 PRO 45 HB1 PRO 45 -15.612 -2.879 -2.348 261 HG2 PRO 45 HG2 PRO 45 -13.860 -1.753 -4.499 262 HG3 PRO 45 HG1 PRO 45 -15.578 -2.194 -4.570 263 HD2 PRO 45 HD2 PRO 45 -14.815 0.356 -4.307 264 HD3 PRO 45 HD1 PRO 45 -16.246 -0.265 -3.458 265 H THR 46 HN THR 46 -12.902 -2.930 -0.036 266 HA THR 46 HA THR 46 -10.379 -1.725 0.012 267 HB THR 46 HB THR 46 -10.693 -4.656 0.507 268 HG1 THR 46 HG1 THR 46 -11.885 -4.293 2.316 269 HG21 THR 46 HG21 THR 46 -9.229 -4.178 2.393 270 HG22 THR 46 HG22 THR 46 -9.309 -2.454 2.040 271 HG23 THR 46 HG23 THR 46 -8.525 -3.552 0.903 272 H SER 47 HN SER 47 -11.711 -4.275 -2.008 273 HA SER 47 HA SER 47 -9.371 -5.288 -3.123 274 HB2 SER 47 HB2 SER 47 -12.007 -4.975 -4.569 275 HB3 SER 47 HB1 SER 47 -10.774 -6.210 -4.834 276 HG SER 47 HG SER 47 -11.547 -7.322 -3.229 277 H SER 48 HN SER 48 -11.396 -2.567 -4.147 278 HA SER 48 HA SER 48 -9.998 -1.907 -6.475 279 HB2 SER 48 HB2 SER 48 -11.615 -0.194 -4.581 280 HB3 SER 48 HB1 SER 48 -11.102 0.288 -6.187 281 HG SER 48 HG SER 48 -12.621 -0.903 -7.045 282 H LYS 49 HN LYS 49 -9.705 -0.760 -3.142 283 HA LYS 49 HA LYS 49 -7.741 1.189 -3.504 284 HB2 LYS 49 HB2 LYS 49 -7.998 -0.648 -1.125 285 HB3 LYS 49 HB1 LYS 49 -7.282 0.954 -1.141 286 HG2 LYS 49 HG2 LYS 49 -9.460 1.936 -1.575 287 HG3 LYS 49 HG1 LYS 49 -10.190 0.329 -1.611 288 HD2 LYS 49 HD2 LYS 49 -9.284 0.022 0.741 289 HD3 LYS 49 HD1 LYS 49 -8.936 1.752 0.728 290 HE2 LYS 49 HE2 LYS 49 -11.299 2.214 0.279 291 HE3 LYS 49 HE1 LYS 49 -11.635 0.482 0.310 292 HZ1 LYS 49 HZ1 LYS 49 -12.185 1.543 2.419 293 HZ2 LYS 49 HZ2 LYS 49 -10.593 2.075 2.596 294 HZ3 LYS 49 HZ3 LYS 49 -10.938 0.422 2.626 295 H VAL 50 HN VAL 50 -7.441 -2.252 -2.726 296 HA VAL 50 HA VAL 50 -4.619 -2.267 -2.506 297 HB VAL 50 HB VAL 50 -6.469 -4.574 -3.145 298 HG11 VAL 50 HG11 VAL 50 -3.621 -4.569 -2.151 299 HG12 VAL 50 HG12 VAL 50 -4.179 -5.113 -3.731 300 HG13 VAL 50 HG13 VAL 50 -4.653 -5.993 -2.278 301 HG21 VAL 50 HG21 VAL 50 -5.351 -3.638 -0.503 302 HG22 VAL 50 HG22 VAL 50 -6.343 -5.074 -0.758 303 HG23 VAL 50 HG23 VAL 50 -7.024 -3.472 -1.037 304 H HIS 51 HN HIS 51 -6.797 -3.012 -5.195 305 HA HIS 51 HA HIS 51 -4.798 -3.905 -6.978 306 HB2 HIS 51 HB2 HIS 51 -7.585 -2.841 -7.402 307 HB3 HIS 51 HB1 HIS 51 -6.553 -3.288 -8.756 308 HD1 HIS 51 HD1 HIS 51 -8.533 -5.070 -9.193 309 HD2 HIS 51 HD2 HIS 51 -6.172 -5.722 -5.834 310 HE1 HIS 51 HE1 HIS 51 -8.935 -7.461 -8.538 311 HE2 HIS 51 HE2 HIS 51 -7.372 -7.883 -6.608 312 H PHE 52 HN PHE 52 -6.121 -0.712 -6.293 313 HA PHE 52 HA PHE 52 -4.843 0.586 -8.480 314 HB2 PHE 52 HB2 PHE 52 -6.825 1.469 -7.157 315 HB3 PHE 52 HB1 PHE 52 -5.682 1.885 -5.885 316 HD1 PHE 52 HD1 PHE 52 -6.980 2.750 -9.157 317 HD2 PHE 52 HD2 PHE 52 -3.994 3.642 -6.259 318 HE1 PHE 52 HE1 PHE 52 -6.529 4.890 -10.284 319 HE2 PHE 52 HE2 PHE 52 -3.540 5.783 -7.381 320 HZ PHE 52 HZ PHE 52 -4.806 6.408 -9.395 321 H LEU 53 HN LEU 53 -4.001 0.115 -5.069 322 HA LEU 53 HA LEU 53 -1.646 1.673 -5.106 323 HB2 LEU 53 HB2 LEU 53 -2.380 -0.676 -3.356 324 HB3 LEU 53 HB1 LEU 53 -1.024 0.397 -3.070 325 HG LEU 53 HG LEU 53 -3.950 1.120 -2.970 326 HD11 LEU 53 HD11 LEU 53 -1.803 0.999 -0.862 327 HD12 LEU 53 HD12 LEU 53 -3.189 -0.080 -1.019 328 HD13 LEU 53 HD13 LEU 53 -3.435 1.619 -0.618 329 HD21 LEU 53 HD21 LEU 53 -1.513 2.868 -2.675 330 HD22 LEU 53 HD22 LEU 53 -3.158 3.350 -2.264 331 HD23 LEU 53 HD23 LEU 53 -2.744 2.970 -3.935 332 H LYS 54 HN LYS 54 -2.234 -1.760 -5.751 333 HA LYS 54 HA LYS 54 0.451 -2.481 -6.125 334 HB2 LYS 54 HB2 LYS 54 -1.359 -4.130 -5.862 335 HB3 LYS 54 HB1 LYS 54 -2.025 -3.646 -7.417 336 HG2 LYS 54 HG2 LYS 54 -0.770 -5.702 -7.635 337 HG3 LYS 54 HG1 LYS 54 0.028 -4.400 -8.520 338 HD2 LYS 54 HD2 LYS 54 1.350 -4.106 -6.272 339 HD3 LYS 54 HD1 LYS 54 0.856 -5.777 -6.006 340 HE2 LYS 54 HE2 LYS 54 1.890 -6.450 -8.074 341 HE3 LYS 54 HE1 LYS 54 2.282 -4.774 -8.453 342 HZ1 LYS 54 HZ1 LYS 54 4.218 -5.845 -7.597 343 HZ2 LYS 54 HZ2 LYS 54 3.390 -6.397 -6.233 344 HZ3 LYS 54 HZ3 LYS 54 3.679 -4.741 -6.433 345 H SER 55 HN SER 55 -1.992 -1.175 -8.304 346 HA SER 55 HA SER 55 -0.406 -1.315 -10.655 347 HB2 SER 55 HB2 SER 55 -2.906 -1.114 -10.612 348 HB3 SER 55 HB1 SER 55 -2.716 0.559 -10.088 349 HG SER 55 HG SER 55 -1.322 0.698 -12.095 350 H LYS 56 HN LYS 56 -0.315 0.726 -7.938 351 HA LYS 56 HA LYS 56 0.933 2.954 -9.279 352 HB2 LYS 56 HB2 LYS 56 0.405 2.269 -6.400 353 HB3 LYS 56 HB1 LYS 56 1.393 3.643 -6.853 354 HG2 LYS 56 HG2 LYS 56 -0.523 4.529 -8.153 355 HG3 LYS 56 HG1 LYS 56 -1.499 3.196 -7.533 356 HD2 LYS 56 HD2 LYS 56 -1.872 5.206 -6.213 357 HD3 LYS 56 HD1 LYS 56 -1.079 3.969 -5.238 358 HE2 LYS 56 HE2 LYS 56 -0.113 6.194 -4.863 359 HE3 LYS 56 HE1 LYS 56 1.066 5.072 -5.538 360 HZ1 LYS 56 HZ1 LYS 56 0.663 6.056 -7.724 361 HZ2 LYS 56 HZ2 LYS 56 1.208 7.212 -6.620 362 HZ3 LYS 56 HZ3 LYS 56 -0.428 7.153 -7.042 363 H GLY 57 HN GLY 57 1.935 -0.077 -8.547 364 HA2 GLY 57 HA2 GLY 57 4.100 -0.877 -8.953 365 HA3 GLY 57 HA1 GLY 57 4.727 0.744 -8.700 366 H LEU 58 HN LEU 58 2.516 -0.363 -6.343 367 HA LEU 58 HA LEU 58 4.616 -0.472 -4.362 368 HB2 LEU 58 HB2 LEU 58 1.650 -0.446 -4.309 369 HB3 LEU 58 HB1 LEU 58 2.465 -1.207 -2.958 370 HG LEU 58 HG LEU 58 3.767 0.960 -2.703 371 HD11 LEU 58 HD11 LEU 58 1.592 1.955 -4.532 372 HD12 LEU 58 HD12 LEU 58 3.322 1.924 -4.879 373 HD13 LEU 58 HD13 LEU 58 2.696 2.970 -3.605 374 HD21 LEU 58 HD21 LEU 58 1.990 1.994 -1.428 375 HD22 LEU 58 HD22 LEU 58 1.970 0.241 -1.218 376 HD23 LEU 58 HD23 LEU 58 0.790 1.018 -2.276 377 H SER 59 HN SER 59 4.900 -2.223 -2.902 378 HA SER 59 HA SER 59 4.339 -4.845 -4.086 379 HB2 SER 59 HB2 SER 59 6.122 -4.137 -1.746 380 HB3 SER 59 HB1 SER 59 6.074 -5.675 -2.613 381 HG SER 59 HG SER 59 7.230 -3.244 -3.326 382 H ALA 60 HN ALA 60 3.724 -6.569 -2.465 383 HA ALA 60 HA ALA 60 1.342 -5.902 -1.172 384 HB1 ALA 60 HB1 ALA 60 1.943 -8.178 -1.920 385 HB2 ALA 60 HB2 ALA 60 1.373 -8.134 -0.252 386 HB3 ALA 60 HB3 ALA 60 3.097 -8.283 -0.590 387 H GLU 61 HN GLU 61 4.633 -6.083 0.020 388 HA GLU 61 HA GLU 61 4.159 -5.870 2.768 389 HB2 GLU 61 HB2 GLU 61 6.448 -4.663 1.207 390 HB3 GLU 61 HB1 GLU 61 6.425 -5.004 2.930 391 HG2 GLU 61 HG2 GLU 61 6.313 -7.381 2.489 392 HG3 GLU 61 HG1 GLU 61 6.240 -7.074 0.754 393 H GLU 62 HN GLU 62 4.711 -3.312 0.351 394 HA GLU 62 HA GLU 62 4.451 -1.152 2.130 395 HB2 GLU 62 HB2 GLU 62 4.099 -1.324 -0.857 396 HB3 GLU 62 HB1 GLU 62 3.934 0.185 0.026 397 HG2 GLU 62 HG2 GLU 62 6.107 0.293 -0.682 398 HG3 GLU 62 HG1 GLU 62 6.292 -0.386 0.932 399 H ILE 63 HN ILE 63 2.107 -2.775 0.048 400 HA ILE 63 HA ILE 63 -0.074 -1.079 0.537 401 HB ILE 63 HB ILE 63 -0.110 -4.041 -0.074 402 HG12 ILE 63 HG12 ILE 63 -0.344 -1.678 -1.950 403 HG13 ILE 63 HG11 ILE 63 1.122 -2.625 -1.724 404 HG21 ILE 63 HG21 ILE 63 -2.247 -3.266 0.797 405 HG22 ILE 63 HG22 ILE 63 -2.372 -3.630 -0.923 406 HG23 ILE 63 HG23 ILE 63 -2.267 -1.956 -0.382 407 HD11 ILE 63 HD11 ILE 63 -0.016 -4.601 -2.568 408 HD12 ILE 63 HD12 ILE 63 -0.079 -3.281 -3.737 409 HD13 ILE 63 HD13 ILE 63 -1.500 -3.670 -2.768 410 H CYS 64 HN CYS 64 1.002 -4.021 2.198 411 HA CYS 64 HA CYS 64 -1.111 -4.218 4.035 412 HB2 CYS 64 HB2 CYS 64 0.419 -6.064 3.676 413 HB3 CYS 64 HB1 CYS 64 1.775 -5.101 4.249 414 HG CYS 64 HG CYS 64 -0.831 -6.253 6.156 415 H GLU 65 HN GLU 65 1.988 -2.524 4.212 416 HA GLU 65 HA GLU 65 1.671 -1.661 6.886 417 HB2 GLU 65 HB2 GLU 65 3.870 -1.786 5.996 418 HB3 GLU 65 HB1 GLU 65 3.448 -0.766 4.627 419 HG2 GLU 65 HG2 GLU 65 3.361 1.155 5.947 420 HG3 GLU 65 HG1 GLU 65 3.345 0.233 7.449 421 H ALA 66 HN ALA 66 1.160 -0.039 3.751 422 HA ALA 66 HA ALA 66 0.449 2.471 4.726 423 HB1 ALA 66 HB1 ALA 66 -0.525 1.092 2.232 424 HB2 ALA 66 HB2 ALA 66 0.941 2.061 2.385 425 HB3 ALA 66 HB3 ALA 66 -0.643 2.822 2.563 426 H PHE 67 HN PHE 67 -1.579 -0.363 4.079 427 HA PHE 67 HA PHE 67 -4.040 0.821 4.698 428 HB2 PHE 67 HB2 PHE 67 -3.014 -1.928 4.446 429 HB3 PHE 67 HB1 PHE 67 -4.417 -1.753 5.496 430 HD1 PHE 67 HD1 PHE 67 -6.510 -0.835 4.610 431 HD2 PHE 67 HD2 PHE 67 -3.205 -1.698 2.082 432 HE1 PHE 67 HE1 PHE 67 -7.998 -0.765 2.659 433 HE2 PHE 67 HE2 PHE 67 -4.688 -1.631 0.118 434 HZ PHE 67 HZ PHE 67 -7.091 -1.163 0.413 435 H THR 68 HN THR 68 -1.709 -0.866 6.765 436 HA THR 68 HA THR 68 -3.240 -0.675 9.128 437 HB THR 68 HB THR 68 -0.226 -0.794 8.945 438 HG1 THR 68 HG1 THR 68 -0.949 -2.513 7.746 439 HG21 THR 68 HG21 THR 68 -0.418 -1.974 11.090 440 HG22 THR 68 HG22 THR 68 -2.167 -1.749 11.054 441 HG23 THR 68 HG23 THR 68 -1.099 -0.350 11.183 442 H LYS 69 HN LYS 69 -0.955 1.468 7.559 443 HA LYS 69 HA LYS 69 -0.594 3.349 9.599 444 HB2 LYS 69 HB2 LYS 69 -0.470 3.561 6.601 445 HB3 LYS 69 HB1 LYS 69 -0.054 4.897 7.663 446 HG2 LYS 69 HG2 LYS 69 1.272 2.284 8.117 447 HG3 LYS 69 HG1 LYS 69 1.765 3.244 6.727 448 HD2 LYS 69 HD2 LYS 69 1.625 4.349 9.517 449 HD3 LYS 69 HD1 LYS 69 3.083 3.616 8.843 450 HE2 LYS 69 HE2 LYS 69 2.985 5.249 6.989 451 HE3 LYS 69 HE1 LYS 69 1.609 6.014 7.776 452 HZ1 LYS 69 HZ1 LYS 69 3.040 6.450 9.703 453 HZ2 LYS 69 HZ2 LYS 69 3.619 7.197 8.302 454 HZ3 LYS 69 HZ3 LYS 69 4.359 5.789 8.875 455 H VAL 70 HN VAL 70 -3.178 2.955 7.243 456 HA VAL 70 HA VAL 70 -4.338 5.520 7.997 457 HB VAL 70 HB VAL 70 -6.005 5.153 6.276 458 HG11 VAL 70 HG11 VAL 70 -4.583 5.225 4.343 459 HG12 VAL 70 HG12 VAL 70 -3.276 4.438 5.220 460 HG13 VAL 70 HG13 VAL 70 -3.790 6.063 5.671 461 HG21 VAL 70 HG21 VAL 70 -6.316 2.747 6.500 462 HG22 VAL 70 HG22 VAL 70 -4.703 2.465 5.846 463 HG23 VAL 70 HG23 VAL 70 -5.955 3.176 4.828 464 H GLY 71 HN GLY 71 -4.259 2.728 9.501 465 HA2 GLY 71 HA2 GLY 71 -5.522 2.207 11.399 466 HA3 GLY 71 HA1 GLY 71 -6.805 3.249 10.809 467 H GLN 72 HN GLN 72 -5.453 0.921 8.645 468 HA GLN 72 HA GLN 72 -7.713 -0.895 9.174 469 HB2 GLN 72 HB2 GLN 72 -8.071 0.431 7.107 470 HB3 GLN 72 HB1 GLN 72 -6.548 -0.177 6.475 471 HG2 GLN 72 HG2 GLN 72 -8.161 -1.493 5.443 472 HG3 GLN 72 HG1 GLN 72 -7.561 -2.501 6.756 473 HE21 GLN 72 HE21 GLN 72 -10.220 -0.682 5.521 474 HE22 GLN 72 HE22 GLN 72 -11.400 -1.254 6.645 475 HA PRO 73 HA PRO 73 -3.807 -3.239 9.543 476 HB2 PRO 73 HB2 PRO 73 -4.728 -5.040 11.347 477 HB3 PRO 73 HB1 PRO 73 -4.118 -3.446 11.802 478 HG2 PRO 73 HG2 PRO 73 -6.935 -4.389 11.519 479 HG3 PRO 73 HG1 PRO 73 -6.233 -3.304 12.730 480 HD2 PRO 73 HD2 PRO 73 -7.680 -2.439 10.577 481 HD3 PRO 73 HD1 PRO 73 -6.425 -1.466 11.369 482 H LYS 74 HN LYS 74 -3.746 -4.205 7.591 483 HA LYS 74 HA LYS 74 -5.537 -6.483 7.133 484 HB2 LYS 74 HB2 LYS 74 -4.069 -4.675 5.228 485 HB3 LYS 74 HB1 LYS 74 -4.704 -6.234 4.718 486 HG2 LYS 74 HG2 LYS 74 -6.281 -3.913 5.806 487 HG3 LYS 74 HG1 LYS 74 -6.273 -4.510 4.144 488 HD2 LYS 74 HD2 LYS 74 -7.086 -6.712 5.050 489 HD3 LYS 74 HD1 LYS 74 -7.313 -5.906 6.601 490 HE2 LYS 74 HE2 LYS 74 -8.875 -4.349 5.578 491 HE3 LYS 74 HE1 LYS 74 -8.629 -5.119 4.010 492 HZ1 LYS 74 HZ1 LYS 74 -9.378 -7.237 5.184 493 HZ2 LYS 74 HZ2 LYS 74 -10.562 -6.082 4.822 494 HZ3 LYS 74 HZ3 LYS 74 -9.970 -6.215 6.400 495 H THR 75 HN THR 75 -4.757 -8.464 6.747 496 HA THR 75 HA THR 75 -2.018 -8.960 7.495 497 HB THR 75 HB THR 75 -2.633 -11.366 7.128 498 HG1 THR 75 HG1 THR 75 -5.198 -10.220 6.578 499 HG21 THR 75 HG21 THR 75 -2.859 -10.328 9.331 500 HG22 THR 75 HG22 THR 75 -4.136 -11.512 9.055 501 HG23 THR 75 HG23 THR 75 -4.486 -9.790 8.915 502 H LEU 76 HN LEU 76 -0.545 -10.210 6.179 503 HA LEU 76 HA LEU 76 -0.275 -9.175 3.575 504 HB2 LEU 76 HB2 LEU 76 1.599 -9.954 5.005 505 HB3 LEU 76 HB1 LEU 76 1.061 -11.605 4.770 506 HG LEU 76 HG LEU 76 1.521 -11.419 2.367 507 HD11 LEU 76 HD11 LEU 76 1.122 -9.052 2.063 508 HD12 LEU 76 HD12 LEU 76 2.748 -9.466 1.518 509 HD13 LEU 76 HD13 LEU 76 2.515 -8.664 3.071 510 HD21 LEU 76 HD21 LEU 76 3.950 -11.374 2.517 511 HD22 LEU 76 HD22 LEU 76 3.259 -12.238 3.891 512 HD23 LEU 76 HD23 LEU 76 3.851 -10.589 4.091 513 H ASN 77 HN ASN 77 -1.650 -12.106 4.858 514 HA ASN 77 HA ASN 77 -1.942 -13.592 2.505 515 HB2 ASN 77 HB2 ASN 77 -2.336 -14.456 4.809 516 HB3 ASN 77 HB1 ASN 77 -3.829 -13.529 4.869 517 HD21 ASN 77 HD21 ASN 77 -5.615 -14.239 3.752 518 HD22 ASN 77 HD22 ASN 77 -5.688 -15.791 2.993 519 H GLU 78 HN GLU 78 -4.100 -11.226 4.025 520 HA GLU 78 HA GLU 78 -6.206 -11.375 2.186 521 HB2 GLU 78 HB2 GLU 78 -5.222 -9.133 3.940 522 HB3 GLU 78 HB1 GLU 78 -6.623 -8.946 2.895 523 HG2 GLU 78 HG2 GLU 78 -7.808 -10.652 4.056 524 HG3 GLU 78 HG1 GLU 78 -6.373 -11.092 4.977 525 H ILE 79 HN ILE 79 -3.337 -9.298 2.235 526 HA ILE 79 HA ILE 79 -3.954 -7.791 -0.042 527 HB ILE 79 HB ILE 79 -1.187 -8.536 0.921 528 HG12 ILE 79 HG12 ILE 79 -2.455 -7.580 2.765 529 HG13 ILE 79 HG11 ILE 79 -1.281 -6.402 2.189 530 HG21 ILE 79 HG21 ILE 79 -0.524 -6.410 -0.125 531 HG22 ILE 79 HG22 ILE 79 -2.170 -6.211 -0.729 532 HG23 ILE 79 HG23 ILE 79 -1.179 -7.557 -1.294 533 HD11 ILE 79 HD11 ILE 79 -3.375 -5.322 2.678 534 HD12 ILE 79 HD12 ILE 79 -4.230 -6.425 1.600 535 HD13 ILE 79 HD13 ILE 79 -3.071 -5.271 0.941 536 H LYS 80 HN LYS 80 -2.076 -10.795 0.303 537 HA LYS 80 HA LYS 80 -1.443 -11.103 -2.426 538 HB2 LYS 80 HB2 LYS 80 -1.812 -13.176 -0.258 539 HB3 LYS 80 HB1 LYS 80 -1.176 -13.530 -1.856 540 HG2 LYS 80 HG2 LYS 80 0.668 -11.947 -1.415 541 HG3 LYS 80 HG1 LYS 80 0.062 -11.755 0.229 542 HD2 LYS 80 HD2 LYS 80 0.378 -14.119 0.657 543 HD3 LYS 80 HD1 LYS 80 0.892 -14.378 -1.010 544 HE2 LYS 80 HE2 LYS 80 2.823 -12.916 -0.630 545 HE3 LYS 80 HE1 LYS 80 2.311 -12.682 1.040 546 HZ1 LYS 80 HZ1 LYS 80 4.028 -14.360 0.887 547 HZ2 LYS 80 HZ2 LYS 80 3.090 -15.270 -0.186 548 HZ3 LYS 80 HZ3 LYS 80 2.580 -15.061 1.412 549 H ARG 81 HN ARG 81 -4.143 -12.289 -0.498 550 HA ARG 81 HA ARG 81 -5.351 -13.855 -2.489 551 HB2 ARG 81 HB2 ARG 81 -5.934 -13.993 -0.097 552 HB3 ARG 81 HB1 ARG 81 -6.682 -12.404 -0.196 553 HG2 ARG 81 HG2 ARG 81 -8.373 -14.120 -0.282 554 HG3 ARG 81 HG1 ARG 81 -8.293 -13.280 -1.829 555 HD2 ARG 81 HD2 ARG 81 -8.497 -15.715 -2.105 556 HD3 ARG 81 HD1 ARG 81 -7.000 -15.086 -2.786 557 HE ARG 81 HE ARG 81 -7.015 -16.273 -0.097 558 HH11 ARG 81 HH11 ARG 81 -5.936 -16.331 -3.431 559 HH12 ARG 81 HH12 ARG 81 -4.713 -17.526 -3.150 560 HH21 ARG 81 HH21 ARG 81 -5.397 -17.857 0.272 561 HH22 ARG 81 HH22 ARG 81 -4.405 -18.391 -1.048 562 H ILE 82 HN ILE 82 -5.932 -10.500 -1.521 563 HA ILE 82 HA ILE 82 -7.998 -10.000 -3.364 564 HB ILE 82 HB ILE 82 -6.072 -8.085 -2.031 565 HG12 ILE 82 HG12 ILE 82 -8.960 -8.648 -1.358 566 HG13 ILE 82 HG11 ILE 82 -7.627 -9.521 -0.609 567 HG21 ILE 82 HG21 ILE 82 -8.655 -7.488 -3.472 568 HG22 ILE 82 HG22 ILE 82 -7.036 -7.068 -4.031 569 HG23 ILE 82 HG23 ILE 82 -7.684 -6.326 -2.569 570 HD11 ILE 82 HD11 ILE 82 -8.136 -6.560 -0.447 571 HD12 ILE 82 HD12 ILE 82 -6.758 -7.400 0.265 572 HD13 ILE 82 HD13 ILE 82 -8.392 -7.746 0.833 573 H LEU 83 HN LEU 83 -4.493 -9.788 -3.607 574 HA LEU 83 HA LEU 83 -4.573 -8.530 -6.199 575 HB2 LEU 83 HB2 LEU 83 -2.323 -9.697 -4.575 576 HB3 LEU 83 HB1 LEU 83 -2.092 -9.006 -6.170 577 HG LEU 83 HG LEU 83 -3.129 -7.516 -3.757 578 HD11 LEU 83 HD11 LEU 83 -0.463 -7.399 -5.156 579 HD12 LEU 83 HD12 LEU 83 -0.769 -8.075 -3.557 580 HD13 LEU 83 HD13 LEU 83 -0.987 -6.348 -3.840 581 HD21 LEU 83 HD21 LEU 83 -4.082 -6.624 -5.782 582 HD22 LEU 83 HD22 LEU 83 -2.501 -6.611 -6.562 583 HD23 LEU 83 HD23 LEU 83 -2.824 -5.532 -5.206 584 H SER 84 HN SER 84 -5.129 -11.642 -5.186 585 HA SER 84 HA SER 84 -4.077 -12.839 -7.633 586 HB2 SER 84 HB2 SER 84 -5.536 -14.126 -5.311 587 HB3 SER 84 HB1 SER 84 -4.768 -14.979 -6.651 588 HG SER 84 HG SER 84 -3.445 -13.282 -4.788 Start of MODEL 6 1 H1 LYS 15 HT1 LYS 15 30.763 3.698 3.006 2 H2 LYS 15 HT2 LYS 15 29.763 2.334 3.023 3 H3 LYS 15 HT3 LYS 15 30.090 3.159 4.461 4 HA LYS 15 HA LYS 15 28.931 5.101 3.655 5 HB2 LYS 15 HB2 LYS 15 29.359 4.679 1.243 6 HB3 LYS 15 HB1 LYS 15 28.229 3.336 1.303 7 HG2 LYS 15 HG2 LYS 15 26.488 5.012 2.059 8 HG3 LYS 15 HG1 LYS 15 27.644 6.262 1.598 9 HD2 LYS 15 HD2 LYS 15 26.551 4.122 -0.224 10 HD3 LYS 15 HD1 LYS 15 26.015 5.801 -0.180 11 HE2 LYS 15 HE2 LYS 15 28.276 6.521 -0.812 12 HE3 LYS 15 HE1 LYS 15 28.784 4.834 -0.879 13 HZ1 LYS 15 HZ1 LYS 15 27.105 4.477 -2.617 14 HZ2 LYS 15 HZ2 LYS 15 28.267 5.611 -3.075 15 HZ3 LYS 15 HZ3 LYS 15 26.733 6.125 -2.591 16 HA PRO 16 HA PRO 16 25.589 2.977 5.703 17 HB2 PRO 16 HB2 PRO 16 24.071 5.127 6.274 18 HB3 PRO 16 HB1 PRO 16 25.585 4.801 7.122 19 HG2 PRO 16 HG2 PRO 16 25.028 6.733 4.919 20 HG3 PRO 16 HG1 PRO 16 26.057 6.928 6.349 21 HD2 PRO 16 HD2 PRO 16 26.983 6.314 3.826 22 HD3 PRO 16 HD1 PRO 16 27.851 5.948 5.325 23 H GLU 17 HN GLU 17 23.570 2.222 5.149 24 HA GLU 17 HA GLU 17 22.654 2.910 2.476 25 HB2 GLU 17 HB2 GLU 17 21.822 0.705 4.366 26 HB3 GLU 17 HB1 GLU 17 21.125 0.955 2.773 27 HG2 GLU 17 HG2 GLU 17 23.993 0.288 3.382 28 HG3 GLU 17 HG1 GLU 17 22.780 -0.798 2.707 29 H VAL 18 HN VAL 18 21.708 4.887 2.762 30 HA VAL 18 HA VAL 18 19.286 4.925 4.427 31 HB VAL 18 HB VAL 18 20.945 7.304 3.590 32 HG11 VAL 18 HG11 VAL 18 19.562 8.536 5.198 33 HG12 VAL 18 HG12 VAL 18 18.601 7.083 5.470 34 HG13 VAL 18 HG13 VAL 18 18.603 7.855 3.885 35 HG21 VAL 18 HG21 VAL 18 21.623 7.434 5.944 36 HG22 VAL 18 HG22 VAL 18 22.159 5.932 5.193 37 HG23 VAL 18 HG23 VAL 18 20.763 5.930 6.270 38 H GLU 19 HN GLU 19 20.664 6.506 1.570 39 HA GLU 19 HA GLU 19 18.116 7.155 0.489 40 HB2 GLU 19 HB2 GLU 19 19.321 7.885 -1.488 41 HB3 GLU 19 HB1 GLU 19 20.133 8.454 -0.039 42 HG2 GLU 19 HG2 GLU 19 21.855 6.828 -0.273 43 HG3 GLU 19 HG1 GLU 19 20.983 6.013 -1.570 44 H HIS 20 HN HIS 20 17.100 6.303 -1.349 45 HA HIS 20 HA HIS 20 16.146 4.625 -2.522 46 HB2 HIS 20 HB2 HIS 20 18.990 3.628 -2.568 47 HB3 HIS 20 HB1 HIS 20 17.682 2.790 -3.392 48 HD1 HIS 20 HD1 HIS 20 17.510 3.390 -5.781 49 HD2 HIS 20 HD2 HIS 20 19.050 6.518 -3.513 50 HE1 HIS 20 HE1 HIS 20 18.005 5.234 -7.416 51 HE2 HIS 20 HE2 HIS 20 18.869 7.140 -6.017 52 H THR 21 HN THR 21 15.646 2.225 -2.492 53 HA THR 21 HA THR 21 14.808 0.447 -1.369 54 HB THR 21 HB THR 21 17.024 0.897 0.639 55 HG1 THR 21 HG1 THR 21 18.339 0.198 -0.862 56 HG21 THR 21 HG21 THR 21 15.304 -0.688 1.377 57 HG22 THR 21 HG22 THR 21 16.817 -1.520 1.019 58 HG23 THR 21 HG23 THR 21 15.480 -1.587 -0.130 59 H HIS 22 HN HIS 22 15.976 2.288 1.449 60 HA HIS 22 HA HIS 22 13.568 1.939 2.905 61 HB2 HIS 22 HB2 HIS 22 15.744 3.999 3.324 62 HB3 HIS 22 HB1 HIS 22 14.521 3.542 4.498 63 HD1 HIS 22 HD1 HIS 22 17.796 2.485 3.087 64 HD2 HIS 22 HD2 HIS 22 14.955 1.054 5.761 65 HE1 HIS 22 HE1 HIS 22 18.909 0.594 4.308 66 HE2 HIS 22 HE2 HIS 22 17.133 -0.338 5.832 67 H SER 23 HN SER 23 14.948 4.655 1.111 68 HA SER 23 HA SER 23 12.829 6.459 1.613 69 HB2 SER 23 HB2 SER 23 15.072 7.195 0.909 70 HB3 SER 23 HB1 SER 23 14.844 6.413 -0.651 71 HG SER 23 HG SER 23 14.381 8.601 -0.835 72 H GLU 24 HN GLU 24 13.461 4.098 -0.917 73 HA GLU 24 HA GLU 24 11.384 4.937 -2.650 74 HB2 GLU 24 HB2 GLU 24 12.822 2.286 -2.440 75 HB3 GLU 24 HB1 GLU 24 11.731 2.730 -3.747 76 HG2 GLU 24 HG2 GLU 24 13.190 4.553 -4.386 77 HG3 GLU 24 HG1 GLU 24 14.262 4.194 -3.036 78 H ARG 25 HN ARG 25 11.569 2.471 -0.099 79 HA ARG 25 HA ARG 25 8.918 1.553 -0.413 80 HB2 ARG 25 HB2 ARG 25 10.348 0.135 0.805 81 HB3 ARG 25 HB1 ARG 25 10.933 1.450 1.818 82 HG2 ARG 25 HG2 ARG 25 8.688 1.606 2.822 83 HG3 ARG 25 HG1 ARG 25 8.211 0.187 1.892 84 HD2 ARG 25 HD2 ARG 25 9.752 -1.195 3.052 85 HD3 ARG 25 HD1 ARG 25 10.550 0.197 3.782 86 HE ARG 25 HE ARG 25 7.760 -0.061 4.462 87 HH11 ARG 25 HH11 ARG 25 11.012 -1.027 5.311 88 HH12 ARG 25 HH12 ARG 25 10.638 -1.269 6.988 89 HH21 ARG 25 HH21 ARG 25 7.261 -0.356 6.672 90 HH22 ARG 25 HH22 ARG 25 8.510 -0.884 7.761 91 H GLU 26 HN GLU 26 10.427 3.971 1.707 92 HA GLU 26 HA GLU 26 8.204 4.567 3.262 93 HB2 GLU 26 HB2 GLU 26 10.424 5.269 3.889 94 HB3 GLU 26 HB1 GLU 26 10.551 6.288 2.464 95 HG2 GLU 26 HG2 GLU 26 8.912 7.788 3.303 96 HG3 GLU 26 HG1 GLU 26 8.527 6.710 4.643 97 H LYS 27 HN LYS 27 9.266 6.051 0.205 98 HA LYS 27 HA LYS 27 7.244 8.033 0.203 99 HB2 LYS 27 HB2 LYS 27 7.859 8.464 -2.092 100 HB3 LYS 27 HB1 LYS 27 9.311 8.212 -1.141 101 HG2 LYS 27 HG2 LYS 27 9.537 5.969 -2.016 102 HG3 LYS 27 HG1 LYS 27 8.028 6.145 -2.912 103 HD2 LYS 27 HD2 LYS 27 9.863 6.484 -4.420 104 HD3 LYS 27 HD1 LYS 27 9.055 8.030 -4.161 105 HE2 LYS 27 HE2 LYS 27 10.778 8.668 -2.556 106 HE3 LYS 27 HE1 LYS 27 11.581 7.116 -2.786 107 HZ1 LYS 27 HZ1 LYS 27 11.222 9.245 -4.820 108 HZ2 LYS 27 HZ2 LYS 27 11.870 7.718 -5.141 109 HZ3 LYS 27 HZ3 LYS 27 12.672 8.771 -4.093 110 H ARG 28 HN ARG 28 7.398 4.763 -1.150 111 HA ARG 28 HA ARG 28 4.977 5.004 -2.622 112 HB2 ARG 28 HB2 ARG 28 6.581 2.611 -1.744 113 HB3 ARG 28 HB1 ARG 28 5.093 2.467 -2.672 114 HG2 ARG 28 HG2 ARG 28 6.110 3.892 -4.425 115 HG3 ARG 28 HG1 ARG 28 7.620 3.864 -3.514 116 HD2 ARG 28 HD2 ARG 28 6.182 1.448 -4.603 117 HD3 ARG 28 HD1 ARG 28 7.593 2.209 -5.329 118 HE ARG 28 HE ARG 28 7.573 0.830 -2.711 119 HH11 ARG 28 HH11 ARG 28 9.264 1.968 -5.570 120 HH12 ARG 28 HH12 ARG 28 10.730 1.128 -5.186 121 HH21 ARG 28 HH21 ARG 28 9.495 -0.250 -2.204 122 HH22 ARG 28 HH22 ARG 28 10.865 -0.135 -3.263 123 H VAL 29 HN VAL 29 5.758 3.701 0.579 124 HA VAL 29 HA VAL 29 3.174 2.832 1.243 125 HB VAL 29 HB VAL 29 5.336 3.940 3.054 126 HG11 VAL 29 HG11 VAL 29 4.142 2.850 4.895 127 HG12 VAL 29 HG12 VAL 29 2.845 2.400 3.788 128 HG13 VAL 29 HG13 VAL 29 3.152 4.100 4.142 129 HG21 VAL 29 HG21 VAL 29 6.005 1.933 1.849 130 HG22 VAL 29 HG22 VAL 29 4.543 1.106 2.387 131 HG23 VAL 29 HG23 VAL 29 5.771 1.578 3.561 132 H SER 30 HN SER 30 4.745 5.989 1.583 133 HA SER 30 HA SER 30 2.628 7.304 2.874 134 HB2 SER 30 HB2 SER 30 4.712 8.468 1.014 135 HB3 SER 30 HB1 SER 30 3.731 9.376 2.165 136 HG SER 30 HG SER 30 5.828 7.549 2.647 137 H ASN 31 HN ASN 31 3.317 6.809 -0.570 138 HA ASN 31 HA ASN 31 1.277 8.428 -1.624 139 HB2 ASN 31 HB2 ASN 31 2.530 5.893 -2.702 140 HB3 ASN 31 HB1 ASN 31 1.410 6.889 -3.616 141 HD21 ASN 31 HD21 ASN 31 4.145 6.203 -4.210 142 HD22 ASN 31 HD22 ASN 31 5.016 7.693 -4.319 143 H ALA 32 HN ALA 32 1.290 5.142 -0.436 144 HA ALA 32 HA ALA 32 -1.385 4.548 -1.248 145 HB1 ALA 32 HB1 ALA 32 0.243 2.779 -0.970 146 HB2 ALA 32 HB2 ALA 32 -1.122 2.541 0.119 147 HB3 ALA 32 HB3 ALA 32 0.402 3.173 0.741 148 H VAL 33 HN VAL 33 0.139 5.501 1.801 149 HA VAL 33 HA VAL 33 -2.170 5.304 3.388 150 HB VAL 33 HB VAL 33 0.185 7.165 3.774 151 HG11 VAL 33 HG11 VAL 33 -1.714 7.803 5.166 152 HG12 VAL 33 HG12 VAL 33 -0.422 7.112 6.151 153 HG13 VAL 33 HG13 VAL 33 -1.845 6.149 5.761 154 HG21 VAL 33 HG21 VAL 33 0.911 4.863 3.579 155 HG22 VAL 33 HG22 VAL 33 -0.289 4.357 4.766 156 HG23 VAL 33 HG23 VAL 33 1.050 5.396 5.253 157 H GLU 34 HN GLU 34 -0.870 7.989 1.472 158 HA GLU 34 HA GLU 34 -2.840 9.860 2.285 159 HB2 GLU 34 HB2 GLU 34 -2.027 11.263 0.509 160 HB3 GLU 34 HB1 GLU 34 -0.653 10.463 1.254 161 HG2 GLU 34 HG2 GLU 34 -0.594 8.859 -0.584 162 HG3 GLU 34 HG1 GLU 34 -1.950 9.691 -1.343 163 H PHE 35 HN PHE 35 -2.669 7.532 -0.369 164 HA PHE 35 HA PHE 35 -5.026 8.461 -1.680 165 HB2 PHE 35 HB2 PHE 35 -3.323 7.215 -2.902 166 HB3 PHE 35 HB1 PHE 35 -3.570 5.814 -1.869 167 HD1 PHE 35 HD1 PHE 35 -5.300 8.000 -4.323 168 HD2 PHE 35 HD2 PHE 35 -5.114 4.181 -2.454 169 HE1 PHE 35 HE1 PHE 35 -6.993 7.154 -5.895 170 HE2 PHE 35 HE2 PHE 35 -6.806 3.328 -4.022 171 HZ PHE 35 HZ PHE 35 -7.748 4.815 -5.746 172 H LEU 36 HN LEU 36 -4.332 5.852 0.600 173 HA LEU 36 HA LEU 36 -6.905 4.697 0.548 174 HB2 LEU 36 HB2 LEU 36 -4.693 4.602 2.576 175 HB3 LEU 36 HB1 LEU 36 -6.168 3.669 2.735 176 HG LEU 36 HG LEU 36 -4.193 3.436 0.462 177 HD11 LEU 36 HD11 LEU 36 -3.260 2.629 2.559 178 HD12 LEU 36 HD12 LEU 36 -3.614 1.287 1.471 179 HD13 LEU 36 HD13 LEU 36 -4.691 1.631 2.824 180 HD21 LEU 36 HD21 LEU 36 -5.478 1.406 -0.086 181 HD22 LEU 36 HD22 LEU 36 -6.430 2.881 -0.252 182 HD23 LEU 36 HD23 LEU 36 -6.654 1.840 1.155 183 H LEU 37 HN LEU 37 -5.565 7.370 2.348 184 HA LEU 37 HA LEU 37 -7.784 7.428 4.206 185 HB2 LEU 37 HB2 LEU 37 -5.224 8.878 3.897 186 HB3 LEU 37 HB1 LEU 37 -6.528 9.749 4.682 187 HG LEU 37 HG LEU 37 -5.456 7.075 5.576 188 HD11 LEU 37 HD11 LEU 37 -5.060 9.820 6.762 189 HD12 LEU 37 HD12 LEU 37 -3.839 8.898 5.886 190 HD13 LEU 37 HD13 LEU 37 -4.460 8.299 7.424 191 HD21 LEU 37 HD21 LEU 37 -7.787 7.342 6.143 192 HD22 LEU 37 HD22 LEU 37 -7.481 8.957 6.776 193 HD23 LEU 37 HD23 LEU 37 -6.808 7.546 7.596 194 H ASP 38 HN ASP 38 -7.655 8.228 1.093 195 HA ASP 38 HA ASP 38 -8.741 10.876 1.181 196 HB2 ASP 38 HB2 ASP 38 -7.504 9.941 -0.791 197 HB3 ASP 38 HB1 ASP 38 -8.881 8.890 -1.092 198 H SER 39 HN SER 39 -10.838 11.518 1.102 199 HA SER 39 HA SER 39 -12.795 9.976 2.306 200 HB2 SER 39 HB2 SER 39 -12.788 12.467 2.113 201 HB3 SER 39 HB1 SER 39 -13.263 12.300 0.424 202 HG SER 39 HG SER 39 -15.221 12.237 1.155 203 H ARG 40 HN ARG 40 -12.089 10.403 -1.112 204 HA ARG 40 HA ARG 40 -14.448 9.138 -2.104 205 HB2 ARG 40 HB2 ARG 40 -11.736 9.531 -3.386 206 HB3 ARG 40 HB1 ARG 40 -13.178 8.993 -4.233 207 HG2 ARG 40 HG2 ARG 40 -14.213 11.078 -4.038 208 HG3 ARG 40 HG1 ARG 40 -13.107 11.605 -2.766 209 HD2 ARG 40 HD2 ARG 40 -12.335 11.063 -5.633 210 HD3 ARG 40 HD1 ARG 40 -12.615 12.662 -4.940 211 HE ARG 40 HE ARG 40 -10.748 11.651 -3.286 212 HH11 ARG 40 HH11 ARG 40 -10.901 11.772 -6.787 213 HH12 ARG 40 HH12 ARG 40 -9.183 11.886 -6.980 214 HH21 ARG 40 HH21 ARG 40 -8.493 11.834 -3.534 215 HH22 ARG 40 HH22 ARG 40 -7.808 11.923 -5.133 216 H VAL 41 HN VAL 41 -11.159 8.065 -1.456 217 HA VAL 41 HA VAL 41 -11.501 5.470 -2.582 218 HB VAL 41 HB VAL 41 -9.359 6.507 -0.719 219 HG11 VAL 41 HG11 VAL 41 -9.376 4.067 -2.498 220 HG12 VAL 41 HG12 VAL 41 -9.424 4.068 -0.735 221 HG13 VAL 41 HG13 VAL 41 -7.993 4.661 -1.579 222 HG21 VAL 41 HG21 VAL 41 -9.535 7.794 -2.779 223 HG22 VAL 41 HG22 VAL 41 -9.434 6.310 -3.726 224 HG23 VAL 41 HG23 VAL 41 -8.054 6.834 -2.761 225 H ARG 42 HN ARG 42 -11.875 6.837 0.602 226 HA ARG 42 HA ARG 42 -11.978 4.416 2.045 227 HB2 ARG 42 HB2 ARG 42 -13.273 7.081 2.621 228 HB3 ARG 42 HB1 ARG 42 -13.203 5.744 3.760 229 HG2 ARG 42 HG2 ARG 42 -10.720 5.830 3.604 230 HG3 ARG 42 HG1 ARG 42 -10.886 7.287 2.624 231 HD2 ARG 42 HD2 ARG 42 -10.465 7.888 4.928 232 HD3 ARG 42 HD1 ARG 42 -12.104 8.360 4.474 233 HE ARG 42 HE ARG 42 -12.176 5.789 5.597 234 HH11 ARG 42 HH11 ARG 42 -11.572 9.089 6.586 235 HH12 ARG 42 HH12 ARG 42 -12.151 8.843 8.201 236 HH21 ARG 42 HH21 ARG 42 -12.926 5.455 7.718 237 HH22 ARG 42 HH22 ARG 42 -12.920 6.771 8.849 238 H ARG 43 HN ARG 43 -14.227 5.885 -0.108 239 HA ARG 43 HA ARG 43 -16.477 4.383 0.965 240 HB2 ARG 43 HB2 ARG 43 -16.295 6.282 -1.374 241 HB3 ARG 43 HB1 ARG 43 -17.775 5.497 -0.838 242 HG2 ARG 43 HG2 ARG 43 -17.521 6.599 1.357 243 HG3 ARG 43 HG1 ARG 43 -16.104 7.446 0.731 244 HD2 ARG 43 HD2 ARG 43 -18.916 7.641 -0.340 245 HD3 ARG 43 HD1 ARG 43 -18.085 8.857 0.625 246 HE ARG 43 HE ARG 43 -17.186 8.046 -2.067 247 HH11 ARG 43 HH11 ARG 43 -17.763 10.495 0.370 248 HH12 ARG 43 HH12 ARG 43 -17.294 11.809 -0.658 249 HH21 ARG 43 HH21 ARG 43 -16.528 9.770 -3.413 250 HH22 ARG 43 HH22 ARG 43 -16.572 11.397 -2.808 251 H THR 44 HN THR 44 -14.054 3.992 -1.426 252 HA THR 44 HA THR 44 -15.572 2.096 -2.994 253 HB THR 44 HB THR 44 -13.185 1.632 -3.940 254 HG1 THR 44 HG1 THR 44 -12.441 3.139 -2.029 255 HG21 THR 44 HG21 THR 44 -14.964 2.797 -5.154 256 HG22 THR 44 HG22 THR 44 -13.389 3.530 -5.459 257 HG23 THR 44 HG23 THR 44 -14.522 4.303 -4.350 258 HA PRO 45 HA PRO 45 -14.580 -1.614 -0.784 259 HB2 PRO 45 HB2 PRO 45 -13.938 -3.337 -2.810 260 HB3 PRO 45 HB1 PRO 45 -15.595 -2.875 -2.404 261 HG2 PRO 45 HG2 PRO 45 -13.796 -1.799 -4.543 262 HG3 PRO 45 HG1 PRO 45 -15.516 -2.222 -4.637 263 HD2 PRO 45 HD2 PRO 45 -14.713 0.323 -4.385 264 HD3 PRO 45 HD1 PRO 45 -16.184 -0.266 -3.582 265 H THR 46 HN THR 46 -12.880 -3.062 -0.212 266 HA THR 46 HA THR 46 -10.363 -1.843 -0.024 267 HB THR 46 HB THR 46 -10.635 -4.797 0.274 268 HG1 THR 46 HG1 THR 46 -12.381 -4.496 1.449 269 HG21 THR 46 HG21 THR 46 -9.289 -4.421 2.253 270 HG22 THR 46 HG22 THR 46 -9.457 -2.676 2.073 271 HG23 THR 46 HG23 THR 46 -8.544 -3.603 0.880 272 H SER 47 HN SER 47 -11.593 -4.372 -2.152 273 HA SER 47 HA SER 47 -9.197 -5.275 -3.228 274 HB2 SER 47 HB2 SER 47 -11.810 -5.091 -4.729 275 HB3 SER 47 HB1 SER 47 -10.528 -6.287 -4.929 276 HG SER 47 HG SER 47 -12.322 -7.049 -3.673 277 H SER 48 HN SER 48 -11.279 -2.604 -4.259 278 HA SER 48 HA SER 48 -9.886 -1.904 -6.582 279 HB2 SER 48 HB2 SER 48 -11.518 -0.214 -4.680 280 HB3 SER 48 HB1 SER 48 -11.024 0.267 -6.293 281 HG SER 48 HG SER 48 -12.839 -0.635 -6.859 282 H LYS 49 HN LYS 49 -9.631 -0.765 -3.246 283 HA LYS 49 HA LYS 49 -7.684 1.200 -3.575 284 HB2 LYS 49 HB2 LYS 49 -7.894 -0.657 -1.205 285 HB3 LYS 49 HB1 LYS 49 -7.257 0.979 -1.217 286 HG2 LYS 49 HG2 LYS 49 -9.471 1.867 -1.620 287 HG3 LYS 49 HG1 LYS 49 -10.130 0.231 -1.711 288 HD2 LYS 49 HD2 LYS 49 -9.255 -0.119 0.636 289 HD3 LYS 49 HD1 LYS 49 -8.940 1.617 0.685 290 HE2 LYS 49 HE2 LYS 49 -11.300 2.064 0.268 291 HE3 LYS 49 HE1 LYS 49 -11.617 0.332 0.175 292 HZ1 LYS 49 HZ1 LYS 49 -12.210 1.228 2.336 293 HZ2 LYS 49 HZ2 LYS 49 -10.630 1.775 2.576 294 HZ3 LYS 49 HZ3 LYS 49 -10.945 0.120 2.486 295 H VAL 50 HN VAL 50 -7.351 -2.252 -2.853 296 HA VAL 50 HA VAL 50 -4.537 -2.238 -2.566 297 HB VAL 50 HB VAL 50 -6.346 -4.546 -3.300 298 HG11 VAL 50 HG11 VAL 50 -4.542 -5.975 -2.459 299 HG12 VAL 50 HG12 VAL 50 -3.528 -4.551 -2.224 300 HG13 VAL 50 HG13 VAL 50 -4.020 -5.023 -3.849 301 HG21 VAL 50 HG21 VAL 50 -5.293 -3.643 -0.623 302 HG22 VAL 50 HG22 VAL 50 -6.243 -5.100 -0.918 303 HG23 VAL 50 HG23 VAL 50 -6.960 -3.509 -1.183 304 H HIS 51 HN HIS 51 -6.620 -2.993 -5.334 305 HA HIS 51 HA HIS 51 -4.530 -3.825 -7.049 306 HB2 HIS 51 HB2 HIS 51 -7.340 -2.874 -7.567 307 HB3 HIS 51 HB1 HIS 51 -6.247 -3.278 -8.886 308 HD1 HIS 51 HD1 HIS 51 -7.853 -5.231 -9.543 309 HD2 HIS 51 HD2 HIS 51 -6.126 -5.599 -5.782 310 HE1 HIS 51 HE1 HIS 51 -8.244 -7.615 -8.850 311 HE2 HIS 51 HE2 HIS 51 -7.074 -7.854 -6.632 312 H PHE 52 HN PHE 52 -6.036 -0.685 -6.466 313 HA PHE 52 HA PHE 52 -4.746 0.705 -8.554 314 HB2 PHE 52 HB2 PHE 52 -6.702 1.569 -7.264 315 HB3 PHE 52 HB1 PHE 52 -5.640 1.814 -5.882 316 HD1 PHE 52 HD1 PHE 52 -3.872 3.539 -5.971 317 HD2 PHE 52 HD2 PHE 52 -6.723 3.080 -9.097 318 HE1 PHE 52 HE1 PHE 52 -3.307 5.780 -6.812 319 HE2 PHE 52 HE2 PHE 52 -6.159 5.319 -9.943 320 HZ PHE 52 HZ PHE 52 -4.448 6.670 -8.801 321 H LEU 53 HN LEU 53 -3.857 0.116 -5.178 322 HA LEU 53 HA LEU 53 -1.523 1.703 -5.185 323 HB2 LEU 53 HB2 LEU 53 -2.217 -0.683 -3.476 324 HB3 LEU 53 HB1 LEU 53 -0.902 0.433 -3.162 325 HG LEU 53 HG LEU 53 -3.843 1.107 -3.146 326 HD11 LEU 53 HD11 LEU 53 -1.818 0.833 -0.935 327 HD12 LEU 53 HD12 LEU 53 -3.237 -0.178 -1.215 328 HD13 LEU 53 HD13 LEU 53 -3.435 1.508 -0.741 329 HD21 LEU 53 HD21 LEU 53 -1.428 2.831 -2.616 330 HD22 LEU 53 HD22 LEU 53 -3.097 3.296 -2.292 331 HD23 LEU 53 HD23 LEU 53 -2.573 2.995 -3.948 332 H LYS 54 HN LYS 54 -2.093 -1.706 -5.904 333 HA LYS 54 HA LYS 54 0.575 -2.464 -6.314 334 HB2 LYS 54 HB2 LYS 54 -1.079 -4.174 -6.217 335 HB3 LYS 54 HB1 LYS 54 -2.014 -3.445 -7.511 336 HG2 LYS 54 HG2 LYS 54 -0.827 -5.484 -8.210 337 HG3 LYS 54 HG1 LYS 54 -0.349 -4.062 -9.135 338 HD2 LYS 54 HD2 LYS 54 1.609 -5.357 -8.601 339 HD3 LYS 54 HD1 LYS 54 1.650 -3.845 -7.695 340 HE2 LYS 54 HE2 LYS 54 0.808 -5.024 -5.716 341 HE3 LYS 54 HE1 LYS 54 0.796 -6.533 -6.629 342 HZ1 LYS 54 HZ1 LYS 54 2.778 -6.370 -5.295 343 HZ2 LYS 54 HZ2 LYS 54 3.186 -4.890 -6.001 344 HZ3 LYS 54 HZ3 LYS 54 3.193 -6.304 -6.930 345 H SER 55 HN SER 55 -1.803 -1.002 -8.486 346 HA SER 55 HA SER 55 -0.130 -0.996 -10.780 347 HB2 SER 55 HB2 SER 55 -2.635 -0.820 -10.800 348 HB3 SER 55 HB1 SER 55 -2.474 0.828 -10.201 349 HG SER 55 HG SER 55 -0.883 0.491 -12.338 350 H LYS 56 HN LYS 56 -0.144 0.879 -7.944 351 HA LYS 56 HA LYS 56 1.191 3.163 -9.109 352 HB2 LYS 56 HB2 LYS 56 0.485 2.353 -6.299 353 HB3 LYS 56 HB1 LYS 56 1.506 3.737 -6.628 354 HG2 LYS 56 HG2 LYS 56 -1.122 3.572 -7.998 355 HG3 LYS 56 HG1 LYS 56 -1.092 3.978 -6.284 356 HD2 LYS 56 HD2 LYS 56 -1.102 6.001 -7.627 357 HD3 LYS 56 HD1 LYS 56 0.430 5.850 -6.768 358 HE2 LYS 56 HE2 LYS 56 1.533 5.091 -8.764 359 HE3 LYS 56 HE1 LYS 56 0.003 5.033 -9.637 360 HZ1 LYS 56 HZ1 LYS 56 1.304 7.012 -10.170 361 HZ2 LYS 56 HZ2 LYS 56 1.257 7.498 -8.550 362 HZ3 LYS 56 HZ3 LYS 56 -0.171 7.421 -9.451 363 H GLY 57 HN GLY 57 2.090 0.073 -8.408 364 HA2 GLY 57 HA2 GLY 57 4.270 -0.741 -8.782 365 HA3 GLY 57 HA1 GLY 57 4.908 0.846 -8.384 366 H LEU 58 HN LEU 58 2.542 -0.373 -6.232 367 HA LEU 58 HA LEU 58 4.572 -0.634 -4.176 368 HB2 LEU 58 HB2 LEU 58 1.621 -0.350 -4.203 369 HB3 LEU 58 HB1 LEU 58 2.340 -1.168 -2.832 370 HG LEU 58 HG LEU 58 3.862 0.912 -2.663 371 HD11 LEU 58 HD11 LEU 58 3.287 1.900 -4.804 372 HD12 LEU 58 HD12 LEU 58 2.843 2.976 -3.478 373 HD13 LEU 58 HD13 LEU 58 1.600 2.035 -4.305 374 HD21 LEU 58 HD21 LEU 58 2.168 0.296 -1.034 375 HD22 LEU 58 HD22 LEU 58 0.927 1.074 -2.017 376 HD23 LEU 58 HD23 LEU 58 2.204 2.042 -1.280 377 H SER 59 HN SER 59 4.828 -2.392 -2.833 378 HA SER 59 HA SER 59 4.152 -4.978 -4.002 379 HB2 SER 59 HB2 SER 59 5.787 -4.425 -1.523 380 HB3 SER 59 HB1 SER 59 5.821 -5.867 -2.539 381 HG SER 59 HG SER 59 6.722 -3.254 -3.198 382 H ALA 60 HN ALA 60 3.413 -6.710 -2.454 383 HA ALA 60 HA ALA 60 0.994 -6.014 -1.246 384 HB1 ALA 60 HB1 ALA 60 0.994 -8.279 -0.327 385 HB2 ALA 60 HB2 ALA 60 2.699 -8.449 -0.740 386 HB3 ALA 60 HB3 ALA 60 1.497 -8.272 -2.018 387 H GLU 61 HN GLU 61 4.223 -6.394 0.102 388 HA GLU 61 HA GLU 61 3.569 -6.199 2.833 389 HB2 GLU 61 HB2 GLU 61 6.096 -5.052 1.663 390 HB3 GLU 61 HB1 GLU 61 5.858 -5.780 3.242 391 HG2 GLU 61 HG2 GLU 61 7.027 -7.415 2.140 392 HG3 GLU 61 HG1 GLU 61 5.362 -7.936 1.882 393 H GLU 62 HN GLU 62 4.442 -3.743 0.457 394 HA GLU 62 HA GLU 62 4.419 -1.549 2.226 395 HB2 GLU 62 HB2 GLU 62 4.017 -1.584 -0.769 396 HB3 GLU 62 HB1 GLU 62 4.449 -0.177 0.198 397 HG2 GLU 62 HG2 GLU 62 6.559 -1.171 0.791 398 HG3 GLU 62 HG1 GLU 62 6.123 -2.668 -0.029 399 H ILE 63 HN ILE 63 1.978 -2.937 0.092 400 HA ILE 63 HA ILE 63 -0.053 -1.036 0.563 401 HB ILE 63 HB ILE 63 -0.293 -3.964 -0.162 402 HG12 ILE 63 HG12 ILE 63 -0.408 -1.522 -1.946 403 HG13 ILE 63 HG11 ILE 63 1.029 -2.517 -1.732 404 HG21 ILE 63 HG21 ILE 63 -2.520 -3.337 -1.031 405 HG22 ILE 63 HG22 ILE 63 -2.320 -1.740 -0.316 406 HG23 ILE 63 HG23 ILE 63 -2.390 -3.165 0.717 407 HD11 ILE 63 HD11 ILE 63 -1.604 -3.438 -2.861 408 HD12 ILE 63 HD12 ILE 63 -0.166 -4.437 -2.645 409 HD13 ILE 63 HD13 ILE 63 -0.140 -3.085 -3.778 410 H CYS 64 HN CYS 64 0.703 -4.135 2.115 411 HA CYS 64 HA CYS 64 -1.415 -4.277 3.915 412 HB2 CYS 64 HB2 CYS 64 0.033 -6.165 3.565 413 HB3 CYS 64 HB1 CYS 64 1.436 -5.261 4.119 414 HG CYS 64 HG CYS 64 -1.182 -5.971 6.203 415 H GLU 65 HN GLU 65 1.752 -2.729 4.276 416 HA GLU 65 HA GLU 65 1.350 -1.914 6.950 417 HB2 GLU 65 HB2 GLU 65 3.579 -2.103 6.153 418 HB3 GLU 65 HB1 GLU 65 3.258 -1.037 4.792 419 HG2 GLU 65 HG2 GLU 65 3.188 0.856 6.154 420 HG3 GLU 65 HG1 GLU 65 3.079 -0.100 7.631 421 H ALA 66 HN ALA 66 0.988 -0.231 3.839 422 HA ALA 66 HA ALA 66 0.318 2.287 4.809 423 HB1 ALA 66 HB1 ALA 66 -0.687 2.691 2.637 424 HB2 ALA 66 HB2 ALA 66 -0.689 0.958 2.305 425 HB3 ALA 66 HB3 ALA 66 0.839 1.822 2.468 426 H PHE 67 HN PHE 67 -1.755 -0.502 4.142 427 HA PHE 67 HA PHE 67 -4.211 0.696 4.731 428 HB2 PHE 67 HB2 PHE 67 -3.181 -2.063 4.562 429 HB3 PHE 67 HB1 PHE 67 -4.609 -1.854 5.570 430 HD1 PHE 67 HD1 PHE 67 -6.687 -1.045 4.620 431 HD2 PHE 67 HD2 PHE 67 -3.291 -1.800 2.182 432 HE1 PHE 67 HE1 PHE 67 -8.125 -1.021 2.631 433 HE2 PHE 67 HE2 PHE 67 -4.723 -1.776 0.179 434 HZ PHE 67 HZ PHE 67 -7.144 -1.387 0.404 435 H THR 68 HN THR 68 -1.892 -0.956 6.831 436 HA THR 68 HA THR 68 -3.442 -0.737 9.183 437 HB THR 68 HB THR 68 -0.429 -0.905 9.004 438 HG1 THR 68 HG1 THR 68 -1.295 -2.627 7.834 439 HG21 THR 68 HG21 THR 68 -1.293 -0.377 11.235 440 HG22 THR 68 HG22 THR 68 -0.624 -2.009 11.186 441 HG23 THR 68 HG23 THR 68 -2.372 -1.771 11.150 442 H LYS 69 HN LYS 69 -1.158 1.346 7.572 443 HA LYS 69 HA LYS 69 -0.756 3.286 9.542 444 HB2 LYS 69 HB2 LYS 69 -0.739 3.402 6.539 445 HB3 LYS 69 HB1 LYS 69 -0.323 4.786 7.533 446 HG2 LYS 69 HG2 LYS 69 1.070 2.156 7.840 447 HG3 LYS 69 HG1 LYS 69 1.571 3.341 6.637 448 HD2 LYS 69 HD2 LYS 69 1.329 3.899 9.584 449 HD3 LYS 69 HD1 LYS 69 2.836 3.478 8.768 450 HE2 LYS 69 HE2 LYS 69 2.679 5.451 7.389 451 HE3 LYS 69 HE1 LYS 69 1.110 5.847 8.081 452 HZ1 LYS 69 HZ1 LYS 69 2.176 6.123 10.233 453 HZ2 LYS 69 HZ2 LYS 69 2.853 7.161 9.084 454 HZ3 LYS 69 HZ3 LYS 69 3.685 5.766 9.553 455 H VAL 70 HN VAL 70 -3.374 2.856 7.217 456 HA VAL 70 HA VAL 70 -4.493 5.454 7.900 457 HB VAL 70 HB VAL 70 -6.159 5.066 6.186 458 HG11 VAL 70 HG11 VAL 70 -3.504 4.189 5.077 459 HG12 VAL 70 HG12 VAL 70 -3.823 5.831 5.627 460 HG13 VAL 70 HG13 VAL 70 -4.750 5.157 4.294 461 HG21 VAL 70 HG21 VAL 70 -6.520 2.668 6.507 462 HG22 VAL 70 HG22 VAL 70 -4.921 2.335 5.837 463 HG23 VAL 70 HG23 VAL 70 -6.175 3.042 4.818 464 H GLY 71 HN GLY 71 -4.506 2.638 9.440 465 HA2 GLY 71 HA2 GLY 71 -5.761 2.304 11.411 466 HA3 GLY 71 HA1 GLY 71 -7.041 3.299 10.737 467 H GLN 72 HN GLN 72 -5.841 1.011 8.548 468 HA GLN 72 HA GLN 72 -8.046 -0.836 9.202 469 HB2 GLN 72 HB2 GLN 72 -8.507 0.396 7.139 470 HB3 GLN 72 HB1 GLN 72 -6.933 -0.048 6.497 471 HG2 GLN 72 HG2 GLN 72 -8.406 -1.477 5.421 472 HG3 GLN 72 HG1 GLN 72 -7.726 -2.464 6.711 473 HE21 GLN 72 HE21 GLN 72 -10.513 -0.785 5.549 474 HE22 GLN 72 HE22 GLN 72 -11.660 -1.542 6.598 475 HA PRO 73 HA PRO 73 -4.138 -3.175 9.544 476 HB2 PRO 73 HB2 PRO 73 -5.034 -4.927 11.420 477 HB3 PRO 73 HB1 PRO 73 -4.361 -3.342 11.809 478 HG2 PRO 73 HG2 PRO 73 -7.199 -4.227 11.724 479 HG3 PRO 73 HG1 PRO 73 -6.416 -3.066 12.806 480 HD2 PRO 73 HD2 PRO 73 -7.980 -2.372 10.650 481 HD3 PRO 73 HD1 PRO 73 -6.734 -1.328 11.359 482 H LYS 74 HN LYS 74 -4.147 -4.163 7.608 483 HA LYS 74 HA LYS 74 -5.828 -6.556 7.297 484 HB2 LYS 74 HB2 LYS 74 -4.515 -4.773 5.245 485 HB3 LYS 74 HB1 LYS 74 -5.169 -6.354 4.847 486 HG2 LYS 74 HG2 LYS 74 -6.738 -4.052 5.985 487 HG3 LYS 74 HG1 LYS 74 -6.715 -4.547 4.292 488 HD2 LYS 74 HD2 LYS 74 -7.570 -6.774 4.992 489 HD3 LYS 74 HD1 LYS 74 -7.712 -6.157 6.639 490 HE2 LYS 74 HE2 LYS 74 -9.241 -4.405 5.811 491 HE3 LYS 74 HE1 LYS 74 -9.145 -5.116 4.202 492 HZ1 LYS 74 HZ1 LYS 74 -10.160 -6.502 6.625 493 HZ2 LYS 74 HZ2 LYS 74 -10.097 -7.147 5.065 494 HZ3 LYS 74 HZ3 LYS 74 -11.122 -5.846 5.397 495 H THR 75 HN THR 75 -4.873 -8.502 7.000 496 HA THR 75 HA THR 75 -2.086 -8.728 7.621 497 HB THR 75 HB THR 75 -2.488 -11.185 7.246 498 HG1 THR 75 HG1 THR 75 -5.244 -10.704 7.219 499 HG21 THR 75 HG21 THR 75 -4.360 -9.751 9.131 500 HG22 THR 75 HG22 THR 75 -2.691 -10.209 9.466 501 HG23 THR 75 HG23 THR 75 -3.918 -11.454 9.234 502 H LEU 76 HN LEU 76 -0.552 -9.903 6.277 503 HA LEU 76 HA LEU 76 -0.380 -8.858 3.673 504 HB2 LEU 76 HB2 LEU 76 1.558 -9.527 5.058 505 HB3 LEU 76 HB1 LEU 76 1.089 -11.206 4.879 506 HG LEU 76 HG LEU 76 1.479 -11.048 2.450 507 HD11 LEU 76 HD11 LEU 76 2.456 -8.273 3.101 508 HD12 LEU 76 HD12 LEU 76 1.027 -8.680 2.152 509 HD13 LEU 76 HD13 LEU 76 2.633 -9.088 1.547 510 HD21 LEU 76 HD21 LEU 76 3.910 -10.944 2.560 511 HD22 LEU 76 HD22 LEU 76 3.255 -11.822 3.941 512 HD23 LEU 76 HD23 LEU 76 3.815 -10.162 4.137 513 H ASN 77 HN ASN 77 -1.562 -11.860 4.974 514 HA ASN 77 HA ASN 77 -1.819 -13.386 2.654 515 HB2 ASN 77 HB2 ASN 77 -2.147 -14.243 4.951 516 HB3 ASN 77 HB1 ASN 77 -3.652 -13.343 5.058 517 HD21 ASN 77 HD21 ASN 77 -2.031 -16.034 3.552 518 HD22 ASN 77 HD22 ASN 77 -3.461 -16.839 3.002 519 H GLU 78 HN GLU 78 -4.075 -11.091 4.147 520 HA GLU 78 HA GLU 78 -6.185 -11.385 2.328 521 HB2 GLU 78 HB2 GLU 78 -5.302 -9.022 3.983 522 HB3 GLU 78 HB1 GLU 78 -6.742 -8.984 2.977 523 HG2 GLU 78 HG2 GLU 78 -6.229 -10.874 5.248 524 HG3 GLU 78 HG1 GLU 78 -7.284 -9.466 5.291 525 H ILE 79 HN ILE 79 -3.440 -9.149 2.320 526 HA ILE 79 HA ILE 79 -4.179 -7.709 0.033 527 HB ILE 79 HB ILE 79 -1.370 -8.219 1.025 528 HG12 ILE 79 HG12 ILE 79 -2.733 -7.340 2.836 529 HG13 ILE 79 HG11 ILE 79 -1.653 -6.080 2.255 530 HG21 ILE 79 HG21 ILE 79 -0.846 -6.086 -0.058 531 HG22 ILE 79 HG22 ILE 79 -2.500 -5.991 -0.662 532 HG23 ILE 79 HG23 ILE 79 -1.431 -7.280 -1.216 533 HD11 ILE 79 HD11 ILE 79 -4.581 -6.349 1.613 534 HD12 ILE 79 HD12 ILE 79 -3.506 -5.100 0.982 535 HD13 ILE 79 HD13 ILE 79 -3.848 -5.180 2.711 536 H LYS 80 HN LYS 80 -2.097 -10.568 0.400 537 HA LYS 80 HA LYS 80 -1.418 -10.825 -2.321 538 HB2 LYS 80 HB2 LYS 80 -1.614 -12.886 -0.127 539 HB3 LYS 80 HB1 LYS 80 -1.001 -13.241 -1.737 540 HG2 LYS 80 HG2 LYS 80 0.700 -11.446 -1.377 541 HG3 LYS 80 HG1 LYS 80 0.170 -11.376 0.304 542 HD2 LYS 80 HD2 LYS 80 0.777 -13.677 0.649 543 HD3 LYS 80 HD1 LYS 80 1.147 -13.878 -1.064 544 HE2 LYS 80 HE2 LYS 80 2.951 -12.213 -0.839 545 HE3 LYS 80 HE1 LYS 80 2.603 -12.101 0.887 546 HZ1 LYS 80 HZ1 LYS 80 4.451 -13.584 0.461 547 HZ2 LYS 80 HZ2 LYS 80 3.492 -14.543 -0.547 548 HZ3 LYS 80 HZ3 LYS 80 3.146 -14.447 1.105 549 H ARG 81 HN ARG 81 -4.050 -12.209 -0.421 550 HA ARG 81 HA ARG 81 -5.224 -13.772 -2.436 551 HB2 ARG 81 HB2 ARG 81 -5.859 -14.061 -0.127 552 HB3 ARG 81 HB1 ARG 81 -6.451 -12.410 -0.034 553 HG2 ARG 81 HG2 ARG 81 -8.317 -13.903 -0.173 554 HG3 ARG 81 HG1 ARG 81 -8.209 -12.987 -1.675 555 HD2 ARG 81 HD2 ARG 81 -7.156 -14.883 -2.778 556 HD3 ARG 81 HD1 ARG 81 -7.187 -15.798 -1.271 557 HE ARG 81 HE ARG 81 -9.799 -14.969 -1.890 558 HH11 ARG 81 HH11 ARG 81 -7.362 -17.201 -3.056 559 HH12 ARG 81 HH12 ARG 81 -8.519 -18.310 -3.719 560 HH21 ARG 81 HH21 ARG 81 -11.317 -16.428 -2.755 561 HH22 ARG 81 HH22 ARG 81 -10.770 -17.876 -3.538 562 H ILE 82 HN ILE 82 -5.776 -10.406 -1.510 563 HA ILE 82 HA ILE 82 -7.893 -9.916 -3.317 564 HB ILE 82 HB ILE 82 -5.934 -8.005 -2.041 565 HG12 ILE 82 HG12 ILE 82 -8.810 -8.532 -1.291 566 HG13 ILE 82 HG11 ILE 82 -7.477 -9.442 -0.591 567 HG21 ILE 82 HG21 ILE 82 -6.953 -7.019 -4.037 568 HG22 ILE 82 HG22 ILE 82 -7.542 -6.244 -2.566 569 HG23 ILE 82 HG23 ILE 82 -8.556 -7.412 -3.413 570 HD11 ILE 82 HD11 ILE 82 -8.149 -7.683 0.901 571 HD12 ILE 82 HD12 ILE 82 -7.932 -6.476 -0.368 572 HD13 ILE 82 HD13 ILE 82 -6.536 -7.341 0.275 573 H LEU 83 HN LEU 83 -4.395 -9.646 -3.593 574 HA LEU 83 HA LEU 83 -4.495 -8.402 -6.175 575 HB2 LEU 83 HB2 LEU 83 -2.258 -9.638 -4.587 576 HB3 LEU 83 HB1 LEU 83 -2.022 -8.961 -6.187 577 HG LEU 83 HG LEU 83 -3.051 -7.410 -3.809 578 HD11 LEU 83 HD11 LEU 83 -0.309 -7.470 -5.059 579 HD12 LEU 83 HD12 LEU 83 -0.743 -8.073 -3.460 580 HD13 LEU 83 HD13 LEU 83 -0.843 -6.347 -3.810 581 HD21 LEU 83 HD21 LEU 83 -2.566 -5.460 -5.250 582 HD22 LEU 83 HD22 LEU 83 -3.840 -6.493 -5.894 583 HD23 LEU 83 HD23 LEU 83 -2.217 -6.564 -6.580 584 H SER 84 HN SER 84 -4.514 -11.659 -5.004 585 HA SER 84 HA SER 84 -3.706 -12.779 -7.541 586 HB2 SER 84 HB2 SER 84 -4.283 -14.970 -6.466 587 HB3 SER 84 HB1 SER 84 -3.099 -14.024 -5.566 588 HG SER 84 HG SER 84 -5.740 -13.558 -4.889 Start of MODEL 7 1 H1 LYS 15 HT1 LYS 15 25.542 -4.202 0.531 2 H2 LYS 15 HT2 LYS 15 25.815 -5.816 0.951 3 H3 LYS 15 HT3 LYS 15 25.867 -4.612 2.138 4 HA LYS 15 HA LYS 15 23.824 -5.894 2.233 5 HB2 LYS 15 HB2 LYS 15 22.277 -3.972 2.245 6 HB3 LYS 15 HB1 LYS 15 23.803 -3.586 3.021 7 HG2 LYS 15 HG2 LYS 15 24.517 -2.483 0.902 8 HG3 LYS 15 HG1 LYS 15 22.882 -2.737 0.285 9 HD2 LYS 15 HD2 LYS 15 21.982 -1.434 2.155 10 HD3 LYS 15 HD1 LYS 15 23.617 -1.182 2.767 11 HE2 LYS 15 HE2 LYS 15 23.018 0.788 1.592 12 HE3 LYS 15 HE1 LYS 15 24.157 -0.086 0.569 13 HZ1 LYS 15 HZ1 LYS 15 22.334 0.737 -0.739 14 HZ2 LYS 15 HZ2 LYS 15 21.205 -0.024 0.261 15 HZ3 LYS 15 HZ3 LYS 15 22.250 -0.956 -0.693 16 HA PRO 16 HA PRO 16 22.123 -7.230 -1.617 17 HB2 PRO 16 HB2 PRO 16 19.634 -7.945 -0.793 18 HB3 PRO 16 HB1 PRO 16 21.074 -8.909 -0.451 19 HG2 PRO 16 HG2 PRO 16 19.629 -6.971 1.311 20 HG3 PRO 16 HG1 PRO 16 20.301 -8.564 1.714 21 HD2 PRO 16 HD2 PRO 16 21.569 -6.251 2.322 22 HD3 PRO 16 HD1 PRO 16 22.445 -7.742 1.925 23 H GLU 17 HN GLU 17 21.358 -6.073 -3.254 24 HA GLU 17 HA GLU 17 19.685 -3.752 -2.685 25 HB2 GLU 17 HB2 GLU 17 21.165 -4.547 -5.198 26 HB3 GLU 17 HB1 GLU 17 20.201 -3.088 -5.021 27 HG2 GLU 17 HG2 GLU 17 22.685 -3.777 -3.469 28 HG3 GLU 17 HG1 GLU 17 22.558 -2.601 -4.775 29 H VAL 18 HN VAL 18 17.693 -4.616 -2.408 30 HA VAL 18 HA VAL 18 16.561 -6.281 -4.518 31 HB VAL 18 HB VAL 18 15.311 -5.382 -1.920 32 HG11 VAL 18 HG11 VAL 18 13.662 -5.977 -3.607 33 HG12 VAL 18 HG12 VAL 18 13.706 -7.188 -2.326 34 HG13 VAL 18 HG13 VAL 18 14.476 -7.518 -3.877 35 HG21 VAL 18 HG21 VAL 18 16.620 -8.016 -2.597 36 HG22 VAL 18 HG22 VAL 18 15.830 -7.604 -1.074 37 HG23 VAL 18 HG23 VAL 18 17.306 -6.767 -1.558 38 H GLU 19 HN GLU 19 15.666 -3.390 -2.718 39 HA GLU 19 HA GLU 19 14.159 -2.433 -5.042 40 HB2 GLU 19 HB2 GLU 19 14.208 -1.480 -2.175 41 HB3 GLU 19 HB1 GLU 19 13.226 -0.771 -3.449 42 HG2 GLU 19 HG2 GLU 19 13.006 -3.558 -2.334 43 HG3 GLU 19 HG1 GLU 19 11.871 -2.230 -2.105 44 H HIS 20 HN HIS 20 14.303 0.274 -4.793 45 HA HIS 20 HA HIS 20 17.024 0.722 -5.655 46 HB2 HIS 20 HB2 HIS 20 14.642 2.573 -5.503 47 HB3 HIS 20 HB1 HIS 20 16.222 3.054 -6.115 48 HD1 HIS 20 HD1 HIS 20 13.071 1.996 -7.312 49 HD2 HIS 20 HD2 HIS 20 17.006 1.097 -8.332 50 HE1 HIS 20 HE1 HIS 20 12.977 1.064 -9.649 51 HE2 HIS 20 HE2 HIS 20 15.372 0.587 -10.270 52 H THR 21 HN THR 21 14.954 1.824 -2.998 53 HA THR 21 HA THR 21 17.150 2.094 -1.238 54 HB THR 21 HB THR 21 17.628 4.116 -2.521 55 HG1 THR 21 HG1 THR 21 18.171 4.566 -0.492 56 HG21 THR 21 HG21 THR 21 15.371 4.556 -3.375 57 HG22 THR 21 HG22 THR 21 16.064 5.984 -2.608 58 HG23 THR 21 HG23 THR 21 14.854 5.027 -1.757 59 H HIS 22 HN HIS 22 16.486 2.912 0.896 60 HA HIS 22 HA HIS 22 13.974 1.966 1.728 61 HB2 HIS 22 HB2 HIS 22 15.913 3.851 3.064 62 HB3 HIS 22 HB1 HIS 22 14.449 3.277 3.842 63 HD1 HIS 22 HD1 HIS 22 17.929 2.516 3.613 64 HD2 HIS 22 HD2 HIS 22 14.441 0.270 3.903 65 HE1 HIS 22 HE1 HIS 22 18.643 0.253 4.446 66 HE2 HIS 22 HE2 HIS 22 16.515 -1.076 4.652 67 H SER 23 HN SER 23 15.079 5.142 0.739 68 HA SER 23 HA SER 23 12.869 6.641 1.608 69 HB2 SER 23 HB2 SER 23 15.071 7.560 0.775 70 HB3 SER 23 HB1 SER 23 14.534 7.188 -0.861 71 HG SER 23 HG SER 23 13.301 8.961 0.989 72 H GLU 24 HN GLU 24 13.375 4.563 -1.132 73 HA GLU 24 HA GLU 24 11.149 5.461 -2.659 74 HB2 GLU 24 HB2 GLU 24 12.883 4.342 -3.843 75 HB3 GLU 24 HB1 GLU 24 12.834 2.965 -2.751 76 HG2 GLU 24 HG2 GLU 24 10.661 2.327 -3.605 77 HG3 GLU 24 HG1 GLU 24 10.632 3.749 -4.647 78 H ARG 25 HN ARG 25 11.696 2.684 -0.500 79 HA ARG 25 HA ARG 25 9.064 1.689 -0.766 80 HB2 ARG 25 HB2 ARG 25 9.573 0.157 0.940 81 HB3 ARG 25 HB1 ARG 25 11.111 0.444 0.144 82 HG2 ARG 25 HG2 ARG 25 11.856 1.844 1.923 83 HG3 ARG 25 HG1 ARG 25 10.258 1.837 2.669 84 HD2 ARG 25 HD2 ARG 25 10.497 -0.644 2.934 85 HD3 ARG 25 HD1 ARG 25 12.167 -0.474 2.398 86 HE ARG 25 HE ARG 25 11.817 1.309 4.492 87 HH11 ARG 25 HH11 ARG 25 11.718 -2.158 4.006 88 HH12 ARG 25 HH12 ARG 25 12.147 -2.526 5.647 89 HH21 ARG 25 HH21 ARG 25 12.390 0.828 6.634 90 HH22 ARG 25 HH22 ARG 25 12.543 -0.825 7.138 91 H GLU 26 HN GLU 26 10.576 3.987 1.424 92 HA GLU 26 HA GLU 26 8.469 4.323 3.231 93 HB2 GLU 26 HB2 GLU 26 10.761 5.125 3.571 94 HB3 GLU 26 HB1 GLU 26 10.552 6.285 2.268 95 HG2 GLU 26 HG2 GLU 26 10.354 7.387 4.356 96 HG3 GLU 26 HG1 GLU 26 8.783 7.379 3.567 97 H LYS 27 HN LYS 27 9.229 6.046 0.200 98 HA LYS 27 HA LYS 27 7.047 7.848 0.477 99 HB2 LYS 27 HB2 LYS 27 7.559 8.641 -1.718 100 HB3 LYS 27 HB1 LYS 27 9.075 8.337 -0.888 101 HG2 LYS 27 HG2 LYS 27 9.320 6.233 -2.100 102 HG3 LYS 27 HG1 LYS 27 7.792 6.537 -2.933 103 HD2 LYS 27 HD2 LYS 27 8.740 8.593 -3.887 104 HD3 LYS 27 HD1 LYS 27 10.269 8.258 -3.074 105 HE2 LYS 27 HE2 LYS 27 10.426 6.137 -4.339 106 HE3 LYS 27 HE1 LYS 27 8.948 6.569 -5.196 107 HZ1 LYS 27 HZ1 LYS 27 10.895 7.132 -6.491 108 HZ2 LYS 27 HZ2 LYS 27 11.491 8.100 -5.241 109 HZ3 LYS 27 HZ3 LYS 27 10.071 8.540 -6.045 110 H ARG 28 HN ARG 28 7.416 4.706 -1.048 111 HA ARG 28 HA ARG 28 5.033 4.734 -2.543 112 HB2 ARG 28 HB2 ARG 28 6.523 2.431 -1.284 113 HB3 ARG 28 HB1 ARG 28 5.141 2.233 -2.348 114 HG2 ARG 28 HG2 ARG 28 6.408 3.466 -4.104 115 HG3 ARG 28 HG1 ARG 28 7.812 3.418 -3.036 116 HD2 ARG 28 HD2 ARG 28 6.323 1.058 -4.175 117 HD3 ARG 28 HD1 ARG 28 7.932 1.610 -4.628 118 HE ARG 28 HE ARG 28 7.486 0.809 -1.844 119 HH11 ARG 28 HH11 ARG 28 8.888 0.101 -4.981 120 HH12 ARG 28 HH12 ARG 28 9.913 -1.171 -4.377 121 HH21 ARG 28 HH21 ARG 28 8.811 -0.846 -1.055 122 HH22 ARG 28 HH22 ARG 28 9.863 -1.708 -2.141 123 H VAL 29 HN VAL 29 5.699 3.591 0.756 124 HA VAL 29 HA VAL 29 3.023 2.900 1.341 125 HB VAL 29 HB VAL 29 5.211 3.730 3.256 126 HG11 VAL 29 HG11 VAL 29 2.617 2.272 3.758 127 HG12 VAL 29 HG12 VAL 29 3.022 3.902 4.298 128 HG13 VAL 29 HG13 VAL 29 3.898 2.514 4.945 129 HG21 VAL 29 HG21 VAL 29 4.330 1.005 2.315 130 HG22 VAL 29 HG22 VAL 29 5.522 1.315 3.578 131 HG23 VAL 29 HG23 VAL 29 5.847 1.810 1.916 132 H SER 30 HN SER 30 4.877 5.887 1.746 133 HA SER 30 HA SER 30 2.964 7.392 3.112 134 HB2 SER 30 HB2 SER 30 4.943 8.359 1.031 135 HB3 SER 30 HB1 SER 30 4.115 9.373 2.212 136 HG SER 30 HG SER 30 5.701 7.167 3.013 137 H ASN 31 HN ASN 31 3.442 6.989 -0.388 138 HA ASN 31 HA ASN 31 1.315 8.630 -1.220 139 HB2 ASN 31 HB2 ASN 31 2.873 6.424 -2.509 140 HB3 ASN 31 HB1 ASN 31 1.426 7.026 -3.304 141 HD21 ASN 31 HD21 ASN 31 4.678 7.727 -2.356 142 HD22 ASN 31 HD22 ASN 31 4.848 9.185 -3.272 143 H ALA 32 HN ALA 32 1.437 5.246 -0.302 144 HA ALA 32 HA ALA 32 -1.203 4.620 -1.182 145 HB1 ALA 32 HB1 ALA 32 0.439 2.874 -0.937 146 HB2 ALA 32 HB2 ALA 32 -0.913 2.568 0.152 147 HB3 ALA 32 HB3 ALA 32 0.598 3.221 0.783 148 H VAL 33 HN VAL 33 0.211 5.454 1.956 149 HA VAL 33 HA VAL 33 -2.125 5.173 3.488 150 HB VAL 33 HB VAL 33 0.272 6.968 3.922 151 HG11 VAL 33 HG11 VAL 33 -1.601 7.820 5.217 152 HG12 VAL 33 HG12 VAL 33 -0.422 7.048 6.281 153 HG13 VAL 33 HG13 VAL 33 -1.912 6.207 5.858 154 HG21 VAL 33 HG21 VAL 33 1.030 5.238 5.422 155 HG22 VAL 33 HG22 VAL 33 0.725 4.547 3.830 156 HG23 VAL 33 HG23 VAL 33 -0.436 4.303 5.135 157 H GLU 34 HN GLU 34 -0.800 7.967 1.742 158 HA GLU 34 HA GLU 34 -2.784 9.782 2.642 159 HB2 GLU 34 HB2 GLU 34 -1.908 11.317 1.020 160 HB3 GLU 34 HB1 GLU 34 -0.557 10.437 1.722 161 HG2 GLU 34 HG2 GLU 34 -0.385 9.049 -0.225 162 HG3 GLU 34 HG1 GLU 34 -1.821 9.793 -0.925 163 H PHE 35 HN PHE 35 -2.576 7.609 -0.122 164 HA PHE 35 HA PHE 35 -4.874 8.653 -1.465 165 HB2 PHE 35 HB2 PHE 35 -3.150 7.420 -2.680 166 HB3 PHE 35 HB1 PHE 35 -3.463 5.985 -1.712 167 HD1 PHE 35 HD1 PHE 35 -5.010 4.409 -2.418 168 HD2 PHE 35 HD2 PHE 35 -5.059 8.302 -4.137 169 HE1 PHE 35 HE1 PHE 35 -6.662 3.650 -4.075 170 HE2 PHE 35 HE2 PHE 35 -6.714 7.552 -5.795 171 HZ PHE 35 HZ PHE 35 -7.519 5.224 -5.765 172 H LEU 36 HN LEU 36 -4.291 5.920 0.702 173 HA LEU 36 HA LEU 36 -6.895 4.850 0.600 174 HB2 LEU 36 HB2 LEU 36 -4.709 4.669 2.643 175 HB3 LEU 36 HB1 LEU 36 -6.211 3.778 2.787 176 HG LEU 36 HG LEU 36 -4.250 3.511 0.506 177 HD11 LEU 36 HD11 LEU 36 -3.326 2.668 2.602 178 HD12 LEU 36 HD12 LEU 36 -3.701 1.348 1.493 179 HD13 LEU 36 HD13 LEU 36 -4.772 1.690 2.853 180 HD21 LEU 36 HD21 LEU 36 -5.588 1.523 -0.057 181 HD22 LEU 36 HD22 LEU 36 -6.520 3.014 -0.179 182 HD23 LEU 36 HD23 LEU 36 -6.734 1.952 1.213 183 H LEU 37 HN LEU 37 -5.521 7.467 2.412 184 HA LEU 37 HA LEU 37 -7.661 7.531 4.349 185 HB2 LEU 37 HB2 LEU 37 -5.156 9.087 3.899 186 HB3 LEU 37 HB1 LEU 37 -6.408 9.758 4.928 187 HG LEU 37 HG LEU 37 -5.110 7.072 5.355 188 HD11 LEU 37 HD11 LEU 37 -3.982 8.149 7.243 189 HD12 LEU 37 HD12 LEU 37 -4.648 9.705 6.747 190 HD13 LEU 37 HD13 LEU 37 -3.504 8.863 5.703 191 HD21 LEU 37 HD21 LEU 37 -6.223 7.244 7.558 192 HD22 LEU 37 HD22 LEU 37 -7.357 7.163 6.209 193 HD23 LEU 37 HD23 LEU 37 -7.034 8.706 6.991 194 H ASP 38 HN ASP 38 -7.712 8.328 1.252 195 HA ASP 38 HA ASP 38 -8.955 10.924 1.527 196 HB2 ASP 38 HB2 ASP 38 -7.586 10.196 -0.500 197 HB3 ASP 38 HB1 ASP 38 -8.956 9.197 -0.949 198 H SER 39 HN SER 39 -11.124 11.357 1.403 199 HA SER 39 HA SER 39 -12.901 9.483 2.421 200 HB2 SER 39 HB2 SER 39 -13.230 11.943 2.530 201 HB3 SER 39 HB1 SER 39 -13.594 11.950 0.806 202 HG SER 39 HG SER 39 -15.079 10.852 2.940 203 H ARG 40 HN ARG 40 -12.277 10.393 -0.959 204 HA ARG 40 HA ARG 40 -14.505 8.965 -2.014 205 HB2 ARG 40 HB2 ARG 40 -13.509 9.298 -4.197 206 HB3 ARG 40 HB1 ARG 40 -13.356 10.776 -3.260 207 HG2 ARG 40 HG2 ARG 40 -11.029 10.210 -2.758 208 HG3 ARG 40 HG1 ARG 40 -11.189 8.743 -3.722 209 HD2 ARG 40 HD2 ARG 40 -11.636 11.517 -4.803 210 HD3 ARG 40 HD1 ARG 40 -10.093 10.672 -4.885 211 HE ARG 40 HE ARG 40 -12.354 9.251 -6.013 212 HH11 ARG 40 HH11 ARG 40 -9.651 11.400 -6.583 213 HH12 ARG 40 HH12 ARG 40 -9.566 11.060 -8.280 214 HH21 ARG 40 HH21 ARG 40 -12.243 8.785 -8.255 215 HH22 ARG 40 HH22 ARG 40 -11.026 9.552 -9.231 216 H VAL 41 HN VAL 41 -11.231 8.104 -1.218 217 HA VAL 41 HA VAL 41 -11.288 5.596 -2.621 218 HB VAL 41 HB VAL 41 -9.322 6.666 -0.586 219 HG11 VAL 41 HG11 VAL 41 -9.104 4.286 -2.435 220 HG12 VAL 41 HG12 VAL 41 -9.241 4.230 -0.677 221 HG13 VAL 41 HG13 VAL 41 -7.805 4.926 -1.429 222 HG21 VAL 41 HG21 VAL 41 -9.198 6.563 -3.599 223 HG22 VAL 41 HG22 VAL 41 -7.917 7.135 -2.531 224 HG23 VAL 41 HG23 VAL 41 -9.446 8.007 -2.620 225 H ARG 42 HN ARG 42 -11.804 6.730 0.650 226 HA ARG 42 HA ARG 42 -12.014 4.190 1.874 227 HB2 ARG 42 HB2 ARG 42 -13.299 6.817 2.635 228 HB3 ARG 42 HB1 ARG 42 -13.257 5.387 3.659 229 HG2 ARG 42 HG2 ARG 42 -10.810 5.489 3.688 230 HG3 ARG 42 HG1 ARG 42 -10.868 6.936 2.679 231 HD2 ARG 42 HD2 ARG 42 -10.570 7.585 4.977 232 HD3 ARG 42 HD1 ARG 42 -12.179 8.066 4.437 233 HE ARG 42 HE ARG 42 -12.321 5.529 5.645 234 HH11 ARG 42 HH11 ARG 42 -11.804 8.885 6.490 235 HH12 ARG 42 HH12 ARG 42 -12.439 8.710 8.095 236 HH21 ARG 42 HH21 ARG 42 -13.141 5.286 7.758 237 HH22 ARG 42 HH22 ARG 42 -13.200 6.656 8.819 238 H ARG 43 HN ARG 43 -14.128 5.922 -0.218 239 HA ARG 43 HA ARG 43 -16.506 4.492 0.624 240 HB2 ARG 43 HB2 ARG 43 -16.075 6.360 -1.710 241 HB3 ARG 43 HB1 ARG 43 -17.631 5.750 -1.158 242 HG2 ARG 43 HG2 ARG 43 -17.398 6.917 0.930 243 HG3 ARG 43 HG1 ARG 43 -15.771 7.439 0.494 244 HD2 ARG 43 HD2 ARG 43 -16.880 8.534 -1.539 245 HD3 ARG 43 HD1 ARG 43 -18.396 8.298 -0.668 246 HE ARG 43 HE ARG 43 -16.299 9.633 0.820 247 HH11 ARG 43 HH11 ARG 43 -19.120 9.990 -1.216 248 HH12 ARG 43 HH12 ARG 43 -19.410 11.632 -0.743 249 HH21 ARG 43 HH21 ARG 43 -16.662 11.787 1.442 250 HH22 ARG 43 HH22 ARG 43 -18.013 12.659 0.782 251 H THR 44 HN THR 44 -13.962 4.043 -1.634 252 HA THR 44 HA THR 44 -15.492 2.269 -3.330 253 HB THR 44 HB THR 44 -13.019 1.771 -4.156 254 HG1 THR 44 HG1 THR 44 -12.285 3.230 -2.321 255 HG21 THR 44 HG21 THR 44 -14.776 2.788 -5.508 256 HG22 THR 44 HG22 THR 44 -13.246 3.630 -5.743 257 HG23 THR 44 HG23 THR 44 -14.495 4.343 -4.724 258 HA PRO 45 HA PRO 45 -14.725 -1.532 -1.227 259 HB2 PRO 45 HB2 PRO 45 -14.041 -3.215 -3.272 260 HB3 PRO 45 HB1 PRO 45 -15.700 -2.712 -2.928 261 HG2 PRO 45 HG2 PRO 45 -13.775 -1.640 -4.954 262 HG3 PRO 45 HG1 PRO 45 -15.506 -1.993 -5.129 263 HD2 PRO 45 HD2 PRO 45 -14.607 0.512 -4.768 264 HD3 PRO 45 HD1 PRO 45 -16.138 -0.038 -4.055 265 H THR 46 HN THR 46 -13.087 -2.916 -0.485 266 HA THR 46 HA THR 46 -10.547 -1.773 -0.273 267 HB THR 46 HB THR 46 -10.798 -4.697 0.137 268 HG1 THR 46 HG1 THR 46 -12.159 -4.398 1.935 269 HG21 THR 46 HG21 THR 46 -9.853 -2.418 1.880 270 HG22 THR 46 HG22 THR 46 -8.827 -3.475 0.909 271 HG23 THR 46 HG23 THR 46 -9.728 -4.132 2.276 272 H SER 47 HN SER 47 -11.829 -4.216 -2.441 273 HA SER 47 HA SER 47 -9.452 -5.263 -3.452 274 HB2 SER 47 HB2 SER 47 -10.883 -5.771 -5.498 275 HB3 SER 47 HB1 SER 47 -11.493 -6.381 -3.959 276 HG SER 47 HG SER 47 -12.697 -4.749 -5.678 277 H SER 48 HN SER 48 -11.342 -2.456 -4.478 278 HA SER 48 HA SER 48 -9.803 -1.792 -6.727 279 HB2 SER 48 HB2 SER 48 -11.502 -0.068 -4.920 280 HB3 SER 48 HB1 SER 48 -10.897 0.400 -6.499 281 HG SER 48 HG SER 48 -12.074 -1.932 -6.811 282 H LYS 49 HN LYS 49 -9.677 -0.729 -3.355 283 HA LYS 49 HA LYS 49 -7.719 1.246 -3.582 284 HB2 LYS 49 HB2 LYS 49 -8.020 -0.656 -1.254 285 HB3 LYS 49 HB1 LYS 49 -7.350 0.967 -1.215 286 HG2 LYS 49 HG2 LYS 49 -9.543 1.897 -1.701 287 HG3 LYS 49 HG1 LYS 49 -10.222 0.269 -1.790 288 HD2 LYS 49 HD2 LYS 49 -9.426 -0.073 0.576 289 HD3 LYS 49 HD1 LYS 49 -9.053 1.651 0.619 290 HE2 LYS 49 HE2 LYS 49 -11.394 2.161 0.112 291 HE3 LYS 49 HE1 LYS 49 -11.755 0.436 0.078 292 HZ1 LYS 49 HZ1 LYS 49 -11.111 0.306 2.413 293 HZ2 LYS 49 HZ2 LYS 49 -12.375 1.404 2.190 294 HZ3 LYS 49 HZ3 LYS 49 -10.802 1.968 2.437 295 H VAL 50 HN VAL 50 -7.417 -2.211 -2.909 296 HA VAL 50 HA VAL 50 -4.588 -2.181 -2.620 297 HB VAL 50 HB VAL 50 -6.407 -4.517 -3.250 298 HG11 VAL 50 HG11 VAL 50 -4.089 -5.026 -3.774 299 HG12 VAL 50 HG12 VAL 50 -4.600 -5.901 -2.330 300 HG13 VAL 50 HG13 VAL 50 -3.586 -4.466 -2.182 301 HG21 VAL 50 HG21 VAL 50 -7.035 -3.409 -1.180 302 HG22 VAL 50 HG22 VAL 50 -5.366 -3.485 -0.614 303 HG23 VAL 50 HG23 VAL 50 -6.288 -4.970 -0.840 304 H HIS 51 HN HIS 51 -6.734 -2.958 -5.329 305 HA HIS 51 HA HIS 51 -4.712 -3.919 -7.058 306 HB2 HIS 51 HB2 HIS 51 -7.489 -2.870 -7.567 307 HB3 HIS 51 HB1 HIS 51 -6.436 -3.389 -8.878 308 HD1 HIS 51 HD1 HIS 51 -8.357 -5.207 -9.296 309 HD2 HIS 51 HD2 HIS 51 -6.163 -5.646 -5.795 310 HE1 HIS 51 HE1 HIS 51 -8.806 -7.548 -8.508 311 HE2 HIS 51 HE2 HIS 51 -7.322 -7.850 -6.493 312 H PHE 52 HN PHE 52 -6.015 -0.693 -6.496 313 HA PHE 52 HA PHE 52 -4.738 0.495 -8.742 314 HB2 PHE 52 HB2 PHE 52 -6.694 1.502 -7.581 315 HB3 PHE 52 HB1 PHE 52 -5.663 1.838 -6.193 316 HD1 PHE 52 HD1 PHE 52 -4.403 3.799 -6.098 317 HD2 PHE 52 HD2 PHE 52 -6.083 2.566 -9.808 318 HE1 PHE 52 HE1 PHE 52 -3.755 5.949 -7.105 319 HE2 PHE 52 HE2 PHE 52 -5.437 4.712 -10.819 320 HZ PHE 52 HZ PHE 52 -4.271 6.407 -9.469 321 H LEU 53 HN LEU 53 -3.907 0.271 -5.299 322 HA LEU 53 HA LEU 53 -1.524 1.766 -5.428 323 HB2 LEU 53 HB2 LEU 53 -2.302 -0.466 -3.550 324 HB3 LEU 53 HB1 LEU 53 -0.931 0.600 -3.317 325 HG LEU 53 HG LEU 53 -3.826 1.456 -3.364 326 HD11 LEU 53 HD11 LEU 53 -3.300 0.177 -1.376 327 HD12 LEU 53 HD12 LEU 53 -3.483 1.884 -0.972 328 HD13 LEU 53 HD13 LEU 53 -1.874 1.173 -1.087 329 HD21 LEU 53 HD21 LEU 53 -2.935 3.618 -2.574 330 HD22 LEU 53 HD22 LEU 53 -2.399 3.215 -4.204 331 HD23 LEU 53 HD23 LEU 53 -1.299 3.017 -2.840 332 H LYS 54 HN LYS 54 -2.135 -1.705 -5.822 333 HA LYS 54 HA LYS 54 0.529 -2.501 -6.096 334 HB2 LYS 54 HB2 LYS 54 -1.369 -4.043 -5.735 335 HB3 LYS 54 HB1 LYS 54 -1.943 -3.697 -7.361 336 HG2 LYS 54 HG2 LYS 54 -0.763 -5.803 -7.307 337 HG3 LYS 54 HG1 LYS 54 0.125 -4.627 -8.280 338 HD2 LYS 54 HD2 LYS 54 1.481 -4.135 -6.199 339 HD3 LYS 54 HD1 LYS 54 0.733 -5.567 -5.486 340 HE2 LYS 54 HE2 LYS 54 1.626 -6.949 -7.234 341 HE3 LYS 54 HE1 LYS 54 2.257 -5.532 -8.070 342 HZ1 LYS 54 HZ1 LYS 54 4.028 -6.578 -6.884 343 HZ2 LYS 54 HZ2 LYS 54 3.146 -6.585 -5.443 344 HZ3 LYS 54 HZ3 LYS 54 3.672 -5.118 -6.104 345 H SER 55 HN SER 55 -1.838 -1.323 -8.428 346 HA SER 55 HA SER 55 -0.203 -1.720 -10.721 347 HB2 SER 55 HB2 SER 55 -2.710 -1.490 -10.743 348 HB3 SER 55 HB1 SER 55 -2.501 0.228 -10.407 349 HG SER 55 HG SER 55 -1.162 0.238 -12.380 350 H LYS 56 HN LYS 56 -0.131 0.557 -8.203 351 HA LYS 56 HA LYS 56 1.127 2.646 -9.751 352 HB2 LYS 56 HB2 LYS 56 0.491 2.308 -6.830 353 HB3 LYS 56 HB1 LYS 56 1.448 3.649 -7.422 354 HG2 LYS 56 HG2 LYS 56 -0.514 4.108 -9.002 355 HG3 LYS 56 HG1 LYS 56 -1.426 3.022 -7.953 356 HD2 LYS 56 HD2 LYS 56 -1.787 5.300 -7.247 357 HD3 LYS 56 HD1 LYS 56 -0.833 4.461 -6.022 358 HE2 LYS 56 HE2 LYS 56 1.170 5.519 -6.746 359 HE3 LYS 56 HE1 LYS 56 0.390 6.154 -8.191 360 HZ1 LYS 56 HZ1 LYS 56 -0.984 7.558 -6.778 361 HZ2 LYS 56 HZ2 LYS 56 0.658 7.861 -6.520 362 HZ3 LYS 56 HZ3 LYS 56 -0.220 6.953 -5.397 363 H GLY 57 HN GLY 57 2.144 -0.265 -8.570 364 HA2 GLY 57 HA2 GLY 57 4.396 -0.951 -8.997 365 HA3 GLY 57 HA1 GLY 57 4.925 0.685 -8.643 366 H LEU 58 HN LEU 58 2.641 -0.317 -6.397 367 HA LEU 58 HA LEU 58 4.661 -0.561 -4.359 368 HB2 LEU 58 HB2 LEU 58 1.712 -0.342 -4.404 369 HB3 LEU 58 HB1 LEU 58 2.418 -1.172 -3.031 370 HG LEU 58 HG LEU 58 3.884 0.886 -2.729 371 HD11 LEU 58 HD11 LEU 58 2.973 2.978 -3.626 372 HD12 LEU 58 HD12 LEU 58 1.833 2.049 -4.600 373 HD13 LEU 58 HD13 LEU 58 3.568 1.905 -4.894 374 HD21 LEU 58 HD21 LEU 58 2.163 2.044 -1.486 375 HD22 LEU 58 HD22 LEU 58 2.013 0.298 -1.284 376 HD23 LEU 58 HD23 LEU 58 0.912 1.161 -2.362 377 H SER 59 HN SER 59 4.872 -2.287 -2.916 378 HA SER 59 HA SER 59 4.275 -4.902 -4.070 379 HB2 SER 59 HB2 SER 59 6.060 -4.168 -1.737 380 HB3 SER 59 HB1 SER 59 5.961 -5.747 -2.520 381 HG SER 59 HG SER 59 7.748 -4.439 -3.238 382 H ALA 60 HN ALA 60 3.746 -6.621 -2.331 383 HA ALA 60 HA ALA 60 1.243 -5.935 -1.246 384 HB1 ALA 60 HB1 ALA 60 1.844 -8.208 -1.954 385 HB2 ALA 60 HB2 ALA 60 1.217 -8.168 -0.307 386 HB3 ALA 60 HB3 ALA 60 2.949 -8.330 -0.587 387 H GLU 61 HN GLU 61 4.428 -6.311 0.238 388 HA GLU 61 HA GLU 61 3.681 -5.967 2.920 389 HB2 GLU 61 HB2 GLU 61 6.237 -5.285 1.469 390 HB3 GLU 61 HB1 GLU 61 6.052 -5.103 3.207 391 HG2 GLU 61 HG2 GLU 61 5.625 -7.480 3.430 392 HG3 GLU 61 HG1 GLU 61 5.748 -7.679 1.682 393 H GLU 62 HN GLU 62 4.461 -3.621 0.416 394 HA GLU 62 HA GLU 62 4.487 -1.307 2.019 395 HB2 GLU 62 HB2 GLU 62 3.602 -1.446 -0.867 396 HB3 GLU 62 HB1 GLU 62 4.322 -0.076 -0.034 397 HG2 GLU 62 HG2 GLU 62 5.740 -2.671 -0.568 398 HG3 GLU 62 HG1 GLU 62 5.848 -1.246 -1.599 399 H ILE 63 HN ILE 63 1.955 -2.820 0.083 400 HA ILE 63 HA ILE 63 -0.091 -0.968 0.654 401 HB ILE 63 HB ILE 63 -0.344 -3.888 -0.099 402 HG12 ILE 63 HG12 ILE 63 -0.432 -1.487 -1.928 403 HG13 ILE 63 HG11 ILE 63 1.044 -2.400 -1.630 404 HG21 ILE 63 HG21 ILE 63 -2.538 -3.217 -1.001 405 HG22 ILE 63 HG22 ILE 63 -2.306 -1.607 -0.321 406 HG23 ILE 63 HG23 ILE 63 -2.433 -3.007 0.745 407 HD11 ILE 63 HD11 ILE 63 -1.496 -3.514 -2.798 408 HD12 ILE 63 HD12 ILE 63 0.013 -4.396 -2.543 409 HD13 ILE 63 HD13 ILE 63 -0.050 -3.067 -3.703 410 H CYS 64 HN CYS 64 0.765 -4.092 2.107 411 HA CYS 64 HA CYS 64 -1.298 -4.325 3.964 412 HB2 CYS 64 HB2 CYS 64 0.248 -6.147 3.467 413 HB3 CYS 64 HB1 CYS 64 1.584 -5.235 4.155 414 HG CYS 64 HG CYS 64 -1.042 -5.919 6.182 415 H GLU 65 HN GLU 65 1.853 -2.741 4.270 416 HA GLU 65 HA GLU 65 1.550 -1.988 6.971 417 HB2 GLU 65 HB2 GLU 65 3.730 -2.135 5.993 418 HB3 GLU 65 HB1 GLU 65 3.308 -0.971 4.745 419 HG2 GLU 65 HG2 GLU 65 3.217 0.790 6.319 420 HG3 GLU 65 HG1 GLU 65 3.396 -0.324 7.670 421 H ALA 66 HN ALA 66 1.068 -0.252 3.918 422 HA ALA 66 HA ALA 66 0.388 2.242 4.954 423 HB1 ALA 66 HB1 ALA 66 0.837 1.861 2.586 424 HB2 ALA 66 HB2 ALA 66 -0.723 2.658 2.812 425 HB3 ALA 66 HB3 ALA 66 -0.655 0.933 2.446 426 H PHE 67 HN PHE 67 -1.708 -0.497 4.143 427 HA PHE 67 HA PHE 67 -4.159 0.660 4.764 428 HB2 PHE 67 HB2 PHE 67 -3.126 -2.070 4.442 429 HB3 PHE 67 HB1 PHE 67 -4.527 -1.952 5.502 430 HD1 PHE 67 HD1 PHE 67 -3.306 -1.528 2.077 431 HD2 PHE 67 HD2 PHE 67 -6.665 -1.266 4.666 432 HE1 PHE 67 HE1 PHE 67 -4.798 -1.408 0.123 433 HE2 PHE 67 HE2 PHE 67 -8.164 -1.146 2.723 434 HZ PHE 67 HZ PHE 67 -7.233 -1.217 0.448 435 H THR 68 HN THR 68 -1.873 -1.033 6.867 436 HA THR 68 HA THR 68 -3.556 -1.026 9.135 437 HB THR 68 HB THR 68 -0.545 -1.117 9.155 438 HG1 THR 68 HG1 THR 68 -1.038 -2.793 7.850 439 HG21 THR 68 HG21 THR 68 -1.583 -0.854 11.354 440 HG22 THR 68 HG22 THR 68 -0.880 -2.463 11.185 441 HG23 THR 68 HG23 THR 68 -2.624 -2.243 11.036 442 H LYS 69 HN LYS 69 -1.241 1.275 7.847 443 HA LYS 69 HA LYS 69 -1.179 2.952 10.144 444 HB2 LYS 69 HB2 LYS 69 -0.539 3.576 7.259 445 HB3 LYS 69 HB1 LYS 69 -0.172 4.626 8.623 446 HG2 LYS 69 HG2 LYS 69 0.958 2.267 9.394 447 HG3 LYS 69 HG1 LYS 69 1.214 2.252 7.652 448 HD2 LYS 69 HD2 LYS 69 1.979 4.503 9.510 449 HD3 LYS 69 HD1 LYS 69 3.091 3.299 8.856 450 HE2 LYS 69 HE2 LYS 69 2.517 4.062 6.583 451 HE3 LYS 69 HE1 LYS 69 1.483 5.303 7.288 452 HZ1 LYS 69 HZ1 LYS 69 3.419 6.266 8.358 453 HZ2 LYS 69 HZ2 LYS 69 3.652 6.184 6.685 454 HZ3 LYS 69 HZ3 LYS 69 4.414 5.067 7.702 455 H VAL 70 HN VAL 70 -3.320 2.731 7.381 456 HA VAL 70 HA VAL 70 -4.494 5.326 7.894 457 HB VAL 70 HB VAL 70 -5.915 4.958 6.023 458 HG11 VAL 70 HG11 VAL 70 -3.798 5.572 5.277 459 HG12 VAL 70 HG12 VAL 70 -4.196 4.168 4.291 460 HG13 VAL 70 HG13 VAL 70 -3.103 4.000 5.658 461 HG21 VAL 70 HG21 VAL 70 -5.029 2.072 6.034 462 HG22 VAL 70 HG22 VAL 70 -6.059 2.831 4.821 463 HG23 VAL 70 HG23 VAL 70 -6.628 2.668 6.482 464 H GLY 71 HN GLY 71 -4.752 2.453 9.423 465 HA2 GLY 71 HA2 GLY 71 -6.178 2.165 11.291 466 HA3 GLY 71 HA1 GLY 71 -7.348 3.233 10.532 467 H GLN 72 HN GLN 72 -5.957 0.828 8.538 468 HA GLN 72 HA GLN 72 -8.270 -0.944 8.946 469 HB2 GLN 72 HB2 GLN 72 -8.551 0.403 6.892 470 HB3 GLN 72 HB1 GLN 72 -6.998 -0.175 6.309 471 HG2 GLN 72 HG2 GLN 72 -8.657 -1.415 5.188 472 HG3 GLN 72 HG1 GLN 72 -7.941 -2.494 6.383 473 HE21 GLN 72 HE21 GLN 72 -10.732 -0.638 5.502 474 HE22 GLN 72 HE22 GLN 72 -11.834 -1.394 6.597 475 HA PRO 73 HA PRO 73 -4.375 -3.245 9.506 476 HB2 PRO 73 HB2 PRO 73 -5.359 -5.100 11.220 477 HB3 PRO 73 HB1 PRO 73 -4.821 -3.496 11.729 478 HG2 PRO 73 HG2 PRO 73 -7.588 -4.516 11.279 479 HG3 PRO 73 HG1 PRO 73 -6.992 -3.403 12.522 480 HD2 PRO 73 HD2 PRO 73 -8.335 -2.605 10.268 481 HD3 PRO 73 HD1 PRO 73 -7.186 -1.579 11.147 482 H LYS 74 HN LYS 74 -4.193 -4.118 7.520 483 HA LYS 74 HA LYS 74 -5.677 -6.593 6.976 484 HB2 LYS 74 HB2 LYS 74 -4.318 -4.612 5.164 485 HB3 LYS 74 HB1 LYS 74 -4.687 -6.241 4.620 486 HG2 LYS 74 HG2 LYS 74 -6.709 -4.259 5.641 487 HG3 LYS 74 HG1 LYS 74 -6.388 -4.612 3.941 488 HD2 LYS 74 HD2 LYS 74 -6.975 -6.983 4.379 489 HD3 LYS 74 HD1 LYS 74 -7.418 -6.533 6.025 490 HE2 LYS 74 HE2 LYS 74 -9.102 -4.999 5.144 491 HE3 LYS 74 HE1 LYS 74 -8.668 -5.469 3.501 492 HZ1 LYS 74 HZ1 LYS 74 -10.612 -6.668 4.237 493 HZ2 LYS 74 HZ2 LYS 74 -9.788 -7.258 5.590 494 HZ3 LYS 74 HZ3 LYS 74 -9.325 -7.750 4.039 495 H THR 75 HN THR 75 -4.600 -8.469 6.703 496 HA THR 75 HA THR 75 -1.832 -8.567 7.511 497 HB THR 75 HB THR 75 -2.129 -11.043 7.183 498 HG1 THR 75 HG1 THR 75 -4.527 -11.561 7.019 499 HG21 THR 75 HG21 THR 75 -3.645 -11.337 9.097 500 HG22 THR 75 HG22 THR 75 -4.161 -9.658 8.934 501 HG23 THR 75 HG23 THR 75 -2.493 -10.031 9.369 502 H LEU 76 HN LEU 76 -0.256 -9.825 6.216 503 HA LEU 76 HA LEU 76 -0.041 -8.894 3.569 504 HB2 LEU 76 HB2 LEU 76 1.871 -9.591 4.990 505 HB3 LEU 76 HB1 LEU 76 1.337 -11.254 4.857 506 HG LEU 76 HG LEU 76 1.741 -11.194 2.435 507 HD11 LEU 76 HD11 LEU 76 1.351 -8.836 2.033 508 HD12 LEU 76 HD12 LEU 76 2.953 -9.297 1.460 509 HD13 LEU 76 HD13 LEU 76 2.778 -8.418 2.979 510 HD21 LEU 76 HD21 LEU 76 4.102 -10.310 4.089 511 HD22 LEU 76 HD22 LEU 76 4.180 -11.138 2.534 512 HD23 LEU 76 HD23 LEU 76 3.504 -11.962 3.939 513 H ASN 77 HN ASN 77 -1.319 -11.787 5.015 514 HA ASN 77 HA ASN 77 -1.763 -13.366 2.754 515 HB2 ASN 77 HB2 ASN 77 -2.049 -14.134 5.092 516 HB3 ASN 77 HB1 ASN 77 -3.485 -13.129 5.231 517 HD21 ASN 77 HD21 ASN 77 -2.106 -15.961 3.757 518 HD22 ASN 77 HD22 ASN 77 -3.603 -16.684 3.281 519 H GLU 78 HN GLU 78 -3.798 -10.903 4.283 520 HA GLU 78 HA GLU 78 -6.007 -11.088 2.583 521 HB2 GLU 78 HB2 GLU 78 -4.880 -8.871 4.256 522 HB3 GLU 78 HB1 GLU 78 -6.246 -8.566 3.191 523 HG2 GLU 78 HG2 GLU 78 -6.191 -10.686 5.315 524 HG3 GLU 78 HG1 GLU 78 -6.880 -9.079 5.525 525 H ILE 79 HN ILE 79 -3.103 -9.067 2.324 526 HA ILE 79 HA ILE 79 -3.932 -7.637 0.054 527 HB ILE 79 HB ILE 79 -1.086 -8.289 0.831 528 HG12 ILE 79 HG12 ILE 79 -2.223 -7.282 2.722 529 HG13 ILE 79 HG11 ILE 79 -1.151 -6.089 1.997 530 HG21 ILE 79 HG21 ILE 79 -1.260 -7.404 -1.416 531 HG22 ILE 79 HG22 ILE 79 -0.557 -6.192 -0.345 532 HG23 ILE 79 HG23 ILE 79 -2.246 -6.061 -0.837 533 HD11 ILE 79 HD11 ILE 79 -3.252 -5.078 2.618 534 HD12 ILE 79 HD12 ILE 79 -4.135 -6.247 1.638 535 HD13 ILE 79 HD13 ILE 79 -3.072 -5.073 0.864 536 H LYS 80 HN LYS 80 -1.981 -10.603 0.335 537 HA LYS 80 HA LYS 80 -1.602 -10.981 -2.440 538 HB2 LYS 80 HB2 LYS 80 -1.702 -13.029 -0.216 539 HB3 LYS 80 HB1 LYS 80 -1.119 -13.340 -1.846 540 HG2 LYS 80 HG2 LYS 80 0.608 -11.592 -1.486 541 HG3 LYS 80 HG1 LYS 80 0.085 -11.491 0.194 542 HD2 LYS 80 HD2 LYS 80 0.631 -13.841 0.523 543 HD3 LYS 80 HD1 LYS 80 1.112 -13.981 -1.170 544 HE2 LYS 80 HE2 LYS 80 2.875 -12.316 -0.785 545 HE3 LYS 80 HE1 LYS 80 2.405 -12.221 0.909 546 HZ1 LYS 80 HZ1 LYS 80 4.294 -13.669 0.633 547 HZ2 LYS 80 HZ2 LYS 80 3.452 -14.625 -0.479 548 HZ3 LYS 80 HZ3 LYS 80 2.956 -14.575 1.137 549 H ARG 81 HN ARG 81 -4.083 -12.031 -0.205 550 HA ARG 81 HA ARG 81 -5.607 -13.671 -1.878 551 HB2 ARG 81 HB2 ARG 81 -6.029 -13.645 0.469 552 HB3 ARG 81 HB1 ARG 81 -6.331 -11.916 0.462 553 HG2 ARG 81 HG2 ARG 81 -8.367 -12.325 -0.890 554 HG3 ARG 81 HG1 ARG 81 -8.079 -14.059 -0.721 555 HD2 ARG 81 HD2 ARG 81 -8.257 -13.890 1.683 556 HD3 ARG 81 HD1 ARG 81 -8.431 -12.139 1.574 557 HE ARG 81 HE ARG 81 -10.422 -13.652 0.129 558 HH11 ARG 81 HH11 ARG 81 -9.577 -12.082 3.158 559 HH12 ARG 81 HH12 ARG 81 -11.230 -11.952 3.679 560 HH21 ARG 81 HH21 ARG 81 -12.580 -13.468 0.825 561 HH22 ARG 81 HH22 ARG 81 -12.933 -12.735 2.358 562 H ILE 82 HN ILE 82 -5.878 -10.195 -1.232 563 HA ILE 82 HA ILE 82 -8.076 -9.786 -2.987 564 HB ILE 82 HB ILE 82 -6.094 -7.788 -1.873 565 HG12 ILE 82 HG12 ILE 82 -8.881 -8.431 -0.893 566 HG13 ILE 82 HG11 ILE 82 -7.441 -9.199 -0.238 567 HG21 ILE 82 HG21 ILE 82 -7.269 -6.885 -3.802 568 HG22 ILE 82 HG22 ILE 82 -7.844 -6.120 -2.320 569 HG23 ILE 82 HG23 ILE 82 -8.817 -7.364 -3.105 570 HD11 ILE 82 HD11 ILE 82 -8.133 -7.401 1.193 571 HD12 ILE 82 HD12 ILE 82 -8.107 -6.266 -0.158 572 HD13 ILE 82 HD13 ILE 82 -6.602 -6.979 0.426 573 H LEU 83 HN LEU 83 -4.583 -9.637 -3.365 574 HA LEU 83 HA LEU 83 -4.740 -8.528 -6.031 575 HB2 LEU 83 HB2 LEU 83 -2.457 -9.597 -4.386 576 HB3 LEU 83 HB1 LEU 83 -2.257 -9.047 -6.039 577 HG LEU 83 HG LEU 83 -3.225 -7.341 -3.743 578 HD11 LEU 83 HD11 LEU 83 -0.869 -7.932 -3.530 579 HD12 LEU 83 HD12 LEU 83 -1.060 -6.229 -3.949 580 HD13 LEU 83 HD13 LEU 83 -0.578 -7.393 -5.184 581 HD21 LEU 83 HD21 LEU 83 -4.189 -6.599 -5.820 582 HD22 LEU 83 HD22 LEU 83 -2.624 -6.693 -6.625 583 HD23 LEU 83 HD23 LEU 83 -2.894 -5.493 -5.364 584 H SER 84 HN SER 84 -5.455 -11.483 -4.873 585 HA SER 84 HA SER 84 -4.321 -13.004 -7.068 586 HB2 SER 84 HB2 SER 84 -4.539 -14.006 -4.791 587 HB3 SER 84 HB1 SER 84 -6.291 -13.872 -4.930 588 HG SER 84 HG SER 84 -5.497 -15.103 -7.100 Start of MODEL 8 1 H1 LYS 15 HT1 LYS 15 10.310 -11.411 -2.772 2 H2 LYS 15 HT2 LYS 15 8.929 -10.479 -3.048 3 H3 LYS 15 HT3 LYS 15 9.343 -10.933 -1.472 4 HA LYS 15 HA LYS 15 10.929 -9.170 -3.226 5 HB2 LYS 15 HB2 LYS 15 10.310 -7.450 -1.418 6 HB3 LYS 15 HB1 LYS 15 9.092 -7.861 -2.608 7 HG2 LYS 15 HG2 LYS 15 7.878 -7.850 -0.667 8 HG3 LYS 15 HG1 LYS 15 8.277 -9.555 -0.828 9 HD2 LYS 15 HD2 LYS 15 8.605 -8.893 1.459 10 HD3 LYS 15 HD1 LYS 15 10.181 -9.199 0.728 11 HE2 LYS 15 HE2 LYS 15 10.692 -6.914 0.602 12 HE3 LYS 15 HE1 LYS 15 9.011 -6.435 0.830 13 HZ1 LYS 15 HZ1 LYS 15 10.422 -6.102 2.814 14 HZ2 LYS 15 HZ2 LYS 15 10.666 -7.776 2.906 15 HZ3 LYS 15 HZ3 LYS 15 9.105 -7.130 3.107 16 HA PRO 16 HA PRO 16 14.247 -10.216 -0.514 17 HB2 PRO 16 HB2 PRO 16 15.944 -8.215 -1.109 18 HB3 PRO 16 HB1 PRO 16 15.586 -9.506 -2.260 19 HG2 PRO 16 HG2 PRO 16 14.475 -6.729 -2.122 20 HG3 PRO 16 HG1 PRO 16 15.024 -7.645 -3.539 21 HD2 PRO 16 HD2 PRO 16 12.402 -7.399 -2.842 22 HD3 PRO 16 HD1 PRO 16 13.050 -8.805 -3.706 23 H GLU 17 HN GLU 17 15.251 -9.567 1.410 24 HA GLU 17 HA GLU 17 13.946 -7.352 2.790 25 HB2 GLU 17 HB2 GLU 17 15.715 -9.567 3.836 26 HB3 GLU 17 HB1 GLU 17 15.004 -8.306 4.833 27 HG2 GLU 17 HG2 GLU 17 13.551 -10.434 3.285 28 HG3 GLU 17 HG1 GLU 17 13.689 -10.291 5.037 29 H VAL 18 HN VAL 18 16.258 -7.432 0.771 30 HA VAL 18 HA VAL 18 18.114 -5.748 2.291 31 HB VAL 18 HB VAL 18 19.310 -7.600 1.376 32 HG11 VAL 18 HG11 VAL 18 17.775 -8.378 -0.296 33 HG12 VAL 18 HG12 VAL 18 19.345 -8.096 -1.049 34 HG13 VAL 18 HG13 VAL 18 18.038 -6.932 -1.269 35 HG21 VAL 18 HG21 VAL 18 20.494 -5.504 1.234 36 HG22 VAL 18 HG22 VAL 18 19.758 -5.159 -0.329 37 HG23 VAL 18 HG23 VAL 18 20.890 -6.501 -0.164 38 H GLU 19 HN GLU 19 17.834 -3.665 1.995 39 HA GLU 19 HA GLU 19 17.107 -2.656 -0.660 40 HB2 GLU 19 HB2 GLU 19 15.755 -1.888 1.930 41 HB3 GLU 19 HB1 GLU 19 15.553 -1.025 0.415 42 HG2 GLU 19 HG2 GLU 19 14.598 -3.049 -0.591 43 HG3 GLU 19 HG1 GLU 19 14.760 -3.876 0.958 44 H HIS 20 HN HIS 20 17.910 -0.627 -1.139 45 HA HIS 20 HA HIS 20 19.800 0.486 0.811 46 HB2 HIS 20 HB2 HIS 20 20.680 -0.053 -1.458 47 HB3 HIS 20 HB1 HIS 20 19.533 1.087 -2.147 48 HD1 HIS 20 HD1 HIS 20 22.900 0.858 -0.819 49 HD2 HIS 20 HD2 HIS 20 20.055 3.852 -1.276 50 HE1 HIS 20 HE1 HIS 20 24.155 3.025 -0.605 51 HE2 HIS 20 HE2 HIS 20 22.398 4.819 -0.766 52 H THR 21 HN THR 21 17.489 1.625 -1.637 53 HA THR 21 HA THR 21 17.206 4.159 -0.288 54 HB THR 21 HB THR 21 15.540 3.192 -2.608 55 HG1 THR 21 HG1 THR 21 17.415 2.990 -3.601 56 HG21 THR 21 HG21 THR 21 14.897 5.318 -1.556 57 HG22 THR 21 HG22 THR 21 15.512 5.570 -3.189 58 HG23 THR 21 HG23 THR 21 16.534 5.931 -1.799 59 H HIS 22 HN HIS 22 16.280 3.600 1.701 60 HA HIS 22 HA HIS 22 13.917 1.988 1.873 61 HB2 HIS 22 HB2 HIS 22 15.061 3.868 3.952 62 HB3 HIS 22 HB1 HIS 22 13.874 2.604 4.237 63 HD1 HIS 22 HD1 HIS 22 14.776 0.097 4.090 64 HD2 HIS 22 HD2 HIS 22 17.682 3.072 3.991 65 HE1 HIS 22 HE1 HIS 22 16.951 -1.065 4.561 66 HE2 HIS 22 HE2 HIS 22 18.671 0.773 4.630 67 H SER 23 HN SER 23 14.617 5.352 1.466 68 HA SER 23 HA SER 23 12.154 6.455 2.234 69 HB2 SER 23 HB2 SER 23 14.197 7.790 1.803 70 HB3 SER 23 HB1 SER 23 14.047 7.437 0.083 71 HG SER 23 HG SER 23 11.751 8.452 1.190 72 H GLU 24 HN GLU 24 13.142 4.767 -0.669 73 HA GLU 24 HA GLU 24 11.027 5.642 -2.325 74 HB2 GLU 24 HB2 GLU 24 12.999 4.588 -3.290 75 HB3 GLU 24 HB1 GLU 24 12.637 3.086 -2.447 76 HG2 GLU 24 HG2 GLU 24 10.614 2.804 -3.740 77 HG3 GLU 24 HG1 GLU 24 10.873 4.358 -4.528 78 H ARG 25 HN ARG 25 11.393 2.746 -0.275 79 HA ARG 25 HA ARG 25 8.808 1.767 -0.904 80 HB2 ARG 25 HB2 ARG 25 9.144 0.095 0.712 81 HB3 ARG 25 HB1 ARG 25 10.738 0.413 0.056 82 HG2 ARG 25 HG2 ARG 25 11.325 1.702 2.016 83 HG3 ARG 25 HG1 ARG 25 9.692 1.505 2.660 84 HD2 ARG 25 HD2 ARG 25 10.072 -0.977 2.578 85 HD3 ARG 25 HD1 ARG 25 11.760 -0.635 2.199 86 HE ARG 25 HE ARG 25 11.192 0.782 4.500 87 HH11 ARG 25 HH11 ARG 25 11.255 -2.562 3.477 88 HH12 ARG 25 HH12 ARG 25 11.531 -3.183 5.075 89 HH21 ARG 25 HH21 ARG 25 11.575 -0.030 6.606 90 HH22 ARG 25 HH22 ARG 25 11.717 -1.742 6.853 91 H GLU 26 HN GLU 26 10.080 3.878 1.599 92 HA GLU 26 HA GLU 26 7.771 3.979 3.201 93 HB2 GLU 26 HB2 GLU 26 9.899 4.761 4.042 94 HB3 GLU 26 HB1 GLU 26 9.971 6.008 2.803 95 HG2 GLU 26 HG2 GLU 26 8.004 7.079 3.769 96 HG3 GLU 26 HG1 GLU 26 7.944 5.841 5.020 97 H LYS 27 HN LYS 27 8.839 6.004 0.466 98 HA LYS 27 HA LYS 27 6.656 7.795 0.669 99 HB2 LYS 27 HB2 LYS 27 7.328 8.696 -1.430 100 HB3 LYS 27 HB1 LYS 27 8.792 8.280 -0.555 101 HG2 LYS 27 HG2 LYS 27 9.026 6.259 -1.890 102 HG3 LYS 27 HG1 LYS 27 7.539 6.652 -2.756 103 HD2 LYS 27 HD2 LYS 27 8.566 8.726 -3.564 104 HD3 LYS 27 HD1 LYS 27 10.057 8.316 -2.713 105 HE2 LYS 27 HE2 LYS 27 10.244 6.276 -4.076 106 HE3 LYS 27 HE1 LYS 27 8.783 6.738 -4.945 107 HZ1 LYS 27 HZ1 LYS 27 11.257 8.373 -4.847 108 HZ2 LYS 27 HZ2 LYS 27 9.884 8.670 -5.791 109 HZ3 LYS 27 HZ3 LYS 27 10.857 7.325 -6.112 110 H ARG 28 HN ARG 28 7.097 4.730 -0.986 111 HA ARG 28 HA ARG 28 4.723 4.827 -2.521 112 HB2 ARG 28 HB2 ARG 28 6.257 2.464 -1.428 113 HB3 ARG 28 HB1 ARG 28 4.904 2.330 -2.538 114 HG2 ARG 28 HG2 ARG 28 6.186 3.730 -4.151 115 HG3 ARG 28 HG1 ARG 28 7.567 3.613 -3.058 116 HD2 ARG 28 HD2 ARG 28 6.134 1.303 -4.364 117 HD3 ARG 28 HD1 ARG 28 7.700 1.950 -4.841 118 HE ARG 28 HE ARG 28 7.292 0.835 -2.138 119 HH11 ARG 28 HH11 ARG 28 8.987 0.818 -5.215 120 HH12 ARG 28 HH12 ARG 28 10.175 -0.329 -4.685 121 HH21 ARG 28 HH21 ARG 28 8.841 -0.649 -1.459 122 HH22 ARG 28 HH22 ARG 28 10.103 -1.153 -2.547 123 H VAL 29 HN VAL 29 5.439 3.494 0.690 124 HA VAL 29 HA VAL 29 2.833 2.683 1.333 125 HB VAL 29 HB VAL 29 5.042 3.676 3.152 126 HG11 VAL 29 HG11 VAL 29 3.828 2.569 4.977 127 HG12 VAL 29 HG12 VAL 29 2.497 2.222 3.875 128 HG13 VAL 29 HG13 VAL 29 2.892 3.892 4.282 129 HG21 VAL 29 HG21 VAL 29 5.390 1.283 3.601 130 HG22 VAL 29 HG22 VAL 29 5.641 1.684 1.903 131 HG23 VAL 29 HG23 VAL 29 4.149 0.893 2.411 132 H SER 30 HN SER 30 4.506 5.768 1.845 133 HA SER 30 HA SER 30 2.462 7.093 3.213 134 HB2 SER 30 HB2 SER 30 4.855 7.844 2.960 135 HB3 SER 30 HB1 SER 30 4.450 8.377 1.331 136 HG SER 30 HG SER 30 3.165 9.269 3.704 137 H ASN 31 HN ASN 31 3.115 6.895 -0.286 138 HA ASN 31 HA ASN 31 1.026 8.580 -1.134 139 HB2 ASN 31 HB2 ASN 31 2.625 6.421 -2.430 140 HB3 ASN 31 HB1 ASN 31 1.158 6.963 -3.235 141 HD21 ASN 31 HD21 ASN 31 4.370 7.809 -2.253 142 HD22 ASN 31 HD22 ASN 31 4.481 9.271 -3.175 143 H ALA 32 HN ALA 32 1.114 5.179 -0.332 144 HA ALA 32 HA ALA 32 -1.555 4.613 -1.165 145 HB1 ALA 32 HB1 ALA 32 -1.261 2.506 0.034 146 HB2 ALA 32 HB2 ALA 32 0.243 3.113 0.726 147 HB3 ALA 32 HB3 ALA 32 0.114 2.854 -1.013 148 H VAL 33 HN VAL 33 -0.042 5.415 1.921 149 HA VAL 33 HA VAL 33 -2.314 5.120 3.543 150 HB VAL 33 HB VAL 33 0.023 7.025 3.866 151 HG11 VAL 33 HG11 VAL 33 -1.955 6.087 5.940 152 HG12 VAL 33 HG12 VAL 33 -1.899 7.703 5.235 153 HG13 VAL 33 HG13 VAL 33 -0.556 7.123 6.222 154 HG21 VAL 33 HG21 VAL 33 0.761 4.738 3.765 155 HG22 VAL 33 HG22 VAL 33 -0.463 4.253 4.935 156 HG23 VAL 33 HG23 VAL 33 0.863 5.303 5.432 157 H GLU 34 HN GLU 34 -1.045 7.954 1.818 158 HA GLU 34 HA GLU 34 -3.116 9.689 2.676 159 HB2 GLU 34 HB2 GLU 34 -2.219 11.275 1.134 160 HB3 GLU 34 HB1 GLU 34 -0.869 10.397 1.838 161 HG2 GLU 34 HG2 GLU 34 -0.586 9.106 -0.134 162 HG3 GLU 34 HG1 GLU 34 -2.058 9.768 -0.841 163 H PHE 35 HN PHE 35 -2.751 7.525 -0.065 164 HA PHE 35 HA PHE 35 -5.009 8.471 -1.527 165 HB2 PHE 35 HB2 PHE 35 -3.260 7.228 -2.653 166 HB3 PHE 35 HB1 PHE 35 -3.508 5.844 -1.600 167 HD1 PHE 35 HD1 PHE 35 -5.007 4.160 -2.183 168 HD2 PHE 35 HD2 PHE 35 -5.150 7.895 -4.216 169 HE1 PHE 35 HE1 PHE 35 -6.592 3.209 -3.806 170 HE2 PHE 35 HE2 PHE 35 -6.740 6.955 -5.839 171 HZ PHE 35 HZ PHE 35 -7.464 4.610 -5.637 172 H LEU 36 HN LEU 36 -4.476 5.820 0.744 173 HA LEU 36 HA LEU 36 -7.088 4.756 0.610 174 HB2 LEU 36 HB2 LEU 36 -4.951 4.604 2.714 175 HB3 LEU 36 HB1 LEU 36 -6.437 3.688 2.803 176 HG LEU 36 HG LEU 36 -4.342 3.450 0.640 177 HD11 LEU 36 HD11 LEU 36 -3.874 1.272 1.642 178 HD12 LEU 36 HD12 LEU 36 -5.030 1.617 2.931 179 HD13 LEU 36 HD13 LEU 36 -3.566 2.588 2.776 180 HD21 LEU 36 HD21 LEU 36 -5.620 1.471 -0.051 181 HD22 LEU 36 HD22 LEU 36 -6.551 2.958 -0.218 182 HD23 LEU 36 HD23 LEU 36 -6.862 1.871 1.135 183 H LEU 37 HN LEU 37 -5.647 7.332 2.473 184 HA LEU 37 HA LEU 37 -7.966 7.581 4.196 185 HB2 LEU 37 HB2 LEU 37 -5.271 8.831 4.079 186 HB3 LEU 37 HB1 LEU 37 -6.555 9.695 4.905 187 HG LEU 37 HG LEU 37 -5.632 6.900 5.569 188 HD11 LEU 37 HD11 LEU 37 -3.971 8.588 6.162 189 HD12 LEU 37 HD12 LEU 37 -4.732 7.908 7.600 190 HD13 LEU 37 HD13 LEU 37 -5.205 9.506 7.024 191 HD21 LEU 37 HD21 LEU 37 -7.935 7.092 6.084 192 HD22 LEU 37 HD22 LEU 37 -7.723 8.712 6.739 193 HD23 LEU 37 HD23 LEU 37 -7.063 7.320 7.601 194 H ASP 38 HN ASP 38 -7.581 8.400 1.119 195 HA ASP 38 HA ASP 38 -8.395 11.150 1.222 196 HB2 ASP 38 HB2 ASP 38 -7.111 10.129 -0.700 197 HB3 ASP 38 HB1 ASP 38 -8.572 9.254 -1.135 198 H SER 39 HN SER 39 -10.455 11.981 1.005 199 HA SER 39 HA SER 39 -12.536 10.457 2.079 200 HB2 SER 39 HB2 SER 39 -12.686 13.054 0.531 201 HB3 SER 39 HB1 SER 39 -13.975 12.391 1.533 202 HG SER 39 HG SER 39 -12.940 13.742 2.875 203 H ARG 40 HN ARG 40 -11.684 11.108 -1.286 204 HA ARG 40 HA ARG 40 -14.135 10.093 -2.342 205 HB2 ARG 40 HB2 ARG 40 -13.285 10.600 -4.399 206 HB3 ARG 40 HB1 ARG 40 -12.199 11.581 -3.429 207 HG2 ARG 40 HG2 ARG 40 -10.636 9.573 -3.459 208 HG3 ARG 40 HG1 ARG 40 -11.663 8.943 -4.743 209 HD2 ARG 40 HD2 ARG 40 -9.987 10.048 -5.908 210 HD3 ARG 40 HD1 ARG 40 -11.279 11.248 -5.850 211 HE ARG 40 HE ARG 40 -9.705 11.669 -3.608 212 HH11 ARG 40 HH11 ARG 40 -9.331 11.811 -7.092 213 HH12 ARG 40 HH12 ARG 40 -8.058 12.988 -7.032 214 HH21 ARG 40 HH21 ARG 40 -8.027 13.206 -3.527 215 HH22 ARG 40 HH22 ARG 40 -7.311 13.779 -5.005 216 H VAL 41 HN VAL 41 -10.996 8.710 -1.565 217 HA VAL 41 HA VAL 41 -11.547 6.204 -2.879 218 HB VAL 41 HB VAL 41 -9.264 6.925 -1.034 219 HG11 VAL 41 HG11 VAL 41 -9.555 4.664 -3.010 220 HG12 VAL 41 HG12 VAL 41 -9.581 4.518 -1.252 221 HG13 VAL 41 HG13 VAL 41 -8.108 5.037 -2.071 222 HG21 VAL 41 HG21 VAL 41 -7.980 7.204 -3.142 223 HG22 VAL 41 HG22 VAL 41 -9.250 8.405 -2.921 224 HG23 VAL 41 HG23 VAL 41 -9.494 7.061 -4.037 225 H ARG 42 HN ARG 42 -11.838 7.471 0.361 226 HA ARG 42 HA ARG 42 -11.848 5.000 1.716 227 HB2 ARG 42 HB2 ARG 42 -12.817 6.171 3.582 228 HB3 ARG 42 HB1 ARG 42 -11.604 7.194 2.834 229 HG2 ARG 42 HG2 ARG 42 -13.394 8.430 1.690 230 HG3 ARG 42 HG1 ARG 42 -14.585 7.433 2.529 231 HD2 ARG 42 HD2 ARG 42 -13.689 8.209 4.681 232 HD3 ARG 42 HD1 ARG 42 -12.548 9.239 3.819 233 HE ARG 42 HE ARG 42 -15.272 9.726 3.076 234 HH11 ARG 42 HH11 ARG 42 -12.802 10.458 5.443 235 HH12 ARG 42 HH12 ARG 42 -13.531 11.957 5.918 236 HH21 ARG 42 HH21 ARG 42 -16.238 11.678 3.715 237 HH22 ARG 42 HH22 ARG 42 -15.483 12.655 4.938 238 H ARG 43 HN ARG 43 -14.153 6.409 -0.362 239 HA ARG 43 HA ARG 43 -16.466 5.107 0.784 240 HB2 ARG 43 HB2 ARG 43 -16.175 6.565 -1.846 241 HB3 ARG 43 HB1 ARG 43 -17.687 6.112 -1.072 242 HG2 ARG 43 HG2 ARG 43 -17.203 7.609 0.782 243 HG3 ARG 43 HG1 ARG 43 -15.663 8.043 0.040 244 HD2 ARG 43 HD2 ARG 43 -18.416 8.553 -1.078 245 HD3 ARG 43 HD1 ARG 43 -17.307 9.754 -0.421 246 HE ARG 43 HE ARG 43 -16.513 8.179 -2.770 247 HH11 ARG 43 HH11 ARG 43 -17.322 11.264 -1.329 248 HH12 ARG 43 HH12 ARG 43 -16.784 12.181 -2.696 249 HH21 ARG 43 HH21 ARG 43 -15.813 9.379 -4.570 250 HH22 ARG 43 HH22 ARG 43 -15.912 11.113 -4.539 251 H THR 44 HN THR 44 -14.022 4.226 -1.451 252 HA THR 44 HA THR 44 -15.712 2.454 -3.012 253 HB THR 44 HB THR 44 -13.061 1.865 -3.620 254 HG1 THR 44 HG1 THR 44 -12.916 4.576 -3.804 255 HG21 THR 44 HG21 THR 44 -14.778 3.995 -4.908 256 HG22 THR 44 HG22 THR 44 -14.940 2.267 -5.211 257 HG23 THR 44 HG23 THR 44 -13.457 3.107 -5.665 258 HA PRO 45 HA PRO 45 -14.744 -1.361 -0.836 259 HB2 PRO 45 HB2 PRO 45 -14.030 -3.089 -2.811 260 HB3 PRO 45 HB1 PRO 45 -15.702 -2.604 -2.513 261 HG2 PRO 45 HG2 PRO 45 -13.762 -1.568 -4.543 262 HG3 PRO 45 HG1 PRO 45 -15.479 -1.976 -4.741 263 HD2 PRO 45 HD2 PRO 45 -14.637 0.564 -4.446 264 HD3 PRO 45 HD1 PRO 45 -16.187 0.008 -3.786 265 H THR 46 HN THR 46 -13.022 -2.874 -0.304 266 HA THR 46 HA THR 46 -10.535 -1.550 -0.034 267 HB THR 46 HB THR 46 -10.565 -4.455 0.410 268 HG1 THR 46 HG1 THR 46 -12.159 -2.939 2.175 269 HG21 THR 46 HG21 THR 46 -10.060 -2.088 2.216 270 HG22 THR 46 HG22 THR 46 -8.832 -2.986 1.321 271 HG23 THR 46 HG23 THR 46 -9.737 -3.776 2.613 272 H SER 47 HN SER 47 -11.600 -4.302 -2.007 273 HA SER 47 HA SER 47 -9.096 -5.162 -2.872 274 HB2 SER 47 HB2 SER 47 -11.763 -5.369 -4.280 275 HB3 SER 47 HB1 SER 47 -10.325 -6.311 -4.676 276 HG SER 47 HG SER 47 -11.083 -7.647 -3.246 277 H SER 48 HN SER 48 -11.238 -2.713 -4.239 278 HA SER 48 HA SER 48 -9.901 -2.273 -6.643 279 HB2 SER 48 HB2 SER 48 -11.443 -0.361 -4.881 280 HB3 SER 48 HB1 SER 48 -10.983 -0.051 -6.545 281 HG SER 48 HG SER 48 -12.166 -2.096 -7.002 282 H LYS 49 HN LYS 49 -9.446 -0.904 -3.438 283 HA LYS 49 HA LYS 49 -7.517 1.034 -4.115 284 HB2 LYS 49 HB2 LYS 49 -7.747 -0.406 -1.474 285 HB3 LYS 49 HB1 LYS 49 -7.120 1.216 -1.756 286 HG2 LYS 49 HG2 LYS 49 -9.377 1.901 -2.491 287 HG3 LYS 49 HG1 LYS 49 -9.965 0.297 -2.058 288 HD2 LYS 49 HD2 LYS 49 -8.982 0.794 0.267 289 HD3 LYS 49 HD1 LYS 49 -8.948 2.478 -0.268 290 HE2 LYS 49 HE2 LYS 49 -11.278 0.691 0.244 291 HE3 LYS 49 HE1 LYS 49 -11.030 2.370 0.710 292 HZ1 LYS 49 HZ1 LYS 49 -12.690 2.109 -1.024 293 HZ2 LYS 49 HZ2 LYS 49 -11.515 1.464 -2.056 294 HZ3 LYS 49 HZ3 LYS 49 -11.389 3.069 -1.523 295 H VAL 50 HN VAL 50 -7.251 -2.302 -2.976 296 HA VAL 50 HA VAL 50 -4.435 -2.336 -2.730 297 HB VAL 50 HB VAL 50 -6.282 -4.665 -3.296 298 HG11 VAL 50 HG11 VAL 50 -3.945 -5.189 -3.777 299 HG12 VAL 50 HG12 VAL 50 -4.506 -6.047 -2.341 300 HG13 VAL 50 HG13 VAL 50 -3.482 -4.623 -2.173 301 HG21 VAL 50 HG21 VAL 50 -6.200 -5.040 -0.869 302 HG22 VAL 50 HG22 VAL 50 -6.925 -3.483 -1.270 303 HG23 VAL 50 HG23 VAL 50 -5.266 -3.557 -0.680 304 H HIS 51 HN HIS 51 -6.588 -3.204 -5.403 305 HA HIS 51 HA HIS 51 -4.574 -4.144 -7.151 306 HB2 HIS 51 HB2 HIS 51 -7.328 -3.028 -7.692 307 HB3 HIS 51 HB1 HIS 51 -6.285 -3.663 -8.958 308 HD1 HIS 51 HD1 HIS 51 -8.351 -5.367 -9.286 309 HD2 HIS 51 HD2 HIS 51 -6.120 -5.810 -5.803 310 HE1 HIS 51 HE1 HIS 51 -8.926 -7.647 -8.393 311 HE2 HIS 51 HE2 HIS 51 -7.484 -7.939 -6.348 312 H PHE 52 HN PHE 52 -5.924 -0.949 -6.558 313 HA PHE 52 HA PHE 52 -4.675 0.350 -8.743 314 HB2 PHE 52 HB2 PHE 52 -6.601 1.314 -7.543 315 HB3 PHE 52 HB1 PHE 52 -5.607 1.507 -6.104 316 HD1 PHE 52 HD1 PHE 52 -6.242 2.720 -9.499 317 HD2 PHE 52 HD2 PHE 52 -4.008 3.289 -5.925 318 HE1 PHE 52 HE1 PHE 52 -5.548 4.944 -10.289 319 HE2 PHE 52 HE2 PHE 52 -3.313 5.513 -6.706 320 HZ PHE 52 HZ PHE 52 -4.082 6.342 -8.892 321 H LEU 53 HN LEU 53 -3.792 -0.007 -5.328 322 HA LEU 53 HA LEU 53 -1.446 1.526 -5.420 323 HB2 LEU 53 HB2 LEU 53 -2.143 -0.801 -3.630 324 HB3 LEU 53 HB1 LEU 53 -0.823 0.319 -3.354 325 HG LEU 53 HG LEU 53 -3.753 1.048 -3.400 326 HD11 LEU 53 HD11 LEU 53 -1.814 0.765 -1.112 327 HD12 LEU 53 HD12 LEU 53 -3.226 -0.243 -1.438 328 HD13 LEU 53 HD13 LEU 53 -3.436 1.449 -0.992 329 HD21 LEU 53 HD21 LEU 53 -2.386 2.883 -4.183 330 HD22 LEU 53 HD22 LEU 53 -1.309 2.706 -2.799 331 HD23 LEU 53 HD23 LEU 53 -2.976 3.227 -2.558 332 H LYS 54 HN LYS 54 -1.998 -1.926 -5.981 333 HA LYS 54 HA LYS 54 0.631 -2.715 -6.400 334 HB2 LYS 54 HB2 LYS 54 -1.184 -4.305 -6.191 335 HB3 LYS 54 HB1 LYS 54 -1.943 -3.679 -7.650 336 HG2 LYS 54 HG2 LYS 54 -0.848 -5.766 -8.120 337 HG3 LYS 54 HG1 LYS 54 -0.023 -4.454 -8.961 338 HD2 LYS 54 HD2 LYS 54 1.619 -4.398 -7.068 339 HD3 LYS 54 HD1 LYS 54 0.854 -5.864 -6.446 340 HE2 LYS 54 HE2 LYS 54 1.312 -6.966 -8.594 341 HE3 LYS 54 HE1 LYS 54 2.144 -5.514 -9.136 342 HZ1 LYS 54 HZ1 LYS 54 3.763 -5.806 -7.389 343 HZ2 LYS 54 HZ2 LYS 54 3.676 -7.212 -8.322 344 HZ3 LYS 54 HZ3 LYS 54 2.943 -7.163 -6.799 345 H SER 55 HN SER 55 -1.755 -1.315 -8.617 346 HA SER 55 HA SER 55 -0.108 -1.506 -10.928 347 HB2 SER 55 HB2 SER 55 -2.619 -1.337 -10.936 348 HB3 SER 55 HB1 SER 55 -2.449 0.360 -10.493 349 HG SER 55 HG SER 55 -2.166 0.757 -12.527 350 H LYS 56 HN LYS 56 -0.259 0.702 -8.300 351 HA LYS 56 HA LYS 56 1.103 2.838 -9.671 352 HB2 LYS 56 HB2 LYS 56 0.180 2.353 -6.875 353 HB3 LYS 56 HB1 LYS 56 1.406 3.576 -7.159 354 HG2 LYS 56 HG2 LYS 56 -1.255 3.520 -8.561 355 HG3 LYS 56 HG1 LYS 56 -0.933 4.433 -7.085 356 HD2 LYS 56 HD2 LYS 56 0.823 5.688 -8.246 357 HD3 LYS 56 HD1 LYS 56 0.502 4.775 -9.721 358 HE2 LYS 56 HE2 LYS 56 -1.739 5.682 -9.836 359 HE3 LYS 56 HE1 LYS 56 -1.509 6.512 -8.300 360 HZ1 LYS 56 HZ1 LYS 56 0.174 7.887 -9.299 361 HZ2 LYS 56 HZ2 LYS 56 -1.237 7.980 -10.227 362 HZ3 LYS 56 HZ3 LYS 56 0.065 7.044 -10.760 363 H GLY 57 HN GLY 57 2.057 -0.131 -8.584 364 HA2 GLY 57 HA2 GLY 57 4.307 -0.824 -9.004 365 HA3 GLY 57 HA1 GLY 57 4.850 0.789 -8.569 366 H LEU 58 HN LEU 58 2.504 -0.293 -6.416 367 HA LEU 58 HA LEU 58 4.507 -0.647 -4.365 368 HB2 LEU 58 HB2 LEU 58 1.546 -0.387 -4.397 369 HB3 LEU 58 HB1 LEU 58 2.285 -1.190 -3.026 370 HG LEU 58 HG LEU 58 3.741 0.901 -2.805 371 HD11 LEU 58 HD11 LEU 58 1.580 2.003 -4.586 372 HD12 LEU 58 HD12 LEU 58 3.300 1.894 -4.962 373 HD13 LEU 58 HD13 LEU 58 2.745 2.962 -3.674 374 HD21 LEU 58 HD21 LEU 58 0.784 1.075 -2.300 375 HD22 LEU 58 HD22 LEU 58 2.037 2.020 -1.495 376 HD23 LEU 58 HD23 LEU 58 1.970 0.270 -1.272 377 H SER 59 HN SER 59 4.830 -2.441 -3.129 378 HA SER 59 HA SER 59 4.046 -4.994 -4.290 379 HB2 SER 59 HB2 SER 59 5.922 -4.342 -2.008 380 HB3 SER 59 HB1 SER 59 5.721 -5.929 -2.755 381 HG SER 59 HG SER 59 7.486 -4.255 -3.450 382 H ALA 60 HN ALA 60 3.471 -6.736 -2.610 383 HA ALA 60 HA ALA 60 1.097 -6.037 -1.310 384 HB1 ALA 60 HB1 ALA 60 1.635 -8.318 -2.038 385 HB2 ALA 60 HB2 ALA 60 1.152 -8.268 -0.342 386 HB3 ALA 60 HB3 ALA 60 2.855 -8.429 -0.770 387 H GLU 61 HN GLU 61 4.382 -6.336 -0.104 388 HA GLU 61 HA GLU 61 3.935 -6.032 2.637 389 HB2 GLU 61 HB2 GLU 61 6.240 -5.208 0.879 390 HB3 GLU 61 HB1 GLU 61 6.277 -5.064 2.631 391 HG2 GLU 61 HG2 GLU 61 5.568 -7.693 1.472 392 HG3 GLU 61 HG1 GLU 61 7.245 -7.167 1.370 393 H GLU 62 HN GLU 62 4.429 -3.602 0.125 394 HA GLU 62 HA GLU 62 4.495 -1.333 1.790 395 HB2 GLU 62 HB2 GLU 62 3.394 -1.322 -1.015 396 HB3 GLU 62 HB1 GLU 62 4.294 -0.058 -0.193 397 HG2 GLU 62 HG2 GLU 62 5.468 -2.706 -0.990 398 HG3 GLU 62 HG1 GLU 62 5.542 -1.255 -1.983 399 H ILE 63 HN ILE 63 1.908 -2.856 -0.056 400 HA ILE 63 HA ILE 63 -0.154 -1.066 0.607 401 HB ILE 63 HB ILE 63 -0.391 -3.989 -0.127 402 HG12 ILE 63 HG12 ILE 63 -0.470 -1.580 -1.952 403 HG13 ILE 63 HG11 ILE 63 0.962 -2.576 -1.716 404 HG21 ILE 63 HG21 ILE 63 -2.357 -1.716 -0.316 405 HG22 ILE 63 HG22 ILE 63 -2.464 -3.121 0.743 406 HG23 ILE 63 HG23 ILE 63 -2.601 -3.319 -1.003 407 HD11 ILE 63 HD11 ILE 63 -0.221 -4.505 -2.603 408 HD12 ILE 63 HD12 ILE 63 -0.220 -3.170 -3.756 409 HD13 ILE 63 HD13 ILE 63 -1.671 -3.525 -2.818 410 H CYS 64 HN CYS 64 0.874 -4.126 2.057 411 HA CYS 64 HA CYS 64 -1.156 -4.444 3.940 412 HB2 CYS 64 HB2 CYS 64 0.480 -6.190 3.409 413 HB3 CYS 64 HB1 CYS 64 1.764 -5.226 4.125 414 HG CYS 64 HG CYS 64 -0.867 -6.091 6.088 415 H GLU 65 HN GLU 65 1.916 -2.690 4.174 416 HA GLU 65 HA GLU 65 1.591 -1.942 6.878 417 HB2 GLU 65 HB2 GLU 65 3.777 -1.991 5.868 418 HB3 GLU 65 HB1 GLU 65 3.294 -0.808 4.660 419 HG2 GLU 65 HG2 GLU 65 3.135 0.895 6.277 420 HG3 GLU 65 HG1 GLU 65 3.327 -0.245 7.602 421 H ALA 66 HN ALA 66 1.030 -0.242 3.818 422 HA ALA 66 HA ALA 66 0.278 2.231 4.835 423 HB1 ALA 66 HB1 ALA 66 -0.707 0.887 2.327 424 HB2 ALA 66 HB2 ALA 66 0.763 1.849 2.483 425 HB3 ALA 66 HB3 ALA 66 -0.817 2.611 2.687 426 H PHE 67 HN PHE 67 -1.728 -0.621 4.181 427 HA PHE 67 HA PHE 67 -4.194 0.548 4.809 428 HB2 PHE 67 HB2 PHE 67 -3.150 -2.208 4.575 429 HB3 PHE 67 HB1 PHE 67 -4.600 -2.016 5.555 430 HD1 PHE 67 HD1 PHE 67 -3.175 -1.589 2.193 431 HD2 PHE 67 HD2 PHE 67 -6.690 -1.473 4.579 432 HE1 PHE 67 HE1 PHE 67 -4.552 -1.491 0.155 433 HE2 PHE 67 HE2 PHE 67 -8.071 -1.374 2.553 434 HZ PHE 67 HZ PHE 67 -7.004 -1.383 0.334 435 H THR 68 HN THR 68 -1.862 -1.165 6.858 436 HA THR 68 HA THR 68 -3.365 -1.007 9.230 437 HB THR 68 HB THR 68 -0.349 -1.034 9.040 438 HG1 THR 68 HG1 THR 68 -0.931 -2.783 7.852 439 HG21 THR 68 HG21 THR 68 -2.257 -2.097 11.129 440 HG22 THR 68 HG22 THR 68 -1.260 -0.648 11.281 441 HG23 THR 68 HG23 THR 68 -0.498 -2.235 11.171 442 H LYS 69 HN LYS 69 -1.122 1.188 7.667 443 HA LYS 69 HA LYS 69 -0.765 3.073 9.699 444 HB2 LYS 69 HB2 LYS 69 -0.830 3.405 6.706 445 HB3 LYS 69 HB1 LYS 69 -0.307 4.660 7.816 446 HG2 LYS 69 HG2 LYS 69 1.017 2.043 8.054 447 HG3 LYS 69 HG1 LYS 69 1.366 3.003 6.618 448 HD2 LYS 69 HD2 LYS 69 1.674 4.936 8.350 449 HD3 LYS 69 HD1 LYS 69 1.932 3.602 9.479 450 HE2 LYS 69 HE2 LYS 69 3.661 2.711 8.004 451 HE3 LYS 69 HE1 LYS 69 3.400 4.061 6.903 452 HZ1 LYS 69 HZ1 LYS 69 4.318 4.313 9.713 453 HZ2 LYS 69 HZ2 LYS 69 4.133 5.577 8.604 454 HZ3 LYS 69 HZ3 LYS 69 5.318 4.399 8.354 455 H VAL 70 HN VAL 70 -3.368 2.654 7.352 456 HA VAL 70 HA VAL 70 -4.557 5.203 8.103 457 HB VAL 70 HB VAL 70 -6.157 4.861 6.332 458 HG11 VAL 70 HG11 VAL 70 -3.884 5.693 5.796 459 HG12 VAL 70 HG12 VAL 70 -4.685 4.901 4.448 460 HG13 VAL 70 HG13 VAL 70 -3.429 4.051 5.340 461 HG21 VAL 70 HG21 VAL 70 -6.112 2.866 4.897 462 HG22 VAL 70 HG22 VAL 70 -6.558 2.471 6.556 463 HG23 VAL 70 HG23 VAL 70 -4.927 2.126 5.975 464 H GLY 71 HN GLY 71 -4.503 2.429 9.627 465 HA2 GLY 71 HA2 GLY 71 -5.807 1.950 11.512 466 HA3 GLY 71 HA1 GLY 71 -7.083 2.964 10.861 467 H GLN 72 HN GLN 72 -5.791 0.737 8.637 468 HA GLN 72 HA GLN 72 -7.988 -1.148 9.194 469 HB2 GLN 72 HB2 GLN 72 -8.378 0.207 7.150 470 HB3 GLN 72 HB1 GLN 72 -6.850 -0.363 6.498 471 HG2 GLN 72 HG2 GLN 72 -8.628 -1.590 5.486 472 HG3 GLN 72 HG1 GLN 72 -7.734 -2.669 6.554 473 HE21 GLN 72 HE21 GLN 72 -10.667 -0.864 6.113 474 HE22 GLN 72 HE22 GLN 72 -11.611 -1.724 7.277 475 HA PRO 73 HA PRO 73 -4.023 -3.355 9.549 476 HB2 PRO 73 HB2 PRO 73 -4.863 -5.179 11.357 477 HB3 PRO 73 HB1 PRO 73 -4.317 -3.559 11.802 478 HG2 PRO 73 HG2 PRO 73 -7.089 -4.625 11.561 479 HG3 PRO 73 HG1 PRO 73 -6.430 -3.473 12.729 480 HD2 PRO 73 HD2 PRO 73 -7.933 -2.763 10.544 481 HD3 PRO 73 HD1 PRO 73 -6.759 -1.692 11.333 482 H LYS 74 HN LYS 74 -4.112 -4.185 7.500 483 HA LYS 74 HA LYS 74 -5.542 -6.718 7.141 484 HB2 LYS 74 HB2 LYS 74 -4.305 -4.783 5.197 485 HB3 LYS 74 HB1 LYS 74 -4.718 -6.422 4.722 486 HG2 LYS 74 HG2 LYS 74 -6.646 -4.378 5.801 487 HG3 LYS 74 HG1 LYS 74 -6.453 -4.820 4.102 488 HD2 LYS 74 HD2 LYS 74 -7.000 -7.182 4.762 489 HD3 LYS 74 HD1 LYS 74 -7.409 -6.567 6.363 490 HE2 LYS 74 HE2 LYS 74 -9.096 -5.100 5.349 491 HE3 LYS 74 HE1 LYS 74 -8.702 -5.761 3.763 492 HZ1 LYS 74 HZ1 LYS 74 -9.301 -7.991 4.703 493 HZ2 LYS 74 HZ2 LYS 74 -10.595 -6.911 4.546 494 HZ3 LYS 74 HZ3 LYS 74 -9.907 -7.186 6.065 495 H THR 75 HN THR 75 -4.458 -8.591 6.893 496 HA THR 75 HA THR 75 -1.677 -8.639 7.592 497 HB THR 75 HB THR 75 -1.895 -11.109 7.275 498 HG1 THR 75 HG1 THR 75 -4.300 -11.686 7.093 499 HG21 THR 75 HG21 THR 75 -3.407 -11.470 9.166 500 HG22 THR 75 HG22 THR 75 -4.032 -9.832 8.983 501 HG23 THR 75 HG23 THR 75 -2.351 -10.087 9.450 502 H LEU 76 HN LEU 76 -0.060 -9.764 6.280 503 HA LEU 76 HA LEU 76 0.096 -8.820 3.639 504 HB2 LEU 76 HB2 LEU 76 2.057 -9.407 4.985 505 HB3 LEU 76 HB1 LEU 76 1.570 -11.090 4.983 506 HG LEU 76 HG LEU 76 1.893 -11.162 2.542 507 HD11 LEU 76 HD11 LEU 76 1.491 -8.828 2.026 508 HD12 LEU 76 HD12 LEU 76 3.079 -9.324 1.439 509 HD13 LEU 76 HD13 LEU 76 2.944 -8.363 2.913 510 HD21 LEU 76 HD21 LEU 76 4.285 -10.202 4.103 511 HD22 LEU 76 HD22 LEU 76 4.331 -11.109 2.593 512 HD23 LEU 76 HD23 LEU 76 3.679 -11.857 4.048 513 H ASN 77 HN ASN 77 -1.051 -11.769 5.066 514 HA ASN 77 HA ASN 77 -1.400 -13.355 2.794 515 HB2 ASN 77 HB2 ASN 77 -1.616 -14.160 5.117 516 HB3 ASN 77 HB1 ASN 77 -3.104 -13.242 5.289 517 HD21 ASN 77 HD21 ASN 77 -1.597 -15.996 3.819 518 HD22 ASN 77 HD22 ASN 77 -3.056 -16.781 3.323 519 H GLU 78 HN GLU 78 -3.569 -11.014 4.335 520 HA GLU 78 HA GLU 78 -5.799 -11.318 2.687 521 HB2 GLU 78 HB2 GLU 78 -4.708 -9.019 4.271 522 HB3 GLU 78 HB1 GLU 78 -6.101 -8.779 3.225 523 HG2 GLU 78 HG2 GLU 78 -5.980 -10.881 5.357 524 HG3 GLU 78 HG1 GLU 78 -6.607 -9.257 5.623 525 H ILE 79 HN ILE 79 -3.031 -9.129 2.340 526 HA ILE 79 HA ILE 79 -3.938 -7.818 0.038 527 HB ILE 79 HB ILE 79 -1.054 -8.301 0.795 528 HG12 ILE 79 HG12 ILE 79 -2.249 -7.358 2.702 529 HG13 ILE 79 HG11 ILE 79 -1.204 -6.136 1.987 530 HG21 ILE 79 HG21 ILE 79 -1.288 -7.433 -1.441 531 HG22 ILE 79 HG22 ILE 79 -0.684 -6.158 -0.383 532 HG23 ILE 79 HG23 ILE 79 -2.377 -6.169 -0.874 533 HD11 ILE 79 HD11 ILE 79 -4.183 -6.371 1.634 534 HD12 ILE 79 HD12 ILE 79 -3.156 -5.177 0.841 535 HD13 ILE 79 HD13 ILE 79 -3.323 -5.169 2.597 536 H LYS 80 HN LYS 80 -1.927 -10.703 0.439 537 HA LYS 80 HA LYS 80 -1.371 -11.173 -2.270 538 HB2 LYS 80 HB2 LYS 80 -1.655 -13.086 0.047 539 HB3 LYS 80 HB1 LYS 80 -1.071 -13.560 -1.544 540 HG2 LYS 80 HG2 LYS 80 0.788 -12.043 -1.340 541 HG3 LYS 80 HG1 LYS 80 0.194 -11.476 0.217 542 HD2 LYS 80 HD2 LYS 80 0.515 -13.670 1.180 543 HD3 LYS 80 HD1 LYS 80 0.994 -14.320 -0.389 544 HE2 LYS 80 HE2 LYS 80 2.978 -13.004 -0.414 545 HE3 LYS 80 HE1 LYS 80 2.464 -12.093 1.003 546 HZ1 LYS 80 HZ1 LYS 80 2.625 -14.127 2.308 547 HZ2 LYS 80 HZ2 LYS 80 4.106 -13.754 1.583 548 HZ3 LYS 80 HZ3 LYS 80 3.138 -14.983 0.943 549 H ARG 81 HN ARG 81 -4.031 -12.274 -0.234 550 HA ARG 81 HA ARG 81 -5.338 -13.845 -2.170 551 HB2 ARG 81 HB2 ARG 81 -5.926 -14.034 0.172 552 HB3 ARG 81 HB1 ARG 81 -6.458 -12.360 0.213 553 HG2 ARG 81 HG2 ARG 81 -8.346 -13.891 0.141 554 HG3 ARG 81 HG1 ARG 81 -8.285 -12.886 -1.304 555 HD2 ARG 81 HD2 ARG 81 -8.821 -15.195 -1.869 556 HD3 ARG 81 HD1 ARG 81 -7.265 -14.721 -2.548 557 HE ARG 81 HE ARG 81 -7.221 -16.107 0.013 558 HH11 ARG 81 HH11 ARG 81 -6.835 -16.286 -3.461 559 HH12 ARG 81 HH12 ARG 81 -5.937 -17.770 -3.411 560 HH21 ARG 81 HH21 ARG 81 -6.047 -18.069 0.079 561 HH22 ARG 81 HH22 ARG 81 -5.496 -18.783 -1.404 562 H ILE 82 HN ILE 82 -5.741 -10.453 -1.259 563 HA ILE 82 HA ILE 82 -7.869 -9.905 -3.021 564 HB ILE 82 HB ILE 82 -5.829 -8.026 -1.817 565 HG12 ILE 82 HG12 ILE 82 -8.675 -8.570 -0.952 566 HG13 ILE 82 HG11 ILE 82 -7.293 -9.422 -0.273 567 HG21 ILE 82 HG21 ILE 82 -6.909 -7.022 -3.762 568 HG22 ILE 82 HG22 ILE 82 -7.459 -6.256 -2.271 569 HG23 ILE 82 HG23 ILE 82 -8.494 -7.421 -3.099 570 HD11 ILE 82 HD11 ILE 82 -7.828 -6.465 -0.119 571 HD12 ILE 82 HD12 ILE 82 -6.384 -7.267 0.498 572 HD13 ILE 82 HD13 ILE 82 -7.961 -7.639 1.193 573 H LEU 83 HN LEU 83 -4.360 -9.727 -3.414 574 HA LEU 83 HA LEU 83 -4.558 -8.577 -6.051 575 HB2 LEU 83 HB2 LEU 83 -2.257 -9.697 -4.471 576 HB3 LEU 83 HB1 LEU 83 -2.077 -9.127 -6.118 577 HG LEU 83 HG LEU 83 -2.996 -7.445 -3.786 578 HD11 LEU 83 HD11 LEU 83 -0.652 -8.038 -3.589 579 HD12 LEU 83 HD12 LEU 83 -0.822 -6.338 -4.027 580 HD13 LEU 83 HD13 LEU 83 -0.363 -7.523 -5.251 581 HD21 LEU 83 HD21 LEU 83 -2.678 -5.574 -5.373 582 HD22 LEU 83 HD22 LEU 83 -3.980 -6.664 -5.839 583 HD23 LEU 83 HD23 LEU 83 -2.423 -6.749 -6.662 584 H SER 84 HN SER 84 -5.121 -11.625 -4.892 585 HA SER 84 HA SER 84 -4.119 -12.996 -7.262 586 HB2 SER 84 HB2 SER 84 -3.897 -14.021 -4.980 587 HB3 SER 84 HB1 SER 84 -5.654 -14.139 -4.913 588 HG SER 84 HG SER 84 -5.634 -15.670 -6.446 Start of MODEL 9 1 H1 LYS 15 HT1 LYS 15 26.836 -3.871 -8.652 2 H2 LYS 15 HT2 LYS 15 28.171 -4.127 -7.649 3 H3 LYS 15 HT3 LYS 15 28.356 -3.288 -9.102 4 HA LYS 15 HA LYS 15 28.362 -1.809 -7.186 5 HB2 LYS 15 HB2 LYS 15 25.948 -1.531 -8.983 6 HB3 LYS 15 HB1 LYS 15 26.664 -0.238 -8.035 7 HG2 LYS 15 HG2 LYS 15 28.717 -0.406 -9.335 8 HG3 LYS 15 HG1 LYS 15 28.016 -1.726 -10.276 9 HD2 LYS 15 HD2 LYS 15 26.265 -0.235 -11.082 10 HD3 LYS 15 HD1 LYS 15 26.932 1.084 -10.119 11 HE2 LYS 15 HE2 LYS 15 29.002 0.983 -11.407 12 HE3 LYS 15 HE1 LYS 15 28.355 -0.352 -12.357 13 HZ1 LYS 15 HZ1 LYS 15 27.261 2.405 -12.261 14 HZ2 LYS 15 HZ2 LYS 15 26.599 1.127 -13.144 15 HZ3 LYS 15 HZ3 LYS 15 28.128 1.723 -13.541 16 HA PRO 16 HA PRO 16 25.492 -3.045 -4.030 17 HB2 PRO 16 HB2 PRO 16 26.262 -1.315 -2.125 18 HB3 PRO 16 HB1 PRO 16 27.278 -2.676 -2.612 19 HG2 PRO 16 HG2 PRO 16 27.493 0.207 -3.341 20 HG3 PRO 16 HG1 PRO 16 28.779 -0.961 -2.994 21 HD2 PRO 16 HD2 PRO 16 27.971 -0.187 -5.529 22 HD3 PRO 16 HD1 PRO 16 28.843 -1.685 -5.158 23 H GLU 17 HN GLU 17 23.394 -2.549 -4.013 24 HA GLU 17 HA GLU 17 22.545 0.120 -4.752 25 HB2 GLU 17 HB2 GLU 17 21.445 -1.899 -5.701 26 HB3 GLU 17 HB1 GLU 17 20.861 -2.307 -4.095 27 HG2 GLU 17 HG2 GLU 17 19.581 -0.241 -4.028 28 HG3 GLU 17 HG1 GLU 17 20.173 0.191 -5.628 29 H VAL 18 HN VAL 18 23.193 1.312 -2.967 30 HA VAL 18 HA VAL 18 21.661 0.831 -0.496 31 HB VAL 18 HB VAL 18 24.221 2.419 -0.729 32 HG11 VAL 18 HG11 VAL 18 24.297 2.179 1.709 33 HG12 VAL 18 HG12 VAL 18 22.751 1.333 1.670 34 HG13 VAL 18 HG13 VAL 18 22.843 3.024 1.179 35 HG21 VAL 18 HG21 VAL 18 25.359 0.494 0.274 36 HG22 VAL 18 HG22 VAL 18 24.673 0.097 -1.302 37 HG23 VAL 18 HG23 VAL 18 23.865 -0.439 0.170 38 H GLU 19 HN GLU 19 22.330 2.991 -3.067 39 HA GLU 19 HA GLU 19 21.515 5.406 -1.796 40 HB2 GLU 19 HB2 GLU 19 21.775 4.674 -4.714 41 HB3 GLU 19 HB1 GLU 19 21.473 6.301 -4.118 42 HG2 GLU 19 HG2 GLU 19 23.909 4.634 -3.518 43 HG3 GLU 19 HG1 GLU 19 23.822 5.964 -4.674 44 H HIS 20 HN HIS 20 19.531 5.671 -1.074 45 HA HIS 20 HA HIS 20 17.278 5.813 -0.945 46 HB2 HIS 20 HB2 HIS 20 17.535 5.582 -3.935 47 HB3 HIS 20 HB1 HIS 20 15.965 5.686 -3.149 48 HD1 HIS 20 HD1 HIS 20 18.535 7.747 -4.589 49 HD2 HIS 20 HD2 HIS 20 15.755 8.172 -1.529 50 HE1 HIS 20 HE1 HIS 20 18.297 10.222 -4.225 51 HE2 HIS 20 HE2 HIS 20 16.763 10.442 -2.244 52 H THR 21 HN THR 21 17.257 3.886 0.280 53 HA THR 21 HA THR 21 16.278 1.527 -1.181 54 HB THR 21 HB THR 21 17.409 1.611 1.625 55 HG1 THR 21 HG1 THR 21 18.698 1.739 -0.691 56 HG21 THR 21 HG21 THR 21 16.781 -0.716 -0.195 57 HG22 THR 21 HG22 THR 21 15.848 -0.238 1.222 58 HG23 THR 21 HG23 THR 21 17.500 -0.823 1.411 59 H HIS 22 HN HIS 22 15.891 2.910 2.102 60 HA HIS 22 HA HIS 22 13.275 1.766 2.347 61 HB2 HIS 22 HB2 HIS 22 14.840 3.668 4.080 62 HB3 HIS 22 HB1 HIS 22 13.194 3.190 4.464 63 HD1 HIS 22 HD1 HIS 22 13.591 1.781 6.498 64 HD2 HIS 22 HD2 HIS 22 16.018 0.686 3.304 65 HE1 HIS 22 HE1 HIS 22 14.730 -0.345 7.209 66 HE2 HIS 22 HE2 HIS 22 16.274 -0.929 5.305 67 H SER 23 HN SER 23 14.573 4.892 1.507 68 HA SER 23 HA SER 23 12.332 6.497 1.865 69 HB2 SER 23 HB2 SER 23 13.382 7.949 0.111 70 HB3 SER 23 HB1 SER 23 14.494 7.462 1.390 71 HG SER 23 HG SER 23 14.351 6.591 -1.293 72 H GLU 24 HN GLU 24 13.190 4.352 -0.773 73 HA GLU 24 HA GLU 24 11.291 5.358 -2.618 74 HB2 GLU 24 HB2 GLU 24 12.612 2.643 -2.574 75 HB3 GLU 24 HB1 GLU 24 11.828 3.396 -3.957 76 HG2 GLU 24 HG2 GLU 24 14.389 4.167 -2.609 77 HG3 GLU 24 HG1 GLU 24 14.126 3.694 -4.286 78 H ARG 25 HN ARG 25 11.279 2.495 -0.489 79 HA ARG 25 HA ARG 25 8.618 1.791 -1.207 80 HB2 ARG 25 HB2 ARG 25 8.663 0.194 0.563 81 HB3 ARG 25 HB1 ARG 25 10.258 0.195 -0.173 82 HG2 ARG 25 HG2 ARG 25 11.204 1.354 1.653 83 HG3 ARG 25 HG1 ARG 25 9.616 1.757 2.310 84 HD2 ARG 25 HD2 ARG 25 10.870 -0.980 2.145 85 HD3 ARG 25 HD1 ARG 25 10.581 -0.032 3.602 86 HE ARG 25 HE ARG 25 8.663 -1.611 2.136 87 HH11 ARG 25 HH11 ARG 25 9.075 1.006 4.441 88 HH12 ARG 25 HH12 ARG 25 7.472 0.834 5.093 89 HH21 ARG 25 HH21 ARG 25 6.563 -1.809 3.018 90 HH22 ARG 25 HH22 ARG 25 6.065 -0.733 4.292 91 H GLU 26 HN GLU 26 10.049 3.825 1.283 92 HA GLU 26 HA GLU 26 7.768 4.141 2.886 93 HB2 GLU 26 HB2 GLU 26 9.961 4.736 3.705 94 HB3 GLU 26 HB1 GLU 26 10.135 5.966 2.460 95 HG2 GLU 26 HG2 GLU 26 8.387 7.279 3.442 96 HG3 GLU 26 HG1 GLU 26 8.045 6.013 4.620 97 H LYS 27 HN LYS 27 8.966 6.072 0.137 98 HA LYS 27 HA LYS 27 6.926 8.017 0.308 99 HB2 LYS 27 HB2 LYS 27 7.532 8.663 -1.965 100 HB3 LYS 27 HB1 LYS 27 8.971 8.413 -0.989 101 HG2 LYS 27 HG2 LYS 27 9.455 6.364 -2.053 102 HG3 LYS 27 HG1 LYS 27 7.871 6.308 -2.825 103 HD2 LYS 27 HD2 LYS 27 9.988 8.384 -3.381 104 HD3 LYS 27 HD1 LYS 27 9.693 6.954 -4.370 105 HE2 LYS 27 HE2 LYS 27 7.320 7.767 -4.626 106 HE3 LYS 27 HE1 LYS 27 7.843 9.276 -3.881 107 HZ1 LYS 27 HZ1 LYS 27 9.000 8.120 -6.357 108 HZ2 LYS 27 HZ2 LYS 27 9.396 9.612 -5.665 109 HZ3 LYS 27 HZ3 LYS 27 7.856 9.366 -6.312 110 H ARG 28 HN ARG 28 7.107 4.882 -1.275 111 HA ARG 28 HA ARG 28 4.671 5.169 -2.714 112 HB2 ARG 28 HB2 ARG 28 6.172 2.681 -1.882 113 HB3 ARG 28 HB1 ARG 28 4.783 2.692 -2.961 114 HG2 ARG 28 HG2 ARG 28 6.131 4.309 -4.398 115 HG3 ARG 28 HG1 ARG 28 7.520 3.816 -3.428 116 HD2 ARG 28 HD2 ARG 28 5.743 1.973 -5.020 117 HD3 ARG 28 HD1 ARG 28 7.329 2.545 -5.522 118 HE ARG 28 HE ARG 28 6.934 0.880 -3.104 119 HH11 ARG 28 HH11 ARG 28 8.693 1.689 -6.029 120 HH12 ARG 28 HH12 ARG 28 9.761 0.330 -5.916 121 HH21 ARG 28 HH21 ARG 28 8.321 -0.926 -2.968 122 HH22 ARG 28 HH22 ARG 28 9.568 -1.147 -4.164 123 H VAL 29 HN VAL 29 5.513 3.730 0.412 124 HA VAL 29 HA VAL 29 2.930 2.924 1.150 125 HB VAL 29 HB VAL 29 5.222 3.868 2.887 126 HG11 VAL 29 HG11 VAL 29 3.113 4.102 4.097 127 HG12 VAL 29 HG12 VAL 29 4.073 2.775 4.752 128 HG13 VAL 29 HG13 VAL 29 2.695 2.433 3.706 129 HG21 VAL 29 HG21 VAL 29 5.718 1.871 1.587 130 HG22 VAL 29 HG22 VAL 29 4.246 1.101 2.180 131 HG23 VAL 29 HG23 VAL 29 5.559 1.472 3.298 132 H SER 30 HN SER 30 4.621 6.013 1.604 133 HA SER 30 HA SER 30 2.593 7.344 3.008 134 HB2 SER 30 HB2 SER 30 4.598 8.550 1.084 135 HB3 SER 30 HB1 SER 30 3.723 9.407 2.353 136 HG SER 30 HG SER 30 5.667 7.360 2.667 137 H ASN 31 HN ASN 31 3.213 7.108 -0.482 138 HA ASN 31 HA ASN 31 1.074 8.716 -1.345 139 HB2 ASN 31 HB2 ASN 31 2.747 6.596 -2.607 140 HB3 ASN 31 HB1 ASN 31 1.249 7.047 -3.414 141 HD21 ASN 31 HD21 ASN 31 4.417 8.103 -2.442 142 HD22 ASN 31 HD22 ASN 31 4.448 9.539 -3.413 143 H ALA 32 HN ALA 32 1.252 5.344 -0.448 144 HA ALA 32 HA ALA 32 -1.391 4.669 -1.273 145 HB1 ALA 32 HB1 ALA 32 0.420 3.304 0.711 146 HB2 ALA 32 HB2 ALA 32 0.345 2.978 -1.021 147 HB3 ALA 32 HB3 ALA 32 -1.044 2.620 0.005 148 H VAL 33 HN VAL 33 0.077 5.559 1.827 149 HA VAL 33 HA VAL 33 -2.211 5.236 3.418 150 HB VAL 33 HB VAL 33 0.177 7.061 3.763 151 HG11 VAL 33 HG11 VAL 33 -0.478 7.299 6.102 152 HG12 VAL 33 HG12 VAL 33 -1.951 6.382 5.791 153 HG13 VAL 33 HG13 VAL 33 -1.717 7.955 5.031 154 HG21 VAL 33 HG21 VAL 33 0.703 4.685 3.785 155 HG22 VAL 33 HG22 VAL 33 -0.539 4.405 5.004 156 HG23 VAL 33 HG23 VAL 33 0.882 5.370 5.401 157 H GLU 34 HN GLU 34 -0.997 8.067 1.647 158 HA GLU 34 HA GLU 34 -3.032 9.820 2.546 159 HB2 GLU 34 HB2 GLU 34 -2.250 11.348 0.861 160 HB3 GLU 34 HB1 GLU 34 -0.857 10.545 1.572 161 HG2 GLU 34 HG2 GLU 34 -0.586 9.155 -0.323 162 HG3 GLU 34 HG1 GLU 34 -2.118 9.689 -1.009 163 H PHE 35 HN PHE 35 -2.771 7.620 -0.177 164 HA PHE 35 HA PHE 35 -5.112 8.526 -1.529 165 HB2 PHE 35 HB2 PHE 35 -3.416 7.383 -2.785 166 HB3 PHE 35 HB1 PHE 35 -3.479 5.990 -1.716 167 HD1 PHE 35 HD1 PHE 35 -5.508 7.906 -4.174 168 HD2 PHE 35 HD2 PHE 35 -4.835 4.182 -2.225 169 HE1 PHE 35 HE1 PHE 35 -7.121 6.827 -5.685 170 HE2 PHE 35 HE2 PHE 35 -6.446 3.097 -3.732 171 HZ PHE 35 HZ PHE 35 -7.594 4.420 -5.464 172 H LEU 36 HN LEU 36 -4.407 5.862 0.697 173 HA LEU 36 HA LEU 36 -6.958 4.665 0.589 174 HB2 LEU 36 HB2 LEU 36 -4.821 4.631 2.698 175 HB3 LEU 36 HB1 LEU 36 -6.246 3.617 2.758 176 HG LEU 36 HG LEU 36 -4.123 3.546 0.611 177 HD11 LEU 36 HD11 LEU 36 -3.324 2.681 2.742 178 HD12 LEU 36 HD12 LEU 36 -3.538 1.380 1.569 179 HD13 LEU 36 HD13 LEU 36 -4.729 1.620 2.847 180 HD21 LEU 36 HD21 LEU 36 -5.285 1.510 -0.129 181 HD22 LEU 36 HD22 LEU 36 -6.291 2.949 -0.282 182 HD23 LEU 36 HD23 LEU 36 -6.557 1.824 1.049 183 H LEU 37 HN LEU 37 -5.705 7.345 2.429 184 HA LEU 37 HA LEU 37 -7.929 7.335 4.275 185 HB2 LEU 37 HB2 LEU 37 -5.399 8.848 3.995 186 HB3 LEU 37 HB1 LEU 37 -6.722 9.661 4.810 187 HG LEU 37 HG LEU 37 -5.560 6.997 5.620 188 HD11 LEU 37 HD11 LEU 37 -4.013 8.841 6.029 189 HD12 LEU 37 HD12 LEU 37 -4.668 8.213 7.540 190 HD13 LEU 37 HD13 LEU 37 -5.283 9.725 6.875 191 HD21 LEU 37 HD21 LEU 37 -6.946 7.367 7.653 192 HD22 LEU 37 HD22 LEU 37 -7.888 7.114 6.185 193 HD23 LEU 37 HD23 LEU 37 -7.696 8.740 6.835 194 H ASP 38 HN ASP 38 -7.662 8.315 1.161 195 HA ASP 38 HA ASP 38 -8.879 10.882 1.302 196 HB2 ASP 38 HB2 ASP 38 -7.619 9.968 -0.692 197 HB3 ASP 38 HB1 ASP 38 -9.007 8.939 -1.015 198 H SER 39 HN SER 39 -11.029 11.455 1.216 199 HA SER 39 HA SER 39 -12.818 9.685 2.467 200 HB2 SER 39 HB2 SER 39 -13.522 12.224 0.986 201 HB3 SER 39 HB1 SER 39 -14.420 11.470 2.304 202 HG SER 39 HG SER 39 -12.965 13.302 2.835 203 H ARG 40 HN ARG 40 -12.292 10.481 -0.908 204 HA ARG 40 HA ARG 40 -14.631 9.201 -1.919 205 HB2 ARG 40 HB2 ARG 40 -11.958 9.752 -3.216 206 HB3 ARG 40 HB1 ARG 40 -13.383 9.182 -4.073 207 HG2 ARG 40 HG2 ARG 40 -14.523 11.198 -3.743 208 HG3 ARG 40 HG1 ARG 40 -13.397 11.728 -2.493 209 HD2 ARG 40 HD2 ARG 40 -12.735 11.353 -5.409 210 HD3 ARG 40 HD1 ARG 40 -13.033 12.900 -4.616 211 HE ARG 40 HE ARG 40 -11.022 11.734 -3.155 212 HH11 ARG 40 HH11 ARG 40 -11.464 12.576 -6.524 213 HH12 ARG 40 HH12 ARG 40 -9.782 12.904 -6.792 214 HH21 ARG 40 HH21 ARG 40 -8.816 12.185 -3.492 215 HH22 ARG 40 HH22 ARG 40 -8.274 12.680 -5.071 216 H VAL 41 HN VAL 41 -11.410 8.153 -1.081 217 HA VAL 41 HA VAL 41 -11.633 5.632 -2.450 218 HB VAL 41 HB VAL 41 -9.498 6.680 -0.586 219 HG11 VAL 41 HG11 VAL 41 -8.098 4.867 -1.440 220 HG12 VAL 41 HG12 VAL 41 -9.460 4.252 -2.375 221 HG13 VAL 41 HG13 VAL 41 -9.522 4.233 -0.613 222 HG21 VAL 41 HG21 VAL 41 -9.569 6.456 -3.593 223 HG22 VAL 41 HG22 VAL 41 -8.226 7.066 -2.626 224 HG23 VAL 41 HG23 VAL 41 -9.753 7.948 -2.671 225 H ARG 42 HN ARG 42 -11.814 6.764 0.886 226 HA ARG 42 HA ARG 42 -11.973 4.244 2.110 227 HB2 ARG 42 HB2 ARG 42 -12.985 5.392 4.000 228 HB3 ARG 42 HB1 ARG 42 -11.618 6.297 3.373 229 HG2 ARG 42 HG2 ARG 42 -13.160 7.786 2.201 230 HG3 ARG 42 HG1 ARG 42 -14.521 6.883 2.871 231 HD2 ARG 42 HD2 ARG 42 -14.140 8.849 4.197 232 HD3 ARG 42 HD1 ARG 42 -13.724 7.414 5.129 233 HE ARG 42 HE ARG 42 -11.548 8.783 3.755 234 HH11 ARG 42 HH11 ARG 42 -13.249 8.145 6.746 235 HH12 ARG 42 HH12 ARG 42 -11.958 8.720 7.752 236 HH21 ARG 42 HH21 ARG 42 -9.851 9.570 5.077 237 HH22 ARG 42 HH22 ARG 42 -10.039 9.544 6.806 238 H ARG 43 HN ARG 43 -14.193 5.897 0.115 239 HA ARG 43 HA ARG 43 -16.555 4.541 1.097 240 HB2 ARG 43 HB2 ARG 43 -16.615 6.871 0.249 241 HB3 ARG 43 HB1 ARG 43 -16.166 6.284 -1.344 242 HG2 ARG 43 HG2 ARG 43 -18.260 4.927 -1.348 243 HG3 ARG 43 HG1 ARG 43 -18.718 5.739 0.151 244 HD2 ARG 43 HD2 ARG 43 -18.158 7.072 -2.494 245 HD3 ARG 43 HD1 ARG 43 -19.749 6.809 -1.784 246 HE ARG 43 HE ARG 43 -18.906 8.287 0.087 247 HH11 ARG 43 HH11 ARG 43 -17.675 8.568 -3.189 248 HH12 ARG 43 HH12 ARG 43 -17.331 10.262 -3.043 249 HH21 ARG 43 HH21 ARG 43 -18.440 10.521 0.267 250 HH22 ARG 43 HH22 ARG 43 -17.767 11.373 -1.089 251 H THR 44 HN THR 44 -14.083 3.914 -1.204 252 HA THR 44 HA THR 44 -15.740 2.210 -2.889 253 HB THR 44 HB THR 44 -13.056 1.830 -3.584 254 HG1 THR 44 HG1 THR 44 -13.314 4.603 -3.478 255 HG21 THR 44 HG21 THR 44 -14.906 3.905 -4.764 256 HG22 THR 44 HG22 THR 44 -15.044 2.181 -5.090 257 HG23 THR 44 HG23 THR 44 -13.592 3.055 -5.576 258 HA PRO 45 HA PRO 45 -14.569 -1.701 -1.037 259 HB2 PRO 45 HB2 PRO 45 -13.811 -3.236 -3.144 260 HB3 PRO 45 HB1 PRO 45 -15.500 -2.832 -2.810 261 HG2 PRO 45 HG2 PRO 45 -13.586 -1.557 -4.733 262 HG3 PRO 45 HG1 PRO 45 -15.280 -2.032 -4.992 263 HD2 PRO 45 HD2 PRO 45 -14.589 0.508 -4.486 264 HD3 PRO 45 HD1 PRO 45 -16.098 -0.181 -3.859 265 H THR 46 HN THR 46 -12.784 -3.043 -0.476 266 HA THR 46 HA THR 46 -10.330 -1.643 -0.336 267 HB THR 46 HB THR 46 -10.348 -4.550 0.202 268 HG1 THR 46 HG1 THR 46 -11.776 -4.390 1.888 269 HG21 THR 46 HG21 THR 46 -8.478 -3.105 0.866 270 HG22 THR 46 HG22 THR 46 -9.264 -3.826 2.268 271 HG23 THR 46 HG23 THR 46 -9.578 -2.143 1.854 272 H SER 47 HN SER 47 -11.545 -4.229 -2.366 273 HA SER 47 HA SER 47 -9.159 -5.229 -3.375 274 HB2 SER 47 HB2 SER 47 -11.802 -5.002 -4.819 275 HB3 SER 47 HB1 SER 47 -10.498 -6.127 -5.199 276 HG SER 47 HG SER 47 -11.291 -7.405 -3.755 277 H SER 48 HN SER 48 -11.112 -2.512 -4.497 278 HA SER 48 HA SER 48 -9.737 -1.916 -6.837 279 HB2 SER 48 HB2 SER 48 -11.142 -0.086 -4.884 280 HB3 SER 48 HB1 SER 48 -10.708 0.328 -6.535 281 HG SER 48 HG SER 48 -12.383 -0.736 -7.226 282 H LYS 49 HN LYS 49 -9.280 -0.722 -3.546 283 HA LYS 49 HA LYS 49 -7.226 1.105 -4.013 284 HB2 LYS 49 HB2 LYS 49 -7.597 -0.601 -1.552 285 HB3 LYS 49 HB1 LYS 49 -6.761 0.945 -1.642 286 HG2 LYS 49 HG2 LYS 49 -8.751 2.123 -1.974 287 HG3 LYS 49 HG1 LYS 49 -9.652 0.656 -2.355 288 HD2 LYS 49 HD2 LYS 49 -9.159 -0.090 0.016 289 HD3 LYS 49 HD1 LYS 49 -8.610 1.561 0.316 290 HE2 LYS 49 HE2 LYS 49 -11.215 0.612 0.480 291 HE3 LYS 49 HE1 LYS 49 -10.708 2.301 0.493 292 HZ1 LYS 49 HZ1 LYS 49 -11.505 0.700 -1.872 293 HZ2 LYS 49 HZ2 LYS 49 -10.871 2.267 -1.950 294 HZ3 LYS 49 HZ3 LYS 49 -12.349 1.996 -1.179 295 H VAL 50 HN VAL 50 -7.057 -2.318 -3.129 296 HA VAL 50 HA VAL 50 -4.243 -2.389 -2.841 297 HB VAL 50 HB VAL 50 -6.107 -4.683 -3.474 298 HG11 VAL 50 HG11 VAL 50 -4.358 -6.094 -2.496 299 HG12 VAL 50 HG12 VAL 50 -3.319 -4.679 -2.325 300 HG13 VAL 50 HG13 VAL 50 -3.782 -5.241 -3.930 301 HG21 VAL 50 HG21 VAL 50 -5.109 -3.647 -0.822 302 HG22 VAL 50 HG22 VAL 50 -6.091 -5.092 -1.061 303 HG23 VAL 50 HG23 VAL 50 -6.755 -3.503 -1.439 304 H HIS 51 HN HIS 51 -6.373 -3.114 -5.565 305 HA HIS 51 HA HIS 51 -4.349 -4.030 -7.323 306 HB2 HIS 51 HB2 HIS 51 -7.066 -2.819 -7.876 307 HB3 HIS 51 HB1 HIS 51 -6.021 -3.473 -9.129 308 HD1 HIS 51 HD1 HIS 51 -8.203 -5.068 -9.478 309 HD2 HIS 51 HD2 HIS 51 -5.932 -5.709 -6.056 310 HE1 HIS 51 HE1 HIS 51 -8.875 -7.336 -8.633 311 HE2 HIS 51 HE2 HIS 51 -7.397 -7.759 -6.638 312 H PHE 52 HN PHE 52 -5.709 -0.853 -6.651 313 HA PHE 52 HA PHE 52 -4.376 0.558 -8.698 314 HB2 PHE 52 HB2 PHE 52 -6.316 1.458 -7.470 315 HB3 PHE 52 HB1 PHE 52 -5.347 1.548 -6.005 316 HD1 PHE 52 HD1 PHE 52 -3.761 3.311 -5.673 317 HD2 PHE 52 HD2 PHE 52 -5.909 2.991 -9.330 318 HE1 PHE 52 HE1 PHE 52 -3.051 5.585 -6.283 319 HE2 PHE 52 HE2 PHE 52 -5.201 5.264 -9.945 320 HZ PHE 52 HZ PHE 52 -3.773 6.564 -8.423 321 H LEU 53 HN LEU 53 -3.575 0.033 -5.273 322 HA LEU 53 HA LEU 53 -1.221 1.562 -5.274 323 HB2 LEU 53 HB2 LEU 53 -1.974 -0.779 -3.526 324 HB3 LEU 53 HB1 LEU 53 -0.656 0.332 -3.206 325 HG LEU 53 HG LEU 53 -3.593 1.026 -3.271 326 HD11 LEU 53 HD11 LEU 53 -3.032 -0.188 -1.283 327 HD12 LEU 53 HD12 LEU 53 -3.222 1.516 -0.871 328 HD13 LEU 53 HD13 LEU 53 -1.609 0.819 -1.016 329 HD21 LEU 53 HD21 LEU 53 -2.853 3.244 -2.481 330 HD22 LEU 53 HD22 LEU 53 -2.300 2.884 -4.114 331 HD23 LEU 53 HD23 LEU 53 -1.180 2.761 -2.758 332 H LYS 54 HN LYS 54 -1.768 -1.879 -5.904 333 HA LYS 54 HA LYS 54 0.911 -2.644 -6.216 334 HB2 LYS 54 HB2 LYS 54 -0.746 -4.352 -6.103 335 HB3 LYS 54 HB1 LYS 54 -1.644 -3.665 -7.448 336 HG2 LYS 54 HG2 LYS 54 -0.472 -5.707 -8.089 337 HG3 LYS 54 HG1 LYS 54 0.112 -4.311 -8.991 338 HD2 LYS 54 HD2 LYS 54 2.000 -5.636 -8.351 339 HD3 LYS 54 HD1 LYS 54 2.017 -4.157 -7.392 340 HE2 LYS 54 HE2 LYS 54 1.054 -5.357 -5.502 341 HE3 LYS 54 HE1 LYS 54 0.986 -6.833 -6.464 342 HZ1 LYS 54 HZ1 LYS 54 3.422 -6.706 -6.674 343 HZ2 LYS 54 HZ2 LYS 54 2.917 -6.888 -5.074 344 HZ3 LYS 54 HZ3 LYS 54 3.434 -5.376 -5.632 345 H SER 55 HN SER 55 -1.407 -1.276 -8.514 346 HA SER 55 HA SER 55 0.286 -1.400 -10.774 347 HB2 SER 55 HB2 SER 55 -2.106 0.371 -10.225 348 HB3 SER 55 HB1 SER 55 -1.385 0.072 -11.801 349 HG SER 55 HG SER 55 -2.880 -1.659 -10.165 350 H LYS 56 HN LYS 56 0.085 0.728 -8.084 351 HA LYS 56 HA LYS 56 1.478 2.921 -9.317 352 HB2 LYS 56 HB2 LYS 56 0.748 2.256 -6.470 353 HB3 LYS 56 HB1 LYS 56 1.677 3.679 -6.897 354 HG2 LYS 56 HG2 LYS 56 -1.103 3.045 -7.859 355 HG3 LYS 56 HG1 LYS 56 -0.689 4.192 -6.584 356 HD2 LYS 56 HD2 LYS 56 0.168 4.386 -9.473 357 HD3 LYS 56 HD1 LYS 56 -1.126 5.315 -8.721 358 HE2 LYS 56 HE2 LYS 56 0.456 6.377 -7.228 359 HE3 LYS 56 HE1 LYS 56 1.765 5.385 -7.867 360 HZ1 LYS 56 HZ1 LYS 56 1.468 6.432 -10.018 361 HZ2 LYS 56 HZ2 LYS 56 1.778 7.594 -8.831 362 HZ3 LYS 56 HZ3 LYS 56 0.206 7.382 -9.411 363 H GLY 57 HN GLY 57 2.371 -0.108 -8.217 364 HA2 GLY 57 HA2 GLY 57 4.612 -0.844 -8.646 365 HA3 GLY 57 HA1 GLY 57 5.184 0.750 -8.185 366 H LEU 58 HN LEU 58 2.785 -0.294 -6.074 367 HA LEU 58 HA LEU 58 4.724 -0.644 -3.977 368 HB2 LEU 58 HB2 LEU 58 1.758 -0.484 -4.103 369 HB3 LEU 58 HB1 LEU 58 2.492 -1.227 -2.698 370 HG LEU 58 HG LEU 58 3.897 0.977 -2.613 371 HD11 LEU 58 HD11 LEU 58 2.661 2.926 -3.403 372 HD12 LEU 58 HD12 LEU 58 1.471 1.867 -4.159 373 HD13 LEU 58 HD13 LEU 58 3.137 1.876 -4.738 374 HD21 LEU 58 HD21 LEU 58 2.333 0.205 -0.915 375 HD22 LEU 58 HD22 LEU 58 0.990 0.885 -1.836 376 HD23 LEU 58 HD23 LEU 58 2.221 1.949 -1.152 377 H SER 59 HN SER 59 5.183 -2.433 -2.818 378 HA SER 59 HA SER 59 4.486 -5.003 -3.958 379 HB2 SER 59 HB2 SER 59 6.094 -4.446 -1.460 380 HB3 SER 59 HB1 SER 59 6.145 -5.890 -2.475 381 HG SER 59 HG SER 59 7.236 -3.337 -2.907 382 H ALA 60 HN ALA 60 3.770 -6.762 -2.391 383 HA ALA 60 HA ALA 60 1.280 -6.070 -1.290 384 HB1 ALA 60 HB1 ALA 60 1.852 -8.326 -2.085 385 HB2 ALA 60 HB2 ALA 60 1.200 -8.344 -0.447 386 HB3 ALA 60 HB3 ALA 60 2.934 -8.526 -0.707 387 H GLU 61 HN GLU 61 4.442 -6.523 0.175 388 HA GLU 61 HA GLU 61 3.638 -6.338 2.875 389 HB2 GLU 61 HB2 GLU 61 6.286 -5.722 1.557 390 HB3 GLU 61 HB1 GLU 61 6.042 -5.800 3.295 391 HG2 GLU 61 HG2 GLU 61 5.520 -8.124 3.190 392 HG3 GLU 61 HG1 GLU 61 5.490 -8.091 1.431 393 H GLU 62 HN GLU 62 4.588 -3.924 0.499 394 HA GLU 62 HA GLU 62 4.641 -1.699 2.245 395 HB2 GLU 62 HB2 GLU 62 4.176 -1.863 -0.735 396 HB3 GLU 62 HB1 GLU 62 4.415 -0.361 0.148 397 HG2 GLU 62 HG2 GLU 62 6.640 -1.004 0.759 398 HG3 GLU 62 HG1 GLU 62 6.411 -2.607 0.060 399 H ILE 63 HN ILE 63 2.170 -2.967 0.056 400 HA ILE 63 HA ILE 63 0.154 -1.099 0.579 401 HB ILE 63 HB ILE 63 -0.164 -4.027 -0.121 402 HG12 ILE 63 HG12 ILE 63 -0.109 -1.630 -1.963 403 HG13 ILE 63 HG11 ILE 63 1.280 -2.670 -1.671 404 HG21 ILE 63 HG21 ILE 63 -2.067 -1.708 -0.408 405 HG22 ILE 63 HG22 ILE 63 -2.247 -3.091 0.668 406 HG23 ILE 63 HG23 ILE 63 -2.327 -3.317 -1.079 407 HD11 ILE 63 HD11 ILE 63 0.159 -3.239 -3.747 408 HD12 ILE 63 HD12 ILE 63 -1.343 -3.532 -2.869 409 HD13 ILE 63 HD13 ILE 63 0.060 -4.566 -2.590 410 H CYS 64 HN CYS 64 0.881 -4.193 2.127 411 HA CYS 64 HA CYS 64 -1.224 -4.338 3.933 412 HB2 CYS 64 HB2 CYS 64 0.294 -6.199 3.525 413 HB3 CYS 64 HB1 CYS 64 1.636 -5.292 4.209 414 HG CYS 64 HG CYS 64 -1.087 -6.024 6.123 415 H GLU 65 HN GLU 65 1.921 -2.739 4.233 416 HA GLU 65 HA GLU 65 1.572 -1.951 6.920 417 HB2 GLU 65 HB2 GLU 65 3.785 -2.083 6.039 418 HB3 GLU 65 HB1 GLU 65 3.398 -0.971 4.732 419 HG2 GLU 65 HG2 GLU 65 3.252 0.853 6.210 420 HG3 GLU 65 HG1 GLU 65 3.313 -0.193 7.627 421 H ALA 66 HN ALA 66 1.139 -0.226 3.833 422 HA ALA 66 HA ALA 66 0.474 2.272 4.848 423 HB1 ALA 66 HB1 ALA 66 0.919 1.909 2.488 424 HB2 ALA 66 HB2 ALA 66 -0.657 2.677 2.703 425 HB3 ALA 66 HB3 ALA 66 -0.554 0.953 2.338 426 H PHE 67 HN PHE 67 -1.641 -0.494 4.123 427 HA PHE 67 HA PHE 67 -4.064 0.717 4.782 428 HB2 PHE 67 HB2 PHE 67 -3.078 -2.069 4.586 429 HB3 PHE 67 HB1 PHE 67 -4.547 -1.824 5.524 430 HD1 PHE 67 HD1 PHE 67 -3.090 -1.920 2.219 431 HD2 PHE 67 HD2 PHE 67 -6.529 -0.814 4.458 432 HE1 PHE 67 HE1 PHE 67 -4.412 -1.840 0.144 433 HE2 PHE 67 HE2 PHE 67 -7.858 -0.736 2.393 434 HZ PHE 67 HZ PHE 67 -6.801 -1.249 0.231 435 H THR 68 HN THR 68 -1.709 -0.930 6.844 436 HA THR 68 HA THR 68 -3.337 -0.918 9.154 437 HB THR 68 HB THR 68 -0.331 -0.981 9.118 438 HG1 THR 68 HG1 THR 68 -1.149 -2.596 7.703 439 HG21 THR 68 HG21 THR 68 -2.370 -2.119 11.033 440 HG22 THR 68 HG22 THR 68 -1.344 -0.715 11.326 441 HG23 THR 68 HG23 THR 68 -0.620 -2.316 11.162 442 H LYS 69 HN LYS 69 -1.118 1.363 7.764 443 HA LYS 69 HA LYS 69 -0.908 3.053 10.034 444 HB2 LYS 69 HB2 LYS 69 -0.445 3.700 7.126 445 HB3 LYS 69 HB1 LYS 69 0.184 4.583 8.513 446 HG2 LYS 69 HG2 LYS 69 1.312 2.390 9.168 447 HG3 LYS 69 HG1 LYS 69 0.917 1.848 7.543 448 HD2 LYS 69 HD2 LYS 69 3.177 2.708 7.569 449 HD3 LYS 69 HD1 LYS 69 2.145 3.763 6.604 450 HE2 LYS 69 HE2 LYS 69 3.591 5.107 7.976 451 HE3 LYS 69 HE1 LYS 69 1.933 5.270 8.549 452 HZ1 LYS 69 HZ1 LYS 69 4.016 3.536 9.760 453 HZ2 LYS 69 HZ2 LYS 69 2.426 3.690 10.311 454 HZ3 LYS 69 HZ3 LYS 69 3.476 5.011 10.382 455 H VAL 70 HN VAL 70 -3.149 2.850 7.356 456 HA VAL 70 HA VAL 70 -4.296 5.452 7.909 457 HB VAL 70 HB VAL 70 -5.825 5.046 6.109 458 HG11 VAL 70 HG11 VAL 70 -3.818 5.763 5.227 459 HG12 VAL 70 HG12 VAL 70 -4.119 4.286 4.314 460 HG13 VAL 70 HG13 VAL 70 -2.980 4.273 5.653 461 HG21 VAL 70 HG21 VAL 70 -4.819 2.201 6.074 462 HG22 VAL 70 HG22 VAL 70 -5.907 2.920 4.887 463 HG23 VAL 70 HG23 VAL 70 -6.428 2.734 6.562 464 H GLY 71 HN GLY 71 -4.465 2.633 9.491 465 HA2 GLY 71 HA2 GLY 71 -5.823 2.372 11.414 466 HA3 GLY 71 HA1 GLY 71 -7.053 3.364 10.649 467 H GLN 72 HN GLN 72 -5.724 1.033 8.585 468 HA GLN 72 HA GLN 72 -8.017 -0.755 9.067 469 HB2 GLN 72 HB2 GLN 72 -8.352 0.546 7.024 470 HB3 GLN 72 HB1 GLN 72 -6.766 0.075 6.436 471 HG2 GLN 72 HG2 GLN 72 -8.369 -1.219 5.277 472 HG3 GLN 72 HG1 GLN 72 -7.566 -2.288 6.423 473 HE21 GLN 72 HE21 GLN 72 -10.487 -0.598 5.642 474 HE22 GLN 72 HE22 GLN 72 -11.521 -1.482 6.708 475 HA PRO 73 HA PRO 73 -4.159 -3.136 9.562 476 HB2 PRO 73 HB2 PRO 73 -5.160 -4.945 11.323 477 HB3 PRO 73 HB1 PRO 73 -4.550 -3.356 11.801 478 HG2 PRO 73 HG2 PRO 73 -7.362 -4.280 11.443 479 HG3 PRO 73 HG1 PRO 73 -6.690 -3.179 12.655 480 HD2 PRO 73 HD2 PRO 73 -8.070 -2.356 10.433 481 HD3 PRO 73 HD1 PRO 73 -6.862 -1.362 11.270 482 H LYS 74 HN LYS 74 -4.015 -4.083 7.616 483 HA LYS 74 HA LYS 74 -5.681 -6.453 7.111 484 HB2 LYS 74 HB2 LYS 74 -4.217 -4.614 5.221 485 HB3 LYS 74 HB1 LYS 74 -4.837 -6.181 4.725 486 HG2 LYS 74 HG2 LYS 74 -6.500 -3.930 5.833 487 HG3 LYS 74 HG1 LYS 74 -6.334 -4.336 4.123 488 HD2 LYS 74 HD2 LYS 74 -7.193 -6.629 4.692 489 HD3 LYS 74 HD1 LYS 74 -7.561 -6.015 6.304 490 HE2 LYS 74 HE2 LYS 74 -9.028 -4.326 5.325 491 HE3 LYS 74 HE1 LYS 74 -8.647 -4.929 3.714 492 HZ1 LYS 74 HZ1 LYS 74 -10.727 -5.834 4.404 493 HZ2 LYS 74 HZ2 LYS 74 -10.074 -6.392 5.860 494 HZ3 LYS 74 HZ3 LYS 74 -9.590 -7.093 4.396 495 H THR 75 HN THR 75 -4.717 -8.392 6.846 496 HA THR 75 HA THR 75 -1.938 -8.638 7.559 497 HB THR 75 HB THR 75 -2.339 -11.080 7.270 498 HG1 THR 75 HG1 THR 75 -5.062 -10.871 7.094 499 HG21 THR 75 HG21 THR 75 -4.392 -9.632 8.950 500 HG22 THR 75 HG22 THR 75 -2.747 -10.034 9.439 501 HG23 THR 75 HG23 THR 75 -3.916 -11.319 9.143 502 H LEU 76 HN LEU 76 -0.509 -10.068 6.205 503 HA LEU 76 HA LEU 76 -0.228 -9.040 3.600 504 HB2 LEU 76 HB2 LEU 76 1.619 -9.976 4.964 505 HB3 LEU 76 HB1 LEU 76 0.925 -11.573 4.772 506 HG LEU 76 HG LEU 76 1.305 -11.440 2.341 507 HD11 LEU 76 HD11 LEU 76 2.639 -8.821 3.006 508 HD12 LEU 76 HD12 LEU 76 1.169 -9.037 2.054 509 HD13 LEU 76 HD13 LEU 76 2.711 -9.640 1.446 510 HD21 LEU 76 HD21 LEU 76 3.722 -11.679 2.417 511 HD22 LEU 76 HD22 LEU 76 2.977 -12.458 3.812 512 HD23 LEU 76 HD23 LEU 76 3.766 -10.890 3.993 513 H ASN 77 HN ASN 77 -1.782 -11.842 4.940 514 HA ASN 77 HA ASN 77 -2.334 -13.311 2.630 515 HB2 ASN 77 HB2 ASN 77 -2.723 -14.162 4.897 516 HB3 ASN 77 HB1 ASN 77 -4.007 -12.987 5.131 517 HD21 ASN 77 HD21 ASN 77 -3.082 -15.926 3.521 518 HD22 ASN 77 HD22 ASN 77 -4.675 -16.387 3.025 519 H GLU 78 HN GLU 78 -4.166 -10.720 4.206 520 HA GLU 78 HA GLU 78 -6.405 -10.687 2.543 521 HB2 GLU 78 HB2 GLU 78 -4.992 -8.505 4.062 522 HB3 GLU 78 HB1 GLU 78 -6.428 -8.172 3.106 523 HG2 GLU 78 HG2 GLU 78 -6.367 -10.243 5.269 524 HG3 GLU 78 HG1 GLU 78 -6.764 -8.554 5.573 525 H ILE 79 HN ILE 79 -3.344 -8.939 2.249 526 HA ILE 79 HA ILE 79 -4.045 -7.477 -0.049 527 HB ILE 79 HB ILE 79 -1.265 -8.286 0.809 528 HG12 ILE 79 HG12 ILE 79 -2.390 -7.235 2.683 529 HG13 ILE 79 HG11 ILE 79 -1.234 -6.098 2.000 530 HG21 ILE 79 HG21 ILE 79 -2.239 -5.964 -0.849 531 HG22 ILE 79 HG22 ILE 79 -1.363 -7.375 -1.444 532 HG23 ILE 79 HG23 ILE 79 -0.571 -6.242 -0.349 533 HD11 ILE 79 HD11 ILE 79 -3.274 -4.958 2.569 534 HD12 ILE 79 HD12 ILE 79 -4.216 -6.087 1.597 535 HD13 ILE 79 HD13 ILE 79 -3.086 -4.983 0.814 536 H LYS 80 HN LYS 80 -2.199 -10.495 0.329 537 HA LYS 80 HA LYS 80 -1.674 -10.851 -2.419 538 HB2 LYS 80 HB2 LYS 80 -1.811 -12.900 -0.204 539 HB3 LYS 80 HB1 LYS 80 -1.149 -13.192 -1.808 540 HG2 LYS 80 HG2 LYS 80 0.418 -11.251 -1.328 541 HG3 LYS 80 HG1 LYS 80 -0.097 -11.404 0.349 542 HD2 LYS 80 HD2 LYS 80 0.795 -13.572 0.537 543 HD3 LYS 80 HD1 LYS 80 0.970 -13.738 -1.213 544 HE2 LYS 80 HE2 LYS 80 2.489 -11.775 0.497 545 HE3 LYS 80 HE1 LYS 80 3.117 -13.325 -0.052 546 HZ1 LYS 80 HZ1 LYS 80 2.237 -11.118 -1.830 547 HZ2 LYS 80 HZ2 LYS 80 2.898 -12.590 -2.328 548 HZ3 LYS 80 HZ3 LYS 80 3.845 -11.489 -1.458 549 H ARG 81 HN ARG 81 -4.293 -11.982 -0.352 550 HA ARG 81 HA ARG 81 -5.563 -13.622 -2.270 551 HB2 ARG 81 HB2 ARG 81 -6.116 -13.812 0.078 552 HB3 ARG 81 HB1 ARG 81 -6.684 -12.149 0.119 553 HG2 ARG 81 HG2 ARG 81 -8.500 -12.729 -1.404 554 HG3 ARG 81 HG1 ARG 81 -7.927 -14.395 -1.450 555 HD2 ARG 81 HD2 ARG 81 -8.332 -14.616 0.938 556 HD3 ARG 81 HD1 ARG 81 -8.846 -12.931 1.020 557 HE ARG 81 HE ARG 81 -10.340 -14.568 -0.833 558 HH11 ARG 81 HH11 ARG 81 -10.099 -13.375 2.448 559 HH12 ARG 81 HH12 ARG 81 -11.790 -13.580 2.781 560 HH21 ARG 81 HH21 ARG 81 -12.557 -14.856 -0.395 561 HH22 ARG 81 HH22 ARG 81 -13.187 -14.441 1.166 562 H ILE 82 HN ILE 82 -6.021 -10.237 -1.366 563 HA ILE 82 HA ILE 82 -8.120 -9.699 -3.170 564 HB ILE 82 HB ILE 82 -6.106 -7.871 -1.858 565 HG12 ILE 82 HG12 ILE 82 -9.054 -8.241 -1.290 566 HG13 ILE 82 HG11 ILE 82 -7.796 -9.148 -0.458 567 HG21 ILE 82 HG21 ILE 82 -6.905 -6.824 -3.903 568 HG22 ILE 82 HG22 ILE 82 -7.578 -6.019 -2.485 569 HG23 ILE 82 HG23 ILE 82 -8.573 -7.134 -3.424 570 HD11 ILE 82 HD11 ILE 82 -8.548 -7.276 0.880 571 HD12 ILE 82 HD12 ILE 82 -8.140 -6.158 -0.423 572 HD13 ILE 82 HD13 ILE 82 -6.866 -7.058 0.402 573 H LEU 83 HN LEU 83 -4.627 -9.659 -3.520 574 HA LEU 83 HA LEU 83 -4.703 -8.501 -6.151 575 HB2 LEU 83 HB2 LEU 83 -2.539 -9.811 -4.526 576 HB3 LEU 83 HB1 LEU 83 -2.276 -9.298 -6.182 577 HG LEU 83 HG LEU 83 -3.154 -7.444 -3.972 578 HD11 LEU 83 HD11 LEU 83 -0.839 -6.617 -4.014 579 HD12 LEU 83 HD12 LEU 83 -0.407 -7.931 -5.108 580 HD13 LEU 83 HD13 LEU 83 -0.946 -8.291 -3.467 581 HD21 LEU 83 HD21 LEU 83 -2.144 -6.949 -6.769 582 HD22 LEU 83 HD22 LEU 83 -2.456 -5.701 -5.564 583 HD23 LEU 83 HD23 LEU 83 -3.785 -6.680 -6.181 584 H SER 84 HN SER 84 -5.439 -11.520 -4.946 585 HA SER 84 HA SER 84 -4.700 -12.912 -7.411 586 HB2 SER 84 HB2 SER 84 -4.191 -13.935 -5.159 587 HB3 SER 84 HB1 SER 84 -5.927 -14.062 -4.891 588 HG SER 84 HG SER 84 -5.989 -15.352 -6.841 Start of MODEL 10 1 H1 LYS 15 HT1 LYS 15 22.382 -0.267 -6.063 2 H2 LYS 15 HT2 LYS 15 23.615 0.148 -4.987 3 H3 LYS 15 HT3 LYS 15 22.635 1.354 -5.653 4 HA LYS 15 HA LYS 15 22.030 0.904 -3.376 5 HB2 LYS 15 HB2 LYS 15 19.620 0.489 -3.758 6 HB3 LYS 15 HB1 LYS 15 20.283 1.666 -4.883 7 HG2 LYS 15 HG2 LYS 15 20.460 -0.140 -6.578 8 HG3 LYS 15 HG1 LYS 15 19.648 -1.222 -5.448 9 HD2 LYS 15 HD2 LYS 15 17.713 0.300 -5.417 10 HD3 LYS 15 HD1 LYS 15 18.524 1.332 -6.595 11 HE2 LYS 15 HE2 LYS 15 17.661 -1.530 -6.991 12 HE3 LYS 15 HE1 LYS 15 16.929 -0.101 -7.717 13 HZ1 LYS 15 HZ1 LYS 15 18.363 -1.178 -9.294 14 HZ2 LYS 15 HZ2 LYS 15 19.671 -1.124 -8.225 15 HZ3 LYS 15 HZ3 LYS 15 19.045 0.310 -8.865 16 HA PRO 16 HA PRO 16 22.519 -3.379 -2.213 17 HB2 PRO 16 HB2 PRO 16 22.101 -3.065 0.431 18 HB3 PRO 16 HB1 PRO 16 23.596 -2.534 -0.346 19 HG2 PRO 16 HG2 PRO 16 21.204 -0.928 0.452 20 HG3 PRO 16 HG1 PRO 16 22.924 -0.541 0.637 21 HD2 PRO 16 HD2 PRO 16 21.369 0.460 -1.367 22 HD3 PRO 16 HD1 PRO 16 23.117 0.202 -1.523 23 H GLU 17 HN GLU 17 21.180 -5.078 -1.313 24 HA GLU 17 HA GLU 17 18.343 -4.442 -1.585 25 HB2 GLU 17 HB2 GLU 17 19.743 -7.117 -1.578 26 HB3 GLU 17 HB1 GLU 17 18.010 -6.891 -1.770 27 HG2 GLU 17 HG2 GLU 17 18.437 -5.598 -3.821 28 HG3 GLU 17 HG1 GLU 17 20.161 -5.923 -3.640 29 H VAL 18 HN VAL 18 20.362 -4.295 0.784 30 HA VAL 18 HA VAL 18 19.144 -5.881 2.832 31 HB VAL 18 HB VAL 18 20.843 -3.400 3.175 32 HG11 VAL 18 HG11 VAL 18 21.339 -4.313 5.387 33 HG12 VAL 18 HG12 VAL 18 20.261 -5.673 5.073 34 HG13 VAL 18 HG13 VAL 18 19.609 -4.038 5.183 35 HG21 VAL 18 HG21 VAL 18 22.732 -4.956 3.471 36 HG22 VAL 18 HG22 VAL 18 22.052 -5.021 1.845 37 HG23 VAL 18 HG23 VAL 18 21.681 -6.293 3.009 38 H GLU 19 HN GLU 19 17.001 -5.512 2.942 39 HA GLU 19 HA GLU 19 14.999 -4.541 3.241 40 HB2 GLU 19 HB2 GLU 19 16.707 -2.483 4.613 41 HB3 GLU 19 HB1 GLU 19 14.950 -2.434 4.620 42 HG2 GLU 19 HG2 GLU 19 15.003 -4.730 5.638 43 HG3 GLU 19 HG1 GLU 19 16.743 -4.523 5.820 44 H HIS 20 HN HIS 20 17.129 -3.539 1.105 45 HA HIS 20 HA HIS 20 17.099 -2.328 -0.799 46 HB2 HIS 20 HB2 HIS 20 14.131 -2.262 -0.233 47 HB3 HIS 20 HB1 HIS 20 14.860 -1.695 -1.731 48 HD1 HIS 20 HD1 HIS 20 15.791 -3.481 -3.350 49 HD2 HIS 20 HD2 HIS 20 13.983 -5.038 0.052 50 HE1 HIS 20 HE1 HIS 20 15.512 -5.943 -3.798 51 HE2 HIS 20 HE2 HIS 20 14.241 -6.820 -1.805 52 H THR 21 HN THR 21 15.890 -0.101 -1.703 53 HA THR 21 HA THR 21 17.010 1.952 -0.102 54 HB THR 21 HB THR 21 15.096 2.225 -2.431 55 HG1 THR 21 HG1 THR 21 17.928 1.956 -2.278 56 HG21 THR 21 HG21 THR 21 16.079 4.445 -2.693 57 HG22 THR 21 HG22 THR 21 17.105 4.172 -1.286 58 HG23 THR 21 HG23 THR 21 15.355 4.278 -1.094 59 H HIS 22 HN HIS 22 16.162 2.578 1.748 60 HA HIS 22 HA HIS 22 13.536 1.986 2.582 61 HB2 HIS 22 HB2 HIS 22 15.439 4.025 3.756 62 HB3 HIS 22 HB1 HIS 22 14.037 3.333 4.561 63 HD1 HIS 22 HD1 HIS 22 14.241 0.847 5.362 64 HD2 HIS 22 HD2 HIS 22 17.732 2.472 3.801 65 HE1 HIS 22 HE1 HIS 22 16.077 -0.729 6.028 66 HE2 HIS 22 HE2 HIS 22 18.196 0.398 5.270 67 H SER 23 HN SER 23 15.038 4.939 1.366 68 HA SER 23 HA SER 23 12.915 6.694 1.803 69 HB2 SER 23 HB2 SER 23 14.927 6.760 -0.456 70 HB3 SER 23 HB1 SER 23 13.982 8.124 0.141 71 HG SER 23 HG SER 23 15.052 7.890 2.150 72 H GLU 24 HN GLU 24 13.489 4.405 -0.816 73 HA GLU 24 HA GLU 24 11.486 5.457 -2.536 74 HB2 GLU 24 HB2 GLU 24 13.280 4.093 -3.451 75 HB3 GLU 24 HB1 GLU 24 12.762 2.716 -2.484 76 HG2 GLU 24 HG2 GLU 24 10.668 2.614 -3.701 77 HG3 GLU 24 HG1 GLU 24 11.123 4.037 -4.637 78 H ARG 25 HN ARG 25 11.539 2.715 -0.260 79 HA ARG 25 HA ARG 25 8.843 2.010 -0.789 80 HB2 ARG 25 HB2 ARG 25 9.018 0.416 0.883 81 HB3 ARG 25 HB1 ARG 25 10.682 0.586 0.353 82 HG2 ARG 25 HG2 ARG 25 11.304 1.737 2.281 83 HG3 ARG 25 HG1 ARG 25 9.632 2.121 2.700 84 HD2 ARG 25 HD2 ARG 25 10.955 -0.584 2.779 85 HD3 ARG 25 HD1 ARG 25 10.420 0.375 4.156 86 HE ARG 25 HE ARG 25 8.665 -0.977 2.211 87 HH11 ARG 25 HH11 ARG 25 9.094 0.625 5.307 88 HH12 ARG 25 HH12 ARG 25 7.544 0.125 5.908 89 HH21 ARG 25 HH21 ARG 25 6.658 -1.645 3.022 90 HH22 ARG 25 HH22 ARG 25 6.177 -1.167 4.636 91 H GLU 26 HN GLU 26 10.412 4.169 1.476 92 HA GLU 26 HA GLU 26 8.293 4.725 3.188 93 HB2 GLU 26 HB2 GLU 26 10.572 5.429 3.641 94 HB3 GLU 26 HB1 GLU 26 10.553 6.493 2.243 95 HG2 GLU 26 HG2 GLU 26 8.883 7.886 3.291 96 HG3 GLU 26 HG1 GLU 26 8.815 6.799 4.678 97 H LYS 27 HN LYS 27 9.172 6.263 0.091 98 HA LYS 27 HA LYS 27 7.031 8.138 0.233 99 HB2 LYS 27 HB2 LYS 27 7.591 8.777 -2.012 100 HB3 LYS 27 HB1 LYS 27 9.082 8.527 -1.119 101 HG2 LYS 27 HG2 LYS 27 9.421 6.401 -2.193 102 HG3 LYS 27 HG1 LYS 27 7.861 6.529 -3.008 103 HD2 LYS 27 HD2 LYS 27 8.656 8.536 -4.181 104 HD3 LYS 27 HD1 LYS 27 10.223 8.369 -3.387 105 HE2 LYS 27 HE2 LYS 27 10.572 6.225 -4.470 106 HE3 LYS 27 HE1 LYS 27 8.971 6.314 -5.204 107 HZ1 LYS 27 HZ1 LYS 27 10.756 6.951 -6.735 108 HZ2 LYS 27 HZ2 LYS 27 11.174 8.236 -5.719 109 HZ3 LYS 27 HZ3 LYS 27 9.665 8.216 -6.477 110 H ARG 28 HN ARG 28 7.384 4.911 -1.118 111 HA ARG 28 HA ARG 28 4.970 4.894 -2.595 112 HB2 ARG 28 HB2 ARG 28 6.521 2.623 -1.347 113 HB3 ARG 28 HB1 ARG 28 5.115 2.395 -2.372 114 HG2 ARG 28 HG2 ARG 28 6.389 3.713 -4.138 115 HG3 ARG 28 HG1 ARG 28 7.808 3.475 -3.116 116 HD2 ARG 28 HD2 ARG 28 6.081 1.335 -4.358 117 HD3 ARG 28 HD1 ARG 28 7.736 1.747 -4.801 118 HE ARG 28 HE ARG 28 7.532 1.006 -2.056 119 HH11 ARG 28 HH11 ARG 28 7.653 -0.329 -5.299 120 HH12 ARG 28 HH12 ARG 28 8.325 -1.841 -4.781 121 HH21 ARG 28 HH21 ARG 28 8.385 -0.992 -1.369 122 HH22 ARG 28 HH22 ARG 28 8.744 -2.219 -2.551 123 H VAL 29 HN VAL 29 5.735 3.788 0.702 124 HA VAL 29 HA VAL 29 3.121 3.013 1.385 125 HB VAL 29 HB VAL 29 5.292 4.050 3.226 126 HG11 VAL 29 HG11 VAL 29 3.105 4.130 4.296 127 HG12 VAL 29 HG12 VAL 29 4.084 2.837 4.992 128 HG13 VAL 29 HG13 VAL 29 2.805 2.453 3.841 129 HG21 VAL 29 HG21 VAL 29 6.020 2.110 1.948 130 HG22 VAL 29 HG22 VAL 29 4.566 1.232 2.423 131 HG23 VAL 29 HG23 VAL 29 5.764 1.674 3.639 132 H SER 30 HN SER 30 4.809 6.118 1.720 133 HA SER 30 HA SER 30 2.789 7.513 3.053 134 HB2 SER 30 HB2 SER 30 4.808 8.563 1.056 135 HB3 SER 30 HB1 SER 30 3.864 9.555 2.169 136 HG SER 30 HG SER 30 5.922 7.700 2.740 137 H ASN 31 HN ASN 31 3.367 7.122 -0.435 138 HA ASN 31 HA ASN 31 1.205 8.674 -1.333 139 HB2 ASN 31 HB2 ASN 31 2.840 6.474 -2.542 140 HB3 ASN 31 HB1 ASN 31 1.401 7.044 -3.380 141 HD21 ASN 31 HD21 ASN 31 4.295 7.235 -4.021 142 HD22 ASN 31 HD22 ASN 31 4.571 8.918 -4.297 143 H ALA 32 HN ALA 32 1.414 5.314 -0.371 144 HA ALA 32 HA ALA 32 -1.212 4.608 -1.224 145 HB1 ALA 32 HB1 ALA 32 0.492 2.916 -0.953 146 HB2 ALA 32 HB2 ALA 32 -0.865 2.583 0.123 147 HB3 ALA 32 HB3 ALA 32 0.619 3.285 0.765 148 H VAL 33 HN VAL 33 0.196 5.516 1.896 149 HA VAL 33 HA VAL 33 -2.135 5.215 3.429 150 HB VAL 33 HB VAL 33 0.227 7.057 3.855 151 HG11 VAL 33 HG11 VAL 33 -1.966 6.270 5.770 152 HG12 VAL 33 HG12 VAL 33 -1.638 7.890 5.153 153 HG13 VAL 33 HG13 VAL 33 -0.478 7.099 6.224 154 HG21 VAL 33 HG21 VAL 33 0.736 4.648 3.774 155 HG22 VAL 33 HG22 VAL 33 -0.425 4.381 5.076 156 HG23 VAL 33 HG23 VAL 33 1.018 5.350 5.365 157 H GLU 34 HN GLU 34 -0.865 8.003 1.632 158 HA GLU 34 HA GLU 34 -2.903 9.779 2.509 159 HB2 GLU 34 HB2 GLU 34 -2.054 11.329 0.873 160 HB3 GLU 34 HB1 GLU 34 -0.707 10.533 1.665 161 HG2 GLU 34 HG2 GLU 34 -0.398 9.093 -0.250 162 HG3 GLU 34 HG1 GLU 34 -1.773 9.850 -1.054 163 H PHE 35 HN PHE 35 -2.587 7.618 -0.258 164 HA PHE 35 HA PHE 35 -4.903 8.559 -1.629 165 HB2 PHE 35 HB2 PHE 35 -3.218 7.347 -2.860 166 HB3 PHE 35 HB1 PHE 35 -3.363 5.959 -1.790 167 HD1 PHE 35 HD1 PHE 35 -5.178 7.937 -4.342 168 HD2 PHE 35 HD2 PHE 35 -4.900 4.249 -2.238 169 HE1 PHE 35 HE1 PHE 35 -6.845 6.950 -5.858 170 HE2 PHE 35 HE2 PHE 35 -6.566 3.255 -3.751 171 HZ PHE 35 HZ PHE 35 -7.542 4.606 -5.562 172 H LEU 36 HN LEU 36 -4.268 5.894 0.599 173 HA LEU 36 HA LEU 36 -6.863 4.798 0.571 174 HB2 LEU 36 HB2 LEU 36 -4.660 4.701 2.603 175 HB3 LEU 36 HB1 LEU 36 -6.143 3.779 2.760 176 HG LEU 36 HG LEU 36 -4.136 3.510 0.520 177 HD11 LEU 36 HD11 LEU 36 -3.642 1.335 1.530 178 HD12 LEU 36 HD12 LEU 36 -4.728 1.715 2.867 179 HD13 LEU 36 HD13 LEU 36 -3.264 2.667 2.622 180 HD21 LEU 36 HD21 LEU 36 -6.639 1.951 1.139 181 HD22 LEU 36 HD22 LEU 36 -5.448 1.519 -0.086 182 HD23 LEU 36 HD23 LEU 36 -6.376 3.010 -0.247 183 H LEU 37 HN LEU 37 -5.478 7.485 2.277 184 HA LEU 37 HA LEU 37 -7.648 7.640 4.181 185 HB2 LEU 37 HB2 LEU 37 -5.111 9.115 3.716 186 HB3 LEU 37 HB1 LEU 37 -6.387 9.936 4.594 187 HG LEU 37 HG LEU 37 -5.183 7.282 5.379 188 HD11 LEU 37 HD11 LEU 37 -4.156 8.530 7.215 189 HD12 LEU 37 HD12 LEU 37 -4.794 10.035 6.551 190 HD13 LEU 37 HD13 LEU 37 -3.591 9.112 5.650 191 HD21 LEU 37 HD21 LEU 37 -7.465 7.436 6.089 192 HD22 LEU 37 HD22 LEU 37 -7.216 9.075 6.687 193 HD23 LEU 37 HD23 LEU 37 -6.427 7.715 7.489 194 H ASP 38 HN ASP 38 -7.632 8.299 1.036 195 HA ASP 38 HA ASP 38 -8.767 10.943 1.089 196 HB2 ASP 38 HB2 ASP 38 -7.518 9.966 -0.884 197 HB3 ASP 38 HB1 ASP 38 -8.912 8.941 -1.168 198 H SER 39 HN SER 39 -10.881 11.488 1.144 199 HA SER 39 HA SER 39 -12.692 9.836 2.403 200 HB2 SER 39 HB2 SER 39 -13.360 12.192 0.630 201 HB3 SER 39 HB1 SER 39 -14.351 11.543 1.935 202 HG SER 39 HG SER 39 -12.654 12.096 3.387 203 H ARG 40 HN ARG 40 -12.275 10.382 -1.064 204 HA ARG 40 HA ARG 40 -14.638 8.981 -1.838 205 HB2 ARG 40 HB2 ARG 40 -12.144 9.634 -3.409 206 HB3 ARG 40 HB1 ARG 40 -13.619 8.977 -4.101 207 HG2 ARG 40 HG2 ARG 40 -14.835 10.981 -3.370 208 HG3 ARG 40 HG1 ARG 40 -13.328 11.643 -2.733 209 HD2 ARG 40 HD2 ARG 40 -12.355 11.533 -4.990 210 HD3 ARG 40 HD1 ARG 40 -13.892 10.931 -5.607 211 HE ARG 40 HE ARG 40 -14.048 13.457 -4.214 212 HH11 ARG 40 HH11 ARG 40 -13.593 11.858 -7.301 213 HH12 ARG 40 HH12 ARG 40 -14.084 13.243 -8.227 214 HH21 ARG 40 HH21 ARG 40 -14.691 15.276 -5.442 215 HH22 ARG 40 HH22 ARG 40 -14.704 15.178 -7.174 216 H VAL 41 HN VAL 41 -11.296 8.091 -1.311 217 HA VAL 41 HA VAL 41 -11.569 5.446 -2.401 218 HB VAL 41 HB VAL 41 -9.381 6.601 -0.657 219 HG11 VAL 41 HG11 VAL 41 -9.349 4.173 -0.618 220 HG12 VAL 41 HG12 VAL 41 -7.995 4.781 -1.569 221 HG13 VAL 41 HG13 VAL 41 -9.416 4.121 -2.379 222 HG21 VAL 41 HG21 VAL 41 -9.543 6.337 -3.659 223 HG22 VAL 41 HG22 VAL 41 -8.164 6.946 -2.742 224 HG23 VAL 41 HG23 VAL 41 -9.685 7.839 -2.746 225 H ARG 42 HN ARG 42 -12.057 6.965 0.668 226 HA ARG 42 HA ARG 42 -12.084 4.665 2.309 227 HB2 ARG 42 HB2 ARG 42 -13.958 7.003 2.628 228 HB3 ARG 42 HB1 ARG 42 -13.362 5.934 3.882 229 HG2 ARG 42 HG2 ARG 42 -11.726 7.905 2.318 230 HG3 ARG 42 HG1 ARG 42 -12.317 8.128 3.966 231 HD2 ARG 42 HD2 ARG 42 -10.609 5.797 3.199 232 HD3 ARG 42 HD1 ARG 42 -9.903 7.351 3.632 233 HE ARG 42 HE ARG 42 -11.715 6.603 5.634 234 HH11 ARG 42 HH11 ARG 42 -8.650 5.544 4.315 235 HH12 ARG 42 HH12 ARG 42 -8.054 4.957 5.837 236 HH21 ARG 42 HH21 ARG 42 -10.938 5.833 7.640 237 HH22 ARG 42 HH22 ARG 42 -9.358 5.120 7.735 238 H ARG 43 HN ARG 43 -14.254 5.787 -0.124 239 HA ARG 43 HA ARG 43 -16.507 4.255 0.908 240 HB2 ARG 43 HB2 ARG 43 -16.395 5.889 -1.626 241 HB3 ARG 43 HB1 ARG 43 -17.828 5.335 -0.775 242 HG2 ARG 43 HG2 ARG 43 -15.859 7.407 0.166 243 HG3 ARG 43 HG1 ARG 43 -17.512 7.682 -0.386 244 HD2 ARG 43 HD2 ARG 43 -18.374 6.425 1.504 245 HD3 ARG 43 HD1 ARG 43 -16.731 6.065 2.036 246 HE ARG 43 HE ARG 43 -17.538 8.865 1.813 247 HH11 ARG 43 HH11 ARG 43 -16.805 6.116 3.847 248 HH12 ARG 43 HH12 ARG 43 -16.559 7.076 5.269 249 HH21 ARG 43 HH21 ARG 43 -17.205 10.135 3.677 250 HH22 ARG 43 HH22 ARG 43 -16.793 9.364 5.174 251 H THR 44 HN THR 44 -13.943 3.863 -1.333 252 HA THR 44 HA THR 44 -15.393 2.059 -3.065 253 HB THR 44 HB THR 44 -12.965 1.638 -3.923 254 HG1 THR 44 HG1 THR 44 -11.479 3.124 -3.323 255 HG21 THR 44 HG21 THR 44 -14.676 2.884 -5.151 256 HG22 THR 44 HG22 THR 44 -13.088 3.629 -5.327 257 HG23 THR 44 HG23 THR 44 -14.277 4.336 -4.232 258 HA PRO 45 HA PRO 45 -14.504 -1.763 -1.001 259 HB2 PRO 45 HB2 PRO 45 -13.843 -3.392 -3.098 260 HB3 PRO 45 HB1 PRO 45 -15.504 -2.932 -2.703 261 HG2 PRO 45 HG2 PRO 45 -13.655 -1.782 -4.757 262 HG3 PRO 45 HG1 PRO 45 -15.382 -2.165 -4.894 263 HD2 PRO 45 HD2 PRO 45 -14.516 0.351 -4.504 264 HD3 PRO 45 HD1 PRO 45 -16.026 -0.240 -3.780 265 H THR 46 HN THR 46 -12.791 -3.113 -0.332 266 HA THR 46 HA THR 46 -10.295 -1.875 -0.166 267 HB THR 46 HB THR 46 -10.459 -4.827 0.166 268 HG1 THR 46 HG1 THR 46 -11.973 -4.727 1.671 269 HG21 THR 46 HG21 THR 46 -9.200 -4.338 2.196 270 HG22 THR 46 HG22 THR 46 -9.400 -2.611 1.919 271 HG23 THR 46 HG23 THR 46 -8.438 -3.578 0.801 272 H SER 47 HN SER 47 -11.480 -4.395 -2.325 273 HA SER 47 HA SER 47 -9.051 -5.254 -3.373 274 HB2 SER 47 HB2 SER 47 -11.701 -5.121 -4.818 275 HB3 SER 47 HB1 SER 47 -10.343 -6.177 -5.209 276 HG SER 47 HG SER 47 -11.152 -7.526 -3.834 277 H SER 48 HN SER 48 -11.142 -2.594 -4.394 278 HA SER 48 HA SER 48 -9.716 -1.870 -6.693 279 HB2 SER 48 HB2 SER 48 -11.411 -0.213 -4.816 280 HB3 SER 48 HB1 SER 48 -10.891 0.283 -6.417 281 HG SER 48 HG SER 48 -11.947 -1.843 -7.048 282 H LYS 49 HN LYS 49 -9.506 -0.796 -3.336 283 HA LYS 49 HA LYS 49 -7.583 1.208 -3.624 284 HB2 LYS 49 HB2 LYS 49 -7.828 -0.683 -1.288 285 HB3 LYS 49 HB1 LYS 49 -7.176 0.946 -1.261 286 HG2 LYS 49 HG2 LYS 49 -9.375 1.860 -1.702 287 HG3 LYS 49 HG1 LYS 49 -10.046 0.230 -1.818 288 HD2 LYS 49 HD2 LYS 49 -9.215 -0.140 0.544 289 HD3 LYS 49 HD1 LYS 49 -8.895 1.595 0.607 290 HE2 LYS 49 HE2 LYS 49 -11.257 2.032 0.099 291 HE3 LYS 49 HE1 LYS 49 -11.562 0.293 0.077 292 HZ1 LYS 49 HZ1 LYS 49 -10.977 0.167 2.390 293 HZ2 LYS 49 HZ2 LYS 49 -12.175 1.341 2.187 294 HZ3 LYS 49 HZ3 LYS 49 -10.569 1.807 2.428 295 H VAL 50 HN VAL 50 -7.227 -2.248 -2.970 296 HA VAL 50 HA VAL 50 -4.403 -2.196 -2.678 297 HB VAL 50 HB VAL 50 -6.223 -4.516 -3.336 298 HG11 VAL 50 HG11 VAL 50 -3.379 -4.535 -2.335 299 HG12 VAL 50 HG12 VAL 50 -3.913 -5.010 -3.945 300 HG13 VAL 50 HG13 VAL 50 -4.412 -5.949 -2.539 301 HG21 VAL 50 HG21 VAL 50 -5.092 -3.570 -0.707 302 HG22 VAL 50 HG22 VAL 50 -6.048 -5.031 -0.948 303 HG23 VAL 50 HG23 VAL 50 -6.774 -3.447 -1.222 304 H HIS 51 HN HIS 51 -6.508 -3.008 -5.412 305 HA HIS 51 HA HIS 51 -4.439 -3.883 -7.138 306 HB2 HIS 51 HB2 HIS 51 -7.214 -2.823 -7.721 307 HB3 HIS 51 HB1 HIS 51 -6.139 -3.449 -8.966 308 HD1 HIS 51 HD1 HIS 51 -8.294 -5.130 -9.221 309 HD2 HIS 51 HD2 HIS 51 -5.878 -5.627 -5.877 310 HE1 HIS 51 HE1 HIS 51 -8.783 -7.445 -8.373 311 HE2 HIS 51 HE2 HIS 51 -7.194 -7.782 -6.445 312 H PHE 52 HN PHE 52 -5.857 -0.723 -6.509 313 HA PHE 52 HA PHE 52 -4.598 0.630 -8.652 314 HB2 PHE 52 HB2 PHE 52 -6.551 1.502 -7.339 315 HB3 PHE 52 HB1 PHE 52 -5.454 1.797 -5.994 316 HD1 PHE 52 HD1 PHE 52 -6.513 2.885 -9.309 317 HD2 PHE 52 HD2 PHE 52 -3.815 3.588 -6.095 318 HE1 PHE 52 HE1 PHE 52 -5.968 5.088 -10.253 319 HE2 PHE 52 HE2 PHE 52 -3.269 5.794 -7.033 320 HZ PHE 52 HZ PHE 52 -4.345 6.545 -9.116 321 H LEU 53 HN LEU 53 -3.721 0.177 -5.244 322 HA LEU 53 HA LEU 53 -1.358 1.720 -5.322 323 HB2 LEU 53 HB2 LEU 53 -2.101 -0.585 -3.518 324 HB3 LEU 53 HB1 LEU 53 -0.751 0.502 -3.251 325 HG LEU 53 HG LEU 53 -3.667 1.285 -3.266 326 HD11 LEU 53 HD11 LEU 53 -3.120 0.013 -1.299 327 HD12 LEU 53 HD12 LEU 53 -3.281 1.715 -0.866 328 HD13 LEU 53 HD13 LEU 53 -1.679 0.991 -1.022 329 HD21 LEU 53 HD21 LEU 53 -2.303 3.098 -4.096 330 HD22 LEU 53 HD22 LEU 53 -1.182 2.913 -2.748 331 HD23 LEU 53 HD23 LEU 53 -2.832 3.461 -2.453 332 H LYS 54 HN LYS 54 -1.976 -1.714 -5.922 333 HA LYS 54 HA LYS 54 0.712 -2.483 -6.264 334 HB2 LYS 54 HB2 LYS 54 -1.255 -4.051 -6.093 335 HB3 LYS 54 HB1 LYS 54 -1.653 -3.630 -7.755 336 HG2 LYS 54 HG2 LYS 54 0.753 -4.346 -8.294 337 HG3 LYS 54 HG1 LYS 54 0.722 -5.118 -6.712 338 HD2 LYS 54 HD2 LYS 54 0.143 -6.745 -8.380 339 HD3 LYS 54 HD1 LYS 54 -1.294 -6.376 -7.427 340 HE2 LYS 54 HE2 LYS 54 -2.153 -4.959 -9.153 341 HE3 LYS 54 HE1 LYS 54 -0.655 -5.086 -10.071 342 HZ1 LYS 54 HZ1 LYS 54 -2.340 -6.508 -11.005 343 HZ2 LYS 54 HZ2 LYS 54 -2.567 -7.287 -9.525 344 HZ3 LYS 54 HZ3 LYS 54 -1.103 -7.459 -10.352 345 H SER 55 HN SER 55 -1.665 -1.106 -8.475 346 HA SER 55 HA SER 55 -0.087 -1.289 -10.812 347 HB2 SER 55 HB2 SER 55 -2.370 0.587 -10.149 348 HB3 SER 55 HB1 SER 55 -1.740 0.256 -11.758 349 HG SER 55 HG SER 55 -3.165 -1.456 -10.022 350 H LYS 56 HN LYS 56 0.025 0.770 -8.095 351 HA LYS 56 HA LYS 56 1.456 2.904 -9.415 352 HB2 LYS 56 HB2 LYS 56 0.687 2.308 -6.574 353 HB3 LYS 56 HB1 LYS 56 1.821 3.588 -6.948 354 HG2 LYS 56 HG2 LYS 56 -0.985 3.406 -8.016 355 HG3 LYS 56 HG1 LYS 56 -0.479 4.398 -6.646 356 HD2 LYS 56 HD2 LYS 56 1.125 5.553 -8.181 357 HD3 LYS 56 HD1 LYS 56 0.398 4.661 -9.520 358 HE2 LYS 56 HE2 LYS 56 -1.770 5.660 -9.014 359 HE3 LYS 56 HE1 LYS 56 -1.060 6.532 -7.658 360 HZ1 LYS 56 HZ1 LYS 56 0.430 7.627 -9.291 361 HZ2 LYS 56 HZ2 LYS 56 -1.204 8.003 -9.496 362 HZ3 LYS 56 HZ3 LYS 56 -0.457 6.902 -10.538 363 H GLY 57 HN GLY 57 2.215 -0.171 -8.477 364 HA2 GLY 57 HA2 GLY 57 4.383 -1.051 -8.899 365 HA3 GLY 57 HA1 GLY 57 5.070 0.507 -8.471 366 H LEU 58 HN LEU 58 2.741 -0.155 -6.220 367 HA LEU 58 HA LEU 58 4.686 -0.669 -4.199 368 HB2 LEU 58 HB2 LEU 58 1.727 -0.368 -4.237 369 HB3 LEU 58 HB1 LEU 58 2.461 -1.149 -2.852 370 HG LEU 58 HG LEU 58 3.962 0.953 -2.741 371 HD11 LEU 58 HD11 LEU 58 1.674 2.009 -4.385 372 HD12 LEU 58 HD12 LEU 58 3.362 1.906 -4.885 373 HD13 LEU 58 HD13 LEU 58 2.895 2.988 -3.573 374 HD21 LEU 58 HD21 LEU 58 2.301 0.320 -1.089 375 HD22 LEU 58 HD22 LEU 58 1.038 1.085 -2.057 376 HD23 LEU 58 HD23 LEU 58 2.320 2.066 -1.345 377 H SER 59 HN SER 59 4.970 -2.458 -2.936 378 HA SER 59 HA SER 59 4.236 -4.999 -4.136 379 HB2 SER 59 HB2 SER 59 5.923 -4.493 -1.679 380 HB3 SER 59 HB1 SER 59 5.882 -5.954 -2.666 381 HG SER 59 HG SER 59 6.680 -4.588 -4.419 382 H ALA 60 HN ALA 60 3.516 -6.747 -2.571 383 HA ALA 60 HA ALA 60 1.054 -6.050 -1.479 384 HB1 ALA 60 HB1 ALA 60 1.627 -8.313 -2.216 385 HB2 ALA 60 HB2 ALA 60 0.994 -8.311 -0.570 386 HB3 ALA 60 HB3 ALA 60 2.727 -8.479 -0.848 387 H GLU 61 HN GLU 61 4.190 -6.439 0.104 388 HA GLU 61 HA GLU 61 3.226 -6.206 2.758 389 HB2 GLU 61 HB2 GLU 61 5.958 -5.700 1.585 390 HB3 GLU 61 HB1 GLU 61 5.613 -5.689 3.309 391 HG2 GLU 61 HG2 GLU 61 4.999 -7.995 3.268 392 HG3 GLU 61 HG1 GLU 61 5.109 -8.041 1.509 393 H GLU 62 HN GLU 62 4.282 -3.852 0.379 394 HA GLU 62 HA GLU 62 4.438 -1.608 2.087 395 HB2 GLU 62 HB2 GLU 62 3.628 -1.529 -0.819 396 HB3 GLU 62 HB1 GLU 62 4.471 -0.290 0.100 397 HG2 GLU 62 HG2 GLU 62 5.590 -2.983 -0.621 398 HG3 GLU 62 HG1 GLU 62 5.936 -1.478 -1.466 399 H ILE 63 HN ILE 63 1.894 -2.924 0.054 400 HA ILE 63 HA ILE 63 -0.117 -1.056 0.635 401 HB ILE 63 HB ILE 63 -0.411 -3.973 -0.109 402 HG12 ILE 63 HG12 ILE 63 -0.379 -1.544 -1.914 403 HG13 ILE 63 HG11 ILE 63 1.015 -2.587 -1.649 404 HG21 ILE 63 HG21 ILE 63 -2.331 -1.661 -0.338 405 HG22 ILE 63 HG22 ILE 63 -2.495 -3.071 0.707 406 HG23 ILE 63 HG23 ILE 63 -2.583 -3.255 -1.043 407 HD11 ILE 63 HD11 ILE 63 -0.232 -4.472 -2.579 408 HD12 ILE 63 HD12 ILE 63 -0.099 -3.137 -3.723 409 HD13 ILE 63 HD13 ILE 63 -1.614 -3.411 -2.862 410 H CYS 64 HN CYS 64 0.769 -4.125 2.127 411 HA CYS 64 HA CYS 64 -1.243 -4.372 4.025 412 HB2 CYS 64 HB2 CYS 64 0.284 -6.180 3.600 413 HB3 CYS 64 HB1 CYS 64 1.663 -5.205 4.091 414 HG CYS 64 HG CYS 64 -0.799 -5.994 6.321 415 H GLU 65 HN GLU 65 1.876 -2.675 4.283 416 HA GLU 65 HA GLU 65 1.539 -1.913 6.982 417 HB2 GLU 65 HB2 GLU 65 3.745 -1.984 6.026 418 HB3 GLU 65 HB1 GLU 65 3.296 -0.829 4.777 419 HG2 GLU 65 HG2 GLU 65 3.066 0.908 6.385 420 HG3 GLU 65 HG1 GLU 65 3.330 -0.215 7.714 421 H ALA 66 HN ALA 66 1.057 -0.204 3.914 422 HA ALA 66 HA ALA 66 0.342 2.283 4.926 423 HB1 ALA 66 HB1 ALA 66 0.835 1.870 2.567 424 HB2 ALA 66 HB2 ALA 66 -0.709 2.700 2.772 425 HB3 ALA 66 HB3 ALA 66 -0.674 0.973 2.409 426 H PHE 67 HN PHE 67 -1.738 -0.494 4.142 427 HA PHE 67 HA PHE 67 -4.187 0.686 4.742 428 HB2 PHE 67 HB2 PHE 67 -3.164 -2.066 4.511 429 HB3 PHE 67 HB1 PHE 67 -4.612 -1.887 5.495 430 HD1 PHE 67 HD1 PHE 67 -3.226 -1.735 2.141 431 HD2 PHE 67 HD2 PHE 67 -6.668 -1.035 4.528 432 HE1 PHE 67 HE1 PHE 67 -4.613 -1.646 0.112 433 HE2 PHE 67 HE2 PHE 67 -8.063 -0.948 2.509 434 HZ PHE 67 HZ PHE 67 -7.034 -1.256 0.297 435 H THR 68 HN THR 68 -1.919 -1.005 6.867 436 HA THR 68 HA THR 68 -3.597 -0.967 9.137 437 HB THR 68 HB THR 68 -0.582 -1.029 9.150 438 HG1 THR 68 HG1 THR 68 -1.136 -2.697 7.811 439 HG21 THR 68 HG21 THR 68 -2.632 -2.186 11.040 440 HG22 THR 68 HG22 THR 68 -1.641 -0.759 11.345 441 HG23 THR 68 HG23 THR 68 -0.882 -2.344 11.190 442 H LYS 69 HN LYS 69 -1.310 1.319 7.795 443 HA LYS 69 HA LYS 69 -1.215 3.028 10.068 444 HB2 LYS 69 HB2 LYS 69 -0.544 3.590 7.180 445 HB3 LYS 69 HB1 LYS 69 -0.164 4.651 8.531 446 HG2 LYS 69 HG2 LYS 69 0.902 2.257 9.333 447 HG3 LYS 69 HG1 LYS 69 1.190 2.247 7.597 448 HD2 LYS 69 HD2 LYS 69 1.926 4.526 9.424 449 HD3 LYS 69 HD1 LYS 69 3.039 3.246 8.941 450 HE2 LYS 69 HE2 LYS 69 2.639 3.881 6.579 451 HE3 LYS 69 HE1 LYS 69 1.659 5.227 7.153 452 HZ1 LYS 69 HZ1 LYS 69 3.923 5.918 6.651 453 HZ2 LYS 69 HZ2 LYS 69 4.532 4.813 7.774 454 HZ3 LYS 69 HZ3 LYS 69 3.585 6.113 8.296 455 H VAL 70 HN VAL 70 -3.379 2.735 7.354 456 HA VAL 70 HA VAL 70 -4.576 5.335 7.865 457 HB VAL 70 HB VAL 70 -5.962 4.983 5.964 458 HG11 VAL 70 HG11 VAL 70 -3.116 4.142 5.655 459 HG12 VAL 70 HG12 VAL 70 -3.894 5.660 5.201 460 HG13 VAL 70 HG13 VAL 70 -4.180 4.201 4.258 461 HG21 VAL 70 HG21 VAL 70 -6.657 2.683 6.344 462 HG22 VAL 70 HG22 VAL 70 -5.035 2.110 5.949 463 HG23 VAL 70 HG23 VAL 70 -6.028 2.872 4.707 464 H GLY 71 HN GLY 71 -4.761 2.599 9.509 465 HA2 GLY 71 HA2 GLY 71 -6.244 2.309 11.319 466 HA3 GLY 71 HA1 GLY 71 -7.435 3.282 10.468 467 H GLN 72 HN GLN 72 -5.922 0.872 8.596 468 HA GLN 72 HA GLN 72 -8.178 -0.967 9.032 469 HB2 GLN 72 HB2 GLN 72 -8.533 0.276 6.958 470 HB3 GLN 72 HB1 GLN 72 -6.916 -0.133 6.410 471 HG2 GLN 72 HG2 GLN 72 -8.422 -1.519 5.238 472 HG3 GLN 72 HG1 GLN 72 -7.612 -2.532 6.429 473 HE21 GLN 72 HE21 GLN 72 -10.564 -0.937 5.553 474 HE22 GLN 72 HE22 GLN 72 -11.606 -1.871 6.572 475 HA PRO 73 HA PRO 73 -4.230 -3.161 9.725 476 HB2 PRO 73 HB2 PRO 73 -5.284 -5.063 11.381 477 HB3 PRO 73 HB1 PRO 73 -4.715 -3.480 11.925 478 HG2 PRO 73 HG2 PRO 73 -7.497 -4.429 11.421 479 HG3 PRO 73 HG1 PRO 73 -6.894 -3.334 12.674 480 HD2 PRO 73 HD2 PRO 73 -8.195 -2.490 10.425 481 HD3 PRO 73 HD1 PRO 73 -7.010 -1.501 11.300 482 H LYS 74 HN LYS 74 -3.808 -4.130 7.846 483 HA LYS 74 HA LYS 74 -5.404 -6.492 7.129 484 HB2 LYS 74 HB2 LYS 74 -3.991 -4.486 5.382 485 HB3 LYS 74 HB1 LYS 74 -4.466 -6.070 4.784 486 HG2 LYS 74 HG2 LYS 74 -6.322 -3.977 5.903 487 HG3 LYS 74 HG1 LYS 74 -6.102 -4.368 4.195 488 HD2 LYS 74 HD2 LYS 74 -6.865 -6.665 4.649 489 HD3 LYS 74 HD1 LYS 74 -7.133 -6.226 6.334 490 HE2 LYS 74 HE2 LYS 74 -8.758 -4.523 5.594 491 HE3 LYS 74 HE1 LYS 74 -8.529 -5.061 3.931 492 HZ1 LYS 74 HZ1 LYS 74 -10.471 -6.091 4.855 493 HZ2 LYS 74 HZ2 LYS 74 -9.599 -6.684 6.174 494 HZ3 LYS 74 HZ3 LYS 74 -9.287 -7.281 4.618 495 H THR 75 HN THR 75 -4.402 -8.366 6.772 496 HA THR 75 HA THR 75 -1.592 -8.574 7.453 497 HB THR 75 HB THR 75 -2.046 -11.051 7.137 498 HG1 THR 75 HG1 THR 75 -4.787 -10.506 7.303 499 HG21 THR 75 HG21 THR 75 -3.747 -9.551 9.131 500 HG22 THR 75 HG22 THR 75 -2.066 -10.035 9.352 501 HG23 THR 75 HG23 THR 75 -3.328 -11.261 9.229 502 H LEU 76 HN LEU 76 -0.215 -10.019 6.077 503 HA LEU 76 HA LEU 76 -0.073 -9.093 3.420 504 HB2 LEU 76 HB2 LEU 76 1.853 -9.949 4.715 505 HB3 LEU 76 HB1 LEU 76 1.167 -11.561 4.647 506 HG LEU 76 HG LEU 76 1.400 -11.543 2.190 507 HD11 LEU 76 HD11 LEU 76 2.772 -8.900 2.653 508 HD12 LEU 76 HD12 LEU 76 1.248 -9.154 1.804 509 HD13 LEU 76 HD13 LEU 76 2.749 -9.790 1.132 510 HD21 LEU 76 HD21 LEU 76 3.156 -12.505 3.585 511 HD22 LEU 76 HD22 LEU 76 3.943 -10.930 3.686 512 HD23 LEU 76 HD23 LEU 76 3.828 -11.759 2.134 513 H ASN 77 HN ASN 77 -1.511 -11.878 4.928 514 HA ASN 77 HA ASN 77 -2.125 -13.463 2.723 515 HB2 ASN 77 HB2 ASN 77 -2.419 -14.172 5.061 516 HB3 ASN 77 HB1 ASN 77 -3.734 -13.023 5.251 517 HD21 ASN 77 HD21 ASN 77 -5.224 -14.579 5.761 518 HD22 ASN 77 HD22 ASN 77 -5.847 -15.698 4.601 519 H GLU 78 HN GLU 78 -3.958 -10.828 4.220 520 HA GLU 78 HA GLU 78 -6.227 -10.910 2.598 521 HB2 GLU 78 HB2 GLU 78 -4.891 -8.772 4.200 522 HB3 GLU 78 HB1 GLU 78 -6.189 -8.320 3.104 523 HG2 GLU 78 HG2 GLU 78 -6.474 -10.440 5.207 524 HG3 GLU 78 HG1 GLU 78 -6.859 -8.742 5.481 525 H ILE 79 HN ILE 79 -3.207 -9.104 2.174 526 HA ILE 79 HA ILE 79 -4.052 -7.689 -0.111 527 HB ILE 79 HB ILE 79 -1.204 -8.397 0.600 528 HG12 ILE 79 HG12 ILE 79 -2.265 -7.382 2.542 529 HG13 ILE 79 HG11 ILE 79 -1.178 -6.215 1.797 530 HG21 ILE 79 HG21 ILE 79 -0.683 -6.302 -0.580 531 HG22 ILE 79 HG22 ILE 79 -2.387 -6.132 -1.000 532 HG23 ILE 79 HG23 ILE 79 -1.454 -7.489 -1.632 533 HD11 ILE 79 HD11 ILE 79 -4.175 -6.284 1.537 534 HD12 ILE 79 HD12 ILE 79 -3.108 -5.141 0.721 535 HD13 ILE 79 HD13 ILE 79 -3.223 -5.139 2.481 536 H LYS 80 HN LYS 80 -2.138 -10.678 0.231 537 HA LYS 80 HA LYS 80 -1.783 -11.181 -2.516 538 HB2 LYS 80 HB2 LYS 80 -2.039 -13.133 -0.222 539 HB3 LYS 80 HB1 LYS 80 -1.509 -13.563 -1.841 540 HG2 LYS 80 HG2 LYS 80 0.379 -11.956 -1.556 541 HG3 LYS 80 HG1 LYS 80 -0.110 -11.784 0.133 542 HD2 LYS 80 HD2 LYS 80 0.207 -14.155 0.499 543 HD3 LYS 80 HD1 LYS 80 0.603 -14.391 -1.202 544 HE2 LYS 80 HE2 LYS 80 2.583 -12.993 -0.944 545 HE3 LYS 80 HE1 LYS 80 2.179 -12.723 0.752 546 HZ1 LYS 80 HZ1 LYS 80 3.841 -14.446 0.527 547 HZ2 LYS 80 HZ2 LYS 80 2.829 -15.342 -0.486 548 HZ3 LYS 80 HZ3 LYS 80 2.408 -15.106 1.136 549 H ARG 81 HN ARG 81 -4.317 -12.096 -0.272 550 HA ARG 81 HA ARG 81 -5.846 -13.734 -1.948 551 HB2 ARG 81 HB2 ARG 81 -6.089 -13.360 0.553 552 HB3 ARG 81 HB1 ARG 81 -6.945 -11.876 0.160 553 HG2 ARG 81 HG2 ARG 81 -8.594 -13.488 0.558 554 HG3 ARG 81 HG1 ARG 81 -8.524 -13.301 -1.192 555 HD2 ARG 81 HD2 ARG 81 -8.631 -15.684 -0.320 556 HD3 ARG 81 HD1 ARG 81 -7.351 -15.320 -1.476 557 HE ARG 81 HE ARG 81 -6.495 -15.014 1.238 558 HH11 ARG 81 HH11 ARG 81 -7.067 -17.385 -1.269 559 HH12 ARG 81 HH12 ARG 81 -5.874 -18.492 -0.668 560 HH21 ARG 81 HH21 ARG 81 -4.894 -16.450 2.010 561 HH22 ARG 81 HH22 ARG 81 -4.641 -17.963 1.192 562 H ILE 82 HN ILE 82 -5.997 -10.273 -1.321 563 HA ILE 82 HA ILE 82 -8.176 -9.735 -3.025 564 HB ILE 82 HB ILE 82 -5.985 -7.954 -1.952 565 HG12 ILE 82 HG12 ILE 82 -8.896 -8.088 -1.167 566 HG13 ILE 82 HG11 ILE 82 -7.661 -9.076 -0.391 567 HG21 ILE 82 HG21 ILE 82 -7.422 -6.062 -2.574 568 HG22 ILE 82 HG22 ILE 82 -8.504 -7.178 -3.411 569 HG23 ILE 82 HG23 ILE 82 -6.850 -6.957 -3.982 570 HD11 ILE 82 HD11 ILE 82 -6.479 -6.985 0.237 571 HD12 ILE 82 HD12 ILE 82 -8.075 -7.159 0.962 572 HD13 ILE 82 HD13 ILE 82 -7.845 -6.074 -0.410 573 H LEU 83 HN LEU 83 -4.691 -9.848 -3.536 574 HA LEU 83 HA LEU 83 -4.873 -8.816 -6.224 575 HB2 LEU 83 HB2 LEU 83 -2.587 -10.058 -4.701 576 HB3 LEU 83 HB1 LEU 83 -2.450 -9.423 -6.330 577 HG LEU 83 HG LEU 83 -3.152 -7.824 -3.868 578 HD11 LEU 83 HD11 LEU 83 -0.976 -6.763 -4.237 579 HD12 LEU 83 HD12 LEU 83 -0.658 -7.883 -5.562 580 HD13 LEU 83 HD13 LEU 83 -0.815 -8.490 -3.913 581 HD21 LEU 83 HD21 LEU 83 -2.812 -5.897 -5.471 582 HD22 LEU 83 HD22 LEU 83 -4.288 -6.833 -5.679 583 HD23 LEU 83 HD23 LEU 83 -2.930 -7.082 -6.772 584 H SER 84 HN SER 84 -5.699 -11.710 -4.925 585 HA SER 84 HA SER 84 -4.731 -13.426 -7.013 586 HB2 SER 84 HB2 SER 84 -6.943 -13.867 -4.992 587 HB3 SER 84 HB1 SER 84 -6.235 -15.108 -6.024 588 HG SER 84 HG SER 84 -4.640 -13.547 -4.280 Start of MODEL 11 1 H1 LYS 15 HT1 LYS 15 18.917 -13.576 5.770 2 H2 LYS 15 HT2 LYS 15 17.524 -12.956 5.042 3 H3 LYS 15 HT3 LYS 15 17.859 -12.605 6.658 4 HA LYS 15 HA LYS 15 19.793 -11.353 6.048 5 HB2 LYS 15 HB2 LYS 15 18.942 -12.024 3.225 6 HB3 LYS 15 HB1 LYS 15 20.183 -10.855 3.644 7 HG2 LYS 15 HG2 LYS 15 21.499 -12.652 4.683 8 HG3 LYS 15 HG1 LYS 15 20.265 -13.814 4.192 9 HD2 LYS 15 HD2 LYS 15 20.653 -13.248 1.849 10 HD3 LYS 15 HD1 LYS 15 21.864 -12.059 2.330 11 HE2 LYS 15 HE2 LYS 15 22.019 -15.029 2.834 12 HE3 LYS 15 HE1 LYS 15 22.884 -14.158 1.571 13 HZ1 LYS 15 HZ1 LYS 15 23.213 -13.793 4.497 14 HZ2 LYS 15 HZ2 LYS 15 23.999 -12.874 3.319 15 HZ3 LYS 15 HZ3 LYS 15 24.316 -14.530 3.448 16 HA PRO 16 HA PRO 16 16.622 -8.223 5.853 17 HB2 PRO 16 HB2 PRO 16 17.960 -6.301 7.123 18 HB3 PRO 16 HB1 PRO 16 17.430 -7.753 7.977 19 HG2 PRO 16 HG2 PRO 16 20.144 -7.019 6.995 20 HG3 PRO 16 HG1 PRO 16 19.679 -7.893 8.464 21 HD2 PRO 16 HD2 PRO 16 20.568 -9.039 6.058 22 HD3 PRO 16 HD1 PRO 16 19.780 -9.893 7.399 23 H GLU 17 HN GLU 17 18.258 -8.662 3.470 24 HA GLU 17 HA GLU 17 18.803 -5.887 2.683 25 HB2 GLU 17 HB2 GLU 17 19.975 -8.464 1.654 26 HB3 GLU 17 HB1 GLU 17 20.188 -6.923 0.837 27 HG2 GLU 17 HG2 GLU 17 21.256 -6.024 2.858 28 HG3 GLU 17 HG1 GLU 17 21.083 -7.599 3.628 29 H VAL 18 HN VAL 18 16.313 -7.681 2.635 30 HA VAL 18 HA VAL 18 15.557 -7.688 -0.139 31 HB VAL 18 HB VAL 18 13.751 -7.801 2.285 32 HG11 VAL 18 HG11 VAL 18 12.565 -7.240 0.245 33 HG12 VAL 18 HG12 VAL 18 12.156 -8.876 0.763 34 HG13 VAL 18 HG13 VAL 18 13.279 -8.628 -0.574 35 HG21 VAL 18 HG21 VAL 18 15.382 -9.604 2.377 36 HG22 VAL 18 HG22 VAL 18 14.984 -10.068 0.724 37 HG23 VAL 18 HG23 VAL 18 13.780 -10.237 2.001 38 H GLU 19 HN GLU 19 15.207 -5.640 2.634 39 HA GLU 19 HA GLU 19 13.811 -3.567 1.197 40 HB2 GLU 19 HB2 GLU 19 14.246 -2.286 3.352 41 HB3 GLU 19 HB1 GLU 19 13.256 -3.732 3.486 42 HG2 GLU 19 HG2 GLU 19 15.162 -4.985 4.314 43 HG3 GLU 19 HG1 GLU 19 16.190 -3.567 4.135 44 H HIS 20 HN HIS 20 15.346 -3.342 -0.518 45 HA HIS 20 HA HIS 20 18.053 -2.557 0.082 46 HB2 HIS 20 HB2 HIS 20 17.537 -3.919 -1.903 47 HB3 HIS 20 HB1 HIS 20 16.571 -2.602 -2.556 48 HD1 HIS 20 HD1 HIS 20 17.774 -1.191 -4.195 49 HD2 HIS 20 HD2 HIS 20 20.377 -3.001 -1.507 50 HE1 HIS 20 HE1 HIS 20 20.080 -0.518 -4.928 51 HE2 HIS 20 HE2 HIS 20 21.643 -1.705 -3.350 52 H THR 21 HN THR 21 15.064 -0.989 -0.781 53 HA THR 21 HA THR 21 16.443 1.599 -0.641 54 HB THR 21 HB THR 21 14.631 2.387 -2.278 55 HG1 THR 21 HG1 THR 21 13.874 0.663 -3.656 56 HG21 THR 21 HG21 THR 21 15.950 1.695 -4.220 57 HG22 THR 21 HG22 THR 21 16.747 0.460 -3.244 58 HG23 THR 21 HG23 THR 21 16.995 2.168 -2.882 59 H HIS 22 HN HIS 22 15.892 2.210 1.377 60 HA HIS 22 HA HIS 22 13.362 1.656 2.556 61 HB2 HIS 22 HB2 HIS 22 15.565 3.546 3.388 62 HB3 HIS 22 HB1 HIS 22 14.123 3.243 4.348 63 HD1 HIS 22 HD1 HIS 22 17.197 2.551 5.057 64 HD2 HIS 22 HD2 HIS 22 14.195 -0.084 3.920 65 HE1 HIS 22 HE1 HIS 22 17.885 0.311 5.967 66 HE2 HIS 22 HE2 HIS 22 15.935 -1.210 5.467 67 H SER 23 HN SER 23 14.792 4.556 1.116 68 HA SER 23 HA SER 23 12.667 6.295 1.733 69 HB2 SER 23 HB2 SER 23 14.639 6.448 -0.559 70 HB3 SER 23 HB1 SER 23 13.670 7.784 0.067 71 HG SER 23 HG SER 23 14.749 7.489 2.087 72 H GLU 24 HN GLU 24 13.316 4.231 -1.046 73 HA GLU 24 HA GLU 24 11.127 5.036 -2.628 74 HB2 GLU 24 HB2 GLU 24 12.734 2.489 -2.519 75 HB3 GLU 24 HB1 GLU 24 11.442 2.732 -3.679 76 HG2 GLU 24 HG2 GLU 24 13.687 3.171 -4.595 77 HG3 GLU 24 HG1 GLU 24 12.608 4.553 -4.700 78 H ARG 25 HN ARG 25 11.494 2.386 -0.281 79 HA ARG 25 HA ARG 25 8.872 1.411 -0.498 80 HB2 ARG 25 HB2 ARG 25 10.354 -0.026 0.572 81 HB3 ARG 25 HB1 ARG 25 11.039 1.255 1.562 82 HG2 ARG 25 HG2 ARG 25 9.191 1.263 3.005 83 HG3 ARG 25 HG1 ARG 25 8.234 0.265 1.911 84 HD2 ARG 25 HD2 ARG 25 10.767 -0.642 3.269 85 HD3 ARG 25 HD1 ARG 25 9.145 -0.967 3.879 86 HE ARG 25 HE ARG 25 9.093 -1.888 1.308 87 HH11 ARG 25 HH11 ARG 25 11.097 -2.525 4.118 88 HH12 ARG 25 HH12 ARG 25 11.432 -4.166 3.663 89 HH21 ARG 25 HH21 ARG 25 9.552 -4.052 0.708 90 HH22 ARG 25 HH22 ARG 25 10.571 -5.028 1.721 91 H GLU 26 HN GLU 26 10.347 3.851 1.582 92 HA GLU 26 HA GLU 26 8.165 4.417 3.216 93 HB2 GLU 26 HB2 GLU 26 10.382 5.216 3.729 94 HB3 GLU 26 HB1 GLU 26 10.424 6.174 2.256 95 HG2 GLU 26 HG2 GLU 26 8.619 7.572 3.129 96 HG3 GLU 26 HG1 GLU 26 8.621 6.630 4.618 97 H LYS 27 HN LYS 27 9.072 5.821 0.070 98 HA LYS 27 HA LYS 27 6.995 7.765 0.123 99 HB2 LYS 27 HB2 LYS 27 7.570 8.259 -2.158 100 HB3 LYS 27 HB1 LYS 27 9.056 7.994 -1.259 101 HG2 LYS 27 HG2 LYS 27 9.135 5.692 -2.170 102 HG3 LYS 27 HG1 LYS 27 7.719 6.072 -3.149 103 HD2 LYS 27 HD2 LYS 27 10.340 7.557 -3.266 104 HD3 LYS 27 HD1 LYS 27 9.857 6.281 -4.383 105 HE2 LYS 27 HE2 LYS 27 7.920 7.623 -5.064 106 HE3 LYS 27 HE1 LYS 27 8.422 8.900 -3.957 107 HZ1 LYS 27 HZ1 LYS 27 9.099 9.297 -6.273 108 HZ2 LYS 27 HZ2 LYS 27 10.059 7.907 -6.224 109 HZ3 LYS 27 HZ3 LYS 27 10.416 9.218 -5.219 110 H ARG 28 HN ARG 28 7.268 4.511 -1.215 111 HA ARG 28 HA ARG 28 4.857 4.541 -2.669 112 HB2 ARG 28 HB2 ARG 28 6.360 2.232 -1.432 113 HB3 ARG 28 HB1 ARG 28 4.987 2.049 -2.506 114 HG2 ARG 28 HG2 ARG 28 6.320 3.390 -4.198 115 HG3 ARG 28 HG1 ARG 28 7.706 3.129 -3.139 116 HD2 ARG 28 HD2 ARG 28 6.010 0.994 -4.428 117 HD3 ARG 28 HD1 ARG 28 7.637 1.462 -4.911 118 HE ARG 28 HE ARG 28 7.572 0.654 -2.186 119 HH11 ARG 28 HH11 ARG 28 7.491 -0.596 -5.449 120 HH12 ARG 28 HH12 ARG 28 8.211 -2.117 -5.025 121 HH21 ARG 28 HH21 ARG 28 8.509 -1.370 -1.608 122 HH22 ARG 28 HH22 ARG 28 8.802 -2.550 -2.856 123 H VAL 29 HN VAL 29 5.592 3.477 0.638 124 HA VAL 29 HA VAL 29 2.955 2.734 1.304 125 HB VAL 29 HB VAL 29 5.215 3.660 3.089 126 HG11 VAL 29 HG11 VAL 29 2.628 2.301 3.842 127 HG12 VAL 29 HG12 VAL 29 3.073 3.965 4.220 128 HG13 VAL 29 HG13 VAL 29 3.975 2.628 4.932 129 HG21 VAL 29 HG21 VAL 29 4.208 0.911 2.360 130 HG22 VAL 29 HG22 VAL 29 5.453 1.249 3.562 131 HG23 VAL 29 HG23 VAL 29 5.738 1.637 1.866 132 H SER 30 HN SER 30 4.705 5.800 1.586 133 HA SER 30 HA SER 30 2.720 7.222 2.971 134 HB2 SER 30 HB2 SER 30 4.806 8.247 1.033 135 HB3 SER 30 HB1 SER 30 3.879 9.247 2.153 136 HG SER 30 HG SER 30 5.916 7.378 2.676 137 H ASN 31 HN ASN 31 3.293 6.843 -0.515 138 HA ASN 31 HA ASN 31 1.196 8.475 -1.417 139 HB2 ASN 31 HB2 ASN 31 2.534 6.072 -2.665 140 HB3 ASN 31 HB1 ASN 31 1.302 7.013 -3.492 141 HD21 ASN 31 HD21 ASN 31 4.082 6.585 -4.202 142 HD22 ASN 31 HD22 ASN 31 4.807 8.153 -4.286 143 H ALA 32 HN ALA 32 1.288 5.148 -0.367 144 HA ALA 32 HA ALA 32 -1.365 4.495 -1.180 145 HB1 ALA 32 HB1 ALA 32 -1.054 2.488 0.190 146 HB2 ALA 32 HB2 ALA 32 0.448 3.163 0.821 147 HB3 ALA 32 HB3 ALA 32 0.308 2.768 -0.892 148 H VAL 33 HN VAL 33 0.105 5.455 1.901 149 HA VAL 33 HA VAL 33 -2.202 5.221 3.482 150 HB VAL 33 HB VAL 33 0.181 7.061 3.798 151 HG11 VAL 33 HG11 VAL 33 -1.941 6.378 5.835 152 HG12 VAL 33 HG12 VAL 33 -1.750 7.938 5.034 153 HG13 VAL 33 HG13 VAL 33 -0.494 7.346 6.121 154 HG21 VAL 33 HG21 VAL 33 -0.505 4.416 5.078 155 HG22 VAL 33 HG22 VAL 33 0.897 5.411 5.472 156 HG23 VAL 33 HG23 VAL 33 0.744 4.698 3.866 157 H GLU 34 HN GLU 34 -0.933 7.943 1.611 158 HA GLU 34 HA GLU 34 -2.914 9.787 2.448 159 HB2 GLU 34 HB2 GLU 34 -2.073 11.226 0.695 160 HB3 GLU 34 HB1 GLU 34 -0.724 10.448 1.504 161 HG2 GLU 34 HG2 GLU 34 -0.464 8.902 -0.306 162 HG3 GLU 34 HG1 GLU 34 -1.891 9.553 -1.108 163 H PHE 35 HN PHE 35 -2.700 7.501 -0.219 164 HA PHE 35 HA PHE 35 -5.010 8.448 -1.598 165 HB2 PHE 35 HB2 PHE 35 -3.296 7.179 -2.770 166 HB3 PHE 35 HB1 PHE 35 -3.553 5.798 -1.714 167 HD1 PHE 35 HD1 PHE 35 -5.158 7.878 -4.323 168 HD2 PHE 35 HD2 PHE 35 -5.164 4.178 -2.220 169 HE1 PHE 35 HE1 PHE 35 -6.813 6.980 -5.909 170 HE2 PHE 35 HE2 PHE 35 -6.818 3.277 -3.800 171 HZ PHE 35 HZ PHE 35 -7.644 4.678 -5.648 172 H LEU 36 HN LEU 36 -4.395 5.814 0.695 173 HA LEU 36 HA LEU 36 -6.972 4.691 0.641 174 HB2 LEU 36 HB2 LEU 36 -4.833 4.710 2.744 175 HB3 LEU 36 HB1 LEU 36 -6.305 3.773 2.897 176 HG LEU 36 HG LEU 36 -4.239 3.446 0.718 177 HD11 LEU 36 HD11 LEU 36 -4.850 1.751 3.134 178 HD12 LEU 36 HD12 LEU 36 -3.395 2.712 2.871 179 HD13 LEU 36 HD13 LEU 36 -3.735 1.325 1.837 180 HD21 LEU 36 HD21 LEU 36 -5.509 1.394 0.196 181 HD22 LEU 36 HD22 LEU 36 -6.437 2.866 -0.083 182 HD23 LEU 36 HD23 LEU 36 -6.742 1.890 1.355 183 H LEU 37 HN LEU 37 -5.693 7.446 2.341 184 HA LEU 37 HA LEU 37 -7.928 7.551 4.169 185 HB2 LEU 37 HB2 LEU 37 -5.396 9.066 3.812 186 HB3 LEU 37 HB1 LEU 37 -6.712 9.845 4.672 187 HG LEU 37 HG LEU 37 -5.429 7.218 5.423 188 HD11 LEU 37 HD11 LEU 37 -4.600 8.447 7.367 189 HD12 LEU 37 HD12 LEU 37 -5.300 9.934 6.729 190 HD13 LEU 37 HD13 LEU 37 -3.986 9.136 5.864 191 HD21 LEU 37 HD21 LEU 37 -6.823 7.533 7.496 192 HD22 LEU 37 HD22 LEU 37 -7.722 7.134 6.033 193 HD23 LEU 37 HD23 LEU 37 -7.694 8.795 6.620 194 H ASP 38 HN ASP 38 -7.726 8.310 1.020 195 HA ASP 38 HA ASP 38 -8.971 10.899 1.105 196 HB2 ASP 38 HB2 ASP 38 -7.568 10.086 -0.826 197 HB3 ASP 38 HB1 ASP 38 -8.872 8.983 -1.230 198 H SER 39 HN SER 39 -11.124 11.379 0.912 199 HA SER 39 HA SER 39 -12.963 9.596 1.979 200 HB2 SER 39 HB2 SER 39 -13.490 12.065 0.320 201 HB3 SER 39 HB1 SER 39 -14.664 11.259 1.358 202 HG SER 39 HG SER 39 -13.296 11.712 3.133 203 H ARG 40 HN ARG 40 -12.262 10.297 -1.433 204 HA ARG 40 HA ARG 40 -14.535 8.908 -2.440 205 HB2 ARG 40 HB2 ARG 40 -13.786 9.540 -4.496 206 HB3 ARG 40 HB1 ARG 40 -12.764 10.616 -3.556 207 HG2 ARG 40 HG2 ARG 40 -11.054 8.705 -3.611 208 HG3 ARG 40 HG1 ARG 40 -12.043 8.055 -4.912 209 HD2 ARG 40 HD2 ARG 40 -10.430 9.310 -6.026 210 HD3 ARG 40 HD1 ARG 40 -11.821 10.395 -5.961 211 HE ARG 40 HE ARG 40 -10.339 10.917 -3.688 212 HH11 ARG 40 HH11 ARG 40 -9.874 11.133 -7.157 213 HH12 ARG 40 HH12 ARG 40 -8.639 12.342 -7.044 214 HH21 ARG 40 HH21 ARG 40 -8.713 12.490 -3.531 215 HH22 ARG 40 HH22 ARG 40 -7.983 13.126 -4.976 216 H VAL 41 HN VAL 41 -11.301 8.044 -1.520 217 HA VAL 41 HA VAL 41 -11.401 5.385 -2.614 218 HB VAL 41 HB VAL 41 -9.443 6.633 -0.671 219 HG11 VAL 41 HG11 VAL 41 -9.413 4.203 -0.507 220 HG12 VAL 41 HG12 VAL 41 -7.956 4.780 -1.318 221 HG13 VAL 41 HG13 VAL 41 -9.267 4.069 -2.259 222 HG21 VAL 41 HG21 VAL 41 -7.995 6.845 -2.638 223 HG22 VAL 41 HG22 VAL 41 -9.483 7.772 -2.814 224 HG23 VAL 41 HG23 VAL 41 -9.298 6.235 -3.657 225 H ARG 42 HN ARG 42 -11.975 6.936 0.488 226 HA ARG 42 HA ARG 42 -12.319 4.613 2.038 227 HB2 ARG 42 HB2 ARG 42 -13.847 7.216 2.264 228 HB3 ARG 42 HB1 ARG 42 -13.728 5.983 3.509 229 HG2 ARG 42 HG2 ARG 42 -11.325 6.391 3.683 230 HG3 ARG 42 HG1 ARG 42 -11.451 7.633 2.436 231 HD2 ARG 42 HD2 ARG 42 -13.150 8.766 3.931 232 HD3 ARG 42 HD1 ARG 42 -12.651 7.641 5.192 233 HE ARG 42 HE ARG 42 -10.453 9.054 4.006 234 HH11 ARG 42 HH11 ARG 42 -12.958 9.215 6.445 235 HH12 ARG 42 HH12 ARG 42 -12.111 10.378 7.416 236 HH21 ARG 42 HH21 ARG 42 -9.347 10.597 5.272 237 HH22 ARG 42 HH22 ARG 42 -10.059 11.155 6.754 238 H ARG 43 HN ARG 43 -14.248 6.092 -0.407 239 HA ARG 43 HA ARG 43 -16.648 4.625 0.253 240 HB2 ARG 43 HB2 ARG 43 -16.822 6.901 -0.610 241 HB3 ARG 43 HB1 ARG 43 -15.979 6.434 -2.076 242 HG2 ARG 43 HG2 ARG 43 -18.334 6.626 -2.521 243 HG3 ARG 43 HG1 ARG 43 -17.849 4.937 -2.650 244 HD2 ARG 43 HD2 ARG 43 -19.108 6.140 -0.188 245 HD3 ARG 43 HD1 ARG 43 -20.021 5.330 -1.459 246 HE ARG 43 HE ARG 43 -18.064 3.549 -0.701 247 HH11 ARG 43 HH11 ARG 43 -20.768 5.161 0.820 248 HH12 ARG 43 HH12 ARG 43 -20.980 3.937 2.029 249 HH21 ARG 43 HH21 ARG 43 -18.318 1.946 0.898 250 HH22 ARG 43 HH22 ARG 43 -19.581 2.104 2.076 251 H THR 44 HN THR 44 -13.854 4.112 -1.714 252 HA THR 44 HA THR 44 -15.168 2.239 -3.468 253 HB THR 44 HB THR 44 -12.781 1.695 -4.154 254 HG1 THR 44 HG1 THR 44 -12.193 3.075 -2.007 255 HG21 THR 44 HG21 THR 44 -13.725 4.546 -4.420 256 HG22 THR 44 HG22 THR 44 -14.200 3.197 -5.451 257 HG23 THR 44 HG23 THR 44 -12.529 3.761 -5.452 258 HA PRO 45 HA PRO 45 -14.594 -1.427 -1.012 259 HB2 PRO 45 HB2 PRO 45 -13.985 -3.247 -2.959 260 HB3 PRO 45 HB1 PRO 45 -15.624 -2.673 -2.636 261 HG2 PRO 45 HG2 PRO 45 -13.693 -1.806 -4.748 262 HG3 PRO 45 HG1 PRO 45 -15.440 -2.086 -4.873 263 HD2 PRO 45 HD2 PRO 45 -14.393 0.391 -4.673 264 HD3 PRO 45 HD1 PRO 45 -15.963 -0.032 -3.960 265 H THR 46 HN THR 46 -12.966 -2.884 -0.270 266 HA THR 46 HA THR 46 -10.403 -1.779 -0.107 267 HB THR 46 HB THR 46 -10.731 -4.705 0.309 268 HG1 THR 46 HG1 THR 46 -11.881 -4.206 2.301 269 HG21 THR 46 HG21 THR 46 -9.515 -4.203 2.375 270 HG22 THR 46 HG22 THR 46 -9.591 -2.481 2.005 271 HG23 THR 46 HG23 THR 46 -8.666 -3.566 0.967 272 H SER 47 HN SER 47 -11.751 -4.220 -2.233 273 HA SER 47 HA SER 47 -9.412 -5.300 -3.291 274 HB2 SER 47 HB2 SER 47 -10.959 -5.714 -5.329 275 HB3 SER 47 HB1 SER 47 -11.399 -6.444 -3.785 276 HG SER 47 HG SER 47 -13.021 -5.128 -5.122 277 H SER 48 HN SER 48 -11.297 -2.483 -4.330 278 HA SER 48 HA SER 48 -9.771 -1.874 -6.605 279 HB2 SER 48 HB2 SER 48 -11.456 -0.117 -4.819 280 HB3 SER 48 HB1 SER 48 -10.834 0.343 -6.393 281 HG SER 48 HG SER 48 -11.994 -1.852 -6.925 282 H LYS 49 HN LYS 49 -9.610 -0.767 -3.249 283 HA LYS 49 HA LYS 49 -7.645 1.195 -3.523 284 HB2 LYS 49 HB2 LYS 49 -7.944 -0.656 -1.155 285 HB3 LYS 49 HB1 LYS 49 -7.278 0.969 -1.153 286 HG2 LYS 49 HG2 LYS 49 -9.473 1.881 -1.671 287 HG3 LYS 49 HG1 LYS 49 -10.145 0.249 -1.710 288 HD2 LYS 49 HD2 LYS 49 -9.341 -0.009 0.672 289 HD3 LYS 49 HD1 LYS 49 -9.000 1.723 0.657 290 HE2 LYS 49 HE2 LYS 49 -11.353 2.160 0.097 291 HE3 LYS 49 HE1 LYS 49 -11.674 0.427 0.160 292 HZ1 LYS 49 HZ1 LYS 49 -12.327 1.472 2.214 293 HZ2 LYS 49 HZ2 LYS 49 -10.789 2.133 2.425 294 HZ3 LYS 49 HZ3 LYS 49 -11.005 0.459 2.508 295 H VAL 50 HN VAL 50 -7.353 -2.255 -2.788 296 HA VAL 50 HA VAL 50 -4.528 -2.228 -2.492 297 HB VAL 50 HB VAL 50 -6.337 -4.564 -3.143 298 HG11 VAL 50 HG11 VAL 50 -3.516 -4.501 -2.075 299 HG12 VAL 50 HG12 VAL 50 -4.021 -5.073 -3.664 300 HG13 VAL 50 HG13 VAL 50 -4.522 -5.942 -2.214 301 HG21 VAL 50 HG21 VAL 50 -6.967 -3.457 -1.066 302 HG22 VAL 50 HG22 VAL 50 -5.301 -3.554 -0.495 303 HG23 VAL 50 HG23 VAL 50 -6.237 -5.028 -0.738 304 H HIS 51 HN HIS 51 -6.652 -2.982 -5.221 305 HA HIS 51 HA HIS 51 -4.617 -3.903 -6.953 306 HB2 HIS 51 HB2 HIS 51 -7.384 -2.827 -7.462 307 HB3 HIS 51 HB1 HIS 51 -6.323 -3.324 -8.775 308 HD1 HIS 51 HD1 HIS 51 -8.244 -5.133 -9.247 309 HD2 HIS 51 HD2 HIS 51 -6.093 -5.639 -5.730 310 HE1 HIS 51 HE1 HIS 51 -8.701 -7.487 -8.510 311 HE2 HIS 51 HE2 HIS 51 -7.294 -7.815 -6.449 312 H PHE 52 HN PHE 52 -6.050 -0.700 -6.467 313 HA PHE 52 HA PHE 52 -4.663 0.553 -8.591 314 HB2 PHE 52 HB2 PHE 52 -6.690 1.484 -7.454 315 HB3 PHE 52 HB1 PHE 52 -5.684 1.848 -6.055 316 HD1 PHE 52 HD1 PHE 52 -4.147 3.694 -6.076 317 HD2 PHE 52 HD2 PHE 52 -6.409 2.707 -9.543 318 HE1 PHE 52 HE1 PHE 52 -3.546 5.856 -7.082 319 HE2 PHE 52 HE2 PHE 52 -5.812 4.868 -10.553 320 HZ PHE 52 HZ PHE 52 -4.378 6.444 -9.322 321 H LEU 53 HN LEU 53 -3.942 0.159 -5.144 322 HA LEU 53 HA LEU 53 -1.609 1.729 -5.104 323 HB2 LEU 53 HB2 LEU 53 -2.389 -0.629 -3.391 324 HB3 LEU 53 HB1 LEU 53 -1.026 0.423 -3.064 325 HG LEU 53 HG LEU 53 -3.933 1.231 -3.079 326 HD11 LEU 53 HD11 LEU 53 -1.930 0.916 -0.855 327 HD12 LEU 53 HD12 LEU 53 -3.375 -0.058 -1.130 328 HD13 LEU 53 HD13 LEU 53 -3.527 1.641 -0.679 329 HD21 LEU 53 HD21 LEU 53 -1.445 2.857 -2.580 330 HD22 LEU 53 HD22 LEU 53 -3.088 3.399 -2.241 331 HD23 LEU 53 HD23 LEU 53 -2.597 3.060 -3.900 332 H LYS 54 HN LYS 54 -2.094 -1.726 -5.741 333 HA LYS 54 HA LYS 54 0.579 -2.432 -6.078 334 HB2 LYS 54 HB2 LYS 54 -1.306 -4.027 -5.913 335 HB3 LYS 54 HB1 LYS 54 -1.857 -3.516 -7.503 336 HG2 LYS 54 HG2 LYS 54 -0.645 -5.618 -7.614 337 HG3 LYS 54 HG1 LYS 54 0.196 -4.342 -8.498 338 HD2 LYS 54 HD2 LYS 54 1.622 -3.994 -6.469 339 HD3 LYS 54 HD1 LYS 54 0.867 -5.429 -5.767 340 HE2 LYS 54 HE2 LYS 54 1.690 -6.791 -7.555 341 HE3 LYS 54 HE1 LYS 54 2.300 -5.374 -8.402 342 HZ1 LYS 54 HZ1 LYS 54 4.082 -6.520 -7.275 343 HZ2 LYS 54 HZ2 LYS 54 3.279 -6.394 -5.795 344 HZ3 LYS 54 HZ3 LYS 54 3.843 -5.001 -6.571 345 H SER 55 HN SER 55 -1.797 -1.093 -8.304 346 HA SER 55 HA SER 55 -0.179 -1.134 -10.626 347 HB2 SER 55 HB2 SER 55 -2.628 -0.942 -10.709 348 HB3 SER 55 HB1 SER 55 -2.539 0.630 -9.918 349 HG SER 55 HG SER 55 -0.953 0.551 -12.117 350 H LYS 56 HN LYS 56 -0.244 0.911 -7.864 351 HA LYS 56 HA LYS 56 1.060 3.158 -9.101 352 HB2 LYS 56 HB2 LYS 56 0.397 2.405 -6.268 353 HB3 LYS 56 HB1 LYS 56 1.370 3.811 -6.641 354 HG2 LYS 56 HG2 LYS 56 -1.412 3.339 -7.679 355 HG3 LYS 56 HG1 LYS 56 -1.022 4.313 -6.260 356 HD2 LYS 56 HD2 LYS 56 -0.046 4.839 -9.069 357 HD3 LYS 56 HD1 LYS 56 -1.370 5.687 -8.271 358 HE2 LYS 56 HE2 LYS 56 0.237 6.404 -6.508 359 HE3 LYS 56 HE1 LYS 56 1.533 5.671 -7.449 360 HZ1 LYS 56 HZ1 LYS 56 1.016 7.180 -9.265 361 HZ2 LYS 56 HZ2 LYS 56 1.377 8.040 -7.859 362 HZ3 LYS 56 HZ3 LYS 56 -0.227 7.882 -8.361 363 H GLY 57 HN GLY 57 2.143 0.179 -8.579 364 HA2 GLY 57 HA2 GLY 57 4.371 -0.466 -8.967 365 HA3 GLY 57 HA1 GLY 57 4.899 1.127 -8.450 366 H LEU 58 HN LEU 58 2.621 -0.241 -6.360 367 HA LEU 58 HA LEU 58 4.636 -0.582 -4.321 368 HB2 LEU 58 HB2 LEU 58 1.670 -0.494 -4.369 369 HB3 LEU 58 HB1 LEU 58 2.430 -1.367 -3.054 370 HG LEU 58 HG LEU 58 3.769 0.747 -2.622 371 HD11 LEU 58 HD11 LEU 58 1.625 1.931 -4.374 372 HD12 LEU 58 HD12 LEU 58 3.348 1.863 -4.742 373 HD13 LEU 58 HD13 LEU 58 2.773 2.838 -3.390 374 HD21 LEU 58 HD21 LEU 58 2.008 1.708 -1.286 375 HD22 LEU 58 HD22 LEU 58 1.925 -0.053 -1.227 376 HD23 LEU 58 HD23 LEU 58 0.792 0.852 -2.232 377 H SER 59 HN SER 59 4.476 -2.444 -2.846 378 HA SER 59 HA SER 59 3.886 -4.955 -4.253 379 HB2 SER 59 HB2 SER 59 5.886 -4.515 -2.021 380 HB3 SER 59 HB1 SER 59 5.648 -5.999 -2.943 381 HG SER 59 HG SER 59 7.292 -5.090 -3.989 382 H ALA 60 HN ALA 60 3.268 -6.734 -2.665 383 HA ALA 60 HA ALA 60 0.933 -5.960 -1.357 384 HB1 ALA 60 HB1 ALA 60 1.342 -8.223 -2.202 385 HB2 ALA 60 HB2 ALA 60 0.822 -8.234 -0.517 386 HB3 ALA 60 HB3 ALA 60 2.521 -8.482 -0.917 387 H GLU 61 HN GLU 61 4.185 -6.409 -0.113 388 HA GLU 61 HA GLU 61 3.480 -6.396 2.638 389 HB2 GLU 61 HB2 GLU 61 6.117 -5.693 1.340 390 HB3 GLU 61 HB1 GLU 61 5.876 -6.028 3.044 391 HG2 GLU 61 HG2 GLU 61 6.802 -7.978 2.104 392 HG3 GLU 61 HG1 GLU 61 5.098 -8.324 2.375 393 H GLU 62 HN GLU 62 4.372 -3.910 0.337 394 HA GLU 62 HA GLU 62 4.672 -1.786 2.194 395 HB2 GLU 62 HB2 GLU 62 3.761 -1.290 -0.615 396 HB3 GLU 62 HB1 GLU 62 4.921 -0.393 0.349 397 HG2 GLU 62 HG2 GLU 62 5.392 -3.103 -0.861 398 HG3 GLU 62 HG1 GLU 62 5.951 -1.577 -1.533 399 H ILE 63 HN ILE 63 2.038 -2.916 0.148 400 HA ILE 63 HA ILE 63 0.125 -0.963 0.802 401 HB ILE 63 HB ILE 63 -0.325 -3.843 -0.012 402 HG12 ILE 63 HG12 ILE 63 -0.228 -1.358 -1.739 403 HG13 ILE 63 HG11 ILE 63 1.097 -2.507 -1.578 404 HG21 ILE 63 HG21 ILE 63 -2.160 -1.453 -0.112 405 HG22 ILE 63 HG22 ILE 63 -2.341 -2.885 0.902 406 HG23 ILE 63 HG23 ILE 63 -2.498 -3.019 -0.850 407 HD11 ILE 63 HD11 ILE 63 -0.170 -2.882 -3.616 408 HD12 ILE 63 HD12 ILE 63 -1.639 -3.121 -2.669 409 HD13 ILE 63 HD13 ILE 63 -0.301 -4.261 -2.523 410 H CYS 64 HN CYS 64 0.888 -4.100 2.222 411 HA CYS 64 HA CYS 64 -1.163 -4.308 4.086 412 HB2 CYS 64 HB2 CYS 64 0.374 -6.142 3.590 413 HB3 CYS 64 HB1 CYS 64 1.708 -5.244 4.302 414 HG CYS 64 HG CYS 64 -0.982 -5.952 6.252 415 H GLU 65 HN GLU 65 1.981 -2.670 4.360 416 HA GLU 65 HA GLU 65 1.631 -1.924 7.064 417 HB2 GLU 65 HB2 GLU 65 3.852 -1.977 6.161 418 HB3 GLU 65 HB1 GLU 65 3.422 -0.835 4.892 419 HG2 GLU 65 HG2 GLU 65 3.179 0.924 6.449 420 HG3 GLU 65 HG1 GLU 65 3.326 -0.171 7.816 421 H ALA 66 HN ALA 66 1.143 -0.196 3.996 422 HA ALA 66 HA ALA 66 0.443 2.289 5.008 423 HB1 ALA 66 HB1 ALA 66 -0.611 0.964 2.514 424 HB2 ALA 66 HB2 ALA 66 0.883 1.893 2.642 425 HB3 ALA 66 HB3 ALA 66 -0.675 2.691 2.871 426 H PHE 67 HN PHE 67 -1.653 -0.487 4.281 427 HA PHE 67 HA PHE 67 -4.089 0.692 4.934 428 HB2 PHE 67 HB2 PHE 67 -3.071 -2.053 4.660 429 HB3 PHE 67 HB1 PHE 67 -4.470 -1.892 5.715 430 HD1 PHE 67 HD1 PHE 67 -3.249 -1.627 2.284 431 HD2 PHE 67 HD2 PHE 67 -6.595 -1.141 4.856 432 HE1 PHE 67 HE1 PHE 67 -4.739 -1.540 0.325 433 HE2 PHE 67 HE2 PHE 67 -8.090 -1.056 2.911 434 HZ PHE 67 HZ PHE 67 -7.168 -1.253 0.639 435 H THR 68 HN THR 68 -1.720 -0.908 7.017 436 HA THR 68 HA THR 68 -3.342 -0.865 9.333 437 HB THR 68 HB THR 68 -0.333 -0.919 9.245 438 HG1 THR 68 HG1 THR 68 -1.035 -2.630 7.985 439 HG21 THR 68 HG21 THR 68 -2.295 -1.999 11.278 440 HG22 THR 68 HG22 THR 68 -1.333 -0.532 11.468 441 HG23 THR 68 HG23 THR 68 -0.535 -2.101 11.373 442 H LYS 69 HN LYS 69 -1.151 1.398 7.878 443 HA LYS 69 HA LYS 69 -0.927 3.121 10.120 444 HB2 LYS 69 HB2 LYS 69 -0.497 3.736 7.202 445 HB3 LYS 69 HB1 LYS 69 0.143 4.638 8.572 446 HG2 LYS 69 HG2 LYS 69 1.307 2.482 9.240 447 HG3 LYS 69 HG1 LYS 69 0.870 1.884 7.647 448 HD2 LYS 69 HD2 LYS 69 3.132 2.767 7.607 449 HD3 LYS 69 HD1 LYS 69 2.067 3.742 6.594 450 HE2 LYS 69 HE2 LYS 69 3.485 5.214 7.833 451 HE3 LYS 69 HE1 LYS 69 1.853 5.345 8.479 452 HZ1 LYS 69 HZ1 LYS 69 2.551 3.764 10.243 453 HZ2 LYS 69 HZ2 LYS 69 3.360 5.245 10.293 454 HZ3 LYS 69 HZ3 LYS 69 4.138 3.880 9.670 455 H VAL 70 HN VAL 70 -3.166 2.888 7.431 456 HA VAL 70 HA VAL 70 -4.355 5.461 7.993 457 HB VAL 70 HB VAL 70 -5.887 5.035 6.209 458 HG11 VAL 70 HG11 VAL 70 -3.059 4.198 5.694 459 HG12 VAL 70 HG12 VAL 70 -3.849 5.735 5.336 460 HG13 VAL 70 HG13 VAL 70 -4.232 4.302 4.388 461 HG21 VAL 70 HG21 VAL 70 -6.476 2.718 6.707 462 HG22 VAL 70 HG22 VAL 70 -4.879 2.189 6.172 463 HG23 VAL 70 HG23 VAL 70 -6.006 2.900 5.017 464 H GLY 71 HN GLY 71 -4.531 2.511 9.466 465 HA2 GLY 71 HA2 GLY 71 -5.820 2.292 11.465 466 HA3 GLY 71 HA1 GLY 71 -7.065 3.291 10.732 467 H GLN 72 HN GLN 72 -5.754 0.902 8.684 468 HA GLN 72 HA GLN 72 -8.001 -0.907 9.282 469 HB2 GLN 72 HB2 GLN 72 -8.391 0.346 7.186 470 HB3 GLN 72 HB1 GLN 72 -6.849 -0.223 6.566 471 HG2 GLN 72 HG2 GLN 72 -8.387 -1.618 5.546 472 HG3 GLN 72 HG1 GLN 72 -7.819 -2.579 6.910 473 HE21 GLN 72 HE21 GLN 72 -10.437 -0.773 5.560 474 HE22 GLN 72 HE22 GLN 72 -11.663 -1.338 6.642 475 HA PRO 73 HA PRO 73 -4.072 -3.172 9.751 476 HB2 PRO 73 HB2 PRO 73 -5.008 -4.968 11.565 477 HB3 PRO 73 HB1 PRO 73 -4.418 -3.362 12.001 478 HG2 PRO 73 HG2 PRO 73 -7.213 -4.345 11.727 479 HG3 PRO 73 HG1 PRO 73 -6.540 -3.187 12.884 480 HD2 PRO 73 HD2 PRO 73 -7.990 -2.486 10.662 481 HD3 PRO 73 HD1 PRO 73 -6.804 -1.427 11.447 482 H LYS 74 HN LYS 74 -3.964 -4.130 7.802 483 HA LYS 74 HA LYS 74 -5.567 -6.545 7.350 484 HB2 LYS 74 HB2 LYS 74 -4.177 -4.652 5.472 485 HB3 LYS 74 HB1 LYS 74 -4.617 -6.274 4.959 486 HG2 LYS 74 HG2 LYS 74 -6.549 -4.220 6.016 487 HG3 LYS 74 HG1 LYS 74 -6.268 -4.568 4.308 488 HD2 LYS 74 HD2 LYS 74 -6.938 -6.920 4.731 489 HD3 LYS 74 HD1 LYS 74 -7.329 -6.475 6.392 490 HE2 LYS 74 HE2 LYS 74 -8.979 -4.870 5.570 491 HE3 LYS 74 HE1 LYS 74 -8.593 -5.323 3.910 492 HZ1 LYS 74 HZ1 LYS 74 -9.267 -7.634 4.518 493 HZ2 LYS 74 HZ2 LYS 74 -10.529 -6.504 4.541 494 HZ3 LYS 74 HZ3 LYS 74 -9.838 -7.027 5.994 495 H THR 75 HN THR 75 -4.564 -8.472 6.816 496 HA THR 75 HA THR 75 -1.797 -8.726 7.627 497 HB THR 75 HB THR 75 -2.154 -11.158 7.173 498 HG1 THR 75 HG1 THR 75 -4.845 -11.095 7.041 499 HG21 THR 75 HG21 THR 75 -3.720 -11.544 9.026 500 HG22 THR 75 HG22 THR 75 -4.220 -9.855 8.945 501 HG23 THR 75 HG23 THR 75 -2.567 -10.264 9.403 502 H LEU 76 HN LEU 76 -0.254 -9.901 6.245 503 HA LEU 76 HA LEU 76 -0.030 -8.778 3.671 504 HB2 LEU 76 HB2 LEU 76 1.891 -9.534 5.008 505 HB3 LEU 76 HB1 LEU 76 1.350 -11.193 4.856 506 HG LEU 76 HG LEU 76 1.731 -11.091 2.427 507 HD11 LEU 76 HD11 LEU 76 1.366 -8.728 2.057 508 HD12 LEU 76 HD12 LEU 76 2.975 -9.181 1.495 509 HD13 LEU 76 HD13 LEU 76 2.782 -8.332 3.028 510 HD21 LEU 76 HD21 LEU 76 4.183 -11.032 2.518 511 HD22 LEU 76 HD22 LEU 76 3.496 -11.922 3.876 512 HD23 LEU 76 HD23 LEU 76 4.098 -10.280 4.111 513 H ASN 77 HN ASN 77 -1.322 -11.769 4.887 514 HA ASN 77 HA ASN 77 -1.633 -13.176 2.480 515 HB2 ASN 77 HB2 ASN 77 -1.904 -14.156 4.751 516 HB3 ASN 77 HB1 ASN 77 -3.407 -13.262 4.934 517 HD21 ASN 77 HD21 ASN 77 -1.839 -15.940 3.399 518 HD22 ASN 77 HD22 ASN 77 -3.268 -16.681 2.769 519 H GLU 78 HN GLU 78 -3.752 -10.897 4.168 520 HA GLU 78 HA GLU 78 -5.991 -11.019 2.517 521 HB2 GLU 78 HB2 GLU 78 -4.779 -8.768 4.106 522 HB3 GLU 78 HB1 GLU 78 -6.231 -8.523 3.148 523 HG2 GLU 78 HG2 GLU 78 -6.012 -10.650 5.245 524 HG3 GLU 78 HG1 GLU 78 -6.553 -9.011 5.595 525 H ILE 79 HN ILE 79 -3.106 -8.982 2.240 526 HA ILE 79 HA ILE 79 -4.018 -7.478 0.053 527 HB ILE 79 HB ILE 79 -1.139 -8.046 0.757 528 HG12 ILE 79 HG12 ILE 79 -2.325 -7.222 2.729 529 HG13 ILE 79 HG11 ILE 79 -1.259 -5.971 2.101 530 HG21 ILE 79 HG21 ILE 79 -2.431 -5.751 -0.713 531 HG22 ILE 79 HG22 ILE 79 -1.432 -7.018 -1.427 532 HG23 ILE 79 HG23 ILE 79 -0.723 -5.869 -0.294 533 HD11 ILE 79 HD11 ILE 79 -3.188 -4.893 1.031 534 HD12 ILE 79 HD12 ILE 79 -3.369 -5.022 2.781 535 HD13 ILE 79 HD13 ILE 79 -4.241 -6.130 1.721 536 H LYS 80 HN LYS 80 -1.858 -10.302 0.182 537 HA LYS 80 HA LYS 80 -1.431 -10.443 -2.604 538 HB2 LYS 80 HB2 LYS 80 -1.265 -12.664 -0.558 539 HB3 LYS 80 HB1 LYS 80 -0.595 -12.715 -2.185 540 HG2 LYS 80 HG2 LYS 80 0.766 -10.683 -1.531 541 HG3 LYS 80 HG1 LYS 80 0.265 -11.009 0.129 542 HD2 LYS 80 HD2 LYS 80 1.260 -13.233 0.004 543 HD3 LYS 80 HD1 LYS 80 1.736 -12.939 -1.669 544 HE2 LYS 80 HE2 LYS 80 2.665 -11.282 0.673 545 HE3 LYS 80 HE1 LYS 80 3.571 -12.634 0.002 546 HZ1 LYS 80 HZ1 LYS 80 4.222 -10.360 -0.800 547 HZ2 LYS 80 HZ2 LYS 80 2.745 -10.307 -1.630 548 HZ3 LYS 80 HZ3 LYS 80 3.882 -11.492 -2.013 549 H ARG 81 HN ARG 81 -3.828 -11.934 -0.491 550 HA ARG 81 HA ARG 81 -5.017 -13.607 -2.429 551 HB2 ARG 81 HB2 ARG 81 -5.463 -13.963 -0.083 552 HB3 ARG 81 HB1 ARG 81 -6.171 -12.361 0.070 553 HG2 ARG 81 HG2 ARG 81 -7.892 -14.069 0.015 554 HG3 ARG 81 HG1 ARG 81 -8.005 -13.026 -1.401 555 HD2 ARG 81 HD2 ARG 81 -8.314 -15.378 -1.994 556 HD3 ARG 81 HD1 ARG 81 -6.870 -14.705 -2.749 557 HE ARG 81 HE ARG 81 -6.476 -16.104 -0.234 558 HH11 ARG 81 HH11 ARG 81 -6.422 -16.286 -3.733 559 HH12 ARG 81 HH12 ARG 81 -5.377 -17.670 -3.766 560 HH21 ARG 81 HH21 ARG 81 -5.117 -17.917 -0.277 561 HH22 ARG 81 HH22 ARG 81 -4.634 -18.600 -1.797 562 H ILE 82 HN ILE 82 -5.774 -10.310 -1.382 563 HA ILE 82 HA ILE 82 -8.042 -9.945 -3.005 564 HB ILE 82 HB ILE 82 -6.088 -7.939 -1.875 565 HG12 ILE 82 HG12 ILE 82 -8.889 -8.661 -0.983 566 HG13 ILE 82 HG11 ILE 82 -7.431 -9.361 -0.288 567 HG21 ILE 82 HG21 ILE 82 -8.786 -7.435 -3.133 568 HG22 ILE 82 HG22 ILE 82 -7.222 -6.960 -3.798 569 HG23 ILE 82 HG23 ILE 82 -7.799 -6.233 -2.298 570 HD11 ILE 82 HD11 ILE 82 -8.289 -7.592 1.116 571 HD12 ILE 82 HD12 ILE 82 -8.210 -6.455 -0.230 572 HD13 ILE 82 HD13 ILE 82 -6.726 -7.132 0.441 573 H LEU 83 HN LEU 83 -4.607 -9.560 -3.635 574 HA LEU 83 HA LEU 83 -4.960 -8.270 -6.177 575 HB2 LEU 83 HB2 LEU 83 -2.585 -9.583 -4.866 576 HB3 LEU 83 HB1 LEU 83 -2.510 -8.827 -6.444 577 HG LEU 83 HG LEU 83 -3.280 -7.377 -3.913 578 HD11 LEU 83 HD11 LEU 83 -0.646 -7.445 -5.382 579 HD12 LEU 83 HD12 LEU 83 -0.969 -8.132 -3.790 580 HD13 LEU 83 HD13 LEU 83 -1.044 -6.386 -4.028 581 HD21 LEU 83 HD21 LEU 83 -2.884 -5.377 -5.286 582 HD22 LEU 83 HD22 LEU 83 -4.190 -6.372 -5.925 583 HD23 LEU 83 HD23 LEU 83 -2.601 -6.408 -6.687 584 H SER 84 HN SER 84 -5.024 -11.510 -5.070 585 HA SER 84 HA SER 84 -4.354 -12.642 -7.656 586 HB2 SER 84 HB2 SER 84 -5.286 -13.991 -5.108 587 HB3 SER 84 HB1 SER 84 -4.685 -14.815 -6.549 588 HG SER 84 HG SER 84 -3.190 -12.906 -5.058 Start of MODEL 12 1 H1 LYS 15 HT1 LYS 15 18.730 -13.730 -0.747 2 H2 LYS 15 HT2 LYS 15 17.737 -14.212 -2.027 3 H3 LYS 15 HT3 LYS 15 17.083 -13.992 -0.484 4 HA LYS 15 HA LYS 15 18.285 -11.859 -2.139 5 HB2 LYS 15 HB2 LYS 15 15.381 -12.449 -1.512 6 HB3 LYS 15 HB1 LYS 15 15.964 -11.021 -2.353 7 HG2 LYS 15 HG2 LYS 15 16.277 -13.854 -3.327 8 HG3 LYS 15 HG1 LYS 15 15.046 -12.717 -3.875 9 HD2 LYS 15 HD2 LYS 15 18.031 -12.348 -4.146 10 HD3 LYS 15 HD1 LYS 15 16.936 -12.842 -5.436 11 HE2 LYS 15 HE2 LYS 15 16.933 -10.208 -3.966 12 HE3 LYS 15 HE1 LYS 15 17.413 -10.484 -5.639 13 HZ1 LYS 15 HZ1 LYS 15 15.175 -11.033 -6.209 14 HZ2 LYS 15 HZ2 LYS 15 15.149 -9.557 -5.372 15 HZ3 LYS 15 HZ3 LYS 15 14.683 -10.982 -4.592 16 HA PRO 16 HA PRO 16 18.506 -9.869 1.795 17 HB2 PRO 16 HB2 PRO 16 19.185 -7.401 1.006 18 HB3 PRO 16 HB1 PRO 16 20.293 -8.765 0.824 19 HG2 PRO 16 HG2 PRO 16 18.553 -7.450 -1.219 20 HG3 PRO 16 HG1 PRO 16 20.215 -8.043 -1.379 21 HD2 PRO 16 HD2 PRO 16 17.975 -9.416 -2.222 22 HD3 PRO 16 HD1 PRO 16 19.529 -10.174 -1.828 23 H GLU 17 HN GLU 17 17.587 -8.093 3.017 24 HA GLU 17 HA GLU 17 14.825 -7.562 2.258 25 HB2 GLU 17 HB2 GLU 17 16.260 -6.901 4.833 26 HB3 GLU 17 HB1 GLU 17 14.523 -6.906 4.569 27 HG2 GLU 17 HG2 GLU 17 16.284 -9.339 4.404 28 HG3 GLU 17 HG1 GLU 17 15.351 -8.867 5.821 29 H VAL 18 HN VAL 18 17.352 -6.237 1.224 30 HA VAL 18 HA VAL 18 16.912 -3.462 2.041 31 HB VAL 18 HB VAL 18 19.135 -4.488 0.277 32 HG11 VAL 18 HG11 VAL 18 18.910 -2.030 2.012 33 HG12 VAL 18 HG12 VAL 18 18.788 -2.075 0.254 34 HG13 VAL 18 HG13 VAL 18 20.311 -2.485 1.042 35 HG21 VAL 18 HG21 VAL 18 19.203 -5.746 2.357 36 HG22 VAL 18 HG22 VAL 18 19.136 -4.247 3.283 37 HG23 VAL 18 HG23 VAL 18 20.543 -4.602 2.281 38 H GLU 19 HN GLU 19 15.950 -5.594 -0.332 39 HA GLU 19 HA GLU 19 16.087 -4.118 -2.700 40 HB2 GLU 19 HB2 GLU 19 13.907 -6.022 -1.817 41 HB3 GLU 19 HB1 GLU 19 14.162 -5.461 -3.463 42 HG2 GLU 19 HG2 GLU 19 16.457 -6.485 -3.335 43 HG3 GLU 19 HG1 GLU 19 15.943 -7.234 -1.823 44 H HIS 20 HN HIS 20 15.076 -2.356 -3.403 45 HA HIS 20 HA HIS 20 13.915 -0.410 -3.334 46 HB2 HIS 20 HB2 HIS 20 11.902 -1.867 -1.599 47 HB3 HIS 20 HB1 HIS 20 11.638 -0.368 -2.480 48 HD1 HIS 20 HD1 HIS 20 10.688 -3.694 -2.698 49 HD2 HIS 20 HD2 HIS 20 12.311 -1.047 -5.461 50 HE1 HIS 20 HE1 HIS 20 10.106 -4.632 -4.954 51 HE2 HIS 20 HE2 HIS 20 11.319 -3.149 -6.590 52 H THR 21 HN THR 21 15.201 0.933 -2.253 53 HA THR 21 HA THR 21 16.090 0.560 0.373 54 HB THR 21 HB THR 21 16.849 2.965 0.206 55 HG1 THR 21 HG1 THR 21 15.755 2.719 -2.430 56 HG21 THR 21 HG21 THR 21 18.269 1.089 -0.497 57 HG22 THR 21 HG22 THR 21 18.516 2.503 -1.520 58 HG23 THR 21 HG23 THR 21 17.549 1.151 -2.107 59 H HIS 22 HN HIS 22 15.890 2.444 2.042 60 HA HIS 22 HA HIS 22 13.345 2.186 3.151 61 HB2 HIS 22 HB2 HIS 22 15.501 4.206 3.744 62 HB3 HIS 22 HB1 HIS 22 14.046 4.026 4.706 63 HD1 HIS 22 HD1 HIS 22 17.397 3.175 4.935 64 HD2 HIS 22 HD2 HIS 22 13.897 0.990 5.430 65 HE1 HIS 22 HE1 HIS 22 18.025 1.212 6.372 66 HE2 HIS 22 HE2 HIS 22 15.863 -0.013 6.782 67 H SER 23 HN SER 23 14.762 4.906 1.353 68 HA SER 23 HA SER 23 12.509 6.598 1.695 69 HB2 SER 23 HB2 SER 23 14.632 6.694 -0.463 70 HB3 SER 23 HB1 SER 23 13.556 8.012 0.009 71 HG SER 23 HG SER 23 14.527 7.894 2.116 72 H GLU 24 HN GLU 24 13.357 4.161 -0.694 73 HA GLU 24 HA GLU 24 11.344 4.899 -2.576 74 HB2 GLU 24 HB2 GLU 24 12.822 2.292 -2.181 75 HB3 GLU 24 HB1 GLU 24 11.750 2.631 -3.530 76 HG2 GLU 24 HG2 GLU 24 13.204 4.440 -4.251 77 HG3 GLU 24 HG1 GLU 24 14.277 4.124 -2.886 78 H ARG 25 HN ARG 25 11.565 2.377 -0.079 79 HA ARG 25 HA ARG 25 8.938 1.413 -0.558 80 HB2 ARG 25 HB2 ARG 25 9.196 0.122 1.481 81 HB3 ARG 25 HB1 ARG 25 10.657 0.023 0.514 82 HG2 ARG 25 HG2 ARG 25 11.703 1.704 1.982 83 HG3 ARG 25 HG1 ARG 25 10.244 1.704 2.974 84 HD2 ARG 25 HD2 ARG 25 12.012 0.263 3.905 85 HD3 ARG 25 HD1 ARG 25 10.551 -0.634 3.497 86 HE ARG 25 HE ARG 25 12.454 -0.663 1.363 87 HH11 ARG 25 HH11 ARG 25 11.666 -2.143 4.437 88 HH12 ARG 25 HH12 ARG 25 12.481 -3.630 4.073 89 HH21 ARG 25 HH21 ARG 25 13.510 -2.633 0.877 90 HH22 ARG 25 HH22 ARG 25 13.523 -3.910 2.060 91 H GLU 26 HN GLU 26 10.304 3.771 1.702 92 HA GLU 26 HA GLU 26 7.995 4.168 3.236 93 HB2 GLU 26 HB2 GLU 26 10.159 4.961 3.979 94 HB3 GLU 26 HB1 GLU 26 10.264 6.061 2.612 95 HG2 GLU 26 HG2 GLU 26 8.402 7.329 3.457 96 HG3 GLU 26 HG1 GLU 26 8.210 6.209 4.802 97 H LYS 27 HN LYS 27 9.100 5.762 0.253 98 HA LYS 27 HA LYS 27 7.004 7.685 0.276 99 HB2 LYS 27 HB2 LYS 27 7.696 8.290 -1.951 100 HB3 LYS 27 HB1 LYS 27 9.118 8.044 -0.953 101 HG2 LYS 27 HG2 LYS 27 9.440 5.840 -1.953 102 HG3 LYS 27 HG1 LYS 27 8.012 6.091 -2.957 103 HD2 LYS 27 HD2 LYS 27 10.493 7.811 -2.995 104 HD3 LYS 27 HD1 LYS 27 10.116 6.545 -4.164 105 HE2 LYS 27 HE2 LYS 27 8.059 7.759 -4.773 106 HE3 LYS 27 HE1 LYS 27 8.502 9.039 -3.648 107 HZ1 LYS 27 HZ1 LYS 27 9.129 9.640 -5.870 108 HZ2 LYS 27 HZ2 LYS 27 10.019 8.219 -6.058 109 HZ3 LYS 27 HZ3 LYS 27 10.529 9.391 -4.953 110 H ARG 28 HN ARG 28 7.336 4.468 -1.131 111 HA ARG 28 HA ARG 28 4.987 4.557 -2.703 112 HB2 ARG 28 HB2 ARG 28 6.376 2.202 -1.412 113 HB3 ARG 28 HB1 ARG 28 5.028 2.062 -2.526 114 HG2 ARG 28 HG2 ARG 28 6.468 3.350 -4.179 115 HG3 ARG 28 HG1 ARG 28 7.808 3.014 -3.081 116 HD2 ARG 28 HD2 ARG 28 6.038 0.980 -4.432 117 HD3 ARG 28 HD1 ARG 28 7.710 1.345 -4.844 118 HE ARG 28 HE ARG 28 7.589 0.590 -2.139 119 HH11 ARG 28 HH11 ARG 28 7.161 -0.821 -5.321 120 HH12 ARG 28 HH12 ARG 28 7.641 -2.411 -4.818 121 HH21 ARG 28 HH21 ARG 28 8.227 -1.481 -1.478 122 HH22 ARG 28 HH22 ARG 28 8.248 -2.792 -2.626 123 H VAL 29 HN VAL 29 5.593 3.364 0.583 124 HA VAL 29 HA VAL 29 2.943 2.707 1.219 125 HB VAL 29 HB VAL 29 5.150 3.663 3.058 126 HG11 VAL 29 HG11 VAL 29 2.588 2.211 3.715 127 HG12 VAL 29 HG12 VAL 29 2.969 3.884 4.123 128 HG13 VAL 29 HG13 VAL 29 3.890 2.567 4.850 129 HG21 VAL 29 HG21 VAL 29 5.773 1.668 1.824 130 HG22 VAL 29 HG22 VAL 29 4.267 0.881 2.296 131 HG23 VAL 29 HG23 VAL 29 5.479 1.269 3.517 132 H SER 30 HN SER 30 4.748 5.730 1.542 133 HA SER 30 HA SER 30 2.839 7.227 2.923 134 HB2 SER 30 HB2 SER 30 5.236 7.864 2.466 135 HB3 SER 30 HB1 SER 30 4.743 8.298 0.831 136 HG SER 30 HG SER 30 3.976 9.479 3.287 137 H ASN 31 HN ASN 31 3.327 6.846 -0.583 138 HA ASN 31 HA ASN 31 1.261 8.554 -1.426 139 HB2 ASN 31 HB2 ASN 31 2.744 6.287 -2.686 140 HB3 ASN 31 HB1 ASN 31 1.286 6.874 -3.474 141 HD21 ASN 31 HD21 ASN 31 4.559 7.581 -2.604 142 HD22 ASN 31 HD22 ASN 31 4.720 9.011 -3.567 143 H ALA 32 HN ALA 32 1.272 5.194 -0.469 144 HA ALA 32 HA ALA 32 -1.414 4.652 -1.262 145 HB1 ALA 32 HB1 ALA 32 0.191 2.857 -1.059 146 HB2 ALA 32 HB2 ALA 32 -1.149 2.596 0.056 147 HB3 ALA 32 HB3 ALA 32 0.393 3.201 0.657 148 H VAL 33 HN VAL 33 0.139 5.488 1.809 149 HA VAL 33 HA VAL 33 -2.139 5.264 3.434 150 HB VAL 33 HB VAL 33 0.294 7.035 3.764 151 HG11 VAL 33 HG11 VAL 33 -0.305 7.101 6.157 152 HG12 VAL 33 HG12 VAL 33 -1.827 6.294 5.779 153 HG13 VAL 33 HG13 VAL 33 -1.502 7.905 5.139 154 HG21 VAL 33 HG21 VAL 33 0.738 4.615 3.651 155 HG22 VAL 33 HG22 VAL 33 -0.379 4.366 4.995 156 HG23 VAL 33 HG23 VAL 33 1.101 5.295 5.235 157 H GLU 34 HN GLU 34 -0.826 8.026 1.630 158 HA GLU 34 HA GLU 34 -2.777 9.873 2.541 159 HB2 GLU 34 HB2 GLU 34 -1.885 11.387 0.933 160 HB3 GLU 34 HB1 GLU 34 -0.536 10.448 1.553 161 HG2 GLU 34 HG2 GLU 34 -0.502 9.092 -0.430 162 HG3 GLU 34 HG1 GLU 34 -1.937 9.907 -1.049 163 H PHE 35 HN PHE 35 -2.624 7.660 -0.178 164 HA PHE 35 HA PHE 35 -4.941 8.661 -1.511 165 HB2 PHE 35 HB2 PHE 35 -3.199 7.379 -2.678 166 HB3 PHE 35 HB1 PHE 35 -3.569 5.968 -1.699 167 HD1 PHE 35 HD1 PHE 35 -5.118 8.324 -4.125 168 HD2 PHE 35 HD2 PHE 35 -5.088 4.404 -2.465 169 HE1 PHE 35 HE1 PHE 35 -6.752 7.598 -5.814 170 HE2 PHE 35 HE2 PHE 35 -6.720 3.672 -4.152 171 HZ PHE 35 HZ PHE 35 -7.556 5.271 -5.828 172 H LEU 36 HN LEU 36 -4.312 6.001 0.722 173 HA LEU 36 HA LEU 36 -6.912 4.915 0.705 174 HB2 LEU 36 HB2 LEU 36 -4.679 4.774 2.698 175 HB3 LEU 36 HB1 LEU 36 -6.173 3.878 2.886 176 HG LEU 36 HG LEU 36 -4.229 3.587 0.592 177 HD11 LEU 36 HD11 LEU 36 -3.332 2.732 2.696 178 HD12 LEU 36 HD12 LEU 36 -3.707 1.421 1.577 179 HD13 LEU 36 HD13 LEU 36 -4.789 1.765 2.927 180 HD21 LEU 36 HD21 LEU 36 -5.594 1.603 0.035 181 HD22 LEU 36 HD22 LEU 36 -6.485 3.116 -0.127 182 HD23 LEU 36 HD23 LEU 36 -6.752 2.082 1.276 183 H LEU 37 HN LEU 37 -5.512 7.583 2.430 184 HA LEU 37 HA LEU 37 -7.624 7.673 4.402 185 HB2 LEU 37 HB2 LEU 37 -5.149 9.238 3.848 186 HB3 LEU 37 HB1 LEU 37 -6.406 9.983 4.816 187 HG LEU 37 HG LEU 37 -5.088 7.348 5.464 188 HD11 LEU 37 HD11 LEU 37 -4.664 10.088 6.654 189 HD12 LEU 37 HD12 LEU 37 -3.509 9.199 5.660 190 HD13 LEU 37 HD13 LEU 37 -3.962 8.584 7.250 191 HD21 LEU 37 HD21 LEU 37 -7.351 7.510 6.303 192 HD22 LEU 37 HD22 LEU 37 -7.013 9.100 6.981 193 HD23 LEU 37 HD23 LEU 37 -6.208 7.672 7.637 194 H ASP 38 HN ASP 38 -7.715 8.338 1.275 195 HA ASP 38 HA ASP 38 -8.927 10.949 1.395 196 HB2 ASP 38 HB2 ASP 38 -7.604 10.258 -0.575 197 HB3 ASP 38 HB1 ASP 38 -8.777 8.994 -0.907 198 H SER 39 HN SER 39 -11.046 11.434 1.336 199 HA SER 39 HA SER 39 -12.923 9.732 2.434 200 HB2 SER 39 HB2 SER 39 -13.151 12.159 2.449 201 HB3 SER 39 HB1 SER 39 -13.367 12.174 0.700 202 HG SER 39 HG SER 39 -15.116 11.264 2.712 203 H ARG 40 HN ARG 40 -12.361 10.449 -1.000 204 HA ARG 40 HA ARG 40 -14.654 9.038 -1.932 205 HB2 ARG 40 HB2 ARG 40 -12.123 9.731 -3.439 206 HB3 ARG 40 HB1 ARG 40 -13.671 9.293 -4.149 207 HG2 ARG 40 HG2 ARG 40 -14.682 11.304 -3.253 208 HG3 ARG 40 HG1 ARG 40 -13.165 11.735 -2.462 209 HD2 ARG 40 HD2 ARG 40 -13.327 13.011 -4.471 210 HD3 ARG 40 HD1 ARG 40 -12.094 11.776 -4.716 211 HE ARG 40 HE ARG 40 -14.631 10.876 -5.619 212 HH11 ARG 40 HH11 ARG 40 -11.929 12.923 -6.490 213 HH12 ARG 40 HH12 ARG 40 -12.266 12.864 -8.190 214 HH21 ARG 40 HH21 ARG 40 -15.084 10.798 -7.849 215 HH22 ARG 40 HH22 ARG 40 -14.059 11.641 -8.967 216 H VAL 41 HN VAL 41 -11.251 8.242 -1.564 217 HA VAL 41 HA VAL 41 -11.365 5.681 -2.761 218 HB VAL 41 HB VAL 41 -9.403 6.776 -0.735 219 HG11 VAL 41 HG11 VAL 41 -9.149 4.408 -2.593 220 HG12 VAL 41 HG12 VAL 41 -9.330 4.333 -0.839 221 HG13 VAL 41 HG13 VAL 41 -7.880 5.045 -1.547 222 HG21 VAL 41 HG21 VAL 41 -9.287 6.674 -3.747 223 HG22 VAL 41 HG22 VAL 41 -8.004 7.250 -2.682 224 HG23 VAL 41 HG23 VAL 41 -9.538 8.117 -2.766 225 H ARG 42 HN ARG 42 -11.848 6.834 0.527 226 HA ARG 42 HA ARG 42 -11.941 4.286 1.759 227 HB2 ARG 42 HB2 ARG 42 -13.190 6.911 2.573 228 HB3 ARG 42 HB1 ARG 42 -13.159 5.476 3.590 229 HG2 ARG 42 HG2 ARG 42 -10.717 5.515 3.570 230 HG3 ARG 42 HG1 ARG 42 -10.752 6.958 2.556 231 HD2 ARG 42 HD2 ARG 42 -10.386 7.594 4.854 232 HD3 ARG 42 HD1 ARG 42 -11.980 8.141 4.335 233 HE ARG 42 HE ARG 42 -12.207 5.609 5.547 234 HH11 ARG 42 HH11 ARG 42 -11.549 8.947 6.361 235 HH12 ARG 42 HH12 ARG 42 -12.172 8.808 7.974 236 HH21 ARG 42 HH21 ARG 42 -13.045 5.430 7.675 237 HH22 ARG 42 HH22 ARG 42 -13.025 6.814 8.719 238 H ARG 43 HN ARG 43 -14.206 5.991 -0.198 239 HA ARG 43 HA ARG 43 -16.498 4.522 0.780 240 HB2 ARG 43 HB2 ARG 43 -16.653 6.883 0.001 241 HB3 ARG 43 HB1 ARG 43 -16.282 6.336 -1.626 242 HG2 ARG 43 HG2 ARG 43 -18.321 5.014 -1.669 243 HG3 ARG 43 HG1 ARG 43 -18.686 5.504 -0.013 244 HD2 ARG 43 HD2 ARG 43 -19.953 6.819 -1.643 245 HD3 ARG 43 HD1 ARG 43 -18.842 7.827 -0.717 246 HE ARG 43 HE ARG 43 -17.612 6.967 -3.110 247 HH11 ARG 43 HH11 ARG 43 -20.063 9.180 -1.955 248 HH12 ARG 43 HH12 ARG 43 -19.846 10.299 -3.262 249 HH21 ARG 43 HH21 ARG 43 -17.308 8.443 -4.817 250 HH22 ARG 43 HH22 ARG 43 -18.287 9.874 -4.894 251 H THR 44 HN THR 44 -14.073 4.103 -1.617 252 HA THR 44 HA THR 44 -15.610 2.170 -3.132 253 HB THR 44 HB THR 44 -13.107 1.754 -4.016 254 HG1 THR 44 HG1 THR 44 -12.375 3.392 -2.416 255 HG21 THR 44 HG21 THR 44 -14.858 4.091 -4.780 256 HG22 THR 44 HG22 THR 44 -15.000 2.441 -5.388 257 HG23 THR 44 HG23 THR 44 -13.573 3.403 -5.771 258 HA PRO 45 HA PRO 45 -14.591 -1.453 -0.855 259 HB2 PRO 45 HB2 PRO 45 -13.963 -3.256 -2.818 260 HB3 PRO 45 HB1 PRO 45 -15.613 -2.774 -2.413 261 HG2 PRO 45 HG2 PRO 45 -13.849 -1.825 -4.629 262 HG3 PRO 45 HG1 PRO 45 -15.587 -2.184 -4.652 263 HD2 PRO 45 HD2 PRO 45 -14.633 0.339 -4.526 264 HD3 PRO 45 HD1 PRO 45 -16.145 -0.142 -3.735 265 H THR 46 HN THR 46 -12.915 -2.852 -0.172 266 HA THR 46 HA THR 46 -10.393 -1.652 -0.035 267 HB THR 46 HB THR 46 -10.660 -4.583 0.403 268 HG1 THR 46 HG1 THR 46 -12.216 -4.366 1.836 269 HG21 THR 46 HG21 THR 46 -9.349 -4.101 2.381 270 HG22 THR 46 HG22 THR 46 -9.522 -2.369 2.111 271 HG23 THR 46 HG23 THR 46 -8.590 -3.350 0.978 272 H SER 47 HN SER 47 -11.620 -4.294 -2.026 273 HA SER 47 HA SER 47 -9.220 -5.239 -3.064 274 HB2 SER 47 HB2 SER 47 -11.856 -5.124 -4.538 275 HB3 SER 47 HB1 SER 47 -10.554 -6.293 -4.761 276 HG SER 47 HG SER 47 -11.470 -7.430 -3.272 277 H SER 48 HN SER 48 -11.344 -2.657 -4.234 278 HA SER 48 HA SER 48 -9.946 -2.048 -6.575 279 HB2 SER 48 HB2 SER 48 -11.625 -0.287 -4.781 280 HB3 SER 48 HB1 SER 48 -11.137 0.099 -6.424 281 HG SER 48 HG SER 48 -12.784 -1.012 -7.078 282 H LYS 49 HN LYS 49 -9.719 -0.738 -3.289 283 HA LYS 49 HA LYS 49 -7.780 1.222 -3.722 284 HB2 LYS 49 HB2 LYS 49 -7.969 -0.522 -1.265 285 HB3 LYS 49 HB1 LYS 49 -7.316 1.104 -1.359 286 HG2 LYS 49 HG2 LYS 49 -9.528 1.995 -1.780 287 HG3 LYS 49 HG1 LYS 49 -10.204 0.362 -1.778 288 HD2 LYS 49 HD2 LYS 49 -9.290 0.128 0.572 289 HD3 LYS 49 HD1 LYS 49 -8.972 1.863 0.526 290 HE2 LYS 49 HE2 LYS 49 -11.348 2.279 0.099 291 HE3 LYS 49 HE1 LYS 49 -11.656 0.542 0.151 292 HZ1 LYS 49 HZ1 LYS 49 -12.213 1.587 2.246 293 HZ2 LYS 49 HZ2 LYS 49 -10.643 2.188 2.404 294 HZ3 LYS 49 HZ3 LYS 49 -10.918 0.525 2.457 295 H VAL 50 HN VAL 50 -7.443 -2.180 -2.836 296 HA VAL 50 HA VAL 50 -4.622 -2.173 -2.603 297 HB VAL 50 HB VAL 50 -6.482 -4.495 -3.152 298 HG11 VAL 50 HG11 VAL 50 -4.205 -5.078 -3.726 299 HG12 VAL 50 HG12 VAL 50 -4.677 -5.892 -2.234 300 HG13 VAL 50 HG13 VAL 50 -3.630 -4.474 -2.174 301 HG21 VAL 50 HG21 VAL 50 -7.024 -3.317 -1.086 302 HG22 VAL 50 HG22 VAL 50 -5.348 -3.459 -0.555 303 HG23 VAL 50 HG23 VAL 50 -6.338 -4.905 -0.745 304 H HIS 51 HN HIS 51 -6.786 -3.026 -5.275 305 HA HIS 51 HA HIS 51 -4.773 -3.964 -7.023 306 HB2 HIS 51 HB2 HIS 51 -7.555 -2.912 -7.502 307 HB3 HIS 51 HB1 HIS 51 -6.513 -3.415 -8.827 308 HD1 HIS 51 HD1 HIS 51 -8.566 -5.170 -9.163 309 HD2 HIS 51 HD2 HIS 51 -6.104 -5.768 -5.867 310 HE1 HIS 51 HE1 HIS 51 -8.962 -7.545 -8.444 311 HE2 HIS 51 HE2 HIS 51 -7.398 -7.919 -6.506 312 H PHE 52 HN PHE 52 -6.119 -0.763 -6.443 313 HA PHE 52 HA PHE 52 -4.855 0.474 -8.669 314 HB2 PHE 52 HB2 PHE 52 -6.866 1.355 -7.407 315 HB3 PHE 52 HB1 PHE 52 -5.756 1.838 -6.128 316 HD1 PHE 52 HD1 PHE 52 -4.465 3.803 -6.308 317 HD2 PHE 52 HD2 PHE 52 -6.660 2.381 -9.659 318 HE1 PHE 52 HE1 PHE 52 -4.036 5.919 -7.485 319 HE2 PHE 52 HE2 PHE 52 -6.234 4.491 -10.846 320 HZ PHE 52 HZ PHE 52 -4.919 6.266 -9.757 321 H LEU 53 HN LEU 53 -4.026 0.183 -5.232 322 HA LEU 53 HA LEU 53 -1.669 1.730 -5.325 323 HB2 LEU 53 HB2 LEU 53 -2.373 -0.572 -3.503 324 HB3 LEU 53 HB1 LEU 53 -1.059 0.557 -3.238 325 HG LEU 53 HG LEU 53 -3.999 1.244 -3.262 326 HD11 LEU 53 HD11 LEU 53 -3.607 1.727 -0.869 327 HD12 LEU 53 HD12 LEU 53 -1.994 1.033 -1.028 328 HD13 LEU 53 HD13 LEU 53 -3.417 0.024 -1.283 329 HD21 LEU 53 HD21 LEU 53 -1.559 2.956 -2.830 330 HD22 LEU 53 HD22 LEU 53 -3.204 3.453 -2.438 331 HD23 LEU 53 HD23 LEU 53 -2.761 3.111 -4.112 332 H LYS 54 HN LYS 54 -2.287 -1.666 -5.970 333 HA LYS 54 HA LYS 54 0.359 -2.529 -6.278 334 HB2 LYS 54 HB2 LYS 54 -1.376 -4.149 -6.173 335 HB3 LYS 54 HB1 LYS 54 -2.237 -3.419 -7.511 336 HG2 LYS 54 HG2 LYS 54 0.484 -4.538 -7.986 337 HG3 LYS 54 HG1 LYS 54 -0.881 -5.640 -7.820 338 HD2 LYS 54 HD2 LYS 54 -0.689 -3.364 -9.799 339 HD3 LYS 54 HD1 LYS 54 -0.427 -5.069 -10.170 340 HE2 LYS 54 HE2 LYS 54 -2.721 -5.582 -9.595 341 HE3 LYS 54 HE1 LYS 54 -3.001 -3.919 -9.092 342 HZ1 LYS 54 HZ1 LYS 54 -3.872 -4.321 -11.293 343 HZ2 LYS 54 HZ2 LYS 54 -2.348 -4.804 -11.845 344 HZ3 LYS 54 HZ3 LYS 54 -2.606 -3.200 -11.363 345 H SER 55 HN SER 55 -1.883 -1.043 -8.582 346 HA SER 55 HA SER 55 -0.141 -1.193 -10.805 347 HB2 SER 55 HB2 SER 55 -2.507 0.625 -10.301 348 HB3 SER 55 HB1 SER 55 -1.754 0.321 -11.863 349 HG SER 55 HG SER 55 -3.722 -0.972 -11.093 350 H LYS 56 HN LYS 56 -0.204 0.826 -8.069 351 HA LYS 56 HA LYS 56 1.184 3.050 -9.239 352 HB2 LYS 56 HB2 LYS 56 0.593 2.178 -6.424 353 HB3 LYS 56 HB1 LYS 56 1.658 3.527 -6.751 354 HG2 LYS 56 HG2 LYS 56 -0.159 4.667 -7.934 355 HG3 LYS 56 HG1 LYS 56 -1.228 3.312 -7.564 356 HD2 LYS 56 HD2 LYS 56 -0.957 3.716 -5.185 357 HD3 LYS 56 HD1 LYS 56 0.186 5.017 -5.515 358 HE2 LYS 56 HE2 LYS 56 -2.684 4.991 -6.421 359 HE3 LYS 56 HE1 LYS 56 -2.107 5.802 -4.968 360 HZ1 LYS 56 HZ1 LYS 56 -0.696 7.192 -6.337 361 HZ2 LYS 56 HZ2 LYS 56 -2.301 7.324 -6.841 362 HZ3 LYS 56 HZ3 LYS 56 -1.211 6.399 -7.738 363 H GLY 57 HN GLY 57 2.038 -0.089 -8.511 364 HA2 GLY 57 HA2 GLY 57 4.181 -0.986 -8.915 365 HA3 GLY 57 HA1 GLY 57 4.878 0.601 -8.623 366 H LEU 58 HN LEU 58 2.524 -0.520 -6.386 367 HA LEU 58 HA LEU 58 4.547 -0.677 -4.316 368 HB2 LEU 58 HB2 LEU 58 1.594 -0.466 -4.376 369 HB3 LEU 58 HB1 LEU 58 2.297 -1.294 -3.001 370 HG LEU 58 HG LEU 58 3.749 0.771 -2.690 371 HD11 LEU 58 HD11 LEU 58 1.680 1.950 -4.531 372 HD12 LEU 58 HD12 LEU 58 3.401 1.777 -4.875 373 HD13 LEU 58 HD13 LEU 58 2.861 2.858 -3.589 374 HD21 LEU 58 HD21 LEU 58 1.999 1.928 -1.463 375 HD22 LEU 58 HD22 LEU 58 1.901 0.181 -1.235 376 HD23 LEU 58 HD23 LEU 58 0.774 0.994 -2.322 377 H SER 59 HN SER 59 4.788 -2.430 -2.910 378 HA SER 59 HA SER 59 4.198 -5.026 -4.085 379 HB2 SER 59 HB2 SER 59 5.795 -4.391 -1.597 380 HB3 SER 59 HB1 SER 59 5.807 -5.898 -2.511 381 HG SER 59 HG SER 59 6.639 -4.618 -4.300 382 H ALA 60 HN ALA 60 3.349 -6.748 -2.600 383 HA ALA 60 HA ALA 60 0.894 -6.004 -1.489 384 HB1 ALA 60 HB1 ALA 60 1.411 -8.274 -2.271 385 HB2 ALA 60 HB2 ALA 60 0.775 -8.280 -0.626 386 HB3 ALA 60 HB3 ALA 60 2.505 -8.492 -0.905 387 H GLU 61 HN GLU 61 4.050 -6.397 -0.054 388 HA GLU 61 HA GLU 61 3.251 -6.324 2.660 389 HB2 GLU 61 HB2 GLU 61 5.903 -5.579 1.408 390 HB3 GLU 61 HB1 GLU 61 5.631 -5.867 3.119 391 HG2 GLU 61 HG2 GLU 61 6.654 -7.805 2.193 392 HG3 GLU 61 HG1 GLU 61 4.980 -8.201 2.569 393 H GLU 62 HN GLU 62 4.192 -3.859 0.345 394 HA GLU 62 HA GLU 62 4.352 -1.673 2.134 395 HB2 GLU 62 HB2 GLU 62 3.551 -1.513 -0.771 396 HB3 GLU 62 HB1 GLU 62 4.379 -0.293 0.188 397 HG2 GLU 62 HG2 GLU 62 5.569 -2.967 -0.448 398 HG3 GLU 62 HG1 GLU 62 5.785 -1.548 -1.467 399 H ILE 63 HN ILE 63 1.796 -2.926 0.059 400 HA ILE 63 HA ILE 63 -0.173 -1.013 0.640 401 HB ILE 63 HB ILE 63 -0.533 -3.915 -0.130 402 HG12 ILE 63 HG12 ILE 63 -0.469 -1.456 -1.894 403 HG13 ILE 63 HG11 ILE 63 0.895 -2.546 -1.674 404 HG21 ILE 63 HG21 ILE 63 -2.419 -1.572 -0.301 405 HG22 ILE 63 HG22 ILE 63 -2.593 -2.999 0.720 406 HG23 ILE 63 HG23 ILE 63 -2.704 -3.149 -1.032 407 HD11 ILE 63 HD11 ILE 63 -0.283 -3.012 -3.739 408 HD12 ILE 63 HD12 ILE 63 -1.779 -3.276 -2.844 409 HD13 ILE 63 HD13 ILE 63 -0.413 -4.370 -2.624 410 H CYS 64 HN CYS 64 0.562 -4.148 2.104 411 HA CYS 64 HA CYS 64 -1.446 -4.254 4.029 412 HB2 CYS 64 HB2 CYS 64 -0.031 -6.161 3.560 413 HB3 CYS 64 HB1 CYS 64 1.397 -5.287 4.098 414 HG CYS 64 HG CYS 64 -1.154 -5.900 6.275 415 H GLU 65 HN GLU 65 1.764 -2.760 4.166 416 HA GLU 65 HA GLU 65 1.600 -1.929 6.858 417 HB2 GLU 65 HB2 GLU 65 3.743 -2.120 5.844 418 HB3 GLU 65 HB1 GLU 65 3.288 -1.054 4.522 419 HG2 GLU 65 HG2 GLU 65 3.233 0.828 5.986 420 HG3 GLU 65 HG1 GLU 65 3.523 -0.196 7.389 421 H ALA 66 HN ALA 66 1.010 -0.245 3.788 422 HA ALA 66 HA ALA 66 0.426 2.279 4.804 423 HB1 ALA 66 HB1 ALA 66 -0.747 2.687 2.703 424 HB2 ALA 66 HB2 ALA 66 -0.750 0.955 2.366 425 HB3 ALA 66 HB3 ALA 66 0.776 1.837 2.430 426 H PHE 67 HN PHE 67 -1.790 -0.414 4.110 427 HA PHE 67 HA PHE 67 -4.159 0.833 4.858 428 HB2 PHE 67 HB2 PHE 67 -3.239 -1.962 4.578 429 HB3 PHE 67 HB1 PHE 67 -4.664 -1.718 5.582 430 HD1 PHE 67 HD1 PHE 67 -3.320 -1.645 2.209 431 HD2 PHE 67 HD2 PHE 67 -6.700 -0.773 4.634 432 HE1 PHE 67 HE1 PHE 67 -4.728 -1.510 0.194 433 HE2 PHE 67 HE2 PHE 67 -8.113 -0.635 2.630 434 HZ PHE 67 HZ PHE 67 -7.128 -1.007 0.408 435 H THR 68 HN THR 68 -1.834 -0.956 6.833 436 HA THR 68 HA THR 68 -3.379 -0.885 9.191 437 HB THR 68 HB THR 68 -0.375 -1.057 9.049 438 HG1 THR 68 HG1 THR 68 -1.146 -2.674 7.706 439 HG21 THR 68 HG21 THR 68 -2.377 -2.136 11.037 440 HG22 THR 68 HG22 THR 68 -1.318 -0.747 11.290 441 HG23 THR 68 HG23 THR 68 -0.626 -2.359 11.106 442 H LYS 69 HN LYS 69 -1.104 1.352 7.753 443 HA LYS 69 HA LYS 69 -0.854 3.031 10.034 444 HB2 LYS 69 HB2 LYS 69 -0.373 3.613 7.111 445 HB3 LYS 69 HB1 LYS 69 0.075 4.687 8.434 446 HG2 LYS 69 HG2 LYS 69 1.210 2.291 9.162 447 HG3 LYS 69 HG1 LYS 69 1.415 2.319 7.412 448 HD2 LYS 69 HD2 LYS 69 2.227 4.538 9.286 449 HD3 LYS 69 HD1 LYS 69 3.325 3.335 8.608 450 HE2 LYS 69 HE2 LYS 69 2.732 4.117 6.352 451 HE3 LYS 69 HE1 LYS 69 1.694 5.345 7.071 452 HZ1 LYS 69 HZ1 LYS 69 4.639 5.136 7.375 453 HZ2 LYS 69 HZ2 LYS 69 3.669 6.260 8.178 454 HZ3 LYS 69 HZ3 LYS 69 3.797 6.310 6.493 455 H VAL 70 HN VAL 70 -3.160 2.871 7.395 456 HA VAL 70 HA VAL 70 -4.232 5.496 7.964 457 HB VAL 70 HB VAL 70 -5.804 5.136 6.204 458 HG11 VAL 70 HG11 VAL 70 -3.768 5.731 5.273 459 HG12 VAL 70 HG12 VAL 70 -4.206 4.284 4.365 460 HG13 VAL 70 HG13 VAL 70 -3.024 4.183 5.663 461 HG21 VAL 70 HG21 VAL 70 -4.949 2.243 6.173 462 HG22 VAL 70 HG22 VAL 70 -6.051 3.004 5.025 463 HG23 VAL 70 HG23 VAL 70 -6.508 2.859 6.722 464 H GLY 71 HN GLY 71 -4.512 2.593 9.493 465 HA2 GLY 71 HA2 GLY 71 -5.842 2.394 11.465 466 HA3 GLY 71 HA1 GLY 71 -7.036 3.452 10.730 467 H GLN 72 HN GLN 72 -5.763 1.041 8.689 468 HA GLN 72 HA GLN 72 -8.096 -0.690 9.175 469 HB2 GLN 72 HB2 GLN 72 -8.511 0.615 7.171 470 HB3 GLN 72 HB1 GLN 72 -6.926 0.217 6.535 471 HG2 GLN 72 HG2 GLN 72 -8.504 -1.090 5.365 472 HG3 GLN 72 HG1 GLN 72 -7.649 -2.170 6.462 473 HE21 GLN 72 HE21 GLN 72 -10.626 -0.542 5.779 474 HE22 GLN 72 HE22 GLN 72 -11.621 -1.497 6.824 475 HA PRO 73 HA PRO 73 -4.249 -3.111 9.514 476 HB2 PRO 73 HB2 PRO 73 -5.190 -4.934 11.278 477 HB3 PRO 73 HB1 PRO 73 -4.577 -3.350 11.765 478 HG2 PRO 73 HG2 PRO 73 -7.391 -4.284 11.466 479 HG3 PRO 73 HG1 PRO 73 -6.693 -3.199 12.678 480 HD2 PRO 73 HD2 PRO 73 -8.136 -2.347 10.505 481 HD3 PRO 73 HD1 PRO 73 -6.914 -1.361 11.330 482 H LYS 74 HN LYS 74 -4.286 -3.947 7.485 483 HA LYS 74 HA LYS 74 -5.872 -6.383 7.081 484 HB2 LYS 74 HB2 LYS 74 -4.518 -4.552 5.096 485 HB3 LYS 74 HB1 LYS 74 -5.188 -6.118 4.661 486 HG2 LYS 74 HG2 LYS 74 -6.719 -3.782 5.783 487 HG3 LYS 74 HG1 LYS 74 -6.728 -4.332 4.106 488 HD2 LYS 74 HD2 LYS 74 -7.645 -6.500 4.857 489 HD3 LYS 74 HD1 LYS 74 -7.699 -5.882 6.508 490 HE2 LYS 74 HE2 LYS 74 -9.209 -4.079 5.735 491 HE3 LYS 74 HE1 LYS 74 -9.213 -4.812 4.134 492 HZ1 LYS 74 HZ1 LYS 74 -10.220 -6.040 6.640 493 HZ2 LYS 74 HZ2 LYS 74 -10.109 -6.848 5.159 494 HZ3 LYS 74 HZ3 LYS 74 -11.148 -5.525 5.321 495 H THR 75 HN THR 75 -4.858 -8.299 6.770 496 HA THR 75 HA THR 75 -2.095 -8.394 7.560 497 HB THR 75 HB THR 75 -2.363 -10.848 7.436 498 HG1 THR 75 HG1 THR 75 -5.052 -10.898 7.123 499 HG21 THR 75 HG21 THR 75 -4.035 -11.063 9.224 500 HG22 THR 75 HG22 THR 75 -4.592 -9.424 8.890 501 HG23 THR 75 HG23 THR 75 -2.959 -9.694 9.496 502 H LEU 76 HN LEU 76 -0.486 -9.595 6.351 503 HA LEU 76 HA LEU 76 -0.210 -8.703 3.707 504 HB2 LEU 76 HB2 LEU 76 1.677 -9.275 5.177 505 HB3 LEU 76 HB1 LEU 76 1.199 -10.961 5.143 506 HG LEU 76 HG LEU 76 1.696 -11.066 2.750 507 HD11 LEU 76 HD11 LEU 76 2.867 -9.185 1.673 508 HD12 LEU 76 HD12 LEU 76 2.555 -8.200 3.102 509 HD13 LEU 76 HD13 LEU 76 1.211 -8.782 2.123 510 HD21 LEU 76 HD21 LEU 76 3.441 -11.615 4.368 511 HD22 LEU 76 HD22 LEU 76 3.954 -9.927 4.395 512 HD23 LEU 76 HD23 LEU 76 4.124 -10.879 2.920 513 H ASN 77 HN ASN 77 -1.442 -11.638 5.112 514 HA ASN 77 HA ASN 77 -1.607 -13.255 2.833 515 HB2 ASN 77 HB2 ASN 77 -1.941 -14.016 5.177 516 HB3 ASN 77 HB1 ASN 77 -3.491 -13.190 5.199 517 HD21 ASN 77 HD21 ASN 77 -1.696 -15.869 3.908 518 HD22 ASN 77 HD22 ASN 77 -3.061 -16.768 3.343 519 H GLU 78 HN GLU 78 -3.907 -10.932 4.205 520 HA GLU 78 HA GLU 78 -6.026 -11.338 2.417 521 HB2 GLU 78 HB2 GLU 78 -5.135 -8.833 3.854 522 HB3 GLU 78 HB1 GLU 78 -6.635 -8.948 2.949 523 HG2 GLU 78 HG2 GLU 78 -5.923 -10.681 5.290 524 HG3 GLU 78 HG1 GLU 78 -6.901 -9.220 5.387 525 H ILE 79 HN ILE 79 -3.297 -9.090 2.272 526 HA ILE 79 HA ILE 79 -4.139 -7.731 -0.037 527 HB ILE 79 HB ILE 79 -1.300 -8.049 0.949 528 HG12 ILE 79 HG12 ILE 79 -2.713 -7.220 2.749 529 HG13 ILE 79 HG11 ILE 79 -1.703 -5.913 2.143 530 HG21 ILE 79 HG21 ILE 79 -1.480 -7.160 -1.325 531 HG22 ILE 79 HG22 ILE 79 -0.890 -5.942 -0.195 532 HG23 ILE 79 HG23 ILE 79 -2.566 -5.897 -0.743 533 HD11 ILE 79 HD11 ILE 79 -3.612 -5.066 0.851 534 HD12 ILE 79 HD12 ILE 79 -3.938 -5.117 2.583 535 HD13 ILE 79 HD13 ILE 79 -4.616 -6.351 1.521 536 H LYS 80 HN LYS 80 -1.921 -10.473 0.378 537 HA LYS 80 HA LYS 80 -1.154 -10.654 -2.328 538 HB2 LYS 80 HB2 LYS 80 -1.242 -12.795 -0.197 539 HB3 LYS 80 HB1 LYS 80 -0.443 -12.965 -1.758 540 HG2 LYS 80 HG2 LYS 80 0.933 -10.961 -1.142 541 HG3 LYS 80 HG1 LYS 80 0.260 -11.092 0.480 542 HD2 LYS 80 HD2 LYS 80 1.202 -13.287 0.754 543 HD3 LYS 80 HD1 LYS 80 1.747 -13.309 -0.924 544 HE2 LYS 80 HE2 LYS 80 2.678 -11.305 1.123 545 HE3 LYS 80 HE1 LYS 80 3.533 -12.796 0.756 546 HZ1 LYS 80 HZ1 LYS 80 4.023 -12.066 -1.390 547 HZ2 LYS 80 HZ2 LYS 80 4.295 -10.702 -0.416 548 HZ3 LYS 80 HZ3 LYS 80 2.880 -10.821 -1.339 549 H ARG 81 HN ARG 81 -3.806 -12.106 -0.528 550 HA ARG 81 HA ARG 81 -4.756 -13.730 -2.653 551 HB2 ARG 81 HB2 ARG 81 -5.482 -14.255 -0.437 552 HB3 ARG 81 HB1 ARG 81 -6.118 -12.635 -0.194 553 HG2 ARG 81 HG2 ARG 81 -7.889 -14.283 -0.558 554 HG3 ARG 81 HG1 ARG 81 -7.870 -13.042 -1.810 555 HD2 ARG 81 HD2 ARG 81 -6.666 -14.576 -3.297 556 HD3 ARG 81 HD1 ARG 81 -6.715 -15.819 -2.048 557 HE ARG 81 HE ARG 81 -9.243 -15.531 -2.262 558 HH11 ARG 81 HH11 ARG 81 -7.020 -15.093 -4.951 559 HH12 ARG 81 HH12 ARG 81 -8.182 -15.589 -6.139 560 HH21 ARG 81 HH21 ARG 81 -10.765 -16.159 -3.844 561 HH22 ARG 81 HH22 ARG 81 -10.302 -16.178 -5.517 562 H ILE 82 HN ILE 82 -5.615 -10.482 -1.543 563 HA ILE 82 HA ILE 82 -7.696 -10.025 -3.370 564 HB ILE 82 HB ILE 82 -5.824 -8.066 -2.032 565 HG12 ILE 82 HG12 ILE 82 -8.687 -8.752 -1.339 566 HG13 ILE 82 HG11 ILE 82 -7.308 -9.566 -0.607 567 HG21 ILE 82 HG21 ILE 82 -6.829 -7.031 -3.988 568 HG22 ILE 82 HG22 ILE 82 -7.530 -6.363 -2.516 569 HG23 ILE 82 HG23 ILE 82 -8.432 -7.547 -3.463 570 HD11 ILE 82 HD11 ILE 82 -7.946 -6.631 -0.421 571 HD12 ILE 82 HD12 ILE 82 -6.534 -7.420 0.282 572 HD13 ILE 82 HD13 ILE 82 -8.148 -7.837 0.852 573 H LEU 83 HN LEU 83 -4.203 -9.560 -3.636 574 HA LEU 83 HA LEU 83 -4.378 -8.280 -6.204 575 HB2 LEU 83 HB2 LEU 83 -2.060 -9.433 -4.666 576 HB3 LEU 83 HB1 LEU 83 -1.888 -8.658 -6.229 577 HG LEU 83 HG LEU 83 -2.917 -7.336 -3.719 578 HD11 LEU 83 HD11 LEU 83 -0.302 -7.034 -5.187 579 HD12 LEU 83 HD12 LEU 83 -0.533 -7.800 -3.616 580 HD13 LEU 83 HD13 LEU 83 -0.828 -6.073 -3.806 581 HD21 LEU 83 HD21 LEU 83 -2.727 -5.266 -5.074 582 HD22 LEU 83 HD22 LEU 83 -3.973 -6.373 -5.649 583 HD23 LEU 83 HD23 LEU 83 -2.430 -6.267 -6.494 584 H SER 84 HN SER 84 -4.167 -11.546 -5.075 585 HA SER 84 HA SER 84 -3.763 -12.431 -7.855 586 HB2 SER 84 HB2 SER 84 -3.061 -13.961 -5.343 587 HB3 SER 84 HB1 SER 84 -2.711 -14.442 -7.002 588 HG SER 84 HG SER 84 -1.653 -12.124 -6.870 Start of MODEL 13 1 H1 LYS 15 HT1 LYS 15 29.284 -0.649 -0.040 2 H2 LYS 15 HT2 LYS 15 28.712 -2.112 -0.661 3 H3 LYS 15 HT3 LYS 15 28.426 -1.710 0.956 4 HA LYS 15 HA LYS 15 27.355 -0.287 -1.399 5 HB2 LYS 15 HB2 LYS 15 26.261 -2.420 -1.126 6 HB3 LYS 15 HB1 LYS 15 26.047 -2.133 0.593 7 HG2 LYS 15 HG2 LYS 15 24.457 -0.403 0.180 8 HG3 LYS 15 HG1 LYS 15 24.781 -0.448 -1.552 9 HD2 LYS 15 HD2 LYS 15 23.753 -2.845 -0.057 10 HD3 LYS 15 HD1 LYS 15 22.668 -1.623 -0.719 11 HE2 LYS 15 HE2 LYS 15 24.729 -3.090 -2.354 12 HE3 LYS 15 HE1 LYS 15 23.057 -3.623 -2.191 13 HZ1 LYS 15 HZ1 LYS 15 23.827 -0.938 -3.206 14 HZ2 LYS 15 HZ2 LYS 15 22.294 -1.654 -3.243 15 HZ3 LYS 15 HZ3 LYS 15 23.532 -2.271 -4.209 16 HA PRO 16 HA PRO 16 27.398 2.930 1.641 17 HB2 PRO 16 HB2 PRO 16 26.893 4.954 -0.035 18 HB3 PRO 16 HB1 PRO 16 28.432 4.089 -0.072 19 HG2 PRO 16 HG2 PRO 16 26.081 3.854 -1.892 20 HG3 PRO 16 HG1 PRO 16 27.810 3.793 -2.277 21 HD2 PRO 16 HD2 PRO 16 26.150 1.584 -1.984 22 HD3 PRO 16 HD1 PRO 16 27.919 1.552 -1.883 23 H GLU 17 HN GLU 17 25.963 4.623 2.455 24 HA GLU 17 HA GLU 17 23.183 3.782 2.318 25 HB2 GLU 17 HB2 GLU 17 24.665 5.667 4.144 26 HB3 GLU 17 HB1 GLU 17 22.919 5.467 4.201 27 HG2 GLU 17 HG2 GLU 17 24.962 3.306 4.657 28 HG3 GLU 17 HG1 GLU 17 24.019 4.128 5.900 29 H VAL 18 HN VAL 18 24.800 5.512 0.337 30 HA VAL 18 HA VAL 18 23.303 7.962 0.220 31 HB VAL 18 HB VAL 18 24.961 6.715 -1.981 32 HG11 VAL 18 HG11 VAL 18 23.513 8.522 -2.730 33 HG12 VAL 18 HG12 VAL 18 25.204 9.024 -2.765 34 HG13 VAL 18 HG13 VAL 18 24.148 9.573 -1.464 35 HG21 VAL 18 HG21 VAL 18 26.822 8.076 -1.167 36 HG22 VAL 18 HG22 VAL 18 26.301 6.909 0.048 37 HG23 VAL 18 HG23 VAL 18 25.841 8.605 0.198 38 H GLU 19 HN GLU 19 22.980 4.744 -0.911 39 HA GLU 19 HA GLU 19 21.173 5.209 -3.047 40 HB2 GLU 19 HB2 GLU 19 21.629 2.754 -1.356 41 HB3 GLU 19 HB1 GLU 19 20.673 2.794 -2.829 42 HG2 GLU 19 HG2 GLU 19 22.733 3.564 -4.030 43 HG3 GLU 19 HG1 GLU 19 23.631 3.235 -2.547 44 H HIS 20 HN HIS 20 18.927 4.880 -3.097 45 HA HIS 20 HA HIS 20 17.607 5.582 -0.593 46 HB2 HIS 20 HB2 HIS 20 16.511 5.453 -3.414 47 HB3 HIS 20 HB1 HIS 20 15.628 6.025 -2.006 48 HD1 HIS 20 HD1 HIS 20 17.388 7.296 -4.790 49 HD2 HIS 20 HD2 HIS 20 17.209 8.326 -0.770 50 HE1 HIS 20 HE1 HIS 20 18.226 9.662 -4.663 51 HE2 HIS 20 HE2 HIS 20 18.304 10.183 -2.200 52 H THR 21 HN THR 21 17.806 3.541 0.427 53 HA THR 21 HA THR 21 16.651 1.205 -0.806 54 HB THR 21 HB THR 21 17.121 0.169 1.471 55 HG1 THR 21 HG1 THR 21 18.911 1.835 2.383 56 HG21 THR 21 HG21 THR 21 19.555 0.097 1.103 57 HG22 THR 21 HG22 THR 21 19.414 1.444 -0.027 58 HG23 THR 21 HG23 THR 21 18.656 -0.104 -0.399 59 H HIS 22 HN HIS 22 16.064 2.441 2.464 60 HA HIS 22 HA HIS 22 13.380 1.465 2.401 61 HB2 HIS 22 HB2 HIS 22 13.156 2.277 4.652 62 HB3 HIS 22 HB1 HIS 22 14.728 1.526 4.486 63 HD1 HIS 22 HD1 HIS 22 16.816 3.058 4.769 64 HD2 HIS 22 HD2 HIS 22 13.173 5.040 5.124 65 HE1 HIS 22 HE1 HIS 22 17.356 5.305 5.754 66 HE2 HIS 22 HE2 HIS 22 15.144 6.490 5.959 67 H SER 23 HN SER 23 14.902 4.426 1.586 68 HA SER 23 HA SER 23 12.775 6.212 1.989 69 HB2 SER 23 HB2 SER 23 15.115 6.896 1.495 70 HB3 SER 23 HB1 SER 23 14.908 6.330 -0.159 71 HG SER 23 HG SER 23 12.914 8.020 0.580 72 H GLU 24 HN GLU 24 13.495 3.983 -0.653 73 HA GLU 24 HA GLU 24 11.520 4.989 -2.423 74 HB2 GLU 24 HB2 GLU 24 13.117 2.473 -2.266 75 HB3 GLU 24 HB1 GLU 24 11.707 2.505 -3.314 76 HG2 GLU 24 HG2 GLU 24 12.776 4.675 -4.252 77 HG3 GLU 24 HG1 GLU 24 14.252 4.047 -3.516 78 H ARG 25 HN ARG 25 11.522 2.266 -0.123 79 HA ARG 25 HA ARG 25 8.836 1.568 -0.719 80 HB2 ARG 25 HB2 ARG 25 9.024 -0.103 0.847 81 HB3 ARG 25 HB1 ARG 25 10.708 0.148 0.427 82 HG2 ARG 25 HG2 ARG 25 11.199 1.157 2.447 83 HG3 ARG 25 HG1 ARG 25 9.512 1.578 2.761 84 HD2 ARG 25 HD2 ARG 25 10.755 -1.168 2.855 85 HD3 ARG 25 HD1 ARG 25 10.135 -0.230 4.213 86 HE ARG 25 HE ARG 25 8.413 -1.258 2.041 87 HH11 ARG 25 HH11 ARG 25 9.005 -0.651 5.439 88 HH12 ARG 25 HH12 ARG 25 7.434 -1.208 5.933 89 HH21 ARG 25 HH21 ARG 25 6.399 -2.038 2.683 90 HH22 ARG 25 HH22 ARG 25 5.968 -2.040 4.371 91 H GLU 26 HN GLU 26 10.358 3.642 1.676 92 HA GLU 26 HA GLU 26 8.150 4.111 3.317 93 HB2 GLU 26 HB2 GLU 26 10.435 4.718 3.927 94 HB3 GLU 26 HB1 GLU 26 10.471 5.926 2.651 95 HG2 GLU 26 HG2 GLU 26 8.804 7.225 3.765 96 HG3 GLU 26 HG1 GLU 26 8.585 5.977 4.989 97 H LYS 27 HN LYS 27 9.235 5.845 0.393 98 HA LYS 27 HA LYS 27 7.190 7.801 0.555 99 HB2 LYS 27 HB2 LYS 27 7.808 8.477 -1.658 100 HB3 LYS 27 HB1 LYS 27 9.278 8.071 -0.787 101 HG2 LYS 27 HG2 LYS 27 9.425 5.957 -1.939 102 HG3 LYS 27 HG1 LYS 27 7.887 6.263 -2.749 103 HD2 LYS 27 HD2 LYS 27 8.866 8.219 -3.855 104 HD3 LYS 27 HD1 LYS 27 10.402 7.902 -3.050 105 HE2 LYS 27 HE2 LYS 27 10.427 7.065 -5.339 106 HE3 LYS 27 HE1 LYS 27 10.553 5.742 -4.181 107 HZ1 LYS 27 HZ1 LYS 27 8.170 5.348 -4.471 108 HZ2 LYS 27 HZ2 LYS 27 9.015 5.177 -5.923 109 HZ3 LYS 27 HZ3 LYS 27 8.102 6.572 -5.634 110 H ARG 28 HN ARG 28 7.359 4.604 -0.898 111 HA ARG 28 HA ARG 28 4.977 4.798 -2.416 112 HB2 ARG 28 HB2 ARG 28 6.410 2.393 -1.285 113 HB3 ARG 28 HB1 ARG 28 5.001 2.280 -2.327 114 HG2 ARG 28 HG2 ARG 28 6.363 3.684 -3.986 115 HG3 ARG 28 HG1 ARG 28 7.750 3.247 -2.992 116 HD2 ARG 28 HD2 ARG 28 5.850 1.309 -4.308 117 HD3 ARG 28 HD1 ARG 28 7.455 1.728 -4.899 118 HE ARG 28 HE ARG 28 7.409 0.697 -2.199 119 HH11 ARG 28 HH11 ARG 28 7.568 -0.138 -5.598 120 HH12 ARG 28 HH12 ARG 28 8.402 -1.632 -5.323 121 HH21 ARG 28 HH21 ARG 28 8.465 -1.271 -1.826 122 HH22 ARG 28 HH22 ARG 28 8.915 -2.285 -3.169 123 H VAL 29 HN VAL 29 5.633 3.501 0.822 124 HA VAL 29 HA VAL 29 2.985 2.825 1.458 125 HB VAL 29 HB VAL 29 5.248 3.664 3.282 126 HG11 VAL 29 HG11 VAL 29 3.985 2.612 5.091 127 HG12 VAL 29 HG12 VAL 29 2.640 2.318 3.988 128 HG13 VAL 29 HG13 VAL 29 3.097 3.971 4.403 129 HG21 VAL 29 HG21 VAL 29 5.751 1.671 2.008 130 HG22 VAL 29 HG22 VAL 29 4.204 0.957 2.462 131 HG23 VAL 29 HG23 VAL 29 5.439 1.235 3.689 132 H SER 30 HN SER 30 4.801 5.840 1.904 133 HA SER 30 HA SER 30 2.841 7.301 3.256 134 HB2 SER 30 HB2 SER 30 4.873 8.333 1.260 135 HB3 SER 30 HB1 SER 30 4.029 9.296 2.473 136 HG SER 30 HG SER 30 5.931 7.229 2.890 137 H ASN 31 HN ASN 31 3.432 6.970 -0.234 138 HA ASN 31 HA ASN 31 1.375 8.662 -1.117 139 HB2 ASN 31 HB2 ASN 31 2.737 6.306 -2.419 140 HB3 ASN 31 HB1 ASN 31 1.528 7.275 -3.247 141 HD21 ASN 31 HD21 ASN 31 4.350 6.868 -3.847 142 HD22 ASN 31 HD22 ASN 31 5.067 8.440 -3.863 143 H ALA 32 HN ALA 32 1.383 5.280 -0.220 144 HA ALA 32 HA ALA 32 -1.257 4.731 -1.151 145 HB1 ALA 32 HB1 ALA 32 -1.044 2.649 0.130 146 HB2 ALA 32 HB2 ALA 32 0.464 3.246 0.823 147 HB3 ALA 32 HB3 ALA 32 0.348 2.941 -0.910 148 H VAL 33 HN VAL 33 0.142 5.504 2.015 149 HA VAL 33 HA VAL 33 -2.215 5.248 3.514 150 HB VAL 33 HB VAL 33 0.192 7.020 3.992 151 HG11 VAL 33 HG11 VAL 33 -1.723 7.878 5.242 152 HG12 VAL 33 HG12 VAL 33 -0.531 7.154 6.323 153 HG13 VAL 33 HG13 VAL 33 -2.004 6.274 5.920 154 HG21 VAL 33 HG21 VAL 33 0.811 5.269 5.614 155 HG22 VAL 33 HG22 VAL 33 0.748 4.674 3.955 156 HG23 VAL 33 HG23 VAL 33 -0.568 4.311 5.072 157 H GLU 34 HN GLU 34 -0.832 8.035 1.819 158 HA GLU 34 HA GLU 34 -2.846 9.849 2.657 159 HB2 GLU 34 HB2 GLU 34 -1.898 11.395 1.090 160 HB3 GLU 34 HB1 GLU 34 -0.587 10.511 1.857 161 HG2 GLU 34 HG2 GLU 34 -0.327 9.127 -0.094 162 HG3 GLU 34 HG1 GLU 34 -1.694 9.926 -0.870 163 H PHE 35 HN PHE 35 -2.536 7.678 -0.094 164 HA PHE 35 HA PHE 35 -4.799 8.692 -1.505 165 HB2 PHE 35 HB2 PHE 35 -3.100 7.453 -2.702 166 HB3 PHE 35 HB1 PHE 35 -3.343 6.045 -1.675 167 HD1 PHE 35 HD1 PHE 35 -4.893 4.406 -2.255 168 HD2 PHE 35 HD2 PHE 35 -5.016 8.193 -4.196 169 HE1 PHE 35 HE1 PHE 35 -6.543 3.528 -3.853 170 HE2 PHE 35 HE2 PHE 35 -6.670 7.319 -5.795 171 HZ PHE 35 HZ PHE 35 -7.434 4.986 -5.625 172 H LEU 36 HN LEU 36 -4.281 6.019 0.751 173 HA LEU 36 HA LEU 36 -6.872 4.919 0.525 174 HB2 LEU 36 HB2 LEU 36 -4.781 4.729 2.668 175 HB3 LEU 36 HB1 LEU 36 -6.272 3.811 2.711 176 HG LEU 36 HG LEU 36 -4.161 3.622 0.559 177 HD11 LEU 36 HD11 LEU 36 -3.392 2.706 2.679 178 HD12 LEU 36 HD12 LEU 36 -3.692 1.422 1.509 179 HD13 LEU 36 HD13 LEU 36 -4.854 1.729 2.798 180 HD21 LEU 36 HD21 LEU 36 -5.447 1.651 -0.171 181 HD22 LEU 36 HD22 LEU 36 -6.361 3.149 -0.326 182 HD23 LEU 36 HD23 LEU 36 -6.693 2.049 1.012 183 H LEU 37 HN LEU 37 -5.581 7.507 2.474 184 HA LEU 37 HA LEU 37 -7.883 7.536 4.228 185 HB2 LEU 37 HB2 LEU 37 -5.274 8.926 4.114 186 HB3 LEU 37 HB1 LEU 37 -6.591 9.788 4.889 187 HG LEU 37 HG LEU 37 -5.700 7.012 5.668 188 HD11 LEU 37 HD11 LEU 37 -5.097 9.671 6.957 189 HD12 LEU 37 HD12 LEU 37 -3.938 8.623 6.142 190 HD13 LEU 37 HD13 LEU 37 -4.710 8.090 7.634 191 HD21 LEU 37 HD21 LEU 37 -8.029 7.479 6.169 192 HD22 LEU 37 HD22 LEU 37 -7.576 8.990 6.952 193 HD23 LEU 37 HD23 LEU 37 -7.079 7.450 7.655 194 H ASP 38 HN ASP 38 -7.597 8.438 1.171 195 HA ASP 38 HA ASP 38 -8.797 11.043 1.283 196 HB2 ASP 38 HB2 ASP 38 -7.428 10.260 -0.654 197 HB3 ASP 38 HB1 ASP 38 -8.684 9.089 -1.029 198 H SER 39 HN SER 39 -10.949 11.557 1.191 199 HA SER 39 HA SER 39 -12.779 9.761 2.281 200 HB2 SER 39 HB2 SER 39 -13.389 12.263 0.691 201 HB3 SER 39 HB1 SER 39 -14.452 11.480 1.862 202 HG SER 39 HG SER 39 -13.515 12.879 3.154 203 H ARG 40 HN ARG 40 -12.131 10.575 -1.075 204 HA ARG 40 HA ARG 40 -14.409 9.262 -2.182 205 HB2 ARG 40 HB2 ARG 40 -11.760 10.033 -3.418 206 HB3 ARG 40 HB1 ARG 40 -13.121 9.393 -4.325 207 HG2 ARG 40 HG2 ARG 40 -14.441 11.309 -3.856 208 HG3 ARG 40 HG1 ARG 40 -13.266 11.907 -2.685 209 HD2 ARG 40 HD2 ARG 40 -11.625 12.187 -4.476 210 HD3 ARG 40 HD1 ARG 40 -12.793 11.579 -5.647 211 HE ARG 40 HE ARG 40 -14.023 13.712 -4.417 212 HH11 ARG 40 HH11 ARG 40 -11.068 13.236 -6.229 213 HH12 ARG 40 HH12 ARG 40 -11.079 14.825 -6.915 214 HH21 ARG 40 HH21 ARG 40 -14.039 15.814 -5.322 215 HH22 ARG 40 HH22 ARG 40 -12.768 16.290 -6.401 216 H VAL 41 HN VAL 41 -11.081 8.324 -1.544 217 HA VAL 41 HA VAL 41 -11.250 5.792 -2.853 218 HB VAL 41 HB VAL 41 -9.259 6.806 -0.817 219 HG11 VAL 41 HG11 VAL 41 -7.786 5.038 -1.676 220 HG12 VAL 41 HG12 VAL 41 -9.100 4.442 -2.689 221 HG13 VAL 41 HG13 VAL 41 -9.240 4.371 -0.932 222 HG21 VAL 41 HG21 VAL 41 -9.135 6.724 -3.828 223 HG22 VAL 41 HG22 VAL 41 -7.854 7.280 -2.750 224 HG23 VAL 41 HG23 VAL 41 -9.375 8.167 -2.843 225 H ARG 42 HN ARG 42 -11.715 6.931 0.432 226 HA ARG 42 HA ARG 42 -11.971 4.394 1.654 227 HB2 ARG 42 HB2 ARG 42 -13.204 7.047 2.413 228 HB3 ARG 42 HB1 ARG 42 -13.197 5.618 3.433 229 HG2 ARG 42 HG2 ARG 42 -10.720 5.664 3.396 230 HG3 ARG 42 HG1 ARG 42 -10.805 7.181 2.498 231 HD2 ARG 42 HD2 ARG 42 -10.466 7.656 4.833 232 HD3 ARG 42 HD1 ARG 42 -12.085 8.170 4.361 233 HE ARG 42 HE ARG 42 -12.665 5.795 5.313 234 HH11 ARG 42 HH11 ARG 42 -10.444 8.159 6.634 235 HH12 ARG 42 HH12 ARG 42 -10.631 7.603 8.267 236 HH21 ARG 42 HH21 ARG 42 -12.921 5.068 7.455 237 HH22 ARG 42 HH22 ARG 42 -12.044 5.842 8.735 238 H ARG 43 HN ARG 43 -14.008 6.153 -0.454 239 HA ARG 43 HA ARG 43 -16.483 4.947 0.393 240 HB2 ARG 43 HB2 ARG 43 -16.252 7.252 -0.603 241 HB3 ARG 43 HB1 ARG 43 -15.917 6.479 -2.144 242 HG2 ARG 43 HG2 ARG 43 -18.121 5.423 -2.091 243 HG3 ARG 43 HG1 ARG 43 -18.455 6.213 -0.549 244 HD2 ARG 43 HD2 ARG 43 -17.938 7.554 -3.196 245 HD3 ARG 43 HD1 ARG 43 -19.474 7.479 -2.332 246 HE ARG 43 HE ARG 43 -18.112 8.729 -0.519 247 HH11 ARG 43 HH11 ARG 43 -17.858 9.180 -3.983 248 HH12 ARG 43 HH12 ARG 43 -17.302 10.817 -3.854 249 HH21 ARG 43 HH21 ARG 43 -17.366 10.885 -0.350 250 HH22 ARG 43 HH22 ARG 43 -17.023 11.788 -1.793 251 H THR 44 HN THR 44 -13.913 4.108 -1.705 252 HA THR 44 HA THR 44 -15.527 2.239 -3.245 253 HB THR 44 HB THR 44 -13.058 1.684 -4.097 254 HG1 THR 44 HG1 THR 44 -12.264 3.300 -2.471 255 HG21 THR 44 HG21 THR 44 -13.369 3.359 -5.859 256 HG22 THR 44 HG22 THR 44 -14.613 4.145 -4.887 257 HG23 THR 44 HG23 THR 44 -14.872 2.511 -5.497 258 HA PRO 45 HA PRO 45 -14.626 -1.373 -0.856 259 HB2 PRO 45 HB2 PRO 45 -14.067 -3.216 -2.802 260 HB3 PRO 45 HB1 PRO 45 -15.700 -2.685 -2.389 261 HG2 PRO 45 HG2 PRO 45 -13.922 -1.794 -4.621 262 HG3 PRO 45 HG1 PRO 45 -15.661 -2.139 -4.644 263 HD2 PRO 45 HD2 PRO 45 -14.714 0.374 -4.552 264 HD3 PRO 45 HD1 PRO 45 -16.205 -0.095 -3.713 265 H THR 46 HN THR 46 -12.957 -2.822 -0.196 266 HA THR 46 HA THR 46 -10.433 -1.567 -0.139 267 HB THR 46 HB THR 46 -10.770 -4.431 0.624 268 HG1 THR 46 HG1 THR 46 -11.987 -3.873 2.389 269 HG21 THR 46 HG21 THR 46 -9.435 -3.692 2.564 270 HG22 THR 46 HG22 THR 46 -9.415 -2.059 1.902 271 HG23 THR 46 HG23 THR 46 -8.626 -3.375 1.031 272 H SER 47 HN SER 47 -11.669 -4.377 -1.905 273 HA SER 47 HA SER 47 -9.255 -5.361 -2.897 274 HB2 SER 47 HB2 SER 47 -11.933 -5.379 -4.309 275 HB3 SER 47 HB1 SER 47 -10.587 -6.489 -4.587 276 HG SER 47 HG SER 47 -11.425 -7.651 -3.063 277 H SER 48 HN SER 48 -11.357 -2.806 -4.111 278 HA SER 48 HA SER 48 -9.968 -2.283 -6.496 279 HB2 SER 48 HB2 SER 48 -11.714 -0.544 -4.747 280 HB3 SER 48 HB1 SER 48 -11.139 -0.088 -6.341 281 HG SER 48 HG SER 48 -12.551 -1.373 -7.237 282 H LYS 49 HN LYS 49 -9.745 -0.908 -3.240 283 HA LYS 49 HA LYS 49 -7.813 1.048 -3.703 284 HB2 LYS 49 HB2 LYS 49 -8.076 -0.664 -1.225 285 HB3 LYS 49 HB1 LYS 49 -7.310 0.913 -1.323 286 HG2 LYS 49 HG2 LYS 49 -9.448 1.948 -1.798 287 HG3 LYS 49 HG1 LYS 49 -10.234 0.366 -1.782 288 HD2 LYS 49 HD2 LYS 49 -9.383 0.110 0.587 289 HD3 LYS 49 HD1 LYS 49 -8.939 1.817 0.520 290 HE2 LYS 49 HE2 LYS 49 -11.270 2.392 0.032 291 HE3 LYS 49 HE1 LYS 49 -11.700 0.684 0.111 292 HZ1 LYS 49 HZ1 LYS 49 -12.202 1.899 2.166 293 HZ2 LYS 49 HZ2 LYS 49 -10.558 2.231 2.369 294 HZ3 LYS 49 HZ3 LYS 49 -11.108 0.636 2.418 295 H VAL 50 HN VAL 50 -7.435 -2.357 -2.792 296 HA VAL 50 HA VAL 50 -4.615 -2.317 -2.582 297 HB VAL 50 HB VAL 50 -6.421 -4.662 -3.206 298 HG11 VAL 50 HG11 VAL 50 -3.586 -4.612 -2.175 299 HG12 VAL 50 HG12 VAL 50 -4.095 -5.128 -3.780 300 HG13 VAL 50 HG13 VAL 50 -4.590 -6.050 -2.359 301 HG21 VAL 50 HG21 VAL 50 -5.325 -3.675 -0.574 302 HG22 VAL 50 HG22 VAL 50 -6.286 -5.133 -0.812 303 HG23 VAL 50 HG23 VAL 50 -7.000 -3.549 -1.109 304 H HIS 51 HN HIS 51 -6.750 -3.232 -5.271 305 HA HIS 51 HA HIS 51 -4.690 -4.028 -7.033 306 HB2 HIS 51 HB2 HIS 51 -7.535 -3.155 -7.475 307 HB3 HIS 51 HB1 HIS 51 -6.474 -3.525 -8.830 308 HD1 HIS 51 HD1 HIS 51 -8.063 -5.508 -9.434 309 HD2 HIS 51 HD2 HIS 51 -6.172 -5.855 -5.747 310 HE1 HIS 51 HE1 HIS 51 -8.405 -7.895 -8.714 311 HE2 HIS 51 HE2 HIS 51 -7.121 -8.125 -6.559 312 H PHE 52 HN PHE 52 -6.209 -0.929 -6.399 313 HA PHE 52 HA PHE 52 -5.146 0.489 -8.586 314 HB2 PHE 52 HB2 PHE 52 -7.027 1.198 -7.028 315 HB3 PHE 52 HB1 PHE 52 -5.783 1.638 -5.866 316 HD1 PHE 52 HD1 PHE 52 -4.175 3.457 -6.426 317 HD2 PHE 52 HD2 PHE 52 -7.576 2.599 -8.834 318 HE1 PHE 52 HE1 PHE 52 -4.000 5.681 -7.461 319 HE2 PHE 52 HE2 PHE 52 -7.404 4.819 -9.876 320 HZ PHE 52 HZ PHE 52 -5.614 6.364 -9.189 321 H LEU 53 HN LEU 53 -4.015 0.106 -5.243 322 HA LEU 53 HA LEU 53 -1.717 1.720 -5.492 323 HB2 LEU 53 HB2 LEU 53 -2.311 -0.566 -3.616 324 HB3 LEU 53 HB1 LEU 53 -0.939 0.512 -3.455 325 HG LEU 53 HG LEU 53 -3.837 1.344 -3.308 326 HD11 LEU 53 HD11 LEU 53 -3.351 1.744 -0.934 327 HD12 LEU 53 HD12 LEU 53 -1.754 1.028 -1.157 328 HD13 LEU 53 HD13 LEU 53 -3.201 0.044 -1.375 329 HD21 LEU 53 HD21 LEU 53 -2.923 3.498 -2.546 330 HD22 LEU 53 HD22 LEU 53 -2.458 3.120 -4.203 331 HD23 LEU 53 HD23 LEU 53 -1.296 2.913 -2.893 332 H LYS 54 HN LYS 54 -2.258 -1.731 -6.028 333 HA LYS 54 HA LYS 54 0.358 -2.532 -6.479 334 HB2 LYS 54 HB2 LYS 54 -1.718 -3.965 -6.319 335 HB3 LYS 54 HB1 LYS 54 -2.076 -3.507 -7.977 336 HG2 LYS 54 HG2 LYS 54 -1.023 -5.669 -7.928 337 HG3 LYS 54 HG1 LYS 54 0.058 -4.495 -8.686 338 HD2 LYS 54 HD2 LYS 54 1.383 -4.325 -6.717 339 HD3 LYS 54 HD1 LYS 54 0.209 -5.247 -5.776 340 HE2 LYS 54 HE2 LYS 54 2.067 -6.656 -6.314 341 HE3 LYS 54 HE1 LYS 54 0.649 -7.193 -7.210 342 HZ1 LYS 54 HZ1 LYS 54 1.495 -6.083 -9.169 343 HZ2 LYS 54 HZ2 LYS 54 2.643 -7.176 -8.587 344 HZ3 LYS 54 HZ3 LYS 54 2.840 -5.524 -8.314 345 H SER 55 HN SER 55 -2.031 -1.119 -8.677 346 HA SER 55 HA SER 55 -0.434 -1.282 -11.008 347 HB2 SER 55 HB2 SER 55 -2.821 0.465 -10.377 348 HB3 SER 55 HB1 SER 55 -2.162 0.169 -11.981 349 HG SER 55 HG SER 55 -2.647 -2.049 -11.691 350 H LYS 56 HN LYS 56 -0.421 0.846 -8.333 351 HA LYS 56 HA LYS 56 0.801 3.041 -9.760 352 HB2 LYS 56 HB2 LYS 56 0.094 2.531 -6.888 353 HB3 LYS 56 HB1 LYS 56 1.109 3.885 -7.340 354 HG2 LYS 56 HG2 LYS 56 -1.703 3.376 -8.287 355 HG3 LYS 56 HG1 LYS 56 -1.201 4.583 -7.103 356 HD2 LYS 56 HD2 LYS 56 0.191 5.656 -8.856 357 HD3 LYS 56 HD1 LYS 56 -0.446 4.498 -10.025 358 HE2 LYS 56 HE2 LYS 56 -1.682 6.541 -10.228 359 HE3 LYS 56 HE1 LYS 56 -2.732 5.319 -9.512 360 HZ1 LYS 56 HZ1 LYS 56 -2.983 7.400 -8.361 361 HZ2 LYS 56 HZ2 LYS 56 -1.322 7.494 -8.066 362 HZ3 LYS 56 HZ3 LYS 56 -2.241 6.287 -7.326 363 H GLY 57 HN GLY 57 1.862 0.100 -8.673 364 HA2 GLY 57 HA2 GLY 57 4.116 -0.551 -9.127 365 HA3 GLY 57 HA1 GLY 57 4.632 1.082 -8.738 366 H LEU 58 HN LEU 58 2.341 -0.136 -6.554 367 HA LEU 58 HA LEU 58 4.397 -0.413 -4.528 368 HB2 LEU 58 HB2 LEU 58 1.448 -0.138 -4.517 369 HB3 LEU 58 HB1 LEU 58 2.183 -0.970 -3.162 370 HG LEU 58 HG LEU 58 3.710 1.108 -3.003 371 HD11 LEU 58 HD11 LEU 58 2.668 3.183 -3.764 372 HD12 LEU 58 HD12 LEU 58 1.417 2.249 -4.586 373 HD13 LEU 58 HD13 LEU 58 3.097 2.130 -5.112 374 HD21 LEU 58 HD21 LEU 58 2.061 0.459 -1.348 375 HD22 LEU 58 HD22 LEU 58 0.794 1.258 -2.283 376 HD23 LEU 58 HD23 LEU 58 2.093 2.210 -1.563 377 H SER 59 HN SER 59 4.734 -2.195 -3.255 378 HA SER 59 HA SER 59 3.996 -4.755 -4.437 379 HB2 SER 59 HB2 SER 59 5.861 -4.159 -2.129 380 HB3 SER 59 HB1 SER 59 5.724 -5.687 -3.003 381 HG SER 59 HG SER 59 7.495 -4.465 -3.752 382 H ALA 60 HN ALA 60 3.455 -6.523 -2.785 383 HA ALA 60 HA ALA 60 1.021 -5.860 -1.574 384 HB1 ALA 60 HB1 ALA 60 1.008 -8.113 -0.700 385 HB2 ALA 60 HB2 ALA 60 2.739 -8.269 -0.995 386 HB3 ALA 60 HB3 ALA 60 1.624 -8.120 -2.353 387 H GLU 61 HN GLU 61 4.256 -6.147 -0.196 388 HA GLU 61 HA GLU 61 3.481 -6.022 2.523 389 HB2 GLU 61 HB2 GLU 61 6.093 -5.195 1.236 390 HB3 GLU 61 HB1 GLU 61 5.839 -5.407 2.961 391 HG2 GLU 61 HG2 GLU 61 6.946 -7.341 2.154 392 HG3 GLU 61 HG1 GLU 61 5.282 -7.797 2.510 393 H GLU 62 HN GLU 62 4.250 -3.594 0.126 394 HA GLU 62 HA GLU 62 4.384 -1.346 1.821 395 HB2 GLU 62 HB2 GLU 62 3.381 -1.252 -1.015 396 HB3 GLU 62 HB1 GLU 62 4.318 -0.044 -0.147 397 HG2 GLU 62 HG2 GLU 62 5.347 -2.739 -0.985 398 HG3 GLU 62 HG1 GLU 62 5.607 -1.240 -1.869 399 H ILE 63 HN ILE 63 1.797 -2.742 -0.109 400 HA ILE 63 HA ILE 63 -0.231 -0.916 0.544 401 HB ILE 63 HB ILE 63 -0.489 -3.830 -0.227 402 HG12 ILE 63 HG12 ILE 63 -0.605 -1.387 -2.007 403 HG13 ILE 63 HG11 ILE 63 0.843 -2.367 -1.798 404 HG21 ILE 63 HG21 ILE 63 -2.711 -3.137 -1.083 405 HG22 ILE 63 HG22 ILE 63 -2.473 -1.564 -0.321 406 HG23 ILE 63 HG23 ILE 63 -2.563 -3.020 0.669 407 HD11 ILE 63 HD11 ILE 63 -0.349 -2.942 -3.838 408 HD12 ILE 63 HD12 ILE 63 -1.788 -3.332 -2.896 409 HD13 ILE 63 HD13 ILE 63 -0.323 -4.297 -2.709 410 H CYS 64 HN CYS 64 0.671 -4.033 1.956 411 HA CYS 64 HA CYS 64 -1.362 -4.275 3.845 412 HB2 CYS 64 HB2 CYS 64 0.172 -6.098 3.260 413 HB3 CYS 64 HB1 CYS 64 1.506 -5.227 4.003 414 HG CYS 64 HG CYS 64 -1.126 -5.866 6.012 415 H GLU 65 HN GLU 65 1.818 -2.714 4.118 416 HA GLU 65 HA GLU 65 1.560 -2.044 6.846 417 HB2 GLU 65 HB2 GLU 65 3.733 -2.146 5.806 418 HB3 GLU 65 HB1 GLU 65 3.283 -0.904 4.646 419 HG2 GLU 65 HG2 GLU 65 3.215 0.751 6.318 420 HG3 GLU 65 HG1 GLU 65 3.382 -0.437 7.604 421 H ALA 66 HN ALA 66 1.042 -0.204 3.859 422 HA ALA 66 HA ALA 66 0.424 2.261 4.979 423 HB1 ALA 66 HB1 ALA 66 0.832 1.955 2.602 424 HB2 ALA 66 HB2 ALA 66 -0.717 2.760 2.869 425 HB3 ALA 66 HB3 ALA 66 -0.672 1.048 2.447 426 H PHE 67 HN PHE 67 -1.734 -0.454 4.208 427 HA PHE 67 HA PHE 67 -4.142 0.790 4.876 428 HB2 PHE 67 HB2 PHE 67 -3.214 -1.988 4.557 429 HB3 PHE 67 HB1 PHE 67 -4.627 -1.787 5.588 430 HD1 PHE 67 HD1 PHE 67 -3.394 -1.836 2.212 431 HD2 PHE 67 HD2 PHE 67 -6.635 -0.618 4.679 432 HE1 PHE 67 HE1 PHE 67 -4.837 -1.656 0.226 433 HE2 PHE 67 HE2 PHE 67 -8.082 -0.437 2.704 434 HZ PHE 67 HZ PHE 67 -7.187 -0.955 0.474 435 H THR 68 HN THR 68 -1.817 -0.914 6.905 436 HA THR 68 HA THR 68 -3.430 -0.952 9.223 437 HB THR 68 HB THR 68 -0.423 -0.971 9.140 438 HG1 THR 68 HG1 THR 68 -0.981 -2.636 7.811 439 HG21 THR 68 HG21 THR 68 -1.386 -0.743 11.374 440 HG22 THR 68 HG22 THR 68 -0.653 -2.336 11.174 441 HG23 THR 68 HG23 THR 68 -2.405 -2.153 11.089 442 H LYS 69 HN LYS 69 -1.178 1.346 7.889 443 HA LYS 69 HA LYS 69 -1.066 3.058 10.144 444 HB2 LYS 69 HB2 LYS 69 -0.597 3.743 7.254 445 HB3 LYS 69 HB1 LYS 69 0.043 4.580 8.660 446 HG2 LYS 69 HG2 LYS 69 1.178 2.389 9.249 447 HG3 LYS 69 HG1 LYS 69 0.747 1.861 7.629 448 HD2 LYS 69 HD2 LYS 69 2.982 2.680 7.534 449 HD3 LYS 69 HD1 LYS 69 1.947 3.850 6.720 450 HE2 LYS 69 HE2 LYS 69 2.562 4.206 9.610 451 HE3 LYS 69 HE1 LYS 69 3.786 4.626 8.417 452 HZ1 LYS 69 HZ1 LYS 69 1.078 5.794 8.719 453 HZ2 LYS 69 HZ2 LYS 69 2.042 6.055 7.358 454 HZ3 LYS 69 HZ3 LYS 69 2.567 6.574 8.875 455 H VAL 70 HN VAL 70 -3.255 2.815 7.415 456 HA VAL 70 HA VAL 70 -4.455 5.393 7.959 457 HB VAL 70 HB VAL 70 -5.935 4.999 6.130 458 HG11 VAL 70 HG11 VAL 70 -3.864 5.687 5.327 459 HG12 VAL 70 HG12 VAL 70 -4.253 4.282 4.336 460 HG13 VAL 70 HG13 VAL 70 -3.110 4.131 5.666 461 HG21 VAL 70 HG21 VAL 70 -6.007 2.866 4.900 462 HG22 VAL 70 HG22 VAL 70 -6.593 2.710 6.556 463 HG23 VAL 70 HG23 VAL 70 -4.978 2.140 6.135 464 H GLY 71 HN GLY 71 -4.600 2.617 9.588 465 HA2 GLY 71 HA2 GLY 71 -5.986 2.338 11.474 466 HA3 GLY 71 HA1 GLY 71 -7.199 3.347 10.703 467 H GLN 72 HN GLN 72 -5.829 0.932 8.722 468 HA GLN 72 HA GLN 72 -8.095 -0.869 9.255 469 HB2 GLN 72 HB2 GLN 72 -8.479 0.415 7.186 470 HB3 GLN 72 HB1 GLN 72 -6.928 -0.125 6.564 471 HG2 GLN 72 HG2 GLN 72 -8.502 -1.483 5.513 472 HG3 GLN 72 HG1 GLN 72 -7.835 -2.486 6.800 473 HE21 GLN 72 HE21 GLN 72 -10.580 -0.731 5.666 474 HE22 GLN 72 HE22 GLN 72 -11.729 -1.395 6.773 475 HA PRO 73 HA PRO 73 -4.174 -3.172 9.682 476 HB2 PRO 73 HB2 PRO 73 -5.134 -5.032 11.414 477 HB3 PRO 73 HB1 PRO 73 -4.515 -3.456 11.916 478 HG2 PRO 73 HG2 PRO 73 -7.335 -4.375 11.604 479 HG3 PRO 73 HG1 PRO 73 -6.637 -3.284 12.813 480 HD2 PRO 73 HD2 PRO 73 -8.074 -2.439 10.640 481 HD3 PRO 73 HD1 PRO 73 -6.840 -1.453 11.449 482 H LYS 74 HN LYS 74 -4.135 -3.987 7.662 483 HA LYS 74 HA LYS 74 -5.703 -6.410 7.128 484 HB2 LYS 74 HB2 LYS 74 -4.281 -4.506 5.260 485 HB3 LYS 74 HB1 LYS 74 -4.912 -6.062 4.744 486 HG2 LYS 74 HG2 LYS 74 -6.530 -3.792 5.884 487 HG3 LYS 74 HG1 LYS 74 -6.440 -4.259 4.184 488 HD2 LYS 74 HD2 LYS 74 -7.293 -6.520 4.861 489 HD3 LYS 74 HD1 LYS 74 -7.569 -5.858 6.471 490 HE2 LYS 74 HE2 LYS 74 -9.077 -4.182 5.517 491 HE3 LYS 74 HE1 LYS 74 -8.806 -4.864 3.915 492 HZ1 LYS 74 HZ1 LYS 74 -9.740 -6.961 4.705 493 HZ2 LYS 74 HZ2 LYS 74 -10.851 -5.697 4.843 494 HZ3 LYS 74 HZ3 LYS 74 -10.050 -6.265 6.216 495 H THR 75 HN THR 75 -4.702 -8.309 6.712 496 HA THR 75 HA THR 75 -1.897 -8.473 7.441 497 HB THR 75 HB THR 75 -2.264 -10.952 7.159 498 HG1 THR 75 HG1 THR 75 -4.955 -10.069 6.739 499 HG21 THR 75 HG21 THR 75 -2.443 -9.901 9.346 500 HG22 THR 75 HG22 THR 75 -3.648 -11.177 9.180 501 HG23 THR 75 HG23 THR 75 -4.127 -9.487 9.029 502 H LEU 76 HN LEU 76 -0.331 -9.564 6.113 503 HA LEU 76 HA LEU 76 -0.312 -8.735 3.428 504 HB2 LEU 76 HB2 LEU 76 1.703 -9.216 4.811 505 HB3 LEU 76 HB1 LEU 76 1.326 -10.924 4.711 506 HG LEU 76 HG LEU 76 1.649 -10.861 2.280 507 HD11 LEU 76 HD11 LEU 76 1.003 -8.569 1.844 508 HD12 LEU 76 HD12 LEU 76 2.635 -8.862 1.243 509 HD13 LEU 76 HD13 LEU 76 2.395 -7.980 2.752 510 HD21 LEU 76 HD21 LEU 76 3.946 -9.711 3.857 511 HD22 LEU 76 HD22 LEU 76 4.074 -10.521 2.297 512 HD23 LEU 76 HD23 LEU 76 3.532 -11.419 3.713 513 H ASN 77 HN ASN 77 -1.288 -11.679 5.011 514 HA ASN 77 HA ASN 77 -1.628 -13.403 2.854 515 HB2 ASN 77 HB2 ASN 77 -1.896 -13.998 5.264 516 HB3 ASN 77 HB1 ASN 77 -3.427 -13.136 5.275 517 HD21 ASN 77 HD21 ASN 77 -4.642 -14.910 5.787 518 HD22 ASN 77 HD22 ASN 77 -4.902 -16.228 4.697 519 H GLU 78 HN GLU 78 -3.873 -11.001 4.203 520 HA GLU 78 HA GLU 78 -5.998 -11.430 2.412 521 HB2 GLU 78 HB2 GLU 78 -5.138 -9.028 4.011 522 HB3 GLU 78 HB1 GLU 78 -6.556 -8.987 2.976 523 HG2 GLU 78 HG2 GLU 78 -7.650 -10.643 4.260 524 HG3 GLU 78 HG1 GLU 78 -6.176 -11.013 5.149 525 H ILE 79 HN ILE 79 -3.288 -9.147 2.308 526 HA ILE 79 HA ILE 79 -4.073 -7.797 -0.017 527 HB ILE 79 HB ILE 79 -1.246 -8.224 0.961 528 HG12 ILE 79 HG12 ILE 79 -2.630 -7.293 2.738 529 HG13 ILE 79 HG11 ILE 79 -1.545 -6.056 2.118 530 HG21 ILE 79 HG21 ILE 79 -1.350 -7.371 -1.320 531 HG22 ILE 79 HG22 ILE 79 -0.759 -6.132 -0.214 532 HG23 ILE 79 HG23 ILE 79 -2.423 -6.073 -0.796 533 HD11 ILE 79 HD11 ILE 79 -3.731 -5.127 2.523 534 HD12 ILE 79 HD12 ILE 79 -4.471 -6.345 1.485 535 HD13 ILE 79 HD13 ILE 79 -3.396 -5.132 0.790 536 H LYS 80 HN LYS 80 -1.881 -10.570 0.403 537 HA LYS 80 HA LYS 80 -1.233 -10.884 -2.317 538 HB2 LYS 80 HB2 LYS 80 -1.323 -12.932 -0.101 539 HB3 LYS 80 HB1 LYS 80 -0.630 -13.220 -1.690 540 HG2 LYS 80 HG2 LYS 80 0.866 -11.215 -1.199 541 HG3 LYS 80 HG1 LYS 80 0.342 -11.395 0.476 542 HD2 LYS 80 HD2 LYS 80 1.168 -13.675 0.519 543 HD3 LYS 80 HD1 LYS 80 1.624 -13.566 -1.182 544 HE2 LYS 80 HE2 LYS 80 3.156 -11.690 -0.560 545 HE3 LYS 80 HE1 LYS 80 2.796 -12.033 1.130 546 HZ1 LYS 80 HZ1 LYS 80 3.657 -14.278 0.804 547 HZ2 LYS 80 HZ2 LYS 80 4.832 -13.114 0.456 548 HZ3 LYS 80 HZ3 LYS 80 4.036 -13.912 -0.804 549 H ARG 81 HN ARG 81 -3.871 -12.137 -0.375 550 HA ARG 81 HA ARG 81 -4.917 -13.897 -2.341 551 HB2 ARG 81 HB2 ARG 81 -5.520 -14.123 0.013 552 HB3 ARG 81 HB1 ARG 81 -6.292 -12.544 -0.013 553 HG2 ARG 81 HG2 ARG 81 -7.960 -14.281 -0.133 554 HG3 ARG 81 HG1 ARG 81 -7.919 -13.385 -1.650 555 HD2 ARG 81 HD2 ARG 81 -8.092 -15.790 -2.049 556 HD3 ARG 81 HD1 ARG 81 -6.574 -15.144 -2.669 557 HE ARG 81 HE ARG 81 -6.792 -16.589 -0.107 558 HH11 ARG 81 HH11 ARG 81 -5.102 -15.913 -3.114 559 HH12 ARG 81 HH12 ARG 81 -3.800 -17.002 -2.761 560 HH21 ARG 81 HH21 ARG 81 -5.092 -18.023 0.341 561 HH22 ARG 81 HH22 ARG 81 -3.793 -18.200 -0.794 562 H ILE 82 HN ILE 82 -5.660 -10.569 -1.436 563 HA ILE 82 HA ILE 82 -7.804 -10.202 -3.223 564 HB ILE 82 HB ILE 82 -5.915 -8.185 -2.004 565 HG12 ILE 82 HG12 ILE 82 -8.748 -8.880 -1.216 566 HG13 ILE 82 HG11 ILE 82 -7.337 -9.630 -0.481 567 HG21 ILE 82 HG21 ILE 82 -7.000 -7.275 -4.005 568 HG22 ILE 82 HG22 ILE 82 -7.585 -6.495 -2.536 569 HG23 ILE 82 HG23 ILE 82 -8.577 -7.710 -3.344 570 HD11 ILE 82 HD11 ILE 82 -8.035 -6.704 -0.417 571 HD12 ILE 82 HD12 ILE 82 -6.586 -7.427 0.283 572 HD13 ILE 82 HD13 ILE 82 -8.176 -7.854 0.916 573 H LEU 83 HN LEU 83 -4.325 -9.775 -3.570 574 HA LEU 83 HA LEU 83 -4.521 -8.622 -6.198 575 HB2 LEU 83 HB2 LEU 83 -2.194 -9.729 -4.634 576 HB3 LEU 83 HB1 LEU 83 -2.036 -9.017 -6.228 577 HG LEU 83 HG LEU 83 -3.069 -7.561 -3.793 578 HD11 LEU 83 HD11 LEU 83 -0.924 -6.387 -3.843 579 HD12 LEU 83 HD12 LEU 83 -0.381 -7.432 -5.155 580 HD13 LEU 83 HD13 LEU 83 -0.708 -8.114 -3.561 581 HD21 LEU 83 HD21 LEU 83 -3.995 -6.648 -5.817 582 HD22 LEU 83 HD22 LEU 83 -2.410 -6.642 -6.587 583 HD23 LEU 83 HD23 LEU 83 -2.733 -5.565 -5.230 584 H SER 84 HN SER 84 -4.371 -11.822 -4.890 585 HA SER 84 HA SER 84 -4.528 -12.932 -7.560 586 HB2 SER 84 HB2 SER 84 -2.058 -12.706 -6.922 587 HB3 SER 84 HB1 SER 84 -2.367 -13.952 -5.718 588 HG SER 84 HG SER 84 -2.462 -15.411 -7.235 Start of MODEL 14 1 H1 LYS 15 HT1 LYS 15 18.089 -7.857 12.118 2 H2 LYS 15 HT2 LYS 15 17.326 -6.447 11.585 3 H3 LYS 15 HT3 LYS 15 18.457 -6.371 12.835 4 HA LYS 15 HA LYS 15 20.218 -7.016 11.354 5 HB2 LYS 15 HB2 LYS 15 19.805 -7.258 8.965 6 HB3 LYS 15 HB1 LYS 15 18.817 -8.408 9.851 7 HG2 LYS 15 HG2 LYS 15 16.869 -7.004 9.564 8 HG3 LYS 15 HG1 LYS 15 17.845 -5.771 8.767 9 HD2 LYS 15 HD2 LYS 15 17.416 -8.582 7.756 10 HD3 LYS 15 HD1 LYS 15 16.564 -7.152 7.174 11 HE2 LYS 15 HE2 LYS 15 19.535 -7.650 7.009 12 HE3 LYS 15 HE1 LYS 15 18.388 -7.755 5.677 13 HZ1 LYS 15 HZ1 LYS 15 19.060 -5.298 7.205 14 HZ2 LYS 15 HZ2 LYS 15 17.924 -5.384 5.961 15 HZ3 LYS 15 HZ3 LYS 15 19.569 -5.661 5.632 16 HA PRO 16 HA PRO 16 20.665 -2.639 10.538 17 HB2 PRO 16 HB2 PRO 16 22.483 -2.692 8.488 18 HB3 PRO 16 HB1 PRO 16 22.920 -2.906 10.186 19 HG2 PRO 16 HG2 PRO 16 22.484 -4.971 8.066 20 HG3 PRO 16 HG1 PRO 16 23.752 -4.889 9.304 21 HD2 PRO 16 HD2 PRO 16 21.619 -6.501 9.574 22 HD3 PRO 16 HD1 PRO 16 22.350 -5.684 10.971 23 H GLU 17 HN GLU 17 19.011 -1.621 9.591 24 HA GLU 17 HA GLU 17 18.080 -2.536 6.984 25 HB2 GLU 17 HB2 GLU 17 16.842 -0.806 9.111 26 HB3 GLU 17 HB1 GLU 17 16.141 -0.960 7.505 27 HG2 GLU 17 HG2 GLU 17 16.676 -3.261 9.368 28 HG3 GLU 17 HG1 GLU 17 15.117 -2.460 9.171 29 H VAL 18 HN VAL 18 20.502 -0.872 7.468 30 HA VAL 18 HA VAL 18 19.985 1.574 6.047 31 HB VAL 18 HB VAL 18 21.904 1.334 7.603 32 HG11 VAL 18 HG11 VAL 18 22.500 -0.966 7.168 33 HG12 VAL 18 HG12 VAL 18 23.895 0.077 6.890 34 HG13 VAL 18 HG13 VAL 18 22.983 -0.560 5.522 35 HG21 VAL 18 HG21 VAL 18 21.990 3.054 5.888 36 HG22 VAL 18 HG22 VAL 18 22.709 1.910 4.755 37 HG23 VAL 18 HG23 VAL 18 23.598 2.401 6.197 38 H GLU 19 HN GLU 19 20.142 -1.651 5.259 39 HA GLU 19 HA GLU 19 21.181 -1.360 2.578 40 HB2 GLU 19 HB2 GLU 19 19.772 -3.721 3.818 41 HB3 GLU 19 HB1 GLU 19 20.782 -3.727 2.382 42 HG2 GLU 19 HG2 GLU 19 22.734 -3.210 3.729 43 HG3 GLU 19 HG1 GLU 19 21.728 -3.144 5.177 44 H HIS 20 HN HIS 20 19.952 -1.722 0.690 45 HA HIS 20 HA HIS 20 18.176 -1.628 -0.713 46 HB2 HIS 20 HB2 HIS 20 16.541 -2.223 1.760 47 HB3 HIS 20 HB1 HIS 20 15.882 -2.139 0.131 48 HD1 HIS 20 HD1 HIS 20 16.836 -4.561 2.471 49 HD2 HIS 20 HD2 HIS 20 17.547 -4.086 -1.598 50 HE1 HIS 20 HE1 HIS 20 17.437 -6.849 1.614 51 HE2 HIS 20 HE2 HIS 20 17.908 -6.530 -0.837 52 H THR 21 HN THR 21 16.562 -0.149 -1.438 53 HA THR 21 HA THR 21 16.938 2.463 -0.295 54 HB THR 21 HB THR 21 15.475 3.207 -2.200 55 HG1 THR 21 HG1 THR 21 14.909 1.688 -3.754 56 HG21 THR 21 HG21 THR 21 17.871 1.511 -2.904 57 HG22 THR 21 HG22 THR 21 17.910 3.198 -2.389 58 HG23 THR 21 HG23 THR 21 17.160 2.760 -3.925 59 H HIS 22 HN HIS 22 15.917 2.198 1.735 60 HA HIS 22 HA HIS 22 13.189 1.411 1.912 61 HB2 HIS 22 HB2 HIS 22 13.285 2.120 4.256 62 HB3 HIS 22 HB1 HIS 22 14.641 1.096 3.828 63 HD1 HIS 22 HD1 HIS 22 13.776 4.514 5.004 64 HD2 HIS 22 HD2 HIS 22 17.161 2.385 3.858 65 HE1 HIS 22 HE1 HIS 22 15.734 5.891 5.768 66 HE2 HIS 22 HE2 HIS 22 17.768 4.647 4.956 67 H SER 23 HN SER 23 14.774 4.383 1.243 68 HA SER 23 HA SER 23 12.712 6.185 1.917 69 HB2 SER 23 HB2 SER 23 13.818 7.615 0.118 70 HB3 SER 23 HB1 SER 23 14.879 7.061 1.414 71 HG SER 23 HG SER 23 16.046 6.186 -0.087 72 H GLU 24 HN GLU 24 13.413 4.358 -1.031 73 HA GLU 24 HA GLU 24 11.284 5.426 -2.554 74 HB2 GLU 24 HB2 GLU 24 12.778 2.820 -2.887 75 HB3 GLU 24 HB1 GLU 24 11.711 3.538 -4.088 76 HG2 GLU 24 HG2 GLU 24 13.204 5.524 -4.129 77 HG3 GLU 24 HG1 GLU 24 14.308 4.655 -3.068 78 H ARG 25 HN ARG 25 11.603 2.509 -0.560 79 HA ARG 25 HA ARG 25 9.000 1.559 -1.177 80 HB2 ARG 25 HB2 ARG 25 9.390 -0.159 0.305 81 HB3 ARG 25 HB1 ARG 25 11.030 0.304 -0.108 82 HG2 ARG 25 HG2 ARG 25 11.275 1.487 1.965 83 HG3 ARG 25 HG1 ARG 25 9.577 1.221 2.361 84 HD2 ARG 25 HD2 ARG 25 11.687 -0.912 2.042 85 HD3 ARG 25 HD1 ARG 25 10.995 -0.353 3.564 86 HE ARG 25 HE ARG 25 8.947 -1.242 1.821 87 HH11 ARG 25 HH11 ARG 25 11.513 -2.463 3.877 88 HH12 ARG 25 HH12 ARG 25 10.727 -3.981 4.161 89 HH21 ARG 25 HH21 ARG 25 7.922 -3.236 2.178 90 HH22 ARG 25 HH22 ARG 25 8.692 -4.424 3.196 91 H GLU 26 HN GLU 26 10.312 3.633 1.344 92 HA GLU 26 HA GLU 26 8.035 3.790 2.970 93 HB2 GLU 26 HB2 GLU 26 10.183 4.485 3.773 94 HB3 GLU 26 HB1 GLU 26 10.314 5.709 2.520 95 HG2 GLU 26 HG2 GLU 26 8.579 7.002 3.516 96 HG3 GLU 26 HG1 GLU 26 8.241 5.731 4.693 97 H LYS 27 HN LYS 27 9.073 5.855 0.254 98 HA LYS 27 HA LYS 27 6.978 7.712 0.538 99 HB2 LYS 27 HB2 LYS 27 7.494 8.440 -1.737 100 HB3 LYS 27 HB1 LYS 27 8.958 8.226 -0.792 101 HG2 LYS 27 HG2 LYS 27 9.316 6.051 -1.881 102 HG3 LYS 27 HG1 LYS 27 7.878 6.328 -2.865 103 HD2 LYS 27 HD2 LYS 27 10.263 8.173 -2.815 104 HD3 LYS 27 HD1 LYS 27 10.050 6.878 -3.992 105 HE2 LYS 27 HE2 LYS 27 8.072 9.110 -3.562 106 HE3 LYS 27 HE1 LYS 27 9.340 9.141 -4.783 107 HZ1 LYS 27 HZ1 LYS 27 7.174 7.113 -4.611 108 HZ2 LYS 27 HZ2 LYS 27 8.376 7.174 -5.796 109 HZ3 LYS 27 HZ3 LYS 27 7.223 8.407 -5.697 110 H ARG 28 HN ARG 28 7.158 4.609 -1.064 111 HA ARG 28 HA ARG 28 4.722 4.825 -2.496 112 HB2 ARG 28 HB2 ARG 28 6.171 2.381 -1.472 113 HB3 ARG 28 HB1 ARG 28 4.800 2.344 -2.568 114 HG2 ARG 28 HG2 ARG 28 6.116 3.646 -4.200 115 HG3 ARG 28 HG1 ARG 28 7.501 3.540 -3.111 116 HD2 ARG 28 HD2 ARG 28 6.046 1.241 -4.407 117 HD3 ARG 28 HD1 ARG 28 7.654 1.829 -4.815 118 HE ARG 28 HE ARG 28 7.211 0.896 -2.084 119 HH11 ARG 28 HH11 ARG 28 8.559 0.310 -5.258 120 HH12 ARG 28 HH12 ARG 28 9.585 -0.983 -4.726 121 HH21 ARG 28 HH21 ARG 28 8.539 -0.802 -1.370 122 HH22 ARG 28 HH22 ARG 28 9.577 -1.619 -2.510 123 H VAL 29 HN VAL 29 5.543 3.501 0.693 124 HA VAL 29 HA VAL 29 2.960 2.670 1.408 125 HB VAL 29 HB VAL 29 5.183 3.669 3.205 126 HG11 VAL 29 HG11 VAL 29 3.012 3.726 4.337 127 HG12 VAL 29 HG12 VAL 29 4.047 2.465 5.003 128 HG13 VAL 29 HG13 VAL 29 2.738 2.039 3.901 129 HG21 VAL 29 HG21 VAL 29 4.415 0.869 2.382 130 HG22 VAL 29 HG22 VAL 29 5.673 1.292 3.544 131 HG23 VAL 29 HG23 VAL 29 5.844 1.755 1.850 132 H SER 30 HN SER 30 4.644 5.755 1.936 133 HA SER 30 HA SER 30 2.585 7.014 3.368 134 HB2 SER 30 HB2 SER 30 4.702 8.270 1.609 135 HB3 SER 30 HB1 SER 30 3.761 9.102 2.848 136 HG SER 30 HG SER 30 6.024 8.007 3.246 137 H ASN 31 HN ASN 31 3.308 6.998 -0.116 138 HA ASN 31 HA ASN 31 1.237 8.721 -0.903 139 HB2 ASN 31 HB2 ASN 31 2.738 6.548 -2.345 140 HB3 ASN 31 HB1 ASN 31 1.436 7.435 -3.128 141 HD21 ASN 31 HD21 ASN 31 4.295 7.338 -3.725 142 HD22 ASN 31 HD22 ASN 31 4.839 8.978 -3.675 143 H ALA 32 HN ALA 32 1.316 5.281 -0.287 144 HA ALA 32 HA ALA 32 -1.314 4.736 -1.210 145 HB1 ALA 32 HB1 ALA 32 0.418 3.235 0.746 146 HB2 ALA 32 HB2 ALA 32 0.317 2.962 -0.994 147 HB3 ALA 32 HB3 ALA 32 -1.076 2.628 0.033 148 H VAL 33 HN VAL 33 0.071 5.462 1.972 149 HA VAL 33 HA VAL 33 -2.259 5.140 3.499 150 HB VAL 33 HB VAL 33 0.096 6.991 3.960 151 HG11 VAL 33 HG11 VAL 33 -2.056 6.118 5.886 152 HG12 VAL 33 HG12 VAL 33 -1.790 7.755 5.285 153 HG13 VAL 33 HG13 VAL 33 -0.586 6.989 6.326 154 HG21 VAL 33 HG21 VAL 33 0.883 5.253 5.465 155 HG22 VAL 33 HG22 VAL 33 0.679 4.621 3.832 156 HG23 VAL 33 HG23 VAL 33 -0.520 4.262 5.075 157 H GLU 34 HN GLU 34 -0.916 8.005 1.901 158 HA GLU 34 HA GLU 34 -2.972 9.749 2.768 159 HB2 GLU 34 HB2 GLU 34 -2.000 11.363 1.284 160 HB3 GLU 34 HB1 GLU 34 -0.707 10.456 2.051 161 HG2 GLU 34 HG2 GLU 34 -0.419 9.130 0.052 162 HG3 GLU 34 HG1 GLU 34 -1.730 10.008 -0.732 163 H PHE 35 HN PHE 35 -2.582 7.702 -0.069 164 HA PHE 35 HA PHE 35 -4.835 8.736 -1.485 165 HB2 PHE 35 HB2 PHE 35 -3.134 7.562 -2.719 166 HB3 PHE 35 HB1 PHE 35 -3.309 6.133 -1.708 167 HD1 PHE 35 HD1 PHE 35 -4.882 4.465 -2.227 168 HD2 PHE 35 HD2 PHE 35 -5.006 8.201 -4.262 169 HE1 PHE 35 HE1 PHE 35 -6.512 3.537 -3.817 170 HE2 PHE 35 HE2 PHE 35 -6.645 7.282 -5.853 171 HZ PHE 35 HZ PHE 35 -7.400 4.948 -5.630 172 H LEU 36 HN LEU 36 -4.324 5.971 0.668 173 HA LEU 36 HA LEU 36 -6.911 4.876 0.424 174 HB2 LEU 36 HB2 LEU 36 -4.864 4.701 2.612 175 HB3 LEU 36 HB1 LEU 36 -6.335 3.754 2.600 176 HG LEU 36 HG LEU 36 -4.165 3.624 0.505 177 HD11 LEU 36 HD11 LEU 36 -3.405 2.729 2.628 178 HD12 LEU 36 HD12 LEU 36 -3.671 1.427 1.469 179 HD13 LEU 36 HD13 LEU 36 -4.852 1.727 2.744 180 HD21 LEU 36 HD21 LEU 36 -5.371 1.639 -0.275 181 HD22 LEU 36 HD22 LEU 36 -6.353 3.097 -0.407 182 HD23 LEU 36 HD23 LEU 36 -6.643 1.955 0.906 183 H LEU 37 HN LEU 37 -5.622 7.442 2.382 184 HA LEU 37 HA LEU 37 -7.917 7.488 4.137 185 HB2 LEU 37 HB2 LEU 37 -5.346 8.982 3.964 186 HB3 LEU 37 HB1 LEU 37 -6.675 9.687 4.868 187 HG LEU 37 HG LEU 37 -5.458 6.977 5.391 188 HD11 LEU 37 HD11 LEU 37 -4.591 8.005 7.429 189 HD12 LEU 37 HD12 LEU 37 -5.238 9.565 6.920 190 HD13 LEU 37 HD13 LEU 37 -3.950 8.799 5.990 191 HD21 LEU 37 HD21 LEU 37 -7.647 8.538 6.740 192 HD22 LEU 37 HD22 LEU 37 -6.849 7.140 7.466 193 HD23 LEU 37 HD23 LEU 37 -7.770 6.956 5.972 194 H ASP 38 HN ASP 38 -7.636 8.405 1.070 195 HA ASP 38 HA ASP 38 -8.719 11.043 1.220 196 HB2 ASP 38 HB2 ASP 38 -7.472 10.072 -0.771 197 HB3 ASP 38 HB1 ASP 38 -8.917 9.143 -1.124 198 H SER 39 HN SER 39 -10.819 11.667 1.285 199 HA SER 39 HA SER 39 -12.727 10.047 2.434 200 HB2 SER 39 HB2 SER 39 -13.296 12.445 0.685 201 HB3 SER 39 HB1 SER 39 -14.297 11.827 2.000 202 HG SER 39 HG SER 39 -12.694 13.693 2.329 203 H ARG 40 HN ARG 40 -12.142 10.650 -0.988 204 HA ARG 40 HA ARG 40 -14.487 9.358 -1.953 205 HB2 ARG 40 HB2 ARG 40 -11.831 9.886 -3.292 206 HB3 ARG 40 HB1 ARG 40 -13.282 9.338 -4.121 207 HG2 ARG 40 HG2 ARG 40 -14.388 11.369 -3.765 208 HG3 ARG 40 HG1 ARG 40 -13.233 11.877 -2.531 209 HD2 ARG 40 HD2 ARG 40 -12.585 11.477 -5.445 210 HD3 ARG 40 HD1 ARG 40 -12.917 13.036 -4.691 211 HE ARG 40 HE ARG 40 -10.893 11.933 -3.192 212 HH11 ARG 40 HH11 ARG 40 -11.328 12.685 -6.584 213 HH12 ARG 40 HH12 ARG 40 -9.657 13.070 -6.844 214 HH21 ARG 40 HH21 ARG 40 -8.695 12.436 -3.517 215 HH22 ARG 40 HH22 ARG 40 -8.155 12.935 -5.096 216 H VAL 41 HN VAL 41 -11.164 8.308 -1.409 217 HA VAL 41 HA VAL 41 -11.513 5.728 -2.567 218 HB VAL 41 HB VAL 41 -9.358 6.720 -0.690 219 HG11 VAL 41 HG11 VAL 41 -9.462 4.279 -0.744 220 HG12 VAL 41 HG12 VAL 41 -8.014 4.868 -1.561 221 HG13 VAL 41 HG13 VAL 41 -9.394 4.310 -2.506 222 HG21 VAL 41 HG21 VAL 41 -9.519 8.032 -2.747 223 HG22 VAL 41 HG22 VAL 41 -9.418 6.552 -3.701 224 HG23 VAL 41 HG23 VAL 41 -8.045 7.063 -2.720 225 H ARG 42 HN ARG 42 -11.946 7.076 0.615 226 HA ARG 42 HA ARG 42 -12.147 4.687 2.086 227 HB2 ARG 42 HB2 ARG 42 -13.688 7.257 2.495 228 HB3 ARG 42 HB1 ARG 42 -13.490 5.981 3.685 229 HG2 ARG 42 HG2 ARG 42 -11.080 6.392 3.728 230 HG3 ARG 42 HG1 ARG 42 -11.285 7.677 2.535 231 HD2 ARG 42 HD2 ARG 42 -12.820 8.817 4.137 232 HD3 ARG 42 HD1 ARG 42 -12.400 7.593 5.331 233 HE ARG 42 HE ARG 42 -10.310 9.277 4.127 234 HH11 ARG 42 HH11 ARG 42 -12.062 8.155 6.946 235 HH12 ARG 42 HH12 ARG 42 -10.999 8.940 8.070 236 HH21 ARG 42 HH21 ARG 42 -8.927 10.322 5.605 237 HH22 ARG 42 HH22 ARG 42 -9.222 10.169 7.311 238 H ARG 43 HN ARG 43 -14.210 6.086 -0.286 239 HA ARG 43 HA ARG 43 -16.542 4.559 0.542 240 HB2 ARG 43 HB2 ARG 43 -16.105 6.475 -1.753 241 HB3 ARG 43 HB1 ARG 43 -17.632 5.673 -1.411 242 HG2 ARG 43 HG2 ARG 43 -16.201 7.550 0.458 243 HG3 ARG 43 HG1 ARG 43 -17.570 7.975 -0.571 244 HD2 ARG 43 HD2 ARG 43 -18.969 6.366 0.585 245 HD3 ARG 43 HD1 ARG 43 -17.602 5.852 1.569 246 HE ARG 43 HE ARG 43 -17.975 8.612 1.902 247 HH11 ARG 43 HH11 ARG 43 -19.522 5.574 2.644 248 HH12 ARG 43 HH12 ARG 43 -20.293 6.160 4.083 249 HH21 ARG 43 HH21 ARG 43 -18.981 9.405 3.801 250 HH22 ARG 43 HH22 ARG 43 -19.977 8.348 4.746 251 H THR 44 HN THR 44 -13.885 4.212 -1.630 252 HA THR 44 HA THR 44 -15.241 2.321 -3.331 253 HB THR 44 HB THR 44 -12.860 1.821 -4.111 254 HG1 THR 44 HG1 THR 44 -12.233 3.274 -2.021 255 HG21 THR 44 HG21 THR 44 -13.925 4.625 -4.403 256 HG22 THR 44 HG22 THR 44 -14.393 3.231 -5.375 257 HG23 THR 44 HG23 THR 44 -12.747 3.858 -5.468 258 HA PRO 45 HA PRO 45 -14.598 -1.340 -0.942 259 HB2 PRO 45 HB2 PRO 45 -13.983 -3.140 -2.921 260 HB3 PRO 45 HB1 PRO 45 -15.623 -2.617 -2.531 261 HG2 PRO 45 HG2 PRO 45 -13.803 -1.690 -4.709 262 HG3 PRO 45 HG1 PRO 45 -15.551 -1.987 -4.755 263 HD2 PRO 45 HD2 PRO 45 -14.518 0.497 -4.585 264 HD3 PRO 45 HD1 PRO 45 -16.048 0.058 -3.804 265 H THR 46 HN THR 46 -12.978 -2.734 -0.173 266 HA THR 46 HA THR 46 -10.418 -1.633 -0.029 267 HB THR 46 HB THR 46 -10.892 -4.539 0.452 268 HG1 THR 46 HG1 THR 46 -12.190 -4.115 2.149 269 HG21 THR 46 HG21 THR 46 -9.460 -2.427 2.049 270 HG22 THR 46 HG22 THR 46 -8.686 -3.544 0.928 271 HG23 THR 46 HG23 THR 46 -9.474 -4.156 2.384 272 H SER 47 HN SER 47 -11.699 -4.275 -2.002 273 HA SER 47 HA SER 47 -9.298 -5.265 -3.003 274 HB2 SER 47 HB2 SER 47 -11.923 -5.137 -4.499 275 HB3 SER 47 HB1 SER 47 -10.619 -6.303 -4.733 276 HG SER 47 HG SER 47 -11.116 -7.277 -2.846 277 H SER 48 HN SER 48 -11.348 -2.635 -4.207 278 HA SER 48 HA SER 48 -9.914 -2.065 -6.536 279 HB2 SER 48 HB2 SER 48 -11.601 -0.317 -4.745 280 HB3 SER 48 HB1 SER 48 -11.009 0.162 -6.325 281 HG SER 48 HG SER 48 -12.910 -0.673 -6.845 282 H LYS 49 HN LYS 49 -9.655 -0.797 -3.244 283 HA LYS 49 HA LYS 49 -7.699 1.146 -3.664 284 HB2 LYS 49 HB2 LYS 49 -7.968 -0.621 -1.231 285 HB3 LYS 49 HB1 LYS 49 -7.213 0.962 -1.295 286 HG2 LYS 49 HG2 LYS 49 -9.364 1.987 -1.753 287 HG3 LYS 49 HG1 LYS 49 -10.134 0.397 -1.748 288 HD2 LYS 49 HD2 LYS 49 -9.248 0.126 0.610 289 HD3 LYS 49 HD1 LYS 49 -8.841 1.842 0.557 290 HE2 LYS 49 HE2 LYS 49 -11.189 2.369 0.087 291 HE3 LYS 49 HE1 LYS 49 -11.582 0.651 0.174 292 HZ1 LYS 49 HZ1 LYS 49 -10.831 0.665 2.489 293 HZ2 LYS 49 HZ2 LYS 49 -12.107 1.742 2.243 294 HZ3 LYS 49 HZ3 LYS 49 -10.528 2.324 2.393 295 H VAL 50 HN VAL 50 -7.376 -2.268 -2.771 296 HA VAL 50 HA VAL 50 -4.547 -2.240 -2.584 297 HB VAL 50 HB VAL 50 -6.355 -4.598 -3.142 298 HG11 VAL 50 HG11 VAL 50 -4.027 -5.086 -3.647 299 HG12 VAL 50 HG12 VAL 50 -4.540 -5.941 -2.194 300 HG13 VAL 50 HG13 VAL 50 -3.544 -4.494 -2.060 301 HG21 VAL 50 HG21 VAL 50 -5.336 -3.486 -0.529 302 HG22 VAL 50 HG22 VAL 50 -6.242 -4.987 -0.720 303 HG23 VAL 50 HG23 VAL 50 -7.003 -3.443 -1.104 304 H HIS 51 HN HIS 51 -6.743 -3.029 -5.242 305 HA HIS 51 HA HIS 51 -4.762 -3.975 -7.035 306 HB2 HIS 51 HB2 HIS 51 -7.505 -2.800 -7.530 307 HB3 HIS 51 HB1 HIS 51 -6.492 -3.462 -8.805 308 HD1 HIS 51 HD1 HIS 51 -8.781 -5.013 -8.955 309 HD2 HIS 51 HD2 HIS 51 -6.168 -5.713 -5.801 310 HE1 HIS 51 HE1 HIS 51 -9.345 -7.311 -8.104 311 HE2 HIS 51 HE2 HIS 51 -7.648 -7.775 -6.297 312 H PHE 52 HN PHE 52 -6.080 -0.759 -6.401 313 HA PHE 52 HA PHE 52 -4.826 0.564 -8.557 314 HB2 PHE 52 HB2 PHE 52 -6.673 1.551 -7.242 315 HB3 PHE 52 HB1 PHE 52 -5.606 1.676 -5.850 316 HD1 PHE 52 HD1 PHE 52 -6.555 3.105 -9.046 317 HD2 PHE 52 HD2 PHE 52 -3.761 3.300 -5.843 318 HE1 PHE 52 HE1 PHE 52 -5.841 5.331 -9.810 319 HE2 PHE 52 HE2 PHE 52 -3.040 5.526 -6.604 320 HZ PHE 52 HZ PHE 52 -4.081 6.543 -8.586 321 H LEU 53 HN LEU 53 -3.869 0.091 -5.178 322 HA LEU 53 HA LEU 53 -1.471 1.538 -5.317 323 HB2 LEU 53 HB2 LEU 53 -2.233 -0.753 -3.511 324 HB3 LEU 53 HB1 LEU 53 -0.847 0.294 -3.271 325 HG LEU 53 HG LEU 53 -3.740 1.153 -3.220 326 HD11 LEU 53 HD11 LEU 53 -3.259 1.625 -0.840 327 HD12 LEU 53 HD12 LEU 53 -1.695 0.831 -1.035 328 HD13 LEU 53 HD13 LEU 53 -3.185 -0.088 -1.249 329 HD21 LEU 53 HD21 LEU 53 -2.857 3.324 -2.482 330 HD22 LEU 53 HD22 LEU 53 -2.346 2.918 -4.119 331 HD23 LEU 53 HD23 LEU 53 -1.218 2.744 -2.776 332 H LYS 54 HN LYS 54 -2.164 -1.877 -5.954 333 HA LYS 54 HA LYS 54 0.475 -2.727 -6.400 334 HB2 LYS 54 HB2 LYS 54 -1.414 -4.300 -6.278 335 HB3 LYS 54 HB1 LYS 54 -2.052 -3.653 -7.785 336 HG2 LYS 54 HG2 LYS 54 0.026 -4.379 -8.918 337 HG3 LYS 54 HG1 LYS 54 0.539 -5.137 -7.413 338 HD2 LYS 54 HD2 LYS 54 -0.414 -6.805 -8.861 339 HD3 LYS 54 HD1 LYS 54 -1.489 -6.551 -7.488 340 HE2 LYS 54 HE2 LYS 54 -2.965 -5.203 -8.827 341 HE3 LYS 54 HE1 LYS 54 -1.842 -5.250 -10.183 342 HZ1 LYS 54 HZ1 LYS 54 -3.361 -7.537 -9.057 343 HZ2 LYS 54 HZ2 LYS 54 -2.175 -7.680 -10.251 344 HZ3 LYS 54 HZ3 LYS 54 -3.588 -6.809 -10.567 345 H SER 55 HN SER 55 -1.902 -1.237 -8.533 346 HA SER 55 HA SER 55 -0.422 -1.311 -10.923 347 HB2 SER 55 HB2 SER 55 -2.811 -0.888 -10.931 348 HB3 SER 55 HB1 SER 55 -2.593 0.581 -9.984 349 HG SER 55 HG SER 55 -1.202 0.399 -12.397 350 H LYS 56 HN LYS 56 -0.223 0.718 -8.131 351 HA LYS 56 HA LYS 56 1.305 2.778 -9.464 352 HB2 LYS 56 HB2 LYS 56 0.269 2.344 -6.699 353 HB3 LYS 56 HB1 LYS 56 1.585 3.480 -6.945 354 HG2 LYS 56 HG2 LYS 56 -0.999 3.617 -8.472 355 HG3 LYS 56 HG1 LYS 56 -0.729 4.464 -6.946 356 HD2 LYS 56 HD2 LYS 56 1.108 5.702 -7.912 357 HD3 LYS 56 HD1 LYS 56 0.984 4.782 -9.411 358 HE2 LYS 56 HE2 LYS 56 -1.241 6.490 -8.319 359 HE3 LYS 56 HE1 LYS 56 -0.036 7.079 -9.461 360 HZ1 LYS 56 HZ1 LYS 56 -2.085 6.347 -10.548 361 HZ2 LYS 56 HZ2 LYS 56 -1.855 4.785 -9.951 362 HZ3 LYS 56 HZ3 LYS 56 -0.752 5.440 -11.051 363 H GLY 57 HN GLY 57 2.078 -0.244 -8.714 364 HA2 GLY 57 HA2 GLY 57 4.234 -1.117 -8.978 365 HA3 GLY 57 HA1 GLY 57 4.900 0.467 -8.617 366 H LEU 58 HN LEU 58 2.543 -0.342 -6.378 367 HA LEU 58 HA LEU 58 4.510 -0.657 -4.318 368 HB2 LEU 58 HB2 LEU 58 1.557 -0.439 -4.413 369 HB3 LEU 58 HB1 LEU 58 2.251 -1.238 -3.019 370 HG LEU 58 HG LEU 58 3.714 0.863 -2.784 371 HD11 LEU 58 HD11 LEU 58 3.277 1.837 -4.955 372 HD12 LEU 58 HD12 LEU 58 2.715 2.912 -3.675 373 HD13 LEU 58 HD13 LEU 58 1.556 1.942 -4.582 374 HD21 LEU 58 HD21 LEU 58 0.754 1.040 -2.306 375 HD22 LEU 58 HD22 LEU 58 2.010 1.961 -1.477 376 HD23 LEU 58 HD23 LEU 58 1.918 0.210 -1.273 377 H SER 59 HN SER 59 4.895 -2.398 -3.040 378 HA SER 59 HA SER 59 4.217 -4.994 -4.152 379 HB2 SER 59 HB2 SER 59 5.968 -4.313 -1.780 380 HB3 SER 59 HB1 SER 59 5.918 -5.846 -2.652 381 HG SER 59 HG SER 59 6.525 -4.446 -4.546 382 H ALA 60 HN ALA 60 3.481 -6.699 -2.577 383 HA ALA 60 HA ALA 60 1.070 -5.945 -1.397 384 HB1 ALA 60 HB1 ALA 60 2.713 -8.408 -0.822 385 HB2 ALA 60 HB2 ALA 60 1.557 -8.222 -2.142 386 HB3 ALA 60 HB3 ALA 60 0.997 -8.196 -0.470 387 H GLU 61 HN GLU 61 4.266 -6.318 -0.011 388 HA GLU 61 HA GLU 61 3.578 -6.101 2.709 389 HB2 GLU 61 HB2 GLU 61 6.114 -5.320 1.265 390 HB3 GLU 61 HB1 GLU 61 5.953 -5.442 3.012 391 HG2 GLU 61 HG2 GLU 61 5.723 -7.753 2.955 392 HG3 GLU 61 HG1 GLU 61 5.320 -7.764 1.239 393 H GLU 62 HN GLU 62 4.370 -3.659 0.279 394 HA GLU 62 HA GLU 62 4.484 -1.437 2.011 395 HB2 GLU 62 HB2 GLU 62 3.505 -1.221 -0.820 396 HB3 GLU 62 HB1 GLU 62 4.509 -0.099 0.086 397 HG2 GLU 62 HG2 GLU 62 5.362 -2.781 -0.960 398 HG3 GLU 62 HG1 GLU 62 5.761 -1.221 -1.667 399 H ILE 63 HN ILE 63 1.914 -2.829 0.060 400 HA ILE 63 HA ILE 63 -0.112 -0.982 0.675 401 HB ILE 63 HB ILE 63 -0.410 -3.903 -0.051 402 HG12 ILE 63 HG12 ILE 63 -0.362 -1.487 -1.873 403 HG13 ILE 63 HG11 ILE 63 1.006 -2.566 -1.627 404 HG21 ILE 63 HG21 ILE 63 -2.476 -2.978 0.778 405 HG22 ILE 63 HG22 ILE 63 -2.587 -3.181 -0.969 406 HG23 ILE 63 HG23 ILE 63 -2.315 -1.581 -0.284 407 HD11 ILE 63 HD11 ILE 63 -0.288 -4.416 -2.541 408 HD12 ILE 63 HD12 ILE 63 -0.171 -3.079 -3.684 409 HD13 ILE 63 HD13 ILE 63 -1.663 -3.338 -2.781 410 H CYS 64 HN CYS 64 0.799 -4.071 2.149 411 HA CYS 64 HA CYS 64 -1.231 -4.306 4.036 412 HB2 CYS 64 HB2 CYS 64 0.309 -6.121 3.597 413 HB3 CYS 64 HB1 CYS 64 1.667 -5.164 4.174 414 HG CYS 64 HG CYS 64 -0.881 -5.862 6.315 415 H GLU 65 HN GLU 65 1.892 -2.640 4.296 416 HA GLU 65 HA GLU 65 1.562 -1.872 6.994 417 HB2 GLU 65 HB2 GLU 65 3.761 -1.994 6.020 418 HB3 GLU 65 HB1 GLU 65 3.331 -0.808 4.795 419 HG2 GLU 65 HG2 GLU 65 3.201 0.916 6.390 420 HG3 GLU 65 HG1 GLU 65 3.338 -0.216 7.732 421 H ALA 66 HN ALA 66 1.102 -0.170 3.918 422 HA ALA 66 HA ALA 66 0.374 2.325 4.916 423 HB1 ALA 66 HB1 ALA 66 -0.616 0.977 2.409 424 HB2 ALA 66 HB2 ALA 66 0.857 1.933 2.560 425 HB3 ALA 66 HB3 ALA 66 -0.719 2.703 2.757 426 H PHE 67 HN PHE 67 -1.657 -0.463 4.129 427 HA PHE 67 HA PHE 67 -4.137 0.663 4.697 428 HB2 PHE 67 HB2 PHE 67 -3.053 -2.044 4.398 429 HB3 PHE 67 HB1 PHE 67 -4.463 -1.951 5.451 430 HD1 PHE 67 HD1 PHE 67 -3.226 -1.356 2.037 431 HD2 PHE 67 HD2 PHE 67 -6.607 -1.438 4.606 432 HE1 PHE 67 HE1 PHE 67 -4.714 -1.232 0.080 433 HE2 PHE 67 HE2 PHE 67 -8.098 -1.310 2.666 434 HZ PHE 67 HZ PHE 67 -7.155 -1.210 0.395 435 H THR 68 HN THR 68 -1.877 -1.005 6.852 436 HA THR 68 HA THR 68 -3.607 -0.988 9.082 437 HB THR 68 HB THR 68 -0.593 -1.044 9.169 438 HG1 THR 68 HG1 THR 68 -1.294 -2.673 7.752 439 HG21 THR 68 HG21 THR 68 -2.693 -2.189 11.013 440 HG22 THR 68 HG22 THR 68 -1.703 -0.766 11.338 441 HG23 THR 68 HG23 THR 68 -0.948 -2.355 11.208 442 H LYS 69 HN LYS 69 -1.302 1.314 7.802 443 HA LYS 69 HA LYS 69 -1.288 3.022 10.083 444 HB2 LYS 69 HB2 LYS 69 -0.519 3.598 7.222 445 HB3 LYS 69 HB1 LYS 69 -0.174 4.639 8.600 446 HG2 LYS 69 HG2 LYS 69 0.866 2.277 9.444 447 HG3 LYS 69 HG1 LYS 69 1.148 2.179 7.710 448 HD2 LYS 69 HD2 LYS 69 1.964 4.500 9.450 449 HD3 LYS 69 HD1 LYS 69 3.035 3.182 8.968 450 HE2 LYS 69 HE2 LYS 69 2.554 3.777 6.595 451 HE3 LYS 69 HE1 LYS 69 1.678 5.186 7.190 452 HZ1 LYS 69 HZ1 LYS 69 3.964 5.719 6.574 453 HZ2 LYS 69 HZ2 LYS 69 4.541 4.619 7.718 454 HZ3 LYS 69 HZ3 LYS 69 3.688 5.987 8.218 455 H VAL 70 HN VAL 70 -3.370 2.734 7.301 456 HA VAL 70 HA VAL 70 -4.594 5.326 7.776 457 HB VAL 70 HB VAL 70 -5.981 4.932 5.884 458 HG11 VAL 70 HG11 VAL 70 -4.205 4.131 4.190 459 HG12 VAL 70 HG12 VAL 70 -3.135 4.094 5.588 460 HG13 VAL 70 HG13 VAL 70 -3.919 5.601 5.115 461 HG21 VAL 70 HG21 VAL 70 -6.657 2.633 6.316 462 HG22 VAL 70 HG22 VAL 70 -5.036 2.067 5.909 463 HG23 VAL 70 HG23 VAL 70 -6.049 2.804 4.669 464 H GLY 71 HN GLY 71 -4.779 2.533 9.378 465 HA2 GLY 71 HA2 GLY 71 -6.250 2.219 11.198 466 HA3 GLY 71 HA1 GLY 71 -7.440 3.215 10.375 467 H GLN 72 HN GLN 72 -5.964 0.865 8.405 468 HA GLN 72 HA GLN 72 -8.237 -0.960 8.816 469 HB2 GLN 72 HB2 GLN 72 -8.470 0.356 6.733 470 HB3 GLN 72 HB1 GLN 72 -6.907 -0.237 6.196 471 HG2 GLN 72 HG2 GLN 72 -8.622 -1.469 5.087 472 HG3 GLN 72 HG1 GLN 72 -7.821 -2.537 6.241 473 HE21 GLN 72 HE21 GLN 72 -10.697 -0.741 5.516 474 HE22 GLN 72 HE22 GLN 72 -11.727 -1.545 6.649 475 HA PRO 73 HA PRO 73 -4.362 -3.235 9.518 476 HB2 PRO 73 HB2 PRO 73 -5.408 -5.057 11.231 477 HB3 PRO 73 HB1 PRO 73 -4.868 -3.451 11.733 478 HG2 PRO 73 HG2 PRO 73 -7.631 -4.454 11.232 479 HG3 PRO 73 HG1 PRO 73 -7.056 -3.317 12.463 480 HD2 PRO 73 HD2 PRO 73 -8.335 -2.567 10.154 481 HD3 PRO 73 HD1 PRO 73 -7.210 -1.524 11.044 482 H LYS 74 HN LYS 74 -4.165 -4.106 7.535 483 HA LYS 74 HA LYS 74 -5.569 -6.634 7.030 484 HB2 LYS 74 HB2 LYS 74 -4.371 -4.610 5.150 485 HB3 LYS 74 HB1 LYS 74 -4.713 -6.256 4.638 486 HG2 LYS 74 HG2 LYS 74 -6.743 -4.316 5.726 487 HG3 LYS 74 HG1 LYS 74 -6.496 -4.699 4.019 488 HD2 LYS 74 HD2 LYS 74 -6.990 -7.080 4.549 489 HD3 LYS 74 HD1 LYS 74 -7.379 -6.588 6.196 490 HE2 LYS 74 HE2 LYS 74 -9.143 -5.129 5.338 491 HE3 LYS 74 HE1 LYS 74 -8.760 -5.638 3.694 492 HZ1 LYS 74 HZ1 LYS 74 -9.809 -7.342 5.887 493 HZ2 LYS 74 HZ2 LYS 74 -9.288 -7.950 4.395 494 HZ3 LYS 74 HZ3 LYS 74 -10.618 -6.900 4.470 495 H THR 75 HN THR 75 -4.391 -8.455 6.688 496 HA THR 75 HA THR 75 -1.601 -8.396 7.422 497 HB THR 75 HB THR 75 -1.754 -10.879 7.057 498 HG1 THR 75 HG1 THR 75 -4.113 -11.541 6.977 499 HG21 THR 75 HG21 THR 75 -3.830 -9.705 8.901 500 HG22 THR 75 HG22 THR 75 -2.116 -9.888 9.269 501 HG23 THR 75 HG23 THR 75 -3.124 -11.314 9.026 502 H LEU 76 HN LEU 76 -0.021 -9.646 6.091 503 HA LEU 76 HA LEU 76 0.160 -8.696 3.450 504 HB2 LEU 76 HB2 LEU 76 2.100 -9.378 4.790 505 HB3 LEU 76 HB1 LEU 76 1.542 -11.038 4.770 506 HG LEU 76 HG LEU 76 1.860 -11.100 2.321 507 HD11 LEU 76 HD11 LEU 76 3.001 -8.342 2.727 508 HD12 LEU 76 HD12 LEU 76 1.541 -8.753 1.827 509 HD13 LEU 76 HD13 LEU 76 3.117 -9.289 1.244 510 HD21 LEU 76 HD21 LEU 76 3.633 -11.871 3.810 511 HD22 LEU 76 HD22 LEU 76 4.293 -10.236 3.876 512 HD23 LEU 76 HD23 LEU 76 4.300 -11.128 2.355 513 H ASN 77 HN ASN 77 -1.092 -11.618 4.877 514 HA ASN 77 HA ASN 77 -1.484 -13.149 2.558 515 HB2 ASN 77 HB2 ASN 77 -1.668 -13.977 4.918 516 HB3 ASN 77 HB1 ASN 77 -3.212 -13.143 5.041 517 HD21 ASN 77 HD21 ASN 77 -4.373 -15.014 5.370 518 HD22 ASN 77 HD22 ASN 77 -4.637 -16.184 4.125 519 H GLU 78 HN GLU 78 -3.566 -10.810 4.211 520 HA GLU 78 HA GLU 78 -5.853 -11.056 2.632 521 HB2 GLU 78 HB2 GLU 78 -4.676 -8.758 4.166 522 HB3 GLU 78 HB1 GLU 78 -6.126 -8.537 3.200 523 HG2 GLU 78 HG2 GLU 78 -5.844 -10.570 5.385 524 HG3 GLU 78 HG1 GLU 78 -6.547 -8.970 5.599 525 H ILE 79 HN ILE 79 -3.035 -8.955 2.223 526 HA ILE 79 HA ILE 79 -4.001 -7.545 0.003 527 HB ILE 79 HB ILE 79 -1.108 -8.112 0.657 528 HG12 ILE 79 HG12 ILE 79 -2.199 -7.176 2.612 529 HG13 ILE 79 HG11 ILE 79 -1.194 -5.938 1.869 530 HG21 ILE 79 HG21 ILE 79 -2.409 -5.896 -0.920 531 HG22 ILE 79 HG22 ILE 79 -1.411 -7.199 -1.566 532 HG23 ILE 79 HG23 ILE 79 -0.699 -5.983 -0.505 533 HD11 ILE 79 HD11 ILE 79 -4.186 -6.187 1.648 534 HD12 ILE 79 HD12 ILE 79 -3.204 -4.977 0.823 535 HD13 ILE 79 HD13 ILE 79 -3.289 -4.991 2.585 536 H LYS 80 HN LYS 80 -1.849 -10.380 0.171 537 HA LYS 80 HA LYS 80 -1.587 -10.676 -2.622 538 HB2 LYS 80 HB2 LYS 80 -1.309 -12.776 -0.464 539 HB3 LYS 80 HB1 LYS 80 -0.751 -12.934 -2.126 540 HG2 LYS 80 HG2 LYS 80 0.632 -10.843 -1.669 541 HG3 LYS 80 HG1 LYS 80 0.284 -11.135 0.033 542 HD2 LYS 80 HD2 LYS 80 1.286 -13.359 -0.141 543 HD3 LYS 80 HD1 LYS 80 1.629 -13.076 -1.850 544 HE2 LYS 80 HE2 LYS 80 3.030 -11.141 -1.204 545 HE3 LYS 80 HE1 LYS 80 2.742 -11.530 0.488 546 HZ1 LYS 80 HZ1 LYS 80 4.145 -13.231 -1.495 547 HZ2 LYS 80 HZ2 LYS 80 3.781 -13.704 0.084 548 HZ3 LYS 80 HZ3 LYS 80 4.843 -12.415 -0.189 549 H ARG 81 HN ARG 81 -3.919 -11.928 -0.313 550 HA ARG 81 HA ARG 81 -5.308 -13.675 -2.029 551 HB2 ARG 81 HB2 ARG 81 -5.706 -13.673 0.368 552 HB3 ARG 81 HB1 ARG 81 -6.290 -12.018 0.305 553 HG2 ARG 81 HG2 ARG 81 -8.150 -13.520 0.520 554 HG3 ARG 81 HG1 ARG 81 -8.189 -12.769 -1.073 555 HD2 ARG 81 HD2 ARG 81 -7.186 -14.779 -2.039 556 HD3 ARG 81 HD1 ARG 81 -7.150 -15.530 -0.445 557 HE ARG 81 HE ARG 81 -9.763 -14.832 -0.822 558 HH11 ARG 81 HH11 ARG 81 -7.450 -16.788 -2.565 559 HH12 ARG 81 HH12 ARG 81 -8.649 -17.851 -3.228 560 HH21 ARG 81 HH21 ARG 81 -11.354 -16.219 -1.687 561 HH22 ARG 81 HH22 ARG 81 -10.881 -17.523 -2.731 562 H ILE 82 HN ILE 82 -5.734 -10.243 -1.338 563 HA ILE 82 HA ILE 82 -7.991 -9.855 -2.999 564 HB ILE 82 HB ILE 82 -5.970 -7.897 -1.896 565 HG12 ILE 82 HG12 ILE 82 -8.812 -8.388 -1.005 566 HG13 ILE 82 HG11 ILE 82 -7.457 -9.292 -0.340 567 HG21 ILE 82 HG21 ILE 82 -7.615 -6.152 -2.381 568 HG22 ILE 82 HG22 ILE 82 -8.639 -7.341 -3.185 569 HG23 ILE 82 HG23 ILE 82 -7.057 -6.941 -3.857 570 HD11 ILE 82 HD11 ILE 82 -7.886 -6.317 -0.175 571 HD12 ILE 82 HD12 ILE 82 -6.464 -7.172 0.426 572 HD13 ILE 82 HD13 ILE 82 -8.047 -7.489 1.135 573 H LEU 83 HN LEU 83 -4.525 -9.643 -3.561 574 HA LEU 83 HA LEU 83 -4.843 -8.555 -6.215 575 HB2 LEU 83 HB2 LEU 83 -2.432 -9.698 -4.804 576 HB3 LEU 83 HB1 LEU 83 -2.392 -8.944 -6.388 577 HG LEU 83 HG LEU 83 -3.127 -7.590 -3.793 578 HD11 LEU 83 HD11 LEU 83 -0.755 -8.039 -3.970 579 HD12 LEU 83 HD12 LEU 83 -1.072 -6.315 -4.160 580 HD13 LEU 83 HD13 LEU 83 -0.713 -7.308 -5.573 581 HD21 LEU 83 HD21 LEU 83 -4.423 -6.537 -5.433 582 HD22 LEU 83 HD22 LEU 83 -3.147 -6.639 -6.639 583 HD23 LEU 83 HD23 LEU 83 -2.987 -5.526 -5.283 584 H SER 84 HN SER 84 -4.811 -11.636 -4.767 585 HA SER 84 HA SER 84 -5.077 -13.729 -5.515 586 HB2 SER 84 HB2 SER 84 -5.788 -12.264 -8.039 587 HB3 SER 84 HB1 SER 84 -6.007 -14.000 -7.819 588 HG SER 84 HG SER 84 -7.040 -12.327 -5.848 Start of MODEL 15 1 H1 LYS 15 HT1 LYS 15 29.144 -4.542 0.646 2 H2 LYS 15 HT2 LYS 15 28.290 -5.693 1.542 3 H3 LYS 15 HT3 LYS 15 28.102 -4.046 1.880 4 HA LYS 15 HA LYS 15 27.325 -5.362 -0.654 5 HB2 LYS 15 HB2 LYS 15 25.927 -5.975 1.340 6 HB3 LYS 15 HB1 LYS 15 25.580 -4.266 1.554 7 HG2 LYS 15 HG2 LYS 15 24.681 -4.330 -0.832 8 HG3 LYS 15 HG1 LYS 15 24.713 -6.083 -0.662 9 HD2 LYS 15 HD2 LYS 15 22.513 -5.336 -0.106 10 HD3 LYS 15 HD1 LYS 15 23.307 -5.822 1.393 11 HE2 LYS 15 HE2 LYS 15 23.779 -3.513 1.932 12 HE3 LYS 15 HE1 LYS 15 23.123 -2.984 0.385 13 HZ1 LYS 15 HZ1 LYS 15 20.959 -3.866 1.093 14 HZ2 LYS 15 HZ2 LYS 15 21.518 -2.629 2.104 15 HZ3 LYS 15 HZ3 LYS 15 21.615 -4.244 2.608 16 HA PRO 16 HA PRO 16 27.399 -1.120 -2.058 17 HB2 PRO 16 HB2 PRO 16 26.158 -1.499 -4.442 18 HB3 PRO 16 HB1 PRO 16 27.842 -1.947 -4.155 19 HG2 PRO 16 HG2 PRO 16 25.410 -3.666 -4.244 20 HG3 PRO 16 HG1 PRO 16 27.053 -4.014 -4.805 21 HD2 PRO 16 HD2 PRO 16 25.982 -4.929 -2.437 22 HD3 PRO 16 HD1 PRO 16 27.715 -4.753 -2.747 23 H GLU 17 HN GLU 17 26.061 0.279 -1.084 24 HA GLU 17 HA GLU 17 23.221 0.158 -1.758 25 HB2 GLU 17 HB2 GLU 17 23.585 -0.946 0.474 26 HB3 GLU 17 HB1 GLU 17 24.180 0.595 1.073 27 HG2 GLU 17 HG2 GLU 17 22.028 1.624 0.647 28 HG3 GLU 17 HG1 GLU 17 21.423 0.115 -0.035 29 H VAL 18 HN VAL 18 23.870 1.865 -3.168 30 HA VAL 18 HA VAL 18 24.380 4.433 -1.834 31 HB VAL 18 HB VAL 18 24.355 3.870 -4.807 32 HG11 VAL 18 HG11 VAL 18 25.440 6.194 -3.217 33 HG12 VAL 18 HG12 VAL 18 23.997 6.207 -4.232 34 HG13 VAL 18 HG13 VAL 18 25.587 5.985 -4.963 35 HG21 VAL 18 HG21 VAL 18 26.712 3.979 -2.925 36 HG22 VAL 18 HG22 VAL 18 26.806 3.865 -4.683 37 HG23 VAL 18 HG23 VAL 18 26.102 2.545 -3.750 38 H GLU 19 HN GLU 19 22.100 2.632 -3.741 39 HA GLU 19 HA GLU 19 20.251 4.736 -4.209 40 HB2 GLU 19 HB2 GLU 19 20.046 1.734 -4.271 41 HB3 GLU 19 HB1 GLU 19 18.641 2.756 -4.535 42 HG2 GLU 19 HG2 GLU 19 21.168 2.832 -6.164 43 HG3 GLU 19 HG1 GLU 19 19.675 2.012 -6.627 44 H HIS 20 HN HIS 20 18.209 5.050 -3.223 45 HA HIS 20 HA HIS 20 18.183 4.282 -0.390 46 HB2 HIS 20 HB2 HIS 20 16.535 6.220 -0.166 47 HB3 HIS 20 HB1 HIS 20 18.211 6.638 -0.488 48 HD1 HIS 20 HD1 HIS 20 18.719 7.881 -2.642 49 HD2 HIS 20 HD2 HIS 20 14.751 6.684 -2.347 50 HE1 HIS 20 HE1 HIS 20 17.513 9.070 -4.499 51 HE2 HIS 20 HE2 HIS 20 15.158 8.187 -4.408 52 H THR 21 HN THR 21 17.397 2.203 -1.309 53 HA THR 21 HA THR 21 14.906 2.018 -2.621 54 HB THR 21 HB THR 21 16.208 -0.172 -1.004 55 HG1 THR 21 HG1 THR 21 16.820 0.860 -3.591 56 HG21 THR 21 HG21 THR 21 15.183 -1.633 -2.674 57 HG22 THR 21 HG22 THR 21 14.516 -0.229 -3.508 58 HG23 THR 21 HG23 THR 21 13.955 -0.640 -1.888 59 H HIS 22 HN HIS 22 15.802 2.099 0.773 60 HA HIS 22 HA HIS 22 13.303 1.178 1.790 61 HB2 HIS 22 HB2 HIS 22 15.383 2.955 3.073 62 HB3 HIS 22 HB1 HIS 22 13.972 2.338 3.906 63 HD1 HIS 22 HD1 HIS 22 14.649 0.528 5.412 64 HD2 HIS 22 HD2 HIS 22 16.771 0.419 1.838 65 HE1 HIS 22 HE1 HIS 22 16.154 -1.480 5.579 66 HE2 HIS 22 HE2 HIS 22 17.346 -1.592 3.361 67 H SER 23 HN SER 23 14.656 4.369 1.105 68 HA SER 23 HA SER 23 12.413 5.866 1.895 69 HB2 SER 23 HB2 SER 23 14.424 6.572 -0.253 70 HB3 SER 23 HB1 SER 23 13.424 7.694 0.669 71 HG SER 23 HG SER 23 14.550 6.673 2.569 72 H GLU 24 HN GLU 24 13.249 4.230 -1.106 73 HA GLU 24 HA GLU 24 11.221 5.340 -2.713 74 HB2 GLU 24 HB2 GLU 24 12.780 2.778 -2.885 75 HB3 GLU 24 HB1 GLU 24 11.524 3.170 -4.051 76 HG2 GLU 24 HG2 GLU 24 13.999 4.784 -3.484 77 HG3 GLU 24 HG1 GLU 24 13.696 3.785 -4.906 78 H ARG 25 HN ARG 25 11.273 2.306 -0.825 79 HA ARG 25 HA ARG 25 8.564 1.699 -1.448 80 HB2 ARG 25 HB2 ARG 25 8.700 -0.005 0.291 81 HB3 ARG 25 HB1 ARG 25 10.118 -0.055 -0.743 82 HG2 ARG 25 HG2 ARG 25 11.329 1.254 1.013 83 HG3 ARG 25 HG1 ARG 25 9.923 1.025 2.053 84 HD2 ARG 25 HD2 ARG 25 11.541 -1.191 0.804 85 HD3 ARG 25 HD1 ARG 25 11.702 -0.635 2.467 86 HE ARG 25 HE ARG 25 9.168 -1.274 2.502 87 HH11 ARG 25 HH11 ARG 25 11.762 -3.001 0.896 88 HH12 ARG 25 HH12 ARG 25 11.017 -4.555 1.093 89 HH21 ARG 25 HH21 ARG 25 8.199 -3.339 2.764 90 HH22 ARG 25 HH22 ARG 25 9.010 -4.750 2.157 91 H GLU 26 HN GLU 26 10.142 3.468 1.149 92 HA GLU 26 HA GLU 26 7.913 3.713 2.844 93 HB2 GLU 26 HB2 GLU 26 10.212 4.131 3.562 94 HB3 GLU 26 HB1 GLU 26 10.297 5.534 2.508 95 HG2 GLU 26 HG2 GLU 26 8.640 6.672 3.806 96 HG3 GLU 26 HG1 GLU 26 8.391 5.245 4.810 97 H LYS 27 HN LYS 27 9.116 5.832 0.239 98 HA LYS 27 HA LYS 27 7.140 7.825 0.623 99 HB2 LYS 27 HB2 LYS 27 7.789 8.700 -1.547 100 HB3 LYS 27 HB1 LYS 27 9.217 8.261 -0.624 101 HG2 LYS 27 HG2 LYS 27 9.379 6.173 -1.908 102 HG3 LYS 27 HG1 LYS 27 7.978 6.669 -2.858 103 HD2 LYS 27 HD2 LYS 27 10.073 7.136 -4.036 104 HD3 LYS 27 HD1 LYS 27 9.200 8.621 -3.662 105 HE2 LYS 27 HE2 LYS 27 10.666 9.102 -1.836 106 HE3 LYS 27 HE1 LYS 27 11.442 7.527 -1.971 107 HZ1 LYS 27 HZ1 LYS 27 11.525 9.622 -4.070 108 HZ2 LYS 27 HZ2 LYS 27 12.373 8.154 -4.071 109 HZ3 LYS 27 HZ3 LYS 27 12.749 9.354 -2.939 110 H ARG 28 HN ARG 28 7.187 4.829 -1.211 111 HA ARG 28 HA ARG 28 4.780 5.320 -2.635 112 HB2 ARG 28 HB2 ARG 28 6.172 2.742 -1.910 113 HB3 ARG 28 HB1 ARG 28 4.725 2.816 -2.906 114 HG2 ARG 28 HG2 ARG 28 5.995 4.341 -4.447 115 HG3 ARG 28 HG1 ARG 28 7.440 3.940 -3.516 116 HD2 ARG 28 HD2 ARG 28 5.667 1.981 -4.969 117 HD3 ARG 28 HD1 ARG 28 7.237 2.555 -5.521 118 HE ARG 28 HE ARG 28 6.821 0.904 -3.098 119 HH11 ARG 28 HH11 ARG 28 8.804 1.954 -5.800 120 HH12 ARG 28 HH12 ARG 28 10.005 0.732 -5.554 121 HH21 ARG 28 HH21 ARG 28 8.373 -0.730 -2.808 122 HH22 ARG 28 HH22 ARG 28 9.769 -0.784 -3.848 123 H VAL 29 HN VAL 29 5.502 3.706 0.439 124 HA VAL 29 HA VAL 29 2.869 3.032 1.125 125 HB VAL 29 HB VAL 29 5.188 3.785 2.918 126 HG11 VAL 29 HG11 VAL 29 3.062 4.100 4.099 127 HG12 VAL 29 HG12 VAL 29 3.956 2.722 4.740 128 HG13 VAL 29 HG13 VAL 29 2.580 2.459 3.668 129 HG21 VAL 29 HG21 VAL 29 5.338 1.345 3.259 130 HG22 VAL 29 HG22 VAL 29 5.617 1.818 1.583 131 HG23 VAL 29 HG23 VAL 29 4.067 1.122 2.057 132 H SER 30 HN SER 30 4.733 5.994 1.712 133 HA SER 30 HA SER 30 2.795 7.399 3.151 134 HB2 SER 30 HB2 SER 30 4.855 8.523 1.235 135 HB3 SER 30 HB1 SER 30 4.031 9.418 2.513 136 HG SER 30 HG SER 30 5.900 7.296 2.777 137 H ASN 31 HN ASN 31 3.323 7.183 -0.349 138 HA ASN 31 HA ASN 31 1.229 8.939 -1.087 139 HB2 ASN 31 HB2 ASN 31 2.832 6.868 -2.533 140 HB3 ASN 31 HB1 ASN 31 1.383 7.513 -3.298 141 HD21 ASN 31 HD21 ASN 31 4.607 8.211 -2.210 142 HD22 ASN 31 HD22 ASN 31 4.762 9.739 -3.015 143 H ALA 32 HN ALA 32 1.343 5.508 -0.413 144 HA ALA 32 HA ALA 32 -1.307 4.935 -1.284 145 HB1 ALA 32 HB1 ALA 32 0.482 3.446 0.624 146 HB2 ALA 32 HB2 ALA 32 0.355 3.182 -1.115 147 HB3 ALA 32 HB3 ALA 32 -1.017 2.828 -0.066 148 H VAL 33 HN VAL 33 0.129 5.668 1.864 149 HA VAL 33 HA VAL 33 -2.186 5.307 3.403 150 HB VAL 33 HB VAL 33 0.184 7.128 3.890 151 HG11 VAL 33 HG11 VAL 33 -1.885 6.176 5.871 152 HG12 VAL 33 HG12 VAL 33 -1.771 7.814 5.229 153 HG13 VAL 33 HG13 VAL 33 -0.469 7.164 6.229 154 HG21 VAL 33 HG21 VAL 33 0.808 4.799 3.705 155 HG22 VAL 33 HG22 VAL 33 -0.452 4.339 4.848 156 HG23 VAL 33 HG23 VAL 33 0.919 5.310 5.388 157 H GLU 34 HN GLU 34 -0.942 8.159 1.708 158 HA GLU 34 HA GLU 34 -2.963 9.916 2.652 159 HB2 GLU 34 HB2 GLU 34 -2.138 11.487 1.040 160 HB3 GLU 34 HB1 GLU 34 -0.760 10.631 1.712 161 HG2 GLU 34 HG2 GLU 34 -0.696 9.205 -0.275 162 HG3 GLU 34 HG1 GLU 34 -2.035 10.125 -0.958 163 H PHE 35 HN PHE 35 -2.676 7.803 -0.142 164 HA PHE 35 HA PHE 35 -5.001 8.751 -1.492 165 HB2 PHE 35 HB2 PHE 35 -3.243 7.658 -2.737 166 HB3 PHE 35 HB1 PHE 35 -3.383 6.209 -1.753 167 HD1 PHE 35 HD1 PHE 35 -5.167 8.282 -4.251 168 HD2 PHE 35 HD2 PHE 35 -4.851 4.495 -2.342 169 HE1 PHE 35 HE1 PHE 35 -6.734 7.329 -5.890 170 HE2 PHE 35 HE2 PHE 35 -6.420 3.534 -3.974 171 HZ PHE 35 HZ PHE 35 -7.363 4.954 -5.751 172 H LEU 36 HN LEU 36 -4.329 5.995 0.634 173 HA LEU 36 HA LEU 36 -6.878 4.810 0.432 174 HB2 LEU 36 HB2 LEU 36 -4.722 4.661 2.507 175 HB3 LEU 36 HB1 LEU 36 -6.201 3.734 2.639 176 HG LEU 36 HG LEU 36 -4.199 3.529 0.389 177 HD11 LEU 36 HD11 LEU 36 -4.755 1.689 2.710 178 HD12 LEU 36 HD12 LEU 36 -3.309 2.673 2.483 179 HD13 LEU 36 HD13 LEU 36 -3.661 1.353 1.368 180 HD21 LEU 36 HD21 LEU 36 -6.431 3.006 -0.377 181 HD22 LEU 36 HD22 LEU 36 -6.689 1.943 1.006 182 HD23 LEU 36 HD23 LEU 36 -5.496 1.519 -0.221 183 H LEU 37 HN LEU 37 -5.662 7.414 2.412 184 HA LEU 37 HA LEU 37 -7.929 7.299 4.201 185 HB2 LEU 37 HB2 LEU 37 -5.401 8.835 4.066 186 HB3 LEU 37 HB1 LEU 37 -6.747 9.589 4.901 187 HG LEU 37 HG LEU 37 -5.618 6.872 5.563 188 HD11 LEU 37 HD11 LEU 37 -5.290 9.518 6.965 189 HD12 LEU 37 HD12 LEU 37 -4.033 8.640 6.094 190 HD13 LEU 37 HD13 LEU 37 -4.729 7.958 7.564 191 HD21 LEU 37 HD21 LEU 37 -7.013 7.135 7.599 192 HD22 LEU 37 HD22 LEU 37 -7.955 7.013 6.114 193 HD23 LEU 37 HD23 LEU 37 -7.719 8.583 6.881 194 H ASP 38 HN ASP 38 -7.764 8.296 1.153 195 HA ASP 38 HA ASP 38 -9.020 10.863 1.409 196 HB2 ASP 38 HB2 ASP 38 -7.695 10.087 -0.622 197 HB3 ASP 38 HB1 ASP 38 -9.077 9.079 -1.031 198 H SER 39 HN SER 39 -11.173 11.351 1.322 199 HA SER 39 HA SER 39 -13.001 9.486 2.328 200 HB2 SER 39 HB2 SER 39 -13.183 11.973 2.538 201 HB3 SER 39 HB1 SER 39 -13.654 12.045 0.843 202 HG SER 39 HG SER 39 -15.593 11.728 1.555 203 H ARG 40 HN ARG 40 -12.198 10.380 -0.968 204 HA ARG 40 HA ARG 40 -14.452 9.170 -2.221 205 HB2 ARG 40 HB2 ARG 40 -11.680 9.653 -3.330 206 HB3 ARG 40 HB1 ARG 40 -13.118 9.303 -4.275 207 HG2 ARG 40 HG2 ARG 40 -14.110 11.399 -3.625 208 HG3 ARG 40 HG1 ARG 40 -12.755 11.738 -2.544 209 HD2 ARG 40 HD2 ARG 40 -11.243 11.678 -4.510 210 HD3 ARG 40 HD1 ARG 40 -12.654 11.482 -5.546 211 HE ARG 40 HE ARG 40 -13.200 13.730 -4.119 212 HH11 ARG 40 HH11 ARG 40 -10.563 12.693 -6.168 213 HH12 ARG 40 HH12 ARG 40 -10.129 14.301 -6.649 214 HH21 ARG 40 HH21 ARG 40 -12.632 15.863 -4.762 215 HH22 ARG 40 HH22 ARG 40 -11.306 16.099 -5.854 216 H VAL 41 HN VAL 41 -11.253 8.057 -1.311 217 HA VAL 41 HA VAL 41 -11.456 5.605 -2.815 218 HB VAL 41 HB VAL 41 -9.350 6.548 -0.858 219 HG11 VAL 41 HG11 VAL 41 -9.341 4.117 -1.053 220 HG12 VAL 41 HG12 VAL 41 -7.926 4.810 -1.846 221 HG13 VAL 41 HG13 VAL 41 -9.290 4.246 -2.812 222 HG21 VAL 41 HG21 VAL 41 -9.562 7.976 -2.828 223 HG22 VAL 41 HG22 VAL 41 -9.394 6.566 -3.874 224 HG23 VAL 41 HG23 VAL 41 -8.047 7.073 -2.854 225 H ARG 42 HN ARG 42 -11.830 6.624 0.502 226 HA ARG 42 HA ARG 42 -11.810 4.044 1.660 227 HB2 ARG 42 HB2 ARG 42 -12.786 5.118 3.621 228 HB3 ARG 42 HB1 ARG 42 -11.445 6.053 2.983 229 HG2 ARG 42 HG2 ARG 42 -12.995 7.589 1.936 230 HG3 ARG 42 HG1 ARG 42 -14.357 6.631 2.520 231 HD2 ARG 42 HD2 ARG 42 -14.080 8.473 3.996 232 HD3 ARG 42 HD1 ARG 42 -13.548 7.017 4.830 233 HE ARG 42 HE ARG 42 -11.474 8.581 3.531 234 HH11 ARG 42 HH11 ARG 42 -13.155 7.756 6.482 235 HH12 ARG 42 HH12 ARG 42 -11.970 8.473 7.521 236 HH21 ARG 42 HH21 ARG 42 -9.894 9.549 4.898 237 HH22 ARG 42 HH22 ARG 42 -10.117 9.502 6.620 238 H ARG 43 HN ARG 43 -14.191 5.756 -0.144 239 HA ARG 43 HA ARG 43 -16.419 4.236 0.903 240 HB2 ARG 43 HB2 ARG 43 -16.216 6.202 -1.379 241 HB3 ARG 43 HB1 ARG 43 -17.714 5.427 -0.882 242 HG2 ARG 43 HG2 ARG 43 -17.576 6.478 1.291 243 HG3 ARG 43 HG1 ARG 43 -16.018 7.193 0.870 244 HD2 ARG 43 HD2 ARG 43 -17.084 8.460 -0.926 245 HD3 ARG 43 HD1 ARG 43 -18.639 7.735 -0.521 246 HE ARG 43 HE ARG 43 -17.621 8.963 1.777 247 HH11 ARG 43 HH11 ARG 43 -18.812 9.836 -1.388 248 HH12 ARG 43 HH12 ARG 43 -19.392 11.391 -0.889 249 HH21 ARG 43 HH21 ARG 43 -18.404 11.008 2.457 250 HH22 ARG 43 HH22 ARG 43 -19.167 12.055 1.306 251 H THR 44 HN THR 44 -14.098 3.868 -1.593 252 HA THR 44 HA THR 44 -15.697 2.026 -3.146 253 HB THR 44 HB THR 44 -13.131 1.633 -4.013 254 HG1 THR 44 HG1 THR 44 -12.431 3.302 -2.501 255 HG21 THR 44 HG21 THR 44 -13.679 3.181 -5.824 256 HG22 THR 44 HG22 THR 44 -14.992 3.854 -4.861 257 HG23 THR 44 HG23 THR 44 -15.070 2.181 -5.408 258 HA PRO 45 HA PRO 45 -14.653 -1.778 -1.142 259 HB2 PRO 45 HB2 PRO 45 -13.866 -3.401 -3.201 260 HB3 PRO 45 HB1 PRO 45 -15.552 -3.005 -2.851 261 HG2 PRO 45 HG2 PRO 45 -13.700 -1.792 -4.866 262 HG3 PRO 45 HG1 PRO 45 -15.403 -2.258 -5.050 263 HD2 PRO 45 HD2 PRO 45 -14.688 0.296 -4.666 264 HD3 PRO 45 HD1 PRO 45 -16.168 -0.366 -3.944 265 H THR 46 HN THR 46 -12.935 -3.164 -0.489 266 HA THR 46 HA THR 46 -10.456 -1.879 -0.237 267 HB THR 46 HB THR 46 -10.539 -4.821 0.104 268 HG1 THR 46 HG1 THR 46 -12.025 -4.772 1.721 269 HG21 THR 46 HG21 THR 46 -8.657 -3.447 0.904 270 HG22 THR 46 HG22 THR 46 -9.478 -4.271 2.227 271 HG23 THR 46 HG23 THR 46 -9.767 -2.556 1.948 272 H SER 47 HN SER 47 -11.624 -4.342 -2.458 273 HA SER 47 HA SER 47 -9.197 -5.246 -3.480 274 HB2 SER 47 HB2 SER 47 -10.603 -5.821 -5.525 275 HB3 SER 47 HB1 SER 47 -11.167 -6.472 -3.987 276 HG SER 47 HG SER 47 -12.596 -5.131 -5.628 277 H SER 48 HN SER 48 -11.233 -2.552 -4.530 278 HA SER 48 HA SER 48 -9.750 -1.779 -6.758 279 HB2 SER 48 HB2 SER 48 -11.427 -0.135 -4.854 280 HB3 SER 48 HB1 SER 48 -10.870 0.395 -6.431 281 HG SER 48 HG SER 48 -12.762 -0.418 -6.971 282 H LYS 49 HN LYS 49 -9.580 -0.758 -3.382 283 HA LYS 49 HA LYS 49 -7.634 1.224 -3.592 284 HB2 LYS 49 HB2 LYS 49 -7.935 -0.714 -1.296 285 HB3 LYS 49 HB1 LYS 49 -7.260 0.905 -1.229 286 HG2 LYS 49 HG2 LYS 49 -9.442 1.856 -1.693 287 HG3 LYS 49 HG1 LYS 49 -10.134 0.236 -1.827 288 HD2 LYS 49 HD2 LYS 49 -9.316 -0.161 0.539 289 HD3 LYS 49 HD1 LYS 49 -8.987 1.570 0.617 290 HE2 LYS 49 HE2 LYS 49 -11.345 2.023 0.101 291 HE3 LYS 49 HE1 LYS 49 -11.655 0.287 0.066 292 HZ1 LYS 49 HZ1 LYS 49 -10.680 1.792 2.432 293 HZ2 LYS 49 HZ2 LYS 49 -11.061 0.146 2.384 294 HZ3 LYS 49 HZ3 LYS 49 -12.276 1.298 2.183 295 H VAL 50 HN VAL 50 -7.290 -2.242 -2.957 296 HA VAL 50 HA VAL 50 -4.481 -2.182 -2.565 297 HB VAL 50 HB VAL 50 -6.251 -4.515 -3.322 298 HG11 VAL 50 HG11 VAL 50 -4.458 -5.934 -2.465 299 HG12 VAL 50 HG12 VAL 50 -3.455 -4.511 -2.186 300 HG13 VAL 50 HG13 VAL 50 -3.901 -4.965 -3.829 301 HG21 VAL 50 HG21 VAL 50 -5.249 -3.584 -0.634 302 HG22 VAL 50 HG22 VAL 50 -6.175 -5.055 -0.932 303 HG23 VAL 50 HG23 VAL 50 -6.908 -3.477 -1.221 304 H HIS 51 HN HIS 51 -6.484 -2.973 -5.375 305 HA HIS 51 HA HIS 51 -4.362 -3.832 -7.033 306 HB2 HIS 51 HB2 HIS 51 -7.113 -2.774 -7.688 307 HB3 HIS 51 HB1 HIS 51 -5.998 -3.366 -8.913 308 HD1 HIS 51 HD1 HIS 51 -7.990 -5.112 -9.358 309 HD2 HIS 51 HD2 HIS 51 -5.943 -5.548 -5.771 310 HE1 HIS 51 HE1 HIS 51 -8.562 -7.413 -8.532 311 HE2 HIS 51 HE2 HIS 51 -7.415 -7.614 -6.300 312 H PHE 52 HN PHE 52 -5.769 -0.678 -6.403 313 HA PHE 52 HA PHE 52 -4.498 0.641 -8.581 314 HB2 PHE 52 HB2 PHE 52 -6.542 1.450 -7.300 315 HB3 PHE 52 HB1 PHE 52 -5.435 1.939 -6.021 316 HD1 PHE 52 HD1 PHE 52 -6.483 2.552 -9.485 317 HD2 PHE 52 HD2 PHE 52 -4.060 3.879 -6.248 318 HE1 PHE 52 HE1 PHE 52 -6.102 4.685 -10.650 319 HE2 PHE 52 HE2 PHE 52 -3.677 6.013 -7.404 320 HZ PHE 52 HZ PHE 52 -4.698 6.420 -9.609 321 H LEU 53 HN LEU 53 -3.683 0.119 -5.190 322 HA LEU 53 HA LEU 53 -1.361 1.755 -5.198 323 HB2 LEU 53 HB2 LEU 53 -2.100 -0.552 -3.400 324 HB3 LEU 53 HB1 LEU 53 -0.793 0.579 -3.104 325 HG LEU 53 HG LEU 53 -3.738 1.229 -3.172 326 HD11 LEU 53 HD11 LEU 53 -3.111 0.072 -1.161 327 HD12 LEU 53 HD12 LEU 53 -3.374 1.777 -0.798 328 HD13 LEU 53 HD13 LEU 53 -1.732 1.147 -0.931 329 HD21 LEU 53 HD21 LEU 53 -2.519 3.093 -4.079 330 HD22 LEU 53 HD22 LEU 53 -1.345 3.015 -2.766 331 HD23 LEU 53 HD23 LEU 53 -3.011 3.481 -2.431 332 H LYS 54 HN LYS 54 -1.930 -1.681 -5.782 333 HA LYS 54 HA LYS 54 0.759 -2.432 -6.135 334 HB2 LYS 54 HB2 LYS 54 -0.908 -4.143 -5.939 335 HB3 LYS 54 HB1 LYS 54 -1.805 -3.505 -7.310 336 HG2 LYS 54 HG2 LYS 54 -0.595 -5.567 -7.854 337 HG3 LYS 54 HG1 LYS 54 -0.069 -4.200 -8.832 338 HD2 LYS 54 HD2 LYS 54 1.879 -5.411 -8.174 339 HD3 LYS 54 HD1 LYS 54 1.849 -3.913 -7.246 340 HE2 LYS 54 HE2 LYS 54 0.951 -5.113 -5.321 341 HE3 LYS 54 HE1 LYS 54 0.938 -6.611 -6.252 342 HZ1 LYS 54 HZ1 LYS 54 3.325 -5.030 -5.468 343 HZ2 LYS 54 HZ2 LYS 54 3.366 -6.372 -6.493 344 HZ3 LYS 54 HZ3 LYS 54 2.883 -6.558 -4.885 345 H SER 55 HN SER 55 -1.625 -1.035 -8.318 346 HA SER 55 HA SER 55 -0.049 -1.100 -10.663 347 HB2 SER 55 HB2 SER 55 -2.518 -0.771 -10.623 348 HB3 SER 55 HB1 SER 55 -2.268 0.831 -9.937 349 HG SER 55 HG SER 55 -1.324 1.497 -11.818 350 H LYS 56 HN LYS 56 0.021 0.877 -7.856 351 HA LYS 56 HA LYS 56 1.445 3.071 -9.061 352 HB2 LYS 56 HB2 LYS 56 0.768 2.301 -6.235 353 HB3 LYS 56 HB1 LYS 56 1.855 3.631 -6.581 354 HG2 LYS 56 HG2 LYS 56 -0.962 3.439 -7.612 355 HG3 LYS 56 HG1 LYS 56 -0.490 4.310 -6.151 356 HD2 LYS 56 HD2 LYS 56 1.002 5.728 -7.500 357 HD3 LYS 56 HD1 LYS 56 0.481 4.873 -8.953 358 HE2 LYS 56 HE2 LYS 56 -1.818 5.610 -8.562 359 HE3 LYS 56 HE1 LYS 56 -1.297 6.465 -7.111 360 HZ1 LYS 56 HZ1 LYS 56 0.040 7.916 -8.433 361 HZ2 LYS 56 HZ2 LYS 56 -1.523 7.904 -9.080 362 HZ3 LYS 56 HZ3 LYS 56 -0.287 7.035 -9.841 363 H GLY 57 HN GLY 57 2.255 -0.047 -8.195 364 HA2 GLY 57 HA2 GLY 57 4.407 -0.946 -8.599 365 HA3 GLY 57 HA1 GLY 57 5.101 0.636 -8.285 366 H LEU 58 HN LEU 58 2.738 -0.339 -6.028 367 HA LEU 58 HA LEU 58 4.737 -0.552 -3.964 368 HB2 LEU 58 HB2 LEU 58 1.765 -0.477 -4.032 369 HB3 LEU 58 HB1 LEU 58 2.538 -1.180 -2.631 370 HG LEU 58 HG LEU 58 3.875 1.049 -2.550 371 HD11 LEU 58 HD11 LEU 58 3.162 1.911 -4.705 372 HD12 LEU 58 HD12 LEU 58 2.626 2.970 -3.401 373 HD13 LEU 58 HD13 LEU 58 1.480 1.877 -4.177 374 HD21 LEU 58 HD21 LEU 58 2.132 2.042 -1.167 375 HD22 LEU 58 HD22 LEU 58 2.290 0.311 -0.866 376 HD23 LEU 58 HD23 LEU 58 0.953 0.919 -1.842 377 H SER 59 HN SER 59 5.262 -2.315 -2.768 378 HA SER 59 HA SER 59 4.657 -4.911 -3.856 379 HB2 SER 59 HB2 SER 59 6.142 -4.240 -1.305 380 HB3 SER 59 HB1 SER 59 6.225 -5.746 -2.220 381 HG SER 59 HG SER 59 7.320 -3.219 -2.807 382 H ALA 60 HN ALA 60 3.884 -6.670 -2.358 383 HA ALA 60 HA ALA 60 1.325 -6.045 -1.415 384 HB1 ALA 60 HB1 ALA 60 1.964 -8.284 -2.143 385 HB2 ALA 60 HB2 ALA 60 1.282 -8.317 -0.518 386 HB3 ALA 60 HB3 ALA 60 3.027 -8.442 -0.746 387 H GLU 61 HN GLU 61 4.375 -6.449 0.326 388 HA GLU 61 HA GLU 61 3.237 -6.179 2.917 389 HB2 GLU 61 HB2 GLU 61 6.054 -5.921 1.894 390 HB3 GLU 61 HB1 GLU 61 5.640 -5.751 3.594 391 HG2 GLU 61 HG2 GLU 61 4.836 -7.997 3.693 392 HG3 GLU 61 HG1 GLU 61 5.000 -8.182 1.947 393 H GLU 62 HN GLU 62 4.465 -3.896 0.566 394 HA GLU 62 HA GLU 62 4.538 -1.628 2.265 395 HB2 GLU 62 HB2 GLU 62 4.171 -1.881 -0.721 396 HB3 GLU 62 HB1 GLU 62 4.330 -0.340 0.109 397 HG2 GLU 62 HG2 GLU 62 6.545 -0.925 0.858 398 HG3 GLU 62 HG1 GLU 62 6.389 -2.532 0.148 399 H ILE 63 HN ILE 63 2.090 -2.943 0.084 400 HA ILE 63 HA ILE 63 0.069 -1.061 0.594 401 HB ILE 63 HB ILE 63 -0.248 -3.977 -0.150 402 HG12 ILE 63 HG12 ILE 63 -0.148 -1.573 -1.980 403 HG13 ILE 63 HG11 ILE 63 1.250 -2.584 -1.637 404 HG21 ILE 63 HG21 ILE 63 -2.335 -3.016 0.607 405 HG22 ILE 63 HG22 ILE 63 -2.382 -3.234 -1.142 406 HG23 ILE 63 HG23 ILE 63 -2.116 -1.630 -0.461 407 HD11 ILE 63 HD11 ILE 63 -1.305 -3.485 -2.941 408 HD12 ILE 63 HD12 ILE 63 0.088 -4.507 -2.586 409 HD13 ILE 63 HD13 ILE 63 0.236 -3.188 -3.746 410 H CYS 64 HN CYS 64 0.830 -4.168 2.102 411 HA CYS 64 HA CYS 64 -1.231 -4.322 3.960 412 HB2 CYS 64 HB2 CYS 64 0.296 -6.172 3.564 413 HB3 CYS 64 HB1 CYS 64 1.647 -5.232 4.183 414 HG CYS 64 HG CYS 64 -1.012 -6.005 6.182 415 H GLU 65 HN GLU 65 1.900 -2.680 4.194 416 HA GLU 65 HA GLU 65 1.574 -1.832 6.866 417 HB2 GLU 65 HB2 GLU 65 3.776 -1.969 5.944 418 HB3 GLU 65 HB1 GLU 65 3.357 -0.884 4.626 419 HG2 GLU 65 HG2 GLU 65 3.226 0.965 6.072 420 HG3 GLU 65 HG1 GLU 65 3.321 -0.053 7.506 421 H ALA 66 HN ALA 66 1.096 -0.186 3.743 422 HA ALA 66 HA ALA 66 0.367 2.316 4.716 423 HB1 ALA 66 HB1 ALA 66 -0.624 0.946 2.219 424 HB2 ALA 66 HB2 ALA 66 0.856 1.894 2.365 425 HB3 ALA 66 HB3 ALA 66 -0.716 2.677 2.551 426 H PHE 67 HN PHE 67 -1.655 -0.519 4.048 427 HA PHE 67 HA PHE 67 -4.125 0.647 4.659 428 HB2 PHE 67 HB2 PHE 67 -3.076 -2.089 4.385 429 HB3 PHE 67 HB1 PHE 67 -4.486 -1.942 5.428 430 HD1 PHE 67 HD1 PHE 67 -6.609 -1.233 4.554 431 HD2 PHE 67 HD2 PHE 67 -3.227 -1.634 2.014 432 HE1 PHE 67 HE1 PHE 67 -8.085 -1.152 2.593 433 HE2 PHE 67 HE2 PHE 67 -4.696 -1.554 0.041 434 HZ PHE 67 HZ PHE 67 -7.131 -1.312 0.333 435 H THR 68 HN THR 68 -1.849 -1.115 6.740 436 HA THR 68 HA THR 68 -3.428 -0.934 9.066 437 HB THR 68 HB THR 68 -0.412 -1.101 8.961 438 HG1 THR 68 HG1 THR 68 -1.080 -2.813 7.749 439 HG21 THR 68 HG21 THR 68 -0.661 -2.286 11.082 440 HG22 THR 68 HG22 THR 68 -2.412 -2.087 11.000 441 HG23 THR 68 HG23 THR 68 -1.370 -0.674 11.183 442 H LYS 69 HN LYS 69 -1.059 1.206 7.606 443 HA LYS 69 HA LYS 69 -0.748 3.028 9.715 444 HB2 LYS 69 HB2 LYS 69 -0.547 3.405 6.729 445 HB3 LYS 69 HB1 LYS 69 -0.079 4.629 7.899 446 HG2 LYS 69 HG2 LYS 69 1.138 2.040 8.411 447 HG3 LYS 69 HG1 LYS 69 1.552 2.705 6.837 448 HD2 LYS 69 HD2 LYS 69 1.765 4.278 9.388 449 HD3 LYS 69 HD1 LYS 69 3.094 3.316 8.738 450 HE2 LYS 69 HE2 LYS 69 2.939 4.616 6.640 451 HE3 LYS 69 HE1 LYS 69 1.703 5.623 7.391 452 HZ1 LYS 69 HZ1 LYS 69 3.868 6.664 7.522 453 HZ2 LYS 69 HZ2 LYS 69 4.504 5.323 8.331 454 HZ3 LYS 69 HZ3 LYS 69 3.318 6.274 9.071 455 H VAL 70 HN VAL 70 -3.226 2.760 7.221 456 HA VAL 70 HA VAL 70 -4.343 5.344 7.934 457 HB VAL 70 HB VAL 70 -5.966 5.002 6.171 458 HG11 VAL 70 HG11 VAL 70 -3.191 4.206 5.302 459 HG12 VAL 70 HG12 VAL 70 -3.775 5.850 5.553 460 HG13 VAL 70 HG13 VAL 70 -4.449 4.864 4.263 461 HG21 VAL 70 HG21 VAL 70 -6.396 2.625 6.433 462 HG22 VAL 70 HG22 VAL 70 -4.772 2.250 5.856 463 HG23 VAL 70 HG23 VAL 70 -5.946 2.990 4.767 464 H GLY 71 HN GLY 71 -4.438 2.553 9.489 465 HA2 GLY 71 HA2 GLY 71 -5.789 2.155 11.369 466 HA3 GLY 71 HA1 GLY 71 -7.007 3.227 10.694 467 H GLN 72 HN GLN 72 -5.743 0.896 8.541 468 HA GLN 72 HA GLN 72 -8.037 -0.880 9.047 469 HB2 GLN 72 HB2 GLN 72 -8.339 0.465 6.984 470 HB3 GLN 72 HB1 GLN 72 -6.818 -0.159 6.368 471 HG2 GLN 72 HG2 GLN 72 -8.470 -1.415 5.301 472 HG3 GLN 72 HG1 GLN 72 -7.856 -2.467 6.576 473 HE21 GLN 72 HE21 GLN 72 -10.517 -0.576 5.451 474 HE22 GLN 72 HE22 GLN 72 -11.693 -1.195 6.556 475 HA PRO 73 HA PRO 73 -4.168 -3.237 9.510 476 HB2 PRO 73 HB2 PRO 73 -5.134 -5.057 11.267 477 HB3 PRO 73 HB1 PRO 73 -4.536 -3.466 11.748 478 HG2 PRO 73 HG2 PRO 73 -7.341 -4.418 11.414 479 HG3 PRO 73 HG1 PRO 73 -6.670 -3.303 12.615 480 HD2 PRO 73 HD2 PRO 73 -8.079 -2.506 10.398 481 HD3 PRO 73 HD1 PRO 73 -6.882 -1.493 11.225 482 H LYS 74 HN LYS 74 -4.157 -4.070 7.476 483 HA LYS 74 HA LYS 74 -5.677 -6.543 7.037 484 HB2 LYS 74 HB2 LYS 74 -4.383 -4.600 5.136 485 HB3 LYS 74 HB1 LYS 74 -4.811 -6.227 4.631 486 HG2 LYS 74 HG2 LYS 74 -6.738 -4.191 5.732 487 HG3 LYS 74 HG1 LYS 74 -6.511 -4.566 4.022 488 HD2 LYS 74 HD2 LYS 74 -7.122 -6.928 4.525 489 HD3 LYS 74 HD1 LYS 74 -7.491 -6.434 6.177 490 HE2 LYS 74 HE2 LYS 74 -9.182 -4.885 5.334 491 HE3 LYS 74 HE1 LYS 74 -8.811 -5.379 3.683 492 HZ1 LYS 74 HZ1 LYS 74 -10.743 -6.543 4.449 493 HZ2 LYS 74 HZ2 LYS 74 -9.937 -7.094 5.828 494 HZ3 LYS 74 HZ3 LYS 74 -9.475 -7.658 4.298 495 H THR 75 HN THR 75 -4.642 -8.429 6.764 496 HA THR 75 HA THR 75 -1.854 -8.552 7.467 497 HB THR 75 HB THR 75 -2.216 -11.045 7.109 498 HG1 THR 75 HG1 THR 75 -4.963 -10.653 7.240 499 HG21 THR 75 HG21 THR 75 -4.027 -9.612 9.055 500 HG22 THR 75 HG22 THR 75 -2.334 -10.026 9.323 501 HG23 THR 75 HG23 THR 75 -3.538 -11.303 9.162 502 H LEU 76 HN LEU 76 -0.292 -9.761 6.162 503 HA LEU 76 HA LEU 76 -0.125 -8.900 3.496 504 HB2 LEU 76 HB2 LEU 76 1.831 -9.535 4.818 505 HB3 LEU 76 HB1 LEU 76 1.267 -11.193 4.888 506 HG LEU 76 HG LEU 76 1.536 -11.369 2.440 507 HD11 LEU 76 HD11 LEU 76 1.236 -9.036 1.852 508 HD12 LEU 76 HD12 LEU 76 2.784 -9.633 1.250 509 HD13 LEU 76 HD13 LEU 76 2.730 -8.616 2.690 510 HD21 LEU 76 HD21 LEU 76 3.985 -11.411 2.433 511 HD22 LEU 76 HD22 LEU 76 3.328 -12.105 3.916 512 HD23 LEU 76 HD23 LEU 76 4.001 -10.476 3.927 513 H ASN 77 HN ASN 77 -1.369 -11.785 5.004 514 HA ASN 77 HA ASN 77 -1.807 -13.379 2.751 515 HB2 ASN 77 HB2 ASN 77 -2.033 -14.109 5.135 516 HB3 ASN 77 HB1 ASN 77 -3.535 -13.201 5.231 517 HD21 ASN 77 HD21 ASN 77 -1.967 -16.023 3.985 518 HD22 ASN 77 HD22 ASN 77 -3.397 -16.829 3.441 519 H GLU 78 HN GLU 78 -3.860 -10.935 4.300 520 HA GLU 78 HA GLU 78 -6.075 -11.148 2.590 521 HB2 GLU 78 HB2 GLU 78 -5.032 -9.076 4.446 522 HB3 GLU 78 HB1 GLU 78 -6.215 -8.560 3.253 523 HG2 GLU 78 HG2 GLU 78 -6.648 -10.867 5.124 524 HG3 GLU 78 HG1 GLU 78 -7.139 -9.214 5.483 525 H ILE 79 HN ILE 79 -3.207 -9.061 2.404 526 HA ILE 79 HA ILE 79 -4.030 -7.563 0.182 527 HB ILE 79 HB ILE 79 -1.201 -8.253 0.994 528 HG12 ILE 79 HG12 ILE 79 -2.388 -7.185 2.820 529 HG13 ILE 79 HG11 ILE 79 -1.255 -6.037 2.117 530 HG21 ILE 79 HG21 ILE 79 -1.327 -7.415 -1.295 531 HG22 ILE 79 HG22 ILE 79 -0.562 -6.236 -0.231 532 HG23 ILE 79 HG23 ILE 79 -2.235 -6.010 -0.738 533 HD11 ILE 79 HD11 ILE 79 -3.333 -4.939 2.623 534 HD12 ILE 79 HD12 ILE 79 -4.231 -6.124 1.676 535 HD13 ILE 79 HD13 ILE 79 -3.120 -5.013 0.873 536 H LYS 80 HN LYS 80 -2.017 -10.500 0.338 537 HA LYS 80 HA LYS 80 -1.644 -10.790 -2.440 538 HB2 LYS 80 HB2 LYS 80 -1.748 -12.913 -0.291 539 HB3 LYS 80 HB1 LYS 80 -1.144 -13.158 -1.923 540 HG2 LYS 80 HG2 LYS 80 0.574 -11.419 -1.472 541 HG3 LYS 80 HG1 LYS 80 0.019 -11.385 0.204 542 HD2 LYS 80 HD2 LYS 80 0.563 -13.723 0.470 543 HD3 LYS 80 HD1 LYS 80 1.028 -13.838 -1.226 544 HE2 LYS 80 HE2 LYS 80 2.865 -12.312 -0.863 545 HE3 LYS 80 HE1 LYS 80 2.365 -12.066 0.809 546 HZ1 LYS 80 HZ1 LYS 80 2.832 -14.367 1.278 547 HZ2 LYS 80 HZ2 LYS 80 4.204 -13.640 0.607 548 HZ3 LYS 80 HZ3 LYS 80 3.239 -14.657 -0.336 549 H ARG 81 HN ARG 81 -4.119 -11.954 -0.253 550 HA ARG 81 HA ARG 81 -5.560 -13.593 -2.004 551 HB2 ARG 81 HB2 ARG 81 -5.982 -13.647 0.361 552 HB3 ARG 81 HB1 ARG 81 -6.434 -11.949 0.370 553 HG2 ARG 81 HG2 ARG 81 -8.375 -12.514 -1.063 554 HG3 ARG 81 HG1 ARG 81 -7.948 -14.218 -0.889 555 HD2 ARG 81 HD2 ARG 81 -8.200 -14.050 1.521 556 HD3 ARG 81 HD1 ARG 81 -8.580 -12.336 1.374 557 HE ARG 81 HE ARG 81 -10.300 -14.182 -0.072 558 HH11 ARG 81 HH11 ARG 81 -9.813 -12.169 2.756 559 HH12 ARG 81 HH12 ARG 81 -11.496 -12.174 3.189 560 HH21 ARG 81 HH21 ARG 81 -12.506 -14.167 0.486 561 HH22 ARG 81 HH22 ARG 81 -13.027 -13.310 1.902 562 H ILE 82 HN ILE 82 -5.929 -10.166 -1.233 563 HA ILE 82 HA ILE 82 -8.143 -9.697 -2.924 564 HB ILE 82 HB ILE 82 -6.080 -7.769 -1.846 565 HG12 ILE 82 HG12 ILE 82 -8.866 -8.403 -0.849 566 HG13 ILE 82 HG11 ILE 82 -7.401 -9.097 -0.171 567 HG21 ILE 82 HG21 ILE 82 -7.754 -6.031 -2.267 568 HG22 ILE 82 HG22 ILE 82 -8.799 -7.228 -3.031 569 HG23 ILE 82 HG23 ILE 82 -7.247 -6.819 -3.761 570 HD11 ILE 82 HD11 ILE 82 -6.647 -6.854 0.458 571 HD12 ILE 82 HD12 ILE 82 -8.194 -7.271 1.193 572 HD13 ILE 82 HD13 ILE 82 -8.141 -6.180 -0.194 573 H LEU 83 HN LEU 83 -4.680 -9.661 -3.459 574 HA LEU 83 HA LEU 83 -4.858 -8.414 -6.039 575 HB2 LEU 83 HB2 LEU 83 -2.633 -9.857 -4.614 576 HB3 LEU 83 HB1 LEU 83 -2.457 -9.206 -6.232 577 HG LEU 83 HG LEU 83 -3.171 -7.543 -3.816 578 HD11 LEU 83 HD11 LEU 83 -0.862 -6.733 -3.928 579 HD12 LEU 83 HD12 LEU 83 -0.512 -7.921 -5.183 580 HD13 LEU 83 HD13 LEU 83 -0.937 -8.455 -3.557 581 HD21 LEU 83 HD21 LEU 83 -2.558 -5.670 -5.292 582 HD22 LEU 83 HD22 LEU 83 -3.942 -6.580 -5.897 583 HD23 LEU 83 HD23 LEU 83 -2.352 -6.808 -6.624 584 H SER 84 HN SER 84 -5.458 -11.533 -4.885 585 HA SER 84 HA SER 84 -5.094 -12.662 -7.570 586 HB2 SER 84 HB2 SER 84 -5.410 -14.882 -6.400 587 HB3 SER 84 HB1 SER 84 -3.959 -13.995 -5.941 588 HG SER 84 HG SER 84 -6.193 -13.440 -4.414 Start of MODEL 16 1 H1 LYS 15 HT1 LYS 15 30.319 -0.766 2.408 2 H2 LYS 15 HT2 LYS 15 29.073 0.252 2.925 3 H3 LYS 15 HT3 LYS 15 30.609 0.884 2.627 4 HA LYS 15 HA LYS 15 30.427 0.400 0.300 5 HB2 LYS 15 HB2 LYS 15 28.416 -0.505 -0.657 6 HB3 LYS 15 HB1 LYS 15 28.932 -1.594 0.621 7 HG2 LYS 15 HG2 LYS 15 27.257 -0.646 2.119 8 HG3 LYS 15 HG1 LYS 15 26.746 0.466 0.849 9 HD2 LYS 15 HD2 LYS 15 26.161 -1.474 -0.564 10 HD3 LYS 15 HD1 LYS 15 26.588 -2.546 0.770 11 HE2 LYS 15 HE2 LYS 15 24.209 -2.258 0.765 12 HE3 LYS 15 HE1 LYS 15 24.869 -1.404 2.158 13 HZ1 LYS 15 HZ1 LYS 15 24.647 0.676 1.002 14 HZ2 LYS 15 HZ2 LYS 15 23.162 -0.133 0.957 15 HZ3 LYS 15 HZ3 LYS 15 24.145 -0.110 -0.416 16 HA PRO 16 HA PRO 16 28.601 4.457 0.196 17 HB2 PRO 16 HB2 PRO 16 28.477 4.875 -2.464 18 HB3 PRO 16 HB1 PRO 16 30.011 4.871 -1.588 19 HG2 PRO 16 HG2 PRO 16 28.759 2.699 -3.223 20 HG3 PRO 16 HG1 PRO 16 30.449 3.236 -3.185 21 HD2 PRO 16 HD2 PRO 16 29.550 1.039 -1.847 22 HD3 PRO 16 HD1 PRO 16 30.919 2.021 -1.291 23 H GLU 17 HN GLU 17 26.570 5.262 0.179 24 HA GLU 17 HA GLU 17 24.426 3.481 -0.586 25 HB2 GLU 17 HB2 GLU 17 24.342 6.192 0.748 26 HB3 GLU 17 HB1 GLU 17 22.954 5.142 0.494 27 HG2 GLU 17 HG2 GLU 17 25.362 4.524 2.193 28 HG3 GLU 17 HG1 GLU 17 23.761 4.980 2.774 29 H VAL 18 HN VAL 18 24.788 3.549 -2.818 30 HA VAL 18 HA VAL 18 24.560 6.034 -4.262 31 HB VAL 18 HB VAL 18 24.586 3.207 -5.332 32 HG11 VAL 18 HG11 VAL 18 23.750 4.857 -6.927 33 HG12 VAL 18 HG12 VAL 18 25.322 4.229 -7.420 34 HG13 VAL 18 HG13 VAL 18 25.202 5.829 -6.688 35 HG21 VAL 18 HG21 VAL 18 26.974 3.510 -5.677 36 HG22 VAL 18 HG22 VAL 18 26.569 3.680 -3.967 37 HG23 VAL 18 HG23 VAL 18 26.892 5.112 -4.946 38 H GLU 19 HN GLU 19 22.556 3.322 -3.414 39 HA GLU 19 HA GLU 19 20.350 4.372 -5.021 40 HB2 GLU 19 HB2 GLU 19 19.224 2.242 -4.492 41 HB3 GLU 19 HB1 GLU 19 20.782 1.991 -5.266 42 HG2 GLU 19 HG2 GLU 19 21.762 1.591 -3.018 43 HG3 GLU 19 HG1 GLU 19 20.136 1.685 -2.345 44 H HIS 20 HN HIS 20 18.283 4.674 -4.067 45 HA HIS 20 HA HIS 20 18.351 5.176 -1.170 46 HB2 HIS 20 HB2 HIS 20 16.856 7.112 -1.536 47 HB3 HIS 20 HB1 HIS 20 18.395 7.315 -2.358 48 HD1 HIS 20 HD1 HIS 20 18.361 7.340 -4.952 49 HD2 HIS 20 HD2 HIS 20 14.620 6.930 -3.195 50 HE1 HIS 20 HE1 HIS 20 16.699 7.710 -6.805 51 HE2 HIS 20 HE2 HIS 20 14.453 7.233 -5.751 52 H THR 21 HN THR 21 17.628 2.771 -2.254 53 HA THR 21 HA THR 21 15.033 2.360 -3.085 54 HB THR 21 HB THR 21 16.510 0.411 -1.328 55 HG1 THR 21 HG1 THR 21 17.909 0.042 -2.948 56 HG21 THR 21 HG21 THR 21 14.271 -0.246 -2.072 57 HG22 THR 21 HG22 THR 21 15.505 -1.236 -2.852 58 HG23 THR 21 HG23 THR 21 14.726 0.070 -3.747 59 H HIS 22 HN HIS 22 16.235 2.795 0.197 60 HA HIS 22 HA HIS 22 13.878 1.934 1.536 61 HB2 HIS 22 HB2 HIS 22 15.982 3.904 2.445 62 HB3 HIS 22 HB1 HIS 22 14.733 3.227 3.473 63 HD1 HIS 22 HD1 HIS 22 16.536 2.200 5.028 64 HD2 HIS 22 HD2 HIS 22 16.651 0.779 1.125 65 HE1 HIS 22 HE1 HIS 22 18.026 0.176 5.089 66 HE2 HIS 22 HE2 HIS 22 18.240 -0.536 2.681 67 H SER 23 HN SER 23 15.015 5.040 0.333 68 HA SER 23 HA SER 23 12.789 6.544 1.259 69 HB2 SER 23 HB2 SER 23 14.620 7.204 -1.056 70 HB3 SER 23 HB1 SER 23 13.693 8.333 -0.068 71 HG SER 23 HG SER 23 15.174 8.247 1.436 72 H GLU 24 HN GLU 24 13.503 4.674 -1.612 73 HA GLU 24 HA GLU 24 11.316 5.515 -3.187 74 HB2 GLU 24 HB2 GLU 24 12.981 3.015 -3.158 75 HB3 GLU 24 HB1 GLU 24 11.603 3.174 -4.236 76 HG2 GLU 24 HG2 GLU 24 13.995 4.997 -4.159 77 HG3 GLU 24 HG1 GLU 24 13.688 3.737 -5.353 78 H ARG 25 HN ARG 25 11.676 2.781 -0.912 79 HA ARG 25 HA ARG 25 8.994 1.921 -1.256 80 HB2 ARG 25 HB2 ARG 25 9.334 0.422 0.525 81 HB3 ARG 25 HB1 ARG 25 10.907 0.563 -0.243 82 HG2 ARG 25 HG2 ARG 25 11.832 1.655 1.534 83 HG3 ARG 25 HG1 ARG 25 10.293 2.346 2.051 84 HD2 ARG 25 HD2 ARG 25 11.145 -0.533 2.329 85 HD3 ARG 25 HD1 ARG 25 11.046 0.655 3.628 86 HE ARG 25 HE ARG 25 8.752 -0.482 2.158 87 HH11 ARG 25 HH11 ARG 25 10.009 1.311 4.900 88 HH12 ARG 25 HH12 ARG 25 8.554 1.149 5.828 89 HH21 ARG 25 HH21 ARG 25 6.853 -0.690 3.362 90 HH22 ARG 25 HH22 ARG 25 6.733 0.039 4.947 91 H GLU 26 HN GLU 26 10.579 4.172 0.928 92 HA GLU 26 HA GLU 26 8.490 4.570 2.737 93 HB2 GLU 26 HB2 GLU 26 10.770 5.332 3.132 94 HB3 GLU 26 HB1 GLU 26 10.638 6.476 1.807 95 HG2 GLU 26 HG2 GLU 26 8.928 7.697 3.009 96 HG3 GLU 26 HG1 GLU 26 9.013 6.539 4.334 97 H LYS 27 HN LYS 27 9.219 6.256 -0.315 98 HA LYS 27 HA LYS 27 7.101 8.121 -0.025 99 HB2 LYS 27 HB2 LYS 27 7.491 8.724 -2.336 100 HB3 LYS 27 HB1 LYS 27 9.029 8.530 -1.510 101 HG2 LYS 27 HG2 LYS 27 9.243 6.285 -2.510 102 HG3 LYS 27 HG1 LYS 27 7.746 6.570 -3.400 103 HD2 LYS 27 HD2 LYS 27 10.245 8.246 -3.612 104 HD3 LYS 27 HD1 LYS 27 9.756 7.001 -4.760 105 HE2 LYS 27 HE2 LYS 27 7.729 8.251 -5.272 106 HE3 LYS 27 HE1 LYS 27 8.170 9.479 -4.089 107 HZ1 LYS 27 HZ1 LYS 27 9.692 8.811 -6.548 108 HZ2 LYS 27 HZ2 LYS 27 10.146 9.967 -5.404 109 HZ3 LYS 27 HZ3 LYS 27 8.739 10.189 -6.313 110 H ARG 28 HN ARG 28 7.322 4.908 -1.420 111 HA ARG 28 HA ARG 28 4.843 4.890 -2.758 112 HB2 ARG 28 HB2 ARG 28 6.320 2.598 -1.457 113 HB3 ARG 28 HB1 ARG 28 4.961 2.429 -2.554 114 HG2 ARG 28 HG2 ARG 28 6.303 3.541 -4.312 115 HG3 ARG 28 HG1 ARG 28 7.678 3.536 -3.204 116 HD2 ARG 28 HD2 ARG 28 6.213 1.157 -4.326 117 HD3 ARG 28 HD1 ARG 28 7.874 1.641 -4.648 118 HE ARG 28 HE ARG 28 7.196 1.010 -1.886 119 HH11 ARG 28 HH11 ARG 28 8.688 -0.009 -4.883 120 HH12 ARG 28 HH12 ARG 28 9.547 -1.330 -4.152 121 HH21 ARG 28 HH21 ARG 28 8.318 -0.741 -0.915 122 HH22 ARG 28 HH22 ARG 28 9.334 -1.747 -1.916 123 H VAL 29 HN VAL 29 5.745 3.944 0.540 124 HA VAL 29 HA VAL 29 3.202 3.069 1.344 125 HB VAL 29 HB VAL 29 5.411 4.245 3.047 126 HG11 VAL 29 HG11 VAL 29 4.336 3.048 4.908 127 HG12 VAL 29 HG12 VAL 29 3.008 2.596 3.840 128 HG13 VAL 29 HG13 VAL 29 3.288 4.292 4.231 129 HG21 VAL 29 HG21 VAL 29 5.981 1.902 3.510 130 HG22 VAL 29 HG22 VAL 29 6.138 2.289 1.797 131 HG23 VAL 29 HG23 VAL 29 4.739 1.382 2.370 132 H SER 30 HN SER 30 4.773 6.259 1.656 133 HA SER 30 HA SER 30 2.644 7.497 3.008 134 HB2 SER 30 HB2 SER 30 3.687 9.627 1.932 135 HB3 SER 30 HB1 SER 30 4.625 8.702 3.102 136 HG SER 30 HG SER 30 4.863 8.759 0.286 137 H ASN 31 HN ASN 31 3.288 7.123 -0.451 138 HA ASN 31 HA ASN 31 1.186 8.706 -1.430 139 HB2 ASN 31 HB2 ASN 31 2.450 6.211 -2.589 140 HB3 ASN 31 HB1 ASN 31 1.294 7.210 -3.451 141 HD21 ASN 31 HD21 ASN 31 4.004 6.575 -4.167 142 HD22 ASN 31 HD22 ASN 31 4.845 8.080 -4.280 143 H ALA 32 HN ALA 32 1.308 5.342 -0.416 144 HA ALA 32 HA ALA 32 -1.362 4.723 -1.193 145 HB1 ALA 32 HB1 ALA 32 0.342 3.002 -0.987 146 HB2 ALA 32 HB2 ALA 32 -1.027 2.664 0.074 147 HB3 ALA 32 HB3 ALA 32 0.468 3.321 0.742 148 H VAL 33 HN VAL 33 0.164 5.576 1.883 149 HA VAL 33 HA VAL 33 -2.122 5.259 3.482 150 HB VAL 33 HB VAL 33 0.242 7.107 3.886 151 HG11 VAL 33 HG11 VAL 33 -1.758 6.122 5.916 152 HG12 VAL 33 HG12 VAL 33 -1.702 7.757 5.258 153 HG13 VAL 33 HG13 VAL 33 -0.361 7.150 6.231 154 HG21 VAL 33 HG21 VAL 33 -0.313 4.313 4.876 155 HG22 VAL 33 HG22 VAL 33 1.050 5.314 5.375 156 HG23 VAL 33 HG23 VAL 33 0.910 4.788 3.698 157 H GLU 34 HN GLU 34 -0.888 8.079 1.701 158 HA GLU 34 HA GLU 34 -2.897 9.845 2.664 159 HB2 GLU 34 HB2 GLU 34 -2.044 11.439 1.147 160 HB3 GLU 34 HB1 GLU 34 -0.657 10.483 1.644 161 HG2 GLU 34 HG2 GLU 34 -0.695 9.262 -0.422 162 HG3 GLU 34 HG1 GLU 34 -2.165 10.098 -0.923 163 H PHE 35 HN PHE 35 -2.667 7.700 -0.114 164 HA PHE 35 HA PHE 35 -5.008 8.659 -1.429 165 HB2 PHE 35 HB2 PHE 35 -3.369 7.519 -2.740 166 HB3 PHE 35 HB1 PHE 35 -3.380 6.127 -1.667 167 HD1 PHE 35 HD1 PHE 35 -4.695 4.292 -2.156 168 HD2 PHE 35 HD2 PHE 35 -5.537 8.011 -4.041 169 HE1 PHE 35 HE1 PHE 35 -6.339 3.177 -3.606 170 HE2 PHE 35 HE2 PHE 35 -7.188 6.906 -5.491 171 HZ PHE 35 HZ PHE 35 -7.593 4.488 -5.275 172 H LEU 36 HN LEU 36 -4.327 5.956 0.742 173 HA LEU 36 HA LEU 36 -6.900 4.806 0.642 174 HB2 LEU 36 HB2 LEU 36 -4.694 4.639 2.673 175 HB3 LEU 36 HB1 LEU 36 -6.162 3.691 2.785 176 HG LEU 36 HG LEU 36 -4.140 3.562 0.547 177 HD11 LEU 36 HD11 LEU 36 -3.304 2.622 2.634 178 HD12 LEU 36 HD12 LEU 36 -3.617 1.356 1.445 179 HD13 LEU 36 HD13 LEU 36 -4.751 1.623 2.769 180 HD21 LEU 36 HD21 LEU 36 -5.426 1.592 -0.176 181 HD22 LEU 36 HD22 LEU 36 -6.362 3.082 -0.277 182 HD23 LEU 36 HD23 LEU 36 -6.639 1.956 1.052 183 H LEU 37 HN LEU 37 -5.589 7.444 2.488 184 HA LEU 37 HA LEU 37 -7.726 7.393 4.435 185 HB2 LEU 37 HB2 LEU 37 -5.233 8.943 4.040 186 HB3 LEU 37 HB1 LEU 37 -6.518 9.723 4.941 187 HG LEU 37 HG LEU 37 -5.331 7.041 5.640 188 HD11 LEU 37 HD11 LEU 37 -4.244 8.222 7.486 189 HD12 LEU 37 HD12 LEU 37 -4.849 9.756 6.860 190 HD13 LEU 37 HD13 LEU 37 -3.687 8.818 5.922 191 HD21 LEU 37 HD21 LEU 37 -6.537 7.393 7.758 192 HD22 LEU 37 HD22 LEU 37 -7.624 7.284 6.374 193 HD23 LEU 37 HD23 LEU 37 -7.256 8.855 7.083 194 H ASP 38 HN ASP 38 -7.809 8.294 1.344 195 HA ASP 38 HA ASP 38 -9.078 10.861 1.646 196 HB2 ASP 38 HB2 ASP 38 -7.888 10.354 -0.431 197 HB3 ASP 38 HB1 ASP 38 -8.974 9.009 -0.744 198 H SER 39 HN SER 39 -11.248 11.316 1.630 199 HA SER 39 HA SER 39 -12.955 9.473 2.818 200 HB2 SER 39 HB2 SER 39 -13.724 11.932 1.240 201 HB3 SER 39 HB1 SER 39 -14.719 11.112 2.441 202 HG SER 39 HG SER 39 -13.386 11.784 4.035 203 H ARG 40 HN ARG 40 -12.663 10.356 -0.627 204 HA ARG 40 HA ARG 40 -14.914 8.805 -1.444 205 HB2 ARG 40 HB2 ARG 40 -12.541 9.806 -3.019 206 HB3 ARG 40 HB1 ARG 40 -13.934 9.011 -3.734 207 HG2 ARG 40 HG2 ARG 40 -13.941 11.627 -2.249 208 HG3 ARG 40 HG1 ARG 40 -14.092 11.409 -3.990 209 HD2 ARG 40 HD2 ARG 40 -16.295 11.653 -3.401 210 HD3 ARG 40 HD1 ARG 40 -16.126 9.902 -3.306 211 HE ARG 40 HE ARG 40 -15.650 11.354 -0.842 212 HH11 ARG 40 HH11 ARG 40 -17.937 9.572 -2.796 213 HH12 ARG 40 HH12 ARG 40 -19.026 9.275 -1.480 214 HH21 ARG 40 HH21 ARG 40 -17.088 10.978 0.899 215 HH22 ARG 40 HH22 ARG 40 -18.538 10.069 0.624 216 H VAL 41 HN VAL 41 -11.469 8.211 -1.158 217 HA VAL 41 HA VAL 41 -11.540 5.609 -2.324 218 HB VAL 41 HB VAL 41 -9.469 6.807 -0.474 219 HG11 VAL 41 HG11 VAL 41 -9.303 4.446 -2.346 220 HG12 VAL 41 HG12 VAL 41 -9.288 4.384 -0.583 221 HG13 VAL 41 HG13 VAL 41 -7.952 5.140 -1.450 222 HG21 VAL 41 HG21 VAL 41 -9.575 6.713 -3.487 223 HG22 VAL 41 HG22 VAL 41 -8.245 7.348 -2.518 224 HG23 VAL 41 HG23 VAL 41 -9.817 8.147 -2.491 225 H ARG 42 HN ARG 42 -12.083 6.878 0.878 226 HA ARG 42 HA ARG 42 -12.110 4.338 2.180 227 HB2 ARG 42 HB2 ARG 42 -13.405 6.961 2.931 228 HB3 ARG 42 HB1 ARG 42 -13.393 5.538 3.964 229 HG2 ARG 42 HG2 ARG 42 -10.941 5.592 3.997 230 HG3 ARG 42 HG1 ARG 42 -10.971 7.039 2.988 231 HD2 ARG 42 HD2 ARG 42 -10.662 7.686 5.282 232 HD3 ARG 42 HD1 ARG 42 -12.266 8.191 4.753 233 HE ARG 42 HE ARG 42 -12.605 5.712 5.905 234 HH11 ARG 42 HH11 ARG 42 -11.440 8.852 6.920 235 HH12 ARG 42 HH12 ARG 42 -11.886 8.626 8.581 236 HH21 ARG 42 HH21 ARG 42 -13.203 5.405 8.088 237 HH22 ARG 42 HH22 ARG 42 -12.898 6.658 9.247 238 H ARG 43 HN ARG 43 -14.290 5.910 0.067 239 HA ARG 43 HA ARG 43 -16.585 4.340 0.979 240 HB2 ARG 43 HB2 ARG 43 -16.362 6.543 -1.076 241 HB3 ARG 43 HB1 ARG 43 -17.856 5.713 -0.666 242 HG2 ARG 43 HG2 ARG 43 -16.184 7.308 1.262 243 HG3 ARG 43 HG1 ARG 43 -17.635 7.892 0.447 244 HD2 ARG 43 HD2 ARG 43 -17.519 5.514 2.295 245 HD3 ARG 43 HD1 ARG 43 -18.075 7.123 2.748 246 HE ARG 43 HE ARG 43 -19.638 6.529 0.635 247 HH11 ARG 43 HH11 ARG 43 -18.843 4.711 3.513 248 HH12 ARG 43 HH12 ARG 43 -20.408 3.976 3.637 249 HH21 ARG 43 HH21 ARG 43 -21.691 5.565 0.781 250 HH22 ARG 43 HH22 ARG 43 -22.031 4.455 2.070 251 H THR 44 HN THR 44 -14.088 3.571 -0.793 252 HA THR 44 HA THR 44 -15.618 2.200 -2.905 253 HB THR 44 HB THR 44 -12.910 1.839 -3.430 254 HG1 THR 44 HG1 THR 44 -13.280 4.592 -2.866 255 HG21 THR 44 HG21 THR 44 -14.647 4.045 -4.541 256 HG22 THR 44 HG22 THR 44 -14.756 2.359 -5.041 257 HG23 THR 44 HG23 THR 44 -13.273 3.269 -5.330 258 HA PRO 45 HA PRO 45 -14.527 -1.785 -1.153 259 HB2 PRO 45 HB2 PRO 45 -13.770 -3.258 -3.297 260 HB3 PRO 45 HB1 PRO 45 -15.456 -2.817 -2.998 261 HG2 PRO 45 HG2 PRO 45 -13.456 -1.535 -4.825 262 HG3 PRO 45 HG1 PRO 45 -15.155 -1.946 -5.141 263 HD2 PRO 45 HD2 PRO 45 -14.381 0.557 -4.513 264 HD3 PRO 45 HD1 PRO 45 -15.942 -0.101 -3.992 265 H THR 46 HN THR 46 -12.746 -3.146 -0.602 266 HA THR 46 HA THR 46 -10.293 -1.756 -0.367 267 HB THR 46 HB THR 46 -10.299 -4.691 0.031 268 HG1 THR 46 HG1 THR 46 -11.576 -4.339 2.005 269 HG21 THR 46 HG21 THR 46 -8.459 -3.220 0.783 270 HG22 THR 46 HG22 THR 46 -9.223 -4.079 2.119 271 HG23 THR 46 HG23 THR 46 -9.592 -2.379 1.844 272 H SER 47 HN SER 47 -11.472 -4.222 -2.543 273 HA SER 47 HA SER 47 -9.068 -5.220 -3.525 274 HB2 SER 47 HB2 SER 47 -10.495 -5.784 -5.570 275 HB3 SER 47 HB1 SER 47 -11.047 -6.416 -4.018 276 HG SER 47 HG SER 47 -12.329 -4.792 -5.717 277 H SER 48 HN SER 48 -10.988 -2.467 -4.591 278 HA SER 48 HA SER 48 -9.567 -1.846 -6.909 279 HB2 SER 48 HB2 SER 48 -11.125 -0.099 -4.999 280 HB3 SER 48 HB1 SER 48 -10.596 0.388 -6.600 281 HG SER 48 HG SER 48 -11.825 -1.912 -6.906 282 H LYS 49 HN LYS 49 -9.172 -0.846 -3.570 283 HA LYS 49 HA LYS 49 -7.192 1.115 -3.966 284 HB2 LYS 49 HB2 LYS 49 -7.476 -0.613 -1.520 285 HB3 LYS 49 HB1 LYS 49 -6.888 1.044 -1.605 286 HG2 LYS 49 HG2 LYS 49 -9.120 1.787 -2.246 287 HG3 LYS 49 HG1 LYS 49 -9.700 0.126 -2.132 288 HD2 LYS 49 HD2 LYS 49 -8.791 0.232 0.288 289 HD3 LYS 49 HD1 LYS 49 -8.834 1.984 0.048 290 HE2 LYS 49 HE2 LYS 49 -11.075 0.024 0.156 291 HE3 LYS 49 HE1 LYS 49 -10.936 1.614 0.897 292 HZ1 LYS 49 HZ1 LYS 49 -11.253 1.161 -2.010 293 HZ2 LYS 49 HZ2 LYS 49 -11.276 2.653 -1.202 294 HZ3 LYS 49 HZ3 LYS 49 -12.518 1.532 -0.950 295 H VAL 50 HN VAL 50 -7.010 -2.316 -3.156 296 HA VAL 50 HA VAL 50 -4.210 -2.393 -2.756 297 HB VAL 50 HB VAL 50 -6.058 -4.652 -3.545 298 HG11 VAL 50 HG11 VAL 50 -3.709 -5.182 -3.961 299 HG12 VAL 50 HG12 VAL 50 -4.350 -6.126 -2.618 300 HG13 VAL 50 HG13 VAL 50 -3.312 -4.738 -2.302 301 HG21 VAL 50 HG21 VAL 50 -5.121 -3.741 -0.827 302 HG22 VAL 50 HG22 VAL 50 -6.100 -5.170 -1.152 303 HG23 VAL 50 HG23 VAL 50 -6.751 -3.564 -1.476 304 H HIS 51 HN HIS 51 -6.229 -3.111 -5.565 305 HA HIS 51 HA HIS 51 -4.126 -3.956 -7.257 306 HB2 HIS 51 HB2 HIS 51 -6.894 -2.904 -7.823 307 HB3 HIS 51 HB1 HIS 51 -5.795 -3.402 -9.104 308 HD1 HIS 51 HD1 HIS 51 -7.140 -5.421 -9.866 309 HD2 HIS 51 HD2 HIS 51 -6.212 -5.514 -5.815 310 HE1 HIS 51 HE1 HIS 51 -7.783 -7.717 -9.071 311 HE2 HIS 51 HE2 HIS 51 -7.167 -7.776 -6.633 312 H PHE 52 HN PHE 52 -5.633 -0.817 -6.686 313 HA PHE 52 HA PHE 52 -4.284 0.633 -8.682 314 HB2 PHE 52 HB2 PHE 52 -6.242 1.520 -7.513 315 HB3 PHE 52 HB1 PHE 52 -5.348 1.552 -5.998 316 HD1 PHE 52 HD1 PHE 52 -3.695 3.263 -5.565 317 HD2 PHE 52 HD2 PHE 52 -5.848 3.176 -9.232 318 HE1 PHE 52 HE1 PHE 52 -2.976 5.566 -6.036 319 HE2 PHE 52 HE2 PHE 52 -5.129 5.478 -9.712 320 HZ PHE 52 HZ PHE 52 -3.693 6.677 -8.111 321 H LEU 53 HN LEU 53 -3.508 0.075 -5.264 322 HA LEU 53 HA LEU 53 -1.168 1.643 -5.231 323 HB2 LEU 53 HB2 LEU 53 -1.951 -0.690 -3.487 324 HB3 LEU 53 HB1 LEU 53 -0.627 0.410 -3.154 325 HG LEU 53 HG LEU 53 -3.553 1.145 -3.270 326 HD11 LEU 53 HD11 LEU 53 -1.626 0.879 -0.971 327 HD12 LEU 53 HD12 LEU 53 -3.065 -0.095 -1.280 328 HD13 LEU 53 HD13 LEU 53 -3.228 1.609 -0.857 329 HD21 LEU 53 HD21 LEU 53 -2.800 3.343 -2.455 330 HD22 LEU 53 HD22 LEU 53 -2.198 2.979 -4.071 331 HD23 LEU 53 HD23 LEU 53 -1.127 2.833 -2.678 332 H LYS 54 HN LYS 54 -1.723 -1.770 -5.972 333 HA LYS 54 HA LYS 54 0.965 -2.535 -6.172 334 HB2 LYS 54 HB2 LYS 54 -0.878 -4.131 -6.061 335 HB3 LYS 54 HB1 LYS 54 -1.478 -3.561 -7.613 336 HG2 LYS 54 HG2 LYS 54 0.669 -4.290 -8.629 337 HG3 LYS 54 HG1 LYS 54 1.090 -5.018 -7.078 338 HD2 LYS 54 HD2 LYS 54 -0.701 -6.547 -7.205 339 HD3 LYS 54 HD1 LYS 54 -1.445 -5.673 -8.548 340 HE2 LYS 54 HE2 LYS 54 0.513 -6.204 -9.926 341 HE3 LYS 54 HE1 LYS 54 1.166 -7.156 -8.596 342 HZ1 LYS 54 HZ1 LYS 54 -0.764 -8.599 -8.725 343 HZ2 LYS 54 HZ2 LYS 54 0.032 -8.550 -10.214 344 HZ3 LYS 54 HZ3 LYS 54 -1.400 -7.682 -9.994 345 H SER 55 HN SER 55 -1.300 -1.091 -8.462 346 HA SER 55 HA SER 55 0.382 -1.208 -10.735 347 HB2 SER 55 HB2 SER 55 -2.077 -0.818 -10.835 348 HB3 SER 55 HB1 SER 55 -1.828 0.780 -10.134 349 HG SER 55 HG SER 55 -0.684 -0.125 -12.578 350 H LYS 56 HN LYS 56 0.223 0.874 -7.982 351 HA LYS 56 HA LYS 56 1.784 3.003 -9.108 352 HB2 LYS 56 HB2 LYS 56 0.799 2.318 -6.361 353 HB3 LYS 56 HB1 LYS 56 2.003 3.574 -6.578 354 HG2 LYS 56 HG2 LYS 56 -0.697 3.543 -7.905 355 HG3 LYS 56 HG1 LYS 56 -0.300 4.437 -6.434 356 HD2 LYS 56 HD2 LYS 56 1.502 5.598 -7.747 357 HD3 LYS 56 HD1 LYS 56 0.845 4.836 -9.195 358 HE2 LYS 56 HE2 LYS 56 -1.311 5.917 -8.778 359 HE3 LYS 56 HE1 LYS 56 -0.646 6.680 -7.334 360 HZ1 LYS 56 HZ1 LYS 56 -0.606 8.221 -9.153 361 HZ2 LYS 56 HZ2 LYS 56 0.240 7.132 -10.131 362 HZ3 LYS 56 HZ3 LYS 56 0.985 7.799 -8.768 363 H GLY 57 HN GLY 57 2.559 -0.091 -8.209 364 HA2 GLY 57 HA2 GLY 57 4.776 -0.904 -8.483 365 HA3 GLY 57 HA1 GLY 57 5.384 0.672 -8.004 366 H LEU 58 HN LEU 58 2.878 -0.268 -5.988 367 HA LEU 58 HA LEU 58 4.727 -0.745 -3.834 368 HB2 LEU 58 HB2 LEU 58 1.774 -0.416 -4.027 369 HB3 LEU 58 HB1 LEU 58 2.438 -1.214 -2.616 370 HG LEU 58 HG LEU 58 3.938 0.869 -2.402 371 HD11 LEU 58 HD11 LEU 58 1.779 1.947 -4.201 372 HD12 LEU 58 HD12 LEU 58 3.506 1.859 -4.555 373 HD13 LEU 58 HD13 LEU 58 2.920 2.926 -3.279 374 HD21 LEU 58 HD21 LEU 58 0.980 1.029 -1.892 375 HD22 LEU 58 HD22 LEU 58 2.223 2.003 -1.105 376 HD23 LEU 58 HD23 LEU 58 2.178 0.257 -0.853 377 H SER 59 HN SER 59 4.970 -2.551 -2.650 378 HA SER 59 HA SER 59 4.243 -5.065 -3.894 379 HB2 SER 59 HB2 SER 59 5.842 -4.520 -1.386 380 HB3 SER 59 HB1 SER 59 5.788 -6.035 -2.291 381 HG SER 59 HG SER 59 7.591 -5.053 -3.016 382 H ALA 60 HN ALA 60 3.407 -6.823 -2.390 383 HA ALA 60 HA ALA 60 0.933 -6.066 -1.333 384 HB1 ALA 60 HB1 ALA 60 1.451 -8.334 -2.117 385 HB2 ALA 60 HB2 ALA 60 0.769 -8.336 -0.490 386 HB3 ALA 60 HB3 ALA 60 2.502 -8.563 -0.721 387 H GLU 61 HN GLU 61 4.046 -6.563 0.210 388 HA GLU 61 HA GLU 61 3.205 -6.399 2.892 389 HB2 GLU 61 HB2 GLU 61 5.867 -5.527 1.761 390 HB3 GLU 61 HB1 GLU 61 5.532 -6.003 3.419 391 HG2 GLU 61 HG2 GLU 61 5.054 -8.274 2.681 392 HG3 GLU 61 HG1 GLU 61 5.361 -7.801 1.010 393 H GLU 62 HN GLU 62 4.267 -3.952 0.588 394 HA GLU 62 HA GLU 62 4.304 -1.751 2.344 395 HB2 GLU 62 HB2 GLU 62 3.745 -1.720 -0.629 396 HB3 GLU 62 HB1 GLU 62 4.348 -0.384 0.342 397 HG2 GLU 62 HG2 GLU 62 5.818 -2.968 -0.108 398 HG3 GLU 62 HG1 GLU 62 6.081 -1.487 -1.025 399 H ILE 63 HN ILE 63 1.844 -3.009 0.157 400 HA ILE 63 HA ILE 63 -0.152 -1.097 0.645 401 HB ILE 63 HB ILE 63 -0.462 -4.015 -0.098 402 HG12 ILE 63 HG12 ILE 63 -0.379 -1.579 -1.888 403 HG13 ILE 63 HG11 ILE 63 0.997 -2.637 -1.604 404 HG21 ILE 63 HG21 ILE 63 -2.610 -3.268 -1.093 405 HG22 ILE 63 HG22 ILE 63 -2.376 -1.701 -0.321 406 HG23 ILE 63 HG23 ILE 63 -2.563 -3.151 0.665 407 HD11 ILE 63 HD11 ILE 63 -0.079 -3.159 -3.704 408 HD12 ILE 63 HD12 ILE 63 -1.614 -3.424 -2.876 409 HD13 ILE 63 HD13 ILE 63 -0.249 -4.503 -2.574 410 H CYS 64 HN CYS 64 0.578 -4.181 2.195 411 HA CYS 64 HA CYS 64 -1.527 -4.307 4.012 412 HB2 CYS 64 HB2 CYS 64 -0.044 -6.189 3.616 413 HB3 CYS 64 HB1 CYS 64 1.324 -5.289 4.256 414 HG CYS 64 HG CYS 64 -1.359 -5.956 6.255 415 H GLU 65 HN GLU 65 1.681 -2.785 4.359 416 HA GLU 65 HA GLU 65 1.239 -1.922 7.015 417 HB2 GLU 65 HB2 GLU 65 3.491 -2.103 6.342 418 HB3 GLU 65 HB1 GLU 65 3.228 -1.132 4.899 419 HG2 GLU 65 HG2 GLU 65 3.164 0.845 6.085 420 HG3 GLU 65 HG1 GLU 65 2.830 0.040 7.615 421 H ALA 66 HN ALA 66 0.903 -0.297 3.871 422 HA ALA 66 HA ALA 66 0.314 2.261 4.798 423 HB1 ALA 66 HB1 ALA 66 0.789 1.785 2.461 424 HB2 ALA 66 HB2 ALA 66 -0.753 2.629 2.622 425 HB3 ALA 66 HB3 ALA 66 -0.725 0.891 2.322 426 H PHE 67 HN PHE 67 -1.855 -0.482 4.193 427 HA PHE 67 HA PHE 67 -4.253 0.827 4.825 428 HB2 PHE 67 HB2 PHE 67 -3.358 -2.001 4.692 429 HB3 PHE 67 HB1 PHE 67 -4.823 -1.673 5.605 430 HD1 PHE 67 HD1 PHE 67 -3.373 -2.039 2.343 431 HD2 PHE 67 HD2 PHE 67 -6.729 -0.519 4.464 432 HE1 PHE 67 HE1 PHE 67 -4.669 -1.991 0.254 433 HE2 PHE 67 HE2 PHE 67 -8.031 -0.469 2.381 434 HZ PHE 67 HZ PHE 67 -7.000 -1.208 0.272 435 H THR 68 HN THR 68 -1.992 -0.985 6.860 436 HA THR 68 HA THR 68 -3.481 -0.761 9.239 437 HB THR 68 HB THR 68 -0.471 -0.980 9.035 438 HG1 THR 68 HG1 THR 68 -1.321 -2.645 7.795 439 HG21 THR 68 HG21 THR 68 -0.685 -2.176 11.161 440 HG22 THR 68 HG22 THR 68 -2.432 -1.921 11.134 441 HG23 THR 68 HG23 THR 68 -1.338 -0.541 11.284 442 H LYS 69 HN LYS 69 -1.186 1.350 7.652 443 HA LYS 69 HA LYS 69 -0.765 3.180 9.757 444 HB2 LYS 69 HB2 LYS 69 -0.574 3.466 6.763 445 HB3 LYS 69 HB1 LYS 69 -0.105 4.737 7.882 446 HG2 LYS 69 HG2 LYS 69 1.103 2.126 8.427 447 HG3 LYS 69 HG1 LYS 69 1.561 2.848 6.888 448 HD2 LYS 69 HD2 LYS 69 1.706 4.282 9.531 449 HD3 LYS 69 HD1 LYS 69 3.064 3.424 8.797 450 HE2 LYS 69 HE2 LYS 69 2.883 4.870 6.823 451 HE3 LYS 69 HE1 LYS 69 1.562 5.742 7.594 452 HZ1 LYS 69 HZ1 LYS 69 4.332 5.564 8.648 453 HZ2 LYS 69 HZ2 LYS 69 3.062 6.445 9.330 454 HZ3 LYS 69 HZ3 LYS 69 3.684 6.892 7.825 455 H VAL 70 HN VAL 70 -3.305 2.912 7.323 456 HA VAL 70 HA VAL 70 -4.329 5.552 7.969 457 HB VAL 70 HB VAL 70 -6.020 5.199 6.280 458 HG11 VAL 70 HG11 VAL 70 -3.658 5.831 5.683 459 HG12 VAL 70 HG12 VAL 70 -4.633 5.173 4.380 460 HG13 VAL 70 HG13 VAL 70 -3.427 4.160 5.169 461 HG21 VAL 70 HG21 VAL 70 -6.507 2.837 6.659 462 HG22 VAL 70 HG22 VAL 70 -4.928 2.398 6.004 463 HG23 VAL 70 HG23 VAL 70 -6.141 3.142 4.960 464 H GLY 71 HN GLY 71 -4.524 2.673 9.477 465 HA2 GLY 71 HA2 GLY 71 -5.806 2.435 11.468 466 HA3 GLY 71 HA1 GLY 71 -7.038 3.469 10.763 467 H GLN 72 HN GLN 72 -5.799 1.095 8.672 468 HA GLN 72 HA GLN 72 -8.084 -0.681 9.229 469 HB2 GLN 72 HB2 GLN 72 -8.490 0.554 7.171 470 HB3 GLN 72 HB1 GLN 72 -6.895 0.138 6.567 471 HG2 GLN 72 HG2 GLN 72 -8.335 -1.278 5.422 472 HG3 GLN 72 HG1 GLN 72 -7.666 -2.286 6.701 473 HE21 GLN 72 HE21 GLN 72 -10.458 -0.647 5.506 474 HE22 GLN 72 HE22 GLN 72 -11.615 -1.433 6.523 475 HA PRO 73 HA PRO 73 -4.223 -3.082 9.664 476 HB2 PRO 73 HB2 PRO 73 -5.218 -4.892 11.429 477 HB3 PRO 73 HB1 PRO 73 -4.553 -3.327 11.907 478 HG2 PRO 73 HG2 PRO 73 -7.393 -4.177 11.634 479 HG3 PRO 73 HG1 PRO 73 -6.659 -3.081 12.814 480 HD2 PRO 73 HD2 PRO 73 -8.097 -2.252 10.629 481 HD3 PRO 73 HD1 PRO 73 -6.850 -1.271 11.424 482 H LYS 74 HN LYS 74 -4.161 -3.981 7.680 483 HA LYS 74 HA LYS 74 -5.925 -6.259 7.141 484 HB2 LYS 74 HB2 LYS 74 -4.328 -4.472 5.319 485 HB3 LYS 74 HB1 LYS 74 -4.960 -6.020 4.777 486 HG2 LYS 74 HG2 LYS 74 -6.552 -3.670 5.772 487 HG3 LYS 74 HG1 LYS 74 -6.467 -4.279 4.116 488 HD2 LYS 74 HD2 LYS 74 -7.349 -6.473 5.030 489 HD3 LYS 74 HD1 LYS 74 -7.694 -5.602 6.524 490 HE2 LYS 74 HE2 LYS 74 -9.145 -4.076 5.316 491 HE3 LYS 74 HE1 LYS 74 -8.774 -4.902 3.803 492 HZ1 LYS 74 HZ1 LYS 74 -10.339 -5.893 6.100 493 HZ2 LYS 74 HZ2 LYS 74 -9.644 -6.972 4.995 494 HZ3 LYS 74 HZ3 LYS 74 -10.780 -5.827 4.465 495 H THR 75 HN THR 75 -5.136 -8.242 6.683 496 HA THR 75 HA THR 75 -2.439 -8.786 7.577 497 HB THR 75 HB THR 75 -3.065 -11.171 7.149 498 HG1 THR 75 HG1 THR 75 -5.613 -10.033 6.509 499 HG21 THR 75 HG21 THR 75 -3.436 -10.168 9.347 500 HG22 THR 75 HG22 THR 75 -4.705 -11.332 8.962 501 HG23 THR 75 HG23 THR 75 -5.024 -9.604 8.826 502 H LEU 76 HN LEU 76 -0.885 -9.956 6.301 503 HA LEU 76 HA LEU 76 -0.567 -9.013 3.668 504 HB2 LEU 76 HB2 LEU 76 1.299 -9.746 5.115 505 HB3 LEU 76 HB1 LEU 76 0.731 -11.399 4.995 506 HG LEU 76 HG LEU 76 1.169 -11.359 2.565 507 HD11 LEU 76 HD11 LEU 76 2.482 -9.519 1.617 508 HD12 LEU 76 HD12 LEU 76 2.321 -8.632 3.133 509 HD13 LEU 76 HD13 LEU 76 0.893 -8.982 2.159 510 HD21 LEU 76 HD21 LEU 76 3.526 -10.592 4.282 511 HD22 LEU 76 HD22 LEU 76 3.611 -11.402 2.718 512 HD23 LEU 76 HD23 LEU 76 2.863 -12.215 4.093 513 H ASN 77 HN ASN 77 -1.972 -11.886 5.032 514 HA ASN 77 HA ASN 77 -2.272 -13.483 2.766 515 HB2 ASN 77 HB2 ASN 77 -2.750 -14.199 5.095 516 HB3 ASN 77 HB1 ASN 77 -4.187 -13.186 5.090 517 HD21 ASN 77 HD21 ASN 77 -5.646 -14.799 5.364 518 HD22 ASN 77 HD22 ASN 77 -5.957 -16.018 4.174 519 H GLU 78 HN GLU 78 -4.395 -10.970 4.087 520 HA GLU 78 HA GLU 78 -6.486 -11.204 2.243 521 HB2 GLU 78 HB2 GLU 78 -5.492 -8.923 3.922 522 HB3 GLU 78 HB1 GLU 78 -6.832 -8.701 2.805 523 HG2 GLU 78 HG2 GLU 78 -8.151 -10.311 3.947 524 HG3 GLU 78 HG1 GLU 78 -6.781 -10.811 4.929 525 H ILE 79 HN ILE 79 -3.583 -9.176 2.159 526 HA ILE 79 HA ILE 79 -4.247 -7.759 -0.167 527 HB ILE 79 HB ILE 79 -1.458 -8.466 0.754 528 HG12 ILE 79 HG12 ILE 79 -2.680 -7.463 2.602 529 HG13 ILE 79 HG11 ILE 79 -1.533 -6.294 1.959 530 HG21 ILE 79 HG21 ILE 79 -0.840 -6.367 -0.371 531 HG22 ILE 79 HG22 ILE 79 -2.503 -6.196 -0.933 532 HG23 ILE 79 HG23 ILE 79 -1.519 -7.551 -1.489 533 HD11 ILE 79 HD11 ILE 79 -3.632 -5.224 2.477 534 HD12 ILE 79 HD12 ILE 79 -4.496 -6.355 1.439 535 HD13 ILE 79 HD13 ILE 79 -3.361 -5.204 0.734 536 H LYS 80 HN LYS 80 -2.358 -10.746 0.254 537 HA LYS 80 HA LYS 80 -1.841 -11.178 -2.489 538 HB2 LYS 80 HB2 LYS 80 -2.080 -13.180 -0.238 539 HB3 LYS 80 HB1 LYS 80 -1.430 -13.530 -1.833 540 HG2 LYS 80 HG2 LYS 80 0.293 -11.771 -1.414 541 HG3 LYS 80 HG1 LYS 80 -0.290 -11.690 0.248 542 HD2 LYS 80 HD2 LYS 80 0.209 -14.057 0.546 543 HD3 LYS 80 HD1 LYS 80 0.771 -14.155 -1.122 544 HE2 LYS 80 HE2 LYS 80 2.540 -12.543 -0.616 545 HE3 LYS 80 HE1 LYS 80 1.980 -12.454 1.052 546 HZ1 LYS 80 HZ1 LYS 80 2.492 -14.795 1.314 547 HZ2 LYS 80 HZ2 LYS 80 3.865 -13.945 0.815 548 HZ3 LYS 80 HZ3 LYS 80 3.012 -14.890 -0.293 549 H ARG 81 HN ARG 81 -4.465 -12.185 -0.382 550 HA ARG 81 HA ARG 81 -5.889 -13.813 -2.161 551 HB2 ARG 81 HB2 ARG 81 -6.426 -13.753 0.188 552 HB3 ARG 81 HB1 ARG 81 -6.815 -12.043 0.105 553 HG2 ARG 81 HG2 ARG 81 -8.744 -12.551 -1.304 554 HG3 ARG 81 HG1 ARG 81 -8.353 -14.268 -1.212 555 HD2 ARG 81 HD2 ARG 81 -8.632 -14.203 1.216 556 HD3 ARG 81 HD1 ARG 81 -9.016 -12.485 1.129 557 HE ARG 81 HE ARG 81 -10.846 -13.628 -0.514 558 HH11 ARG 81 HH11 ARG 81 -9.895 -14.189 2.810 559 HH12 ARG 81 HH12 ARG 81 -11.461 -14.759 3.294 560 HH21 ARG 81 HH21 ARG 81 -12.908 -14.387 0.122 561 HH22 ARG 81 HH22 ARG 81 -13.172 -14.870 1.766 562 H ILE 82 HN ILE 82 -6.101 -10.354 -1.532 563 HA ILE 82 HA ILE 82 -8.187 -9.813 -3.361 564 HB ILE 82 HB ILE 82 -6.091 -8.009 -2.144 565 HG12 ILE 82 HG12 ILE 82 -9.017 -8.301 -1.443 566 HG13 ILE 82 HG11 ILE 82 -7.752 -9.233 -0.652 567 HG21 ILE 82 HG21 ILE 82 -8.624 -7.244 -3.588 568 HG22 ILE 82 HG22 ILE 82 -6.987 -7.042 -4.212 569 HG23 ILE 82 HG23 ILE 82 -7.504 -6.141 -2.786 570 HD11 ILE 82 HD11 ILE 82 -8.040 -6.237 -0.635 571 HD12 ILE 82 HD12 ILE 82 -6.721 -7.141 0.111 572 HD13 ILE 82 HD13 ILE 82 -8.371 -7.341 0.702 573 H LEU 83 HN LEU 83 -4.696 -9.967 -3.692 574 HA LEU 83 HA LEU 83 -4.731 -8.839 -6.353 575 HB2 LEU 83 HB2 LEU 83 -2.550 -10.153 -4.742 576 HB3 LEU 83 HB1 LEU 83 -2.315 -9.511 -6.355 577 HG LEU 83 HG LEU 83 -3.136 -7.899 -3.939 578 HD11 LEU 83 HD11 LEU 83 -0.517 -8.030 -5.422 579 HD12 LEU 83 HD12 LEU 83 -0.828 -8.649 -3.801 580 HD13 LEU 83 HD13 LEU 83 -0.907 -6.916 -4.112 581 HD21 LEU 83 HD21 LEU 83 -2.639 -5.976 -5.472 582 HD22 LEU 83 HD22 LEU 83 -4.084 -6.898 -5.875 583 HD23 LEU 83 HD23 LEU 83 -2.603 -7.133 -6.800 584 H SER 84 HN SER 84 -5.298 -11.865 -4.998 585 HA SER 84 HA SER 84 -5.431 -13.992 -5.737 586 HB2 SER 84 HB2 SER 84 -6.463 -14.225 -8.045 587 HB3 SER 84 HB1 SER 84 -7.344 -13.214 -6.903 588 HG SER 84 HG SER 84 -5.492 -11.867 -8.442 Start of MODEL 17 1 H1 LYS 15 HT1 LYS 15 28.884 13.162 -2.607 2 H2 LYS 15 HT2 LYS 15 29.765 13.676 -1.260 3 H3 LYS 15 HT3 LYS 15 28.860 14.789 -2.149 4 HA LYS 15 HA LYS 15 27.773 14.204 -0.074 5 HB2 LYS 15 HB2 LYS 15 25.584 13.712 -1.023 6 HB3 LYS 15 HB1 LYS 15 26.437 14.849 -2.054 7 HG2 LYS 15 HG2 LYS 15 27.040 13.004 -3.561 8 HG3 LYS 15 HG1 LYS 15 26.130 11.893 -2.539 9 HD2 LYS 15 HD2 LYS 15 25.002 14.270 -4.015 10 HD3 LYS 15 HD1 LYS 15 24.831 12.581 -4.493 11 HE2 LYS 15 HE2 LYS 15 23.672 12.152 -2.334 12 HE3 LYS 15 HE1 LYS 15 23.743 13.882 -1.998 13 HZ1 LYS 15 HZ1 LYS 15 21.615 13.285 -2.933 14 HZ2 LYS 15 HZ2 LYS 15 22.358 12.605 -4.288 15 HZ3 LYS 15 HZ3 LYS 15 22.457 14.272 -4.019 16 HA PRO 16 HA PRO 16 28.064 9.950 1.223 17 HB2 PRO 16 HB2 PRO 16 26.116 9.931 3.114 18 HB3 PRO 16 HB1 PRO 16 27.688 10.696 3.371 19 HG2 PRO 16 HG2 PRO 16 25.075 11.944 2.623 20 HG3 PRO 16 HG1 PRO 16 26.291 12.504 3.785 21 HD2 PRO 16 HD2 PRO 16 26.073 13.530 1.284 22 HD3 PRO 16 HD1 PRO 16 27.623 13.417 2.141 23 H GLU 17 HN GLU 17 26.888 7.980 1.089 24 HA GLU 17 HA GLU 17 24.206 8.061 -0.015 25 HB2 GLU 17 HB2 GLU 17 25.764 8.205 -1.970 26 HB3 GLU 17 HB1 GLU 17 26.442 6.656 -1.487 27 HG2 GLU 17 HG2 GLU 17 24.866 6.320 -3.261 28 HG3 GLU 17 HG1 GLU 17 24.223 5.629 -1.772 29 H VAL 18 HN VAL 18 23.328 6.890 1.572 30 HA VAL 18 HA VAL 18 24.470 4.233 2.098 31 HB VAL 18 HB VAL 18 25.062 5.733 3.923 32 HG11 VAL 18 HG11 VAL 18 23.326 6.719 5.358 33 HG12 VAL 18 HG12 VAL 18 22.101 6.188 4.206 34 HG13 VAL 18 HG13 VAL 18 23.317 7.370 3.719 35 HG21 VAL 18 HG21 VAL 18 24.120 4.460 5.804 36 HG22 VAL 18 HG22 VAL 18 24.654 3.413 4.490 37 HG23 VAL 18 HG23 VAL 18 22.936 3.745 4.711 38 H GLU 19 HN GLU 19 21.731 6.127 1.350 39 HA GLU 19 HA GLU 19 19.668 4.566 2.429 40 HB2 GLU 19 HB2 GLU 19 19.777 6.919 1.124 41 HB3 GLU 19 HB1 GLU 19 19.229 5.884 -0.186 42 HG2 GLU 19 HG2 GLU 19 17.893 6.315 2.466 43 HG3 GLU 19 HG1 GLU 19 17.347 6.869 0.889 44 H HIS 20 HN HIS 20 19.122 2.552 1.962 45 HA HIS 20 HA HIS 20 20.168 1.307 -0.449 46 HB2 HIS 20 HB2 HIS 20 20.238 0.267 1.901 47 HB3 HIS 20 HB1 HIS 20 18.521 -0.045 1.685 48 HD1 HIS 20 HD1 HIS 20 21.890 -1.220 0.651 49 HD2 HIS 20 HD2 HIS 20 17.909 -2.020 -0.253 50 HE1 HIS 20 HE1 HIS 20 21.906 -3.387 -0.623 51 HE2 HIS 20 HE2 HIS 20 19.474 -3.943 -0.985 52 H THR 21 HN THR 21 16.995 0.935 1.158 53 HA THR 21 HA THR 21 15.649 1.763 -1.293 54 HB THR 21 HB THR 21 14.880 -0.880 -0.060 55 HG1 THR 21 HG1 THR 21 16.884 -0.311 -1.980 56 HG21 THR 21 HG21 THR 21 14.444 0.307 -2.807 57 HG22 THR 21 HG22 THR 21 13.235 0.200 -1.527 58 HG23 THR 21 HG23 THR 21 13.872 -1.271 -2.263 59 H HIS 22 HN HIS 22 15.945 2.531 1.672 60 HA HIS 22 HA HIS 22 13.433 1.965 2.923 61 HB2 HIS 22 HB2 HIS 22 15.577 3.991 3.566 62 HB3 HIS 22 HB1 HIS 22 14.126 3.784 4.533 63 HD1 HIS 22 HD1 HIS 22 14.237 2.099 6.341 64 HD2 HIS 22 HD2 HIS 22 17.252 1.575 3.533 65 HE1 HIS 22 HE1 HIS 22 15.728 0.308 7.279 66 HE2 HIS 22 HE2 HIS 22 17.382 -0.162 5.441 67 H SER 23 HN SER 23 14.782 4.737 1.186 68 HA SER 23 HA SER 23 12.562 6.452 1.717 69 HB2 SER 23 HB2 SER 23 14.897 7.212 1.125 70 HB3 SER 23 HB1 SER 23 14.583 6.691 -0.527 71 HG SER 23 HG SER 23 12.995 8.570 0.889 72 H GLU 24 HN GLU 24 13.420 4.192 -0.810 73 HA GLU 24 HA GLU 24 11.415 4.887 -2.670 74 HB2 GLU 24 HB2 GLU 24 13.278 3.488 -3.331 75 HB3 GLU 24 HB1 GLU 24 12.848 2.273 -2.138 76 HG2 GLU 24 HG2 GLU 24 12.215 1.528 -4.332 77 HG3 GLU 24 HG1 GLU 24 10.771 1.825 -3.367 78 H ARG 25 HN ARG 25 11.508 2.445 -0.080 79 HA ARG 25 HA ARG 25 8.852 1.568 -0.457 80 HB2 ARG 25 HB2 ARG 25 10.094 0.027 0.721 81 HB3 ARG 25 HB1 ARG 25 10.944 1.258 1.645 82 HG2 ARG 25 HG2 ARG 25 9.038 1.607 3.043 83 HG3 ARG 25 HG1 ARG 25 8.060 0.523 2.054 84 HD2 ARG 25 HD2 ARG 25 10.567 -0.382 3.441 85 HD3 ARG 25 HD1 ARG 25 8.994 -0.409 4.235 86 HE ARG 25 HE ARG 25 8.557 -1.735 1.898 87 HH11 ARG 25 HH11 ARG 25 10.863 -2.097 4.515 88 HH12 ARG 25 HH12 ARG 25 10.972 -3.820 4.351 89 HH21 ARG 25 HH21 ARG 25 8.704 -4.000 1.683 90 HH22 ARG 25 HH22 ARG 25 9.750 -4.905 2.730 91 H GLU 26 HN GLU 26 10.337 3.900 1.771 92 HA GLU 26 HA GLU 26 8.076 4.457 3.287 93 HB2 GLU 26 HB2 GLU 26 10.291 5.151 3.984 94 HB3 GLU 26 HB1 GLU 26 10.414 6.243 2.609 95 HG2 GLU 26 HG2 GLU 26 8.594 7.575 3.484 96 HG3 GLU 26 HG1 GLU 26 8.422 6.476 4.848 97 H LYS 27 HN LYS 27 9.205 5.996 0.278 98 HA LYS 27 HA LYS 27 7.165 7.980 0.377 99 HB2 LYS 27 HB2 LYS 27 7.996 8.830 -1.608 100 HB3 LYS 27 HB1 LYS 27 9.412 8.084 -0.892 101 HG2 LYS 27 HG2 LYS 27 9.361 6.288 -2.414 102 HG3 LYS 27 HG1 LYS 27 7.730 6.699 -2.958 103 HD2 LYS 27 HD2 LYS 27 8.580 8.822 -3.860 104 HD3 LYS 27 HD1 LYS 27 10.206 8.384 -3.343 105 HE2 LYS 27 HE2 LYS 27 8.574 6.743 -5.266 106 HE3 LYS 27 HE1 LYS 27 9.693 8.005 -5.774 107 HZ1 LYS 27 HZ1 LYS 27 10.943 6.086 -5.896 108 HZ2 LYS 27 HZ2 LYS 27 10.278 5.414 -4.493 109 HZ3 LYS 27 HZ3 LYS 27 11.383 6.696 -4.379 110 H ARG 28 HN ARG 28 7.401 4.794 -1.094 111 HA ARG 28 HA ARG 28 5.050 5.022 -2.671 112 HB2 ARG 28 HB2 ARG 28 6.464 2.604 -1.549 113 HB3 ARG 28 HB1 ARG 28 5.061 2.502 -2.600 114 HG2 ARG 28 HG2 ARG 28 6.334 3.745 -4.329 115 HG3 ARG 28 HG1 ARG 28 7.750 3.660 -3.279 116 HD2 ARG 28 HD2 ARG 28 6.231 1.344 -4.466 117 HD3 ARG 28 HD1 ARG 28 7.852 1.882 -4.900 118 HE ARG 28 HE ARG 28 7.337 1.001 -2.150 119 HH11 ARG 28 HH11 ARG 28 8.890 0.454 -5.244 120 HH12 ARG 28 HH12 ARG 28 9.923 -0.799 -4.642 121 HH21 ARG 28 HH21 ARG 28 8.671 -0.623 -1.352 122 HH22 ARG 28 HH22 ARG 28 9.799 -1.421 -2.415 123 H VAL 29 HN VAL 29 5.656 3.622 0.539 124 HA VAL 29 HA VAL 29 2.994 2.971 1.137 125 HB VAL 29 HB VAL 29 5.223 3.771 3.024 126 HG11 VAL 29 HG11 VAL 29 3.935 2.626 4.761 127 HG12 VAL 29 HG12 VAL 29 2.627 2.349 3.612 128 HG13 VAL 29 HG13 VAL 29 3.040 3.992 4.098 129 HG21 VAL 29 HG21 VAL 29 5.772 1.827 1.666 130 HG22 VAL 29 HG22 VAL 29 4.257 1.055 2.136 131 HG23 VAL 29 HG23 VAL 29 5.504 1.360 3.345 132 H SER 30 HN SER 30 4.846 5.943 1.575 133 HA SER 30 HA SER 30 2.968 7.445 2.990 134 HB2 SER 30 HB2 SER 30 5.309 8.149 2.610 135 HB3 SER 30 HB1 SER 30 4.944 8.410 0.905 136 HG SER 30 HG SER 30 3.916 9.808 3.148 137 H ASN 31 HN ASN 31 3.422 7.066 -0.510 138 HA ASN 31 HA ASN 31 1.347 8.766 -1.339 139 HB2 ASN 31 HB2 ASN 31 2.549 6.336 -2.682 140 HB3 ASN 31 HB1 ASN 31 1.418 7.427 -3.464 141 HD21 ASN 31 HD21 ASN 31 4.150 6.769 -4.174 142 HD22 ASN 31 HD22 ASN 31 5.012 8.263 -4.201 143 H ALA 32 HN ALA 32 1.393 5.371 -0.453 144 HA ALA 32 HA ALA 32 -1.273 4.813 -1.275 145 HB1 ALA 32 HB1 ALA 32 0.490 3.344 0.673 146 HB2 ALA 32 HB2 ALA 32 0.406 3.062 -1.065 147 HB3 ALA 32 HB3 ALA 32 -0.995 2.726 -0.048 148 H VAL 33 HN VAL 33 0.202 5.589 1.860 149 HA VAL 33 HA VAL 33 -2.114 5.255 3.410 150 HB VAL 33 HB VAL 33 0.238 7.095 3.910 151 HG11 VAL 33 HG11 VAL 33 -1.818 6.060 5.859 152 HG12 VAL 33 HG12 VAL 33 -1.722 7.716 5.263 153 HG13 VAL 33 HG13 VAL 33 -0.418 7.057 6.252 154 HG21 VAL 33 HG21 VAL 33 -0.326 4.307 4.908 155 HG22 VAL 33 HG22 VAL 33 1.075 5.298 5.320 156 HG23 VAL 33 HG23 VAL 33 0.849 4.735 3.664 157 H GLU 34 HN GLU 34 -0.834 8.091 1.712 158 HA GLU 34 HA GLU 34 -2.829 9.868 2.672 159 HB2 GLU 34 HB2 GLU 34 -1.950 11.459 1.145 160 HB3 GLU 34 HB1 GLU 34 -0.584 10.507 1.704 161 HG2 GLU 34 HG2 GLU 34 -0.580 9.242 -0.348 162 HG3 GLU 34 HG1 GLU 34 -2.000 10.120 -0.916 163 H PHE 35 HN PHE 35 -2.590 7.781 -0.156 164 HA PHE 35 HA PHE 35 -4.908 8.803 -1.469 165 HB2 PHE 35 HB2 PHE 35 -3.194 7.663 -2.744 166 HB3 PHE 35 HB1 PHE 35 -3.385 6.206 -1.780 167 HD1 PHE 35 HD1 PHE 35 -4.847 4.535 -2.454 168 HD2 PHE 35 HD2 PHE 35 -5.193 8.420 -4.154 169 HE1 PHE 35 HE1 PHE 35 -6.486 3.675 -4.074 170 HE2 PHE 35 HE2 PHE 35 -6.836 7.569 -5.777 171 HZ PHE 35 HZ PHE 35 -7.486 5.195 -5.736 172 H LEU 36 HN LEU 36 -4.276 6.035 0.634 173 HA LEU 36 HA LEU 36 -6.852 4.906 0.493 174 HB2 LEU 36 HB2 LEU 36 -4.677 4.736 2.547 175 HB3 LEU 36 HB1 LEU 36 -6.160 3.809 2.666 176 HG LEU 36 HG LEU 36 -4.163 3.623 0.407 177 HD11 LEU 36 HD11 LEU 36 -3.265 2.749 2.497 178 HD12 LEU 36 HD12 LEU 36 -3.606 1.445 1.360 179 HD13 LEU 36 HD13 LEU 36 -4.703 1.749 2.706 180 HD21 LEU 36 HD21 LEU 36 -5.465 1.616 -0.210 181 HD22 LEU 36 HD22 LEU 36 -6.395 3.106 -0.350 182 HD23 LEU 36 HD23 LEU 36 -6.649 2.035 1.028 183 H LEU 37 HN LEU 37 -5.552 7.519 2.395 184 HA LEU 37 HA LEU 37 -7.746 7.468 4.279 185 HB2 LEU 37 HB2 LEU 37 -5.221 8.996 3.988 186 HB3 LEU 37 HB1 LEU 37 -6.528 9.775 4.861 187 HG LEU 37 HG LEU 37 -5.364 7.079 5.556 188 HD11 LEU 37 HD11 LEU 37 -4.372 8.227 7.465 189 HD12 LEU 37 HD12 LEU 37 -4.986 9.767 6.867 190 HD13 LEU 37 HD13 LEU 37 -3.768 8.885 5.946 191 HD21 LEU 37 HD21 LEU 37 -7.675 7.241 6.209 192 HD22 LEU 37 HD22 LEU 37 -7.405 8.835 6.908 193 HD23 LEU 37 HD23 LEU 37 -6.665 7.413 7.645 194 H ASP 38 HN ASP 38 -7.708 8.374 1.203 195 HA ASP 38 HA ASP 38 -9.010 10.933 1.456 196 HB2 ASP 38 HB2 ASP 38 -7.674 10.197 -0.566 197 HB3 ASP 38 HB1 ASP 38 -8.989 9.105 -0.954 198 H SER 39 HN SER 39 -11.181 11.327 1.470 199 HA SER 39 HA SER 39 -12.880 9.409 2.556 200 HB2 SER 39 HB2 SER 39 -14.698 11.088 1.953 201 HB3 SER 39 HB1 SER 39 -13.370 11.704 2.936 202 HG SER 39 HG SER 39 -14.204 12.549 0.544 203 H ARG 40 HN ARG 40 -12.388 10.392 -0.778 204 HA ARG 40 HA ARG 40 -14.626 9.011 -1.871 205 HB2 ARG 40 HB2 ARG 40 -12.029 9.861 -3.163 206 HB3 ARG 40 HB1 ARG 40 -13.460 9.320 -4.027 207 HG2 ARG 40 HG2 ARG 40 -14.670 11.241 -3.454 208 HG3 ARG 40 HG1 ARG 40 -13.522 11.687 -2.188 209 HD2 ARG 40 HD2 ARG 40 -12.942 11.639 -5.148 210 HD3 ARG 40 HD1 ARG 40 -13.271 13.085 -4.192 211 HE ARG 40 HE ARG 40 -11.186 11.877 -2.896 212 HH11 ARG 40 HH11 ARG 40 -11.719 12.977 -6.190 213 HH12 ARG 40 HH12 ARG 40 -10.052 13.365 -6.456 214 HH21 ARG 40 HH21 ARG 40 -9.009 12.393 -3.246 215 HH22 ARG 40 HH22 ARG 40 -8.503 13.029 -4.786 216 H VAL 41 HN VAL 41 -11.279 8.201 -1.250 217 HA VAL 41 HA VAL 41 -11.380 5.709 -2.675 218 HB VAL 41 HB VAL 41 -9.280 6.763 -0.775 219 HG11 VAL 41 HG11 VAL 41 -7.798 5.114 -1.782 220 HG12 VAL 41 HG12 VAL 41 -9.115 4.525 -2.794 221 HG13 VAL 41 HG13 VAL 41 -9.191 4.320 -1.044 222 HG21 VAL 41 HG21 VAL 41 -9.380 6.816 -3.788 223 HG22 VAL 41 HG22 VAL 41 -8.063 7.410 -2.779 224 HG23 VAL 41 HG23 VAL 41 -9.639 8.201 -2.731 225 H ARG 42 HN ARG 42 -11.946 6.757 0.591 226 HA ARG 42 HA ARG 42 -11.663 4.176 1.769 227 HB2 ARG 42 HB2 ARG 42 -13.128 6.631 2.730 228 HB3 ARG 42 HB1 ARG 42 -12.907 5.173 3.689 229 HG2 ARG 42 HG2 ARG 42 -10.475 5.455 3.525 230 HG3 ARG 42 HG1 ARG 42 -10.727 6.948 2.619 231 HD2 ARG 42 HD2 ARG 42 -10.291 7.482 4.922 232 HD3 ARG 42 HD1 ARG 42 -11.972 7.861 4.544 233 HE ARG 42 HE ARG 42 -11.903 5.269 5.573 234 HH11 ARG 42 HH11 ARG 42 -11.274 8.541 6.637 235 HH12 ARG 42 HH12 ARG 42 -11.658 8.214 8.296 236 HH21 ARG 42 HH21 ARG 42 -12.407 4.828 7.755 237 HH22 ARG 42 HH22 ARG 42 -12.302 6.095 8.936 238 H ARG 43 HN ARG 43 -14.321 5.806 0.175 239 HA ARG 43 HA ARG 43 -16.313 4.068 1.328 240 HB2 ARG 43 HB2 ARG 43 -16.569 6.118 -0.872 241 HB3 ARG 43 HB1 ARG 43 -17.907 5.303 -0.073 242 HG2 ARG 43 HG2 ARG 43 -17.112 6.289 2.081 243 HG3 ARG 43 HG1 ARG 43 -15.955 7.238 1.148 244 HD2 ARG 43 HD2 ARG 43 -17.886 8.592 1.577 245 HD3 ARG 43 HD1 ARG 43 -17.857 8.183 -0.137 246 HE ARG 43 HE ARG 43 -19.423 6.362 1.431 247 HH11 ARG 43 HH11 ARG 43 -19.463 9.424 -0.266 248 HH12 ARG 43 HH12 ARG 43 -21.180 9.416 -0.496 249 HH21 ARG 43 HH21 ARG 43 -21.686 6.356 1.138 250 HH22 ARG 43 HH22 ARG 43 -22.448 7.676 0.309 251 H THR 44 HN THR 44 -14.197 3.787 -1.272 252 HA THR 44 HA THR 44 -15.863 2.172 -2.982 253 HB THR 44 HB THR 44 -13.203 1.592 -3.570 254 HG1 THR 44 HG1 THR 44 -12.669 4.114 -3.592 255 HG21 THR 44 HG21 THR 44 -15.030 2.219 -5.159 256 HG22 THR 44 HG22 THR 44 -13.507 3.040 -5.487 257 HG23 THR 44 HG23 THR 44 -14.818 3.900 -4.677 258 HA PRO 45 HA PRO 45 -14.824 -1.875 -1.199 259 HB2 PRO 45 HB2 PRO 45 -13.968 -3.338 -3.327 260 HB3 PRO 45 HB1 PRO 45 -15.672 -2.970 -3.041 261 HG2 PRO 45 HG2 PRO 45 -13.721 -1.604 -4.860 262 HG3 PRO 45 HG1 PRO 45 -15.396 -2.097 -5.187 263 HD2 PRO 45 HD2 PRO 45 -14.767 0.441 -4.579 264 HD3 PRO 45 HD1 PRO 45 -16.281 -0.295 -4.020 265 H THR 46 HN THR 46 -13.015 -3.160 -0.576 266 HA THR 46 HA THR 46 -10.595 -1.694 -0.367 267 HB THR 46 HB THR 46 -10.670 -4.628 0.170 268 HG1 THR 46 HG1 THR 46 -12.198 -4.430 1.657 269 HG21 THR 46 HG21 THR 46 -9.420 -3.972 2.157 270 HG22 THR 46 HG22 THR 46 -9.652 -2.271 1.761 271 HG23 THR 46 HG23 THR 46 -8.671 -3.296 0.711 272 H SER 47 HN SER 47 -11.703 -4.282 -2.438 273 HA SER 47 HA SER 47 -9.282 -5.284 -3.370 274 HB2 SER 47 HB2 SER 47 -10.675 -5.952 -5.396 275 HB3 SER 47 HB1 SER 47 -11.290 -6.485 -3.830 276 HG SER 47 HG SER 47 -12.633 -5.181 -5.596 277 H SER 48 HN SER 48 -11.223 -2.587 -4.561 278 HA SER 48 HA SER 48 -9.755 -2.033 -6.870 279 HB2 SER 48 HB2 SER 48 -11.384 -0.227 -5.077 280 HB3 SER 48 HB1 SER 48 -10.826 0.191 -6.685 281 HG SER 48 HG SER 48 -11.978 -1.907 -7.260 282 H LYS 49 HN LYS 49 -9.472 -0.855 -3.563 283 HA LYS 49 HA LYS 49 -7.532 1.132 -4.003 284 HB2 LYS 49 HB2 LYS 49 -7.836 -0.509 -1.493 285 HB3 LYS 49 HB1 LYS 49 -7.229 1.138 -1.627 286 HG2 LYS 49 HG2 LYS 49 -9.466 1.859 -2.350 287 HG3 LYS 49 HG1 LYS 49 -10.048 0.211 -2.103 288 HD2 LYS 49 HD2 LYS 49 -9.015 0.561 0.292 289 HD3 LYS 49 HD1 LYS 49 -9.240 2.267 -0.103 290 HE2 LYS 49 HE2 LYS 49 -11.260 0.134 0.325 291 HE3 LYS 49 HE1 LYS 49 -11.268 1.810 0.850 292 HZ1 LYS 49 HZ1 LYS 49 -12.912 1.433 -0.828 293 HZ2 LYS 49 HZ2 LYS 49 -11.735 0.874 -1.910 294 HZ3 LYS 49 HZ3 LYS 49 -11.722 2.495 -1.402 295 H VAL 50 HN VAL 50 -7.276 -2.254 -3.027 296 HA VAL 50 HA VAL 50 -4.464 -2.253 -2.679 297 HB VAL 50 HB VAL 50 -6.295 -4.578 -3.307 298 HG11 VAL 50 HG11 VAL 50 -3.958 -5.118 -3.758 299 HG12 VAL 50 HG12 VAL 50 -4.545 -5.979 -2.336 300 HG13 VAL 50 HG13 VAL 50 -3.512 -4.564 -2.145 301 HG21 VAL 50 HG21 VAL 50 -5.308 -3.496 -0.669 302 HG22 VAL 50 HG22 VAL 50 -6.253 -4.969 -0.885 303 HG23 VAL 50 HG23 VAL 50 -6.958 -3.403 -1.284 304 H HIS 51 HN HIS 51 -6.522 -3.125 -5.425 305 HA HIS 51 HA HIS 51 -4.439 -4.002 -7.124 306 HB2 HIS 51 HB2 HIS 51 -7.166 -2.879 -7.792 307 HB3 HIS 51 HB1 HIS 51 -6.083 -3.605 -8.972 308 HD1 HIS 51 HD1 HIS 51 -8.434 -5.101 -9.124 309 HD2 HIS 51 HD2 HIS 51 -5.901 -5.745 -5.894 310 HE1 HIS 51 HE1 HIS 51 -9.057 -7.356 -8.214 311 HE2 HIS 51 HE2 HIS 51 -7.359 -7.817 -6.412 312 H PHE 52 HN PHE 52 -5.889 -0.861 -6.523 313 HA PHE 52 HA PHE 52 -4.690 0.560 -8.640 314 HB2 PHE 52 HB2 PHE 52 -6.615 1.371 -7.280 315 HB3 PHE 52 HB1 PHE 52 -5.527 1.594 -5.919 316 HD1 PHE 52 HD1 PHE 52 -3.818 3.369 -5.978 317 HD2 PHE 52 HD2 PHE 52 -6.709 2.930 -9.068 318 HE1 PHE 52 HE1 PHE 52 -3.340 5.656 -6.750 319 HE2 PHE 52 HE2 PHE 52 -6.233 5.211 -9.847 320 HZ PHE 52 HZ PHE 52 -4.546 6.578 -8.687 321 H LEU 53 HN LEU 53 -3.758 0.226 -5.226 322 HA LEU 53 HA LEU 53 -1.400 1.742 -5.384 323 HB2 LEU 53 HB2 LEU 53 -2.088 -0.521 -3.509 324 HB3 LEU 53 HB1 LEU 53 -0.784 0.627 -3.274 325 HG LEU 53 HG LEU 53 -3.721 1.326 -3.355 326 HD11 LEU 53 HD11 LEU 53 -3.428 1.785 -0.957 327 HD12 LEU 53 HD12 LEU 53 -1.797 1.120 -1.047 328 HD13 LEU 53 HD13 LEU 53 -3.190 0.084 -1.357 329 HD21 LEU 53 HD21 LEU 53 -2.941 3.525 -2.540 330 HD22 LEU 53 HD22 LEU 53 -2.379 3.155 -4.170 331 HD23 LEU 53 HD23 LEU 53 -1.277 3.003 -2.800 332 H LYS 54 HN LYS 54 -2.017 -1.681 -5.924 333 HA LYS 54 HA LYS 54 0.627 -2.560 -6.192 334 HB2 LYS 54 HB2 LYS 54 -1.300 -4.073 -6.052 335 HB3 LYS 54 HB1 LYS 54 -1.865 -3.516 -7.618 336 HG2 LYS 54 HG2 LYS 54 0.864 -4.655 -7.450 337 HG3 LYS 54 HG1 LYS 54 -0.501 -5.760 -7.323 338 HD2 LYS 54 HD2 LYS 54 -0.071 -3.801 -9.579 339 HD3 LYS 54 HD1 LYS 54 0.371 -5.506 -9.636 340 HE2 LYS 54 HE2 LYS 54 -2.010 -6.079 -9.219 341 HE3 LYS 54 HE1 LYS 54 -2.404 -4.364 -9.325 342 HZ1 LYS 54 HZ1 LYS 54 -1.239 -6.038 -11.479 343 HZ2 LYS 54 HZ2 LYS 54 -1.498 -4.375 -11.594 344 HZ3 LYS 54 HZ3 LYS 54 -2.812 -5.422 -11.428 345 H SER 55 HN SER 55 -1.609 -1.187 -8.538 346 HA SER 55 HA SER 55 0.133 -1.366 -10.772 347 HB2 SER 55 HB2 SER 55 -2.333 -1.203 -10.964 348 HB3 SER 55 HB1 SER 55 -2.254 0.450 -10.356 349 HG SER 55 HG SER 55 -0.573 0.426 -12.320 350 H LYS 56 HN LYS 56 0.054 0.739 -8.102 351 HA LYS 56 HA LYS 56 1.355 2.941 -9.453 352 HB2 LYS 56 HB2 LYS 56 0.521 2.401 -6.619 353 HB3 LYS 56 HB1 LYS 56 1.562 3.754 -7.014 354 HG2 LYS 56 HG2 LYS 56 -1.145 3.308 -8.239 355 HG3 LYS 56 HG1 LYS 56 -0.847 4.329 -6.830 356 HD2 LYS 56 HD2 LYS 56 0.707 5.687 -8.190 357 HD3 LYS 56 HD1 LYS 56 0.310 4.697 -9.595 358 HE2 LYS 56 HE2 LYS 56 -1.978 5.413 -9.525 359 HE3 LYS 56 HE1 LYS 56 -1.715 6.258 -8.002 360 HZ1 LYS 56 HZ1 LYS 56 -1.742 7.781 -9.872 361 HZ2 LYS 56 HZ2 LYS 56 -0.463 6.955 -10.600 362 HZ3 LYS 56 HZ3 LYS 56 -0.217 7.769 -9.140 363 H GLY 57 HN GLY 57 2.357 -0.020 -8.525 364 HA2 GLY 57 HA2 GLY 57 4.621 -0.678 -8.813 365 HA3 GLY 57 HA1 GLY 57 5.123 0.932 -8.324 366 H LEU 58 HN LEU 58 2.691 -0.257 -6.320 367 HA LEU 58 HA LEU 58 4.636 -0.709 -4.214 368 HB2 LEU 58 HB2 LEU 58 1.687 -0.282 -4.276 369 HB3 LEU 58 HB1 LEU 58 2.392 -1.098 -2.896 370 HG LEU 58 HG LEU 58 3.955 0.950 -2.752 371 HD11 LEU 58 HD11 LEU 58 2.941 3.032 -3.573 372 HD12 LEU 58 HD12 LEU 58 1.744 2.078 -4.450 373 HD13 LEU 58 HD13 LEU 58 3.452 1.958 -4.876 374 HD21 LEU 58 HD21 LEU 58 2.331 2.111 -1.372 375 HD22 LEU 58 HD22 LEU 58 2.261 0.364 -1.127 376 HD23 LEU 58 HD23 LEU 58 1.030 1.168 -2.104 377 H SER 59 HN SER 59 4.817 -2.538 -3.026 378 HA SER 59 HA SER 59 3.914 -5.001 -4.289 379 HB2 SER 59 HB2 SER 59 5.858 -4.498 -2.030 380 HB3 SER 59 HB1 SER 59 5.559 -6.064 -2.791 381 HG SER 59 HG SER 59 6.107 -4.618 -4.799 382 H ALA 60 HN ALA 60 3.408 -6.789 -2.562 383 HA ALA 60 HA ALA 60 0.964 -6.095 -1.389 384 HB1 ALA 60 HB1 ALA 60 2.698 -8.490 -0.789 385 HB2 ALA 60 HB2 ALA 60 1.525 -8.370 -2.101 386 HB3 ALA 60 HB3 ALA 60 0.979 -8.330 -0.424 387 H GLU 61 HN GLU 61 4.187 -6.429 0.009 388 HA GLU 61 HA GLU 61 3.388 -6.113 2.708 389 HB2 GLU 61 HB2 GLU 61 6.051 -5.612 1.376 390 HB3 GLU 61 HB1 GLU 61 5.795 -5.609 3.116 391 HG2 GLU 61 HG2 GLU 61 5.092 -7.938 3.026 392 HG3 GLU 61 HG1 GLU 61 5.325 -7.944 1.279 393 H GLU 62 HN GLU 62 4.306 -3.835 0.199 394 HA GLU 62 HA GLU 62 4.504 -1.521 1.804 395 HB2 GLU 62 HB2 GLU 62 3.542 -1.615 -1.059 396 HB3 GLU 62 HB1 GLU 62 4.320 -0.271 -0.240 397 HG2 GLU 62 HG2 GLU 62 5.643 -2.898 -0.854 398 HG3 GLU 62 HG1 GLU 62 5.781 -1.446 -1.840 399 H ILE 63 HN ILE 63 1.863 -2.967 -0.021 400 HA ILE 63 HA ILE 63 -0.105 -1.043 0.581 401 HB ILE 63 HB ILE 63 -0.480 -3.961 -0.116 402 HG12 ILE 63 HG12 ILE 63 -0.473 -1.567 -1.963 403 HG13 ILE 63 HG11 ILE 63 0.924 -2.608 -1.717 404 HG21 ILE 63 HG21 ILE 63 -2.509 -2.987 0.762 405 HG22 ILE 63 HG22 ILE 63 -2.666 -3.216 -0.980 406 HG23 ILE 63 HG23 ILE 63 -2.351 -1.609 -0.329 407 HD11 ILE 63 HD11 ILE 63 -0.272 -3.186 -3.748 408 HD12 ILE 63 HD12 ILE 63 -1.742 -3.469 -2.816 409 HD13 ILE 63 HD13 ILE 63 -0.333 -4.506 -2.580 410 H CYS 64 HN CYS 64 0.742 -4.136 2.089 411 HA CYS 64 HA CYS 64 -1.268 -4.273 4.011 412 HB2 CYS 64 HB2 CYS 64 0.254 -6.132 3.522 413 HB3 CYS 64 HB1 CYS 64 1.602 -5.225 4.195 414 HG CYS 64 HG CYS 64 -1.067 -5.882 6.195 415 H GLU 65 HN GLU 65 1.888 -2.664 4.140 416 HA GLU 65 HA GLU 65 1.690 -1.847 6.835 417 HB2 GLU 65 HB2 GLU 65 3.839 -1.949 5.794 418 HB3 GLU 65 HB1 GLU 65 3.337 -0.856 4.512 419 HG2 GLU 65 HG2 GLU 65 3.188 0.960 6.058 420 HG3 GLU 65 HG1 GLU 65 3.551 -0.105 7.412 421 H ALA 66 HN ALA 66 1.077 -0.185 3.766 422 HA ALA 66 HA ALA 66 0.402 2.315 4.779 423 HB1 ALA 66 HB1 ALA 66 -0.688 0.970 2.310 424 HB2 ALA 66 HB2 ALA 66 0.806 1.901 2.407 425 HB3 ALA 66 HB3 ALA 66 -0.748 2.700 2.657 426 H PHE 67 HN PHE 67 -1.716 -0.448 4.044 427 HA PHE 67 HA PHE 67 -4.138 0.727 4.733 428 HB2 PHE 67 HB2 PHE 67 -3.131 -2.031 4.452 429 HB3 PHE 67 HB1 PHE 67 -4.559 -1.848 5.466 430 HD1 PHE 67 HD1 PHE 67 -3.209 -1.426 2.079 431 HD2 PHE 67 HD2 PHE 67 -6.662 -1.235 4.547 432 HE1 PHE 67 HE1 PHE 67 -4.632 -1.310 0.075 433 HE2 PHE 67 HE2 PHE 67 -8.093 -1.120 2.553 434 HZ PHE 67 HZ PHE 67 -7.078 -1.156 0.311 435 H THR 68 HN THR 68 -1.829 -1.018 6.793 436 HA THR 68 HA THR 68 -3.454 -0.947 9.099 437 HB THR 68 HB THR 68 -0.442 -1.067 9.065 438 HG1 THR 68 HG1 THR 68 -1.161 -2.713 7.715 439 HG21 THR 68 HG21 THR 68 -0.748 -2.355 11.133 440 HG22 THR 68 HG22 THR 68 -2.495 -2.140 11.002 441 HG23 THR 68 HG23 THR 68 -1.452 -0.743 11.272 442 H LYS 69 HN LYS 69 -1.154 1.307 7.717 443 HA LYS 69 HA LYS 69 -0.977 3.014 9.982 444 HB2 LYS 69 HB2 LYS 69 -0.448 3.570 7.065 445 HB3 LYS 69 HB1 LYS 69 -0.041 4.663 8.382 446 HG2 LYS 69 HG2 LYS 69 1.094 2.229 9.099 447 HG3 LYS 69 HG1 LYS 69 1.397 2.382 7.369 448 HD2 LYS 69 HD2 LYS 69 2.051 4.453 9.459 449 HD3 LYS 69 HD1 LYS 69 3.210 3.364 8.695 450 HE2 LYS 69 HE2 LYS 69 2.714 4.358 6.527 451 HE3 LYS 69 HE1 LYS 69 1.533 5.427 7.280 452 HZ1 LYS 69 HZ1 LYS 69 4.450 5.402 7.825 453 HZ2 LYS 69 HZ2 LYS 69 3.324 6.405 8.586 454 HZ3 LYS 69 HZ3 LYS 69 3.615 6.569 6.931 455 H VAL 70 HN VAL 70 -3.237 2.811 7.303 456 HA VAL 70 HA VAL 70 -4.316 5.446 7.830 457 HB VAL 70 HB VAL 70 -5.849 5.069 6.027 458 HG11 VAL 70 HG11 VAL 70 -3.046 4.137 5.537 459 HG12 VAL 70 HG12 VAL 70 -3.761 5.717 5.215 460 HG13 VAL 70 HG13 VAL 70 -4.202 4.329 4.228 461 HG21 VAL 70 HG21 VAL 70 -6.507 2.771 6.504 462 HG22 VAL 70 HG22 VAL 70 -4.913 2.200 6.008 463 HG23 VAL 70 HG23 VAL 70 -5.993 2.938 4.824 464 H GLY 71 HN GLY 71 -4.652 2.533 9.328 465 HA2 GLY 71 HA2 GLY 71 -6.051 2.346 11.255 466 HA3 GLY 71 HA1 GLY 71 -7.218 3.396 10.468 467 H GLN 72 HN GLN 72 -5.856 0.956 8.503 468 HA GLN 72 HA GLN 72 -8.178 -0.793 8.972 469 HB2 GLN 72 HB2 GLN 72 -8.433 0.520 6.875 470 HB3 GLN 72 HB1 GLN 72 -6.906 -0.135 6.303 471 HG2 GLN 72 HG2 GLN 72 -8.529 -1.414 5.236 472 HG3 GLN 72 HG1 GLN 72 -7.982 -2.428 6.569 473 HE21 GLN 72 HE21 GLN 72 -10.558 -0.535 5.277 474 HE22 GLN 72 HE22 GLN 72 -11.788 -1.091 6.355 475 HA PRO 73 HA PRO 73 -4.316 -3.160 9.502 476 HB2 PRO 73 HB2 PRO 73 -5.303 -4.933 11.305 477 HB3 PRO 73 HB1 PRO 73 -4.682 -3.341 11.747 478 HG2 PRO 73 HG2 PRO 73 -7.494 -4.269 11.469 479 HG3 PRO 73 HG1 PRO 73 -6.804 -3.111 12.615 480 HD2 PRO 73 HD2 PRO 73 -8.232 -2.415 10.366 481 HD3 PRO 73 HD1 PRO 73 -7.056 -1.361 11.173 482 H LYS 74 HN LYS 74 -4.233 -4.100 7.546 483 HA LYS 74 HA LYS 74 -5.784 -6.564 7.145 484 HB2 LYS 74 HB2 LYS 74 -4.466 -4.687 5.185 485 HB3 LYS 74 HB1 LYS 74 -4.958 -6.312 4.733 486 HG2 LYS 74 HG2 LYS 74 -6.802 -4.185 5.799 487 HG3 LYS 74 HG1 LYS 74 -6.600 -4.600 4.096 488 HD2 LYS 74 HD2 LYS 74 -7.284 -6.935 4.663 489 HD3 LYS 74 HD1 LYS 74 -7.649 -6.373 6.295 490 HE2 LYS 74 HE2 LYS 74 -9.266 -4.780 5.371 491 HE3 LYS 74 HE1 LYS 74 -8.915 -5.375 3.750 492 HZ1 LYS 74 HZ1 LYS 74 -9.668 -7.590 4.482 493 HZ2 LYS 74 HZ2 LYS 74 -10.893 -6.423 4.564 494 HZ3 LYS 74 HZ3 LYS 74 -10.115 -6.929 5.979 495 H THR 75 HN THR 75 -4.710 -8.471 6.850 496 HA THR 75 HA THR 75 -1.919 -8.523 7.568 497 HB THR 75 HB THR 75 -2.156 -10.994 7.342 498 HG1 THR 75 HG1 THR 75 -4.525 -11.608 7.175 499 HG21 THR 75 HG21 THR 75 -3.688 -11.276 9.247 500 HG22 THR 75 HG22 THR 75 -4.261 -9.625 9.018 501 HG23 THR 75 HG23 THR 75 -2.588 -9.919 9.483 502 H LEU 76 HN LEU 76 -0.392 -9.847 6.280 503 HA LEU 76 HA LEU 76 -0.158 -8.886 3.649 504 HB2 LEU 76 HB2 LEU 76 1.756 -9.574 5.032 505 HB3 LEU 76 HB1 LEU 76 1.205 -11.236 4.970 506 HG LEU 76 HG LEU 76 1.582 -11.262 2.536 507 HD11 LEU 76 HD11 LEU 76 2.821 -9.428 1.488 508 HD12 LEU 76 HD12 LEU 76 2.692 -8.495 2.978 509 HD13 LEU 76 HD13 LEU 76 1.240 -8.905 2.066 510 HD21 LEU 76 HD21 LEU 76 3.339 -12.041 4.016 511 HD22 LEU 76 HD22 LEU 76 3.954 -10.398 4.183 512 HD23 LEU 76 HD23 LEU 76 4.037 -11.215 2.624 513 H ASN 77 HN ASN 77 -1.492 -11.800 5.034 514 HA ASN 77 HA ASN 77 -1.794 -13.301 2.673 515 HB2 ASN 77 HB2 ASN 77 -2.067 -14.165 5.028 516 HB3 ASN 77 HB1 ASN 77 -3.634 -13.368 5.071 517 HD21 ASN 77 HD21 ASN 77 -5.341 -14.224 3.914 518 HD22 ASN 77 HD22 ASN 77 -5.278 -15.788 3.178 519 H GLU 78 HN GLU 78 -3.899 -10.972 4.300 520 HA GLU 78 HA GLU 78 -6.110 -11.135 2.604 521 HB2 GLU 78 HB2 GLU 78 -5.033 -9.142 4.498 522 HB3 GLU 78 HB1 GLU 78 -6.109 -8.503 3.263 523 HG2 GLU 78 HG2 GLU 78 -6.815 -10.832 5.018 524 HG3 GLU 78 HG1 GLU 78 -7.191 -9.159 5.424 525 H ILE 79 HN ILE 79 -3.240 -9.054 2.395 526 HA ILE 79 HA ILE 79 -4.049 -7.677 0.081 527 HB ILE 79 HB ILE 79 -1.203 -8.230 0.933 528 HG12 ILE 79 HG12 ILE 79 -2.435 -7.267 2.802 529 HG13 ILE 79 HG11 ILE 79 -1.356 -6.057 2.120 530 HG21 ILE 79 HG21 ILE 79 -2.408 -6.031 -0.744 531 HG22 ILE 79 HG22 ILE 79 -1.383 -7.346 -1.320 532 HG23 ILE 79 HG23 ILE 79 -0.722 -6.124 -0.235 533 HD11 ILE 79 HD11 ILE 79 -3.257 -5.068 0.921 534 HD12 ILE 79 HD12 ILE 79 -3.481 -5.066 2.669 535 HD13 ILE 79 HD13 ILE 79 -4.325 -6.253 1.674 536 H LYS 80 HN LYS 80 -2.101 -10.611 0.509 537 HA LYS 80 HA LYS 80 -1.545 -11.089 -2.209 538 HB2 LYS 80 HB2 LYS 80 -1.872 -13.006 0.104 539 HB3 LYS 80 HB1 LYS 80 -1.318 -13.494 -1.492 540 HG2 LYS 80 HG2 LYS 80 0.576 -11.942 -1.269 541 HG3 LYS 80 HG1 LYS 80 0.046 -11.565 0.369 542 HD2 LYS 80 HD2 LYS 80 0.347 -13.871 1.039 543 HD3 LYS 80 HD1 LYS 80 0.767 -14.326 -0.614 544 HE2 LYS 80 HE2 LYS 80 2.748 -12.908 -0.510 545 HE3 LYS 80 HE1 LYS 80 2.321 -12.414 1.126 546 HZ1 LYS 80 HZ1 LYS 80 4.001 -14.151 1.123 547 HZ2 LYS 80 HZ2 LYS 80 2.968 -15.186 0.279 548 HZ3 LYS 80 HZ3 LYS 80 2.580 -14.700 1.850 549 H ARG 81 HN ARG 81 -4.205 -12.099 -0.148 550 HA ARG 81 HA ARG 81 -5.611 -13.677 -1.987 551 HB2 ARG 81 HB2 ARG 81 -6.112 -13.691 0.393 552 HB3 ARG 81 HB1 ARG 81 -6.619 -12.010 0.325 553 HG2 ARG 81 HG2 ARG 81 -8.551 -13.432 0.419 554 HG3 ARG 81 HG1 ARG 81 -8.471 -12.658 -1.164 555 HD2 ARG 81 HD2 ARG 81 -7.558 -14.674 -2.141 556 HD3 ARG 81 HD1 ARG 81 -7.515 -15.448 -0.559 557 HE ARG 81 HE ARG 81 -10.137 -14.582 -1.146 558 HH11 ARG 81 HH11 ARG 81 -7.823 -17.075 -1.991 559 HH12 ARG 81 HH12 ARG 81 -9.042 -18.215 -2.470 560 HH21 ARG 81 HH21 ARG 81 -11.730 -16.084 -1.727 561 HH22 ARG 81 HH22 ARG 81 -11.266 -17.653 -2.305 562 H ILE 82 HN ILE 82 -5.869 -10.224 -1.246 563 HA ILE 82 HA ILE 82 -8.012 -9.720 -3.025 564 HB ILE 82 HB ILE 82 -5.952 -7.807 -1.915 565 HG12 ILE 82 HG12 ILE 82 -8.765 -8.393 -0.965 566 HG13 ILE 82 HG11 ILE 82 -7.318 -9.081 -0.239 567 HG21 ILE 82 HG21 ILE 82 -8.640 -7.266 -3.172 568 HG22 ILE 82 HG22 ILE 82 -7.067 -6.878 -3.871 569 HG23 ILE 82 HG23 ILE 82 -7.606 -6.061 -2.403 570 HD11 ILE 82 HD11 ILE 82 -8.118 -7.219 1.065 571 HD12 ILE 82 HD12 ILE 82 -8.046 -6.164 -0.346 572 HD13 ILE 82 HD13 ILE 82 -6.559 -6.822 0.339 573 H LEU 83 HN LEU 83 -4.507 -9.664 -3.400 574 HA LEU 83 HA LEU 83 -4.603 -8.434 -5.995 575 HB2 LEU 83 HB2 LEU 83 -2.398 -9.764 -4.440 576 HB3 LEU 83 HB1 LEU 83 -2.164 -9.150 -6.066 577 HG LEU 83 HG LEU 83 -2.995 -7.489 -3.686 578 HD11 LEU 83 HD11 LEU 83 -0.354 -7.671 -5.127 579 HD12 LEU 83 HD12 LEU 83 -0.694 -8.261 -3.499 580 HD13 LEU 83 HD13 LEU 83 -0.755 -6.532 -3.840 581 HD21 LEU 83 HD21 LEU 83 -3.892 -6.577 -5.728 582 HD22 LEU 83 HD22 LEU 83 -2.332 -6.744 -6.531 583 HD23 LEU 83 HD23 LEU 83 -2.525 -5.592 -5.209 584 H SER 84 HN SER 84 -5.085 -11.603 -4.876 585 HA SER 84 HA SER 84 -4.457 -12.736 -7.490 586 HB2 SER 84 HB2 SER 84 -5.150 -14.911 -6.382 587 HB3 SER 84 HB1 SER 84 -3.731 -14.126 -5.692 588 HG SER 84 HG SER 84 -6.198 -13.443 -4.596 Start of MODEL 18 1 H1 LYS 15 HT1 LYS 15 22.536 -6.492 -0.447 2 H2 LYS 15 HT2 LYS 15 22.797 -4.936 -1.056 3 H3 LYS 15 HT3 LYS 15 23.240 -6.284 -1.972 4 HA LYS 15 HA LYS 15 20.938 -6.948 -2.170 5 HB2 LYS 15 HB2 LYS 15 20.335 -5.758 0.021 6 HB3 LYS 15 HB1 LYS 15 20.277 -4.282 -0.927 7 HG2 LYS 15 HG2 LYS 15 18.055 -5.075 -0.715 8 HG3 LYS 15 HG1 LYS 15 18.560 -5.378 -2.378 9 HD2 LYS 15 HD2 LYS 15 19.071 -7.714 -1.772 10 HD3 LYS 15 HD1 LYS 15 18.508 -7.396 -0.133 11 HE2 LYS 15 HE2 LYS 15 16.853 -7.203 -2.645 12 HE3 LYS 15 HE1 LYS 15 16.794 -8.511 -1.467 13 HZ1 LYS 15 HZ1 LYS 15 16.087 -5.674 -0.948 14 HZ2 LYS 15 HZ2 LYS 15 16.056 -6.919 0.197 15 HZ3 LYS 15 HZ3 LYS 15 15.000 -6.957 -1.119 16 HA PRO 16 HA PRO 16 21.574 -4.466 -5.819 17 HB2 PRO 16 HB2 PRO 16 19.744 -5.652 -7.412 18 HB3 PRO 16 HB1 PRO 16 21.279 -6.422 -6.998 19 HG2 PRO 16 HG2 PRO 16 18.552 -6.910 -5.891 20 HG3 PRO 16 HG1 PRO 16 19.847 -8.068 -6.239 21 HD2 PRO 16 HD2 PRO 16 19.252 -7.089 -3.731 22 HD3 PRO 16 HD1 PRO 16 20.825 -7.750 -4.201 23 H GLU 17 HN GLU 17 20.812 -2.484 -5.000 24 HA GLU 17 HA GLU 17 17.924 -2.054 -5.050 25 HB2 GLU 17 HB2 GLU 17 19.156 -1.380 -3.029 26 HB3 GLU 17 HB1 GLU 17 20.119 -0.269 -3.994 27 HG2 GLU 17 HG2 GLU 17 18.066 0.947 -4.590 28 HG3 GLU 17 HG1 GLU 17 17.152 -0.131 -3.539 29 H VAL 18 HN VAL 18 17.546 -1.890 -7.243 30 HA VAL 18 HA VAL 18 18.566 0.578 -8.481 31 HB VAL 18 HB VAL 18 17.175 -1.736 -9.846 32 HG11 VAL 18 HG11 VAL 18 17.878 -0.650 -11.917 33 HG12 VAL 18 HG12 VAL 18 18.586 0.671 -10.990 34 HG13 VAL 18 HG13 VAL 18 16.844 0.409 -10.960 35 HG21 VAL 18 HG21 VAL 18 20.104 -1.020 -9.783 36 HG22 VAL 18 HG22 VAL 18 19.380 -2.257 -10.810 37 HG23 VAL 18 HG23 VAL 18 19.355 -2.441 -9.057 38 H GLU 19 HN GLU 19 15.685 -1.441 -8.296 39 HA GLU 19 HA GLU 19 13.994 0.961 -8.391 40 HB2 GLU 19 HB2 GLU 19 12.205 -0.482 -9.168 41 HB3 GLU 19 HB1 GLU 19 13.616 -0.666 -10.196 42 HG2 GLU 19 HG2 GLU 19 12.791 -2.566 -8.009 43 HG3 GLU 19 HG1 GLU 19 12.502 -2.788 -9.729 44 H HIS 20 HN HIS 20 15.063 -1.622 -6.455 45 HA HIS 20 HA HIS 20 12.807 -1.611 -4.644 46 HB2 HIS 20 HB2 HIS 20 15.419 -3.096 -4.731 47 HB3 HIS 20 HB1 HIS 20 14.391 -3.150 -3.305 48 HD1 HIS 20 HD1 HIS 20 14.505 -4.237 -6.908 49 HD2 HIS 20 HD2 HIS 20 12.150 -4.760 -3.515 50 HE1 HIS 20 HE1 HIS 20 12.925 -6.116 -7.456 51 HE2 HIS 20 HE2 HIS 20 11.406 -6.302 -5.456 52 H THR 21 HN THR 21 14.377 0.855 -5.009 53 HA THR 21 HA THR 21 16.082 1.421 -2.883 54 HB THR 21 HB THR 21 14.121 3.346 -4.137 55 HG1 THR 21 HG1 THR 21 16.723 3.139 -5.113 56 HG21 THR 21 HG21 THR 21 16.847 3.754 -2.907 57 HG22 THR 21 HG22 THR 21 15.306 4.260 -2.217 58 HG23 THR 21 HG23 THR 21 15.892 5.003 -3.705 59 H HIS 22 HN HIS 22 15.768 1.894 -0.741 60 HA HIS 22 HA HIS 22 13.309 1.196 0.479 61 HB2 HIS 22 HB2 HIS 22 15.595 2.777 1.664 62 HB3 HIS 22 HB1 HIS 22 14.275 2.068 2.572 63 HD1 HIS 22 HD1 HIS 22 14.358 -0.465 3.017 64 HD2 HIS 22 HD2 HIS 22 17.555 0.958 0.781 65 HE1 HIS 22 HE1 HIS 22 16.028 -2.340 2.962 66 HE2 HIS 22 HE2 HIS 22 17.876 -1.513 1.466 67 H SER 23 HN SER 23 14.746 4.275 -0.432 68 HA SER 23 HA SER 23 12.843 5.988 0.686 69 HB2 SER 23 HB2 SER 23 14.295 6.342 -1.947 70 HB3 SER 23 HB1 SER 23 13.590 7.620 -0.956 71 HG SER 23 HG SER 23 15.074 6.783 0.738 72 H GLU 24 HN GLU 24 12.774 4.037 -2.232 73 HA GLU 24 HA GLU 24 10.485 5.213 -3.390 74 HB2 GLU 24 HB2 GLU 24 11.826 2.548 -3.725 75 HB3 GLU 24 HB1 GLU 24 10.302 2.896 -4.528 76 HG2 GLU 24 HG2 GLU 24 12.811 4.527 -4.829 77 HG3 GLU 24 HG1 GLU 24 12.273 3.279 -5.953 78 H ARG 25 HN ARG 25 10.850 2.333 -1.279 79 HA ARG 25 HA ARG 25 8.062 1.822 -1.247 80 HB2 ARG 25 HB2 ARG 25 8.431 0.256 0.494 81 HB3 ARG 25 HB1 ARG 25 9.839 0.159 -0.550 82 HG2 ARG 25 HG2 ARG 25 11.227 1.155 1.013 83 HG3 ARG 25 HG1 ARG 25 9.884 1.903 1.874 84 HD2 ARG 25 HD2 ARG 25 10.257 -1.074 1.748 85 HD3 ARG 25 HD1 ARG 25 11.009 -0.082 2.995 86 HE ARG 25 HE ARG 25 8.505 0.673 3.294 87 HH11 ARG 25 HH11 ARG 25 9.733 -2.549 2.719 88 HH12 ARG 25 HH12 ARG 25 8.487 -3.332 3.636 89 HH21 ARG 25 HH21 ARG 25 6.839 -0.364 4.523 90 HH22 ARG 25 HH22 ARG 25 6.855 -2.096 4.657 91 H GLU 26 HN GLU 26 10.192 3.790 0.739 92 HA GLU 26 HA GLU 26 8.388 4.355 2.802 93 HB2 GLU 26 HB2 GLU 26 10.762 4.818 2.988 94 HB3 GLU 26 HB1 GLU 26 10.667 5.989 1.681 95 HG2 GLU 26 HG2 GLU 26 9.302 7.439 3.027 96 HG3 GLU 26 HG1 GLU 26 9.266 6.250 4.328 97 H LYS 27 HN LYS 27 9.043 6.066 -0.245 98 HA LYS 27 HA LYS 27 7.071 8.067 0.251 99 HB2 LYS 27 HB2 LYS 27 7.456 8.780 -2.044 100 HB3 LYS 27 HB1 LYS 27 8.980 8.503 -1.215 101 HG2 LYS 27 HG2 LYS 27 9.002 6.224 -2.306 102 HG3 LYS 27 HG1 LYS 27 7.671 6.802 -3.309 103 HD2 LYS 27 HD2 LYS 27 10.391 8.100 -3.087 104 HD3 LYS 27 HD1 LYS 27 9.869 7.056 -4.407 105 HE2 LYS 27 HE2 LYS 27 8.478 9.618 -3.655 106 HE3 LYS 27 HE1 LYS 27 9.752 9.520 -4.867 107 HZ1 LYS 27 HZ1 LYS 27 8.382 7.971 -6.122 108 HZ2 LYS 27 HZ2 LYS 27 7.572 9.434 -5.881 109 HZ3 LYS 27 HZ3 LYS 27 7.159 8.081 -4.961 110 H ARG 28 HN ARG 28 7.076 4.965 -1.433 111 HA ARG 28 HA ARG 28 4.527 5.259 -2.625 112 HB2 ARG 28 HB2 ARG 28 6.087 2.789 -1.869 113 HB3 ARG 28 HB1 ARG 28 4.548 2.738 -2.715 114 HG2 ARG 28 HG2 ARG 28 5.568 4.135 -4.509 115 HG3 ARG 28 HG1 ARG 28 7.119 3.953 -3.687 116 HD2 ARG 28 HD2 ARG 28 5.408 1.755 -4.840 117 HD3 ARG 28 HD1 ARG 28 6.943 2.335 -5.472 118 HE ARG 28 HE ARG 28 6.660 0.944 -2.871 119 HH11 ARG 28 HH11 ARG 28 8.439 1.577 -5.845 120 HH12 ARG 28 HH12 ARG 28 9.683 0.427 -5.480 121 HH21 ARG 28 HH21 ARG 28 8.269 -0.584 -2.432 122 HH22 ARG 28 HH22 ARG 28 9.591 -0.796 -3.541 123 H VAL 29 HN VAL 29 5.564 3.900 0.485 124 HA VAL 29 HA VAL 29 2.995 3.144 1.374 125 HB VAL 29 HB VAL 29 5.429 3.974 2.972 126 HG11 VAL 29 HG11 VAL 29 3.406 4.356 4.301 127 HG12 VAL 29 HG12 VAL 29 4.329 2.989 4.925 128 HG13 VAL 29 HG13 VAL 29 2.873 2.708 3.970 129 HG21 VAL 29 HG21 VAL 29 5.698 1.927 1.667 130 HG22 VAL 29 HG22 VAL 29 4.230 1.267 2.386 131 HG23 VAL 29 HG23 VAL 29 5.645 1.570 3.394 132 H SER 30 HN SER 30 4.804 6.174 1.650 133 HA SER 30 HA SER 30 2.947 7.629 3.150 134 HB2 SER 30 HB2 SER 30 4.778 8.650 0.962 135 HB3 SER 30 HB1 SER 30 4.017 9.632 2.213 136 HG SER 30 HG SER 30 5.956 7.578 2.570 137 H ASN 31 HN ASN 31 3.261 7.256 -0.368 138 HA ASN 31 HA ASN 31 1.046 8.820 -1.111 139 HB2 ASN 31 HB2 ASN 31 2.633 6.664 -2.438 140 HB3 ASN 31 HB1 ASN 31 1.105 7.146 -3.163 141 HD21 ASN 31 HD21 ASN 31 4.346 8.127 -2.376 142 HD22 ASN 31 HD22 ASN 31 4.363 9.543 -3.371 143 H ALA 32 HN ALA 32 1.326 5.432 -0.222 144 HA ALA 32 HA ALA 32 -1.305 4.699 -1.008 145 HB1 ALA 32 HB1 ALA 32 0.459 3.050 -0.807 146 HB2 ALA 32 HB2 ALA 32 -0.884 2.649 0.263 147 HB3 ALA 32 HB3 ALA 32 0.583 3.369 0.923 148 H VAL 33 HN VAL 33 0.151 5.553 2.108 149 HA VAL 33 HA VAL 33 -2.158 5.168 3.658 150 HB VAL 33 HB VAL 33 0.190 7.025 4.099 151 HG11 VAL 33 HG11 VAL 33 -1.771 7.800 5.360 152 HG12 VAL 33 HG12 VAL 33 -0.511 7.174 6.423 153 HG13 VAL 33 HG13 VAL 33 -1.935 6.196 6.074 154 HG21 VAL 33 HG21 VAL 33 0.788 4.668 4.041 155 HG22 VAL 33 HG22 VAL 33 -0.471 4.302 5.219 156 HG23 VAL 33 HG23 VAL 33 0.913 5.290 5.687 157 H GLU 34 HN GLU 34 -0.923 8.046 1.983 158 HA GLU 34 HA GLU 34 -3.015 9.741 2.885 159 HB2 GLU 34 HB2 GLU 34 -2.124 11.393 1.442 160 HB3 GLU 34 HB1 GLU 34 -0.754 10.475 2.046 161 HG2 GLU 34 HG2 GLU 34 -0.624 9.257 -0.047 162 HG3 GLU 34 HG1 GLU 34 -2.017 10.149 -0.661 163 H PHE 35 HN PHE 35 -2.619 7.645 0.098 164 HA PHE 35 HA PHE 35 -4.888 8.595 -1.342 165 HB2 PHE 35 HB2 PHE 35 -3.056 7.365 -2.427 166 HB3 PHE 35 HB1 PHE 35 -3.448 5.935 -1.486 167 HD1 PHE 35 HD1 PHE 35 -4.796 8.247 -4.049 168 HD2 PHE 35 HD2 PHE 35 -5.008 4.390 -2.267 169 HE1 PHE 35 HE1 PHE 35 -6.322 7.511 -5.834 170 HE2 PHE 35 HE2 PHE 35 -6.535 3.646 -4.045 171 HZ PHE 35 HZ PHE 35 -7.195 5.208 -5.832 172 H LEU 36 HN LEU 36 -4.320 5.908 0.884 173 HA LEU 36 HA LEU 36 -6.904 4.798 0.762 174 HB2 LEU 36 HB2 LEU 36 -4.793 4.729 2.894 175 HB3 LEU 36 HB1 LEU 36 -6.268 3.788 2.981 176 HG LEU 36 HG LEU 36 -4.155 3.550 0.836 177 HD11 LEU 36 HD11 LEU 36 -3.397 2.711 2.994 178 HD12 LEU 36 HD12 LEU 36 -3.662 1.394 1.853 179 HD13 LEU 36 HD13 LEU 36 -4.844 1.712 3.122 180 HD21 LEU 36 HD21 LEU 36 -6.673 1.966 1.326 181 HD22 LEU 36 HD22 LEU 36 -5.418 1.547 0.161 182 HD23 LEU 36 HD23 LEU 36 -6.347 3.031 -0.042 183 H LEU 37 HN LEU 37 -5.612 7.501 2.512 184 HA LEU 37 HA LEU 37 -7.866 7.660 4.314 185 HB2 LEU 37 HB2 LEU 37 -5.318 9.144 3.941 186 HB3 LEU 37 HB1 LEU 37 -6.633 9.963 4.763 187 HG LEU 37 HG LEU 37 -5.502 7.299 5.615 188 HD11 LEU 37 HD11 LEU 37 -5.011 10.058 6.734 189 HD12 LEU 37 HD12 LEU 37 -3.837 9.064 5.873 190 HD13 LEU 37 HD13 LEU 37 -4.451 8.542 7.442 191 HD21 LEU 37 HD21 LEU 37 -7.805 7.603 6.261 192 HD22 LEU 37 HD22 LEU 37 -7.449 9.210 6.891 193 HD23 LEU 37 HD23 LEU 37 -6.771 7.784 7.680 194 H ASP 38 HN ASP 38 -7.717 8.273 1.170 195 HA ASP 38 HA ASP 38 -8.903 10.902 1.154 196 HB2 ASP 38 HB2 ASP 38 -7.460 10.007 -0.722 197 HB3 ASP 38 HB1 ASP 38 -8.782 8.924 -1.132 198 H SER 39 HN SER 39 -11.031 11.403 0.914 199 HA SER 39 HA SER 39 -12.969 9.671 1.913 200 HB2 SER 39 HB2 SER 39 -13.137 12.148 1.914 201 HB3 SER 39 HB1 SER 39 -13.416 12.110 0.175 202 HG SER 39 HG SER 39 -15.283 10.780 0.645 203 H ARG 40 HN ARG 40 -12.045 10.358 -1.434 204 HA ARG 40 HA ARG 40 -14.266 9.018 -2.619 205 HB2 ARG 40 HB2 ARG 40 -11.528 9.701 -3.699 206 HB3 ARG 40 HB1 ARG 40 -12.803 8.980 -4.671 207 HG2 ARG 40 HG2 ARG 40 -12.978 11.639 -3.271 208 HG3 ARG 40 HG1 ARG 40 -12.638 11.403 -4.987 209 HD2 ARG 40 HD2 ARG 40 -14.826 10.234 -5.191 210 HD3 ARG 40 HD1 ARG 40 -15.160 10.657 -3.513 211 HE ARG 40 HE ARG 40 -14.502 12.895 -5.211 212 HH11 ARG 40 HH11 ARG 40 -17.059 10.884 -3.935 213 HH12 ARG 40 HH12 ARG 40 -18.303 12.058 -4.217 214 HH21 ARG 40 HH21 ARG 40 -16.131 14.447 -5.590 215 HH22 ARG 40 HH22 ARG 40 -17.772 14.089 -5.157 216 H VAL 41 HN VAL 41 -11.093 8.049 -1.556 217 HA VAL 41 HA VAL 41 -11.207 5.454 -2.786 218 HB VAL 41 HB VAL 41 -9.266 6.557 -0.750 219 HG11 VAL 41 HG11 VAL 41 -9.040 4.144 -2.547 220 HG12 VAL 41 HG12 VAL 41 -9.276 4.110 -0.799 221 HG13 VAL 41 HG13 VAL 41 -7.782 4.758 -1.476 222 HG21 VAL 41 HG21 VAL 41 -7.805 6.953 -2.664 223 HG22 VAL 41 HG22 VAL 41 -9.315 7.849 -2.828 224 HG23 VAL 41 HG23 VAL 41 -9.061 6.371 -3.754 225 H ARG 42 HN ARG 42 -11.788 6.788 0.422 226 HA ARG 42 HA ARG 42 -11.966 4.288 1.744 227 HB2 ARG 42 HB2 ARG 42 -12.908 5.474 3.595 228 HB3 ARG 42 HB1 ARG 42 -11.666 6.496 2.890 229 HG2 ARG 42 HG2 ARG 42 -13.399 7.789 1.742 230 HG3 ARG 42 HG1 ARG 42 -14.634 6.772 2.481 231 HD2 ARG 42 HD2 ARG 42 -13.947 7.493 4.689 232 HD3 ARG 42 HD1 ARG 42 -12.641 8.452 3.992 233 HE ARG 42 HE ARG 42 -15.091 9.269 2.874 234 HH11 ARG 42 HH11 ARG 42 -13.414 9.336 5.952 235 HH12 ARG 42 HH12 ARG 42 -14.102 10.855 6.432 236 HH21 ARG 42 HH21 ARG 42 -16.009 11.254 3.520 237 HH22 ARG 42 HH22 ARG 42 -15.580 11.942 5.055 238 H ARG 43 HN ARG 43 -14.095 5.988 -0.342 239 HA ARG 43 HA ARG 43 -16.481 4.634 0.579 240 HB2 ARG 43 HB2 ARG 43 -16.473 6.983 -0.314 241 HB3 ARG 43 HB1 ARG 43 -16.110 6.321 -1.901 242 HG2 ARG 43 HG2 ARG 43 -18.215 5.094 -1.881 243 HG3 ARG 43 HG1 ARG 43 -18.576 5.732 -0.276 244 HD2 ARG 43 HD2 ARG 43 -19.766 7.015 -1.938 245 HD3 ARG 43 HD1 ARG 43 -18.515 8.017 -1.205 246 HE ARG 43 HE ARG 43 -17.399 6.888 -3.476 247 HH11 ARG 43 HH11 ARG 43 -20.042 9.041 -2.708 248 HH12 ARG 43 HH12 ARG 43 -19.974 9.881 -4.224 249 HH21 ARG 43 HH21 ARG 43 -17.296 7.986 -5.477 250 HH22 ARG 43 HH22 ARG 43 -18.409 9.275 -5.807 251 H THR 44 HN THR 44 -13.963 4.056 -1.684 252 HA THR 44 HA THR 44 -15.512 2.204 -3.287 253 HB THR 44 HB THR 44 -13.058 1.695 -4.145 254 HG1 THR 44 HG1 THR 44 -12.328 3.226 -2.340 255 HG21 THR 44 HG21 THR 44 -14.520 4.260 -4.760 256 HG22 THR 44 HG22 THR 44 -14.805 2.690 -5.513 257 HG23 THR 44 HG23 THR 44 -13.272 3.525 -5.765 258 HA PRO 45 HA PRO 45 -14.589 -1.551 -1.101 259 HB2 PRO 45 HB2 PRO 45 -13.810 -3.234 -3.117 260 HB3 PRO 45 HB1 PRO 45 -15.494 -2.811 -2.786 261 HG2 PRO 45 HG2 PRO 45 -13.614 -1.655 -4.812 262 HG3 PRO 45 HG1 PRO 45 -15.316 -2.122 -5.004 263 HD2 PRO 45 HD2 PRO 45 -14.616 0.438 -4.673 264 HD3 PRO 45 HD1 PRO 45 -16.090 -0.213 -3.925 265 H THR 46 HN THR 46 -12.895 -2.894 -0.372 266 HA THR 46 HA THR 46 -10.412 -1.621 -0.121 267 HB THR 46 HB THR 46 -10.648 -4.565 0.308 268 HG1 THR 46 HG1 THR 46 -12.251 -4.339 1.693 269 HG21 THR 46 HG21 THR 46 -9.395 -4.050 2.328 270 HG22 THR 46 HG22 THR 46 -9.544 -2.325 2.005 271 HG23 THR 46 HG23 THR 46 -8.595 -3.345 0.923 272 H SER 47 HN SER 47 -11.506 -4.235 -2.219 273 HA SER 47 HA SER 47 -9.031 -5.132 -3.140 274 HB2 SER 47 HB2 SER 47 -11.614 -5.059 -4.711 275 HB3 SER 47 HB1 SER 47 -10.259 -6.166 -4.942 276 HG SER 47 HG SER 47 -11.303 -7.396 -3.600 277 H SER 48 HN SER 48 -11.105 -2.524 -4.339 278 HA SER 48 HA SER 48 -9.635 -1.878 -6.624 279 HB2 SER 48 HB2 SER 48 -11.325 -0.138 -4.820 280 HB3 SER 48 HB1 SER 48 -10.785 0.295 -6.434 281 HG SER 48 HG SER 48 -11.866 -1.928 -6.893 282 H LYS 49 HN LYS 49 -9.485 -0.640 -3.316 283 HA LYS 49 HA LYS 49 -7.496 1.284 -3.619 284 HB2 LYS 49 HB2 LYS 49 -7.797 -0.526 -1.226 285 HB3 LYS 49 HB1 LYS 49 -7.149 1.104 -1.248 286 HG2 LYS 49 HG2 LYS 49 -9.327 2.010 -1.715 287 HG3 LYS 49 HG1 LYS 49 -10.006 0.387 -1.857 288 HD2 LYS 49 HD2 LYS 49 -9.261 0.001 0.527 289 HD3 LYS 49 HD1 LYS 49 -8.915 1.729 0.609 290 HE2 LYS 49 HE2 LYS 49 -11.237 2.233 0.077 291 HE3 LYS 49 HE1 LYS 49 -11.588 0.510 -0.058 292 HZ1 LYS 49 HZ1 LYS 49 -12.260 1.452 2.086 293 HZ2 LYS 49 HZ2 LYS 49 -10.655 1.856 2.417 294 HZ3 LYS 49 HZ3 LYS 49 -11.103 0.236 2.269 295 H VAL 50 HN VAL 50 -7.234 -2.151 -2.807 296 HA VAL 50 HA VAL 50 -4.424 -2.193 -2.486 297 HB VAL 50 HB VAL 50 -6.286 -4.459 -3.225 298 HG11 VAL 50 HG11 VAL 50 -3.974 -4.999 -3.781 299 HG12 VAL 50 HG12 VAL 50 -4.527 -5.942 -2.398 300 HG13 VAL 50 HG13 VAL 50 -3.470 -4.555 -2.152 301 HG21 VAL 50 HG21 VAL 50 -5.205 -3.577 -0.551 302 HG22 VAL 50 HG22 VAL 50 -6.183 -5.017 -0.839 303 HG23 VAL 50 HG23 VAL 50 -6.870 -3.414 -1.107 304 H HIS 51 HN HIS 51 -6.489 -2.930 -5.267 305 HA HIS 51 HA HIS 51 -4.412 -3.817 -6.966 306 HB2 HIS 51 HB2 HIS 51 -7.155 -2.709 -7.582 307 HB3 HIS 51 HB1 HIS 51 -6.070 -3.335 -8.815 308 HD1 HIS 51 HD1 HIS 51 -8.371 -4.898 -9.025 309 HD2 HIS 51 HD2 HIS 51 -5.790 -5.637 -5.854 310 HE1 HIS 51 HE1 HIS 51 -8.909 -7.224 -8.246 311 HE2 HIS 51 HE2 HIS 51 -7.211 -7.720 -6.453 312 H PHE 52 HN PHE 52 -5.807 -0.632 -6.363 313 HA PHE 52 HA PHE 52 -4.506 0.693 -8.498 314 HB2 PHE 52 HB2 PHE 52 -6.458 1.622 -7.254 315 HB3 PHE 52 HB1 PHE 52 -5.408 1.880 -5.865 316 HD1 PHE 52 HD1 PHE 52 -3.667 3.604 -5.925 317 HD2 PHE 52 HD2 PHE 52 -6.361 3.050 -9.172 318 HE1 PHE 52 HE1 PHE 52 -3.042 5.809 -6.814 319 HE2 PHE 52 HE2 PHE 52 -5.737 5.254 -10.069 320 HZ PHE 52 HZ PHE 52 -4.076 6.637 -8.890 321 H LEU 53 HN LEU 53 -3.681 0.280 -5.072 322 HA LEU 53 HA LEU 53 -1.301 1.778 -5.115 323 HB2 LEU 53 HB2 LEU 53 -2.047 -0.568 -3.364 324 HB3 LEU 53 HB1 LEU 53 -0.721 0.537 -3.059 325 HG LEU 53 HG LEU 53 -3.652 1.258 -3.086 326 HD11 LEU 53 HD11 LEU 53 -3.054 -0.020 -1.126 327 HD12 LEU 53 HD12 LEU 53 -3.305 1.669 -0.686 328 HD13 LEU 53 HD13 LEU 53 -1.668 1.030 -0.831 329 HD21 LEU 53 HD21 LEU 53 -2.321 3.109 -3.903 330 HD22 LEU 53 HD22 LEU 53 -1.219 2.952 -2.535 331 HD23 LEU 53 HD23 LEU 53 -2.889 3.452 -2.270 332 H LYS 54 HN LYS 54 -1.942 -1.627 -5.786 333 HA LYS 54 HA LYS 54 0.696 -2.476 -6.177 334 HB2 LYS 54 HB2 LYS 54 -0.997 -4.136 -6.102 335 HB3 LYS 54 HB1 LYS 54 -1.931 -3.350 -7.364 336 HG2 LYS 54 HG2 LYS 54 -0.826 -5.435 -8.099 337 HG3 LYS 54 HG1 LYS 54 -0.359 -4.022 -9.042 338 HD2 LYS 54 HD2 LYS 54 1.595 -5.354 -8.597 339 HD3 LYS 54 HD1 LYS 54 1.705 -3.849 -7.686 340 HE2 LYS 54 HE2 LYS 54 0.895 -5.045 -5.682 341 HE3 LYS 54 HE1 LYS 54 0.890 -6.546 -6.610 342 HZ1 LYS 54 HZ1 LYS 54 3.248 -4.864 -5.957 343 HZ2 LYS 54 HZ2 LYS 54 3.291 -6.197 -6.997 344 HZ3 LYS 54 HZ3 LYS 54 2.905 -6.414 -5.368 345 H SER 55 HN SER 55 -1.594 -0.919 -8.374 346 HA SER 55 HA SER 55 0.018 -1.041 -10.686 347 HB2 SER 55 HB2 SER 55 -2.159 0.954 -10.034 348 HB3 SER 55 HB1 SER 55 -1.600 0.474 -11.632 349 HG SER 55 HG SER 55 -3.158 -0.958 -9.783 350 H LYS 56 HN LYS 56 0.177 0.878 -7.879 351 HA LYS 56 HA LYS 56 1.626 3.063 -9.109 352 HB2 LYS 56 HB2 LYS 56 0.752 2.392 -6.321 353 HB3 LYS 56 HB1 LYS 56 1.954 3.638 -6.590 354 HG2 LYS 56 HG2 LYS 56 -0.826 3.613 -7.739 355 HG3 LYS 56 HG1 LYS 56 -0.288 4.567 -6.355 356 HD2 LYS 56 HD2 LYS 56 1.435 5.593 -7.901 357 HD3 LYS 56 HD1 LYS 56 0.570 4.821 -9.231 358 HE2 LYS 56 HE2 LYS 56 -0.187 7.094 -9.017 359 HE3 LYS 56 HE1 LYS 56 -1.485 6.008 -8.525 360 HZ1 LYS 56 HZ1 LYS 56 -1.240 7.884 -7.012 361 HZ2 LYS 56 HZ2 LYS 56 0.351 7.430 -6.676 362 HZ3 LYS 56 HZ3 LYS 56 -0.930 6.425 -6.222 363 H GLY 57 HN GLY 57 2.363 -0.041 -8.239 364 HA2 GLY 57 HA2 GLY 57 4.530 -0.934 -8.594 365 HA3 GLY 57 HA1 GLY 57 5.219 0.626 -8.171 366 H LEU 58 HN LEU 58 2.794 -0.194 -6.005 367 HA LEU 58 HA LEU 58 4.675 -0.557 -3.889 368 HB2 LEU 58 HB2 LEU 58 1.712 -0.464 -4.089 369 HB3 LEU 58 HB1 LEU 58 2.411 -1.210 -2.670 370 HG LEU 58 HG LEU 58 3.777 1.013 -2.515 371 HD11 LEU 58 HD11 LEU 58 2.530 2.954 -3.327 372 HD12 LEU 58 HD12 LEU 58 1.386 1.880 -4.131 373 HD13 LEU 58 HD13 LEU 58 3.069 1.925 -4.656 374 HD21 LEU 58 HD21 LEU 58 0.844 0.941 -1.842 375 HD22 LEU 58 HD22 LEU 58 2.083 1.928 -1.069 376 HD23 LEU 58 HD23 LEU 58 2.121 0.175 -0.899 377 H SER 59 HN SER 59 5.004 -2.323 -2.583 378 HA SER 59 HA SER 59 4.464 -4.922 -3.779 379 HB2 SER 59 HB2 SER 59 5.937 -4.363 -1.201 380 HB3 SER 59 HB1 SER 59 6.077 -5.779 -2.244 381 HG SER 59 HG SER 59 7.144 -3.194 -2.551 382 H ALA 60 HN ALA 60 3.581 -6.659 -2.348 383 HA ALA 60 HA ALA 60 1.110 -5.937 -1.256 384 HB1 ALA 60 HB1 ALA 60 1.002 -8.231 -0.399 385 HB2 ALA 60 HB2 ALA 60 2.722 -8.437 -0.738 386 HB3 ALA 60 HB3 ALA 60 1.583 -8.191 -2.062 387 H GLU 61 HN GLU 61 4.225 -6.522 0.246 388 HA GLU 61 HA GLU 61 3.503 -6.349 2.936 389 HB2 GLU 61 HB2 GLU 61 6.080 -5.323 1.735 390 HB3 GLU 61 HB1 GLU 61 5.823 -5.848 3.389 391 HG2 GLU 61 HG2 GLU 61 6.945 -7.627 2.428 392 HG3 GLU 61 HG1 GLU 61 5.258 -8.133 2.365 393 H GLU 62 HN GLU 62 4.361 -3.825 0.633 394 HA GLU 62 HA GLU 62 4.345 -1.680 2.484 395 HB2 GLU 62 HB2 GLU 62 4.072 -1.750 -0.519 396 HB3 GLU 62 HB1 GLU 62 4.218 -0.266 0.416 397 HG2 GLU 62 HG2 GLU 62 6.403 -0.793 1.104 398 HG3 GLU 62 HG1 GLU 62 6.253 -2.463 0.561 399 H ILE 63 HN ILE 63 1.958 -2.930 0.196 400 HA ILE 63 HA ILE 63 -0.097 -1.092 0.716 401 HB ILE 63 HB ILE 63 -0.347 -4.011 -0.047 402 HG12 ILE 63 HG12 ILE 63 -0.310 -1.570 -1.832 403 HG13 ILE 63 HG11 ILE 63 1.086 -2.604 -1.553 404 HG21 ILE 63 HG21 ILE 63 -2.455 -3.141 0.741 405 HG22 ILE 63 HG22 ILE 63 -2.514 -3.321 -1.012 406 HG23 ILE 63 HG23 ILE 63 -2.295 -1.725 -0.297 407 HD11 ILE 63 HD11 ILE 63 -0.097 -4.484 -2.536 408 HD12 ILE 63 HD12 ILE 63 -0.018 -3.124 -3.655 409 HD13 ILE 63 HD13 ILE 63 -1.517 -3.469 -2.790 410 H CYS 64 HN CYS 64 0.697 -4.200 2.196 411 HA CYS 64 HA CYS 64 -1.402 -4.375 4.028 412 HB2 CYS 64 HB2 CYS 64 0.106 -6.240 3.518 413 HB3 CYS 64 HB1 CYS 64 1.445 -5.379 4.266 414 HG CYS 64 HG CYS 64 -1.335 -6.277 6.034 415 H GLU 65 HN GLU 65 1.796 -2.861 4.327 416 HA GLU 65 HA GLU 65 1.484 -2.104 7.027 417 HB2 GLU 65 HB2 GLU 65 3.692 -2.247 6.151 418 HB3 GLU 65 HB1 GLU 65 3.313 -1.152 4.828 419 HG2 GLU 65 HG2 GLU 65 3.204 0.702 6.276 420 HG3 GLU 65 HG1 GLU 65 3.257 -0.320 7.711 421 H ALA 66 HN ALA 66 1.057 -0.300 3.973 422 HA ALA 66 HA ALA 66 0.433 2.180 5.064 423 HB1 ALA 66 HB1 ALA 66 -0.680 2.663 2.927 424 HB2 ALA 66 HB2 ALA 66 -0.603 0.947 2.515 425 HB3 ALA 66 HB3 ALA 66 0.885 1.878 2.699 426 H PHE 67 HN PHE 67 -1.734 -0.502 4.209 427 HA PHE 67 HA PHE 67 -4.145 0.693 4.906 428 HB2 PHE 67 HB2 PHE 67 -3.166 -2.074 4.585 429 HB3 PHE 67 HB1 PHE 67 -4.602 -1.892 5.587 430 HD1 PHE 67 HD1 PHE 67 -6.645 -0.937 4.653 431 HD2 PHE 67 HD2 PHE 67 -3.255 -1.741 2.222 432 HE1 PHE 67 HE1 PHE 67 -8.059 -0.787 2.652 433 HE2 PHE 67 HE2 PHE 67 -4.663 -1.593 0.209 434 HZ PHE 67 HZ PHE 67 -7.070 -1.116 0.426 435 H THR 68 HN THR 68 -1.839 -1.079 6.927 436 HA THR 68 HA THR 68 -3.463 -1.099 9.235 437 HB THR 68 HB THR 68 -0.457 -1.201 9.187 438 HG1 THR 68 HG1 THR 68 -1.119 -2.806 7.786 439 HG21 THR 68 HG21 THR 68 -1.480 -0.976 11.404 440 HG22 THR 68 HG22 THR 68 -0.740 -2.564 11.201 441 HG23 THR 68 HG23 THR 68 -2.490 -2.384 11.078 442 H LYS 69 HN LYS 69 -1.204 1.187 7.911 443 HA LYS 69 HA LYS 69 -0.972 2.803 10.230 444 HB2 LYS 69 HB2 LYS 69 -0.513 3.530 7.342 445 HB3 LYS 69 HB1 LYS 69 0.114 4.381 8.748 446 HG2 LYS 69 HG2 LYS 69 1.226 2.137 9.335 447 HG3 LYS 69 HG1 LYS 69 0.874 1.698 7.672 448 HD2 LYS 69 HD2 LYS 69 3.154 2.589 7.933 449 HD3 LYS 69 HD1 LYS 69 2.165 3.562 6.843 450 HE2 LYS 69 HE2 LYS 69 3.481 4.968 8.334 451 HE3 LYS 69 HE1 LYS 69 1.758 5.164 8.629 452 HZ1 LYS 69 HZ1 LYS 69 1.997 3.611 10.514 453 HZ2 LYS 69 HZ2 LYS 69 2.899 5.026 10.707 454 HZ3 LYS 69 HZ3 LYS 69 3.669 3.592 10.261 455 H VAL 70 HN VAL 70 -3.218 2.733 7.535 456 HA VAL 70 HA VAL 70 -4.277 5.349 8.153 457 HB VAL 70 HB VAL 70 -5.844 5.028 6.365 458 HG11 VAL 70 HG11 VAL 70 -3.036 4.152 5.843 459 HG12 VAL 70 HG12 VAL 70 -3.811 5.698 5.490 460 HG13 VAL 70 HG13 VAL 70 -4.198 4.273 4.531 461 HG21 VAL 70 HG21 VAL 70 -6.489 2.707 6.801 462 HG22 VAL 70 HG22 VAL 70 -4.914 2.158 6.223 463 HG23 VAL 70 HG23 VAL 70 -6.038 2.942 5.111 464 H GLY 71 HN GLY 71 -4.621 2.396 9.580 465 HA2 GLY 71 HA2 GLY 71 -6.011 2.154 11.514 466 HA3 GLY 71 HA1 GLY 71 -7.189 3.216 10.758 467 H GLN 72 HN GLN 72 -5.825 0.857 8.709 468 HA GLN 72 HA GLN 72 -8.160 -0.897 9.088 469 HB2 GLN 72 HB2 GLN 72 -8.499 0.489 7.102 470 HB3 GLN 72 HB1 GLN 72 -6.919 0.036 6.487 471 HG2 GLN 72 HG2 GLN 72 -8.523 -1.203 5.280 472 HG3 GLN 72 HG1 GLN 72 -7.734 -2.325 6.387 473 HE21 GLN 72 HE21 GLN 72 -10.630 -0.585 5.651 474 HE22 GLN 72 HE22 GLN 72 -11.683 -1.496 6.676 475 HA PRO 73 HA PRO 73 -4.315 -3.329 9.447 476 HB2 PRO 73 HB2 PRO 73 -5.258 -5.156 11.194 477 HB3 PRO 73 HB1 PRO 73 -4.690 -3.561 11.699 478 HG2 PRO 73 HG2 PRO 73 -7.483 -4.545 11.313 479 HG3 PRO 73 HG1 PRO 73 -6.835 -3.476 12.568 480 HD2 PRO 73 HD2 PRO 73 -8.225 -2.593 10.378 481 HD3 PRO 73 HD1 PRO 73 -7.029 -1.614 11.249 482 H LYS 74 HN LYS 74 -4.334 -4.162 7.408 483 HA LYS 74 HA LYS 74 -5.951 -6.573 6.971 484 HB2 LYS 74 HB2 LYS 74 -4.503 -4.773 5.020 485 HB3 LYS 74 HB1 LYS 74 -5.218 -6.315 4.568 486 HG2 LYS 74 HG2 LYS 74 -6.681 -3.923 5.661 487 HG3 LYS 74 HG1 LYS 74 -6.699 -4.496 3.992 488 HD2 LYS 74 HD2 LYS 74 -7.722 -6.596 4.725 489 HD3 LYS 74 HD1 LYS 74 -7.704 -6.024 6.393 490 HE2 LYS 74 HE2 LYS 74 -9.126 -4.115 5.683 491 HE3 LYS 74 HE1 LYS 74 -9.238 -4.854 4.088 492 HZ1 LYS 74 HZ1 LYS 74 -10.119 -6.135 6.614 493 HZ2 LYS 74 HZ2 LYS 74 -10.286 -6.774 5.056 494 HZ3 LYS 74 HZ3 LYS 74 -11.145 -5.385 5.497 495 H THR 75 HN THR 75 -4.984 -8.507 6.642 496 HA THR 75 HA THR 75 -2.275 -8.744 7.547 497 HB THR 75 HB THR 75 -2.620 -11.159 7.312 498 HG1 THR 75 HG1 THR 75 -5.020 -11.586 6.687 499 HG21 THR 75 HG21 THR 75 -4.516 -11.413 8.852 500 HG22 THR 75 HG22 THR 75 -5.009 -9.755 8.512 501 HG23 THR 75 HG23 THR 75 -3.477 -10.072 9.325 502 H LEU 76 HN LEU 76 -0.570 -9.787 6.334 503 HA LEU 76 HA LEU 76 -0.285 -8.838 3.696 504 HB2 LEU 76 HB2 LEU 76 1.601 -9.353 5.214 505 HB3 LEU 76 HB1 LEU 76 1.220 -11.059 5.090 506 HG LEU 76 HG LEU 76 1.800 -11.056 2.728 507 HD11 LEU 76 HD11 LEU 76 1.100 -8.811 2.142 508 HD12 LEU 76 HD12 LEU 76 2.787 -9.061 1.693 509 HD13 LEU 76 HD13 LEU 76 2.387 -8.129 3.136 510 HD21 LEU 76 HD21 LEU 76 3.907 -9.730 4.428 511 HD22 LEU 76 HD22 LEU 76 4.194 -10.631 2.940 512 HD23 LEU 76 HD23 LEU 76 3.566 -11.458 4.364 513 H ASN 77 HN ASN 77 -1.393 -11.828 5.075 514 HA ASN 77 HA ASN 77 -1.563 -13.425 2.785 515 HB2 ASN 77 HB2 ASN 77 -1.877 -14.228 5.111 516 HB3 ASN 77 HB1 ASN 77 -3.416 -13.379 5.178 517 HD21 ASN 77 HD21 ASN 77 -4.599 -15.214 5.521 518 HD22 ASN 77 HD22 ASN 77 -4.858 -16.406 4.297 519 H GLU 78 HN GLU 78 -3.926 -11.197 4.236 520 HA GLU 78 HA GLU 78 -5.989 -11.585 2.382 521 HB2 GLU 78 HB2 GLU 78 -5.274 -9.351 4.237 522 HB3 GLU 78 HB1 GLU 78 -6.548 -9.110 3.049 523 HG2 GLU 78 HG2 GLU 78 -6.479 -11.295 5.107 524 HG3 GLU 78 HG1 GLU 78 -7.416 -9.809 5.225 525 H ILE 79 HN ILE 79 -3.280 -9.300 2.354 526 HA ILE 79 HA ILE 79 -4.116 -7.832 0.116 527 HB ILE 79 HB ILE 79 -1.267 -8.350 0.984 528 HG12 ILE 79 HG12 ILE 79 -2.555 -7.448 2.836 529 HG13 ILE 79 HG11 ILE 79 -1.499 -6.193 2.200 530 HG21 ILE 79 HG21 ILE 79 -0.769 -6.235 -0.141 531 HG22 ILE 79 HG22 ILE 79 -2.448 -6.119 -0.670 532 HG23 ILE 79 HG23 ILE 79 -1.423 -7.425 -1.266 533 HD11 ILE 79 HD11 ILE 79 -3.680 -5.295 2.736 534 HD12 ILE 79 HD12 ILE 79 -4.450 -6.468 1.669 535 HD13 ILE 79 HD13 ILE 79 -3.399 -5.222 0.996 536 H LYS 80 HN LYS 80 -2.049 -10.719 0.340 537 HA LYS 80 HA LYS 80 -1.570 -10.997 -2.433 538 HB2 LYS 80 HB2 LYS 80 -1.715 -13.122 -0.286 539 HB3 LYS 80 HB1 LYS 80 -1.055 -13.359 -1.899 540 HG2 LYS 80 HG2 LYS 80 0.653 -11.671 -1.430 541 HG3 LYS 80 HG1 LYS 80 0.012 -11.487 0.202 542 HD2 LYS 80 HD2 LYS 80 0.513 -13.825 0.674 543 HD3 LYS 80 HD1 LYS 80 1.114 -14.040 -0.970 544 HE2 LYS 80 HE2 LYS 80 2.892 -12.445 -0.557 545 HE3 LYS 80 HE1 LYS 80 2.268 -12.135 1.063 546 HZ1 LYS 80 HZ1 LYS 80 2.740 -14.419 1.654 547 HZ2 LYS 80 HZ2 LYS 80 4.144 -13.668 1.085 548 HZ3 LYS 80 HZ3 LYS 80 3.301 -14.743 0.092 549 H ARG 81 HN ARG 81 -4.080 -12.235 -0.323 550 HA ARG 81 HA ARG 81 -5.502 -13.810 -2.147 551 HB2 ARG 81 HB2 ARG 81 -5.983 -13.957 0.185 552 HB3 ARG 81 HB1 ARG 81 -6.358 -12.244 0.282 553 HG2 ARG 81 HG2 ARG 81 -8.343 -12.620 -1.115 554 HG3 ARG 81 HG1 ARG 81 -7.978 -14.347 -1.131 555 HD2 ARG 81 HD2 ARG 81 -8.194 -14.446 1.275 556 HD3 ARG 81 HD1 ARG 81 -8.455 -12.707 1.350 557 HE ARG 81 HE ARG 81 -10.362 -14.079 -0.300 558 HH11 ARG 81 HH11 ARG 81 -9.573 -13.054 2.960 559 HH12 ARG 81 HH12 ARG 81 -11.220 -13.156 3.516 560 HH21 ARG 81 HH21 ARG 81 -12.519 -14.174 0.416 561 HH22 ARG 81 HH22 ARG 81 -12.896 -13.785 2.064 562 H ILE 82 HN ILE 82 -5.754 -10.380 -1.385 563 HA ILE 82 HA ILE 82 -7.935 -9.874 -3.151 564 HB ILE 82 HB ILE 82 -5.975 -8.014 -1.804 565 HG12 ILE 82 HG12 ILE 82 -8.881 -8.498 -1.153 566 HG13 ILE 82 HG11 ILE 82 -7.588 -9.449 -0.429 567 HG21 ILE 82 HG21 ILE 82 -7.522 -6.209 -2.335 568 HG22 ILE 82 HG22 ILE 82 -8.544 -7.332 -3.230 569 HG23 ILE 82 HG23 ILE 82 -6.918 -6.967 -3.809 570 HD11 ILE 82 HD11 ILE 82 -7.962 -6.473 -0.179 571 HD12 ILE 82 HD12 ILE 82 -6.635 -7.402 0.521 572 HD13 ILE 82 HD13 ILE 82 -8.290 -7.685 1.062 573 H LEU 83 HN LEU 83 -4.437 -9.766 -3.454 574 HA LEU 83 HA LEU 83 -4.510 -8.396 -5.988 575 HB2 LEU 83 HB2 LEU 83 -2.309 -9.683 -4.398 576 HB3 LEU 83 HB1 LEU 83 -2.037 -9.054 -6.012 577 HG LEU 83 HG LEU 83 -3.030 -7.413 -3.679 578 HD11 LEU 83 HD11 LEU 83 -0.743 -8.131 -3.309 579 HD12 LEU 83 HD12 LEU 83 -0.793 -6.413 -3.706 580 HD13 LEU 83 HD13 LEU 83 -0.293 -7.586 -4.925 581 HD21 LEU 83 HD21 LEU 83 -3.783 -6.535 -5.805 582 HD22 LEU 83 HD22 LEU 83 -2.151 -6.646 -6.460 583 HD23 LEU 83 HD23 LEU 83 -2.502 -5.512 -5.157 584 H SER 84 HN SER 84 -5.257 -11.498 -5.153 585 HA SER 84 HA SER 84 -4.380 -12.506 -7.766 586 HB2 SER 84 HB2 SER 84 -5.140 -14.772 -6.709 587 HB3 SER 84 HB1 SER 84 -3.595 -14.068 -6.243 588 HG SER 84 HG SER 84 -4.618 -13.228 -4.379 Start of MODEL 19 1 H1 LYS 15 HT1 LYS 15 24.842 -4.086 -0.071 2 H2 LYS 15 HT2 LYS 15 25.036 -3.746 1.573 3 H3 LYS 15 HT3 LYS 15 25.677 -2.698 0.415 4 HA LYS 15 HA LYS 15 23.664 -1.791 1.379 5 HB2 LYS 15 HB2 LYS 15 23.164 -2.720 -1.459 6 HB3 LYS 15 HB1 LYS 15 22.528 -1.275 -0.693 7 HG2 LYS 15 HG2 LYS 15 24.851 -0.405 -0.548 8 HG3 LYS 15 HG1 LYS 15 25.384 -1.809 -1.473 9 HD2 LYS 15 HD2 LYS 15 23.743 -1.126 -3.253 10 HD3 LYS 15 HD1 LYS 15 23.503 0.373 -2.353 11 HE2 LYS 15 HE2 LYS 15 25.119 0.724 -4.119 12 HE3 LYS 15 HE1 LYS 15 25.906 0.853 -2.548 13 HZ1 LYS 15 HZ1 LYS 15 26.851 -1.292 -2.806 14 HZ2 LYS 15 HZ2 LYS 15 27.153 -0.451 -4.243 15 HZ3 LYS 15 HZ3 LYS 15 25.930 -1.617 -4.186 16 HA PRO 16 HA PRO 16 20.118 -4.543 2.064 17 HB2 PRO 16 HB2 PRO 16 18.075 -2.956 1.091 18 HB3 PRO 16 HB1 PRO 16 18.727 -2.845 2.729 19 HG2 PRO 16 HG2 PRO 16 19.347 -1.184 0.320 20 HG3 PRO 16 HG1 PRO 16 19.122 -0.675 2.005 21 HD2 PRO 16 HD2 PRO 16 21.565 -0.895 0.942 22 HD3 PRO 16 HD1 PRO 16 21.253 -1.364 2.625 23 H GLU 17 HN GLU 17 20.275 -6.221 0.616 24 HA GLU 17 HA GLU 17 20.359 -5.569 -2.207 25 HB2 GLU 17 HB2 GLU 17 20.903 -8.174 -0.790 26 HB3 GLU 17 HB1 GLU 17 21.145 -7.890 -2.505 27 HG2 GLU 17 HG2 GLU 17 22.583 -6.468 -0.277 28 HG3 GLU 17 HG1 GLU 17 23.230 -7.796 -1.234 29 H VAL 18 HN VAL 18 17.875 -6.028 -0.342 30 HA VAL 18 HA VAL 18 16.480 -7.894 -2.132 31 HB VAL 18 HB VAL 18 15.537 -6.893 0.555 32 HG11 VAL 18 HG11 VAL 18 13.724 -7.562 -0.936 33 HG12 VAL 18 HG12 VAL 18 13.898 -8.700 0.401 34 HG13 VAL 18 HG13 VAL 18 14.508 -9.119 -1.199 35 HG21 VAL 18 HG21 VAL 18 16.811 -9.530 -0.168 36 HG22 VAL 18 HG22 VAL 18 16.123 -9.116 1.402 37 HG23 VAL 18 HG23 VAL 18 17.542 -8.256 0.806 38 H GLU 19 HN GLU 19 15.893 -4.874 -0.404 39 HA GLU 19 HA GLU 19 13.892 -4.145 -2.419 40 HB2 GLU 19 HB2 GLU 19 14.454 -3.031 0.329 41 HB3 GLU 19 HB1 GLU 19 13.195 -2.443 -0.749 42 HG2 GLU 19 HG2 GLU 19 12.000 -4.482 -0.606 43 HG3 GLU 19 HG1 GLU 19 13.345 -5.286 0.201 44 H HIS 20 HN HIS 20 16.967 -3.271 -1.114 45 HA HIS 20 HA HIS 20 18.564 -1.790 -1.695 46 HB2 HIS 20 HB2 HIS 20 18.072 -2.583 -4.006 47 HB3 HIS 20 HB1 HIS 20 16.920 -1.264 -4.179 48 HD1 HIS 20 HD1 HIS 20 17.856 1.064 -4.688 49 HD2 HIS 20 HD2 HIS 20 20.798 -1.789 -3.960 50 HE1 HIS 20 HE1 HIS 20 20.027 2.130 -5.379 51 HE2 HIS 20 HE2 HIS 20 21.765 0.332 -5.073 52 H THR 21 HN THR 21 15.815 -0.078 -3.165 53 HA THR 21 HA THR 21 16.674 2.302 -1.725 54 HB THR 21 HB THR 21 14.475 2.189 -3.781 55 HG1 THR 21 HG1 THR 21 15.984 2.275 -5.375 56 HG21 THR 21 HG21 THR 21 16.447 4.337 -2.982 57 HG22 THR 21 HG22 THR 21 14.744 4.280 -2.528 58 HG23 THR 21 HG23 THR 21 15.198 4.496 -4.218 59 H HIS 22 HN HIS 22 15.903 2.013 0.348 60 HA HIS 22 HA HIS 22 13.260 1.206 0.977 61 HB2 HIS 22 HB2 HIS 22 15.345 2.698 2.559 62 HB3 HIS 22 HB1 HIS 22 13.761 2.322 3.218 63 HD1 HIS 22 HD1 HIS 22 17.095 0.983 2.954 64 HD2 HIS 22 HD2 HIS 22 13.263 -0.600 3.219 65 HE1 HIS 22 HE1 HIS 22 17.396 -1.393 3.711 66 HE2 HIS 22 HE2 HIS 22 15.056 -2.265 4.047 67 H SER 23 HN SER 23 14.732 4.293 0.253 68 HA SER 23 HA SER 23 12.675 5.971 1.153 69 HB2 SER 23 HB2 SER 23 14.933 6.747 0.441 70 HB3 SER 23 HB1 SER 23 14.488 6.417 -1.231 71 HG SER 23 HG SER 23 13.204 8.252 0.518 72 H GLU 24 HN GLU 24 13.035 4.075 -1.774 73 HA GLU 24 HA GLU 24 10.920 5.307 -3.207 74 HB2 GLU 24 HB2 GLU 24 12.701 3.987 -4.307 75 HB3 GLU 24 HB1 GLU 24 12.069 2.531 -3.551 76 HG2 GLU 24 HG2 GLU 24 10.033 2.688 -4.788 77 HG3 GLU 24 HG1 GLU 24 10.480 4.272 -5.419 78 H ARG 25 HN ARG 25 11.109 2.361 -1.207 79 HA ARG 25 HA ARG 25 8.358 1.723 -1.512 80 HB2 ARG 25 HB2 ARG 25 8.676 0.033 0.067 81 HB3 ARG 25 HB1 ARG 25 10.282 0.212 -0.620 82 HG2 ARG 25 HG2 ARG 25 11.019 1.473 1.281 83 HG3 ARG 25 HG1 ARG 25 9.385 1.512 1.941 84 HD2 ARG 25 HD2 ARG 25 9.492 -1.010 2.021 85 HD3 ARG 25 HD1 ARG 25 11.211 -0.862 1.653 86 HE ARG 25 HE ARG 25 10.568 0.792 3.845 87 HH11 ARG 25 HH11 ARG 25 11.011 -2.591 3.019 88 HH12 ARG 25 HH12 ARG 25 11.347 -3.065 4.660 89 HH21 ARG 25 HH21 ARG 25 11.009 0.159 5.991 90 HH22 ARG 25 HH22 ARG 25 11.349 -1.506 6.343 91 H GLU 26 HN GLU 26 10.193 3.697 0.733 92 HA GLU 26 HA GLU 26 8.237 4.141 2.674 93 HB2 GLU 26 HB2 GLU 26 10.558 4.708 3.028 94 HB3 GLU 26 HB1 GLU 26 10.511 5.882 1.723 95 HG2 GLU 26 HG2 GLU 26 8.918 7.225 3.010 96 HG3 GLU 26 HG1 GLU 26 9.022 6.061 4.330 97 H LYS 27 HN LYS 27 8.981 5.973 -0.294 98 HA LYS 27 HA LYS 27 6.952 7.905 0.217 99 HB2 LYS 27 HB2 LYS 27 7.366 8.747 -2.000 100 HB3 LYS 27 HB1 LYS 27 8.901 8.375 -1.234 101 HG2 LYS 27 HG2 LYS 27 9.117 6.361 -2.531 102 HG3 LYS 27 HG1 LYS 27 7.511 6.600 -3.224 103 HD2 LYS 27 HD2 LYS 27 8.259 8.678 -4.263 104 HD3 LYS 27 HD1 LYS 27 9.860 8.461 -3.557 105 HE2 LYS 27 HE2 LYS 27 10.194 6.443 -4.845 106 HE3 LYS 27 HE1 LYS 27 8.552 6.543 -5.480 107 HZ1 LYS 27 HZ1 LYS 27 10.236 7.368 -7.041 108 HZ2 LYS 27 HZ2 LYS 27 10.667 8.575 -5.940 109 HZ3 LYS 27 HZ3 LYS 27 9.118 8.564 -6.617 110 H ARG 28 HN ARG 28 7.059 4.836 -1.482 111 HA ARG 28 HA ARG 28 4.543 5.075 -2.747 112 HB2 ARG 28 HB2 ARG 28 6.093 2.627 -1.905 113 HB3 ARG 28 HB1 ARG 28 4.608 2.573 -2.841 114 HG2 ARG 28 HG2 ARG 28 5.757 4.019 -4.545 115 HG3 ARG 28 HG1 ARG 28 7.252 3.737 -3.652 116 HD2 ARG 28 HD2 ARG 28 5.495 1.628 -4.906 117 HD3 ARG 28 HD1 ARG 28 7.042 2.195 -5.523 118 HE ARG 28 HE ARG 28 6.732 0.748 -2.955 119 HH11 ARG 28 HH11 ARG 28 8.471 1.409 -5.931 120 HH12 ARG 28 HH12 ARG 28 9.742 0.286 -5.588 121 HH21 ARG 28 HH21 ARG 28 8.367 -0.783 -2.536 122 HH22 ARG 28 HH22 ARG 28 9.687 -0.965 -3.658 123 H VAL 29 HN VAL 29 5.509 3.646 0.374 124 HA VAL 29 HA VAL 29 2.935 2.941 1.240 125 HB VAL 29 HB VAL 29 5.302 3.847 2.901 126 HG11 VAL 29 HG11 VAL 29 3.224 4.068 4.170 127 HG12 VAL 29 HG12 VAL 29 4.195 2.732 4.787 128 HG13 VAL 29 HG13 VAL 29 2.792 2.406 3.767 129 HG21 VAL 29 HG21 VAL 29 5.776 1.864 1.575 130 HG22 VAL 29 HG22 VAL 29 4.314 1.089 2.184 131 HG23 VAL 29 HG23 VAL 29 5.645 1.445 3.284 132 H SER 30 HN SER 30 4.760 5.963 1.589 133 HA SER 30 HA SER 30 2.875 7.394 3.070 134 HB2 SER 30 HB2 SER 30 4.790 8.472 0.987 135 HB3 SER 30 HB1 SER 30 4.017 9.404 2.269 136 HG SER 30 HG SER 30 5.993 7.382 2.489 137 H ASN 31 HN ASN 31 3.241 7.066 -0.453 138 HA ASN 31 HA ASN 31 1.107 8.735 -1.205 139 HB2 ASN 31 HB2 ASN 31 2.355 6.353 -2.585 140 HB3 ASN 31 HB1 ASN 31 1.125 7.364 -3.330 141 HD21 ASN 31 HD21 ASN 31 3.867 6.867 -4.144 142 HD22 ASN 31 HD22 ASN 31 4.637 8.412 -4.203 143 H ALA 32 HN ALA 32 1.246 5.359 -0.299 144 HA ALA 32 HA ALA 32 -1.424 4.738 -1.077 145 HB1 ALA 32 HB1 ALA 32 0.265 3.009 -0.927 146 HB2 ALA 32 HB2 ALA 32 -1.069 2.660 0.173 147 HB3 ALA 32 HB3 ALA 32 0.445 3.309 0.801 148 H VAL 33 HN VAL 33 0.119 5.540 2.006 149 HA VAL 33 HA VAL 33 -2.164 5.238 3.611 150 HB VAL 33 HB VAL 33 0.197 7.092 4.011 151 HG11 VAL 33 HG11 VAL 33 -1.701 7.761 5.402 152 HG12 VAL 33 HG12 VAL 33 -0.404 7.072 6.381 153 HG13 VAL 33 HG13 VAL 33 -1.836 6.112 6.013 154 HG21 VAL 33 HG21 VAL 33 1.019 5.305 5.495 155 HG22 VAL 33 HG22 VAL 33 0.877 4.779 3.818 156 HG23 VAL 33 HG23 VAL 33 -0.339 4.296 4.999 157 H GLU 34 HN GLU 34 -0.911 8.051 1.843 158 HA GLU 34 HA GLU 34 -2.927 9.821 2.783 159 HB2 GLU 34 HB2 GLU 34 -2.092 11.400 1.193 160 HB3 GLU 34 HB1 GLU 34 -0.718 10.536 1.867 161 HG2 GLU 34 HG2 GLU 34 -0.504 9.212 -0.109 162 HG3 GLU 34 HG1 GLU 34 -1.976 9.909 -0.784 163 H PHE 35 HN PHE 35 -2.649 7.705 -0.016 164 HA PHE 35 HA PHE 35 -4.961 8.680 -1.365 165 HB2 PHE 35 HB2 PHE 35 -3.168 7.486 -2.536 166 HB3 PHE 35 HB1 PHE 35 -3.503 6.036 -1.601 167 HD1 PHE 35 HD1 PHE 35 -4.995 8.364 -4.076 168 HD2 PHE 35 HD2 PHE 35 -5.043 4.472 -2.357 169 HE1 PHE 35 HE1 PHE 35 -6.564 7.616 -5.820 170 HE2 PHE 35 HE2 PHE 35 -6.610 3.716 -4.095 171 HZ PHE 35 HZ PHE 35 -7.374 5.291 -5.831 172 H LEU 36 HN LEU 36 -4.336 5.963 0.806 173 HA LEU 36 HA LEU 36 -6.938 4.865 0.697 174 HB2 LEU 36 HB2 LEU 36 -4.716 4.634 2.701 175 HB3 LEU 36 HB1 LEU 36 -6.223 3.757 2.864 176 HG LEU 36 HG LEU 36 -4.293 3.498 0.558 177 HD11 LEU 36 HD11 LEU 36 -3.804 1.294 1.512 178 HD12 LEU 36 HD12 LEU 36 -4.832 1.674 2.894 179 HD13 LEU 36 HD13 LEU 36 -3.359 2.602 2.610 180 HD21 LEU 36 HD21 LEU 36 -5.666 1.535 -0.023 181 HD22 LEU 36 HD22 LEU 36 -6.563 3.048 -0.136 182 HD23 LEU 36 HD23 LEU 36 -6.805 1.981 1.246 183 H LEU 37 HN LEU 37 -5.521 7.426 2.582 184 HA LEU 37 HA LEU 37 -7.745 7.533 4.429 185 HB2 LEU 37 HB2 LEU 37 -5.149 8.942 4.142 186 HB3 LEU 37 HB1 LEU 37 -6.435 9.787 4.984 187 HG LEU 37 HG LEU 37 -5.352 7.074 5.735 188 HD11 LEU 37 HD11 LEU 37 -4.978 9.772 7.027 189 HD12 LEU 37 HD12 LEU 37 -3.744 8.851 6.169 190 HD13 LEU 37 HD13 LEU 37 -4.417 8.231 7.677 191 HD21 LEU 37 HD21 LEU 37 -7.658 7.221 6.335 192 HD22 LEU 37 HD22 LEU 37 -7.443 8.847 6.975 193 HD23 LEU 37 HD23 LEU 37 -6.706 7.472 7.798 194 H ASP 38 HN ASP 38 -7.598 8.329 1.339 195 HA ASP 38 HA ASP 38 -8.806 10.936 1.488 196 HB2 ASP 38 HB2 ASP 38 -7.493 10.387 -0.484 197 HB3 ASP 38 HB1 ASP 38 -8.520 8.998 -0.816 198 H SER 39 HN SER 39 -10.958 11.425 1.349 199 HA SER 39 HA SER 39 -12.761 9.576 2.431 200 HB2 SER 39 HB2 SER 39 -13.421 12.123 0.936 201 HB3 SER 39 HB1 SER 39 -14.433 11.303 2.124 202 HG SER 39 HG SER 39 -13.276 13.069 3.027 203 H ARG 40 HN ARG 40 -12.129 10.506 -0.911 204 HA ARG 40 HA ARG 40 -14.460 9.236 -1.978 205 HB2 ARG 40 HB2 ARG 40 -11.887 9.973 -3.391 206 HB3 ARG 40 HB1 ARG 40 -13.386 9.505 -4.173 207 HG2 ARG 40 HG2 ARG 40 -13.329 11.822 -4.374 208 HG3 ARG 40 HG1 ARG 40 -14.418 11.542 -3.016 209 HD2 ARG 40 HD2 ARG 40 -12.716 12.106 -1.441 210 HD3 ARG 40 HD1 ARG 40 -11.482 12.139 -2.698 211 HE ARG 40 HE ARG 40 -13.636 14.029 -3.054 212 HH11 ARG 40 HH11 ARG 40 -10.442 13.444 -1.718 213 HH12 ARG 40 HH12 ARG 40 -10.037 15.131 -1.639 214 HH21 ARG 40 HH21 ARG 40 -13.093 16.242 -2.952 215 HH22 ARG 40 HH22 ARG 40 -11.542 16.722 -2.344 216 H VAL 41 HN VAL 41 -11.127 8.348 -1.429 217 HA VAL 41 HA VAL 41 -11.295 5.832 -2.785 218 HB VAL 41 HB VAL 41 -9.209 6.876 -0.864 219 HG11 VAL 41 HG11 VAL 41 -9.112 4.523 -2.755 220 HG12 VAL 41 HG12 VAL 41 -9.155 4.442 -0.994 221 HG13 VAL 41 HG13 VAL 41 -7.757 5.141 -1.810 222 HG21 VAL 41 HG21 VAL 41 -9.299 6.830 -3.880 223 HG22 VAL 41 HG22 VAL 41 -7.924 7.345 -2.904 224 HG23 VAL 41 HG23 VAL 41 -9.433 8.256 -2.851 225 H ARG 42 HN ARG 42 -11.497 6.867 0.605 226 HA ARG 42 HA ARG 42 -11.609 4.246 1.656 227 HB2 ARG 42 HB2 ARG 42 -12.359 5.209 3.706 228 HB3 ARG 42 HB1 ARG 42 -11.177 6.304 3.013 229 HG2 ARG 42 HG2 ARG 42 -13.039 7.705 2.186 230 HG3 ARG 42 HG1 ARG 42 -14.166 6.633 3.024 231 HD2 ARG 42 HD2 ARG 42 -13.030 7.123 5.147 232 HD3 ARG 42 HD1 ARG 42 -11.939 8.219 4.302 233 HE ARG 42 HE ARG 42 -14.591 9.005 3.808 234 HH11 ARG 42 HH11 ARG 42 -12.289 8.870 6.442 235 HH12 ARG 42 HH12 ARG 42 -12.955 10.242 7.266 236 HH21 ARG 42 HH21 ARG 42 -15.470 10.817 4.889 237 HH22 ARG 42 HH22 ARG 42 -14.771 11.347 6.386 238 H ARG 43 HN ARG 43 -13.842 6.125 -0.102 239 HA ARG 43 HA ARG 43 -16.188 4.700 0.785 240 HB2 ARG 43 HB2 ARG 43 -16.266 7.076 0.081 241 HB3 ARG 43 HB1 ARG 43 -15.834 6.587 -1.550 242 HG2 ARG 43 HG2 ARG 43 -18.212 7.003 -1.384 243 HG3 ARG 43 HG1 ARG 43 -17.908 5.294 -1.705 244 HD2 ARG 43 HD2 ARG 43 -18.202 4.804 0.675 245 HD3 ARG 43 HD1 ARG 43 -18.518 6.508 0.985 246 HE ARG 43 HE ARG 43 -20.314 5.574 -0.970 247 HH11 ARG 43 HH11 ARG 43 -19.614 5.220 2.442 248 HH12 ARG 43 HH12 ARG 43 -21.259 4.873 2.875 249 HH21 ARG 43 HH21 ARG 43 -22.492 5.117 -0.398 250 HH22 ARG 43 HH22 ARG 43 -22.891 4.818 1.266 251 H THR 44 HN THR 44 -13.749 4.217 -1.630 252 HA THR 44 HA THR 44 -15.412 2.528 -3.276 253 HB THR 44 HB THR 44 -13.092 1.874 -4.250 254 HG1 THR 44 HG1 THR 44 -12.244 3.356 -2.289 255 HG21 THR 44 HG21 THR 44 -13.089 3.845 -5.690 256 HG22 THR 44 HG22 THR 44 -14.152 4.678 -4.554 257 HG23 THR 44 HG23 THR 44 -14.728 3.254 -5.420 258 HA PRO 45 HA PRO 45 -14.770 -1.419 -1.358 259 HB2 PRO 45 HB2 PRO 45 -13.950 -2.950 -3.502 260 HB3 PRO 45 HB1 PRO 45 -15.634 -2.556 -3.140 261 HG2 PRO 45 HG2 PRO 45 -13.752 -1.255 -5.069 262 HG3 PRO 45 HG1 PRO 45 -15.467 -1.667 -5.280 263 HD2 PRO 45 HD2 PRO 45 -14.709 0.837 -4.755 264 HD3 PRO 45 HD1 PRO 45 -16.182 0.161 -4.029 265 H THR 46 HN THR 46 -13.153 -2.721 -0.516 266 HA THR 46 HA THR 46 -10.615 -1.589 -0.228 267 HB THR 46 HB THR 46 -10.901 -4.509 0.204 268 HG1 THR 46 HG1 THR 46 -12.180 -2.893 2.090 269 HG21 THR 46 HG21 THR 46 -8.956 -3.289 1.045 270 HG22 THR 46 HG22 THR 46 -9.920 -3.920 2.381 271 HG23 THR 46 HG23 THR 46 -10.015 -2.212 1.956 272 H SER 47 HN SER 47 -11.800 -4.117 -2.364 273 HA SER 47 HA SER 47 -9.379 -5.141 -3.289 274 HB2 SER 47 HB2 SER 47 -10.767 -5.732 -5.350 275 HB3 SER 47 HB1 SER 47 -11.372 -6.322 -3.801 276 HG SER 47 HG SER 47 -13.090 -5.143 -4.047 277 H SER 48 HN SER 48 -11.303 -2.413 -4.464 278 HA SER 48 HA SER 48 -9.747 -1.758 -6.688 279 HB2 SER 48 HB2 SER 48 -11.545 -0.128 -4.898 280 HB3 SER 48 HB1 SER 48 -10.790 0.519 -6.342 281 HG SER 48 HG SER 48 -11.921 -1.797 -6.985 282 H LYS 49 HN LYS 49 -9.636 -0.623 -3.342 283 HA LYS 49 HA LYS 49 -7.628 1.294 -3.587 284 HB2 LYS 49 HB2 LYS 49 -8.013 -0.548 -1.230 285 HB3 LYS 49 HB1 LYS 49 -7.298 1.054 -1.209 286 HG2 LYS 49 HG2 LYS 49 -9.447 2.045 -1.729 287 HG3 LYS 49 HG1 LYS 49 -10.177 0.440 -1.839 288 HD2 LYS 49 HD2 LYS 49 -9.422 0.076 0.549 289 HD3 LYS 49 HD1 LYS 49 -9.041 1.797 0.598 290 HE2 LYS 49 HE2 LYS 49 -11.357 2.333 0.060 291 HE3 LYS 49 HE1 LYS 49 -11.738 0.615 -0.029 292 HZ1 LYS 49 HZ1 LYS 49 -12.401 1.534 2.094 293 HZ2 LYS 49 HZ2 LYS 49 -10.824 2.060 2.400 294 HZ3 LYS 49 HZ3 LYS 49 -11.161 0.408 2.317 295 H VAL 50 HN VAL 50 -7.386 -2.152 -2.793 296 HA VAL 50 HA VAL 50 -4.579 -2.208 -2.483 297 HB VAL 50 HB VAL 50 -6.437 -4.473 -3.242 298 HG11 VAL 50 HG11 VAL 50 -4.689 -5.944 -2.354 299 HG12 VAL 50 HG12 VAL 50 -3.640 -4.548 -2.115 300 HG13 VAL 50 HG13 VAL 50 -4.121 -5.021 -3.744 301 HG21 VAL 50 HG21 VAL 50 -5.418 -3.594 -0.543 302 HG22 VAL 50 HG22 VAL 50 -6.396 -5.026 -0.858 303 HG23 VAL 50 HG23 VAL 50 -7.069 -3.420 -1.138 304 H HIS 51 HN HIS 51 -6.661 -2.907 -5.266 305 HA HIS 51 HA HIS 51 -4.588 -3.814 -6.958 306 HB2 HIS 51 HB2 HIS 51 -7.365 -2.788 -7.503 307 HB3 HIS 51 HB1 HIS 51 -6.280 -3.247 -8.810 308 HD1 HIS 51 HD1 HIS 51 -8.173 -5.094 -9.309 309 HD2 HIS 51 HD2 HIS 51 -6.009 -5.599 -5.794 310 HE1 HIS 51 HE1 HIS 51 -8.565 -7.476 -8.608 311 HE2 HIS 51 HE2 HIS 51 -7.298 -7.750 -6.447 312 H PHE 52 HN PHE 52 -5.981 -0.605 -6.430 313 HA PHE 52 HA PHE 52 -4.591 0.693 -8.515 314 HB2 PHE 52 HB2 PHE 52 -6.506 1.724 -7.362 315 HB3 PHE 52 HB1 PHE 52 -5.555 1.839 -5.884 316 HD1 PHE 52 HD1 PHE 52 -3.802 3.495 -5.657 317 HD2 PHE 52 HD2 PHE 52 -6.087 3.200 -9.232 318 HE1 PHE 52 HE1 PHE 52 -2.970 5.699 -6.365 319 HE2 PHE 52 HE2 PHE 52 -5.261 5.403 -9.946 320 HZ PHE 52 HZ PHE 52 -3.699 6.654 -8.513 321 H LEU 53 HN LEU 53 -3.829 0.270 -5.075 322 HA LEU 53 HA LEU 53 -1.433 1.737 -5.082 323 HB2 LEU 53 HB2 LEU 53 -2.253 -0.567 -3.315 324 HB3 LEU 53 HB1 LEU 53 -0.921 0.526 -2.995 325 HG LEU 53 HG LEU 53 -3.843 1.274 -3.098 326 HD11 LEU 53 HD11 LEU 53 -3.319 0.048 -1.102 327 HD12 LEU 53 HD12 LEU 53 -3.497 1.755 -0.697 328 HD13 LEU 53 HD13 LEU 53 -1.889 1.041 -0.820 329 HD21 LEU 53 HD21 LEU 53 -2.481 3.095 -3.934 330 HD22 LEU 53 HD22 LEU 53 -1.410 2.965 -2.541 331 HD23 LEU 53 HD23 LEU 53 -3.082 3.480 -2.321 332 H LYS 54 HN LYS 54 -2.045 -1.715 -5.632 333 HA LYS 54 HA LYS 54 0.624 -2.507 -5.854 334 HB2 LYS 54 HB2 LYS 54 -1.248 -4.090 -5.666 335 HB3 LYS 54 HB1 LYS 54 -1.806 -3.623 -7.269 336 HG2 LYS 54 HG2 LYS 54 -0.610 -5.713 -7.384 337 HG3 LYS 54 HG1 LYS 54 0.299 -4.452 -8.222 338 HD2 LYS 54 HD2 LYS 54 1.525 -4.157 -5.968 339 HD3 LYS 54 HD1 LYS 54 0.862 -5.745 -5.577 340 HE2 LYS 54 HE2 LYS 54 1.903 -6.667 -7.577 341 HE3 LYS 54 HE1 LYS 54 2.548 -5.077 -7.975 342 HZ1 LYS 54 HZ1 LYS 54 4.219 -6.436 -6.904 343 HZ2 LYS 54 HZ2 LYS 54 3.217 -6.670 -5.563 344 HZ3 LYS 54 HZ3 LYS 54 3.814 -5.126 -5.908 345 H SER 55 HN SER 55 -1.653 -1.257 -8.249 346 HA SER 55 HA SER 55 0.054 -1.510 -10.478 347 HB2 SER 55 HB2 SER 55 -2.265 0.382 -10.038 348 HB3 SER 55 HB1 SER 55 -1.561 -0.056 -11.590 349 HG SER 55 HG SER 55 -2.937 -1.754 -9.772 350 H LYS 56 HN LYS 56 -0.010 0.704 -7.861 351 HA LYS 56 HA LYS 56 1.382 2.823 -9.216 352 HB2 LYS 56 HB2 LYS 56 0.589 2.290 -6.373 353 HB3 LYS 56 HB1 LYS 56 1.710 3.581 -6.754 354 HG2 LYS 56 HG2 LYS 56 -0.833 3.490 -8.265 355 HG3 LYS 56 HG1 LYS 56 -0.902 3.972 -6.573 356 HD2 LYS 56 HD2 LYS 56 -0.693 5.915 -8.046 357 HD3 LYS 56 HD1 LYS 56 0.712 5.751 -6.996 358 HE2 LYS 56 HE2 LYS 56 1.401 6.351 -9.239 359 HE3 LYS 56 HE1 LYS 56 1.960 4.728 -8.845 360 HZ1 LYS 56 HZ1 LYS 56 0.068 3.845 -10.109 361 HZ2 LYS 56 HZ2 LYS 56 1.088 4.789 -11.070 362 HZ3 LYS 56 HZ3 LYS 56 -0.385 5.418 -10.530 363 H GLY 57 HN GLY 57 2.286 -0.184 -8.190 364 HA2 GLY 57 HA2 GLY 57 4.498 -0.938 -8.650 365 HA3 GLY 57 HA1 GLY 57 5.098 0.659 -8.232 366 H LEU 58 HN LEU 58 2.784 -0.355 -6.020 367 HA LEU 58 HA LEU 58 4.755 -0.584 -3.962 368 HB2 LEU 58 HB2 LEU 58 1.776 -0.678 -4.043 369 HB3 LEU 58 HB1 LEU 58 2.598 -1.311 -2.632 370 HG LEU 58 HG LEU 58 3.776 0.966 -2.525 371 HD11 LEU 58 HD11 LEU 58 3.166 1.766 -4.738 372 HD12 LEU 58 HD12 LEU 58 2.526 2.833 -3.488 373 HD13 LEU 58 HD13 LEU 58 1.457 1.692 -4.306 374 HD21 LEU 58 HD21 LEU 58 1.945 1.921 -1.253 375 HD22 LEU 58 HD22 LEU 58 2.099 0.192 -0.937 376 HD23 LEU 58 HD23 LEU 58 0.820 0.784 -1.996 377 H SER 59 HN SER 59 5.037 -2.316 -2.542 378 HA SER 59 HA SER 59 4.621 -4.953 -3.710 379 HB2 SER 59 HB2 SER 59 6.092 -4.240 -1.166 380 HB3 SER 59 HB1 SER 59 6.235 -5.724 -2.109 381 HG SER 59 HG SER 59 7.387 -3.235 -2.507 382 H ALA 60 HN ALA 60 3.794 -6.685 -2.235 383 HA ALA 60 HA ALA 60 1.257 -6.012 -1.280 384 HB1 ALA 60 HB1 ALA 60 1.857 -8.255 -2.039 385 HB2 ALA 60 HB2 ALA 60 1.150 -8.294 -0.425 386 HB3 ALA 60 HB3 ALA 60 2.893 -8.460 -0.628 387 H GLU 61 HN GLU 61 4.311 -6.401 0.422 388 HA GLU 61 HA GLU 61 3.225 -6.204 3.042 389 HB2 GLU 61 HB2 GLU 61 6.007 -5.875 1.938 390 HB3 GLU 61 HB1 GLU 61 5.645 -5.701 3.649 391 HG2 GLU 61 HG2 GLU 61 4.932 -7.959 3.817 392 HG3 GLU 61 HG1 GLU 61 4.962 -8.160 2.067 393 H GLU 62 HN GLU 62 4.289 -3.866 0.688 394 HA GLU 62 HA GLU 62 4.372 -1.632 2.456 395 HB2 GLU 62 HB2 GLU 62 4.107 -1.838 -0.543 396 HB3 GLU 62 HB1 GLU 62 4.239 -0.307 0.314 397 HG2 GLU 62 HG2 GLU 62 6.420 -0.828 1.085 398 HG3 GLU 62 HG1 GLU 62 6.283 -2.496 0.531 399 H ILE 63 HN ILE 63 1.964 -2.925 0.217 400 HA ILE 63 HA ILE 63 -0.076 -1.054 0.713 401 HB ILE 63 HB ILE 63 -0.398 -3.978 0.003 402 HG12 ILE 63 HG12 ILE 63 -0.211 -1.611 -1.870 403 HG13 ILE 63 HG11 ILE 63 1.141 -2.678 -1.506 404 HG21 ILE 63 HG21 ILE 63 -2.503 -3.231 -1.043 405 HG22 ILE 63 HG22 ILE 63 -2.228 -1.615 -0.397 406 HG23 ILE 63 HG23 ILE 63 -2.483 -2.972 0.701 407 HD11 ILE 63 HD11 ILE 63 -0.072 -4.558 -2.445 408 HD12 ILE 63 HD12 ILE 63 0.078 -3.249 -3.618 409 HD13 ILE 63 HD13 ILE 63 -1.452 -3.512 -2.781 410 H CYS 64 HN CYS 64 0.744 -4.124 2.232 411 HA CYS 64 HA CYS 64 -1.348 -4.380 4.037 412 HB2 CYS 64 HB2 CYS 64 0.282 -6.149 3.607 413 HB3 CYS 64 HB1 CYS 64 1.556 -5.181 4.336 414 HG CYS 64 HG CYS 64 -1.108 -5.893 6.287 415 H GLU 65 HN GLU 65 1.768 -2.705 4.438 416 HA GLU 65 HA GLU 65 1.283 -1.865 7.084 417 HB2 GLU 65 HB2 GLU 65 3.538 -1.876 6.347 418 HB3 GLU 65 HB1 GLU 65 3.160 -0.894 4.936 419 HG2 GLU 65 HG2 GLU 65 2.766 1.021 6.302 420 HG3 GLU 65 HG1 GLU 65 2.940 0.073 7.774 421 H ALA 66 HN ALA 66 0.865 -0.255 3.950 422 HA ALA 66 HA ALA 66 0.138 2.262 4.878 423 HB1 ALA 66 HB1 ALA 66 -0.813 0.889 2.373 424 HB2 ALA 66 HB2 ALA 66 0.700 1.777 2.550 425 HB3 ALA 66 HB3 ALA 66 -0.841 2.625 2.686 426 H PHE 67 HN PHE 67 -1.915 -0.553 4.187 427 HA PHE 67 HA PHE 67 -4.368 0.668 4.770 428 HB2 PHE 67 HB2 PHE 67 -3.370 -2.096 4.532 429 HB3 PHE 67 HB1 PHE 67 -4.802 -1.900 5.539 430 HD1 PHE 67 HD1 PHE 67 -3.458 -1.715 2.156 431 HD2 PHE 67 HD2 PHE 67 -6.875 -1.091 4.602 432 HE1 PHE 67 HE1 PHE 67 -4.876 -1.615 0.148 433 HE2 PHE 67 HE2 PHE 67 -8.301 -0.993 2.605 434 HZ PHE 67 HZ PHE 67 -7.303 -1.254 0.374 435 H THR 68 HN THR 68 -2.082 -1.047 6.858 436 HA THR 68 HA THR 68 -3.658 -0.905 9.195 437 HB THR 68 HB THR 68 -0.640 -1.001 9.088 438 HG1 THR 68 HG1 THR 68 -1.421 -2.679 7.788 439 HG21 THR 68 HG21 THR 68 -2.627 -2.050 11.106 440 HG22 THR 68 HG22 THR 68 -1.607 -0.622 11.306 441 HG23 THR 68 HG23 THR 68 -0.873 -2.222 11.195 442 H LYS 69 HN LYS 69 -1.369 1.270 7.688 443 HA LYS 69 HA LYS 69 -1.003 3.108 9.774 444 HB2 LYS 69 HB2 LYS 69 -0.970 3.489 6.784 445 HB3 LYS 69 HB1 LYS 69 -0.432 4.702 7.932 446 HG2 LYS 69 HG2 LYS 69 0.780 1.997 8.064 447 HG3 LYS 69 HG1 LYS 69 1.244 3.066 6.750 448 HD2 LYS 69 HD2 LYS 69 1.386 3.771 9.668 449 HD3 LYS 69 HD1 LYS 69 2.749 3.209 8.698 450 HE2 LYS 69 HE2 LYS 69 2.371 5.149 7.183 451 HE3 LYS 69 HE1 LYS 69 1.157 5.737 8.316 452 HZ1 LYS 69 HZ1 LYS 69 4.031 5.305 8.923 453 HZ2 LYS 69 HZ2 LYS 69 2.869 5.854 10.023 454 HZ3 LYS 69 HZ3 LYS 69 3.282 6.803 8.689 455 H VAL 70 HN VAL 70 -3.543 2.785 7.350 456 HA VAL 70 HA VAL 70 -4.650 5.380 8.048 457 HB VAL 70 HB VAL 70 -6.224 5.069 6.242 458 HG11 VAL 70 HG11 VAL 70 -3.554 4.113 5.244 459 HG12 VAL 70 HG12 VAL 70 -3.824 5.753 5.828 460 HG13 VAL 70 HG13 VAL 70 -4.719 5.159 4.435 461 HG21 VAL 70 HG21 VAL 70 -6.237 3.063 4.849 462 HG22 VAL 70 HG22 VAL 70 -6.674 2.678 6.513 463 HG23 VAL 70 HG23 VAL 70 -5.056 2.305 5.917 464 H GLY 71 HN GLY 71 -4.832 2.498 9.499 465 HA2 GLY 71 HA2 GLY 71 -6.234 2.170 11.387 466 HA3 GLY 71 HA1 GLY 71 -7.443 3.192 10.633 467 H GLN 72 HN GLN 72 -6.021 0.830 8.608 468 HA GLN 72 HA GLN 72 -8.297 -0.990 9.060 469 HB2 GLN 72 HB2 GLN 72 -8.581 0.381 7.004 470 HB3 GLN 72 HB1 GLN 72 -7.053 -0.237 6.404 471 HG2 GLN 72 HG2 GLN 72 -8.753 -1.443 5.312 472 HG3 GLN 72 HG1 GLN 72 -8.059 -2.534 6.510 473 HE21 GLN 72 HE21 GLN 72 -10.790 -0.552 5.674 474 HE22 GLN 72 HE22 GLN 72 -11.910 -1.293 6.764 475 HA PRO 73 HA PRO 73 -4.355 -3.241 9.572 476 HB2 PRO 73 HB2 PRO 73 -5.299 -5.098 11.310 477 HB3 PRO 73 HB1 PRO 73 -4.747 -3.494 11.800 478 HG2 PRO 73 HG2 PRO 73 -7.518 -4.514 11.432 479 HG3 PRO 73 HG1 PRO 73 -6.892 -3.385 12.642 480 HD2 PRO 73 HD2 PRO 73 -8.300 -2.626 10.415 481 HD3 PRO 73 HD1 PRO 73 -7.137 -1.582 11.254 482 H LYS 74 HN LYS 74 -4.209 -4.109 7.584 483 HA LYS 74 HA LYS 74 -5.672 -6.599 7.055 484 HB2 LYS 74 HB2 LYS 74 -4.321 -4.617 5.233 485 HB3 LYS 74 HB1 LYS 74 -4.721 -6.240 4.693 486 HG2 LYS 74 HG2 LYS 74 -6.703 -4.235 5.749 487 HG3 LYS 74 HG1 LYS 74 -6.400 -4.568 4.041 488 HD2 LYS 74 HD2 LYS 74 -7.009 -6.954 4.484 489 HD3 LYS 74 HD1 LYS 74 -7.484 -6.472 6.113 490 HE2 LYS 74 HE2 LYS 74 -9.127 -4.925 5.179 491 HE3 LYS 74 HE1 LYS 74 -8.648 -5.398 3.547 492 HZ1 LYS 74 HZ1 LYS 74 -9.311 -7.710 4.154 493 HZ2 LYS 74 HZ2 LYS 74 -10.592 -6.604 4.109 494 HZ3 LYS 74 HZ3 LYS 74 -9.957 -7.097 5.596 495 H THR 75 HN THR 75 -4.545 -8.453 6.528 496 HA THR 75 HA THR 75 -1.786 -8.541 7.424 497 HB THR 75 HB THR 75 -2.051 -11.013 7.084 498 HG1 THR 75 HG1 THR 75 -4.330 -11.662 6.809 499 HG21 THR 75 HG21 THR 75 -3.577 -11.352 8.976 500 HG22 THR 75 HG22 THR 75 -4.142 -9.689 8.813 501 HG23 THR 75 HG23 THR 75 -2.470 -10.010 9.272 502 H LEU 76 HN LEU 76 -0.218 -9.799 6.141 503 HA LEU 76 HA LEU 76 0.034 -8.909 3.485 504 HB2 LEU 76 HB2 LEU 76 1.946 -9.562 4.859 505 HB3 LEU 76 HB1 LEU 76 1.365 -11.213 4.915 506 HG LEU 76 HG LEU 76 1.732 -11.423 2.489 507 HD11 LEU 76 HD11 LEU 76 1.417 -9.104 1.849 508 HD12 LEU 76 HD12 LEU 76 2.992 -9.685 1.309 509 HD13 LEU 76 HD13 LEU 76 2.876 -8.645 2.728 510 HD21 LEU 76 HD21 LEU 76 3.487 -12.106 4.028 511 HD22 LEU 76 HD22 LEU 76 4.132 -10.466 4.044 512 HD23 LEU 76 HD23 LEU 76 4.183 -11.417 2.561 513 H ASN 77 HN ASN 77 -1.258 -11.813 4.939 514 HA ASN 77 HA ASN 77 -1.599 -13.347 2.604 515 HB2 ASN 77 HB2 ASN 77 -1.764 -14.175 4.979 516 HB3 ASN 77 HB1 ASN 77 -3.351 -13.424 5.065 517 HD21 ASN 77 HD21 ASN 77 -5.064 -14.336 3.966 518 HD22 ASN 77 HD22 ASN 77 -4.991 -15.915 3.265 519 H GLU 78 HN GLU 78 -3.706 -11.014 4.240 520 HA GLU 78 HA GLU 78 -5.976 -11.242 2.632 521 HB2 GLU 78 HB2 GLU 78 -4.782 -9.028 4.239 522 HB3 GLU 78 HB1 GLU 78 -6.080 -8.634 3.126 523 HG2 GLU 78 HG2 GLU 78 -6.274 -10.719 5.279 524 HG3 GLU 78 HG1 GLU 78 -6.816 -9.052 5.454 525 H ILE 79 HN ILE 79 -3.122 -9.179 2.223 526 HA ILE 79 HA ILE 79 -4.020 -7.860 -0.091 527 HB ILE 79 HB ILE 79 -1.150 -8.366 0.711 528 HG12 ILE 79 HG12 ILE 79 -2.368 -7.344 2.561 529 HG13 ILE 79 HG11 ILE 79 -1.289 -6.161 1.830 530 HG21 ILE 79 HG21 ILE 79 -0.691 -6.305 -0.544 531 HG22 ILE 79 HG22 ILE 79 -2.386 -6.232 -1.026 532 HG23 ILE 79 HG23 ILE 79 -1.370 -7.566 -1.572 533 HD11 ILE 79 HD11 ILE 79 -4.262 -6.364 1.406 534 HD12 ILE 79 HD12 ILE 79 -3.195 -5.197 0.624 535 HD13 ILE 79 HD13 ILE 79 -3.416 -5.157 2.373 536 H LYS 80 HN LYS 80 -1.934 -10.710 0.316 537 HA LYS 80 HA LYS 80 -1.370 -11.203 -2.372 538 HB2 LYS 80 HB2 LYS 80 -1.697 -13.110 -0.059 539 HB3 LYS 80 HB1 LYS 80 -1.132 -13.612 -1.647 540 HG2 LYS 80 HG2 LYS 80 0.722 -11.983 -1.424 541 HG3 LYS 80 HG1 LYS 80 0.198 -11.683 0.234 542 HD2 LYS 80 HD2 LYS 80 0.577 -13.987 0.823 543 HD3 LYS 80 HD1 LYS 80 0.953 -14.393 -0.852 544 HE2 LYS 80 HE2 LYS 80 2.910 -12.923 -0.760 545 HE3 LYS 80 HE1 LYS 80 2.534 -12.532 0.918 546 HZ1 LYS 80 HZ1 LYS 80 2.826 -14.863 1.483 547 HZ2 LYS 80 HZ2 LYS 80 4.227 -14.238 0.775 548 HZ3 LYS 80 HZ3 LYS 80 3.199 -15.232 -0.124 549 H ARG 81 HN ARG 81 -4.092 -12.246 -0.403 550 HA ARG 81 HA ARG 81 -5.323 -13.839 -2.392 551 HB2 ARG 81 HB2 ARG 81 -5.864 -14.029 -0.002 552 HB3 ARG 81 HB1 ARG 81 -6.574 -12.423 -0.033 553 HG2 ARG 81 HG2 ARG 81 -8.313 -14.078 -0.089 554 HG3 ARG 81 HG1 ARG 81 -8.268 -13.226 -1.627 555 HD2 ARG 81 HD2 ARG 81 -6.761 -15.789 -1.299 556 HD3 ARG 81 HD1 ARG 81 -8.500 -15.822 -1.586 557 HE ARG 81 HE ARG 81 -7.861 -14.336 -3.601 558 HH11 ARG 81 HH11 ARG 81 -5.932 -16.979 -2.344 559 HH12 ARG 81 HH12 ARG 81 -5.229 -17.368 -3.880 560 HH21 ARG 81 HH21 ARG 81 -6.946 -14.849 -5.632 561 HH22 ARG 81 HH22 ARG 81 -5.805 -16.155 -5.754 562 H ILE 82 HN ILE 82 -5.857 -10.477 -1.379 563 HA ILE 82 HA ILE 82 -7.995 -9.943 -3.118 564 HB ILE 82 HB ILE 82 -5.965 -8.022 -1.967 565 HG12 ILE 82 HG12 ILE 82 -8.756 -8.693 -1.007 566 HG13 ILE 82 HG11 ILE 82 -7.291 -9.397 -0.331 567 HG21 ILE 82 HG21 ILE 82 -7.124 -7.036 -3.870 568 HG22 ILE 82 HG22 ILE 82 -7.656 -6.289 -2.364 569 HG23 ILE 82 HG23 ILE 82 -8.681 -7.479 -3.167 570 HD11 ILE 82 HD11 ILE 82 -8.055 -6.487 -0.299 571 HD12 ILE 82 HD12 ILE 82 -6.545 -7.151 0.325 572 HD13 ILE 82 HD13 ILE 82 -8.081 -7.601 1.067 573 H LEU 83 HN LEU 83 -4.498 -9.695 -3.574 574 HA LEU 83 HA LEU 83 -4.730 -8.469 -6.164 575 HB2 LEU 83 HB2 LEU 83 -2.418 -9.755 -4.722 576 HB3 LEU 83 HB1 LEU 83 -2.277 -9.043 -6.318 577 HG LEU 83 HG LEU 83 -3.088 -7.553 -3.821 578 HD11 LEU 83 HD11 LEU 83 -0.491 -7.567 -5.353 579 HD12 LEU 83 HD12 LEU 83 -0.757 -8.238 -3.743 580 HD13 LEU 83 HD13 LEU 83 -0.885 -6.499 -4.006 581 HD21 LEU 83 HD21 LEU 83 -2.533 -6.617 -6.634 582 HD22 LEU 83 HD22 LEU 83 -2.759 -5.560 -5.241 583 HD23 LEU 83 HD23 LEU 83 -4.084 -6.582 -5.795 584 H SER 84 HN SER 84 -4.687 -11.685 -4.934 585 HA SER 84 HA SER 84 -4.712 -13.745 -5.858 586 HB2 SER 84 HB2 SER 84 -6.256 -12.143 -7.881 587 HB3 SER 84 HB1 SER 84 -6.187 -13.906 -7.892 588 HG SER 84 HG SER 84 -6.880 -12.579 -5.512 Start of MODEL 20 1 H1 LYS 15 HT1 LYS 15 28.673 6.363 4.742 2 H2 LYS 15 HT2 LYS 15 29.128 5.066 5.722 3 H3 LYS 15 HT3 LYS 15 28.962 6.611 6.389 4 HA LYS 15 HA LYS 15 27.090 5.220 6.963 5 HB2 LYS 15 HB2 LYS 15 25.326 6.739 6.285 6 HB3 LYS 15 HB1 LYS 15 26.775 7.667 6.639 7 HG2 LYS 15 HG2 LYS 15 27.226 7.965 4.305 8 HG3 LYS 15 HG1 LYS 15 25.909 6.878 3.868 9 HD2 LYS 15 HD2 LYS 15 24.321 8.454 4.947 10 HD3 LYS 15 HD1 LYS 15 25.668 9.557 5.231 11 HE2 LYS 15 HE2 LYS 15 26.054 9.760 2.853 12 HE3 LYS 15 HE1 LYS 15 24.809 8.559 2.518 13 HZ1 LYS 15 HZ1 LYS 15 23.156 10.058 3.439 14 HZ2 LYS 15 HZ2 LYS 15 24.000 10.805 2.171 15 HZ3 LYS 15 HZ3 LYS 15 24.355 11.211 3.773 16 HA PRO 16 HA PRO 16 25.781 2.395 3.806 17 HB2 PRO 16 HB2 PRO 16 23.702 1.251 5.025 18 HB3 PRO 16 HB1 PRO 16 25.343 1.052 5.654 19 HG2 PRO 16 HG2 PRO 16 23.154 2.855 6.600 20 HG3 PRO 16 HG1 PRO 16 24.314 1.908 7.546 21 HD2 PRO 16 HD2 PRO 16 24.551 4.611 6.982 22 HD3 PRO 16 HD1 PRO 16 25.892 3.551 7.454 23 H GLU 17 HN GLU 17 24.735 5.200 3.766 24 HA GLU 17 HA GLU 17 22.128 4.694 2.512 25 HB2 GLU 17 HB2 GLU 17 22.049 6.211 4.468 26 HB3 GLU 17 HB1 GLU 17 23.178 7.288 3.661 27 HG2 GLU 17 HG2 GLU 17 21.512 7.581 1.845 28 HG3 GLU 17 HG1 GLU 17 20.376 6.622 2.794 29 H VAL 18 HN VAL 18 23.703 3.971 0.778 30 HA VAL 18 HA VAL 18 24.642 6.206 -0.862 31 HB VAL 18 HB VAL 18 24.835 3.242 -1.441 32 HG11 VAL 18 HG11 VAL 18 26.577 3.903 -3.023 33 HG12 VAL 18 HG12 VAL 18 26.300 5.597 -2.622 34 HG13 VAL 18 HG13 VAL 18 25.033 4.662 -3.412 35 HG21 VAL 18 HG21 VAL 18 26.896 5.059 -0.201 36 HG22 VAL 18 HG22 VAL 18 27.149 3.380 -0.673 37 HG23 VAL 18 HG23 VAL 18 26.020 3.771 0.624 38 H GLU 19 HN GLU 19 22.427 3.513 -0.848 39 HA GLU 19 HA GLU 19 20.804 4.857 -2.900 40 HB2 GLU 19 HB2 GLU 19 21.167 1.886 -2.443 41 HB3 GLU 19 HB1 GLU 19 20.033 2.597 -3.584 42 HG2 GLU 19 HG2 GLU 19 21.816 3.476 -4.908 43 HG3 GLU 19 HG1 GLU 19 23.009 3.009 -3.699 44 H HIS 20 HN HIS 20 18.949 5.557 -2.038 45 HA HIS 20 HA HIS 20 18.220 4.566 0.581 46 HB2 HIS 20 HB2 HIS 20 16.494 6.435 0.501 47 HB3 HIS 20 HB1 HIS 20 18.185 6.902 0.541 48 HD1 HIS 20 HD1 HIS 20 18.900 8.537 -1.170 49 HD2 HIS 20 HD2 HIS 20 15.349 6.658 -2.225 50 HE1 HIS 20 HE1 HIS 20 18.089 9.730 -3.227 51 HE2 HIS 20 HE2 HIS 20 16.052 8.444 -3.953 52 H THR 21 HN THR 21 17.603 2.478 -0.188 53 HA THR 21 HA THR 21 15.267 2.108 -1.775 54 HB THR 21 HB THR 21 15.323 -0.219 -0.707 55 HG1 THR 21 HG1 THR 21 16.658 -0.488 0.905 56 HG21 THR 21 HG21 THR 21 16.314 0.231 -2.889 57 HG22 THR 21 HG22 THR 21 17.316 -0.898 -1.977 58 HG23 THR 21 HG23 THR 21 17.795 0.794 -2.115 59 H HIS 22 HN HIS 22 15.919 2.633 1.596 60 HA HIS 22 HA HIS 22 13.406 1.849 2.641 61 HB2 HIS 22 HB2 HIS 22 15.478 3.787 3.680 62 HB3 HIS 22 HB1 HIS 22 14.041 3.334 4.580 63 HD1 HIS 22 HD1 HIS 22 15.333 2.210 6.473 64 HD2 HIS 22 HD2 HIS 22 16.150 0.603 2.729 65 HE1 HIS 22 HE1 HIS 22 16.656 0.116 6.907 66 HE2 HIS 22 HE2 HIS 22 17.275 -0.744 4.622 67 H SER 23 HN SER 23 14.654 4.873 1.338 68 HA SER 23 HA SER 23 12.414 6.462 1.992 69 HB2 SER 23 HB2 SER 23 14.347 6.842 -0.303 70 HB3 SER 23 HB1 SER 23 13.331 8.079 0.439 71 HG SER 23 HG SER 23 14.596 8.106 2.185 72 H GLU 24 HN GLU 24 13.197 4.412 -0.771 73 HA GLU 24 HA GLU 24 11.037 5.174 -2.413 74 HB2 GLU 24 HB2 GLU 24 12.982 3.833 -3.194 75 HB3 GLU 24 HB1 GLU 24 12.383 2.469 -2.260 76 HG2 GLU 24 HG2 GLU 24 11.786 2.177 -4.561 77 HG3 GLU 24 HG1 GLU 24 10.326 2.479 -3.622 78 H ARG 25 HN ARG 25 11.376 2.673 0.082 79 HA ARG 25 HA ARG 25 8.728 1.723 -0.105 80 HB2 ARG 25 HB2 ARG 25 10.042 0.247 1.068 81 HB3 ARG 25 HB1 ARG 25 10.936 1.523 1.884 82 HG2 ARG 25 HG2 ARG 25 9.259 1.844 3.467 83 HG3 ARG 25 HG1 ARG 25 8.063 0.968 2.512 84 HD2 ARG 25 HD2 ARG 25 10.525 -0.343 3.632 85 HD3 ARG 25 HD1 ARG 25 9.014 -0.236 4.536 86 HE ARG 25 HE ARG 25 8.501 -1.317 1.982 87 HH11 ARG 25 HH11 ARG 25 10.030 -2.166 5.023 88 HH12 ARG 25 HH12 ARG 25 9.732 -3.865 4.843 89 HH21 ARG 25 HH21 ARG 25 8.102 -3.545 1.745 90 HH22 ARG 25 HH22 ARG 25 8.648 -4.657 2.972 91 H GLU 26 HN GLU 26 10.268 4.201 1.898 92 HA GLU 26 HA GLU 26 8.110 4.847 3.521 93 HB2 GLU 26 HB2 GLU 26 10.388 5.612 3.937 94 HB3 GLU 26 HB1 GLU 26 10.338 6.610 2.492 95 HG2 GLU 26 HG2 GLU 26 8.683 8.030 3.458 96 HG3 GLU 26 HG1 GLU 26 8.525 6.975 4.859 97 H LYS 27 HN LYS 27 9.021 6.193 0.343 98 HA LYS 27 HA LYS 27 6.836 8.016 0.293 99 HB2 LYS 27 HB2 LYS 27 7.379 8.322 -2.095 100 HB3 LYS 27 HB1 LYS 27 8.786 8.480 -1.056 101 HG2 LYS 27 HG2 LYS 27 9.394 6.143 -1.628 102 HG3 LYS 27 HG1 LYS 27 8.058 6.124 -2.775 103 HD2 LYS 27 HD2 LYS 27 10.194 8.230 -2.888 104 HD3 LYS 27 HD1 LYS 27 10.402 6.660 -3.665 105 HE2 LYS 27 HE2 LYS 27 8.142 8.586 -4.186 106 HE3 LYS 27 HE1 LYS 27 9.553 8.364 -5.218 107 HZ1 LYS 27 HZ1 LYS 27 7.865 7.065 -6.155 108 HZ2 LYS 27 HZ2 LYS 27 7.374 6.445 -4.666 109 HZ3 LYS 27 HZ3 LYS 27 8.849 5.951 -5.338 110 H ARG 28 HN ARG 28 7.314 4.742 -1.013 111 HA ARG 28 HA ARG 28 4.903 4.546 -2.427 112 HB2 ARG 28 HB2 ARG 28 6.563 2.463 -1.023 113 HB3 ARG 28 HB1 ARG 28 5.098 2.051 -1.896 114 HG2 ARG 28 HG2 ARG 28 6.095 3.075 -3.928 115 HG3 ARG 28 HG1 ARG 28 7.593 3.293 -3.022 116 HD2 ARG 28 HD2 ARG 28 6.220 0.688 -3.666 117 HD3 ARG 28 HD1 ARG 28 7.735 1.279 -4.342 118 HE ARG 28 HE ARG 28 7.443 0.672 -1.467 119 HH11 ARG 28 HH11 ARG 28 9.171 0.287 -4.505 120 HH12 ARG 28 HH12 ARG 28 10.464 -0.616 -3.784 121 HH21 ARG 28 HH21 ARG 28 9.112 -0.534 -0.549 122 HH22 ARG 28 HH22 ARG 28 10.445 -1.068 -1.534 123 H VAL 29 HN VAL 29 5.637 3.683 0.938 124 HA VAL 29 HA VAL 29 3.014 2.939 1.636 125 HB VAL 29 HB VAL 29 5.232 4.010 3.394 126 HG11 VAL 29 HG11 VAL 29 4.009 2.991 5.259 127 HG12 VAL 29 HG12 VAL 29 2.692 2.575 4.164 128 HG13 VAL 29 HG13 VAL 29 3.067 4.266 4.487 129 HG21 VAL 29 HG21 VAL 29 5.835 1.961 2.231 130 HG22 VAL 29 HG22 VAL 29 4.350 1.188 2.790 131 HG23 VAL 29 HG23 VAL 29 5.598 1.647 3.950 132 H SER 30 HN SER 30 4.741 6.038 1.892 133 HA SER 30 HA SER 30 2.723 7.489 3.165 134 HB2 SER 30 HB2 SER 30 5.071 8.273 2.830 135 HB3 SER 30 HB1 SER 30 4.702 8.548 1.129 136 HG SER 30 HG SER 30 3.430 10.216 1.645 137 H ASN 31 HN ASN 31 3.333 6.987 -0.300 138 HA ASN 31 HA ASN 31 1.248 8.601 -1.278 139 HB2 ASN 31 HB2 ASN 31 2.640 6.183 -2.439 140 HB3 ASN 31 HB1 ASN 31 1.439 7.108 -3.328 141 HD21 ASN 31 HD21 ASN 31 4.316 6.646 -3.801 142 HD22 ASN 31 HD22 ASN 31 5.006 8.224 -3.949 143 H ALA 32 HN ALA 32 1.349 5.234 -0.290 144 HA ALA 32 HA ALA 32 -1.308 4.618 -1.120 145 HB1 ALA 32 HB1 ALA 32 0.481 3.206 0.845 146 HB2 ALA 32 HB2 ALA 32 0.376 2.883 -0.885 147 HB3 ALA 32 HB3 ALA 32 -1.008 2.559 0.157 148 H VAL 33 HN VAL 33 0.166 5.495 1.974 149 HA VAL 33 HA VAL 33 -2.135 5.216 3.552 150 HB VAL 33 HB VAL 33 0.263 7.030 3.909 151 HG11 VAL 33 HG11 VAL 33 -1.651 7.889 5.195 152 HG12 VAL 33 HG12 VAL 33 -0.379 7.255 6.243 153 HG13 VAL 33 HG13 VAL 33 -1.834 6.305 5.953 154 HG21 VAL 33 HG21 VAL 33 0.977 5.330 5.523 155 HG22 VAL 33 HG22 VAL 33 0.786 4.655 3.903 156 HG23 VAL 33 HG23 VAL 33 -0.448 4.369 5.131 157 H GLU 34 HN GLU 34 -0.886 8.007 1.739 158 HA GLU 34 HA GLU 34 -2.940 9.767 2.612 159 HB2 GLU 34 HB2 GLU 34 -2.070 11.338 1.068 160 HB3 GLU 34 HB1 GLU 34 -0.697 10.439 1.692 161 HG2 GLU 34 HG2 GLU 34 -0.622 9.110 -0.333 162 HG3 GLU 34 HG1 GLU 34 -2.013 9.988 -0.969 163 H PHE 35 HN PHE 35 -2.611 7.578 -0.117 164 HA PHE 35 HA PHE 35 -4.928 8.496 -1.506 165 HB2 PHE 35 HB2 PHE 35 -3.126 7.306 -2.662 166 HB3 PHE 35 HB1 PHE 35 -3.437 5.868 -1.698 167 HD1 PHE 35 HD1 PHE 35 -4.913 8.119 -4.236 168 HD2 PHE 35 HD2 PHE 35 -5.054 4.305 -2.356 169 HE1 PHE 35 HE1 PHE 35 -6.526 7.349 -5.927 170 HE2 PHE 35 HE2 PHE 35 -6.667 3.528 -4.041 171 HZ PHE 35 HZ PHE 35 -7.405 5.051 -5.830 172 H LEU 36 HN LEU 36 -4.273 5.817 0.717 173 HA LEU 36 HA LEU 36 -6.860 4.693 0.623 174 HB2 LEU 36 HB2 LEU 36 -4.688 4.577 2.695 175 HB3 LEU 36 HB1 LEU 36 -6.168 3.649 2.813 176 HG LEU 36 HG LEU 36 -4.145 3.422 0.583 177 HD11 LEU 36 HD11 LEU 36 -3.254 2.603 2.693 178 HD12 LEU 36 HD12 LEU 36 -3.586 1.269 1.589 179 HD13 LEU 36 HD13 LEU 36 -4.690 1.604 2.924 180 HD21 LEU 36 HD21 LEU 36 -6.386 2.875 -0.160 181 HD22 LEU 36 HD22 LEU 36 -6.607 1.804 1.223 182 HD23 LEU 36 HD23 LEU 36 -5.420 1.408 -0.019 183 H LEU 37 HN LEU 37 -5.490 7.332 2.422 184 HA LEU 37 HA LEU 37 -7.757 7.536 4.208 185 HB2 LEU 37 HB2 LEU 37 -5.137 8.888 3.913 186 HB3 LEU 37 HB1 LEU 37 -6.430 9.821 4.643 187 HG LEU 37 HG LEU 37 -5.508 7.126 5.643 188 HD11 LEU 37 HD11 LEU 37 -3.753 8.789 5.925 189 HD12 LEU 37 HD12 LEU 37 -4.483 8.388 7.478 190 HD13 LEU 37 HD13 LEU 37 -4.904 9.898 6.669 191 HD21 LEU 37 HD21 LEU 37 -6.844 7.728 7.612 192 HD22 LEU 37 HD22 LEU 37 -7.830 7.626 6.153 193 HD23 LEU 37 HD23 LEU 37 -7.367 9.199 6.794 194 H ASP 38 HN ASP 38 -7.586 8.134 1.084 195 HA ASP 38 HA ASP 38 -8.501 10.851 1.013 196 HB2 ASP 38 HB2 ASP 38 -7.220 9.645 -0.849 197 HB3 ASP 38 HB1 ASP 38 -8.748 8.870 -1.242 198 H SER 39 HN SER 39 -10.538 11.602 0.779 199 HA SER 39 HA SER 39 -12.651 10.172 1.903 200 HB2 SER 39 HB2 SER 39 -12.433 12.673 1.737 201 HB3 SER 39 HB1 SER 39 -12.887 12.550 0.040 202 HG SER 39 HG SER 39 -14.885 11.714 0.671 203 H ARG 40 HN ARG 40 -11.716 10.561 -1.484 204 HA ARG 40 HA ARG 40 -14.090 9.392 -2.547 205 HB2 ARG 40 HB2 ARG 40 -11.332 9.762 -3.716 206 HB3 ARG 40 HB1 ARG 40 -12.689 9.107 -4.622 207 HG2 ARG 40 HG2 ARG 40 -12.588 11.840 -3.359 208 HG3 ARG 40 HG1 ARG 40 -12.345 11.485 -5.071 209 HD2 ARG 40 HD2 ARG 40 -14.614 10.572 -5.198 210 HD3 ARG 40 HD1 ARG 40 -14.855 10.933 -3.492 211 HE ARG 40 HE ARG 40 -14.113 13.279 -4.870 212 HH11 ARG 40 HH11 ARG 40 -16.795 11.073 -4.489 213 HH12 ARG 40 HH12 ARG 40 -17.999 12.263 -4.861 214 HH21 ARG 40 HH21 ARG 40 -15.700 14.863 -5.348 215 HH22 ARG 40 HH22 ARG 40 -17.380 14.419 -5.349 216 H VAL 41 HN VAL 41 -10.996 8.142 -1.505 217 HA VAL 41 HA VAL 41 -11.419 5.538 -2.649 218 HB VAL 41 HB VAL 41 -9.283 6.483 -0.735 219 HG11 VAL 41 HG11 VAL 41 -8.012 4.539 -1.525 220 HG12 VAL 41 HG12 VAL 41 -9.403 4.023 -2.479 221 HG13 VAL 41 HG13 VAL 41 -9.504 4.056 -0.718 222 HG21 VAL 41 HG21 VAL 41 -9.228 6.213 -3.737 223 HG22 VAL 41 HG22 VAL 41 -7.892 6.733 -2.709 224 HG23 VAL 41 HG23 VAL 41 -9.340 7.731 -2.849 225 H ARG 42 HN ARG 42 -11.913 7.040 0.467 226 HA ARG 42 HA ARG 42 -12.123 4.685 2.000 227 HB2 ARG 42 HB2 ARG 42 -13.148 6.011 3.694 228 HB3 ARG 42 HB1 ARG 42 -11.940 7.016 2.915 229 HG2 ARG 42 HG2 ARG 42 -13.678 8.142 1.643 230 HG3 ARG 42 HG1 ARG 42 -14.902 7.114 2.394 231 HD2 ARG 42 HD2 ARG 42 -14.271 7.995 4.596 232 HD3 ARG 42 HD1 ARG 42 -13.074 9.037 3.826 233 HE ARG 42 HE ARG 42 -15.616 9.503 2.690 234 HH11 ARG 42 HH11 ARG 42 -13.799 10.064 5.627 235 HH12 ARG 42 HH12 ARG 42 -14.683 11.493 6.054 236 HH21 ARG 42 HH21 ARG 42 -16.794 11.382 3.261 237 HH22 ARG 42 HH22 ARG 42 -16.387 12.240 4.716 238 H ARG 43 HN ARG 43 -14.220 6.070 -0.333 239 HA ARG 43 HA ARG 43 -16.562 4.641 0.605 240 HB2 ARG 43 HB2 ARG 43 -16.029 6.598 -1.591 241 HB3 ARG 43 HB1 ARG 43 -17.483 5.611 -1.639 242 HG2 ARG 43 HG2 ARG 43 -16.716 7.372 0.679 243 HG3 ARG 43 HG1 ARG 43 -17.800 7.857 -0.627 244 HD2 ARG 43 HD2 ARG 43 -18.220 5.537 1.257 245 HD3 ARG 43 HD1 ARG 43 -19.059 7.085 1.320 246 HE ARG 43 HE ARG 43 -19.812 6.427 -1.043 247 HH11 ARG 43 HH11 ARG 43 -19.303 4.159 1.580 248 HH12 ARG 43 HH12 ARG 43 -20.452 3.009 0.973 249 HH21 ARG 43 HH21 ARG 43 -21.312 4.897 -1.847 250 HH22 ARG 43 HH22 ARG 43 -21.582 3.422 -0.974 251 H THR 44 HN THR 44 -13.942 4.037 -1.524 252 HA THR 44 HA THR 44 -15.415 2.128 -3.130 253 HB THR 44 HB THR 44 -13.003 1.610 -3.959 254 HG1 THR 44 HG1 THR 44 -12.296 3.130 -2.054 255 HG21 THR 44 HG21 THR 44 -14.303 4.281 -4.474 256 HG22 THR 44 HG22 THR 44 -14.673 2.766 -5.297 257 HG23 THR 44 HG23 THR 44 -13.091 3.517 -5.503 258 HA PRO 45 HA PRO 45 -14.582 -1.513 -0.730 259 HB2 PRO 45 HB2 PRO 45 -13.962 -3.324 -2.685 260 HB3 PRO 45 HB1 PRO 45 -15.611 -2.803 -2.321 261 HG2 PRO 45 HG2 PRO 45 -13.755 -1.854 -4.472 262 HG3 PRO 45 HG1 PRO 45 -15.485 -2.233 -4.573 263 HD2 PRO 45 HD2 PRO 45 -14.609 0.297 -4.402 264 HD3 PRO 45 HD1 PRO 45 -16.110 -0.221 -3.606 265 H THR 46 HN THR 46 -12.903 -2.988 -0.094 266 HA THR 46 HA THR 46 -10.368 -1.817 0.097 267 HB THR 46 HB THR 46 -10.711 -4.772 0.358 268 HG1 THR 46 HG1 THR 46 -12.052 -4.576 2.031 269 HG21 THR 46 HG21 THR 46 -8.565 -3.566 0.877 270 HG22 THR 46 HG22 THR 46 -9.221 -4.536 2.192 271 HG23 THR 46 HG23 THR 46 -9.416 -2.783 2.212 272 H SER 47 HN SER 47 -11.619 -4.355 -2.003 273 HA SER 47 HA SER 47 -9.211 -5.271 -3.050 274 HB2 SER 47 HB2 SER 47 -11.850 -5.177 -4.513 275 HB3 SER 47 HB1 SER 47 -10.532 -6.326 -4.748 276 HG SER 47 HG SER 47 -11.937 -7.377 -3.454 277 H SER 48 HN SER 48 -11.304 -2.632 -4.159 278 HA SER 48 HA SER 48 -9.885 -2.021 -6.495 279 HB2 SER 48 HB2 SER 48 -11.613 -0.344 -4.677 280 HB3 SER 48 HB1 SER 48 -10.976 0.222 -6.212 281 HG SER 48 HG SER 48 -12.026 -1.734 -7.111 282 H LYS 49 HN LYS 49 -9.576 -0.875 -3.169 283 HA LYS 49 HA LYS 49 -7.635 1.104 -3.578 284 HB2 LYS 49 HB2 LYS 49 -7.849 -0.692 -1.162 285 HB3 LYS 49 HB1 LYS 49 -7.175 0.929 -1.220 286 HG2 LYS 49 HG2 LYS 49 -9.367 1.856 -1.640 287 HG3 LYS 49 HG1 LYS 49 -10.066 0.235 -1.681 288 HD2 LYS 49 HD2 LYS 49 -9.174 -0.058 0.673 289 HD3 LYS 49 HD1 LYS 49 -8.849 1.676 0.665 290 HE2 LYS 49 HE2 LYS 49 -11.212 2.118 0.231 291 HE3 LYS 49 HE1 LYS 49 -11.532 0.382 0.216 292 HZ1 LYS 49 HZ1 LYS 49 -10.819 0.278 2.525 293 HZ2 LYS 49 HZ2 LYS 49 -12.105 1.356 2.346 294 HZ3 LYS 49 HZ3 LYS 49 -10.535 1.939 2.535 295 H VAL 50 HN VAL 50 -7.333 -2.335 -2.784 296 HA VAL 50 HA VAL 50 -4.501 -2.349 -2.624 297 HB VAL 50 HB VAL 50 -6.352 -4.668 -3.213 298 HG11 VAL 50 HG11 VAL 50 -3.513 -4.635 -2.197 299 HG12 VAL 50 HG12 VAL 50 -4.042 -5.176 -3.789 300 HG13 VAL 50 HG13 VAL 50 -4.532 -6.065 -2.347 301 HG21 VAL 50 HG21 VAL 50 -6.928 -3.550 -1.126 302 HG22 VAL 50 HG22 VAL 50 -5.251 -3.664 -0.590 303 HG23 VAL 50 HG23 VAL 50 -6.208 -5.128 -0.812 304 H HIS 51 HN HIS 51 -6.747 -3.120 -5.253 305 HA HIS 51 HA HIS 51 -4.815 -4.015 -7.103 306 HB2 HIS 51 HB2 HIS 51 -7.551 -2.804 -7.504 307 HB3 HIS 51 HB1 HIS 51 -6.565 -3.393 -8.836 308 HD1 HIS 51 HD1 HIS 51 -8.858 -4.926 -9.026 309 HD2 HIS 51 HD2 HIS 51 -6.192 -5.809 -5.959 310 HE1 HIS 51 HE1 HIS 51 -9.425 -7.258 -8.286 311 HE2 HIS 51 HE2 HIS 51 -7.808 -7.778 -6.425 312 H PHE 52 HN PHE 52 -6.107 -0.817 -6.382 313 HA PHE 52 HA PHE 52 -4.903 0.557 -8.530 314 HB2 PHE 52 HB2 PHE 52 -6.749 1.448 -7.100 315 HB3 PHE 52 HB1 PHE 52 -5.592 1.643 -5.790 316 HD1 PHE 52 HD1 PHE 52 -3.646 3.227 -6.136 317 HD2 PHE 52 HD2 PHE 52 -7.014 3.091 -8.730 318 HE1 PHE 52 HE1 PHE 52 -3.092 5.473 -6.966 319 HE2 PHE 52 HE2 PHE 52 -6.463 5.336 -9.567 320 HZ PHE 52 HZ PHE 52 -4.500 6.530 -8.686 321 H LEU 53 HN LEU 53 -3.879 0.144 -5.150 322 HA LEU 53 HA LEU 53 -1.507 1.623 -5.339 323 HB2 LEU 53 HB2 LEU 53 -2.173 -0.691 -3.519 324 HB3 LEU 53 HB1 LEU 53 -0.822 0.405 -3.299 325 HG LEU 53 HG LEU 53 -3.740 1.177 -3.207 326 HD11 LEU 53 HD11 LEU 53 -3.105 -0.126 -1.274 327 HD12 LEU 53 HD12 LEU 53 -3.302 1.567 -0.820 328 HD13 LEU 53 HD13 LEU 53 -1.686 0.889 -1.022 329 HD21 LEU 53 HD21 LEU 53 -2.894 3.347 -2.411 330 HD22 LEU 53 HD22 LEU 53 -2.387 2.995 -4.063 331 HD23 LEU 53 HD23 LEU 53 -1.246 2.805 -2.730 332 H LYS 54 HN LYS 54 -2.152 -1.805 -5.913 333 HA LYS 54 HA LYS 54 0.498 -2.625 -6.340 334 HB2 LYS 54 HB2 LYS 54 -1.382 -4.186 -6.070 335 HB3 LYS 54 HB1 LYS 54 -2.051 -3.656 -7.604 336 HG2 LYS 54 HG2 LYS 54 0.711 -4.738 -7.550 337 HG3 LYS 54 HG1 LYS 54 -0.639 -5.859 -7.408 338 HD2 LYS 54 HD2 LYS 54 -0.262 -3.866 -9.644 339 HD3 LYS 54 HD1 LYS 54 0.160 -5.576 -9.737 340 HE2 LYS 54 HE2 LYS 54 -2.208 -6.134 -9.279 341 HE3 LYS 54 HE1 LYS 54 -2.592 -4.416 -9.320 342 HZ1 LYS 54 HZ1 LYS 54 -3.051 -5.532 -11.432 343 HZ2 LYS 54 HZ2 LYS 54 -1.418 -5.944 -11.575 344 HZ3 LYS 54 HZ3 LYS 54 -1.884 -4.321 -11.605 345 H SER 55 HN SER 55 -1.934 -1.338 -8.545 346 HA SER 55 HA SER 55 -0.434 -1.497 -10.911 347 HB2 SER 55 HB2 SER 55 -2.629 0.463 -10.216 348 HB3 SER 55 HB1 SER 55 -2.117 -0.014 -11.830 349 HG SER 55 HG SER 55 -3.553 -1.477 -9.907 350 H LYS 56 HN LYS 56 -0.240 0.650 -8.245 351 HA LYS 56 HA LYS 56 1.076 2.759 -9.721 352 HB2 LYS 56 HB2 LYS 56 0.206 2.345 -6.904 353 HB3 LYS 56 HB1 LYS 56 1.484 3.509 -7.213 354 HG2 LYS 56 HG2 LYS 56 -1.190 3.561 -8.589 355 HG3 LYS 56 HG1 LYS 56 -0.812 4.475 -7.126 356 HD2 LYS 56 HD2 LYS 56 1.013 5.605 -8.317 357 HD3 LYS 56 HD1 LYS 56 0.606 4.708 -9.779 358 HE2 LYS 56 HE2 LYS 56 -1.343 6.496 -8.353 359 HE3 LYS 56 HE1 LYS 56 -0.282 7.069 -9.635 360 HZ1 LYS 56 HZ1 LYS 56 -2.240 4.859 -9.939 361 HZ2 LYS 56 HZ2 LYS 56 -1.305 5.559 -11.162 362 HZ3 LYS 56 HZ3 LYS 56 -2.520 6.458 -10.408 363 H GLY 57 HN GLY 57 2.024 -0.207 -8.701 364 HA2 GLY 57 HA2 GLY 57 4.218 -0.996 -9.094 365 HA3 GLY 57 HA1 GLY 57 4.826 0.630 -8.824 366 H LEU 58 HN LEU 58 2.555 -0.311 -6.493 367 HA LEU 58 HA LEU 58 4.623 -0.507 -4.493 368 HB2 LEU 58 HB2 LEU 58 1.670 -0.291 -4.467 369 HB3 LEU 58 HB1 LEU 58 2.417 -1.084 -3.095 370 HG LEU 58 HG LEU 58 3.884 1.003 -2.904 371 HD11 LEU 58 HD11 LEU 58 2.881 3.061 -3.781 372 HD12 LEU 58 HD12 LEU 58 1.718 2.090 -4.684 373 HD13 LEU 58 HD13 LEU 58 3.439 1.982 -5.060 374 HD21 LEU 58 HD21 LEU 58 2.128 0.406 -1.342 375 HD22 LEU 58 HD22 LEU 58 0.932 1.192 -2.375 376 HD23 LEU 58 HD23 LEU 58 2.192 2.150 -1.598 377 H SER 59 HN SER 59 4.928 -2.237 -3.080 378 HA SER 59 HA SER 59 4.314 -4.842 -4.239 379 HB2 SER 59 HB2 SER 59 6.122 -4.139 -1.916 380 HB3 SER 59 HB1 SER 59 6.041 -5.690 -2.750 381 HG SER 59 HG SER 59 7.522 -4.894 -3.999 382 H ALA 60 HN ALA 60 3.703 -6.589 -2.650 383 HA ALA 60 HA ALA 60 1.275 -5.944 -1.431 384 HB1 ALA 60 HB1 ALA 60 1.300 -8.204 -0.532 385 HB2 ALA 60 HB2 ALA 60 3.021 -8.343 -0.889 386 HB3 ALA 60 HB3 ALA 60 1.858 -8.195 -2.205 387 H GLU 61 HN GLU 61 4.506 -6.237 -0.067 388 HA GLU 61 HA GLU 61 3.783 -6.041 2.651 389 HB2 GLU 61 HB2 GLU 61 6.330 -5.419 1.170 390 HB3 GLU 61 HB1 GLU 61 6.194 -5.258 2.915 391 HG2 GLU 61 HG2 GLU 61 5.858 -7.563 3.210 392 HG3 GLU 61 HG1 GLU 61 5.544 -7.817 1.495 393 H GLU 62 HN GLU 62 4.584 -3.580 0.234 394 HA GLU 62 HA GLU 62 4.655 -1.380 2.002 395 HB2 GLU 62 HB2 GLU 62 3.691 -1.077 -0.818 396 HB3 GLU 62 HB1 GLU 62 4.712 -0.002 0.122 397 HG2 GLU 62 HG2 GLU 62 5.498 -2.614 -1.130 398 HG3 GLU 62 HG1 GLU 62 5.992 -1.004 -1.635 399 H ILE 63 HN ILE 63 2.116 -2.799 0.023 400 HA ILE 63 HA ILE 63 0.066 -0.965 0.604 401 HB ILE 63 HB ILE 63 -0.157 -3.889 -0.137 402 HG12 ILE 63 HG12 ILE 63 -0.270 -1.451 -1.923 403 HG13 ILE 63 HG11 ILE 63 1.161 -2.457 -1.717 404 HG21 ILE 63 HG21 ILE 63 -2.251 -3.089 0.746 405 HG22 ILE 63 HG22 ILE 63 -2.385 -3.255 -1.004 406 HG23 ILE 63 HG23 ILE 63 -2.178 -1.660 -0.284 407 HD11 ILE 63 HD11 ILE 63 -0.041 -3.008 -3.757 408 HD12 ILE 63 HD12 ILE 63 -1.486 -3.372 -2.815 409 HD13 ILE 63 HD13 ILE 63 -0.040 -4.364 -2.630 410 H CYS 64 HN CYS 64 0.949 -4.058 2.087 411 HA CYS 64 HA CYS 64 -1.141 -4.319 3.901 412 HB2 CYS 64 HB2 CYS 64 0.438 -6.115 3.416 413 HB3 CYS 64 HB1 CYS 64 1.743 -5.200 4.158 414 HG CYS 64 HG CYS 64 -0.960 -5.997 6.056 415 H GLU 65 HN GLU 65 1.984 -2.672 4.301 416 HA GLU 65 HA GLU 65 1.559 -1.979 7.008 417 HB2 GLU 65 HB2 GLU 65 3.797 -2.058 6.146 418 HB3 GLU 65 HB1 GLU 65 3.417 -0.874 4.902 419 HG2 GLU 65 HG2 GLU 65 3.157 0.840 6.528 420 HG3 GLU 65 HG1 GLU 65 3.332 -0.310 7.847 421 H ALA 66 HN ALA 66 1.182 -0.189 3.970 422 HA ALA 66 HA ALA 66 0.436 2.279 5.010 423 HB1 ALA 66 HB1 ALA 66 0.995 1.935 2.666 424 HB2 ALA 66 HB2 ALA 66 -0.578 2.719 2.830 425 HB3 ALA 66 HB3 ALA 66 -0.483 1.001 2.441 426 H PHE 67 HN PHE 67 -1.581 -0.521 4.203 427 HA PHE 67 HA PHE 67 -4.068 0.623 4.746 428 HB2 PHE 67 HB2 PHE 67 -2.995 -2.099 4.487 429 HB3 PHE 67 HB1 PHE 67 -4.415 -1.979 5.521 430 HD1 PHE 67 HD1 PHE 67 -3.139 -1.642 2.112 431 HD2 PHE 67 HD2 PHE 67 -6.542 -1.296 4.633 432 HE1 PHE 67 HE1 PHE 67 -4.600 -1.585 0.130 433 HE2 PHE 67 HE2 PHE 67 -8.007 -1.239 2.663 434 HZ PHE 67 HZ PHE 67 -7.040 -1.383 0.409 435 H THR 68 HN THR 68 -1.863 -1.132 6.907 436 HA THR 68 HA THR 68 -3.518 -0.968 9.181 437 HB THR 68 HB THR 68 -0.502 -1.134 9.188 438 HG1 THR 68 HG1 THR 68 -1.067 -2.843 7.944 439 HG21 THR 68 HG21 THR 68 -1.539 -0.742 11.374 440 HG22 THR 68 HG22 THR 68 -0.848 -2.364 11.281 441 HG23 THR 68 HG23 THR 68 -2.592 -2.138 11.128 442 H LYS 69 HN LYS 69 -1.177 1.197 7.769 443 HA LYS 69 HA LYS 69 -0.897 3.001 9.912 444 HB2 LYS 69 HB2 LYS 69 -0.557 3.306 6.935 445 HB3 LYS 69 HB1 LYS 69 -0.211 4.606 8.064 446 HG2 LYS 69 HG2 LYS 69 1.074 2.096 8.780 447 HG3 LYS 69 HG1 LYS 69 1.568 2.714 7.202 448 HD2 LYS 69 HD2 LYS 69 1.539 4.370 9.715 449 HD3 LYS 69 HD1 LYS 69 2.962 3.506 9.130 450 HE2 LYS 69 HE2 LYS 69 2.894 4.771 7.058 451 HE3 LYS 69 HE1 LYS 69 1.434 5.599 7.592 452 HZ1 LYS 69 HZ1 LYS 69 4.085 5.771 8.916 453 HZ2 LYS 69 HZ2 LYS 69 2.684 6.584 9.398 454 HZ3 LYS 69 HZ3 LYS 69 3.408 6.953 7.915 455 H VAL 70 HN VAL 70 -3.319 2.743 7.361 456 HA VAL 70 HA VAL 70 -4.425 5.343 8.054 457 HB VAL 70 HB VAL 70 -6.005 5.027 6.240 458 HG11 VAL 70 HG11 VAL 70 -3.248 4.200 5.354 459 HG12 VAL 70 HG12 VAL 70 -3.712 5.843 5.790 460 HG13 VAL 70 HG13 VAL 70 -4.460 5.058 4.408 461 HG21 VAL 70 HG21 VAL 70 -4.774 2.292 5.887 462 HG22 VAL 70 HG22 VAL 70 -5.958 3.041 4.814 463 HG23 VAL 70 HG23 VAL 70 -6.406 2.626 6.469 464 H GLY 71 HN GLY 71 -4.601 2.511 9.543 465 HA2 GLY 71 HA2 GLY 71 -6.020 2.076 11.363 466 HA3 GLY 71 HA1 GLY 71 -7.200 3.186 10.682 467 H GLN 72 HN GLN 72 -5.827 0.850 8.571 468 HA GLN 72 HA GLN 72 -8.149 -0.921 8.955 469 HB2 GLN 72 HB2 GLN 72 -8.394 0.458 6.905 470 HB3 GLN 72 HB1 GLN 72 -6.857 -0.162 6.324 471 HG2 GLN 72 HG2 GLN 72 -8.493 -1.397 5.201 472 HG3 GLN 72 HG1 GLN 72 -7.896 -2.467 6.467 473 HE21 GLN 72 HE21 GLN 72 -10.537 -0.548 5.340 474 HE22 GLN 72 HE22 GLN 72 -11.729 -1.189 6.415 475 HA PRO 73 HA PRO 73 -4.289 -3.294 9.485 476 HB2 PRO 73 HB2 PRO 73 -5.347 -5.177 11.143 477 HB3 PRO 73 HB1 PRO 73 -4.730 -3.618 11.700 478 HG2 PRO 73 HG2 PRO 73 -7.540 -4.491 11.244 479 HG3 PRO 73 HG1 PRO 73 -6.881 -3.440 12.507 480 HD2 PRO 73 HD2 PRO 73 -8.211 -2.522 10.301 481 HD3 PRO 73 HD1 PRO 73 -6.998 -1.576 11.182 482 H LYS 74 HN LYS 74 -4.041 -4.183 7.535 483 HA LYS 74 HA LYS 74 -5.639 -6.575 6.909 484 HB2 LYS 74 HB2 LYS 74 -4.197 -4.654 5.067 485 HB3 LYS 74 HB1 LYS 74 -4.869 -6.190 4.537 486 HG2 LYS 74 HG2 LYS 74 -6.485 -3.985 5.796 487 HG3 LYS 74 HG1 LYS 74 -6.302 -4.222 4.056 488 HD2 LYS 74 HD2 LYS 74 -7.345 -6.380 4.183 489 HD3 LYS 74 HD1 LYS 74 -7.380 -6.308 5.943 490 HE2 LYS 74 HE2 LYS 74 -8.890 -4.377 5.813 491 HE3 LYS 74 HE1 LYS 74 -8.878 -4.497 4.058 492 HZ1 LYS 74 HZ1 LYS 74 -10.834 -5.549 4.969 493 HZ2 LYS 74 HZ2 LYS 74 -9.890 -6.559 5.941 494 HZ3 LYS 74 HZ3 LYS 74 -9.842 -6.719 4.258 495 H THR 75 HN THR 75 -4.572 -8.470 6.606 496 HA THR 75 HA THR 75 -1.792 -8.537 7.385 497 HB THR 75 HB THR 75 -2.015 -10.995 7.160 498 HG1 THR 75 HG1 THR 75 -4.645 -11.231 6.910 499 HG21 THR 75 HG21 THR 75 -4.259 -9.689 8.703 500 HG22 THR 75 HG22 THR 75 -2.608 -9.921 9.276 501 HG23 THR 75 HG23 THR 75 -3.639 -11.318 8.968 502 H LEU 76 HN LEU 76 -0.189 -9.732 6.104 503 HA LEU 76 HA LEU 76 0.026 -8.777 3.469 504 HB2 LEU 76 HB2 LEU 76 1.953 -9.409 4.869 505 HB3 LEU 76 HB1 LEU 76 1.457 -11.087 4.791 506 HG LEU 76 HG LEU 76 1.849 -11.085 2.360 507 HD11 LEU 76 HD11 LEU 76 2.853 -8.282 2.830 508 HD12 LEU 76 HD12 LEU 76 1.412 -8.736 1.917 509 HD13 LEU 76 HD13 LEU 76 3.010 -9.196 1.330 510 HD21 LEU 76 HD21 LEU 76 4.282 -11.002 2.457 511 HD22 LEU 76 HD22 LEU 76 3.623 -11.780 3.896 512 HD23 LEU 76 HD23 LEU 76 4.202 -10.116 3.979 513 H ASN 77 HN ASN 77 -1.188 -11.713 4.865 514 HA ASN 77 HA ASN 77 -1.482 -13.283 2.558 515 HB2 ASN 77 HB2 ASN 77 -1.704 -14.115 4.884 516 HB3 ASN 77 HB1 ASN 77 -3.216 -13.235 5.040 517 HD21 ASN 77 HD21 ASN 77 -4.387 -15.087 5.443 518 HD22 ASN 77 HD22 ASN 77 -4.737 -16.254 4.214 519 H GLU 78 HN GLU 78 -3.677 -10.984 4.132 520 HA GLU 78 HA GLU 78 -5.879 -11.334 2.434 521 HB2 GLU 78 HB2 GLU 78 -4.967 -8.986 4.082 522 HB3 GLU 78 HB1 GLU 78 -6.432 -8.923 3.112 523 HG2 GLU 78 HG2 GLU 78 -7.376 -10.765 4.350 524 HG3 GLU 78 HG1 GLU 78 -5.885 -10.940 5.265 525 H ILE 79 HN ILE 79 -3.156 -9.075 2.211 526 HA ILE 79 HA ILE 79 -4.079 -7.637 -0.006 527 HB ILE 79 HB ILE 79 -1.202 -8.201 0.734 528 HG12 ILE 79 HG12 ILE 79 -2.361 -7.261 2.641 529 HG13 ILE 79 HG11 ILE 79 -1.335 -6.020 1.932 530 HG21 ILE 79 HG21 ILE 79 -2.404 -5.956 -0.879 531 HG22 ILE 79 HG22 ILE 79 -1.450 -7.294 -1.516 532 HG23 ILE 79 HG23 ILE 79 -0.705 -6.117 -0.436 533 HD11 ILE 79 HD11 ILE 79 -3.302 -5.055 0.825 534 HD12 ILE 79 HD12 ILE 79 -3.466 -5.090 2.581 535 HD13 ILE 79 HD13 ILE 79 -4.315 -6.279 1.593 536 H LYS 80 HN LYS 80 -1.970 -10.492 0.163 537 HA LYS 80 HA LYS 80 -1.600 -10.776 -2.620 538 HB2 LYS 80 HB2 LYS 80 -1.509 -12.861 -0.436 539 HB3 LYS 80 HB1 LYS 80 -0.913 -13.091 -2.076 540 HG2 LYS 80 HG2 LYS 80 0.642 -11.195 -1.701 541 HG3 LYS 80 HG1 LYS 80 0.119 -11.160 -0.020 542 HD2 LYS 80 HD2 LYS 80 0.953 -13.375 0.354 543 HD3 LYS 80 HD1 LYS 80 1.311 -13.580 -1.360 544 HE2 LYS 80 HE2 LYS 80 2.588 -11.485 0.383 545 HE3 LYS 80 HE1 LYS 80 3.297 -13.065 0.073 546 HZ1 LYS 80 HZ1 LYS 80 3.375 -12.550 -2.270 547 HZ2 LYS 80 HZ2 LYS 80 4.188 -11.356 -1.396 548 HZ3 LYS 80 HZ3 LYS 80 2.643 -11.052 -2.006 549 H ARG 81 HN ARG 81 -4.025 -12.026 -0.413 550 HA ARG 81 HA ARG 81 -5.350 -13.741 -2.236 551 HB2 ARG 81 HB2 ARG 81 -5.661 -13.881 0.194 552 HB3 ARG 81 HB1 ARG 81 -6.429 -12.302 0.194 553 HG2 ARG 81 HG2 ARG 81 -8.182 -13.843 0.326 554 HG3 ARG 81 HG1 ARG 81 -8.169 -13.306 -1.353 555 HD2 ARG 81 HD2 ARG 81 -6.794 -15.813 -0.415 556 HD3 ARG 81 HD1 ARG 81 -8.464 -15.788 -0.971 557 HE ARG 81 HE ARG 81 -7.252 -14.700 -3.064 558 HH11 ARG 81 HH11 ARG 81 -6.308 -17.465 -1.131 559 HH12 ARG 81 HH12 ARG 81 -5.560 -18.294 -2.456 560 HH21 ARG 81 HH21 ARG 81 -6.281 -15.786 -4.813 561 HH22 ARG 81 HH22 ARG 81 -5.531 -17.338 -4.550 562 H ILE 82 HN ILE 82 -5.820 -10.361 -1.361 563 HA ILE 82 HA ILE 82 -8.149 -9.919 -2.902 564 HB ILE 82 HB ILE 82 -6.052 -8.027 -1.848 565 HG12 ILE 82 HG12 ILE 82 -8.895 -8.424 -0.922 566 HG13 ILE 82 HG11 ILE 82 -7.563 -9.382 -0.284 567 HG21 ILE 82 HG21 ILE 82 -8.721 -7.352 -3.080 568 HG22 ILE 82 HG22 ILE 82 -7.140 -7.015 -3.786 569 HG23 ILE 82 HG23 ILE 82 -7.629 -6.213 -2.292 570 HD11 ILE 82 HD11 ILE 82 -8.075 -7.569 1.210 571 HD12 ILE 82 HD12 ILE 82 -7.876 -6.394 -0.093 572 HD13 ILE 82 HD13 ILE 82 -6.486 -7.310 0.490 573 H LEU 83 HN LEU 83 -4.730 -9.782 -3.647 574 HA LEU 83 HA LEU 83 -5.100 -8.560 -6.219 575 HB2 LEU 83 HB2 LEU 83 -2.754 -9.965 -4.953 576 HB3 LEU 83 HB1 LEU 83 -2.697 -9.233 -6.544 577 HG LEU 83 HG LEU 83 -3.298 -7.723 -4.001 578 HD11 LEU 83 HD11 LEU 83 -1.012 -8.581 -4.000 579 HD12 LEU 83 HD12 LEU 83 -1.043 -6.829 -4.204 580 HD13 LEU 83 HD13 LEU 83 -0.743 -7.874 -5.594 581 HD21 LEU 83 HD21 LEU 83 -2.734 -6.806 -6.817 582 HD22 LEU 83 HD22 LEU 83 -2.876 -5.750 -5.415 583 HD23 LEU 83 HD23 LEU 83 -4.270 -6.683 -5.959 584 H SER 84 HN SER 84 -5.338 -11.736 -4.977 585 HA SER 84 HA SER 84 -5.350 -12.812 -7.720 586 HB2 SER 84 HB2 SER 84 -4.509 -14.331 -5.245 587 HB3 SER 84 HB1 SER 84 -4.381 -14.866 -6.923 588 HG SER 84 HG SER 84 -3.137 -12.474 -6.158
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