NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
646750 | 6y8w | 34495 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -3 H1 GLY -3 13.921 -4.228 4.498 2 H2 GLY -3 H2 GLY -3 13.082 -5.339 5.362 3 H3 GLY -3 H3 GLY -3 14.169 -4.367 6.117 4 HA2 GLY -3 HA2 GLY -3 11.950 -3.594 6.604 5 HA3 GLY -3 HA3 GLY -3 12.858 -2.415 5.628 6 HA PRO -2 HA PRO -2 8.842 -2.872 3.416 7 HB2 PRO -2 HB2 PRO -2 9.769 -0.145 2.534 8 HB3 PRO -2 HB3 PRO -2 8.120 -0.672 2.983 9 HG2 PRO -2 HG2 PRO -2 9.585 0.746 4.739 10 HG3 PRO -2 HG3 PRO -2 8.687 -0.701 5.312 11 HD2 PRO -2 HD2 PRO -2 11.631 -0.490 4.599 12 HD3 PRO -2 HD3 PRO -2 10.863 -1.227 6.034 13 H GLY -1 H GLY -1 8.299 -2.886 1.127 14 HA2 GLY -1 HA2 GLY -1 10.263 -4.129 -0.527 15 HA3 GLY -1 HA3 GLY -1 8.641 -3.639 -1.012 16 H SER 0 H SER 0 9.777 -0.774 -0.094 17 HA SER 0 HA SER 0 11.583 -0.101 -2.310 18 HB2 SER 0 HB2 SER 0 9.241 -0.047 -3.267 19 HB3 SER 0 HB3 SER 0 8.858 1.235 -2.112 20 HG SER 0 HG SER 0 10.684 1.258 -4.309 21 H MET 1 H MET 1 11.651 2.581 -2.190 22 HA MET 1 HA MET 1 11.773 3.435 0.636 23 HB2 MET 1 HB2 MET 1 14.079 4.133 0.534 24 HB3 MET 1 HB3 MET 1 13.938 2.401 0.233 25 HG2 MET 1 HG2 MET 1 14.088 2.886 -2.237 26 HG3 MET 1 HG3 MET 1 14.461 4.562 -1.833 27 HE1 MET 1 HE1 MET 1 16.380 4.251 0.763 28 HE2 MET 1 HE2 MET 1 17.944 4.294 -0.082 29 HE3 MET 1 HE3 MET 1 16.605 5.351 -0.614 30 H CYS 2 H CYS 2 11.459 5.498 1.011 31 HA CYS 2 HA CYS 2 11.481 7.560 -1.097 32 HB2 CYS 2 HB2 CYS 2 9.051 6.856 0.622 33 HB3 CYS 2 HB3 CYS 2 9.219 8.348 -0.306 34 HG CYS 2 HG CYS 2 9.179 5.226 -1.407 35 H MET 3 H MET 3 11.458 9.710 -0.219 36 HA MET 3 HA MET 3 12.639 10.098 2.426 37 HB2 MET 3 HB2 MET 3 11.494 12.090 0.420 38 HB3 MET 3 HB3 MET 3 12.284 12.511 1.930 39 HG2 MET 3 HG2 MET 3 13.921 12.801 0.300 40 HG3 MET 3 HG3 MET 3 14.351 11.343 1.167 41 HE1 MET 3 HE1 MET 3 11.603 11.676 -1.804 42 HE2 MET 3 HE2 MET 3 12.864 12.916 -2.035 43 HE3 MET 3 HE3 MET 3 12.724 11.547 -3.173 44 H ALA 4 H ALA 4 11.578 11.782 3.911 45 HA ALA 4 HA ALA 4 9.108 10.711 4.903 46 HB1 ALA 4 HB1 ALA 4 10.896 11.638 6.317 47 HB2 ALA 4 HB2 ALA 4 10.603 13.259 5.629 48 HB3 ALA 4 HB3 ALA 4 9.372 12.473 6.609 49 H LYS 5 H LYS 5 7.308 12.152 5.570 50 HA LYS 5 HA LYS 5 6.605 14.353 3.687 51 HB2 LYS 5 HB2 LYS 5 4.289 13.576 3.530 52 HB3 LYS 5 HB3 LYS 5 5.420 12.445 2.799 53 HG2 LYS 5 HG2 LYS 5 5.260 10.909 4.663 54 HG3 LYS 5 HG3 LYS 5 4.294 12.040 5.611 55 HD2 LYS 5 HD2 LYS 5 3.381 10.860 2.959 56 HD3 LYS 5 HD3 LYS 5 3.004 10.171 4.549 57 HE2 LYS 5 HE2 LYS 5 1.863 12.241 5.232 58 HE3 LYS 5 HE3 LYS 5 2.298 13.016 3.709 59 HZ1 LYS 5 HZ1 LYS 5 0.955 11.288 2.573 60 HZ2 LYS 5 HZ2 LYS 5 0.474 10.694 4.020 61 HZ3 LYS 5 HZ3 LYS 5 0.075 12.223 3.577 62 H VAL 6 H VAL 6 5.415 15.995 4.521 63 HA VAL 6 HA VAL 6 5.153 16.102 7.498 64 HB VAL 6 HB VAL 6 5.450 18.317 5.456 65 HG11 VAL 6 HG11 VAL 6 5.061 18.529 8.465 66 HG12 VAL 6 HG12 VAL 6 5.576 19.861 7.413 67 HG13 VAL 6 HG13 VAL 6 3.963 19.181 7.218 68 HG21 VAL 6 HG21 VAL 6 7.543 17.110 6.072 69 HG22 VAL 6 HG22 VAL 6 7.538 18.793 6.624 70 HG23 VAL 6 HG23 VAL 6 7.225 17.485 7.771 71 H VAL 7 H VAL 7 3.256 16.656 8.475 72 HA VAL 7 HA VAL 7 0.915 17.459 6.844 73 HB VAL 7 HB VAL 7 0.647 15.077 7.085 74 HG11 VAL 7 HG11 VAL 7 0.313 13.968 9.257 75 HG12 VAL 7 HG12 VAL 7 1.948 14.607 9.126 76 HG13 VAL 7 HG13 VAL 7 0.726 15.466 10.103 77 HG21 VAL 7 HG21 VAL 7 -1.288 16.449 9.008 78 HG22 VAL 7 HG22 VAL 7 -1.373 16.570 7.237 79 HG23 VAL 7 HG23 VAL 7 -1.568 14.996 8.028 80 H LEU 8 H LEU 8 -0.437 18.897 7.752 81 HA LEU 8 HA LEU 8 -0.160 19.703 10.578 82 HB2 LEU 8 HB2 LEU 8 0.503 21.963 10.091 83 HB3 LEU 8 HB3 LEU 8 1.648 20.844 9.386 84 HG LEU 8 HG LEU 8 0.113 21.211 7.191 85 HD11 LEU 8 HD11 LEU 8 -0.438 23.666 7.014 86 HD12 LEU 8 HD12 LEU 8 -1.468 22.837 8.178 87 HD13 LEU 8 HD13 LEU 8 -0.122 23.843 8.742 88 HD21 LEU 8 HD21 LEU 8 1.735 22.875 6.445 89 HD22 LEU 8 HD22 LEU 8 2.258 23.150 8.125 90 HD23 LEU 8 HD23 LEU 8 2.532 21.579 7.327 91 H THR 9 H THR 9 -1.682 21.317 11.259 92 HA THR 9 HA THR 9 -4.131 21.591 9.567 93 HB THR 9 HB THR 9 -4.071 21.627 12.599 94 HG1 THR 9 HG1 THR 9 -3.600 19.575 11.915 95 HG21 THR 9 HG21 THR 9 -6.344 21.418 10.569 96 HG22 THR 9 HG22 THR 9 -6.526 21.285 12.334 97 HG23 THR 9 HG23 THR 9 -6.000 22.810 11.623 98 H LYS 10 H LYS 10 -4.805 23.597 9.148 99 HA LYS 10 HA LYS 10 -3.140 25.911 9.912 100 HB2 LYS 10 HB2 LYS 10 -5.610 25.647 8.128 101 HB3 LYS 10 HB3 LYS 10 -4.643 27.121 8.349 102 HG2 LYS 10 HG2 LYS 10 -2.630 25.811 7.505 103 HG3 LYS 10 HG3 LYS 10 -3.746 24.525 7.030 104 HD2 LYS 10 HD2 LYS 10 -3.907 27.436 6.112 105 HD3 LYS 10 HD3 LYS 10 -3.173 26.140 5.172 106 HE2 LYS 10 HE2 LYS 10 -5.236 25.066 4.763 107 HE3 LYS 10 HE3 LYS 10 -6.055 25.909 6.089 108 HZ1 LYS 10 HZ1 LYS 10 -6.641 26.831 3.922 109 HZ2 LYS 10 HZ2 LYS 10 -5.950 27.957 4.876 110 HZ3 LYS 10 HZ3 LYS 10 -5.101 27.282 3.633 111 H ALA 11 H ALA 11 -4.065 27.913 10.671 112 HA ALA 11 HA ALA 11 -5.954 27.772 12.839 113 HB1 ALA 11 HB1 ALA 11 -5.801 30.235 12.758 114 HB2 ALA 11 HB2 ALA 11 -4.192 29.505 12.651 115 HB3 ALA 11 HB3 ALA 11 -4.980 30.156 11.191 116 H ASP 12 H ASP 12 -6.397 28.040 9.393 117 HA ASP 12 HA ASP 12 -9.144 28.942 9.323 118 HB2 ASP 12 HB2 ASP 12 -7.588 27.191 7.380 119 HB3 ASP 12 HB3 ASP 12 -9.089 28.032 7.022 120 H GLY 13 H GLY 13 -7.854 26.012 10.497 121 HA2 GLY 13 HA2 GLY 13 -8.915 24.112 11.305 122 HA3 GLY 13 HA3 GLY 13 -10.432 24.607 10.554 123 H GLY 14 H GLY 14 -8.466 24.895 8.019 124 HA2 GLY 14 HA2 GLY 14 -8.968 22.243 6.851 125 HA3 GLY 14 HA3 GLY 14 -8.180 23.613 6.074 126 H ARG 15 H ARG 15 -7.121 21.154 5.670 127 HA ARG 15 HA ARG 15 -4.587 21.129 7.279 128 HB2 ARG 15 HB2 ARG 15 -6.321 18.785 6.414 129 HB3 ARG 15 HB3 ARG 15 -4.613 18.603 6.838 130 HG2 ARG 15 HG2 ARG 15 -5.003 19.603 9.037 131 HG3 ARG 15 HG3 ARG 15 -6.728 19.781 8.686 132 HD2 ARG 15 HD2 ARG 15 -7.044 17.403 8.602 133 HD3 ARG 15 HD3 ARG 15 -5.293 17.099 8.668 134 HE ARG 15 HE ARG 15 -5.620 18.541 10.924 135 HH11 ARG 15 HH11 ARG 15 -7.382 15.676 9.881 136 HH12 ARG 15 HH12 ARG 15 -7.719 15.202 11.529 137 HH21 ARG 15 HH21 ARG 15 -6.063 17.877 12.929 138 HH22 ARG 15 HH22 ARG 15 -6.965 16.410 13.219 139 H VAL 16 H VAL 16 -2.736 20.405 6.370 140 HA VAL 16 HA VAL 16 -2.510 20.475 3.392 141 HB VAL 16 HB VAL 16 -0.835 22.111 5.304 142 HG11 VAL 16 HG11 VAL 16 -0.646 21.858 2.287 143 HG12 VAL 16 HG12 VAL 16 0.216 23.056 3.256 144 HG13 VAL 16 HG13 VAL 16 0.578 21.352 3.474 145 HG21 VAL 16 HG21 VAL 16 -3.016 23.185 4.929 146 HG22 VAL 16 HG22 VAL 16 -1.750 24.075 4.093 147 HG23 VAL 16 HG23 VAL 16 -2.815 22.986 3.172 148 H GLU 17 H GLU 17 -0.891 19.219 2.539 149 HA GLU 17 HA GLU 17 0.932 17.754 4.367 150 HB2 GLU 17 HB2 GLU 17 -0.691 16.510 2.115 151 HB3 GLU 17 HB3 GLU 17 0.650 15.720 2.962 152 HG2 GLU 17 HG2 GLU 17 -0.566 15.877 5.089 153 HG3 GLU 17 HG3 GLU 17 -1.921 16.696 4.299 154 H ILE 18 H ILE 18 2.971 17.364 3.577 155 HA ILE 18 HA ILE 18 3.653 18.370 0.838 156 HB ILE 18 HB ILE 18 5.371 18.906 3.280 157 HG12 ILE 18 HG12 ILE 18 4.685 21.409 2.536 158 HG13 ILE 18 HG13 ILE 18 3.194 20.624 2.078 159 HG21 ILE 18 HG21 ILE 18 6.551 18.719 1.097 160 HG22 ILE 18 HG22 ILE 18 5.502 19.990 0.439 161 HG23 ILE 18 HG23 ILE 18 6.622 20.346 1.768 162 HD11 ILE 18 HD11 ILE 18 4.541 20.645 4.832 163 HD12 ILE 18 HD12 ILE 18 3.059 21.500 4.369 164 HD13 ILE 18 HD13 ILE 18 3.063 19.734 4.490 165 H GLY 19 H GLY 19 4.410 16.691 -0.279 166 HA2 GLY 19 HA2 GLY 19 5.650 14.364 1.068 167 HA3 GLY 19 HA3 GLY 19 5.141 14.463 -0.618 168 H ASP 20 H ASP 20 7.536 13.350 0.161 169 HA ASP 20 HA ASP 20 9.715 13.247 -0.315 170 HB2 ASP 20 HB2 ASP 20 9.006 15.055 -2.631 171 HB3 ASP 20 HB3 ASP 20 10.378 13.949 -2.532 172 H VAL 21 H VAL 21 9.431 14.985 1.758 173 HA VAL 21 HA VAL 21 10.861 17.462 1.282 174 HB VAL 21 HB VAL 21 10.713 17.884 3.602 175 HG11 VAL 21 HG11 VAL 21 8.265 17.813 3.907 176 HG12 VAL 21 HG12 VAL 21 8.702 18.289 2.261 177 HG13 VAL 21 HG13 VAL 21 8.111 16.647 2.598 178 HG21 VAL 21 HG21 VAL 21 11.142 15.627 4.562 179 HG22 VAL 21 HG22 VAL 21 9.754 16.448 5.264 180 HG23 VAL 21 HG23 VAL 21 9.508 15.147 4.076 181 H LEU 22 H LEU 22 12.929 17.993 1.608 182 HA LEU 22 HA LEU 22 14.938 15.860 2.138 183 HB2 LEU 22 HB2 LEU 22 15.170 18.723 1.123 184 HB3 LEU 22 HB3 LEU 22 16.533 17.640 1.406 185 HG LEU 22 HG LEU 22 14.321 17.178 -0.635 186 HD11 LEU 22 HD11 LEU 22 17.246 17.973 -0.950 187 HD12 LEU 22 HD12 LEU 22 16.117 17.613 -2.278 188 HD13 LEU 22 HD13 LEU 22 15.835 19.026 -1.243 189 HD21 LEU 22 HD21 LEU 22 16.860 15.586 -0.051 190 HD22 LEU 22 HD22 LEU 22 15.180 15.017 0.107 191 HD23 LEU 22 HD23 LEU 22 15.843 15.378 -1.485 192 H GLU 23 H GLU 23 13.548 18.768 3.583 193 HA GLU 23 HA GLU 23 14.769 18.081 6.134 194 HB2 GLU 23 HB2 GLU 23 16.582 19.320 5.072 195 HB3 GLU 23 HB3 GLU 23 15.514 20.693 4.764 196 HG2 GLU 23 HG2 GLU 23 15.322 21.146 7.141 197 HG3 GLU 23 HG3 GLU 23 16.082 19.606 7.552 198 H VAL 24 H VAL 24 13.821 19.047 7.908 199 HA VAL 24 HA VAL 24 11.717 21.118 7.552 200 HB VAL 24 HB VAL 24 11.365 18.740 9.386 201 HG11 VAL 24 HG11 VAL 24 10.170 20.718 10.144 202 HG12 VAL 24 HG12 VAL 24 9.410 20.898 8.557 203 HG13 VAL 24 HG13 VAL 24 9.031 19.494 9.567 204 HG21 VAL 24 HG21 VAL 24 10.085 19.122 6.663 205 HG22 VAL 24 HG22 VAL 24 11.196 17.831 7.153 206 HG23 VAL 24 HG23 VAL 24 9.604 17.923 7.881 207 H ARG 25 H ARG 25 11.773 22.689 9.158 208 HA ARG 25 HA ARG 25 13.545 22.312 11.558 209 HB2 ARG 25 HB2 ARG 25 13.598 24.771 9.753 210 HB3 ARG 25 HB3 ARG 25 14.528 24.518 11.228 211 HG2 ARG 25 HG2 ARG 25 15.764 22.656 10.075 212 HG3 ARG 25 HG3 ARG 25 14.851 23.011 8.599 213 HD2 ARG 25 HD2 ARG 25 15.717 25.363 8.688 214 HD3 ARG 25 HD3 ARG 25 16.727 24.907 10.080 215 HE ARG 25 HE ARG 25 17.438 23.027 8.214 216 HH11 ARG 25 HH11 ARG 25 17.606 26.520 8.207 217 HH12 ARG 25 HH12 ARG 25 18.775 26.544 6.919 218 HH21 ARG 25 HH21 ARG 25 18.686 23.136 6.415 219 HH22 ARG 25 HH22 ARG 25 19.417 24.660 5.954 220 H ALA 26 H ALA 26 12.811 23.232 13.390 221 HA ALA 26 HA ALA 26 10.391 24.986 13.312 222 HB1 ALA 26 HB1 ALA 26 10.327 24.582 15.744 223 HB2 ALA 26 HB2 ALA 26 10.258 23.062 14.828 224 HB3 ALA 26 HB3 ALA 26 11.771 23.561 15.617 225 H GLU 27 H GLU 27 10.784 27.150 13.328 226 HA GLU 27 HA GLU 27 13.150 28.314 14.647 227 HB2 GLU 27 HB2 GLU 27 13.963 27.402 12.438 228 HB3 GLU 27 HB3 GLU 27 12.828 28.485 11.626 229 HG2 GLU 27 HG2 GLU 27 13.984 30.431 12.680 230 HG3 GLU 27 HG3 GLU 27 15.060 29.315 13.530 231 H GLY 28 H GLY 28 12.692 30.362 15.348 232 HA2 GLY 28 HA2 GLY 28 11.802 32.455 15.511 233 HA3 GLY 28 HA3 GLY 28 11.496 32.366 13.776 234 H GLY 29 H GLY 29 9.878 30.203 16.071 235 HA2 GLY 29 HA2 GLY 29 7.662 30.093 16.782 236 HA3 GLY 29 HA3 GLY 29 7.377 31.725 16.161 237 H ALA 30 H ALA 30 8.747 29.419 13.958 238 HA ALA 30 HA ALA 30 6.153 28.680 12.724 239 HB1 ALA 30 HB1 ALA 30 7.030 30.809 11.650 240 HB2 ALA 30 HB2 ALA 30 8.527 29.958 11.263 241 HB3 ALA 30 HB3 ALA 30 7.003 29.425 10.534 242 H VAL 31 H VAL 31 6.440 27.026 11.030 243 HA VAL 31 HA VAL 31 8.969 25.430 11.303 244 HB VAL 31 HB VAL 31 6.233 24.392 10.578 245 HG11 VAL 31 HG11 VAL 31 7.825 23.239 9.137 246 HG12 VAL 31 HG12 VAL 31 8.965 23.029 10.485 247 HG13 VAL 31 HG13 VAL 31 7.418 22.155 10.452 248 HG21 VAL 31 HG21 VAL 31 8.188 23.663 12.820 249 HG22 VAL 31 HG22 VAL 31 6.739 24.670 13.018 250 HG23 VAL 31 HG23 VAL 31 6.571 22.968 12.553 251 H ARG 32 H ARG 32 10.244 25.308 9.677 252 HA ARG 32 HA ARG 32 9.408 26.173 6.914 253 HB2 ARG 32 HB2 ARG 32 12.171 25.935 8.197 254 HB3 ARG 32 HB3 ARG 32 11.867 26.289 6.495 255 HG2 ARG 32 HG2 ARG 32 10.815 28.412 7.023 256 HG3 ARG 32 HG3 ARG 32 10.850 28.044 8.768 257 HD2 ARG 32 HD2 ARG 32 12.630 29.584 8.266 258 HD3 ARG 32 HD3 ARG 32 13.306 28.009 8.738 259 HE ARG 32 HE ARG 32 13.062 28.197 5.851 260 HH11 ARG 32 HH11 ARG 32 15.203 29.298 8.461 261 HH12 ARG 32 HH12 ARG 32 16.503 29.567 7.321 262 HH21 ARG 32 HH21 ARG 32 14.701 28.468 4.593 263 HH22 ARG 32 HH22 ARG 32 16.257 29.074 5.160 264 H VAL 33 H VAL 33 9.751 24.764 5.201 265 HA VAL 33 HA VAL 33 11.166 22.240 5.612 266 HB VAL 33 HB VAL 33 9.360 21.205 6.375 267 HG11 VAL 33 HG11 VAL 33 7.449 22.914 4.786 268 HG12 VAL 33 HG12 VAL 33 7.005 21.564 5.863 269 HG13 VAL 33 HG13 VAL 33 7.780 22.993 6.542 270 HG21 VAL 33 HG21 VAL 33 9.875 20.036 4.292 271 HG22 VAL 33 HG22 VAL 33 8.156 19.910 4.693 272 HG23 VAL 33 HG23 VAL 33 8.668 21.021 3.420 273 H THR 34 H THR 34 11.965 21.322 3.849 274 HA THR 34 HA THR 34 11.635 22.823 1.259 275 HB THR 34 HB THR 34 14.255 21.692 2.282 276 HG1 THR 34 HG1 THR 34 14.786 23.746 2.972 277 HG21 THR 34 HG21 THR 34 15.217 23.379 0.720 278 HG22 THR 34 HG22 THR 34 14.205 22.211 -0.123 279 HG23 THR 34 HG23 THR 34 13.570 23.837 0.219 280 H THR 35 H THR 35 11.850 21.671 -0.655 281 HA THR 35 HA THR 35 11.671 18.677 -0.432 282 HB THR 35 HB THR 35 10.039 18.710 -2.202 283 HG1 THR 35 HG1 THR 35 10.246 21.537 -2.109 284 HG21 THR 35 HG21 THR 35 9.134 19.059 0.079 285 HG22 THR 35 HG22 THR 35 9.206 20.815 -0.174 286 HG23 THR 35 HG23 THR 35 8.152 19.806 -1.185 287 H LEU 36 H LEU 36 12.109 17.443 -2.414 288 HA LEU 36 HA LEU 36 14.497 18.320 -3.798 289 HB2 LEU 36 HB2 LEU 36 14.275 16.254 -5.098 290 HB3 LEU 36 HB3 LEU 36 14.353 16.037 -3.360 291 HG LEU 36 HG LEU 36 12.121 15.344 -3.174 292 HD11 LEU 36 HD11 LEU 36 10.874 16.844 -4.643 293 HD12 LEU 36 HD12 LEU 36 11.668 16.156 -6.081 294 HD13 LEU 36 HD13 LEU 36 10.553 15.175 -5.105 295 HD21 LEU 36 HD21 LEU 36 13.731 13.715 -4.150 296 HD22 LEU 36 HD22 LEU 36 12.056 13.409 -4.649 297 HD23 LEU 36 HD23 LEU 36 13.196 14.177 -5.776 298 H PHE 37 H PHE 37 11.346 19.330 -4.343 299 HA PHE 37 HA PHE 37 11.609 19.719 -7.242 300 HB2 PHE 37 HB2 PHE 37 9.622 20.966 -5.320 301 HB3 PHE 37 HB3 PHE 37 9.485 20.859 -7.069 302 HD1 PHE 37 HD1 PHE 37 8.383 19.418 -4.050 303 HD2 PHE 37 HD2 PHE 37 9.644 18.327 -8.030 304 HE1 PHE 37 HE1 PHE 37 7.206 17.247 -3.822 305 HE2 PHE 37 HE2 PHE 37 8.445 16.164 -7.813 306 HZ PHE 37 HZ PHE 37 7.237 15.610 -5.700 307 H ASP 38 H ASP 38 13.337 20.992 -4.839 308 HA ASP 38 HA ASP 38 14.422 22.844 -4.291 309 HB2 ASP 38 HB2 ASP 38 13.909 23.909 -7.072 310 HB3 ASP 38 HB3 ASP 38 15.104 24.497 -5.921 311 H GLU 39 H GLU 39 11.359 22.683 -4.149 312 HA GLU 39 HA GLU 39 10.691 25.528 -3.727 313 HB2 GLU 39 HB2 GLU 39 9.080 24.043 -4.895 314 HB3 GLU 39 HB3 GLU 39 9.002 23.013 -3.475 315 HG2 GLU 39 HG2 GLU 39 7.046 24.411 -3.560 316 HG3 GLU 39 HG3 GLU 39 8.001 24.871 -2.156 317 H GLU 40 H GLU 40 10.105 26.380 -1.745 318 HA GLU 40 HA GLU 40 10.558 24.756 0.699 319 HB2 GLU 40 HB2 GLU 40 12.647 26.001 0.250 320 HB3 GLU 40 HB3 GLU 40 11.740 27.526 0.281 321 HG2 GLU 40 HG2 GLU 40 11.037 27.020 2.631 322 HG3 GLU 40 HG3 GLU 40 12.000 25.555 2.600 323 H HIS 41 H HIS 41 9.099 25.028 2.209 324 HA HIS 41 HA HIS 41 6.952 27.092 1.907 325 HB2 HIS 41 HB2 HIS 41 6.741 24.405 3.256 326 HB3 HIS 41 HB3 HIS 41 5.441 25.517 2.869 327 HD2 HIS 41 HD2 HIS 41 7.513 22.694 1.453 328 HE1 HIS 41 HE1 HIS 41 5.013 23.948 -1.771 329 HE2 HIS 41 HE2 HIS 41 6.628 22.149 -0.983 330 H ALA 42 H ALA 42 6.055 27.986 3.824 331 HA ALA 42 HA ALA 42 7.428 27.507 6.391 332 HB1 ALA 42 HB1 ALA 42 8.589 29.444 5.440 333 HB2 ALA 42 HB2 ALA 42 7.042 30.290 5.192 334 HB3 ALA 42 HB3 ALA 42 7.609 29.925 6.831 335 H PHE 43 H PHE 43 6.117 27.469 8.073 336 HA PHE 43 HA PHE 43 3.242 28.259 7.774 337 HB2 PHE 43 HB2 PHE 43 4.354 25.700 8.951 338 HB3 PHE 43 HB3 PHE 43 2.657 26.187 8.877 339 HD1 PHE 43 HD1 PHE 43 1.617 26.590 6.539 340 HD2 PHE 43 HD2 PHE 43 5.338 24.478 7.159 341 HE1 PHE 43 HE1 PHE 43 1.412 25.566 4.293 342 HE2 PHE 43 HE2 PHE 43 5.104 23.428 4.926 343 HZ PHE 43 HZ PHE 43 3.163 23.985 3.475 344 HA PRO 44 HA PRO 44 4.843 30.223 11.603 345 HB2 PRO 44 HB2 PRO 44 3.187 32.401 11.638 346 HB3 PRO 44 HB3 PRO 44 4.676 32.286 10.659 347 HG2 PRO 44 HG2 PRO 44 1.823 31.788 9.781 348 HG3 PRO 44 HG3 PRO 44 3.102 32.728 8.936 349 HD2 PRO 44 HD2 PRO 44 2.494 30.160 8.292 350 HD3 PRO 44 HD3 PRO 44 4.164 30.795 8.174 351 H GLY 45 H GLY 45 4.161 30.200 13.667 352 HA2 GLY 45 HA2 GLY 45 2.736 29.958 15.502 353 HA3 GLY 45 HA3 GLY 45 1.364 29.674 14.435 354 H LEU 46 H LEU 46 3.969 27.687 13.529 355 HA LEU 46 HA LEU 46 2.852 25.343 15.010 356 HB2 LEU 46 HB2 LEU 46 4.323 25.365 12.362 357 HB3 LEU 46 HB3 LEU 46 3.661 23.962 13.178 358 HG LEU 46 HG LEU 46 2.113 26.227 11.876 359 HD11 LEU 46 HD11 LEU 46 2.144 23.223 11.371 360 HD12 LEU 46 HD12 LEU 46 1.347 24.476 10.395 361 HD13 LEU 46 HD13 LEU 46 3.113 24.389 10.462 362 HD21 LEU 46 HD21 LEU 46 1.061 23.850 13.473 363 HD22 LEU 46 HD22 LEU 46 0.853 25.574 13.867 364 HD23 LEU 46 HD23 LEU 46 0.067 24.896 12.438 365 H ALA 47 H ALA 47 4.238 23.637 15.524 366 HA ALA 47 HA ALA 47 7.165 23.965 15.405 367 HB1 ALA 47 HB1 ALA 47 5.674 23.209 17.948 368 HB2 ALA 47 HB2 ALA 47 7.437 23.165 17.724 369 HB3 ALA 47 HB3 ALA 47 6.580 24.716 17.669 370 H ILE 48 H ILE 48 8.269 21.836 15.590 371 HA ILE 48 HA ILE 48 6.798 19.671 14.279 372 HB ILE 48 HB ILE 48 9.601 19.704 15.442 373 HG12 ILE 48 HG12 ILE 48 8.871 19.826 12.490 374 HG13 ILE 48 HG13 ILE 48 9.095 21.291 13.444 375 HG21 ILE 48 HG21 ILE 48 9.911 17.646 14.010 376 HG22 ILE 48 HG22 ILE 48 8.734 17.406 15.289 377 HG23 ILE 48 HG23 ILE 48 8.188 17.693 13.625 378 HD11 ILE 48 HD11 ILE 48 11.144 20.807 12.292 379 HD12 ILE 48 HD12 ILE 48 11.406 20.583 14.028 380 HD13 ILE 48 HD13 ILE 48 11.209 19.171 12.954 381 H GLY 49 H GLY 49 5.458 18.314 15.325 382 HA2 GLY 49 HA2 GLY 49 5.556 18.118 18.289 383 HA3 GLY 49 HA3 GLY 49 4.227 17.680 17.223 384 H ARG 50 H ARG 50 5.617 15.967 15.418 385 HA ARG 50 HA ARG 50 6.681 13.708 17.044 386 HB2 ARG 50 HB2 ARG 50 4.159 13.705 17.163 387 HB3 ARG 50 HB3 ARG 50 4.127 13.522 15.406 388 HG2 ARG 50 HG2 ARG 50 5.301 11.325 15.639 389 HG3 ARG 50 HG3 ARG 50 5.290 11.536 17.406 390 HD2 ARG 50 HD2 ARG 50 2.776 11.735 17.293 391 HD3 ARG 50 HD3 ARG 50 2.873 11.371 15.556 392 HE ARG 50 HE ARG 50 4.191 9.396 17.290 393 HH11 ARG 50 HH11 ARG 50 1.057 10.136 15.857 394 HH12 ARG 50 HH12 ARG 50 0.525 8.485 16.035 395 HH21 ARG 50 HH21 ARG 50 3.478 7.480 17.518 396 HH22 ARG 50 HH22 ARG 50 1.886 6.959 16.941 397 H VAL 51 H VAL 51 7.815 12.230 15.904 398 HA VAL 51 HA VAL 51 7.874 12.326 12.920 399 HB VAL 51 HB VAL 51 10.348 12.126 14.659 400 HG11 VAL 51 HG11 VAL 51 9.985 12.260 11.638 401 HG12 VAL 51 HG12 VAL 51 11.542 12.340 12.492 402 HG13 VAL 51 HG13 VAL 51 10.565 10.878 12.578 403 HG21 VAL 51 HG21 VAL 51 9.415 14.462 12.948 404 HG22 VAL 51 HG22 VAL 51 9.551 14.446 14.718 405 HG23 VAL 51 HG23 VAL 51 11.004 14.311 13.731 406 H ASP 52 H ASP 52 7.099 10.389 12.330 407 HA ASP 52 HA ASP 52 7.608 7.975 14.021 408 HB2 ASP 52 HB2 ASP 52 5.283 8.732 13.886 409 HB3 ASP 52 HB3 ASP 52 5.327 8.637 12.119 410 H LEU 53 H LEU 53 9.515 7.236 13.170 411 HA LEU 53 HA LEU 53 10.143 7.287 10.356 412 HB2 LEU 53 HB2 LEU 53 11.521 5.814 12.640 413 HB3 LEU 53 HB3 LEU 53 12.159 6.035 11.023 414 HG LEU 53 HG LEU 53 13.334 7.528 12.333 415 HD11 LEU 53 HD11 LEU 53 11.153 9.199 11.037 416 HD12 LEU 53 HD12 LEU 53 12.781 9.748 11.469 417 HD13 LEU 53 HD13 LEU 53 12.578 8.506 10.215 418 HD21 LEU 53 HD21 LEU 53 12.484 9.188 13.846 419 HD22 LEU 53 HD22 LEU 53 10.807 8.734 13.523 420 HD23 LEU 53 HD23 LEU 53 11.906 7.594 14.340 421 H ARG 54 H ARG 54 8.276 5.073 12.154 422 HA ARG 54 HA ARG 54 8.695 2.636 10.670 423 HB2 ARG 54 HB2 ARG 54 6.099 3.653 11.888 424 HB3 ARG 54 HB3 ARG 54 6.509 1.987 11.492 425 HG2 ARG 54 HG2 ARG 54 8.290 2.001 13.242 426 HG3 ARG 54 HG3 ARG 54 7.864 3.678 13.645 427 HD2 ARG 54 HD2 ARG 54 5.452 2.805 13.977 428 HD3 ARG 54 HD3 ARG 54 6.141 1.194 13.951 429 HE ARG 54 HE ARG 54 7.091 1.543 16.068 430 HH11 ARG 54 HH11 ARG 54 5.961 4.732 14.936 431 HH12 ARG 54 HH12 ARG 54 5.806 5.254 16.614 432 HH21 ARG 54 HH21 ARG 54 6.975 2.529 18.112 433 HH22 ARG 54 HH22 ARG 54 6.437 4.206 18.191 434 H SER 55 H SER 55 6.914 5.569 9.953 435 HA SER 55 HA SER 55 6.134 4.521 7.253 436 HB2 SER 55 HB2 SER 55 4.510 6.346 9.058 437 HB3 SER 55 HB3 SER 55 4.053 5.807 7.430 438 HG SER 55 HG SER 55 3.066 4.540 9.075 439 H GLY 56 H GLY 56 7.890 6.950 8.879 440 HA2 GLY 56 HA2 GLY 56 9.154 8.688 8.003 441 HA3 GLY 56 HA3 GLY 56 8.498 8.380 6.400 442 H VAL 57 H VAL 57 6.408 8.964 9.222 443 HA VAL 57 HA VAL 57 5.354 11.408 7.864 444 HB VAL 57 HB VAL 57 4.145 9.715 10.063 445 HG11 VAL 57 HG11 VAL 57 3.031 12.134 8.558 446 HG12 VAL 57 HG12 VAL 57 2.078 11.062 9.602 447 HG13 VAL 57 HG13 VAL 57 3.367 12.034 10.302 448 HG21 VAL 57 HG21 VAL 57 2.504 9.087 8.320 449 HG22 VAL 57 HG22 VAL 57 3.405 10.048 7.124 450 HG23 VAL 57 HG23 VAL 57 4.132 8.601 7.847 451 H ILE 58 H ILE 58 5.752 13.352 8.538 452 HA ILE 58 HA ILE 58 6.735 13.907 11.312 453 HB ILE 58 HB ILE 58 7.105 15.349 8.676 454 HG12 ILE 58 HG12 ILE 58 9.193 14.252 10.603 455 HG13 ILE 58 HG13 ILE 58 8.576 13.346 9.231 456 HG21 ILE 58 HG21 ILE 58 6.715 17.086 10.334 457 HG22 ILE 58 HG22 ILE 58 7.843 16.314 11.472 458 HG23 ILE 58 HG23 ILE 58 8.419 17.044 9.955 459 HD11 ILE 58 HD11 ILE 58 9.358 15.192 7.705 460 HD12 ILE 58 HD12 ILE 58 10.185 15.915 9.117 461 HD13 ILE 58 HD13 ILE 58 10.634 14.297 8.536 462 H SER 59 H SER 59 5.087 14.546 12.590 463 HA SER 59 HA SER 59 2.756 16.007 11.404 464 HB2 SER 59 HB2 SER 59 2.943 14.732 14.137 465 HB3 SER 59 HB3 SER 59 1.522 15.473 13.387 466 HG SER 59 HG SER 59 1.488 13.208 13.174 467 H LEU 60 H LEU 60 2.612 18.115 11.652 468 HA LEU 60 HA LEU 60 4.219 19.516 13.726 469 HB2 LEU 60 HB2 LEU 60 2.492 20.747 11.575 470 HB3 LEU 60 HB3 LEU 60 3.725 21.531 12.568 471 HG LEU 60 HG LEU 60 4.157 19.505 10.337 472 HD11 LEU 60 HD11 LEU 60 4.948 22.420 10.701 473 HD12 LEU 60 HD12 LEU 60 5.392 21.401 9.308 474 HD13 LEU 60 HD13 LEU 60 3.703 21.809 9.614 475 HD21 LEU 60 HD21 LEU 60 5.848 19.018 12.055 476 HD22 LEU 60 HD22 LEU 60 6.589 19.827 10.683 477 HD23 LEU 60 HD23 LEU 60 6.255 20.744 12.170 478 H ILE 61 H ILE 61 3.297 20.986 15.169 479 HA ILE 61 HA ILE 61 0.373 20.810 15.707 480 HB ILE 61 HB ILE 61 0.760 20.610 18.098 481 HG12 ILE 61 HG12 ILE 61 3.063 19.503 18.752 482 HG13 ILE 61 HG13 ILE 61 3.707 20.408 17.385 483 HG21 ILE 61 HG21 ILE 61 1.194 18.228 18.142 484 HG22 ILE 61 HG22 ILE 61 0.262 18.633 16.695 485 HG23 ILE 61 HG23 ILE 61 2.005 18.301 16.557 486 HD11 ILE 61 HD11 ILE 61 2.989 22.524 18.494 487 HD12 ILE 61 HD12 ILE 61 2.217 21.585 19.784 488 HD13 ILE 61 HD13 ILE 61 3.976 21.544 19.588 489 H GLU 62 H GLU 62 -0.540 22.606 16.759 490 HA GLU 62 HA GLU 62 0.709 25.139 16.152 491 HB2 GLU 62 HB2 GLU 62 -1.713 24.635 17.936 492 HB3 GLU 62 HB3 GLU 62 -1.217 26.139 17.187 493 HG2 GLU 62 HG2 GLU 62 -2.816 25.575 15.710 494 HG3 GLU 62 HG3 GLU 62 -1.473 24.777 14.910 495 H GLU 63 H GLU 63 2.021 26.394 17.334 496 HA GLU 63 HA GLU 63 2.989 25.454 19.931 497 HB2 GLU 63 HB2 GLU 63 4.642 27.133 19.759 498 HB3 GLU 63 HB3 GLU 63 4.474 26.341 18.206 499 HG2 GLU 63 HG2 GLU 63 4.331 28.329 17.231 500 HG3 GLU 63 HG3 GLU 63 2.778 28.600 18.013 501 H GLN 64 H GLN 64 0.571 27.708 18.908 502 HA GLN 64 HA GLN 64 0.099 28.596 21.729 503 HB2 GLN 64 HB2 GLN 64 -0.965 29.708 19.099 504 HB3 GLN 64 HB3 GLN 64 -1.496 30.240 20.697 505 HG2 GLN 64 HG2 GLN 64 1.348 30.464 19.625 506 HG3 GLN 64 HG3 GLN 64 0.164 31.765 19.724 507 HE21 GLN 64 HE21 GLN 64 2.847 30.593 21.307 508 HE22 GLN 64 HE22 GLN 64 2.457 31.189 22.926 509 H ASN 65 H ASN 65 -1.896 28.261 22.664 510 HA ASN 65 HA ASN 65 -3.768 26.333 21.321 511 HB2 ASN 65 HB2 ASN 65 -2.995 26.441 24.261 512 HB3 ASN 65 HB3 ASN 65 -4.160 25.342 23.545 513 HD21 ASN 65 HD21 ASN 65 -0.968 23.893 21.812 514 HD22 ASN 65 HD22 ASN 65 -2.027 25.110 21.121 515 H ARG 66 H ARG 66 -3.642 29.445 21.925 516 HA ARG 66 HA ARG 66 -6.072 29.982 23.466 517 HB2 ARG 66 HB2 ARG 66 -4.370 31.806 21.705 518 HB3 ARG 66 HB3 ARG 66 -5.687 32.327 22.755 519 HG2 ARG 66 HG2 ARG 66 -4.450 31.475 24.745 520 HG3 ARG 66 HG3 ARG 66 -3.118 30.969 23.689 521 HD2 ARG 66 HD2 ARG 66 -2.492 33.045 24.673 522 HD3 ARG 66 HD3 ARG 66 -2.821 33.339 22.954 523 HE ARG 66 HE ARG 66 -5.202 33.823 24.472 524 HH11 ARG 66 HH11 ARG 66 -2.078 35.312 23.951 525 HH12 ARG 66 HH12 ARG 66 -2.684 36.920 24.300 526 HH21 ARG 66 HH21 ARG 66 -5.910 35.876 24.877 527 HH22 ARG 66 HH22 ARG 66 -4.793 37.211 24.826 528 H1 GLY -3 H1 GLY -3 13.747 -2.690 -3.860 529 H2 GLY -3 H2 GLY -3 12.794 -3.201 -2.620 530 H3 GLY -3 H3 GLY -3 12.559 -3.797 -4.129 531 HA2 GLY -3 HA2 GLY -3 14.970 -4.243 -2.468 532 HA3 GLY -3 HA3 GLY -3 13.703 -5.431 -2.779 533 HA PRO -2 HA PRO -2 17.211 -4.325 -2.953 534 HB2 PRO -2 HB2 PRO -2 18.426 -2.835 -5.277 535 HB3 PRO -2 HB3 PRO -2 19.243 -3.704 -3.934 536 HG2 PRO -2 HG2 PRO -2 19.046 -4.854 -6.375 537 HG3 PRO -2 HG3 PRO -2 18.705 -5.831 -4.905 538 HD2 PRO -2 HD2 PRO -2 16.723 -4.452 -6.753 539 HD3 PRO -2 HD3 PRO -2 16.708 -6.132 -6.130 540 H GLY -1 H GLY -1 17.825 -2.219 -2.052 541 HA2 GLY -1 HA2 GLY -1 17.357 -0.029 -1.397 542 HA3 GLY -1 HA3 GLY -1 16.209 0.163 -2.717 543 H SER 0 H SER 0 16.266 0.443 0.399 544 HA SER 0 HA SER 0 13.479 -0.250 0.933 545 HB2 SER 0 HB2 SER 0 14.673 -2.435 1.316 546 HB3 SER 0 HB3 SER 0 15.670 -1.621 2.536 547 HG SER 0 HG SER 0 12.869 -2.097 2.503 548 H MET 1 H MET 1 12.726 0.756 2.908 549 HA MET 1 HA MET 1 14.087 3.200 3.632 550 HB2 MET 1 HB2 MET 1 11.722 1.845 4.987 551 HB3 MET 1 HB3 MET 1 12.293 3.475 5.315 552 HG2 MET 1 HG2 MET 1 11.868 4.065 2.910 553 HG3 MET 1 HG3 MET 1 11.196 2.450 2.683 554 HE1 MET 1 HE1 MET 1 10.744 5.985 4.211 555 HE2 MET 1 HE2 MET 1 9.223 5.872 5.115 556 HE3 MET 1 HE3 MET 1 10.691 5.074 5.738 557 H CYS 2 H CYS 2 14.826 3.875 5.718 558 HA CYS 2 HA CYS 2 15.622 1.817 7.678 559 HB2 CYS 2 HB2 CYS 2 17.431 1.992 5.926 560 HB3 CYS 2 HB3 CYS 2 17.629 3.693 6.370 561 HG CYS 2 HG CYS 2 18.076 0.918 8.144 562 H MET 3 H MET 3 16.092 2.646 9.729 563 HA MET 3 HA MET 3 14.515 4.870 10.554 564 HB2 MET 3 HB2 MET 3 16.516 3.080 11.983 565 HB3 MET 3 HB3 MET 3 15.662 4.383 12.787 566 HG2 MET 3 HG2 MET 3 14.388 2.485 13.261 567 HG3 MET 3 HG3 MET 3 13.479 3.397 12.062 568 HE1 MET 3 HE1 MET 3 16.494 0.725 11.818 569 HE2 MET 3 HE2 MET 3 15.318 0.166 13.034 570 HE3 MET 3 HE3 MET 3 15.517 -0.722 11.503 571 H ALA 4 H ALA 4 15.060 6.728 11.703 572 HA ALA 4 HA ALA 4 17.402 8.238 10.813 573 HB1 ALA 4 HB1 ALA 4 16.282 10.063 12.037 574 HB2 ALA 4 HB2 ALA 4 15.136 9.225 10.994 575 HB3 ALA 4 HB3 ALA 4 15.144 8.914 12.749 576 H LYS 5 H LYS 5 18.411 9.652 12.656 577 HA LYS 5 HA LYS 5 18.761 8.243 15.237 578 HB2 LYS 5 HB2 LYS 5 21.165 8.578 15.280 579 HB3 LYS 5 HB3 LYS 5 20.679 7.524 13.951 580 HG2 LYS 5 HG2 LYS 5 20.922 9.455 12.371 581 HG3 LYS 5 HG3 LYS 5 21.492 10.463 13.721 582 HD2 LYS 5 HD2 LYS 5 23.376 8.863 14.081 583 HD3 LYS 5 HD3 LYS 5 22.803 7.899 12.709 584 HE2 LYS 5 HE2 LYS 5 23.108 9.847 11.196 585 HE3 LYS 5 HE3 LYS 5 23.678 10.817 12.562 586 HZ1 LYS 5 HZ1 LYS 5 25.538 9.885 11.303 587 HZ2 LYS 5 HZ2 LYS 5 25.546 9.268 12.811 588 HZ3 LYS 5 HZ3 LYS 5 25.019 8.364 11.550 589 H VAL 6 H VAL 6 19.078 9.540 16.989 590 HA VAL 6 HA VAL 6 18.424 12.437 16.610 591 HB VAL 6 HB VAL 6 18.077 10.656 19.034 592 HG11 VAL 6 HG11 VAL 6 18.445 12.919 19.837 593 HG12 VAL 6 HG12 VAL 6 17.291 13.564 18.631 594 HG13 VAL 6 HG13 VAL 6 16.741 12.526 19.968 595 HG21 VAL 6 HG21 VAL 6 16.453 10.171 17.235 596 HG22 VAL 6 HG22 VAL 6 15.673 10.940 18.625 597 HG23 VAL 6 HG23 VAL 6 16.015 11.899 17.177 598 H VAL 7 H VAL 7 19.649 14.054 17.518 599 HA VAL 7 HA VAL 7 21.861 13.349 19.359 600 HB VAL 7 HB VAL 7 22.933 13.594 17.223 601 HG11 VAL 7 HG11 VAL 7 21.373 15.077 16.025 602 HG12 VAL 7 HG12 VAL 7 21.797 16.420 17.106 603 HG13 VAL 7 HG13 VAL 7 23.012 15.734 16.012 604 HG21 VAL 7 HG21 VAL 7 23.549 16.082 18.874 605 HG22 VAL 7 HG22 VAL 7 24.083 14.451 19.301 606 HG23 VAL 7 HG23 VAL 7 24.629 15.204 17.794 607 H LEU 8 H LEU 8 22.265 14.743 20.994 608 HA LEU 8 HA LEU 8 20.927 17.361 21.152 609 HB2 LEU 8 HB2 LEU 8 19.766 16.904 23.211 610 HB3 LEU 8 HB3 LEU 8 19.265 15.777 21.978 611 HG LEU 8 HG LEU 8 21.179 14.237 23.160 612 HD11 LEU 8 HD11 LEU 8 21.781 15.880 24.914 613 HD12 LEU 8 HD12 LEU 8 20.082 15.972 25.423 614 HD13 LEU 8 HD13 LEU 8 20.995 14.471 25.621 615 HD21 LEU 8 HD21 LEU 8 18.844 13.596 22.810 616 HD22 LEU 8 HD22 LEU 8 19.401 13.155 24.423 617 HD23 LEU 8 HD23 LEU 8 18.348 14.570 24.208 618 H THR 9 H THR 9 21.698 18.706 22.858 619 HA THR 9 HA THR 9 24.417 17.985 23.892 620 HB THR 9 HB THR 9 23.367 20.790 23.413 621 HG1 THR 9 HG1 THR 9 23.617 19.756 21.462 622 HG21 THR 9 HG21 THR 9 25.217 20.675 25.061 623 HG22 THR 9 HG22 THR 9 26.172 19.696 23.924 624 HG23 THR 9 HG23 THR 9 25.769 21.387 23.543 625 H LYS 10 H LYS 10 24.782 18.014 25.997 626 HA LYS 10 HA LYS 10 22.569 18.370 27.909 627 HB2 LYS 10 HB2 LYS 10 25.481 17.520 28.288 628 HB3 LYS 10 HB3 LYS 10 24.232 17.486 29.535 629 HG2 LYS 10 HG2 LYS 10 22.896 15.903 28.105 630 HG3 LYS 10 HG3 LYS 10 24.273 15.811 26.989 631 HD2 LYS 10 HD2 LYS 10 24.351 15.084 29.951 632 HD3 LYS 10 HD3 LYS 10 24.144 13.929 28.631 633 HE2 LYS 10 HE2 LYS 10 26.351 14.599 27.698 634 HE3 LYS 10 HE3 LYS 10 26.571 15.749 29.027 635 HZ1 LYS 10 HZ1 LYS 10 26.294 12.803 29.350 636 HZ2 LYS 10 HZ2 LYS 10 27.691 13.634 29.476 637 HZ3 LYS 10 HZ3 LYS 10 26.510 13.869 30.573 638 H ALA 11 H ALA 11 22.844 19.586 29.904 639 HA ALA 11 HA ALA 11 23.701 22.296 29.603 640 HB1 ALA 11 HB1 ALA 11 21.929 21.560 31.128 641 HB2 ALA 11 HB2 ALA 11 23.118 20.674 32.114 642 HB3 ALA 11 HB3 ALA 11 23.196 22.447 31.998 643 H ASP 12 H ASP 12 25.483 19.449 30.609 644 HA ASP 12 HA ASP 12 27.772 20.830 31.772 645 HB2 ASP 12 HB2 ASP 12 27.436 18.009 30.672 646 HB3 ASP 12 HB3 ASP 12 28.829 18.575 31.590 647 H GLY 13 H GLY 13 26.737 20.677 28.550 648 HA2 GLY 13 HA2 GLY 13 27.784 21.506 26.657 649 HA3 GLY 13 HA3 GLY 13 29.352 21.494 27.472 650 H GLY 14 H GLY 14 28.258 18.470 28.068 651 HA2 GLY 14 HA2 GLY 14 29.637 17.126 25.851 652 HA3 GLY 14 HA3 GLY 14 28.787 16.365 27.200 653 H ARG 15 H ARG 15 28.481 15.285 24.736 654 HA ARG 15 HA ARG 15 25.680 15.981 23.957 655 HB2 ARG 15 HB2 ARG 15 28.065 15.517 22.119 656 HB3 ARG 15 HB3 ARG 15 26.390 15.308 21.581 657 HG2 ARG 15 HG2 ARG 15 25.831 17.582 22.232 658 HG3 ARG 15 HG3 ARG 15 27.481 17.885 22.799 659 HD2 ARG 15 HD2 ARG 15 28.349 17.675 20.557 660 HD3 ARG 15 HD3 ARG 15 26.774 17.129 19.936 661 HE ARG 15 HE ARG 15 26.058 19.488 21.019 662 HH11 ARG 15 HH11 ARG 15 28.646 18.819 18.735 663 HH12 ARG 15 HH12 ARG 15 28.549 20.415 18.037 664 HH21 ARG 15 HH21 ARG 15 26.014 21.467 20.126 665 HH22 ARG 15 HH22 ARG 15 27.069 21.883 18.808 666 H VAL 16 H VAL 16 24.434 14.427 23.054 667 HA VAL 16 HA VAL 16 25.112 11.566 23.633 668 HB VAL 16 HB VAL 16 22.655 13.079 24.596 669 HG11 VAL 16 HG11 VAL 16 23.225 10.089 24.732 670 HG12 VAL 16 HG12 VAL 16 21.924 10.934 25.604 671 HG13 VAL 16 HG13 VAL 16 21.901 10.883 23.844 672 HG21 VAL 16 HG21 VAL 16 23.370 12.328 26.839 673 HG22 VAL 16 HG22 VAL 16 24.821 11.576 26.134 674 HG23 VAL 16 HG23 VAL 16 24.605 13.335 26.083 675 H GLU 17 H GLU 17 24.211 10.111 22.254 676 HA GLU 17 HA GLU 17 22.369 11.093 20.141 677 HB2 GLU 17 HB2 GLU 17 24.700 9.196 19.607 678 HB3 GLU 17 HB3 GLU 17 23.503 9.784 18.459 679 HG2 GLU 17 HG2 GLU 17 25.347 11.108 17.979 680 HG3 GLU 17 HG3 GLU 17 24.335 12.150 18.966 681 H ILE 18 H ILE 18 20.938 9.599 19.281 682 HA ILE 18 HA ILE 18 20.778 6.899 20.543 683 HB ILE 18 HB ILE 18 18.318 8.602 20.003 684 HG12 ILE 18 HG12 ILE 18 18.189 8.276 22.670 685 HG13 ILE 18 HG13 ILE 18 19.942 8.302 22.531 686 HG21 ILE 18 HG21 ILE 18 17.156 6.809 21.165 687 HG22 ILE 18 HG22 ILE 18 18.071 6.129 19.822 688 HG23 ILE 18 HG23 ILE 18 18.685 5.965 21.480 689 HD11 ILE 18 HD11 ILE 18 19.040 10.542 23.016 690 HD12 ILE 18 HD12 ILE 18 19.704 10.577 21.378 691 HD13 ILE 18 HD13 ILE 18 17.947 10.442 21.617 692 H GLY 19 H GLY 19 21.146 5.509 18.968 693 HA2 GLY 19 HA2 GLY 19 20.767 6.224 16.144 694 HA3 GLY 19 HA3 GLY 19 21.579 4.794 16.764 695 H ASP 20 H ASP 20 19.695 4.982 14.597 696 HA ASP 20 HA ASP 20 17.970 3.885 13.670 697 HB2 ASP 20 HB2 ASP 20 18.836 1.777 15.643 698 HB3 ASP 20 HB3 ASP 20 17.889 1.493 14.174 699 H VAL 21 H VAL 21 16.797 5.704 15.152 700 HA VAL 21 HA VAL 21 14.946 4.629 17.097 701 HB VAL 21 HB VAL 21 14.031 6.865 17.241 702 HG11 VAL 21 HG11 VAL 21 17.074 6.695 17.306 703 HG12 VAL 21 HG12 VAL 21 16.117 7.943 18.101 704 HG13 VAL 21 HG13 VAL 21 15.945 6.254 18.599 705 HG21 VAL 21 HG21 VAL 21 14.361 7.654 14.870 706 HG22 VAL 21 HG22 VAL 21 14.917 8.782 16.102 707 HG23 VAL 21 HG23 VAL 21 16.097 7.794 15.226 708 H LEU 22 H LEU 22 12.870 4.110 16.959 709 HA LEU 22 HA LEU 22 11.564 3.827 14.307 710 HB2 LEU 22 HB2 LEU 22 10.659 3.116 17.139 711 HB3 LEU 22 HB3 LEU 22 9.747 2.777 15.668 712 HG LEU 22 HG LEU 22 12.460 1.586 16.381 713 HD11 LEU 22 HD11 LEU 22 10.628 0.759 17.790 714 HD12 LEU 22 HD12 LEU 22 9.636 0.425 16.342 715 HD13 LEU 22 HD13 LEU 22 11.115 -0.500 16.645 716 HD21 LEU 22 HD21 LEU 22 12.057 0.057 14.484 717 HD22 LEU 22 HD22 LEU 22 10.577 0.964 14.057 718 HD23 LEU 22 HD23 LEU 22 12.180 1.730 13.926 719 H GLU 23 H GLU 23 11.410 5.918 17.175 720 HA GLU 23 HA GLU 23 9.590 7.767 15.821 721 HB2 GLU 23 HB2 GLU 23 8.092 6.018 16.691 722 HB3 GLU 23 HB3 GLU 23 8.736 6.239 18.324 723 HG2 GLU 23 HG2 GLU 23 7.818 8.496 18.425 724 HG3 GLU 23 HG3 GLU 23 7.357 8.433 16.717 725 H VAL 24 H VAL 24 9.549 9.791 16.684 726 HA VAL 24 HA VAL 24 10.787 10.338 19.330 727 HB VAL 24 HB VAL 24 11.322 12.055 16.905 728 HG11 VAL 24 HG11 VAL 24 12.489 12.149 19.705 729 HG12 VAL 24 HG12 VAL 24 13.008 13.145 18.332 730 HG13 VAL 24 HG13 VAL 24 11.383 13.322 18.994 731 HG21 VAL 24 HG21 VAL 24 13.668 11.321 17.015 732 HG22 VAL 24 HG22 VAL 24 13.213 10.056 18.177 733 HG23 VAL 24 HG23 VAL 24 12.569 10.036 16.522 734 H ARG 25 H ARG 25 9.703 11.851 20.504 735 HA ARG 25 HA ARG 25 7.280 13.218 19.367 736 HB2 ARG 25 HB2 ARG 25 7.469 11.748 22.028 737 HB3 ARG 25 HB3 ARG 25 6.057 12.592 21.397 738 HG2 ARG 25 HG2 ARG 25 5.869 10.932 19.562 739 HG3 ARG 25 HG3 ARG 25 7.300 10.088 20.182 740 HD2 ARG 25 HD2 ARG 25 6.133 9.737 22.359 741 HD3 ARG 25 HD3 ARG 25 4.675 10.471 21.670 742 HE ARG 25 HE ARG 25 5.191 8.517 19.853 743 HH11 ARG 25 HH11 ARG 25 4.722 8.320 23.325 744 HH12 ARG 25 HH12 ARG 25 4.368 6.614 23.257 745 HH21 ARG 25 HH21 ARG 25 4.962 6.340 19.868 746 HH22 ARG 25 HH22 ARG 25 4.421 5.536 21.326 747 H ALA 26 H ALA 26 6.913 15.263 20.122 748 HA ALA 26 HA ALA 26 8.540 16.266 22.426 749 HB1 ALA 26 HB1 ALA 26 8.328 18.504 21.446 750 HB2 ALA 26 HB2 ALA 26 9.107 17.387 20.313 751 HB3 ALA 26 HB3 ALA 26 7.399 17.831 20.081 752 H GLU 27 H GLU 27 7.492 17.094 24.138 753 HA GLU 27 HA GLU 27 4.515 17.485 24.012 754 HB2 GLU 27 HB2 GLU 27 4.292 16.577 26.212 755 HB3 GLU 27 HB3 GLU 27 5.032 15.397 25.126 756 HG2 GLU 27 HG2 GLU 27 7.218 15.739 26.132 757 HG3 GLU 27 HG3 GLU 27 6.640 17.117 27.067 758 H GLY 28 H GLY 28 6.831 19.332 23.735 759 HA2 GLY 28 HA2 GLY 28 7.124 21.601 24.104 760 HA3 GLY 28 HA3 GLY 28 5.783 21.580 25.255 761 H GLY 29 H GLY 29 6.500 20.044 27.280 762 HA2 GLY 29 HA2 GLY 29 8.737 21.391 28.609 763 HA3 GLY 29 HA3 GLY 29 7.654 20.170 29.290 764 H ALA 30 H ALA 30 8.541 18.511 26.700 765 HA ALA 30 HA ALA 30 11.307 17.789 27.276 766 HB1 ALA 30 HB1 ALA 30 10.808 15.498 28.062 767 HB2 ALA 30 HB2 ALA 30 10.060 16.667 29.161 768 HB3 ALA 30 HB3 ALA 30 9.062 15.827 27.964 769 H VAL 31 H VAL 31 12.072 16.018 25.976 770 HA VAL 31 HA VAL 31 10.366 15.224 23.649 771 HB VAL 31 HB VAL 31 13.375 15.567 23.744 772 HG11 VAL 31 HG11 VAL 31 13.097 13.471 22.549 773 HG12 VAL 31 HG12 VAL 31 11.730 14.135 21.614 774 HG13 VAL 31 HG13 VAL 31 13.364 14.747 21.362 775 HG21 VAL 31 HG21 VAL 31 11.930 17.540 23.190 776 HG22 VAL 31 HG22 VAL 31 12.964 17.054 21.847 777 HG23 VAL 31 HG23 VAL 31 11.234 16.639 21.846 778 H ARG 32 H ARG 32 10.231 13.088 23.141 779 HA ARG 32 HA ARG 32 11.587 11.055 24.862 780 HB2 ARG 32 HB2 ARG 32 8.616 11.138 24.173 781 HB3 ARG 32 HB3 ARG 32 9.447 9.713 24.815 782 HG2 ARG 32 HG2 ARG 32 10.025 10.901 26.866 783 HG3 ARG 32 HG3 ARG 32 9.368 12.404 26.228 784 HD2 ARG 32 HD2 ARG 32 7.793 11.515 27.764 785 HD3 ARG 32 HD3 ARG 32 7.115 11.381 26.126 786 HE ARG 32 HE ARG 32 8.463 8.923 26.806 787 HH11 ARG 32 HH11 ARG 32 7.470 7.196 27.323 788 HH12 ARG 32 HH12 ARG 32 5.804 7.159 27.918 789 HH21 ARG 32 HH21 ARG 32 5.511 10.619 27.681 790 HH22 ARG 32 HH22 ARG 32 4.695 9.134 28.100 791 H VAL 33 H VAL 33 12.011 9.087 23.837 792 HA VAL 33 HA VAL 33 11.434 8.788 20.965 793 HB VAL 33 HB VAL 33 13.117 10.117 20.414 794 HG11 VAL 33 HG11 VAL 33 15.210 10.556 21.550 795 HG12 VAL 33 HG12 VAL 33 13.840 10.922 22.565 796 HG13 VAL 33 HG13 VAL 33 14.750 9.419 22.848 797 HG21 VAL 33 HG21 VAL 33 13.806 7.921 19.524 798 HG22 VAL 33 HG22 VAL 33 15.176 8.999 19.840 799 HG23 VAL 33 HG23 VAL 33 14.823 7.668 20.957 800 H THR 34 H THR 34 11.706 6.825 20.101 801 HA THR 34 HA THR 34 12.356 4.584 21.998 802 HB THR 34 HB THR 34 10.110 4.701 19.960 803 HG1 THR 34 HG1 THR 34 9.664 5.890 21.789 804 HG21 THR 34 HG21 THR 34 10.861 2.384 20.183 805 HG22 THR 34 HG22 THR 34 10.912 2.536 21.954 806 HG23 THR 34 HG23 THR 34 9.362 2.592 21.083 807 H THR 35 H THR 35 13.541 2.935 21.306 808 HA THR 35 HA THR 35 14.739 3.055 18.571 809 HB THR 35 HB THR 35 16.534 1.714 19.442 810 HG1 THR 35 HG1 THR 35 15.189 1.821 21.936 811 HG21 THR 35 HG21 THR 35 16.734 4.130 19.788 812 HG22 THR 35 HG22 THR 35 15.959 3.985 21.383 813 HG23 THR 35 HG23 THR 35 17.529 3.212 21.083 814 H LEU 36 H LEU 36 15.336 1.009 17.514 815 HA LEU 36 HA LEU 36 13.221 -0.888 17.318 816 HB2 LEU 36 HB2 LEU 36 14.449 -1.902 15.662 817 HB3 LEU 36 HB3 LEU 36 14.951 -0.228 15.554 818 HG LEU 36 HG LEU 36 16.536 -2.542 16.801 819 HD11 LEU 36 HD11 LEU 36 17.057 -0.900 14.295 820 HD12 LEU 36 HD12 LEU 36 18.019 -2.263 14.913 821 HD13 LEU 36 HD13 LEU 36 16.365 -2.536 14.330 822 HD21 LEU 36 HD21 LEU 36 17.257 0.401 16.501 823 HD22 LEU 36 HD22 LEU 36 17.175 -0.526 18.012 824 HD23 LEU 36 HD23 LEU 36 18.433 -0.876 16.827 825 H PHE 37 H PHE 37 15.627 -0.705 19.743 826 HA PHE 37 HA PHE 37 15.756 -3.561 20.365 827 HB2 PHE 37 HB2 PHE 37 16.588 -1.184 22.058 828 HB3 PHE 37 HB3 PHE 37 17.093 -2.851 22.250 829 HD1 PHE 37 HD1 PHE 37 18.192 -3.903 19.961 830 HD2 PHE 37 HD2 PHE 37 18.175 0.256 21.105 831 HE1 PHE 37 HE1 PHE 37 20.175 -3.487 18.519 832 HE2 PHE 37 HE2 PHE 37 20.169 0.656 19.684 833 HZ PHE 37 HZ PHE 37 21.172 -1.213 18.388 834 H ASP 38 H ASP 38 13.207 -1.532 20.609 835 HA ASP 38 HA ASP 38 11.415 -1.181 21.882 836 HB2 ASP 38 HB2 ASP 38 11.273 -3.708 21.734 837 HB3 ASP 38 HB3 ASP 38 11.947 -3.762 23.362 838 H GLU 39 H GLU 39 14.056 -0.227 22.702 839 HA GLU 39 HA GLU 39 13.611 0.362 25.596 840 HB2 GLU 39 HB2 GLU 39 15.839 -0.518 24.952 841 HB3 GLU 39 HB3 GLU 39 16.048 0.835 23.855 842 HG2 GLU 39 HG2 GLU 39 17.299 1.338 25.794 843 HG3 GLU 39 HG3 GLU 39 15.918 2.420 25.771 844 H GLU 40 H GLU 40 13.097 2.367 26.277 845 HA GLU 40 HA GLU 40 12.765 4.537 24.256 846 HB2 GLU 40 HB2 GLU 40 10.662 3.487 24.742 847 HB3 GLU 40 HB3 GLU 40 10.862 3.689 26.474 848 HG2 GLU 40 HG2 GLU 40 10.913 6.136 24.693 849 HG3 GLU 40 HG3 GLU 40 9.394 5.296 24.916 850 H HIS 41 H HIS 41 13.121 6.604 24.859 851 HA HIS 41 HA HIS 41 14.599 7.120 27.410 852 HB2 HIS 41 HB2 HIS 41 15.259 8.256 24.681 853 HB3 HIS 41 HB3 HIS 41 16.185 8.420 26.152 854 HD2 HIS 41 HD2 HIS 41 15.655 6.143 23.176 855 HE1 HIS 41 HE1 HIS 41 18.543 4.160 25.618 856 HE2 HIS 41 HE2 HIS 41 17.389 4.152 23.355 857 H ALA 42 H ALA 42 14.599 9.320 28.131 858 HA ALA 42 HA ALA 42 12.658 11.186 26.929 859 HB1 ALA 42 HB1 ALA 42 11.540 11.561 29.065 860 HB2 ALA 42 HB2 ALA 42 11.396 9.856 28.608 861 HB3 ALA 42 HB3 ALA 42 12.573 10.340 29.845 862 H PHE 43 H PHE 43 13.177 13.282 27.134 863 HA PHE 43 HA PHE 43 15.555 14.123 28.725 864 HB2 PHE 43 HB2 PHE 43 15.093 14.655 25.778 865 HB3 PHE 43 HB3 PHE 43 16.439 15.242 26.752 866 HD1 PHE 43 HD1 PHE 43 15.194 12.568 24.674 867 HD2 PHE 43 HD2 PHE 43 18.016 13.464 27.812 868 HE1 PHE 43 HE1 PHE 43 16.463 10.495 24.144 869 HE2 PHE 43 HE2 PHE 43 19.280 11.396 27.274 870 HZ PHE 43 HZ PHE 43 18.481 9.891 25.460 871 HA PRO 44 HA PRO 44 12.218 17.187 29.446 872 HB2 PRO 44 HB2 PRO 44 13.906 17.616 31.880 873 HB3 PRO 44 HB3 PRO 44 12.122 17.538 31.732 874 HG2 PRO 44 HG2 PRO 44 13.505 15.425 32.712 875 HG3 PRO 44 HG3 PRO 44 12.175 15.154 31.530 876 HD2 PRO 44 HD2 PRO 44 15.158 15.264 30.987 877 HD3 PRO 44 HD3 PRO 44 13.951 14.060 30.443 878 H GLY 45 H GLY 45 12.164 19.390 29.261 879 HA2 GLY 45 HA2 GLY 45 12.859 21.570 28.980 880 HA3 GLY 45 HA3 GLY 45 14.524 21.114 29.343 881 H LEU 46 H LEU 46 13.481 19.055 26.895 882 HA LEU 46 HA LEU 46 14.641 20.780 24.765 883 HB2 LEU 46 HB2 LEU 46 14.309 17.761 24.854 884 HB3 LEU 46 HB3 LEU 46 15.052 18.689 23.554 885 HG LEU 46 HG LEU 46 16.131 18.342 26.381 886 HD11 LEU 46 HD11 LEU 46 17.929 17.157 25.272 887 HD12 LEU 46 HD12 LEU 46 16.399 16.455 24.729 888 HD13 LEU 46 HD13 LEU 46 17.281 17.562 23.668 889 HD21 LEU 46 HD21 LEU 46 17.257 19.993 24.077 890 HD22 LEU 46 HD22 LEU 46 16.733 20.610 25.661 891 HD23 LEU 46 HD23 LEU 46 18.148 19.557 25.564 892 H ALA 47 H ALA 47 13.869 20.619 22.664 893 HA ALA 47 HA ALA 47 11.236 19.451 22.076 894 HB1 ALA 47 HB1 ALA 47 10.527 21.496 20.853 895 HB2 ALA 47 HB2 ALA 47 10.708 21.801 22.599 896 HB3 ALA 47 HB3 ALA 47 11.961 22.347 21.454 897 H ILE 48 H ILE 48 10.984 19.141 19.700 898 HA ILE 48 HA ILE 48 13.483 18.316 18.432 899 HB ILE 48 HB ILE 48 10.658 18.411 17.318 900 HG12 ILE 48 HG12 ILE 48 12.195 15.917 18.148 901 HG13 ILE 48 HG13 ILE 48 11.216 16.804 19.313 902 HG21 ILE 48 HG21 ILE 48 11.595 16.834 15.577 903 HG22 ILE 48 HG22 ILE 48 12.281 18.456 15.478 904 HG23 ILE 48 HG23 ILE 48 13.216 17.135 16.214 905 HD11 ILE 48 HD11 ILE 48 9.859 15.022 18.437 906 HD12 ILE 48 HD12 ILE 48 9.219 16.550 17.808 907 HD13 ILE 48 HD13 ILE 48 10.196 15.487 16.759 908 H GLY 49 H GLY 49 14.844 19.568 17.352 909 HA2 GLY 49 HA2 GLY 49 14.114 22.346 16.680 910 HA3 GLY 49 HA3 GLY 49 15.733 21.621 16.698 911 H ARG 50 H ARG 50 15.533 19.499 15.010 912 HA ARG 50 HA ARG 50 14.272 20.298 12.479 913 HB2 ARG 50 HB2 ARG 50 16.256 20.536 11.166 914 HB3 ARG 50 HB3 ARG 50 16.420 21.612 12.545 915 HG2 ARG 50 HG2 ARG 50 18.458 20.701 12.878 916 HG3 ARG 50 HG3 ARG 50 17.627 19.273 13.447 917 HD2 ARG 50 HD2 ARG 50 19.145 18.448 11.857 918 HD3 ARG 50 HD3 ARG 50 17.596 18.430 11.035 919 HE ARG 50 HE ARG 50 18.262 20.318 9.679 920 HH11 ARG 50 HH11 ARG 50 20.938 19.425 11.806 921 HH12 ARG 50 HH12 ARG 50 22.067 20.302 10.813 922 HH21 ARG 50 HH21 ARG 50 19.673 21.289 8.542 923 HH22 ARG 50 HH22 ARG 50 21.382 21.364 8.968 924 H VAL 51 H VAL 51 14.456 18.824 10.789 925 HA VAL 51 HA VAL 51 15.426 16.061 11.386 926 HB VAL 51 HB VAL 51 12.821 16.677 9.932 927 HG11 VAL 51 HG11 VAL 51 12.490 14.227 10.102 928 HG12 VAL 51 HG12 VAL 51 13.960 14.608 9.198 929 HG13 VAL 51 HG13 VAL 51 14.068 14.055 10.874 930 HG21 VAL 51 HG21 VAL 51 13.208 15.660 12.778 931 HG22 VAL 51 HG22 VAL 51 12.408 17.163 12.268 932 HG23 VAL 51 HG23 VAL 51 11.676 15.613 11.859 933 H ASP 52 H ASP 52 17.124 15.884 9.994 934 HA ASP 52 HA ASP 52 16.987 17.141 7.281 935 HB2 ASP 52 HB2 ASP 52 18.864 17.821 8.642 936 HB3 ASP 52 HB3 ASP 52 19.309 16.136 8.963 937 H LEU 53 H LEU 53 16.003 15.712 5.904 938 HA LEU 53 HA LEU 53 16.290 12.826 6.192 939 HB2 LEU 53 HB2 LEU 53 14.915 14.450 4.022 940 HB3 LEU 53 HB3 LEU 53 14.843 12.710 4.211 941 HG LEU 53 HG LEU 53 12.808 13.518 4.990 942 HD11 LEU 53 HD11 LEU 53 12.718 12.816 7.337 943 HD12 LEU 53 HD12 LEU 53 13.794 11.757 6.405 944 HD13 LEU 53 HD13 LEU 53 14.463 12.991 7.496 945 HD21 LEU 53 HD21 LEU 53 14.108 15.420 6.954 946 HD22 LEU 53 HD22 LEU 53 13.418 15.894 5.391 947 HD23 LEU 53 HD23 LEU 53 12.387 15.192 6.648 948 H ARG 54 H ARG 54 18.192 15.185 4.627 949 HA ARG 54 HA ARG 54 19.281 13.557 2.481 950 HB2 ARG 54 HB2 ARG 54 20.704 15.775 3.986 951 HB3 ARG 54 HB3 ARG 54 21.032 15.211 2.355 952 HG2 ARG 54 HG2 ARG 54 18.839 16.151 1.595 953 HG3 ARG 54 HG3 ARG 54 18.532 16.720 3.242 954 HD2 ARG 54 HD2 ARG 54 20.887 17.867 3.021 955 HD3 ARG 54 HD3 ARG 54 20.656 17.632 1.292 956 HE ARG 54 HE ARG 54 19.035 19.314 1.281 957 HH11 ARG 54 HH11 ARG 54 19.425 18.434 4.714 958 HH12 ARG 54 HH12 ARG 54 18.939 20.062 5.176 959 HH21 ARG 54 HH21 ARG 54 18.221 21.251 2.162 960 HH22 ARG 54 HH22 ARG 54 18.185 21.414 3.915 961 H SER 55 H SER 55 19.901 13.738 5.912 962 HA SER 55 HA SER 55 22.118 11.712 5.698 963 HB2 SER 55 HB2 SER 55 23.167 12.762 7.602 964 HB3 SER 55 HB3 SER 55 22.903 13.979 6.341 965 HG SER 55 HG SER 55 21.537 15.002 7.608 966 H GLY 56 H GLY 56 19.035 12.385 7.150 967 HA2 GLY 56 HA2 GLY 56 17.677 10.955 8.373 968 HA3 GLY 56 HA3 GLY 56 19.004 9.824 8.601 969 H VAL 57 H VAL 57 19.735 13.165 9.393 970 HA VAL 57 HA VAL 57 19.888 12.441 12.253 971 HB VAL 57 HB VAL 57 20.952 14.823 10.716 972 HG11 VAL 57 HG11 VAL 57 21.197 14.144 13.689 973 HG12 VAL 57 HG12 VAL 57 22.182 15.351 12.840 974 HG13 VAL 57 HG13 VAL 57 20.443 15.592 12.998 975 HG21 VAL 57 HG21 VAL 57 22.320 12.485 12.141 976 HG22 VAL 57 HG22 VAL 57 22.162 12.666 10.376 977 HG23 VAL 57 HG23 VAL 57 23.143 13.819 11.297 978 H ILE 58 H ILE 58 18.428 12.913 13.642 979 HA ILE 58 HA ILE 58 16.593 15.270 13.397 980 HB ILE 58 HB ILE 58 16.572 12.783 15.138 981 HG12 ILE 58 HG12 ILE 58 14.473 13.790 13.178 982 HG13 ILE 58 HG13 ILE 58 15.707 12.603 12.765 983 HG21 ILE 58 HG21 ILE 58 14.459 13.692 16.161 984 HG22 ILE 58 HG22 ILE 58 15.864 14.650 16.571 985 HG23 ILE 58 HG23 ILE 58 14.750 15.227 15.309 986 HD11 ILE 58 HD11 ILE 58 14.826 11.103 14.590 987 HD12 ILE 58 HD12 ILE 58 13.453 12.228 14.769 988 HD13 ILE 58 HD13 ILE 58 13.723 11.401 13.232 989 H SER 59 H SER 59 17.027 17.024 14.683 990 HA SER 59 HA SER 59 19.129 16.707 16.819 991 HB2 SER 59 HB2 SER 59 19.946 17.904 14.731 992 HB3 SER 59 HB3 SER 59 18.820 19.206 15.173 993 HG SER 59 HG SER 59 20.926 19.527 16.038 994 H LEU 60 H LEU 60 18.643 17.442 18.756 995 HA LEU 60 HA LEU 60 16.016 18.787 19.183 996 HB2 LEU 60 HB2 LEU 60 17.790 17.485 21.247 997 HB3 LEU 60 HB3 LEU 60 16.126 18.012 21.431 998 HG LEU 60 HG LEU 60 17.158 15.662 19.799 999 HD11 LEU 60 HD11 LEU 60 17.011 15.337 22.234 1000 HD12 LEU 60 HD12 LEU 60 15.324 15.864 22.220 1001 HD13 LEU 60 HD13 LEU 60 15.809 14.357 21.393 1002 HD21 LEU 60 HD21 LEU 60 14.763 15.125 19.325 1003 HD22 LEU 60 HD22 LEU 60 14.296 16.695 20.017 1004 HD23 LEU 60 HD23 LEU 60 15.263 16.623 18.540 1005 H ILE 61 H ILE 61 15.767 20.541 20.511 1006 HA ILE 61 HA ILE 61 18.157 22.169 21.244 1007 HB ILE 61 HB ILE 61 17.047 24.200 20.390 1008 HG12 ILE 61 HG12 ILE 61 15.377 23.802 18.446 1009 HG13 ILE 61 HG13 ILE 61 14.973 22.289 19.232 1010 HG21 ILE 61 HG21 ILE 61 17.689 23.896 18.077 1011 HG22 ILE 61 HG22 ILE 61 18.816 23.022 19.127 1012 HG23 ILE 61 HG23 ILE 61 17.569 22.137 18.225 1013 HD11 ILE 61 HD11 ILE 61 13.425 24.140 19.768 1014 HD12 ILE 61 HD12 ILE 61 14.210 23.538 21.232 1015 HD13 ILE 61 HD13 ILE 61 14.759 25.064 20.490 1016 H GLU 62 H GLU 62 17.649 23.900 22.823 1017 HA GLU 62 HA GLU 62 15.964 22.852 24.960 1018 HB2 GLU 62 HB2 GLU 62 17.430 25.509 24.724 1019 HB3 GLU 62 HB3 GLU 62 16.588 24.905 26.164 1020 HG2 GLU 62 HG2 GLU 62 18.105 22.933 26.206 1021 HG3 GLU 62 HG3 GLU 62 18.961 23.559 24.796 1022 H GLU 63 H GLU 63 13.932 23.371 25.553 1023 HA GLU 63 HA GLU 63 12.254 24.647 23.581 1024 HB2 GLU 63 HB2 GLU 63 10.438 23.850 24.884 1025 HB3 GLU 63 HB3 GLU 63 11.681 22.637 24.861 1026 HG2 GLU 63 HG2 GLU 63 11.354 22.443 27.046 1027 HG3 GLU 63 HG3 GLU 63 12.382 23.862 27.199 1028 H GLN 64 H GLN 64 13.717 25.882 26.488 1029 HA GLN 64 HA GLN 64 12.442 28.551 25.985 1030 HB2 GLN 64 HB2 GLN 64 13.684 27.536 28.566 1031 HB3 GLN 64 HB3 GLN 64 13.133 29.181 28.276 1032 HG2 GLN 64 HG2 GLN 64 11.380 26.688 28.300 1033 HG3 GLN 64 HG3 GLN 64 11.503 27.880 29.577 1034 HE21 GLN 64 HE21 GLN 64 9.524 26.943 27.071 1035 HE22 GLN 64 HE22 GLN 64 8.766 28.495 26.737 1036 H ASN 65 H ASN 65 13.817 30.300 25.758 1037 HA ASN 65 HA ASN 65 16.763 29.786 25.520 1038 HB2 ASN 65 HB2 ASN 65 15.022 31.430 23.643 1039 HB3 ASN 65 HB3 ASN 65 16.775 31.267 23.546 1040 HD21 ASN 65 HD21 ASN 65 16.171 28.165 24.251 1041 HD22 ASN 65 HD22 ASN 65 15.796 27.571 22.651 1042 H ARG 66 H ARG 66 15.426 30.722 27.816 1043 HA ARG 66 HA ARG 66 16.593 33.392 28.277 1044 HB2 ARG 66 HB2 ARG 66 14.444 34.286 29.152 1045 HB3 ARG 66 HB3 ARG 66 14.431 34.008 27.419 1046 HG2 ARG 66 HG2 ARG 66 13.162 31.903 27.747 1047 HG3 ARG 66 HG3 ARG 66 13.178 32.151 29.498 1048 HD2 ARG 66 HD2 ARG 66 11.857 34.176 29.272 1049 HD3 ARG 66 HD3 ARG 66 11.955 34.082 27.500 1050 HE ARG 66 HE ARG 66 10.874 31.636 28.305 1051 HH11 ARG 66 HH11 ARG 66 9.791 34.974 28.520 1052 HH12 ARG 66 HH12 ARG 66 8.118 34.500 28.441 1053 HH21 ARG 66 HH21 ARG 66 8.835 31.129 28.234 1054 HH22 ARG 66 HH22 ARG 66 7.565 32.347 28.292 Start of MODEL 2 1 H1 GLY -3 H1 GLY -3 -1.997 0.948 -4.586 2 H2 GLY -3 H2 GLY -3 -2.120 -0.638 -4.200 3 H3 GLY -3 H3 GLY -3 -0.881 -0.112 -5.141 4 HA2 GLY -3 HA2 GLY -3 -1.314 0.578 -2.312 5 HA3 GLY -3 HA3 GLY -3 -0.093 -0.557 -2.910 6 HA PRO -2 HA PRO -2 1.274 4.041 -2.981 7 HB2 PRO -2 HB2 PRO -2 2.425 4.474 -0.554 8 HB3 PRO -2 HB3 PRO -2 0.655 4.570 -0.809 9 HG2 PRO -2 HG2 PRO -2 2.251 2.204 0.233 10 HG3 PRO -2 HG3 PRO -2 0.798 2.969 0.958 11 HD2 PRO -2 HD2 PRO -2 0.621 0.763 -0.627 12 HD3 PRO -2 HD3 PRO -2 -0.626 2.053 -0.678 13 H GLY -1 H GLY -1 2.913 1.044 -2.239 14 HA2 GLY -1 HA2 GLY -1 5.004 0.273 -2.905 15 HA3 GLY -1 HA3 GLY -1 5.338 1.828 -3.657 16 H SER 0 H SER 0 7.498 1.317 -2.724 17 HA SER 0 HA SER 0 7.998 1.311 0.108 18 HB2 SER 0 HB2 SER 0 9.521 0.339 -1.553 19 HB3 SER 0 HB3 SER 0 9.890 1.957 -2.182 20 HG SER 0 HG SER 0 10.890 2.484 -0.285 21 H MET 1 H MET 1 8.571 2.905 1.525 22 HA MET 1 HA MET 1 7.947 5.686 0.944 23 HB2 MET 1 HB2 MET 1 8.600 6.107 3.245 24 HB3 MET 1 HB3 MET 1 7.495 4.738 3.142 25 HG2 MET 1 HG2 MET 1 9.325 3.160 3.419 26 HG3 MET 1 HG3 MET 1 10.520 4.462 3.397 27 HE1 MET 1 HE1 MET 1 10.261 6.135 6.834 28 HE2 MET 1 HE2 MET 1 11.264 5.834 5.394 29 HE3 MET 1 HE3 MET 1 9.732 6.707 5.234 30 H CYS 2 H CYS 2 9.359 7.480 1.149 31 HA CYS 2 HA CYS 2 12.264 7.103 1.098 32 HB2 CYS 2 HB2 CYS 2 11.547 6.868 -1.299 33 HB3 CYS 2 HB3 CYS 2 10.830 8.486 -1.219 34 HG CYS 2 HG CYS 2 13.983 7.498 -0.841 35 H MET 3 H MET 3 13.328 8.882 1.906 36 HA MET 3 HA MET 3 13.575 10.553 3.430 37 HB2 MET 3 HB2 MET 3 11.771 12.078 1.540 38 HB3 MET 3 HB3 MET 3 12.909 12.750 2.707 39 HG2 MET 3 HG2 MET 3 14.795 12.148 1.490 40 HG3 MET 3 HG3 MET 3 13.932 10.958 0.513 41 HE1 MET 3 HE1 MET 3 11.879 12.960 -2.008 42 HE2 MET 3 HE2 MET 3 12.759 11.436 -1.746 43 HE3 MET 3 HE3 MET 3 11.491 11.944 -0.616 44 H ALA 4 H ALA 4 10.841 12.502 3.325 45 HA ALA 4 HA ALA 4 9.198 10.887 5.158 46 HB1 ALA 4 HB1 ALA 4 9.131 12.719 6.836 47 HB2 ALA 4 HB2 ALA 4 10.755 12.072 6.657 48 HB3 ALA 4 HB3 ALA 4 10.333 13.623 5.905 49 H LYS 5 H LYS 5 7.187 11.980 5.718 50 HA LYS 5 HA LYS 5 6.187 13.993 3.759 51 HB2 LYS 5 HB2 LYS 5 4.006 12.877 3.733 52 HB3 LYS 5 HB3 LYS 5 5.295 11.898 3.033 53 HG2 LYS 5 HG2 LYS 5 5.417 10.560 5.151 54 HG3 LYS 5 HG3 LYS 5 4.058 11.505 5.796 55 HD2 LYS 5 HD2 LYS 5 2.633 10.710 3.946 56 HD3 LYS 5 HD3 LYS 5 4.013 9.832 3.235 57 HE2 LYS 5 HE2 LYS 5 4.167 8.475 5.326 58 HE3 LYS 5 HE3 LYS 5 2.747 9.327 5.968 59 HZ1 LYS 5 HZ1 LYS 5 2.118 7.213 4.958 60 HZ2 LYS 5 HZ2 LYS 5 1.448 8.431 4.110 61 HZ3 LYS 5 HZ3 LYS 5 2.756 7.647 3.520 62 H VAL 6 H VAL 6 5.099 15.617 4.542 63 HA VAL 6 HA VAL 6 5.023 15.973 7.508 64 HB VAL 6 HB VAL 6 5.369 17.857 5.185 65 HG11 VAL 6 HG11 VAL 6 3.754 19.049 6.542 66 HG12 VAL 6 HG12 VAL 6 4.663 18.674 8.022 67 HG13 VAL 6 HG13 VAL 6 5.335 19.764 6.790 68 HG21 VAL 6 HG21 VAL 6 7.374 18.502 6.333 69 HG22 VAL 6 HG22 VAL 6 6.924 17.578 7.777 70 HG23 VAL 6 HG23 VAL 6 7.348 16.729 6.273 71 H VAL 7 H VAL 7 3.216 16.510 8.585 72 HA VAL 7 HA VAL 7 0.842 17.471 7.103 73 HB VAL 7 HB VAL 7 0.373 15.133 7.403 74 HG11 VAL 7 HG11 VAL 7 1.815 14.560 9.314 75 HG12 VAL 7 HG12 VAL 7 0.798 15.529 10.396 76 HG13 VAL 7 HG13 VAL 7 0.144 14.078 9.611 77 HG21 VAL 7 HG21 VAL 7 -1.746 15.243 8.491 78 HG22 VAL 7 HG22 VAL 7 -1.267 16.654 9.474 79 HG23 VAL 7 HG23 VAL 7 -1.481 16.812 7.715 80 H LEU 8 H LEU 8 -0.353 19.004 8.091 81 HA LEU 8 HA LEU 8 0.154 19.858 10.861 82 HB2 LEU 8 HB2 LEU 8 0.954 22.045 10.259 83 HB3 LEU 8 HB3 LEU 8 2.039 20.846 9.605 84 HG LEU 8 HG LEU 8 -0.085 21.684 7.695 85 HD11 LEU 8 HD11 LEU 8 2.012 23.697 8.557 86 HD12 LEU 8 HD12 LEU 8 0.902 23.847 7.177 87 HD13 LEU 8 HD13 LEU 8 0.257 23.838 8.822 88 HD21 LEU 8 HD21 LEU 8 1.831 21.877 6.147 89 HD22 LEU 8 HD22 LEU 8 2.956 21.589 7.491 90 HD23 LEU 8 HD23 LEU 8 1.825 20.315 6.985 91 H THR 9 H THR 9 -1.082 21.860 11.389 92 HA THR 9 HA THR 9 -3.476 22.374 9.686 93 HB THR 9 HB THR 9 -3.491 22.451 12.718 94 HG1 THR 9 HG1 THR 9 -3.443 20.340 12.006 95 HG21 THR 9 HG21 THR 9 -5.676 22.765 10.615 96 HG22 THR 9 HG22 THR 9 -5.971 22.603 12.365 97 HG23 THR 9 HG23 THR 9 -5.105 24.011 11.749 98 H LYS 10 H LYS 10 -3.622 24.428 9.052 99 HA LYS 10 HA LYS 10 -1.626 26.423 9.786 100 HB2 LYS 10 HB2 LYS 10 -4.164 26.524 8.125 101 HB3 LYS 10 HB3 LYS 10 -3.012 27.850 8.243 102 HG2 LYS 10 HG2 LYS 10 -1.232 26.411 7.265 103 HG3 LYS 10 HG3 LYS 10 -2.398 25.088 7.082 104 HD2 LYS 10 HD2 LYS 10 -2.760 27.860 5.878 105 HD3 LYS 10 HD3 LYS 10 -2.003 26.524 5.003 106 HE2 LYS 10 HE2 LYS 10 -3.986 25.277 4.863 107 HE3 LYS 10 HE3 LYS 10 -4.745 26.121 6.217 108 HZ1 LYS 10 HZ1 LYS 10 -5.044 28.056 4.910 109 HZ2 LYS 10 HZ2 LYS 10 -4.206 27.441 3.625 110 HZ3 LYS 10 HZ3 LYS 10 -5.652 26.809 4.059 111 H ALA 11 H ALA 11 -2.188 28.617 10.422 112 HA ALA 11 HA ALA 11 -3.733 28.848 12.813 113 HB1 ALA 11 HB1 ALA 11 -2.740 30.998 10.885 114 HB2 ALA 11 HB2 ALA 11 -3.256 31.252 12.571 115 HB3 ALA 11 HB3 ALA 11 -1.813 30.278 12.232 116 H ASP 12 H ASP 12 -4.753 29.162 9.447 117 HA ASP 12 HA ASP 12 -7.320 30.429 10.084 118 HB2 ASP 12 HB2 ASP 12 -7.768 30.300 7.744 119 HB3 ASP 12 HB3 ASP 12 -6.148 30.921 7.993 120 H GLY 13 H GLY 13 -6.226 27.347 10.646 121 HA2 GLY 13 HA2 GLY 13 -7.426 25.605 11.581 122 HA3 GLY 13 HA3 GLY 13 -8.940 26.262 10.971 123 H GLY 14 H GLY 14 -7.028 26.218 8.263 124 HA2 GLY 14 HA2 GLY 14 -8.156 23.701 7.236 125 HA3 GLY 14 HA3 GLY 14 -7.169 24.867 6.359 126 H ARG 15 H ARG 15 -7.048 21.789 6.881 127 HA ARG 15 HA ARG 15 -4.303 21.502 7.948 128 HB2 ARG 15 HB2 ARG 15 -6.132 19.362 6.806 129 HB3 ARG 15 HB3 ARG 15 -4.568 19.136 7.601 130 HG2 ARG 15 HG2 ARG 15 -5.772 20.511 9.575 131 HG3 ARG 15 HG3 ARG 15 -7.221 19.879 8.809 132 HD2 ARG 15 HD2 ARG 15 -4.854 18.306 9.908 133 HD3 ARG 15 HD3 ARG 15 -6.456 18.429 10.635 134 HE ARG 15 HE ARG 15 -6.844 17.390 8.034 135 HH11 ARG 15 HH11 ARG 15 -5.282 16.316 10.984 136 HH12 ARG 15 HH12 ARG 15 -5.490 14.628 10.590 137 HH21 ARG 15 HH21 ARG 15 -7.054 15.223 7.574 138 HH22 ARG 15 HH22 ARG 15 -6.477 14.032 8.711 139 H VAL 16 H VAL 16 -2.582 20.598 6.857 140 HA VAL 16 HA VAL 16 -2.583 20.638 3.876 141 HB VAL 16 HB VAL 16 -0.613 22.164 5.613 142 HG11 VAL 16 HG11 VAL 16 0.461 22.851 3.491 143 HG12 VAL 16 HG12 VAL 16 0.643 21.127 3.791 144 HG13 VAL 16 HG13 VAL 16 -0.570 21.699 2.613 145 HG21 VAL 16 HG21 VAL 16 -2.660 23.443 5.238 146 HG22 VAL 16 HG22 VAL 16 -1.318 24.130 4.317 147 HG23 VAL 16 HG23 VAL 16 -2.542 23.145 3.485 148 H GLU 17 H GLU 17 -1.285 19.162 2.941 149 HA GLU 17 HA GLU 17 0.495 17.444 4.599 150 HB2 GLU 17 HB2 GLU 17 -1.618 16.492 2.631 151 HB3 GLU 17 HB3 GLU 17 -0.321 15.479 3.296 152 HG2 GLU 17 HG2 GLU 17 -1.174 15.918 5.593 153 HG3 GLU 17 HG3 GLU 17 -2.530 16.826 4.914 154 H ILE 18 H ILE 18 2.398 16.926 3.630 155 HA ILE 18 HA ILE 18 2.874 17.660 0.760 156 HB ILE 18 HB ILE 18 4.536 18.581 3.121 157 HG12 ILE 18 HG12 ILE 18 3.152 20.427 1.139 158 HG13 ILE 18 HG13 ILE 18 2.336 19.885 2.595 159 HG21 ILE 18 HG21 ILE 18 5.929 19.776 1.444 160 HG22 ILE 18 HG22 ILE 18 5.964 18.040 1.166 161 HG23 ILE 18 HG23 ILE 18 4.955 19.078 0.139 162 HD11 ILE 18 HD11 ILE 18 3.306 22.050 2.995 163 HD12 ILE 18 HD12 ILE 18 4.068 20.833 4.030 164 HD13 ILE 18 HD13 ILE 18 4.920 21.450 2.597 165 H GLY 19 H GLY 19 3.867 16.057 -0.288 166 HA2 GLY 19 HA2 GLY 19 5.272 13.886 1.196 167 HA3 GLY 19 HA3 GLY 19 4.694 13.826 -0.464 168 H ASP 20 H ASP 20 7.172 12.915 0.084 169 HA ASP 20 HA ASP 20 9.356 12.999 -0.432 170 HB2 ASP 20 HB2 ASP 20 8.473 14.840 -2.664 171 HB3 ASP 20 HB3 ASP 20 9.946 13.884 -2.615 172 H VAL 21 H VAL 21 8.881 14.592 1.694 173 HA VAL 21 HA VAL 21 10.128 17.223 1.461 174 HB VAL 21 HB VAL 21 9.276 15.585 3.882 175 HG11 VAL 21 HG11 VAL 21 10.986 17.163 4.584 176 HG12 VAL 21 HG12 VAL 21 10.202 18.480 3.666 177 HG13 VAL 21 HG13 VAL 21 9.396 17.745 5.073 178 HG21 VAL 21 HG21 VAL 21 7.997 17.949 2.447 179 HG22 VAL 21 HG22 VAL 21 7.406 16.272 2.414 180 HG23 VAL 21 HG23 VAL 21 7.387 17.172 3.925 181 H LEU 22 H LEU 22 12.201 17.532 1.276 182 HA LEU 22 HA LEU 22 14.169 15.437 1.850 183 HB2 LEU 22 HB2 LEU 22 13.991 16.758 -0.298 184 HB3 LEU 22 HB3 LEU 22 14.403 18.203 0.607 185 HG LEU 22 HG LEU 22 16.603 17.117 1.189 186 HD11 LEU 22 HD11 LEU 22 16.056 14.759 0.844 187 HD12 LEU 22 HD12 LEU 22 15.761 15.061 -0.881 188 HD13 LEU 22 HD13 LEU 22 17.394 15.233 -0.211 189 HD21 LEU 22 HD21 LEU 22 17.646 17.559 -0.949 190 HD22 LEU 22 HD22 LEU 22 16.079 17.447 -1.766 191 HD23 LEU 22 HD23 LEU 22 16.389 18.764 -0.618 192 H GLU 23 H GLU 23 13.151 18.524 3.250 193 HA GLU 23 HA GLU 23 14.643 17.960 5.687 194 HB2 GLU 23 HB2 GLU 23 16.376 19.021 4.259 195 HB3 GLU 23 HB3 GLU 23 15.370 20.457 4.090 196 HG2 GLU 23 HG2 GLU 23 15.624 21.045 6.395 197 HG3 GLU 23 HG3 GLU 23 16.192 19.433 6.822 198 H VAL 24 H VAL 24 13.902 19.075 7.498 199 HA VAL 24 HA VAL 24 11.918 21.263 7.138 200 HB VAL 24 HB VAL 24 10.435 20.492 8.805 201 HG11 VAL 24 HG11 VAL 24 9.419 18.554 7.806 202 HG12 VAL 24 HG12 VAL 24 10.123 19.520 6.499 203 HG13 VAL 24 HG13 VAL 24 10.950 18.051 7.056 204 HG21 VAL 24 HG21 VAL 24 11.908 19.358 10.384 205 HG22 VAL 24 HG22 VAL 24 10.606 18.278 9.911 206 HG23 VAL 24 HG23 VAL 24 12.226 18.083 9.199 207 H ARG 25 H ARG 25 11.951 22.873 8.717 208 HA ARG 25 HA ARG 25 13.745 22.568 11.077 209 HB2 ARG 25 HB2 ARG 25 13.924 24.934 9.160 210 HB3 ARG 25 HB3 ARG 25 14.783 24.762 10.679 211 HG2 ARG 25 HG2 ARG 25 15.963 22.754 9.704 212 HG3 ARG 25 HG3 ARG 25 15.188 23.112 8.152 213 HD2 ARG 25 HD2 ARG 25 16.208 25.390 8.210 214 HD3 ARG 25 HD3 ARG 25 17.017 24.962 9.731 215 HE ARG 25 HE ARG 25 17.526 23.131 7.461 216 HH11 ARG 25 HH11 ARG 25 18.812 25.966 9.110 217 HH12 ARG 25 HH12 ARG 25 20.396 25.710 8.427 218 HH21 ARG 25 HH21 ARG 25 19.415 22.889 6.678 219 HH22 ARG 25 HH22 ARG 25 20.768 23.961 7.065 220 H ALA 26 H ALA 26 12.877 23.404 12.872 221 HA ALA 26 HA ALA 26 10.675 25.394 12.770 222 HB1 ALA 26 HB1 ALA 26 12.047 24.050 15.144 223 HB2 ALA 26 HB2 ALA 26 10.626 25.109 15.193 224 HB3 ALA 26 HB3 ALA 26 10.509 23.532 14.401 225 H GLU 27 H GLU 27 10.972 27.507 13.495 226 HA GLU 27 HA GLU 27 13.755 28.443 14.053 227 HB2 GLU 27 HB2 GLU 27 13.529 30.246 12.499 228 HB3 GLU 27 HB3 GLU 27 13.431 28.684 11.703 229 HG2 GLU 27 HG2 GLU 27 11.059 28.916 11.333 230 HG3 GLU 27 HG3 GLU 27 10.949 30.291 12.417 231 H GLY 28 H GLY 28 11.795 28.024 15.966 232 HA2 GLY 28 HA2 GLY 28 11.334 28.999 18.008 233 HA3 GLY 28 HA3 GLY 28 12.236 30.418 17.461 234 H GLY 29 H GLY 29 9.316 29.152 15.963 235 HA2 GLY 29 HA2 GLY 29 7.183 30.481 16.970 236 HA3 GLY 29 HA3 GLY 29 8.000 31.795 16.114 237 H ALA 30 H ALA 30 8.798 29.376 14.176 238 HA ALA 30 HA ALA 30 6.269 28.813 12.797 239 HB1 ALA 30 HB1 ALA 30 7.033 31.034 11.899 240 HB2 ALA 30 HB2 ALA 30 8.579 30.290 11.448 241 HB3 ALA 30 HB3 ALA 30 7.080 29.760 10.658 242 H VAL 31 H VAL 31 6.586 27.244 11.053 243 HA VAL 31 HA VAL 31 9.214 25.774 11.101 244 HB VAL 31 HB VAL 31 6.500 24.503 10.697 245 HG11 VAL 31 HG11 VAL 31 7.819 22.340 10.670 246 HG12 VAL 31 HG12 VAL 31 8.066 23.348 9.238 247 HG13 VAL 31 HG13 VAL 31 9.298 23.290 10.528 248 HG21 VAL 31 HG21 VAL 31 7.055 24.945 13.047 249 HG22 VAL 31 HG22 VAL 31 7.065 23.209 12.717 250 HG23 VAL 31 HG23 VAL 31 8.600 24.093 12.874 251 H ARG 32 H ARG 32 10.140 25.260 9.225 252 HA ARG 32 HA ARG 32 8.831 26.021 6.639 253 HB2 ARG 32 HB2 ARG 32 11.728 26.386 7.490 254 HB3 ARG 32 HB3 ARG 32 11.125 26.614 5.842 255 HG2 ARG 32 HG2 ARG 32 9.654 28.436 6.570 256 HG3 ARG 32 HG3 ARG 32 10.115 28.185 8.257 257 HD2 ARG 32 HD2 ARG 32 11.304 30.073 7.448 258 HD3 ARG 32 HD3 ARG 32 12.454 28.750 7.719 259 HE ARG 32 HE ARG 32 11.595 28.739 4.959 260 HH11 ARG 32 HH11 ARG 32 13.676 30.616 7.076 261 HH12 ARG 32 HH12 ARG 32 14.668 31.154 5.736 262 HH21 ARG 32 HH21 ARG 32 12.803 29.396 3.400 263 HH22 ARG 32 HH22 ARG 32 14.192 30.466 3.646 264 H VAL 33 H VAL 33 9.056 24.606 4.968 265 HA VAL 33 HA VAL 33 10.605 22.106 5.402 266 HB VAL 33 HB VAL 33 8.848 20.635 4.902 267 HG11 VAL 33 HG11 VAL 33 7.599 22.607 6.864 268 HG12 VAL 33 HG12 VAL 33 7.376 20.848 6.784 269 HG13 VAL 33 HG13 VAL 33 8.934 21.510 7.280 270 HG21 VAL 33 HG21 VAL 33 7.529 21.814 3.234 271 HG22 VAL 33 HG22 VAL 33 6.493 21.309 4.576 272 HG23 VAL 33 HG23 VAL 33 7.013 23.004 4.461 273 H THR 34 H THR 34 11.426 21.148 3.621 274 HA THR 34 HA THR 34 10.986 22.502 0.976 275 HB THR 34 HB THR 34 13.648 21.664 2.182 276 HG1 THR 34 HG1 THR 34 12.873 23.544 3.106 277 HG21 THR 34 HG21 THR 34 12.978 23.050 -0.453 278 HG22 THR 34 HG22 THR 34 14.609 22.937 0.247 279 HG23 THR 34 HG23 THR 34 13.757 21.469 -0.242 280 H THR 35 H THR 35 10.726 21.209 -0.711 281 HA THR 35 HA THR 35 11.067 18.261 -0.384 282 HB THR 35 HB THR 35 9.614 17.959 -2.231 283 HG1 THR 35 HG1 THR 35 9.505 20.773 -2.451 284 HG21 THR 35 HG21 THR 35 8.484 18.393 -0.074 285 HG22 THR 35 HG22 THR 35 8.350 20.115 -0.496 286 HG23 THR 35 HG23 THR 35 7.516 18.879 -1.469 287 H LEU 36 H LEU 36 11.976 17.044 -2.223 288 HA LEU 36 HA LEU 36 14.397 18.274 -3.202 289 HB2 LEU 36 HB2 LEU 36 14.782 16.158 -4.382 290 HB3 LEU 36 HB3 LEU 36 14.516 16.019 -2.656 291 HG LEU 36 HG LEU 36 12.330 15.061 -2.948 292 HD11 LEU 36 HD11 LEU 36 11.498 14.396 -5.206 293 HD12 LEU 36 HD12 LEU 36 11.448 16.126 -4.942 294 HD13 LEU 36 HD13 LEU 36 12.746 15.434 -5.944 295 HD21 LEU 36 HD21 LEU 36 14.383 13.826 -4.835 296 HD22 LEU 36 HD22 LEU 36 14.373 13.662 -3.066 297 HD23 LEU 36 HD23 LEU 36 13.041 12.982 -4.024 298 H PHE 37 H PHE 37 11.334 18.752 -4.375 299 HA PHE 37 HA PHE 37 12.051 19.074 -7.208 300 HB2 PHE 37 HB2 PHE 37 9.569 19.968 -5.699 301 HB3 PHE 37 HB3 PHE 37 9.762 19.869 -7.442 302 HD1 PHE 37 HD1 PHE 37 10.585 17.417 -8.297 303 HD2 PHE 37 HD2 PHE 37 8.385 18.222 -4.674 304 HE1 PHE 37 HE1 PHE 37 9.728 15.092 -8.301 305 HE2 PHE 37 HE2 PHE 37 7.535 15.881 -4.680 306 HZ PHE 37 HZ PHE 37 8.209 14.309 -6.491 307 H ASP 38 H ASP 38 13.105 20.734 -4.652 308 HA ASP 38 HA ASP 38 13.806 22.766 -4.101 309 HB2 ASP 38 HB2 ASP 38 13.460 23.656 -6.978 310 HB3 ASP 38 HB3 ASP 38 14.402 24.439 -5.726 311 H GLU 39 H GLU 39 10.752 22.123 -4.470 312 HA GLU 39 HA GLU 39 9.606 24.818 -4.133 313 HB2 GLU 39 HB2 GLU 39 8.316 23.067 -5.299 314 HB3 GLU 39 HB3 GLU 39 8.397 22.056 -3.863 315 HG2 GLU 39 HG2 GLU 39 6.255 22.945 -3.793 316 HG3 GLU 39 HG3 GLU 39 7.129 23.908 -2.616 317 H GLU 40 H GLU 40 9.266 25.796 -2.225 318 HA GLU 40 HA GLU 40 9.728 24.354 0.332 319 HB2 GLU 40 HB2 GLU 40 11.774 25.446 -0.329 320 HB3 GLU 40 HB3 GLU 40 10.972 26.989 -0.561 321 HG2 GLU 40 HG2 GLU 40 10.836 25.673 2.159 322 HG3 GLU 40 HG3 GLU 40 12.364 26.345 1.622 323 H HIS 41 H HIS 41 8.584 25.049 2.082 324 HA HIS 41 HA HIS 41 6.479 27.139 1.717 325 HB2 HIS 41 HB2 HIS 41 6.016 24.400 2.953 326 HB3 HIS 41 HB3 HIS 41 4.834 25.688 2.745 327 HD2 HIS 41 HD2 HIS 41 6.302 22.698 1.006 328 HE1 HIS 41 HE1 HIS 41 3.848 24.598 -1.920 329 HE2 HIS 41 HE2 HIS 41 5.161 22.486 -1.356 330 H ALA 42 H ALA 42 5.644 28.028 3.663 331 HA ALA 42 HA ALA 42 7.183 27.573 6.155 332 HB1 ALA 42 HB1 ALA 42 6.724 30.305 4.882 333 HB2 ALA 42 HB2 ALA 42 7.550 29.982 6.419 334 HB3 ALA 42 HB3 ALA 42 8.274 29.437 4.889 335 H PHE 43 H PHE 43 6.003 27.694 7.960 336 HA PHE 43 HA PHE 43 3.148 28.598 7.849 337 HB2 PHE 43 HB2 PHE 43 4.163 25.976 8.940 338 HB3 PHE 43 HB3 PHE 43 2.497 26.560 8.960 339 HD1 PHE 43 HD1 PHE 43 4.947 24.678 7.143 340 HD2 PHE 43 HD2 PHE 43 1.378 27.059 6.634 341 HE1 PHE 43 HE1 PHE 43 4.531 23.583 4.956 342 HE2 PHE 43 HE2 PHE 43 0.988 25.976 4.425 343 HZ PHE 43 HZ PHE 43 2.569 24.246 3.591 344 HA PRO 44 HA PRO 44 4.888 30.526 11.617 345 HB2 PRO 44 HB2 PRO 44 2.418 32.182 11.174 346 HB3 PRO 44 HB3 PRO 44 4.065 32.707 11.655 347 HG2 PRO 44 HG2 PRO 44 3.224 33.053 9.108 348 HG3 PRO 44 HG3 PRO 44 4.876 32.424 9.417 349 HD2 PRO 44 HD2 PRO 44 2.371 30.847 8.727 350 HD3 PRO 44 HD3 PRO 44 4.011 30.731 8.015 351 H GLY 45 H GLY 45 4.322 30.428 13.738 352 HA2 GLY 45 HA2 GLY 45 2.986 30.160 15.638 353 HA3 GLY 45 HA3 GLY 45 1.594 29.763 14.644 354 H LEU 46 H LEU 46 4.291 27.881 13.745 355 HA LEU 46 HA LEU 46 3.326 25.559 15.355 356 HB2 LEU 46 HB2 LEU 46 4.365 25.659 12.496 357 HB3 LEU 46 HB3 LEU 46 4.006 24.188 13.368 358 HG LEU 46 HG LEU 46 1.947 26.328 12.675 359 HD11 LEU 46 HD11 LEU 46 2.877 25.055 10.731 360 HD12 LEU 46 HD12 LEU 46 2.320 23.554 11.488 361 HD13 LEU 46 HD13 LEU 46 1.146 24.793 11.005 362 HD21 LEU 46 HD21 LEU 46 1.266 25.043 14.674 363 HD22 LEU 46 HD22 LEU 46 0.294 24.582 13.288 364 HD23 LEU 46 HD23 LEU 46 1.605 23.513 13.825 365 H ALA 47 H ALA 47 4.761 23.871 15.714 366 HA ALA 47 HA ALA 47 7.661 24.184 15.307 367 HB1 ALA 47 HB1 ALA 47 6.419 23.586 18.031 368 HB2 ALA 47 HB2 ALA 47 8.146 23.527 17.630 369 HB3 ALA 47 HB3 ALA 47 7.274 25.071 17.586 370 H ILE 48 H ILE 48 8.741 22.008 15.490 371 HA ILE 48 HA ILE 48 7.076 19.906 14.325 372 HB ILE 48 HB ILE 48 9.964 19.838 15.255 373 HG12 ILE 48 HG12 ILE 48 9.151 19.786 12.339 374 HG13 ILE 48 HG13 ILE 48 9.170 21.351 13.167 375 HG21 ILE 48 HG21 ILE 48 10.098 17.779 13.793 376 HG22 ILE 48 HG22 ILE 48 9.051 17.557 15.196 377 HG23 ILE 48 HG23 ILE 48 8.341 17.849 13.598 378 HD11 ILE 48 HD11 ILE 48 11.543 19.463 12.957 379 HD12 ILE 48 HD12 ILE 48 11.305 20.993 12.079 380 HD13 ILE 48 HD13 ILE 48 11.523 21.003 13.838 381 H GLY 49 H GLY 49 5.938 18.400 15.393 382 HA2 GLY 49 HA2 GLY 49 6.113 18.267 18.368 383 HA3 GLY 49 HA3 GLY 49 4.725 17.863 17.355 384 H ARG 50 H ARG 50 5.946 16.101 15.498 385 HA ARG 50 HA ARG 50 7.074 13.854 17.089 386 HB2 ARG 50 HB2 ARG 50 4.685 13.743 17.513 387 HB3 ARG 50 HB3 ARG 50 4.309 13.866 15.792 388 HG2 ARG 50 HG2 ARG 50 5.265 11.632 15.398 389 HG3 ARG 50 HG3 ARG 50 5.769 11.528 17.087 390 HD2 ARG 50 HD2 ARG 50 3.363 11.782 17.766 391 HD3 ARG 50 HD3 ARG 50 2.917 11.830 16.057 392 HE ARG 50 HE ARG 50 4.395 9.437 17.054 393 HH11 ARG 50 HH11 ARG 50 1.236 10.638 16.047 394 HH12 ARG 50 HH12 ARG 50 0.613 9.015 15.903 395 HH21 ARG 50 HH21 ARG 50 3.600 7.566 16.885 396 HH22 ARG 50 HH22 ARG 50 1.939 7.264 16.360 397 H VAL 51 H VAL 51 8.064 12.307 15.960 398 HA VAL 51 HA VAL 51 8.048 12.346 12.987 399 HB VAL 51 HB VAL 51 10.622 12.211 14.620 400 HG11 VAL 51 HG11 VAL 51 10.086 12.267 11.617 401 HG12 VAL 51 HG12 VAL 51 11.693 12.413 12.358 402 HG13 VAL 51 HG13 VAL 51 10.770 10.917 12.557 403 HG21 VAL 51 HG21 VAL 51 9.588 14.485 12.893 404 HG22 VAL 51 HG22 VAL 51 9.811 14.509 14.653 405 HG23 VAL 51 HG23 VAL 51 11.212 14.370 13.599 406 H ASP 52 H ASP 52 7.639 10.319 12.259 407 HA ASP 52 HA ASP 52 8.297 7.976 14.002 408 HB2 ASP 52 HB2 ASP 52 5.948 8.734 14.273 409 HB3 ASP 52 HB3 ASP 52 5.674 8.447 12.560 410 H LEU 53 H LEU 53 9.861 7.000 12.949 411 HA LEU 53 HA LEU 53 10.184 7.172 10.073 412 HB2 LEU 53 HB2 LEU 53 11.780 5.638 12.164 413 HB3 LEU 53 HB3 LEU 53 12.252 5.905 10.496 414 HG LEU 53 HG LEU 53 13.544 7.358 11.703 415 HD11 LEU 53 HD11 LEU 53 12.931 9.608 11.015 416 HD12 LEU 53 HD12 LEU 53 12.543 8.451 9.735 417 HD13 LEU 53 HD13 LEU 53 11.244 9.115 10.769 418 HD21 LEU 53 HD21 LEU 53 11.193 8.548 13.224 419 HD22 LEU 53 HD22 LEU 53 12.324 7.322 13.849 420 HD23 LEU 53 HD23 LEU 53 12.905 8.931 13.383 421 H ARG 54 H ARG 54 8.440 5.005 12.013 422 HA ARG 54 HA ARG 54 8.690 2.557 10.468 423 HB2 ARG 54 HB2 ARG 54 6.374 3.602 12.150 424 HB3 ARG 54 HB3 ARG 54 6.579 1.946 11.597 425 HG2 ARG 54 HG2 ARG 54 8.602 1.657 12.927 426 HG3 ARG 54 HG3 ARG 54 8.551 3.345 13.453 427 HD2 ARG 54 HD2 ARG 54 6.462 1.236 14.080 428 HD3 ARG 54 HD3 ARG 54 7.720 1.823 15.179 429 HE ARG 54 HE ARG 54 6.355 4.131 14.333 430 HH11 ARG 54 HH11 ARG 54 5.558 1.304 16.273 431 HH12 ARG 54 HH12 ARG 54 4.224 2.111 17.049 432 HH21 ARG 54 HH21 ARG 54 4.599 5.037 15.250 433 HH22 ARG 54 HH22 ARG 54 3.739 4.210 16.541 434 H SER 55 H SER 55 6.907 5.500 9.990 435 HA SER 55 HA SER 55 5.893 4.504 7.356 436 HB2 SER 55 HB2 SER 55 4.371 6.284 9.295 437 HB3 SER 55 HB3 SER 55 3.816 5.763 7.693 438 HG SER 55 HG SER 55 3.691 3.661 8.422 439 H GLY 56 H GLY 56 7.999 6.646 8.697 440 HA2 GLY 56 HA2 GLY 56 9.142 8.438 7.862 441 HA3 GLY 56 HA3 GLY 56 8.275 8.264 6.329 442 H VAL 57 H VAL 57 6.543 8.824 9.383 443 HA VAL 57 HA VAL 57 5.351 11.246 8.150 444 HB VAL 57 HB VAL 57 4.597 9.633 10.606 445 HG11 VAL 57 HG11 VAL 57 2.489 11.030 10.602 446 HG12 VAL 57 HG12 VAL 57 3.926 11.933 11.078 447 HG13 VAL 57 HG13 VAL 57 3.268 12.116 9.430 448 HG21 VAL 57 HG21 VAL 57 2.617 9.049 9.263 449 HG22 VAL 57 HG22 VAL 57 3.206 10.059 7.922 450 HG23 VAL 57 HG23 VAL 57 4.086 8.586 8.392 451 H ILE 58 H ILE 58 5.653 13.247 8.720 452 HA ILE 58 HA ILE 58 6.925 13.970 11.327 453 HB ILE 58 HB ILE 58 7.206 15.258 8.594 454 HG12 ILE 58 HG12 ILE 58 9.279 14.298 10.608 455 HG13 ILE 58 HG13 ILE 58 8.738 13.378 9.217 456 HG21 ILE 58 HG21 ILE 58 8.002 16.454 11.289 457 HG22 ILE 58 HG22 ILE 58 8.422 17.116 9.687 458 HG23 ILE 58 HG23 ILE 58 6.748 17.076 10.188 459 HD11 ILE 58 HD11 ILE 58 10.832 14.381 8.655 460 HD12 ILE 58 HD12 ILE 58 9.569 15.202 7.711 461 HD13 ILE 58 HD13 ILE 58 10.289 15.986 9.139 462 H SER 59 H SER 59 5.657 15.157 12.639 463 HA SER 59 HA SER 59 3.147 16.376 11.528 464 HB2 SER 59 HB2 SER 59 2.683 14.226 12.629 465 HB3 SER 59 HB3 SER 59 3.448 14.825 14.102 466 HG SER 59 HG SER 59 1.046 15.695 12.875 467 H LEU 60 H LEU 60 2.796 18.410 12.051 468 HA LEU 60 HA LEU 60 4.601 19.797 13.978 469 HB2 LEU 60 HB2 LEU 60 2.795 20.776 11.753 470 HB3 LEU 60 HB3 LEU 60 3.570 21.843 12.919 471 HG LEU 60 HG LEU 60 5.798 21.200 12.171 472 HD11 LEU 60 HD11 LEU 60 5.577 18.955 11.336 473 HD12 LEU 60 HD12 LEU 60 4.355 19.450 10.139 474 HD13 LEU 60 HD13 LEU 60 6.055 19.977 9.977 475 HD21 LEU 60 HD21 LEU 60 5.633 22.252 9.895 476 HD22 LEU 60 HD22 LEU 60 3.885 22.044 9.949 477 HD23 LEU 60 HD23 LEU 60 4.692 23.105 11.128 478 H ILE 61 H ILE 61 3.812 21.201 15.541 479 HA ILE 61 HA ILE 61 0.941 21.094 16.310 480 HB ILE 61 HB ILE 61 1.570 20.868 18.680 481 HG12 ILE 61 HG12 ILE 61 3.806 19.632 19.120 482 HG13 ILE 61 HG13 ILE 61 4.391 20.352 17.631 483 HG21 ILE 61 HG21 ILE 61 0.764 18.969 17.339 484 HG22 ILE 61 HG22 ILE 61 2.440 18.501 16.981 485 HG23 ILE 61 HG23 ILE 61 1.837 18.464 18.650 486 HD11 ILE 61 HD11 ILE 61 5.034 21.576 19.695 487 HD12 ILE 61 HD12 ILE 61 4.090 22.611 18.623 488 HD13 ILE 61 HD13 ILE 61 3.321 21.883 20.054 489 H GLU 62 H GLU 62 0.300 22.858 17.766 490 HA GLU 62 HA GLU 62 1.383 25.382 16.836 491 HB2 GLU 62 HB2 GLU 62 -0.650 24.741 18.986 492 HB3 GLU 62 HB3 GLU 62 -0.197 26.379 18.491 493 HG2 GLU 62 HG2 GLU 62 -0.839 25.801 16.132 494 HG3 GLU 62 HG3 GLU 62 -1.448 24.243 16.715 495 H GLU 63 H GLU 63 2.791 26.776 17.711 496 HA GLU 63 HA GLU 63 4.689 25.611 19.537 497 HB2 GLU 63 HB2 GLU 63 6.101 27.471 19.000 498 HB3 GLU 63 HB3 GLU 63 5.294 26.894 17.564 499 HG2 GLU 63 HG2 GLU 63 5.126 29.122 17.220 500 HG3 GLU 63 HG3 GLU 63 3.567 28.795 17.943 501 H GLN 64 H GLN 64 1.990 27.582 20.225 502 HA GLN 64 HA GLN 64 2.727 27.530 23.084 503 HB2 GLN 64 HB2 GLN 64 1.732 30.002 21.617 504 HB3 GLN 64 HB3 GLN 64 1.462 29.761 23.343 505 HG2 GLN 64 HG2 GLN 64 3.862 29.643 23.784 506 HG3 GLN 64 HG3 GLN 64 4.227 29.757 22.057 507 HE21 GLN 64 HE21 GLN 64 3.782 31.779 20.925 508 HE22 GLN 64 HE22 GLN 64 3.682 33.281 21.854 509 H ASN 65 H ASN 65 1.130 26.878 24.362 510 HA ASN 65 HA ASN 65 -1.636 26.511 23.283 511 HB2 ASN 65 HB2 ASN 65 0.037 24.422 24.735 512 HB3 ASN 65 HB3 ASN 65 -1.621 24.214 24.202 513 HD21 ASN 65 HD21 ASN 65 1.713 24.152 23.188 514 HD22 ASN 65 HD22 ASN 65 1.403 23.885 21.483 515 H ARG 66 H ARG 66 -0.086 28.162 25.505 516 HA ARG 66 HA ARG 66 -1.491 27.574 27.988 517 HB2 ARG 66 HB2 ARG 66 -0.368 29.553 28.840 518 HB3 ARG 66 HB3 ARG 66 0.759 28.465 28.034 519 HG2 ARG 66 HG2 ARG 66 0.671 29.964 25.986 520 HG3 ARG 66 HG3 ARG 66 -0.355 31.080 26.908 521 HD2 ARG 66 HD2 ARG 66 1.459 31.374 28.570 522 HD3 ARG 66 HD3 ARG 66 2.459 30.215 27.686 523 HE ARG 66 HE ARG 66 2.637 31.748 25.830 524 HH11 ARG 66 HH11 ARG 66 1.262 33.331 28.656 525 HH12 ARG 66 HH12 ARG 66 1.653 34.911 28.031 526 HH21 ARG 66 HH21 ARG 66 3.061 33.686 25.129 527 HH22 ARG 66 HH22 ARG 66 2.682 35.120 26.077 528 H1 GLY -3 H1 GLY -3 19.452 -3.684 6.599 529 H2 GLY -3 H2 GLY -3 18.989 -3.706 5.020 530 H3 GLY -3 H3 GLY -3 18.672 -4.988 5.981 531 HA2 GLY -3 HA2 GLY -3 17.174 -3.702 7.340 532 HA3 GLY -3 HA3 GLY -3 17.497 -2.303 6.291 533 HA PRO -2 HA PRO -2 13.751 -4.765 4.892 534 HB2 PRO -2 HB2 PRO -2 12.546 -2.004 4.974 535 HB3 PRO -2 HB3 PRO -2 11.814 -3.580 5.422 536 HG2 PRO -2 HG2 PRO -2 12.678 -1.889 7.341 537 HG3 PRO -2 HG3 PRO -2 13.057 -3.640 7.468 538 HD2 PRO -2 HD2 PRO -2 14.829 -1.411 6.420 539 HD3 PRO -2 HD3 PRO -2 15.217 -2.690 7.604 540 H GLY -1 H GLY -1 15.232 -1.828 3.631 541 HA2 GLY -1 HA2 GLY -1 15.276 -2.619 0.899 542 HA3 GLY -1 HA3 GLY -1 13.875 -1.577 1.141 543 H SER 0 H SER 0 14.578 0.198 0.020 544 HA SER 0 HA SER 0 17.156 1.479 0.295 545 HB2 SER 0 HB2 SER 0 15.662 1.733 -1.655 546 HB3 SER 0 HB3 SER 0 14.471 2.560 -0.631 547 HG SER 0 HG SER 0 15.875 3.984 -1.853 548 H MET 1 H MET 1 14.117 1.759 2.098 549 HA MET 1 HA MET 1 14.771 4.159 3.556 550 HB2 MET 1 HB2 MET 1 12.821 3.719 4.844 551 HB3 MET 1 HB3 MET 1 12.487 3.345 3.162 552 HG2 MET 1 HG2 MET 1 11.428 1.653 4.337 553 HG3 MET 1 HG3 MET 1 12.875 0.891 3.718 554 HE1 MET 1 HE1 MET 1 11.985 1.892 8.188 555 HE2 MET 1 HE2 MET 1 12.256 3.194 7.005 556 HE3 MET 1 HE3 MET 1 10.851 2.109 6.837 557 H CYS 2 H CYS 2 15.092 4.344 5.858 558 HA CYS 2 HA CYS 2 16.176 2.118 7.399 559 HB2 CYS 2 HB2 CYS 2 18.365 3.173 7.780 560 HB3 CYS 2 HB3 CYS 2 18.154 2.728 6.087 561 HG CYS 2 HG CYS 2 17.590 5.081 5.156 562 H MET 3 H MET 3 16.696 2.745 9.632 563 HA MET 3 HA MET 3 14.835 4.691 10.751 564 HB2 MET 3 HB2 MET 3 16.845 2.726 11.887 565 HB3 MET 3 HB3 MET 3 16.180 4.007 12.906 566 HG2 MET 3 HG2 MET 3 14.801 2.103 13.222 567 HG3 MET 3 HG3 MET 3 13.881 3.308 12.347 568 HE1 MET 3 HE1 MET 3 15.221 -0.332 12.382 569 HE2 MET 3 HE2 MET 3 15.436 -0.706 10.664 570 HE3 MET 3 HE3 MET 3 16.476 0.508 11.437 571 H ALA 4 H ALA 4 15.335 6.472 12.030 572 HA ALA 4 HA ALA 4 17.501 8.152 11.023 573 HB1 ALA 4 HB1 ALA 4 16.380 9.865 12.476 574 HB2 ALA 4 HB2 ALA 4 15.248 9.057 11.392 575 HB3 ALA 4 HB3 ALA 4 15.314 8.600 13.116 576 H LYS 5 H LYS 5 18.704 9.512 12.602 577 HA LYS 5 HA LYS 5 19.186 8.271 15.247 578 HB2 LYS 5 HB2 LYS 5 21.485 8.759 15.321 579 HB3 LYS 5 HB3 LYS 5 21.186 7.822 13.859 580 HG2 LYS 5 HG2 LYS 5 21.327 9.930 12.508 581 HG3 LYS 5 HG3 LYS 5 21.670 10.835 14.005 582 HD2 LYS 5 HD2 LYS 5 23.668 9.365 14.404 583 HD3 LYS 5 HD3 LYS 5 23.322 8.537 12.872 584 HE2 LYS 5 HE2 LYS 5 25.060 10.064 12.416 585 HE3 LYS 5 HE3 LYS 5 23.612 10.739 11.681 586 HZ1 LYS 5 HZ1 LYS 5 24.782 11.563 14.304 587 HZ2 LYS 5 HZ2 LYS 5 24.899 12.407 12.910 588 HZ3 LYS 5 HZ3 LYS 5 23.450 12.230 13.628 589 H VAL 6 H VAL 6 19.287 9.591 16.945 590 HA VAL 6 HA VAL 6 18.324 12.396 16.558 591 HB VAL 6 HB VAL 6 18.054 10.406 18.802 592 HG11 VAL 6 HG11 VAL 6 18.645 12.443 19.993 593 HG12 VAL 6 HG12 VAL 6 17.521 13.386 18.993 594 HG13 VAL 6 HG13 VAL 6 16.905 12.170 20.140 595 HG21 VAL 6 HG21 VAL 6 15.985 12.123 17.418 596 HG22 VAL 6 HG22 VAL 6 16.376 10.458 16.942 597 HG23 VAL 6 HG23 VAL 6 15.704 10.786 18.549 598 H VAL 7 H VAL 7 19.455 14.124 17.322 599 HA VAL 7 HA VAL 7 21.793 13.643 19.096 600 HB VAL 7 HB VAL 7 22.696 14.059 16.898 601 HG11 VAL 7 HG11 VAL 7 20.904 15.424 15.883 602 HG12 VAL 7 HG12 VAL 7 21.319 16.778 16.957 603 HG13 VAL 7 HG13 VAL 7 22.477 16.203 15.741 604 HG21 VAL 7 HG21 VAL 7 24.234 15.848 17.425 605 HG22 VAL 7 HG22 VAL 7 23.145 16.511 18.646 606 HG23 VAL 7 HG23 VAL 7 23.907 14.931 18.901 607 H LEU 8 H LEU 8 22.055 14.984 20.791 608 HA LEU 8 HA LEU 8 20.313 17.345 21.149 609 HB2 LEU 8 HB2 LEU 8 19.274 16.509 23.166 610 HB3 LEU 8 HB3 LEU 8 18.912 15.472 21.816 611 HG LEU 8 HG LEU 8 21.068 14.118 22.815 612 HD11 LEU 8 HD11 LEU 8 21.345 15.641 24.767 613 HD12 LEU 8 HD12 LEU 8 19.665 15.342 25.237 614 HD13 LEU 8 HD13 LEU 8 20.848 14.024 25.269 615 HD21 LEU 8 HD21 LEU 8 18.187 13.884 23.758 616 HD22 LEU 8 HD22 LEU 8 18.883 13.174 22.296 617 HD23 LEU 8 HD23 LEU 8 19.443 12.631 23.890 618 H THR 9 H THR 9 20.742 18.550 23.076 619 HA THR 9 HA THR 9 23.493 18.212 24.207 620 HB THR 9 HB THR 9 21.937 20.818 24.123 621 HG1 THR 9 HG1 THR 9 22.391 20.216 22.022 622 HG21 THR 9 HG21 THR 9 24.890 20.172 24.537 623 HG22 THR 9 HG22 THR 9 24.178 21.800 24.471 624 HG23 THR 9 HG23 THR 9 23.766 20.710 25.802 625 H LYS 10 H LYS 10 23.668 17.876 26.323 626 HA LYS 10 HA LYS 10 21.295 17.537 28.025 627 HB2 LYS 10 HB2 LYS 10 24.283 17.251 28.582 628 HB3 LYS 10 HB3 LYS 10 22.996 16.819 29.705 629 HG2 LYS 10 HG2 LYS 10 22.094 15.204 28.025 630 HG3 LYS 10 HG3 LYS 10 23.508 15.500 27.002 631 HD2 LYS 10 HD2 LYS 10 23.613 14.464 29.870 632 HD3 LYS 10 HD3 LYS 10 23.677 13.440 28.440 633 HE2 LYS 10 HE2 LYS 10 25.757 14.584 27.692 634 HE3 LYS 10 HE3 LYS 10 25.693 15.631 29.121 635 HZ1 LYS 10 HZ1 LYS 10 25.963 12.678 29.189 636 HZ2 LYS 10 HZ2 LYS 10 27.163 13.752 29.471 637 HZ3 LYS 10 HZ3 LYS 10 25.910 13.649 30.510 638 H ALA 11 H ALA 11 21.156 18.446 30.189 639 HA ALA 11 HA ALA 11 21.381 21.291 30.372 640 HB1 ALA 11 HB1 ALA 11 21.109 19.179 32.562 641 HB2 ALA 11 HB2 ALA 11 20.769 20.912 32.734 642 HB3 ALA 11 HB3 ALA 11 19.773 19.928 31.652 643 H ASP 12 H ASP 12 23.702 18.768 31.120 644 HA ASP 12 HA ASP 12 25.606 20.439 32.554 645 HB2 ASP 12 HB2 ASP 12 25.929 17.745 31.169 646 HB3 ASP 12 HB3 ASP 12 27.111 18.478 32.252 647 H GLY 13 H GLY 13 24.739 20.510 29.303 648 HA2 GLY 13 HA2 GLY 13 25.639 21.778 27.590 649 HA3 GLY 13 HA3 GLY 13 27.126 22.003 28.511 650 H GLY 14 H GLY 14 26.836 18.749 28.591 651 HA2 GLY 14 HA2 GLY 14 28.581 18.193 26.301 652 HA3 GLY 14 HA3 GLY 14 27.942 17.028 27.454 653 H ARG 15 H ARG 15 28.026 16.475 24.707 654 HA ARG 15 HA ARG 15 25.135 16.505 23.924 655 HB2 ARG 15 HB2 ARG 15 27.608 16.861 22.199 656 HB3 ARG 15 HB3 ARG 15 26.055 16.326 21.537 657 HG2 ARG 15 HG2 ARG 15 24.945 18.324 22.466 658 HG3 ARG 15 HG3 ARG 15 26.502 18.909 23.085 659 HD2 ARG 15 HD2 ARG 15 27.348 19.194 20.837 660 HD3 ARG 15 HD3 ARG 15 25.951 18.334 20.140 661 HE ARG 15 HE ARG 15 24.768 20.371 21.537 662 HH11 ARG 15 HH11 ARG 15 27.157 20.414 18.969 663 HH12 ARG 15 HH12 ARG 15 26.660 21.990 18.401 664 HH21 ARG 15 HH21 ARG 15 24.199 22.327 20.803 665 HH22 ARG 15 HH22 ARG 15 24.979 23.055 19.422 666 H VAL 16 H VAL 16 24.280 14.867 22.766 667 HA VAL 16 HA VAL 16 25.540 12.173 23.104 668 HB VAL 16 HB VAL 16 22.753 12.977 24.034 669 HG11 VAL 16 HG11 VAL 16 22.588 10.650 24.897 670 HG12 VAL 16 HG12 VAL 16 22.657 10.705 23.139 671 HG13 VAL 16 HG13 VAL 16 24.103 10.250 24.070 672 HG21 VAL 16 HG21 VAL 16 24.430 13.674 25.658 673 HG22 VAL 16 HG22 VAL 16 23.549 12.272 26.273 674 HG23 VAL 16 HG23 VAL 16 25.190 12.068 25.612 675 H GLU 17 H GLU 17 24.991 10.696 21.556 676 HA GLU 17 HA GLU 17 22.950 11.425 19.513 677 HB2 GLU 17 HB2 GLU 17 25.644 10.125 18.962 678 HB3 GLU 17 HB3 GLU 17 24.298 10.239 17.818 679 HG2 GLU 17 HG2 GLU 17 24.360 12.738 18.048 680 HG3 GLU 17 HG3 GLU 17 25.821 12.577 19.037 681 H ILE 18 H ILE 18 21.625 9.835 18.818 682 HA ILE 18 HA ILE 18 21.786 7.113 20.086 683 HB ILE 18 HB ILE 18 19.331 8.894 19.927 684 HG12 ILE 18 HG12 ILE 18 20.863 8.077 22.431 685 HG13 ILE 18 HG13 ILE 18 20.948 9.668 21.677 686 HG21 ILE 18 HG21 ILE 18 18.828 6.461 19.699 687 HG22 ILE 18 HG22 ILE 18 19.706 6.155 21.216 688 HG23 ILE 18 HG23 ILE 18 18.193 7.112 21.190 689 HD11 ILE 18 HD11 ILE 18 18.500 8.487 22.974 690 HD12 ILE 18 HD12 ILE 18 19.460 9.893 23.462 691 HD13 ILE 18 HD13 ILE 18 18.490 9.961 21.986 692 H GLY 19 H GLY 19 22.089 5.803 18.351 693 HA2 GLY 19 HA2 GLY 19 20.904 6.344 15.720 694 HA3 GLY 19 HA3 GLY 19 21.931 4.985 16.161 695 H ASP 20 H ASP 20 19.968 4.318 14.564 696 HA ASP 20 HA ASP 20 18.304 2.806 14.256 697 HB2 ASP 20 HB2 ASP 20 19.163 1.851 17.004 698 HB3 ASP 20 HB3 ASP 20 18.310 0.919 15.798 699 H VAL 21 H VAL 21 17.335 5.300 15.191 700 HA VAL 21 HA VAL 21 15.255 4.902 17.193 701 HB VAL 21 HB VAL 21 15.979 7.243 15.417 702 HG11 VAL 21 HG11 VAL 21 13.885 7.076 17.623 703 HG12 VAL 21 HG12 VAL 21 14.555 8.587 16.961 704 HG13 VAL 21 HG13 VAL 21 13.627 7.522 15.919 705 HG21 VAL 21 HG21 VAL 21 16.377 6.670 18.389 706 HG22 VAL 21 HG22 VAL 21 17.642 6.701 17.149 707 HG23 VAL 21 HG23 VAL 21 16.800 8.194 17.573 708 H LEU 22 H LEU 22 13.251 4.247 16.927 709 HA LEU 22 HA LEU 22 11.998 4.004 14.245 710 HB2 LEU 22 HB2 LEU 22 11.088 3.226 17.054 711 HB3 LEU 22 HB3 LEU 22 10.106 3.029 15.613 712 HG LEU 22 HG LEU 22 12.738 1.603 16.145 713 HD11 LEU 22 HD11 LEU 22 11.219 -0.395 16.306 714 HD12 LEU 22 HD12 LEU 22 10.928 0.812 17.578 715 HD13 LEU 22 HD13 LEU 22 9.831 0.689 16.190 716 HD21 LEU 22 HD21 LEU 22 12.384 1.901 13.713 717 HD22 LEU 22 HD22 LEU 22 12.141 0.210 14.185 718 HD23 LEU 22 HD23 LEU 22 10.750 1.258 13.862 719 H GLU 23 H GLU 23 11.684 5.947 17.273 720 HA GLU 23 HA GLU 23 9.900 7.804 15.848 721 HB2 GLU 23 HB2 GLU 23 8.439 5.891 16.610 722 HB3 GLU 23 HB3 GLU 23 8.898 6.258 18.280 723 HG2 GLU 23 HG2 GLU 23 7.874 8.494 18.072 724 HG3 GLU 23 HG3 GLU 23 7.526 8.186 16.358 725 H VAL 24 H VAL 24 9.611 9.764 16.800 726 HA VAL 24 HA VAL 24 10.870 10.351 19.424 727 HB VAL 24 HB VAL 24 11.213 12.052 16.928 728 HG11 VAL 24 HG11 VAL 24 12.793 13.357 18.312 729 HG12 VAL 24 HG12 VAL 24 11.179 13.390 19.022 730 HG13 VAL 24 HG13 VAL 24 12.417 12.327 19.712 731 HG21 VAL 24 HG21 VAL 24 12.641 10.098 16.713 732 HG22 VAL 24 HG22 VAL 24 13.639 11.479 17.162 733 HG23 VAL 24 HG23 VAL 24 13.201 10.285 18.393 734 H ARG 25 H ARG 25 9.653 11.711 20.689 735 HA ARG 25 HA ARG 25 7.320 13.192 19.500 736 HB2 ARG 25 HB2 ARG 25 7.190 11.431 21.978 737 HB3 ARG 25 HB3 ARG 25 5.894 12.446 21.350 738 HG2 ARG 25 HG2 ARG 25 5.835 11.027 19.286 739 HG3 ARG 25 HG3 ARG 25 7.073 9.972 20.015 740 HD2 ARG 25 HD2 ARG 25 5.520 9.679 21.988 741 HD3 ARG 25 HD3 ARG 25 4.262 10.519 21.056 742 HE ARG 25 HE ARG 25 5.096 8.497 19.360 743 HH11 ARG 25 HH11 ARG 25 3.627 8.519 22.540 744 HH12 ARG 25 HH12 ARG 25 3.142 6.845 22.410 745 HH21 ARG 25 HH21 ARG 25 4.701 6.342 19.380 746 HH22 ARG 25 HH22 ARG 25 3.666 5.664 20.635 747 H ALA 26 H ALA 26 7.333 15.244 20.120 748 HA ALA 26 HA ALA 26 8.617 16.088 22.673 749 HB1 ALA 26 HB1 ALA 26 9.177 17.335 20.586 750 HB2 ALA 26 HB2 ALA 26 7.470 17.769 20.411 751 HB3 ALA 26 HB3 ALA 26 8.384 18.349 21.808 752 H GLU 27 H GLU 27 7.377 16.456 24.443 753 HA GLU 27 HA GLU 27 4.595 17.325 24.253 754 HB2 GLU 27 HB2 GLU 27 3.600 15.436 25.420 755 HB3 GLU 27 HB3 GLU 27 4.231 14.966 23.843 756 HG2 GLU 27 HG2 GLU 27 6.232 13.975 24.966 757 HG3 GLU 27 HG3 GLU 27 5.544 14.411 26.539 758 H GLY 28 H GLY 28 3.734 18.145 26.153 759 HA2 GLY 28 HA2 GLY 28 3.658 19.054 28.249 760 HA3 GLY 28 HA3 GLY 28 4.818 17.835 28.782 761 H GLY 29 H GLY 29 7.068 18.254 28.366 762 HA2 GLY 29 HA2 GLY 29 8.102 20.887 27.689 763 HA3 GLY 29 HA3 GLY 29 8.261 20.498 29.413 764 H ALA 30 H ALA 30 8.396 17.959 26.960 765 HA ALA 30 HA ALA 30 11.333 17.657 27.218 766 HB1 ALA 30 HB1 ALA 30 11.018 15.362 28.098 767 HB2 ALA 30 HB2 ALA 30 10.219 16.512 29.187 768 HB3 ALA 30 HB3 ALA 30 9.250 15.571 28.042 769 H VAL 31 H VAL 31 12.185 15.913 25.897 770 HA VAL 31 HA VAL 31 10.360 14.989 23.709 771 HB VAL 31 HB VAL 31 13.345 15.447 23.396 772 HG11 VAL 31 HG11 VAL 31 11.222 14.393 21.473 773 HG12 VAL 31 HG12 VAL 31 12.825 14.942 20.971 774 HG13 VAL 31 HG13 VAL 31 12.682 13.535 22.030 775 HG21 VAL 31 HG21 VAL 31 12.036 17.545 23.337 776 HG22 VAL 31 HG22 VAL 31 12.633 17.145 21.726 777 HG23 VAL 31 HG23 VAL 31 10.938 16.846 22.132 778 H ARG 32 H ARG 32 10.190 12.897 23.336 779 HA ARG 32 HA ARG 32 11.880 10.951 24.873 780 HB2 ARG 32 HB2 ARG 32 8.903 10.904 24.223 781 HB3 ARG 32 HB3 ARG 32 9.802 9.468 24.707 782 HG2 ARG 32 HG2 ARG 32 10.418 10.485 26.845 783 HG3 ARG 32 HG3 ARG 32 9.630 12.008 26.399 784 HD2 ARG 32 HD2 ARG 32 7.458 10.930 26.336 785 HD3 ARG 32 HD3 ARG 32 8.186 9.342 26.595 786 HE ARG 32 HE ARG 32 9.051 10.456 28.811 787 HH11 ARG 32 HH11 ARG 32 5.823 11.106 27.503 788 HH12 ARG 32 HH12 ARG 32 5.134 11.150 29.108 789 HH21 ARG 32 HH21 ARG 32 8.093 10.637 30.773 790 HH22 ARG 32 HH22 ARG 32 6.379 10.942 30.886 791 H VAL 33 H VAL 33 12.387 9.026 23.889 792 HA VAL 33 HA VAL 33 12.152 8.877 20.917 793 HB VAL 33 HB VAL 33 14.723 8.373 22.415 794 HG11 VAL 33 HG11 VAL 33 14.679 7.120 20.371 795 HG12 VAL 33 HG12 VAL 33 14.130 8.539 19.456 796 HG13 VAL 33 HG13 VAL 33 15.764 8.485 20.156 797 HG21 VAL 33 HG21 VAL 33 14.294 10.807 22.511 798 HG22 VAL 33 HG22 VAL 33 15.617 10.453 21.405 799 HG23 VAL 33 HG23 VAL 33 14.002 10.829 20.758 800 H THR 34 H THR 34 12.011 6.841 20.072 801 HA THR 34 HA THR 34 12.290 4.470 21.914 802 HB THR 34 HB THR 34 10.250 4.850 19.692 803 HG1 THR 34 HG1 THR 34 9.736 5.958 21.580 804 HG21 THR 34 HG21 THR 34 9.295 2.707 20.587 805 HG22 THR 34 HG22 THR 34 10.876 2.477 19.835 806 HG23 THR 34 HG23 THR 34 10.731 2.520 21.609 807 H THR 35 H THR 35 13.596 2.890 21.192 808 HA THR 35 HA THR 35 14.778 3.094 18.440 809 HB THR 35 HB THR 35 16.658 1.852 19.239 810 HG1 THR 35 HG1 THR 35 15.446 1.873 21.785 811 HG21 THR 35 HG21 THR 35 16.050 4.042 21.268 812 HG22 THR 35 HG22 THR 35 17.641 3.378 20.837 813 HG23 THR 35 HG23 THR 35 16.717 4.289 19.635 814 H LEU 36 H LEU 36 15.381 1.063 17.339 815 HA LEU 36 HA LEU 36 13.186 -0.756 17.164 816 HB2 LEU 36 HB2 LEU 36 14.409 -1.893 15.486 817 HB3 LEU 36 HB3 LEU 36 14.655 -0.170 15.319 818 HG LEU 36 HG LEU 36 16.901 -0.569 16.608 819 HD11 LEU 36 HD11 LEU 36 16.359 -3.389 15.589 820 HD12 LEU 36 HD12 LEU 36 17.949 -2.769 16.087 821 HD13 LEU 36 HD13 LEU 36 16.664 -2.918 17.276 822 HD21 LEU 36 HD21 LEU 36 18.024 -1.084 14.465 823 HD22 LEU 36 HD22 LEU 36 16.494 -1.664 13.780 824 HD23 LEU 36 HD23 LEU 36 16.701 0.052 14.209 825 H PHE 37 H PHE 37 15.750 -0.796 19.429 826 HA PHE 37 HA PHE 37 15.628 -3.639 20.090 827 HB2 PHE 37 HB2 PHE 37 16.737 -1.302 21.687 828 HB3 PHE 37 HB3 PHE 37 17.081 -3.010 21.934 829 HD1 PHE 37 HD1 PHE 37 18.147 -0.014 20.278 830 HD2 PHE 37 HD2 PHE 37 18.173 -4.318 19.923 831 HE1 PHE 37 HE1 PHE 37 20.011 0.126 18.647 832 HE2 PHE 37 HE2 PHE 37 20.059 -4.163 18.311 833 HZ PHE 37 HZ PHE 37 20.977 -1.935 17.676 834 H ASP 38 H ASP 38 13.321 -1.336 20.409 835 HA ASP 38 HA ASP 38 11.563 -0.864 21.656 836 HB2 ASP 38 HB2 ASP 38 11.213 -3.374 21.461 837 HB3 ASP 38 HB3 ASP 38 11.841 -3.508 23.104 838 H GLU 39 H GLU 39 14.340 -0.281 22.608 839 HA GLU 39 HA GLU 39 13.900 0.267 25.481 840 HB2 GLU 39 HB2 GLU 39 16.145 -0.470 24.787 841 HB3 GLU 39 HB3 GLU 39 16.255 0.864 23.654 842 HG2 GLU 39 HG2 GLU 39 17.583 1.371 25.572 843 HG3 GLU 39 HG3 GLU 39 16.238 2.494 25.519 844 H GLU 40 H GLU 40 13.685 2.319 26.315 845 HA GLU 40 HA GLU 40 12.914 4.496 24.411 846 HB2 GLU 40 HB2 GLU 40 11.520 3.664 26.980 847 HB3 GLU 40 HB3 GLU 40 11.210 5.178 26.118 848 HG2 GLU 40 HG2 GLU 40 10.489 3.934 24.123 849 HG3 GLU 40 HG3 GLU 40 10.853 2.398 24.917 850 H HIS 41 H HIS 41 13.301 6.575 24.989 851 HA HIS 41 HA HIS 41 14.973 7.132 27.412 852 HB2 HIS 41 HB2 HIS 41 15.576 8.197 24.633 853 HB3 HIS 41 HB3 HIS 41 16.512 8.461 26.102 854 HD2 HIS 41 HD2 HIS 41 16.139 6.076 23.188 855 HE1 HIS 41 HE1 HIS 41 18.919 4.207 25.824 856 HE2 HIS 41 HE2 HIS 41 17.871 4.129 23.505 857 H ALA 42 H ALA 42 14.960 9.326 28.113 858 HA ALA 42 HA ALA 42 12.909 11.134 26.978 859 HB1 ALA 42 HB1 ALA 42 11.766 9.787 28.725 860 HB2 ALA 42 HB2 ALA 42 12.973 10.317 29.907 861 HB3 ALA 42 HB3 ALA 42 11.893 11.513 29.171 862 H PHE 43 H PHE 43 13.404 13.228 27.068 863 HA PHE 43 HA PHE 43 15.772 14.174 28.620 864 HB2 PHE 43 HB2 PHE 43 15.253 14.611 25.681 865 HB3 PHE 43 HB3 PHE 43 16.599 15.261 26.632 866 HD1 PHE 43 HD1 PHE 43 18.243 13.621 27.709 867 HD2 PHE 43 HD2 PHE 43 15.388 12.435 24.710 868 HE1 PHE 43 HE1 PHE 43 19.516 11.524 27.315 869 HE2 PHE 43 HE2 PHE 43 16.689 10.359 24.295 870 HZ PHE 43 HZ PHE 43 18.727 9.877 25.634 871 HA PRO 44 HA PRO 44 12.377 17.219 29.202 872 HB2 PRO 44 HB2 PRO 44 13.033 18.031 31.734 873 HB3 PRO 44 HB3 PRO 44 12.088 16.552 31.381 874 HG2 PRO 44 HG2 PRO 44 15.060 16.778 31.954 875 HG3 PRO 44 HG3 PRO 44 13.882 15.587 32.606 876 HD2 PRO 44 HD2 PRO 44 15.524 14.998 30.529 877 HD3 PRO 44 HD3 PRO 44 13.866 14.338 30.641 878 H GLY 45 H GLY 45 12.333 19.413 29.057 879 HA2 GLY 45 HA2 GLY 45 13.113 21.609 28.948 880 HA3 GLY 45 HA3 GLY 45 14.767 21.068 29.220 881 H LEU 46 H LEU 46 13.372 19.182 26.778 882 HA LEU 46 HA LEU 46 14.609 20.843 24.635 883 HB2 LEU 46 HB2 LEU 46 14.247 17.833 24.747 884 HB3 LEU 46 HB3 LEU 46 14.985 18.736 23.423 885 HG LEU 46 HG LEU 46 16.122 18.462 26.234 886 HD11 LEU 46 HD11 LEU 46 17.826 17.118 25.159 887 HD12 LEU 46 HD12 LEU 46 16.241 16.479 24.673 888 HD13 LEU 46 HD13 LEU 46 17.179 17.473 23.548 889 HD21 LEU 46 HD21 LEU 46 17.223 19.887 23.772 890 HD22 LEU 46 HD22 LEU 46 16.766 20.658 25.310 891 HD23 LEU 46 HD23 LEU 46 18.147 19.553 25.253 892 H ALA 47 H ALA 47 13.824 20.687 22.540 893 HA ALA 47 HA ALA 47 11.173 19.538 21.977 894 HB1 ALA 47 HB1 ALA 47 10.652 21.881 22.538 895 HB2 ALA 47 HB2 ALA 47 11.890 22.446 21.391 896 HB3 ALA 47 HB3 ALA 47 10.451 21.599 20.793 897 H ILE 48 H ILE 48 10.901 19.260 19.575 898 HA ILE 48 HA ILE 48 13.422 18.460 18.326 899 HB ILE 48 HB ILE 48 10.615 18.467 17.197 900 HG12 ILE 48 HG12 ILE 48 12.140 16.003 18.154 901 HG13 ILE 48 HG13 ILE 48 11.145 16.924 19.268 902 HG21 ILE 48 HG21 ILE 48 13.181 17.134 16.194 903 HG22 ILE 48 HG22 ILE 48 11.570 16.860 15.522 904 HG23 ILE 48 HG23 ILE 48 12.298 18.460 15.410 905 HD11 ILE 48 HD11 ILE 48 10.147 15.556 16.742 906 HD12 ILE 48 HD12 ILE 48 9.798 15.119 18.424 907 HD13 ILE 48 HD13 ILE 48 9.168 16.633 17.766 908 H GLY 49 H GLY 49 14.703 19.724 17.129 909 HA2 GLY 49 HA2 GLY 49 13.877 22.497 16.503 910 HA3 GLY 49 HA3 GLY 49 15.514 21.836 16.523 911 H ARG 50 H ARG 50 15.348 19.702 14.753 912 HA ARG 50 HA ARG 50 14.044 20.455 12.251 913 HB2 ARG 50 HB2 ARG 50 15.991 20.805 10.903 914 HB3 ARG 50 HB3 ARG 50 15.938 22.016 12.177 915 HG2 ARG 50 HG2 ARG 50 17.750 20.858 13.367 916 HG3 ARG 50 HG3 ARG 50 17.695 19.533 12.185 917 HD2 ARG 50 HD2 ARG 50 18.015 21.661 10.494 918 HD3 ARG 50 HD3 ARG 50 18.818 22.305 11.920 919 HE ARG 50 HE ARG 50 19.533 19.916 10.271 920 HH11 ARG 50 HH11 ARG 50 21.485 19.116 10.324 921 HH12 ARG 50 HH12 ARG 50 22.705 19.664 11.480 922 HH21 ARG 50 HH21 ARG 50 20.572 21.932 12.985 923 HH22 ARG 50 HH22 ARG 50 22.174 21.238 12.961 924 H VAL 51 H VAL 51 14.518 18.981 10.464 925 HA VAL 51 HA VAL 51 15.818 16.446 11.220 926 HB VAL 51 HB VAL 51 13.204 16.264 9.711 927 HG11 VAL 51 HG11 VAL 51 14.775 14.455 9.376 928 HG12 VAL 51 HG12 VAL 51 14.975 14.246 11.116 929 HG13 VAL 51 HG13 VAL 51 13.410 13.886 10.342 930 HG21 VAL 51 HG21 VAL 51 13.592 15.842 12.697 931 HG22 VAL 51 HG22 VAL 51 12.573 17.082 11.926 932 HG23 VAL 51 HG23 VAL 51 12.159 15.375 11.745 933 H ASP 52 H ASP 52 17.288 15.966 9.791 934 HA ASP 52 HA ASP 52 17.245 17.196 7.061 935 HB2 ASP 52 HB2 ASP 52 19.523 15.916 8.600 936 HB3 ASP 52 HB3 ASP 52 19.631 16.703 7.028 937 H LEU 53 H LEU 53 15.761 15.666 6.078 938 HA LEU 53 HA LEU 53 16.237 12.820 6.214 939 HB2 LEU 53 HB2 LEU 53 14.613 14.332 4.122 940 HB3 LEU 53 HB3 LEU 53 14.616 12.613 4.410 941 HG LEU 53 HG LEU 53 12.629 13.422 5.284 942 HD11 LEU 53 HD11 LEU 53 13.658 11.715 6.672 943 HD12 LEU 53 HD12 LEU 53 14.495 12.951 7.638 944 HD13 LEU 53 HD13 LEU 53 12.727 12.839 7.674 945 HD21 LEU 53 HD21 LEU 53 14.002 15.403 7.123 946 HD22 LEU 53 HD22 LEU 53 13.283 15.819 5.548 947 HD23 LEU 53 HD23 LEU 53 12.270 15.170 6.838 948 H ARG 54 H ARG 54 17.890 15.210 4.494 949 HA ARG 54 HA ARG 54 19.109 13.717 2.353 950 HB2 ARG 54 HB2 ARG 54 20.236 15.897 4.164 951 HB3 ARG 54 HB3 ARG 54 20.981 15.348 2.658 952 HG2 ARG 54 HG2 ARG 54 18.981 16.079 1.389 953 HG3 ARG 54 HG3 ARG 54 18.243 16.689 2.877 954 HD2 ARG 54 HD2 ARG 54 20.853 17.662 1.649 955 HD3 ARG 54 HD3 ARG 54 19.290 18.471 1.538 956 HE ARG 54 HE ARG 54 19.328 18.920 3.933 957 HH11 ARG 54 HH11 ARG 54 22.483 17.861 2.763 958 HH12 ARG 54 HH12 ARG 54 23.275 18.538 4.155 959 HH21 ARG 54 HH21 ARG 54 20.312 19.672 5.545 960 HH22 ARG 54 HH22 ARG 54 22.066 19.539 5.767 961 H SER 55 H SER 55 19.536 13.502 5.814 962 HA SER 55 HA SER 55 21.752 11.526 5.478 963 HB2 SER 55 HB2 SER 55 22.592 13.811 6.026 964 HB3 SER 55 HB3 SER 55 21.619 13.791 7.502 965 HG SER 55 HG SER 55 23.843 12.166 6.816 966 H GLY 56 H GLY 56 18.764 12.282 7.073 967 HA2 GLY 56 HA2 GLY 56 17.414 10.847 8.328 968 HA3 GLY 56 HA3 GLY 56 18.748 9.707 8.517 969 H VAL 57 H VAL 57 19.242 13.103 9.273 970 HA VAL 57 HA VAL 57 19.653 12.400 12.132 971 HB VAL 57 HB VAL 57 20.507 14.864 10.587 972 HG11 VAL 57 HG11 VAL 57 20.180 15.469 12.940 973 HG12 VAL 57 HG12 VAL 57 21.059 14.014 13.474 974 HG13 VAL 57 HG13 VAL 57 21.908 15.322 12.618 975 HG21 VAL 57 HG21 VAL 57 22.790 13.922 10.906 976 HG22 VAL 57 HG22 VAL 57 22.063 12.457 11.627 977 HG23 VAL 57 HG23 VAL 57 21.767 12.859 9.930 978 H ILE 58 H ILE 58 18.188 12.811 13.569 979 HA ILE 58 HA ILE 58 16.239 15.060 13.282 980 HB ILE 58 HB ILE 58 16.360 12.606 15.069 981 HG12 ILE 58 HG12 ILE 58 14.163 13.555 13.190 982 HG13 ILE 58 HG13 ILE 58 15.429 12.417 12.725 983 HG21 ILE 58 HG21 ILE 58 14.249 13.448 16.143 984 HG22 ILE 58 HG22 ILE 58 15.645 14.412 16.520 985 HG23 ILE 58 HG23 ILE 58 14.468 14.998 15.314 986 HD11 ILE 58 HD11 ILE 58 13.261 11.964 14.786 987 HD12 ILE 58 HD12 ILE 58 13.528 11.130 13.250 988 HD13 ILE 58 HD13 ILE 58 14.671 10.891 14.582 989 H SER 59 H SER 59 16.670 16.904 14.412 990 HA SER 59 HA SER 59 18.873 16.861 16.450 991 HB2 SER 59 HB2 SER 59 19.443 18.003 14.326 992 HB3 SER 59 HB3 SER 59 18.059 19.084 14.591 993 HG SER 59 HG SER 59 20.140 19.910 15.351 994 H LEU 60 H LEU 60 18.362 17.391 18.442 995 HA LEU 60 HA LEU 60 15.779 18.762 19.066 996 HB2 LEU 60 HB2 LEU 60 17.653 16.954 20.611 997 HB3 LEU 60 HB3 LEU 60 16.491 17.977 21.429 998 HG LEU 60 HG LEU 60 14.625 16.854 20.575 999 HD11 LEU 60 HD11 LEU 60 15.125 16.469 18.245 1000 HD12 LEU 60 HD12 LEU 60 16.463 15.372 18.672 1001 HD13 LEU 60 HD13 LEU 60 14.770 14.914 18.989 1002 HD21 LEU 60 HD21 LEU 60 16.796 14.783 21.168 1003 HD22 LEU 60 HD22 LEU 60 15.830 15.666 22.374 1004 HD23 LEU 60 HD23 LEU 60 15.054 14.502 21.303 1005 H ILE 61 H ILE 61 15.699 20.529 20.356 1006 HA ILE 61 HA ILE 61 18.174 22.000 21.124 1007 HB ILE 61 HB ILE 61 17.201 24.093 20.239 1008 HG12 ILE 61 HG12 ILE 61 15.587 23.824 18.243 1009 HG13 ILE 61 HG13 ILE 61 15.096 22.295 18.963 1010 HG21 ILE 61 HG21 ILE 61 17.674 22.018 18.082 1011 HG22 ILE 61 HG22 ILE 61 17.945 23.775 17.979 1012 HG23 ILE 61 HG23 ILE 61 18.946 22.801 19.051 1013 HD11 ILE 61 HD11 ILE 61 14.268 23.515 20.948 1014 HD12 ILE 61 HD12 ILE 61 14.927 25.038 20.294 1015 HD13 ILE 61 HD13 ILE 61 13.593 24.213 19.478 1016 H GLU 62 H GLU 62 17.768 23.752 22.714 1017 HA GLU 62 HA GLU 62 16.085 22.823 24.829 1018 HB2 GLU 62 HB2 GLU 62 17.364 25.573 24.513 1019 HB3 GLU 62 HB3 GLU 62 16.698 24.843 25.979 1020 HG2 GLU 62 HG2 GLU 62 18.874 24.393 26.362 1021 HG3 GLU 62 HG3 GLU 62 18.430 22.909 25.531 1022 H GLU 63 H GLU 63 14.039 23.278 25.425 1023 HA GLU 63 HA GLU 63 12.262 24.504 23.508 1024 HB2 GLU 63 HB2 GLU 63 10.495 23.768 24.875 1025 HB3 GLU 63 HB3 GLU 63 11.723 22.529 24.840 1026 HG2 GLU 63 HG2 GLU 63 11.419 22.421 27.061 1027 HG3 GLU 63 HG3 GLU 63 12.502 23.801 27.120 1028 H GLN 64 H GLN 64 14.034 25.889 26.031 1029 HA GLN 64 HA GLN 64 12.918 28.522 25.292 1030 HB2 GLN 64 HB2 GLN 64 13.508 27.643 28.153 1031 HB3 GLN 64 HB3 GLN 64 13.404 29.333 27.660 1032 HG2 GLN 64 HG2 GLN 64 11.069 29.079 26.991 1033 HG3 GLN 64 HG3 GLN 64 11.136 27.345 27.282 1034 HE21 GLN 64 HE21 GLN 64 10.595 26.577 29.312 1035 HE22 GLN 64 HE22 GLN 64 10.388 27.625 30.724 1036 H ASN 65 H ASN 65 14.503 29.952 24.775 1037 HA ASN 65 HA ASN 65 17.196 28.839 24.501 1038 HB2 ASN 65 HB2 ASN 65 16.091 31.492 23.512 1039 HB3 ASN 65 HB3 ASN 65 17.571 30.692 22.980 1040 HD21 ASN 65 HD21 ASN 65 16.659 28.000 22.608 1041 HD22 ASN 65 HD22 ASN 65 15.464 28.042 21.323 1042 H ARG 66 H ARG 66 15.995 30.273 27.123 1043 HA ARG 66 HA ARG 66 18.585 31.333 28.021 1044 HB2 ARG 66 HB2 ARG 66 17.708 33.468 28.776 1045 HB3 ARG 66 HB3 ARG 66 17.544 33.312 27.032 1046 HG2 ARG 66 HG2 ARG 66 15.112 32.726 27.338 1047 HG3 ARG 66 HG3 ARG 66 15.283 33.004 29.081 1048 HD2 ARG 66 HD2 ARG 66 15.815 35.056 26.901 1049 HD3 ARG 66 HD3 ARG 66 14.316 34.930 27.820 1050 HE ARG 66 HE ARG 66 16.354 35.154 29.727 1051 HH11 ARG 66 HH11 ARG 66 16.507 38.564 29.998 1052 HH12 ARG 66 HH12 ARG 66 16.900 37.039 30.733 1053 HH21 ARG 66 HH21 ARG 66 15.013 37.207 27.227 1054 HH22 ARG 66 HH22 ARG 66 15.465 38.669 28.065 Start of MODEL 3 1 H1 GLY -3 H1 GLY -3 23.522 0.781 -7.866 2 H2 GLY -3 H2 GLY -3 24.411 1.980 -8.546 3 H3 GLY -3 H3 GLY -3 22.889 2.277 -8.024 4 HA2 GLY -3 HA2 GLY -3 25.175 1.570 -6.302 5 HA3 GLY -3 HA3 GLY -3 24.480 3.195 -6.473 6 HA PRO -2 HA PRO -2 22.388 1.377 -2.806 7 HB2 PRO -2 HB2 PRO -2 21.781 3.713 -1.535 8 HB3 PRO -2 HB3 PRO -2 23.422 2.996 -1.520 9 HG2 PRO -2 HG2 PRO -2 22.361 5.172 -3.354 10 HG3 PRO -2 HG3 PRO -2 23.875 5.176 -2.383 11 HD2 PRO -2 HD2 PRO -2 23.867 4.488 -5.014 12 HD3 PRO -2 HD3 PRO -2 24.918 3.627 -3.836 13 H GLY -1 H GLY -1 20.212 1.299 -2.097 14 HA2 GLY -1 HA2 GLY -1 18.185 1.967 -4.145 15 HA3 GLY -1 HA3 GLY -1 17.977 0.950 -2.727 16 H SER 0 H SER 0 19.261 3.184 -1.097 17 HA SER 0 HA SER 0 18.687 4.842 0.293 18 HB2 SER 0 HB2 SER 0 18.544 6.244 -1.662 19 HB3 SER 0 HB3 SER 0 16.849 5.813 -1.908 20 HG SER 0 HG SER 0 17.312 7.845 -0.766 21 H MET 1 H MET 1 17.203 5.582 1.856 22 HA MET 1 HA MET 1 14.931 3.790 2.419 23 HB2 MET 1 HB2 MET 1 14.749 4.912 4.529 24 HB3 MET 1 HB3 MET 1 16.440 4.538 4.247 25 HG2 MET 1 HG2 MET 1 16.773 6.915 3.454 26 HG3 MET 1 HG3 MET 1 15.103 7.264 3.883 27 HE1 MET 1 HE1 MET 1 15.021 7.146 7.733 28 HE2 MET 1 HE2 MET 1 14.133 7.417 6.221 29 HE3 MET 1 HE3 MET 1 14.627 5.772 6.690 30 H CYS 2 H CYS 2 15.414 6.506 0.627 31 HA CYS 2 HA CYS 2 14.227 8.095 -0.415 32 HB2 CYS 2 HB2 CYS 2 11.810 6.361 0.209 33 HB3 CYS 2 HB3 CYS 2 11.841 7.686 -0.953 34 HG CYS 2 HG CYS 2 13.615 6.740 -2.567 35 H MET 3 H MET 3 12.629 9.841 -0.289 36 HA MET 3 HA MET 3 12.915 11.239 2.194 37 HB2 MET 3 HB2 MET 3 11.344 11.816 -0.343 38 HB3 MET 3 HB3 MET 3 11.340 12.890 1.056 39 HG2 MET 3 HG2 MET 3 12.969 13.797 -0.336 40 HG3 MET 3 HG3 MET 3 13.856 12.959 0.935 41 HE1 MET 3 HE1 MET 3 12.185 11.850 -2.562 42 HE2 MET 3 HE2 MET 3 13.078 13.372 -2.792 43 HE3 MET 3 HE3 MET 3 13.652 11.878 -3.557 44 H ALA 4 H ALA 4 11.420 12.039 3.628 45 HA ALA 4 HA ALA 4 9.056 10.408 4.273 46 HB1 ALA 4 HB1 ALA 4 10.274 12.902 5.557 47 HB2 ALA 4 HB2 ALA 4 9.039 11.867 6.276 48 HB3 ALA 4 HB3 ALA 4 10.654 11.218 5.994 49 H LYS 5 H LYS 5 7.206 12.002 5.175 50 HA LYS 5 HA LYS 5 6.801 14.369 3.417 51 HB2 LYS 5 HB2 LYS 5 4.442 14.017 3.183 52 HB3 LYS 5 HB3 LYS 5 5.298 12.624 2.530 53 HG2 LYS 5 HG2 LYS 5 4.738 11.298 4.511 54 HG3 LYS 5 HG3 LYS 5 3.988 12.709 5.284 55 HD2 LYS 5 HD2 LYS 5 2.352 12.853 3.422 56 HD3 LYS 5 HD3 LYS 5 3.059 11.387 2.708 57 HE2 LYS 5 HE2 LYS 5 2.467 10.088 4.700 58 HE3 LYS 5 HE3 LYS 5 1.873 11.543 5.514 59 HZ1 LYS 5 HZ1 LYS 5 0.172 11.745 3.800 60 HZ2 LYS 5 HZ2 LYS 5 0.707 10.401 3.035 61 HZ3 LYS 5 HZ3 LYS 5 0.040 10.291 4.528 62 H VAL 6 H VAL 6 5.618 16.078 4.348 63 HA VAL 6 HA VAL 6 5.562 16.072 7.339 64 HB VAL 6 HB VAL 6 5.417 18.518 5.581 65 HG11 VAL 6 HG11 VAL 6 4.539 18.923 7.819 66 HG12 VAL 6 HG12 VAL 6 5.984 18.180 8.552 67 HG13 VAL 6 HG13 VAL 6 6.103 19.701 7.647 68 HG21 VAL 6 HG21 VAL 6 7.782 18.926 6.256 69 HG22 VAL 6 HG22 VAL 6 7.860 17.276 6.895 70 HG23 VAL 6 HG23 VAL 6 7.581 17.559 5.154 71 H VAL 7 H VAL 7 3.671 16.572 8.444 72 HA VAL 7 HA VAL 7 1.294 17.437 6.890 73 HB VAL 7 HB VAL 7 1.026 15.043 7.183 74 HG11 VAL 7 HG11 VAL 7 1.063 15.529 10.191 75 HG12 VAL 7 HG12 VAL 7 0.667 14.009 9.371 76 HG13 VAL 7 HG13 VAL 7 2.306 14.667 9.266 77 HG21 VAL 7 HG21 VAL 7 -0.912 16.498 9.023 78 HG22 VAL 7 HG22 VAL 7 -0.969 16.543 7.246 79 HG23 VAL 7 HG23 VAL 7 -1.200 15.006 8.109 80 H LEU 8 H LEU 8 -0.050 18.882 7.852 81 HA LEU 8 HA LEU 8 0.372 19.667 10.659 82 HB2 LEU 8 HB2 LEU 8 0.856 21.962 10.203 83 HB3 LEU 8 HB3 LEU 8 2.018 20.935 9.385 84 HG LEU 8 HG LEU 8 0.412 21.279 7.286 85 HD11 LEU 8 HD11 LEU 8 -0.467 23.617 7.228 86 HD12 LEU 8 HD12 LEU 8 -1.331 22.647 8.406 87 HD13 LEU 8 HD13 LEU 8 -0.091 23.797 8.956 88 HD21 LEU 8 HD21 LEU 8 1.797 23.198 6.618 89 HD22 LEU 8 HD22 LEU 8 2.322 23.421 8.295 90 HD23 LEU 8 HD23 LEU 8 2.771 21.951 7.396 91 H THR 9 H THR 9 -1.245 21.068 11.510 92 HA THR 9 HA THR 9 -3.871 20.923 10.077 93 HB THR 9 HB THR 9 -3.497 21.074 13.080 94 HG1 THR 9 HG1 THR 9 -2.703 19.114 12.334 95 HG21 THR 9 HG21 THR 9 -5.888 20.318 11.324 96 HG22 THR 9 HG22 THR 9 -5.846 20.258 13.100 97 HG23 THR 9 HG23 THR 9 -5.724 21.817 12.272 98 H LYS 10 H LYS 10 -4.923 22.741 9.669 99 HA LYS 10 HA LYS 10 -3.705 25.372 10.191 100 HB2 LYS 10 HB2 LYS 10 -6.229 24.542 8.702 101 HB3 LYS 10 HB3 LYS 10 -5.535 26.168 8.726 102 HG2 LYS 10 HG2 LYS 10 -3.427 25.220 7.699 103 HG3 LYS 10 HG3 LYS 10 -4.276 23.682 7.498 104 HD2 LYS 10 HD2 LYS 10 -5.163 26.351 6.322 105 HD3 LYS 10 HD3 LYS 10 -4.247 25.119 5.452 106 HE2 LYS 10 HE2 LYS 10 -6.098 23.501 5.749 107 HE3 LYS 10 HE3 LYS 10 -7.033 24.705 6.642 108 HZ1 LYS 10 HZ1 LYS 10 -7.691 24.631 4.309 109 HZ2 LYS 10 HZ2 LYS 10 -7.038 26.095 4.648 110 HZ3 LYS 10 HZ3 LYS 10 -6.177 24.987 3.812 111 H ALA 11 H ALA 11 -4.948 27.177 10.999 112 HA ALA 11 HA ALA 11 -6.331 26.770 13.460 113 HB1 ALA 11 HB1 ALA 11 -5.089 28.823 12.857 114 HB2 ALA 11 HB2 ALA 11 -6.286 29.181 11.585 115 HB3 ALA 11 HB3 ALA 11 -6.774 29.197 13.292 116 H ASP 12 H ASP 12 -7.534 26.812 10.172 117 HA ASP 12 HA ASP 12 -10.362 27.060 10.812 118 HB2 ASP 12 HB2 ASP 12 -8.967 25.988 8.331 119 HB3 ASP 12 HB3 ASP 12 -10.678 26.395 8.453 120 H GLY 13 H GLY 13 -8.236 24.518 11.450 121 HA2 GLY 13 HA2 GLY 13 -8.672 22.421 12.314 122 HA3 GLY 13 HA3 GLY 13 -10.371 22.538 11.850 123 H GLY 14 H GLY 14 -8.897 23.301 9.043 124 HA2 GLY 14 HA2 GLY 14 -8.981 20.629 7.846 125 HA3 GLY 14 HA3 GLY 14 -8.555 22.136 7.045 126 H ARG 15 H ARG 15 -7.092 19.918 6.442 127 HA ARG 15 HA ARG 15 -4.460 20.334 7.816 128 HB2 ARG 15 HB2 ARG 15 -5.837 17.721 7.142 129 HB3 ARG 15 HB3 ARG 15 -4.089 17.840 7.401 130 HG2 ARG 15 HG2 ARG 15 -4.440 18.832 9.610 131 HG3 ARG 15 HG3 ARG 15 -6.197 18.698 9.421 132 HD2 ARG 15 HD2 ARG 15 -6.123 16.317 9.466 133 HD3 ARG 15 HD3 ARG 15 -4.343 16.303 9.326 134 HE ARG 15 HE ARG 15 -4.666 17.777 11.564 135 HH11 ARG 15 HH11 ARG 15 -5.996 14.611 10.817 136 HH12 ARG 15 HH12 ARG 15 -6.028 14.148 12.501 137 HH21 ARG 15 HH21 ARG 15 -4.720 17.133 13.628 138 HH22 ARG 15 HH22 ARG 15 -5.319 15.547 14.063 139 H VAL 16 H VAL 16 -2.611 19.926 6.752 140 HA VAL 16 HA VAL 16 -2.660 19.981 3.754 141 HB VAL 16 HB VAL 16 -1.120 21.844 5.597 142 HG11 VAL 16 HG11 VAL 16 -0.265 22.917 3.537 143 HG12 VAL 16 HG12 VAL 16 0.343 21.273 3.728 144 HG13 VAL 16 HG13 VAL 16 -0.975 21.605 2.571 145 HG21 VAL 16 HG21 VAL 16 -3.263 22.410 3.516 146 HG22 VAL 16 HG22 VAL 16 -3.443 22.571 5.267 147 HG23 VAL 16 HG23 VAL 16 -2.341 23.639 4.410 148 H GLU 17 H GLU 17 -0.971 18.924 2.766 149 HA GLU 17 HA GLU 17 1.071 17.584 4.462 150 HB2 GLU 17 HB2 GLU 17 -0.509 16.281 2.216 151 HB3 GLU 17 HB3 GLU 17 0.892 15.573 3.020 152 HG2 GLU 17 HG2 GLU 17 -0.301 15.563 5.158 153 HG3 GLU 17 HG3 GLU 17 -1.714 16.323 4.424 154 H ILE 18 H ILE 18 3.071 17.246 3.548 155 HA ILE 18 HA ILE 18 3.651 18.440 0.851 156 HB ILE 18 HB ILE 18 5.259 18.866 3.387 157 HG12 ILE 18 HG12 ILE 18 3.812 21.004 1.761 158 HG13 ILE 18 HG13 ILE 18 3.102 20.260 3.183 159 HG21 ILE 18 HG21 ILE 18 6.696 20.321 1.995 160 HG22 ILE 18 HG22 ILE 18 6.699 18.672 1.386 161 HG23 ILE 18 HG23 ILE 18 5.727 19.920 0.569 162 HD11 ILE 18 HD11 ILE 18 4.051 22.296 3.892 163 HD12 ILE 18 HD12 ILE 18 5.046 20.989 4.560 164 HD13 ILE 18 HD13 ILE 18 5.625 21.925 3.163 165 H GLY 19 H GLY 19 4.048 16.632 -0.269 166 HA2 GLY 19 HA2 GLY 19 5.322 14.268 0.842 167 HA3 GLY 19 HA3 GLY 19 4.826 14.517 -0.830 168 H ASP 20 H ASP 20 7.189 13.250 0.075 169 HA ASP 20 HA ASP 20 9.376 13.049 -0.326 170 HB2 ASP 20 HB2 ASP 20 8.674 14.720 -2.742 171 HB3 ASP 20 HB3 ASP 20 10.101 13.679 -2.574 172 H VAL 21 H VAL 21 9.208 14.741 1.654 173 HA VAL 21 HA VAL 21 10.549 17.280 1.207 174 HB VAL 21 HB VAL 21 8.795 16.914 2.917 175 HG11 VAL 21 HG11 VAL 21 10.938 15.596 4.603 176 HG12 VAL 21 HG12 VAL 21 9.268 15.934 5.062 177 HG13 VAL 21 HG13 VAL 21 9.621 14.714 3.829 178 HG21 VAL 21 HG21 VAL 21 11.436 17.944 4.003 179 HG22 VAL 21 HG22 VAL 21 10.269 18.858 3.018 180 HG23 VAL 21 HG23 VAL 21 9.833 18.290 4.626 181 H LEU 22 H LEU 22 12.613 17.877 1.496 182 HA LEU 22 HA LEU 22 14.681 15.784 1.928 183 HB2 LEU 22 HB2 LEU 22 14.857 18.688 1.048 184 HB3 LEU 22 HB3 LEU 22 16.229 17.602 1.205 185 HG LEU 22 HG LEU 22 13.947 17.268 -0.782 186 HD11 LEU 22 HD11 LEU 22 15.744 17.831 -2.426 187 HD12 LEU 22 HD12 LEU 22 15.401 19.169 -1.311 188 HD13 LEU 22 HD13 LEU 22 16.850 18.162 -1.090 189 HD21 LEU 22 HD21 LEU 22 14.957 15.076 -0.139 190 HD22 LEU 22 HD22 LEU 22 15.346 15.523 -1.800 191 HD23 LEU 22 HD23 LEU 22 16.568 15.716 -0.538 192 H GLU 23 H GLU 23 13.497 18.847 3.410 193 HA GLU 23 HA GLU 23 14.937 18.188 5.887 194 HB2 GLU 23 HB2 GLU 23 16.683 19.216 4.572 195 HB3 GLU 23 HB3 GLU 23 15.656 20.608 4.183 196 HG2 GLU 23 HG2 GLU 23 15.685 21.362 6.492 197 HG3 GLU 23 HG3 GLU 23 16.482 19.879 7.017 198 H VAL 24 H VAL 24 14.191 19.223 7.690 199 HA VAL 24 HA VAL 24 12.082 21.291 7.447 200 HB VAL 24 HB VAL 24 11.795 18.911 9.305 201 HG11 VAL 24 HG11 VAL 24 10.654 20.987 10.072 202 HG12 VAL 24 HG12 VAL 24 9.811 21.084 8.518 203 HG13 VAL 24 HG13 VAL 24 9.501 19.732 9.626 204 HG21 VAL 24 HG21 VAL 24 10.431 19.425 6.665 205 HG22 VAL 24 HG22 VAL 24 11.448 18.028 7.079 206 HG23 VAL 24 HG23 VAL 24 9.871 18.242 7.844 207 H ARG 25 H ARG 25 12.158 22.841 8.998 208 HA ARG 25 HA ARG 25 14.079 22.568 11.296 209 HB2 ARG 25 HB2 ARG 25 13.930 24.960 9.416 210 HB3 ARG 25 HB3 ARG 25 14.894 24.845 10.879 211 HG2 ARG 25 HG2 ARG 25 16.215 23.007 9.867 212 HG3 ARG 25 HG3 ARG 25 15.251 23.121 8.383 213 HD2 ARG 25 HD2 ARG 25 15.978 25.512 8.138 214 HD3 ARG 25 HD3 ARG 25 17.014 25.321 9.562 215 HE ARG 25 HE ARG 25 17.724 23.235 7.800 216 HH11 ARG 25 HH11 ARG 25 17.920 26.744 7.689 217 HH12 ARG 25 HH12 ARG 25 19.243 26.689 6.544 218 HH21 ARG 25 HH21 ARG 25 19.263 23.239 6.390 219 HH22 ARG 25 HH22 ARG 25 20.017 24.730 5.822 220 H ALA 26 H ALA 26 13.373 23.400 13.172 221 HA ALA 26 HA ALA 26 10.960 25.165 13.202 222 HB1 ALA 26 HB1 ALA 26 11.703 22.930 15.136 223 HB2 ALA 26 HB2 ALA 26 10.284 23.999 15.258 224 HB3 ALA 26 HB3 ALA 26 10.422 22.861 13.903 225 H GLU 27 H GLU 27 11.349 27.098 14.024 226 HA GLU 27 HA GLU 27 13.162 27.555 16.292 227 HB2 GLU 27 HB2 GLU 27 14.765 27.452 14.506 228 HB3 GLU 27 HB3 GLU 27 13.852 28.540 13.490 229 HG2 GLU 27 HG2 GLU 27 14.960 29.367 16.209 230 HG3 GLU 27 HG3 GLU 27 15.949 29.381 14.759 231 H GLY 28 H GLY 28 12.666 29.436 17.405 232 HA2 GLY 28 HA2 GLY 28 11.533 31.324 18.027 233 HA3 GLY 28 HA3 GLY 28 11.573 31.782 16.323 234 H GLY 29 H GLY 29 9.808 28.894 17.260 235 HA2 GLY 29 HA2 GLY 29 7.549 28.396 17.385 236 HA3 GLY 29 HA3 GLY 29 7.162 30.114 17.460 237 H ALA 30 H ALA 30 9.127 28.955 14.762 238 HA ALA 30 HA ALA 30 6.751 28.631 13.013 239 HB1 ALA 30 HB1 ALA 30 9.130 30.458 12.427 240 HB2 ALA 30 HB2 ALA 30 7.816 30.068 11.291 241 HB3 ALA 30 HB3 ALA 30 7.472 30.979 12.774 242 H VAL 31 H VAL 31 6.937 27.191 11.372 243 HA VAL 31 HA VAL 31 9.461 25.575 11.319 244 HB VAL 31 HB VAL 31 6.627 24.686 10.705 245 HG11 VAL 31 HG11 VAL 31 8.101 23.483 9.175 246 HG12 VAL 31 HG12 VAL 31 9.278 23.182 10.485 247 HG13 VAL 31 HG13 VAL 31 7.693 22.403 10.503 248 HG21 VAL 31 HG21 VAL 31 8.644 23.922 12.857 249 HG22 VAL 31 HG22 VAL 31 7.187 24.897 13.095 250 HG23 VAL 31 HG23 VAL 31 7.032 23.199 12.641 251 H ARG 32 H ARG 32 10.535 25.165 9.516 252 HA ARG 32 HA ARG 32 9.594 26.282 6.902 253 HB2 ARG 32 HB2 ARG 32 12.441 26.095 7.942 254 HB3 ARG 32 HB3 ARG 32 11.980 26.524 6.311 255 HG2 ARG 32 HG2 ARG 32 12.528 28.526 7.416 256 HG3 ARG 32 HG3 ARG 32 10.771 28.555 7.191 257 HD2 ARG 32 HD2 ARG 32 10.369 28.242 9.500 258 HD3 ARG 32 HD3 ARG 32 11.982 27.542 9.772 259 HE ARG 32 HE ARG 32 12.243 30.265 8.900 260 HH11 ARG 32 HH11 ARG 32 11.189 28.533 11.792 261 HH12 ARG 32 HH12 ARG 32 11.910 29.726 12.832 262 HH21 ARG 32 HH21 ARG 32 13.179 31.695 10.366 263 HH22 ARG 32 HH22 ARG 32 13.100 31.306 12.084 264 H VAL 33 H VAL 33 10.027 25.066 5.070 265 HA VAL 33 HA VAL 33 10.894 22.220 5.421 266 HB VAL 33 HB VAL 33 8.481 22.891 3.762 267 HG11 VAL 33 HG11 VAL 33 9.394 20.820 3.276 268 HG12 VAL 33 HG12 VAL 33 9.433 20.379 5.013 269 HG13 VAL 33 HG13 VAL 33 7.892 20.562 4.157 270 HG21 VAL 33 HG21 VAL 33 7.795 23.633 6.046 271 HG22 VAL 33 HG22 VAL 33 6.996 22.126 5.626 272 HG23 VAL 33 HG23 VAL 33 8.395 22.097 6.714 273 H THR 34 H THR 34 11.947 21.334 3.663 274 HA THR 34 HA THR 34 12.121 22.913 1.111 275 HB THR 34 HB THR 34 14.397 21.453 2.497 276 HG1 THR 34 HG1 THR 34 13.874 23.414 3.490 277 HG21 THR 34 HG21 THR 34 14.355 23.135 -0.040 278 HG22 THR 34 HG22 THR 34 15.817 22.578 0.791 279 HG23 THR 34 HG23 THR 34 14.716 21.396 0.074 280 H THR 35 H THR 35 11.884 21.727 -0.768 281 HA THR 35 HA THR 35 11.619 18.744 -0.516 282 HB THR 35 HB THR 35 9.764 18.761 -2.009 283 HG1 THR 35 HG1 THR 35 8.891 20.711 -2.768 284 HG21 THR 35 HG21 THR 35 9.228 20.949 0.036 285 HG22 THR 35 HG22 THR 35 8.048 19.870 -0.737 286 HG23 THR 35 HG23 THR 35 9.238 19.207 0.393 287 H LEU 36 H LEU 36 11.647 17.569 -2.606 288 HA LEU 36 HA LEU 36 14.129 17.964 -3.884 289 HB2 LEU 36 HB2 LEU 36 13.742 15.979 -4.976 290 HB3 LEU 36 HB3 LEU 36 12.847 15.789 -3.490 291 HG LEU 36 HG LEU 36 11.681 16.431 -6.255 292 HD11 LEU 36 HD11 LEU 36 11.512 13.922 -4.543 293 HD12 LEU 36 HD12 LEU 36 10.741 14.185 -6.124 294 HD13 LEU 36 HD13 LEU 36 12.507 14.124 -5.994 295 HD21 LEU 36 HD21 LEU 36 10.215 17.459 -4.627 296 HD22 LEU 36 HD22 LEU 36 9.468 15.945 -5.131 297 HD23 LEU 36 HD23 LEU 36 10.313 16.047 -3.569 298 H PHE 37 H PHE 37 11.214 19.535 -4.690 299 HA PHE 37 HA PHE 37 11.845 19.989 -7.520 300 HB2 PHE 37 HB2 PHE 37 9.814 21.344 -5.704 301 HB3 PHE 37 HB3 PHE 37 9.860 21.428 -7.462 302 HD1 PHE 37 HD1 PHE 37 10.031 18.894 -8.579 303 HD2 PHE 37 HD2 PHE 37 8.099 19.983 -4.879 304 HE1 PHE 37 HE1 PHE 37 8.586 16.884 -8.749 305 HE2 PHE 37 HE2 PHE 37 6.633 17.971 -5.057 306 HZ PHE 37 HZ PHE 37 6.878 16.423 -6.989 307 H ASP 38 H ASP 38 13.461 21.036 -4.937 308 HA ASP 38 HA ASP 38 14.692 22.735 -4.268 309 HB2 ASP 38 HB2 ASP 38 15.594 22.575 -6.619 310 HB3 ASP 38 HB3 ASP 38 14.563 23.930 -7.050 311 H GLU 39 H GLU 39 11.823 22.819 -4.036 312 HA GLU 39 HA GLU 39 11.213 25.725 -3.802 313 HB2 GLU 39 HB2 GLU 39 9.437 23.273 -3.546 314 HB3 GLU 39 HB3 GLU 39 8.931 24.930 -3.160 315 HG2 GLU 39 HG2 GLU 39 9.563 25.621 -5.481 316 HG3 GLU 39 HG3 GLU 39 9.871 23.929 -5.865 317 H GLU 40 H GLU 40 10.453 26.599 -1.921 318 HA GLU 40 HA GLU 40 11.040 25.198 0.637 319 HB2 GLU 40 HB2 GLU 40 11.975 27.994 -0.092 320 HB3 GLU 40 HB3 GLU 40 11.937 27.331 1.549 321 HG2 GLU 40 HG2 GLU 40 13.479 25.533 0.895 322 HG3 GLU 40 HG3 GLU 40 13.507 26.127 -0.757 323 H HIS 41 H HIS 41 9.796 25.730 2.347 324 HA HIS 41 HA HIS 41 7.419 27.499 1.956 325 HB2 HIS 41 HB2 HIS 41 7.248 24.685 3.077 326 HB3 HIS 41 HB3 HIS 41 5.932 25.772 2.655 327 HD2 HIS 41 HD2 HIS 41 8.274 23.158 1.185 328 HE1 HIS 41 HE1 HIS 41 6.021 24.609 -2.128 329 HE2 HIS 41 HE2 HIS 41 7.676 22.837 -1.358 330 H ALA 42 H ALA 42 6.401 28.207 3.917 331 HA ALA 42 HA ALA 42 7.781 27.651 6.466 332 HB1 ALA 42 HB1 ALA 42 8.184 30.010 6.931 333 HB2 ALA 42 HB2 ALA 42 9.037 29.530 5.450 334 HB3 ALA 42 HB3 ALA 42 7.532 30.466 5.340 335 H PHE 43 H PHE 43 6.590 27.871 8.242 336 HA PHE 43 HA PHE 43 3.725 28.704 8.072 337 HB2 PHE 43 HB2 PHE 43 4.739 26.038 9.091 338 HB3 PHE 43 HB3 PHE 43 3.074 26.605 9.083 339 HD1 PHE 43 HD1 PHE 43 5.773 25.120 7.112 340 HD2 PHE 43 HD2 PHE 43 1.849 26.893 6.887 341 HE1 PHE 43 HE1 PHE 43 5.489 24.215 4.819 342 HE2 PHE 43 HE2 PHE 43 1.567 25.971 4.596 343 HZ PHE 43 HZ PHE 43 3.396 24.648 3.554 344 HA PRO 44 HA PRO 44 5.348 30.381 12.034 345 HB2 PRO 44 HB2 PRO 44 3.004 32.192 11.497 346 HB3 PRO 44 HB3 PRO 44 4.632 32.602 12.132 347 HG2 PRO 44 HG2 PRO 44 4.012 33.138 9.543 348 HG3 PRO 44 HG3 PRO 44 5.601 32.417 9.942 349 HD2 PRO 44 HD2 PRO 44 3.092 30.989 8.983 350 HD3 PRO 44 HD3 PRO 44 4.772 30.838 8.389 351 H GLY 45 H GLY 45 4.534 30.192 14.112 352 HA2 GLY 45 HA2 GLY 45 3.012 29.859 15.833 353 HA3 GLY 45 HA3 GLY 45 1.705 29.578 14.676 354 H LEU 46 H LEU 46 4.486 27.706 13.978 355 HA LEU 46 HA LEU 46 3.302 25.299 15.278 356 HB2 LEU 46 HB2 LEU 46 4.649 25.513 12.557 357 HB3 LEU 46 HB3 LEU 46 4.105 24.017 13.304 358 HG LEU 46 HG LEU 46 2.337 26.292 12.342 359 HD11 LEU 46 HD11 LEU 46 2.594 23.400 11.422 360 HD12 LEU 46 HD12 LEU 46 1.613 24.684 10.672 361 HD13 LEU 46 HD13 LEU 46 3.380 24.772 10.623 362 HD21 LEU 46 HD21 LEU 46 1.235 25.274 14.291 363 HD22 LEU 46 HD22 LEU 46 0.438 24.728 12.816 364 HD23 LEU 46 HD23 LEU 46 1.567 23.645 13.649 365 H ALA 47 H ALA 47 4.646 23.548 15.666 366 HA ALA 47 HA ALA 47 7.567 23.769 15.460 367 HB1 ALA 47 HB1 ALA 47 6.136 23.139 18.079 368 HB2 ALA 47 HB2 ALA 47 7.894 23.004 17.807 369 HB3 ALA 47 HB3 ALA 47 7.104 24.595 17.756 370 H ILE 48 H ILE 48 8.578 21.573 15.632 371 HA ILE 48 HA ILE 48 6.909 19.541 14.351 372 HB ILE 48 HB ILE 48 9.742 19.370 15.405 373 HG12 ILE 48 HG12 ILE 48 8.929 19.498 12.466 374 HG13 ILE 48 HG13 ILE 48 9.180 20.977 13.376 375 HG21 ILE 48 HG21 ILE 48 8.759 17.123 15.274 376 HG22 ILE 48 HG22 ILE 48 8.114 17.459 13.652 377 HG23 ILE 48 HG23 ILE 48 9.858 17.315 13.921 378 HD11 ILE 48 HD11 ILE 48 11.268 18.818 12.965 379 HD12 ILE 48 HD12 ILE 48 11.229 20.423 12.220 380 HD13 ILE 48 HD13 ILE 48 11.485 20.266 13.973 381 H GLY 49 H GLY 49 5.546 18.262 15.372 382 HA2 GLY 49 HA2 GLY 49 5.525 18.005 18.314 383 HA3 GLY 49 HA3 GLY 49 4.274 17.503 17.177 384 H ARG 50 H ARG 50 5.923 15.890 15.436 385 HA ARG 50 HA ARG 50 7.545 14.071 16.980 386 HB2 ARG 50 HB2 ARG 50 6.295 12.022 16.723 387 HB3 ARG 50 HB3 ARG 50 5.335 13.169 17.647 388 HG2 ARG 50 HG2 ARG 50 3.915 13.617 15.714 389 HG3 ARG 50 HG3 ARG 50 4.930 12.567 14.692 390 HD2 ARG 50 HD2 ARG 50 4.428 10.733 16.426 391 HD3 ARG 50 HD3 ARG 50 3.138 11.790 17.017 392 HE ARG 50 HE ARG 50 2.266 11.731 14.604 393 HH11 ARG 50 HH11 ARG 50 3.960 8.933 15.952 394 HH12 ARG 50 HH12 ARG 50 3.547 7.939 14.581 395 HH21 ARG 50 HH21 ARG 50 1.597 10.315 13.033 396 HH22 ARG 50 HH22 ARG 50 2.077 8.636 13.109 397 H VAL 51 H VAL 51 8.572 12.423 15.752 398 HA VAL 51 HA VAL 51 8.104 12.469 12.814 399 HB VAL 51 HB VAL 51 10.900 12.227 13.968 400 HG11 VAL 51 HG11 VAL 51 10.630 10.960 11.915 401 HG12 VAL 51 HG12 VAL 51 9.829 12.327 11.125 402 HG13 VAL 51 HG13 VAL 51 11.548 12.419 11.567 403 HG21 VAL 51 HG21 VAL 51 11.353 14.386 12.862 404 HG22 VAL 51 HG22 VAL 51 9.611 14.580 12.549 405 HG23 VAL 51 HG23 VAL 51 10.237 14.547 14.212 406 H ASP 52 H ASP 52 7.540 10.539 12.141 407 HA ASP 52 HA ASP 52 8.156 8.134 13.813 408 HB2 ASP 52 HB2 ASP 52 5.814 8.943 13.855 409 HB3 ASP 52 HB3 ASP 52 5.691 8.684 12.115 410 H LEU 53 H LEU 53 9.674 6.985 12.896 411 HA LEU 53 HA LEU 53 10.243 7.144 10.023 412 HB2 LEU 53 HB2 LEU 53 11.659 5.673 12.287 413 HB3 LEU 53 HB3 LEU 53 12.218 5.793 10.634 414 HG LEU 53 HG LEU 53 13.498 7.280 11.889 415 HD11 LEU 53 HD11 LEU 53 13.141 9.431 10.810 416 HD12 LEU 53 HD12 LEU 53 12.823 8.127 9.668 417 HD13 LEU 53 HD13 LEU 53 11.467 9.009 10.423 418 HD21 LEU 53 HD21 LEU 53 12.780 9.091 13.264 419 HD22 LEU 53 HD22 LEU 53 11.083 8.829 12.883 420 HD23 LEU 53 HD23 LEU 53 11.973 7.625 13.841 421 H ARG 54 H ARG 54 8.298 5.128 11.935 422 HA ARG 54 HA ARG 54 8.587 2.629 10.416 423 HB2 ARG 54 HB2 ARG 54 6.283 3.582 12.163 424 HB3 ARG 54 HB3 ARG 54 6.561 1.943 11.617 425 HG2 ARG 54 HG2 ARG 54 8.465 1.634 13.003 426 HG3 ARG 54 HG3 ARG 54 8.624 3.365 13.361 427 HD2 ARG 54 HD2 ARG 54 6.262 1.663 14.241 428 HD3 ARG 54 HD3 ARG 54 7.689 2.049 15.234 429 HE ARG 54 HE ARG 54 6.321 4.394 14.070 430 HH11 ARG 54 HH11 ARG 54 6.741 2.525 17.021 431 HH12 ARG 54 HH12 ARG 54 5.973 3.763 17.982 432 HH21 ARG 54 HH21 ARG 54 5.153 5.742 15.296 433 HH22 ARG 54 HH22 ARG 54 5.290 5.629 17.057 434 H SER 55 H SER 55 6.389 5.418 10.380 435 HA SER 55 HA SER 55 5.049 4.521 7.894 436 HB2 SER 55 HB2 SER 55 3.529 6.398 8.344 437 HB3 SER 55 HB3 SER 55 3.641 5.294 9.728 438 HG SER 55 HG SER 55 3.778 7.480 10.383 439 H GLY 56 H GLY 56 7.461 6.869 8.933 440 HA2 GLY 56 HA2 GLY 56 8.922 8.103 7.620 441 HA3 GLY 56 HA3 GLY 56 8.035 7.683 6.157 442 H VAL 57 H VAL 57 6.872 9.209 9.198 443 HA VAL 57 HA VAL 57 5.939 11.579 7.607 444 HB VAL 57 HB VAL 57 4.394 10.091 9.761 445 HG11 VAL 57 HG11 VAL 57 3.669 12.584 8.160 446 HG12 VAL 57 HG12 VAL 57 2.538 11.657 9.169 447 HG13 VAL 57 HG13 VAL 57 3.898 12.483 9.924 448 HG21 VAL 57 HG21 VAL 57 3.887 10.411 6.767 449 HG22 VAL 57 HG22 VAL 57 4.325 8.904 7.604 450 HG23 VAL 57 HG23 VAL 57 2.767 9.661 7.931 451 H ILE 58 H ILE 58 6.416 13.470 8.300 452 HA ILE 58 HA ILE 58 7.334 14.019 11.100 453 HB ILE 58 HB ILE 58 7.543 15.578 8.501 454 HG12 ILE 58 HG12 ILE 58 9.741 14.454 10.285 455 HG13 ILE 58 HG13 ILE 58 9.148 13.653 8.836 456 HG21 ILE 58 HG21 ILE 58 8.439 16.444 11.287 457 HG22 ILE 58 HG22 ILE 58 8.767 17.307 9.762 458 HG23 ILE 58 HG23 ILE 58 7.121 17.166 10.337 459 HD11 ILE 58 HD11 ILE 58 9.843 15.674 7.497 460 HD12 ILE 58 HD12 ILE 58 10.644 16.280 8.969 461 HD13 ILE 58 HD13 ILE 58 11.141 14.748 8.247 462 H SER 59 H SER 59 5.891 15.010 12.446 463 HA SER 59 HA SER 59 3.358 16.129 11.263 464 HB2 SER 59 HB2 SER 59 3.049 13.963 12.442 465 HB3 SER 59 HB3 SER 59 3.709 14.710 13.908 466 HG SER 59 HG SER 59 1.371 14.757 13.779 467 H LEU 60 H LEU 60 2.905 18.173 11.727 468 HA LEU 60 HA LEU 60 4.526 19.603 13.779 469 HB2 LEU 60 HB2 LEU 60 2.813 20.851 11.623 470 HB3 LEU 60 HB3 LEU 60 4.020 21.621 12.642 471 HG LEU 60 HG LEU 60 4.524 19.649 10.373 472 HD11 LEU 60 HD11 LEU 60 5.281 22.577 10.751 473 HD12 LEU 60 HD12 LEU 60 5.683 21.566 9.346 474 HD13 LEU 60 HD13 LEU 60 3.998 21.972 9.693 475 HD21 LEU 60 HD21 LEU 60 6.216 19.185 12.077 476 HD22 LEU 60 HD22 LEU 60 6.945 20.086 10.765 477 HD23 LEU 60 HD23 LEU 60 6.529 20.925 12.277 478 H ILE 61 H ILE 61 3.612 20.938 15.296 479 HA ILE 61 HA ILE 61 0.678 20.870 15.788 480 HB ILE 61 HB ILE 61 1.078 20.492 18.198 481 HG12 ILE 61 HG12 ILE 61 3.267 19.208 18.750 482 HG13 ILE 61 HG13 ILE 61 3.978 20.041 17.375 483 HG21 ILE 61 HG21 ILE 61 0.383 18.695 16.663 484 HG22 ILE 61 HG22 ILE 61 2.088 18.222 16.452 485 HG23 ILE 61 HG23 ILE 61 1.309 18.091 18.039 486 HD11 ILE 61 HD11 ILE 61 4.436 21.102 19.581 487 HD12 ILE 61 HD12 ILE 61 3.619 22.209 18.482 488 HD13 ILE 61 HD13 ILE 61 2.702 21.414 19.778 489 H GLU 62 H GLU 62 -0.039 22.563 17.329 490 HA GLU 62 HA GLU 62 1.127 25.115 16.646 491 HB2 GLU 62 HB2 GLU 62 -0.985 24.369 18.699 492 HB3 GLU 62 HB3 GLU 62 -0.509 26.021 18.286 493 HG2 GLU 62 HG2 GLU 62 -1.122 25.574 15.894 494 HG3 GLU 62 HG3 GLU 62 -1.728 23.985 16.375 495 H GLU 63 H GLU 63 2.660 26.289 17.635 496 HA GLU 63 HA GLU 63 4.351 25.006 19.536 497 HB2 GLU 63 HB2 GLU 63 5.737 26.983 19.387 498 HB3 GLU 63 HB3 GLU 63 5.174 26.446 17.819 499 HG2 GLU 63 HG2 GLU 63 4.969 28.716 17.596 500 HG3 GLU 63 HG3 GLU 63 3.328 28.262 17.999 501 H GLN 64 H GLN 64 1.771 27.290 20.095 502 HA GLN 64 HA GLN 64 1.927 26.713 22.980 503 HB2 GLN 64 HB2 GLN 64 1.819 29.549 21.884 504 HB3 GLN 64 HB3 GLN 64 1.329 29.117 23.524 505 HG2 GLN 64 HG2 GLN 64 3.562 28.381 24.101 506 HG3 GLN 64 HG3 GLN 64 4.105 28.545 22.438 507 HE21 GLN 64 HE21 GLN 64 4.964 30.484 21.767 508 HE22 GLN 64 HE22 GLN 64 4.935 31.950 22.763 509 H ASN 65 H ASN 65 -0.044 26.539 23.938 510 HA ASN 65 HA ASN 65 -2.530 27.116 22.410 511 HB2 ASN 65 HB2 ASN 65 -3.234 24.718 22.667 512 HB3 ASN 65 HB3 ASN 65 -1.857 24.954 21.606 513 HD21 ASN 65 HD21 ASN 65 -0.425 23.284 21.836 514 HD22 ASN 65 HD22 ASN 65 -0.015 22.544 23.380 515 H ARG 66 H ARG 66 -1.167 27.817 25.142 516 HA ARG 66 HA ARG 66 -3.592 27.798 26.802 517 HB2 ARG 66 HB2 ARG 66 -2.563 26.734 28.717 518 HB3 ARG 66 HB3 ARG 66 -2.626 25.625 27.347 519 HG2 ARG 66 HG2 ARG 66 -0.207 26.080 26.873 520 HG3 ARG 66 HG3 ARG 66 -0.143 27.135 28.294 521 HD2 ARG 66 HD2 ARG 66 -0.867 24.178 28.340 522 HD3 ARG 66 HD3 ARG 66 0.742 24.832 28.679 523 HE ARG 66 HE ARG 66 -1.032 26.165 30.411 524 HH11 ARG 66 HH11 ARG 66 0.109 22.886 30.003 525 HH12 ARG 66 HH12 ARG 66 -0.098 22.517 31.698 526 HH21 ARG 66 HH21 ARG 66 -1.320 25.609 32.525 527 HH22 ARG 66 HH22 ARG 66 -0.905 24.015 33.080 528 H1 GLY -3 H1 GLY -3 14.422 -5.566 2.582 529 H2 GLY -3 H2 GLY -3 14.286 -6.238 1.096 530 H3 GLY -3 H3 GLY -3 12.958 -5.634 1.855 531 HA2 GLY -3 HA2 GLY -3 13.652 -4.120 0.134 532 HA3 GLY -3 HA3 GLY -3 13.811 -3.410 1.748 533 HA PRO -2 HA PRO -2 17.786 -2.840 -0.630 534 HB2 PRO -2 HB2 PRO -2 17.552 -0.175 0.767 535 HB3 PRO -2 HB3 PRO -2 18.135 -0.539 -0.880 536 HG2 PRO -2 HG2 PRO -2 15.633 0.453 -0.503 537 HG3 PRO -2 HG3 PRO -2 15.874 -0.900 -1.657 538 HD2 PRO -2 HD2 PRO -2 14.927 -1.038 1.213 539 HD3 PRO -2 HD3 PRO -2 14.245 -1.829 -0.242 540 H GLY -1 H GLY -1 19.902 -2.943 0.094 541 HA2 GLY -1 HA2 GLY -1 20.433 -3.500 2.918 542 HA3 GLY -1 HA3 GLY -1 21.599 -3.462 1.594 543 H SER 0 H SER 0 20.594 -0.654 0.857 544 HA SER 0 HA SER 0 22.446 0.894 2.488 545 HB2 SER 0 HB2 SER 0 21.709 2.748 0.994 546 HB3 SER 0 HB3 SER 0 22.303 1.329 0.123 547 HG SER 0 HG SER 0 19.553 1.824 0.663 548 H MET 1 H MET 1 22.022 2.517 3.869 549 HA MET 1 HA MET 1 21.081 3.831 5.397 550 HB2 MET 1 HB2 MET 1 18.628 3.868 3.621 551 HB3 MET 1 HB3 MET 1 19.060 5.050 4.858 552 HG2 MET 1 HG2 MET 1 21.226 5.453 3.555 553 HG3 MET 1 HG3 MET 1 20.526 4.477 2.272 554 HE1 MET 1 HE1 MET 1 19.169 8.721 3.506 555 HE2 MET 1 HE2 MET 1 19.227 7.390 4.677 556 HE3 MET 1 HE3 MET 1 20.722 7.978 3.922 557 H CYS 2 H CYS 2 19.295 4.298 6.962 558 HA CYS 2 HA CYS 2 17.746 2.009 7.932 559 HB2 CYS 2 HB2 CYS 2 19.007 1.870 10.068 560 HB3 CYS 2 HB3 CYS 2 20.006 1.426 8.680 561 HG CYS 2 HG CYS 2 21.468 2.740 10.404 562 H MET 3 H MET 3 16.800 2.576 10.171 563 HA MET 3 HA MET 3 15.344 5.019 10.073 564 HB2 MET 3 HB2 MET 3 15.724 3.101 12.398 565 HB3 MET 3 HB3 MET 3 14.518 4.378 12.271 566 HG2 MET 3 HG2 MET 3 13.313 2.509 11.685 567 HG3 MET 3 HG3 MET 3 13.666 3.289 10.153 568 HE1 MET 3 HE1 MET 3 14.282 0.287 12.542 569 HE2 MET 3 HE2 MET 3 15.491 -0.702 11.690 570 HE3 MET 3 HE3 MET 3 15.963 0.841 12.432 571 H ALA 4 H ALA 4 15.214 6.538 12.067 572 HA ALA 4 HA ALA 4 17.481 8.104 11.481 573 HB1 ALA 4 HB1 ALA 4 16.335 9.833 12.852 574 HB2 ALA 4 HB2 ALA 4 15.260 9.038 11.695 575 HB3 ALA 4 HB3 ALA 4 15.197 8.593 13.421 576 H LYS 5 H LYS 5 18.791 9.354 12.849 577 HA LYS 5 HA LYS 5 19.331 8.303 15.582 578 HB2 LYS 5 HB2 LYS 5 21.678 9.132 15.347 579 HB3 LYS 5 HB3 LYS 5 21.283 7.644 14.518 580 HG2 LYS 5 HG2 LYS 5 21.134 10.212 12.931 581 HG3 LYS 5 HG3 LYS 5 22.718 9.576 13.362 582 HD2 LYS 5 HD2 LYS 5 22.317 7.477 12.245 583 HD3 LYS 5 HD3 LYS 5 20.618 7.887 11.935 584 HE2 LYS 5 HE2 LYS 5 21.328 9.816 10.568 585 HE3 LYS 5 HE3 LYS 5 23.024 9.396 10.833 586 HZ1 LYS 5 HZ1 LYS 5 22.702 7.361 9.613 587 HZ2 LYS 5 HZ2 LYS 5 21.078 7.557 9.557 588 HZ3 LYS 5 HZ3 LYS 5 22.035 8.569 8.706 589 H VAL 6 H VAL 6 19.072 9.650 17.149 590 HA VAL 6 HA VAL 6 18.440 12.518 16.579 591 HB VAL 6 HB VAL 6 17.683 10.712 18.896 592 HG11 VAL 6 HG11 VAL 6 17.018 13.654 18.475 593 HG12 VAL 6 HG12 VAL 6 16.268 12.606 19.686 594 HG13 VAL 6 HG13 VAL 6 17.994 12.968 19.799 595 HG21 VAL 6 HG21 VAL 6 16.373 10.415 16.751 596 HG22 VAL 6 HG22 VAL 6 15.413 10.944 18.129 597 HG23 VAL 6 HG23 VAL 6 15.876 12.112 16.889 598 H VAL 7 H VAL 7 19.639 14.140 17.501 599 HA VAL 7 HA VAL 7 21.634 13.464 19.606 600 HB VAL 7 HB VAL 7 22.802 13.609 17.472 601 HG11 VAL 7 HG11 VAL 7 23.075 15.752 16.278 602 HG12 VAL 7 HG12 VAL 7 21.401 15.194 16.234 603 HG13 VAL 7 HG13 VAL 7 21.861 16.510 17.328 604 HG21 VAL 7 HG21 VAL 7 23.509 16.055 19.157 605 HG22 VAL 7 HG22 VAL 7 23.914 14.388 19.611 606 HG23 VAL 7 HG23 VAL 7 24.577 15.098 18.128 607 H LEU 8 H LEU 8 22.062 14.927 21.171 608 HA LEU 8 HA LEU 8 20.762 17.573 21.186 609 HB2 LEU 8 HB2 LEU 8 19.516 17.214 23.207 610 HB3 LEU 8 HB3 LEU 8 19.073 16.002 22.024 611 HG LEU 8 HG LEU 8 20.973 14.575 23.356 612 HD11 LEU 8 HD11 LEU 8 21.468 16.298 25.068 613 HD12 LEU 8 HD12 LEU 8 19.748 16.405 25.480 614 HD13 LEU 8 HD13 LEU 8 20.654 14.918 25.803 615 HD21 LEU 8 HD21 LEU 8 18.670 13.851 22.929 616 HD22 LEU 8 HD22 LEU 8 19.171 13.492 24.575 617 HD23 LEU 8 HD23 LEU 8 18.099 14.880 24.274 618 H THR 9 H THR 9 21.473 18.943 22.920 619 HA THR 9 HA THR 9 24.121 18.210 24.121 620 HB THR 9 HB THR 9 23.196 20.988 23.335 621 HG1 THR 9 HG1 THR 9 23.642 19.768 21.515 622 HG21 THR 9 HG21 THR 9 25.907 19.923 24.274 623 HG22 THR 9 HG22 THR 9 25.602 21.561 23.674 624 HG23 THR 9 HG23 THR 9 24.836 21.029 25.167 625 H LYS 10 H LYS 10 24.347 18.349 26.235 626 HA LYS 10 HA LYS 10 22.009 18.840 27.965 627 HB2 LYS 10 HB2 LYS 10 24.851 17.886 28.500 628 HB3 LYS 10 HB3 LYS 10 23.581 17.996 29.727 629 HG2 LYS 10 HG2 LYS 10 22.218 16.368 28.423 630 HG3 LYS 10 HG3 LYS 10 23.560 16.164 27.288 631 HD2 LYS 10 HD2 LYS 10 23.751 15.684 30.301 632 HD3 LYS 10 HD3 LYS 10 23.430 14.408 29.137 633 HE2 LYS 10 HE2 LYS 10 25.566 14.517 28.168 634 HE3 LYS 10 HE3 LYS 10 25.868 16.150 28.775 635 HZ1 LYS 10 HZ1 LYS 10 27.080 14.426 30.016 636 HZ2 LYS 10 HZ2 LYS 10 26.129 15.342 30.964 637 HZ3 LYS 10 HZ3 LYS 10 25.674 13.803 30.570 638 H ALA 11 H ALA 11 22.160 20.087 29.910 639 HA ALA 11 HA ALA 11 23.191 22.739 29.635 640 HB1 ALA 11 HB1 ALA 11 22.398 22.985 31.954 641 HB2 ALA 11 HB2 ALA 11 21.206 22.127 30.966 642 HB3 ALA 11 HB3 ALA 11 22.236 21.223 32.109 643 H ASP 12 H ASP 12 24.721 19.835 30.935 644 HA ASP 12 HA ASP 12 26.868 21.267 32.307 645 HB2 ASP 12 HB2 ASP 12 27.769 19.110 32.792 646 HB3 ASP 12 HB3 ASP 12 26.042 19.119 33.125 647 H GLY 13 H GLY 13 26.275 20.954 29.066 648 HA2 GLY 13 HA2 GLY 13 27.606 21.742 27.338 649 HA3 GLY 13 HA3 GLY 13 29.058 21.556 28.308 650 H GLY 14 H GLY 14 27.605 18.615 28.659 651 HA2 GLY 14 HA2 GLY 14 29.154 17.264 26.543 652 HA3 GLY 14 HA3 GLY 14 28.163 16.517 27.783 653 H ARG 15 H ARG 15 28.027 15.488 25.309 654 HA ARG 15 HA ARG 15 25.290 16.247 24.347 655 HB2 ARG 15 HB2 ARG 15 27.613 15.380 22.597 656 HB3 ARG 15 HB3 ARG 15 25.941 15.635 22.067 657 HG2 ARG 15 HG2 ARG 15 26.134 18.012 22.939 658 HG3 ARG 15 HG3 ARG 15 27.878 17.751 23.110 659 HD2 ARG 15 HD2 ARG 15 26.253 17.508 20.549 660 HD3 ARG 15 HD3 ARG 15 27.250 18.891 21.000 661 HE ARG 15 HE ARG 15 28.896 16.573 21.069 662 HH11 ARG 15 HH11 ARG 15 27.290 18.517 18.635 663 HH12 ARG 15 HH12 ARG 15 28.484 18.131 17.421 664 HH21 ARG 15 HH21 ARG 15 30.352 16.089 19.474 665 HH22 ARG 15 HH22 ARG 15 30.158 16.775 17.886 666 H VAL 16 H VAL 16 24.038 14.644 23.420 667 HA VAL 16 HA VAL 16 24.663 11.816 24.154 668 HB VAL 16 HB VAL 16 22.088 13.249 24.840 669 HG11 VAL 16 HG11 VAL 16 22.873 10.343 25.296 670 HG12 VAL 16 HG12 VAL 16 21.431 11.134 25.957 671 HG13 VAL 16 HG13 VAL 16 21.587 10.943 24.211 672 HG21 VAL 16 HG21 VAL 16 24.243 12.078 26.655 673 HG22 VAL 16 HG22 VAL 16 23.852 13.799 26.462 674 HG23 VAL 16 HG23 VAL 16 22.661 12.710 27.201 675 H GLU 17 H GLU 17 23.873 10.302 22.766 676 HA GLU 17 HA GLU 17 22.186 11.162 20.469 677 HB2 GLU 17 HB2 GLU 17 24.730 9.516 20.317 678 HB3 GLU 17 HB3 GLU 17 23.565 9.698 19.004 679 HG2 GLU 17 HG2 GLU 17 23.970 12.100 18.913 680 HG3 GLU 17 HG3 GLU 17 25.083 12.014 20.278 681 H ILE 18 H ILE 18 20.798 9.647 19.641 682 HA ILE 18 HA ILE 18 20.741 6.911 20.828 683 HB ILE 18 HB ILE 18 18.260 8.652 20.439 684 HG12 ILE 18 HG12 ILE 18 18.167 7.957 23.062 685 HG13 ILE 18 HG13 ILE 18 19.910 7.989 22.883 686 HG21 ILE 18 HG21 ILE 18 18.570 5.810 21.508 687 HG22 ILE 18 HG22 ILE 18 17.061 6.750 21.438 688 HG23 ILE 18 HG23 ILE 18 17.849 6.267 19.948 689 HD11 ILE 18 HD11 ILE 18 19.080 10.133 23.693 690 HD12 ILE 18 HD12 ILE 18 19.667 10.401 22.037 691 HD13 ILE 18 HD13 ILE 18 17.927 10.258 22.353 692 H GLY 19 H GLY 19 20.875 5.458 19.276 693 HA2 GLY 19 HA2 GLY 19 20.362 6.177 16.432 694 HA3 GLY 19 HA3 GLY 19 21.322 4.820 17.007 695 H ASP 20 H ASP 20 19.540 4.459 15.016 696 HA ASP 20 HA ASP 20 17.774 3.282 14.237 697 HB2 ASP 20 HB2 ASP 20 18.052 1.487 16.651 698 HB3 ASP 20 HB3 ASP 20 17.476 1.091 15.035 699 H VAL 21 H VAL 21 16.920 5.536 15.497 700 HA VAL 21 HA VAL 21 14.743 5.119 17.359 701 HB VAL 21 HB VAL 21 15.614 7.476 15.654 702 HG11 VAL 21 HG11 VAL 21 13.376 7.365 17.710 703 HG12 VAL 21 HG12 VAL 21 14.090 8.855 17.041 704 HG13 VAL 21 HG13 VAL 21 13.222 7.765 15.976 705 HG21 VAL 21 HG21 VAL 21 17.103 6.840 17.525 706 HG22 VAL 21 HG22 VAL 21 16.287 8.362 17.881 707 HG23 VAL 21 HG23 VAL 21 15.735 6.862 18.651 708 H LEU 22 H LEU 22 12.874 4.234 16.942 709 HA LEU 22 HA LEU 22 11.695 4.072 14.232 710 HB2 LEU 22 HB2 LEU 22 10.659 3.239 16.982 711 HB3 LEU 22 HB3 LEU 22 9.844 2.934 15.456 712 HG LEU 22 HG LEU 22 12.518 1.769 16.339 713 HD11 LEU 22 HD11 LEU 22 11.247 -0.360 16.312 714 HD12 LEU 22 HD12 LEU 22 10.537 0.807 17.439 715 HD13 LEU 22 HD13 LEU 22 9.774 0.519 15.848 716 HD21 LEU 22 HD21 LEU 22 12.355 0.346 14.293 717 HD22 LEU 22 HD22 LEU 22 10.985 1.348 13.737 718 HD23 LEU 22 HD23 LEU 22 12.617 2.045 13.926 719 H GLU 23 H GLU 23 11.252 5.939 17.228 720 HA GLU 23 HA GLU 23 9.757 7.968 15.750 721 HB2 GLU 23 HB2 GLU 23 8.011 6.320 16.430 722 HB3 GLU 23 HB3 GLU 23 8.475 6.557 18.122 723 HG2 GLU 23 HG2 GLU 23 7.842 8.966 17.924 724 HG3 GLU 23 HG3 GLU 23 7.392 8.696 16.238 725 H VAL 24 H VAL 24 9.909 9.974 16.613 726 HA VAL 24 HA VAL 24 10.883 10.354 19.392 727 HB VAL 24 HB VAL 24 12.759 10.799 17.949 728 HG11 VAL 24 HG11 VAL 24 11.040 12.850 16.534 729 HG12 VAL 24 HG12 VAL 24 12.793 12.657 16.361 730 HG13 VAL 24 HG13 VAL 24 11.727 11.344 15.855 731 HG21 VAL 24 HG21 VAL 24 11.650 13.441 18.977 732 HG22 VAL 24 HG22 VAL 24 12.442 12.219 19.981 733 HG23 VAL 24 HG23 VAL 24 13.350 13.031 18.695 734 H ARG 25 H ARG 25 9.808 11.905 20.531 735 HA ARG 25 HA ARG 25 7.415 13.242 19.273 736 HB2 ARG 25 HB2 ARG 25 7.479 11.551 21.815 737 HB3 ARG 25 HB3 ARG 25 6.080 12.433 21.186 738 HG2 ARG 25 HG2 ARG 25 5.987 10.996 19.208 739 HG3 ARG 25 HG3 ARG 25 7.460 10.153 19.695 740 HD2 ARG 25 HD2 ARG 25 4.894 10.124 21.283 741 HD3 ARG 25 HD3 ARG 25 5.388 8.860 20.170 742 HE ARG 25 HE ARG 25 6.572 9.484 22.805 743 HH11 ARG 25 HH11 ARG 25 6.727 7.216 20.047 744 HH12 ARG 25 HH12 ARG 25 7.999 6.327 20.871 745 HH21 ARG 25 HH21 ARG 25 8.089 8.125 23.691 746 HH22 ARG 25 HH22 ARG 25 8.697 6.796 22.729 747 H ALA 26 H ALA 26 6.820 15.171 20.160 748 HA ALA 26 HA ALA 26 8.418 16.256 22.438 749 HB1 ALA 26 HB1 ALA 26 9.343 17.023 20.281 750 HB2 ALA 26 HB2 ALA 26 7.760 17.669 19.826 751 HB3 ALA 26 HB3 ALA 26 8.626 18.356 21.211 752 H GLU 27 H GLU 27 7.178 17.032 24.012 753 HA GLU 27 HA GLU 27 4.588 18.316 23.574 754 HB2 GLU 27 HB2 GLU 27 3.994 15.926 23.254 755 HB3 GLU 27 HB3 GLU 27 4.742 15.515 24.783 756 HG2 GLU 27 HG2 GLU 27 2.341 15.508 24.968 757 HG3 GLU 27 HG3 GLU 27 3.008 16.764 26.003 758 H GLY 28 H GLY 28 3.817 19.393 25.395 759 HA2 GLY 28 HA2 GLY 28 3.923 20.490 27.412 760 HA3 GLY 28 HA3 GLY 28 4.491 18.951 28.074 761 H GLY 29 H GLY 29 6.483 20.653 25.711 762 HA2 GLY 29 HA2 GLY 29 8.481 21.820 25.904 763 HA3 GLY 29 HA3 GLY 29 8.224 22.006 27.633 764 H ALA 30 H ALA 30 8.171 18.781 26.182 765 HA ALA 30 HA ALA 30 11.006 18.251 26.836 766 HB1 ALA 30 HB1 ALA 30 9.740 17.765 28.915 767 HB2 ALA 30 HB2 ALA 30 8.668 16.683 28.006 768 HB3 ALA 30 HB3 ALA 30 10.387 16.270 28.191 769 H VAL 31 H VAL 31 11.820 16.277 25.926 770 HA VAL 31 HA VAL 31 10.219 15.213 23.622 771 HB VAL 31 HB VAL 31 13.189 15.767 23.783 772 HG11 VAL 31 HG11 VAL 31 11.680 14.202 21.637 773 HG12 VAL 31 HG12 VAL 31 13.281 14.898 21.427 774 HG13 VAL 31 HG13 VAL 31 13.049 13.627 22.629 775 HG21 VAL 31 HG21 VAL 31 11.595 17.619 23.136 776 HG22 VAL 31 HG22 VAL 31 12.720 17.188 21.845 777 HG23 VAL 31 HG23 VAL 31 11.036 16.632 21.800 778 H ARG 32 H ARG 32 10.233 13.080 23.142 779 HA ARG 32 HA ARG 32 11.752 11.192 24.866 780 HB2 ARG 32 HB2 ARG 32 8.860 10.682 24.068 781 HB3 ARG 32 HB3 ARG 32 9.925 9.630 24.993 782 HG2 ARG 32 HG2 ARG 32 8.690 10.491 26.698 783 HG3 ARG 32 HG3 ARG 32 10.029 11.656 26.699 784 HD2 ARG 32 HD2 ARG 32 8.630 13.185 25.303 785 HD3 ARG 32 HD3 ARG 32 7.316 12.006 25.330 786 HE ARG 32 HE ARG 32 7.708 12.356 27.980 787 HH11 ARG 32 HH11 ARG 32 7.437 14.755 25.470 788 HH12 ARG 32 HH12 ARG 32 6.748 15.954 26.530 789 HH21 ARG 32 HH21 ARG 32 6.762 13.911 29.312 790 HH22 ARG 32 HH22 ARG 32 6.323 15.449 28.630 791 H VAL 33 H VAL 33 12.268 9.203 23.904 792 HA VAL 33 HA VAL 33 11.865 8.939 20.958 793 HB VAL 33 HB VAL 33 14.174 8.023 20.767 794 HG11 VAL 33 HG11 VAL 33 15.337 10.171 20.677 795 HG12 VAL 33 HG12 VAL 33 13.703 10.277 20.012 796 HG13 VAL 33 HG13 VAL 33 14.052 10.937 21.632 797 HG21 VAL 33 HG21 VAL 33 14.645 9.272 23.507 798 HG22 VAL 33 HG22 VAL 33 14.652 7.535 23.143 799 HG23 VAL 33 HG23 VAL 33 15.872 8.595 22.435 800 H THR 34 H THR 34 11.842 6.865 20.128 801 HA THR 34 HA THR 34 11.955 4.561 22.028 802 HB THR 34 HB THR 34 9.878 4.928 19.844 803 HG1 THR 34 HG1 THR 34 9.483 4.686 22.632 804 HG21 THR 34 HG21 THR 34 10.414 2.563 20.079 805 HG22 THR 34 HG22 THR 34 10.339 2.669 21.859 806 HG23 THR 34 HG23 THR 34 8.868 2.869 20.871 807 H THR 35 H THR 35 13.344 3.037 21.393 808 HA THR 35 HA THR 35 14.571 3.257 18.708 809 HB THR 35 HB THR 35 16.371 1.975 19.515 810 HG1 THR 35 HG1 THR 35 16.302 1.081 21.625 811 HG21 THR 35 HG21 THR 35 17.204 3.247 21.373 812 HG22 THR 35 HG22 THR 35 16.260 4.334 20.335 813 HG23 THR 35 HG23 THR 35 15.574 3.739 21.864 814 H LEU 36 H LEU 36 15.280 1.313 17.604 815 HA LEU 36 HA LEU 36 13.472 -0.592 16.737 816 HB2 LEU 36 HB2 LEU 36 15.630 0.007 15.749 817 HB3 LEU 36 HB3 LEU 36 16.486 -0.692 17.127 818 HG LEU 36 HG LEU 36 15.653 -2.966 16.449 819 HD11 LEU 36 HD11 LEU 36 14.722 -3.172 14.136 820 HD12 LEU 36 HD12 LEU 36 13.619 -2.311 15.212 821 HD13 LEU 36 HD13 LEU 36 14.609 -1.394 14.055 822 HD21 LEU 36 HD21 LEU 36 17.860 -2.119 15.729 823 HD22 LEU 36 HD22 LEU 36 17.119 -3.172 14.514 824 HD23 LEU 36 HD23 LEU 36 17.113 -1.419 14.268 825 H PHE 37 H PHE 37 15.330 -0.702 19.725 826 HA PHE 37 HA PHE 37 14.704 -3.542 20.236 827 HB2 PHE 37 HB2 PHE 37 16.360 -1.586 21.861 828 HB3 PHE 37 HB3 PHE 37 16.303 -3.332 22.042 829 HD1 PHE 37 HD1 PHE 37 17.162 -4.826 20.159 830 HD2 PHE 37 HD2 PHE 37 17.796 -0.559 20.198 831 HE1 PHE 37 HE1 PHE 37 18.959 -5.072 18.450 832 HE2 PHE 37 HE2 PHE 37 19.573 -0.811 18.479 833 HZ PHE 37 HZ PHE 37 20.153 -3.068 17.596 834 H ASP 38 H ASP 38 12.818 -1.010 20.460 835 HA ASP 38 HA ASP 38 11.163 -0.205 21.685 836 HB2 ASP 38 HB2 ASP 38 11.071 -2.817 23.208 837 HB3 ASP 38 HB3 ASP 38 9.793 -1.615 23.072 838 H GLU 39 H GLU 39 13.998 0.099 22.708 839 HA GLU 39 HA GLU 39 13.623 0.627 25.578 840 HB2 GLU 39 HB2 GLU 39 15.804 -0.122 24.666 841 HB3 GLU 39 HB3 GLU 39 15.918 1.371 23.720 842 HG2 GLU 39 HG2 GLU 39 15.999 2.728 25.733 843 HG3 GLU 39 HG3 GLU 39 15.711 1.312 26.748 844 H GLU 40 H GLU 40 13.381 2.646 26.522 845 HA GLU 40 HA GLU 40 12.714 4.932 24.722 846 HB2 GLU 40 HB2 GLU 40 11.334 4.077 27.276 847 HB3 GLU 40 HB3 GLU 40 11.070 5.622 26.474 848 HG2 GLU 40 HG2 GLU 40 10.227 4.519 24.473 849 HG3 GLU 40 HG3 GLU 40 10.599 2.928 25.129 850 H HIS 41 H HIS 41 13.297 6.948 25.288 851 HA HIS 41 HA HIS 41 14.610 7.493 27.884 852 HB2 HIS 41 HB2 HIS 41 15.866 8.264 25.220 853 HB3 HIS 41 HB3 HIS 41 16.391 8.804 26.803 854 HD2 HIS 41 HD2 HIS 41 16.507 5.751 24.480 855 HE1 HIS 41 HE1 HIS 41 19.020 4.839 27.804 856 HE2 HIS 41 HE2 HIS 41 18.235 4.032 25.522 857 H ALA 42 H ALA 42 14.568 9.730 28.461 858 HA ALA 42 HA ALA 42 12.795 11.503 26.893 859 HB1 ALA 42 HB1 ALA 42 11.317 10.227 28.384 860 HB2 ALA 42 HB2 ALA 42 12.290 10.715 29.787 861 HB3 ALA 42 HB3 ALA 42 11.388 11.937 28.869 862 H PHE 43 H PHE 43 13.043 13.655 27.193 863 HA PHE 43 HA PHE 43 15.343 14.638 28.829 864 HB2 PHE 43 HB2 PHE 43 14.967 15.053 25.847 865 HB3 PHE 43 HB3 PHE 43 16.263 15.697 26.855 866 HD1 PHE 43 HD1 PHE 43 15.115 12.862 24.897 867 HD2 PHE 43 HD2 PHE 43 17.884 14.063 27.986 868 HE1 PHE 43 HE1 PHE 43 16.410 10.771 24.564 869 HE2 PHE 43 HE2 PHE 43 19.171 11.970 27.636 870 HZ PHE 43 HZ PHE 43 18.432 10.319 25.932 871 HA PRO 44 HA PRO 44 11.983 17.687 29.313 872 HB2 PRO 44 HB2 PRO 44 13.666 18.332 31.711 873 HB3 PRO 44 HB3 PRO 44 11.878 18.214 31.587 874 HG2 PRO 44 HG2 PRO 44 13.298 16.203 32.707 875 HG3 PRO 44 HG3 PRO 44 11.975 15.817 31.556 876 HD2 PRO 44 HD2 PRO 44 14.957 15.959 31.006 877 HD3 PRO 44 HD3 PRO 44 13.788 14.690 30.547 878 H GLY 45 H GLY 45 11.902 19.898 28.920 879 HA2 GLY 45 HA2 GLY 45 12.612 22.069 28.571 880 HA3 GLY 45 HA3 GLY 45 14.273 21.625 28.956 881 H LEU 46 H LEU 46 13.028 19.511 26.598 882 HA LEU 46 HA LEU 46 14.328 21.042 24.397 883 HB2 LEU 46 HB2 LEU 46 14.025 18.041 24.713 884 HB3 LEU 46 HB3 LEU 46 14.789 18.857 23.365 885 HG LEU 46 HG LEU 46 15.818 18.704 26.218 886 HD11 LEU 46 HD11 LEU 46 17.031 17.827 23.566 887 HD12 LEU 46 HD12 LEU 46 17.647 17.503 25.194 888 HD13 LEU 46 HD13 LEU 46 16.139 16.747 24.647 889 HD21 LEU 46 HD21 LEU 46 17.831 19.931 25.347 890 HD22 LEU 46 HD22 LEU 46 16.933 20.279 23.846 891 HD23 LEU 46 HD23 LEU 46 16.390 20.948 25.406 892 H ALA 47 H ALA 47 13.626 20.694 22.274 893 HA ALA 47 HA ALA 47 11.022 19.448 21.701 894 HB1 ALA 47 HB1 ALA 47 11.706 22.311 20.911 895 HB2 ALA 47 HB2 ALA 47 10.277 21.393 20.381 896 HB3 ALA 47 HB3 ALA 47 10.467 21.822 22.095 897 H ILE 48 H ILE 48 10.851 18.926 19.358 898 HA ILE 48 HA ILE 48 13.412 18.137 18.204 899 HB ILE 48 HB ILE 48 10.622 18.087 17.030 900 HG12 ILE 48 HG12 ILE 48 12.173 15.644 17.931 901 HG13 ILE 48 HG13 ILE 48 11.240 16.561 19.093 902 HG21 ILE 48 HG21 ILE 48 11.641 16.444 15.382 903 HG22 ILE 48 HG22 ILE 48 12.253 18.082 15.203 904 HG23 ILE 48 HG23 ILE 48 13.237 16.857 16.036 905 HD11 ILE 48 HD11 ILE 48 10.107 15.245 16.593 906 HD12 ILE 48 HD12 ILE 48 9.866 14.746 18.273 907 HD13 ILE 48 HD13 ILE 48 9.187 16.277 17.716 908 H GLY 49 H GLY 49 14.725 19.322 16.963 909 HA2 GLY 49 HA2 GLY 49 13.891 22.106 16.322 910 HA3 GLY 49 HA3 GLY 49 15.524 21.507 16.616 911 H ARG 50 H ARG 50 15.766 19.420 14.800 912 HA ARG 50 HA ARG 50 15.103 20.494 12.114 913 HB2 ARG 50 HB2 ARG 50 17.114 21.710 12.917 914 HB3 ARG 50 HB3 ARG 50 17.973 20.193 13.114 915 HG2 ARG 50 HG2 ARG 50 16.800 20.812 10.402 916 HG3 ARG 50 HG3 ARG 50 18.161 21.790 10.964 917 HD2 ARG 50 HD2 ARG 50 19.472 19.709 11.345 918 HD3 ARG 50 HD3 ARG 50 18.158 18.762 10.617 919 HE ARG 50 HE ARG 50 18.704 20.736 8.724 920 HH11 ARG 50 HH11 ARG 50 20.726 18.227 10.165 921 HH12 ARG 50 HH12 ARG 50 21.746 18.180 8.741 922 HH21 ARG 50 HH21 ARG 50 19.946 20.614 7.094 923 HH22 ARG 50 HH22 ARG 50 21.204 19.389 6.952 924 H VAL 51 H VAL 51 15.120 19.044 10.503 925 HA VAL 51 HA VAL 51 15.892 16.214 11.061 926 HB VAL 51 HB VAL 51 13.266 17.127 9.823 927 HG11 VAL 51 HG11 VAL 51 12.674 14.675 10.073 928 HG12 VAL 51 HG12 VAL 51 13.922 15.008 8.871 929 HG13 VAL 51 HG13 VAL 51 14.367 14.366 10.458 930 HG21 VAL 51 HG21 VAL 51 12.145 16.229 11.785 931 HG22 VAL 51 HG22 VAL 51 13.710 15.866 12.549 932 HG23 VAL 51 HG23 VAL 51 13.208 17.543 12.245 933 H ASP 52 H ASP 52 17.029 15.338 9.410 934 HA ASP 52 HA ASP 52 16.776 16.539 6.667 935 HB2 ASP 52 HB2 ASP 52 18.746 17.386 7.888 936 HB3 ASP 52 HB3 ASP 52 19.371 15.740 8.026 937 H LEU 53 H LEU 53 15.942 15.128 5.390 938 HA LEU 53 HA LEU 53 15.940 12.266 5.978 939 HB2 LEU 53 HB2 LEU 53 14.667 13.892 3.727 940 HB3 LEU 53 HB3 LEU 53 14.396 12.196 4.035 941 HG LEU 53 HG LEU 53 12.516 13.300 4.827 942 HD11 LEU 53 HD11 LEU 53 14.153 12.799 7.341 943 HD12 LEU 53 HD12 LEU 53 12.392 12.761 7.185 944 HD13 LEU 53 HD13 LEU 53 13.361 11.541 6.350 945 HD21 LEU 53 HD21 LEU 53 13.365 15.592 4.998 946 HD22 LEU 53 HD22 LEU 53 12.375 15.121 6.376 947 HD23 LEU 53 HD23 LEU 53 14.119 15.205 6.564 948 H ARG 54 H ARG 54 17.982 14.287 4.137 949 HA ARG 54 HA ARG 54 18.801 12.345 2.087 950 HB2 ARG 54 HB2 ARG 54 20.214 14.826 3.140 951 HB3 ARG 54 HB3 ARG 54 20.623 13.961 1.673 952 HG2 ARG 54 HG2 ARG 54 18.647 14.628 0.538 953 HG3 ARG 54 HG3 ARG 54 17.846 15.184 2.010 954 HD2 ARG 54 HD2 ARG 54 20.320 16.484 0.802 955 HD3 ARG 54 HD3 ARG 54 18.645 17.035 0.580 956 HE ARG 54 HE ARG 54 19.487 16.739 3.387 957 HH11 ARG 54 HH11 ARG 54 18.879 19.093 0.831 958 HH12 ARG 54 HH12 ARG 54 18.865 20.396 1.993 959 HH21 ARG 54 HH21 ARG 54 19.747 18.435 4.651 960 HH22 ARG 54 HH22 ARG 54 19.165 20.018 4.127 961 H SER 55 H SER 55 19.642 12.998 5.394 962 HA SER 55 HA SER 55 21.828 10.946 5.325 963 HB2 SER 55 HB2 SER 55 21.523 13.354 7.151 964 HB3 SER 55 HB3 SER 55 22.852 12.187 7.181 965 HG SER 55 HG SER 55 23.480 12.864 5.131 966 H GLY 56 H GLY 56 18.726 11.615 6.725 967 HA2 GLY 56 HA2 GLY 56 17.465 10.332 8.180 968 HA3 GLY 56 HA3 GLY 56 18.770 9.156 8.314 969 H VAL 57 H VAL 57 19.091 12.631 9.027 970 HA VAL 57 HA VAL 57 19.785 11.973 11.873 971 HB VAL 57 HB VAL 57 20.728 14.268 10.110 972 HG11 VAL 57 HG11 VAL 57 20.561 15.097 12.396 973 HG12 VAL 57 HG12 VAL 57 21.332 13.629 13.036 974 HG13 VAL 57 HG13 VAL 57 22.254 14.772 12.029 975 HG21 VAL 57 HG21 VAL 57 21.825 12.080 9.624 976 HG22 VAL 57 HG22 VAL 57 22.941 13.218 10.388 977 HG23 VAL 57 HG23 VAL 57 22.232 11.911 11.347 978 H ILE 58 H ILE 58 18.843 12.939 13.511 979 HA ILE 58 HA ILE 58 16.947 15.196 13.085 980 HB ILE 58 HB ILE 58 16.611 12.768 14.874 981 HG12 ILE 58 HG12 ILE 58 14.922 13.849 12.584 982 HG13 ILE 58 HG13 ILE 58 15.944 12.411 12.532 983 HG21 ILE 58 HG21 ILE 58 15.948 14.747 16.165 984 HG22 ILE 58 HG22 ILE 58 14.976 15.342 14.790 985 HG23 ILE 58 HG23 ILE 58 14.518 13.883 15.672 986 HD11 ILE 58 HD11 ILE 58 13.720 11.658 12.736 987 HD12 ILE 58 HD12 ILE 58 14.469 11.398 14.326 988 HD13 ILE 58 HD13 ILE 58 13.365 12.775 14.068 989 H SER 59 H SER 59 17.205 16.874 14.434 990 HA SER 59 HA SER 59 19.167 16.656 16.715 991 HB2 SER 59 HB2 SER 59 20.184 17.757 14.743 992 HB3 SER 59 HB3 SER 59 18.881 18.958 14.768 993 HG SER 59 HG SER 59 20.767 19.679 15.882 994 H LEU 60 H LEU 60 18.540 17.458 18.606 995 HA LEU 60 HA LEU 60 15.877 18.771 18.842 996 HB2 LEU 60 HB2 LEU 60 17.643 17.715 21.064 997 HB3 LEU 60 HB3 LEU 60 15.949 18.195 21.161 998 HG LEU 60 HG LEU 60 17.076 15.735 19.773 999 HD11 LEU 60 HD11 LEU 60 15.189 16.080 22.140 1000 HD12 LEU 60 HD12 LEU 60 15.755 14.530 21.459 1001 HD13 LEU 60 HD13 LEU 60 16.889 15.629 22.248 1002 HD21 LEU 60 HD21 LEU 60 15.192 16.517 18.436 1003 HD22 LEU 60 HD22 LEU 60 14.706 15.100 19.362 1004 HD23 LEU 60 HD23 LEU 60 14.187 16.717 19.900 1005 H ILE 61 H ILE 61 15.551 20.592 20.121 1006 HA ILE 61 HA ILE 61 17.886 22.339 20.749 1007 HB ILE 61 HB ILE 61 16.648 24.302 19.913 1008 HG12 ILE 61 HG12 ILE 61 15.014 23.761 17.944 1009 HG13 ILE 61 HG13 ILE 61 14.682 22.262 18.796 1010 HG21 ILE 61 HG21 ILE 61 17.297 24.017 17.596 1011 HG22 ILE 61 HG22 ILE 61 18.480 23.258 18.666 1012 HG23 ILE 61 HG23 ILE 61 17.330 22.241 17.785 1013 HD11 ILE 61 HD11 ILE 61 13.872 23.570 20.749 1014 HD12 ILE 61 HD12 ILE 61 14.318 25.072 19.925 1015 HD13 ILE 61 HD13 ILE 61 13.029 24.041 19.266 1016 H GLU 62 H GLU 62 17.403 24.023 22.326 1017 HA GLU 62 HA GLU 62 15.702 23.083 24.484 1018 HB2 GLU 62 HB2 GLU 62 17.181 25.709 24.100 1019 HB3 GLU 62 HB3 GLU 62 16.297 25.227 25.568 1020 HG2 GLU 62 HG2 GLU 62 17.756 23.217 25.793 1021 HG3 GLU 62 HG3 GLU 62 18.695 23.754 24.390 1022 H GLU 63 H GLU 63 13.631 23.602 24.992 1023 HA GLU 63 HA GLU 63 11.982 24.654 22.902 1024 HB2 GLU 63 HB2 GLU 63 10.133 24.097 24.309 1025 HB3 GLU 63 HB3 GLU 63 11.358 22.849 24.399 1026 HG2 GLU 63 HG2 GLU 63 10.701 22.989 26.578 1027 HG3 GLU 63 HG3 GLU 63 12.163 23.961 26.579 1028 H GLN 64 H GLN 64 13.585 26.316 25.397 1029 HA GLN 64 HA GLN 64 12.628 28.815 24.154 1030 HB2 GLN 64 HB2 GLN 64 13.071 28.460 27.142 1031 HB3 GLN 64 HB3 GLN 64 13.047 30.029 26.336 1032 HG2 GLN 64 HG2 GLN 64 10.695 28.070 26.354 1033 HG3 GLN 64 HG3 GLN 64 10.904 29.421 27.463 1034 HE21 GLN 64 HE21 GLN 64 10.096 28.555 24.141 1035 HE22 GLN 64 HE22 GLN 64 9.549 30.172 23.679 1036 H ASN 65 H ASN 65 14.279 29.867 23.299 1037 HA ASN 65 HA ASN 65 17.074 29.367 24.191 1038 HB2 ASN 65 HB2 ASN 65 17.683 28.786 21.821 1039 HB3 ASN 65 HB3 ASN 65 16.650 27.607 22.612 1040 HD21 ASN 65 HD21 ASN 65 14.791 26.987 21.561 1041 HD22 ASN 65 HD22 ASN 65 14.134 27.843 20.169 1042 H ARG 66 H ARG 66 15.188 31.707 24.156 1043 HA ARG 66 HA ARG 66 16.142 33.687 22.259 1044 HB2 ARG 66 HB2 ARG 66 14.525 33.868 24.836 1045 HB3 ARG 66 HB3 ARG 66 14.873 35.250 23.785 1046 HG2 ARG 66 HG2 ARG 66 13.699 34.186 21.911 1047 HG3 ARG 66 HG3 ARG 66 13.364 32.746 22.892 1048 HD2 ARG 66 HD2 ARG 66 12.370 35.548 23.563 1049 HD3 ARG 66 HD3 ARG 66 11.449 34.337 22.674 1050 HE ARG 66 HE ARG 66 11.334 32.935 24.625 1051 HH11 ARG 66 HH11 ARG 66 10.899 32.751 26.683 1052 HH12 ARG 66 HH12 ARG 66 11.324 34.013 27.834 1053 HH21 ARG 66 HH21 ARG 66 12.646 36.098 25.447 1054 HH22 ARG 66 HH22 ARG 66 12.245 35.869 27.134 Start of MODEL 4 1 H1 GLY -3 H1 GLY -3 11.900 9.172 -7.895 2 H2 GLY -3 H2 GLY -3 12.086 9.071 -9.511 3 H3 GLY -3 H3 GLY -3 12.689 10.361 -8.699 4 HA2 GLY -3 HA2 GLY -3 14.486 8.890 -9.282 5 HA3 GLY -3 HA3 GLY -3 14.270 8.974 -7.531 6 HA PRO -2 HA PRO -2 14.427 4.510 -8.905 7 HB2 PRO -2 HB2 PRO -2 16.082 4.413 -6.388 8 HB3 PRO -2 HB3 PRO -2 16.325 3.543 -7.936 9 HG2 PRO -2 HG2 PRO -2 17.831 5.710 -7.354 10 HG3 PRO -2 HG3 PRO -2 17.151 5.522 -9.002 11 HD2 PRO -2 HD2 PRO -2 16.078 7.185 -6.706 12 HD3 PRO -2 HD3 PRO -2 16.310 7.658 -8.415 13 H GLY -1 H GLY -1 13.180 2.800 -8.116 14 HA2 GLY -1 HA2 GLY -1 11.079 3.369 -6.282 15 HA3 GLY -1 HA3 GLY -1 11.460 1.794 -6.989 16 H SER 0 H SER 0 14.222 1.981 -5.660 17 HA SER 0 HA SER 0 13.578 0.741 -3.109 18 HB2 SER 0 HB2 SER 0 15.456 0.024 -4.551 19 HB3 SER 0 HB3 SER 0 16.247 1.590 -4.302 20 HG SER 0 HG SER 0 17.025 -0.110 -2.915 21 H MET 1 H MET 1 14.397 3.974 -4.102 22 HA MET 1 HA MET 1 15.211 4.903 -1.421 23 HB2 MET 1 HB2 MET 1 14.897 6.385 -4.065 24 HB3 MET 1 HB3 MET 1 15.455 7.093 -2.559 25 HG2 MET 1 HG2 MET 1 17.353 5.495 -2.493 26 HG3 MET 1 HG3 MET 1 16.802 4.785 -4.007 27 HE1 MET 1 HE1 MET 1 18.734 8.980 -3.536 28 HE2 MET 1 HE2 MET 1 17.118 8.648 -2.885 29 HE3 MET 1 HE3 MET 1 18.535 7.803 -2.226 30 H CYS 2 H CYS 2 14.183 6.591 -0.285 31 HA CYS 2 HA CYS 2 11.580 7.596 -1.087 32 HB2 CYS 2 HB2 CYS 2 10.372 6.818 0.921 33 HB3 CYS 2 HB3 CYS 2 10.872 5.481 -0.111 34 HG CYS 2 HG CYS 2 12.329 6.604 2.646 35 H MET 3 H MET 3 10.829 9.318 0.158 36 HA MET 3 HA MET 3 12.676 10.576 2.153 37 HB2 MET 3 HB2 MET 3 11.280 11.779 -0.259 38 HB3 MET 3 HB3 MET 3 11.471 12.736 1.199 39 HG2 MET 3 HG2 MET 3 13.319 13.275 -0.128 40 HG3 MET 3 HG3 MET 3 13.916 12.292 1.196 41 HE1 MET 3 HE1 MET 3 13.721 11.144 -3.285 42 HE2 MET 3 HE2 MET 3 12.247 11.441 -2.340 43 HE3 MET 3 HE3 MET 3 13.416 12.753 -2.592 44 H ALA 4 H ALA 4 11.469 12.127 3.592 45 HA ALA 4 HA ALA 4 9.117 10.785 4.704 46 HB1 ALA 4 HB1 ALA 4 10.549 13.350 5.526 47 HB2 ALA 4 HB2 ALA 4 9.385 12.418 6.499 48 HB3 ALA 4 HB3 ALA 4 10.950 11.706 6.105 49 H LYS 5 H LYS 5 7.251 12.241 5.439 50 HA LYS 5 HA LYS 5 6.778 14.592 3.688 51 HB2 LYS 5 HB2 LYS 5 4.476 14.185 3.376 52 HB3 LYS 5 HB3 LYS 5 5.351 12.769 2.789 53 HG2 LYS 5 HG2 LYS 5 4.684 11.491 4.781 54 HG3 LYS 5 HG3 LYS 5 3.953 12.937 5.513 55 HD2 LYS 5 HD2 LYS 5 2.387 13.111 3.596 56 HD3 LYS 5 HD3 LYS 5 3.031 11.590 2.942 57 HE2 LYS 5 HE2 LYS 5 2.273 10.369 4.914 58 HE3 LYS 5 HE3 LYS 5 1.809 11.876 5.718 59 HZ1 LYS 5 HZ1 LYS 5 0.165 12.247 3.982 60 HZ2 LYS 5 HZ2 LYS 5 0.546 10.842 3.245 61 HZ3 LYS 5 HZ3 LYS 5 -0.128 10.814 4.734 62 H VAL 6 H VAL 6 5.658 16.278 4.614 63 HA VAL 6 HA VAL 6 5.478 16.275 7.606 64 HB VAL 6 HB VAL 6 6.011 18.518 5.654 65 HG11 VAL 6 HG11 VAL 6 6.074 20.036 7.622 66 HG12 VAL 6 HG12 VAL 6 4.453 19.450 7.286 67 HG13 VAL 6 HG13 VAL 6 5.390 18.733 8.615 68 HG21 VAL 6 HG21 VAL 6 8.044 18.834 6.903 69 HG22 VAL 6 HG22 VAL 6 7.568 17.633 8.111 70 HG23 VAL 6 HG23 VAL 6 7.970 17.119 6.460 71 H VAL 7 H VAL 7 3.567 16.682 8.573 72 HA VAL 7 HA VAL 7 1.315 17.785 6.980 73 HB VAL 7 HB VAL 7 0.938 15.410 7.070 74 HG11 VAL 7 HG11 VAL 7 0.939 15.628 10.124 75 HG12 VAL 7 HG12 VAL 7 0.424 14.224 9.175 76 HG13 VAL 7 HG13 VAL 7 2.104 14.734 9.109 77 HG21 VAL 7 HG21 VAL 7 -1.314 15.393 7.903 78 HG22 VAL 7 HG22 VAL 7 -1.005 16.745 9.004 79 HG23 VAL 7 HG23 VAL 7 -1.009 16.998 7.243 80 H LEU 8 H LEU 8 -0.119 19.115 8.058 81 HA LEU 8 HA LEU 8 0.281 19.694 10.929 82 HB2 LEU 8 HB2 LEU 8 0.620 22.059 10.598 83 HB3 LEU 8 HB3 LEU 8 1.852 21.142 9.748 84 HG LEU 8 HG LEU 8 0.093 21.455 7.702 85 HD11 LEU 8 HD11 LEU 8 -1.525 22.839 8.974 86 HD12 LEU 8 HD12 LEU 8 -0.236 23.967 9.417 87 HD13 LEU 8 HD13 LEU 8 -0.740 23.798 7.722 88 HD21 LEU 8 HD21 LEU 8 2.471 22.045 7.646 89 HD22 LEU 8 HD22 LEU 8 1.479 23.310 6.921 90 HD23 LEU 8 HD23 LEU 8 2.125 23.536 8.560 91 H THR 9 H THR 9 -1.403 20.888 11.901 92 HA THR 9 HA THR 9 -3.955 21.096 10.358 93 HB THR 9 HB THR 9 -3.784 20.556 13.338 94 HG1 THR 9 HG1 THR 9 -3.034 18.769 12.229 95 HG21 THR 9 HG21 THR 9 -6.073 20.401 11.313 96 HG22 THR 9 HG22 THR 9 -6.171 19.908 13.019 97 HG23 THR 9 HG23 THR 9 -5.898 21.605 12.606 98 H LYS 10 H LYS 10 -4.805 23.035 10.243 99 HA LYS 10 HA LYS 10 -3.528 25.385 11.485 100 HB2 LYS 10 HB2 LYS 10 -5.896 25.033 9.618 101 HB3 LYS 10 HB3 LYS 10 -5.213 26.596 10.081 102 HG2 LYS 10 HG2 LYS 10 -3.008 25.846 9.085 103 HG3 LYS 10 HG3 LYS 10 -3.840 24.415 8.441 104 HD2 LYS 10 HD2 LYS 10 -4.528 27.317 7.818 105 HD3 LYS 10 HD3 LYS 10 -3.633 26.209 6.759 106 HE2 LYS 10 HE2 LYS 10 -5.583 24.744 6.551 107 HE3 LYS 10 HE3 LYS 10 -6.492 25.725 7.726 108 HZ1 LYS 10 HZ1 LYS 10 -6.410 27.581 6.197 109 HZ2 LYS 10 HZ2 LYS 10 -5.556 26.713 5.095 110 HZ3 LYS 10 HZ3 LYS 10 -7.100 26.300 5.455 111 H ALA 11 H ALA 11 -4.867 27.102 12.461 112 HA ALA 11 HA ALA 11 -6.247 26.226 14.786 113 HB1 ALA 11 HB1 ALA 11 -4.996 28.332 14.609 114 HB2 ALA 11 HB2 ALA 11 -6.171 28.961 13.436 115 HB3 ALA 11 HB3 ALA 11 -6.665 28.647 15.106 116 H ASP 12 H ASP 12 -7.546 26.962 11.570 117 HA ASP 12 HA ASP 12 -10.340 27.050 12.456 118 HB2 ASP 12 HB2 ASP 12 -10.859 27.351 10.123 119 HB3 ASP 12 HB3 ASP 12 -9.592 28.456 10.611 120 H GLY 13 H GLY 13 -8.238 24.500 12.206 121 HA2 GLY 13 HA2 GLY 13 -8.693 22.242 12.447 122 HA3 GLY 13 HA3 GLY 13 -10.364 22.489 11.954 123 H GLY 14 H GLY 14 -8.519 23.993 9.566 124 HA2 GLY 14 HA2 GLY 14 -8.757 21.814 7.632 125 HA3 GLY 14 HA3 GLY 14 -8.028 23.398 7.372 126 H ARG 15 H ARG 15 -6.916 21.024 6.373 127 HA ARG 15 HA ARG 15 -4.343 20.804 7.889 128 HB2 ARG 15 HB2 ARG 15 -6.037 18.535 6.780 129 HB3 ARG 15 HB3 ARG 15 -4.306 18.364 7.108 130 HG2 ARG 15 HG2 ARG 15 -4.655 19.071 9.436 131 HG3 ARG 15 HG3 ARG 15 -6.405 19.174 9.166 132 HD2 ARG 15 HD2 ARG 15 -6.553 16.798 8.783 133 HD3 ARG 15 HD3 ARG 15 -4.777 16.635 8.738 134 HE ARG 15 HE ARG 15 -5.101 17.728 11.174 135 HH11 ARG 15 HH11 ARG 15 -6.665 14.884 9.830 136 HH12 ARG 15 HH12 ARG 15 -6.829 14.141 11.400 137 HH21 ARG 15 HH21 ARG 15 -5.335 16.753 13.077 138 HH22 ARG 15 HH22 ARG 15 -6.069 15.172 13.212 139 H VAL 16 H VAL 16 -2.511 20.297 6.810 140 HA VAL 16 HA VAL 16 -2.441 20.677 3.863 141 HB VAL 16 HB VAL 16 -0.713 22.279 5.793 142 HG11 VAL 16 HG11 VAL 16 0.462 21.806 3.698 143 HG12 VAL 16 HG12 VAL 16 -0.926 22.384 2.759 144 HG13 VAL 16 HG13 VAL 16 -0.006 23.501 3.773 145 HG21 VAL 16 HG21 VAL 16 -1.908 24.275 4.931 146 HG22 VAL 16 HG22 VAL 16 -3.034 23.209 4.065 147 HG23 VAL 16 HG23 VAL 16 -2.967 23.217 5.848 148 H GLU 17 H GLU 17 -0.796 19.582 2.854 149 HA GLU 17 HA GLU 17 1.160 18.067 4.515 150 HB2 GLU 17 HB2 GLU 17 -0.479 16.926 2.224 151 HB3 GLU 17 HB3 GLU 17 0.899 16.132 2.989 152 HG2 GLU 17 HG2 GLU 17 -0.305 16.165 5.166 153 HG3 GLU 17 HG3 GLU 17 -1.721 16.865 4.372 154 H ILE 18 H ILE 18 3.129 17.681 3.656 155 HA ILE 18 HA ILE 18 3.844 18.817 0.981 156 HB ILE 18 HB ILE 18 5.477 19.157 3.534 157 HG12 ILE 18 HG12 ILE 18 5.048 21.712 2.761 158 HG13 ILE 18 HG13 ILE 18 3.543 21.030 2.173 159 HG21 ILE 18 HG21 ILE 18 5.936 20.187 0.707 160 HG22 ILE 18 HG22 ILE 18 6.942 20.548 2.131 161 HG23 ILE 18 HG23 ILE 18 6.852 18.895 1.512 162 HD11 ILE 18 HD11 ILE 18 4.639 20.976 5.026 163 HD12 ILE 18 HD12 ILE 18 3.252 21.904 4.430 164 HD13 ILE 18 HD13 ILE 18 3.143 20.145 4.543 165 H GLY 19 H GLY 19 4.404 17.084 -0.188 166 HA2 GLY 19 HA2 GLY 19 5.366 14.611 1.089 167 HA3 GLY 19 HA3 GLY 19 4.896 14.823 -0.586 168 H ASP 20 H ASP 20 7.145 13.388 0.334 169 HA ASP 20 HA ASP 20 9.319 13.010 -0.075 170 HB2 ASP 20 HB2 ASP 20 8.641 14.563 -2.571 171 HB3 ASP 20 HB3 ASP 20 10.042 13.495 -2.378 172 H VAL 21 H VAL 21 9.362 14.631 1.791 173 HA VAL 21 HA VAL 21 10.804 17.118 1.521 174 HB VAL 21 HB VAL 21 9.987 15.371 3.869 175 HG11 VAL 21 HG11 VAL 21 11.909 16.617 4.637 176 HG12 VAL 21 HG12 VAL 21 11.272 18.129 3.938 177 HG13 VAL 21 HG13 VAL 21 10.459 17.332 5.313 178 HG21 VAL 21 HG21 VAL 21 8.329 17.181 4.218 179 HG22 VAL 21 HG22 VAL 21 8.931 18.012 2.764 180 HG23 VAL 21 HG23 VAL 21 8.139 16.436 2.637 181 H LEU 22 H LEU 22 12.905 17.465 1.423 182 HA LEU 22 HA LEU 22 14.893 15.356 2.137 183 HB2 LEU 22 HB2 LEU 22 15.153 18.110 0.843 184 HB3 LEU 22 HB3 LEU 22 16.523 17.094 1.288 185 HG LEU 22 HG LEU 22 14.392 16.336 -0.762 186 HD11 LEU 22 HD11 LEU 22 17.289 17.260 -1.043 187 HD12 LEU 22 HD12 LEU 22 16.278 16.687 -2.379 188 HD13 LEU 22 HD13 LEU 22 15.844 18.174 -1.518 189 HD21 LEU 22 HD21 LEU 22 15.419 14.323 0.290 190 HD22 LEU 22 HD22 LEU 22 15.939 14.521 -1.384 191 HD23 LEU 22 HD23 LEU 22 17.033 14.966 -0.058 192 H GLU 23 H GLU 23 13.584 18.409 3.340 193 HA GLU 23 HA GLU 23 15.138 18.160 5.839 194 HB2 GLU 23 HB2 GLU 23 16.687 19.332 4.422 195 HB3 GLU 23 HB3 GLU 23 15.443 20.454 3.870 196 HG2 GLU 23 HG2 GLU 23 15.271 21.427 6.135 197 HG3 GLU 23 HG3 GLU 23 16.470 20.284 6.728 198 H VAL 24 H VAL 24 14.143 19.032 7.581 199 HA VAL 24 HA VAL 24 12.148 21.180 7.243 200 HB VAL 24 HB VAL 24 10.830 19.112 7.244 201 HG11 VAL 24 HG11 VAL 24 12.024 18.598 9.972 202 HG12 VAL 24 HG12 VAL 24 10.594 17.796 9.324 203 HG13 VAL 24 HG13 VAL 24 12.147 17.611 8.491 204 HG21 VAL 24 HG21 VAL 24 9.196 19.725 8.906 205 HG22 VAL 24 HG22 VAL 24 10.388 20.644 9.834 206 HG23 VAL 24 HG23 VAL 24 9.882 21.206 8.227 207 H ARG 25 H ARG 25 12.013 22.578 9.027 208 HA ARG 25 HA ARG 25 13.420 21.935 11.509 209 HB2 ARG 25 HB2 ARG 25 14.863 24.036 11.357 210 HB3 ARG 25 HB3 ARG 25 15.362 22.645 10.409 211 HG2 ARG 25 HG2 ARG 25 14.435 23.603 8.370 212 HG3 ARG 25 HG3 ARG 25 13.787 24.993 9.248 213 HD2 ARG 25 HD2 ARG 25 15.850 25.998 9.446 214 HD3 ARG 25 HD3 ARG 25 16.716 24.464 9.585 215 HE ARG 25 HE ARG 25 16.642 24.161 7.201 216 HH11 ARG 25 HH11 ARG 25 15.538 27.456 7.975 217 HH12 ARG 25 HH12 ARG 25 15.756 27.904 6.306 218 HH21 ARG 25 HH21 ARG 25 16.905 24.808 5.310 219 HH22 ARG 25 HH22 ARG 25 16.542 26.453 4.801 220 H ALA 26 H ALA 26 12.887 23.085 13.221 221 HA ALA 26 HA ALA 26 10.749 25.165 13.047 222 HB1 ALA 26 HB1 ALA 26 11.766 23.534 15.410 223 HB2 ALA 26 HB2 ALA 26 10.465 24.741 15.443 224 HB3 ALA 26 HB3 ALA 26 10.267 23.240 14.515 225 H GLU 27 H GLU 27 11.488 27.175 13.019 226 HA GLU 27 HA GLU 27 14.094 27.967 14.241 227 HB2 GLU 27 HB2 GLU 27 14.593 26.858 12.116 228 HB3 GLU 27 HB3 GLU 27 13.365 27.816 11.300 229 HG2 GLU 27 HG2 GLU 27 14.761 29.883 11.840 230 HG3 GLU 27 HG3 GLU 27 15.989 28.791 12.483 231 H GLY 28 H GLY 28 13.666 29.864 15.270 232 HA2 GLY 28 HA2 GLY 28 13.112 32.064 15.576 233 HA3 GLY 28 HA3 GLY 28 12.900 32.200 13.828 234 H GLY 29 H GLY 29 10.916 30.014 15.814 235 HA2 GLY 29 HA2 GLY 29 8.713 30.146 16.529 236 HA3 GLY 29 HA3 GLY 29 8.633 31.827 16.010 237 H ALA 30 H ALA 30 9.733 29.585 13.621 238 HA ALA 30 HA ALA 30 7.044 28.994 12.530 239 HB1 ALA 30 HB1 ALA 30 9.302 30.279 10.939 240 HB2 ALA 30 HB2 ALA 30 7.723 29.775 10.297 241 HB3 ALA 30 HB3 ALA 30 7.837 31.124 11.463 242 H VAL 31 H VAL 31 7.005 27.171 11.103 243 HA VAL 31 HA VAL 31 9.496 25.526 11.068 244 HB VAL 31 HB VAL 31 6.648 24.704 10.481 245 HG11 VAL 31 HG11 VAL 31 7.641 22.398 10.190 246 HG12 VAL 31 HG12 VAL 31 8.059 23.502 8.882 247 HG13 VAL 31 HG13 VAL 31 9.245 23.127 10.157 248 HG21 VAL 31 HG21 VAL 31 8.724 23.772 12.531 249 HG22 VAL 31 HG22 VAL 31 7.380 24.866 12.869 250 HG23 VAL 31 HG23 VAL 31 7.055 23.193 12.388 251 H ARG 32 H ARG 32 10.589 25.101 9.259 252 HA ARG 32 HA ARG 32 9.507 26.021 6.618 253 HB2 ARG 32 HB2 ARG 32 12.372 26.352 7.590 254 HB3 ARG 32 HB3 ARG 32 11.794 26.656 5.945 255 HG2 ARG 32 HG2 ARG 32 10.221 28.393 6.840 256 HG3 ARG 32 HG3 ARG 32 10.868 28.107 8.464 257 HD2 ARG 32 HD2 ARG 32 13.155 28.722 7.567 258 HD3 ARG 32 HD3 ARG 32 12.379 29.180 6.044 259 HE ARG 32 HE ARG 32 11.443 31.082 7.091 260 HH11 ARG 32 HH11 ARG 32 13.183 29.257 9.522 261 HH12 ARG 32 HH12 ARG 32 12.445 30.151 10.845 262 HH21 ARG 32 HH21 ARG 32 10.884 32.432 8.804 263 HH22 ARG 32 HH22 ARG 32 11.435 32.035 10.410 264 H VAL 33 H VAL 33 9.943 24.715 4.885 265 HA VAL 33 HA VAL 33 11.288 22.110 5.347 266 HB VAL 33 HB VAL 33 8.996 21.819 6.151 267 HG11 VAL 33 HG11 VAL 33 8.085 22.491 3.343 268 HG12 VAL 33 HG12 VAL 33 7.064 21.895 4.662 269 HG13 VAL 33 HG13 VAL 33 7.806 23.484 4.804 270 HG21 VAL 33 HG21 VAL 33 9.451 20.351 3.525 271 HG22 VAL 33 HG22 VAL 33 10.097 19.906 5.130 272 HG23 VAL 33 HG23 VAL 33 8.351 19.874 4.830 273 H THR 34 H THR 34 12.005 21.053 3.561 274 HA THR 34 HA THR 34 11.816 22.461 0.910 275 HB THR 34 HB THR 34 14.286 21.140 2.093 276 HG1 THR 34 HG1 THR 34 13.805 23.072 3.151 277 HG21 THR 34 HG21 THR 34 13.842 22.778 -0.435 278 HG22 THR 34 HG22 THR 34 15.442 22.367 0.228 279 HG23 THR 34 HG23 THR 34 14.368 21.083 -0.328 280 H THR 35 H THR 35 11.378 21.199 -0.784 281 HA THR 35 HA THR 35 11.099 18.248 -0.430 282 HB THR 35 HB THR 35 9.738 18.279 -2.398 283 HG1 THR 35 HG1 THR 35 10.171 21.074 -2.530 284 HG21 THR 35 HG21 THR 35 8.898 20.657 -0.688 285 HG22 THR 35 HG22 THR 35 7.867 19.633 -1.708 286 HG23 THR 35 HG23 THR 35 8.645 18.939 -0.270 287 H LEU 36 H LEU 36 11.624 16.858 -2.342 288 HA LEU 36 HA LEU 36 14.288 17.129 -3.254 289 HB2 LEU 36 HB2 LEU 36 14.007 15.129 -4.336 290 HB3 LEU 36 HB3 LEU 36 12.852 15.018 -3.023 291 HG LEU 36 HG LEU 36 12.265 15.603 -5.969 292 HD11 LEU 36 HD11 LEU 36 11.571 13.201 -4.246 293 HD12 LEU 36 HD12 LEU 36 11.196 13.426 -5.965 294 HD13 LEU 36 HD13 LEU 36 12.882 13.269 -5.437 295 HD21 LEU 36 HD21 LEU 36 10.403 15.466 -3.580 296 HD22 LEU 36 HD22 LEU 36 10.550 16.776 -4.743 297 HD23 LEU 36 HD23 LEU 36 9.842 15.250 -5.251 298 H PHE 37 H PHE 37 11.559 18.766 -4.504 299 HA PHE 37 HA PHE 37 12.596 19.181 -7.215 300 HB2 PHE 37 HB2 PHE 37 10.402 20.666 -5.728 301 HB3 PHE 37 HB3 PHE 37 10.684 20.660 -7.458 302 HD1 PHE 37 HD1 PHE 37 10.785 18.071 -8.473 303 HD2 PHE 37 HD2 PHE 37 8.564 19.413 -5.028 304 HE1 PHE 37 HE1 PHE 37 9.227 16.162 -8.742 305 HE2 PHE 37 HE2 PHE 37 6.995 17.505 -5.309 306 HZ PHE 37 HZ PHE 37 7.326 15.882 -7.165 307 H ASP 38 H ASP 38 13.632 20.308 -4.271 308 HA ASP 38 HA ASP 38 14.606 22.081 -3.378 309 HB2 ASP 38 HB2 ASP 38 15.143 23.230 -6.124 310 HB3 ASP 38 HB3 ASP 38 15.920 23.671 -4.614 311 H GLU 39 H GLU 39 11.688 22.094 -4.323 312 HA GLU 39 HA GLU 39 10.994 24.944 -4.066 313 HB2 GLU 39 HB2 GLU 39 9.601 23.558 -5.499 314 HB3 GLU 39 HB3 GLU 39 9.287 22.438 -4.189 315 HG2 GLU 39 HG2 GLU 39 7.345 23.777 -4.529 316 HG3 GLU 39 HG3 GLU 39 8.017 24.183 -2.969 317 H GLU 40 H GLU 40 9.962 25.837 -2.260 318 HA GLU 40 HA GLU 40 10.396 24.432 0.337 319 HB2 GLU 40 HB2 GLU 40 11.267 27.256 -0.412 320 HB3 GLU 40 HB3 GLU 40 11.294 26.578 1.233 321 HG2 GLU 40 HG2 GLU 40 12.895 24.872 0.553 322 HG3 GLU 40 HG3 GLU 40 12.849 25.433 -1.118 323 H HIS 41 H HIS 41 9.237 25.152 2.109 324 HA HIS 41 HA HIS 41 6.989 27.059 1.708 325 HB2 HIS 41 HB2 HIS 41 6.574 24.343 2.992 326 HB3 HIS 41 HB3 HIS 41 5.373 25.572 2.652 327 HD2 HIS 41 HD2 HIS 41 7.344 22.723 1.024 328 HE1 HIS 41 HE1 HIS 41 4.580 24.080 -1.934 329 HE2 HIS 41 HE2 HIS 41 6.279 22.262 -1.336 330 H ALA 42 H ALA 42 6.099 27.893 3.669 331 HA ALA 42 HA ALA 42 7.658 27.497 6.161 332 HB1 ALA 42 HB1 ALA 42 7.118 30.213 4.900 333 HB2 ALA 42 HB2 ALA 42 7.888 29.928 6.472 334 HB3 ALA 42 HB3 ALA 42 8.705 29.403 4.988 335 H PHE 43 H PHE 43 6.539 27.718 7.985 336 HA PHE 43 HA PHE 43 3.652 28.487 7.940 337 HB2 PHE 43 HB2 PHE 43 4.782 25.919 9.073 338 HB3 PHE 43 HB3 PHE 43 3.105 26.460 9.116 339 HD1 PHE 43 HD1 PHE 43 5.617 24.702 7.199 340 HD2 PHE 43 HD2 PHE 43 1.860 26.800 6.876 341 HE1 PHE 43 HE1 PHE 43 5.246 23.696 4.957 342 HE2 PHE 43 HE2 PHE 43 1.503 25.798 4.631 343 HZ PHE 43 HZ PHE 43 3.198 24.250 3.670 344 HA PRO 44 HA PRO 44 5.653 30.444 11.586 345 HB2 PRO 44 HB2 PRO 44 4.042 32.667 11.745 346 HB3 PRO 44 HB3 PRO 44 5.474 32.524 10.679 347 HG2 PRO 44 HG2 PRO 44 2.567 32.090 9.969 348 HG3 PRO 44 HG3 PRO 44 3.818 32.992 9.049 349 HD2 PRO 44 HD2 PRO 44 3.103 30.447 8.422 350 HD3 PRO 44 HD3 PRO 44 4.787 31.018 8.242 351 H GLY 45 H GLY 45 5.102 30.551 13.737 352 HA2 GLY 45 HA2 GLY 45 3.821 30.310 15.661 353 HA3 GLY 45 HA3 GLY 45 2.376 30.027 14.678 354 H LEU 46 H LEU 46 4.703 27.930 13.487 355 HA LEU 46 HA LEU 46 3.707 25.682 15.173 356 HB2 LEU 46 HB2 LEU 46 4.871 25.606 12.376 357 HB3 LEU 46 HB3 LEU 46 4.284 24.232 13.295 358 HG LEU 46 HG LEU 46 2.619 26.517 12.179 359 HD11 LEU 46 HD11 LEU 46 2.540 23.508 11.659 360 HD12 LEU 46 HD12 LEU 46 1.663 24.786 10.784 361 HD13 LEU 46 HD13 LEU 46 3.419 24.671 10.644 362 HD21 LEU 46 HD21 LEU 46 1.723 24.149 13.893 363 HD22 LEU 46 HD22 LEU 46 1.577 25.871 14.306 364 HD23 LEU 46 HD23 LEU 46 0.640 25.211 12.960 365 H ALA 47 H ALA 47 5.063 23.902 15.562 366 HA ALA 47 HA ALA 47 7.962 24.074 15.126 367 HB1 ALA 47 HB1 ALA 47 6.711 23.430 17.832 368 HB2 ALA 47 HB2 ALA 47 8.436 23.278 17.428 369 HB3 ALA 47 HB3 ALA 47 7.673 24.879 17.448 370 H ILE 48 H ILE 48 8.954 21.831 15.336 371 HA ILE 48 HA ILE 48 7.227 19.835 14.080 372 HB ILE 48 HB ILE 48 10.058 19.601 15.103 373 HG12 ILE 48 HG12 ILE 48 9.243 19.664 12.179 374 HG13 ILE 48 HG13 ILE 48 9.515 21.177 13.065 375 HG21 ILE 48 HG21 ILE 48 10.078 17.512 13.626 376 HG22 ILE 48 HG22 ILE 48 9.031 17.377 15.031 377 HG23 ILE 48 HG23 ILE 48 8.335 17.695 13.427 378 HD11 ILE 48 HD11 ILE 48 11.536 20.518 11.873 379 HD12 ILE 48 HD12 ILE 48 11.809 20.489 13.628 380 HD13 ILE 48 HD13 ILE 48 11.577 18.973 12.729 381 H GLY 49 H GLY 49 5.927 18.443 15.091 382 HA2 GLY 49 HA2 GLY 49 5.869 18.380 18.053 383 HA3 GLY 49 HA3 GLY 49 4.584 17.932 16.943 384 H ARG 50 H ARG 50 5.758 16.054 15.308 385 HA ARG 50 HA ARG 50 6.977 13.926 16.981 386 HB2 ARG 50 HB2 ARG 50 4.303 13.518 15.581 387 HB3 ARG 50 HB3 ARG 50 5.259 12.282 16.387 388 HG2 ARG 50 HG2 ARG 50 4.951 13.517 18.562 389 HG3 ARG 50 HG3 ARG 50 3.848 14.621 17.736 390 HD2 ARG 50 HD2 ARG 50 2.370 12.784 17.130 391 HD3 ARG 50 HD3 ARG 50 3.487 11.599 17.838 392 HE ARG 50 HE ARG 50 2.991 13.179 19.987 393 HH11 ARG 50 HH11 ARG 50 0.655 11.845 17.728 394 HH12 ARG 50 HH12 ARG 50 -0.546 11.641 18.965 395 HH21 ARG 50 HH21 ARG 50 1.497 12.660 21.537 396 HH22 ARG 50 HH22 ARG 50 -0.114 12.195 21.042 397 H VAL 51 H VAL 51 7.819 12.164 15.799 398 HA VAL 51 HA VAL 51 7.491 12.190 12.860 399 HB VAL 51 HB VAL 51 10.268 11.771 13.982 400 HG11 VAL 51 HG11 VAL 51 10.909 12.015 11.603 401 HG12 VAL 51 HG12 VAL 51 9.798 10.660 11.858 402 HG13 VAL 51 HG13 VAL 51 9.189 12.172 11.175 403 HG21 VAL 51 HG21 VAL 51 10.935 13.928 13.034 404 HG22 VAL 51 HG22 VAL 51 9.230 14.305 12.674 405 HG23 VAL 51 HG23 VAL 51 9.792 14.142 14.352 406 H ASP 52 H ASP 52 6.930 10.241 12.198 407 HA ASP 52 HA ASP 52 7.531 7.800 13.834 408 HB2 ASP 52 HB2 ASP 52 5.390 8.312 11.743 409 HB3 ASP 52 HB3 ASP 52 5.656 6.781 12.587 410 H LEU 53 H LEU 53 9.607 7.302 13.079 411 HA LEU 53 HA LEU 53 10.333 7.415 10.283 412 HB2 LEU 53 HB2 LEU 53 11.676 5.971 12.610 413 HB3 LEU 53 HB3 LEU 53 12.359 6.171 11.022 414 HG LEU 53 HG LEU 53 13.430 7.696 12.387 415 HD11 LEU 53 HD11 LEU 53 11.407 9.305 10.795 416 HD12 LEU 53 HD12 LEU 53 13.003 9.856 11.348 417 HD13 LEU 53 HD13 LEU 53 12.878 8.551 10.161 418 HD21 LEU 53 HD21 LEU 53 12.493 9.414 13.748 419 HD22 LEU 53 HD22 LEU 53 10.845 9.026 13.272 420 HD23 LEU 53 HD23 LEU 53 11.798 7.877 14.237 421 H ARG 54 H ARG 54 8.694 5.014 12.151 422 HA ARG 54 HA ARG 54 9.043 2.692 10.508 423 HB2 ARG 54 HB2 ARG 54 6.478 3.521 11.920 424 HB3 ARG 54 HB3 ARG 54 6.980 1.890 11.462 425 HG2 ARG 54 HG2 ARG 54 8.897 2.084 13.114 426 HG3 ARG 54 HG3 ARG 54 8.218 3.647 13.623 427 HD2 ARG 54 HD2 ARG 54 5.979 2.308 13.954 428 HD3 ARG 54 HD3 ARG 54 7.018 0.880 13.902 429 HE ARG 54 HE ARG 54 7.858 1.420 16.021 430 HH11 ARG 54 HH11 ARG 54 5.944 4.180 14.908 431 HH12 ARG 54 HH12 ARG 54 6.080 4.934 16.509 432 HH21 ARG 54 HH21 ARG 54 7.892 2.576 17.998 433 HH22 ARG 54 HH22 ARG 54 7.052 4.129 18.042 434 H SER 55 H SER 55 7.190 5.599 9.965 435 HA SER 55 HA SER 55 6.048 4.483 7.423 436 HB2 SER 55 HB2 SER 55 4.751 6.442 9.350 437 HB3 SER 55 HB3 SER 55 4.046 5.809 7.842 438 HG SER 55 HG SER 55 3.285 4.673 9.671 439 H GLY 56 H GLY 56 8.056 6.955 8.678 440 HA2 GLY 56 HA2 GLY 56 9.172 8.647 7.579 441 HA3 GLY 56 HA3 GLY 56 8.308 8.271 6.089 442 H VAL 57 H VAL 57 6.469 8.969 9.030 443 HA VAL 57 HA VAL 57 5.443 11.453 7.714 444 HB VAL 57 HB VAL 57 4.144 9.767 9.872 445 HG11 VAL 57 HG11 VAL 57 2.135 11.172 9.328 446 HG12 VAL 57 HG12 VAL 57 3.428 12.126 10.036 447 HG13 VAL 57 HG13 VAL 57 3.149 12.195 8.284 448 HG21 VAL 57 HG21 VAL 57 2.526 9.197 8.054 449 HG22 VAL 57 HG22 VAL 57 3.565 10.047 6.887 450 HG23 VAL 57 HG23 VAL 57 4.155 8.596 7.718 451 H ILE 58 H ILE 58 6.117 13.304 8.419 452 HA ILE 58 HA ILE 58 6.935 13.786 11.248 453 HB ILE 58 HB ILE 58 7.215 15.440 8.726 454 HG12 ILE 58 HG12 ILE 58 9.623 14.509 10.267 455 HG13 ILE 58 HG13 ILE 58 8.815 13.340 9.234 456 HG21 ILE 58 HG21 ILE 58 8.654 16.953 10.145 457 HG22 ILE 58 HG22 ILE 58 6.948 16.988 10.564 458 HG23 ILE 58 HG23 ILE 58 8.087 16.071 11.580 459 HD11 ILE 58 HD11 ILE 58 9.044 14.774 7.286 460 HD12 ILE 58 HD12 ILE 58 9.834 16.022 8.254 461 HD13 ILE 58 HD13 ILE 58 10.621 14.461 8.038 462 H SER 59 H SER 59 5.613 15.036 12.529 463 HA SER 59 HA SER 59 3.180 16.321 11.306 464 HB2 SER 59 HB2 SER 59 2.571 14.204 12.366 465 HB3 SER 59 HB3 SER 59 3.295 14.752 13.892 466 HG SER 59 HG SER 59 1.030 15.116 13.797 467 H LEU 60 H LEU 60 2.860 18.376 11.851 468 HA LEU 60 HA LEU 60 4.674 19.671 13.819 469 HB2 LEU 60 HB2 LEU 60 2.834 21.022 11.847 470 HB3 LEU 60 HB3 LEU 60 4.156 21.732 12.753 471 HG LEU 60 HG LEU 60 4.351 19.776 10.423 472 HD11 LEU 60 HD11 LEU 60 5.504 21.676 9.334 473 HD12 LEU 60 HD12 LEU 60 3.864 22.119 9.829 474 HD13 LEU 60 HD13 LEU 60 5.243 22.667 10.791 475 HD21 LEU 60 HD21 LEU 60 6.821 20.059 10.573 476 HD22 LEU 60 HD22 LEU 60 6.611 20.943 12.095 477 HD23 LEU 60 HD23 LEU 60 6.174 19.222 11.978 478 H ILE 61 H ILE 61 3.949 21.221 15.299 479 HA ILE 61 HA ILE 61 1.083 21.250 16.066 480 HB ILE 61 HB ILE 61 1.656 21.096 18.445 481 HG12 ILE 61 HG12 ILE 61 3.868 19.742 18.910 482 HG13 ILE 61 HG13 ILE 61 4.479 20.545 17.470 483 HG21 ILE 61 HG21 ILE 61 1.823 18.679 18.525 484 HG22 ILE 61 HG22 ILE 61 0.782 19.175 17.193 485 HG23 ILE 61 HG23 ILE 61 2.433 18.620 16.854 486 HD11 ILE 61 HD11 ILE 61 5.086 21.680 19.588 487 HD12 ILE 61 HD12 ILE 61 4.117 22.750 18.569 488 HD13 ILE 61 HD13 ILE 61 3.361 21.921 19.958 489 H GLU 62 H GLU 62 0.481 23.119 17.364 490 HA GLU 62 HA GLU 62 1.952 25.512 16.545 491 HB2 GLU 62 HB2 GLU 62 0.224 26.767 17.675 492 HB3 GLU 62 HB3 GLU 62 -0.410 25.684 16.455 493 HG2 GLU 62 HG2 GLU 62 -0.442 24.913 19.399 494 HG3 GLU 62 HG3 GLU 62 -1.637 26.000 18.725 495 H GLU 63 H GLU 63 3.279 26.785 17.664 496 HA GLU 63 HA GLU 63 4.468 25.669 20.103 497 HB2 GLU 63 HB2 GLU 63 6.240 27.175 19.761 498 HB3 GLU 63 HB3 GLU 63 5.847 26.430 18.220 499 HG2 GLU 63 HG2 GLU 63 5.567 28.418 17.237 500 HG3 GLU 63 HG3 GLU 63 4.353 28.907 18.416 501 H GLN 64 H GLN 64 2.003 27.882 19.584 502 HA GLN 64 HA GLN 64 2.217 28.952 22.371 503 HB2 GLN 64 HB2 GLN 64 0.837 30.223 19.968 504 HB3 GLN 64 HB3 GLN 64 0.772 30.839 21.614 505 HG2 GLN 64 HG2 GLN 64 3.291 30.597 19.917 506 HG3 GLN 64 HG3 GLN 64 2.386 32.070 20.222 507 HE21 GLN 64 HE21 GLN 64 5.241 31.272 20.894 508 HE22 GLN 64 HE22 GLN 64 5.349 31.739 22.598 509 H ASN 65 H ASN 65 0.541 28.538 23.714 510 HA ASN 65 HA ASN 65 -1.795 26.973 22.684 511 HB2 ASN 65 HB2 ASN 65 -0.137 26.360 25.166 512 HB3 ASN 65 HB3 ASN 65 -1.528 25.450 24.584 513 HD21 ASN 65 HD21 ASN 65 -0.334 25.762 21.664 514 HD22 ASN 65 HD22 ASN 65 0.868 24.483 21.672 515 H ARG 66 H ARG 66 -1.769 29.751 23.234 516 HA ARG 66 HA ARG 66 -2.678 30.421 25.880 517 HB2 ARG 66 HB2 ARG 66 -3.012 32.055 23.318 518 HB3 ARG 66 HB3 ARG 66 -3.000 32.655 24.972 519 HG2 ARG 66 HG2 ARG 66 -0.645 31.487 23.441 520 HG3 ARG 66 HG3 ARG 66 -0.913 33.184 23.833 521 HD2 ARG 66 HD2 ARG 66 -0.604 32.762 26.192 522 HD3 ARG 66 HD3 ARG 66 -0.531 31.004 25.933 523 HE ARG 66 HE ARG 66 1.492 31.953 24.331 524 HH11 ARG 66 HH11 ARG 66 0.895 32.285 27.774 525 HH12 ARG 66 HH12 ARG 66 2.596 32.355 28.125 526 HH21 ARG 66 HH21 ARG 66 3.544 31.985 24.826 527 HH22 ARG 66 HH22 ARG 66 4.094 32.212 26.482 528 H1 GLY -3 H1 GLY -3 16.566 -8.743 4.198 529 H2 GLY -3 H2 GLY -3 17.587 -9.698 5.042 530 H3 GLY -3 H3 GLY -3 17.552 -8.092 5.340 531 HA2 GLY -3 HA2 GLY -3 15.297 -8.200 6.148 532 HA3 GLY -3 HA3 GLY -3 15.344 -9.957 5.877 533 HA PRO -2 HA PRO -2 14.185 -10.788 7.495 534 HB2 PRO -2 HB2 PRO -2 13.007 -10.954 9.938 535 HB3 PRO -2 HB3 PRO -2 14.334 -12.042 9.426 536 HG2 PRO -2 HG2 PRO -2 14.538 -9.516 11.108 537 HG3 PRO -2 HG3 PRO -2 15.228 -11.135 11.460 538 HD2 PRO -2 HD2 PRO -2 16.717 -9.161 10.280 539 HD3 PRO -2 HD3 PRO -2 16.923 -10.875 9.834 540 H GLY -1 H GLY -1 14.632 -7.807 9.357 541 HA2 GLY -1 HA2 GLY -1 11.939 -6.744 8.871 542 HA3 GLY -1 HA3 GLY -1 13.303 -5.899 9.597 543 H SER 0 H SER 0 11.715 -4.565 7.887 544 HA SER 0 HA SER 0 13.446 -4.072 5.508 545 HB2 SER 0 HB2 SER 0 11.467 -3.788 4.105 546 HB3 SER 0 HB3 SER 0 11.520 -5.414 4.798 547 HG SER 0 HG SER 0 9.899 -4.871 6.218 548 H MET 1 H MET 1 12.375 -2.666 8.263 549 HA MET 1 HA MET 1 11.726 0.018 7.284 550 HB2 MET 1 HB2 MET 1 12.469 -0.982 10.072 551 HB3 MET 1 HB3 MET 1 11.932 0.652 9.666 552 HG2 MET 1 HG2 MET 1 9.815 -0.338 8.725 553 HG3 MET 1 HG3 MET 1 10.289 -1.885 9.399 554 HE1 MET 1 HE1 MET 1 11.620 -1.020 12.256 555 HE2 MET 1 HE2 MET 1 10.181 -1.200 13.276 556 HE3 MET 1 HE3 MET 1 10.511 -2.388 11.983 557 H CYS 2 H CYS 2 13.002 1.900 7.842 558 HA CYS 2 HA CYS 2 15.881 1.517 8.373 559 HB2 CYS 2 HB2 CYS 2 15.633 1.693 5.893 560 HB3 CYS 2 HB3 CYS 2 14.831 3.256 6.103 561 HG CYS 2 HG CYS 2 17.928 2.307 6.897 562 H MET 3 H MET 3 16.727 3.096 9.667 563 HA MET 3 HA MET 3 14.683 4.831 10.993 564 HB2 MET 3 HB2 MET 3 16.833 3.018 12.115 565 HB3 MET 3 HB3 MET 3 16.099 4.312 13.053 566 HG2 MET 3 HG2 MET 3 14.846 2.458 13.644 567 HG3 MET 3 HG3 MET 3 13.835 3.356 12.527 568 HE1 MET 3 HE1 MET 3 16.008 0.277 13.201 569 HE2 MET 3 HE2 MET 3 15.863 -0.726 11.746 570 HE3 MET 3 HE3 MET 3 16.833 0.762 11.700 571 H ALA 4 H ALA 4 15.306 6.616 12.153 572 HA ALA 4 HA ALA 4 17.540 8.201 11.057 573 HB1 ALA 4 HB1 ALA 4 15.301 9.190 11.371 574 HB2 ALA 4 HB2 ALA 4 15.373 8.824 13.115 575 HB3 ALA 4 HB3 ALA 4 16.483 10.001 12.403 576 H LYS 5 H LYS 5 18.706 9.544 12.729 577 HA LYS 5 HA LYS 5 19.167 8.233 15.349 578 HB2 LYS 5 HB2 LYS 5 21.497 8.900 15.363 579 HB3 LYS 5 HB3 LYS 5 21.167 7.765 14.068 580 HG2 LYS 5 HG2 LYS 5 21.195 9.549 12.391 581 HG3 LYS 5 HG3 LYS 5 21.379 10.786 13.644 582 HD2 LYS 5 HD2 LYS 5 23.394 8.555 13.178 583 HD3 LYS 5 HD3 LYS 5 23.500 10.154 12.425 584 HE2 LYS 5 HE2 LYS 5 23.583 11.239 14.638 585 HE3 LYS 5 HE3 LYS 5 23.441 9.671 15.429 586 HZ1 LYS 5 HZ1 LYS 5 25.720 10.356 15.346 587 HZ2 LYS 5 HZ2 LYS 5 25.554 9.039 14.399 588 HZ3 LYS 5 HZ3 LYS 5 25.702 10.518 13.712 589 H VAL 6 H VAL 6 19.420 9.598 17.088 590 HA VAL 6 HA VAL 6 18.521 12.439 16.683 591 HB VAL 6 HB VAL 6 18.097 10.544 18.990 592 HG11 VAL 6 HG11 VAL 6 16.858 12.412 20.103 593 HG12 VAL 6 HG12 VAL 6 18.598 12.688 20.038 594 HG13 VAL 6 HG13 VAL 6 17.525 13.532 18.898 595 HG21 VAL 6 HG21 VAL 6 15.781 10.861 18.575 596 HG22 VAL 6 HG22 VAL 6 16.082 12.179 17.418 597 HG23 VAL 6 HG23 VAL 6 16.501 10.513 16.999 598 H VAL 7 H VAL 7 19.673 14.104 17.539 599 HA VAL 7 HA VAL 7 21.914 13.545 19.393 600 HB VAL 7 HB VAL 7 22.948 13.671 17.200 601 HG11 VAL 7 HG11 VAL 7 21.376 15.075 15.959 602 HG12 VAL 7 HG12 VAL 7 21.822 16.487 16.941 603 HG13 VAL 7 HG13 VAL 7 23.012 15.731 15.870 604 HG21 VAL 7 HG21 VAL 7 24.644 15.310 17.654 605 HG22 VAL 7 HG22 VAL 7 23.595 16.240 18.728 606 HG23 VAL 7 HG23 VAL 7 24.143 14.610 19.205 607 H LEU 8 H LEU 8 22.309 15.034 20.926 608 HA LEU 8 HA LEU 8 20.930 17.628 21.000 609 HB2 LEU 8 HB2 LEU 8 19.772 17.157 23.084 610 HB3 LEU 8 HB3 LEU 8 19.167 16.140 21.816 611 HG LEU 8 HG LEU 8 21.340 14.984 23.578 612 HD11 LEU 8 HD11 LEU 8 19.778 14.359 25.300 613 HD12 LEU 8 HD12 LEU 8 19.851 16.115 25.169 614 HD13 LEU 8 HD13 LEU 8 18.462 15.237 24.481 615 HD21 LEU 8 HD21 LEU 8 18.743 13.809 22.469 616 HD22 LEU 8 HD22 LEU 8 20.361 13.567 21.765 617 HD23 LEU 8 HD23 LEU 8 19.987 12.931 23.370 618 H THR 9 H THR 9 21.496 18.928 22.834 619 HA THR 9 HA THR 9 24.050 18.200 24.236 620 HB THR 9 HB THR 9 23.114 21.029 23.673 621 HG1 THR 9 HG1 THR 9 23.628 20.059 21.738 622 HG21 THR 9 HG21 THR 9 25.783 19.853 24.586 623 HG22 THR 9 HG22 THR 9 25.495 21.562 24.192 624 HG23 THR 9 HG23 THR 9 24.670 20.831 25.573 625 H LYS 10 H LYS 10 23.927 18.066 26.362 626 HA LYS 10 HA LYS 10 21.412 18.455 27.814 627 HB2 LYS 10 HB2 LYS 10 24.176 17.572 28.720 628 HB3 LYS 10 HB3 LYS 10 22.709 17.529 29.717 629 HG2 LYS 10 HG2 LYS 10 21.647 16.005 28.013 630 HG3 LYS 10 HG3 LYS 10 23.200 15.912 27.169 631 HD2 LYS 10 HD2 LYS 10 22.728 15.080 30.063 632 HD3 LYS 10 HD3 LYS 10 22.769 13.987 28.676 633 HE2 LYS 10 HE2 LYS 10 25.125 14.682 28.209 634 HE3 LYS 10 HE3 LYS 10 25.071 15.757 29.610 635 HZ1 LYS 10 HZ1 LYS 10 26.090 13.636 30.172 636 HZ2 LYS 10 HZ2 LYS 10 24.709 13.802 31.019 637 HZ3 LYS 10 HZ3 LYS 10 24.754 12.809 29.729 638 H ALA 11 H ALA 11 21.319 19.592 29.891 639 HA ALA 11 HA ALA 11 22.085 22.325 29.776 640 HB1 ALA 11 HB1 ALA 11 20.141 21.449 31.038 641 HB2 ALA 11 HB2 ALA 11 21.234 20.604 32.153 642 HB3 ALA 11 HB3 ALA 11 21.227 22.376 32.091 643 H ASP 12 H ASP 12 23.817 19.551 31.095 644 HA ASP 12 HA ASP 12 25.863 21.111 32.490 645 HB2 ASP 12 HB2 ASP 12 25.770 18.180 31.688 646 HB3 ASP 12 HB3 ASP 12 26.967 18.908 32.746 647 H GLY 13 H GLY 13 25.310 20.815 29.225 648 HA2 GLY 13 HA2 GLY 13 26.573 21.615 27.464 649 HA3 GLY 13 HA3 GLY 13 28.004 21.666 28.489 650 H GLY 14 H GLY 14 26.934 18.576 28.894 651 HA2 GLY 14 HA2 GLY 14 28.775 17.367 26.942 652 HA3 GLY 14 HA3 GLY 14 27.781 16.519 28.131 653 H ARG 15 H ARG 15 28.128 15.801 25.339 654 HA ARG 15 HA ARG 15 25.365 16.228 24.233 655 HB2 ARG 15 HB2 ARG 15 28.035 15.875 22.808 656 HB3 ARG 15 HB3 ARG 15 26.475 15.616 22.007 657 HG2 ARG 15 HG2 ARG 15 25.732 17.868 22.638 658 HG3 ARG 15 HG3 ARG 15 27.289 18.195 23.412 659 HD2 ARG 15 HD2 ARG 15 28.435 18.068 21.293 660 HD3 ARG 15 HD3 ARG 15 26.974 17.465 20.476 661 HE ARG 15 HE ARG 15 26.075 19.796 21.529 662 HH11 ARG 15 HH11 ARG 15 28.833 19.210 19.440 663 HH12 ARG 15 HH12 ARG 15 28.771 20.823 18.769 664 HH21 ARG 15 HH21 ARG 15 26.047 21.791 20.653 665 HH22 ARG 15 HH22 ARG 15 27.206 22.251 19.434 666 H VAL 16 H VAL 16 24.281 14.663 23.228 667 HA VAL 16 HA VAL 16 24.989 11.823 23.836 668 HB VAL 16 HB VAL 16 22.332 13.168 24.447 669 HG11 VAL 16 HG11 VAL 16 21.873 10.922 23.575 670 HG12 VAL 16 HG12 VAL 16 23.102 10.218 24.664 671 HG13 VAL 16 HG13 VAL 16 21.624 10.947 25.315 672 HG21 VAL 16 HG21 VAL 16 22.778 12.385 26.765 673 HG22 VAL 16 HG22 VAL 16 24.379 11.806 26.246 674 HG23 VAL 16 HG23 VAL 16 24.000 13.543 26.214 675 H GLU 17 H GLU 17 24.400 10.376 22.337 676 HA GLU 17 HA GLU 17 22.765 11.209 20.010 677 HB2 GLU 17 HB2 GLU 17 25.428 9.756 19.859 678 HB3 GLU 17 HB3 GLU 17 24.275 9.897 18.524 679 HG2 GLU 17 HG2 GLU 17 24.475 12.362 18.599 680 HG3 GLU 17 HG3 GLU 17 25.627 12.246 19.920 681 H ILE 18 H ILE 18 21.450 9.638 19.151 682 HA ILE 18 HA ILE 18 21.427 6.906 20.422 683 HB ILE 18 HB ILE 18 19.032 8.695 19.941 684 HG12 ILE 18 HG12 ILE 18 19.861 7.626 22.663 685 HG13 ILE 18 HG13 ILE 18 20.500 9.153 22.063 686 HG21 ILE 18 HG21 ILE 18 19.172 5.854 21.084 687 HG22 ILE 18 HG22 ILE 18 17.705 6.843 20.961 688 HG23 ILE 18 HG23 ILE 18 18.515 6.304 19.501 689 HD11 ILE 18 HD11 ILE 18 17.545 8.581 22.420 690 HD12 ILE 18 HD12 ILE 18 18.582 9.544 23.474 691 HD13 ILE 18 HD13 ILE 18 18.277 10.095 21.818 692 H GLY 19 H GLY 19 21.490 5.360 18.908 693 HA2 GLY 19 HA2 GLY 19 20.900 5.994 16.065 694 HA3 GLY 19 HA3 GLY 19 21.785 4.599 16.663 695 H ASP 20 H ASP 20 19.906 4.303 14.768 696 HA ASP 20 HA ASP 20 18.069 3.180 14.095 697 HB2 ASP 20 HB2 ASP 20 18.445 1.432 16.525 698 HB3 ASP 20 HB3 ASP 20 17.787 1.014 14.947 699 H VAL 21 H VAL 21 17.216 5.444 15.155 700 HA VAL 21 HA VAL 21 15.168 5.112 17.197 701 HB VAL 21 HB VAL 21 15.913 7.442 15.391 702 HG11 VAL 21 HG11 VAL 21 13.568 7.754 16.001 703 HG12 VAL 21 HG12 VAL 21 13.919 7.335 17.686 704 HG13 VAL 21 HG13 VAL 21 14.584 8.826 16.965 705 HG21 VAL 21 HG21 VAL 21 16.386 6.852 18.349 706 HG22 VAL 21 HG22 VAL 21 17.616 6.825 17.074 707 HG23 VAL 21 HG23 VAL 21 16.846 8.353 17.521 708 H LEU 22 H LEU 22 13.213 4.359 16.942 709 HA LEU 22 HA LEU 22 11.898 4.058 14.308 710 HB2 LEU 22 HB2 LEU 22 10.976 3.403 17.133 711 HB3 LEU 22 HB3 LEU 22 10.087 3.029 15.664 712 HG LEU 22 HG LEU 22 12.795 1.855 16.397 713 HD11 LEU 22 HD11 LEU 22 10.923 1.095 17.837 714 HD12 LEU 22 HD12 LEU 22 9.991 0.660 16.393 715 HD13 LEU 22 HD13 LEU 22 11.488 -0.210 16.782 716 HD21 LEU 22 HD21 LEU 22 12.442 1.930 13.930 717 HD22 LEU 22 HD22 LEU 22 12.364 0.278 14.546 718 HD23 LEU 22 HD23 LEU 22 10.863 1.139 14.139 719 H GLU 23 H GLU 23 11.682 6.233 17.157 720 HA GLU 23 HA GLU 23 9.689 7.904 15.798 721 HB2 GLU 23 HB2 GLU 23 8.319 6.102 16.654 722 HB3 GLU 23 HB3 GLU 23 9.039 6.227 18.244 723 HG2 GLU 23 HG2 GLU 23 7.996 8.417 18.602 724 HG3 GLU 23 HG3 GLU 23 7.331 8.389 16.959 725 H VAL 24 H VAL 24 9.521 9.942 16.645 726 HA VAL 24 HA VAL 24 10.648 10.514 19.306 727 HB VAL 24 HB VAL 24 11.563 12.707 18.588 728 HG11 VAL 24 HG11 VAL 24 12.960 10.369 17.274 729 HG12 VAL 24 HG12 VAL 24 13.684 11.900 17.801 730 HG13 VAL 24 HG13 VAL 24 13.025 10.773 19.002 731 HG21 VAL 24 HG21 VAL 24 10.417 12.877 16.362 732 HG22 VAL 24 HG22 VAL 24 12.161 13.174 16.318 733 HG23 VAL 24 HG23 VAL 24 11.512 11.607 15.777 734 H ARG 25 H ARG 25 9.756 12.299 20.366 735 HA ARG 25 HA ARG 25 7.522 13.786 19.088 736 HB2 ARG 25 HB2 ARG 25 7.168 12.515 21.823 737 HB3 ARG 25 HB3 ARG 25 5.986 13.399 20.867 738 HG2 ARG 25 HG2 ARG 25 5.966 11.495 19.219 739 HG3 ARG 25 HG3 ARG 25 7.073 10.606 20.300 740 HD2 ARG 25 HD2 ARG 25 5.452 10.856 22.161 741 HD3 ARG 25 HD3 ARG 25 4.358 11.736 21.063 742 HE ARG 25 HE ARG 25 5.067 9.120 20.003 743 HH11 ARG 25 HH11 ARG 25 2.856 10.650 22.291 744 HH12 ARG 25 HH12 ARG 25 1.756 9.284 22.200 745 HH21 ARG 25 HH21 ARG 25 3.755 7.545 19.959 746 HH22 ARG 25 HH22 ARG 25 2.257 7.497 20.886 747 H ALA 26 H ALA 26 7.591 15.871 19.610 748 HA ALA 26 HA ALA 26 8.892 16.842 22.107 749 HB1 ALA 26 HB1 ALA 26 9.292 18.141 20.062 750 HB2 ALA 26 HB2 ALA 26 7.544 18.337 19.812 751 HB3 ALA 26 HB3 ALA 26 8.318 19.071 21.237 752 H GLU 27 H GLU 27 7.616 16.166 23.783 753 HA GLU 27 HA GLU 27 4.708 16.708 23.800 754 HB2 GLU 27 HB2 GLU 27 4.956 14.602 22.572 755 HB3 GLU 27 HB3 GLU 27 5.913 13.917 23.883 756 HG2 GLU 27 HG2 GLU 27 3.909 14.044 25.381 757 HG3 GLU 27 HG3 GLU 27 2.978 14.743 24.044 758 H GLY 28 H GLY 28 3.892 17.020 25.823 759 HA2 GLY 28 HA2 GLY 28 3.763 17.218 28.104 760 HA3 GLY 28 HA3 GLY 28 4.839 15.827 28.219 761 H GLY 29 H GLY 29 5.861 18.856 26.696 762 HA2 GLY 29 HA2 GLY 29 7.404 20.462 27.331 763 HA3 GLY 29 HA3 GLY 29 7.286 19.935 29.000 764 H ALA 30 H ALA 30 8.106 17.571 26.554 765 HA ALA 30 HA ALA 30 11.020 17.691 27.050 766 HB1 ALA 30 HB1 ALA 30 9.243 15.246 27.547 767 HB2 ALA 30 HB2 ALA 30 11.006 15.312 27.744 768 HB3 ALA 30 HB3 ALA 30 9.957 16.227 28.836 769 H VAL 31 H VAL 31 12.205 16.130 25.626 770 HA VAL 31 HA VAL 31 10.595 15.270 23.266 771 HB VAL 31 HB VAL 31 13.574 15.600 23.398 772 HG11 VAL 31 HG11 VAL 31 13.459 14.805 20.980 773 HG12 VAL 31 HG12 VAL 31 13.204 13.531 22.162 774 HG13 VAL 31 HG13 VAL 31 11.821 14.239 21.294 775 HG21 VAL 31 HG21 VAL 31 13.138 17.156 21.561 776 HG22 VAL 31 HG22 VAL 31 11.407 16.717 21.546 777 HG23 VAL 31 HG23 VAL 31 12.105 17.583 22.926 778 H ARG 32 H ARG 32 9.945 13.310 23.168 779 HA ARG 32 HA ARG 32 11.242 11.097 24.686 780 HB2 ARG 32 HB2 ARG 32 8.630 11.237 23.126 781 HB3 ARG 32 HB3 ARG 32 9.315 9.748 23.793 782 HG2 ARG 32 HG2 ARG 32 9.195 10.644 26.069 783 HG3 ARG 32 HG3 ARG 32 8.617 12.201 25.470 784 HD2 ARG 32 HD2 ARG 32 6.759 10.920 26.341 785 HD3 ARG 32 HD3 ARG 32 6.588 11.131 24.594 786 HE ARG 32 HE ARG 32 7.885 8.618 25.384 787 HH11 ARG 32 HH11 ARG 32 4.700 10.041 24.687 788 HH12 ARG 32 HH12 ARG 32 4.006 8.457 24.493 789 HH21 ARG 32 HH21 ARG 32 6.926 6.722 25.032 790 HH22 ARG 32 HH22 ARG 32 5.211 6.635 24.677 791 H VAL 33 H VAL 33 12.115 9.347 23.684 792 HA VAL 33 HA VAL 33 12.237 9.204 20.706 793 HB VAL 33 HB VAL 33 14.640 8.523 22.409 794 HG11 VAL 33 HG11 VAL 33 14.319 8.948 19.434 795 HG12 VAL 33 HG12 VAL 33 15.865 8.706 20.260 796 HG13 VAL 33 HG13 VAL 33 14.660 7.427 20.278 797 HG21 VAL 33 HG21 VAL 33 14.200 11.152 20.938 798 HG22 VAL 33 HG22 VAL 33 14.395 10.946 22.694 799 HG23 VAL 33 HG23 VAL 33 15.752 10.612 21.620 800 H THR 34 H THR 34 12.084 7.099 19.930 801 HA THR 34 HA THR 34 12.152 4.819 21.880 802 HB THR 34 HB THR 34 10.348 5.009 19.455 803 HG1 THR 34 HG1 THR 34 9.729 5.356 22.193 804 HG21 THR 34 HG21 THR 34 9.163 3.099 20.533 805 HG22 THR 34 HG22 THR 34 10.807 2.693 20.033 806 HG23 THR 34 HG23 THR 34 10.469 3.014 21.742 807 H THR 35 H THR 35 13.462 3.139 21.316 808 HA THR 35 HA THR 35 14.909 3.328 18.708 809 HB THR 35 HB THR 35 16.656 2.055 19.680 810 HG1 THR 35 HG1 THR 35 16.509 1.438 21.910 811 HG21 THR 35 HG21 THR 35 17.481 3.512 21.420 812 HG22 THR 35 HG22 THR 35 16.605 4.497 20.240 813 HG23 THR 35 HG23 THR 35 15.846 4.105 21.797 814 H LEU 36 H LEU 36 15.601 1.381 17.669 815 HA LEU 36 HA LEU 36 13.762 -0.460 16.799 816 HB2 LEU 36 HB2 LEU 36 15.942 0.040 15.826 817 HB3 LEU 36 HB3 LEU 36 16.777 -0.672 17.206 818 HG LEU 36 HG LEU 36 15.918 -2.914 16.562 819 HD11 LEU 36 HD11 LEU 36 14.801 -1.403 14.169 820 HD12 LEU 36 HD12 LEU 36 14.963 -3.169 14.265 821 HD13 LEU 36 HD13 LEU 36 13.869 -2.313 15.365 822 HD21 LEU 36 HD21 LEU 36 17.349 -1.432 14.327 823 HD22 LEU 36 HD22 LEU 36 18.121 -2.104 15.777 824 HD23 LEU 36 HD23 LEU 36 17.356 -3.194 14.607 825 H PHE 37 H PHE 37 15.573 -0.660 19.799 826 HA PHE 37 HA PHE 37 14.978 -3.481 20.310 827 HB2 PHE 37 HB2 PHE 37 16.340 -1.453 22.100 828 HB3 PHE 37 HB3 PHE 37 16.435 -3.213 22.196 829 HD1 PHE 37 HD1 PHE 37 17.962 -0.251 20.813 830 HD2 PHE 37 HD2 PHE 37 17.389 -4.465 20.106 831 HE1 PHE 37 HE1 PHE 37 19.801 -0.221 19.145 832 HE2 PHE 37 HE2 PHE 37 19.239 -4.429 18.433 833 HZ PHE 37 HZ PHE 37 20.442 -2.307 17.950 834 H ASP 38 H ASP 38 12.926 -1.023 20.423 835 HA ASP 38 HA ASP 38 11.075 -0.410 21.477 836 HB2 ASP 38 HB2 ASP 38 11.110 -3.057 22.952 837 HB3 ASP 38 HB3 ASP 38 9.731 -1.981 22.752 838 H GLU 39 H GLU 39 13.823 -0.072 22.847 839 HA GLU 39 HA GLU 39 12.991 0.722 25.578 840 HB2 GLU 39 HB2 GLU 39 15.602 1.051 24.040 841 HB3 GLU 39 HB3 GLU 39 15.321 1.703 25.646 842 HG2 GLU 39 HG2 GLU 39 15.278 -1.229 24.885 843 HG3 GLU 39 HG3 GLU 39 16.544 -0.374 25.775 844 H GLU 40 H GLU 40 13.369 2.895 26.289 845 HA GLU 40 HA GLU 40 12.787 4.998 24.286 846 HB2 GLU 40 HB2 GLU 40 11.129 4.543 26.793 847 HB3 GLU 40 HB3 GLU 40 11.106 6.018 25.813 848 HG2 GLU 40 HG2 GLU 40 10.436 4.633 23.827 849 HG3 GLU 40 HG3 GLU 40 10.288 3.235 24.898 850 H HIS 41 H HIS 41 13.202 7.094 24.861 851 HA HIS 41 HA HIS 41 14.751 7.639 27.356 852 HB2 HIS 41 HB2 HIS 41 15.464 8.732 24.603 853 HB3 HIS 41 HB3 HIS 41 16.281 9.065 26.131 854 HD2 HIS 41 HD2 HIS 41 16.128 6.526 23.299 855 HE1 HIS 41 HE1 HIS 41 18.950 4.961 26.078 856 HE2 HIS 41 HE2 HIS 41 17.969 4.688 23.753 857 H ALA 42 H ALA 42 14.554 9.847 28.088 858 HA ALA 42 HA ALA 42 12.633 11.595 26.700 859 HB1 ALA 42 HB1 ALA 42 12.297 10.785 29.609 860 HB2 ALA 42 HB2 ALA 42 11.382 12.052 28.769 861 HB3 ALA 42 HB3 ALA 42 11.208 10.357 28.257 862 H PHE 43 H PHE 43 13.179 13.657 26.755 863 HA PHE 43 HA PHE 43 15.390 14.600 28.532 864 HB2 PHE 43 HB2 PHE 43 15.001 15.094 25.578 865 HB3 PHE 43 HB3 PHE 43 16.274 15.779 26.594 866 HD1 PHE 43 HD1 PHE 43 17.831 14.064 27.859 867 HD2 PHE 43 HD2 PHE 43 15.341 13.031 24.477 868 HE1 PHE 43 HE1 PHE 43 19.216 12.040 27.439 869 HE2 PHE 43 HE2 PHE 43 16.734 11.025 24.063 870 HZ PHE 43 HZ PHE 43 18.685 10.528 25.548 871 HA PRO 44 HA PRO 44 11.829 17.462 29.090 872 HB2 PRO 44 HB2 PRO 44 12.534 18.398 31.585 873 HB3 PRO 44 HB3 PRO 44 11.569 16.934 31.264 874 HG2 PRO 44 HG2 PRO 44 14.527 17.123 31.850 875 HG3 PRO 44 HG3 PRO 44 13.328 15.942 32.481 876 HD2 PRO 44 HD2 PRO 44 15.011 15.359 30.447 877 HD3 PRO 44 HD3 PRO 44 13.338 14.716 30.487 878 H GLY 45 H GLY 45 11.595 19.592 28.749 879 HA2 GLY 45 HA2 GLY 45 12.109 21.819 28.478 880 HA3 GLY 45 HA3 GLY 45 13.794 21.527 28.914 881 H LEU 46 H LEU 46 13.108 19.278 26.513 882 HA LEU 46 HA LEU 46 14.199 21.034 24.379 883 HB2 LEU 46 HB2 LEU 46 13.996 18.007 24.498 884 HB3 LEU 46 HB3 LEU 46 14.738 18.947 23.205 885 HG LEU 46 HG LEU 46 15.754 18.654 26.051 886 HD11 LEU 46 HD11 LEU 46 17.618 17.526 24.987 887 HD12 LEU 46 HD12 LEU 46 16.119 16.783 24.392 888 HD13 LEU 46 HD13 LEU 46 16.997 17.922 23.371 889 HD21 LEU 46 HD21 LEU 46 16.912 20.311 23.759 890 HD22 LEU 46 HD22 LEU 46 16.292 20.948 25.311 891 HD23 LEU 46 HD23 LEU 46 17.753 19.943 25.280 892 H ALA 47 H ALA 47 13.524 20.778 22.211 893 HA ALA 47 HA ALA 47 11.082 19.304 21.564 894 HB1 ALA 47 HB1 ALA 47 10.176 21.541 21.895 895 HB2 ALA 47 HB2 ALA 47 11.441 22.254 20.866 896 HB3 ALA 47 HB3 ALA 47 10.211 21.181 20.158 897 H ILE 48 H ILE 48 10.937 19.043 19.118 898 HA ILE 48 HA ILE 48 13.554 18.301 18.039 899 HB ILE 48 HB ILE 48 10.778 18.216 16.835 900 HG12 ILE 48 HG12 ILE 48 12.351 15.750 17.631 901 HG13 ILE 48 HG13 ILE 48 11.484 16.639 18.885 902 HG21 ILE 48 HG21 ILE 48 12.401 18.294 15.022 903 HG22 ILE 48 HG22 ILE 48 13.409 17.058 15.815 904 HG23 ILE 48 HG23 ILE 48 11.813 16.642 15.163 905 HD11 ILE 48 HD11 ILE 48 10.201 15.473 16.384 906 HD12 ILE 48 HD12 ILE 48 10.082 14.856 18.043 907 HD13 ILE 48 HD13 ILE 48 9.358 16.422 17.640 908 H GLY 49 H GLY 49 14.892 19.614 16.953 909 HA2 GLY 49 HA2 GLY 49 13.984 22.330 16.182 910 HA3 GLY 49 HA3 GLY 49 15.645 21.756 16.388 911 H ARG 50 H ARG 50 15.529 19.473 14.705 912 HA ARG 50 HA ARG 50 14.883 20.397 11.954 913 HB2 ARG 50 HB2 ARG 50 17.032 21.458 12.471 914 HB3 ARG 50 HB3 ARG 50 17.709 19.923 12.992 915 HG2 ARG 50 HG2 ARG 50 17.507 19.047 10.662 916 HG3 ARG 50 HG3 ARG 50 16.850 20.608 10.144 917 HD2 ARG 50 HD2 ARG 50 18.975 21.705 10.925 918 HD3 ARG 50 HD3 ARG 50 19.588 20.128 11.436 919 HE ARG 50 HE ARG 50 20.036 19.539 9.235 920 HH11 ARG 50 HH11 ARG 50 18.255 22.562 9.159 921 HH12 ARG 50 HH12 ARG 50 18.379 22.685 7.409 922 HH21 ARG 50 HH21 ARG 50 20.226 19.810 7.039 923 HH22 ARG 50 HH22 ARG 50 19.471 21.204 6.270 924 H VAL 51 H VAL 51 14.632 18.741 10.506 925 HA VAL 51 HA VAL 51 15.913 16.141 11.155 926 HB VAL 51 HB VAL 51 13.289 16.161 9.670 927 HG11 VAL 51 HG11 VAL 51 14.797 14.235 9.332 928 HG12 VAL 51 HG12 VAL 51 14.851 13.978 11.082 929 HG13 VAL 51 HG13 VAL 51 13.324 13.769 10.200 930 HG21 VAL 51 HG21 VAL 51 12.674 16.957 11.890 931 HG22 VAL 51 HG22 VAL 51 12.205 15.266 11.705 932 HG23 VAL 51 HG23 VAL 51 13.655 15.679 12.650 933 H ASP 52 H ASP 52 17.309 15.591 9.629 934 HA ASP 52 HA ASP 52 17.177 16.919 6.941 935 HB2 ASP 52 HB2 ASP 52 18.922 17.681 8.578 936 HB3 ASP 52 HB3 ASP 52 19.658 16.083 8.480 937 H LEU 53 H LEU 53 16.075 15.334 5.876 938 HA LEU 53 HA LEU 53 16.457 12.511 6.269 939 HB2 LEU 53 HB2 LEU 53 14.988 14.036 4.075 940 HB3 LEU 53 HB3 LEU 53 14.893 12.317 4.355 941 HG LEU 53 HG LEU 53 12.928 13.290 5.138 942 HD11 LEU 53 HD11 LEU 53 12.840 12.543 7.458 943 HD12 LEU 53 HD12 LEU 53 13.810 11.444 6.466 944 HD13 LEU 53 HD13 LEU 53 14.606 12.587 7.573 945 HD21 LEU 53 HD21 LEU 53 12.631 14.952 6.784 946 HD22 LEU 53 HD22 LEU 53 14.357 15.046 7.153 947 HD23 LEU 53 HD23 LEU 53 13.752 15.621 5.582 948 H ARG 54 H ARG 54 18.271 14.710 4.420 949 HA ARG 54 HA ARG 54 19.294 12.969 2.331 950 HB2 ARG 54 HB2 ARG 54 20.773 15.180 3.810 951 HB3 ARG 54 HB3 ARG 54 21.128 14.541 2.204 952 HG2 ARG 54 HG2 ARG 54 18.969 15.488 1.365 953 HG3 ARG 54 HG3 ARG 54 18.669 16.184 2.977 954 HD2 ARG 54 HD2 ARG 54 20.998 17.275 2.766 955 HD3 ARG 54 HD3 ARG 54 20.939 16.824 1.060 956 HE ARG 54 HE ARG 54 19.370 18.509 0.669 957 HH11 ARG 54 HH11 ARG 54 19.539 18.135 4.221 958 HH12 ARG 54 HH12 ARG 54 18.945 19.785 4.403 959 HH21 ARG 54 HH21 ARG 54 18.524 20.568 1.196 960 HH22 ARG 54 HH22 ARG 54 18.409 20.994 2.903 961 H SER 55 H SER 55 19.901 13.177 5.749 962 HA SER 55 HA SER 55 22.000 11.048 5.590 963 HB2 SER 55 HB2 SER 55 22.951 13.307 6.027 964 HB3 SER 55 HB3 SER 55 21.912 13.449 7.449 965 HG SER 55 HG SER 55 24.040 11.611 6.987 966 H GLY 56 H GLY 56 19.076 12.165 7.165 967 HA2 GLY 56 HA2 GLY 56 17.571 10.899 8.430 968 HA3 GLY 56 HA3 GLY 56 18.777 9.628 8.652 969 H VAL 57 H VAL 57 19.573 12.999 9.340 970 HA VAL 57 HA VAL 57 19.905 12.316 12.221 971 HB VAL 57 HB VAL 57 20.892 14.725 10.654 972 HG11 VAL 57 HG11 VAL 57 22.288 15.139 12.673 973 HG12 VAL 57 HG12 VAL 57 20.573 15.298 13.046 974 HG13 VAL 57 HG13 VAL 57 21.441 13.834 13.533 975 HG21 VAL 57 HG21 VAL 57 22.359 12.277 11.755 976 HG22 VAL 57 HG22 VAL 57 22.068 12.629 10.043 977 HG23 VAL 57 HG23 VAL 57 23.121 13.692 10.990 978 H ILE 58 H ILE 58 18.572 12.905 13.695 979 HA ILE 58 HA ILE 58 16.664 15.191 13.376 980 HB ILE 58 HB ILE 58 16.758 12.825 15.265 981 HG12 ILE 58 HG12 ILE 58 14.461 13.560 13.425 982 HG13 ILE 58 HG13 ILE 58 15.808 12.572 12.863 983 HG21 ILE 58 HG21 ILE 58 16.019 14.706 16.592 984 HG22 ILE 58 HG22 ILE 58 14.884 15.219 15.312 985 HG23 ILE 58 HG23 ILE 58 14.618 13.718 16.226 986 HD11 ILE 58 HD11 ILE 58 13.941 11.875 15.158 987 HD12 ILE 58 HD12 ILE 58 14.017 11.128 13.554 988 HD13 ILE 58 HD13 ILE 58 15.371 10.938 14.687 989 H SER 59 H SER 59 17.299 17.056 14.343 990 HA SER 59 HA SER 59 19.297 16.943 16.581 991 HB2 SER 59 HB2 SER 59 18.823 19.246 14.686 992 HB3 SER 59 HB3 SER 59 20.019 19.163 15.987 993 HG SER 59 HG SER 59 20.975 18.659 13.982 994 H LEU 60 H LEU 60 18.670 17.631 18.525 995 HA LEU 60 HA LEU 60 16.000 18.925 18.795 996 HB2 LEU 60 HB2 LEU 60 17.733 17.775 20.986 997 HB3 LEU 60 HB3 LEU 60 16.027 18.198 21.048 998 HG LEU 60 HG LEU 60 17.282 15.854 19.551 999 HD11 LEU 60 HD11 LEU 60 15.342 16.019 21.892 1000 HD12 LEU 60 HD12 LEU 60 15.911 14.527 21.119 1001 HD13 LEU 60 HD13 LEU 60 17.043 15.569 21.991 1002 HD21 LEU 60 HD21 LEU 60 14.942 15.187 19.000 1003 HD22 LEU 60 HD22 LEU 60 14.370 16.745 19.634 1004 HD23 LEU 60 HD23 LEU 60 15.409 16.684 18.195 1005 H ILE 61 H ILE 61 15.621 20.636 20.179 1006 HA ILE 61 HA ILE 61 17.862 22.424 20.958 1007 HB ILE 61 HB ILE 61 16.632 24.390 20.086 1008 HG12 ILE 61 HG12 ILE 61 15.122 23.888 18.029 1009 HG13 ILE 61 HG13 ILE 61 14.814 22.322 18.767 1010 HG21 ILE 61 HG21 ILE 61 18.556 23.354 18.923 1011 HG22 ILE 61 HG22 ILE 61 17.431 22.422 17.912 1012 HG23 ILE 61 HG23 ILE 61 17.445 24.194 17.824 1013 HD11 ILE 61 HD11 ILE 61 13.784 23.457 20.713 1014 HD12 ILE 61 HD12 ILE 61 14.235 25.038 20.048 1015 HD13 ILE 61 HD13 ILE 61 13.055 24.027 19.211 1016 H GLU 62 H GLU 62 17.174 24.096 22.579 1017 HA GLU 62 HA GLU 62 15.280 22.923 24.486 1018 HB2 GLU 62 HB2 GLU 62 15.808 24.719 25.954 1019 HB3 GLU 62 HB3 GLU 62 17.281 23.975 25.324 1020 HG2 GLU 62 HG2 GLU 62 17.498 25.881 23.697 1021 HG3 GLU 62 HG3 GLU 62 16.104 26.651 24.474 1022 H GLU 63 H GLU 63 13.226 23.394 24.816 1023 HA GLU 63 HA GLU 63 11.919 25.559 23.223 1024 HB2 GLU 63 HB2 GLU 63 9.895 24.448 23.447 1025 HB3 GLU 63 HB3 GLU 63 11.082 23.205 23.127 1026 HG2 GLU 63 HG2 GLU 63 9.760 22.222 24.739 1027 HG3 GLU 63 HG3 GLU 63 11.160 22.761 25.651 1028 H GLN 64 H GLN 64 13.089 24.873 26.352 1029 HA GLN 64 HA GLN 64 11.600 26.918 27.820 1030 HB2 GLN 64 HB2 GLN 64 14.127 25.305 28.361 1031 HB3 GLN 64 HB3 GLN 64 13.492 26.497 29.493 1032 HG2 GLN 64 HG2 GLN 64 11.905 24.089 28.485 1033 HG3 GLN 64 HG3 GLN 64 12.842 24.096 29.964 1034 HE21 GLN 64 HE21 GLN 64 9.714 24.524 28.812 1035 HE22 GLN 64 HE22 GLN 64 9.095 25.479 30.169 1036 H ASN 65 H ASN 65 13.091 28.574 28.985 1037 HA ASN 65 HA ASN 65 14.043 30.614 28.849 1038 HB2 ASN 65 HB2 ASN 65 16.108 29.009 27.339 1039 HB3 ASN 65 HB3 ASN 65 16.400 30.529 28.179 1040 HD21 ASN 65 HD21 ASN 65 16.949 27.319 28.461 1041 HD22 ASN 65 HD22 ASN 65 16.882 27.178 30.228 1042 H ARG 66 H ARG 66 12.061 30.408 26.939 1043 HA ARG 66 HA ARG 66 12.763 31.379 24.332 1044 HB2 ARG 66 HB2 ARG 66 10.127 31.737 25.847 1045 HB3 ARG 66 HB3 ARG 66 10.387 31.931 24.107 1046 HG2 ARG 66 HG2 ARG 66 11.077 29.487 24.010 1047 HG3 ARG 66 HG3 ARG 66 10.579 29.352 25.717 1048 HD2 ARG 66 HD2 ARG 66 8.298 30.188 25.055 1049 HD3 ARG 66 HD3 ARG 66 8.824 30.124 23.362 1050 HE ARG 66 HE ARG 66 9.203 27.596 24.766 1051 HH11 ARG 66 HH11 ARG 66 7.765 25.879 24.484 1052 HH12 ARG 66 HH12 ARG 66 6.336 26.134 23.506 1053 HH21 ARG 66 HH21 ARG 66 6.843 29.463 23.002 1054 HH22 ARG 66 HH22 ARG 66 5.795 28.106 22.707 Start of MODEL 5 1 H1 GLY -3 H1 GLY -3 24.050 13.392 -3.327 2 H2 GLY -3 H2 GLY -3 25.156 14.364 -2.599 3 H3 GLY -3 H3 GLY -3 24.265 13.319 -1.709 4 HA2 GLY -3 HA2 GLY -3 26.245 12.539 -3.733 5 HA3 GLY -3 HA3 GLY -3 26.502 12.480 -1.974 6 HA PRO -2 HA PRO -2 24.622 8.406 -3.553 7 HB2 PRO -2 HB2 PRO -2 26.774 6.749 -3.232 8 HB3 PRO -2 HB3 PRO -2 26.492 7.714 -4.717 9 HG2 PRO -2 HG2 PRO -2 28.281 8.415 -2.370 10 HG3 PRO -2 HG3 PRO -2 28.688 8.449 -4.110 11 HD2 PRO -2 HD2 PRO -2 27.930 10.693 -2.780 12 HD3 PRO -2 HD3 PRO -2 27.414 10.403 -4.470 13 H GLY -1 H GLY -1 24.175 6.544 -2.231 14 HA2 GLY -1 HA2 GLY -1 23.836 5.369 -0.272 15 HA3 GLY -1 HA3 GLY -1 25.051 6.355 0.543 16 H SER 0 H SER 0 22.517 8.186 -0.963 17 HA SER 0 HA SER 0 21.429 9.155 1.539 18 HB2 SER 0 HB2 SER 0 20.408 9.428 -1.314 19 HB3 SER 0 HB3 SER 0 19.767 10.296 0.091 20 HG SER 0 HG SER 0 22.341 10.540 -1.104 21 H MET 1 H MET 1 19.106 9.143 2.069 22 HA MET 1 HA MET 1 17.712 6.588 1.498 23 HB2 MET 1 HB2 MET 1 17.006 6.384 3.781 24 HB3 MET 1 HB3 MET 1 18.755 6.437 3.689 25 HG2 MET 1 HG2 MET 1 18.537 7.846 5.431 26 HG3 MET 1 HG3 MET 1 18.359 9.053 4.170 27 HE1 MET 1 HE1 MET 1 15.047 7.385 6.969 28 HE2 MET 1 HE2 MET 1 15.961 6.321 5.873 29 HE3 MET 1 HE3 MET 1 16.803 7.171 7.182 30 H CYS 2 H CYS 2 15.368 6.748 1.828 31 HA CYS 2 HA CYS 2 14.574 8.955 0.159 32 HB2 CYS 2 HB2 CYS 2 14.030 6.609 -0.180 33 HB3 CYS 2 HB3 CYS 2 13.006 6.626 1.266 34 HG CYS 2 HG CYS 2 11.532 6.642 -0.931 35 H MET 3 H MET 3 12.971 10.402 0.329 36 HA MET 3 HA MET 3 12.919 11.942 2.678 37 HB2 MET 3 HB2 MET 3 11.241 12.088 0.148 38 HB3 MET 3 HB3 MET 3 11.240 13.296 1.405 39 HG2 MET 3 HG2 MET 3 12.719 14.119 -0.232 40 HG3 MET 3 HG3 MET 3 13.712 13.597 1.111 41 HE1 MET 3 HE1 MET 3 12.165 11.110 -1.702 42 HE2 MET 3 HE2 MET 3 12.293 12.762 -2.343 43 HE3 MET 3 HE3 MET 3 13.343 11.465 -2.983 44 H ALA 4 H ALA 4 11.309 12.658 4.008 45 HA ALA 4 HA ALA 4 9.036 10.859 4.603 46 HB1 ALA 4 HB1 ALA 4 10.030 13.381 6.000 47 HB2 ALA 4 HB2 ALA 4 8.823 12.246 6.620 48 HB3 ALA 4 HB3 ALA 4 10.489 11.711 6.430 49 H LYS 5 H LYS 5 7.025 12.154 5.294 50 HA LYS 5 HA LYS 5 6.392 14.485 3.527 51 HB2 LYS 5 HB2 LYS 5 4.163 13.723 3.176 52 HB3 LYS 5 HB3 LYS 5 5.256 12.406 2.745 53 HG2 LYS 5 HG2 LYS 5 4.802 11.533 5.197 54 HG3 LYS 5 HG3 LYS 5 3.469 12.682 5.193 55 HD2 LYS 5 HD2 LYS 5 2.513 10.620 4.570 56 HD3 LYS 5 HD3 LYS 5 2.662 11.505 3.042 57 HE2 LYS 5 HE2 LYS 5 4.805 10.277 2.594 58 HE3 LYS 5 HE3 LYS 5 4.625 9.418 4.132 59 HZ1 LYS 5 HZ1 LYS 5 2.731 9.230 1.854 60 HZ2 LYS 5 HZ2 LYS 5 3.805 8.083 2.282 61 HZ3 LYS 5 HZ3 LYS 5 2.565 8.445 3.272 62 H VAL 6 H VAL 6 5.218 16.135 4.458 63 HA VAL 6 HA VAL 6 5.121 16.190 7.449 64 HB VAL 6 HB VAL 6 5.127 18.467 5.455 65 HG11 VAL 6 HG11 VAL 6 5.196 18.521 8.490 66 HG12 VAL 6 HG12 VAL 6 5.518 19.917 7.432 67 HG13 VAL 6 HG13 VAL 6 3.918 19.188 7.450 68 HG21 VAL 6 HG21 VAL 6 7.265 17.576 7.415 69 HG22 VAL 6 HG22 VAL 6 7.317 17.311 5.658 70 HG23 VAL 6 HG23 VAL 6 7.370 18.952 6.300 71 H VAL 7 H VAL 7 3.246 16.605 8.533 72 HA VAL 7 HA VAL 7 0.893 17.627 7.036 73 HB VAL 7 HB VAL 7 0.480 15.268 7.405 74 HG11 VAL 7 HG11 VAL 7 1.785 14.855 9.463 75 HG12 VAL 7 HG12 VAL 7 0.639 15.847 10.397 76 HG13 VAL 7 HG13 VAL 7 0.112 14.328 9.636 77 HG21 VAL 7 HG21 VAL 7 -1.709 15.432 8.379 78 HG22 VAL 7 HG22 VAL 7 -1.295 16.938 9.221 79 HG23 VAL 7 HG23 VAL 7 -1.407 16.903 7.449 80 H LEU 8 H LEU 8 -0.305 19.176 8.019 81 HA LEU 8 HA LEU 8 0.205 19.957 10.809 82 HB2 LEU 8 HB2 LEU 8 0.788 22.230 10.298 83 HB3 LEU 8 HB3 LEU 8 1.887 21.158 9.475 84 HG LEU 8 HG LEU 8 0.176 21.531 7.418 85 HD11 LEU 8 HD11 LEU 8 -1.393 23.029 8.585 86 HD12 LEU 8 HD12 LEU 8 -0.055 24.092 9.076 87 HD13 LEU 8 HD13 LEU 8 -0.508 23.948 7.371 88 HD21 LEU 8 HD21 LEU 8 2.579 21.998 7.376 89 HD22 LEU 8 HD22 LEU 8 1.655 23.296 6.613 90 HD23 LEU 8 HD23 LEU 8 2.319 23.523 8.242 91 H THR 9 H THR 9 -1.332 21.560 11.601 92 HA THR 9 HA THR 9 -3.969 21.470 10.167 93 HB THR 9 HB THR 9 -3.612 21.372 13.183 94 HG1 THR 9 HG1 THR 9 -2.894 19.442 12.273 95 HG21 THR 9 HG21 THR 9 -5.998 20.634 13.079 96 HG22 THR 9 HG22 THR 9 -5.780 22.289 12.492 97 HG23 THR 9 HG23 THR 9 -6.007 20.963 11.331 98 H LYS 10 H LYS 10 -4.888 23.345 9.779 99 HA LYS 10 HA LYS 10 -3.694 25.903 10.600 100 HB2 LYS 10 HB2 LYS 10 -6.151 25.212 8.943 101 HB3 LYS 10 HB3 LYS 10 -5.470 26.831 9.121 102 HG2 LYS 10 HG2 LYS 10 -3.323 26.015 8.136 103 HG3 LYS 10 HG3 LYS 10 -4.062 24.431 7.865 104 HD2 LYS 10 HD2 LYS 10 -5.040 27.050 6.617 105 HD3 LYS 10 HD3 LYS 10 -3.966 25.886 5.866 106 HE2 LYS 10 HE2 LYS 10 -5.902 25.179 4.934 107 HE3 LYS 10 HE3 LYS 10 -5.894 24.142 6.362 108 HZ1 LYS 10 HZ1 LYS 10 -7.368 26.722 6.134 109 HZ2 LYS 10 HZ2 LYS 10 -8.053 25.268 5.957 110 HZ3 LYS 10 HZ3 LYS 10 -7.480 25.704 7.412 111 H ALA 11 H ALA 11 -5.124 27.699 11.323 112 HA ALA 11 HA ALA 11 -6.187 27.170 13.901 113 HB1 ALA 11 HB1 ALA 11 -6.787 29.563 13.850 114 HB2 ALA 11 HB2 ALA 11 -5.157 29.296 13.195 115 HB3 ALA 11 HB3 ALA 11 -6.525 29.618 12.103 116 H ASP 12 H ASP 12 -7.860 27.137 10.793 117 HA ASP 12 HA ASP 12 -10.544 27.172 12.002 118 HB2 ASP 12 HB2 ASP 12 -11.360 27.056 9.766 119 HB3 ASP 12 HB3 ASP 12 -10.157 28.317 9.890 120 H GLY 13 H GLY 13 -8.220 24.842 11.931 121 HA2 GLY 13 HA2 GLY 13 -8.385 22.618 12.563 122 HA3 GLY 13 HA3 GLY 13 -10.125 22.634 12.256 123 H GLY 14 H GLY 14 -8.686 23.859 9.448 124 HA2 GLY 14 HA2 GLY 14 -8.985 21.326 7.974 125 HA3 GLY 14 HA3 GLY 14 -8.560 22.899 7.307 126 H ARG 15 H ARG 15 -7.328 20.076 7.120 127 HA ARG 15 HA ARG 15 -4.582 20.653 8.141 128 HB2 ARG 15 HB2 ARG 15 -5.755 18.024 7.176 129 HB3 ARG 15 HB3 ARG 15 -4.100 18.284 7.761 130 HG2 ARG 15 HG2 ARG 15 -5.185 19.231 9.907 131 HG3 ARG 15 HG3 ARG 15 -6.685 18.494 9.355 132 HD2 ARG 15 HD2 ARG 15 -4.038 17.066 9.852 133 HD3 ARG 15 HD3 ARG 15 -5.427 17.080 10.949 134 HE ARG 15 HE ARG 15 -6.385 16.105 8.494 135 HH11 ARG 15 HH11 ARG 15 -4.087 15.030 10.902 136 HH12 ARG 15 HH12 ARG 15 -4.325 13.342 10.520 137 HH21 ARG 15 HH21 ARG 15 -6.635 13.941 8.036 138 HH22 ARG 15 HH22 ARG 15 -5.749 12.749 8.944 139 H VAL 16 H VAL 16 -2.762 20.327 6.976 140 HA VAL 16 HA VAL 16 -2.901 20.451 3.992 141 HB VAL 16 HB VAL 16 -1.333 22.333 5.793 142 HG11 VAL 16 HG11 VAL 16 0.042 21.855 3.836 143 HG12 VAL 16 HG12 VAL 16 -1.336 22.148 2.757 144 HG13 VAL 16 HG13 VAL 16 -0.633 23.479 3.708 145 HG21 VAL 16 HG21 VAL 16 -3.612 22.889 3.853 146 HG22 VAL 16 HG22 VAL 16 -3.669 23.013 5.617 147 HG23 VAL 16 HG23 VAL 16 -2.649 24.123 4.712 148 H GLU 17 H GLU 17 -1.084 19.581 2.938 149 HA GLU 17 HA GLU 17 0.917 18.190 4.624 150 HB2 GLU 17 HB2 GLU 17 -0.709 16.947 2.374 151 HB3 GLU 17 HB3 GLU 17 0.718 16.202 3.116 152 HG2 GLU 17 HG2 GLU 17 -0.403 16.117 5.297 153 HG3 GLU 17 HG3 GLU 17 -1.823 16.917 4.628 154 H ILE 18 H ILE 18 2.895 17.695 3.659 155 HA ILE 18 HA ILE 18 3.495 18.832 0.969 156 HB ILE 18 HB ILE 18 5.343 19.224 3.347 157 HG12 ILE 18 HG12 ILE 18 4.795 21.764 2.629 158 HG13 ILE 18 HG13 ILE 18 3.235 21.064 2.233 159 HG21 ILE 18 HG21 ILE 18 6.473 18.980 1.165 160 HG22 ILE 18 HG22 ILE 18 5.476 20.295 0.502 161 HG23 ILE 18 HG23 ILE 18 6.625 20.609 1.813 162 HD11 ILE 18 HD11 ILE 18 4.694 21.041 4.914 163 HD12 ILE 18 HD12 ILE 18 3.217 21.922 4.507 164 HD13 ILE 18 HD13 ILE 18 3.169 20.161 4.634 165 H GLY 19 H GLY 19 4.165 17.183 -0.249 166 HA2 GLY 19 HA2 GLY 19 5.215 14.702 0.923 167 HA3 GLY 19 HA3 GLY 19 4.826 14.983 -0.763 168 H ASP 20 H ASP 20 7.128 13.664 0.269 169 HA ASP 20 HA ASP 20 9.355 13.466 -0.061 170 HB2 ASP 20 HB2 ASP 20 8.848 15.162 -2.509 171 HB3 ASP 20 HB3 ASP 20 10.137 13.976 -2.264 172 H VAL 21 H VAL 21 9.194 15.203 1.963 173 HA VAL 21 HA VAL 21 10.750 17.609 1.377 174 HB VAL 21 HB VAL 21 10.771 18.002 3.755 175 HG11 VAL 21 HG11 VAL 21 8.964 18.831 2.299 176 HG12 VAL 21 HG12 VAL 21 8.008 17.379 2.652 177 HG13 VAL 21 HG13 VAL 21 8.387 18.517 3.954 178 HG21 VAL 21 HG21 VAL 21 8.931 15.618 4.118 179 HG22 VAL 21 HG22 VAL 21 10.640 15.648 4.629 180 HG23 VAL 21 HG23 VAL 21 9.496 16.772 5.345 181 H LEU 22 H LEU 22 12.838 17.905 1.400 182 HA LEU 22 HA LEU 22 14.716 15.698 1.978 183 HB2 LEU 22 HB2 LEU 22 15.109 18.616 1.169 184 HB3 LEU 22 HB3 LEU 22 16.423 17.459 1.364 185 HG LEU 22 HG LEU 22 14.179 17.154 -0.674 186 HD11 LEU 22 HD11 LEU 22 15.870 17.870 -2.325 187 HD12 LEU 22 HD12 LEU 22 15.559 19.142 -1.139 188 HD13 LEU 22 HD13 LEU 22 17.039 18.160 -1.025 189 HD21 LEU 22 HD21 LEU 22 15.309 15.019 -0.056 190 HD22 LEU 22 HD22 LEU 22 15.664 15.508 -1.714 191 HD23 LEU 22 HD23 LEU 22 16.878 15.750 -0.436 192 H GLU 23 H GLU 23 13.496 18.660 3.480 193 HA GLU 23 HA GLU 23 14.787 18.050 6.040 194 HB2 GLU 23 HB2 GLU 23 16.573 19.177 4.833 195 HB3 GLU 23 HB3 GLU 23 15.517 20.519 4.389 196 HG2 GLU 23 HG2 GLU 23 15.365 21.290 6.670 197 HG3 GLU 23 HG3 GLU 23 16.154 19.837 7.284 198 H VAL 24 H VAL 24 13.851 19.033 7.791 199 HA VAL 24 HA VAL 24 11.890 21.239 7.425 200 HB VAL 24 HB VAL 24 11.234 18.887 9.224 201 HG11 VAL 24 HG11 VAL 24 8.963 19.837 9.154 202 HG12 VAL 24 HG12 VAL 24 10.133 20.972 9.831 203 HG13 VAL 24 HG13 VAL 24 9.562 21.183 8.168 204 HG21 VAL 24 HG21 VAL 24 10.183 19.264 6.401 205 HG22 VAL 24 HG22 VAL 24 11.168 17.920 7.009 206 HG23 VAL 24 HG23 VAL 24 9.538 18.149 7.620 207 H ARG 25 H ARG 25 12.118 22.777 9.049 208 HA ARG 25 HA ARG 25 13.527 22.042 11.564 209 HB2 ARG 25 HB2 ARG 25 14.436 24.652 10.501 210 HB3 ARG 25 HB3 ARG 25 15.266 23.448 11.453 211 HG2 ARG 25 HG2 ARG 25 16.514 23.351 9.548 212 HG3 ARG 25 HG3 ARG 25 15.358 22.094 9.160 213 HD2 ARG 25 HD2 ARG 25 15.480 23.442 7.202 214 HD3 ARG 25 HD3 ARG 25 13.989 23.950 7.973 215 HE ARG 25 HE ARG 25 14.986 26.027 8.555 216 HH11 ARG 25 HH11 ARG 25 17.541 23.984 7.190 217 HH12 ARG 25 HH12 ARG 25 18.567 25.376 6.957 218 HH21 ARG 25 HH21 ARG 25 16.303 27.587 8.357 219 HH22 ARG 25 HH22 ARG 25 17.907 27.417 7.630 220 H ALA 26 H ALA 26 12.994 23.129 13.332 221 HA ALA 26 HA ALA 26 10.826 25.142 13.276 222 HB1 ALA 26 HB1 ALA 26 10.947 24.968 15.720 223 HB2 ALA 26 HB2 ALA 26 10.719 23.377 14.977 224 HB3 ALA 26 HB3 ALA 26 12.318 23.845 15.598 225 H GLU 27 H GLU 27 11.171 27.249 13.552 226 HA GLU 27 HA GLU 27 13.840 28.406 14.177 227 HB2 GLU 27 HB2 GLU 27 12.224 28.636 11.626 228 HB3 GLU 27 HB3 GLU 27 13.116 30.049 12.186 229 HG2 GLU 27 HG2 GLU 27 15.196 28.813 12.278 230 HG3 GLU 27 HG3 GLU 27 14.384 27.311 11.794 231 H GLY 28 H GLY 28 13.365 30.988 13.986 232 HA2 GLY 28 HA2 GLY 28 12.190 31.628 16.441 233 HA3 GLY 28 HA3 GLY 28 12.686 32.769 15.191 234 H GLY 29 H GLY 29 10.055 30.760 16.293 235 HA2 GLY 29 HA2 GLY 29 7.793 31.288 16.596 236 HA3 GLY 29 HA3 GLY 29 7.992 32.763 15.647 237 H ALA 30 H ALA 30 9.182 29.857 14.128 238 HA ALA 30 HA ALA 30 6.700 29.202 12.721 239 HB1 ALA 30 HB1 ALA 30 9.042 30.472 11.226 240 HB2 ALA 30 HB2 ALA 30 7.543 29.865 10.500 241 HB3 ALA 30 HB3 ALA 30 7.504 31.287 11.549 242 H VAL 31 H VAL 31 6.902 27.429 11.229 243 HA VAL 31 HA VAL 31 9.458 25.842 11.374 244 HB VAL 31 HB VAL 31 6.656 24.969 10.669 245 HG11 VAL 31 HG11 VAL 31 8.031 23.850 9.038 246 HG12 VAL 31 HG12 VAL 31 9.263 23.444 10.268 247 HG13 VAL 31 HG13 VAL 31 7.669 22.686 10.303 248 HG21 VAL 31 HG21 VAL 31 6.982 23.407 12.516 249 HG22 VAL 31 HG22 VAL 31 8.686 23.893 12.683 250 HG23 VAL 31 HG23 VAL 31 7.386 25.034 13.073 251 H ARG 32 H ARG 32 10.577 25.363 9.566 252 HA ARG 32 HA ARG 32 9.588 26.298 6.904 253 HB2 ARG 32 HB2 ARG 32 12.308 26.808 8.147 254 HB3 ARG 32 HB3 ARG 32 12.081 26.745 6.392 255 HG2 ARG 32 HG2 ARG 32 10.472 28.568 6.446 256 HG3 ARG 32 HG3 ARG 32 10.497 28.600 8.215 257 HD2 ARG 32 HD2 ARG 32 11.834 30.424 7.330 258 HD3 ARG 32 HD3 ARG 32 12.840 29.263 8.198 259 HE ARG 32 HE ARG 32 12.681 28.965 5.244 260 HH11 ARG 32 HH11 ARG 32 14.703 29.977 7.969 261 HH12 ARG 32 HH12 ARG 32 16.069 30.253 6.906 262 HH21 ARG 32 HH21 ARG 32 14.500 29.154 4.059 263 HH22 ARG 32 HH22 ARG 32 15.981 29.720 4.794 264 H VAL 33 H VAL 33 10.162 25.089 5.150 265 HA VAL 33 HA VAL 33 11.529 22.503 5.561 266 HB VAL 33 HB VAL 33 9.766 21.321 5.888 267 HG11 VAL 33 HG11 VAL 33 7.938 23.670 5.348 268 HG12 VAL 33 HG12 VAL 33 7.415 22.087 5.971 269 HG13 VAL 33 HG13 VAL 33 8.511 23.064 6.926 270 HG21 VAL 33 HG21 VAL 33 8.091 20.814 4.203 271 HG22 VAL 33 HG22 VAL 33 8.623 22.206 3.235 272 HG23 VAL 33 HG23 VAL 33 9.717 20.826 3.527 273 H THR 34 H THR 34 12.227 21.437 3.745 274 HA THR 34 HA THR 34 12.075 22.953 1.162 275 HB THR 34 HB THR 34 14.521 21.557 2.308 276 HG1 THR 34 HG1 THR 34 14.137 23.541 3.273 277 HG21 THR 34 HG21 THR 34 15.693 22.619 0.364 278 HG22 THR 34 HG22 THR 34 14.534 21.396 -0.149 279 HG23 THR 34 HG23 THR 34 14.113 23.112 -0.292 280 H THR 35 H THR 35 11.478 21.798 -0.567 281 HA THR 35 HA THR 35 10.961 18.893 -0.240 282 HB THR 35 HB THR 35 9.558 19.071 -2.173 283 HG1 THR 35 HG1 THR 35 9.273 21.158 -3.125 284 HG21 THR 35 HG21 THR 35 7.845 20.565 -1.360 285 HG22 THR 35 HG22 THR 35 8.655 19.817 0.031 286 HG23 THR 35 HG23 THR 35 9.029 21.497 -0.413 287 H LEU 36 H LEU 36 11.289 17.393 -1.936 288 HA LEU 36 HA LEU 36 13.737 17.055 -3.183 289 HB2 LEU 36 HB2 LEU 36 11.944 15.374 -2.874 290 HB3 LEU 36 HB3 LEU 36 10.913 16.231 -4.015 291 HG LEU 36 HG LEU 36 12.603 15.703 -5.847 292 HD11 LEU 36 HD11 LEU 36 14.160 13.806 -5.314 293 HD12 LEU 36 HD12 LEU 36 14.584 15.316 -4.462 294 HD13 LEU 36 HD13 LEU 36 13.760 14.007 -3.591 295 HD21 LEU 36 HD21 LEU 36 10.553 14.393 -5.528 296 HD22 LEU 36 HD22 LEU 36 11.897 13.386 -6.079 297 HD23 LEU 36 HD23 LEU 36 11.386 13.334 -4.375 298 H PHE 37 H PHE 37 10.997 18.945 -4.297 299 HA PHE 37 HA PHE 37 11.995 19.403 -6.998 300 HB2 PHE 37 HB2 PHE 37 9.670 20.766 -5.615 301 HB3 PHE 37 HB3 PHE 37 9.912 20.506 -7.338 302 HD1 PHE 37 HD1 PHE 37 10.144 17.920 -8.056 303 HD2 PHE 37 HD2 PHE 37 8.262 19.304 -4.429 304 HE1 PHE 37 HE1 PHE 37 9.000 15.725 -7.812 305 HE2 PHE 37 HE2 PHE 37 7.130 17.102 -4.185 306 HZ PHE 37 HZ PHE 37 7.486 15.318 -5.870 307 H ASP 38 H ASP 38 13.202 20.555 -4.270 308 HA ASP 38 HA ASP 38 14.385 22.272 -3.553 309 HB2 ASP 38 HB2 ASP 38 15.535 21.825 -5.736 310 HB3 ASP 38 HB3 ASP 38 14.641 23.180 -6.435 311 H GLU 39 H GLU 39 11.543 22.599 -3.535 312 HA GLU 39 HA GLU 39 11.239 25.567 -3.617 313 HB2 GLU 39 HB2 GLU 39 9.519 24.323 -4.823 314 HB3 GLU 39 HB3 GLU 39 9.182 23.351 -3.404 315 HG2 GLU 39 HG2 GLU 39 7.438 24.933 -3.634 316 HG3 GLU 39 HG3 GLU 39 8.359 25.379 -2.210 317 H GLU 40 H GLU 40 10.821 26.738 -1.787 318 HA GLU 40 HA GLU 40 11.065 25.330 0.842 319 HB2 GLU 40 HB2 GLU 40 11.542 28.228 0.102 320 HB3 GLU 40 HB3 GLU 40 11.346 27.653 1.760 321 HG2 GLU 40 HG2 GLU 40 13.238 26.040 1.403 322 HG3 GLU 40 HG3 GLU 40 13.510 26.747 -0.180 323 H HIS 41 H HIS 41 9.587 25.482 2.364 324 HA HIS 41 HA HIS 41 7.135 27.140 1.966 325 HB2 HIS 41 HB2 HIS 41 7.229 24.345 3.158 326 HB3 HIS 41 HB3 HIS 41 5.819 25.398 3.090 327 HD2 HIS 41 HD2 HIS 41 7.599 22.776 1.117 328 HE1 HIS 41 HE1 HIS 41 4.882 24.541 -1.648 329 HE2 HIS 41 HE2 HIS 41 6.463 22.572 -1.241 330 H ALA 42 H ALA 42 6.240 28.023 3.863 331 HA ALA 42 HA ALA 42 7.792 27.825 6.378 332 HB1 ALA 42 HB1 ALA 42 7.977 30.270 6.530 333 HB2 ALA 42 HB2 ALA 42 8.810 29.666 5.072 334 HB3 ALA 42 HB3 ALA 42 7.219 30.447 4.931 335 H PHE 43 H PHE 43 6.590 28.000 8.160 336 HA PHE 43 HA PHE 43 3.683 28.672 7.976 337 HB2 PHE 43 HB2 PHE 43 4.867 26.160 9.177 338 HB3 PHE 43 HB3 PHE 43 3.164 26.621 9.134 339 HD1 PHE 43 HD1 PHE 43 2.091 27.012 6.783 340 HD2 PHE 43 HD2 PHE 43 5.746 24.815 7.436 341 HE1 PHE 43 HE1 PHE 43 1.811 25.889 4.581 342 HE2 PHE 43 HE2 PHE 43 5.463 23.693 5.228 343 HZ PHE 43 HZ PHE 43 3.505 24.253 3.801 344 HA PRO 44 HA PRO 44 5.337 30.802 11.694 345 HB2 PRO 44 HB2 PRO 44 2.881 32.432 11.092 346 HB3 PRO 44 HB3 PRO 44 4.501 32.980 11.628 347 HG2 PRO 44 HG2 PRO 44 3.785 33.222 9.031 348 HG3 PRO 44 HG3 PRO 44 5.421 32.616 9.442 349 HD2 PRO 44 HD2 PRO 44 2.963 31.009 8.678 350 HD3 PRO 44 HD3 PRO 44 4.649 30.873 8.077 351 H GLY 45 H GLY 45 4.695 30.698 13.807 352 HA2 GLY 45 HA2 GLY 45 3.397 30.274 15.678 353 HA3 GLY 45 HA3 GLY 45 1.984 30.027 14.665 354 H LEU 46 H LEU 46 4.441 28.013 13.497 355 HA LEU 46 HA LEU 46 3.435 25.693 15.070 356 HB2 LEU 46 HB2 LEU 46 4.759 25.714 12.343 357 HB3 LEU 46 HB3 LEU 46 4.165 24.295 13.211 358 HG LEU 46 HG LEU 46 2.501 26.550 12.022 359 HD11 LEU 46 HD11 LEU 46 1.668 24.813 10.559 360 HD12 LEU 46 HD12 LEU 46 3.438 24.727 10.519 361 HD13 LEU 46 HD13 LEU 46 2.526 23.550 11.474 362 HD21 LEU 46 HD21 LEU 46 0.521 25.179 12.677 363 HD22 LEU 46 HD22 LEU 46 1.575 24.128 13.633 364 HD23 LEU 46 HD23 LEU 46 1.371 25.841 14.083 365 H ALA 47 H ALA 47 4.814 23.969 15.491 366 HA ALA 47 HA ALA 47 7.732 24.253 15.273 367 HB1 ALA 47 HB1 ALA 47 6.317 23.592 17.900 368 HB2 ALA 47 HB2 ALA 47 8.066 23.466 17.609 369 HB3 ALA 47 HB3 ALA 47 7.279 25.050 17.572 370 H ILE 48 H ILE 48 8.777 22.049 15.484 371 HA ILE 48 HA ILE 48 7.157 20.026 14.147 372 HB ILE 48 HB ILE 48 10.000 19.845 15.186 373 HG12 ILE 48 HG12 ILE 48 9.035 20.224 12.316 374 HG13 ILE 48 HG13 ILE 48 9.559 21.561 13.330 375 HG21 ILE 48 HG21 ILE 48 8.963 17.598 14.970 376 HG22 ILE 48 HG22 ILE 48 8.406 17.997 13.334 377 HG23 ILE 48 HG23 ILE 48 10.132 17.837 13.680 378 HD11 ILE 48 HD11 ILE 48 11.792 20.464 13.602 379 HD12 ILE 48 HD12 ILE 48 11.281 19.260 12.398 380 HD13 ILE 48 HD13 ILE 48 11.387 20.956 11.943 381 H GLY 49 H GLY 49 5.924 18.519 15.078 382 HA2 GLY 49 HA2 GLY 49 5.882 18.292 18.030 383 HA3 GLY 49 HA3 GLY 49 4.618 17.818 16.896 384 H ARG 50 H ARG 50 5.893 16.102 15.143 385 HA ARG 50 HA ARG 50 7.248 13.998 16.747 386 HB2 ARG 50 HB2 ARG 50 4.603 13.492 15.309 387 HB3 ARG 50 HB3 ARG 50 5.655 12.266 16.014 388 HG2 ARG 50 HG2 ARG 50 5.321 13.355 18.264 389 HG3 ARG 50 HG3 ARG 50 4.121 14.416 17.519 390 HD2 ARG 50 HD2 ARG 50 2.755 12.515 16.873 391 HD3 ARG 50 HD3 ARG 50 3.989 11.380 17.460 392 HE ARG 50 HE ARG 50 3.323 12.985 19.671 393 HH11 ARG 50 HH11 ARG 50 1.528 10.771 17.624 394 HH12 ARG 50 HH12 ARG 50 0.421 10.364 18.914 395 HH21 ARG 50 HH21 ARG 50 1.995 12.322 21.262 396 HH22 ARG 50 HH22 ARG 50 0.635 11.272 20.907 397 H VAL 51 H VAL 51 8.218 12.381 15.616 398 HA VAL 51 HA VAL 51 8.199 12.416 12.648 399 HB VAL 51 HB VAL 51 10.788 12.011 14.190 400 HG11 VAL 51 HG11 VAL 51 10.614 10.894 11.988 401 HG12 VAL 51 HG12 VAL 51 10.170 12.444 11.239 402 HG13 VAL 51 HG13 VAL 51 11.783 12.220 11.947 403 HG21 VAL 51 HG21 VAL 51 10.212 14.366 14.471 404 HG22 VAL 51 HG22 VAL 51 11.535 14.192 13.336 405 HG23 VAL 51 HG23 VAL 51 9.899 14.529 12.732 406 H ASP 52 H ASP 52 7.411 10.538 12.067 407 HA ASP 52 HA ASP 52 7.778 8.112 13.763 408 HB2 ASP 52 HB2 ASP 52 5.799 8.703 11.528 409 HB3 ASP 52 HB3 ASP 52 5.868 7.226 12.496 410 H LEU 53 H LEU 53 9.892 7.476 13.081 411 HA LEU 53 HA LEU 53 10.662 7.360 10.309 412 HB2 LEU 53 HB2 LEU 53 11.858 5.890 12.691 413 HB3 LEU 53 HB3 LEU 53 12.569 6.027 11.105 414 HG LEU 53 HG LEU 53 13.744 7.474 12.480 415 HD11 LEU 53 HD11 LEU 53 13.445 9.676 11.448 416 HD12 LEU 53 HD12 LEU 53 13.272 8.375 10.260 417 HD13 LEU 53 HD13 LEU 53 11.833 9.212 10.885 418 HD21 LEU 53 HD21 LEU 53 12.942 9.222 13.863 419 HD22 LEU 53 HD22 LEU 53 11.274 8.992 13.349 420 HD23 LEU 53 HD23 LEU 53 12.094 7.748 14.323 421 H ARG 54 H ARG 54 8.946 5.122 12.346 422 HA ARG 54 HA ARG 54 9.036 2.794 10.635 423 HB2 ARG 54 HB2 ARG 54 6.960 3.775 12.655 424 HB3 ARG 54 HB3 ARG 54 6.908 2.196 11.877 425 HG2 ARG 54 HG2 ARG 54 9.153 1.662 12.806 426 HG3 ARG 54 HG3 ARG 54 9.148 3.188 13.693 427 HD2 ARG 54 HD2 ARG 54 7.070 0.979 13.975 428 HD3 ARG 54 HD3 ARG 54 8.470 1.178 15.026 429 HE ARG 54 HE ARG 54 7.129 3.644 15.122 430 HH11 ARG 54 HH11 ARG 54 6.350 0.343 16.012 431 HH12 ARG 54 HH12 ARG 54 5.239 0.851 17.256 432 HH21 ARG 54 HH21 ARG 54 5.690 4.227 16.751 433 HH22 ARG 54 HH22 ARG 54 4.889 2.963 17.646 434 H SER 55 H SER 55 7.357 5.796 10.201 435 HA SER 55 HA SER 55 5.648 4.602 8.028 436 HB2 SER 55 HB2 SER 55 5.015 6.981 9.817 437 HB3 SER 55 HB3 SER 55 4.008 6.327 8.521 438 HG SER 55 HG SER 55 4.748 5.053 10.976 439 H GLY 56 H GLY 56 8.043 7.043 8.702 440 HA2 GLY 56 HA2 GLY 56 9.091 8.548 7.267 441 HA3 GLY 56 HA3 GLY 56 8.093 7.997 5.927 442 H VAL 57 H VAL 57 6.885 9.229 9.053 443 HA VAL 57 HA VAL 57 5.596 11.530 7.606 444 HB VAL 57 HB VAL 57 4.375 9.843 9.798 445 HG11 VAL 57 HG11 VAL 57 3.283 12.251 8.278 446 HG12 VAL 57 HG12 VAL 57 2.334 11.185 9.336 447 HG13 VAL 57 HG13 VAL 57 3.628 12.170 10.017 448 HG21 VAL 57 HG21 VAL 57 2.716 9.242 8.055 449 HG22 VAL 57 HG22 VAL 57 3.648 10.144 6.851 450 HG23 VAL 57 HG23 VAL 57 4.333 8.696 7.606 451 H ILE 58 H ILE 58 5.895 13.454 8.343 452 HA ILE 58 HA ILE 58 6.909 13.968 11.110 453 HB ILE 58 HB ILE 58 7.194 15.499 8.514 454 HG12 ILE 58 HG12 ILE 58 9.308 14.525 10.486 455 HG13 ILE 58 HG13 ILE 58 8.805 13.618 9.063 456 HG21 ILE 58 HG21 ILE 58 6.640 17.171 10.238 457 HG22 ILE 58 HG22 ILE 58 7.878 16.486 11.321 458 HG23 ILE 58 HG23 ILE 58 8.336 17.306 9.816 459 HD11 ILE 58 HD11 ILE 58 9.499 15.549 7.620 460 HD12 ILE 58 HD12 ILE 58 10.224 16.296 9.076 461 HD13 ILE 58 HD13 ILE 58 10.808 14.739 8.506 462 H SER 59 H SER 59 5.622 15.160 12.452 463 HA SER 59 HA SER 59 3.122 16.372 11.326 464 HB2 SER 59 HB2 SER 59 2.582 14.285 12.486 465 HB3 SER 59 HB3 SER 59 3.387 14.887 13.947 466 HG SER 59 HG SER 59 1.102 15.226 13.967 467 H LEU 60 H LEU 60 2.855 18.442 11.744 468 HA LEU 60 HA LEU 60 4.614 19.803 13.728 469 HB2 LEU 60 HB2 LEU 60 2.825 21.086 11.659 470 HB3 LEU 60 HB3 LEU 60 4.101 21.848 12.608 471 HG LEU 60 HG LEU 60 4.440 19.851 10.340 472 HD11 LEU 60 HD11 LEU 60 5.280 22.761 10.626 473 HD12 LEU 60 HD12 LEU 60 5.579 21.709 9.230 474 HD13 LEU 60 HD13 LEU 60 3.930 22.163 9.653 475 HD21 LEU 60 HD21 LEU 60 6.888 20.222 10.585 476 HD22 LEU 60 HD22 LEU 60 6.582 21.137 12.082 477 HD23 LEU 60 HD23 LEU 60 6.217 19.405 11.991 478 H ILE 61 H ILE 61 3.827 21.271 15.212 479 HA ILE 61 HA ILE 61 0.942 21.220 15.927 480 HB ILE 61 HB ILE 61 1.535 20.954 18.327 481 HG12 ILE 61 HG12 ILE 61 3.744 19.657 18.754 482 HG13 ILE 61 HG13 ILE 61 4.350 20.404 17.282 483 HG21 ILE 61 HG21 ILE 61 1.723 18.551 18.269 484 HG22 ILE 61 HG22 ILE 61 0.688 19.094 16.935 485 HG23 ILE 61 HG23 ILE 61 2.362 18.598 16.618 486 HD11 ILE 61 HD11 ILE 61 3.317 21.881 19.747 487 HD12 ILE 61 HD12 ILE 61 5.016 21.595 19.345 488 HD13 ILE 61 HD13 ILE 61 4.047 22.645 18.313 489 H GLU 62 H GLU 62 0.323 23.004 17.432 490 HA GLU 62 HA GLU 62 1.537 25.495 16.538 491 HB2 GLU 62 HB2 GLU 62 -0.577 25.002 18.660 492 HB3 GLU 62 HB3 GLU 62 -0.056 26.581 18.065 493 HG2 GLU 62 HG2 GLU 62 -0.735 25.898 15.751 494 HG3 GLU 62 HG3 GLU 62 -1.383 24.394 16.408 495 H GLU 63 H GLU 63 2.954 26.836 17.528 496 HA GLU 63 HA GLU 63 4.649 25.700 19.592 497 HB2 GLU 63 HB2 GLU 63 6.117 27.504 19.151 498 HB3 GLU 63 HB3 GLU 63 5.444 26.951 17.631 499 HG2 GLU 63 HG2 GLU 63 5.269 29.178 17.264 500 HG3 GLU 63 HG3 GLU 63 3.701 28.928 17.999 501 H GLN 64 H GLN 64 1.822 27.440 19.902 502 HA GLN 64 HA GLN 64 2.242 27.705 22.797 503 HB2 GLN 64 HB2 GLN 64 1.273 29.913 22.949 504 HB3 GLN 64 HB3 GLN 64 2.717 29.949 21.932 505 HG2 GLN 64 HG2 GLN 64 1.229 29.932 19.897 506 HG3 GLN 64 HG3 GLN 64 -0.185 30.004 20.959 507 HE21 GLN 64 HE21 GLN 64 2.914 31.776 20.274 508 HE22 GLN 64 HE22 GLN 64 2.221 33.367 20.618 509 H ASN 65 H ASN 65 0.235 27.763 23.995 510 HA ASN 65 HA ASN 65 -2.036 26.404 22.592 511 HB2 ASN 65 HB2 ASN 65 -0.787 25.675 25.267 512 HB3 ASN 65 HB3 ASN 65 -2.155 24.856 24.497 513 HD21 ASN 65 HD21 ASN 65 -1.745 23.670 22.462 514 HD22 ASN 65 HD22 ASN 65 -0.119 23.077 22.144 515 H ARG 66 H ARG 66 -2.022 29.154 23.064 516 HA ARG 66 HA ARG 66 -3.539 29.926 25.418 517 HB2 ARG 66 HB2 ARG 66 -3.239 31.293 22.722 518 HB3 ARG 66 HB3 ARG 66 -3.899 32.037 24.158 519 HG2 ARG 66 HG2 ARG 66 -1.006 31.116 23.858 520 HG3 ARG 66 HG3 ARG 66 -1.615 32.751 23.668 521 HD2 ARG 66 HD2 ARG 66 -0.719 32.751 25.821 522 HD3 ARG 66 HD3 ARG 66 -2.460 32.638 26.065 523 HE ARG 66 HE ARG 66 -2.187 30.557 27.030 524 HH11 ARG 66 HH11 ARG 66 0.871 31.335 25.510 525 HH12 ARG 66 HH12 ARG 66 1.669 29.955 26.232 526 HH21 ARG 66 HH21 ARG 66 -1.126 28.827 27.868 527 HH22 ARG 66 HH22 ARG 66 0.565 28.582 27.532 528 H1 GLY -3 H1 GLY -3 20.107 -5.680 5.344 529 H2 GLY -3 H2 GLY -3 18.634 -4.977 5.218 530 H3 GLY -3 H3 GLY -3 19.610 -4.615 6.476 531 HA2 GLY -3 HA2 GLY -3 21.218 -3.562 5.034 532 HA3 GLY -3 HA3 GLY -3 20.188 -3.986 3.657 533 HA PRO -2 HA PRO -2 19.102 0.212 5.628 534 HB2 PRO -2 HB2 PRO -2 20.139 1.965 3.810 535 HB3 PRO -2 HB3 PRO -2 21.113 1.235 5.119 536 HG2 PRO -2 HG2 PRO -2 20.926 0.316 2.240 537 HG3 PRO -2 HG3 PRO -2 22.403 0.615 3.204 538 HD2 PRO -2 HD2 PRO -2 21.359 -1.882 2.924 539 HD3 PRO -2 HD3 PRO -2 22.081 -1.350 4.465 540 H GLY -1 H GLY -1 18.804 -0.998 2.304 541 HA2 GLY -1 HA2 GLY -1 17.069 -0.927 0.762 542 HA3 GLY -1 HA3 GLY -1 16.003 -0.672 2.142 543 H SER 0 H SER 0 14.668 0.669 0.862 544 HA SER 0 HA SER 0 15.546 3.260 -0.165 545 HB2 SER 0 HB2 SER 0 13.560 2.040 -1.021 546 HB3 SER 0 HB3 SER 0 12.769 2.235 0.555 547 HG SER 0 HG SER 0 13.467 4.216 -1.359 548 H MET 1 H MET 1 14.008 2.122 2.864 549 HA MET 1 HA MET 1 14.657 4.688 4.221 550 HB2 MET 1 HB2 MET 1 12.008 3.184 4.322 551 HB3 MET 1 HB3 MET 1 12.470 4.483 5.415 552 HG2 MET 1 HG2 MET 1 12.522 6.088 3.620 553 HG3 MET 1 HG3 MET 1 12.323 4.826 2.401 554 HE1 MET 1 HE1 MET 1 8.913 5.987 5.329 555 HE2 MET 1 HE2 MET 1 10.296 5.003 5.831 556 HE3 MET 1 HE3 MET 1 10.532 6.712 5.405 557 H CYS 2 H CYS 2 15.136 4.568 6.357 558 HA CYS 2 HA CYS 2 15.120 2.025 7.849 559 HB2 CYS 2 HB2 CYS 2 17.538 2.145 8.261 560 HB3 CYS 2 HB3 CYS 2 17.215 1.991 6.531 561 HG CYS 2 HG CYS 2 18.063 4.632 8.349 562 H MET 3 H MET 3 16.077 2.439 10.104 563 HA MET 3 HA MET 3 14.758 4.633 11.403 564 HB2 MET 3 HB2 MET 3 16.969 2.761 12.359 565 HB3 MET 3 HB3 MET 3 16.176 3.989 13.344 566 HG2 MET 3 HG2 MET 3 14.974 2.101 13.899 567 HG3 MET 3 HG3 MET 3 13.949 2.920 12.736 568 HE1 MET 3 HE1 MET 3 17.106 0.457 12.441 569 HE2 MET 3 HE2 MET 3 16.019 -0.173 13.701 570 HE3 MET 3 HE3 MET 3 16.246 -1.071 12.179 571 H ALA 4 H ALA 4 15.506 6.521 12.272 572 HA ALA 4 HA ALA 4 17.884 7.777 11.068 573 HB1 ALA 4 HB1 ALA 4 15.674 8.830 12.892 574 HB2 ALA 4 HB2 ALA 4 16.929 9.825 12.135 575 HB3 ALA 4 HB3 ALA 4 15.752 8.979 11.112 576 H LYS 5 H LYS 5 19.054 9.334 12.708 577 HA LYS 5 HA LYS 5 19.229 8.165 15.455 578 HB2 LYS 5 HB2 LYS 5 21.495 8.750 15.732 579 HB3 LYS 5 HB3 LYS 5 21.389 7.760 14.285 580 HG2 LYS 5 HG2 LYS 5 21.678 9.731 12.855 581 HG3 LYS 5 HG3 LYS 5 21.574 10.816 14.260 582 HD2 LYS 5 HD2 LYS 5 23.579 9.728 15.239 583 HD3 LYS 5 HD3 LYS 5 23.757 8.746 13.770 584 HE2 LYS 5 HE2 LYS 5 24.065 10.778 12.417 585 HE3 LYS 5 HE3 LYS 5 23.730 11.805 13.823 586 HZ1 LYS 5 HZ1 LYS 5 25.727 10.914 14.887 587 HZ2 LYS 5 HZ2 LYS 5 26.046 9.963 13.584 588 HZ3 LYS 5 HZ3 LYS 5 26.109 11.588 13.439 589 H VAL 6 H VAL 6 19.403 9.568 17.154 590 HA VAL 6 HA VAL 6 18.502 12.373 16.627 591 HB VAL 6 HB VAL 6 18.126 10.635 19.055 592 HG11 VAL 6 HG11 VAL 6 18.560 12.891 19.911 593 HG12 VAL 6 HG12 VAL 6 17.411 13.568 18.736 594 HG13 VAL 6 HG13 VAL 6 16.847 12.519 20.041 595 HG21 VAL 6 HG21 VAL 6 15.771 10.887 18.627 596 HG22 VAL 6 HG22 VAL 6 16.081 12.037 17.312 597 HG23 VAL 6 HG23 VAL 6 16.538 10.334 17.129 598 H VAL 7 H VAL 7 19.647 14.094 17.437 599 HA VAL 7 HA VAL 7 21.954 13.608 19.247 600 HB VAL 7 HB VAL 7 22.912 13.887 17.042 601 HG11 VAL 7 HG11 VAL 7 22.800 15.963 15.775 602 HG12 VAL 7 HG12 VAL 7 21.195 15.228 15.904 603 HG13 VAL 7 HG13 VAL 7 21.618 16.635 16.921 604 HG21 VAL 7 HG21 VAL 7 24.498 15.645 17.539 605 HG22 VAL 7 HG22 VAL 7 23.366 16.444 18.647 606 HG23 VAL 7 HG23 VAL 7 24.056 14.861 19.067 607 H LEU 8 H LEU 8 22.186 15.012 20.876 608 HA LEU 8 HA LEU 8 20.647 17.530 21.006 609 HB2 LEU 8 HB2 LEU 8 19.523 16.973 23.054 610 HB3 LEU 8 HB3 LEU 8 19.148 15.786 21.825 611 HG LEU 8 HG LEU 8 21.093 14.381 22.995 612 HD11 LEU 8 HD11 LEU 8 20.961 14.685 25.503 613 HD12 LEU 8 HD12 LEU 8 21.782 16.015 24.698 614 HD13 LEU 8 HD13 LEU 8 20.102 16.217 25.236 615 HD21 LEU 8 HD21 LEU 8 19.382 13.319 24.418 616 HD22 LEU 8 HD22 LEU 8 18.303 14.713 24.180 617 HD23 LEU 8 HD23 LEU 8 18.749 13.669 22.815 618 H THR 9 H THR 9 21.226 18.817 22.924 619 HA THR 9 HA THR 9 23.921 18.197 24.053 620 HB THR 9 HB THR 9 22.954 21.005 23.470 621 HG1 THR 9 HG1 THR 9 23.380 19.971 21.528 622 HG21 THR 9 HG21 THR 9 25.683 19.865 24.235 623 HG22 THR 9 HG22 THR 9 25.347 21.566 23.844 624 HG23 THR 9 HG23 THR 9 24.628 20.843 25.286 625 H LYS 10 H LYS 10 24.010 18.148 26.200 626 HA LYS 10 HA LYS 10 21.594 18.420 27.804 627 HB2 LYS 10 HB2 LYS 10 24.504 17.858 28.519 628 HB3 LYS 10 HB3 LYS 10 23.154 17.741 29.651 629 HG2 LYS 10 HG2 LYS 10 22.087 16.000 28.260 630 HG3 LYS 10 HG3 LYS 10 23.440 16.058 27.126 631 HD2 LYS 10 HD2 LYS 10 23.684 15.318 30.077 632 HD3 LYS 10 HD3 LYS 10 23.564 14.159 28.750 633 HE2 LYS 10 HE2 LYS 10 25.646 15.102 27.738 634 HE3 LYS 10 HE3 LYS 10 25.793 16.211 29.109 635 HZ1 LYS 10 HZ1 LYS 10 27.135 14.224 29.454 636 HZ2 LYS 10 HZ2 LYS 10 25.954 14.278 30.578 637 HZ3 LYS 10 HZ3 LYS 10 25.841 13.246 29.315 638 H ALA 11 H ALA 11 21.535 19.634 29.857 639 HA ALA 11 HA ALA 11 22.143 22.418 29.645 640 HB1 ALA 11 HB1 ALA 11 20.345 21.462 31.069 641 HB2 ALA 11 HB2 ALA 11 21.574 20.701 32.107 642 HB3 ALA 11 HB3 ALA 11 21.455 22.479 32.015 643 H ASP 12 H ASP 12 24.113 19.744 30.765 644 HA ASP 12 HA ASP 12 26.199 21.308 32.058 645 HB2 ASP 12 HB2 ASP 12 26.224 18.484 30.936 646 HB3 ASP 12 HB3 ASP 12 27.456 19.181 31.981 647 H GLY 13 H GLY 13 25.357 21.118 28.792 648 HA2 GLY 13 HA2 GLY 13 26.378 22.109 26.987 649 HA3 GLY 13 HA3 GLY 13 27.886 22.258 27.895 650 H GLY 14 H GLY 14 27.154 19.063 28.256 651 HA2 GLY 14 HA2 GLY 14 28.909 18.154 26.068 652 HA3 GLY 14 HA3 GLY 14 28.232 17.171 27.372 653 H ARG 15 H ARG 15 28.304 16.902 24.320 654 HA ARG 15 HA ARG 15 25.439 16.781 23.597 655 HB2 ARG 15 HB2 ARG 15 27.861 15.864 22.016 656 HB3 ARG 15 HB3 ARG 15 26.175 15.891 21.462 657 HG2 ARG 15 HG2 ARG 15 26.233 18.424 22.036 658 HG3 ARG 15 HG3 ARG 15 27.988 18.249 22.035 659 HD2 ARG 15 HD2 ARG 15 26.076 17.598 19.742 660 HD3 ARG 15 HD3 ARG 15 27.126 19.003 19.850 661 HE ARG 15 HE ARG 15 29.045 17.684 19.455 662 HH11 ARG 15 HH11 ARG 15 26.181 15.685 19.142 663 HH12 ARG 15 HH12 ARG 15 27.069 14.420 18.304 664 HH21 ARG 15 HH21 ARG 15 30.071 15.999 18.391 665 HH22 ARG 15 HH22 ARG 15 29.126 14.612 17.901 666 H VAL 16 H VAL 16 24.356 14.979 22.883 667 HA VAL 16 HA VAL 16 25.352 12.272 23.597 668 HB VAL 16 HB VAL 16 22.608 13.329 24.367 669 HG11 VAL 16 HG11 VAL 16 22.263 11.095 25.393 670 HG12 VAL 16 HG12 VAL 16 22.370 11.010 23.634 671 HG13 VAL 16 HG13 VAL 16 23.761 10.531 24.639 672 HG21 VAL 16 HG21 VAL 16 24.306 14.017 25.991 673 HG22 VAL 16 HG22 VAL 16 23.285 12.759 26.685 674 HG23 VAL 16 HG23 VAL 16 24.909 12.349 26.100 675 H GLU 17 H GLU 17 24.742 10.696 22.135 676 HA GLU 17 HA GLU 17 22.845 11.426 19.971 677 HB2 GLU 17 HB2 GLU 17 25.542 10.083 19.583 678 HB3 GLU 17 HB3 GLU 17 24.256 10.129 18.373 679 HG2 GLU 17 HG2 GLU 17 24.287 12.610 18.434 680 HG3 GLU 17 HG3 GLU 17 25.628 12.576 19.590 681 H ILE 18 H ILE 18 21.552 9.838 19.211 682 HA ILE 18 HA ILE 18 21.515 7.205 20.642 683 HB ILE 18 HB ILE 18 19.094 8.921 20.020 684 HG12 ILE 18 HG12 ILE 18 20.295 8.499 22.793 685 HG13 ILE 18 HG13 ILE 18 20.497 9.967 21.836 686 HG21 ILE 18 HG21 ILE 18 18.706 6.459 20.060 687 HG22 ILE 18 HG22 ILE 18 19.370 6.391 21.709 688 HG23 ILE 18 HG23 ILE 18 17.864 7.280 21.376 689 HD11 ILE 18 HD11 ILE 18 18.760 10.427 23.331 690 HD12 ILE 18 HD12 ILE 18 18.016 10.242 21.733 691 HD13 ILE 18 HD13 ILE 18 17.888 8.932 22.941 692 H GLY 19 H GLY 19 21.957 5.758 19.079 693 HA2 GLY 19 HA2 GLY 19 21.342 6.199 16.268 694 HA3 GLY 19 HA3 GLY 19 22.112 4.779 16.970 695 H ASP 20 H ASP 20 20.113 4.907 14.914 696 HA ASP 20 HA ASP 20 18.333 3.773 14.165 697 HB2 ASP 20 HB2 ASP 20 19.233 1.817 16.285 698 HB3 ASP 20 HB3 ASP 20 18.228 1.432 14.868 699 H VAL 21 H VAL 21 17.168 5.692 15.406 700 HA VAL 21 HA VAL 21 15.229 4.762 17.387 701 HB VAL 21 HB VAL 21 14.364 6.966 17.424 702 HG11 VAL 21 HG11 VAL 21 16.361 8.185 18.214 703 HG12 VAL 21 HG12 VAL 21 16.385 6.496 18.756 704 HG13 VAL 21 HG13 VAL 21 17.408 7.027 17.403 705 HG21 VAL 21 HG21 VAL 21 15.178 8.837 16.169 706 HG22 VAL 21 HG22 VAL 21 16.303 7.807 15.261 707 HG23 VAL 21 HG23 VAL 21 14.551 7.647 15.049 708 H LEU 22 H LEU 22 13.194 4.229 17.156 709 HA LEU 22 HA LEU 22 12.015 3.778 14.487 710 HB2 LEU 22 HB2 LEU 22 11.022 3.228 17.314 711 HB3 LEU 22 HB3 LEU 22 10.141 2.796 15.858 712 HG LEU 22 HG LEU 22 12.852 1.660 16.660 713 HD11 LEU 22 HD11 LEU 22 10.998 0.924 18.116 714 HD12 LEU 22 HD12 LEU 22 10.042 0.474 16.703 715 HD13 LEU 22 HD13 LEU 22 11.532 -0.407 17.081 716 HD21 LEU 22 HD21 LEU 22 12.450 0.018 14.853 717 HD22 LEU 22 HD22 LEU 22 10.963 0.861 14.401 718 HD23 LEU 22 HD23 LEU 22 12.538 1.658 14.192 719 H GLU 23 H GLU 23 11.640 5.994 17.270 720 HA GLU 23 HA GLU 23 9.794 7.704 15.750 721 HB2 GLU 23 HB2 GLU 23 8.374 5.841 16.600 722 HB3 GLU 23 HB3 GLU 23 8.838 6.233 18.252 723 HG2 GLU 23 HG2 GLU 23 7.709 8.365 18.154 724 HG3 GLU 23 HG3 GLU 23 7.501 8.248 16.402 725 H VAL 24 H VAL 24 9.652 9.770 16.537 726 HA VAL 24 HA VAL 24 10.915 10.427 19.152 727 HB VAL 24 HB VAL 24 11.495 11.917 16.567 728 HG11 VAL 24 HG11 VAL 24 13.204 13.099 17.979 729 HG12 VAL 24 HG12 VAL 24 11.558 13.418 18.503 730 HG13 VAL 24 HG13 VAL 24 12.557 12.267 19.407 731 HG21 VAL 24 HG21 VAL 24 13.830 11.133 16.834 732 HG22 VAL 24 HG22 VAL 24 13.326 10.099 18.186 733 HG23 VAL 24 HG23 VAL 24 12.729 9.798 16.542 734 H ARG 25 H ARG 25 9.928 12.091 20.265 735 HA ARG 25 HA ARG 25 7.750 13.645 18.918 736 HB2 ARG 25 HB2 ARG 25 7.358 12.267 21.589 737 HB3 ARG 25 HB3 ARG 25 6.165 13.132 20.635 738 HG2 ARG 25 HG2 ARG 25 6.199 11.273 18.945 739 HG3 ARG 25 HG3 ARG 25 7.395 10.411 19.952 740 HD2 ARG 25 HD2 ARG 25 5.860 10.480 21.873 741 HD3 ARG 25 HD3 ARG 25 4.669 11.355 20.883 742 HE ARG 25 HE ARG 25 5.284 8.880 19.599 743 HH11 ARG 25 HH11 ARG 25 3.561 10.079 22.433 744 HH12 ARG 25 HH12 ARG 25 2.431 8.744 22.379 745 HH21 ARG 25 HH21 ARG 25 3.949 7.291 19.618 746 HH22 ARG 25 HH22 ARG 25 2.664 7.119 20.821 747 H ALA 26 H ALA 26 7.682 15.726 19.555 748 HA ALA 26 HA ALA 26 8.933 16.594 22.125 749 HB1 ALA 26 HB1 ALA 26 9.580 17.867 20.147 750 HB2 ALA 26 HB2 ALA 26 7.883 18.169 19.747 751 HB3 ALA 26 HB3 ALA 26 8.578 18.861 21.217 752 H GLU 27 H GLU 27 7.510 16.052 23.713 753 HA GLU 27 HA GLU 27 4.883 17.314 23.795 754 HB2 GLU 27 HB2 GLU 27 3.519 15.342 24.030 755 HB3 GLU 27 HB3 GLU 27 4.309 15.374 22.460 756 HG2 GLU 27 HG2 GLU 27 5.982 13.696 23.332 757 HG3 GLU 27 HG3 GLU 27 5.074 13.639 24.849 758 H GLY 28 H GLY 28 3.921 17.353 25.863 759 HA2 GLY 28 HA2 GLY 28 3.834 17.361 28.162 760 HA3 GLY 28 HA3 GLY 28 4.905 15.961 28.165 761 H GLY 29 H GLY 29 5.935 19.021 26.717 762 HA2 GLY 29 HA2 GLY 29 7.537 20.586 27.342 763 HA3 GLY 29 HA3 GLY 29 7.440 20.014 29.008 764 H ALA 30 H ALA 30 8.110 17.635 26.578 765 HA ALA 30 HA ALA 30 11.033 17.612 27.069 766 HB1 ALA 30 HB1 ALA 30 9.095 15.312 27.632 767 HB2 ALA 30 HB2 ALA 30 10.859 15.243 27.813 768 HB3 ALA 30 HB3 ALA 30 9.891 16.287 28.879 769 H VAL 31 H VAL 31 12.120 15.926 25.729 770 HA VAL 31 HA VAL 31 10.518 15.115 23.338 771 HB VAL 31 HB VAL 31 13.497 15.425 23.527 772 HG11 VAL 31 HG11 VAL 31 13.448 14.609 21.108 773 HG12 VAL 31 HG12 VAL 31 13.151 13.343 22.309 774 HG13 VAL 31 HG13 VAL 31 11.805 14.049 21.389 775 HG21 VAL 31 HG21 VAL 31 11.380 16.531 21.615 776 HG22 VAL 31 HG22 VAL 31 12.041 17.400 23.000 777 HG23 VAL 31 HG23 VAL 31 13.109 16.972 21.661 778 H ARG 32 H ARG 32 9.999 13.121 23.052 779 HA ARG 32 HA ARG 32 11.192 10.950 24.733 780 HB2 ARG 32 HB2 ARG 32 8.551 11.059 23.230 781 HB3 ARG 32 HB3 ARG 32 9.205 9.612 24.006 782 HG2 ARG 32 HG2 ARG 32 9.084 10.648 26.212 783 HG3 ARG 32 HG3 ARG 32 8.613 12.195 25.497 784 HD2 ARG 32 HD2 ARG 32 6.636 11.160 26.363 785 HD3 ARG 32 HD3 ARG 32 6.547 11.143 24.599 786 HE ARG 32 HE ARG 32 7.641 8.677 25.745 787 HH11 ARG 32 HH11 ARG 32 4.602 10.207 24.756 788 HH12 ARG 32 HH12 ARG 32 3.710 8.744 25.090 789 HH21 ARG 32 HH21 ARG 32 6.450 6.827 25.874 790 HH22 ARG 32 HH22 ARG 32 4.730 6.877 25.599 791 H VAL 33 H VAL 33 11.995 9.139 23.772 792 HA VAL 33 HA VAL 33 12.052 8.924 20.797 793 HB VAL 33 HB VAL 33 14.530 8.470 22.473 794 HG11 VAL 33 HG11 VAL 33 14.156 8.471 19.491 795 HG12 VAL 33 HG12 VAL 33 15.713 8.392 20.366 796 HG13 VAL 33 HG13 VAL 33 14.543 7.089 20.531 797 HG21 VAL 33 HG21 VAL 33 15.498 10.464 21.376 798 HG22 VAL 33 HG22 VAL 33 13.929 10.821 20.635 799 HG23 VAL 33 HG23 VAL 33 14.134 10.918 22.397 800 H THR 34 H THR 34 11.821 6.878 20.052 801 HA THR 34 HA THR 34 12.042 4.589 21.995 802 HB THR 34 HB THR 34 10.278 4.705 19.526 803 HG1 THR 34 HG1 THR 34 9.502 5.970 21.227 804 HG21 THR 34 HG21 THR 34 10.999 2.409 20.015 805 HG22 THR 34 HG22 THR 34 10.556 2.604 21.719 806 HG23 THR 34 HG23 THR 34 9.301 2.617 20.454 807 H THR 35 H THR 35 13.608 3.085 21.520 808 HA THR 35 HA THR 35 15.002 3.265 18.880 809 HB THR 35 HB THR 35 16.804 2.034 19.879 810 HG1 THR 35 HG1 THR 35 16.724 1.542 22.103 811 HG21 THR 35 HG21 THR 35 16.793 4.477 20.164 812 HG22 THR 35 HG22 THR 35 15.939 4.308 21.711 813 HG23 THR 35 HG23 THR 35 17.590 3.653 21.528 814 H LEU 36 H LEU 36 15.827 1.202 17.963 815 HA LEU 36 HA LEU 36 13.783 -0.551 17.241 816 HB2 LEU 36 HB2 LEU 36 15.340 -1.675 15.972 817 HB3 LEU 36 HB3 LEU 36 15.954 -0.028 16.049 818 HG LEU 36 HG LEU 36 17.006 -2.430 17.648 819 HD11 LEU 36 HD11 LEU 36 17.497 -2.520 15.237 820 HD12 LEU 36 HD12 LEU 36 18.220 -0.902 15.328 821 HD13 LEU 36 HD13 LEU 36 18.958 -2.266 16.202 822 HD21 LEU 36 HD21 LEU 36 18.936 -0.894 18.168 823 HD22 LEU 36 HD22 LEU 36 17.976 0.457 17.528 824 HD23 LEU 36 HD23 LEU 36 17.442 -0.433 18.967 825 H PHE 37 H PHE 37 15.533 -0.707 20.189 826 HA PHE 37 HA PHE 37 15.025 -3.558 20.698 827 HB2 PHE 37 HB2 PHE 37 15.990 -1.366 22.559 828 HB3 PHE 37 HB3 PHE 37 16.064 -3.108 22.864 829 HD1 PHE 37 HD1 PHE 37 17.211 -4.371 20.605 830 HD2 PHE 37 HD2 PHE 37 18.128 -0.479 22.212 831 HE1 PHE 37 HE1 PHE 37 19.495 -4.497 19.619 832 HE2 PHE 37 HE2 PHE 37 20.395 -0.599 21.215 833 HZ PHE 37 HZ PHE 37 21.085 -2.607 19.915 834 H ASP 38 H ASP 38 12.947 -1.069 20.521 835 HA ASP 38 HA ASP 38 10.987 -0.442 21.315 836 HB2 ASP 38 HB2 ASP 38 10.732 -3.037 22.861 837 HB3 ASP 38 HB3 ASP 38 9.447 -1.926 22.435 838 H GLU 39 H GLU 39 13.590 -0.152 22.947 839 HA GLU 39 HA GLU 39 12.600 0.504 25.644 840 HB2 GLU 39 HB2 GLU 39 15.275 0.872 24.253 841 HB3 GLU 39 HB3 GLU 39 14.929 1.521 25.855 842 HG2 GLU 39 HG2 GLU 39 14.426 -0.707 26.724 843 HG3 GLU 39 HG3 GLU 39 14.646 -1.410 25.119 844 H GLU 40 H GLU 40 12.140 2.441 26.443 845 HA GLU 40 HA GLU 40 11.940 4.770 24.572 846 HB2 GLU 40 HB2 GLU 40 10.442 4.152 27.144 847 HB3 GLU 40 HB3 GLU 40 10.418 5.713 26.312 848 HG2 GLU 40 HG2 GLU 40 9.572 4.582 24.248 849 HG3 GLU 40 HG3 GLU 40 9.502 3.054 25.143 850 H HIS 41 H HIS 41 12.637 6.753 25.120 851 HA HIS 41 HA HIS 41 14.262 7.207 27.582 852 HB2 HIS 41 HB2 HIS 41 15.132 8.029 24.781 853 HB3 HIS 41 HB3 HIS 41 16.023 8.257 26.282 854 HD2 HIS 41 HD2 HIS 41 15.214 5.663 23.597 855 HE1 HIS 41 HE1 HIS 41 17.940 3.740 26.247 856 HE2 HIS 41 HE2 HIS 41 16.724 3.542 24.029 857 H ALA 42 H ALA 42 14.266 9.416 28.266 858 HA ALA 42 HA ALA 42 12.531 11.299 26.785 859 HB1 ALA 42 HB1 ALA 42 11.039 10.135 28.343 860 HB2 ALA 42 HB2 ALA 42 12.110 10.557 29.704 861 HB3 ALA 42 HB3 ALA 42 11.249 11.826 28.812 862 H PHE 43 H PHE 43 13.017 13.363 26.935 863 HA PHE 43 HA PHE 43 15.344 14.245 28.592 864 HB2 PHE 43 HB2 PHE 43 14.910 14.738 25.633 865 HB3 PHE 43 HB3 PHE 43 16.264 15.285 26.619 866 HD1 PHE 43 HD1 PHE 43 17.804 13.544 27.677 867 HD2 PHE 43 HD2 PHE 43 14.885 12.549 24.656 868 HE1 PHE 43 HE1 PHE 43 18.938 11.364 27.297 869 HE2 PHE 43 HE2 PHE 43 16.033 10.386 24.263 870 HZ PHE 43 HZ PHE 43 18.025 9.768 25.606 871 HA PRO 44 HA PRO 44 11.900 17.257 29.123 872 HB2 PRO 44 HB2 PRO 44 12.533 18.097 31.671 873 HB3 PRO 44 HB3 PRO 44 11.574 16.640 31.287 874 HG2 PRO 44 HG2 PRO 44 14.535 16.814 31.906 875 HG3 PRO 44 HG3 PRO 44 13.334 15.645 32.554 876 HD2 PRO 44 HD2 PRO 44 14.994 15.020 30.511 877 HD3 PRO 44 HD3 PRO 44 13.311 14.415 30.551 878 H GLY 45 H GLY 45 11.783 19.405 28.880 879 HA2 GLY 45 HA2 GLY 45 12.473 21.619 28.665 880 HA3 GLY 45 HA3 GLY 45 14.131 21.191 29.091 881 H LEU 46 H LEU 46 13.222 19.051 26.663 882 HA LEU 46 HA LEU 46 14.396 20.756 24.518 883 HB2 LEU 46 HB2 LEU 46 14.135 17.738 24.657 884 HB3 LEU 46 HB3 LEU 46 14.856 18.655 23.344 885 HG LEU 46 HG LEU 46 15.930 18.404 26.175 886 HD11 LEU 46 HD11 LEU 46 17.118 17.558 23.499 887 HD12 LEU 46 HD12 LEU 46 17.743 17.200 25.127 888 HD13 LEU 46 HD13 LEU 46 16.226 16.474 24.576 889 HD21 LEU 46 HD21 LEU 46 16.492 20.654 25.390 890 HD22 LEU 46 HD22 LEU 46 17.926 19.628 25.329 891 HD23 LEU 46 HD23 LEU 46 17.053 19.992 23.827 892 H ALA 47 H ALA 47 13.676 20.591 22.416 893 HA ALA 47 HA ALA 47 11.134 19.279 21.738 894 HB1 ALA 47 HB1 ALA 47 11.685 22.230 21.158 895 HB2 ALA 47 HB2 ALA 47 10.374 21.269 20.446 896 HB3 ALA 47 HB3 ALA 47 10.395 21.562 22.188 897 H ILE 48 H ILE 48 10.940 19.128 19.287 898 HA ILE 48 HA ILE 48 13.507 18.301 18.149 899 HB ILE 48 HB ILE 48 10.729 18.403 16.946 900 HG12 ILE 48 HG12 ILE 48 12.189 15.853 17.679 901 HG13 ILE 48 HG13 ILE 48 11.312 16.725 18.928 902 HG21 ILE 48 HG21 ILE 48 13.344 17.208 15.894 903 HG22 ILE 48 HG22 ILE 48 11.752 16.840 15.207 904 HG23 ILE 48 HG23 ILE 48 12.376 18.485 15.136 905 HD11 ILE 48 HD11 ILE 48 10.083 15.692 16.339 906 HD12 ILE 48 HD12 ILE 48 9.864 15.025 17.966 907 HD13 ILE 48 HD13 ILE 48 9.221 16.633 17.584 908 H GLY 49 H GLY 49 14.879 19.569 17.090 909 HA2 GLY 49 HA2 GLY 49 14.128 22.367 16.422 910 HA3 GLY 49 HA3 GLY 49 15.746 21.690 16.606 911 H ARG 50 H ARG 50 15.732 19.541 14.882 912 HA ARG 50 HA ARG 50 14.902 20.468 12.198 913 HB2 ARG 50 HB2 ARG 50 16.980 21.664 12.538 914 HB3 ARG 50 HB3 ARG 50 17.810 20.188 13.041 915 HG2 ARG 50 HG2 ARG 50 17.681 19.253 10.815 916 HG3 ARG 50 HG3 ARG 50 16.655 20.583 10.258 917 HD2 ARG 50 HD2 ARG 50 18.477 22.191 10.665 918 HD3 ARG 50 HD3 ARG 50 19.515 20.903 11.280 919 HE ARG 50 HE ARG 50 18.747 21.451 8.468 920 HH11 ARG 50 HH11 ARG 50 20.376 19.132 10.583 921 HH12 ARG 50 HH12 ARG 50 21.046 18.275 9.211 922 HH21 ARG 50 HH21 ARG 50 19.661 20.273 6.829 923 HH22 ARG 50 HH22 ARG 50 20.588 18.820 7.218 924 H VAL 51 H VAL 51 14.746 18.916 10.692 925 HA VAL 51 HA VAL 51 15.477 16.098 11.349 926 HB VAL 51 HB VAL 51 12.869 17.009 10.057 927 HG11 VAL 51 HG11 VAL 51 13.603 14.801 9.305 928 HG12 VAL 51 HG12 VAL 51 13.868 14.279 10.976 929 HG13 VAL 51 HG13 VAL 51 12.229 14.613 10.406 930 HG21 VAL 51 HG21 VAL 51 11.730 16.248 12.088 931 HG22 VAL 51 HG22 VAL 51 13.304 15.923 12.874 932 HG23 VAL 51 HG23 VAL 51 12.824 17.578 12.453 933 H ASP 52 H ASP 52 16.796 15.328 9.835 934 HA ASP 52 HA ASP 52 16.913 16.630 7.138 935 HB2 ASP 52 HB2 ASP 52 18.739 17.109 8.728 936 HB3 ASP 52 HB3 ASP 52 19.150 15.398 8.782 937 H LEU 53 H LEU 53 15.797 15.330 5.838 938 HA LEU 53 HA LEU 53 15.693 12.442 6.231 939 HB2 LEU 53 HB2 LEU 53 14.371 14.195 4.112 940 HB3 LEU 53 HB3 LEU 53 14.022 12.518 4.450 941 HG LEU 53 HG LEU 53 12.258 13.679 5.329 942 HD11 LEU 53 HD11 LEU 53 13.129 11.867 6.776 943 HD12 LEU 53 HD12 LEU 53 14.029 13.070 7.725 944 HD13 LEU 53 HD13 LEU 53 12.263 13.104 7.694 945 HD21 LEU 53 HD21 LEU 53 14.007 15.515 6.996 946 HD22 LEU 53 HD22 LEU 53 13.231 15.944 5.443 947 HD23 LEU 53 HD23 LEU 53 12.254 15.523 6.840 948 H ARG 54 H ARG 54 17.903 14.351 4.586 949 HA ARG 54 HA ARG 54 18.372 12.750 2.204 950 HB2 ARG 54 HB2 ARG 54 20.367 14.384 3.837 951 HB3 ARG 54 HB3 ARG 54 20.536 13.857 2.161 952 HG2 ARG 54 HG2 ARG 54 18.674 15.326 1.457 953 HG3 ARG 54 HG3 ARG 54 18.395 15.810 3.143 954 HD2 ARG 54 HD2 ARG 54 20.835 16.592 3.214 955 HD3 ARG 54 HD3 ARG 54 20.876 16.348 1.480 956 HE ARG 54 HE ARG 54 19.611 18.299 1.189 957 HH11 ARG 54 HH11 ARG 54 19.327 17.422 4.635 958 HH12 ARG 54 HH12 ARG 54 18.840 19.081 5.005 959 HH21 ARG 54 HH21 ARG 54 18.921 20.350 1.933 960 HH22 ARG 54 HH22 ARG 54 18.637 20.536 3.666 961 H SER 55 H SER 55 19.506 12.535 5.533 962 HA SER 55 HA SER 55 20.698 9.838 5.004 963 HB2 SER 55 HB2 SER 55 21.853 12.051 6.754 964 HB3 SER 55 HB3 SER 55 22.558 10.446 6.499 965 HG SER 55 HG SER 55 22.925 10.938 4.358 966 H GLY 56 H GLY 56 18.391 11.492 6.913 967 HA2 GLY 56 HA2 GLY 56 17.035 10.639 8.578 968 HA3 GLY 56 HA3 GLY 56 17.994 9.158 8.627 969 H VAL 57 H VAL 57 18.312 12.655 9.405 970 HA VAL 57 HA VAL 57 19.452 11.932 12.080 971 HB VAL 57 HB VAL 57 20.488 14.174 10.318 972 HG11 VAL 57 HG11 VAL 57 20.566 14.844 12.679 973 HG12 VAL 57 HG12 VAL 57 21.320 13.287 13.117 974 HG13 VAL 57 HG13 VAL 57 22.193 14.459 12.114 975 HG21 VAL 57 HG21 VAL 57 21.805 11.579 11.232 976 HG22 VAL 57 HG22 VAL 57 21.358 12.004 9.563 977 HG23 VAL 57 HG23 VAL 57 22.629 12.909 10.383 978 H ILE 58 H ILE 58 18.638 12.956 13.777 979 HA ILE 58 HA ILE 58 16.701 15.208 13.387 980 HB ILE 58 HB ILE 58 16.563 12.738 15.136 981 HG12 ILE 58 HG12 ILE 58 14.540 13.864 13.159 982 HG13 ILE 58 HG13 ILE 58 15.732 12.641 12.738 983 HG21 ILE 58 HG21 ILE 58 14.832 15.236 15.320 984 HG22 ILE 58 HG22 ILE 58 14.469 13.697 16.123 985 HG23 ILE 58 HG23 ILE 58 15.906 14.590 16.584 986 HD11 ILE 58 HD11 ILE 58 14.776 11.130 14.518 987 HD12 ILE 58 HD12 ILE 58 13.435 12.307 14.680 988 HD13 ILE 58 HD13 ILE 58 13.719 11.486 13.148 989 H SER 59 H SER 59 17.341 17.019 14.343 990 HA SER 59 HA SER 59 19.304 16.925 16.605 991 HB2 SER 59 HB2 SER 59 18.584 19.282 14.846 992 HB3 SER 59 HB3 SER 59 19.882 19.203 16.039 993 HG SER 59 HG SER 59 20.966 17.725 14.750 994 H LEU 60 H LEU 60 18.659 17.522 18.589 995 HA LEU 60 HA LEU 60 15.990 18.800 18.949 996 HB2 LEU 60 HB2 LEU 60 17.752 17.566 21.068 997 HB3 LEU 60 HB3 LEU 60 16.065 18.050 21.198 998 HG LEU 60 HG LEU 60 17.194 15.714 19.610 999 HD11 LEU 60 HD11 LEU 60 15.303 15.885 21.995 1000 HD12 LEU 60 HD12 LEU 60 15.826 14.389 21.179 1001 HD13 LEU 60 HD13 LEU 60 16.994 15.377 22.050 1002 HD21 LEU 60 HD21 LEU 60 15.321 16.607 18.305 1003 HD22 LEU 60 HD22 LEU 60 14.823 15.119 19.121 1004 HD23 LEU 60 HD23 LEU 60 14.305 16.693 19.762 1005 H ILE 61 H ILE 61 15.678 20.511 20.373 1006 HA ILE 61 HA ILE 61 17.972 22.233 21.124 1007 HB ILE 61 HB ILE 61 16.815 24.231 20.238 1008 HG12 ILE 61 HG12 ILE 61 15.246 23.767 18.212 1009 HG13 ILE 61 HG13 ILE 61 14.875 22.243 19.001 1010 HG21 ILE 61 HG21 ILE 61 17.526 22.211 18.095 1011 HG22 ILE 61 HG22 ILE 61 17.559 23.979 17.957 1012 HG23 ILE 61 HG23 ILE 61 18.681 23.157 19.057 1013 HD11 ILE 61 HD11 ILE 61 13.232 24.058 19.431 1014 HD12 ILE 61 HD12 ILE 61 13.946 23.473 20.931 1015 HD13 ILE 61 HD13 ILE 61 14.493 25.015 20.225 1016 H GLU 62 H GLU 62 17.443 23.866 22.738 1017 HA GLU 62 HA GLU 62 15.662 22.930 24.791 1018 HB2 GLU 62 HB2 GLU 62 16.900 25.706 24.468 1019 HB3 GLU 62 HB3 GLU 62 16.163 25.019 25.912 1020 HG2 GLU 62 HG2 GLU 62 18.311 24.596 26.447 1021 HG3 GLU 62 HG3 GLU 62 17.979 23.099 25.581 1022 H GLU 63 H GLU 63 13.554 23.278 25.181 1023 HA GLU 63 HA GLU 63 11.973 24.616 23.145 1024 HB2 GLU 63 HB2 GLU 63 10.084 23.713 24.219 1025 HB3 GLU 63 HB3 GLU 63 11.329 22.478 24.138 1026 HG2 GLU 63 HG2 GLU 63 11.271 22.125 26.340 1027 HG3 GLU 63 HG3 GLU 63 11.565 23.816 26.701 1028 H GLN 64 H GLN 64 13.416 25.895 25.869 1029 HA GLN 64 HA GLN 64 11.687 28.323 25.745 1030 HB2 GLN 64 HB2 GLN 64 12.801 27.114 28.303 1031 HB3 GLN 64 HB3 GLN 64 11.984 28.681 28.157 1032 HG2 GLN 64 HG2 GLN 64 9.903 27.550 27.438 1033 HG3 GLN 64 HG3 GLN 64 10.717 25.987 27.518 1034 HE21 GLN 64 HE21 GLN 64 9.444 25.024 29.100 1035 HE22 GLN 64 HE22 GLN 64 9.362 25.647 30.757 1036 H ASN 65 H ASN 65 12.739 30.145 25.424 1037 HA ASN 65 HA ASN 65 15.705 30.297 25.757 1038 HB2 ASN 65 HB2 ASN 65 14.199 30.808 23.151 1039 HB3 ASN 65 HB3 ASN 65 15.912 31.077 23.426 1040 HD21 ASN 65 HD21 ASN 65 13.519 28.687 22.672 1041 HD22 ASN 65 HD22 ASN 65 14.603 27.296 22.697 1042 H ARG 66 H ARG 66 13.466 31.571 27.198 1043 HA ARG 66 HA ARG 66 14.129 34.468 26.830 1044 HB2 ARG 66 HB2 ARG 66 11.403 33.268 27.465 1045 HB3 ARG 66 HB3 ARG 66 11.793 34.983 27.515 1046 HG2 ARG 66 HG2 ARG 66 11.888 33.294 24.980 1047 HG3 ARG 66 HG3 ARG 66 10.513 34.250 25.513 1048 HD2 ARG 66 HD2 ARG 66 11.573 35.587 23.907 1049 HD3 ARG 66 HD3 ARG 66 12.005 36.312 25.456 1050 HE ARG 66 HE ARG 66 14.006 34.415 24.664 1051 HH11 ARG 66 HH11 ARG 66 12.951 37.628 23.759 1052 HH12 ARG 66 HH12 ARG 66 14.544 38.070 23.195 1053 HH21 ARG 66 HH21 ARG 66 15.955 35.024 23.999 1054 HH22 ARG 66 HH22 ARG 66 16.236 36.625 23.350 Start of MODEL 6 1 H1 GLY -3 H1 GLY -3 25.883 9.418 -0.583 2 H2 GLY -3 H2 GLY -3 25.544 10.563 0.536 3 H3 GLY -3 H3 GLY -3 26.985 10.588 -0.262 4 HA2 GLY -3 HA2 GLY -3 25.574 12.297 -1.156 5 HA3 GLY -3 HA3 GLY -3 25.892 11.036 -2.357 6 HA PRO -2 HA PRO -2 21.253 11.645 -1.906 7 HB2 PRO -2 HB2 PRO -2 20.678 12.467 -4.442 8 HB3 PRO -2 HB3 PRO -2 21.257 13.592 -3.175 9 HG2 PRO -2 HG2 PRO -2 22.910 12.201 -5.314 10 HG3 PRO -2 HG3 PRO -2 22.883 13.946 -4.908 11 HD2 PRO -2 HD2 PRO -2 24.766 12.277 -3.910 12 HD3 PRO -2 HD3 PRO -2 24.080 13.589 -2.904 13 H GLY -1 H GLY -1 19.553 10.442 -3.024 14 HA2 GLY -1 HA2 GLY -1 18.652 8.667 -4.254 15 HA3 GLY -1 HA3 GLY -1 20.237 8.278 -4.903 16 H SER 0 H SER 0 18.926 6.165 -4.347 17 HA SER 0 HA SER 0 18.620 4.254 -3.209 18 HB2 SER 0 HB2 SER 0 21.239 4.960 -1.849 19 HB3 SER 0 HB3 SER 0 20.521 3.347 -1.962 20 HG SER 0 HG SER 0 20.762 3.390 -4.182 21 H MET 1 H MET 1 17.537 6.717 -1.918 22 HA MET 1 HA MET 1 16.717 5.639 0.717 23 HB2 MET 1 HB2 MET 1 18.075 8.335 0.314 24 HB3 MET 1 HB3 MET 1 17.198 7.873 1.771 25 HG2 MET 1 HG2 MET 1 18.742 5.975 2.117 26 HG3 MET 1 HG3 MET 1 19.678 6.482 0.711 27 HE1 MET 1 HE1 MET 1 21.191 8.484 0.530 28 HE2 MET 1 HE2 MET 1 19.893 9.634 0.899 29 HE3 MET 1 HE3 MET 1 21.439 9.718 1.780 30 H CYS 2 H CYS 2 14.955 6.992 1.659 31 HA CYS 2 HA CYS 2 13.276 8.350 -0.405 32 HB2 CYS 2 HB2 CYS 2 12.549 5.982 0.015 33 HB3 CYS 2 HB3 CYS 2 12.304 6.399 1.720 34 HG CYS 2 HG CYS 2 10.845 7.579 -1.022 35 H MET 3 H MET 3 12.231 10.155 0.189 36 HA MET 3 HA MET 3 13.132 11.484 2.655 37 HB2 MET 3 HB2 MET 3 11.974 12.352 0.012 38 HB3 MET 3 HB3 MET 3 11.737 13.398 1.395 39 HG2 MET 3 HG2 MET 3 13.777 14.028 0.208 40 HG3 MET 3 HG3 MET 3 14.099 13.524 1.854 41 HE1 MET 3 HE1 MET 3 15.038 10.939 -1.856 42 HE2 MET 3 HE2 MET 3 13.484 11.754 -1.495 43 HE3 MET 3 HE3 MET 3 14.906 12.708 -1.973 44 H ALA 4 H ALA 4 11.646 12.881 3.879 45 HA ALA 4 HA ALA 4 9.445 11.243 4.905 46 HB1 ALA 4 HB1 ALA 4 10.542 13.961 5.740 47 HB2 ALA 4 HB2 ALA 4 9.367 12.983 6.647 48 HB3 ALA 4 HB3 ALA 4 11.007 12.376 6.417 49 H LYS 5 H LYS 5 7.391 12.246 5.477 50 HA LYS 5 HA LYS 5 6.523 14.483 3.719 51 HB2 LYS 5 HB2 LYS 5 4.239 13.670 3.706 52 HB3 LYS 5 HB3 LYS 5 5.337 12.540 2.923 53 HG2 LYS 5 HG2 LYS 5 5.326 11.090 4.918 54 HG3 LYS 5 HG3 LYS 5 4.252 12.207 5.758 55 HD2 LYS 5 HD2 LYS 5 3.548 10.806 3.149 56 HD3 LYS 5 HD3 LYS 5 3.124 10.194 4.753 57 HE2 LYS 5 HE2 LYS 5 1.844 12.251 5.244 58 HE3 LYS 5 HE3 LYS 5 2.264 12.896 3.649 59 HZ1 LYS 5 HZ1 LYS 5 0.630 10.476 4.149 60 HZ2 LYS 5 HZ2 LYS 5 0.075 11.926 3.606 61 HZ3 LYS 5 HZ3 LYS 5 1.058 11.019 2.662 62 H VAL 6 H VAL 6 5.669 16.199 4.656 63 HA VAL 6 HA VAL 6 5.478 16.256 7.635 64 HB VAL 6 HB VAL 6 5.910 18.490 5.645 65 HG11 VAL 6 HG11 VAL 6 6.209 19.945 7.657 66 HG12 VAL 6 HG12 VAL 6 4.547 19.401 7.453 67 HG13 VAL 6 HG13 VAL 6 5.596 18.619 8.663 68 HG21 VAL 6 HG21 VAL 6 8.084 18.721 6.672 69 HG22 VAL 6 HG22 VAL 6 7.702 17.538 7.913 70 HG23 VAL 6 HG23 VAL 6 7.912 17.024 6.225 71 H VAL 7 H VAL 7 3.608 16.889 8.663 72 HA VAL 7 HA VAL 7 1.251 17.640 7.037 73 HB VAL 7 HB VAL 7 1.165 15.228 7.116 74 HG11 VAL 7 HG11 VAL 7 1.103 15.414 10.154 75 HG12 VAL 7 HG12 VAL 7 0.892 13.947 9.187 76 HG13 VAL 7 HG13 VAL 7 2.451 14.784 9.176 77 HG21 VAL 7 HG21 VAL 7 -0.979 16.537 7.296 78 HG22 VAL 7 HG22 VAL 7 -1.061 14.904 7.979 79 HG23 VAL 7 HG23 VAL 7 -0.930 16.303 9.054 80 H LEU 8 H LEU 8 -0.273 18.845 7.992 81 HA LEU 8 HA LEU 8 -0.212 19.490 10.862 82 HB2 LEU 8 HB2 LEU 8 0.146 21.866 10.523 83 HB3 LEU 8 HB3 LEU 8 1.476 20.948 9.866 84 HG LEU 8 HG LEU 8 -0.026 21.198 7.592 85 HD11 LEU 8 HD11 LEU 8 -0.491 23.764 9.167 86 HD12 LEU 8 HD12 LEU 8 -0.839 23.530 7.445 87 HD13 LEU 8 HD13 LEU 8 -1.765 22.632 8.651 88 HD21 LEU 8 HD21 LEU 8 1.923 23.277 8.634 89 HD22 LEU 8 HD22 LEU 8 2.339 21.767 7.793 90 HD23 LEU 8 HD23 LEU 8 1.445 23.032 6.943 91 H THR 9 H THR 9 -2.021 20.690 11.579 92 HA THR 9 HA THR 9 -4.397 20.799 9.746 93 HB THR 9 HB THR 9 -4.473 20.691 12.784 94 HG1 THR 9 HG1 THR 9 -3.705 18.733 11.977 95 HG21 THR 9 HG21 THR 9 -6.627 20.286 10.662 96 HG22 THR 9 HG22 THR 9 -6.842 20.079 12.413 97 HG23 THR 9 HG23 THR 9 -6.491 21.681 11.748 98 H LYS 10 H LYS 10 -5.251 22.713 9.320 99 HA LYS 10 HA LYS 10 -3.902 25.169 10.245 100 HB2 LYS 10 HB2 LYS 10 -6.216 24.670 8.307 101 HB3 LYS 10 HB3 LYS 10 -5.455 26.243 8.596 102 HG2 LYS 10 HG2 LYS 10 -3.244 25.192 7.874 103 HG3 LYS 10 HG3 LYS 10 -4.172 23.789 7.324 104 HD2 LYS 10 HD2 LYS 10 -4.635 26.661 6.411 105 HD3 LYS 10 HD3 LYS 10 -3.681 25.469 5.513 106 HE2 LYS 10 HE2 LYS 10 -5.535 24.139 4.970 107 HE3 LYS 10 HE3 LYS 10 -6.548 24.839 6.243 108 HZ1 LYS 10 HZ1 LYS 10 -5.630 26.365 3.873 109 HZ2 LYS 10 HZ2 LYS 10 -7.116 25.700 4.022 110 HZ3 LYS 10 HZ3 LYS 10 -6.658 26.889 5.043 111 H ALA 11 H ALA 11 -5.053 27.043 10.987 112 HA ALA 11 HA ALA 11 -7.049 26.709 13.023 113 HB1 ALA 11 HB1 ALA 11 -5.437 28.590 12.909 114 HB2 ALA 11 HB2 ALA 11 -6.232 29.183 11.428 115 HB3 ALA 11 HB3 ALA 11 -7.109 29.171 12.971 116 H ASP 12 H ASP 12 -7.337 26.963 9.549 117 HA ASP 12 HA ASP 12 -10.141 27.629 9.329 118 HB2 ASP 12 HB2 ASP 12 -8.363 25.987 7.486 119 HB3 ASP 12 HB3 ASP 12 -9.888 26.745 7.048 120 H GLY 13 H GLY 13 -8.670 24.796 10.581 121 HA2 GLY 13 HA2 GLY 13 -9.601 22.794 11.290 122 HA3 GLY 13 HA3 GLY 13 -11.120 23.160 10.464 123 H GLY 14 H GLY 14 -9.030 23.717 8.056 124 HA2 GLY 14 HA2 GLY 14 -9.177 21.075 6.809 125 HA3 GLY 14 HA3 GLY 14 -8.483 22.546 6.123 126 H ARG 15 H ARG 15 -7.128 20.301 5.643 127 HA ARG 15 HA ARG 15 -4.703 20.448 7.407 128 HB2 ARG 15 HB2 ARG 15 -6.128 17.981 6.342 129 HB3 ARG 15 HB3 ARG 15 -4.430 17.958 6.848 130 HG2 ARG 15 HG2 ARG 15 -5.021 18.791 9.057 131 HG3 ARG 15 HG3 ARG 15 -6.743 18.835 8.630 132 HD2 ARG 15 HD2 ARG 15 -6.791 16.423 8.401 133 HD3 ARG 15 HD3 ARG 15 -5.034 16.314 8.627 134 HE ARG 15 HE ARG 15 -5.619 17.549 10.900 135 HH11 ARG 15 HH11 ARG 15 -7.442 14.838 9.576 136 HH12 ARG 15 HH12 ARG 15 -8.040 14.387 11.151 137 HH21 ARG 15 HH21 ARG 15 -6.382 16.899 12.814 138 HH22 ARG 15 HH22 ARG 15 -7.459 15.528 12.944 139 H VAL 16 H VAL 16 -2.741 19.956 6.537 140 HA VAL 16 HA VAL 16 -2.461 20.131 3.571 141 HB VAL 16 HB VAL 16 -0.905 21.754 5.607 142 HG11 VAL 16 HG11 VAL 16 0.591 21.085 3.766 143 HG12 VAL 16 HG12 VAL 16 -0.615 21.619 2.575 144 HG13 VAL 16 HG13 VAL 16 0.198 22.800 3.634 145 HG21 VAL 16 HG21 VAL 16 -3.084 22.758 5.205 146 HG22 VAL 16 HG22 VAL 16 -1.844 23.717 4.401 147 HG23 VAL 16 HG23 VAL 16 -2.862 22.627 3.445 148 H GLU 17 H GLU 17 -1.023 18.771 2.719 149 HA GLU 17 HA GLU 17 0.939 17.336 4.444 150 HB2 GLU 17 HB2 GLU 17 -0.828 16.120 2.286 151 HB3 GLU 17 HB3 GLU 17 0.555 15.326 3.055 152 HG2 GLU 17 HG2 GLU 17 -0.544 15.414 5.235 153 HG3 GLU 17 HG3 GLU 17 -1.917 16.296 4.551 154 H ILE 18 H ILE 18 2.949 17.158 3.641 155 HA ILE 18 HA ILE 18 3.506 18.068 0.839 156 HB ILE 18 HB ILE 18 5.018 18.915 3.341 157 HG12 ILE 18 HG12 ILE 18 3.219 20.637 1.573 158 HG13 ILE 18 HG13 ILE 18 2.774 20.020 3.168 159 HG21 ILE 18 HG21 ILE 18 6.322 20.350 1.827 160 HG22 ILE 18 HG22 ILE 18 6.418 18.695 1.253 161 HG23 ILE 18 HG23 ILE 18 5.336 19.840 0.445 162 HD11 ILE 18 HD11 ILE 18 4.957 22.038 2.590 163 HD12 ILE 18 HD12 ILE 18 3.455 22.248 3.485 164 HD13 ILE 18 HD13 ILE 18 4.729 21.213 4.164 165 H GLY 19 H GLY 19 4.354 16.314 -0.158 166 HA2 GLY 19 HA2 GLY 19 5.998 14.317 1.291 167 HA3 GLY 19 HA3 GLY 19 5.421 14.207 -0.368 168 H ASP 20 H ASP 20 7.904 13.441 -0.042 169 HA ASP 20 HA ASP 20 10.079 13.684 -0.685 170 HB2 ASP 20 HB2 ASP 20 8.983 15.792 -2.562 171 HB3 ASP 20 HB3 ASP 20 10.482 14.907 -2.731 172 H VAL 21 H VAL 21 9.376 15.200 1.648 173 HA VAL 21 HA VAL 21 10.810 17.739 1.602 174 HB VAL 21 HB VAL 21 9.673 16.071 3.879 175 HG11 VAL 21 HG11 VAL 21 11.556 17.307 4.806 176 HG12 VAL 21 HG12 VAL 21 11.005 18.805 4.003 177 HG13 VAL 21 HG13 VAL 21 10.043 18.065 5.297 178 HG21 VAL 21 HG21 VAL 21 8.868 18.733 2.610 179 HG22 VAL 21 HG22 VAL 21 8.030 17.178 2.377 180 HG23 VAL 21 HG23 VAL 21 8.048 17.937 3.973 181 H LEU 22 H LEU 22 12.878 17.931 1.487 182 HA LEU 22 HA LEU 22 14.689 15.713 2.129 183 HB2 LEU 22 HB2 LEU 22 14.702 17.119 -0.020 184 HB3 LEU 22 HB3 LEU 22 15.292 18.459 0.957 185 HG LEU 22 HG LEU 22 17.276 17.025 1.580 186 HD11 LEU 22 HD11 LEU 22 16.115 15.134 -0.501 187 HD12 LEU 22 HD12 LEU 22 17.787 15.059 0.103 188 HD13 LEU 22 HD13 LEU 22 16.439 14.781 1.215 189 HD21 LEU 22 HD21 LEU 22 18.421 17.268 -0.553 190 HD22 LEU 22 HD22 LEU 22 16.873 17.415 -1.408 191 HD23 LEU 22 HD23 LEU 22 17.376 18.680 -0.266 192 H GLU 23 H GLU 23 13.738 18.849 3.413 193 HA GLU 23 HA GLU 23 15.124 18.292 5.946 194 HB2 GLU 23 HB2 GLU 23 16.872 19.357 4.689 195 HB3 GLU 23 HB3 GLU 23 15.816 20.678 4.191 196 HG2 GLU 23 HG2 GLU 23 15.724 21.571 6.434 197 HG3 GLU 23 HG3 GLU 23 16.530 20.145 7.090 198 H VAL 24 H VAL 24 14.270 19.396 7.715 199 HA VAL 24 HA VAL 24 12.267 21.532 7.320 200 HB VAL 24 HB VAL 24 10.879 19.593 7.325 201 HG11 VAL 24 HG11 VAL 24 12.126 18.784 9.967 202 HG12 VAL 24 HG12 VAL 24 10.683 18.057 9.214 203 HG13 VAL 24 HG13 VAL 24 12.243 17.937 8.397 204 HG21 VAL 24 HG21 VAL 24 9.355 20.080 9.131 205 HG22 VAL 24 HG22 VAL 24 10.636 20.822 10.107 206 HG23 VAL 24 HG23 VAL 24 10.070 21.616 8.630 207 H ARG 25 H ARG 25 12.154 22.986 9.006 208 HA ARG 25 HA ARG 25 13.886 22.593 11.418 209 HB2 ARG 25 HB2 ARG 25 13.826 25.080 9.646 210 HB3 ARG 25 HB3 ARG 25 14.696 24.895 11.177 211 HG2 ARG 25 HG2 ARG 25 16.094 23.106 10.161 212 HG3 ARG 25 HG3 ARG 25 15.248 23.351 8.607 213 HD2 ARG 25 HD2 ARG 25 15.979 25.755 8.645 214 HD3 ARG 25 HD3 ARG 25 16.943 25.394 10.096 215 HE ARG 25 HE ARG 25 17.587 23.560 7.949 216 HH11 ARG 25 HH11 ARG 25 18.246 26.879 8.867 217 HH12 ARG 25 HH12 ARG 25 19.718 26.910 7.931 218 HH21 ARG 25 HH21 ARG 25 19.352 23.637 6.859 219 HH22 ARG 25 HH22 ARG 25 20.358 25.083 6.780 220 H ALA 26 H ALA 26 13.203 23.496 13.244 221 HA ALA 26 HA ALA 26 10.659 25.031 13.352 222 HB1 ALA 26 HB1 ALA 26 10.988 23.230 15.004 223 HB2 ALA 26 HB2 ALA 26 12.481 24.023 15.566 224 HB3 ALA 26 HB3 ALA 26 10.908 24.827 15.772 225 H GLU 27 H GLU 27 10.944 27.022 12.711 226 HA GLU 27 HA GLU 27 13.432 28.580 13.081 227 HB2 GLU 27 HB2 GLU 27 11.645 28.425 11.013 228 HB3 GLU 27 HB3 GLU 27 10.981 29.801 11.899 229 HG2 GLU 27 HG2 GLU 27 13.279 30.847 11.813 230 HG3 GLU 27 HG3 GLU 27 13.851 29.446 10.909 231 H GLY 28 H GLY 28 12.740 31.082 13.590 232 HA2 GLY 28 HA2 GLY 28 11.950 31.235 16.365 233 HA3 GLY 28 HA3 GLY 28 12.260 32.576 15.272 234 H GLY 29 H GLY 29 9.858 30.169 16.215 235 HA2 GLY 29 HA2 GLY 29 7.602 30.523 16.768 236 HA3 GLY 29 HA3 GLY 29 7.637 32.115 16.004 237 H ALA 30 H ALA 30 8.819 29.331 14.184 238 HA ALA 30 HA ALA 30 6.253 28.763 12.879 239 HB1 ALA 30 HB1 ALA 30 8.591 29.936 11.276 240 HB2 ALA 30 HB2 ALA 30 7.050 29.368 10.616 241 HB3 ALA 30 HB3 ALA 30 7.085 30.803 11.651 242 H VAL 31 H VAL 31 6.397 26.967 11.389 243 HA VAL 31 HA VAL 31 8.968 25.400 11.490 244 HB VAL 31 HB VAL 31 6.195 24.432 10.760 245 HG11 VAL 31 HG11 VAL 31 7.338 22.194 10.498 246 HG12 VAL 31 HG12 VAL 31 7.755 23.321 9.209 247 HG13 VAL 31 HG13 VAL 31 8.901 23.012 10.540 248 HG21 VAL 31 HG21 VAL 31 6.795 24.585 13.182 249 HG22 VAL 31 HG22 VAL 31 6.581 22.913 12.670 250 HG23 VAL 31 HG23 VAL 31 8.216 23.565 12.894 251 H ARG 32 H ARG 32 10.024 24.962 9.619 252 HA ARG 32 HA ARG 32 9.029 26.119 7.033 253 HB2 ARG 32 HB2 ARG 32 10.470 27.736 8.283 254 HB3 ARG 32 HB3 ARG 32 11.779 26.563 8.255 255 HG2 ARG 32 HG2 ARG 32 11.817 26.647 5.765 256 HG3 ARG 32 HG3 ARG 32 10.450 27.792 5.801 257 HD2 ARG 32 HD2 ARG 32 11.751 29.440 6.985 258 HD3 ARG 32 HD3 ARG 32 13.086 28.301 7.225 259 HE ARG 32 HE ARG 32 12.784 28.469 4.442 260 HH11 ARG 32 HH11 ARG 32 13.599 30.761 7.009 261 HH12 ARG 32 HH12 ARG 32 14.548 31.732 5.907 262 HH21 ARG 32 HH21 ARG 32 13.929 29.655 3.199 263 HH22 ARG 32 HH22 ARG 32 14.741 31.133 3.718 264 H VAL 33 H VAL 33 9.353 24.842 5.321 265 HA VAL 33 HA VAL 33 11.039 22.373 5.637 266 HB VAL 33 HB VAL 33 9.475 21.157 4.228 267 HG11 VAL 33 HG11 VAL 33 9.138 20.973 6.618 268 HG12 VAL 33 HG12 VAL 33 8.097 22.417 6.643 269 HG13 VAL 33 HG13 VAL 33 7.577 20.946 5.791 270 HG21 VAL 33 HG21 VAL 33 7.235 22.005 3.717 271 HG22 VAL 33 HG22 VAL 33 7.653 23.582 4.412 272 HG23 VAL 33 HG23 VAL 33 8.467 23.004 2.930 273 H THR 34 H THR 34 12.071 21.537 3.864 274 HA THR 34 HA THR 34 12.188 23.179 1.362 275 HB THR 34 HB THR 34 14.573 21.917 2.759 276 HG1 THR 34 HG1 THR 34 13.906 23.828 3.752 277 HG21 THR 34 HG21 THR 34 14.344 23.563 0.204 278 HG22 THR 34 HG22 THR 34 15.875 23.207 1.021 279 HG23 THR 34 HG23 THR 34 14.908 21.883 0.360 280 H THR 35 H THR 35 11.589 21.974 -0.317 281 HA THR 35 HA THR 35 11.632 19.015 -0.203 282 HB THR 35 HB THR 35 10.524 19.051 -2.329 283 HG1 THR 35 HG1 THR 35 10.714 21.861 -2.237 284 HG21 THR 35 HG21 THR 35 9.253 21.170 -0.557 285 HG22 THR 35 HG22 THR 35 8.454 20.201 -1.815 286 HG23 THR 35 HG23 THR 35 9.084 19.409 -0.355 287 H LEU 36 H LEU 36 12.621 17.742 -1.919 288 HA LEU 36 HA LEU 36 15.283 18.561 -2.670 289 HB2 LEU 36 HB2 LEU 36 15.379 16.446 -3.871 290 HB3 LEU 36 HB3 LEU 36 14.723 16.290 -2.252 291 HG LEU 36 HG LEU 36 12.358 16.379 -3.454 292 HD11 LEU 36 HD11 LEU 36 14.173 15.389 -5.708 293 HD12 LEU 36 HD12 LEU 36 12.404 15.239 -5.650 294 HD13 LEU 36 HD13 LEU 36 13.145 16.830 -5.755 295 HD21 LEU 36 HD21 LEU 36 14.234 14.002 -3.615 296 HD22 LEU 36 HD22 LEU 36 13.302 14.520 -2.176 297 HD23 LEU 36 HD23 LEU 36 12.455 13.931 -3.623 298 H PHE 37 H PHE 37 12.328 19.499 -4.069 299 HA PHE 37 HA PHE 37 13.400 20.016 -6.755 300 HB2 PHE 37 HB2 PHE 37 10.828 21.006 -5.487 301 HB3 PHE 37 HB3 PHE 37 11.233 20.980 -7.199 302 HD1 PHE 37 HD1 PHE 37 9.613 19.183 -4.556 303 HD2 PHE 37 HD2 PHE 37 11.724 18.637 -8.279 304 HE1 PHE 37 HE1 PHE 37 8.639 16.915 -4.776 305 HE2 PHE 37 HE2 PHE 37 10.707 16.376 -8.511 306 HZ PHE 37 HZ PHE 37 9.181 15.509 -6.749 307 H ASP 38 H ASP 38 14.141 21.358 -3.899 308 HA ASP 38 HA ASP 38 14.941 23.256 -3.074 309 HB2 ASP 38 HB2 ASP 38 15.145 24.378 -5.871 310 HB3 ASP 38 HB3 ASP 38 15.967 24.955 -4.439 311 H GLU 39 H GLU 39 11.950 22.981 -3.930 312 HA GLU 39 HA GLU 39 11.059 25.764 -3.560 313 HB2 GLU 39 HB2 GLU 39 9.750 24.363 -5.071 314 HB3 GLU 39 HB3 GLU 39 9.552 23.147 -3.812 315 HG2 GLU 39 HG2 GLU 39 7.503 24.272 -4.017 316 HG3 GLU 39 HG3 GLU 39 8.189 24.759 -2.479 317 H GLU 40 H GLU 40 10.141 26.587 -1.721 318 HA GLU 40 HA GLU 40 10.352 24.989 0.794 319 HB2 GLU 40 HB2 GLU 40 11.087 27.911 0.377 320 HB3 GLU 40 HB3 GLU 40 10.935 27.106 1.948 321 HG2 GLU 40 HG2 GLU 40 12.747 25.530 1.305 322 HG3 GLU 40 HG3 GLU 40 12.918 26.347 -0.243 323 H HIS 41 H HIS 41 8.966 25.487 2.455 324 HA HIS 41 HA HIS 41 6.763 27.423 2.033 325 HB2 HIS 41 HB2 HIS 41 6.192 24.578 2.925 326 HB3 HIS 41 HB3 HIS 41 5.032 25.878 2.745 327 HD2 HIS 41 HD2 HIS 41 6.777 23.134 0.820 328 HE1 HIS 41 HE1 HIS 41 4.502 25.262 -2.098 329 HE2 HIS 41 HE2 HIS 41 5.879 23.164 -1.662 330 H ALA 42 H ALA 42 5.790 28.130 4.028 331 HA ALA 42 HA ALA 42 7.136 27.316 6.527 332 HB1 ALA 42 HB1 ALA 42 8.465 29.192 5.607 333 HB2 ALA 42 HB2 ALA 42 7.001 30.211 5.565 334 HB3 ALA 42 HB3 ALA 42 7.650 29.634 7.117 335 H PHE 43 H PHE 43 6.014 27.612 8.364 336 HA PHE 43 HA PHE 43 3.135 28.415 8.206 337 HB2 PHE 43 HB2 PHE 43 4.241 25.806 9.282 338 HB3 PHE 43 HB3 PHE 43 2.557 26.333 9.319 339 HD1 PHE 43 HD1 PHE 43 5.180 24.798 7.325 340 HD2 PHE 43 HD2 PHE 43 1.297 26.658 7.136 341 HE1 PHE 43 HE1 PHE 43 4.866 23.910 5.022 342 HE2 PHE 43 HE2 PHE 43 0.975 25.760 4.839 343 HZ PHE 43 HZ PHE 43 2.756 24.410 3.774 344 HA PRO 44 HA PRO 44 4.914 30.397 11.955 345 HB2 PRO 44 HB2 PRO 44 2.486 32.092 11.440 346 HB3 PRO 44 HB3 PRO 44 4.124 32.592 11.972 347 HG2 PRO 44 HG2 PRO 44 3.384 32.929 9.392 348 HG3 PRO 44 HG3 PRO 44 5.006 32.263 9.763 349 HD2 PRO 44 HD2 PRO 44 2.479 30.745 9.020 350 HD3 PRO 44 HD3 PRO 44 4.127 30.576 8.351 351 H GLY 45 H GLY 45 4.341 30.274 14.061 352 HA2 GLY 45 HA2 GLY 45 3.046 29.918 15.966 353 HA3 GLY 45 HA3 GLY 45 1.617 29.638 14.963 354 H LEU 46 H LEU 46 4.096 27.664 13.788 355 HA LEU 46 HA LEU 46 3.204 25.343 15.421 356 HB2 LEU 46 HB2 LEU 46 4.359 25.351 12.616 357 HB3 LEU 46 HB3 LEU 46 3.826 23.945 13.514 358 HG LEU 46 HG LEU 46 2.056 26.179 12.456 359 HD11 LEU 46 HD11 LEU 46 2.145 23.191 11.823 360 HD12 LEU 46 HD12 LEU 46 1.159 24.447 11.019 361 HD13 LEU 46 HD13 LEU 46 2.918 24.451 10.848 362 HD21 LEU 46 HD21 LEU 46 1.074 25.441 14.558 363 HD22 LEU 46 HD22 LEU 46 0.151 24.751 13.222 364 HD23 LEU 46 HD23 LEU 46 1.306 23.725 14.114 365 H ALA 47 H ALA 47 4.677 23.640 15.758 366 HA ALA 47 HA ALA 47 7.571 24.055 15.417 367 HB1 ALA 47 HB1 ALA 47 8.042 23.262 17.706 368 HB2 ALA 47 HB2 ALA 47 7.139 24.789 17.718 369 HB3 ALA 47 HB3 ALA 47 6.301 23.253 18.070 370 H ILE 48 H ILE 48 8.749 21.951 15.508 371 HA ILE 48 HA ILE 48 7.263 19.820 14.208 372 HB ILE 48 HB ILE 48 10.072 19.787 15.358 373 HG12 ILE 48 HG12 ILE 48 9.392 19.992 12.395 374 HG13 ILE 48 HG13 ILE 48 9.578 21.435 13.383 375 HG21 ILE 48 HG21 ILE 48 10.350 17.785 13.822 376 HG22 ILE 48 HG22 ILE 48 9.193 17.499 15.110 377 HG23 ILE 48 HG23 ILE 48 8.618 17.857 13.466 378 HD11 ILE 48 HD11 ILE 48 11.867 20.743 14.020 379 HD12 ILE 48 HD12 ILE 48 11.729 19.337 12.941 380 HD13 ILE 48 HD13 ILE 48 11.679 20.970 12.271 381 H GLY 49 H GLY 49 5.989 18.359 15.202 382 HA2 GLY 49 HA2 GLY 49 5.952 18.286 18.163 383 HA3 GLY 49 HA3 GLY 49 4.681 17.774 17.055 384 H ARG 50 H ARG 50 5.873 15.928 15.443 385 HA ARG 50 HA ARG 50 7.122 13.828 17.118 386 HB2 ARG 50 HB2 ARG 50 4.786 13.620 17.708 387 HB3 ARG 50 HB3 ARG 50 4.289 13.713 16.027 388 HG2 ARG 50 HG2 ARG 50 5.244 11.509 15.536 389 HG3 ARG 50 HG3 ARG 50 5.903 11.397 17.180 390 HD2 ARG 50 HD2 ARG 50 3.604 11.530 18.108 391 HD3 ARG 50 HD3 ARG 50 2.931 11.664 16.494 392 HE ARG 50 HE ARG 50 4.039 9.254 17.804 393 HH11 ARG 50 HH11 ARG 50 3.849 7.265 16.838 394 HH12 ARG 50 HH12 ARG 50 3.360 7.184 15.152 395 HH21 ARG 50 HH21 ARG 50 2.810 10.507 14.733 396 HH22 ARG 50 HH22 ARG 50 2.692 8.886 14.074 397 H VAL 51 H VAL 51 8.280 12.348 15.967 398 HA VAL 51 HA VAL 51 7.871 12.271 13.002 399 HB VAL 51 HB VAL 51 10.547 11.805 14.325 400 HG11 VAL 51 HG11 VAL 51 10.296 10.613 12.234 401 HG12 VAL 51 HG12 VAL 51 9.683 12.050 11.422 402 HG13 VAL 51 HG13 VAL 51 11.370 11.986 11.979 403 HG21 VAL 51 HG21 VAL 51 11.248 13.964 13.311 404 HG22 VAL 51 HG22 VAL 51 9.544 14.299 12.886 405 HG23 VAL 51 HG23 VAL 51 10.048 14.182 14.579 406 H ASP 52 H ASP 52 7.478 10.315 12.171 407 HA ASP 52 HA ASP 52 7.675 7.890 13.929 408 HB2 ASP 52 HB2 ASP 52 5.431 8.893 13.912 409 HB3 ASP 52 HB3 ASP 52 5.348 8.735 12.151 410 H LEU 53 H LEU 53 9.397 6.963 12.973 411 HA LEU 53 HA LEU 53 9.974 7.228 10.153 412 HB2 LEU 53 HB2 LEU 53 11.281 5.550 12.339 413 HB3 LEU 53 HB3 LEU 53 11.917 5.797 10.725 414 HG LEU 53 HG LEU 53 13.166 7.144 12.152 415 HD11 LEU 53 HD11 LEU 53 12.883 9.380 11.243 416 HD12 LEU 53 HD12 LEU 53 12.586 8.167 9.980 417 HD13 LEU 53 HD13 LEU 53 11.229 9.019 10.739 418 HD21 LEU 53 HD21 LEU 53 11.585 7.328 14.049 419 HD22 LEU 53 HD22 LEU 53 12.422 8.836 13.639 420 HD23 LEU 53 HD23 LEU 53 10.729 8.615 13.176 421 H ARG 54 H ARG 54 8.123 4.910 11.843 422 HA ARG 54 HA ARG 54 8.438 2.631 10.060 423 HB2 ARG 54 HB2 ARG 54 6.149 3.510 11.858 424 HB3 ARG 54 HB3 ARG 54 6.232 1.942 11.087 425 HG2 ARG 54 HG2 ARG 54 8.120 1.228 12.357 426 HG3 ARG 54 HG3 ARG 54 8.475 2.858 12.938 427 HD2 ARG 54 HD2 ARG 54 5.995 1.270 13.697 428 HD3 ARG 54 HD3 ARG 54 7.451 1.480 14.692 429 HE ARG 54 HE ARG 54 6.236 3.997 13.770 430 HH11 ARG 54 HH11 ARG 54 6.251 1.786 16.542 431 HH12 ARG 54 HH12 ARG 54 5.609 3.053 17.562 432 HH21 ARG 54 HH21 ARG 54 5.501 5.360 14.998 433 HH22 ARG 54 HH22 ARG 54 5.271 5.139 16.733 434 H SER 55 H SER 55 6.649 5.624 9.849 435 HA SER 55 HA SER 55 5.481 4.794 7.213 436 HB2 SER 55 HB2 SER 55 4.322 6.728 9.246 437 HB3 SER 55 HB3 SER 55 3.616 6.331 7.667 438 HG SER 55 HG SER 55 2.662 5.117 9.381 439 H GLY 56 H GLY 56 7.711 6.903 8.667 440 HA2 GLY 56 HA2 GLY 56 9.067 8.523 7.757 441 HA3 GLY 56 HA3 GLY 56 8.244 8.344 6.202 442 H VAL 57 H VAL 57 6.419 9.067 9.129 443 HA VAL 57 HA VAL 57 5.497 11.596 7.874 444 HB VAL 57 HB VAL 57 4.320 9.960 10.132 445 HG11 VAL 57 HG11 VAL 57 3.232 12.445 8.733 446 HG12 VAL 57 HG12 VAL 57 2.302 11.393 9.825 447 HG13 VAL 57 HG13 VAL 57 3.676 12.298 10.453 448 HG21 VAL 57 HG21 VAL 57 3.360 10.393 7.264 449 HG22 VAL 57 HG22 VAL 57 4.116 8.896 7.872 450 HG23 VAL 57 HG23 VAL 57 2.554 9.422 8.507 451 H ILE 58 H ILE 58 5.784 13.538 8.668 452 HA ILE 58 HA ILE 58 6.956 13.988 11.385 453 HB ILE 58 HB ILE 58 7.357 15.475 8.781 454 HG12 ILE 58 HG12 ILE 58 9.334 14.086 10.631 455 HG13 ILE 58 HG13 ILE 58 8.740 13.441 9.107 456 HG21 ILE 58 HG21 ILE 58 8.255 16.280 11.592 457 HG22 ILE 58 HG22 ILE 58 8.767 17.083 10.090 458 HG23 ILE 58 HG23 ILE 58 7.090 17.153 10.569 459 HD11 ILE 58 HD11 ILE 58 10.578 15.810 9.492 460 HD12 ILE 58 HD12 ILE 58 10.901 14.270 8.683 461 HD13 ILE 58 HD13 ILE 58 9.778 15.438 7.940 462 H SER 59 H SER 59 5.231 14.404 12.624 463 HA SER 59 HA SER 59 2.926 15.990 11.595 464 HB2 SER 59 HB2 SER 59 3.278 14.610 14.274 465 HB3 SER 59 HB3 SER 59 1.811 15.392 13.669 466 HG SER 59 HG SER 59 1.646 13.210 13.292 467 H LEU 60 H LEU 60 2.697 18.090 11.987 468 HA LEU 60 HA LEU 60 4.497 19.444 13.933 469 HB2 LEU 60 HB2 LEU 60 2.549 20.686 11.970 470 HB3 LEU 60 HB3 LEU 60 3.851 21.481 12.872 471 HG LEU 60 HG LEU 60 4.132 19.520 10.552 472 HD11 LEU 60 HD11 LEU 60 5.205 21.440 9.459 473 HD12 LEU 60 HD12 LEU 60 3.568 21.834 9.965 474 HD13 LEU 60 HD13 LEU 60 4.931 22.426 10.909 475 HD21 LEU 60 HD21 LEU 60 6.585 19.895 10.730 476 HD22 LEU 60 HD22 LEU 60 6.331 20.717 12.287 477 HD23 LEU 60 HD23 LEU 60 5.949 18.998 12.103 478 H ILE 61 H ILE 61 3.740 20.943 15.451 479 HA ILE 61 HA ILE 61 0.900 20.773 16.320 480 HB ILE 61 HB ILE 61 1.586 20.547 18.680 481 HG12 ILE 61 HG12 ILE 61 3.892 19.346 19.015 482 HG13 ILE 61 HG13 ILE 61 4.393 20.200 17.567 483 HG21 ILE 61 HG21 ILE 61 2.449 18.206 16.947 484 HG22 ILE 61 HG22 ILE 61 1.907 18.152 18.642 485 HG23 ILE 61 HG23 ILE 61 0.777 18.639 17.373 486 HD11 ILE 61 HD11 ILE 61 3.288 21.491 20.105 487 HD12 ILE 61 HD12 ILE 61 5.004 21.323 19.697 488 HD13 ILE 61 HD13 ILE 61 3.971 22.353 18.712 489 H GLU 62 H GLU 62 0.310 22.532 17.866 490 HA GLU 62 HA GLU 62 1.364 25.069 16.919 491 HB2 GLU 62 HB2 GLU 62 -0.630 24.439 19.133 492 HB3 GLU 62 HB3 GLU 62 -0.204 26.062 18.550 493 HG2 GLU 62 HG2 GLU 62 -0.993 25.475 16.276 494 HG3 GLU 62 HG3 GLU 62 -1.431 23.860 16.841 495 H GLU 63 H GLU 63 2.776 26.452 17.832 496 HA GLU 63 HA GLU 63 4.505 25.452 19.952 497 HB2 GLU 63 HB2 GLU 63 5.915 27.279 19.444 498 HB3 GLU 63 HB3 GLU 63 5.275 26.656 17.953 499 HG2 GLU 63 HG2 GLU 63 5.018 28.837 17.462 500 HG3 GLU 63 HG3 GLU 63 3.464 28.594 18.234 501 H GLN 64 H GLN 64 1.706 27.454 19.969 502 HA GLN 64 HA GLN 64 2.082 28.178 22.838 503 HB2 GLN 64 HB2 GLN 64 0.126 29.141 20.742 504 HB3 GLN 64 HB3 GLN 64 -0.060 29.495 22.468 505 HG2 GLN 64 HG2 GLN 64 1.878 30.831 22.549 506 HG3 GLN 64 HG3 GLN 64 2.550 30.139 21.094 507 HE21 GLN 64 HE21 GLN 64 2.719 31.748 19.586 508 HE22 GLN 64 HE22 GLN 64 1.417 32.892 19.222 509 H ASN 65 H ASN 65 0.834 27.228 24.392 510 HA ASN 65 HA ASN 65 -1.105 25.114 23.572 511 HB2 ASN 65 HB2 ASN 65 1.027 24.961 25.728 512 HB3 ASN 65 HB3 ASN 65 -0.196 23.731 25.407 513 HD21 ASN 65 HD21 ASN 65 0.333 24.371 22.314 514 HD22 ASN 65 HD22 ASN 65 1.776 23.427 22.039 515 H ARG 66 H ARG 66 -1.277 28.005 24.863 516 HA ARG 66 HA ARG 66 -3.675 27.402 26.412 517 HB2 ARG 66 HB2 ARG 66 -3.047 28.614 28.407 518 HB3 ARG 66 HB3 ARG 66 -1.992 27.230 28.179 519 HG2 ARG 66 HG2 ARG 66 -0.209 28.729 27.294 520 HG3 ARG 66 HG3 ARG 66 -1.257 30.133 27.550 521 HD2 ARG 66 HD2 ARG 66 -0.320 28.225 29.724 522 HD3 ARG 66 HD3 ARG 66 0.424 29.784 29.358 523 HE ARG 66 HE ARG 66 -2.263 30.377 29.803 524 HH11 ARG 66 HH11 ARG 66 0.303 29.014 31.772 525 HH12 ARG 66 HH12 ARG 66 -0.439 29.554 33.250 526 HH21 ARG 66 HH21 ARG 66 -2.342 30.647 33.221 527 HH22 ARG 66 HH22 ARG 66 -3.136 31.022 31.718 528 H1 GLY -3 H1 GLY -3 19.815 -13.534 13.243 529 H2 GLY -3 H2 GLY -3 19.837 -11.982 12.726 530 H3 GLY -3 H3 GLY -3 18.416 -12.683 13.146 531 HA2 GLY -3 HA2 GLY -3 19.133 -12.876 15.440 532 HA3 GLY -3 HA3 GLY -3 20.644 -12.084 14.982 533 HA PRO -2 HA PRO -2 17.450 -8.866 16.325 534 HB2 PRO -2 HB2 PRO -2 18.741 -7.902 18.535 535 HB3 PRO -2 HB3 PRO -2 17.688 -9.343 18.586 536 HG2 PRO -2 HG2 PRO -2 20.708 -9.258 18.323 537 HG3 PRO -2 HG3 PRO -2 19.720 -10.218 19.470 538 HD2 PRO -2 HD2 PRO -2 20.650 -11.287 17.145 539 HD3 PRO -2 HD3 PRO -2 19.027 -11.710 17.756 540 H GLY -1 H GLY -1 17.779 -6.512 16.425 541 HA2 GLY -1 HA2 GLY -1 18.780 -4.506 15.863 542 HA3 GLY -1 HA3 GLY -1 20.341 -5.315 15.742 543 H SER 0 H SER 0 17.789 -6.628 13.784 544 HA SER 0 HA SER 0 19.060 -5.922 11.282 545 HB2 SER 0 HB2 SER 0 17.788 -8.020 11.665 546 HB3 SER 0 HB3 SER 0 16.294 -7.075 11.797 547 HG SER 0 HG SER 0 16.624 -7.933 9.684 548 H MET 1 H MET 1 18.171 -4.715 9.589 549 HA MET 1 HA MET 1 17.734 -2.763 8.647 550 HB2 MET 1 HB2 MET 1 15.529 -2.059 8.467 551 HB3 MET 1 HB3 MET 1 15.485 -3.794 8.679 552 HG2 MET 1 HG2 MET 1 14.636 -3.605 10.897 553 HG3 MET 1 HG3 MET 1 15.057 -1.892 11.004 554 HE1 MET 1 HE1 MET 1 11.491 -3.653 8.604 555 HE2 MET 1 HE2 MET 1 13.166 -3.905 8.072 556 HE3 MET 1 HE3 MET 1 12.611 -4.600 9.613 557 H CYS 2 H CYS 2 16.861 -0.410 8.894 558 HA CYS 2 HA CYS 2 17.752 0.909 11.370 559 HB2 CYS 2 HB2 CYS 2 19.839 0.445 10.088 560 HB3 CYS 2 HB3 CYS 2 19.165 1.301 8.686 561 HG CYS 2 HG CYS 2 19.859 2.406 11.736 562 H MET 3 H MET 3 17.149 3.112 11.472 563 HA MET 3 HA MET 3 15.122 4.042 9.470 564 HB2 MET 3 HB2 MET 3 14.842 3.917 12.486 565 HB3 MET 3 HB3 MET 3 13.855 4.935 11.448 566 HG2 MET 3 HG2 MET 3 12.511 3.093 11.738 567 HG3 MET 3 HG3 MET 3 13.198 2.857 10.144 568 HE1 MET 3 HE1 MET 3 15.252 1.818 13.631 569 HE2 MET 3 HE2 MET 3 13.535 2.195 13.876 570 HE3 MET 3 HE3 MET 3 14.092 0.523 14.014 571 H ALA 4 H ALA 4 16.143 5.605 12.518 572 HA ALA 4 HA ALA 4 17.669 7.680 11.081 573 HB1 ALA 4 HB1 ALA 4 15.120 8.299 12.643 574 HB2 ALA 4 HB2 ALA 4 16.220 9.489 11.916 575 HB3 ALA 4 HB3 ALA 4 15.302 8.388 10.873 576 H LYS 5 H LYS 5 18.721 9.171 12.486 577 HA LYS 5 HA LYS 5 19.274 8.167 15.254 578 HB2 LYS 5 HB2 LYS 5 21.217 8.296 13.754 579 HB3 LYS 5 HB3 LYS 5 20.893 10.011 13.454 580 HG2 LYS 5 HG2 LYS 5 21.300 10.523 15.848 581 HG3 LYS 5 HG3 LYS 5 21.521 8.805 16.184 582 HD2 LYS 5 HD2 LYS 5 23.664 9.872 16.077 583 HD3 LYS 5 HD3 LYS 5 23.521 8.762 14.707 584 HE2 LYS 5 HE2 LYS 5 23.024 10.663 13.209 585 HE3 LYS 5 HE3 LYS 5 23.028 11.775 14.585 586 HZ1 LYS 5 HZ1 LYS 5 25.383 10.230 13.664 587 HZ2 LYS 5 HZ2 LYS 5 25.156 11.830 13.434 588 HZ3 LYS 5 HZ3 LYS 5 25.370 11.246 14.955 589 H VAL 6 H VAL 6 18.734 9.352 16.964 590 HA VAL 6 HA VAL 6 17.851 12.205 16.666 591 HB VAL 6 HB VAL 6 17.179 10.063 18.649 592 HG11 VAL 6 HG11 VAL 6 16.113 11.754 20.124 593 HG12 VAL 6 HG12 VAL 6 17.878 11.838 20.148 594 HG13 VAL 6 HG13 VAL 6 16.943 13.029 19.212 595 HG21 VAL 6 HG21 VAL 6 14.912 10.798 18.227 596 HG22 VAL 6 HG22 VAL 6 15.488 12.211 17.331 597 HG23 VAL 6 HG23 VAL 6 15.718 10.579 16.663 598 H VAL 7 H VAL 7 19.038 13.810 17.611 599 HA VAL 7 HA VAL 7 21.281 13.114 19.418 600 HB VAL 7 HB VAL 7 22.277 13.096 17.242 601 HG11 VAL 7 HG11 VAL 7 22.422 15.080 15.793 602 HG12 VAL 7 HG12 VAL 7 20.750 14.526 15.945 603 HG13 VAL 7 HG13 VAL 7 21.295 15.958 16.848 604 HG21 VAL 7 HG21 VAL 7 23.091 15.704 18.600 605 HG22 VAL 7 HG22 VAL 7 23.563 14.080 19.146 606 HG23 VAL 7 HG23 VAL 7 24.073 14.659 17.552 607 H LEU 8 H LEU 8 21.848 14.568 20.919 608 HA LEU 8 HA LEU 8 20.602 17.252 20.979 609 HB2 LEU 8 HB2 LEU 8 19.653 16.965 23.178 610 HB3 LEU 8 HB3 LEU 8 19.028 15.758 22.093 611 HG LEU 8 HG LEU 8 21.052 14.294 23.150 612 HD11 LEU 8 HD11 LEU 8 21.092 14.673 25.605 613 HD12 LEU 8 HD12 LEU 8 21.787 16.047 24.749 614 HD13 LEU 8 HD13 LEU 8 20.144 16.156 25.404 615 HD21 LEU 8 HD21 LEU 8 19.395 13.292 24.652 616 HD22 LEU 8 HD22 LEU 8 18.319 14.688 24.422 617 HD23 LEU 8 HD23 LEU 8 18.702 13.608 23.055 618 H THR 9 H THR 9 21.527 18.714 22.512 619 HA THR 9 HA THR 9 24.292 18.032 23.417 620 HB THR 9 HB THR 9 23.195 20.825 22.957 621 HG1 THR 9 HG1 THR 9 23.276 19.742 21.006 622 HG21 THR 9 HG21 THR 9 25.188 20.707 24.440 623 HG22 THR 9 HG22 THR 9 26.031 19.732 23.224 624 HG23 THR 9 HG23 THR 9 25.599 21.418 22.874 625 H LYS 10 H LYS 10 24.778 18.107 25.489 626 HA LYS 10 HA LYS 10 22.682 18.399 27.538 627 HB2 LYS 10 HB2 LYS 10 25.632 17.660 27.636 628 HB3 LYS 10 HB3 LYS 10 24.567 17.665 29.043 629 HG2 LYS 10 HG2 LYS 10 23.132 15.956 27.928 630 HG3 LYS 10 HG3 LYS 10 24.318 15.845 26.616 631 HD2 LYS 10 HD2 LYS 10 24.961 15.394 29.572 632 HD3 LYS 10 HD3 LYS 10 24.550 14.081 28.460 633 HE2 LYS 10 HE2 LYS 10 26.525 14.339 27.185 634 HE3 LYS 10 HE3 LYS 10 26.802 15.984 27.766 635 HZ1 LYS 10 HZ1 LYS 10 28.281 14.329 28.799 636 HZ2 LYS 10 HZ2 LYS 10 27.433 15.198 29.887 637 HZ3 LYS 10 HZ3 LYS 10 27.010 13.635 29.546 638 H ALA 11 H ALA 11 23.061 19.601 29.510 639 HA ALA 11 HA ALA 11 23.791 22.351 29.140 640 HB1 ALA 11 HB1 ALA 11 22.093 21.589 30.732 641 HB2 ALA 11 HB2 ALA 11 23.334 20.726 31.678 642 HB3 ALA 11 HB3 ALA 11 23.361 22.505 31.563 643 H ASP 12 H ASP 12 25.748 19.580 30.120 644 HA ASP 12 HA ASP 12 27.971 21.192 31.123 645 HB2 ASP 12 HB2 ASP 12 29.091 19.111 31.469 646 HB3 ASP 12 HB3 ASP 12 27.441 19.008 32.090 647 H GLY 13 H GLY 13 26.874 20.828 28.031 648 HA2 GLY 13 HA2 GLY 13 27.877 21.664 26.091 649 HA3 GLY 13 HA3 GLY 13 29.468 21.582 26.843 650 H GLY 14 H GLY 14 28.320 18.557 27.457 651 HA2 GLY 14 HA2 GLY 14 29.602 17.267 25.158 652 HA3 GLY 14 HA3 GLY 14 28.812 16.482 26.516 653 H ARG 15 H ARG 15 28.335 15.325 24.195 654 HA ARG 15 HA ARG 15 25.494 16.004 23.530 655 HB2 ARG 15 HB2 ARG 15 27.765 15.458 21.587 656 HB3 ARG 15 HB3 ARG 15 26.074 15.175 21.145 657 HG2 ARG 15 HG2 ARG 15 25.499 17.488 21.699 658 HG3 ARG 15 HG3 ARG 15 27.191 17.843 22.113 659 HD2 ARG 15 HD2 ARG 15 27.887 17.520 19.836 660 HD3 ARG 15 HD3 ARG 15 26.282 16.885 19.368 661 HE ARG 15 HE ARG 15 25.652 19.329 20.407 662 HH11 ARG 15 HH11 ARG 15 27.859 18.454 17.812 663 HH12 ARG 15 HH12 ARG 15 27.606 19.975 16.989 664 HH21 ARG 15 HH21 ARG 15 25.405 21.192 19.354 665 HH22 ARG 15 HH22 ARG 15 26.252 21.508 17.858 666 H VAL 16 H VAL 16 24.179 14.390 22.837 667 HA VAL 16 HA VAL 16 24.964 11.571 23.470 668 HB VAL 16 HB VAL 16 22.436 13.002 24.370 669 HG11 VAL 16 HG11 VAL 16 21.841 10.881 25.492 670 HG12 VAL 16 HG12 VAL 16 21.846 10.707 23.743 671 HG13 VAL 16 HG13 VAL 16 23.215 10.082 24.694 672 HG21 VAL 16 HG21 VAL 16 23.202 12.465 26.650 673 HG22 VAL 16 HG22 VAL 16 24.697 11.765 25.988 674 HG23 VAL 16 HG23 VAL 16 24.365 13.499 25.811 675 H GLU 17 H GLU 17 24.164 10.059 22.124 676 HA GLU 17 HA GLU 17 22.402 10.892 19.860 677 HB2 GLU 17 HB2 GLU 17 25.001 9.310 19.728 678 HB3 GLU 17 HB3 GLU 17 23.831 9.411 18.407 679 HG2 GLU 17 HG2 GLU 17 24.100 11.843 18.308 680 HG3 GLU 17 HG3 GLU 17 25.275 11.805 19.628 681 H ILE 18 H ILE 18 20.925 9.443 19.190 682 HA ILE 18 HA ILE 18 20.825 6.706 20.404 683 HB ILE 18 HB ILE 18 18.568 8.729 20.167 684 HG12 ILE 18 HG12 ILE 18 19.660 7.350 22.665 685 HG13 ILE 18 HG13 ILE 18 20.156 8.969 22.160 686 HG21 ILE 18 HG21 ILE 18 17.776 6.438 19.593 687 HG22 ILE 18 HG22 ILE 18 18.457 5.826 21.113 688 HG23 ILE 18 HG23 ILE 18 17.104 6.977 21.120 689 HD11 ILE 18 HD11 ILE 18 17.350 8.197 22.966 690 HD12 ILE 18 HD12 ILE 18 18.513 9.193 23.850 691 HD13 ILE 18 HD13 ILE 18 17.840 9.782 22.316 692 H GLY 19 H GLY 19 21.081 5.352 18.724 693 HA2 GLY 19 HA2 GLY 19 20.269 6.053 15.976 694 HA3 GLY 19 HA3 GLY 19 21.154 4.625 16.479 695 H ASP 20 H ASP 20 19.232 4.411 14.639 696 HA ASP 20 HA ASP 20 17.400 3.248 13.991 697 HB2 ASP 20 HB2 ASP 20 17.982 1.488 16.372 698 HB3 ASP 20 HB3 ASP 20 17.223 1.057 14.835 699 H VAL 21 H VAL 21 16.523 5.482 15.235 700 HA VAL 21 HA VAL 21 14.524 5.008 17.256 701 HB VAL 21 HB VAL 21 15.000 7.343 15.383 702 HG11 VAL 21 HG11 VAL 21 13.640 8.666 16.995 703 HG12 VAL 21 HG12 VAL 21 12.677 7.475 16.121 704 HG13 VAL 21 HG13 VAL 21 13.155 7.151 17.795 705 HG21 VAL 21 HG21 VAL 21 15.949 8.370 17.424 706 HG22 VAL 21 HG22 VAL 21 15.660 6.869 18.320 707 HG23 VAL 21 HG23 VAL 21 16.831 6.908 16.984 708 H LEU 22 H LEU 22 12.461 4.360 17.113 709 HA LEU 22 HA LEU 22 11.124 4.006 14.469 710 HB2 LEU 22 HB2 LEU 22 10.395 3.176 17.301 711 HB3 LEU 22 HB3 LEU 22 9.351 2.911 15.911 712 HG LEU 22 HG LEU 22 12.145 1.722 16.168 713 HD11 LEU 22 HD11 LEU 22 10.599 0.871 17.904 714 HD12 LEU 22 HD12 LEU 22 9.414 0.454 16.646 715 HD13 LEU 22 HD13 LEU 22 10.980 -0.385 16.707 716 HD21 LEU 22 HD21 LEU 22 9.848 1.012 14.285 717 HD22 LEU 22 HD22 LEU 22 11.294 1.907 13.811 718 HD23 LEU 22 HD23 LEU 22 11.434 0.234 14.351 719 H GLU 23 H GLU 23 10.831 5.859 17.509 720 HA GLU 23 HA GLU 23 9.073 7.802 16.188 721 HB2 GLU 23 HB2 GLU 23 7.497 6.119 16.979 722 HB3 GLU 23 HB3 GLU 23 8.156 6.213 18.615 723 HG2 GLU 23 HG2 GLU 23 7.385 8.528 18.836 724 HG3 GLU 23 HG3 GLU 23 6.886 8.562 17.149 725 H VAL 24 H VAL 24 9.199 9.827 17.045 726 HA VAL 24 HA VAL 24 10.348 10.264 19.733 727 HB VAL 24 HB VAL 24 12.274 10.358 18.298 728 HG11 VAL 24 HG11 VAL 24 11.297 10.908 16.158 729 HG12 VAL 24 HG12 VAL 24 10.918 12.560 16.724 730 HG13 VAL 24 HG13 VAL 24 12.595 12.017 16.579 731 HG21 VAL 24 HG21 VAL 24 11.566 13.211 19.101 732 HG22 VAL 24 HG22 VAL 24 12.156 11.959 20.216 733 HG23 VAL 24 HG23 VAL 24 13.180 12.519 18.892 734 H ARG 25 H ARG 25 9.621 12.101 20.745 735 HA ARG 25 HA ARG 25 7.727 13.892 19.291 736 HB2 ARG 25 HB2 ARG 25 7.173 12.703 22.046 737 HB3 ARG 25 HB3 ARG 25 6.147 13.815 21.134 738 HG2 ARG 25 HG2 ARG 25 5.828 12.031 19.405 739 HG3 ARG 25 HG3 ARG 25 6.764 10.920 20.437 740 HD2 ARG 25 HD2 ARG 25 5.159 11.459 22.317 741 HD3 ARG 25 HD3 ARG 25 4.177 12.349 21.139 742 HE ARG 25 HE ARG 25 4.674 9.680 20.191 743 HH11 ARG 25 HH11 ARG 25 2.756 11.242 22.706 744 HH12 ARG 25 HH12 ARG 25 1.588 9.932 22.693 745 HH21 ARG 25 HH21 ARG 25 3.296 8.149 20.245 746 HH22 ARG 25 HH22 ARG 25 1.878 8.166 21.304 747 H ALA 26 H ALA 26 7.652 15.947 19.961 748 HA ALA 26 HA ALA 26 9.036 16.805 22.465 749 HB1 ALA 26 HB1 ALA 26 9.522 18.164 20.469 750 HB2 ALA 26 HB2 ALA 26 7.791 18.442 20.220 751 HB3 ALA 26 HB3 ALA 26 8.583 19.081 21.679 752 H GLU 27 H GLU 27 7.716 16.414 24.184 753 HA GLU 27 HA GLU 27 4.857 17.144 24.107 754 HB2 GLU 27 HB2 GLU 27 4.903 14.860 23.128 755 HB3 GLU 27 HB3 GLU 27 5.706 14.253 24.582 756 HG2 GLU 27 HG2 GLU 27 3.729 14.979 25.932 757 HG3 GLU 27 HG3 GLU 27 2.951 15.548 24.450 758 H GLY 28 H GLY 28 4.225 17.923 26.031 759 HA2 GLY 28 HA2 GLY 28 4.042 18.285 28.288 760 HA3 GLY 28 HA3 GLY 28 4.930 16.789 28.561 761 H GLY 29 H GLY 29 6.305 19.578 26.834 762 HA2 GLY 29 HA2 GLY 29 7.988 21.078 27.413 763 HA3 GLY 29 HA3 GLY 29 7.778 20.645 29.108 764 H ALA 30 H ALA 30 8.380 18.085 26.848 765 HA ALA 30 HA ALA 30 11.292 17.948 27.329 766 HB1 ALA 30 HB1 ALA 30 11.084 15.689 28.308 767 HB2 ALA 30 HB2 ALA 30 10.132 16.820 29.281 768 HB3 ALA 30 HB3 ALA 30 9.327 15.746 28.111 769 H VAL 31 H VAL 31 12.272 16.150 26.067 770 HA VAL 31 HA VAL 31 10.597 15.286 23.749 771 HB VAL 31 HB VAL 31 13.596 15.508 23.944 772 HG11 VAL 31 HG11 VAL 31 11.951 13.959 21.901 773 HG12 VAL 31 HG12 VAL 31 13.588 14.540 21.601 774 HG13 VAL 31 HG13 VAL 31 13.312 13.356 22.880 775 HG21 VAL 31 HG21 VAL 31 12.118 17.442 23.222 776 HG22 VAL 31 HG22 VAL 31 13.268 16.914 21.985 777 HG23 VAL 31 HG23 VAL 31 11.555 16.458 21.871 778 H ARG 32 H ARG 32 10.115 13.237 23.423 779 HA ARG 32 HA ARG 32 11.237 11.089 25.187 780 HB2 ARG 32 HB2 ARG 32 8.337 11.609 24.421 781 HB3 ARG 32 HB3 ARG 32 8.922 9.979 24.739 782 HG2 ARG 32 HG2 ARG 32 8.003 10.618 26.746 783 HG3 ARG 32 HG3 ARG 32 9.733 10.755 26.990 784 HD2 ARG 32 HD2 ARG 32 9.544 13.246 26.738 785 HD3 ARG 32 HD3 ARG 32 7.791 13.060 26.516 786 HE ARG 32 HE ARG 32 9.041 11.898 28.946 787 HH11 ARG 32 HH11 ARG 32 7.105 14.657 27.828 788 HH12 ARG 32 HH12 ARG 32 6.502 14.908 29.441 789 HH21 ARG 32 HH21 ARG 32 8.206 12.361 30.921 790 HH22 ARG 32 HH22 ARG 32 7.108 13.695 31.105 791 H VAL 33 H VAL 33 11.744 9.166 24.161 792 HA VAL 33 HA VAL 33 11.309 8.909 21.247 793 HB VAL 33 HB VAL 33 13.249 10.318 21.391 794 HG11 VAL 33 HG11 VAL 33 14.130 9.683 23.601 795 HG12 VAL 33 HG12 VAL 33 14.630 8.100 22.930 796 HG13 VAL 33 HG13 VAL 33 15.359 9.616 22.340 797 HG21 VAL 33 HG21 VAL 33 14.810 9.097 20.029 798 HG22 VAL 33 HG22 VAL 33 14.134 7.537 20.543 799 HG23 VAL 33 HG23 VAL 33 13.164 8.679 19.573 800 H THR 34 H THR 34 11.514 6.935 20.381 801 HA THR 34 HA THR 34 11.853 4.567 22.199 802 HB THR 34 HB THR 34 9.779 4.955 20.007 803 HG1 THR 34 HG1 THR 34 9.275 6.137 21.848 804 HG21 THR 34 HG21 THR 34 10.206 2.668 21.989 805 HG22 THR 34 HG22 THR 34 8.776 2.868 20.942 806 HG23 THR 34 HG23 THR 34 10.360 2.588 20.212 807 H THR 35 H THR 35 13.136 2.979 21.433 808 HA THR 35 HA THR 35 14.309 3.273 18.702 809 HB THR 35 HB THR 35 16.190 2.046 19.500 810 HG1 THR 35 HG1 THR 35 14.880 1.867 21.993 811 HG21 THR 35 HG21 THR 35 15.441 4.069 21.652 812 HG22 THR 35 HG22 THR 35 17.070 3.511 21.210 813 HG23 THR 35 HG23 THR 35 16.131 4.458 20.046 814 H LEU 36 H LEU 36 15.002 1.375 17.553 815 HA LEU 36 HA LEU 36 13.300 -0.628 16.809 816 HB2 LEU 36 HB2 LEU 36 15.423 0.001 15.742 817 HB3 LEU 36 HB3 LEU 36 16.330 -0.578 17.127 818 HG LEU 36 HG LEU 36 15.608 -2.919 16.591 819 HD11 LEU 36 HD11 LEU 36 14.618 -1.653 14.000 820 HD12 LEU 36 HD12 LEU 36 14.719 -3.394 14.347 821 HD13 LEU 36 HD13 LEU 36 13.567 -2.382 15.244 822 HD21 LEU 36 HD21 LEU 36 17.140 -3.158 14.706 823 HD22 LEU 36 HD22 LEU 36 17.048 -1.420 14.366 824 HD23 LEU 36 HD23 LEU 36 17.786 -2.004 15.874 825 H PHE 37 H PHE 37 15.394 -0.726 19.653 826 HA PHE 37 HA PHE 37 14.954 -3.569 20.202 827 HB2 PHE 37 HB2 PHE 37 16.423 -1.449 21.804 828 HB3 PHE 37 HB3 PHE 37 16.562 -3.191 21.992 829 HD1 PHE 37 HD1 PHE 37 17.717 -0.286 20.118 830 HD2 PHE 37 HD2 PHE 37 17.566 -4.598 20.141 831 HE1 PHE 37 HE1 PHE 37 19.472 -0.360 18.355 832 HE2 PHE 37 HE2 PHE 37 19.347 -4.668 18.413 833 HZ PHE 37 HZ PHE 37 20.297 -2.546 17.509 834 H ASP 38 H ASP 38 12.857 -1.176 20.577 835 HA ASP 38 HA ASP 38 11.156 -0.573 21.880 836 HB2 ASP 38 HB2 ASP 38 11.369 -3.235 23.297 837 HB3 ASP 38 HB3 ASP 38 9.992 -2.144 23.293 838 H GLU 39 H GLU 39 14.098 -0.313 22.902 839 HA GLU 39 HA GLU 39 13.650 0.415 25.718 840 HB2 GLU 39 HB2 GLU 39 15.847 -0.432 24.961 841 HB3 GLU 39 HB3 GLU 39 16.015 0.953 23.876 842 HG2 GLU 39 HG2 GLU 39 16.060 2.501 25.766 843 HG3 GLU 39 HG3 GLU 39 15.636 1.201 26.887 844 H GLU 40 H GLU 40 13.390 2.483 26.505 845 HA GLU 40 HA GLU 40 12.797 4.664 24.543 846 HB2 GLU 40 HB2 GLU 40 11.242 3.931 27.046 847 HB3 GLU 40 HB3 GLU 40 11.002 5.400 26.088 848 HG2 GLU 40 HG2 GLU 40 10.371 4.066 24.132 849 HG3 GLU 40 HG3 GLU 40 10.688 2.566 25.011 850 H HIS 41 H HIS 41 13.117 6.767 25.220 851 HA HIS 41 HA HIS 41 14.657 7.280 27.719 852 HB2 HIS 41 HB2 HIS 41 15.576 8.345 25.045 853 HB3 HIS 41 HB3 HIS 41 16.366 8.512 26.602 854 HD2 HIS 41 HD2 HIS 41 15.995 6.138 23.648 855 HE1 HIS 41 HE1 HIS 41 18.720 4.234 26.323 856 HE2 HIS 41 HE2 HIS 41 17.684 4.135 24.007 857 H ALA 42 H ALA 42 14.712 9.536 28.339 858 HA ALA 42 HA ALA 42 12.836 11.361 26.995 859 HB1 ALA 42 HB1 ALA 42 11.535 11.747 29.049 860 HB2 ALA 42 HB2 ALA 42 11.436 10.037 28.573 861 HB3 ALA 42 HB3 ALA 42 12.495 10.526 29.911 862 H PHE 43 H PHE 43 13.213 13.479 27.322 863 HA PHE 43 HA PHE 43 15.533 14.354 28.986 864 HB2 PHE 43 HB2 PHE 43 15.172 14.863 26.016 865 HB3 PHE 43 HB3 PHE 43 16.486 15.459 27.039 866 HD1 PHE 43 HD1 PHE 43 15.279 12.687 25.023 867 HD2 PHE 43 HD2 PHE 43 18.073 13.771 28.128 868 HE1 PHE 43 HE1 PHE 43 16.557 10.602 24.605 869 HE2 PHE 43 HE2 PHE 43 19.345 11.674 27.713 870 HZ PHE 43 HZ PHE 43 18.579 10.084 25.978 871 HA PRO 44 HA PRO 44 12.212 17.449 29.606 872 HB2 PRO 44 HB2 PRO 44 14.003 18.028 31.957 873 HB3 PRO 44 HB3 PRO 44 12.216 17.965 31.880 874 HG2 PRO 44 HG2 PRO 44 13.587 15.868 32.911 875 HG3 PRO 44 HG3 PRO 44 12.235 15.563 31.786 876 HD2 PRO 44 HD2 PRO 44 15.204 15.626 31.162 877 HD3 PRO 44 HD3 PRO 44 13.977 14.415 30.696 878 H GLY 45 H GLY 45 12.084 19.631 29.210 879 HA2 GLY 45 HA2 GLY 45 12.731 21.791 28.790 880 HA3 GLY 45 HA3 GLY 45 14.406 21.407 29.206 881 H LEU 46 H LEU 46 13.320 19.213 26.863 882 HA LEU 46 HA LEU 46 14.527 20.805 24.650 883 HB2 LEU 46 HB2 LEU 46 14.269 17.798 24.913 884 HB3 LEU 46 HB3 LEU 46 14.984 18.663 23.557 885 HG LEU 46 HG LEU 46 16.079 18.478 26.390 886 HD11 LEU 46 HD11 LEU 46 16.392 16.539 24.806 887 HD12 LEU 46 HD12 LEU 46 17.255 17.636 23.714 888 HD13 LEU 46 HD13 LEU 46 17.900 17.298 25.340 889 HD21 LEU 46 HD21 LEU 46 18.041 19.742 25.505 890 HD22 LEU 46 HD22 LEU 46 17.138 20.084 24.013 891 HD23 LEU 46 HD23 LEU 46 16.596 20.739 25.579 892 H ALA 47 H ALA 47 13.790 20.549 22.540 893 HA ALA 47 HA ALA 47 11.244 19.223 21.947 894 HB1 ALA 47 HB1 ALA 47 11.759 22.148 21.258 895 HB2 ALA 47 HB2 ALA 47 10.383 21.186 20.694 896 HB3 ALA 47 HB3 ALA 47 10.553 21.557 22.420 897 H ILE 48 H ILE 48 10.991 19.002 19.508 898 HA ILE 48 HA ILE 48 13.565 18.276 18.306 899 HB ILE 48 HB ILE 48 10.776 18.236 17.121 900 HG12 ILE 48 HG12 ILE 48 12.318 15.782 18.029 901 HG13 ILE 48 HG13 ILE 48 11.302 16.661 19.166 902 HG21 ILE 48 HG21 ILE 48 13.430 17.064 16.151 903 HG22 ILE 48 HG22 ILE 48 11.848 16.657 15.452 904 HG23 ILE 48 HG23 ILE 48 12.456 18.305 15.347 905 HD11 ILE 48 HD11 ILE 48 10.326 15.369 16.596 906 HD12 ILE 48 HD12 ILE 48 10.019 14.838 18.251 907 HD13 ILE 48 HD13 ILE 48 9.333 16.368 17.679 908 H GLY 49 H GLY 49 14.807 19.551 17.070 909 HA2 GLY 49 HA2 GLY 49 13.880 22.330 16.478 910 HA3 GLY 49 HA3 GLY 49 15.538 21.764 16.667 911 H ARG 50 H ARG 50 15.416 19.518 14.855 912 HA ARG 50 HA ARG 50 14.725 20.580 12.175 913 HB2 ARG 50 HB2 ARG 50 16.798 21.763 12.666 914 HB3 ARG 50 HB3 ARG 50 17.592 20.282 13.176 915 HG2 ARG 50 HG2 ARG 50 17.596 19.416 10.885 916 HG3 ARG 50 HG3 ARG 50 16.677 20.833 10.330 917 HD2 ARG 50 HD2 ARG 50 18.530 22.316 11.058 918 HD3 ARG 50 HD3 ARG 50 19.450 20.913 11.600 919 HE ARG 50 HE ARG 50 18.812 21.681 8.777 920 HH11 ARG 50 HH11 ARG 50 20.547 19.361 10.787 921 HH12 ARG 50 HH12 ARG 50 21.355 18.700 9.382 922 HH21 ARG 50 HH21 ARG 50 19.884 20.877 7.176 923 HH22 ARG 50 HH22 ARG 50 20.870 19.416 7.374 924 H VAL 51 H VAL 51 14.666 18.993 10.565 925 HA VAL 51 HA VAL 51 15.877 16.347 11.201 926 HB VAL 51 HB VAL 51 13.218 16.514 9.771 927 HG11 VAL 51 HG11 VAL 51 13.202 14.076 10.214 928 HG12 VAL 51 HG12 VAL 51 14.533 14.569 9.171 929 HG13 VAL 51 HG13 VAL 51 14.843 14.201 10.875 930 HG21 VAL 51 HG21 VAL 51 12.200 15.541 11.795 931 HG22 VAL 51 HG22 VAL 51 13.719 15.821 12.684 932 HG23 VAL 51 HG23 VAL 51 12.753 17.179 12.063 933 H ASP 52 H ASP 52 17.112 15.561 9.629 934 HA ASP 52 HA ASP 52 17.177 16.947 6.968 935 HB2 ASP 52 HB2 ASP 52 18.906 17.687 8.564 936 HB3 ASP 52 HB3 ASP 52 19.536 16.040 8.663 937 H LEU 53 H LEU 53 16.323 15.553 5.611 938 HA LEU 53 HA LEU 53 16.543 12.662 6.015 939 HB2 LEU 53 HB2 LEU 53 15.053 14.283 3.932 940 HB3 LEU 53 HB3 LEU 53 14.951 12.547 4.154 941 HG LEU 53 HG LEU 53 13.012 13.413 5.086 942 HD11 LEU 53 HD11 LEU 53 13.085 12.762 7.437 943 HD12 LEU 53 HD12 LEU 53 14.053 11.650 6.457 944 HD13 LEU 53 HD13 LEU 53 14.843 12.885 7.464 945 HD21 LEU 53 HD21 LEU 53 13.676 15.785 5.404 946 HD22 LEU 53 HD22 LEU 53 12.761 15.108 6.756 947 HD23 LEU 53 HD23 LEU 53 14.505 15.335 6.913 948 H ARG 54 H ARG 54 18.544 14.837 4.471 949 HA ARG 54 HA ARG 54 19.598 13.175 2.315 950 HB2 ARG 54 HB2 ARG 54 21.056 15.189 4.078 951 HB3 ARG 54 HB3 ARG 54 21.603 14.581 2.517 952 HG2 ARG 54 HG2 ARG 54 19.684 15.678 1.407 953 HG3 ARG 54 HG3 ARG 54 19.124 16.296 2.970 954 HD2 ARG 54 HD2 ARG 54 21.481 17.341 3.204 955 HD3 ARG 54 HD3 ARG 54 21.700 16.965 1.500 956 HE ARG 54 HE ARG 54 20.268 18.723 0.938 957 HH11 ARG 54 HH11 ARG 54 19.748 18.101 4.407 958 HH12 ARG 54 HH12 ARG 54 19.155 19.759 4.603 959 HH21 ARG 54 HH21 ARG 54 19.338 20.751 1.425 960 HH22 ARG 54 HH22 ARG 54 18.875 21.053 3.104 961 H SER 55 H SER 55 19.968 13.174 5.788 962 HA SER 55 HA SER 55 21.869 10.863 5.673 963 HB2 SER 55 HB2 SER 55 21.890 13.182 7.630 964 HB3 SER 55 HB3 SER 55 22.990 11.797 7.648 965 HG SER 55 HG SER 55 23.906 13.617 6.594 966 H GLY 56 H GLY 56 18.857 11.958 6.944 967 HA2 GLY 56 HA2 GLY 56 17.279 10.777 8.173 968 HA3 GLY 56 HA3 GLY 56 18.411 9.421 8.334 969 H VAL 57 H VAL 57 18.781 12.861 9.315 970 HA VAL 57 HA VAL 57 19.212 11.942 12.134 971 HB VAL 57 HB VAL 57 20.644 14.210 10.747 972 HG11 VAL 57 HG11 VAL 57 20.944 13.019 13.549 973 HG12 VAL 57 HG12 VAL 57 22.051 14.197 12.818 974 HG13 VAL 57 HG13 VAL 57 20.384 14.661 13.153 975 HG21 VAL 57 HG21 VAL 57 22.653 12.751 11.041 976 HG22 VAL 57 HG22 VAL 57 21.592 11.444 11.620 977 HG23 VAL 57 HG23 VAL 57 21.466 12.026 9.953 978 H ILE 58 H ILE 58 18.221 12.852 13.707 979 HA ILE 58 HA ILE 58 16.339 15.155 13.313 980 HB ILE 58 HB ILE 58 16.214 12.652 15.041 981 HG12 ILE 58 HG12 ILE 58 14.116 13.488 13.024 982 HG13 ILE 58 HG13 ILE 58 15.535 12.587 12.499 983 HG21 ILE 58 HG21 ILE 58 13.970 13.514 15.770 984 HG22 ILE 58 HG22 ILE 58 15.335 14.431 16.376 985 HG23 ILE 58 HG23 ILE 58 14.366 15.070 15.017 986 HD11 ILE 58 HD11 ILE 58 14.998 10.776 14.114 987 HD12 ILE 58 HD12 ILE 58 13.495 11.626 14.526 988 HD13 ILE 58 HD13 ILE 58 13.746 11.040 12.879 989 H SER 59 H SER 59 17.063 16.935 14.310 990 HA SER 59 HA SER 59 19.019 16.709 16.561 991 HB2 SER 59 HB2 SER 59 19.795 17.793 14.482 992 HB3 SER 59 HB3 SER 59 18.528 19.022 14.683 993 HG SER 59 HG SER 59 20.568 19.687 15.552 994 H LEU 60 H LEU 60 18.585 17.476 18.494 995 HA LEU 60 HA LEU 60 15.931 18.721 19.040 996 HB2 LEU 60 HB2 LEU 60 17.902 17.097 20.654 997 HB3 LEU 60 HB3 LEU 60 16.570 17.965 21.401 998 HG LEU 60 HG LEU 60 14.929 16.568 20.557 999 HD11 LEU 60 HD11 LEU 60 15.455 16.386 18.203 1000 HD12 LEU 60 HD12 LEU 60 16.864 15.356 18.562 1001 HD13 LEU 60 HD13 LEU 60 15.212 14.789 18.896 1002 HD21 LEU 60 HD21 LEU 60 16.390 15.500 22.264 1003 HD22 LEU 60 HD22 LEU 60 15.707 14.284 21.168 1004 HD23 LEU 60 HD23 LEU 60 17.376 14.791 20.961 1005 H ILE 61 H ILE 61 15.687 20.458 20.394 1006 HA ILE 61 HA ILE 61 18.047 22.143 21.085 1007 HB ILE 61 HB ILE 61 16.900 24.148 20.210 1008 HG12 ILE 61 HG12 ILE 61 15.234 23.708 18.284 1009 HG13 ILE 61 HG13 ILE 61 14.851 22.199 19.091 1010 HG21 ILE 61 HG21 ILE 61 18.668 22.966 18.947 1011 HG22 ILE 61 HG22 ILE 61 17.422 22.085 18.055 1012 HG23 ILE 61 HG23 ILE 61 17.550 23.851 17.918 1013 HD11 ILE 61 HD11 ILE 61 13.294 24.091 19.596 1014 HD12 ILE 61 HD12 ILE 61 14.058 23.465 21.060 1015 HD13 ILE 61 HD13 ILE 61 14.639 24.980 20.333 1016 H GLU 62 H GLU 62 17.573 23.854 22.659 1017 HA GLU 62 HA GLU 62 15.899 22.930 24.808 1018 HB2 GLU 62 HB2 GLU 62 17.233 25.647 24.498 1019 HB3 GLU 62 HB3 GLU 62 16.570 24.933 25.963 1020 HG2 GLU 62 HG2 GLU 62 18.736 24.451 26.314 1021 HG3 GLU 62 HG3 GLU 62 18.299 22.976 25.466 1022 H GLU 63 H GLU 63 13.844 23.354 25.312 1023 HA GLU 63 HA GLU 63 12.180 24.646 23.331 1024 HB2 GLU 63 HB2 GLU 63 10.360 23.668 24.457 1025 HB3 GLU 63 HB3 GLU 63 11.688 22.530 24.502 1026 HG2 GLU 63 HG2 GLU 63 11.033 22.284 26.655 1027 HG3 GLU 63 HG3 GLU 63 12.158 23.620 26.895 1028 H GLN 64 H GLN 64 13.667 25.928 26.117 1029 HA GLN 64 HA GLN 64 12.397 28.504 25.547 1030 HB2 GLN 64 HB2 GLN 64 11.974 29.105 27.825 1031 HB3 GLN 64 HB3 GLN 64 11.084 27.642 27.427 1032 HG2 GLN 64 HG2 GLN 64 12.840 26.296 28.620 1033 HG3 GLN 64 HG3 GLN 64 13.640 27.810 29.084 1034 HE21 GLN 64 HE21 GLN 64 10.490 26.068 29.339 1035 HE22 GLN 64 HE22 GLN 64 10.049 26.806 30.887 1036 H ASN 65 H ASN 65 13.753 30.265 25.907 1037 HA ASN 65 HA ASN 65 16.650 29.511 26.110 1038 HB2 ASN 65 HB2 ASN 65 15.437 31.365 24.037 1039 HB3 ASN 65 HB3 ASN 65 17.056 30.675 24.058 1040 HD21 ASN 65 HD21 ASN 65 16.832 28.005 24.273 1041 HD22 ASN 65 HD22 ASN 65 15.688 27.333 23.129 1042 H ARG 66 H ARG 66 14.735 31.150 27.939 1043 HA ARG 66 HA ARG 66 16.730 33.134 28.758 1044 HB2 ARG 66 HB2 ARG 66 15.174 35.019 28.810 1045 HB3 ARG 66 HB3 ARG 66 15.482 34.470 27.176 1046 HG2 ARG 66 HG2 ARG 66 13.284 33.342 27.080 1047 HG3 ARG 66 HG3 ARG 66 12.987 33.746 28.783 1048 HD2 ARG 66 HD2 ARG 66 11.770 35.250 27.358 1049 HD3 ARG 66 HD3 ARG 66 13.002 36.158 28.231 1050 HE ARG 66 HE ARG 66 13.016 35.428 25.324 1051 HH11 ARG 66 HH11 ARG 66 14.426 37.416 27.865 1052 HH12 ARG 66 HH12 ARG 66 15.339 38.365 26.726 1053 HH21 ARG 66 HH21 ARG 66 14.198 36.696 23.955 1054 HH22 ARG 66 HH22 ARG 66 15.200 37.973 24.585 Start of MODEL 7 1 H1 GLY -3 H1 GLY -3 7.149 -3.864 9.887 2 H2 GLY -3 H2 GLY -3 8.248 -5.013 10.297 3 H3 GLY -3 H3 GLY -3 8.203 -4.422 8.768 4 HA2 GLY -3 HA2 GLY -3 8.934 -2.902 11.182 5 HA3 GLY -3 HA3 GLY -3 10.074 -3.486 9.955 6 HA PRO -2 HA PRO -2 8.859 0.944 9.069 7 HB2 PRO -2 HB2 PRO -2 11.793 0.937 8.391 8 HB3 PRO -2 HB3 PRO -2 10.830 2.236 9.148 9 HG2 PRO -2 HG2 PRO -2 12.410 0.679 10.701 10 HG3 PRO -2 HG3 PRO -2 10.733 1.033 11.237 11 HD2 PRO -2 HD2 PRO -2 11.766 -1.447 9.847 12 HD3 PRO -2 HD3 PRO -2 10.702 -1.313 11.283 13 H GLY -1 H GLY -1 8.460 1.919 7.094 14 HA2 GLY -1 HA2 GLY -1 9.839 1.532 4.651 15 HA3 GLY -1 HA3 GLY -1 8.477 0.419 4.656 16 H SER 0 H SER 0 9.155 3.004 3.134 17 HA SER 0 HA SER 0 6.431 4.081 3.100 18 HB2 SER 0 HB2 SER 0 7.532 5.415 4.868 19 HB3 SER 0 HB3 SER 0 8.769 5.927 3.714 20 HG SER 0 HG SER 0 6.753 7.261 4.116 21 H MET 1 H MET 1 5.969 5.401 1.309 22 HA MET 1 HA MET 1 7.471 4.721 -1.109 23 HB2 MET 1 HB2 MET 1 5.525 5.629 -2.312 24 HB3 MET 1 HB3 MET 1 5.089 4.443 -1.095 25 HG2 MET 1 HG2 MET 1 3.466 6.104 -0.897 26 HG3 MET 1 HG3 MET 1 4.532 6.380 0.471 27 HE1 MET 1 HE1 MET 1 3.510 10.023 -0.056 28 HE2 MET 1 HE2 MET 1 2.507 8.556 -0.036 29 HE3 MET 1 HE3 MET 1 3.861 8.733 1.110 30 H CYS 2 H CYS 2 7.866 7.150 1.045 31 HA CYS 2 HA CYS 2 9.353 8.818 -0.892 32 HB2 CYS 2 HB2 CYS 2 8.323 10.890 -0.123 33 HB3 CYS 2 HB3 CYS 2 7.105 9.819 -0.802 34 HG CYS 2 HG CYS 2 7.876 10.387 2.382 35 H MET 3 H MET 3 10.685 10.495 0.230 36 HA MET 3 HA MET 3 12.433 9.344 2.163 37 HB2 MET 3 HB2 MET 3 12.035 12.206 1.257 38 HB3 MET 3 HB3 MET 3 13.434 11.653 2.190 39 HG2 MET 3 HG2 MET 3 14.186 10.240 0.437 40 HG3 MET 3 HG3 MET 3 12.697 10.429 -0.497 41 HE1 MET 3 HE1 MET 3 12.413 13.781 -0.140 42 HE2 MET 3 HE2 MET 3 13.091 14.206 -1.711 43 HE3 MET 3 HE3 MET 3 11.948 12.845 -1.589 44 H ALA 4 H ALA 4 10.085 12.026 2.511 45 HA ALA 4 HA ALA 4 9.019 10.966 4.948 46 HB1 ALA 4 HB1 ALA 4 10.599 13.580 5.078 47 HB2 ALA 4 HB2 ALA 4 9.419 13.081 6.302 48 HB3 ALA 4 HB3 ALA 4 10.855 12.100 6.039 49 H LYS 5 H LYS 5 7.234 12.400 5.723 50 HA LYS 5 HA LYS 5 6.173 14.342 3.763 51 HB2 LYS 5 HB2 LYS 5 3.913 13.373 3.863 52 HB3 LYS 5 HB3 LYS 5 5.087 12.351 3.035 53 HG2 LYS 5 HG2 LYS 5 5.272 10.924 5.083 54 HG3 LYS 5 HG3 LYS 5 4.079 11.944 5.892 55 HD2 LYS 5 HD2 LYS 5 3.546 10.420 3.324 56 HD3 LYS 5 HD3 LYS 5 3.200 9.786 4.942 57 HE2 LYS 5 HE2 LYS 5 1.703 11.740 5.382 58 HE3 LYS 5 HE3 LYS 5 2.013 12.341 3.746 59 HZ1 LYS 5 HZ1 LYS 5 -0.048 11.058 3.848 60 HZ2 LYS 5 HZ2 LYS 5 1.006 10.293 2.876 61 HZ3 LYS 5 HZ3 LYS 5 0.738 9.735 4.382 62 H VAL 6 H VAL 6 5.160 16.032 4.637 63 HA VAL 6 HA VAL 6 5.056 16.224 7.622 64 HB VAL 6 HB VAL 6 5.398 18.328 5.485 65 HG11 VAL 6 HG11 VAL 6 3.933 19.357 7.136 66 HG12 VAL 6 HG12 VAL 6 4.956 18.743 8.459 67 HG13 VAL 6 HG13 VAL 6 5.568 19.987 7.351 68 HG21 VAL 6 HG21 VAL 6 7.431 17.019 6.262 69 HG22 VAL 6 HG22 VAL 6 7.506 18.760 6.513 70 HG23 VAL 6 HG23 VAL 6 7.147 17.705 7.876 71 H VAL 7 H VAL 7 3.223 16.813 8.677 72 HA VAL 7 HA VAL 7 0.877 17.723 7.136 73 HB VAL 7 HB VAL 7 0.500 15.352 7.358 74 HG11 VAL 7 HG11 VAL 7 0.235 14.223 9.518 75 HG12 VAL 7 HG12 VAL 7 1.879 14.835 9.335 76 HG13 VAL 7 HG13 VAL 7 0.735 15.685 10.385 77 HG21 VAL 7 HG21 VAL 7 -1.682 15.369 8.373 78 HG22 VAL 7 HG22 VAL 7 -1.278 16.779 9.372 79 HG23 VAL 7 HG23 VAL 7 -1.427 16.950 7.612 80 H LEU 8 H LEU 8 -0.393 19.176 8.059 81 HA LEU 8 HA LEU 8 -0.048 20.014 10.866 82 HB2 LEU 8 HB2 LEU 8 0.681 22.242 10.340 83 HB3 LEU 8 HB3 LEU 8 1.771 21.079 9.627 84 HG LEU 8 HG LEU 8 0.242 21.475 7.452 85 HD11 LEU 8 HD11 LEU 8 -0.016 24.089 9.015 86 HD12 LEU 8 HD12 LEU 8 -0.272 23.940 7.270 87 HD13 LEU 8 HD13 LEU 8 -1.341 23.093 8.379 88 HD21 LEU 8 HD21 LEU 8 2.669 21.825 7.593 89 HD22 LEU 8 HD22 LEU 8 1.883 23.121 6.697 90 HD23 LEU 8 HD23 LEU 8 2.396 23.403 8.375 91 H THR 9 H THR 9 -1.532 21.771 11.459 92 HA THR 9 HA THR 9 -3.897 22.104 9.660 93 HB THR 9 HB THR 9 -4.115 21.870 12.668 94 HG1 THR 9 HG1 THR 9 -3.645 19.875 11.796 95 HG21 THR 9 HG21 THR 9 -6.198 21.921 10.422 96 HG22 THR 9 HG22 THR 9 -6.546 21.646 12.137 97 HG23 THR 9 HG23 THR 9 -5.918 23.215 11.608 98 H LYS 10 H LYS 10 -4.437 24.137 9.269 99 HA LYS 10 HA LYS 10 -2.822 26.355 10.241 100 HB2 LYS 10 HB2 LYS 10 -5.254 26.218 8.397 101 HB3 LYS 10 HB3 LYS 10 -4.261 27.661 8.652 102 HG2 LYS 10 HG2 LYS 10 -2.274 26.514 7.777 103 HG3 LYS 10 HG3 LYS 10 -3.203 25.037 7.494 104 HD2 LYS 10 HD2 LYS 10 -3.804 27.724 6.189 105 HD3 LYS 10 HD3 LYS 10 -2.824 26.451 5.456 106 HE2 LYS 10 HE2 LYS 10 -4.756 24.872 5.598 107 HE3 LYS 10 HE3 LYS 10 -5.748 26.166 6.292 108 HZ1 LYS 10 HZ1 LYS 10 -5.457 27.420 4.232 109 HZ2 LYS 10 HZ2 LYS 10 -4.495 26.259 3.595 110 HZ3 LYS 10 HZ3 LYS 10 -6.072 25.949 3.871 111 H ALA 11 H ALA 11 -3.826 28.411 10.967 112 HA ALA 11 HA ALA 11 -5.401 28.147 13.338 113 HB1 ALA 11 HB1 ALA 11 -4.841 30.599 11.590 114 HB2 ALA 11 HB2 ALA 11 -5.408 30.615 13.276 115 HB3 ALA 11 HB3 ALA 11 -3.796 29.973 12.894 116 H ASP 12 H ASP 12 -6.389 28.572 9.995 117 HA ASP 12 HA ASP 12 -9.171 29.222 10.563 118 HB2 ASP 12 HB2 ASP 12 -7.804 29.837 8.502 119 HB3 ASP 12 HB3 ASP 12 -7.939 28.153 7.992 120 H GLY 13 H GLY 13 -7.532 26.350 11.073 121 HA2 GLY 13 HA2 GLY 13 -8.361 24.319 11.772 122 HA3 GLY 13 HA3 GLY 13 -9.971 24.750 11.212 123 H GLY 14 H GLY 14 -8.004 25.276 8.568 124 HA2 GLY 14 HA2 GLY 14 -8.678 22.694 7.302 125 HA3 GLY 14 HA3 GLY 14 -7.990 24.116 6.507 126 H ARG 15 H ARG 15 -7.183 21.142 6.627 127 HA ARG 15 HA ARG 15 -4.488 21.269 7.838 128 HB2 ARG 15 HB2 ARG 15 -5.704 19.018 6.216 129 HB3 ARG 15 HB3 ARG 15 -4.211 18.982 7.149 130 HG2 ARG 15 HG2 ARG 15 -5.805 19.625 9.182 131 HG3 ARG 15 HG3 ARG 15 -7.059 18.959 8.133 132 HD2 ARG 15 HD2 ARG 15 -4.603 17.596 9.271 133 HD3 ARG 15 HD3 ARG 15 -6.295 17.184 9.550 134 HE ARG 15 HE ARG 15 -4.796 16.773 6.959 135 HH11 ARG 15 HH11 ARG 15 -7.411 15.584 9.027 136 HH12 ARG 15 HH12 ARG 15 -7.677 14.234 7.951 137 HH21 ARG 15 HH21 ARG 15 -5.181 15.190 5.762 138 HH22 ARG 15 HH22 ARG 15 -6.479 14.027 6.072 139 H VAL 16 H VAL 16 -2.588 20.687 6.735 140 HA VAL 16 HA VAL 16 -2.527 20.889 3.783 141 HB VAL 16 HB VAL 16 -0.539 22.377 5.525 142 HG11 VAL 16 HG11 VAL 16 0.364 23.239 3.385 143 HG12 VAL 16 HG12 VAL 16 0.572 21.498 3.531 144 HG13 VAL 16 HG13 VAL 16 -0.729 22.151 2.498 145 HG21 VAL 16 HG21 VAL 16 -1.383 24.428 4.429 146 HG22 VAL 16 HG22 VAL 16 -2.660 23.475 3.646 147 HG23 VAL 16 HG23 VAL 16 -2.616 23.655 5.415 148 H GLU 17 H GLU 17 -1.124 19.486 2.847 149 HA GLU 17 HA GLU 17 0.675 17.834 4.542 150 HB2 GLU 17 HB2 GLU 17 -1.210 16.737 2.395 151 HB3 GLU 17 HB3 GLU 17 0.095 15.876 3.193 152 HG2 GLU 17 HG2 GLU 17 -1.666 15.112 4.388 153 HG3 GLU 17 HG3 GLU 17 -1.081 16.402 5.420 154 H ILE 18 H ILE 18 2.596 17.244 3.628 155 HA ILE 18 HA ILE 18 3.221 18.114 0.825 156 HB ILE 18 HB ILE 18 4.922 18.667 3.283 157 HG12 ILE 18 HG12 ILE 18 3.769 20.830 1.480 158 HG13 ILE 18 HG13 ILE 18 2.855 20.231 2.863 159 HG21 ILE 18 HG21 ILE 18 5.389 19.365 0.352 160 HG22 ILE 18 HG22 ILE 18 6.431 19.874 1.692 161 HG23 ILE 18 HG23 ILE 18 6.310 18.174 1.298 162 HD11 ILE 18 HD11 ILE 18 4.048 22.190 3.514 163 HD12 ILE 18 HD12 ILE 18 4.660 20.787 4.397 164 HD13 ILE 18 HD13 ILE 18 5.609 21.490 3.057 165 H GLY 19 H GLY 19 4.075 16.464 -0.277 166 HA2 GLY 19 HA2 GLY 19 5.303 14.139 1.120 167 HA3 GLY 19 HA3 GLY 19 4.727 14.170 -0.537 168 H ASP 20 H ASP 20 7.115 13.082 -0.166 169 HA ASP 20 HA ASP 20 9.295 13.071 -0.758 170 HB2 ASP 20 HB2 ASP 20 8.508 15.224 -2.742 171 HB3 ASP 20 HB3 ASP 20 9.848 14.083 -2.850 172 H VAL 21 H VAL 21 9.015 14.468 1.543 173 HA VAL 21 HA VAL 21 10.428 17.007 1.502 174 HB VAL 21 HB VAL 21 9.482 15.223 3.761 175 HG11 VAL 21 HG11 VAL 21 10.675 18.013 3.880 176 HG12 VAL 21 HG12 VAL 21 9.780 17.237 5.199 177 HG13 VAL 21 HG13 VAL 21 11.297 16.533 4.653 178 HG21 VAL 21 HG21 VAL 21 7.668 16.185 2.431 179 HG22 VAL 21 HG22 VAL 21 7.745 17.002 3.995 180 HG23 VAL 21 HG23 VAL 21 8.398 17.803 2.556 181 H LEU 22 H LEU 22 12.488 17.423 1.694 182 HA LEU 22 HA LEU 22 14.479 15.280 2.306 183 HB2 LEU 22 HB2 LEU 22 14.718 18.123 1.220 184 HB3 LEU 22 HB3 LEU 22 16.102 17.132 1.638 185 HG LEU 22 HG LEU 22 14.052 16.347 -0.493 186 HD11 LEU 22 HD11 LEU 22 16.837 17.582 -0.730 187 HD12 LEU 22 HD12 LEU 22 15.872 16.959 -2.084 188 HD13 LEU 22 HD13 LEU 22 15.296 18.361 -1.158 189 HD21 LEU 22 HD21 LEU 22 16.838 15.256 0.124 190 HD22 LEU 22 HD22 LEU 22 15.316 14.419 0.501 191 HD23 LEU 22 HD23 LEU 22 15.755 14.721 -1.177 192 H GLU 23 H GLU 23 13.167 18.342 3.655 193 HA GLU 23 HA GLU 23 14.668 17.926 6.149 194 HB2 GLU 23 HB2 GLU 23 16.360 18.923 4.800 195 HB3 GLU 23 HB3 GLU 23 15.268 20.182 4.219 196 HG2 GLU 23 HG2 GLU 23 15.212 21.234 6.423 197 HG3 GLU 23 HG3 GLU 23 16.160 19.898 7.109 198 H VAL 24 H VAL 24 13.923 19.099 7.878 199 HA VAL 24 HA VAL 24 11.747 21.070 7.510 200 HB VAL 24 HB VAL 24 11.523 18.742 9.445 201 HG11 VAL 24 HG11 VAL 24 10.456 20.796 10.321 202 HG12 VAL 24 HG12 VAL 24 9.547 20.975 8.808 203 HG13 VAL 24 HG13 VAL 24 9.259 19.588 9.883 204 HG21 VAL 24 HG21 VAL 24 11.037 17.916 7.223 205 HG22 VAL 24 HG22 VAL 24 9.517 18.131 8.069 206 HG23 VAL 24 HG23 VAL 24 10.018 19.331 6.869 207 H ARG 25 H ARG 25 11.825 22.745 8.969 208 HA ARG 25 HA ARG 25 13.658 22.555 11.341 209 HB2 ARG 25 HB2 ARG 25 13.638 24.877 9.364 210 HB3 ARG 25 HB3 ARG 25 14.576 24.758 10.858 211 HG2 ARG 25 HG2 ARG 25 15.800 22.777 9.856 212 HG3 ARG 25 HG3 ARG 25 14.935 23.099 8.333 213 HD2 ARG 25 HD2 ARG 25 15.843 25.387 8.283 214 HD3 ARG 25 HD3 ARG 25 16.695 25.091 9.811 215 HE ARG 25 HE ARG 25 17.444 23.101 7.871 216 HH11 ARG 25 HH11 ARG 25 18.097 26.494 8.543 217 HH12 ARG 25 HH12 ARG 25 19.605 26.438 7.656 218 HH21 ARG 25 HH21 ARG 25 19.204 23.104 6.822 219 HH22 ARG 25 HH22 ARG 25 20.266 24.518 6.715 220 H ALA 26 H ALA 26 12.496 22.952 13.070 221 HA ALA 26 HA ALA 26 10.314 24.969 13.126 222 HB1 ALA 26 HB1 ALA 26 9.876 24.019 15.365 223 HB2 ALA 26 HB2 ALA 26 9.835 22.754 14.111 224 HB3 ALA 26 HB3 ALA 26 11.245 22.900 15.174 225 H GLU 27 H GLU 27 11.260 26.961 13.191 226 HA GLU 27 HA GLU 27 12.880 27.765 15.467 227 HB2 GLU 27 HB2 GLU 27 14.903 28.414 14.278 228 HB3 GLU 27 HB3 GLU 27 14.638 26.677 14.206 229 HG2 GLU 27 HG2 GLU 27 13.700 26.991 11.872 230 HG3 GLU 27 HG3 GLU 27 14.181 28.692 11.965 231 H GLY 28 H GLY 28 13.263 30.036 15.617 232 HA2 GLY 28 HA2 GLY 28 12.707 32.260 15.376 233 HA3 GLY 28 HA3 GLY 28 12.600 31.958 13.647 234 H GLY 29 H GLY 29 10.450 30.312 15.909 235 HA2 GLY 29 HA2 GLY 29 8.195 30.557 16.380 236 HA3 GLY 29 HA3 GLY 29 8.193 32.144 15.620 237 H ALA 30 H ALA 30 9.366 29.524 13.617 238 HA ALA 30 HA ALA 30 6.720 28.927 12.430 239 HB1 ALA 30 HB1 ALA 30 7.444 29.601 10.186 240 HB2 ALA 30 HB2 ALA 30 7.531 30.998 11.285 241 HB3 ALA 30 HB3 ALA 30 9.015 30.134 10.822 242 H VAL 31 H VAL 31 6.717 27.132 10.998 243 HA VAL 31 HA VAL 31 9.179 25.423 11.073 244 HB VAL 31 HB VAL 31 6.347 24.530 10.483 245 HG11 VAL 31 HG11 VAL 31 7.494 22.230 10.500 246 HG12 VAL 31 HG12 VAL 31 7.835 23.225 9.076 247 HG13 VAL 31 HG13 VAL 31 9.046 23.076 10.368 248 HG21 VAL 31 HG21 VAL 31 6.979 24.896 12.899 249 HG22 VAL 31 HG22 VAL 31 6.601 23.210 12.514 250 HG23 VAL 31 HG23 VAL 31 8.297 23.737 12.699 251 H ARG 32 H ARG 32 10.257 24.985 9.278 252 HA ARG 32 HA ARG 32 9.190 25.855 6.608 253 HB2 ARG 32 HB2 ARG 32 12.044 25.825 7.647 254 HB3 ARG 32 HB3 ARG 32 11.611 26.129 5.967 255 HG2 ARG 32 HG2 ARG 32 10.592 28.209 6.436 256 HG3 ARG 32 HG3 ARG 32 10.396 27.832 8.148 257 HD2 ARG 32 HD2 ARG 32 13.080 27.716 8.100 258 HD3 ARG 32 HD3 ARG 32 12.859 28.717 6.659 259 HE ARG 32 HE ARG 32 12.363 30.501 8.071 260 HH11 ARG 32 HH11 ARG 32 11.728 27.565 9.938 261 HH12 ARG 32 HH12 ARG 32 11.419 28.503 11.386 262 HH21 ARG 32 HH21 ARG 32 12.001 31.551 10.051 263 HH22 ARG 32 HH22 ARG 32 11.645 30.563 11.464 264 H VAL 33 H VAL 33 9.616 24.517 4.854 265 HA VAL 33 HA VAL 33 10.635 21.758 5.379 266 HB VAL 33 HB VAL 33 8.094 22.310 3.831 267 HG11 VAL 33 HG11 VAL 33 9.170 20.281 3.079 268 HG12 VAL 33 HG12 VAL 33 9.335 19.714 4.748 269 HG13 VAL 33 HG13 VAL 33 7.726 19.872 4.011 270 HG21 VAL 33 HG21 VAL 33 6.853 21.219 5.693 271 HG22 VAL 33 HG22 VAL 33 8.332 21.243 6.674 272 HG23 VAL 33 HG23 VAL 33 7.557 22.763 6.176 273 H THR 34 H THR 34 11.773 20.871 3.709 274 HA THR 34 HA THR 34 11.915 22.351 1.098 275 HB THR 34 HB THR 34 14.178 20.909 2.512 276 HG1 THR 34 HG1 THR 34 14.992 22.946 2.895 277 HG21 THR 34 HG21 THR 34 14.581 20.883 0.118 278 HG22 THR 34 HG22 THR 34 14.131 22.599 -0.012 279 HG23 THR 34 HG23 THR 34 15.613 22.114 0.844 280 H THR 35 H THR 35 12.039 21.118 -0.785 281 HA THR 35 HA THR 35 11.662 18.147 -0.542 282 HB THR 35 HB THR 35 9.952 18.201 -2.241 283 HG1 THR 35 HG1 THR 35 10.202 21.021 -2.109 284 HG21 THR 35 HG21 THR 35 9.185 18.465 0.100 285 HG22 THR 35 HG22 THR 35 9.184 20.229 -0.104 286 HG23 THR 35 HG23 THR 35 8.101 19.203 -1.079 287 H LEU 36 H LEU 36 11.985 16.957 -2.558 288 HA LEU 36 HA LEU 36 14.513 17.643 -3.735 289 HB2 LEU 36 HB2 LEU 36 14.167 15.606 -5.130 290 HB3 LEU 36 HB3 LEU 36 14.101 15.380 -3.398 291 HG LEU 36 HG LEU 36 11.710 15.116 -3.423 292 HD11 LEU 36 HD11 LEU 36 10.445 14.909 -5.577 293 HD12 LEU 36 HD12 LEU 36 10.910 16.557 -5.178 294 HD13 LEU 36 HD13 LEU 36 11.826 15.656 -6.415 295 HD21 LEU 36 HD21 LEU 36 13.172 13.155 -3.942 296 HD22 LEU 36 HD22 LEU 36 11.574 13.019 -4.680 297 HD23 LEU 36 HD23 LEU 36 12.967 13.485 -5.670 298 H PHE 37 H PHE 37 11.569 18.949 -4.627 299 HA PHE 37 HA PHE 37 12.199 19.376 -7.461 300 HB2 PHE 37 HB2 PHE 37 10.172 20.746 -5.671 301 HB3 PHE 37 HB3 PHE 37 10.214 20.784 -7.427 302 HD1 PHE 37 HD1 PHE 37 10.189 18.368 -8.593 303 HD2 PHE 37 HD2 PHE 37 8.697 19.213 -4.640 304 HE1 PHE 37 HE1 PHE 37 8.787 16.309 -8.680 305 HE2 PHE 37 HE2 PHE 37 7.288 17.167 -4.734 306 HZ PHE 37 HZ PHE 37 7.340 15.707 -6.747 307 H ASP 38 H ASP 38 13.688 20.469 -4.768 308 HA ASP 38 HA ASP 38 14.834 22.216 -4.025 309 HB2 ASP 38 HB2 ASP 38 14.838 23.419 -6.798 310 HB3 ASP 38 HB3 ASP 38 15.872 23.850 -5.453 311 H GLU 39 H GLU 39 11.794 22.244 -4.400 312 HA GLU 39 HA GLU 39 11.182 25.099 -3.934 313 HB2 GLU 39 HB2 GLU 39 9.466 22.598 -4.027 314 HB3 GLU 39 HB3 GLU 39 8.843 24.173 -3.549 315 HG2 GLU 39 HG2 GLU 39 10.083 23.479 -6.230 316 HG3 GLU 39 HG3 GLU 39 8.364 23.694 -5.891 317 H GLU 40 H GLU 40 10.084 25.805 -2.124 318 HA GLU 40 HA GLU 40 10.553 24.378 0.427 319 HB2 GLU 40 HB2 GLU 40 11.525 27.201 -0.153 320 HB3 GLU 40 HB3 GLU 40 11.429 26.472 1.461 321 HG2 GLU 40 HG2 GLU 40 13.023 24.713 0.780 322 HG3 GLU 40 HG3 GLU 40 13.117 25.405 -0.839 323 H HIS 41 H HIS 41 9.320 25.002 2.137 324 HA HIS 41 HA HIS 41 6.976 26.802 1.648 325 HB2 HIS 41 HB2 HIS 41 6.824 24.092 3.008 326 HB3 HIS 41 HB3 HIS 41 5.499 25.195 2.627 327 HD2 HIS 41 HD2 HIS 41 7.594 22.394 1.159 328 HE1 HIS 41 HE1 HIS 41 5.048 23.680 -2.011 329 HE2 HIS 41 HE2 HIS 41 6.683 21.886 -1.267 330 H ALA 42 H ALA 42 6.038 27.711 3.582 331 HA ALA 42 HA ALA 42 7.511 27.364 6.122 332 HB1 ALA 42 HB1 ALA 42 7.251 30.048 4.716 333 HB2 ALA 42 HB2 ALA 42 7.884 29.793 6.356 334 HB3 ALA 42 HB3 ALA 42 8.755 29.127 4.965 335 H PHE 43 H PHE 43 6.342 27.674 7.906 336 HA PHE 43 HA PHE 43 3.509 28.622 7.749 337 HB2 PHE 43 HB2 PHE 43 4.476 26.002 8.931 338 HB3 PHE 43 HB3 PHE 43 2.821 26.608 8.934 339 HD1 PHE 43 HD1 PHE 43 5.424 24.896 7.032 340 HD2 PHE 43 HD2 PHE 43 1.552 26.797 6.746 341 HE1 PHE 43 HE1 PHE 43 5.069 23.859 4.809 342 HE2 PHE 43 HE2 PHE 43 1.195 25.745 4.530 343 HZ PHE 43 HZ PHE 43 2.960 24.293 3.538 344 HA PRO 44 HA PRO 44 5.339 30.581 11.483 345 HB2 PRO 44 HB2 PRO 44 2.919 32.301 11.018 346 HB3 PRO 44 HB3 PRO 44 4.578 32.774 11.507 347 HG2 PRO 44 HG2 PRO 44 3.784 33.111 8.938 348 HG3 PRO 44 HG3 PRO 44 5.404 32.437 9.279 349 HD2 PRO 44 HD2 PRO 44 2.866 30.932 8.578 350 HD3 PRO 44 HD3 PRO 44 4.504 30.749 7.887 351 H GLY 45 H GLY 45 4.751 30.507 13.631 352 HA2 GLY 45 HA2 GLY 45 3.478 30.192 15.533 353 HA3 GLY 45 HA3 GLY 45 2.028 29.976 14.550 354 H LEU 46 H LEU 46 4.535 27.870 13.552 355 HA LEU 46 HA LEU 46 3.351 25.604 15.096 356 HB2 LEU 46 HB2 LEU 46 4.664 25.576 12.369 357 HB3 LEU 46 HB3 LEU 46 4.027 24.169 13.229 358 HG LEU 46 HG LEU 46 2.416 26.484 12.089 359 HD11 LEU 46 HD11 LEU 46 1.542 24.765 10.606 360 HD12 LEU 46 HD12 LEU 46 3.310 24.730 10.510 361 HD13 LEU 46 HD13 LEU 46 2.453 23.505 11.451 362 HD21 LEU 46 HD21 LEU 46 0.417 25.133 12.740 363 HD22 LEU 46 HD22 LEU 46 1.467 24.040 13.668 364 HD23 LEU 46 HD23 LEU 46 1.291 25.754 14.139 365 H ALA 47 H ALA 47 4.616 23.800 15.551 366 HA ALA 47 HA ALA 47 7.515 23.850 15.281 367 HB1 ALA 47 HB1 ALA 47 7.214 24.864 17.512 368 HB2 ALA 47 HB2 ALA 47 6.181 23.496 17.999 369 HB3 ALA 47 HB3 ALA 47 7.912 23.238 17.654 370 H ILE 48 H ILE 48 8.423 21.585 15.748 371 HA ILE 48 HA ILE 48 6.640 19.567 14.608 372 HB ILE 48 HB ILE 48 9.476 19.363 15.650 373 HG12 ILE 48 HG12 ILE 48 8.721 19.180 12.724 374 HG13 ILE 48 HG13 ILE 48 8.871 20.763 13.438 375 HG21 ILE 48 HG21 ILE 48 7.762 17.348 14.114 376 HG22 ILE 48 HG22 ILE 48 9.514 17.199 14.329 377 HG23 ILE 48 HG23 ILE 48 8.455 17.149 15.730 378 HD11 ILE 48 HD11 ILE 48 11.058 18.659 13.393 379 HD12 ILE 48 HD12 ILE 48 10.991 20.148 12.444 380 HD13 ILE 48 HD13 ILE 48 11.182 20.240 14.203 381 H GLY 49 H GLY 49 5.332 18.255 15.675 382 HA2 GLY 49 HA2 GLY 49 5.323 18.128 18.638 383 HA3 GLY 49 HA3 GLY 49 4.103 17.522 17.523 384 H ARG 50 H ARG 50 5.548 15.885 15.844 385 HA ARG 50 HA ARG 50 7.370 14.140 17.283 386 HB2 ARG 50 HB2 ARG 50 6.119 12.107 17.225 387 HB3 ARG 50 HB3 ARG 50 5.219 13.278 18.176 388 HG2 ARG 50 HG2 ARG 50 3.562 13.526 16.443 389 HG3 ARG 50 HG3 ARG 50 4.570 12.657 15.264 390 HD2 ARG 50 HD2 ARG 50 4.486 10.635 16.715 391 HD3 ARG 50 HD3 ARG 50 3.364 11.465 17.803 392 HE ARG 50 HE ARG 50 1.994 11.711 15.533 393 HH11 ARG 50 HH11 ARG 50 3.665 8.790 16.663 394 HH12 ARG 50 HH12 ARG 50 2.583 7.766 15.761 395 HH21 ARG 50 HH21 ARG 50 0.697 10.302 14.421 396 HH22 ARG 50 HH22 ARG 50 0.975 8.588 14.531 397 H VAL 51 H VAL 51 8.175 12.367 16.038 398 HA VAL 51 HA VAL 51 7.683 12.463 13.117 399 HB VAL 51 HB VAL 51 10.497 12.219 14.219 400 HG11 VAL 51 HG11 VAL 51 10.202 11.031 12.131 401 HG12 VAL 51 HG12 VAL 51 9.379 12.416 11.406 402 HG13 VAL 51 HG13 VAL 51 11.108 12.515 11.814 403 HG21 VAL 51 HG21 VAL 51 10.951 14.430 13.248 404 HG22 VAL 51 HG22 VAL 51 9.222 14.638 12.887 405 HG23 VAL 51 HG23 VAL 51 9.794 14.540 14.567 406 H ASP 52 H ASP 52 7.163 10.553 12.401 407 HA ASP 52 HA ASP 52 7.705 8.106 14.041 408 HB2 ASP 52 HB2 ASP 52 5.352 8.788 13.878 409 HB3 ASP 52 HB3 ASP 52 5.441 8.811 12.118 410 H LEU 53 H LEU 53 9.674 7.476 13.170 411 HA LEU 53 HA LEU 53 10.356 7.711 10.393 412 HB2 LEU 53 HB2 LEU 53 11.684 6.114 12.630 413 HB3 LEU 53 HB3 LEU 53 12.351 6.389 11.041 414 HG LEU 53 HG LEU 53 13.472 7.798 12.528 415 HD11 LEU 53 HD11 LEU 53 13.171 9.985 11.499 416 HD12 LEU 53 HD12 LEU 53 12.999 8.707 10.295 417 HD13 LEU 53 HD13 LEU 53 11.556 9.528 10.925 418 HD21 LEU 53 HD21 LEU 53 12.559 9.491 13.925 419 HD22 LEU 53 HD22 LEU 53 10.914 9.192 13.362 420 HD23 LEU 53 HD23 LEU 53 11.776 7.961 14.323 421 H ARG 54 H ARG 54 8.583 5.260 12.030 422 HA ARG 54 HA ARG 54 9.109 3.003 10.319 423 HB2 ARG 54 HB2 ARG 54 6.663 3.831 11.894 424 HB3 ARG 54 HB3 ARG 54 6.796 2.269 11.084 425 HG2 ARG 54 HG2 ARG 54 8.613 1.553 12.436 426 HG3 ARG 54 HG3 ARG 54 8.897 3.165 13.109 427 HD2 ARG 54 HD2 ARG 54 6.419 1.465 13.622 428 HD3 ARG 54 HD3 ARG 54 7.808 1.649 14.716 429 HE ARG 54 HE ARG 54 6.504 4.168 13.858 430 HH11 ARG 54 HH11 ARG 54 6.655 1.883 16.559 431 HH12 ARG 54 HH12 ARG 54 6.015 3.105 17.635 432 HH21 ARG 54 HH21 ARG 54 5.814 5.482 15.163 433 HH22 ARG 54 HH22 ARG 54 5.649 5.204 16.896 434 H SER 55 H SER 55 7.165 5.869 9.796 435 HA SER 55 HA SER 55 6.590 4.933 7.010 436 HB2 SER 55 HB2 SER 55 4.637 4.659 8.547 437 HB3 SER 55 HB3 SER 55 4.607 6.413 8.779 438 HG SER 55 HG SER 55 4.342 6.591 6.465 439 H GLY 56 H GLY 56 8.303 7.167 8.682 440 HA2 GLY 56 HA2 GLY 56 9.368 9.098 8.058 441 HA3 GLY 56 HA3 GLY 56 8.680 8.934 6.448 442 H VAL 57 H VAL 57 6.445 9.104 9.174 443 HA VAL 57 HA VAL 57 5.305 11.565 8.032 444 HB VAL 57 HB VAL 57 4.331 9.806 10.303 445 HG11 VAL 57 HG11 VAL 57 2.196 11.063 10.053 446 HG12 VAL 57 HG12 VAL 57 3.502 12.067 10.681 447 HG13 VAL 57 HG13 VAL 57 3.019 12.217 8.977 448 HG21 VAL 57 HG21 VAL 57 3.328 10.178 7.443 449 HG22 VAL 57 HG22 VAL 57 4.214 8.761 8.050 450 HG23 VAL 57 HG23 VAL 57 2.609 9.135 8.690 451 H ILE 58 H ILE 58 5.755 13.521 8.669 452 HA ILE 58 HA ILE 58 6.848 14.122 11.395 453 HB ILE 58 HB ILE 58 7.056 15.557 8.737 454 HG12 ILE 58 HG12 ILE 58 9.263 14.504 10.560 455 HG13 ILE 58 HG13 ILE 58 8.605 13.601 9.184 456 HG21 ILE 58 HG21 ILE 58 6.733 17.275 10.434 457 HG22 ILE 58 HG22 ILE 58 7.960 16.518 11.503 458 HG23 ILE 58 HG23 ILE 58 8.413 17.272 9.956 459 HD11 ILE 58 HD11 ILE 58 10.209 16.163 9.097 460 HD12 ILE 58 HD12 ILE 58 10.606 14.581 8.429 461 HD13 ILE 58 HD13 ILE 58 9.299 15.541 7.695 462 H SER 59 H SER 59 5.373 14.854 12.784 463 HA SER 59 HA SER 59 2.847 16.093 11.773 464 HB2 SER 59 HB2 SER 59 2.630 14.020 13.110 465 HB3 SER 59 HB3 SER 59 3.464 14.829 14.454 466 HG SER 59 HG SER 59 1.140 14.920 14.609 467 H LEU 60 H LEU 60 2.548 18.210 12.060 468 HA LEU 60 HA LEU 60 4.270 19.697 13.990 469 HB2 LEU 60 HB2 LEU 60 2.611 20.838 11.744 470 HB3 LEU 60 HB3 LEU 60 3.827 21.660 12.715 471 HG LEU 60 HG LEU 60 4.314 19.511 10.607 472 HD11 LEU 60 HD11 LEU 60 5.533 21.328 9.480 473 HD12 LEU 60 HD12 LEU 60 3.857 21.795 9.750 474 HD13 LEU 60 HD13 LEU 60 5.118 22.442 10.804 475 HD21 LEU 60 HD21 LEU 60 6.310 20.873 12.446 476 HD22 LEU 60 HD22 LEU 60 5.954 19.126 12.377 477 HD23 LEU 60 HD23 LEU 60 6.733 19.925 11.000 478 H ILE 61 H ILE 61 3.462 21.211 15.365 479 HA ILE 61 HA ILE 61 0.554 21.292 15.979 480 HB ILE 61 HB ILE 61 1.043 21.055 18.386 481 HG12 ILE 61 HG12 ILE 61 3.154 19.735 18.998 482 HG13 ILE 61 HG13 ILE 61 3.866 20.343 17.512 483 HG21 ILE 61 HG21 ILE 61 1.873 18.610 16.785 484 HG22 ILE 61 HG22 ILE 61 1.168 18.657 18.412 485 HG23 ILE 61 HG23 ILE 61 0.205 19.185 17.018 486 HD11 ILE 61 HD11 ILE 61 3.732 22.641 18.370 487 HD12 ILE 61 HD12 ILE 61 2.785 22.085 19.768 488 HD13 ILE 61 HD13 ILE 61 4.479 21.607 19.589 489 H GLU 62 H GLU 62 0.003 23.126 17.465 490 HA GLU 62 HA GLU 62 1.272 25.569 16.522 491 HB2 GLU 62 HB2 GLU 62 -0.835 25.079 18.645 492 HB3 GLU 62 HB3 GLU 62 -0.275 26.683 18.117 493 HG2 GLU 62 HG2 GLU 62 -0.964 26.133 15.781 494 HG3 GLU 62 HG3 GLU 62 -1.620 24.593 16.349 495 H GLU 63 H GLU 63 2.881 26.724 17.393 496 HA GLU 63 HA GLU 63 4.463 25.555 19.506 497 HB2 GLU 63 HB2 GLU 63 6.079 27.229 19.012 498 HB3 GLU 63 HB3 GLU 63 5.366 26.666 17.525 499 HG2 GLU 63 HG2 GLU 63 5.301 28.864 17.009 500 HG3 GLU 63 HG3 GLU 63 3.769 28.804 17.857 501 H GLN 64 H GLN 64 1.894 27.797 19.645 502 HA GLN 64 HA GLN 64 2.240 27.909 22.603 503 HB2 GLN 64 HB2 GLN 64 1.297 30.186 20.839 504 HB3 GLN 64 HB3 GLN 64 0.940 30.079 22.575 505 HG2 GLN 64 HG2 GLN 64 3.304 30.135 23.143 506 HG3 GLN 64 HG3 GLN 64 3.780 30.041 21.444 507 HE21 GLN 64 HE21 GLN 64 3.967 31.954 20.259 508 HE22 GLN 64 HE22 GLN 64 3.500 33.529 20.914 509 H ASN 65 H ASN 65 0.767 26.622 23.408 510 HA ASN 65 HA ASN 65 -1.970 26.479 22.255 511 HB2 ASN 65 HB2 ASN 65 -1.784 24.017 22.183 512 HB3 ASN 65 HB3 ASN 65 -0.620 24.800 21.133 513 HD21 ASN 65 HD21 ASN 65 1.492 24.035 21.273 514 HD22 ASN 65 HD22 ASN 65 2.094 23.164 22.683 515 H ARG 66 H ARG 66 -0.414 27.177 24.994 516 HA ARG 66 HA ARG 66 -1.884 25.565 26.970 517 HB2 ARG 66 HB2 ARG 66 -0.058 27.986 27.263 518 HB3 ARG 66 HB3 ARG 66 -0.810 27.121 28.608 519 HG2 ARG 66 HG2 ARG 66 0.366 25.023 27.927 520 HG3 ARG 66 HG3 ARG 66 1.101 25.876 26.579 521 HD2 ARG 66 HD2 ARG 66 2.741 25.745 28.345 522 HD3 ARG 66 HD3 ARG 66 2.248 27.415 28.137 523 HE ARG 66 HE ARG 66 1.290 27.435 30.255 524 HH11 ARG 66 HH11 ARG 66 0.922 26.718 32.305 525 HH12 ARG 66 HH12 ARG 66 1.182 25.041 32.694 526 HH21 ARG 66 HH21 ARG 66 2.135 24.103 29.547 527 HH22 ARG 66 HH22 ARG 66 1.861 23.599 31.192 528 H1 GLY -3 H1 GLY -3 10.736 -12.901 4.874 529 H2 GLY -3 H2 GLY -3 9.188 -12.555 5.280 530 H3 GLY -3 H3 GLY -3 10.427 -11.879 6.113 531 HA2 GLY -3 HA2 GLY -3 9.805 -11.375 3.282 532 HA3 GLY -3 HA3 GLY -3 9.454 -10.268 4.620 533 HA PRO -2 HA PRO -2 13.880 -9.733 2.869 534 HB2 PRO -2 HB2 PRO -2 13.594 -7.516 1.297 535 HB3 PRO -2 HB3 PRO -2 13.310 -9.183 0.703 536 HG2 PRO -2 HG2 PRO -2 11.242 -7.186 1.700 537 HG3 PRO -2 HG3 PRO -2 11.202 -8.149 0.189 538 HD2 PRO -2 HD2 PRO -2 9.896 -8.952 2.441 539 HD3 PRO -2 HD3 PRO -2 10.694 -10.134 1.361 540 H GLY -1 H GLY -1 15.373 -8.217 3.663 541 HA2 GLY -1 HA2 GLY -1 14.607 -6.713 6.016 542 HA3 GLY -1 HA3 GLY -1 16.211 -6.795 5.296 543 H SER 0 H SER 0 14.252 -4.584 6.282 544 HA SER 0 HA SER 0 15.230 -2.532 4.473 545 HB2 SER 0 HB2 SER 0 13.149 -3.290 3.300 546 HB3 SER 0 HB3 SER 0 12.218 -2.874 4.749 547 HG SER 0 HG SER 0 12.277 -1.196 3.119 548 H MET 1 H MET 1 14.947 -0.385 5.332 549 HA MET 1 HA MET 1 13.900 0.018 8.011 550 HB2 MET 1 HB2 MET 1 15.984 0.630 9.063 551 HB3 MET 1 HB3 MET 1 15.986 -1.070 8.625 552 HG2 MET 1 HG2 MET 1 17.420 1.105 7.038 553 HG3 MET 1 HG3 MET 1 18.136 0.171 8.340 554 HE1 MET 1 HE1 MET 1 18.544 0.564 4.839 555 HE2 MET 1 HE2 MET 1 18.166 -0.954 4.008 556 HE3 MET 1 HE3 MET 1 16.849 0.067 4.626 557 H CYS 2 H CYS 2 13.589 2.114 8.539 558 HA CYS 2 HA CYS 2 14.579 4.259 6.733 559 HB2 CYS 2 HB2 CYS 2 11.734 3.945 7.780 560 HB3 CYS 2 HB3 CYS 2 12.316 5.292 6.791 561 HG CYS 2 HG CYS 2 12.951 3.883 4.689 562 H MET 3 H MET 3 15.160 3.279 9.581 563 HA MET 3 HA MET 3 14.259 5.304 11.434 564 HB2 MET 3 HB2 MET 3 16.432 3.192 11.595 565 HB3 MET 3 HB3 MET 3 15.990 4.236 12.940 566 HG2 MET 3 HG2 MET 3 13.777 3.394 13.046 567 HG3 MET 3 HG3 MET 3 13.915 2.548 11.512 568 HE1 MET 3 HE1 MET 3 16.479 0.887 11.464 569 HE2 MET 3 HE2 MET 3 15.866 -0.616 12.193 570 HE3 MET 3 HE3 MET 3 14.825 0.318 11.102 571 H ALA 4 H ALA 4 15.390 6.842 12.543 572 HA ALA 4 HA ALA 4 17.642 8.155 11.080 573 HB1 ALA 4 HB1 ALA 4 15.545 9.231 13.021 574 HB2 ALA 4 HB2 ALA 4 16.824 10.196 12.267 575 HB3 ALA 4 HB3 ALA 4 15.580 9.454 11.258 576 H LYS 5 H LYS 5 18.979 9.563 12.655 577 HA LYS 5 HA LYS 5 19.260 8.364 15.359 578 HB2 LYS 5 HB2 LYS 5 21.592 8.904 15.507 579 HB3 LYS 5 HB3 LYS 5 21.288 7.693 14.282 580 HG2 LYS 5 HG2 LYS 5 21.618 10.603 13.465 581 HG3 LYS 5 HG3 LYS 5 23.021 9.638 13.940 582 HD2 LYS 5 HD2 LYS 5 22.355 7.895 12.212 583 HD3 LYS 5 HD3 LYS 5 21.140 9.044 11.626 584 HE2 LYS 5 HE2 LYS 5 22.951 10.732 11.263 585 HE3 LYS 5 HE3 LYS 5 24.131 9.559 11.865 586 HZ1 LYS 5 HZ1 LYS 5 24.150 9.482 9.497 587 HZ2 LYS 5 HZ2 LYS 5 23.439 8.091 9.974 588 HZ3 LYS 5 HZ3 LYS 5 22.533 9.331 9.378 589 H VAL 6 H VAL 6 19.389 9.697 17.039 590 HA VAL 6 HA VAL 6 18.513 12.510 16.576 591 HB VAL 6 HB VAL 6 18.389 10.925 19.162 592 HG11 VAL 6 HG11 VAL 6 16.655 12.602 19.778 593 HG12 VAL 6 HG12 VAL 6 18.242 13.321 19.556 594 HG13 VAL 6 HG13 VAL 6 17.020 13.491 18.290 595 HG21 VAL 6 HG21 VAL 6 16.195 11.311 17.093 596 HG22 VAL 6 HG22 VAL 6 16.984 9.776 17.537 597 HG23 VAL 6 HG23 VAL 6 15.981 10.622 18.709 598 H VAL 7 H VAL 7 19.598 14.251 17.478 599 HA VAL 7 HA VAL 7 21.904 13.743 19.279 600 HB VAL 7 HB VAL 7 22.866 13.998 17.062 601 HG11 VAL 7 HG11 VAL 7 21.176 15.407 15.953 602 HG12 VAL 7 HG12 VAL 7 21.635 16.789 16.979 603 HG13 VAL 7 HG13 VAL 7 22.787 16.107 15.813 604 HG21 VAL 7 HG21 VAL 7 24.078 14.900 19.067 605 HG22 VAL 7 HG22 VAL 7 24.498 15.704 17.548 606 HG23 VAL 7 HG23 VAL 7 23.428 16.513 18.698 607 H LEU 8 H LEU 8 22.248 15.172 20.858 608 HA LEU 8 HA LEU 8 20.675 17.653 21.100 609 HB2 LEU 8 HB2 LEU 8 19.675 16.993 23.211 610 HB3 LEU 8 HB3 LEU 8 19.126 15.974 21.900 611 HG LEU 8 HG LEU 8 21.450 14.930 23.499 612 HD11 LEU 8 HD11 LEU 8 18.618 14.965 24.594 613 HD12 LEU 8 HD12 LEU 8 20.000 14.082 25.281 614 HD13 LEU 8 HD13 LEU 8 20.014 15.840 25.268 615 HD21 LEU 8 HD21 LEU 8 20.246 12.795 23.246 616 HD22 LEU 8 HD22 LEU 8 18.879 13.643 22.487 617 HD23 LEU 8 HD23 LEU 8 20.450 13.569 21.665 618 H THR 9 H THR 9 21.286 18.998 22.877 619 HA THR 9 HA THR 9 24.054 18.518 23.919 620 HB THR 9 HB THR 9 22.829 21.237 23.360 621 HG1 THR 9 HG1 THR 9 23.129 20.171 21.436 622 HG21 THR 9 HG21 THR 9 25.707 20.338 23.881 623 HG22 THR 9 HG22 THR 9 25.183 21.986 23.476 624 HG23 THR 9 HG23 THR 9 24.676 21.268 24.999 625 H LYS 10 H LYS 10 24.376 18.670 26.033 626 HA LYS 10 HA LYS 10 22.084 18.960 27.882 627 HB2 LYS 10 HB2 LYS 10 24.983 18.120 28.336 628 HB3 LYS 10 HB3 LYS 10 23.699 18.095 29.552 629 HG2 LYS 10 HG2 LYS 10 22.385 16.534 28.067 630 HG3 LYS 10 HG3 LYS 10 23.791 16.425 27.001 631 HD2 LYS 10 HD2 LYS 10 23.758 15.659 29.954 632 HD3 LYS 10 HD3 LYS 10 23.592 14.527 28.605 633 HE2 LYS 10 HE2 LYS 10 25.828 15.189 27.765 634 HE3 LYS 10 HE3 LYS 10 26.007 16.319 29.119 635 HZ1 LYS 10 HZ1 LYS 10 25.715 13.378 29.420 636 HZ2 LYS 10 HZ2 LYS 10 27.109 14.207 29.583 637 HZ3 LYS 10 HZ3 LYS 10 25.890 14.444 30.643 638 H ALA 11 H ALA 11 22.264 20.214 29.841 639 HA ALA 11 HA ALA 11 22.985 22.936 29.450 640 HB1 ALA 11 HB1 ALA 11 22.393 23.171 31.837 641 HB2 ALA 11 HB2 ALA 11 21.212 22.157 30.980 642 HB3 ALA 11 HB3 ALA 11 22.434 21.412 32.040 643 H ASP 12 H ASP 12 24.896 20.278 30.728 644 HA ASP 12 HA ASP 12 27.043 21.919 31.818 645 HB2 ASP 12 HB2 ASP 12 26.349 19.571 32.539 646 HB3 ASP 12 HB3 ASP 12 27.093 18.969 31.062 647 H GLY 13 H GLY 13 26.148 21.520 28.646 648 HA2 GLY 13 HA2 GLY 13 27.216 22.274 26.730 649 HA3 GLY 13 HA3 GLY 13 28.757 22.317 27.580 650 H GLY 14 H GLY 14 27.632 19.265 28.173 651 HA2 GLY 14 HA2 GLY 14 29.231 17.943 26.089 652 HA3 GLY 14 HA3 GLY 14 28.311 17.165 27.379 653 H ARG 15 H ARG 15 28.275 16.094 24.851 654 HA ARG 15 HA ARG 15 25.470 16.562 23.930 655 HB2 ARG 15 HB2 ARG 15 27.969 16.335 22.219 656 HB3 ARG 15 HB3 ARG 15 26.354 15.960 21.594 657 HG2 ARG 15 HG2 ARG 15 25.551 18.180 22.241 658 HG3 ARG 15 HG3 ARG 15 27.161 18.632 22.829 659 HD2 ARG 15 HD2 ARG 15 28.078 18.525 20.615 660 HD3 ARG 15 HD3 ARG 15 26.615 17.744 19.964 661 HE ARG 15 HE ARG 15 25.597 20.045 20.991 662 HH11 ARG 15 HH11 ARG 15 28.157 19.560 18.644 663 HH12 ARG 15 HH12 ARG 15 27.840 21.085 17.865 664 HH21 ARG 15 HH21 ARG 15 25.262 21.933 19.987 665 HH22 ARG 15 HH22 ARG 15 26.208 22.397 18.603 666 H VAL 16 H VAL 16 24.374 14.915 23.000 667 HA VAL 16 HA VAL 16 25.352 12.133 23.502 668 HB VAL 16 HB VAL 16 22.642 13.228 24.346 669 HG11 VAL 16 HG11 VAL 16 22.375 10.926 23.541 670 HG12 VAL 16 HG12 VAL 16 23.748 10.388 24.534 671 HG13 VAL 16 HG13 VAL 16 22.249 10.969 25.293 672 HG21 VAL 16 HG21 VAL 16 23.360 12.569 26.629 673 HG22 VAL 16 HG22 VAL 16 24.972 12.172 26.003 674 HG23 VAL 16 HG23 VAL 16 24.368 13.847 25.959 675 H GLU 17 H GLU 17 24.691 10.618 22.042 676 HA GLU 17 HA GLU 17 22.876 11.427 19.829 677 HB2 GLU 17 HB2 GLU 17 25.583 10.098 19.514 678 HB3 GLU 17 HB3 GLU 17 24.351 10.178 18.249 679 HG2 GLU 17 HG2 GLU 17 24.451 12.634 18.274 680 HG3 GLU 17 HG3 GLU 17 25.628 12.602 19.596 681 H ILE 18 H ILE 18 21.567 9.846 19.005 682 HA ILE 18 HA ILE 18 21.569 7.166 20.345 683 HB ILE 18 HB ILE 18 19.173 9.019 20.129 684 HG12 ILE 18 HG12 ILE 18 20.699 8.272 22.661 685 HG13 ILE 18 HG13 ILE 18 20.832 9.827 21.839 686 HG21 ILE 18 HG21 ILE 18 18.024 7.307 21.513 687 HG22 ILE 18 HG22 ILE 18 18.606 6.597 20.008 688 HG23 ILE 18 HG23 ILE 18 19.491 6.317 21.524 689 HD11 ILE 18 HD11 ILE 18 19.385 10.171 23.609 690 HD12 ILE 18 HD12 ILE 18 18.383 10.190 22.148 691 HD13 ILE 18 HD13 ILE 18 18.377 8.759 23.219 692 H GLY 19 H GLY 19 21.684 5.717 18.752 693 HA2 GLY 19 HA2 GLY 19 20.812 6.344 16.024 694 HA3 GLY 19 HA3 GLY 19 21.720 4.942 16.545 695 H ASP 20 H ASP 20 19.679 4.882 14.679 696 HA ASP 20 HA ASP 20 17.953 3.611 13.997 697 HB2 ASP 20 HB2 ASP 20 18.763 1.790 16.264 698 HB3 ASP 20 HB3 ASP 20 17.894 1.350 14.795 699 H VAL 21 H VAL 21 16.961 5.683 15.278 700 HA VAL 21 HA VAL 21 14.983 4.897 17.275 701 HB VAL 21 HB VAL 21 16.260 7.082 17.215 702 HG11 VAL 21 HG11 VAL 21 15.368 8.974 16.021 703 HG12 VAL 21 HG12 VAL 21 15.760 7.709 14.846 704 HG13 VAL 21 HG13 VAL 21 14.073 7.993 15.321 705 HG21 VAL 21 HG21 VAL 21 13.253 7.199 17.511 706 HG22 VAL 21 HG22 VAL 21 14.412 6.646 18.747 707 HG23 VAL 21 HG23 VAL 21 14.426 8.324 18.209 708 H LEU 22 H LEU 22 12.939 4.315 16.965 709 HA LEU 22 HA LEU 22 11.768 4.114 14.254 710 HB2 LEU 22 HB2 LEU 22 10.850 3.233 17.029 711 HB3 LEU 22 HB3 LEU 22 9.875 3.041 15.579 712 HG LEU 22 HG LEU 22 12.593 1.729 15.979 713 HD11 LEU 22 HD11 LEU 22 9.738 0.692 16.269 714 HD12 LEU 22 HD12 LEU 22 11.171 -0.344 16.229 715 HD13 LEU 22 HD13 LEU 22 10.961 0.823 17.552 716 HD21 LEU 22 HD21 LEU 22 10.415 1.186 13.912 717 HD22 LEU 22 HD22 LEU 22 11.931 2.039 13.573 718 HD23 LEU 22 HD23 LEU 22 11.969 0.346 14.064 719 H GLU 23 H GLU 23 11.328 5.956 17.264 720 HA GLU 23 HA GLU 23 9.694 7.938 15.861 721 HB2 GLU 23 HB2 GLU 23 8.008 6.300 16.454 722 HB3 GLU 23 HB3 GLU 23 8.539 6.298 18.145 723 HG2 GLU 23 HG2 GLU 23 7.797 8.628 18.404 724 HG3 GLU 23 HG3 GLU 23 7.431 8.730 16.684 725 H VAL 24 H VAL 24 9.734 9.943 16.780 726 HA VAL 24 HA VAL 24 10.759 10.252 19.560 727 HB VAL 24 HB VAL 24 11.903 12.299 19.055 728 HG11 VAL 24 HG11 VAL 24 13.145 10.139 18.842 729 HG12 VAL 24 HG12 VAL 24 12.899 10.191 17.090 730 HG13 VAL 24 HG13 VAL 24 13.840 11.470 17.890 731 HG21 VAL 24 HG21 VAL 24 11.401 11.767 16.112 732 HG22 VAL 24 HG22 VAL 24 10.592 13.043 17.039 733 HG23 VAL 24 HG23 VAL 24 12.328 13.117 16.806 734 H ARG 25 H ARG 25 9.715 11.794 20.805 735 HA ARG 25 HA ARG 25 7.436 13.330 19.611 736 HB2 ARG 25 HB2 ARG 25 7.269 11.641 22.142 737 HB3 ARG 25 HB3 ARG 25 6.001 12.678 21.492 738 HG2 ARG 25 HG2 ARG 25 5.879 11.196 19.463 739 HG3 ARG 25 HG3 ARG 25 7.082 10.139 20.204 740 HD2 ARG 25 HD2 ARG 25 5.581 9.848 22.170 741 HD3 ARG 25 HD3 ARG 25 4.337 10.813 21.340 742 HE ARG 25 HE ARG 25 4.933 8.839 19.506 743 HH11 ARG 25 HH11 ARG 25 3.666 8.750 22.772 744 HH12 ARG 25 HH12 ARG 25 3.042 7.133 22.566 745 HH21 ARG 25 HH21 ARG 25 4.368 6.751 19.403 746 HH22 ARG 25 HH22 ARG 25 3.327 6.064 20.639 747 H ALA 26 H ALA 26 7.135 15.313 20.460 748 HA ALA 26 HA ALA 26 8.715 16.160 22.848 749 HB1 ALA 26 HB1 ALA 26 7.140 17.798 20.815 750 HB2 ALA 26 HB2 ALA 26 8.054 18.440 22.196 751 HB3 ALA 26 HB3 ALA 26 8.908 17.613 20.869 752 H GLU 27 H GLU 27 7.700 16.065 24.761 753 HA GLU 27 HA GLU 27 4.759 16.282 25.012 754 HB2 GLU 27 HB2 GLU 27 5.254 13.935 24.227 755 HB3 GLU 27 HB3 GLU 27 6.234 13.697 25.680 756 HG2 GLU 27 HG2 GLU 27 4.190 14.151 27.072 757 HG3 GLU 27 HG3 GLU 27 3.268 14.397 25.580 758 H GLY 28 H GLY 28 4.202 17.142 26.951 759 HA2 GLY 28 HA2 GLY 28 4.244 17.746 29.159 760 HA3 GLY 28 HA3 GLY 28 5.250 16.317 29.437 761 H GLY 29 H GLY 29 6.367 19.012 27.405 762 HA2 GLY 29 HA2 GLY 29 8.036 20.625 27.763 763 HA3 GLY 29 HA3 GLY 29 8.002 20.275 29.494 764 H ALA 30 H ALA 30 8.465 17.607 27.288 765 HA ALA 30 HA ALA 30 11.418 17.591 27.519 766 HB1 ALA 30 HB1 ALA 30 11.347 15.292 28.419 767 HB2 ALA 30 HB2 ALA 30 10.436 16.371 29.501 768 HB3 ALA 30 HB3 ALA 30 9.576 15.305 28.369 769 H VAL 31 H VAL 31 12.363 15.797 26.170 770 HA VAL 31 HA VAL 31 10.555 14.929 23.941 771 HB VAL 31 HB VAL 31 13.540 15.362 23.834 772 HG11 VAL 31 HG11 VAL 31 11.759 13.901 21.820 773 HG12 VAL 31 HG12 VAL 31 13.376 14.512 21.463 774 HG13 VAL 31 HG13 VAL 31 13.185 13.245 22.668 775 HG21 VAL 31 HG21 VAL 31 11.248 16.328 22.054 776 HG22 VAL 31 HG22 VAL 31 11.937 17.267 23.384 777 HG23 VAL 31 HG23 VAL 31 12.951 16.845 21.993 778 H ARG 32 H ARG 32 10.298 12.871 23.504 779 HA ARG 32 HA ARG 32 11.755 10.780 25.078 780 HB2 ARG 32 HB2 ARG 32 8.845 10.793 24.174 781 HB3 ARG 32 HB3 ARG 32 9.683 9.382 24.841 782 HG2 ARG 32 HG2 ARG 32 10.048 10.524 26.979 783 HG3 ARG 32 HG3 ARG 32 9.387 12.022 26.325 784 HD2 ARG 32 HD2 ARG 32 7.663 11.026 27.652 785 HD3 ARG 32 HD3 ARG 32 7.203 10.881 25.943 786 HE ARG 32 HE ARG 32 8.622 8.526 27.025 787 HH11 ARG 32 HH11 ARG 32 5.378 9.886 26.616 788 HH12 ARG 32 HH12 ARG 32 4.664 8.301 26.831 789 HH21 ARG 32 HH21 ARG 32 7.694 6.710 27.258 790 HH22 ARG 32 HH22 ARG 32 5.939 6.503 27.206 791 H VAL 33 H VAL 33 12.490 9.052 23.973 792 HA VAL 33 HA VAL 33 12.045 8.893 21.023 793 HB VAL 33 HB VAL 33 14.314 8.785 20.470 794 HG11 VAL 33 HG11 VAL 33 14.228 11.061 22.483 795 HG12 VAL 33 HG12 VAL 33 15.187 10.962 20.998 796 HG13 VAL 33 HG13 VAL 33 13.428 11.113 20.898 797 HG21 VAL 33 HG21 VAL 33 16.175 9.023 22.065 798 HG22 VAL 33 HG22 VAL 33 15.022 8.879 23.411 799 HG23 VAL 33 HG23 VAL 33 15.291 7.520 22.290 800 H THR 34 H THR 34 12.042 6.865 20.155 801 HA THR 34 HA THR 34 12.443 4.535 22.012 802 HB THR 34 HB THR 34 10.107 5.019 20.135 803 HG1 THR 34 HG1 THR 34 9.947 6.193 22.040 804 HG21 THR 34 HG21 THR 34 10.584 2.609 20.245 805 HG22 THR 34 HG22 THR 34 10.685 2.696 22.026 806 HG23 THR 34 HG23 THR 34 9.140 2.983 21.194 807 H THR 35 H THR 35 13.468 2.773 21.182 808 HA THR 35 HA THR 35 14.308 2.876 18.302 809 HB THR 35 HB THR 35 16.367 1.858 18.918 810 HG1 THR 35 HG1 THR 35 16.789 1.466 21.161 811 HG21 THR 35 HG21 THR 35 16.229 4.324 19.285 812 HG22 THR 35 HG22 THR 35 15.852 4.029 21.000 813 HG23 THR 35 HG23 THR 35 17.410 3.515 20.324 814 H LEU 36 H LEU 36 15.053 0.777 17.404 815 HA LEU 36 HA LEU 36 12.930 -1.065 17.232 816 HB2 LEU 36 HB2 LEU 36 14.215 -2.168 15.640 817 HB3 LEU 36 HB3 LEU 36 14.698 -0.496 15.511 818 HG LEU 36 HG LEU 36 16.278 -2.763 16.843 819 HD11 LEU 36 HD11 LEU 36 17.823 -2.449 14.980 820 HD12 LEU 36 HD12 LEU 36 16.193 -2.785 14.355 821 HD13 LEU 36 HD13 LEU 36 16.832 -1.118 14.340 822 HD21 LEU 36 HD21 LEU 36 18.165 -1.076 16.886 823 HD22 LEU 36 HD22 LEU 36 16.968 0.183 16.536 824 HD23 LEU 36 HD23 LEU 36 16.876 -0.737 18.047 825 H PHE 37 H PHE 37 15.320 -1.034 19.684 826 HA PHE 37 HA PHE 37 15.145 -3.896 20.318 827 HB2 PHE 37 HB2 PHE 37 16.340 -1.602 21.908 828 HB3 PHE 37 HB3 PHE 37 16.612 -3.312 22.188 829 HD1 PHE 37 HD1 PHE 37 17.327 -4.576 19.771 830 HD2 PHE 37 HD2 PHE 37 18.252 -0.551 21.021 831 HE1 PHE 37 HE1 PHE 37 19.285 -4.557 18.258 832 HE2 PHE 37 HE2 PHE 37 20.226 -0.538 19.521 833 HZ PHE 37 HZ PHE 37 20.739 -2.534 18.115 834 H ASP 38 H ASP 38 12.866 -1.606 20.568 835 HA ASP 38 HA ASP 38 11.143 -1.045 21.827 836 HB2 ASP 38 HB2 ASP 38 11.443 -3.599 23.408 837 HB3 ASP 38 HB3 ASP 38 10.035 -2.554 23.325 838 H GLU 39 H GLU 39 14.030 -0.527 22.692 839 HA GLU 39 HA GLU 39 13.663 0.291 25.502 840 HB2 GLU 39 HB2 GLU 39 15.921 0.662 23.504 841 HB3 GLU 39 HB3 GLU 39 15.924 1.417 25.092 842 HG2 GLU 39 HG2 GLU 39 15.837 -1.565 24.545 843 HG3 GLU 39 HG3 GLU 39 17.230 -0.625 25.074 844 H GLU 40 H GLU 40 13.900 2.412 26.198 845 HA GLU 40 HA GLU 40 13.048 4.576 24.392 846 HB2 GLU 40 HB2 GLU 40 10.993 3.459 25.075 847 HB3 GLU 40 HB3 GLU 40 11.391 3.636 26.779 848 HG2 GLU 40 HG2 GLU 40 11.366 6.160 25.156 849 HG3 GLU 40 HG3 GLU 40 9.829 5.320 25.288 850 H HIS 41 H HIS 41 13.632 6.589 25.055 851 HA HIS 41 HA HIS 41 14.924 6.977 27.712 852 HB2 HIS 41 HB2 HIS 41 16.145 7.937 25.104 853 HB3 HIS 41 HB3 HIS 41 16.799 8.151 26.717 854 HD2 HIS 41 HD2 HIS 41 16.740 5.738 23.808 855 HE1 HIS 41 HE1 HIS 41 18.789 3.673 26.932 856 HE2 HIS 41 HE2 HIS 41 18.213 3.649 24.454 857 H ALA 42 H ALA 42 14.962 9.194 28.409 858 HA ALA 42 HA ALA 42 13.178 11.072 26.974 859 HB1 ALA 42 HB1 ALA 42 11.760 9.717 28.499 860 HB2 ALA 42 HB2 ALA 42 12.771 10.211 29.874 861 HB3 ALA 42 HB3 ALA 42 11.814 11.418 28.985 862 H PHE 43 H PHE 43 13.531 13.173 27.283 863 HA PHE 43 HA PHE 43 15.867 14.063 28.930 864 HB2 PHE 43 HB2 PHE 43 15.415 14.600 25.982 865 HB3 PHE 43 HB3 PHE 43 16.743 15.215 26.973 866 HD1 PHE 43 HD1 PHE 43 18.419 13.571 27.950 867 HD2 PHE 43 HD2 PHE 43 15.474 12.405 25.018 868 HE1 PHE 43 HE1 PHE 43 19.659 11.449 27.537 869 HE2 PHE 43 HE2 PHE 43 16.710 10.305 24.615 870 HZ PHE 43 HZ PHE 43 18.788 9.806 25.894 871 HA PRO 44 HA PRO 44 12.503 17.032 29.755 872 HB2 PRO 44 HB2 PRO 44 14.371 17.640 32.033 873 HB3 PRO 44 HB3 PRO 44 12.584 17.490 32.042 874 HG2 PRO 44 HG2 PRO 44 14.103 15.459 32.955 875 HG3 PRO 44 HG3 PRO 44 12.707 15.109 31.885 876 HD2 PRO 44 HD2 PRO 44 15.640 15.335 31.147 877 HD3 PRO 44 HD3 PRO 44 14.468 14.061 30.705 878 H GLY 45 H GLY 45 12.258 19.207 29.428 879 HA2 GLY 45 HA2 GLY 45 12.806 21.434 29.123 880 HA3 GLY 45 HA3 GLY 45 14.516 21.086 29.355 881 H LEU 46 H LEU 46 13.345 18.930 27.033 882 HA LEU 46 HA LEU 46 14.310 20.672 24.808 883 HB2 LEU 46 HB2 LEU 46 14.245 17.646 24.993 884 HB3 LEU 46 HB3 LEU 46 14.850 18.591 23.636 885 HG LEU 46 HG LEU 46 16.068 18.453 26.420 886 HD11 LEU 46 HD11 LEU 46 17.924 17.388 25.292 887 HD12 LEU 46 HD12 LEU 46 16.436 16.516 24.898 888 HD13 LEU 46 HD13 LEU 46 17.152 17.612 23.705 889 HD21 LEU 46 HD21 LEU 46 16.959 20.079 23.993 890 HD22 LEU 46 HD22 LEU 46 16.435 20.734 25.565 891 HD23 LEU 46 HD23 LEU 46 17.933 19.808 25.451 892 H ALA 47 H ALA 47 13.491 20.419 22.751 893 HA ALA 47 HA ALA 47 10.951 19.049 22.213 894 HB1 ALA 47 HB1 ALA 47 10.224 21.328 22.787 895 HB2 ALA 47 HB2 ALA 47 11.390 22.009 21.628 896 HB3 ALA 47 HB3 ALA 47 10.023 21.032 21.054 897 H ILE 48 H ILE 48 10.625 18.835 19.812 898 HA ILE 48 HA ILE 48 13.156 18.140 18.525 899 HB ILE 48 HB ILE 48 10.325 18.068 17.456 900 HG12 ILE 48 HG12 ILE 48 11.881 15.593 18.284 901 HG13 ILE 48 HG13 ILE 48 11.025 16.511 19.514 902 HG21 ILE 48 HG21 ILE 48 11.947 18.083 15.605 903 HG22 ILE 48 HG22 ILE 48 12.921 16.826 16.404 904 HG23 ILE 48 HG23 ILE 48 11.311 16.440 15.778 905 HD11 ILE 48 HD11 ILE 48 9.707 15.322 17.043 906 HD12 ILE 48 HD12 ILE 48 9.621 14.716 18.710 907 HD13 ILE 48 HD13 ILE 48 8.896 16.279 18.306 908 H GLY 49 H GLY 49 14.383 19.426 17.285 909 HA2 GLY 49 HA2 GLY 49 13.421 22.161 16.598 910 HA3 GLY 49 HA3 GLY 49 15.091 21.610 16.763 911 H ARG 50 H ARG 50 15.329 19.507 15.062 912 HA ARG 50 HA ARG 50 14.356 20.377 12.375 913 HB2 ARG 50 HB2 ARG 50 17.317 20.011 13.018 914 HB3 ARG 50 HB3 ARG 50 16.622 20.279 11.422 915 HG2 ARG 50 HG2 ARG 50 15.791 22.525 12.206 916 HG3 ARG 50 HG3 ARG 50 16.669 22.267 13.725 917 HD2 ARG 50 HD2 ARG 50 18.776 22.039 12.525 918 HD3 ARG 50 HD3 ARG 50 17.951 22.147 10.957 919 HE ARG 50 HE ARG 50 17.274 24.515 12.300 920 HH11 ARG 50 HH11 ARG 50 20.280 23.076 11.169 921 HH12 ARG 50 HH12 ARG 50 20.990 24.642 10.878 922 HH21 ARG 50 HH21 ARG 50 18.155 26.360 11.878 923 HH22 ARG 50 HH22 ARG 50 19.834 26.511 11.330 924 H VAL 51 H VAL 51 14.630 18.937 10.701 925 HA VAL 51 HA VAL 51 15.475 16.151 11.281 926 HB VAL 51 HB VAL 51 12.963 16.760 9.677 927 HG11 VAL 51 HG11 VAL 51 14.106 14.168 10.832 928 HG12 VAL 51 HG12 VAL 51 12.577 14.318 9.940 929 HG13 VAL 51 HG13 VAL 51 14.102 14.642 9.120 930 HG21 VAL 51 HG21 VAL 51 11.640 15.831 11.523 931 HG22 VAL 51 HG22 VAL 51 13.092 15.810 12.557 932 HG23 VAL 51 HG23 VAL 51 12.414 17.342 11.973 933 H ASP 52 H ASP 52 16.834 15.434 9.708 934 HA ASP 52 HA ASP 52 16.663 16.594 6.953 935 HB2 ASP 52 HB2 ASP 52 18.589 17.648 7.988 936 HB3 ASP 52 HB3 ASP 52 19.187 16.078 8.562 937 H LEU 53 H LEU 53 15.973 14.995 5.695 938 HA LEU 53 HA LEU 53 16.314 12.191 6.461 939 HB2 LEU 53 HB2 LEU 53 14.944 13.500 4.067 940 HB3 LEU 53 HB3 LEU 53 14.937 11.788 4.440 941 HG LEU 53 HG LEU 53 12.887 12.553 5.082 942 HD11 LEU 53 HD11 LEU 53 13.938 11.047 6.745 943 HD12 LEU 53 HD12 LEU 53 14.446 12.465 7.698 944 HD13 LEU 53 HD13 LEU 53 12.733 12.103 7.486 945 HD21 LEU 53 HD21 LEU 53 14.056 14.813 6.750 946 HD22 LEU 53 HD22 LEU 53 13.237 14.958 5.184 947 HD23 LEU 53 HD23 LEU 53 12.356 14.388 6.600 948 H ARG 54 H ARG 54 18.139 14.345 4.506 949 HA ARG 54 HA ARG 54 19.300 12.404 2.660 950 HB2 ARG 54 HB2 ARG 54 20.258 15.106 3.673 951 HB3 ARG 54 HB3 ARG 54 21.050 14.201 2.381 952 HG2 ARG 54 HG2 ARG 54 19.174 14.371 0.909 953 HG3 ARG 54 HG3 ARG 54 18.115 14.975 2.191 954 HD2 ARG 54 HD2 ARG 54 20.535 16.485 1.125 955 HD3 ARG 54 HD3 ARG 54 18.854 16.752 0.614 956 HE ARG 54 HE ARG 54 19.243 16.887 3.521 957 HH11 ARG 54 HH11 ARG 54 19.214 18.975 0.674 958 HH12 ARG 54 HH12 ARG 54 18.841 20.363 1.665 959 HH21 ARG 54 HH21 ARG 54 18.836 18.511 4.586 960 HH22 ARG 54 HH22 ARG 54 18.530 20.113 3.905 961 H SER 55 H SER 55 20.438 13.796 5.763 962 HA SER 55 HA SER 55 22.530 11.729 6.037 963 HB2 SER 55 HB2 SER 55 21.652 13.811 8.066 964 HB3 SER 55 HB3 SER 55 23.170 12.903 8.024 965 HG SER 55 HG SER 55 22.253 15.006 6.379 966 H GLY 56 H GLY 56 19.221 12.096 7.024 967 HA2 GLY 56 HA2 GLY 56 17.816 10.686 8.227 968 HA3 GLY 56 HA3 GLY 56 19.162 9.558 8.491 969 H VAL 57 H VAL 57 18.960 13.041 9.329 970 HA VAL 57 HA VAL 57 19.663 12.341 12.156 971 HB VAL 57 HB VAL 57 20.491 14.684 10.431 972 HG11 VAL 57 HG11 VAL 57 21.830 15.465 12.384 973 HG12 VAL 57 HG12 VAL 57 20.097 15.623 12.648 974 HG13 VAL 57 HG13 VAL 57 20.982 14.284 13.415 975 HG21 VAL 57 HG21 VAL 57 22.753 13.849 10.872 976 HG22 VAL 57 HG22 VAL 57 22.106 12.577 11.929 977 HG23 VAL 57 HG23 VAL 57 21.767 12.548 10.184 978 H ILE 58 H ILE 58 18.609 13.157 13.818 979 HA ILE 58 HA ILE 58 16.507 15.266 13.427 980 HB ILE 58 HB ILE 58 16.519 12.782 15.171 981 HG12 ILE 58 HG12 ILE 58 14.482 13.889 13.190 982 HG13 ILE 58 HG13 ILE 58 15.669 12.648 12.817 983 HG21 ILE 58 HG21 ILE 58 14.594 15.122 15.424 984 HG22 ILE 58 HG22 ILE 58 14.512 13.576 16.309 985 HG23 ILE 58 HG23 ILE 58 15.829 14.684 16.625 986 HD11 ILE 58 HD11 ILE 58 14.645 11.176 14.569 987 HD12 ILE 58 HD12 ILE 58 13.348 12.394 14.753 988 HD13 ILE 58 HD13 ILE 58 13.581 11.574 13.204 989 H SER 59 H SER 59 16.873 17.079 14.561 990 HA SER 59 HA SER 59 19.003 17.065 16.691 991 HB2 SER 59 HB2 SER 59 18.141 19.365 14.925 992 HB3 SER 59 HB3 SER 59 19.447 19.377 16.121 993 HG SER 59 HG SER 59 20.623 17.976 14.860 994 H LEU 60 H LEU 60 18.403 17.596 18.686 995 HA LEU 60 HA LEU 60 15.703 18.746 19.156 996 HB2 LEU 60 HB2 LEU 60 17.628 17.653 21.214 997 HB3 LEU 60 HB3 LEU 60 15.923 18.037 21.415 998 HG LEU 60 HG LEU 60 17.090 15.731 19.806 999 HD11 LEU 60 HD11 LEU 60 15.837 14.365 21.448 1000 HD12 LEU 60 HD12 LEU 60 17.006 15.422 22.256 1001 HD13 LEU 60 HD13 LEU 60 15.291 15.854 22.253 1002 HD21 LEU 60 HD21 LEU 60 15.136 16.529 18.569 1003 HD22 LEU 60 HD22 LEU 60 14.743 15.038 19.408 1004 HD23 LEU 60 HD23 LEU 60 14.183 16.599 20.070 1005 H ILE 61 H ILE 61 15.334 20.456 20.562 1006 HA ILE 61 HA ILE 61 17.539 22.367 21.171 1007 HB ILE 61 HB ILE 61 16.161 24.245 20.310 1008 HG12 ILE 61 HG12 ILE 61 14.530 23.646 18.402 1009 HG13 ILE 61 HG13 ILE 61 14.348 22.079 19.180 1010 HG21 ILE 61 HG21 ILE 61 18.053 23.278 19.049 1011 HG22 ILE 61 HG22 ILE 61 16.915 22.250 18.154 1012 HG23 ILE 61 HG23 ILE 61 16.832 24.020 18.010 1013 HD11 ILE 61 HD11 ILE 61 13.430 23.170 21.185 1014 HD12 ILE 61 HD12 ILE 61 13.777 24.774 20.486 1015 HD13 ILE 61 HD13 ILE 61 12.565 23.704 19.752 1016 H GLU 62 H GLU 62 16.777 24.136 22.683 1017 HA GLU 62 HA GLU 62 15.375 22.910 24.912 1018 HB2 GLU 62 HB2 GLU 62 16.322 25.752 24.485 1019 HB3 GLU 62 HB3 GLU 62 15.639 25.124 25.992 1020 HG2 GLU 62 HG2 GLU 62 17.444 23.415 26.091 1021 HG3 GLU 62 HG3 GLU 62 18.202 24.139 24.668 1022 H GLU 63 H GLU 63 13.305 23.045 25.561 1023 HA GLU 63 HA GLU 63 11.320 23.990 23.680 1024 HB2 GLU 63 HB2 GLU 63 9.717 22.967 25.105 1025 HB3 GLU 63 HB3 GLU 63 11.128 21.950 25.004 1026 HG2 GLU 63 HG2 GLU 63 10.822 21.743 27.217 1027 HG3 GLU 63 HG3 GLU 63 11.826 23.179 27.266 1028 H GLN 64 H GLN 64 12.767 25.516 26.421 1029 HA GLN 64 HA GLN 64 11.324 28.014 25.855 1030 HB2 GLN 64 HB2 GLN 64 11.359 26.709 28.611 1031 HB3 GLN 64 HB3 GLN 64 11.166 28.445 28.387 1032 HG2 GLN 64 HG2 GLN 64 9.137 28.099 27.021 1033 HG3 GLN 64 HG3 GLN 64 9.275 26.355 27.246 1034 HE21 GLN 64 HE21 GLN 64 9.175 25.508 29.513 1035 HE22 GLN 64 HE22 GLN 64 8.209 26.409 30.689 1036 H ASN 65 H ASN 65 12.508 29.853 26.376 1037 HA ASN 65 HA ASN 65 15.387 29.417 27.047 1038 HB2 ASN 65 HB2 ASN 65 14.261 31.455 25.103 1039 HB3 ASN 65 HB3 ASN 65 15.955 31.062 25.374 1040 HD21 ASN 65 HD21 ASN 65 16.317 28.443 25.090 1041 HD22 ASN 65 HD22 ASN 65 15.614 27.855 23.591 1042 H ARG 66 H ARG 66 12.843 30.547 28.586 1043 HA ARG 66 HA ARG 66 13.566 33.261 29.338 1044 HB2 ARG 66 HB2 ARG 66 11.634 31.258 30.572 1045 HB3 ARG 66 HB3 ARG 66 11.836 32.935 31.106 1046 HG2 ARG 66 HG2 ARG 66 11.171 33.743 28.836 1047 HG3 ARG 66 HG3 ARG 66 10.946 32.073 28.309 1048 HD2 ARG 66 HD2 ARG 66 8.771 32.970 28.862 1049 HD3 ARG 66 HD3 ARG 66 9.201 31.760 30.067 1050 HE ARG 66 HE ARG 66 9.281 33.373 31.724 1051 HH11 ARG 66 HH11 ARG 66 9.033 35.084 28.662 1052 HH12 ARG 66 HH12 ARG 66 8.729 36.613 29.451 1053 HH21 ARG 66 HH21 ARG 66 8.892 35.339 32.635 1054 HH22 ARG 66 HH22 ARG 66 8.648 36.741 31.633 Start of MODEL 8 1 H1 GLY -3 H1 GLY -3 18.322 -2.453 -5.040 2 H2 GLY -3 H2 GLY -3 17.307 -1.184 -5.215 3 H3 GLY -3 H3 GLY -3 18.819 -0.945 -4.627 4 HA2 GLY -3 HA2 GLY -3 19.816 -1.572 -6.725 5 HA3 GLY -3 HA3 GLY -3 18.179 -1.854 -7.345 6 HA PRO -2 HA PRO -2 19.277 2.532 -8.439 7 HB2 PRO -2 HB2 PRO -2 18.211 2.509 -10.969 8 HB3 PRO -2 HB3 PRO -2 19.857 1.924 -10.591 9 HG2 PRO -2 HG2 PRO -2 17.317 0.287 -10.889 10 HG3 PRO -2 HG3 PRO -2 18.921 -0.014 -11.628 11 HD2 PRO -2 HD2 PRO -2 18.124 -1.285 -9.371 12 HD3 PRO -2 HD3 PRO -2 19.831 -0.761 -9.577 13 H GLY -1 H GLY -1 17.930 4.249 -8.154 14 HA2 GLY -1 HA2 GLY -1 16.046 5.504 -7.782 15 HA3 GLY -1 HA3 GLY -1 15.120 4.326 -8.714 16 H SER 0 H SER 0 16.669 2.863 -6.029 17 HA SER 0 HA SER 0 14.109 2.302 -4.744 18 HB2 SER 0 HB2 SER 0 16.962 1.534 -4.024 19 HB3 SER 0 HB3 SER 0 15.511 0.917 -3.218 20 HG SER 0 HG SER 0 15.912 0.723 -6.036 21 H MET 1 H MET 1 16.435 4.785 -4.224 22 HA MET 1 HA MET 1 16.093 5.165 -1.386 23 HB2 MET 1 HB2 MET 1 17.221 7.268 -1.691 24 HB3 MET 1 HB3 MET 1 18.042 6.004 -2.610 25 HG2 MET 1 HG2 MET 1 16.931 6.816 -4.686 26 HG3 MET 1 HG3 MET 1 16.169 8.110 -3.760 27 HE1 MET 1 HE1 MET 1 19.075 10.517 -2.907 28 HE2 MET 1 HE2 MET 1 17.329 10.207 -2.851 29 HE3 MET 1 HE3 MET 1 18.434 9.253 -1.838 30 H CYS 2 H CYS 2 14.940 6.712 -0.232 31 HA CYS 2 HA CYS 2 12.859 8.344 -1.496 32 HB2 CYS 2 HB2 CYS 2 10.996 7.244 -0.304 33 HB3 CYS 2 HB3 CYS 2 11.788 6.129 -1.423 34 HG CYS 2 HG CYS 2 12.135 6.414 1.872 35 H MET 3 H MET 3 11.569 9.510 0.178 36 HA MET 3 HA MET 3 13.090 10.144 2.672 37 HB2 MET 3 HB2 MET 3 11.918 12.189 0.736 38 HB3 MET 3 HB3 MET 3 12.649 12.515 2.309 39 HG2 MET 3 HG2 MET 3 14.314 13.084 0.830 40 HG3 MET 3 HG3 MET 3 14.802 11.535 1.493 41 HE1 MET 3 HE1 MET 3 13.348 13.443 -1.643 42 HE2 MET 3 HE2 MET 3 13.248 12.145 -2.855 43 HE3 MET 3 HE3 MET 3 12.144 12.146 -1.477 44 H ALA 4 H ALA 4 11.730 11.688 4.066 45 HA ALA 4 HA ALA 4 9.246 10.374 4.766 46 HB1 ALA 4 HB1 ALA 4 10.889 11.297 6.394 47 HB2 ALA 4 HB2 ALA 4 10.515 12.942 5.807 48 HB3 ALA 4 HB3 ALA 4 9.281 11.977 6.622 49 H LYS 5 H LYS 5 7.437 11.942 5.463 50 HA LYS 5 HA LYS 5 6.857 14.160 3.578 51 HB2 LYS 5 HB2 LYS 5 4.513 13.421 3.327 52 HB3 LYS 5 HB3 LYS 5 5.665 12.310 2.599 53 HG2 LYS 5 HG2 LYS 5 5.465 10.805 4.581 54 HG3 LYS 5 HG3 LYS 5 4.239 11.894 5.274 55 HD2 LYS 5 HD2 LYS 5 2.785 11.512 3.330 56 HD3 LYS 5 HD3 LYS 5 4.005 10.492 2.559 57 HE2 LYS 5 HE2 LYS 5 2.653 9.896 5.238 58 HE3 LYS 5 HE3 LYS 5 2.152 9.232 3.679 59 HZ1 LYS 5 HZ1 LYS 5 4.804 8.758 4.936 60 HZ2 LYS 5 HZ2 LYS 5 3.591 7.686 4.850 61 HZ3 LYS 5 HZ3 LYS 5 4.328 8.170 3.479 62 H VAL 6 H VAL 6 5.691 15.839 4.432 63 HA VAL 6 HA VAL 6 5.510 15.903 7.418 64 HB VAL 6 HB VAL 6 5.396 18.285 5.562 65 HG11 VAL 6 HG11 VAL 6 5.924 18.041 8.548 66 HG12 VAL 6 HG12 VAL 6 6.061 19.539 7.601 67 HG13 VAL 6 HG13 VAL 6 4.494 18.764 7.771 68 HG21 VAL 6 HG21 VAL 6 7.762 18.722 6.229 69 HG22 VAL 6 HG22 VAL 6 7.827 17.101 6.954 70 HG23 VAL 6 HG23 VAL 6 7.569 17.307 5.202 71 H VAL 7 H VAL 7 3.599 16.362 8.469 72 HA VAL 7 HA VAL 7 1.279 17.356 6.913 73 HB VAL 7 HB VAL 7 0.919 14.954 7.147 74 HG11 VAL 7 HG11 VAL 7 0.494 13.904 9.318 75 HG12 VAL 7 HG12 VAL 7 2.140 14.529 9.274 76 HG13 VAL 7 HG13 VAL 7 0.880 15.418 10.167 77 HG21 VAL 7 HG21 VAL 7 -1.324 15.008 8.008 78 HG22 VAL 7 HG22 VAL 7 -1.014 16.468 8.964 79 HG23 VAL 7 HG23 VAL 7 -1.026 16.546 7.186 80 H LEU 8 H LEU 8 -0.071 18.747 7.970 81 HA LEU 8 HA LEU 8 0.422 19.484 10.784 82 HB2 LEU 8 HB2 LEU 8 0.904 21.817 10.259 83 HB3 LEU 8 HB3 LEU 8 2.152 20.743 9.692 84 HG LEU 8 HG LEU 8 0.094 21.308 7.625 85 HD11 LEU 8 HD11 LEU 8 0.090 23.480 8.776 86 HD12 LEU 8 HD12 LEU 8 1.865 23.578 8.579 87 HD13 LEU 8 HD13 LEU 8 0.800 23.578 7.154 88 HD21 LEU 8 HD21 LEU 8 2.070 21.685 6.218 89 HD22 LEU 8 HD22 LEU 8 3.126 21.633 7.633 90 HD23 LEU 8 HD23 LEU 8 2.245 20.179 7.115 91 H THR 9 H THR 9 -1.043 20.931 11.669 92 HA THR 9 HA THR 9 -3.500 21.574 10.081 93 HB THR 9 HB THR 9 -3.428 21.329 13.105 94 HG1 THR 9 HG1 THR 9 -3.083 19.294 12.214 95 HG21 THR 9 HG21 THR 9 -5.261 22.713 12.185 96 HG22 THR 9 HG22 THR 9 -5.709 21.405 11.079 97 HG23 THR 9 HG23 THR 9 -5.897 21.183 12.826 98 H LYS 10 H LYS 10 -3.759 23.650 9.717 99 HA LYS 10 HA LYS 10 -1.893 25.676 10.715 100 HB2 LYS 10 HB2 LYS 10 -4.267 25.748 8.803 101 HB3 LYS 10 HB3 LYS 10 -3.203 27.130 9.130 102 HG2 LYS 10 HG2 LYS 10 -1.257 25.757 8.375 103 HG3 LYS 10 HG3 LYS 10 -2.377 24.477 7.892 104 HD2 LYS 10 HD2 LYS 10 -2.325 27.323 6.777 105 HD3 LYS 10 HD3 LYS 10 -1.605 25.911 6.030 106 HE2 LYS 10 HE2 LYS 10 -3.534 25.927 4.857 107 HE3 LYS 10 HE3 LYS 10 -4.056 24.903 6.196 108 HZ1 LYS 10 HZ1 LYS 10 -4.524 27.838 6.013 109 HZ2 LYS 10 HZ2 LYS 10 -5.642 26.719 5.648 110 HZ3 LYS 10 HZ3 LYS 10 -5.139 26.875 7.183 111 H ALA 11 H ALA 11 -2.684 27.799 11.467 112 HA ALA 11 HA ALA 11 -4.149 27.562 13.874 113 HB1 ALA 11 HB1 ALA 11 -3.878 30.006 13.971 114 HB2 ALA 11 HB2 ALA 11 -2.379 29.227 13.416 115 HB3 ALA 11 HB3 ALA 11 -3.436 30.048 12.247 116 H ASP 12 H ASP 12 -5.382 28.212 10.644 117 HA ASP 12 HA ASP 12 -8.018 29.132 11.580 118 HB2 ASP 12 HB2 ASP 12 -8.551 29.356 9.248 119 HB3 ASP 12 HB3 ASP 12 -7.013 30.134 9.594 120 H GLY 13 H GLY 13 -6.613 26.149 11.595 121 HA2 GLY 13 HA2 GLY 13 -7.583 24.103 12.055 122 HA3 GLY 13 HA3 GLY 13 -9.173 24.709 11.587 123 H GLY 14 H GLY 14 -7.088 25.448 9.020 124 HA2 GLY 14 HA2 GLY 14 -8.005 23.230 7.338 125 HA3 GLY 14 HA3 GLY 14 -6.892 24.527 6.892 126 H ARG 15 H ARG 15 -6.505 21.795 6.179 127 HA ARG 15 HA ARG 15 -3.990 21.157 7.670 128 HB2 ARG 15 HB2 ARG 15 -6.147 19.239 6.718 129 HB3 ARG 15 HB3 ARG 15 -4.470 18.726 7.026 130 HG2 ARG 15 HG2 ARG 15 -4.581 19.661 9.308 131 HG3 ARG 15 HG3 ARG 15 -6.289 20.073 9.062 132 HD2 ARG 15 HD2 ARG 15 -6.889 17.750 8.871 133 HD3 ARG 15 HD3 ARG 15 -5.189 17.247 8.787 134 HE ARG 15 HE ARG 15 -5.198 18.535 11.156 135 HH11 ARG 15 HH11 ARG 15 -7.250 15.911 10.030 136 HH12 ARG 15 HH12 ARG 15 -7.500 15.304 11.643 137 HH21 ARG 15 HH21 ARG 15 -5.596 17.776 13.138 138 HH22 ARG 15 HH22 ARG 15 -6.589 16.357 13.380 139 H VAL 16 H VAL 16 -2.290 20.301 6.637 140 HA VAL 16 HA VAL 16 -2.169 20.503 3.669 141 HB VAL 16 HB VAL 16 -0.290 21.997 5.530 142 HG11 VAL 16 HG11 VAL 16 -0.344 21.857 2.497 143 HG12 VAL 16 HG12 VAL 16 0.646 22.979 3.451 144 HG13 VAL 16 HG13 VAL 16 0.941 21.247 3.577 145 HG21 VAL 16 HG21 VAL 16 -2.396 23.214 5.383 146 HG22 VAL 16 HG22 VAL 16 -1.162 24.056 4.433 147 HG23 VAL 16 HG23 VAL 16 -2.393 23.071 3.615 148 H GLU 17 H GLU 17 -0.663 19.205 2.725 149 HA GLU 17 HA GLU 17 1.162 17.587 4.410 150 HB2 GLU 17 HB2 GLU 17 -0.640 16.529 2.207 151 HB3 GLU 17 HB3 GLU 17 0.732 15.646 2.886 152 HG2 GLU 17 HG2 GLU 17 -0.308 15.648 5.094 153 HG3 GLU 17 HG3 GLU 17 -1.668 16.612 4.497 154 H ILE 18 H ILE 18 3.156 17.150 3.530 155 HA ILE 18 HA ILE 18 3.811 18.215 0.806 156 HB ILE 18 HB ILE 18 5.354 18.710 3.369 157 HG12 ILE 18 HG12 ILE 18 4.257 20.870 1.529 158 HG13 ILE 18 HG13 ILE 18 3.273 20.203 2.831 159 HG21 ILE 18 HG21 ILE 18 6.913 20.038 1.911 160 HG22 ILE 18 HG22 ILE 18 6.937 18.324 1.533 161 HG23 ILE 18 HG23 ILE 18 6.034 19.446 0.493 162 HD11 ILE 18 HD11 ILE 18 5.955 21.537 3.264 163 HD12 ILE 18 HD12 ILE 18 4.353 22.212 3.579 164 HD13 ILE 18 HD13 ILE 18 4.923 20.817 4.521 165 H GLY 19 H GLY 19 4.459 16.504 -0.342 166 HA2 GLY 19 HA2 GLY 19 5.803 14.178 0.896 167 HA3 GLY 19 HA3 GLY 19 5.243 14.313 -0.764 168 H ASP 20 H ASP 20 7.702 13.247 -0.070 169 HA ASP 20 HA ASP 20 9.921 13.259 -0.515 170 HB2 ASP 20 HB2 ASP 20 9.061 14.995 -2.841 171 HB3 ASP 20 HB3 ASP 20 10.529 14.009 -2.731 172 H VAL 21 H VAL 21 9.551 14.912 1.543 173 HA VAL 21 HA VAL 21 10.856 17.494 1.146 174 HB VAL 21 HB VAL 21 9.160 17.320 2.798 175 HG11 VAL 21 HG11 VAL 21 10.867 15.228 4.185 176 HG12 VAL 21 HG12 VAL 21 9.559 16.110 4.989 177 HG13 VAL 21 HG13 VAL 21 9.191 15.090 3.602 178 HG21 VAL 21 HG21 VAL 21 11.765 17.675 4.306 179 HG22 VAL 21 HG22 VAL 21 11.085 18.878 3.175 180 HG23 VAL 21 HG23 VAL 21 10.166 18.412 4.604 181 H LEU 22 H LEU 22 12.953 18.070 1.459 182 HA LEU 22 HA LEU 22 14.967 15.907 1.943 183 HB2 LEU 22 HB2 LEU 22 15.226 18.751 0.899 184 HB3 LEU 22 HB3 LEU 22 16.573 17.646 1.160 185 HG LEU 22 HG LEU 22 14.304 17.242 -0.831 186 HD11 LEU 22 HD11 LEU 22 15.838 19.045 -1.463 187 HD12 LEU 22 HD12 LEU 22 17.237 17.977 -1.200 188 HD13 LEU 22 HD13 LEU 22 16.102 17.632 -2.505 189 HD21 LEU 22 HD21 LEU 22 15.125 15.063 -0.096 190 HD22 LEU 22 HD22 LEU 22 15.734 15.390 -1.712 191 HD23 LEU 22 HD23 LEU 22 16.804 15.584 -0.318 192 H GLU 23 H GLU 23 13.798 18.987 3.296 193 HA GLU 23 HA GLU 23 15.155 18.408 5.840 194 HB2 GLU 23 HB2 GLU 23 16.887 19.463 4.494 195 HB3 GLU 23 HB3 GLU 23 15.830 20.847 4.156 196 HG2 GLU 23 HG2 GLU 23 15.876 21.551 6.470 197 HG3 GLU 23 HG3 GLU 23 16.684 20.061 6.957 198 H VAL 24 H VAL 24 14.256 19.355 7.592 199 HA VAL 24 HA VAL 24 12.166 21.456 7.270 200 HB VAL 24 HB VAL 24 11.858 19.166 9.209 201 HG11 VAL 24 HG11 VAL 24 10.643 21.225 9.812 202 HG12 VAL 24 HG12 VAL 24 9.888 21.252 8.213 203 HG13 VAL 24 HG13 VAL 24 9.524 19.944 9.359 204 HG21 VAL 24 HG21 VAL 24 11.663 18.080 7.079 205 HG22 VAL 24 HG22 VAL 24 10.050 18.275 7.779 206 HG23 VAL 24 HG23 VAL 24 10.593 19.365 6.492 207 H ARG 25 H ARG 25 12.225 23.029 8.864 208 HA ARG 25 HA ARG 25 13.939 22.651 11.292 209 HB2 ARG 25 HB2 ARG 25 13.968 25.119 9.499 210 HB3 ARG 25 HB3 ARG 25 14.774 24.956 11.062 211 HG2 ARG 25 HG2 ARG 25 16.153 23.071 10.094 212 HG3 ARG 25 HG3 ARG 25 15.416 23.422 8.506 213 HD2 ARG 25 HD2 ARG 25 16.246 25.780 8.704 214 HD3 ARG 25 HD3 ARG 25 17.071 25.335 10.221 215 HE ARG 25 HE ARG 25 17.815 23.547 8.063 216 HH11 ARG 25 HH11 ARG 25 18.563 26.802 9.174 217 HH12 ARG 25 HH12 ARG 25 20.079 26.809 8.297 218 HH21 ARG 25 HH21 ARG 25 19.612 23.613 7.061 219 HH22 ARG 25 HH22 ARG 25 20.705 24.999 7.130 220 H ALA 26 H ALA 26 13.275 23.687 13.108 221 HA ALA 26 HA ALA 26 10.675 25.171 13.024 222 HB1 ALA 26 HB1 ALA 26 11.675 23.220 15.134 223 HB2 ALA 26 HB2 ALA 26 10.174 24.179 15.202 224 HB3 ALA 26 HB3 ALA 26 10.386 22.926 13.949 225 H GLU 27 H GLU 27 10.700 27.148 13.805 226 HA GLU 27 HA GLU 27 12.631 27.949 15.916 227 HB2 GLU 27 HB2 GLU 27 13.192 28.676 13.510 228 HB3 GLU 27 HB3 GLU 27 11.795 29.723 13.587 229 HG2 GLU 27 HG2 GLU 27 14.093 29.760 15.600 230 HG3 GLU 27 HG3 GLU 27 14.142 30.673 14.104 231 H GLY 28 H GLY 28 11.754 29.733 17.299 232 HA2 GLY 28 HA2 GLY 28 9.219 29.120 18.277 233 HA3 GLY 28 HA3 GLY 28 10.088 30.614 18.626 234 H GLY 29 H GLY 29 9.958 31.479 15.718 235 HA2 GLY 29 HA2 GLY 29 7.278 32.678 15.689 236 HA3 GLY 29 HA3 GLY 29 8.590 32.909 14.532 237 H ALA 30 H ALA 30 8.951 30.085 13.802 238 HA ALA 30 HA ALA 30 6.473 29.160 12.596 239 HB1 ALA 30 HB1 ALA 30 7.090 29.732 10.265 240 HB2 ALA 30 HB2 ALA 30 6.956 31.208 11.226 241 HB3 ALA 30 HB3 ALA 30 8.557 30.553 10.832 242 H VAL 31 H VAL 31 6.669 27.288 11.372 243 HA VAL 31 HA VAL 31 9.278 25.824 11.345 244 HB VAL 31 HB VAL 31 6.449 24.932 10.772 245 HG11 VAL 31 HG11 VAL 31 7.470 22.625 10.420 246 HG12 VAL 31 HG12 VAL 31 7.729 23.758 9.093 247 HG13 VAL 31 HG13 VAL 31 9.039 23.408 10.242 248 HG21 VAL 31 HG21 VAL 31 8.572 23.870 12.684 249 HG22 VAL 31 HG22 VAL 31 7.331 25.049 13.131 250 HG23 VAL 31 HG23 VAL 31 6.849 23.421 12.632 251 H ARG 32 H ARG 32 10.254 25.214 9.462 252 HA ARG 32 HA ARG 32 9.317 26.311 6.844 253 HB2 ARG 32 HB2 ARG 32 12.076 26.654 8.093 254 HB3 ARG 32 HB3 ARG 32 11.719 26.944 6.387 255 HG2 ARG 32 HG2 ARG 32 10.178 28.737 6.929 256 HG3 ARG 32 HG3 ARG 32 10.349 28.431 8.672 257 HD2 ARG 32 HD2 ARG 32 12.686 29.057 8.612 258 HD3 ARG 32 HD3 ARG 32 12.652 29.210 6.843 259 HE ARG 32 HE ARG 32 10.673 30.913 8.089 260 HH11 ARG 32 HH11 ARG 32 14.116 30.830 7.438 261 HH12 ARG 32 HH12 ARG 32 14.255 32.567 7.434 262 HH21 ARG 32 HH21 ARG 32 10.926 33.134 8.081 263 HH22 ARG 32 HH22 ARG 32 12.500 33.824 7.817 264 H VAL 33 H VAL 33 9.787 25.038 5.071 265 HA VAL 33 HA VAL 33 11.421 22.605 5.399 266 HB VAL 33 HB VAL 33 9.813 21.252 5.921 267 HG11 VAL 33 HG11 VAL 33 7.425 21.737 6.162 268 HG12 VAL 33 HG12 VAL 33 8.457 22.880 6.999 269 HG13 VAL 33 HG13 VAL 33 7.680 23.351 5.460 270 HG21 VAL 33 HG21 VAL 33 8.131 20.458 4.385 271 HG22 VAL 33 HG22 VAL 33 8.372 21.878 3.345 272 HG23 VAL 33 HG23 VAL 33 9.670 20.671 3.571 273 H THR 34 H THR 34 12.112 21.581 3.559 274 HA THR 34 HA THR 34 11.538 22.955 0.939 275 HB THR 34 HB THR 34 14.316 22.236 1.943 276 HG1 THR 34 HG1 THR 34 13.510 24.052 2.991 277 HG21 THR 34 HG21 THR 34 14.224 22.106 -0.487 278 HG22 THR 34 HG22 THR 34 13.334 23.653 -0.577 279 HG23 THR 34 HG23 THR 34 15.029 23.612 -0.045 280 H THR 35 H THR 35 11.273 21.700 -0.761 281 HA THR 35 HA THR 35 11.589 18.741 -0.476 282 HB THR 35 HB THR 35 9.978 18.535 -2.253 283 HG1 THR 35 HG1 THR 35 9.785 21.356 -2.250 284 HG21 THR 35 HG21 THR 35 8.939 20.559 -0.224 285 HG22 THR 35 HG22 THR 35 7.974 19.466 -1.233 286 HG23 THR 35 HG23 THR 35 9.050 18.801 0.001 287 H LEU 36 H LEU 36 12.093 17.487 -2.480 288 HA LEU 36 HA LEU 36 14.397 18.544 -3.889 289 HB2 LEU 36 HB2 LEU 36 14.309 16.475 -5.225 290 HB3 LEU 36 HB3 LEU 36 14.445 16.254 -3.487 291 HG LEU 36 HG LEU 36 12.262 15.405 -3.270 292 HD11 LEU 36 HD11 LEU 36 10.730 15.058 -5.234 293 HD12 LEU 36 HD12 LEU 36 10.890 16.740 -4.762 294 HD13 LEU 36 HD13 LEU 36 11.763 16.138 -6.194 295 HD21 LEU 36 HD21 LEU 36 13.485 14.291 -5.830 296 HD22 LEU 36 HD22 LEU 36 14.021 13.906 -4.191 297 HD23 LEU 36 HD23 LEU 36 12.399 13.426 -4.726 298 H PHE 37 H PHE 37 11.132 19.175 -4.445 299 HA PHE 37 HA PHE 37 11.363 19.664 -7.321 300 HB2 PHE 37 HB2 PHE 37 9.266 20.667 -5.371 301 HB3 PHE 37 HB3 PHE 37 9.129 20.578 -7.124 302 HD1 PHE 37 HD1 PHE 37 9.504 18.112 -8.141 303 HD2 PHE 37 HD2 PHE 37 8.239 18.967 -4.106 304 HE1 PHE 37 HE1 PHE 37 8.510 15.831 -7.954 305 HE2 PHE 37 HE2 PHE 37 7.273 16.700 -3.925 306 HZ PHE 37 HZ PHE 37 7.387 15.125 -5.858 307 H ASP 38 H ASP 38 12.875 21.095 -4.857 308 HA ASP 38 HA ASP 38 13.629 22.995 -4.113 309 HB2 ASP 38 HB2 ASP 38 14.508 24.670 -5.535 310 HB3 ASP 38 HB3 ASP 38 14.811 23.087 -6.217 311 H GLU 39 H GLU 39 10.593 22.624 -4.447 312 HA GLU 39 HA GLU 39 9.561 25.317 -4.011 313 HB2 GLU 39 HB2 GLU 39 8.183 23.520 -4.995 314 HB3 GLU 39 HB3 GLU 39 8.273 22.618 -3.473 315 HG2 GLU 39 HG2 GLU 39 7.122 24.449 -2.295 316 HG3 GLU 39 HG3 GLU 39 7.144 25.434 -3.769 317 H GLU 40 H GLU 40 9.496 26.409 -2.180 318 HA GLU 40 HA GLU 40 10.299 25.140 0.403 319 HB2 GLU 40 HB2 GLU 40 10.286 28.035 -0.513 320 HB3 GLU 40 HB3 GLU 40 10.666 27.500 1.131 321 HG2 GLU 40 HG2 GLU 40 12.579 26.210 0.341 322 HG3 GLU 40 HG3 GLU 40 12.222 26.618 -1.332 323 H HIS 41 H HIS 41 9.112 25.436 2.217 324 HA HIS 41 HA HIS 41 6.375 26.639 2.064 325 HB2 HIS 41 HB2 HIS 41 7.128 23.959 3.279 326 HB3 HIS 41 HB3 HIS 41 5.545 24.723 3.356 327 HD2 HIS 41 HD2 HIS 41 7.769 22.644 1.049 328 HE1 HIS 41 HE1 HIS 41 4.115 23.246 -1.067 329 HE2 HIS 41 HE2 HIS 41 6.315 22.007 -1.081 330 H ALA 42 H ALA 42 5.658 27.595 3.981 331 HA ALA 42 HA ALA 42 7.270 27.399 6.421 332 HB1 ALA 42 HB1 ALA 42 8.402 29.210 5.190 333 HB2 ALA 42 HB2 ALA 42 6.855 30.063 4.992 334 HB3 ALA 42 HB3 ALA 42 7.562 29.853 6.612 335 H PHE 43 H PHE 43 6.147 27.766 8.265 336 HA PHE 43 HA PHE 43 3.251 28.536 8.115 337 HB2 PHE 43 HB2 PHE 43 4.345 26.000 9.352 338 HB3 PHE 43 HB3 PHE 43 2.662 26.526 9.324 339 HD1 PHE 43 HD1 PHE 43 5.164 24.587 7.666 340 HD2 PHE 43 HD2 PHE 43 1.566 26.869 6.961 341 HE1 PHE 43 HE1 PHE 43 4.840 23.404 5.523 342 HE2 PHE 43 HE2 PHE 43 1.252 25.683 4.798 343 HZ PHE 43 HZ PHE 43 2.890 23.948 4.076 344 HA PRO 44 HA PRO 44 4.913 30.644 11.800 345 HB2 PRO 44 HB2 PRO 44 2.278 32.042 11.459 346 HB3 PRO 44 HB3 PRO 44 3.874 32.731 11.899 347 HG2 PRO 44 HG2 PRO 44 2.962 32.976 9.363 348 HG3 PRO 44 HG3 PRO 44 4.672 32.491 9.655 349 HD2 PRO 44 HD2 PRO 44 2.281 30.711 9.036 350 HD3 PRO 44 HD3 PRO 44 3.903 30.725 8.266 351 H GLY 45 H GLY 45 4.475 30.504 13.967 352 HA2 GLY 45 HA2 GLY 45 3.442 29.982 15.954 353 HA3 GLY 45 HA3 GLY 45 1.915 29.719 15.107 354 H LEU 46 H LEU 46 4.268 27.728 13.708 355 HA LEU 46 HA LEU 46 3.402 25.379 15.326 356 HB2 LEU 46 HB2 LEU 46 4.586 25.513 12.532 357 HB3 LEU 46 HB3 LEU 46 4.131 24.035 13.371 358 HG LEU 46 HG LEU 46 2.236 26.231 12.464 359 HD11 LEU 46 HD11 LEU 46 2.430 23.307 11.632 360 HD12 LEU 46 HD12 LEU 46 1.426 24.582 10.905 361 HD13 LEU 46 HD13 LEU 46 3.188 24.626 10.741 362 HD21 LEU 46 HD21 LEU 46 0.423 24.661 13.128 363 HD22 LEU 46 HD22 LEU 46 1.621 23.568 13.847 364 HD23 LEU 46 HD23 LEU 46 1.327 25.193 14.538 365 H ALA 47 H ALA 47 4.826 23.673 15.669 366 HA ALA 47 HA ALA 47 7.719 23.985 15.316 367 HB1 ALA 47 HB1 ALA 47 8.189 23.174 17.617 368 HB2 ALA 47 HB2 ALA 47 7.381 24.751 17.636 369 HB3 ALA 47 HB3 ALA 47 6.458 23.271 18.007 370 H ILE 48 H ILE 48 8.804 21.775 15.429 371 HA ILE 48 HA ILE 48 7.096 19.730 14.196 372 HB ILE 48 HB ILE 48 9.981 19.572 15.103 373 HG12 ILE 48 HG12 ILE 48 9.137 19.636 12.192 374 HG13 ILE 48 HG13 ILE 48 9.223 21.151 13.055 375 HG21 ILE 48 HG21 ILE 48 8.290 17.677 13.416 376 HG22 ILE 48 HG22 ILE 48 10.043 17.547 13.608 377 HG23 ILE 48 HG23 ILE 48 8.994 17.328 15.010 378 HD11 ILE 48 HD11 ILE 48 11.586 20.663 13.720 379 HD12 ILE 48 HD12 ILE 48 11.517 19.188 12.730 380 HD13 ILE 48 HD13 ILE 48 11.343 20.774 11.965 381 H GLY 49 H GLY 49 5.921 18.267 15.217 382 HA2 GLY 49 HA2 GLY 49 6.012 18.095 18.189 383 HA3 GLY 49 HA3 GLY 49 4.684 17.670 17.118 384 H ARG 50 H ARG 50 6.201 15.984 15.309 385 HA ARG 50 HA ARG 50 7.221 13.725 16.929 386 HB2 ARG 50 HB2 ARG 50 4.791 13.590 17.209 387 HB3 ARG 50 HB3 ARG 50 4.555 13.742 15.472 388 HG2 ARG 50 HG2 ARG 50 5.565 11.494 15.118 389 HG3 ARG 50 HG3 ARG 50 5.820 11.350 16.867 390 HD2 ARG 50 HD2 ARG 50 3.342 11.718 17.182 391 HD3 ARG 50 HD3 ARG 50 3.156 11.723 15.426 392 HE ARG 50 HE ARG 50 4.269 9.379 16.960 393 HH11 ARG 50 HH11 ARG 50 1.992 10.416 14.485 394 HH12 ARG 50 HH12 ARG 50 1.467 8.775 14.213 395 HH21 ARG 50 HH21 ARG 50 3.598 7.485 16.602 396 HH22 ARG 50 HH22 ARG 50 2.455 7.098 15.319 397 H VAL 51 H VAL 51 8.331 12.191 15.763 398 HA VAL 51 HA VAL 51 7.917 12.135 12.834 399 HB VAL 51 HB VAL 51 10.697 11.721 13.948 400 HG11 VAL 51 HG11 VAL 51 10.173 10.535 11.854 401 HG12 VAL 51 HG12 VAL 51 9.630 12.042 11.116 402 HG13 VAL 51 HG13 VAL 51 11.337 11.830 11.570 403 HG21 VAL 51 HG21 VAL 51 10.273 14.104 14.235 404 HG22 VAL 51 HG22 VAL 51 11.309 13.859 12.827 405 HG23 VAL 51 HG23 VAL 51 9.582 14.214 12.600 406 H ASP 52 H ASP 52 7.319 10.174 12.217 407 HA ASP 52 HA ASP 52 8.004 7.792 13.906 408 HB2 ASP 52 HB2 ASP 52 5.604 8.409 14.045 409 HB3 ASP 52 HB3 ASP 52 5.469 8.247 12.295 410 H LEU 53 H LEU 53 9.485 6.639 12.930 411 HA LEU 53 HA LEU 53 10.079 7.020 10.082 412 HB2 LEU 53 HB2 LEU 53 11.491 5.427 12.269 413 HB3 LEU 53 HB3 LEU 53 12.068 5.641 10.630 414 HG LEU 53 HG LEU 53 13.304 7.075 11.965 415 HD11 LEU 53 HD11 LEU 53 11.241 8.819 10.583 416 HD12 LEU 53 HD12 LEU 53 12.868 9.307 11.041 417 HD13 LEU 53 HD13 LEU 53 12.647 8.044 9.812 418 HD21 LEU 53 HD21 LEU 53 11.776 7.272 13.921 419 HD22 LEU 53 HD22 LEU 53 12.561 8.787 13.448 420 HD23 LEU 53 HD23 LEU 53 10.856 8.513 13.050 421 H ARG 54 H ARG 54 8.203 4.776 11.853 422 HA ARG 54 HA ARG 54 8.541 2.435 10.118 423 HB2 ARG 54 HB2 ARG 54 6.245 3.219 11.937 424 HB3 ARG 54 HB3 ARG 54 6.512 1.630 11.253 425 HG2 ARG 54 HG2 ARG 54 8.450 1.226 12.576 426 HG3 ARG 54 HG3 ARG 54 8.601 2.913 13.088 427 HD2 ARG 54 HD2 ARG 54 6.277 1.110 13.848 428 HD3 ARG 54 HD3 ARG 54 7.694 1.424 14.849 429 HE ARG 54 HE ARG 54 6.263 3.829 13.900 430 HH11 ARG 54 HH11 ARG 54 6.155 2.981 17.777 431 HH12 ARG 54 HH12 ARG 54 6.863 1.792 16.711 432 HH21 ARG 54 HH21 ARG 54 5.152 5.069 15.238 433 HH22 ARG 54 HH22 ARG 54 5.375 4.881 16.989 434 H SER 55 H SER 55 6.408 5.245 10.195 435 HA SER 55 HA SER 55 5.099 4.457 7.628 436 HB2 SER 55 HB2 SER 55 3.429 6.157 8.233 437 HB3 SER 55 HB3 SER 55 3.612 4.918 9.494 438 HG SER 55 HG SER 55 3.564 7.035 10.383 439 H GLY 56 H GLY 56 7.557 6.572 8.800 440 HA2 GLY 56 HA2 GLY 56 8.893 8.075 7.708 441 HA3 GLY 56 HA3 GLY 56 8.037 7.773 6.192 442 H VAL 57 H VAL 57 6.528 8.878 9.234 443 HA VAL 57 HA VAL 57 5.589 11.344 7.816 444 HB VAL 57 HB VAL 57 4.350 9.780 10.092 445 HG11 VAL 57 HG11 VAL 57 3.415 12.371 8.772 446 HG12 VAL 57 HG12 VAL 57 2.421 11.352 9.842 447 HG13 VAL 57 HG13 VAL 57 3.855 12.150 10.482 448 HG21 VAL 57 HG21 VAL 57 3.391 10.337 7.240 449 HG22 VAL 57 HG22 VAL 57 4.047 8.796 7.819 450 HG23 VAL 57 HG23 VAL 57 2.529 9.396 8.475 451 H ILE 58 H ILE 58 6.267 13.227 8.385 452 HA ILE 58 HA ILE 58 7.255 13.833 11.152 453 HB ILE 58 HB ILE 58 7.429 15.357 8.523 454 HG12 ILE 58 HG12 ILE 58 9.682 14.265 10.269 455 HG13 ILE 58 HG13 ILE 58 9.055 13.441 8.852 456 HG21 ILE 58 HG21 ILE 58 8.660 17.121 9.723 457 HG22 ILE 58 HG22 ILE 58 7.049 16.958 10.388 458 HG23 ILE 58 HG23 ILE 58 8.437 16.263 11.261 459 HD11 ILE 58 HD11 ILE 58 11.040 14.579 8.221 460 HD12 ILE 58 HD12 ILE 58 9.678 15.413 7.446 461 HD13 ILE 58 HD13 ILE 58 10.486 16.118 8.876 462 H SER 59 H SER 59 5.907 15.027 12.471 463 HA SER 59 HA SER 59 3.423 16.215 11.277 464 HB2 SER 59 HB2 SER 59 2.973 14.049 12.418 465 HB3 SER 59 HB3 SER 59 3.637 14.740 13.902 466 HG SER 59 HG SER 59 1.288 15.499 12.496 467 H LEU 60 H LEU 60 2.945 18.241 11.842 468 HA LEU 60 HA LEU 60 4.679 19.619 13.836 469 HB2 LEU 60 HB2 LEU 60 2.821 20.927 11.859 470 HB3 LEU 60 HB3 LEU 60 4.108 21.666 12.798 471 HG LEU 60 HG LEU 60 4.432 19.758 10.438 472 HD11 LEU 60 HD11 LEU 60 5.205 22.677 10.877 473 HD12 LEU 60 HD12 LEU 60 5.505 21.727 9.390 474 HD13 LEU 60 HD13 LEU 60 3.860 22.128 9.887 475 HD21 LEU 60 HD21 LEU 60 6.589 21.003 12.199 476 HD22 LEU 60 HD22 LEU 60 6.231 19.272 12.019 477 HD23 LEU 60 HD23 LEU 60 6.867 20.174 10.654 478 H ILE 61 H ILE 61 3.840 21.053 15.359 479 HA ILE 61 HA ILE 61 0.967 20.908 16.097 480 HB ILE 61 HB ILE 61 1.575 20.609 18.477 481 HG12 ILE 61 HG12 ILE 61 3.802 19.319 18.871 482 HG13 ILE 61 HG13 ILE 61 4.393 20.126 17.430 483 HG21 ILE 61 HG21 ILE 61 2.424 18.285 16.716 484 HG22 ILE 61 HG22 ILE 61 1.802 18.204 18.384 485 HG23 ILE 61 HG23 ILE 61 0.753 18.751 17.067 486 HD11 ILE 61 HD11 ILE 61 3.320 21.489 19.938 487 HD12 ILE 61 HD12 ILE 61 5.035 21.226 19.552 488 HD13 ILE 61 HD13 ILE 61 4.076 22.314 18.546 489 H GLU 62 H GLU 62 0.330 22.618 17.624 490 HA GLU 62 HA GLU 62 1.472 25.190 16.896 491 HB2 GLU 62 HB2 GLU 62 -0.588 24.410 18.994 492 HB3 GLU 62 HB3 GLU 62 -0.114 26.077 18.604 493 HG2 GLU 62 HG2 GLU 62 -0.778 25.712 16.224 494 HG3 GLU 62 HG3 GLU 62 -1.369 24.101 16.657 495 H GLU 63 H GLU 63 2.996 26.396 17.871 496 HA GLU 63 HA GLU 63 4.799 25.032 19.592 497 HB2 GLU 63 HB2 GLU 63 6.249 26.897 19.298 498 HB3 GLU 63 HB3 GLU 63 5.419 26.575 17.801 499 HG2 GLU 63 HG2 GLU 63 5.323 28.857 17.835 500 HG3 GLU 63 HG3 GLU 63 3.746 28.454 18.498 501 H GLN 64 H GLN 64 2.173 27.083 20.496 502 HA GLN 64 HA GLN 64 2.801 26.451 23.285 503 HB2 GLN 64 HB2 GLN 64 2.408 28.600 24.192 504 HB3 GLN 64 HB3 GLN 64 3.633 28.781 22.945 505 HG2 GLN 64 HG2 GLN 64 1.831 29.622 21.379 506 HG3 GLN 64 HG3 GLN 64 0.678 29.533 22.721 507 HE21 GLN 64 HE21 GLN 64 3.585 31.188 21.521 508 HE22 GLN 64 HE22 GLN 64 3.428 32.573 22.614 509 H ASN 65 H ASN 65 0.970 26.223 24.592 510 HA ASN 65 HA ASN 65 -1.620 25.954 23.124 511 HB2 ASN 65 HB2 ASN 65 -0.543 23.975 25.158 512 HB3 ASN 65 HB3 ASN 65 -1.950 23.791 24.110 513 HD21 ASN 65 HD21 ASN 65 -0.745 24.599 21.592 514 HD22 ASN 65 HD22 ASN 65 0.530 23.454 21.222 515 H ARG 66 H ARG 66 -0.626 28.047 25.042 516 HA ARG 66 HA ARG 66 -2.047 27.863 27.543 517 HB2 ARG 66 HB2 ARG 66 -1.058 30.309 26.010 518 HB3 ARG 66 HB3 ARG 66 -1.647 30.324 27.670 519 HG2 ARG 66 HG2 ARG 66 0.175 28.659 28.255 520 HG3 ARG 66 HG3 ARG 66 0.849 28.889 26.630 521 HD2 ARG 66 HD2 ARG 66 0.433 31.054 28.734 522 HD3 ARG 66 HD3 ARG 66 1.974 30.276 28.365 523 HE ARG 66 HE ARG 66 1.271 31.248 25.920 524 HH11 ARG 66 HH11 ARG 66 1.480 32.903 29.002 525 HH12 ARG 66 HH12 ARG 66 1.788 34.439 28.228 526 HH21 ARG 66 HH21 ARG 66 1.672 33.129 25.048 527 HH22 ARG 66 HH22 ARG 66 1.883 34.580 26.013 528 H1 GLY -3 H1 GLY -3 9.407 -13.183 4.027 529 H2 GLY -3 H2 GLY -3 9.823 -14.006 5.382 530 H3 GLY -3 H3 GLY -3 10.872 -12.925 4.719 531 HA2 GLY -3 HA2 GLY -3 8.265 -12.262 5.917 532 HA3 GLY -3 HA3 GLY -3 9.846 -11.995 6.689 533 HA PRO -2 HA PRO -2 8.459 -8.376 3.880 534 HB2 PRO -2 HB2 PRO -2 7.664 -6.520 5.736 535 HB3 PRO -2 HB3 PRO -2 6.568 -7.757 5.048 536 HG2 PRO -2 HG2 PRO -2 8.084 -7.887 7.677 537 HG3 PRO -2 HG3 PRO -2 6.347 -8.222 7.385 538 HD2 PRO -2 HD2 PRO -2 8.171 -10.224 7.507 539 HD3 PRO -2 HD3 PRO -2 6.814 -10.282 6.344 540 H GLY -1 H GLY -1 9.748 -6.598 3.438 541 HA2 GLY -1 HA2 GLY -1 12.406 -6.492 4.635 542 HA3 GLY -1 HA3 GLY -1 11.796 -5.498 3.318 543 H SER 0 H SER 0 13.386 -4.793 5.757 544 HA SER 0 HA SER 0 11.674 -3.095 7.408 545 HB2 SER 0 HB2 SER 0 13.766 -2.431 8.478 546 HB3 SER 0 HB3 SER 0 13.633 -4.194 8.365 547 HG SER 0 HG SER 0 15.726 -3.427 7.785 548 H MET 1 H MET 1 11.874 -0.826 7.620 549 HA MET 1 HA MET 1 12.324 0.604 5.051 550 HB2 MET 1 HB2 MET 1 10.747 2.187 5.806 551 HB3 MET 1 HB3 MET 1 10.061 0.601 6.054 552 HG2 MET 1 HG2 MET 1 11.317 2.360 8.202 553 HG3 MET 1 HG3 MET 1 9.601 2.212 7.888 554 HE1 MET 1 HE1 MET 1 9.071 -0.932 7.517 555 HE2 MET 1 HE2 MET 1 8.686 -1.338 9.204 556 HE3 MET 1 HE3 MET 1 8.098 0.188 8.508 557 H CYS 2 H CYS 2 14.237 0.011 7.548 558 HA CYS 2 HA CYS 2 15.935 0.947 8.697 559 HB2 CYS 2 HB2 CYS 2 15.927 3.107 6.558 560 HB3 CYS 2 HB3 CYS 2 17.221 2.788 7.732 561 HG CYS 2 HG CYS 2 15.977 0.805 5.391 562 H MET 3 H MET 3 16.764 3.037 9.835 563 HA MET 3 HA MET 3 14.485 4.469 11.127 564 HB2 MET 3 HB2 MET 3 16.517 2.637 12.432 565 HB3 MET 3 HB3 MET 3 15.620 3.857 13.335 566 HG2 MET 3 HG2 MET 3 13.508 2.865 12.805 567 HG3 MET 3 HG3 MET 3 14.235 1.716 11.681 568 HE1 MET 3 HE1 MET 3 16.678 0.368 12.972 569 HE2 MET 3 HE2 MET 3 15.883 -0.974 13.819 570 HE3 MET 3 HE3 MET 3 15.297 -0.472 12.222 571 H ALA 4 H ALA 4 15.049 6.306 12.309 572 HA ALA 4 HA ALA 4 17.346 7.750 11.180 573 HB1 ALA 4 HB1 ALA 4 16.238 9.729 12.183 574 HB2 ALA 4 HB2 ALA 4 15.149 8.796 11.135 575 HB3 ALA 4 HB3 ALA 4 15.022 8.668 12.919 576 H LYS 5 H LYS 5 18.608 9.167 12.456 577 HA LYS 5 HA LYS 5 19.383 8.263 15.208 578 HB2 LYS 5 HB2 LYS 5 21.197 8.352 13.584 579 HB3 LYS 5 HB3 LYS 5 20.726 9.976 13.081 580 HG2 LYS 5 HG2 LYS 5 21.352 10.903 15.274 581 HG3 LYS 5 HG3 LYS 5 21.752 9.269 15.859 582 HD2 LYS 5 HD2 LYS 5 23.533 9.056 14.213 583 HD3 LYS 5 HD3 LYS 5 23.107 10.628 13.488 584 HE2 LYS 5 HE2 LYS 5 23.744 11.826 15.464 585 HE3 LYS 5 HE3 LYS 5 23.847 10.339 16.411 586 HZ1 LYS 5 HZ1 LYS 5 25.721 9.671 14.929 587 HZ2 LYS 5 HZ2 LYS 5 25.694 11.148 14.227 588 HZ3 LYS 5 HZ3 LYS 5 26.044 10.982 15.838 589 H VAL 6 H VAL 6 19.137 9.629 16.919 590 HA VAL 6 HA VAL 6 18.076 12.390 16.465 591 HB VAL 6 HB VAL 6 17.516 10.620 18.851 592 HG11 VAL 6 HG11 VAL 6 16.647 13.475 18.257 593 HG12 VAL 6 HG12 VAL 6 15.964 12.456 19.533 594 HG13 VAL 6 HG13 VAL 6 17.662 12.913 19.613 595 HG21 VAL 6 HG21 VAL 6 15.575 11.679 16.761 596 HG22 VAL 6 HG22 VAL 6 16.176 10.013 16.846 597 HG23 VAL 6 HG23 VAL 6 15.193 10.660 18.161 598 H VAL 7 H VAL 7 19.133 14.063 17.451 599 HA VAL 7 HA VAL 7 21.323 13.492 19.374 600 HB VAL 7 HB VAL 7 22.431 13.510 17.243 601 HG11 VAL 7 HG11 VAL 7 20.871 14.834 15.875 602 HG12 VAL 7 HG12 VAL 7 21.315 16.301 16.769 603 HG13 VAL 7 HG13 VAL 7 22.514 15.467 15.764 604 HG21 VAL 7 HG21 VAL 7 23.552 14.641 19.208 605 HG22 VAL 7 HG22 VAL 7 24.118 15.181 17.619 606 HG23 VAL 7 HG23 VAL 7 23.003 16.196 18.553 607 H LEU 8 H LEU 8 21.775 15.029 20.843 608 HA LEU 8 HA LEU 8 20.409 17.647 20.798 609 HB2 LEU 8 HB2 LEU 8 19.340 17.346 22.931 610 HB3 LEU 8 HB3 LEU 8 18.865 16.059 21.843 611 HG LEU 8 HG LEU 8 20.898 14.772 23.082 612 HD11 LEU 8 HD11 LEU 8 20.793 15.253 25.522 613 HD12 LEU 8 HD12 LEU 8 21.459 16.624 24.633 614 HD13 LEU 8 HD13 LEU 8 19.777 16.672 25.193 615 HD21 LEU 8 HD21 LEU 8 19.231 13.719 24.550 616 HD22 LEU 8 HD22 LEU 8 18.086 15.030 24.222 617 HD23 LEU 8 HD23 LEU 8 18.601 13.943 22.915 618 H THR 9 H THR 9 21.311 19.170 22.271 619 HA THR 9 HA THR 9 23.951 18.430 23.492 620 HB THR 9 HB THR 9 23.257 21.129 22.309 621 HG1 THR 9 HG1 THR 9 23.588 19.604 20.702 622 HG21 THR 9 HG21 THR 9 25.851 19.980 23.430 623 HG22 THR 9 HG22 THR 9 25.680 21.556 22.619 624 HG23 THR 9 HG23 THR 9 24.879 21.272 24.164 625 H LYS 10 H LYS 10 23.923 18.552 25.652 626 HA LYS 10 HA LYS 10 21.687 19.708 27.123 627 HB2 LYS 10 HB2 LYS 10 24.368 18.585 28.048 628 HB3 LYS 10 HB3 LYS 10 23.029 19.017 29.118 629 HG2 LYS 10 HG2 LYS 10 21.557 17.388 27.966 630 HG3 LYS 10 HG3 LYS 10 22.901 16.881 26.935 631 HD2 LYS 10 HD2 LYS 10 22.822 16.616 29.967 632 HD3 LYS 10 HD3 LYS 10 22.499 15.319 28.802 633 HE2 LYS 10 HE2 LYS 10 24.787 15.571 27.872 634 HE3 LYS 10 HE3 LYS 10 25.136 16.819 29.068 635 HZ1 LYS 10 HZ1 LYS 10 25.919 14.633 29.801 636 HZ2 LYS 10 HZ2 LYS 10 24.758 15.163 30.819 637 HZ3 LYS 10 HZ3 LYS 10 24.419 14.004 29.716 638 H ALA 11 H ALA 11 21.977 21.237 28.934 639 HA ALA 11 HA ALA 11 22.858 23.760 28.013 640 HB1 ALA 11 HB1 ALA 11 21.059 23.401 29.676 641 HB2 ALA 11 HB2 ALA 11 22.263 22.816 30.855 642 HB3 ALA 11 HB3 ALA 11 22.291 24.504 30.309 643 H ASP 12 H ASP 12 24.629 21.353 29.874 644 HA ASP 12 HA ASP 12 26.888 23.088 30.542 645 HB2 ASP 12 HB2 ASP 12 26.010 21.070 31.857 646 HB3 ASP 12 HB3 ASP 12 26.708 20.052 30.615 647 H GLY 13 H GLY 13 25.950 22.045 27.588 648 HA2 GLY 13 HA2 GLY 13 27.045 22.134 25.560 649 HA3 GLY 13 HA3 GLY 13 28.605 22.215 26.371 650 H GLY 14 H GLY 14 26.979 19.567 27.663 651 HA2 GLY 14 HA2 GLY 14 28.632 17.627 26.226 652 HA3 GLY 14 HA3 GLY 14 27.492 17.291 27.530 653 H ARG 15 H ARG 15 28.044 16.924 24.219 654 HA ARG 15 HA ARG 15 25.306 16.781 23.336 655 HB2 ARG 15 HB2 ARG 15 27.569 17.240 22.047 656 HB3 ARG 15 HB3 ARG 15 27.607 15.472 21.863 657 HG2 ARG 15 HG2 ARG 15 25.361 15.556 20.788 658 HG3 ARG 15 HG3 ARG 15 25.264 17.277 21.188 659 HD2 ARG 15 HD2 ARG 15 25.792 17.046 18.837 660 HD3 ARG 15 HD3 ARG 15 27.145 17.774 19.719 661 HE ARG 15 HE ARG 15 27.157 14.808 19.170 662 HH11 ARG 15 HH11 ARG 15 28.724 17.890 18.472 663 HH12 ARG 15 HH12 ARG 15 30.040 17.086 17.653 664 HH21 ARG 15 HH21 ARG 15 28.731 13.924 18.196 665 HH22 ARG 15 HH22 ARG 15 30.082 14.846 17.522 666 H VAL 16 H VAL 16 24.037 15.071 22.877 667 HA VAL 16 HA VAL 16 24.865 12.328 23.684 668 HB VAL 16 HB VAL 16 22.202 13.598 24.404 669 HG11 VAL 16 HG11 VAL 16 21.900 11.233 23.891 670 HG12 VAL 16 HG12 VAL 16 23.265 10.801 24.945 671 HG13 VAL 16 HG13 VAL 16 21.779 11.486 25.629 672 HG21 VAL 16 HG21 VAL 16 24.500 12.745 26.199 673 HG22 VAL 16 HG22 VAL 16 23.940 14.410 25.911 674 HG23 VAL 16 HG23 VAL 16 22.891 13.270 26.762 675 H GLU 17 H GLU 17 24.275 10.761 22.285 676 HA GLU 17 HA GLU 17 22.602 11.450 19.909 677 HB2 GLU 17 HB2 GLU 17 25.371 10.198 19.989 678 HB3 GLU 17 HB3 GLU 17 24.328 10.199 18.563 679 HG2 GLU 17 HG2 GLU 17 24.385 12.569 18.375 680 HG3 GLU 17 HG3 GLU 17 25.160 12.764 19.964 681 H ILE 18 H ILE 18 21.292 9.900 19.159 682 HA ILE 18 HA ILE 18 21.308 7.181 20.429 683 HB ILE 18 HB ILE 18 18.908 9.029 20.078 684 HG12 ILE 18 HG12 ILE 18 20.311 8.116 22.628 685 HG13 ILE 18 HG13 ILE 18 20.369 9.742 21.944 686 HG21 ILE 18 HG21 ILE 18 17.622 7.258 21.210 687 HG22 ILE 18 HG22 ILE 18 18.340 6.625 19.750 688 HG23 ILE 18 HG23 ILE 18 19.064 6.246 21.327 689 HD11 ILE 18 HD11 ILE 18 17.967 8.391 23.179 690 HD12 ILE 18 HD12 ILE 18 18.819 9.853 23.693 691 HD13 ILE 18 HD13 ILE 18 17.860 9.887 22.200 692 H GLY 19 H GLY 19 21.599 5.778 18.809 693 HA2 GLY 19 HA2 GLY 19 20.719 6.325 16.059 694 HA3 GLY 19 HA3 GLY 19 21.603 4.919 16.623 695 H ASP 20 H ASP 20 19.410 4.910 14.857 696 HA ASP 20 HA ASP 20 17.645 3.654 14.329 697 HB2 ASP 20 HB2 ASP 20 18.731 1.842 16.485 698 HB3 ASP 20 HB3 ASP 20 17.663 1.366 15.165 699 H VAL 21 H VAL 21 16.551 5.709 15.695 700 HA VAL 21 HA VAL 21 14.576 4.613 17.571 701 HB VAL 21 HB VAL 21 13.557 6.711 17.625 702 HG11 VAL 21 HG11 VAL 21 15.305 8.057 18.620 703 HG12 VAL 21 HG12 VAL 21 15.568 6.356 19.014 704 HG13 VAL 21 HG13 VAL 21 16.556 7.141 17.754 705 HG21 VAL 21 HG21 VAL 21 14.244 8.708 16.486 706 HG22 VAL 21 HG22 VAL 21 15.492 7.829 15.580 707 HG23 VAL 21 HG23 VAL 21 13.760 7.526 15.297 708 H LEU 22 H LEU 22 12.619 3.908 17.168 709 HA LEU 22 HA LEU 22 11.543 3.614 14.427 710 HB2 LEU 22 HB2 LEU 22 10.481 2.998 17.220 711 HB3 LEU 22 HB3 LEU 22 9.564 2.704 15.751 712 HG LEU 22 HG LEU 22 12.259 1.379 16.346 713 HD11 LEU 22 HD11 LEU 22 10.914 -0.612 16.914 714 HD12 LEU 22 HD12 LEU 22 10.549 0.723 18.005 715 HD13 LEU 22 HD13 LEU 22 9.411 0.329 16.692 716 HD21 LEU 22 HD21 LEU 22 10.062 0.679 14.347 717 HD22 LEU 22 HD22 LEU 22 11.594 1.447 13.921 718 HD23 LEU 22 HD23 LEU 22 11.581 -0.192 14.591 719 H GLU 23 H GLU 23 11.144 5.659 17.307 720 HA GLU 23 HA GLU 23 9.487 7.593 15.839 721 HB2 GLU 23 HB2 GLU 23 7.862 5.929 16.557 722 HB3 GLU 23 HB3 GLU 23 8.471 5.984 18.214 723 HG2 GLU 23 HG2 GLU 23 7.664 8.267 18.484 724 HG3 GLU 23 HG3 GLU 23 7.228 8.354 16.773 725 H VAL 24 H VAL 24 9.400 9.610 16.786 726 HA VAL 24 HA VAL 24 10.516 10.086 19.478 727 HB VAL 24 HB VAL 24 12.411 10.423 18.058 728 HG11 VAL 24 HG11 VAL 24 11.429 10.834 15.892 729 HG12 VAL 24 HG12 VAL 24 10.790 12.415 16.450 730 HG13 VAL 24 HG13 VAL 24 12.539 12.127 16.323 731 HG21 VAL 24 HG21 VAL 24 12.102 12.021 19.945 732 HG22 VAL 24 HG22 VAL 24 13.056 12.688 18.611 733 HG23 VAL 24 HG23 VAL 24 11.362 13.174 18.812 734 H ARG 25 H ARG 25 9.550 11.738 20.570 735 HA ARG 25 HA ARG 25 7.376 13.330 19.238 736 HB2 ARG 25 HB2 ARG 25 7.093 11.774 21.842 737 HB3 ARG 25 HB3 ARG 25 5.893 12.854 21.135 738 HG2 ARG 25 HG2 ARG 25 5.689 11.292 19.190 739 HG3 ARG 25 HG3 ARG 25 6.873 10.212 19.977 740 HD2 ARG 25 HD2 ARG 25 5.343 10.165 21.997 741 HD3 ARG 25 HD3 ARG 25 4.120 11.001 21.025 742 HE ARG 25 HE ARG 25 4.783 8.827 19.454 743 HH11 ARG 25 HH11 ARG 25 3.528 9.073 22.719 744 HH12 ARG 25 HH12 ARG 25 2.922 7.436 22.687 745 HH21 ARG 25 HH21 ARG 25 4.212 6.761 19.546 746 HH22 ARG 25 HH22 ARG 25 3.272 6.151 20.898 747 H ALA 26 H ALA 26 7.378 15.407 19.830 748 HA ALA 26 HA ALA 26 8.706 16.292 22.345 749 HB1 ALA 26 HB1 ALA 26 7.567 17.868 19.995 750 HB2 ALA 26 HB2 ALA 26 8.313 18.554 21.441 751 HB3 ALA 26 HB3 ALA 26 9.282 17.569 20.326 752 H GLU 27 H GLU 27 7.400 16.237 24.095 753 HA GLU 27 HA GLU 27 4.609 17.098 24.035 754 HB2 GLU 27 HB2 GLU 27 3.679 14.980 24.853 755 HB3 GLU 27 HB3 GLU 27 4.280 14.861 23.198 756 HG2 GLU 27 HG2 GLU 27 6.315 13.694 24.010 757 HG3 GLU 27 HG3 GLU 27 5.740 13.831 25.677 758 H GLY 28 H GLY 28 3.766 17.592 26.074 759 HA2 GLY 28 HA2 GLY 28 3.763 18.144 28.281 760 HA3 GLY 28 HA3 GLY 28 4.753 16.707 28.562 761 H GLY 29 H GLY 29 5.983 19.373 26.591 762 HA2 GLY 29 HA2 GLY 29 7.657 20.960 26.990 763 HA3 GLY 29 HA3 GLY 29 7.528 20.655 28.720 764 H ALA 30 H ALA 30 8.065 17.911 26.624 765 HA ALA 30 HA ALA 30 10.996 17.831 27.077 766 HB1 ALA 30 HB1 ALA 30 9.019 15.632 27.880 767 HB2 ALA 30 HB2 ALA 30 10.784 15.576 28.055 768 HB3 ALA 30 HB3 ALA 30 9.832 16.718 29.023 769 H VAL 31 H VAL 31 11.967 15.941 25.874 770 HA VAL 31 HA VAL 31 10.299 15.014 23.568 771 HB VAL 31 HB VAL 31 13.290 15.413 23.607 772 HG11 VAL 31 HG11 VAL 31 11.556 13.946 21.568 773 HG12 VAL 31 HG12 VAL 31 13.180 14.539 21.234 774 HG13 VAL 31 HG13 VAL 31 12.943 13.291 22.467 775 HG21 VAL 31 HG21 VAL 31 11.114 16.409 21.706 776 HG22 VAL 31 HG22 VAL 31 11.779 17.360 23.048 777 HG23 VAL 31 HG23 VAL 31 12.828 16.878 21.719 778 H ARG 32 H ARG 32 10.080 12.887 23.205 779 HA ARG 32 HA ARG 32 11.642 10.959 24.857 780 HB2 ARG 32 HB2 ARG 32 8.667 10.700 24.240 781 HB3 ARG 32 HB3 ARG 32 9.688 9.481 25.033 782 HG2 ARG 32 HG2 ARG 32 10.153 11.147 26.870 783 HG3 ARG 32 HG3 ARG 32 9.020 12.240 26.087 784 HD2 ARG 32 HD2 ARG 32 7.791 11.226 27.809 785 HD3 ARG 32 HD3 ARG 32 7.230 10.434 26.340 786 HE ARG 32 HE ARG 32 8.930 9.304 28.512 787 HH11 ARG 32 HH11 ARG 32 7.215 8.546 25.501 788 HH12 ARG 32 HH12 ARG 32 7.494 6.822 25.773 789 HH21 ARG 32 HH21 ARG 32 9.100 7.064 28.684 790 HH22 ARG 32 HH22 ARG 32 8.413 6.083 27.388 791 H VAL 33 H VAL 33 11.989 8.985 23.957 792 HA VAL 33 HA VAL 33 11.591 8.680 21.002 793 HB VAL 33 HB VAL 33 13.889 7.810 20.756 794 HG11 VAL 33 HG11 VAL 33 13.827 10.669 21.792 795 HG12 VAL 33 HG12 VAL 33 15.073 9.943 20.740 796 HG13 VAL 33 HG13 VAL 33 13.416 10.129 20.153 797 HG21 VAL 33 HG21 VAL 33 15.613 8.282 22.432 798 HG22 VAL 33 HG22 VAL 33 14.394 8.916 23.547 799 HG23 VAL 33 HG23 VAL 33 14.400 7.192 23.093 800 H THR 34 H THR 34 11.635 6.586 20.176 801 HA THR 34 HA THR 34 11.563 4.306 22.121 802 HB THR 34 HB THR 34 9.724 4.675 19.731 803 HG1 THR 34 HG1 THR 34 9.150 6.013 21.460 804 HG21 THR 34 HG21 THR 34 8.536 2.716 20.693 805 HG22 THR 34 HG22 THR 34 10.157 2.302 20.157 806 HG23 THR 34 HG23 THR 34 9.834 2.526 21.890 807 H THR 35 H THR 35 12.878 2.629 21.511 808 HA THR 35 HA THR 35 14.200 2.802 18.824 809 HB THR 35 HB THR 35 16.132 1.813 19.744 810 HG1 THR 35 HG1 THR 35 16.171 1.307 22.010 811 HG21 THR 35 HG21 THR 35 16.869 3.419 21.396 812 HG22 THR 35 HG22 THR 35 15.898 4.236 20.168 813 HG23 THR 35 HG23 THR 35 15.190 3.892 21.766 814 H LEU 36 H LEU 36 15.127 0.774 18.000 815 HA LEU 36 HA LEU 36 13.225 -1.215 17.441 816 HB2 LEU 36 HB2 LEU 36 14.920 -2.301 16.270 817 HB3 LEU 36 HB3 LEU 36 15.294 -0.594 16.152 818 HG LEU 36 HG LEU 36 16.693 -2.621 17.953 819 HD11 LEU 36 HD11 LEU 36 17.148 -2.879 15.541 820 HD12 LEU 36 HD12 LEU 36 17.649 -1.173 15.457 821 HD13 LEU 36 HD13 LEU 36 18.579 -2.337 16.430 822 HD21 LEU 36 HD21 LEU 36 16.891 -0.447 19.042 823 HD22 LEU 36 HD22 LEU 36 18.413 -0.779 18.231 824 HD23 LEU 36 HD23 LEU 36 17.249 0.345 17.493 825 H PHE 37 H PHE 37 15.150 -0.999 20.322 826 HA PHE 37 HA PHE 37 14.965 -3.857 21.012 827 HB2 PHE 37 HB2 PHE 37 15.869 -1.468 22.671 828 HB3 PHE 37 HB3 PHE 37 16.118 -3.167 23.064 829 HD1 PHE 37 HD1 PHE 37 17.890 -0.422 22.104 830 HD2 PHE 37 HD2 PHE 37 17.187 -4.464 20.755 831 HE1 PHE 37 HE1 PHE 37 20.081 -0.411 20.935 832 HE2 PHE 37 HE2 PHE 37 19.365 -4.427 19.556 833 HZ PHE 37 HZ PHE 37 20.809 -2.400 19.640 834 H ASP 38 H ASP 38 12.624 -1.571 20.896 835 HA ASP 38 HA ASP 38 10.733 -1.031 21.926 836 HB2 ASP 38 HB2 ASP 38 10.866 -3.566 23.568 837 HB3 ASP 38 HB3 ASP 38 9.470 -2.543 23.288 838 H GLU 39 H GLU 39 13.487 -0.458 23.165 839 HA GLU 39 HA GLU 39 12.809 0.300 25.925 840 HB2 GLU 39 HB2 GLU 39 15.207 0.910 24.157 841 HB3 GLU 39 HB3 GLU 39 14.985 1.550 25.790 842 HG2 GLU 39 HG2 GLU 39 14.886 -0.753 26.704 843 HG3 GLU 39 HG3 GLU 39 15.121 -1.401 25.088 844 H GLU 40 H GLU 40 12.719 2.428 26.646 845 HA GLU 40 HA GLU 40 12.254 4.581 24.656 846 HB2 GLU 40 HB2 GLU 40 10.437 4.002 27.021 847 HB3 GLU 40 HB3 GLU 40 10.424 5.499 26.073 848 HG2 GLU 40 HG2 GLU 40 9.825 4.246 24.049 849 HG3 GLU 40 HG3 GLU 40 9.888 2.726 24.930 850 H HIS 41 H HIS 41 12.806 6.599 25.280 851 HA HIS 41 HA HIS 41 14.156 7.050 27.901 852 HB2 HIS 41 HB2 HIS 41 15.496 7.620 25.231 853 HB3 HIS 41 HB3 HIS 41 16.116 8.054 26.806 854 HD2 HIS 41 HD2 HIS 41 15.829 5.094 24.403 855 HE1 HIS 41 HE1 HIS 41 17.879 3.614 27.835 856 HE2 HIS 41 HE2 HIS 41 17.145 3.058 25.464 857 H ALA 42 H ALA 42 14.445 9.308 28.431 858 HA ALA 42 HA ALA 42 12.647 11.177 26.977 859 HB1 ALA 42 HB1 ALA 42 11.285 9.951 28.652 860 HB2 ALA 42 HB2 ALA 42 12.400 10.473 29.933 861 HB3 ALA 42 HB3 ALA 42 11.441 11.672 29.060 862 H PHE 43 H PHE 43 13.039 13.312 27.190 863 HA PHE 43 HA PHE 43 15.412 14.257 28.742 864 HB2 PHE 43 HB2 PHE 43 14.917 14.602 25.772 865 HB3 PHE 43 HB3 PHE 43 16.248 15.304 26.696 866 HD1 PHE 43 HD1 PHE 43 14.994 12.314 24.990 867 HD2 PHE 43 HD2 PHE 43 18.000 13.788 27.730 868 HE1 PHE 43 HE1 PHE 43 16.246 10.191 24.766 869 HE2 PHE 43 HE2 PHE 43 19.250 11.666 27.482 870 HZ PHE 43 HZ PHE 43 18.376 9.852 26.024 871 HA PRO 44 HA PRO 44 11.966 17.222 29.373 872 HB2 PRO 44 HB2 PRO 44 13.723 17.894 31.707 873 HB3 PRO 44 HB3 PRO 44 11.940 17.751 31.638 874 HG2 PRO 44 HG2 PRO 44 13.393 15.734 32.682 875 HG3 PRO 44 HG3 PRO 44 12.057 15.363 31.546 876 HD2 PRO 44 HD2 PRO 44 15.031 15.544 30.954 877 HD3 PRO 44 HD3 PRO 44 13.872 14.273 30.478 878 H GLY 45 H GLY 45 11.747 19.409 29.033 879 HA2 GLY 45 HA2 GLY 45 12.288 21.620 28.684 880 HA3 GLY 45 HA3 GLY 45 13.987 21.283 29.032 881 H LEU 46 H LEU 46 12.917 19.119 26.660 882 HA LEU 46 HA LEU 46 14.054 20.795 24.482 883 HB2 LEU 46 HB2 LEU 46 13.850 17.775 24.670 884 HB3 LEU 46 HB3 LEU 46 14.589 18.687 23.358 885 HG LEU 46 HG LEU 46 15.607 18.465 26.212 886 HD11 LEU 46 HD11 LEU 46 15.964 16.540 24.662 887 HD12 LEU 46 HD12 LEU 46 16.827 17.613 23.548 888 HD13 LEU 46 HD13 LEU 46 17.477 17.317 25.182 889 HD21 LEU 46 HD21 LEU 46 17.602 19.743 25.399 890 HD22 LEU 46 HD22 LEU 46 16.746 20.084 23.887 891 HD23 LEU 46 HD23 LEU 46 16.136 20.728 25.432 892 H ALA 47 H ALA 47 13.329 20.565 22.377 893 HA ALA 47 HA ALA 47 10.813 19.185 21.750 894 HB1 ALA 47 HB1 ALA 47 10.097 21.485 22.215 895 HB2 ALA 47 HB2 ALA 47 11.303 22.115 21.073 896 HB3 ALA 47 HB3 ALA 47 9.955 21.121 20.479 897 H ILE 48 H ILE 48 10.627 18.928 19.308 898 HA ILE 48 HA ILE 48 13.244 18.240 18.161 899 HB ILE 48 HB ILE 48 10.481 18.113 16.927 900 HG12 ILE 48 HG12 ILE 48 12.075 15.696 17.849 901 HG13 ILE 48 HG13 ILE 48 11.069 16.562 18.997 902 HG21 ILE 48 HG21 ILE 48 12.200 18.218 15.174 903 HG22 ILE 48 HG22 ILE 48 13.167 16.983 16.005 904 HG23 ILE 48 HG23 ILE 48 11.605 16.563 15.282 905 HD11 ILE 48 HD11 ILE 48 9.783 14.731 18.082 906 HD12 ILE 48 HD12 ILE 48 9.098 16.264 17.511 907 HD13 ILE 48 HD13 ILE 48 10.100 15.264 16.424 908 H GLY 49 H GLY 49 14.494 19.522 16.946 909 HA2 GLY 49 HA2 GLY 49 13.511 22.277 16.346 910 HA3 GLY 49 HA3 GLY 49 15.169 21.769 16.658 911 H ARG 50 H ARG 50 15.251 19.550 14.795 912 HA ARG 50 HA ARG 50 14.697 20.617 12.107 913 HB2 ARG 50 HB2 ARG 50 16.643 21.922 12.584 914 HB3 ARG 50 HB3 ARG 50 17.485 20.554 13.298 915 HG2 ARG 50 HG2 ARG 50 17.770 19.507 11.118 916 HG3 ARG 50 HG3 ARG 50 16.803 20.777 10.340 917 HD2 ARG 50 HD2 ARG 50 18.439 22.471 10.924 918 HD3 ARG 50 HD3 ARG 50 19.349 21.317 11.923 919 HE ARG 50 HE ARG 50 19.199 20.215 9.318 920 HH11 ARG 50 HH11 ARG 50 20.714 23.046 10.734 921 HH12 ARG 50 HH12 ARG 50 22.083 22.955 9.658 922 HH21 ARG 50 HH21 ARG 50 21.006 20.036 8.159 923 HH22 ARG 50 HH22 ARG 50 22.221 21.300 8.162 924 H VAL 51 H VAL 51 14.905 19.155 10.475 925 HA VAL 51 HA VAL 51 15.806 16.378 11.090 926 HB VAL 51 HB VAL 51 13.171 16.971 9.700 927 HG11 VAL 51 HG11 VAL 51 14.504 14.365 10.530 928 HG12 VAL 51 HG12 VAL 51 12.862 14.515 9.888 929 HG13 VAL 51 HG13 VAL 51 14.234 14.940 8.877 930 HG21 VAL 51 HG21 VAL 51 13.662 15.899 12.511 931 HG22 VAL 51 HG22 VAL 51 12.858 17.409 12.067 932 HG23 VAL 51 HG23 VAL 51 12.098 15.884 11.663 933 H ASP 52 H ASP 52 17.247 15.783 9.613 934 HA ASP 52 HA ASP 52 17.174 16.970 6.850 935 HB2 ASP 52 HB2 ASP 52 19.509 15.858 8.449 936 HB3 ASP 52 HB3 ASP 52 19.562 16.268 6.734 937 H LEU 53 H LEU 53 15.993 15.581 5.611 938 HA LEU 53 HA LEU 53 16.044 12.699 6.069 939 HB2 LEU 53 HB2 LEU 53 14.808 14.342 3.811 940 HB3 LEU 53 HB3 LEU 53 14.573 12.629 4.080 941 HG LEU 53 HG LEU 53 12.634 13.613 4.839 942 HD11 LEU 53 HD11 LEU 53 13.494 11.892 6.373 943 HD12 LEU 53 HD12 LEU 53 14.275 13.154 7.360 944 HD13 LEU 53 HD13 LEU 53 12.513 13.089 7.228 945 HD21 LEU 53 HD21 LEU 53 12.363 15.453 6.349 946 HD22 LEU 53 HD22 LEU 53 14.106 15.585 6.619 947 HD23 LEU 53 HD23 LEU 53 13.427 15.957 5.027 948 H ARG 54 H ARG 54 17.945 14.853 4.174 949 HA ARG 54 HA ARG 54 19.061 12.968 2.271 950 HB2 ARG 54 HB2 ARG 54 20.182 15.523 3.517 951 HB3 ARG 54 HB3 ARG 54 20.942 14.625 2.189 952 HG2 ARG 54 HG2 ARG 54 18.886 14.976 0.804 953 HG3 ARG 54 HG3 ARG 54 18.172 15.916 2.126 954 HD2 ARG 54 HD2 ARG 54 19.062 17.464 0.523 955 HD3 ARG 54 HD3 ARG 54 20.070 17.530 1.975 956 HE ARG 54 HE ARG 54 21.095 15.662 -0.004 957 HH11 ARG 54 HH11 ARG 54 21.065 19.084 0.737 958 HH12 ARG 54 HH12 ARG 54 22.536 19.387 -0.148 959 HH21 ARG 54 HH21 ARG 54 22.997 16.109 -1.085 960 HH22 ARG 54 HH22 ARG 54 23.597 17.746 -1.156 961 H SER 55 H SER 55 19.581 13.389 5.678 962 HA SER 55 HA SER 55 21.888 11.464 5.626 963 HB2 SER 55 HB2 SER 55 21.393 13.727 7.598 964 HB3 SER 55 HB3 SER 55 22.737 12.580 7.636 965 HG SER 55 HG SER 55 22.182 14.575 5.674 966 H GLY 56 H GLY 56 18.710 12.037 6.942 967 HA2 GLY 56 HA2 GLY 56 17.357 10.653 8.183 968 HA3 GLY 56 HA3 GLY 56 18.649 9.454 8.304 969 H VAL 57 H VAL 57 18.919 12.866 9.310 970 HA VAL 57 HA VAL 57 19.289 11.952 12.142 971 HB VAL 57 HB VAL 57 20.803 14.230 10.852 972 HG11 VAL 57 HG11 VAL 57 21.116 12.795 13.539 973 HG12 VAL 57 HG12 VAL 57 22.225 14.025 12.903 974 HG13 VAL 57 HG13 VAL 57 20.561 14.471 13.299 975 HG21 VAL 57 HG21 VAL 57 21.719 11.392 11.470 976 HG22 VAL 57 HG22 VAL 57 21.613 12.135 9.864 977 HG23 VAL 57 HG23 VAL 57 22.793 12.735 11.025 978 H ILE 58 H ILE 58 18.291 12.939 13.682 979 HA ILE 58 HA ILE 58 16.475 15.263 13.181 980 HB ILE 58 HB ILE 58 16.273 12.802 14.939 981 HG12 ILE 58 HG12 ILE 58 14.426 13.758 12.722 982 HG13 ILE 58 HG13 ILE 58 15.711 12.574 12.501 983 HG21 ILE 58 HG21 ILE 58 14.420 15.208 14.904 984 HG22 ILE 58 HG22 ILE 58 14.089 13.660 15.710 985 HG23 ILE 58 HG23 ILE 58 15.415 14.637 16.275 986 HD11 ILE 58 HD11 ILE 58 14.589 11.112 14.228 987 HD12 ILE 58 HD12 ILE 58 13.201 12.237 14.142 988 HD13 ILE 58 HD13 ILE 58 13.703 11.352 12.707 989 H SER 59 H SER 59 17.111 17.085 14.210 990 HA SER 59 HA SER 59 18.941 16.931 16.565 991 HB2 SER 59 HB2 SER 59 18.300 19.310 14.815 992 HB3 SER 59 HB3 SER 59 19.548 19.219 16.074 993 HG SER 59 HG SER 59 20.697 17.763 14.825 994 H LEU 60 H LEU 60 18.281 17.533 18.525 995 HA LEU 60 HA LEU 60 15.597 18.778 18.884 996 HB2 LEU 60 HB2 LEU 60 17.399 17.648 21.013 997 HB3 LEU 60 HB3 LEU 60 15.687 18.056 21.145 998 HG LEU 60 HG LEU 60 16.908 15.721 19.607 999 HD11 LEU 60 HD11 LEU 60 16.747 15.442 22.047 1000 HD12 LEU 60 HD12 LEU 60 15.036 15.894 21.993 1001 HD13 LEU 60 HD13 LEU 60 15.601 14.391 21.211 1002 HD21 LEU 60 HD21 LEU 60 14.994 16.529 18.294 1003 HD22 LEU 60 HD22 LEU 60 14.529 15.050 19.145 1004 HD23 LEU 60 HD23 LEU 60 14.002 16.626 19.756 1005 H ILE 61 H ILE 61 15.277 20.525 20.270 1006 HA ILE 61 HA ILE 61 17.561 22.288 20.970 1007 HB ILE 61 HB ILE 61 16.300 24.271 20.146 1008 HG12 ILE 61 HG12 ILE 61 14.724 23.776 18.138 1009 HG13 ILE 61 HG13 ILE 61 14.443 22.222 18.903 1010 HG21 ILE 61 HG21 ILE 61 17.028 24.073 17.852 1011 HG22 ILE 61 HG22 ILE 61 18.196 23.271 18.916 1012 HG23 ILE 61 HG23 ILE 61 17.054 22.304 17.965 1013 HD11 ILE 61 HD11 ILE 61 12.707 23.915 19.383 1014 HD12 ILE 61 HD12 ILE 61 13.490 23.381 20.871 1015 HD13 ILE 61 HD13 ILE 61 13.910 24.962 20.153 1016 H GLU 62 H GLU 62 16.948 24.025 22.534 1017 HA GLU 62 HA GLU 62 15.288 22.946 24.661 1018 HB2 GLU 62 HB2 GLU 62 16.615 25.663 24.334 1019 HB3 GLU 62 HB3 GLU 62 15.744 25.132 25.777 1020 HG2 GLU 62 HG2 GLU 62 17.309 23.145 25.919 1021 HG3 GLU 62 HG3 GLU 62 18.259 23.856 24.620 1022 H GLU 63 H GLU 63 13.220 23.345 25.209 1023 HA GLU 63 HA GLU 63 11.541 24.041 23.028 1024 HB2 GLU 63 HB2 GLU 63 9.736 23.273 24.393 1025 HB3 GLU 63 HB3 GLU 63 11.123 22.240 24.572 1026 HG2 GLU 63 HG2 GLU 63 10.527 22.325 26.747 1027 HG3 GLU 63 HG3 GLU 63 11.638 23.683 26.743 1028 H GLN 64 H GLN 64 12.538 26.067 25.682 1029 HA GLN 64 HA GLN 64 11.110 28.325 24.438 1030 HB2 GLN 64 HB2 GLN 64 10.917 27.633 27.382 1031 HB3 GLN 64 HB3 GLN 64 10.678 29.271 26.770 1032 HG2 GLN 64 HG2 GLN 64 8.832 28.553 25.332 1033 HG3 GLN 64 HG3 GLN 64 9.035 26.879 25.846 1034 HE21 GLN 64 HE21 GLN 64 8.766 26.421 28.235 1035 HE22 GLN 64 HE22 GLN 64 7.571 27.413 29.104 1036 H ASN 65 H ASN 65 12.184 30.220 24.495 1037 HA ASN 65 HA ASN 65 14.961 30.303 25.577 1038 HB2 ASN 65 HB2 ASN 65 14.160 30.757 22.671 1039 HB3 ASN 65 HB3 ASN 65 15.779 30.937 23.333 1040 HD21 ASN 65 HD21 ASN 65 13.458 28.662 22.107 1041 HD22 ASN 65 HD22 ASN 65 14.401 27.212 22.435 1042 H ARG 66 H ARG 66 12.697 31.634 26.575 1043 HA ARG 66 HA ARG 66 12.300 34.313 25.616 1044 HB2 ARG 66 HB2 ARG 66 11.777 33.122 28.380 1045 HB3 ARG 66 HB3 ARG 66 11.146 34.658 27.777 1046 HG2 ARG 66 HG2 ARG 66 9.899 33.456 25.989 1047 HG3 ARG 66 HG3 ARG 66 10.517 31.910 26.610 1048 HD2 ARG 66 HD2 ARG 66 9.478 32.428 28.833 1049 HD3 ARG 66 HD3 ARG 66 8.729 33.858 28.123 1050 HE ARG 66 HE ARG 66 8.055 31.012 27.645 1051 HH11 ARG 66 HH11 ARG 66 7.315 34.296 26.650 1052 HH12 ARG 66 HH12 ARG 66 5.813 33.803 25.905 1053 HH21 ARG 66 HH21 ARG 66 6.268 30.469 26.698 1054 HH22 ARG 66 HH22 ARG 66 5.214 31.662 25.933 Start of MODEL 9 1 H1 GLY -3 H1 GLY -3 27.543 7.046 3.711 2 H2 GLY -3 H2 GLY -3 28.402 5.669 3.435 3 H3 GLY -3 H3 GLY -3 28.956 6.786 4.495 4 HA2 GLY -3 HA2 GLY -3 28.051 4.929 5.693 5 HA3 GLY -3 HA3 GLY -3 27.120 6.408 5.980 6 HA PRO -2 HA PRO -2 24.043 3.143 4.952 7 HB2 PRO -2 HB2 PRO -2 22.381 5.071 6.560 8 HB3 PRO -2 HB3 PRO -2 22.386 3.285 6.595 9 HG2 PRO -2 HG2 PRO -2 23.649 4.652 8.545 10 HG3 PRO -2 HG3 PRO -2 24.466 3.238 7.800 11 HD2 PRO -2 HD2 PRO -2 24.854 6.177 7.158 12 HD3 PRO -2 HD3 PRO -2 26.086 4.916 7.455 13 H GLY -1 H GLY -1 22.132 3.121 3.707 14 HA2 GLY -1 HA2 GLY -1 21.195 5.620 2.377 15 HA3 GLY -1 HA3 GLY -1 21.828 4.305 1.377 16 H SER 0 H SER 0 20.107 3.269 4.219 17 HA SER 0 HA SER 0 17.969 2.073 2.653 18 HB2 SER 0 HB2 SER 0 17.280 1.167 4.876 19 HB3 SER 0 HB3 SER 0 18.986 0.866 4.513 20 HG SER 0 HG SER 0 18.593 1.702 6.664 21 H MET 1 H MET 1 18.316 4.972 4.491 22 HA MET 1 HA MET 1 15.565 5.592 5.030 23 HB2 MET 1 HB2 MET 1 16.480 7.905 5.336 24 HB3 MET 1 HB3 MET 1 17.275 6.671 6.295 25 HG2 MET 1 HG2 MET 1 18.425 7.346 3.588 26 HG3 MET 1 HG3 MET 1 18.611 8.534 4.876 27 HE1 MET 1 HE1 MET 1 19.064 6.813 7.526 28 HE2 MET 1 HE2 MET 1 20.837 6.780 7.513 29 HE3 MET 1 HE3 MET 1 19.958 8.250 7.023 30 H CYS 2 H CYS 2 14.432 7.434 4.182 31 HA CYS 2 HA CYS 2 14.877 8.351 1.450 32 HB2 CYS 2 HB2 CYS 2 13.657 6.113 1.241 33 HB3 CYS 2 HB3 CYS 2 12.307 6.855 2.118 34 HG CYS 2 HG CYS 2 13.716 7.637 -0.784 35 H MET 3 H MET 3 13.176 10.052 0.890 36 HA MET 3 HA MET 3 12.923 11.974 2.964 37 HB2 MET 3 HB2 MET 3 11.486 11.770 0.293 38 HB3 MET 3 HB3 MET 3 11.373 13.132 1.399 39 HG2 MET 3 HG2 MET 3 12.995 13.840 -0.090 40 HG3 MET 3 HG3 MET 3 13.904 13.305 1.324 41 HE1 MET 3 HE1 MET 3 12.350 11.053 -1.694 42 HE2 MET 3 HE2 MET 3 12.761 12.706 -2.212 43 HE3 MET 3 HE3 MET 3 13.693 11.308 -2.820 44 H ALA 4 H ALA 4 11.291 12.698 4.192 45 HA ALA 4 HA ALA 4 9.150 10.835 4.937 46 HB1 ALA 4 HB1 ALA 4 8.822 12.520 6.774 47 HB2 ALA 4 HB2 ALA 4 10.481 11.905 6.652 48 HB3 ALA 4 HB3 ALA 4 10.075 13.522 6.038 49 H LYS 5 H LYS 5 7.036 11.949 5.577 50 HA LYS 5 HA LYS 5 6.164 14.112 3.725 51 HB2 LYS 5 HB2 LYS 5 3.882 13.189 3.680 52 HB3 LYS 5 HB3 LYS 5 5.048 12.246 2.778 53 HG2 LYS 5 HG2 LYS 5 4.391 11.415 5.611 54 HG3 LYS 5 HG3 LYS 5 3.200 11.156 4.348 55 HD2 LYS 5 HD2 LYS 5 4.772 9.816 3.034 56 HD3 LYS 5 HD3 LYS 5 6.042 10.065 4.251 57 HE2 LYS 5 HE2 LYS 5 4.666 8.958 5.964 58 HE3 LYS 5 HE3 LYS 5 3.326 8.784 4.815 59 HZ1 LYS 5 HZ1 LYS 5 4.783 7.312 3.491 60 HZ2 LYS 5 HZ2 LYS 5 5.980 7.452 4.617 61 HZ3 LYS 5 HZ3 LYS 5 4.600 6.733 5.021 62 H VAL 6 H VAL 6 5.216 15.805 4.647 63 HA VAL 6 HA VAL 6 4.973 15.817 7.625 64 HB VAL 6 HB VAL 6 5.110 18.224 5.795 65 HG11 VAL 6 HG11 VAL 6 5.790 19.401 7.876 66 HG12 VAL 6 HG12 VAL 6 4.153 18.773 7.966 67 HG13 VAL 6 HG13 VAL 6 5.474 17.921 8.800 68 HG21 VAL 6 HG21 VAL 6 7.224 17.022 5.553 69 HG22 VAL 6 HG22 VAL 6 7.462 18.473 6.521 70 HG23 VAL 6 HG23 VAL 6 7.385 16.896 7.322 71 H VAL 7 H VAL 7 3.081 16.435 8.640 72 HA VAL 7 HA VAL 7 0.862 17.518 6.993 73 HB VAL 7 HB VAL 7 0.394 15.156 7.236 74 HG11 VAL 7 HG11 VAL 7 -0.151 14.127 9.397 75 HG12 VAL 7 HG12 VAL 7 1.536 14.634 9.350 76 HG13 VAL 7 HG13 VAL 7 0.339 15.597 10.246 77 HG21 VAL 7 HG21 VAL 7 -1.483 16.816 7.229 78 HG22 VAL 7 HG22 VAL 7 -1.863 15.291 8.048 79 HG23 VAL 7 HG23 VAL 7 -1.514 16.736 9.008 80 H LEU 8 H LEU 8 -0.428 19.026 7.926 81 HA LEU 8 HA LEU 8 -0.063 19.823 10.731 82 HB2 LEU 8 HB2 LEU 8 0.674 22.075 10.212 83 HB3 LEU 8 HB3 LEU 8 1.771 20.887 9.536 84 HG LEU 8 HG LEU 8 0.299 21.298 7.325 85 HD11 LEU 8 HD11 LEU 8 -1.262 22.950 8.288 86 HD12 LEU 8 HD12 LEU 8 0.097 23.946 8.849 87 HD13 LEU 8 HD13 LEU 8 -0.212 23.747 7.117 88 HD21 LEU 8 HD21 LEU 8 2.727 21.627 7.526 89 HD22 LEU 8 HD22 LEU 8 1.977 22.902 6.581 90 HD23 LEU 8 HD23 LEU 8 2.465 23.220 8.268 91 H THR 9 H THR 9 -1.539 21.457 11.443 92 HA THR 9 HA THR 9 -4.020 21.784 9.803 93 HB THR 9 HB THR 9 -3.857 21.929 12.827 94 HG1 THR 9 HG1 THR 9 -3.443 19.829 12.146 95 HG21 THR 9 HG21 THR 9 -5.817 23.091 11.864 96 HG22 THR 9 HG22 THR 9 -6.206 21.648 10.892 97 HG23 THR 9 HG23 THR 9 -6.322 21.595 12.662 98 H LYS 10 H LYS 10 -4.623 23.770 9.303 99 HA LYS 10 HA LYS 10 -2.883 26.067 9.924 100 HB2 LYS 10 HB2 LYS 10 -5.415 25.788 8.238 101 HB3 LYS 10 HB3 LYS 10 -4.404 27.236 8.335 102 HG2 LYS 10 HG2 LYS 10 -2.459 25.850 7.466 103 HG3 LYS 10 HG3 LYS 10 -3.612 24.553 7.132 104 HD2 LYS 10 HD2 LYS 10 -3.791 27.405 6.040 105 HD3 LYS 10 HD3 LYS 10 -3.116 26.031 5.153 106 HE2 LYS 10 HE2 LYS 10 -5.198 24.949 4.929 107 HE3 LYS 10 HE3 LYS 10 -5.943 25.883 6.231 108 HZ1 LYS 10 HZ1 LYS 10 -5.101 27.083 3.662 109 HZ2 LYS 10 HZ2 LYS 10 -6.633 26.642 4.013 110 HZ3 LYS 10 HZ3 LYS 10 -5.925 27.835 4.871 111 H ALA 11 H ALA 11 -3.764 28.143 10.598 112 HA ALA 11 HA ALA 11 -5.570 28.165 12.829 113 HB1 ALA 11 HB1 ALA 11 -4.667 30.432 11.003 114 HB2 ALA 11 HB2 ALA 11 -5.390 30.598 12.620 115 HB3 ALA 11 HB3 ALA 11 -3.793 29.854 12.438 116 H ASP 12 H ASP 12 -6.148 28.252 9.380 117 HA ASP 12 HA ASP 12 -8.878 29.216 9.374 118 HB2 ASP 12 HB2 ASP 12 -7.471 27.299 7.455 119 HB3 ASP 12 HB3 ASP 12 -8.949 28.193 7.125 120 H GLY 13 H GLY 13 -7.598 26.324 10.680 121 HA2 GLY 13 HA2 GLY 13 -8.640 24.469 11.573 122 HA3 GLY 13 HA3 GLY 13 -10.183 24.966 10.883 123 H GLY 14 H GLY 14 -8.310 25.130 8.240 124 HA2 GLY 14 HA2 GLY 14 -8.877 22.452 7.191 125 HA3 GLY 14 HA3 GLY 14 -8.070 23.775 6.347 126 H ARG 15 H ARG 15 -7.072 21.310 5.974 127 HA ARG 15 HA ARG 15 -4.523 21.252 7.540 128 HB2 ARG 15 HB2 ARG 15 -6.320 18.922 6.789 129 HB3 ARG 15 HB3 ARG 15 -4.608 18.719 7.210 130 HG2 ARG 15 HG2 ARG 15 -4.955 19.823 9.352 131 HG3 ARG 15 HG3 ARG 15 -6.682 20.023 9.017 132 HD2 ARG 15 HD2 ARG 15 -7.038 17.635 9.025 133 HD3 ARG 15 HD3 ARG 15 -5.299 17.321 9.134 134 HE ARG 15 HE ARG 15 -5.564 18.827 11.317 135 HH11 ARG 15 HH11 ARG 15 -7.645 16.154 10.400 136 HH12 ARG 15 HH12 ARG 15 -8.078 15.824 12.063 137 HH21 ARG 15 HH21 ARG 15 -6.133 18.362 13.340 138 HH22 ARG 15 HH22 ARG 15 -7.219 17.047 13.694 139 H VAL 16 H VAL 16 -2.710 20.451 6.586 140 HA VAL 16 HA VAL 16 -2.595 20.466 3.598 141 HB VAL 16 HB VAL 16 -0.803 22.064 5.462 142 HG11 VAL 16 HG11 VAL 16 -0.663 21.740 2.437 143 HG12 VAL 16 HG12 VAL 16 0.247 22.929 3.383 144 HG13 VAL 16 HG13 VAL 16 0.557 21.218 3.630 145 HG21 VAL 16 HG21 VAL 16 -2.940 23.208 5.089 146 HG22 VAL 16 HG22 VAL 16 -1.654 24.037 4.218 147 HG23 VAL 16 HG23 VAL 16 -2.784 22.975 3.337 148 H GLU 17 H GLU 17 -1.130 19.107 2.710 149 HA GLU 17 HA GLU 17 0.665 17.514 4.453 150 HB2 GLU 17 HB2 GLU 17 -1.096 16.447 2.226 151 HB3 GLU 17 HB3 GLU 17 0.218 15.558 2.990 152 HG2 GLU 17 HG2 GLU 17 -0.903 15.634 5.155 153 HG3 GLU 17 HG3 GLU 17 -2.184 16.662 4.505 154 H ILE 18 H ILE 18 2.668 17.082 3.657 155 HA ILE 18 HA ILE 18 3.419 18.195 0.973 156 HB ILE 18 HB ILE 18 4.917 18.724 3.567 157 HG12 ILE 18 HG12 ILE 18 3.159 20.653 1.985 158 HG13 ILE 18 HG13 ILE 18 2.764 19.953 3.560 159 HG21 ILE 18 HG21 ILE 18 6.286 20.240 2.198 160 HG22 ILE 18 HG22 ILE 18 6.336 18.631 1.517 161 HG23 ILE 18 HG23 ILE 18 5.307 19.877 0.761 162 HD11 ILE 18 HD11 ILE 18 4.931 21.960 2.998 163 HD12 ILE 18 HD12 ILE 18 3.499 22.102 4.030 164 HD13 ILE 18 HD13 ILE 18 4.816 21.023 4.519 165 H GLY 19 H GLY 19 4.201 16.539 -0.144 166 HA2 GLY 19 HA2 GLY 19 5.542 14.244 1.144 167 HA3 GLY 19 HA3 GLY 19 5.037 14.378 -0.543 168 H ASP 20 H ASP 20 7.454 13.316 0.272 169 HA ASP 20 HA ASP 20 9.651 13.268 -0.152 170 HB2 ASP 20 HB2 ASP 20 9.115 15.094 -2.500 171 HB3 ASP 20 HB3 ASP 20 10.374 13.890 -2.311 172 H VAL 21 H VAL 21 9.266 14.982 1.912 173 HA VAL 21 HA VAL 21 10.709 17.479 1.516 174 HB VAL 21 HB VAL 21 8.886 17.186 3.187 175 HG11 VAL 21 HG11 VAL 21 9.585 15.032 4.202 176 HG12 VAL 21 HG12 VAL 21 11.008 15.839 4.901 177 HG13 VAL 21 HG13 VAL 21 9.390 16.313 5.405 178 HG21 VAL 21 HG21 VAL 21 10.447 19.099 3.231 179 HG22 VAL 21 HG22 VAL 21 9.921 18.633 4.856 180 HG23 VAL 21 HG23 VAL 21 11.534 18.163 4.289 181 H LEU 22 H LEU 22 12.823 17.858 1.574 182 HA LEU 22 HA LEU 22 14.776 15.705 2.173 183 HB2 LEU 22 HB2 LEU 22 15.094 18.582 1.240 184 HB3 LEU 22 HB3 LEU 22 16.422 17.456 1.473 185 HG LEU 22 HG LEU 22 14.184 17.071 -0.563 186 HD11 LEU 22 HD11 LEU 22 15.894 17.692 -2.215 187 HD12 LEU 22 HD12 LEU 22 15.606 19.019 -1.079 188 HD13 LEU 22 HD13 LEU 22 17.058 18.005 -0.914 189 HD21 LEU 22 HD21 LEU 22 16.843 15.610 -0.237 190 HD22 LEU 22 HD22 LEU 22 15.246 14.943 0.132 191 HD23 LEU 22 HD23 LEU 22 15.652 15.362 -1.538 192 H GLU 23 H GLU 23 13.612 18.797 3.510 193 HA GLU 23 HA GLU 23 14.774 18.159 6.122 194 HB2 GLU 23 HB2 GLU 23 16.630 19.250 5.138 195 HB3 GLU 23 HB3 GLU 23 15.644 20.581 4.504 196 HG2 GLU 23 HG2 GLU 23 15.215 21.416 6.753 197 HG3 GLU 23 HG3 GLU 23 16.010 20.010 7.473 198 H VAL 24 H VAL 24 13.734 19.040 7.810 199 HA VAL 24 HA VAL 24 11.815 21.254 7.421 200 HB VAL 24 HB VAL 24 10.470 19.246 7.395 201 HG11 VAL 24 HG11 VAL 24 11.805 17.662 8.573 202 HG12 VAL 24 HG12 VAL 24 11.609 18.553 10.107 203 HG13 VAL 24 HG13 VAL 24 10.206 17.786 9.324 204 HG21 VAL 24 HG21 VAL 24 8.861 19.809 9.092 205 HG22 VAL 24 HG22 VAL 24 10.087 20.593 10.095 206 HG23 VAL 24 HG23 VAL 24 9.602 21.318 8.552 207 H ARG 25 H ARG 25 11.713 22.688 9.142 208 HA ARG 25 HA ARG 25 13.132 22.113 11.665 209 HB2 ARG 25 HB2 ARG 25 14.551 24.188 11.418 210 HB3 ARG 25 HB3 ARG 25 15.032 22.819 10.411 211 HG2 ARG 25 HG2 ARG 25 14.138 23.798 8.426 212 HG3 ARG 25 HG3 ARG 25 13.254 25.018 9.347 213 HD2 ARG 25 HD2 ARG 25 15.037 26.205 8.450 214 HD3 ARG 25 HD3 ARG 25 15.475 25.911 10.140 215 HE ARG 25 HE ARG 25 16.555 23.866 8.365 216 HH11 ARG 25 HH11 ARG 25 17.192 27.162 9.466 217 HH12 ARG 25 HH12 ARG 25 18.876 27.053 8.968 218 HH21 ARG 25 HH21 ARG 25 18.545 23.838 7.751 219 HH22 ARG 25 HH22 ARG 25 19.658 25.181 8.014 220 H ALA 26 H ALA 26 12.694 23.452 13.342 221 HA ALA 26 HA ALA 26 10.426 25.377 13.040 222 HB1 ALA 26 HB1 ALA 26 11.558 24.014 15.514 223 HB2 ALA 26 HB2 ALA 26 10.188 25.145 15.485 224 HB3 ALA 26 HB3 ALA 26 10.053 23.567 14.682 225 H GLU 27 H GLU 27 11.122 27.403 12.725 226 HA GLU 27 HA GLU 27 13.420 28.504 14.222 227 HB2 GLU 27 HB2 GLU 27 14.426 27.300 12.293 228 HB3 GLU 27 HB3 GLU 27 13.480 28.314 11.187 229 HG2 GLU 27 HG2 GLU 27 14.630 30.328 12.020 230 HG3 GLU 27 HG3 GLU 27 15.451 29.367 13.255 231 H GLY 28 H GLY 28 13.155 30.608 14.692 232 HA2 GLY 28 HA2 GLY 28 12.455 32.779 14.635 233 HA3 GLY 28 HA3 GLY 28 12.312 32.597 12.880 234 H GLY 29 H GLY 29 10.390 30.903 15.379 235 HA2 GLY 29 HA2 GLY 29 8.166 31.065 15.984 236 HA3 GLY 29 HA3 GLY 29 8.039 32.586 15.104 237 H ALA 30 H ALA 30 9.158 29.830 13.269 238 HA ALA 30 HA ALA 30 6.477 29.038 12.343 239 HB1 ALA 30 HB1 ALA 30 8.599 30.169 10.454 240 HB2 ALA 30 HB2 ALA 30 7.031 29.481 9.982 241 HB3 ALA 30 HB3 ALA 30 7.093 30.996 10.913 242 H VAL 31 H VAL 31 6.469 27.033 11.189 243 HA VAL 31 HA VAL 31 9.059 25.532 11.204 244 HB VAL 31 HB VAL 31 6.249 24.506 10.812 245 HG11 VAL 31 HG11 VAL 31 7.388 22.249 10.581 246 HG12 VAL 31 HG12 VAL 31 7.591 23.289 9.171 247 HG13 VAL 31 HG13 VAL 31 8.918 23.094 10.337 248 HG21 VAL 31 HG21 VAL 31 6.850 23.139 12.739 249 HG22 VAL 31 HG22 VAL 31 8.526 23.750 12.715 250 HG23 VAL 31 HG23 VAL 31 7.198 24.837 13.131 251 H ARG 32 H ARG 32 10.073 24.958 9.400 252 HA ARG 32 HA ARG 32 9.130 26.081 6.792 253 HB2 ARG 32 HB2 ARG 32 11.975 26.297 7.847 254 HB3 ARG 32 HB3 ARG 32 11.304 27.038 6.390 255 HG2 ARG 32 HG2 ARG 32 9.838 28.473 7.814 256 HG3 ARG 32 HG3 ARG 32 10.532 27.726 9.262 257 HD2 ARG 32 HD2 ARG 32 12.802 28.510 8.504 258 HD3 ARG 32 HD3 ARG 32 11.981 29.467 7.259 259 HE ARG 32 HE ARG 32 11.554 29.724 10.240 260 HH11 ARG 32 HH11 ARG 32 11.666 31.400 7.143 261 HH12 ARG 32 HH12 ARG 32 11.261 32.920 7.898 262 HH21 ARG 32 HH21 ARG 32 11.079 31.586 11.074 263 HH22 ARG 32 HH22 ARG 32 10.926 33.036 10.094 264 H VAL 33 H VAL 33 9.683 24.909 4.989 265 HA VAL 33 HA VAL 33 11.074 22.288 5.388 266 HB VAL 33 HB VAL 33 9.421 21.226 3.892 267 HG11 VAL 33 HG11 VAL 33 7.632 20.952 5.552 268 HG12 VAL 33 HG12 VAL 33 9.236 20.911 6.281 269 HG13 VAL 33 HG13 VAL 33 8.230 22.368 6.450 270 HG21 VAL 33 HG21 VAL 33 7.728 23.715 4.300 271 HG22 VAL 33 HG22 VAL 33 8.471 23.215 2.768 272 HG23 VAL 33 HG23 VAL 33 7.224 22.208 3.517 273 H THR 34 H THR 34 12.105 21.397 3.653 274 HA THR 34 HA THR 34 12.223 22.900 1.065 275 HB THR 34 HB THR 34 14.569 21.487 2.387 276 HG1 THR 34 HG1 THR 34 14.077 23.474 3.376 277 HG21 THR 34 HG21 THR 34 14.342 23.143 -0.171 278 HG22 THR 34 HG22 THR 34 15.866 22.580 0.563 279 HG23 THR 34 HG23 THR 34 14.706 21.406 -0.073 280 H THR 35 H THR 35 11.602 21.666 -0.602 281 HA THR 35 HA THR 35 11.217 18.736 -0.181 282 HB THR 35 HB THR 35 9.665 18.802 -2.015 283 HG1 THR 35 HG1 THR 35 10.215 21.558 -2.224 284 HG21 THR 35 HG21 THR 35 9.107 21.183 -0.204 285 HG22 THR 35 HG22 THR 35 7.928 20.239 -1.137 286 HG23 THR 35 HG23 THR 35 8.802 19.489 0.214 287 H LEU 36 H LEU 36 11.485 17.267 -1.932 288 HA LEU 36 HA LEU 36 13.936 16.946 -3.134 289 HB2 LEU 36 HB2 LEU 36 12.135 15.290 -2.882 290 HB3 LEU 36 HB3 LEU 36 11.134 16.150 -4.034 291 HG LEU 36 HG LEU 36 12.799 15.622 -5.846 292 HD11 LEU 36 HD11 LEU 36 14.821 15.276 -4.484 293 HD12 LEU 36 HD12 LEU 36 14.040 13.929 -3.627 294 HD13 LEU 36 HD13 LEU 36 14.430 13.783 -5.354 295 HD21 LEU 36 HD21 LEU 36 12.166 13.270 -6.042 296 HD22 LEU 36 HD22 LEU 36 11.699 13.227 -4.333 297 HD23 LEU 36 HD23 LEU 36 10.801 14.245 -5.477 298 H PHE 37 H PHE 37 11.299 18.938 -4.348 299 HA PHE 37 HA PHE 37 12.443 19.272 -7.017 300 HB2 PHE 37 HB2 PHE 37 10.063 20.692 -5.782 301 HB3 PHE 37 HB3 PHE 37 10.392 20.417 -7.497 302 HD1 PHE 37 HD1 PHE 37 8.661 19.172 -4.611 303 HD2 PHE 37 HD2 PHE 37 10.560 17.881 -8.264 304 HE1 PHE 37 HE1 PHE 37 7.480 16.992 -4.455 305 HE2 PHE 37 HE2 PHE 37 9.390 15.700 -8.097 306 HZ PHE 37 HZ PHE 37 7.848 15.254 -6.182 307 H ASP 38 H ASP 38 13.552 20.499 -4.290 308 HA ASP 38 HA ASP 38 14.581 22.287 -3.493 309 HB2 ASP 38 HB2 ASP 38 14.836 23.355 -6.324 310 HB3 ASP 38 HB3 ASP 38 15.755 23.860 -4.916 311 H GLU 39 H GLU 39 11.562 22.398 -4.197 312 HA GLU 39 HA GLU 39 11.030 25.281 -3.914 313 HB2 GLU 39 HB2 GLU 39 9.518 23.863 -5.266 314 HB3 GLU 39 HB3 GLU 39 9.159 22.897 -3.839 315 HG2 GLU 39 HG2 GLU 39 7.330 24.418 -4.298 316 HG3 GLU 39 HG3 GLU 39 8.070 24.839 -2.771 317 H GLU 40 H GLU 40 10.126 26.258 -2.094 318 HA GLU 40 HA GLU 40 10.442 24.836 0.516 319 HB2 GLU 40 HB2 GLU 40 11.512 27.583 -0.209 320 HB3 GLU 40 HB3 GLU 40 11.418 26.942 1.439 321 HG2 GLU 40 HG2 GLU 40 12.955 25.144 0.889 322 HG3 GLU 40 HG3 GLU 40 12.987 25.627 -0.809 323 H HIS 41 H HIS 41 9.189 25.532 2.212 324 HA HIS 41 HA HIS 41 7.137 27.625 1.795 325 HB2 HIS 41 HB2 HIS 41 6.398 24.809 2.655 326 HB3 HIS 41 HB3 HIS 41 5.312 26.182 2.539 327 HD2 HIS 41 HD2 HIS 41 6.704 23.333 0.523 328 HE1 HIS 41 HE1 HIS 41 4.634 25.781 -2.295 329 HE2 HIS 41 HE2 HIS 41 5.759 23.520 -1.931 330 H ALA 42 H ALA 42 6.080 28.284 3.796 331 HA ALA 42 HA ALA 42 7.346 27.429 6.315 332 HB1 ALA 42 HB1 ALA 42 7.813 29.764 6.975 333 HB2 ALA 42 HB2 ALA 42 8.754 29.272 5.555 334 HB3 ALA 42 HB3 ALA 42 7.330 30.313 5.350 335 H PHE 43 H PHE 43 6.146 27.718 8.121 336 HA PHE 43 HA PHE 43 3.280 28.517 7.871 337 HB2 PHE 43 HB2 PHE 43 4.410 25.928 8.952 338 HB3 PHE 43 HB3 PHE 43 2.709 26.404 8.959 339 HD1 PHE 43 HD1 PHE 43 1.456 26.640 6.780 340 HD2 PHE 43 HD2 PHE 43 5.454 25.021 6.984 341 HE1 PHE 43 HE1 PHE 43 1.216 25.724 4.479 342 HE2 PHE 43 HE2 PHE 43 5.202 24.101 4.701 343 HZ PHE 43 HZ PHE 43 3.084 24.459 3.438 344 HA PRO 44 HA PRO 44 5.000 30.548 11.582 345 HB2 PRO 44 HB2 PRO 44 2.468 32.117 11.224 346 HB3 PRO 44 HB3 PRO 44 4.112 32.694 11.655 347 HG2 PRO 44 HG2 PRO 44 3.231 32.988 9.122 348 HG3 PRO 44 HG3 PRO 44 4.891 32.371 9.413 349 HD2 PRO 44 HD2 PRO 44 2.395 30.757 8.797 350 HD3 PRO 44 HD3 PRO 44 4.028 30.664 8.061 351 H GLY 45 H GLY 45 4.571 30.490 13.759 352 HA2 GLY 45 HA2 GLY 45 3.458 30.095 15.756 353 HA3 GLY 45 HA3 GLY 45 1.965 29.795 14.867 354 H LEU 46 H LEU 46 4.286 27.757 13.532 355 HA LEU 46 HA LEU 46 3.309 25.481 15.142 356 HB2 LEU 46 HB2 LEU 46 4.691 25.506 12.443 357 HB3 LEU 46 HB3 LEU 46 4.075 24.075 13.260 358 HG LEU 46 HG LEU 46 2.434 26.366 12.118 359 HD11 LEU 46 HD11 LEU 46 1.599 24.657 10.602 360 HD12 LEU 46 HD12 LEU 46 3.370 24.603 10.562 361 HD13 LEU 46 HD13 LEU 46 2.474 23.382 11.476 362 HD21 LEU 46 HD21 LEU 46 1.487 23.892 13.632 363 HD22 LEU 46 HD22 LEU 46 1.289 25.576 14.161 364 HD23 LEU 46 HD23 LEU 46 0.441 25.004 12.729 365 H ALA 47 H ALA 47 4.638 23.706 15.619 366 HA ALA 47 HA ALA 47 7.564 23.906 15.389 367 HB1 ALA 47 HB1 ALA 47 7.217 24.666 17.674 368 HB2 ALA 47 HB2 ALA 47 6.146 23.278 18.015 369 HB3 ALA 47 HB3 ALA 47 7.890 23.032 17.706 370 H ILE 48 H ILE 48 8.599 21.740 15.613 371 HA ILE 48 HA ILE 48 7.010 19.665 14.281 372 HB ILE 48 HB ILE 48 9.842 19.572 15.335 373 HG12 ILE 48 HG12 ILE 48 9.032 19.742 12.405 374 HG13 ILE 48 HG13 ILE 48 9.261 21.200 13.360 375 HG21 ILE 48 HG21 ILE 48 10.033 17.555 13.828 376 HG22 ILE 48 HG22 ILE 48 8.940 17.305 15.182 377 HG23 ILE 48 HG23 ILE 48 8.282 17.628 13.562 378 HD11 ILE 48 HD11 ILE 48 11.303 20.689 12.159 379 HD12 ILE 48 HD12 ILE 48 11.583 20.529 13.901 380 HD13 ILE 48 HD13 ILE 48 11.380 19.080 12.873 381 H GLY 49 H GLY 49 5.751 18.223 15.245 382 HA2 GLY 49 HA2 GLY 49 5.732 18.052 18.220 383 HA3 GLY 49 HA3 GLY 49 4.447 17.599 17.107 384 H ARG 50 H ARG 50 5.632 15.839 15.400 385 HA ARG 50 HA ARG 50 6.893 13.675 16.984 386 HB2 ARG 50 HB2 ARG 50 4.494 13.450 17.427 387 HB3 ARG 50 HB3 ARG 50 4.147 13.417 15.699 388 HG2 ARG 50 HG2 ARG 50 5.271 11.280 15.437 389 HG3 ARG 50 HG3 ARG 50 5.837 11.322 17.116 390 HD2 ARG 50 HD2 ARG 50 3.529 11.242 17.936 391 HD3 ARG 50 HD3 ARG 50 2.898 11.282 16.293 392 HE ARG 50 HE ARG 50 4.300 9.031 17.640 393 HH11 ARG 50 HH11 ARG 50 2.789 10.097 14.633 394 HH12 ARG 50 HH12 ARG 50 2.845 8.474 13.973 395 HH21 ARG 50 HH21 ARG 50 4.302 7.039 16.701 396 HH22 ARG 50 HH22 ARG 50 3.733 6.869 15.039 397 H VAL 51 H VAL 51 7.932 12.150 15.878 398 HA VAL 51 HA VAL 51 7.996 12.203 12.887 399 HB VAL 51 HB VAL 51 10.418 12.036 14.721 400 HG11 VAL 51 HG11 VAL 51 11.716 12.188 12.594 401 HG12 VAL 51 HG12 VAL 51 10.756 10.711 12.691 402 HG13 VAL 51 HG13 VAL 51 10.203 12.060 11.684 403 HG21 VAL 51 HG21 VAL 51 9.626 14.299 12.843 404 HG22 VAL 51 HG22 VAL 51 9.597 14.360 14.618 405 HG23 VAL 51 HG23 VAL 51 11.127 14.172 13.780 406 H ASP 52 H ASP 52 7.565 10.233 12.125 407 HA ASP 52 HA ASP 52 7.838 7.823 13.902 408 HB2 ASP 52 HB2 ASP 52 5.563 8.767 13.694 409 HB3 ASP 52 HB3 ASP 52 5.632 8.560 11.956 410 H LEU 53 H LEU 53 9.668 6.938 13.120 411 HA LEU 53 HA LEU 53 10.398 6.998 10.320 412 HB2 LEU 53 HB2 LEU 53 11.657 5.550 12.685 413 HB3 LEU 53 HB3 LEU 53 12.365 5.720 11.097 414 HG LEU 53 HG LEU 53 13.501 7.204 12.428 415 HD11 LEU 53 HD11 LEU 53 13.119 9.388 11.470 416 HD12 LEU 53 HD12 LEU 53 12.837 8.154 10.239 417 HD13 LEU 53 HD13 LEU 53 11.458 8.969 11.029 418 HD21 LEU 53 HD21 LEU 53 12.007 7.372 14.358 419 HD22 LEU 53 HD22 LEU 53 12.642 8.935 13.849 420 HD23 LEU 53 HD23 LEU 53 10.968 8.510 13.473 421 H ARG 54 H ARG 54 8.329 4.920 11.980 422 HA ARG 54 HA ARG 54 8.854 2.400 10.658 423 HB2 ARG 54 HB2 ARG 54 6.190 3.476 11.679 424 HB3 ARG 54 HB3 ARG 54 6.612 1.781 11.396 425 HG2 ARG 54 HG2 ARG 54 8.263 1.868 13.250 426 HG3 ARG 54 HG3 ARG 54 7.874 3.580 13.523 427 HD2 ARG 54 HD2 ARG 54 5.415 2.797 13.768 428 HD3 ARG 54 HD3 ARG 54 6.071 1.157 13.865 429 HE ARG 54 HE ARG 54 6.855 1.603 16.018 430 HH11 ARG 54 HH11 ARG 54 6.082 4.780 14.595 431 HH12 ARG 54 HH12 ARG 54 5.923 5.455 16.224 432 HH21 ARG 54 HH21 ARG 54 6.623 2.738 17.999 433 HH22 ARG 54 HH22 ARG 54 6.194 4.445 17.916 434 H SER 55 H SER 55 7.301 5.309 9.650 435 HA SER 55 HA SER 55 6.789 4.194 6.909 436 HB2 SER 55 HB2 SER 55 4.679 4.233 8.176 437 HB3 SER 55 HB3 SER 55 4.915 5.935 8.557 438 HG SER 55 HG SER 55 3.485 5.379 6.721 439 H GLY 56 H GLY 56 7.910 6.886 8.870 440 HA2 GLY 56 HA2 GLY 56 9.202 8.701 8.171 441 HA3 GLY 56 HA3 GLY 56 8.804 8.389 6.474 442 H VAL 57 H VAL 57 6.577 8.754 9.257 443 HA VAL 57 HA VAL 57 5.234 11.061 7.903 444 HB VAL 57 HB VAL 57 4.324 9.387 10.262 445 HG11 VAL 57 HG11 VAL 57 2.172 10.622 10.011 446 HG12 VAL 57 HG12 VAL 57 3.485 11.661 10.562 447 HG13 VAL 57 HG13 VAL 57 2.957 11.734 8.866 448 HG21 VAL 57 HG21 VAL 57 2.555 8.630 8.760 449 HG22 VAL 57 HG22 VAL 57 3.183 9.651 7.448 450 HG23 VAL 57 HG23 VAL 57 4.124 8.252 8.054 451 H ILE 58 H ILE 58 5.330 13.067 8.667 452 HA ILE 58 HA ILE 58 6.504 13.614 11.360 453 HB ILE 58 HB ILE 58 6.988 15.089 8.758 454 HG12 ILE 58 HG12 ILE 58 8.842 13.662 10.714 455 HG13 ILE 58 HG13 ILE 58 8.392 13.102 9.100 456 HG21 ILE 58 HG21 ILE 58 6.594 16.748 10.569 457 HG22 ILE 58 HG22 ILE 58 7.807 15.914 11.578 458 HG23 ILE 58 HG23 ILE 58 8.258 16.745 10.072 459 HD11 ILE 58 HD11 ILE 58 10.146 15.479 9.758 460 HD12 ILE 58 HD12 ILE 58 10.581 13.979 8.925 461 HD13 ILE 58 HD13 ILE 58 9.501 15.134 8.134 462 H SER 59 H SER 59 5.239 14.761 12.656 463 HA SER 59 HA SER 59 2.774 16.063 11.530 464 HB2 SER 59 HB2 SER 59 3.056 14.707 14.217 465 HB3 SER 59 HB3 SER 59 1.593 15.434 13.549 466 HG SER 59 HG SER 59 1.553 13.839 11.967 467 H LEU 60 H LEU 60 2.528 18.164 11.959 468 HA LEU 60 HA LEU 60 4.335 19.466 13.922 469 HB2 LEU 60 HB2 LEU 60 2.517 20.770 11.880 470 HB3 LEU 60 HB3 LEU 60 3.782 21.530 12.846 471 HG LEU 60 HG LEU 60 4.145 19.531 10.573 472 HD11 LEU 60 HD11 LEU 60 3.692 21.877 9.929 473 HD12 LEU 60 HD12 LEU 60 5.023 22.427 10.946 474 HD13 LEU 60 HD13 LEU 60 5.340 21.420 9.510 475 HD21 LEU 60 HD21 LEU 60 5.889 19.042 12.242 476 HD22 LEU 60 HD22 LEU 60 6.598 19.860 10.855 477 HD23 LEU 60 HD23 LEU 60 6.301 20.766 12.355 478 H ILE 61 H ILE 61 3.646 21.010 15.371 479 HA ILE 61 HA ILE 61 0.836 20.872 16.400 480 HB ILE 61 HB ILE 61 1.783 21.178 18.651 481 HG12 ILE 61 HG12 ILE 61 4.472 20.201 17.655 482 HG13 ILE 61 HG13 ILE 61 4.119 21.915 17.696 483 HG21 ILE 61 HG21 ILE 61 2.361 18.786 18.997 484 HG22 ILE 61 HG22 ILE 61 0.945 19.020 17.954 485 HG23 ILE 61 HG23 ILE 61 2.509 18.579 17.240 486 HD11 ILE 61 HD11 ILE 61 5.235 21.279 19.741 487 HD12 ILE 61 HD12 ILE 61 3.577 21.805 20.079 488 HD13 ILE 61 HD13 ILE 61 3.974 20.073 20.096 489 H GLU 62 H GLU 62 0.258 22.858 17.673 490 HA GLU 62 HA GLU 62 1.498 25.346 16.684 491 HB2 GLU 62 HB2 GLU 62 -0.268 25.110 19.131 492 HB3 GLU 62 HB3 GLU 62 0.116 26.516 18.162 493 HG2 GLU 62 HG2 GLU 62 -2.052 26.039 17.528 494 HG3 GLU 62 HG3 GLU 62 -1.089 25.412 16.195 495 H GLU 63 H GLU 63 3.184 26.439 17.710 496 HA GLU 63 HA GLU 63 4.800 24.916 19.581 497 HB2 GLU 63 HB2 GLU 63 6.348 26.724 19.497 498 HB3 GLU 63 HB3 GLU 63 5.735 26.424 17.868 499 HG2 GLU 63 HG2 GLU 63 4.131 28.322 18.156 500 HG3 GLU 63 HG3 GLU 63 4.870 28.680 19.714 501 H GLN 64 H GLN 64 2.282 27.261 20.031 502 HA GLN 64 HA GLN 64 2.305 26.824 22.930 503 HB2 GLN 64 HB2 GLN 64 2.272 29.625 21.709 504 HB3 GLN 64 HB3 GLN 64 1.845 29.226 23.382 505 HG2 GLN 64 HG2 GLN 64 4.158 28.302 23.730 506 HG3 GLN 64 HG3 GLN 64 4.584 28.889 22.119 507 HE21 GLN 64 HE21 GLN 64 6.238 29.928 23.808 508 HE22 GLN 64 HE22 GLN 64 5.784 31.548 24.321 509 H ASN 65 H ASN 65 0.231 27.019 23.853 510 HA ASN 65 HA ASN 65 -2.063 27.371 21.958 511 HB2 ASN 65 HB2 ASN 65 -1.672 25.248 24.104 512 HB3 ASN 65 HB3 ASN 65 -3.170 25.526 23.226 513 HD21 ASN 65 HD21 ASN 65 -3.320 24.955 20.996 514 HD22 ASN 65 HD22 ASN 65 -2.105 23.934 20.235 515 H ARG 66 H ARG 66 -0.732 29.066 24.274 516 HA ARG 66 HA ARG 66 -2.953 29.627 26.113 517 HB2 ARG 66 HB2 ARG 66 -0.335 31.072 25.540 518 HB3 ARG 66 HB3 ARG 66 -1.523 31.561 26.762 519 HG2 ARG 66 HG2 ARG 66 -1.241 29.324 27.885 520 HG3 ARG 66 HG3 ARG 66 0.005 28.918 26.699 521 HD2 ARG 66 HD2 ARG 66 1.100 29.643 28.703 522 HD3 ARG 66 HD3 ARG 66 1.339 30.882 27.458 523 HE ARG 66 HE ARG 66 -0.985 31.507 29.018 524 HH11 ARG 66 HH11 ARG 66 -0.967 33.066 30.585 525 HH12 ARG 66 HH12 ARG 66 0.548 33.594 31.281 526 HH21 ARG 66 HH21 ARG 66 2.500 31.518 29.386 527 HH22 ARG 66 HH22 ARG 66 2.455 32.727 30.643 528 H1 GLY -3 H1 GLY -3 11.482 -10.418 3.583 529 H2 GLY -3 H2 GLY -3 12.374 -11.769 3.339 530 H3 GLY -3 H3 GLY -3 11.279 -11.296 2.218 531 HA2 GLY -3 HA2 GLY -3 13.483 -10.770 1.441 532 HA3 GLY -3 HA3 GLY -3 12.544 -9.300 1.741 533 HA PRO -2 HA PRO -2 16.665 -8.910 3.847 534 HB2 PRO -2 HB2 PRO -2 16.185 -6.082 2.922 535 HB3 PRO -2 HB3 PRO -2 17.718 -7.014 2.947 536 HG2 PRO -2 HG2 PRO -2 16.381 -6.696 0.624 537 HG3 PRO -2 HG3 PRO -2 17.037 -8.316 1.057 538 HD2 PRO -2 HD2 PRO -2 14.197 -7.289 1.384 539 HD3 PRO -2 HD3 PRO -2 14.759 -8.831 0.687 540 H GLY -1 H GLY -1 17.302 -7.775 5.757 541 HA2 GLY -1 HA2 GLY -1 15.212 -6.989 7.637 542 HA3 GLY -1 HA3 GLY -1 16.951 -7.006 7.912 543 H SER 0 H SER 0 16.068 -4.976 9.092 544 HA SER 0 HA SER 0 16.730 -2.623 7.433 545 HB2 SER 0 HB2 SER 0 14.265 -2.823 7.303 546 HB3 SER 0 HB3 SER 0 14.179 -2.736 9.076 547 HG SER 0 HG SER 0 13.871 -0.692 8.026 548 H MET 1 H MET 1 17.703 -1.006 8.490 549 HA MET 1 HA MET 1 17.823 -0.614 11.340 550 HB2 MET 1 HB2 MET 1 20.221 -1.004 11.641 551 HB3 MET 1 HB3 MET 1 19.378 -2.495 11.245 552 HG2 MET 1 HG2 MET 1 20.169 -2.311 8.885 553 HG3 MET 1 HG3 MET 1 20.997 -0.806 9.293 554 HE1 MET 1 HE1 MET 1 20.762 -4.297 11.304 555 HE2 MET 1 HE2 MET 1 20.947 -4.701 9.582 556 HE3 MET 1 HE3 MET 1 22.269 -5.040 10.720 557 H CYS 2 H CYS 2 19.505 1.187 11.797 558 HA CYS 2 HA CYS 2 20.199 3.297 11.507 559 HB2 CYS 2 HB2 CYS 2 20.820 2.393 8.701 560 HB3 CYS 2 HB3 CYS 2 21.563 3.760 9.546 561 HG CYS 2 HG CYS 2 22.687 2.416 11.454 562 H MET 3 H MET 3 17.342 2.774 10.628 563 HA MET 3 HA MET 3 16.379 4.310 8.594 564 HB2 MET 3 HB2 MET 3 15.110 4.270 11.364 565 HB3 MET 3 HB3 MET 3 14.321 4.611 9.837 566 HG2 MET 3 HG2 MET 3 13.678 2.441 10.369 567 HG3 MET 3 HG3 MET 3 14.854 2.281 9.076 568 HE1 MET 3 HE1 MET 3 15.914 2.902 12.925 569 HE2 MET 3 HE2 MET 3 14.326 2.097 13.007 570 HE3 MET 3 HE3 MET 3 15.800 1.240 13.526 571 H ALA 4 H ALA 4 17.047 5.573 11.857 572 HA ALA 4 HA ALA 4 18.047 8.069 10.857 573 HB1 ALA 4 HB1 ALA 4 15.581 8.584 10.813 574 HB2 ALA 4 HB2 ALA 4 15.503 8.185 12.541 575 HB3 ALA 4 HB3 ALA 4 16.446 9.574 11.998 576 H LYS 5 H LYS 5 18.715 9.487 12.724 577 HA LYS 5 HA LYS 5 18.867 8.168 15.372 578 HB2 LYS 5 HB2 LYS 5 21.171 8.706 15.736 579 HB3 LYS 5 HB3 LYS 5 21.050 7.724 14.277 580 HG2 LYS 5 HG2 LYS 5 21.381 9.712 12.869 581 HG3 LYS 5 HG3 LYS 5 21.354 10.772 14.289 582 HD2 LYS 5 HD2 LYS 5 23.330 9.573 15.205 583 HD3 LYS 5 HD3 LYS 5 23.427 8.618 13.707 584 HE2 LYS 5 HE2 LYS 5 23.807 10.636 12.390 585 HE3 LYS 5 HE3 LYS 5 23.506 11.663 13.800 586 HZ1 LYS 5 HZ1 LYS 5 25.766 9.757 13.575 587 HZ2 LYS 5 HZ2 LYS 5 25.886 11.379 13.422 588 HZ3 LYS 5 HZ3 LYS 5 25.462 10.721 14.865 589 H VAL 6 H VAL 6 19.096 9.543 17.130 590 HA VAL 6 HA VAL 6 18.210 12.366 16.703 591 HB VAL 6 HB VAL 6 18.040 10.562 19.123 592 HG11 VAL 6 HG11 VAL 6 18.492 12.807 20.000 593 HG12 VAL 6 HG12 VAL 6 17.246 13.488 18.919 594 HG13 VAL 6 HG13 VAL 6 16.805 12.394 20.244 595 HG21 VAL 6 HG21 VAL 6 15.871 11.938 17.510 596 HG22 VAL 6 HG22 VAL 6 16.320 10.227 17.353 597 HG23 VAL 6 HG23 VAL 6 15.644 10.825 18.869 598 H VAL 7 H VAL 7 19.375 14.075 17.548 599 HA VAL 7 HA VAL 7 21.765 13.537 19.210 600 HB VAL 7 HB VAL 7 22.651 13.683 16.960 601 HG11 VAL 7 HG11 VAL 7 21.466 16.485 16.760 602 HG12 VAL 7 HG12 VAL 7 22.559 15.705 15.599 603 HG13 VAL 7 HG13 VAL 7 20.931 15.066 15.844 604 HG21 VAL 7 HG21 VAL 7 23.915 14.663 18.906 605 HG22 VAL 7 HG22 VAL 7 24.345 15.322 17.322 606 HG23 VAL 7 HG23 VAL 7 23.323 16.264 18.417 607 H LEU 8 H LEU 8 22.167 14.986 20.759 608 HA LEU 8 HA LEU 8 20.665 17.522 20.955 609 HB2 LEU 8 HB2 LEU 8 19.759 16.956 23.129 610 HB3 LEU 8 HB3 LEU 8 19.119 15.902 21.894 611 HG LEU 8 HG LEU 8 21.510 14.856 23.371 612 HD11 LEU 8 HD11 LEU 8 18.783 15.028 24.697 613 HD12 LEU 8 HD12 LEU 8 20.202 14.148 25.309 614 HD13 LEU 8 HD13 LEU 8 20.245 15.906 25.216 615 HD21 LEU 8 HD21 LEU 8 20.235 12.765 23.321 616 HD22 LEU 8 HD22 LEU 8 18.818 13.606 22.674 617 HD23 LEU 8 HD23 LEU 8 20.300 13.470 21.700 618 H THR 9 H THR 9 21.348 18.898 22.665 619 HA THR 9 HA THR 9 24.110 18.392 23.713 620 HB THR 9 HB THR 9 22.869 21.121 23.288 621 HG1 THR 9 HG1 THR 9 23.144 20.186 21.286 622 HG21 THR 9 HG21 THR 9 25.231 21.866 23.391 623 HG22 THR 9 HG22 THR 9 24.734 21.067 24.896 624 HG23 THR 9 HG23 THR 9 25.747 20.199 23.716 625 H LYS 10 H LYS 10 24.406 18.394 25.839 626 HA LYS 10 HA LYS 10 22.087 18.574 27.661 627 HB2 LYS 10 HB2 LYS 10 25.031 17.929 28.123 628 HB3 LYS 10 HB3 LYS 10 23.772 17.830 29.352 629 HG2 LYS 10 HG2 LYS 10 22.567 16.155 27.858 630 HG3 LYS 10 HG3 LYS 10 24.027 16.094 26.863 631 HD2 LYS 10 HD2 LYS 10 23.923 15.538 29.858 632 HD3 LYS 10 HD3 LYS 10 23.858 14.280 28.635 633 HE2 LYS 10 HE2 LYS 10 26.089 14.668 27.919 634 HE3 LYS 10 HE3 LYS 10 26.163 16.248 28.701 635 HZ1 LYS 10 HZ1 LYS 10 27.355 14.513 29.955 636 HZ2 LYS 10 HZ2 LYS 10 26.173 15.221 30.839 637 HZ3 LYS 10 HZ3 LYS 10 25.951 13.715 30.223 638 H ALA 11 H ALA 11 22.170 19.739 29.682 639 HA ALA 11 HA ALA 11 23.061 22.474 29.610 640 HB1 ALA 11 HB1 ALA 11 22.304 20.677 31.969 641 HB2 ALA 11 HB2 ALA 11 22.412 22.451 32.005 642 HB3 ALA 11 HB3 ALA 11 21.179 21.654 31.003 643 H ASP 12 H ASP 12 24.719 19.507 30.414 644 HA ASP 12 HA ASP 12 26.970 20.609 31.854 645 HB2 ASP 12 HB2 ASP 12 26.798 18.126 30.097 646 HB3 ASP 12 HB3 ASP 12 28.060 18.471 31.284 647 H GLY 13 H GLY 13 26.079 21.016 28.575 648 HA2 GLY 13 HA2 GLY 13 27.175 22.095 26.837 649 HA3 GLY 13 HA3 GLY 13 28.696 22.044 27.722 650 H GLY 14 H GLY 14 27.842 18.945 27.988 651 HA2 GLY 14 HA2 GLY 14 29.313 17.916 25.661 652 HA3 GLY 14 HA3 GLY 14 28.584 16.988 26.964 653 H ARG 15 H ARG 15 28.325 15.981 24.506 654 HA ARG 15 HA ARG 15 25.466 16.460 23.734 655 HB2 ARG 15 HB2 ARG 15 27.888 16.141 21.915 656 HB3 ARG 15 HB3 ARG 15 26.222 15.829 21.376 657 HG2 ARG 15 HG2 ARG 15 25.544 18.080 22.057 658 HG3 ARG 15 HG3 ARG 15 27.203 18.460 22.551 659 HD2 ARG 15 HD2 ARG 15 27.993 18.316 20.289 660 HD3 ARG 15 HD3 ARG 15 26.458 17.629 19.723 661 HE ARG 15 HE ARG 15 25.592 19.945 20.808 662 HH11 ARG 15 HH11 ARG 15 28.105 19.433 18.420 663 HH12 ARG 15 HH12 ARG 15 27.839 20.988 17.674 664 HH21 ARG 15 HH21 ARG 15 25.307 21.871 19.856 665 HH22 ARG 15 HH22 ARG 15 26.277 22.345 18.485 666 H VAL 16 H VAL 16 24.306 14.806 22.893 667 HA VAL 16 HA VAL 16 25.198 12.007 23.428 668 HB VAL 16 HB VAL 16 22.653 13.291 24.495 669 HG11 VAL 16 HG11 VAL 16 22.139 10.991 23.803 670 HG12 VAL 16 HG12 VAL 16 23.574 10.391 24.672 671 HG13 VAL 16 HG13 VAL 16 22.203 11.087 25.558 672 HG21 VAL 16 HG21 VAL 16 25.040 12.082 25.952 673 HG22 VAL 16 HG22 VAL 16 24.600 13.804 25.907 674 HG23 VAL 16 HG23 VAL 16 23.539 12.639 26.716 675 H GLU 17 H GLU 17 24.227 10.446 22.165 676 HA GLU 17 HA GLU 17 22.339 11.295 20.039 677 HB2 GLU 17 HB2 GLU 17 24.891 9.704 19.594 678 HB3 GLU 17 HB3 GLU 17 23.617 9.949 18.391 679 HG2 GLU 17 HG2 GLU 17 24.005 12.361 18.418 680 HG3 GLU 17 HG3 GLU 17 25.264 12.178 19.648 681 H ILE 18 H ILE 18 20.996 9.668 19.221 682 HA ILE 18 HA ILE 18 21.037 6.986 20.536 683 HB ILE 18 HB ILE 18 18.471 8.556 20.094 684 HG12 ILE 18 HG12 ILE 18 18.485 8.213 22.779 685 HG13 ILE 18 HG13 ILE 18 20.219 8.359 22.548 686 HG21 ILE 18 HG21 ILE 18 17.437 6.735 21.337 687 HG22 ILE 18 HG22 ILE 18 18.250 6.109 19.911 688 HG23 ILE 18 HG23 ILE 18 19.016 5.923 21.510 689 HD11 ILE 18 HD11 ILE 18 18.060 10.357 21.719 690 HD12 ILE 18 HD12 ILE 18 19.232 10.536 23.045 691 HD13 ILE 18 HD13 ILE 18 19.797 10.570 21.373 692 H GLY 19 H GLY 19 21.357 5.551 18.950 693 HA2 GLY 19 HA2 GLY 19 20.681 6.153 16.154 694 HA3 GLY 19 HA3 GLY 19 21.601 4.786 16.754 695 H ASP 20 H ASP 20 19.704 4.579 14.764 696 HA ASP 20 HA ASP 20 17.981 3.354 14.029 697 HB2 ASP 20 HB2 ASP 20 18.425 1.474 16.368 698 HB3 ASP 20 HB3 ASP 20 17.819 1.113 14.760 699 H VAL 21 H VAL 21 16.868 5.526 15.235 700 HA VAL 21 HA VAL 21 14.909 4.695 17.221 701 HB VAL 21 HB VAL 21 14.002 6.936 17.043 702 HG11 VAL 21 HG11 VAL 21 15.755 6.360 18.651 703 HG12 VAL 21 HG12 VAL 21 17.006 6.791 17.460 704 HG13 VAL 21 HG13 VAL 21 15.919 8.035 18.101 705 HG21 VAL 21 HG21 VAL 21 14.582 7.499 14.695 706 HG22 VAL 21 HG22 VAL 21 15.121 8.711 15.860 707 HG23 VAL 21 HG23 VAL 21 16.297 7.582 15.166 708 H LEU 22 H LEU 22 12.828 4.251 17.039 709 HA LEU 22 HA LEU 22 11.597 3.897 14.350 710 HB2 LEU 22 HB2 LEU 22 10.712 3.044 17.130 711 HB3 LEU 22 HB3 LEU 22 9.810 2.738 15.650 712 HG LEU 22 HG LEU 22 12.575 1.613 16.245 713 HD11 LEU 22 HD11 LEU 22 11.368 -0.527 16.508 714 HD12 LEU 22 HD12 LEU 22 10.775 0.666 17.671 715 HD13 LEU 22 HD13 LEU 22 9.819 0.300 16.220 716 HD21 LEU 22 HD21 LEU 22 12.174 0.165 14.295 717 HD22 LEU 22 HD22 LEU 22 10.643 1.020 13.959 718 HD23 LEU 22 HD23 LEU 22 12.199 1.858 13.815 719 H GLU 23 H GLU 23 11.409 5.882 17.267 720 HA GLU 23 HA GLU 23 9.570 7.731 15.951 721 HB2 GLU 23 HB2 GLU 23 8.008 6.122 16.801 722 HB3 GLU 23 HB3 GLU 23 8.726 6.162 18.412 723 HG2 GLU 23 HG2 GLU 23 7.961 8.399 18.819 724 HG3 GLU 23 HG3 GLU 23 7.520 8.634 17.129 725 H VAL 24 H VAL 24 9.566 9.757 16.795 726 HA VAL 24 HA VAL 24 10.875 10.362 19.384 727 HB VAL 24 HB VAL 24 11.594 11.898 16.877 728 HG11 VAL 24 HG11 VAL 24 13.364 12.870 18.322 729 HG12 VAL 24 HG12 VAL 24 11.744 13.228 18.915 730 HG13 VAL 24 HG13 VAL 24 12.710 11.975 19.706 731 HG21 VAL 24 HG21 VAL 24 12.647 9.703 16.643 732 HG22 VAL 24 HG22 VAL 24 13.835 10.949 16.988 733 HG23 VAL 24 HG23 VAL 24 13.329 9.843 18.274 734 H ARG 25 H ARG 25 9.725 11.955 20.461 735 HA ARG 25 HA ARG 25 7.969 13.798 18.939 736 HB2 ARG 25 HB2 ARG 25 6.027 13.272 20.374 737 HB3 ARG 25 HB3 ARG 25 6.469 11.960 19.287 738 HG2 ARG 25 HG2 ARG 25 7.440 10.663 21.054 739 HG3 ARG 25 HG3 ARG 25 7.405 12.027 22.171 740 HD2 ARG 25 HD2 ARG 25 5.632 10.737 22.894 741 HD3 ARG 25 HD3 ARG 25 4.873 12.026 21.945 742 HE ARG 25 HE ARG 25 5.372 9.669 20.312 743 HH11 ARG 25 HH11 ARG 25 3.112 10.807 22.804 744 HH12 ARG 25 HH12 ARG 25 1.915 9.628 22.314 745 HH21 ARG 25 HH21 ARG 25 3.888 8.249 19.854 746 HH22 ARG 25 HH22 ARG 25 2.317 8.204 20.661 747 H ALA 26 H ALA 26 7.398 15.649 19.911 748 HA ALA 26 HA ALA 26 8.824 16.451 22.404 749 HB1 ALA 26 HB1 ALA 26 9.132 17.908 20.442 750 HB2 ALA 26 HB2 ALA 26 7.371 18.092 20.282 751 HB3 ALA 26 HB3 ALA 26 8.200 18.742 21.717 752 H GLU 27 H GLU 27 7.677 16.328 24.250 753 HA GLU 27 HA GLU 27 4.715 16.484 24.305 754 HB2 GLU 27 HB2 GLU 27 5.309 14.203 23.482 755 HB3 GLU 27 HB3 GLU 27 6.249 13.927 24.945 756 HG2 GLU 27 HG2 GLU 27 4.161 14.208 26.295 757 HG3 GLU 27 HG3 GLU 27 3.267 14.537 24.798 758 H GLY 28 H GLY 28 4.073 17.378 26.190 759 HA2 GLY 28 HA2 GLY 28 3.970 17.997 28.392 760 HA3 GLY 28 HA3 GLY 28 4.912 16.547 28.752 761 H GLY 29 H GLY 29 6.229 19.196 26.806 762 HA2 GLY 29 HA2 GLY 29 7.893 20.775 27.241 763 HA3 GLY 29 HA3 GLY 29 7.745 20.464 28.972 764 H ALA 30 H ALA 30 8.276 17.724 26.906 765 HA ALA 30 HA ALA 30 11.219 17.696 27.277 766 HB1 ALA 30 HB1 ALA 30 9.312 15.408 27.953 767 HB2 ALA 30 HB2 ALA 30 11.080 15.380 28.102 768 HB3 ALA 30 HB3 ALA 30 10.100 16.435 29.159 769 H VAL 31 H VAL 31 12.196 15.899 25.932 770 HA VAL 31 HA VAL 31 10.479 15.110 23.591 771 HB VAL 31 HB VAL 31 13.492 15.321 23.710 772 HG11 VAL 31 HG11 VAL 31 13.024 13.265 22.475 773 HG12 VAL 31 HG12 VAL 31 11.725 14.060 21.549 774 HG13 VAL 31 HG13 VAL 31 13.408 14.532 21.314 775 HG21 VAL 31 HG21 VAL 31 13.141 16.880 21.845 776 HG22 VAL 31 HG22 VAL 31 11.391 16.555 21.869 777 HG23 VAL 31 HG23 VAL 31 12.159 17.383 23.229 778 H ARG 32 H ARG 32 10.099 13.028 23.199 779 HA ARG 32 HA ARG 32 11.314 10.904 24.929 780 HB2 ARG 32 HB2 ARG 32 8.369 11.330 24.253 781 HB3 ARG 32 HB3 ARG 32 9.023 9.815 24.884 782 HG2 ARG 32 HG2 ARG 32 9.747 10.860 26.938 783 HG3 ARG 32 HG3 ARG 32 9.354 12.482 26.345 784 HD2 ARG 32 HD2 ARG 32 6.992 11.920 26.245 785 HD3 ARG 32 HD3 ARG 32 7.319 10.256 26.768 786 HE ARG 32 HE ARG 32 8.448 11.836 28.745 787 HH11 ARG 32 HH11 ARG 32 5.165 11.655 27.471 788 HH12 ARG 32 HH12 ARG 32 4.471 11.967 29.046 789 HH21 ARG 32 HH21 ARG 32 7.467 12.290 30.678 790 HH22 ARG 32 HH22 ARG 32 5.730 12.387 30.774 791 H VAL 33 H VAL 33 11.764 9.006 23.941 792 HA VAL 33 HA VAL 33 11.238 8.669 21.056 793 HB VAL 33 HB VAL 33 12.995 9.927 20.557 794 HG11 VAL 33 HG11 VAL 33 15.028 10.372 21.877 795 HG12 VAL 33 HG12 VAL 33 13.547 10.861 22.681 796 HG13 VAL 33 HG13 VAL 33 14.364 9.364 23.179 797 HG21 VAL 33 HG21 VAL 33 14.646 7.497 21.312 798 HG22 VAL 33 HG22 VAL 33 13.766 7.740 19.770 799 HG23 VAL 33 HG23 VAL 33 15.113 8.793 20.203 800 H THR 34 H THR 34 11.643 6.722 20.166 801 HA THR 34 HA THR 34 12.146 4.432 22.033 802 HB THR 34 HB THR 34 10.069 4.564 19.824 803 HG1 THR 34 HG1 THR 34 9.678 4.554 22.639 804 HG21 THR 34 HG21 THR 34 10.774 2.255 20.179 805 HG22 THR 34 HG22 THR 34 10.634 2.432 21.942 806 HG23 THR 34 HG23 THR 34 9.186 2.482 20.909 807 H THR 35 H THR 35 13.402 2.756 21.266 808 HA THR 35 HA THR 35 14.671 3.161 18.598 809 HB THR 35 HB THR 35 16.549 1.968 19.390 810 HG1 THR 35 HG1 THR 35 16.588 1.173 21.538 811 HG21 THR 35 HG21 THR 35 15.712 3.823 21.653 812 HG22 THR 35 HG22 THR 35 17.361 3.390 21.151 813 HG23 THR 35 HG23 THR 35 16.332 4.363 20.076 814 H LEU 36 H LEU 36 15.454 1.331 17.432 815 HA LEU 36 HA LEU 36 13.717 -0.621 16.545 816 HB2 LEU 36 HB2 LEU 36 15.798 0.161 15.492 817 HB3 LEU 36 HB3 LEU 36 16.752 -0.572 16.773 818 HG LEU 36 HG LEU 36 15.993 -2.844 15.998 819 HD11 LEU 36 HD11 LEU 36 14.999 -2.972 13.713 820 HD12 LEU 36 HD12 LEU 36 13.894 -2.182 14.855 821 HD13 LEU 36 HD13 LEU 36 14.839 -1.201 13.700 822 HD21 LEU 36 HD21 LEU 36 17.326 -1.097 13.882 823 HD22 LEU 36 HD22 LEU 36 18.139 -1.865 15.270 824 HD23 LEU 36 HD23 LEU 36 17.416 -2.864 13.998 825 H PHE 37 H PHE 37 15.826 -0.776 19.361 826 HA PHE 37 HA PHE 37 15.404 -3.645 19.827 827 HB2 PHE 37 HB2 PHE 37 16.924 -1.606 21.476 828 HB3 PHE 37 HB3 PHE 37 17.066 -3.356 21.573 829 HD1 PHE 37 HD1 PHE 37 18.349 -0.364 20.041 830 HD2 PHE 37 HD2 PHE 37 17.836 -4.594 19.360 831 HE1 PHE 37 HE1 PHE 37 20.022 -0.276 18.209 832 HE2 PHE 37 HE2 PHE 37 19.527 -4.506 17.555 833 HZ PHE 37 HZ PHE 37 20.626 -2.345 16.972 834 H ASP 38 H ASP 38 13.352 -1.241 20.238 835 HA ASP 38 HA ASP 38 11.607 -0.713 21.472 836 HB2 ASP 38 HB2 ASP 38 11.172 -3.181 21.121 837 HB3 ASP 38 HB3 ASP 38 11.727 -3.449 22.771 838 H GLU 39 H GLU 39 14.263 -0.074 22.541 839 HA GLU 39 HA GLU 39 13.702 0.262 25.431 840 HB2 GLU 39 HB2 GLU 39 16.007 -0.334 24.743 841 HB3 GLU 39 HB3 GLU 39 16.076 1.115 23.744 842 HG2 GLU 39 HG2 GLU 39 17.312 1.431 25.791 843 HG3 GLU 39 HG3 GLU 39 15.958 2.550 25.737 844 H GLU 40 H GLU 40 13.557 2.348 26.362 845 HA GLU 40 HA GLU 40 12.586 4.530 24.545 846 HB2 GLU 40 HB2 GLU 40 11.427 3.649 27.201 847 HB3 GLU 40 HB3 GLU 40 11.006 5.153 26.372 848 HG2 GLU 40 HG2 GLU 40 10.209 3.905 24.415 849 HG3 GLU 40 HG3 GLU 40 10.644 2.377 25.174 850 H HIS 41 H HIS 41 13.106 6.561 25.021 851 HA HIS 41 HA HIS 41 14.802 7.197 27.400 852 HB2 HIS 41 HB2 HIS 41 15.429 8.193 24.614 853 HB3 HIS 41 HB3 HIS 41 16.368 8.436 26.083 854 HD2 HIS 41 HD2 HIS 41 15.812 6.059 23.204 855 HE1 HIS 41 HE1 HIS 41 18.729 4.150 25.677 856 HE2 HIS 41 HE2 HIS 41 17.546 4.067 23.434 857 H ALA 42 H ALA 42 14.758 9.388 28.059 858 HA ALA 42 HA ALA 42 12.797 11.200 26.813 859 HB1 ALA 42 HB1 ALA 42 11.488 9.874 28.433 860 HB2 ALA 42 HB2 ALA 42 12.622 10.319 29.734 861 HB3 ALA 42 HB3 ALA 42 11.638 11.569 28.952 862 H PHE 43 H PHE 43 13.202 13.315 27.094 863 HA PHE 43 HA PHE 43 15.593 14.186 28.655 864 HB2 PHE 43 HB2 PHE 43 15.035 14.763 25.731 865 HB3 PHE 43 HB3 PHE 43 16.391 15.356 26.687 866 HD1 PHE 43 HD1 PHE 43 15.118 12.636 24.661 867 HD2 PHE 43 HD2 PHE 43 18.094 13.673 27.601 868 HE1 PHE 43 HE1 PHE 43 16.396 10.576 24.087 869 HE2 PHE 43 HE2 PHE 43 19.377 11.611 27.011 870 HZ PHE 43 HZ PHE 43 18.514 10.065 25.284 871 HA PRO 44 HA PRO 44 12.165 17.125 29.513 872 HB2 PRO 44 HB2 PRO 44 13.942 17.571 31.886 873 HB3 PRO 44 HB3 PRO 44 12.150 17.485 31.821 874 HG2 PRO 44 HG2 PRO 44 13.564 15.356 32.707 875 HG3 PRO 44 HG3 PRO 44 12.216 15.099 31.556 876 HD2 PRO 44 HD2 PRO 44 15.192 15.263 30.954 877 HD3 PRO 44 HD3 PRO 44 14.004 14.045 30.403 878 H GLY 45 H GLY 45 12.014 19.302 29.176 879 HA2 GLY 45 HA2 GLY 45 12.659 21.507 28.889 880 HA3 GLY 45 HA3 GLY 45 14.323 21.098 29.299 881 H LEU 46 H LEU 46 13.257 19.003 26.849 882 HA LEU 46 HA LEU 46 14.434 20.720 24.710 883 HB2 LEU 46 HB2 LEU 46 14.164 17.696 24.789 884 HB3 LEU 46 HB3 LEU 46 14.895 18.653 23.505 885 HG LEU 46 HG LEU 46 15.967 18.234 26.315 886 HD11 LEU 46 HD11 LEU 46 16.309 16.440 24.569 887 HD12 LEU 46 HD12 LEU 46 17.152 17.639 23.565 888 HD13 LEU 46 HD13 LEU 46 17.813 17.177 25.151 889 HD21 LEU 46 HD21 LEU 46 16.485 20.553 25.717 890 HD22 LEU 46 HD22 LEU 46 17.943 19.574 25.556 891 HD23 LEU 46 HD23 LEU 46 17.043 20.045 24.098 892 H ALA 47 H ALA 47 13.665 20.513 22.592 893 HA ALA 47 HA ALA 47 11.098 19.239 22.012 894 HB1 ALA 47 HB1 ALA 47 10.449 21.558 22.566 895 HB2 ALA 47 HB2 ALA 47 11.618 22.170 21.377 896 HB3 ALA 47 HB3 ALA 47 10.220 21.222 20.847 897 H ILE 48 H ILE 48 10.837 19.031 19.586 898 HA ILE 48 HA ILE 48 13.407 18.331 18.331 899 HB ILE 48 HB ILE 48 10.591 18.223 17.210 900 HG12 ILE 48 HG12 ILE 48 12.278 15.851 18.117 901 HG13 ILE 48 HG13 ILE 48 11.171 16.671 19.226 902 HG21 ILE 48 HG21 ILE 48 12.251 18.348 15.392 903 HG22 ILE 48 HG22 ILE 48 13.240 17.097 16.164 904 HG23 ILE 48 HG23 ILE 48 11.658 16.699 15.493 905 HD11 ILE 48 HD11 ILE 48 10.049 14.772 18.320 906 HD12 ILE 48 HD12 ILE 48 9.271 16.224 17.684 907 HD13 ILE 48 HD13 ILE 48 10.369 15.272 16.658 908 H GLY 49 H GLY 49 14.632 19.664 17.171 909 HA2 GLY 49 HA2 GLY 49 13.629 22.388 16.534 910 HA3 GLY 49 HA3 GLY 49 15.306 21.855 16.657 911 H ARG 50 H ARG 50 15.189 19.591 14.915 912 HA ARG 50 HA ARG 50 14.384 20.525 12.235 913 HB2 ARG 50 HB2 ARG 50 16.389 21.820 12.611 914 HB3 ARG 50 HB3 ARG 50 17.272 20.409 13.174 915 HG2 ARG 50 HG2 ARG 50 17.246 19.434 10.896 916 HG3 ARG 50 HG3 ARG 50 16.300 20.830 10.325 917 HD2 ARG 50 HD2 ARG 50 18.130 22.355 11.000 918 HD3 ARG 50 HD3 ARG 50 19.067 20.986 11.611 919 HE ARG 50 HE ARG 50 18.481 21.650 8.766 920 HH11 ARG 50 HH11 ARG 50 20.230 19.481 10.938 921 HH12 ARG 50 HH12 ARG 50 21.101 18.761 9.606 922 HH21 ARG 50 HH21 ARG 50 19.584 20.624 7.165 923 HH22 ARG 50 HH22 ARG 50 20.623 19.264 7.561 924 H VAL 51 H VAL 51 14.264 18.897 10.715 925 HA VAL 51 HA VAL 51 15.599 16.304 11.385 926 HB VAL 51 HB VAL 51 12.931 16.373 9.984 927 HG11 VAL 51 HG11 VAL 51 14.652 14.144 11.113 928 HG12 VAL 51 HG12 VAL 51 13.006 13.935 10.471 929 HG13 VAL 51 HG13 VAL 51 14.311 14.458 9.406 930 HG21 VAL 51 HG21 VAL 51 11.945 15.411 12.019 931 HG22 VAL 51 HG22 VAL 51 13.476 15.684 12.903 932 HG23 VAL 51 HG23 VAL 51 12.510 17.055 12.310 933 H ASP 52 H ASP 52 16.944 15.666 9.901 934 HA ASP 52 HA ASP 52 16.944 16.919 7.191 935 HB2 ASP 52 HB2 ASP 52 18.729 17.594 8.771 936 HB3 ASP 52 HB3 ASP 52 19.253 15.925 8.909 937 H LEU 53 H LEU 53 15.848 15.470 6.003 938 HA LEU 53 HA LEU 53 16.004 12.605 6.441 939 HB2 LEU 53 HB2 LEU 53 14.639 14.227 4.257 940 HB3 LEU 53 HB3 LEU 53 14.443 12.512 4.523 941 HG LEU 53 HG LEU 53 12.520 13.553 5.330 942 HD11 LEU 53 HD11 LEU 53 14.201 12.790 7.746 943 HD12 LEU 53 HD12 LEU 53 12.440 12.855 7.671 944 HD13 LEU 53 HD13 LEU 53 13.318 11.680 6.677 945 HD21 LEU 53 HD21 LEU 53 13.354 15.843 5.722 946 HD22 LEU 53 HD22 LEU 53 12.316 15.221 7.016 947 HD23 LEU 53 HD23 LEU 53 14.065 15.312 7.253 948 H ARG 54 H ARG 54 17.961 14.729 4.644 949 HA ARG 54 HA ARG 54 18.820 12.998 2.481 950 HB2 ARG 54 HB2 ARG 54 20.509 15.074 3.920 951 HB3 ARG 54 HB3 ARG 54 20.677 14.489 2.272 952 HG2 ARG 54 HG2 ARG 54 18.557 15.648 1.642 953 HG3 ARG 54 HG3 ARG 54 18.370 16.213 3.314 954 HD2 ARG 54 HD2 ARG 54 20.752 17.198 3.054 955 HD3 ARG 54 HD3 ARG 54 20.549 16.948 1.325 956 HE ARG 54 HE ARG 54 19.063 18.752 1.257 957 HH11 ARG 54 HH11 ARG 54 19.415 17.891 4.699 958 HH12 ARG 54 HH12 ARG 54 18.932 19.522 5.151 959 HH21 ARG 54 HH21 ARG 54 18.352 20.757 2.120 960 HH22 ARG 54 HH22 ARG 54 18.334 20.930 3.872 961 H SER 55 H SER 55 19.716 13.313 5.849 962 HA SER 55 HA SER 55 21.669 11.030 5.645 963 HB2 SER 55 HB2 SER 55 21.851 13.476 7.446 964 HB3 SER 55 HB3 SER 55 22.980 12.119 7.397 965 HG SER 55 HG SER 55 22.457 14.076 5.391 966 H GLY 56 H GLY 56 18.713 11.901 7.045 967 HA2 GLY 56 HA2 GLY 56 17.365 10.771 8.519 968 HA3 GLY 56 HA3 GLY 56 18.605 9.529 8.699 969 H VAL 57 H VAL 57 18.789 13.057 9.426 970 HA VAL 57 HA VAL 57 19.541 12.326 12.249 971 HB VAL 57 HB VAL 57 20.489 14.715 10.648 972 HG11 VAL 57 HG11 VAL 57 22.007 15.072 12.590 973 HG12 VAL 57 HG12 VAL 57 20.312 15.246 13.054 974 HG13 VAL 57 HG13 VAL 57 21.192 13.757 13.455 975 HG21 VAL 57 HG21 VAL 57 21.942 12.196 11.579 976 HG22 VAL 57 HG22 VAL 57 21.567 12.620 9.901 977 HG23 VAL 57 HG23 VAL 57 22.704 13.610 10.817 978 H ILE 58 H ILE 58 18.303 12.916 13.808 979 HA ILE 58 HA ILE 58 16.288 15.114 13.522 980 HB ILE 58 HB ILE 58 16.403 12.633 15.267 981 HG12 ILE 58 HG12 ILE 58 14.249 13.499 13.294 982 HG13 ILE 58 HG13 ILE 58 15.610 12.482 12.823 983 HG21 ILE 58 HG21 ILE 58 14.450 14.972 15.408 984 HG22 ILE 58 HG22 ILE 58 14.191 13.388 16.185 985 HG23 ILE 58 HG23 ILE 58 15.537 14.391 16.696 986 HD11 ILE 58 HD11 ILE 58 13.828 11.017 13.221 987 HD12 ILE 58 HD12 ILE 58 14.931 10.832 14.594 988 HD13 ILE 58 HD13 ILE 58 13.418 11.761 14.773 989 H SER 59 H SER 59 17.005 16.976 14.353 990 HA SER 59 HA SER 59 19.038 16.969 16.537 991 HB2 SER 59 HB2 SER 59 18.210 19.237 14.713 992 HB3 SER 59 HB3 SER 59 19.507 19.265 15.918 993 HG SER 59 HG SER 59 19.342 17.644 13.581 994 H LEU 60 H LEU 60 18.451 17.471 18.547 995 HA LEU 60 HA LEU 60 15.810 18.752 19.054 996 HB2 LEU 60 HB2 LEU 60 17.708 17.587 21.094 997 HB3 LEU 60 HB3 LEU 60 16.016 18.010 21.296 998 HG LEU 60 HG LEU 60 17.159 15.673 19.713 999 HD11 LEU 60 HD11 LEU 60 15.315 15.861 22.127 1000 HD12 LEU 60 HD12 LEU 60 15.811 14.350 21.336 1001 HD13 LEU 60 HD13 LEU 60 17.012 15.355 22.148 1002 HD21 LEU 60 HD21 LEU 60 14.254 16.583 19.896 1003 HD22 LEU 60 HD22 LEU 60 15.242 16.490 18.426 1004 HD23 LEU 60 HD23 LEU 60 14.788 15.011 19.273 1005 H ILE 61 H ILE 61 15.564 20.496 20.433 1006 HA ILE 61 HA ILE 61 17.906 22.205 21.092 1007 HB ILE 61 HB ILE 61 16.655 24.212 20.353 1008 HG12 ILE 61 HG12 ILE 61 14.950 23.771 18.437 1009 HG13 ILE 61 HG13 ILE 61 14.667 22.220 19.212 1010 HG21 ILE 61 HG21 ILE 61 17.233 22.256 18.100 1011 HG22 ILE 61 HG22 ILE 61 17.236 24.030 18.016 1012 HG23 ILE 61 HG23 ILE 61 18.441 23.199 19.003 1013 HD11 ILE 61 HD11 ILE 61 13.014 23.962 19.830 1014 HD12 ILE 61 HD12 ILE 61 13.888 23.386 21.248 1015 HD13 ILE 61 HD13 ILE 61 14.322 24.957 20.520 1016 H GLU 62 H GLU 62 17.387 23.864 22.778 1017 HA GLU 62 HA GLU 62 15.698 22.666 24.847 1018 HB2 GLU 62 HB2 GLU 62 17.204 25.298 24.851 1019 HB3 GLU 62 HB3 GLU 62 16.299 24.619 26.204 1020 HG2 GLU 62 HG2 GLU 62 17.801 22.526 25.966 1021 HG3 GLU 62 HG3 GLU 62 18.805 23.496 24.889 1022 H GLU 63 H GLU 63 13.712 23.238 25.521 1023 HA GLU 63 HA GLU 63 12.036 24.850 23.765 1024 HB2 GLU 63 HB2 GLU 63 10.209 24.089 25.084 1025 HB3 GLU 63 HB3 GLU 63 11.319 22.768 24.845 1026 HG2 GLU 63 HG2 GLU 63 10.969 22.378 27.023 1027 HG3 GLU 63 HG3 GLU 63 12.289 23.519 27.221 1028 H GLN 64 H GLN 64 13.922 25.591 26.527 1029 HA GLN 64 HA GLN 64 12.607 28.226 27.013 1030 HB2 GLN 64 HB2 GLN 64 14.832 26.721 28.416 1031 HB3 GLN 64 HB3 GLN 64 14.383 28.382 28.827 1032 HG2 GLN 64 HG2 GLN 64 12.358 27.764 29.781 1033 HG3 GLN 64 HG3 GLN 64 12.186 26.340 28.781 1034 HE21 GLN 64 HE21 GLN 64 11.914 24.715 30.275 1035 HE22 GLN 64 HE22 GLN 64 13.084 24.372 31.556 1036 H ASN 65 H ASN 65 13.679 30.148 26.746 1037 HA ASN 65 HA ASN 65 16.311 30.185 25.326 1038 HB2 ASN 65 HB2 ASN 65 13.883 31.945 24.769 1039 HB3 ASN 65 HB3 ASN 65 15.497 32.201 24.103 1040 HD21 ASN 65 HD21 ASN 65 15.364 28.893 23.933 1041 HD22 ASN 65 HD22 ASN 65 14.642 28.791 22.334 1042 H ARG 66 H ARG 66 16.080 30.142 28.037 1043 HA ARG 66 HA ARG 66 16.057 32.646 29.394 1044 HB2 ARG 66 HB2 ARG 66 17.045 31.439 31.262 1045 HB3 ARG 66 HB3 ARG 66 15.761 30.486 30.514 1046 HG2 ARG 66 HG2 ARG 66 17.520 29.169 29.282 1047 HG3 ARG 66 HG3 ARG 66 18.765 30.088 30.150 1048 HD2 ARG 66 HD2 ARG 66 17.917 29.236 32.292 1049 HD3 ARG 66 HD3 ARG 66 16.650 28.318 31.459 1050 HE ARG 66 HE ARG 66 19.549 27.720 31.569 1051 HH11 ARG 66 HH11 ARG 66 16.471 26.620 30.229 1052 HH12 ARG 66 HH12 ARG 66 17.326 25.462 29.189 1053 HH21 ARG 66 HH21 ARG 66 20.397 26.009 30.360 1054 HH22 ARG 66 HH22 ARG 66 19.290 25.119 29.309 Start of MODEL 10 1 H1 GLY -3 H1 GLY -3 25.973 12.390 -8.253 2 H2 GLY -3 H2 GLY -3 26.226 10.762 -8.117 3 H3 GLY -3 H3 GLY -3 26.872 11.774 -7.017 4 HA2 GLY -3 HA2 GLY -3 24.671 12.393 -6.233 5 HA3 GLY -3 HA3 GLY -3 23.995 11.257 -7.413 6 HA PRO -2 HA PRO -2 25.155 9.168 -3.267 7 HB2 PRO -2 HB2 PRO -2 22.695 8.895 -2.084 8 HB3 PRO -2 HB3 PRO -2 23.727 10.345 -1.888 9 HG2 PRO -2 HG2 PRO -2 21.425 9.934 -3.838 10 HG3 PRO -2 HG3 PRO -2 21.695 11.325 -2.747 11 HD2 PRO -2 HD2 PRO -2 22.443 11.432 -5.351 12 HD3 PRO -2 HD3 PRO -2 23.471 12.157 -4.089 13 H GLY -1 H GLY -1 24.953 6.931 -2.904 14 HA2 GLY -1 HA2 GLY -1 24.022 5.293 -5.117 15 HA3 GLY -1 HA3 GLY -1 24.699 4.733 -3.590 16 H SER 0 H SER 0 22.619 6.202 -1.999 17 HA SER 0 HA SER 0 19.989 5.264 -2.797 18 HB2 SER 0 HB2 SER 0 20.942 3.170 -1.854 19 HB3 SER 0 HB3 SER 0 21.307 4.024 -0.341 20 HG SER 0 HG SER 0 19.301 2.827 -0.330 21 H MET 1 H MET 1 18.341 6.297 -1.632 22 HA MET 1 HA MET 1 18.815 7.775 0.825 23 HB2 MET 1 HB2 MET 1 18.239 9.977 -0.001 24 HB3 MET 1 HB3 MET 1 19.717 9.420 -0.762 25 HG2 MET 1 HG2 MET 1 18.548 8.879 -2.812 26 HG3 MET 1 HG3 MET 1 16.986 9.262 -2.090 27 HE1 MET 1 HE1 MET 1 16.899 13.105 -1.879 28 HE2 MET 1 HE2 MET 1 16.022 11.576 -1.705 29 HE3 MET 1 HE3 MET 1 17.309 11.992 -0.553 30 H CYS 2 H CYS 2 16.828 8.812 1.615 31 HA CYS 2 HA CYS 2 14.285 8.157 0.323 32 HB2 CYS 2 HB2 CYS 2 13.322 7.075 2.288 33 HB3 CYS 2 HB3 CYS 2 14.685 6.145 1.667 34 HG CYS 2 HG CYS 2 16.464 6.938 3.363 35 H MET 3 H MET 3 12.433 9.214 1.512 36 HA MET 3 HA MET 3 13.208 11.814 2.758 37 HB2 MET 3 HB2 MET 3 11.670 11.343 0.176 38 HB3 MET 3 HB3 MET 3 11.469 12.825 1.105 39 HG2 MET 3 HG2 MET 3 13.822 13.349 0.967 40 HG3 MET 3 HG3 MET 3 14.171 11.845 0.110 41 HE1 MET 3 HE1 MET 3 11.995 11.444 -2.074 42 HE2 MET 3 HE2 MET 3 12.793 12.299 -3.401 43 HE3 MET 3 HE3 MET 3 13.760 11.330 -2.283 44 H ALA 4 H ALA 4 11.437 13.031 3.587 45 HA ALA 4 HA ALA 4 9.509 11.297 5.017 46 HB1 ALA 4 HB1 ALA 4 9.264 13.336 6.448 47 HB2 ALA 4 HB2 ALA 4 10.940 12.801 6.311 48 HB3 ALA 4 HB3 ALA 4 10.375 14.208 5.379 49 H LYS 5 H LYS 5 7.412 12.435 5.530 50 HA LYS 5 HA LYS 5 6.349 14.277 3.485 51 HB2 LYS 5 HB2 LYS 5 4.193 13.108 3.364 52 HB3 LYS 5 HB3 LYS 5 5.539 12.213 2.664 53 HG2 LYS 5 HG2 LYS 5 5.654 10.807 4.747 54 HG3 LYS 5 HG3 LYS 5 4.206 11.639 5.347 55 HD2 LYS 5 HD2 LYS 5 2.933 10.851 3.381 56 HD3 LYS 5 HD3 LYS 5 4.385 10.067 2.730 57 HE2 LYS 5 HE2 LYS 5 4.529 8.652 4.770 58 HE3 LYS 5 HE3 LYS 5 3.050 9.390 5.383 59 HZ1 LYS 5 HZ1 LYS 5 2.590 7.279 4.257 60 HZ2 LYS 5 HZ2 LYS 5 1.879 8.508 3.446 61 HZ3 LYS 5 HZ3 LYS 5 3.241 7.833 2.863 62 H VAL 6 H VAL 6 5.248 15.923 4.305 63 HA VAL 6 HA VAL 6 5.121 16.085 7.292 64 HB VAL 6 HB VAL 6 5.464 18.198 5.182 65 HG11 VAL 6 HG11 VAL 6 5.560 19.866 7.027 66 HG12 VAL 6 HG12 VAL 6 3.935 19.232 6.774 67 HG13 VAL 6 HG13 VAL 6 4.903 18.644 8.146 68 HG21 VAL 6 HG21 VAL 6 7.449 16.862 6.101 69 HG22 VAL 6 HG22 VAL 6 7.538 18.627 6.280 70 HG23 VAL 6 HG23 VAL 6 7.103 17.611 7.665 71 H VAL 7 H VAL 7 3.300 16.603 8.380 72 HA VAL 7 HA VAL 7 0.896 17.484 6.907 73 HB VAL 7 HB VAL 7 0.631 15.080 7.122 74 HG11 VAL 7 HG11 VAL 7 1.999 14.612 9.115 75 HG12 VAL 7 HG12 VAL 7 0.798 15.426 10.141 76 HG13 VAL 7 HG13 VAL 7 0.373 13.941 9.266 77 HG21 VAL 7 HG21 VAL 7 -1.548 14.974 8.112 78 HG22 VAL 7 HG22 VAL 7 -1.259 16.431 9.088 79 HG23 VAL 7 HG23 VAL 7 -1.379 16.541 7.320 80 H LEU 8 H LEU 8 -0.459 18.835 7.981 81 HA LEU 8 HA LEU 8 -0.174 19.421 10.827 82 HB2 LEU 8 HB2 LEU 8 0.324 21.748 10.631 83 HB3 LEU 8 HB3 LEU 8 1.598 20.781 9.936 84 HG LEU 8 HG LEU 8 1.359 22.809 8.722 85 HD11 LEU 8 HD11 LEU 8 0.383 20.605 6.943 86 HD12 LEU 8 HD12 LEU 8 1.262 22.080 6.488 87 HD13 LEU 8 HD13 LEU 8 2.055 20.860 7.478 88 HD21 LEU 8 HD21 LEU 8 -1.505 22.180 8.022 89 HD22 LEU 8 HD22 LEU 8 -0.959 23.356 9.227 90 HD23 LEU 8 HD23 LEU 8 -0.535 23.567 7.527 91 H THR 9 H THR 9 -1.761 20.921 11.630 92 HA THR 9 HA THR 9 -4.257 21.128 9.985 93 HB THR 9 HB THR 9 -4.166 20.976 13.006 94 HG1 THR 9 HG1 THR 9 -3.552 19.000 12.173 95 HG21 THR 9 HG21 THR 9 -6.581 20.490 12.755 96 HG22 THR 9 HG22 THR 9 -6.180 22.079 12.085 97 HG23 THR 9 HG23 THR 9 -6.440 20.701 10.996 98 H LYS 10 H LYS 10 -4.973 23.106 9.615 99 HA LYS 10 HA LYS 10 -3.453 25.454 10.528 100 HB2 LYS 10 HB2 LYS 10 -5.876 25.170 8.705 101 HB3 LYS 10 HB3 LYS 10 -4.967 26.661 8.973 102 HG2 LYS 10 HG2 LYS 10 -2.892 25.436 8.116 103 HG3 LYS 10 HG3 LYS 10 -3.961 24.126 7.605 104 HD2 LYS 10 HD2 LYS 10 -4.189 27.052 6.748 105 HD3 LYS 10 HD3 LYS 10 -3.408 25.795 5.792 106 HE2 LYS 10 HE2 LYS 10 -5.443 24.676 5.342 107 HE3 LYS 10 HE3 LYS 10 -6.293 25.478 6.675 108 HZ1 LYS 10 HZ1 LYS 10 -5.334 26.925 4.272 109 HZ2 LYS 10 HZ2 LYS 10 -6.874 26.403 4.480 110 HZ3 LYS 10 HZ3 LYS 10 -6.261 27.522 5.505 111 H ALA 11 H ALA 11 -4.437 27.380 11.369 112 HA ALA 11 HA ALA 11 -6.357 27.126 13.491 113 HB1 ALA 11 HB1 ALA 11 -5.439 29.574 11.919 114 HB2 ALA 11 HB2 ALA 11 -6.283 29.585 13.482 115 HB3 ALA 11 HB3 ALA 11 -4.653 28.902 13.370 116 H ASP 12 H ASP 12 -6.750 27.517 10.040 117 HA ASP 12 HA ASP 12 -9.511 28.354 9.976 118 HB2 ASP 12 HB2 ASP 12 -7.981 26.652 7.970 119 HB3 ASP 12 HB3 ASP 12 -9.458 27.562 7.655 120 H GLY 13 H GLY 13 -8.170 25.405 11.079 121 HA2 GLY 13 HA2 GLY 13 -9.201 23.467 11.827 122 HA3 GLY 13 HA3 GLY 13 -10.719 23.948 11.064 123 H GLY 14 H GLY 14 -8.714 24.361 8.561 124 HA2 GLY 14 HA2 GLY 14 -9.144 21.729 7.330 125 HA3 GLY 14 HA3 GLY 14 -8.381 23.136 6.588 126 H ARG 15 H ARG 15 -7.265 20.765 6.062 127 HA ARG 15 HA ARG 15 -4.725 20.716 7.646 128 HB2 ARG 15 HB2 ARG 15 -6.422 18.376 6.701 129 HB3 ARG 15 HB3 ARG 15 -4.689 18.217 7.035 130 HG2 ARG 15 HG2 ARG 15 -5.024 19.103 9.313 131 HG3 ARG 15 HG3 ARG 15 -6.764 19.220 9.025 132 HD2 ARG 15 HD2 ARG 15 -6.997 16.853 8.835 133 HD3 ARG 15 HD3 ARG 15 -5.239 16.608 8.784 134 HE ARG 15 HE ARG 15 -5.570 17.913 11.160 135 HH11 ARG 15 HH11 ARG 15 -7.031 14.938 9.980 136 HH12 ARG 15 HH12 ARG 15 -7.175 14.286 11.599 137 HH21 ARG 15 HH21 ARG 15 -5.829 17.059 13.130 138 HH22 ARG 15 HH22 ARG 15 -6.531 15.468 13.341 139 H VAL 16 H VAL 16 -2.894 20.034 6.650 140 HA VAL 16 HA VAL 16 -2.702 20.396 3.674 141 HB VAL 16 HB VAL 16 -1.161 21.753 5.873 142 HG11 VAL 16 HG11 VAL 16 0.547 21.087 4.306 143 HG12 VAL 16 HG12 VAL 16 -0.405 21.749 2.941 144 HG13 VAL 16 HG13 VAL 16 0.272 22.814 4.205 145 HG21 VAL 16 HG21 VAL 16 -1.767 23.833 4.749 146 HG22 VAL 16 HG22 VAL 16 -2.690 22.910 3.538 147 HG23 VAL 16 HG23 VAL 16 -3.192 22.919 5.248 148 H GLU 17 H GLU 17 -1.184 19.120 2.672 149 HA GLU 17 HA GLU 17 0.630 17.425 4.298 150 HB2 GLU 17 HB2 GLU 17 -1.269 16.397 2.168 151 HB3 GLU 17 HB3 GLU 17 0.103 15.489 2.816 152 HG2 GLU 17 HG2 GLU 17 -0.871 15.686 5.105 153 HG3 GLU 17 HG3 GLU 17 -2.301 16.460 4.422 154 H ILE 18 H ILE 18 2.579 16.917 3.321 155 HA ILE 18 HA ILE 18 3.120 17.958 0.564 156 HB ILE 18 HB ILE 18 4.911 18.392 2.973 157 HG12 ILE 18 HG12 ILE 18 3.364 20.570 1.504 158 HG13 ILE 18 HG13 ILE 18 2.808 19.848 3.014 159 HG21 ILE 18 HG21 ILE 18 6.118 18.150 0.803 160 HG22 ILE 18 HG22 ILE 18 5.141 19.465 0.129 161 HG23 ILE 18 HG23 ILE 18 6.275 19.770 1.457 162 HD11 ILE 18 HD11 ILE 18 5.397 21.392 2.709 163 HD12 ILE 18 HD12 ILE 18 3.907 21.881 3.531 164 HD13 ILE 18 HD13 ILE 18 4.852 20.528 4.174 165 H GLY 19 H GLY 19 4.079 16.453 -0.681 166 HA2 GLY 19 HA2 GLY 19 5.300 14.016 0.528 167 HA3 GLY 19 HA3 GLY 19 4.789 14.223 -1.144 168 H ASP 20 H ASP 20 7.242 13.142 -0.433 169 HA ASP 20 HA ASP 20 9.476 13.231 -0.692 170 HB2 ASP 20 HB2 ASP 20 9.026 15.172 -2.969 171 HB3 ASP 20 HB3 ASP 20 10.320 14.016 -2.755 172 H VAL 21 H VAL 21 8.925 14.641 1.460 173 HA VAL 21 HA VAL 21 10.152 17.311 1.435 174 HB VAL 21 HB VAL 21 9.150 15.549 3.703 175 HG11 VAL 21 HG11 VAL 21 10.407 18.317 3.784 176 HG12 VAL 21 HG12 VAL 21 9.468 17.597 5.105 177 HG13 VAL 21 HG13 VAL 21 10.983 16.858 4.621 178 HG21 VAL 21 HG21 VAL 21 7.428 17.341 3.835 179 HG22 VAL 21 HG22 VAL 21 8.168 18.146 2.438 180 HG23 VAL 21 HG23 VAL 21 7.421 16.543 2.256 181 H LEU 22 H LEU 22 12.187 17.709 1.477 182 HA LEU 22 HA LEU 22 14.134 15.544 1.963 183 HB2 LEU 22 HB2 LEU 22 13.965 16.732 -0.239 184 HB3 LEU 22 HB3 LEU 22 14.403 18.236 0.570 185 HG LEU 22 HG LEU 22 16.629 17.315 1.113 186 HD11 LEU 22 HD11 LEU 22 15.649 14.838 -0.382 187 HD12 LEU 22 HD12 LEU 22 17.343 15.160 0.025 188 HD13 LEU 22 HD13 LEU 22 16.160 14.922 1.319 189 HD21 LEU 22 HD21 LEU 22 17.524 17.268 -1.153 190 HD22 LEU 22 HD22 LEU 22 15.907 16.914 -1.810 191 HD23 LEU 22 HD23 LEU 22 16.231 18.480 -1.046 192 H GLU 23 H GLU 23 13.074 18.614 3.389 193 HA GLU 23 HA GLU 23 14.653 17.999 5.749 194 HB2 GLU 23 HB2 GLU 23 16.308 19.190 4.273 195 HB3 GLU 23 HB3 GLU 23 15.259 20.611 4.268 196 HG2 GLU 23 HG2 GLU 23 15.676 21.088 6.540 197 HG3 GLU 23 HG3 GLU 23 16.158 19.430 6.901 198 H VAL 24 H VAL 24 13.915 19.114 7.610 199 HA VAL 24 HA VAL 24 12.032 21.379 7.261 200 HB VAL 24 HB VAL 24 10.650 20.702 9.170 201 HG11 VAL 24 HG11 VAL 24 9.223 19.137 8.019 202 HG12 VAL 24 HG12 VAL 24 9.889 20.316 6.880 203 HG13 VAL 24 HG13 VAL 24 10.532 18.652 6.941 204 HG21 VAL 24 HG21 VAL 24 12.204 19.033 10.218 205 HG22 VAL 24 HG22 VAL 24 10.560 18.420 9.977 206 HG23 VAL 24 HG23 VAL 24 11.857 17.950 8.848 207 H ARG 25 H ARG 25 12.033 22.897 8.873 208 HA ARG 25 HA ARG 25 13.973 22.665 11.129 209 HB2 ARG 25 HB2 ARG 25 13.931 25.016 9.198 210 HB3 ARG 25 HB3 ARG 25 14.897 24.881 10.668 211 HG2 ARG 25 HG2 ARG 25 16.084 22.894 9.643 212 HG3 ARG 25 HG3 ARG 25 15.189 23.202 8.136 213 HD2 ARG 25 HD2 ARG 25 16.127 25.503 8.073 214 HD3 ARG 25 HD3 ARG 25 17.072 25.136 9.532 215 HE ARG 25 HE ARG 25 17.542 23.187 7.425 216 HH11 ARG 25 HH11 ARG 25 19.279 23.114 6.305 217 HH12 ARG 25 HH12 ARG 25 20.473 24.415 6.271 218 HH21 ARG 25 HH21 ARG 25 18.576 26.418 8.376 219 HH22 ARG 25 HH22 ARG 25 20.039 26.280 7.427 220 H ALA 26 H ALA 26 13.339 23.650 12.961 221 HA ALA 26 HA ALA 26 10.837 25.240 13.016 222 HB1 ALA 26 HB1 ALA 26 11.062 23.422 14.665 223 HB2 ALA 26 HB2 ALA 26 12.565 24.149 15.265 224 HB3 ALA 26 HB3 ALA 26 11.032 25.017 15.451 225 H GLU 27 H GLU 27 10.812 27.351 13.466 226 HA GLU 27 HA GLU 27 13.301 28.855 14.144 227 HB2 GLU 27 HB2 GLU 27 11.211 29.397 12.031 228 HB3 GLU 27 HB3 GLU 27 11.873 30.767 12.905 229 HG2 GLU 27 HG2 GLU 27 14.160 30.126 12.356 230 HG3 GLU 27 HG3 GLU 27 13.578 28.697 11.483 231 H GLY 28 H GLY 28 12.642 31.065 15.035 232 HA2 GLY 28 HA2 GLY 28 11.302 30.682 17.535 233 HA3 GLY 28 HA3 GLY 28 11.987 32.180 16.899 234 H GLY 29 H GLY 29 9.279 30.148 15.775 235 HA2 GLY 29 HA2 GLY 29 6.996 31.281 16.496 236 HA3 GLY 29 HA3 GLY 29 7.541 32.516 15.358 237 H ALA 30 H ALA 30 8.628 29.591 14.083 238 HA ALA 30 HA ALA 30 6.167 28.827 12.683 239 HB1 ALA 30 HB1 ALA 30 8.475 30.182 11.204 240 HB2 ALA 30 HB2 ALA 30 7.012 29.495 10.463 241 HB3 ALA 30 HB3 ALA 30 6.895 30.925 11.518 242 H VAL 31 H VAL 31 6.441 27.089 11.180 243 HA VAL 31 HA VAL 31 9.069 25.612 11.295 244 HB VAL 31 HB VAL 31 6.304 24.539 10.628 245 HG11 VAL 31 HG11 VAL 31 9.036 23.181 10.448 246 HG12 VAL 31 HG12 VAL 31 7.493 22.317 10.446 247 HG13 VAL 31 HG13 VAL 31 7.867 23.417 9.118 248 HG21 VAL 31 HG21 VAL 31 6.853 24.784 13.028 249 HG22 VAL 31 HG22 VAL 31 6.723 23.087 12.564 250 HG23 VAL 31 HG23 VAL 31 8.327 23.821 12.800 251 H ARG 32 H ARG 32 10.147 25.174 9.450 252 HA ARG 32 HA ARG 32 9.030 26.062 6.820 253 HB2 ARG 32 HB2 ARG 32 11.886 26.229 7.864 254 HB3 ARG 32 HB3 ARG 32 11.451 26.397 6.158 255 HG2 ARG 32 HG2 ARG 32 10.091 28.368 6.624 256 HG3 ARG 32 HG3 ARG 32 10.295 28.156 8.367 257 HD2 ARG 32 HD2 ARG 32 11.787 29.896 7.665 258 HD3 ARG 32 HD3 ARG 32 12.729 28.484 8.147 259 HE ARG 32 HE ARG 32 12.283 28.452 5.294 260 HH11 ARG 32 HH11 ARG 32 14.234 30.143 7.704 261 HH12 ARG 32 HH12 ARG 32 15.441 30.566 6.518 262 HH21 ARG 32 HH21 ARG 32 13.875 28.960 3.891 263 HH22 ARG 32 HH22 ARG 32 15.259 29.911 4.419 264 H VAL 33 H VAL 33 9.406 24.789 5.087 265 HA VAL 33 HA VAL 33 10.517 22.038 5.466 266 HB VAL 33 HB VAL 33 8.065 22.665 3.817 267 HG11 VAL 33 HG11 VAL 33 9.176 20.630 3.146 268 HG12 VAL 33 HG12 VAL 33 9.139 20.034 4.817 269 HG13 VAL 33 HG13 VAL 33 7.630 20.254 3.918 270 HG21 VAL 33 HG21 VAL 33 7.352 23.141 6.110 271 HG22 VAL 33 HG22 VAL 33 6.653 21.618 5.578 272 HG23 VAL 33 HG23 VAL 33 8.051 21.611 6.677 273 H THR 34 H THR 34 11.702 21.283 3.759 274 HA THR 34 HA THR 34 11.758 22.848 1.191 275 HB THR 34 HB THR 34 14.080 21.421 2.522 276 HG1 THR 34 HG1 THR 34 13.608 23.387 3.480 277 HG21 THR 34 HG21 THR 34 15.418 22.502 0.698 278 HG22 THR 34 HG22 THR 34 14.297 21.284 0.080 279 HG23 THR 34 HG23 THR 34 13.911 23.013 -0.082 280 H THR 35 H THR 35 11.071 21.693 -0.493 281 HA THR 35 HA THR 35 10.729 18.758 -0.285 282 HB THR 35 HB THR 35 9.534 18.905 -2.374 283 HG1 THR 35 HG1 THR 35 9.998 21.683 -2.323 284 HG21 THR 35 HG21 THR 35 8.599 21.154 -0.547 285 HG22 THR 35 HG22 THR 35 7.626 20.257 -1.728 286 HG23 THR 35 HG23 THR 35 8.274 19.421 -0.309 287 H LEU 36 H LEU 36 11.271 17.379 -2.106 288 HA LEU 36 HA LEU 36 13.854 17.213 -3.076 289 HB2 LEU 36 HB2 LEU 36 12.068 15.494 -3.186 290 HB3 LEU 36 HB3 LEU 36 11.182 16.468 -4.348 291 HG LEU 36 HG LEU 36 13.075 16.158 -5.996 292 HD11 LEU 36 HD11 LEU 36 14.664 14.319 -5.524 293 HD12 LEU 36 HD12 LEU 36 14.900 15.661 -4.398 294 HD13 LEU 36 HD13 LEU 36 14.038 14.207 -3.867 295 HD21 LEU 36 HD21 LEU 36 11.771 13.643 -4.879 296 HD22 LEU 36 HD22 LEU 36 11.080 14.756 -6.080 297 HD23 LEU 36 HD23 LEU 36 12.520 13.798 -6.485 298 H PHE 37 H PHE 37 11.252 19.218 -4.367 299 HA PHE 37 HA PHE 37 12.553 19.751 -6.917 300 HB2 PHE 37 HB2 PHE 37 10.058 21.017 -5.767 301 HB3 PHE 37 HB3 PHE 37 10.502 20.868 -7.464 302 HD1 PHE 37 HD1 PHE 37 10.807 18.412 -8.386 303 HD2 PHE 37 HD2 PHE 37 8.659 19.378 -4.780 304 HE1 PHE 37 HE1 PHE 37 9.706 16.185 -8.448 305 HE2 PHE 37 HE2 PHE 37 7.572 17.125 -4.834 306 HZ PHE 37 HZ PHE 37 8.104 15.534 -6.660 307 H ASP 38 H ASP 38 13.411 20.885 -4.061 308 HA ASP 38 HA ASP 38 14.325 22.684 -3.112 309 HB2 ASP 38 HB2 ASP 38 14.719 23.866 -5.874 310 HB3 ASP 38 HB3 ASP 38 15.550 24.329 -4.392 311 H GLU 39 H GLU 39 11.344 22.730 -4.048 312 HA GLU 39 HA GLU 39 10.658 25.577 -3.664 313 HB2 GLU 39 HB2 GLU 39 9.248 24.152 -5.089 314 HB3 GLU 39 HB3 GLU 39 8.923 23.080 -3.733 315 HG2 GLU 39 HG2 GLU 39 7.794 24.924 -2.516 316 HG3 GLU 39 HG3 GLU 39 8.208 26.034 -3.827 317 H GLU 40 H GLU 40 10.278 26.545 -1.759 318 HA GLU 40 HA GLU 40 10.327 24.927 0.737 319 HB2 GLU 40 HB2 GLU 40 10.813 27.884 0.280 320 HB3 GLU 40 HB3 GLU 40 10.644 27.129 1.871 321 HG2 GLU 40 HG2 GLU 40 12.558 25.616 1.334 322 HG3 GLU 40 HG3 GLU 40 12.785 26.471 -0.192 323 H HIS 41 H HIS 41 8.851 25.167 2.331 324 HA HIS 41 HA HIS 41 6.394 26.794 1.886 325 HB2 HIS 41 HB2 HIS 41 6.404 23.938 2.914 326 HB3 HIS 41 HB3 HIS 41 5.014 25.000 2.844 327 HD2 HIS 41 HD2 HIS 41 7.124 22.682 0.689 328 HE1 HIS 41 HE1 HIS 41 4.223 24.379 -1.944 329 HE2 HIS 41 HE2 HIS 41 6.060 22.634 -1.730 330 H ALA 42 H ALA 42 5.393 27.534 3.835 331 HA ALA 42 HA ALA 42 6.943 27.214 6.336 332 HB1 ALA 42 HB1 ALA 42 7.045 29.642 6.657 333 HB2 ALA 42 HB2 ALA 42 7.907 29.168 5.173 334 HB3 ALA 42 HB3 ALA 42 6.288 29.911 5.077 335 H PHE 43 H PHE 43 5.848 27.422 8.182 336 HA PHE 43 HA PHE 43 2.906 27.966 8.128 337 HB2 PHE 43 HB2 PHE 43 4.258 25.543 9.334 338 HB3 PHE 43 HB3 PHE 43 2.540 25.957 9.406 339 HD1 PHE 43 HD1 PHE 43 1.171 26.060 7.282 340 HD2 PHE 43 HD2 PHE 43 5.164 24.432 7.389 341 HE1 PHE 43 HE1 PHE 43 0.822 25.054 5.044 342 HE2 PHE 43 HE2 PHE 43 4.813 23.413 5.163 343 HZ PHE 43 HZ PHE 43 2.638 23.746 3.977 344 HA PRO 44 HA PRO 44 4.713 30.232 11.702 345 HB2 PRO 44 HB2 PRO 44 2.930 32.303 11.747 346 HB3 PRO 44 HB3 PRO 44 4.374 32.239 10.683 347 HG2 PRO 44 HG2 PRO 44 1.517 31.533 9.975 348 HG3 PRO 44 HG3 PRO 44 2.695 32.510 9.029 349 HD2 PRO 44 HD2 PRO 44 2.217 29.891 8.509 350 HD3 PRO 44 HD3 PRO 44 3.837 30.608 8.302 351 H GLY 45 H GLY 45 4.103 30.278 13.793 352 HA2 GLY 45 HA2 GLY 45 2.806 29.972 15.712 353 HA3 GLY 45 HA3 GLY 45 1.399 29.597 14.728 354 H LEU 46 H LEU 46 3.914 27.651 13.613 355 HA LEU 46 HA LEU 46 3.107 25.376 15.361 356 HB2 LEU 46 HB2 LEU 46 4.211 25.276 12.538 357 HB3 LEU 46 HB3 LEU 46 3.693 23.911 13.507 358 HG LEU 46 HG LEU 46 1.927 26.095 12.325 359 HD11 LEU 46 HD11 LEU 46 1.914 23.078 11.900 360 HD12 LEU 46 HD12 LEU 46 1.030 24.315 10.973 361 HD13 LEU 46 HD13 LEU 46 2.794 24.193 10.855 362 HD21 LEU 46 HD21 LEU 46 1.132 23.737 14.106 363 HD22 LEU 46 HD22 LEU 46 0.912 25.469 14.478 364 HD23 LEU 46 HD23 LEU 46 0.006 24.720 13.164 365 H ALA 47 H ALA 47 4.626 23.709 15.690 366 HA ALA 47 HA ALA 47 7.508 24.160 15.222 367 HB1 ALA 47 HB1 ALA 47 8.060 23.329 17.485 368 HB2 ALA 47 HB2 ALA 47 7.190 24.862 17.552 369 HB3 ALA 47 HB3 ALA 47 6.339 23.342 17.914 370 H ILE 48 H ILE 48 8.698 22.039 15.266 371 HA ILE 48 HA ILE 48 7.177 19.888 14.014 372 HB ILE 48 HB ILE 48 10.030 19.936 15.026 373 HG12 ILE 48 HG12 ILE 48 9.228 19.975 12.096 374 HG13 ILE 48 HG13 ILE 48 9.295 21.487 12.996 375 HG21 ILE 48 HG21 ILE 48 8.552 17.923 13.245 376 HG22 ILE 48 HG22 ILE 48 10.293 17.913 13.521 377 HG23 ILE 48 HG23 ILE 48 9.195 17.611 14.870 378 HD11 ILE 48 HD11 ILE 48 11.393 21.118 11.819 379 HD12 ILE 48 HD12 ILE 48 11.658 21.089 13.579 380 HD13 ILE 48 HD13 ILE 48 11.628 19.571 12.650 381 H GLY 49 H GLY 49 6.006 18.372 15.036 382 HA2 GLY 49 HA2 GLY 49 6.054 18.321 18.009 383 HA3 GLY 49 HA3 GLY 49 4.704 17.973 16.942 384 H ARG 50 H ARG 50 5.847 16.046 15.220 385 HA ARG 50 HA ARG 50 6.965 13.874 16.876 386 HB2 ARG 50 HB2 ARG 50 4.641 13.642 17.417 387 HB3 ARG 50 HB3 ARG 50 4.150 13.834 15.737 388 HG2 ARG 50 HG2 ARG 50 5.102 11.675 15.144 389 HG3 ARG 50 HG3 ARG 50 5.731 11.451 16.789 390 HD2 ARG 50 HD2 ARG 50 3.494 11.314 17.707 391 HD3 ARG 50 HD3 ARG 50 2.774 11.842 16.170 392 HE ARG 50 HE ARG 50 4.063 9.638 15.335 393 HH11 ARG 50 HH11 ARG 50 1.821 9.960 18.016 394 HH12 ARG 50 HH12 ARG 50 1.369 8.279 17.932 395 HH21 ARG 50 HH21 ARG 50 3.579 7.555 15.369 396 HH22 ARG 50 HH22 ARG 50 2.344 6.930 16.444 397 H VAL 51 H VAL 51 7.879 12.213 15.741 398 HA VAL 51 HA VAL 51 7.835 12.288 12.759 399 HB VAL 51 HB VAL 51 10.394 11.830 14.324 400 HG11 VAL 51 HG11 VAL 51 10.337 10.764 12.096 401 HG12 VAL 51 HG12 VAL 51 9.861 12.293 11.351 402 HG13 VAL 51 HG13 VAL 51 11.459 12.124 12.100 403 HG21 VAL 51 HG21 VAL 51 9.571 14.379 12.877 404 HG22 VAL 51 HG22 VAL 51 9.825 14.187 14.629 405 HG23 VAL 51 HG23 VAL 51 11.187 14.008 13.529 406 H ASP 52 H ASP 52 7.400 10.327 11.919 407 HA ASP 52 HA ASP 52 7.919 7.853 13.554 408 HB2 ASP 52 HB2 ASP 52 5.763 8.379 11.482 409 HB3 ASP 52 HB3 ASP 52 6.180 6.785 12.130 410 H LEU 53 H LEU 53 9.810 7.032 12.876 411 HA LEU 53 HA LEU 53 10.697 7.264 10.079 412 HB2 LEU 53 HB2 LEU 53 11.924 5.833 12.465 413 HB3 LEU 53 HB3 LEU 53 12.673 6.055 10.904 414 HG LEU 53 HG LEU 53 13.699 7.596 12.302 415 HD11 LEU 53 HD11 LEU 53 13.208 9.786 11.326 416 HD12 LEU 53 HD12 LEU 53 13.136 8.511 10.091 417 HD13 LEU 53 HD13 LEU 53 11.646 9.207 10.749 418 HD21 LEU 53 HD21 LEU 53 11.093 8.878 13.170 419 HD22 LEU 53 HD22 LEU 53 11.981 7.657 14.115 420 HD23 LEU 53 HD23 LEU 53 12.735 9.206 13.739 421 H ARG 54 H ARG 54 8.714 5.145 11.756 422 HA ARG 54 HA ARG 54 9.044 2.689 10.249 423 HB2 ARG 54 HB2 ARG 54 6.678 3.920 11.727 424 HB3 ARG 54 HB3 ARG 54 6.712 2.260 11.113 425 HG2 ARG 54 HG2 ARG 54 8.563 1.656 12.547 426 HG3 ARG 54 HG3 ARG 54 8.725 3.305 13.160 427 HD2 ARG 54 HD2 ARG 54 6.243 1.576 13.530 428 HD3 ARG 54 HD3 ARG 54 7.553 1.739 14.707 429 HE ARG 54 HE ARG 54 5.930 4.082 13.752 430 HH11 ARG 54 HH11 ARG 54 7.185 2.335 16.533 431 HH12 ARG 54 HH12 ARG 54 6.686 3.617 17.620 432 HH21 ARG 54 HH21 ARG 54 5.409 5.665 15.214 433 HH22 ARG 54 HH22 ARG 54 5.724 5.360 16.918 434 H SER 55 H SER 55 7.517 5.740 9.493 435 HA SER 55 HA SER 55 6.446 4.665 6.915 436 HB2 SER 55 HB2 SER 55 4.359 5.885 7.342 437 HB3 SER 55 HB3 SER 55 4.665 4.690 8.613 438 HG SER 55 HG SER 55 4.049 6.683 9.507 439 H GLY 56 H GLY 56 8.208 7.203 8.428 440 HA2 GLY 56 HA2 GLY 56 9.383 8.909 7.382 441 HA3 GLY 56 HA3 GLY 56 8.451 8.687 5.900 442 H VAL 57 H VAL 57 6.367 8.927 8.617 443 HA VAL 57 HA VAL 57 5.375 11.509 7.691 444 HB VAL 57 HB VAL 57 4.502 9.722 9.981 445 HG11 VAL 57 HG11 VAL 57 3.227 12.296 8.965 446 HG12 VAL 57 HG12 VAL 57 2.437 11.126 10.045 447 HG13 VAL 57 HG13 VAL 57 3.862 11.994 10.608 448 HG21 VAL 57 HG21 VAL 57 2.581 9.261 8.543 449 HG22 VAL 57 HG22 VAL 57 3.200 10.386 7.311 450 HG23 VAL 57 HG23 VAL 57 4.077 8.880 7.674 451 H ILE 58 H ILE 58 5.726 13.442 8.399 452 HA ILE 58 HA ILE 58 6.901 13.976 11.103 453 HB ILE 58 HB ILE 58 7.273 15.415 8.462 454 HG12 ILE 58 HG12 ILE 58 9.303 14.388 10.499 455 HG13 ILE 58 HG13 ILE 58 8.802 13.513 9.042 456 HG21 ILE 58 HG21 ILE 58 7.942 16.452 11.257 457 HG22 ILE 58 HG22 ILE 58 8.464 17.211 9.729 458 HG23 ILE 58 HG23 ILE 58 6.770 17.164 10.109 459 HD11 ILE 58 HD11 ILE 58 9.631 15.445 7.663 460 HD12 ILE 58 HD12 ILE 58 10.348 16.102 9.162 461 HD13 ILE 58 HD13 ILE 58 10.879 14.540 8.537 462 H SER 59 H SER 59 5.516 14.953 12.429 463 HA SER 59 HA SER 59 3.040 16.234 11.327 464 HB2 SER 59 HB2 SER 59 2.599 14.065 12.407 465 HB3 SER 59 HB3 SER 59 3.368 14.643 13.887 466 HG SER 59 HG SER 59 1.073 14.881 13.926 467 H LEU 60 H LEU 60 2.633 18.251 11.936 468 HA LEU 60 HA LEU 60 4.495 19.577 13.847 469 HB2 LEU 60 HB2 LEU 60 2.656 20.908 11.869 470 HB3 LEU 60 HB3 LEU 60 4.008 21.620 12.744 471 HG LEU 60 HG LEU 60 4.156 19.597 10.458 472 HD11 LEU 60 HD11 LEU 60 5.276 21.442 9.281 473 HD12 LEU 60 HD12 LEU 60 3.645 21.898 9.781 474 HD13 LEU 60 HD13 LEU 60 5.037 22.495 10.704 475 HD21 LEU 60 HD21 LEU 60 6.615 19.909 10.550 476 HD22 LEU 60 HD22 LEU 60 6.427 20.828 12.065 477 HD23 LEU 60 HD23 LEU 60 6.003 19.109 11.997 478 H ILE 61 H ILE 61 3.762 21.002 15.436 479 HA ILE 61 HA ILE 61 0.888 20.848 16.254 480 HB ILE 61 HB ILE 61 1.562 20.567 18.592 481 HG12 ILE 61 HG12 ILE 61 3.898 19.456 18.938 482 HG13 ILE 61 HG13 ILE 61 4.390 20.372 17.516 483 HG21 ILE 61 HG21 ILE 61 0.835 18.669 17.237 484 HG22 ILE 61 HG22 ILE 61 2.513 18.300 16.800 485 HG23 ILE 61 HG23 ILE 61 1.991 18.181 18.494 486 HD11 ILE 61 HD11 ILE 61 3.867 22.484 18.712 487 HD12 ILE 61 HD12 ILE 61 3.205 21.559 20.075 488 HD13 ILE 61 HD13 ILE 61 4.932 21.467 19.677 489 H GLU 62 H GLU 62 0.201 22.572 17.726 490 HA GLU 62 HA GLU 62 1.195 25.131 16.807 491 HB2 GLU 62 HB2 GLU 62 -0.835 24.452 18.969 492 HB3 GLU 62 HB3 GLU 62 -0.483 26.075 18.353 493 HG2 GLU 62 HG2 GLU 62 -1.165 25.369 16.075 494 HG3 GLU 62 HG3 GLU 62 -1.574 23.763 16.693 495 H GLU 63 H GLU 63 2.742 26.389 17.611 496 HA GLU 63 HA GLU 63 4.011 25.760 20.202 497 HB2 GLU 63 HB2 GLU 63 5.703 27.282 19.613 498 HB3 GLU 63 HB3 GLU 63 5.364 26.283 18.211 499 HG2 GLU 63 HG2 GLU 63 5.132 28.112 16.949 500 HG3 GLU 63 HG3 GLU 63 3.724 28.573 17.868 501 H GLN 64 H GLN 64 1.638 27.994 18.967 502 HA GLN 64 HA GLN 64 1.621 29.659 21.398 503 HB2 GLN 64 HB2 GLN 64 -0.088 29.652 18.889 504 HB3 GLN 64 HB3 GLN 64 -0.394 30.706 20.262 505 HG2 GLN 64 HG2 GLN 64 2.169 30.661 18.610 506 HG3 GLN 64 HG3 GLN 64 0.881 31.860 18.487 507 HE21 GLN 64 HE21 GLN 64 3.914 31.728 19.545 508 HE22 GLN 64 HE22 GLN 64 3.772 32.794 20.954 509 H ASN 65 H ASN 65 0.272 29.422 23.057 510 HA ASN 65 HA ASN 65 -1.889 27.367 23.018 511 HB2 ASN 65 HB2 ASN 65 0.532 27.405 24.866 512 HB3 ASN 65 HB3 ASN 65 -0.922 26.476 25.201 513 HD21 ASN 65 HD21 ASN 65 1.979 26.565 23.210 514 HD22 ASN 65 HD22 ASN 65 1.655 25.031 22.416 515 H ARG 66 H ARG 66 -2.033 30.239 22.994 516 HA ARG 66 HA ARG 66 -3.853 30.669 25.245 517 HB2 ARG 66 HB2 ARG 66 -2.833 32.784 25.956 518 HB3 ARG 66 HB3 ARG 66 -1.821 31.403 26.268 519 HG2 ARG 66 HG2 ARG 66 -0.466 33.259 25.577 520 HG3 ARG 66 HG3 ARG 66 -0.322 31.951 24.413 521 HD2 ARG 66 HD2 ARG 66 -0.405 34.211 23.379 522 HD3 ARG 66 HD3 ARG 66 -1.656 33.132 22.795 523 HE ARG 66 HE ARG 66 -3.322 34.305 24.003 524 HH11 ARG 66 HH11 ARG 66 -0.251 35.990 24.340 525 HH12 ARG 66 HH12 ARG 66 -1.032 37.440 24.911 526 HH21 ARG 66 HH21 ARG 66 -4.208 36.176 24.699 527 HH22 ARG 66 HH22 ARG 66 -3.208 37.548 25.101 528 H1 GLY -3 H1 GLY -3 5.866 -0.116 1.678 529 H2 GLY -3 H2 GLY -3 5.026 0.773 2.768 530 H3 GLY -3 H3 GLY -3 4.377 -0.610 2.159 531 HA2 GLY -3 HA2 GLY -3 5.156 -0.980 4.403 532 HA3 GLY -3 HA3 GLY -3 6.070 -1.944 3.217 533 HA PRO -2 HA PRO -2 8.929 0.696 5.891 534 HB2 PRO -2 HB2 PRO -2 10.179 -1.232 7.355 535 HB3 PRO -2 HB3 PRO -2 8.556 -0.610 7.769 536 HG2 PRO -2 HG2 PRO -2 9.216 -3.118 6.187 537 HG3 PRO -2 HG3 PRO -2 8.132 -2.962 7.607 538 HD2 PRO -2 HD2 PRO -2 7.178 -2.917 5.064 539 HD3 PRO -2 HD3 PRO -2 6.473 -1.870 6.339 540 H GLY -1 H GLY -1 9.418 -1.795 3.530 541 HA2 GLY -1 HA2 GLY -1 12.302 -1.764 3.368 542 HA3 GLY -1 HA3 GLY -1 11.184 -2.296 2.115 543 H SER 0 H SER 0 13.466 -1.025 1.416 544 HA SER 0 HA SER 0 14.410 0.635 0.227 545 HB2 SER 0 HB2 SER 0 11.581 1.402 -0.565 546 HB3 SER 0 HB3 SER 0 13.078 1.862 -1.391 547 HG SER 0 HG SER 0 12.036 -0.769 -1.047 548 H MET 1 H MET 1 13.590 1.298 3.036 549 HA MET 1 HA MET 1 14.626 4.030 3.009 550 HB2 MET 1 HB2 MET 1 12.901 4.991 4.415 551 HB3 MET 1 HB3 MET 1 12.204 4.470 2.895 552 HG2 MET 1 HG2 MET 1 11.313 2.443 3.965 553 HG3 MET 1 HG3 MET 1 12.041 2.908 5.511 554 HE1 MET 1 HE1 MET 1 9.952 5.907 6.699 555 HE2 MET 1 HE2 MET 1 11.407 4.913 6.902 556 HE3 MET 1 HE3 MET 1 11.355 6.151 5.626 557 H CYS 2 H CYS 2 15.017 4.747 5.376 558 HA CYS 2 HA CYS 2 15.615 2.479 7.195 559 HB2 CYS 2 HB2 CYS 2 17.959 3.190 7.405 560 HB3 CYS 2 HB3 CYS 2 17.576 2.690 5.753 561 HG CYS 2 HG CYS 2 19.235 4.720 5.702 562 H MET 3 H MET 3 16.372 3.128 9.317 563 HA MET 3 HA MET 3 14.696 5.187 10.467 564 HB2 MET 3 HB2 MET 3 16.829 3.359 11.601 565 HB3 MET 3 HB3 MET 3 15.952 4.522 12.585 566 HG2 MET 3 HG2 MET 3 13.806 3.509 11.981 567 HG3 MET 3 HG3 MET 3 14.617 2.320 10.956 568 HE1 MET 3 HE1 MET 3 16.452 0.025 13.454 569 HE2 MET 3 HE2 MET 3 15.886 0.229 11.786 570 HE3 MET 3 HE3 MET 3 17.101 1.344 12.465 571 H ALA 4 H ALA 4 15.324 6.988 11.682 572 HA ALA 4 HA ALA 4 17.744 8.421 10.782 573 HB1 ALA 4 HB1 ALA 4 16.712 10.327 11.970 574 HB2 ALA 4 HB2 ALA 4 15.559 9.578 10.856 575 HB3 ALA 4 HB3 ALA 4 15.438 9.256 12.603 576 H LYS 5 H LYS 5 18.893 9.673 12.532 577 HA LYS 5 HA LYS 5 19.025 8.281 15.169 578 HB2 LYS 5 HB2 LYS 5 21.388 8.723 15.377 579 HB3 LYS 5 HB3 LYS 5 21.066 7.697 13.985 580 HG2 LYS 5 HG2 LYS 5 21.317 9.681 12.478 581 HG3 LYS 5 HG3 LYS 5 21.670 10.686 13.902 582 HD2 LYS 5 HD2 LYS 5 23.643 9.273 14.411 583 HD3 LYS 5 HD3 LYS 5 23.283 8.265 12.996 584 HE2 LYS 5 HE2 LYS 5 23.537 10.255 11.525 585 HE3 LYS 5 HE3 LYS 5 23.912 11.248 12.938 586 HZ1 LYS 5 HZ1 LYS 5 25.939 10.501 11.828 587 HZ2 LYS 5 HZ2 LYS 5 25.871 9.851 13.321 588 HZ3 LYS 5 HZ3 LYS 5 25.528 8.935 12.009 589 H VAL 6 H VAL 6 19.189 9.544 16.950 590 HA VAL 6 HA VAL 6 18.400 12.409 16.600 591 HB VAL 6 HB VAL 6 17.980 10.473 18.886 592 HG11 VAL 6 HG11 VAL 6 16.677 12.320 19.979 593 HG12 VAL 6 HG12 VAL 6 18.416 12.616 19.944 594 HG13 VAL 6 HG13 VAL 6 17.344 13.443 18.782 595 HG21 VAL 6 HG21 VAL 6 15.626 10.755 18.447 596 HG22 VAL 6 HG22 VAL 6 15.937 12.028 17.255 597 HG23 VAL 6 HG23 VAL 6 16.391 10.355 16.904 598 H VAL 7 H VAL 7 19.567 14.048 17.561 599 HA VAL 7 HA VAL 7 21.833 13.370 19.353 600 HB VAL 7 HB VAL 7 22.835 13.595 17.177 601 HG11 VAL 7 HG11 VAL 7 22.866 15.693 15.921 602 HG12 VAL 7 HG12 VAL 7 21.224 15.066 16.031 603 HG13 VAL 7 HG13 VAL 7 21.718 16.428 17.062 604 HG21 VAL 7 HG21 VAL 7 24.535 15.235 17.682 605 HG22 VAL 7 HG22 VAL 7 23.474 16.080 18.818 606 HG23 VAL 7 HG23 VAL 7 24.048 14.442 19.194 607 H LEU 8 H LEU 8 22.207 14.749 20.995 608 HA LEU 8 HA LEU 8 20.800 17.332 21.222 609 HB2 LEU 8 HB2 LEU 8 19.580 16.745 23.196 610 HB3 LEU 8 HB3 LEU 8 19.205 15.611 21.909 611 HG LEU 8 HG LEU 8 21.125 14.156 23.126 612 HD11 LEU 8 HD11 LEU 8 21.600 15.763 24.958 613 HD12 LEU 8 HD12 LEU 8 19.881 15.801 25.388 614 HD13 LEU 8 HD13 LEU 8 20.829 14.313 25.609 615 HD21 LEU 8 HD21 LEU 8 18.817 13.437 22.676 616 HD22 LEU 8 HD22 LEU 8 19.340 12.968 24.298 617 HD23 LEU 8 HD23 LEU 8 18.257 14.370 24.081 618 H THR 9 H THR 9 21.440 18.610 23.049 619 HA THR 9 HA THR 9 24.183 17.989 24.100 620 HB THR 9 HB THR 9 22.999 20.751 23.742 621 HG1 THR 9 HG1 THR 9 23.278 19.854 21.728 622 HG21 THR 9 HG21 THR 9 25.381 21.437 23.890 623 HG22 THR 9 HG22 THR 9 24.843 20.646 25.375 624 HG23 THR 9 HG23 THR 9 25.844 19.751 24.209 625 H LYS 10 H LYS 10 24.518 17.955 26.222 626 HA LYS 10 HA LYS 10 22.237 18.143 28.088 627 HB2 LYS 10 HB2 LYS 10 25.170 17.411 28.531 628 HB3 LYS 10 HB3 LYS 10 23.885 17.266 29.737 629 HG2 LYS 10 HG2 LYS 10 22.674 15.693 28.135 630 HG3 LYS 10 HG3 LYS 10 24.162 15.664 27.156 631 HD2 LYS 10 HD2 LYS 10 23.968 14.927 30.119 632 HD3 LYS 10 HD3 LYS 10 23.971 13.758 28.786 633 HE2 LYS 10 HE2 LYS 10 26.231 14.437 28.120 634 HE3 LYS 10 HE3 LYS 10 26.238 15.729 29.342 635 HZ1 LYS 10 HZ1 LYS 10 27.403 13.755 30.131 636 HZ2 LYS 10 HZ2 LYS 10 26.112 14.068 31.071 637 HZ3 LYS 10 HZ3 LYS 10 26.060 12.837 29.985 638 H ALA 11 H ALA 11 22.383 19.310 30.109 639 HA ALA 11 HA ALA 11 23.322 22.024 30.011 640 HB1 ALA 11 HB1 ALA 11 21.453 21.229 31.433 641 HB2 ALA 11 HB2 ALA 11 22.596 20.272 32.399 642 HB3 ALA 11 HB3 ALA 11 22.696 22.050 32.382 643 H ASP 12 H ASP 12 24.972 19.070 30.875 644 HA ASP 12 HA ASP 12 27.241 20.211 32.262 645 HB2 ASP 12 HB2 ASP 12 26.980 17.628 30.669 646 HB3 ASP 12 HB3 ASP 12 28.293 18.025 31.780 647 H GLY 13 H GLY 13 26.337 20.511 28.988 648 HA2 GLY 13 HA2 GLY 13 27.461 21.544 27.226 649 HA3 GLY 13 HA3 GLY 13 28.989 21.447 28.109 650 H GLY 14 H GLY 14 27.957 18.379 28.383 651 HA2 GLY 14 HA2 GLY 14 29.420 17.284 26.085 652 HA3 GLY 14 HA3 GLY 14 28.608 16.376 27.362 653 H ARG 15 H ARG 15 28.348 15.431 24.873 654 HA ARG 15 HA ARG 15 25.512 16.026 24.113 655 HB2 ARG 15 HB2 ARG 15 27.922 15.713 22.285 656 HB3 ARG 15 HB3 ARG 15 26.258 15.445 21.727 657 HG2 ARG 15 HG2 ARG 15 25.611 17.696 22.473 658 HG3 ARG 15 HG3 ARG 15 27.274 18.029 22.983 659 HD2 ARG 15 HD2 ARG 15 28.058 17.906 20.710 660 HD3 ARG 15 HD3 ARG 15 26.489 17.294 20.135 661 HE ARG 15 HE ARG 15 25.724 19.610 21.274 662 HH11 ARG 15 HH11 ARG 15 28.242 19.075 18.895 663 HH12 ARG 15 HH12 ARG 15 28.081 20.680 18.242 664 HH21 ARG 15 HH21 ARG 15 25.560 21.597 20.412 665 HH22 ARG 15 HH22 ARG 15 26.562 22.068 19.068 666 H VAL 16 H VAL 16 24.320 14.463 23.160 667 HA VAL 16 HA VAL 16 25.086 11.622 23.677 668 HB VAL 16 HB VAL 16 22.566 13.046 24.601 669 HG11 VAL 16 HG11 VAL 16 21.855 10.846 25.553 670 HG12 VAL 16 HG12 VAL 16 21.862 10.850 23.799 671 HG13 VAL 16 HG13 VAL 16 23.188 10.063 24.680 672 HG21 VAL 16 HG21 VAL 16 23.242 12.266 26.851 673 HG22 VAL 16 HG22 VAL 16 24.716 11.560 26.171 674 HG23 VAL 16 HG23 VAL 16 24.469 13.323 26.154 675 H GLU 17 H GLU 17 24.188 10.135 22.288 676 HA GLU 17 HA GLU 17 22.419 11.091 20.104 677 HB2 GLU 17 HB2 GLU 17 24.922 9.397 19.756 678 HB3 GLU 17 HB3 GLU 17 23.704 9.707 18.504 679 HG2 GLU 17 HG2 GLU 17 24.147 12.131 18.673 680 HG3 GLU 17 HG3 GLU 17 25.456 11.805 19.823 681 H ILE 18 H ILE 18 21.029 9.549 19.225 682 HA ILE 18 HA ILE 18 21.010 6.821 20.415 683 HB ILE 18 HB ILE 18 18.471 8.425 19.927 684 HG12 ILE 18 HG12 ILE 18 18.413 7.854 22.612 685 HG13 ILE 18 HG13 ILE 18 20.132 8.116 22.410 686 HG21 ILE 18 HG21 ILE 18 18.915 5.698 21.214 687 HG22 ILE 18 HG22 ILE 18 17.357 6.544 21.027 688 HG23 ILE 18 HG23 ILE 18 18.224 5.990 19.599 689 HD11 ILE 18 HD11 ILE 18 19.523 10.367 21.320 690 HD12 ILE 18 HD12 ILE 18 17.836 10.018 21.746 691 HD13 ILE 18 HD13 ILE 18 19.054 10.220 23.019 692 H GLY 19 H GLY 19 21.257 5.398 18.838 693 HA2 GLY 19 HA2 GLY 19 20.532 6.012 16.011 694 HA3 GLY 19 HA3 GLY 19 21.564 4.695 16.569 695 H ASP 20 H ASP 20 19.689 4.081 14.758 696 HA ASP 20 HA ASP 20 17.892 2.794 14.228 697 HB2 ASP 20 HB2 ASP 20 18.455 1.387 16.855 698 HB3 ASP 20 HB3 ASP 20 17.645 0.734 15.434 699 H VAL 21 H VAL 21 17.030 5.152 15.104 700 HA VAL 21 HA VAL 21 14.948 4.934 17.136 701 HB VAL 21 HB VAL 21 15.830 7.188 15.312 702 HG11 VAL 21 HG11 VAL 21 14.470 8.647 16.808 703 HG12 VAL 21 HG12 VAL 21 13.495 7.589 15.800 704 HG13 VAL 21 HG13 VAL 21 13.733 7.185 17.510 705 HG21 VAL 21 HG21 VAL 21 17.432 6.549 17.084 706 HG22 VAL 21 HG22 VAL 21 16.705 8.116 17.443 707 HG23 VAL 21 HG23 VAL 21 16.154 6.666 18.302 708 H LEU 22 H LEU 22 12.968 4.298 16.862 709 HA LEU 22 HA LEU 22 11.717 4.022 14.191 710 HB2 LEU 22 HB2 LEU 22 10.795 3.344 17.016 711 HB3 LEU 22 HB3 LEU 22 9.822 3.084 15.577 712 HG LEU 22 HG LEU 22 12.492 1.700 16.140 713 HD11 LEU 22 HD11 LEU 22 10.706 0.947 17.650 714 HD12 LEU 22 HD12 LEU 22 9.593 0.753 16.278 715 HD13 LEU 22 HD13 LEU 22 11.016 -0.296 16.418 716 HD21 LEU 22 HD21 LEU 22 11.992 1.924 13.689 717 HD22 LEU 22 HD22 LEU 22 11.899 0.252 14.240 718 HD23 LEU 22 HD23 LEU 22 10.404 1.166 13.964 719 H GLU 23 H GLU 23 11.499 6.152 17.060 720 HA GLU 23 HA GLU 23 9.626 7.905 15.632 721 HB2 GLU 23 HB2 GLU 23 8.277 6.002 16.740 722 HB3 GLU 23 HB3 GLU 23 8.764 6.705 18.279 723 HG2 GLU 23 HG2 GLU 23 7.687 8.883 17.514 724 HG3 GLU 23 HG3 GLU 23 7.053 8.003 16.136 725 H VAL 24 H VAL 24 9.441 9.981 16.527 726 HA VAL 24 HA VAL 24 10.782 10.565 19.116 727 HB VAL 24 HB VAL 24 11.164 12.293 16.644 728 HG11 VAL 24 HG11 VAL 24 12.751 13.561 18.046 729 HG12 VAL 24 HG12 VAL 24 11.142 13.616 18.755 730 HG13 VAL 24 HG13 VAL 24 12.365 12.535 19.438 731 HG21 VAL 24 HG21 VAL 24 13.589 11.675 16.932 732 HG22 VAL 24 HG22 VAL 24 13.094 10.447 18.103 733 HG23 VAL 24 HG23 VAL 24 12.567 10.327 16.413 734 H ARG 25 H ARG 25 9.730 12.076 20.351 735 HA ARG 25 HA ARG 25 7.248 13.398 19.291 736 HB2 ARG 25 HB2 ARG 25 7.425 12.061 22.010 737 HB3 ARG 25 HB3 ARG 25 6.007 12.763 21.243 738 HG2 ARG 25 HG2 ARG 25 5.997 10.920 19.578 739 HG3 ARG 25 HG3 ARG 25 7.469 10.255 20.317 740 HD2 ARG 25 HD2 ARG 25 6.195 10.109 22.515 741 HD3 ARG 25 HD3 ARG 25 4.720 10.432 21.597 742 HE ARG 25 HE ARG 25 5.408 8.434 20.147 743 HH11 ARG 25 HH11 ARG 25 6.237 8.417 23.611 744 HH12 ARG 25 HH12 ARG 25 6.594 6.691 23.516 745 HH21 ARG 25 HH21 ARG 25 5.981 6.286 20.243 746 HH22 ARG 25 HH22 ARG 25 6.487 5.618 21.798 747 H ALA 26 H ALA 26 6.993 15.515 20.015 748 HA ALA 26 HA ALA 26 8.952 16.512 22.045 749 HB1 ALA 26 HB1 ALA 26 7.757 17.943 19.646 750 HB2 ALA 26 HB2 ALA 26 8.866 18.647 20.852 751 HB3 ALA 26 HB3 ALA 26 9.419 17.333 19.795 752 H GLU 27 H GLU 27 8.274 17.570 23.728 753 HA GLU 27 HA GLU 27 5.589 18.764 23.914 754 HB2 GLU 27 HB2 GLU 27 5.694 16.259 24.783 755 HB3 GLU 27 HB3 GLU 27 6.564 16.986 26.149 756 HG2 GLU 27 HG2 GLU 27 4.588 18.522 26.482 757 HG3 GLU 27 HG3 GLU 27 3.777 17.682 25.145 758 H GLY 28 H GLY 28 5.496 20.390 25.674 759 HA2 GLY 28 HA2 GLY 28 7.834 21.964 25.946 760 HA3 GLY 28 HA3 GLY 28 6.368 22.114 26.922 761 H GLY 29 H GLY 29 6.704 19.318 27.984 762 HA2 GLY 29 HA2 GLY 29 8.497 19.818 30.236 763 HA3 GLY 29 HA3 GLY 29 7.579 18.354 29.897 764 H ALA 30 H ALA 30 8.521 17.455 27.494 765 HA ALA 30 HA ALA 30 11.421 17.239 27.501 766 HB1 ALA 30 HB1 ALA 30 9.681 14.908 28.457 767 HB2 ALA 30 HB2 ALA 30 11.431 14.823 28.141 768 HB3 ALA 30 HB3 ALA 30 10.810 15.821 29.473 769 H VAL 31 H VAL 31 12.260 16.165 25.727 770 HA VAL 31 HA VAL 31 10.401 15.291 23.563 771 HB VAL 31 HB VAL 31 13.410 15.610 23.645 772 HG11 VAL 31 HG11 VAL 31 13.303 15.080 21.179 773 HG12 VAL 31 HG12 VAL 31 13.007 13.683 22.209 774 HG13 VAL 31 HG13 VAL 31 11.658 14.503 21.392 775 HG21 VAL 31 HG21 VAL 31 11.290 16.967 21.929 776 HG22 VAL 31 HG22 VAL 31 11.999 17.670 23.398 777 HG23 VAL 31 HG23 VAL 31 13.021 17.351 21.989 778 H ARG 32 H ARG 32 10.104 13.188 23.038 779 HA ARG 32 HA ARG 32 11.521 11.076 24.637 780 HB2 ARG 32 HB2 ARG 32 8.641 11.164 23.684 781 HB3 ARG 32 HB3 ARG 32 9.456 9.664 24.103 782 HG2 ARG 32 HG2 ARG 32 8.131 10.363 25.940 783 HG3 ARG 32 HG3 ARG 32 9.835 10.484 26.401 784 HD2 ARG 32 HD2 ARG 32 9.780 12.857 26.391 785 HD3 ARG 32 HD3 ARG 32 8.309 12.902 25.402 786 HE ARG 32 HE ARG 32 8.040 11.627 28.045 787 HH11 ARG 32 HH11 ARG 32 7.719 14.725 26.386 788 HH12 ARG 32 HH12 ARG 32 6.291 15.127 27.346 789 HH21 ARG 32 HH21 ARG 32 6.312 12.364 29.271 790 HH22 ARG 32 HH22 ARG 32 5.624 13.939 28.917 791 H VAL 33 H VAL 33 12.056 9.173 23.592 792 HA VAL 33 HA VAL 33 11.972 9.117 20.600 793 HB VAL 33 HB VAL 33 14.477 8.567 22.214 794 HG11 VAL 33 HG11 VAL 33 14.065 8.690 19.236 795 HG12 VAL 33 HG12 VAL 33 15.632 8.528 20.050 796 HG13 VAL 33 HG13 VAL 33 14.441 7.238 20.187 797 HG21 VAL 33 HG21 VAL 33 15.446 10.581 21.174 798 HG22 VAL 33 HG22 VAL 33 13.872 10.979 20.464 799 HG23 VAL 33 HG23 VAL 33 14.094 10.996 22.227 800 H THR 34 H THR 34 11.761 7.056 19.733 801 HA THR 34 HA THR 34 11.622 4.740 21.654 802 HB THR 34 HB THR 34 10.018 5.118 19.103 803 HG1 THR 34 HG1 THR 34 9.390 6.517 20.790 804 HG21 THR 34 HG21 THR 34 8.657 3.253 19.995 805 HG22 THR 34 HG22 THR 34 10.304 2.746 19.618 806 HG23 THR 34 HG23 THR 34 9.832 3.035 21.313 807 H THR 35 H THR 35 12.706 2.892 21.125 808 HA THR 35 HA THR 35 14.111 2.737 18.484 809 HB THR 35 HB THR 35 16.043 1.712 19.718 810 HG1 THR 35 HG1 THR 35 14.989 1.352 21.704 811 HG21 THR 35 HG21 THR 35 16.153 4.037 18.921 812 HG22 THR 35 HG22 THR 35 15.413 4.596 20.440 813 HG23 THR 35 HG23 THR 35 17.009 3.821 20.457 814 H LEU 36 H LEU 36 14.706 0.657 17.734 815 HA LEU 36 HA LEU 36 12.521 -1.103 17.882 816 HB2 LEU 36 HB2 LEU 36 13.809 -2.569 16.383 817 HB3 LEU 36 HB3 LEU 36 13.654 -0.907 15.861 818 HG LEU 36 HG LEU 36 15.932 -0.413 16.266 819 HD11 LEU 36 HD11 LEU 36 16.483 -1.535 18.344 820 HD12 LEU 36 HD12 LEU 36 16.235 -3.128 17.595 821 HD13 LEU 36 HD13 LEU 36 17.589 -2.092 17.100 822 HD21 LEU 36 HD21 LEU 36 17.025 -1.995 14.751 823 HD22 LEU 36 HD22 LEU 36 15.805 -3.230 15.117 824 HD23 LEU 36 HD23 LEU 36 15.341 -1.770 14.226 825 H PHE 37 H PHE 37 14.883 -1.042 20.221 826 HA PHE 37 HA PHE 37 14.746 -3.851 21.010 827 HB2 PHE 37 HB2 PHE 37 15.551 -1.436 22.655 828 HB3 PHE 37 HB3 PHE 37 15.927 -3.127 22.984 829 HD1 PHE 37 HD1 PHE 37 17.200 -0.110 21.588 830 HD2 PHE 37 HD2 PHE 37 17.248 -4.389 21.016 831 HE1 PHE 37 HE1 PHE 37 19.291 0.085 20.267 832 HE2 PHE 37 HE2 PHE 37 19.333 -4.178 19.683 833 HZ PHE 37 HZ PHE 37 20.366 -1.943 19.314 834 H ASP 38 H ASP 38 12.324 -1.729 20.784 835 HA ASP 38 HA ASP 38 10.424 -1.153 21.739 836 HB2 ASP 38 HB2 ASP 38 10.579 -3.626 23.482 837 HB3 ASP 38 HB3 ASP 38 9.163 -2.633 23.177 838 H GLU 39 H GLU 39 12.948 -0.164 22.749 839 HA GLU 39 HA GLU 39 12.317 0.589 25.560 840 HB2 GLU 39 HB2 GLU 39 14.778 0.886 23.813 841 HB3 GLU 39 HB3 GLU 39 14.586 1.824 25.290 842 HG2 GLU 39 HG2 GLU 39 14.584 -1.200 25.083 843 HG3 GLU 39 HG3 GLU 39 15.926 -0.205 25.639 844 H GLU 40 H GLU 40 12.324 2.714 26.207 845 HA GLU 40 HA GLU 40 11.854 4.819 24.174 846 HB2 GLU 40 HB2 GLU 40 9.956 4.184 26.446 847 HB3 GLU 40 HB3 GLU 40 10.031 5.768 25.645 848 HG2 GLU 40 HG2 GLU 40 9.605 4.673 23.460 849 HG3 GLU 40 HG3 GLU 40 9.429 3.121 24.274 850 H HIS 41 H HIS 41 12.743 6.645 24.583 851 HA HIS 41 HA HIS 41 14.323 7.049 27.095 852 HB2 HIS 41 HB2 HIS 41 14.937 8.236 24.387 853 HB3 HIS 41 HB3 HIS 41 15.994 8.095 25.790 854 HD2 HIS 41 HD2 HIS 41 14.805 6.197 22.705 855 HE1 HIS 41 HE1 HIS 41 17.424 3.508 24.722 856 HE2 HIS 41 HE2 HIS 41 16.016 3.845 22.630 857 H ALA 42 H ALA 42 14.508 9.273 27.857 858 HA ALA 42 HA ALA 42 12.648 11.264 26.691 859 HB1 ALA 42 HB1 ALA 42 12.442 10.326 29.581 860 HB2 ALA 42 HB2 ALA 42 11.542 11.672 28.853 861 HB3 ALA 42 HB3 ALA 42 11.259 10.016 28.295 862 H PHE 43 H PHE 43 13.291 13.291 26.865 863 HA PHE 43 HA PHE 43 15.726 13.998 28.469 864 HB2 PHE 43 HB2 PHE 43 15.220 14.606 25.550 865 HB3 PHE 43 HB3 PHE 43 16.651 15.016 26.499 866 HD1 PHE 43 HD1 PHE 43 18.049 13.070 27.505 867 HD2 PHE 43 HD2 PHE 43 15.086 12.536 24.412 868 HE1 PHE 43 HE1 PHE 43 19.047 10.880 26.932 869 HE2 PHE 43 HE2 PHE 43 16.100 10.334 23.839 870 HZ PHE 43 HZ PHE 43 18.076 9.503 25.110 871 HA PRO 44 HA PRO 44 12.593 17.149 29.404 872 HB2 PRO 44 HB2 PRO 44 14.591 17.699 31.587 873 HB3 PRO 44 HB3 PRO 44 12.805 17.672 31.677 874 HG2 PRO 44 HG2 PRO 44 14.222 15.553 32.550 875 HG3 PRO 44 HG3 PRO 44 12.761 15.277 31.537 876 HD2 PRO 44 HD2 PRO 44 15.680 15.306 30.676 877 HD3 PRO 44 HD3 PRO 44 14.400 14.110 30.289 878 H GLY 45 H GLY 45 12.419 19.365 29.160 879 HA2 GLY 45 HA2 GLY 45 12.965 21.550 28.675 880 HA3 GLY 45 HA3 GLY 45 14.618 21.209 29.197 881 H LEU 46 H LEU 46 13.335 19.323 26.545 882 HA LEU 46 HA LEU 46 14.889 20.925 24.554 883 HB2 LEU 46 HB2 LEU 46 14.348 17.932 24.573 884 HB3 LEU 46 HB3 LEU 46 15.206 18.825 23.322 885 HG LEU 46 HG LEU 46 16.141 18.385 26.184 886 HD11 LEU 46 HD11 LEU 46 16.268 16.457 24.563 887 HD12 LEU 46 HD12 LEU 46 17.299 17.457 23.526 888 HD13 LEU 46 HD13 LEU 46 17.840 17.013 25.158 889 HD21 LEU 46 HD21 LEU 46 16.979 20.570 25.476 890 HD22 LEU 46 HD22 LEU 46 18.296 19.398 25.398 891 HD23 LEU 46 HD23 LEU 46 17.480 19.910 23.900 892 H ALA 47 H ALA 47 14.204 20.773 22.361 893 HA ALA 47 HA ALA 47 11.550 19.721 21.666 894 HB1 ALA 47 HB1 ALA 47 12.352 22.623 21.157 895 HB2 ALA 47 HB2 ALA 47 10.913 21.810 20.487 896 HB3 ALA 47 HB3 ALA 47 11.050 22.067 22.239 897 H ILE 48 H ILE 48 11.362 19.503 19.255 898 HA ILE 48 HA ILE 48 13.903 18.705 18.041 899 HB ILE 48 HB ILE 48 11.107 18.860 16.869 900 HG12 ILE 48 HG12 ILE 48 12.611 16.313 17.573 901 HG13 ILE 48 HG13 ILE 48 11.611 17.146 18.769 902 HG21 ILE 48 HG21 ILE 48 12.085 17.367 15.063 903 HG22 ILE 48 HG22 ILE 48 12.729 19.005 15.047 904 HG23 ILE 48 HG23 ILE 48 13.693 17.686 15.740 905 HD11 ILE 48 HD11 ILE 48 9.644 16.976 17.228 906 HD12 ILE 48 HD12 ILE 48 10.641 15.975 16.138 907 HD13 ILE 48 HD13 ILE 48 10.272 15.427 17.783 908 H GLY 49 H GLY 49 15.266 20.038 17.043 909 HA2 GLY 49 HA2 GLY 49 14.542 22.821 16.351 910 HA3 GLY 49 HA3 GLY 49 16.140 22.079 16.356 911 H ARG 50 H ARG 50 15.690 19.867 14.700 912 HA ARG 50 HA ARG 50 14.532 20.617 12.135 913 HB2 ARG 50 HB2 ARG 50 16.655 20.632 10.855 914 HB3 ARG 50 HB3 ARG 50 16.508 22.003 11.947 915 HG2 ARG 50 HG2 ARG 50 17.998 20.946 13.568 916 HG3 ARG 50 HG3 ARG 50 18.171 19.512 12.517 917 HD2 ARG 50 HD2 ARG 50 19.344 20.790 10.849 918 HD3 ARG 50 HD3 ARG 50 18.916 22.310 11.618 919 HE ARG 50 HE ARG 50 20.474 21.965 13.344 920 HH11 ARG 50 HH11 ARG 50 20.774 19.296 11.026 921 HH12 ARG 50 HH12 ARG 50 22.214 18.718 11.826 922 HH21 ARG 50 HH21 ARG 50 22.296 21.144 14.236 923 HH22 ARG 50 HH22 ARG 50 23.087 19.767 13.533 924 H VAL 51 H VAL 51 14.685 19.049 10.524 925 HA VAL 51 HA VAL 51 15.777 16.387 11.271 926 HB VAL 51 HB VAL 51 13.013 16.623 10.053 927 HG11 VAL 51 HG11 VAL 51 14.127 14.632 9.330 928 HG12 VAL 51 HG12 VAL 51 14.681 14.279 10.970 929 HG13 VAL 51 HG13 VAL 51 12.953 14.181 10.572 930 HG21 VAL 51 HG21 VAL 51 12.771 17.333 12.344 931 HG22 VAL 51 HG22 VAL 51 12.166 15.690 12.184 932 HG23 VAL 51 HG23 VAL 51 13.764 15.984 12.921 933 H ASP 52 H ASP 52 17.224 15.958 9.816 934 HA ASP 52 HA ASP 52 17.075 17.286 7.140 935 HB2 ASP 52 HB2 ASP 52 19.494 16.328 8.696 936 HB3 ASP 52 HB3 ASP 52 19.501 17.232 7.185 937 H LEU 53 H LEU 53 15.911 15.659 5.994 938 HA LEU 53 HA LEU 53 16.601 12.876 6.131 939 HB2 LEU 53 HB2 LEU 53 15.022 14.308 3.967 940 HB3 LEU 53 HB3 LEU 53 15.111 12.592 4.232 941 HG LEU 53 HG LEU 53 13.047 13.222 5.031 942 HD11 LEU 53 HD11 LEU 53 14.765 12.999 7.531 943 HD12 LEU 53 HD12 LEU 53 13.039 12.628 7.398 944 HD13 LEU 53 HD13 LEU 53 14.225 11.649 6.515 945 HD21 LEU 53 HD21 LEU 53 12.483 14.931 6.610 946 HD22 LEU 53 HD22 LEU 53 14.161 15.379 6.857 947 HD23 LEU 53 HD23 LEU 53 13.377 15.664 5.284 948 H ARG 54 H ARG 54 18.072 15.444 4.444 949 HA ARG 54 HA ARG 54 19.561 14.060 2.394 950 HB2 ARG 54 HB2 ARG 54 20.327 16.458 4.127 951 HB3 ARG 54 HB3 ARG 54 21.151 15.941 2.647 952 HG2 ARG 54 HG2 ARG 54 19.027 16.298 1.368 953 HG3 ARG 54 HG3 ARG 54 18.276 16.963 2.824 954 HD2 ARG 54 HD2 ARG 54 20.759 18.041 1.434 955 HD3 ARG 54 HD3 ARG 54 19.134 18.712 1.274 956 HE ARG 54 HE ARG 54 19.260 19.040 3.849 957 HH11 ARG 54 HH11 ARG 54 22.082 19.500 1.787 958 HH12 ARG 54 HH12 ARG 54 22.791 20.620 2.912 959 HH21 ARG 54 HH21 ARG 54 20.148 20.371 5.140 960 HH22 ARG 54 HH22 ARG 54 21.731 21.109 4.829 961 H SER 55 H SER 55 19.857 13.966 5.858 962 HA SER 55 HA SER 55 22.390 12.378 5.654 963 HB2 SER 55 HB2 SER 55 22.754 14.740 6.334 964 HB3 SER 55 HB3 SER 55 21.701 14.486 7.735 965 HG SER 55 HG SER 55 24.014 14.257 8.124 966 H GLY 56 H GLY 56 19.219 12.649 7.113 967 HA2 GLY 56 HA2 GLY 56 18.002 10.993 8.204 968 HA3 GLY 56 HA3 GLY 56 19.443 9.984 8.361 969 H VAL 57 H VAL 57 19.422 13.369 9.377 970 HA VAL 57 HA VAL 57 19.825 12.508 12.218 971 HB VAL 57 HB VAL 57 20.825 14.962 10.756 972 HG11 VAL 57 HG11 VAL 57 21.149 14.134 13.676 973 HG12 VAL 57 HG12 VAL 57 22.101 15.402 12.869 974 HG13 VAL 57 HG13 VAL 57 20.361 15.609 13.063 975 HG21 VAL 57 HG21 VAL 57 22.258 12.552 11.957 976 HG22 VAL 57 HG22 VAL 57 22.073 12.898 10.223 977 HG23 VAL 57 HG23 VAL 57 23.052 13.976 11.227 978 H ILE 58 H ILE 58 18.445 13.007 13.691 979 HA ILE 58 HA ILE 58 16.535 15.297 13.418 980 HB ILE 58 HB ILE 58 16.517 12.793 15.148 981 HG12 ILE 58 HG12 ILE 58 14.455 13.834 13.155 982 HG13 ILE 58 HG13 ILE 58 15.696 12.648 12.746 983 HG21 ILE 58 HG21 ILE 58 14.702 15.245 15.338 984 HG22 ILE 58 HG22 ILE 58 14.375 13.688 16.120 985 HG23 ILE 58 HG23 ILE 58 15.792 14.601 16.600 986 HD11 ILE 58 HD11 ILE 58 13.717 11.447 13.118 987 HD12 ILE 58 HD12 ILE 58 14.745 11.131 14.523 988 HD13 ILE 58 HD13 ILE 58 13.368 12.273 14.632 989 H SER 59 H SER 59 17.220 17.112 14.388 990 HA SER 59 HA SER 59 19.310 16.910 16.532 991 HB2 SER 59 HB2 SER 59 19.942 18.137 14.456 992 HB3 SER 59 HB3 SER 59 18.594 19.244 14.754 993 HG SER 59 HG SER 59 20.952 18.879 16.296 994 H LEU 60 H LEU 60 18.762 17.422 18.545 995 HA LEU 60 HA LEU 60 16.231 18.900 19.077 996 HB2 LEU 60 HB2 LEU 60 17.908 17.357 21.050 997 HB3 LEU 60 HB3 LEU 60 16.286 18.017 21.285 998 HG LEU 60 HG LEU 60 17.071 15.673 19.489 999 HD11 LEU 60 HD11 LEU 60 15.381 15.850 22.021 1000 HD12 LEU 60 HD12 LEU 60 15.648 14.385 21.042 1001 HD13 LEU 60 HD13 LEU 60 16.994 15.145 21.895 1002 HD21 LEU 60 HD21 LEU 60 14.330 16.952 19.917 1003 HD22 LEU 60 HD22 LEU 60 15.239 16.846 18.388 1004 HD23 LEU 60 HD23 LEU 60 14.621 15.374 19.142 1005 H ILE 61 H ILE 61 16.123 20.668 20.370 1006 HA ILE 61 HA ILE 61 18.626 22.010 21.250 1007 HB ILE 61 HB ILE 61 17.791 24.155 20.376 1008 HG12 ILE 61 HG12 ILE 61 16.197 23.957 18.323 1009 HG13 ILE 61 HG13 ILE 61 15.582 22.499 19.091 1010 HG21 ILE 61 HG21 ILE 61 19.476 22.791 19.175 1011 HG22 ILE 61 HG22 ILE 61 18.184 22.083 18.181 1012 HG23 ILE 61 HG23 ILE 61 18.525 23.818 18.093 1013 HD11 ILE 61 HD11 ILE 61 14.830 23.844 21.034 1014 HD12 ILE 61 HD12 ILE 61 15.644 25.284 20.352 1015 HD13 ILE 61 HD13 ILE 61 14.244 24.559 19.537 1016 H GLU 62 H GLU 62 18.313 23.636 22.900 1017 HA GLU 62 HA GLU 62 16.426 22.785 24.899 1018 HB2 GLU 62 HB2 GLU 62 18.129 25.314 24.892 1019 HB3 GLU 62 HB3 GLU 62 17.324 24.559 26.254 1020 HG2 GLU 62 HG2 GLU 62 19.379 23.730 26.624 1021 HG3 GLU 62 HG3 GLU 62 18.796 22.438 25.590 1022 H GLU 63 H GLU 63 14.411 23.468 25.420 1023 HA GLU 63 HA GLU 63 13.168 25.545 23.727 1024 HB2 GLU 63 HB2 GLU 63 11.047 24.796 24.570 1025 HB3 GLU 63 HB3 GLU 63 12.029 23.467 24.006 1026 HG2 GLU 63 HG2 GLU 63 11.046 22.610 25.917 1027 HG3 GLU 63 HG3 GLU 63 12.660 23.036 26.452 1028 H GLN 64 H GLN 64 14.650 25.552 26.787 1029 HA GLN 64 HA GLN 64 13.905 28.411 27.094 1030 HB2 GLN 64 HB2 GLN 64 13.907 26.343 29.307 1031 HB3 GLN 64 HB3 GLN 64 14.156 28.057 29.630 1032 HG2 GLN 64 HG2 GLN 64 12.002 28.669 28.758 1033 HG3 GLN 64 HG3 GLN 64 11.696 27.029 28.175 1034 HE21 GLN 64 HE21 GLN 64 11.354 25.290 29.772 1035 HE22 GLN 64 HE22 GLN 64 10.785 25.736 31.396 1036 H ASN 65 H ASN 65 15.558 29.750 27.614 1037 HA ASN 65 HA ASN 65 18.293 28.701 27.349 1038 HB2 ASN 65 HB2 ASN 65 17.191 31.551 27.355 1039 HB3 ASN 65 HB3 ASN 65 18.851 31.100 27.005 1040 HD21 ASN 65 HD21 ASN 65 19.308 29.908 25.023 1041 HD22 ASN 65 HD22 ASN 65 18.144 29.968 23.701 1042 H ARG 66 H ARG 66 16.486 28.888 29.973 1043 HA ARG 66 HA ARG 66 17.820 30.545 31.879 1044 HB2 ARG 66 HB2 ARG 66 16.021 28.103 32.176 1045 HB3 ARG 66 HB3 ARG 66 16.524 29.128 33.529 1046 HG2 ARG 66 HG2 ARG 66 15.317 31.033 32.688 1047 HG3 ARG 66 HG3 ARG 66 15.076 30.287 31.107 1048 HD2 ARG 66 HD2 ARG 66 13.001 30.166 32.272 1049 HD3 ARG 66 HD3 ARG 66 13.671 28.535 32.118 1050 HE ARG 66 HE ARG 66 14.429 29.706 34.635 1051 HH11 ARG 66 HH11 ARG 66 11.631 28.303 33.046 1052 HH12 ARG 66 HH12 ARG 66 10.898 27.825 34.572 1053 HH21 ARG 66 HH21 ARG 66 13.469 29.026 36.524 1054 HH22 ARG 66 HH22 ARG 66 11.922 28.222 36.478 Start of MODEL 11 1 H1 GLY -3 H1 GLY -3 23.889 0.811 0.141 2 H2 GLY -3 H2 GLY -3 22.296 1.143 0.308 3 H3 GLY -3 H3 GLY -3 23.411 2.146 0.964 4 HA2 GLY -3 HA2 GLY -3 24.231 2.787 -1.193 5 HA3 GLY -3 HA3 GLY -3 23.046 1.677 -1.920 6 HA PRO -2 HA PRO -2 21.263 6.005 -1.510 7 HB2 PRO -2 HB2 PRO -2 20.551 6.410 -4.142 8 HB3 PRO -2 HB3 PRO -2 22.178 6.750 -3.487 9 HG2 PRO -2 HG2 PRO -2 21.242 4.267 -4.949 10 HG3 PRO -2 HG3 PRO -2 22.716 5.241 -5.251 11 HD2 PRO -2 HD2 PRO -2 22.819 2.972 -3.764 12 HD3 PRO -2 HD3 PRO -2 23.794 4.403 -3.326 13 H GLY -1 H GLY -1 20.033 3.088 -3.132 14 HA2 GLY -1 HA2 GLY -1 17.211 3.751 -2.952 15 HA3 GLY -1 HA3 GLY -1 17.923 2.167 -3.270 16 H SER 0 H SER 0 19.475 2.728 -0.534 17 HA SER 0 HA SER 0 17.697 1.144 1.110 18 HB2 SER 0 HB2 SER 0 20.278 2.533 1.905 19 HB3 SER 0 HB3 SER 0 19.519 1.155 2.705 20 HG SER 0 HG SER 0 19.947 -0.111 0.894 21 H MET 1 H MET 1 17.558 4.409 0.539 22 HA MET 1 HA MET 1 16.086 4.939 3.041 23 HB2 MET 1 HB2 MET 1 17.183 7.053 3.442 24 HB3 MET 1 HB3 MET 1 18.355 5.750 3.464 25 HG2 MET 1 HG2 MET 1 19.419 7.502 2.343 26 HG3 MET 1 HG3 MET 1 19.007 6.333 1.090 27 HE1 MET 1 HE1 MET 1 16.743 9.246 2.796 28 HE2 MET 1 HE2 MET 1 18.396 9.887 2.625 29 HE3 MET 1 HE3 MET 1 17.072 10.532 1.631 30 H CYS 2 H CYS 2 14.858 7.018 2.890 31 HA CYS 2 HA CYS 2 14.179 8.037 0.251 32 HB2 CYS 2 HB2 CYS 2 12.848 5.916 0.416 33 HB3 CYS 2 HB3 CYS 2 12.067 6.553 1.879 34 HG CYS 2 HG CYS 2 10.858 8.527 0.827 35 H MET 3 H MET 3 12.905 9.941 0.352 36 HA MET 3 HA MET 3 13.229 11.651 2.637 37 HB2 MET 3 HB2 MET 3 11.536 11.823 0.102 38 HB3 MET 3 HB3 MET 3 11.541 13.072 1.335 39 HG2 MET 3 HG2 MET 3 13.101 13.877 -0.161 40 HG3 MET 3 HG3 MET 3 14.093 13.155 1.095 41 HE1 MET 3 HE1 MET 3 12.164 11.679 -2.138 42 HE2 MET 3 HE2 MET 3 12.928 13.224 -2.557 43 HE3 MET 3 HE3 MET 3 13.532 11.719 -3.268 44 H ALA 4 H ALA 4 11.691 12.616 3.948 45 HA ALA 4 HA ALA 4 9.423 10.967 4.862 46 HB1 ALA 4 HB1 ALA 4 10.970 11.994 6.484 47 HB2 ALA 4 HB2 ALA 4 10.600 13.612 5.837 48 HB3 ALA 4 HB3 ALA 4 9.359 12.671 6.677 49 H LYS 5 H LYS 5 7.423 12.325 5.496 50 HA LYS 5 HA LYS 5 6.888 14.602 3.665 51 HB2 LYS 5 HB2 LYS 5 4.583 14.052 3.366 52 HB3 LYS 5 HB3 LYS 5 5.565 12.688 2.826 53 HG2 LYS 5 HG2 LYS 5 4.996 11.425 4.856 54 HG3 LYS 5 HG3 LYS 5 4.147 12.832 5.526 55 HD2 LYS 5 HD2 LYS 5 2.567 12.801 3.604 56 HD3 LYS 5 HD3 LYS 5 3.363 11.341 2.985 57 HE2 LYS 5 HE2 LYS 5 2.731 10.094 4.981 58 HE3 LYS 5 HE3 LYS 5 2.120 11.564 5.762 59 HZ1 LYS 5 HZ1 LYS 5 0.976 10.366 3.298 60 HZ2 LYS 5 HZ2 LYS 5 0.315 10.259 4.788 61 HZ3 LYS 5 HZ3 LYS 5 0.424 11.718 4.038 62 H VAL 6 H VAL 6 5.673 16.280 4.505 63 HA VAL 6 HA VAL 6 5.522 16.431 7.496 64 HB VAL 6 HB VAL 6 5.758 18.573 5.377 65 HG11 VAL 6 HG11 VAL 6 5.781 20.231 7.205 66 HG12 VAL 6 HG12 VAL 6 4.203 19.486 7.027 67 HG13 VAL 6 HG13 VAL 6 5.284 18.970 8.353 68 HG21 VAL 6 HG21 VAL 6 7.811 19.140 6.512 69 HG22 VAL 6 HG22 VAL 6 7.477 17.959 7.792 70 HG23 VAL 6 HG23 VAL 6 7.854 17.407 6.151 71 H VAL 7 H VAL 7 3.597 16.930 8.521 72 HA VAL 7 HA VAL 7 1.214 17.586 6.890 73 HB VAL 7 HB VAL 7 1.100 15.188 7.226 74 HG11 VAL 7 HG11 VAL 7 1.047 15.738 10.218 75 HG12 VAL 7 HG12 VAL 7 0.788 14.172 9.420 76 HG13 VAL 7 HG13 VAL 7 2.369 14.957 9.329 77 HG21 VAL 7 HG21 VAL 7 -0.971 16.563 8.996 78 HG22 VAL 7 HG22 VAL 7 -1.005 16.570 7.222 79 HG23 VAL 7 HG23 VAL 7 -1.143 15.040 8.118 80 H LEU 8 H LEU 8 -0.193 18.978 7.750 81 HA LEU 8 HA LEU 8 0.032 19.879 10.558 82 HB2 LEU 8 HB2 LEU 8 0.243 22.205 9.943 83 HB3 LEU 8 HB3 LEU 8 1.634 21.296 9.407 84 HG LEU 8 HG LEU 8 -0.582 21.729 7.403 85 HD11 LEU 8 HD11 LEU 8 0.248 23.924 6.786 86 HD12 LEU 8 HD12 LEU 8 -0.381 23.939 8.439 87 HD13 LEU 8 HD13 LEU 8 1.377 23.915 8.162 88 HD21 LEU 8 HD21 LEU 8 1.317 21.998 5.842 89 HD22 LEU 8 HD22 LEU 8 2.457 21.884 7.191 90 HD23 LEU 8 HD23 LEU 8 1.475 20.483 6.734 91 H THR 9 H THR 9 -1.755 21.183 11.269 92 HA THR 9 HA THR 9 -4.276 20.715 9.717 93 HB THR 9 HB THR 9 -4.082 20.944 12.724 94 HG1 THR 9 HG1 THR 9 -3.007 19.105 12.084 95 HG21 THR 9 HG21 THR 9 -6.329 21.378 11.769 96 HG22 THR 9 HG22 THR 9 -6.241 19.849 10.870 97 HG23 THR 9 HG23 THR 9 -6.295 19.841 12.641 98 H LYS 10 H LYS 10 -5.597 22.327 9.310 99 HA LYS 10 HA LYS 10 -4.732 25.107 9.814 100 HB2 LYS 10 HB2 LYS 10 -6.874 23.876 8.035 101 HB3 LYS 10 HB3 LYS 10 -6.519 25.618 8.116 102 HG2 LYS 10 HG2 LYS 10 -4.141 25.081 7.473 103 HG3 LYS 10 HG3 LYS 10 -4.632 23.418 7.182 104 HD2 LYS 10 HD2 LYS 10 -5.800 25.857 5.746 105 HD3 LYS 10 HD3 LYS 10 -4.491 24.851 5.153 106 HE2 LYS 10 HE2 LYS 10 -6.144 23.803 4.041 107 HE3 LYS 10 HE3 LYS 10 -6.218 22.855 5.524 108 HZ1 LYS 10 HZ1 LYS 10 -8.421 23.644 4.763 109 HZ2 LYS 10 HZ2 LYS 10 -8.121 24.287 6.229 110 HZ3 LYS 10 HZ3 LYS 10 -7.965 25.189 4.887 111 H ALA 11 H ALA 11 -6.296 26.767 10.337 112 HA ALA 11 HA ALA 11 -7.644 26.301 12.786 113 HB1 ALA 11 HB1 ALA 11 -6.620 28.443 12.115 114 HB2 ALA 11 HB2 ALA 11 -7.848 28.640 10.837 115 HB3 ALA 11 HB3 ALA 11 -8.330 28.665 12.540 116 H ASP 12 H ASP 12 -8.905 26.091 9.486 117 HA ASP 12 HA ASP 12 -11.712 26.036 10.336 118 HB2 ASP 12 HB2 ASP 12 -12.210 25.719 8.011 119 HB3 ASP 12 HB3 ASP 12 -11.075 27.042 8.200 120 H GLY 13 H GLY 13 -9.317 23.818 10.761 121 HA2 GLY 13 HA2 GLY 13 -9.500 21.647 11.574 122 HA3 GLY 13 HA3 GLY 13 -11.172 21.547 11.009 123 H GLY 14 H GLY 14 -9.386 22.647 8.378 124 HA2 GLY 14 HA2 GLY 14 -9.255 20.011 7.077 125 HA3 GLY 14 HA3 GLY 14 -8.765 21.564 6.388 126 H ARG 15 H ARG 15 -7.183 19.434 5.902 127 HA ARG 15 HA ARG 15 -4.696 20.061 7.443 128 HB2 ARG 15 HB2 ARG 15 -5.782 17.313 6.734 129 HB3 ARG 15 HB3 ARG 15 -4.060 17.607 6.994 130 HG2 ARG 15 HG2 ARG 15 -4.536 18.566 9.212 131 HG3 ARG 15 HG3 ARG 15 -6.267 18.210 9.014 132 HD2 ARG 15 HD2 ARG 15 -5.847 15.846 9.039 133 HD3 ARG 15 HD3 ARG 15 -4.088 16.092 8.880 134 HE ARG 15 HE ARG 15 -4.706 17.481 11.171 135 HH11 ARG 15 HH11 ARG 15 -5.119 14.112 10.306 136 HH12 ARG 15 HH12 ARG 15 -4.943 13.583 11.961 137 HH21 ARG 15 HH21 ARG 15 -4.494 16.775 13.200 138 HH22 ARG 15 HH22 ARG 15 -4.616 15.072 13.574 139 H VAL 16 H VAL 16 -2.771 19.844 6.457 140 HA VAL 16 HA VAL 16 -2.694 19.818 3.474 141 HB VAL 16 HB VAL 16 -1.338 21.847 5.285 142 HG11 VAL 16 HG11 VAL 16 -1.132 21.540 2.264 143 HG12 VAL 16 HG12 VAL 16 -0.508 22.904 3.214 144 HG13 VAL 16 HG13 VAL 16 0.179 21.293 3.449 145 HG21 VAL 16 HG21 VAL 16 -3.506 22.194 3.169 146 HG22 VAL 16 HG22 VAL 16 -3.678 22.417 4.924 147 HG23 VAL 16 HG23 VAL 16 -2.662 23.517 4.003 148 H GLU 17 H GLU 17 -0.940 18.856 2.598 149 HA GLU 17 HA GLU 17 1.126 17.706 4.404 150 HB2 GLU 17 HB2 GLU 17 -0.333 16.203 2.190 151 HB3 GLU 17 HB3 GLU 17 1.086 15.612 3.065 152 HG2 GLU 17 HG2 GLU 17 -0.156 15.639 5.179 153 HG3 GLU 17 HG3 GLU 17 -1.586 16.288 4.372 154 H ILE 18 H ILE 18 3.169 17.504 3.565 155 HA ILE 18 HA ILE 18 3.690 18.421 0.761 156 HB ILE 18 HB ILE 18 5.417 19.136 3.163 157 HG12 ILE 18 HG12 ILE 18 4.689 21.550 2.107 158 HG13 ILE 18 HG13 ILE 18 3.223 20.642 1.759 159 HG21 ILE 18 HG21 ILE 18 5.615 19.947 0.233 160 HG22 ILE 18 HG22 ILE 18 6.688 20.464 1.547 161 HG23 ILE 18 HG23 ILE 18 6.667 18.773 1.049 162 HD11 ILE 18 HD11 ILE 18 3.126 20.042 4.245 163 HD12 ILE 18 HD12 ILE 18 4.536 21.098 4.474 164 HD13 ILE 18 HD13 ILE 18 3.001 21.768 3.889 165 H GLY 19 H GLY 19 4.322 16.658 -0.282 166 HA2 GLY 19 HA2 GLY 19 5.573 14.372 1.078 167 HA3 GLY 19 HA3 GLY 19 5.084 14.468 -0.611 168 H ASP 20 H ASP 20 7.437 13.299 0.193 169 HA ASP 20 HA ASP 20 9.638 13.160 -0.239 170 HB2 ASP 20 HB2 ASP 20 8.817 14.817 -2.621 171 HB3 ASP 20 HB3 ASP 20 10.294 13.860 -2.497 172 H VAL 21 H VAL 21 9.477 14.770 1.738 173 HA VAL 21 HA VAL 21 10.833 17.336 1.399 174 HB VAL 21 HB VAL 21 9.817 15.789 3.793 175 HG11 VAL 21 HG11 VAL 21 10.198 17.856 5.102 176 HG12 VAL 21 HG12 VAL 21 11.690 17.051 4.659 177 HG13 VAL 21 HG13 VAL 21 11.174 18.505 3.766 178 HG21 VAL 21 HG21 VAL 21 8.939 18.388 2.447 179 HG22 VAL 21 HG22 VAL 21 8.127 16.827 2.290 180 HG23 VAL 21 HG23 VAL 21 8.161 17.630 3.850 181 H LEU 22 H LEU 22 12.908 17.752 1.477 182 HA LEU 22 HA LEU 22 14.918 15.688 2.129 183 HB2 LEU 22 HB2 LEU 22 15.165 18.617 1.293 184 HB3 LEU 22 HB3 LEU 22 16.510 17.506 1.521 185 HG LEU 22 HG LEU 22 14.365 17.268 -0.622 186 HD11 LEU 22 HD11 LEU 22 15.968 19.115 -0.999 187 HD12 LEU 22 HD12 LEU 22 17.328 17.999 -0.734 188 HD13 LEU 22 HD13 LEU 22 16.274 17.804 -2.145 189 HD21 LEU 22 HD21 LEU 22 15.800 15.497 -1.572 190 HD22 LEU 22 HD22 LEU 22 16.894 15.604 -0.173 191 HD23 LEU 22 HD23 LEU 22 15.225 15.036 0.033 192 H GLU 23 H GLU 23 13.580 18.724 3.585 193 HA GLU 23 HA GLU 23 14.845 18.022 6.133 194 HB2 GLU 23 HB2 GLU 23 16.705 19.065 4.940 195 HB3 GLU 23 HB3 GLU 23 15.733 20.492 4.603 196 HG2 GLU 23 HG2 GLU 23 15.711 21.112 6.943 197 HG3 GLU 23 HG3 GLU 23 16.325 19.521 7.421 198 H VAL 24 H VAL 24 14.080 19.104 7.896 199 HA VAL 24 HA VAL 24 12.088 21.286 7.562 200 HB VAL 24 HB VAL 24 11.750 18.937 9.451 201 HG11 VAL 24 HG11 VAL 24 10.753 20.998 10.368 202 HG12 VAL 24 HG12 VAL 24 9.897 21.278 8.840 203 HG13 VAL 24 HG13 VAL 24 9.484 19.888 9.854 204 HG21 VAL 24 HG21 VAL 24 9.761 18.375 8.074 205 HG22 VAL 24 HG22 VAL 24 10.263 19.605 6.901 206 HG23 VAL 24 HG23 VAL 24 11.283 18.175 7.213 207 H ARG 25 H ARG 25 12.240 22.885 9.126 208 HA ARG 25 HA ARG 25 13.923 22.469 11.540 209 HB2 ARG 25 HB2 ARG 25 14.280 24.798 9.606 210 HB3 ARG 25 HB3 ARG 25 14.998 24.682 11.224 211 HG2 ARG 25 HG2 ARG 25 16.153 22.565 10.509 212 HG3 ARG 25 HG3 ARG 25 15.566 22.841 8.862 213 HD2 ARG 25 HD2 ARG 25 16.742 25.050 8.867 214 HD3 ARG 25 HD3 ARG 25 17.422 24.651 10.462 215 HE ARG 25 HE ARG 25 17.972 22.513 8.606 216 HH11 ARG 25 HH11 ARG 25 19.107 25.774 9.214 217 HH12 ARG 25 HH12 ARG 25 20.618 25.474 8.395 218 HH21 ARG 25 HH21 ARG 25 19.744 22.229 7.569 219 HH22 ARG 25 HH22 ARG 25 20.996 23.464 7.468 220 H ALA 26 H ALA 26 13.409 23.734 13.297 221 HA ALA 26 HA ALA 26 10.881 25.324 13.133 222 HB1 ALA 26 HB1 ALA 26 11.858 23.528 15.387 223 HB2 ALA 26 HB2 ALA 26 10.386 24.533 15.417 224 HB3 ALA 26 HB3 ALA 26 10.516 23.193 14.273 225 H GLU 27 H GLU 27 11.154 27.398 13.600 226 HA GLU 27 HA GLU 27 13.269 28.409 15.391 227 HB2 GLU 27 HB2 GLU 27 14.577 27.893 13.417 228 HB3 GLU 27 HB3 GLU 27 13.399 28.634 12.356 229 HG2 GLU 27 HG2 GLU 27 15.440 29.966 12.608 230 HG3 GLU 27 HG3 GLU 27 13.993 30.844 13.081 231 H GLY 28 H GLY 28 12.701 30.342 16.261 232 HA2 GLY 28 HA2 GLY 28 11.717 32.364 16.602 233 HA3 GLY 28 HA3 GLY 28 11.579 32.507 14.847 234 H GLY 29 H GLY 29 9.895 29.968 16.667 235 HA2 GLY 29 HA2 GLY 29 7.644 29.599 17.101 236 HA3 GLY 29 HA3 GLY 29 7.308 31.309 16.802 237 H ALA 30 H ALA 30 8.956 29.334 14.390 238 HA ALA 30 HA ALA 30 6.503 28.825 12.815 239 HB1 ALA 30 HB1 ALA 30 8.943 30.355 11.802 240 HB2 ALA 30 HB2 ALA 30 7.540 29.870 10.824 241 HB3 ALA 30 HB3 ALA 30 7.348 31.067 12.123 242 H VAL 31 H VAL 31 6.840 27.291 11.094 243 HA VAL 31 HA VAL 31 9.356 25.653 11.315 244 HB VAL 31 HB VAL 31 6.549 24.720 10.665 245 HG11 VAL 31 HG11 VAL 31 8.025 23.505 9.144 246 HG12 VAL 31 HG12 VAL 31 9.184 23.191 10.469 247 HG13 VAL 31 HG13 VAL 31 7.573 22.454 10.474 248 HG21 VAL 31 HG21 VAL 31 7.167 24.963 13.070 249 HG22 VAL 31 HG22 VAL 31 6.932 23.274 12.626 250 HG23 VAL 31 HG23 VAL 31 8.581 23.938 12.814 251 H ARG 32 H ARG 32 10.449 25.092 9.533 252 HA ARG 32 HA ARG 32 9.623 26.221 6.885 253 HB2 ARG 32 HB2 ARG 32 12.455 26.203 8.026 254 HB3 ARG 32 HB3 ARG 32 11.950 26.776 6.447 255 HG2 ARG 32 HG2 ARG 32 12.167 28.759 7.568 256 HG3 ARG 32 HG3 ARG 32 10.444 28.466 7.792 257 HD2 ARG 32 HD2 ARG 32 10.902 27.613 10.086 258 HD3 ARG 32 HD3 ARG 32 12.634 27.764 9.826 259 HE ARG 32 HE ARG 32 10.694 29.871 10.464 260 HH11 ARG 32 HH11 ARG 32 13.939 29.351 9.263 261 HH12 ARG 32 HH12 ARG 32 14.461 30.957 9.727 262 HH21 ARG 32 HH21 ARG 32 11.415 31.878 11.030 263 HH22 ARG 32 HH22 ARG 32 13.048 32.349 10.680 264 H VAL 33 H VAL 33 10.132 24.978 5.108 265 HA VAL 33 HA VAL 33 11.166 22.205 5.542 266 HB VAL 33 HB VAL 33 8.639 22.851 4.012 267 HG11 VAL 33 HG11 VAL 33 9.658 20.856 3.124 268 HG12 VAL 33 HG12 VAL 33 9.895 20.212 4.762 269 HG13 VAL 33 HG13 VAL 33 8.261 20.394 4.087 270 HG21 VAL 33 HG21 VAL 33 8.172 23.152 6.416 271 HG22 VAL 33 HG22 VAL 33 7.403 21.685 5.820 272 HG23 VAL 33 HG23 VAL 33 8.909 21.581 6.764 273 H THR 34 H THR 34 12.212 21.268 3.786 274 HA THR 34 HA THR 34 12.275 22.787 1.192 275 HB THR 34 HB THR 34 14.613 21.327 2.463 276 HG1 THR 34 HG1 THR 34 14.204 23.348 3.377 277 HG21 THR 34 HG21 THR 34 14.763 21.141 0.026 278 HG22 THR 34 HG22 THR 34 14.381 22.873 -0.154 279 HG23 THR 34 HG23 THR 34 15.912 22.350 0.589 280 H THR 35 H THR 35 11.659 21.643 -0.545 281 HA THR 35 HA THR 35 11.215 18.700 -0.308 282 HB THR 35 HB THR 35 9.883 18.867 -2.283 283 HG1 THR 35 HG1 THR 35 10.442 21.638 -2.336 284 HG21 THR 35 HG21 THR 35 8.080 20.297 -1.588 285 HG22 THR 35 HG22 THR 35 8.779 19.500 -0.173 286 HG23 THR 35 HG23 THR 35 9.144 21.207 -0.489 287 H LEU 36 H LEU 36 11.612 17.375 -2.311 288 HA LEU 36 HA LEU 36 14.307 17.341 -3.103 289 HB2 LEU 36 HB2 LEU 36 13.766 15.524 -4.410 290 HB3 LEU 36 HB3 LEU 36 12.565 15.473 -3.130 291 HG LEU 36 HG LEU 36 12.118 16.458 -5.998 292 HD11 LEU 36 HD11 LEU 36 12.484 14.027 -5.814 293 HD12 LEU 36 HD12 LEU 36 11.205 13.920 -4.599 294 HD13 LEU 36 HD13 LEU 36 10.821 14.399 -6.262 295 HD21 LEU 36 HD21 LEU 36 10.541 17.635 -4.609 296 HD22 LEU 36 HD22 LEU 36 9.667 16.284 -5.341 297 HD23 LEU 36 HD23 LEU 36 10.212 16.192 -3.652 298 H PHE 37 H PHE 37 11.871 19.408 -4.410 299 HA PHE 37 HA PHE 37 13.189 19.875 -6.979 300 HB2 PHE 37 HB2 PHE 37 11.034 21.489 -5.581 301 HB3 PHE 37 HB3 PHE 37 11.467 21.556 -7.278 302 HD1 PHE 37 HD1 PHE 37 8.970 20.477 -5.182 303 HD2 PHE 37 HD2 PHE 37 11.424 18.990 -8.404 304 HE1 PHE 37 HE1 PHE 37 7.236 18.785 -5.728 305 HE2 PHE 37 HE2 PHE 37 9.677 17.302 -8.942 306 HZ PHE 37 HZ PHE 37 7.588 17.197 -7.607 307 H ASP 38 H ASP 38 14.118 20.678 -3.912 308 HA ASP 38 HA ASP 38 15.203 22.248 -2.817 309 HB2 ASP 38 HB2 ASP 38 15.985 23.611 -5.409 310 HB3 ASP 38 HB3 ASP 38 16.707 23.824 -3.827 311 H GLU 39 H GLU 39 12.333 22.649 -3.956 312 HA GLU 39 HA GLU 39 11.892 25.513 -3.627 313 HB2 GLU 39 HB2 GLU 39 10.456 24.207 -5.110 314 HB3 GLU 39 HB3 GLU 39 9.938 23.179 -3.767 315 HG2 GLU 39 HG2 GLU 39 8.828 25.048 -2.673 316 HG3 GLU 39 HG3 GLU 39 9.532 26.193 -3.829 317 H GLU 40 H GLU 40 11.483 26.594 -1.810 318 HA GLU 40 HA GLU 40 11.380 25.130 0.770 319 HB2 GLU 40 HB2 GLU 40 11.919 28.045 0.102 320 HB3 GLU 40 HB3 GLU 40 11.821 27.384 1.750 321 HG2 GLU 40 HG2 GLU 40 13.730 25.926 1.355 322 HG3 GLU 40 HG3 GLU 40 13.804 26.412 -0.340 323 H HIS 41 H HIS 41 9.869 25.476 2.308 324 HA HIS 41 HA HIS 41 7.491 27.213 1.769 325 HB2 HIS 41 HB2 HIS 41 7.343 24.424 2.976 326 HB3 HIS 41 HB3 HIS 41 6.002 25.525 2.687 327 HD2 HIS 41 HD2 HIS 41 7.911 22.724 1.110 328 HE1 HIS 41 HE1 HIS 41 5.534 24.315 -2.041 329 HE2 HIS 41 HE2 HIS 41 7.035 22.390 -1.353 330 H ALA 42 H ALA 42 6.440 27.975 3.680 331 HA ALA 42 HA ALA 42 7.759 27.465 6.259 332 HB1 ALA 42 HB1 ALA 42 8.009 29.854 6.779 333 HB2 ALA 42 HB2 ALA 42 8.990 29.398 5.380 334 HB3 ALA 42 HB3 ALA 42 7.463 30.286 5.150 335 H PHE 43 H PHE 43 6.557 27.758 8.023 336 HA PHE 43 HA PHE 43 3.625 28.288 7.740 337 HB2 PHE 43 HB2 PHE 43 4.892 25.875 9.075 338 HB3 PHE 43 HB3 PHE 43 3.175 26.231 8.903 339 HD1 PHE 43 HD1 PHE 43 2.109 26.218 6.601 340 HD2 PHE 43 HD2 PHE 43 6.138 24.831 7.300 341 HE1 PHE 43 HE1 PHE 43 2.099 25.084 4.396 342 HE2 PHE 43 HE2 PHE 43 6.115 23.704 5.084 343 HZ PHE 43 HZ PHE 43 4.119 23.844 3.624 344 HA PRO 44 HA PRO 44 5.239 30.479 11.468 345 HB2 PRO 44 HB2 PRO 44 3.592 32.669 11.369 346 HB3 PRO 44 HB3 PRO 44 5.087 32.503 10.402 347 HG2 PRO 44 HG2 PRO 44 2.230 31.946 9.543 348 HG3 PRO 44 HG3 PRO 44 3.497 32.879 8.671 349 HD2 PRO 44 HD2 PRO 44 2.952 30.271 8.093 350 HD3 PRO 44 HD3 PRO 44 4.614 30.925 8.002 351 H GLY 45 H GLY 45 4.491 30.549 13.528 352 HA2 GLY 45 HA2 GLY 45 3.041 30.359 15.328 353 HA3 GLY 45 HA3 GLY 45 1.678 30.057 14.245 354 H LEU 46 H LEU 46 4.195 27.980 13.338 355 HA LEU 46 HA LEU 46 3.091 25.749 14.974 356 HB2 LEU 46 HB2 LEU 46 4.460 25.599 12.275 357 HB3 LEU 46 HB3 LEU 46 3.784 24.254 13.186 358 HG LEU 46 HG LEU 46 2.259 26.509 11.824 359 HD11 LEU 46 HD11 LEU 46 2.149 23.481 11.481 360 HD12 LEU 46 HD12 LEU 46 1.350 24.714 10.485 361 HD13 LEU 46 HD13 LEU 46 3.113 24.557 10.465 362 HD21 LEU 46 HD21 LEU 46 1.163 24.255 13.574 363 HD22 LEU 46 HD22 LEU 46 1.061 25.990 13.928 364 HD23 LEU 46 HD23 LEU 46 0.189 25.320 12.544 365 H ALA 47 H ALA 47 4.425 24.008 15.481 366 HA ALA 47 HA ALA 47 7.357 24.239 15.355 367 HB1 ALA 47 HB1 ALA 47 7.583 23.536 17.729 368 HB2 ALA 47 HB2 ALA 47 6.815 25.126 17.587 369 HB3 ALA 47 HB3 ALA 47 5.826 23.688 17.947 370 H ILE 48 H ILE 48 8.357 22.043 15.703 371 HA ILE 48 HA ILE 48 6.771 19.928 14.433 372 HB ILE 48 HB ILE 48 9.542 19.828 15.654 373 HG12 ILE 48 HG12 ILE 48 8.917 19.866 12.668 374 HG13 ILE 48 HG13 ILE 48 9.125 21.369 13.563 375 HG21 ILE 48 HG21 ILE 48 9.791 17.727 14.301 376 HG22 ILE 48 HG22 ILE 48 8.557 17.573 15.536 377 HG23 ILE 48 HG23 ILE 48 8.082 17.841 13.849 378 HD11 ILE 48 HD11 ILE 48 11.212 19.202 13.237 379 HD12 ILE 48 HD12 ILE 48 11.231 20.860 12.588 380 HD13 ILE 48 HD13 ILE 48 11.376 20.601 14.331 381 H GLY 49 H GLY 49 5.446 18.558 15.443 382 HA2 GLY 49 HA2 GLY 49 5.300 18.485 18.401 383 HA3 GLY 49 HA3 GLY 49 4.131 17.850 17.228 384 H ARG 50 H ARG 50 5.573 16.128 15.676 385 HA ARG 50 HA ARG 50 7.366 14.444 17.214 386 HB2 ARG 50 HB2 ARG 50 6.091 12.413 17.287 387 HB3 ARG 50 HB3 ARG 50 5.171 13.655 18.106 388 HG2 ARG 50 HG2 ARG 50 3.668 13.858 16.166 389 HG3 ARG 50 HG3 ARG 50 4.669 12.706 15.255 390 HD2 ARG 50 HD2 ARG 50 4.222 11.035 17.140 391 HD3 ARG 50 HD3 ARG 50 2.983 12.143 17.732 392 HE ARG 50 HE ARG 50 1.925 11.941 15.426 393 HH11 ARG 50 HH11 ARG 50 3.745 9.150 16.694 394 HH12 ARG 50 HH12 ARG 50 3.260 8.205 15.286 395 HH21 ARG 50 HH21 ARG 50 1.278 10.499 13.848 396 HH22 ARG 50 HH22 ARG 50 1.880 8.861 13.899 397 H VAL 51 H VAL 51 8.199 12.610 16.016 398 HA VAL 51 HA VAL 51 7.618 12.647 13.099 399 HB VAL 51 HB VAL 51 10.428 12.114 14.087 400 HG11 VAL 51 HG11 VAL 51 9.841 11.045 11.986 401 HG12 VAL 51 HG12 VAL 51 9.221 12.573 11.342 402 HG13 VAL 51 HG13 VAL 51 10.960 12.368 11.682 403 HG21 VAL 51 HG21 VAL 51 11.041 14.303 13.058 404 HG22 VAL 51 HG22 VAL 51 9.315 14.705 12.931 405 HG23 VAL 51 HG23 VAL 51 10.075 14.486 14.524 406 H ASP 52 H ASP 52 7.035 10.742 12.367 407 HA ASP 52 HA ASP 52 7.330 8.320 14.109 408 HB2 ASP 52 HB2 ASP 52 5.068 9.418 13.818 409 HB3 ASP 52 HB3 ASP 52 5.114 8.916 12.127 410 H LEU 53 H LEU 53 9.240 7.566 13.235 411 HA LEU 53 HA LEU 53 9.851 7.505 10.418 412 HB2 LEU 53 HB2 LEU 53 11.175 6.096 12.769 413 HB3 LEU 53 HB3 LEU 53 11.823 6.216 11.145 414 HG LEU 53 HG LEU 53 13.031 7.715 12.470 415 HD11 LEU 53 HD11 LEU 53 12.501 8.540 10.224 416 HD12 LEU 53 HD12 LEU 53 11.066 9.382 10.857 417 HD13 LEU 53 HD13 LEU 53 12.691 9.869 11.386 418 HD21 LEU 53 HD21 LEU 53 12.214 9.499 13.807 419 HD22 LEU 53 HD22 LEU 53 10.537 9.216 13.326 420 HD23 LEU 53 HD23 LEU 53 11.399 8.014 14.327 421 H ARG 54 H ARG 54 7.912 5.434 12.323 422 HA ARG 54 HA ARG 54 8.169 2.935 10.902 423 HB2 ARG 54 HB2 ARG 54 5.636 4.173 12.049 424 HB3 ARG 54 HB3 ARG 54 5.930 2.467 11.746 425 HG2 ARG 54 HG2 ARG 54 7.652 2.429 13.543 426 HG3 ARG 54 HG3 ARG 54 7.345 4.156 13.850 427 HD2 ARG 54 HD2 ARG 54 4.880 3.515 14.181 428 HD3 ARG 54 HD3 ARG 54 5.404 1.833 14.188 429 HE ARG 54 HE ARG 54 6.408 2.126 16.286 430 HH11 ARG 54 HH11 ARG 54 5.377 5.341 15.191 431 HH12 ARG 54 HH12 ARG 54 5.235 5.864 16.879 432 HH21 ARG 54 HH21 ARG 54 6.388 3.119 18.340 433 HH22 ARG 54 HH22 ARG 54 5.877 4.805 18.435 434 H SER 55 H SER 55 6.637 5.965 10.077 435 HA SER 55 HA SER 55 5.816 4.904 7.393 436 HB2 SER 55 HB2 SER 55 4.203 6.786 9.145 437 HB3 SER 55 HB3 SER 55 3.742 6.213 7.537 438 HG SER 55 HG SER 55 3.545 4.121 8.346 439 H GLY 56 H GLY 56 7.831 7.095 8.870 440 HA2 GLY 56 HA2 GLY 56 9.108 8.807 8.033 441 HA3 GLY 56 HA3 GLY 56 8.403 8.520 6.437 442 H VAL 57 H VAL 57 6.563 9.398 9.368 443 HA VAL 57 HA VAL 57 5.566 11.831 7.923 444 HB VAL 57 HB VAL 57 4.300 10.305 10.218 445 HG11 VAL 57 HG11 VAL 57 2.301 11.686 9.681 446 HG12 VAL 57 HG12 VAL 57 3.625 12.675 10.281 447 HG13 VAL 57 HG13 VAL 57 3.275 12.636 8.535 448 HG21 VAL 57 HG21 VAL 57 4.210 9.012 8.120 449 HG22 VAL 57 HG22 VAL 57 2.612 9.643 8.516 450 HG23 VAL 57 HG23 VAL 57 3.600 10.437 7.254 451 H ILE 58 H ILE 58 6.232 13.736 8.513 452 HA ILE 58 HA ILE 58 7.146 14.327 11.312 453 HB ILE 58 HB ILE 58 7.446 15.784 8.668 454 HG12 ILE 58 HG12 ILE 58 9.576 14.748 10.586 455 HG13 ILE 58 HG13 ILE 58 8.982 13.827 9.202 456 HG21 ILE 58 HG21 ILE 58 8.725 17.515 9.955 457 HG22 ILE 58 HG22 ILE 58 7.021 17.512 10.309 458 HG23 ILE 58 HG23 ILE 58 8.182 16.775 11.463 459 HD11 ILE 58 HD11 ILE 58 9.737 15.718 7.702 460 HD12 ILE 58 HD12 ILE 58 10.560 16.403 9.141 461 HD13 ILE 58 HD13 ILE 58 11.007 14.807 8.528 462 H SER 59 H SER 59 5.560 14.961 12.642 463 HA SER 59 HA SER 59 3.082 16.203 11.523 464 HB2 SER 59 HB2 SER 59 2.868 14.099 12.856 465 HB3 SER 59 HB3 SER 59 3.594 14.949 14.231 466 HG SER 59 HG SER 59 1.275 14.968 14.285 467 H LEU 60 H LEU 60 2.738 18.311 11.790 468 HA LEU 60 HA LEU 60 4.329 19.853 13.778 469 HB2 LEU 60 HB2 LEU 60 2.635 20.913 11.512 470 HB3 LEU 60 HB3 LEU 60 3.790 21.792 12.505 471 HG LEU 60 HG LEU 60 4.391 19.676 10.402 472 HD11 LEU 60 HD11 LEU 60 5.055 22.645 10.634 473 HD12 LEU 60 HD12 LEU 60 5.574 21.563 9.316 474 HD13 LEU 60 HD13 LEU 60 3.862 21.917 9.547 475 HD21 LEU 60 HD21 LEU 60 6.034 19.339 12.177 476 HD22 LEU 60 HD22 LEU 60 6.797 20.169 10.826 477 HD23 LEU 60 HD23 LEU 60 6.330 21.089 12.279 478 H ILE 61 H ILE 61 3.415 21.335 15.148 479 HA ILE 61 HA ILE 61 0.497 21.280 15.704 480 HB ILE 61 HB ILE 61 0.925 21.107 18.120 481 HG12 ILE 61 HG12 ILE 61 3.112 19.850 18.768 482 HG13 ILE 61 HG13 ILE 61 3.817 20.575 17.331 483 HG21 ILE 61 HG21 ILE 61 1.911 18.680 16.579 484 HG22 ILE 61 HG22 ILE 61 1.156 18.696 18.184 485 HG23 ILE 61 HG23 ILE 61 0.216 19.166 16.766 486 HD11 ILE 61 HD11 ILE 61 4.292 21.792 19.445 487 HD12 ILE 61 HD12 ILE 61 3.442 22.822 18.288 488 HD13 ILE 61 HD13 ILE 61 2.566 22.102 19.656 489 H GLU 62 H GLU 62 -0.182 23.127 17.134 490 HA GLU 62 HA GLU 62 1.090 25.589 16.248 491 HB2 GLU 62 HB2 GLU 62 -1.127 25.101 18.274 492 HB3 GLU 62 HB3 GLU 62 -0.565 26.687 17.716 493 HG2 GLU 62 HG2 GLU 62 -1.122 26.001 15.359 494 HG3 GLU 62 HG3 GLU 62 -1.815 24.506 15.986 495 H GLU 63 H GLU 63 2.529 26.876 17.232 496 HA GLU 63 HA GLU 63 3.978 25.876 19.546 497 HB2 GLU 63 HB2 GLU 63 5.548 27.573 19.114 498 HB3 GLU 63 HB3 GLU 63 4.992 26.964 17.574 499 HG2 GLU 63 HG2 GLU 63 4.848 29.108 16.985 500 HG3 GLU 63 HG3 GLU 63 3.274 29.042 17.761 501 H GLN 64 H GLN 64 1.266 27.975 19.251 502 HA GLN 64 HA GLN 64 1.488 28.919 22.041 503 HB2 GLN 64 HB2 GLN 64 -0.661 29.287 19.914 504 HB3 GLN 64 HB3 GLN 64 -0.798 29.940 21.539 505 HG2 GLN 64 HG2 GLN 64 1.397 30.669 19.540 506 HG3 GLN 64 HG3 GLN 64 -0.034 31.634 19.898 507 HE21 GLN 64 HE21 GLN 64 3.142 31.756 20.466 508 HE22 GLN 64 HE22 GLN 64 3.122 32.437 22.098 509 H ASN 65 H ASN 65 0.979 26.133 20.891 510 HA ASN 65 HA ASN 65 -0.146 24.180 21.351 511 HB2 ASN 65 HB2 ASN 65 0.346 25.285 24.130 512 HB3 ASN 65 HB3 ASN 65 0.097 23.583 23.734 513 HD21 ASN 65 HD21 ASN 65 1.993 24.163 21.163 514 HD22 ASN 65 HD22 ASN 65 3.538 23.991 21.964 515 H ARG 66 H ARG 66 -2.074 25.946 20.569 516 HA ARG 66 HA ARG 66 -4.311 26.208 22.357 517 HB2 ARG 66 HB2 ARG 66 -4.263 26.255 19.310 518 HB3 ARG 66 HB3 ARG 66 -5.601 26.779 20.340 519 HG2 ARG 66 HG2 ARG 66 -4.018 28.484 21.391 520 HG3 ARG 66 HG3 ARG 66 -2.845 28.056 20.125 521 HD2 ARG 66 HD2 ARG 66 -4.630 28.657 18.408 522 HD3 ARG 66 HD3 ARG 66 -5.651 29.173 19.737 523 HE ARG 66 HE ARG 66 -4.303 31.064 20.082 524 HH11 ARG 66 HH11 ARG 66 -1.937 32.402 18.013 525 HH12 ARG 66 HH12 ARG 66 -3.018 32.681 19.351 526 HH21 ARG 66 HH21 ARG 66 -2.804 29.106 17.544 527 HH22 ARG 66 HH22 ARG 66 -1.836 30.461 17.012 528 H1 GLY -3 H1 GLY -3 16.137 -4.854 -6.218 529 H2 GLY -3 H2 GLY -3 15.362 -6.260 -5.917 530 H3 GLY -3 H3 GLY -3 15.527 -5.140 -4.728 531 HA2 GLY -3 HA2 GLY -3 13.920 -4.831 -7.183 532 HA3 GLY -3 HA3 GLY -3 13.279 -5.129 -5.561 533 HA PRO -2 HA PRO -2 13.167 -0.563 -6.324 534 HB2 PRO -2 HB2 PRO -2 10.755 -0.918 -4.557 535 HB3 PRO -2 HB3 PRO -2 10.958 0.113 -6.006 536 HG2 PRO -2 HG2 PRO -2 9.610 -2.227 -6.187 537 HG3 PRO -2 HG3 PRO -2 10.785 -1.776 -7.466 538 HD2 PRO -2 HD2 PRO -2 11.192 -3.628 -5.092 539 HD3 PRO -2 HD3 PRO -2 11.616 -3.907 -6.805 540 H GLY -1 H GLY -1 13.410 1.266 -4.905 541 HA2 GLY -1 HA2 GLY -1 14.865 0.799 -2.446 542 HA3 GLY -1 HA3 GLY -1 14.413 2.361 -3.125 543 H SER 0 H SER 0 14.348 2.036 -0.430 544 HA SER 0 HA SER 0 11.515 2.408 0.267 545 HB2 SER 0 HB2 SER 0 11.930 -0.084 0.387 546 HB3 SER 0 HB3 SER 0 13.125 0.234 1.661 547 HG SER 0 HG SER 0 10.302 0.602 1.682 548 H MET 1 H MET 1 11.221 3.105 2.531 549 HA MET 1 HA MET 1 13.240 5.046 3.363 550 HB2 MET 1 HB2 MET 1 11.642 5.755 4.995 551 HB3 MET 1 HB3 MET 1 10.793 5.494 3.476 552 HG2 MET 1 HG2 MET 1 9.982 3.295 4.328 553 HG3 MET 1 HG3 MET 1 10.847 3.568 5.833 554 HE1 MET 1 HE1 MET 1 7.061 5.886 4.467 555 HE2 MET 1 HE2 MET 1 8.617 6.168 3.666 556 HE3 MET 1 HE3 MET 1 7.837 4.566 3.573 557 H CYS 2 H CYS 2 13.866 5.210 5.696 558 HA CYS 2 HA CYS 2 14.231 2.681 7.159 559 HB2 CYS 2 HB2 CYS 2 16.649 2.892 7.289 560 HB3 CYS 2 HB3 CYS 2 16.152 2.829 5.589 561 HG CYS 2 HG CYS 2 17.006 5.438 7.461 562 H MET 3 H MET 3 15.221 3.057 9.333 563 HA MET 3 HA MET 3 13.945 5.264 10.695 564 HB2 MET 3 HB2 MET 3 15.978 3.194 11.646 565 HB3 MET 3 HB3 MET 3 15.293 4.459 12.659 566 HG2 MET 3 HG2 MET 3 13.975 2.616 13.122 567 HG3 MET 3 HG3 MET 3 12.987 3.618 12.073 568 HE1 MET 3 HE1 MET 3 14.760 0.273 12.704 569 HE2 MET 3 HE2 MET 3 14.813 -0.535 11.114 570 HE3 MET 3 HE3 MET 3 15.868 0.861 11.434 571 H ALA 4 H ALA 4 14.794 7.032 11.677 572 HA ALA 4 HA ALA 4 17.292 8.196 10.643 573 HB1 ALA 4 HB1 ALA 4 16.462 10.202 11.848 574 HB2 ALA 4 HB2 ALA 4 15.230 9.534 10.778 575 HB3 ALA 4 HB3 ALA 4 15.133 9.234 12.526 576 H LYS 5 H LYS 5 18.482 9.498 12.471 577 HA LYS 5 HA LYS 5 18.609 8.063 15.081 578 HB2 LYS 5 HB2 LYS 5 21.004 8.350 15.250 579 HB3 LYS 5 HB3 LYS 5 20.594 7.338 13.877 580 HG2 LYS 5 HG2 LYS 5 20.946 9.284 12.343 581 HG3 LYS 5 HG3 LYS 5 21.420 10.270 13.744 582 HD2 LYS 5 HD2 LYS 5 23.293 8.693 14.204 583 HD3 LYS 5 HD3 LYS 5 22.798 7.698 12.823 584 HE2 LYS 5 HE2 LYS 5 23.145 9.654 11.307 585 HE3 LYS 5 HE3 LYS 5 23.706 10.603 12.700 586 HZ1 LYS 5 HZ1 LYS 5 25.577 9.666 11.490 587 HZ2 LYS 5 HZ2 LYS 5 25.513 8.988 12.974 588 HZ3 LYS 5 HZ3 LYS 5 25.008 8.144 11.660 589 H VAL 6 H VAL 6 18.861 9.298 16.870 590 HA VAL 6 HA VAL 6 18.259 12.199 16.526 591 HB VAL 6 HB VAL 6 17.894 10.486 19.000 592 HG11 VAL 6 HG11 VAL 6 16.890 13.272 18.302 593 HG12 VAL 6 HG12 VAL 6 16.378 12.322 19.719 594 HG13 VAL 6 HG13 VAL 6 18.044 12.845 19.589 595 HG21 VAL 6 HG21 VAL 6 15.459 10.565 18.473 596 HG22 VAL 6 HG22 VAL 6 15.837 11.306 16.905 597 HG23 VAL 6 HG23 VAL 6 16.385 9.651 17.297 598 H VAL 7 H VAL 7 19.515 13.771 17.425 599 HA VAL 7 HA VAL 7 21.668 13.041 19.317 600 HB VAL 7 HB VAL 7 22.776 13.216 17.176 601 HG11 VAL 7 HG11 VAL 7 22.910 15.319 15.925 602 HG12 VAL 7 HG12 VAL 7 21.243 14.728 15.967 603 HG13 VAL 7 HG13 VAL 7 21.736 16.083 17.007 604 HG21 VAL 7 HG21 VAL 7 23.917 14.071 19.257 605 HG22 VAL 7 HG22 VAL 7 24.501 14.785 17.743 606 HG23 VAL 7 HG23 VAL 7 23.427 15.715 18.784 607 H LEU 8 H LEU 8 22.053 14.483 20.921 608 HA LEU 8 HA LEU 8 20.638 17.084 20.945 609 HB2 LEU 8 HB2 LEU 8 19.666 16.722 23.104 610 HB3 LEU 8 HB3 LEU 8 19.184 15.427 22.037 611 HG LEU 8 HG LEU 8 21.330 14.223 23.178 612 HD11 LEU 8 HD11 LEU 8 20.203 16.037 25.349 613 HD12 LEU 8 HD12 LEU 8 21.297 14.672 25.623 614 HD13 LEU 8 HD13 LEU 8 21.857 16.090 24.719 615 HD21 LEU 8 HD21 LEU 8 19.062 13.299 23.069 616 HD22 LEU 8 HD22 LEU 8 19.763 13.084 24.676 617 HD23 LEU 8 HD23 LEU 8 18.546 14.346 24.398 618 H THR 9 H THR 9 21.566 18.655 22.313 619 HA THR 9 HA THR 9 24.363 18.063 23.205 620 HB THR 9 HB THR 9 23.299 20.801 22.475 621 HG1 THR 9 HG1 THR 9 23.293 19.503 20.646 622 HG21 THR 9 HG21 THR 9 26.121 19.680 22.790 623 HG22 THR 9 HG22 THR 9 25.714 21.322 22.248 624 HG23 THR 9 HG23 THR 9 25.309 20.813 23.898 625 H LYS 10 H LYS 10 24.866 18.280 25.240 626 HA LYS 10 HA LYS 10 22.852 18.911 27.298 627 HB2 LYS 10 HB2 LYS 10 25.770 18.092 27.408 628 HB3 LYS 10 HB3 LYS 10 24.716 18.237 28.821 629 HG2 LYS 10 HG2 LYS 10 23.248 16.446 27.878 630 HG3 LYS 10 HG3 LYS 10 24.377 16.229 26.534 631 HD2 LYS 10 HD2 LYS 10 25.151 15.976 29.483 632 HD3 LYS 10 HD3 LYS 10 24.675 14.602 28.480 633 HE2 LYS 10 HE2 LYS 10 26.588 14.734 27.116 634 HE3 LYS 10 HE3 LYS 10 26.907 16.411 27.555 635 HZ1 LYS 10 HZ1 LYS 10 27.622 15.773 29.694 636 HZ2 LYS 10 HZ2 LYS 10 27.162 14.198 29.506 637 HZ3 LYS 10 HZ3 LYS 10 28.418 14.809 28.655 638 H ALA 11 H ALA 11 23.385 20.287 29.139 639 HA ALA 11 HA ALA 11 24.190 22.951 28.495 640 HB1 ALA 11 HB1 ALA 11 23.880 21.559 31.195 641 HB2 ALA 11 HB2 ALA 11 23.913 23.318 30.901 642 HB3 ALA 11 HB3 ALA 11 22.581 22.350 30.264 643 H ASP 12 H ASP 12 26.098 20.199 29.625 644 HA ASP 12 HA ASP 12 28.430 21.809 30.373 645 HB2 ASP 12 HB2 ASP 12 29.490 19.715 30.855 646 HB3 ASP 12 HB3 ASP 12 27.883 19.736 31.549 647 H GLY 13 H GLY 13 27.174 21.184 27.393 648 HA2 GLY 13 HA2 GLY 13 28.050 21.765 25.331 649 HA3 GLY 13 HA3 GLY 13 29.689 21.751 25.981 650 H GLY 14 H GLY 14 28.507 18.815 26.950 651 HA2 GLY 14 HA2 GLY 14 29.682 17.294 24.724 652 HA3 GLY 14 HA3 GLY 14 28.990 16.654 26.208 653 H ARG 15 H ARG 15 28.428 15.333 23.950 654 HA ARG 15 HA ARG 15 25.560 15.936 23.379 655 HB2 ARG 15 HB2 ARG 15 27.730 15.229 21.376 656 HB3 ARG 15 HB3 ARG 15 26.004 14.998 21.044 657 HG2 ARG 15 HG2 ARG 15 25.562 17.362 21.495 658 HG3 ARG 15 HG3 ARG 15 27.285 17.662 21.758 659 HD2 ARG 15 HD2 ARG 15 27.818 17.133 19.475 660 HD3 ARG 15 HD3 ARG 15 26.177 16.509 19.174 661 HE ARG 15 HE ARG 15 25.653 19.052 19.982 662 HH11 ARG 15 HH11 ARG 15 27.758 17.919 17.418 663 HH12 ARG 15 HH12 ARG 15 27.541 19.380 16.485 664 HH21 ARG 15 HH21 ARG 15 25.418 20.823 18.786 665 HH22 ARG 15 HH22 ARG 15 26.219 20.999 17.243 666 H VAL 16 H VAL 16 24.232 14.261 22.767 667 HA VAL 16 HA VAL 16 25.051 11.492 23.495 668 HB VAL 16 HB VAL 16 22.543 12.849 24.549 669 HG11 VAL 16 HG11 VAL 16 23.641 10.046 25.048 670 HG12 VAL 16 HG12 VAL 16 22.268 10.785 25.899 671 HG13 VAL 16 HG13 VAL 16 22.137 10.471 24.177 672 HG21 VAL 16 HG21 VAL 16 24.452 13.679 25.810 673 HG22 VAL 16 HG22 VAL 16 23.561 12.538 26.803 674 HG23 VAL 16 HG23 VAL 16 25.080 12.027 26.024 675 H GLU 17 H GLU 17 23.953 9.867 22.343 676 HA GLU 17 HA GLU 17 22.140 10.800 20.167 677 HB2 GLU 17 HB2 GLU 17 24.444 8.842 19.798 678 HB3 GLU 17 HB3 GLU 17 23.266 9.353 18.597 679 HG2 GLU 17 HG2 GLU 17 25.085 10.627 18.019 680 HG3 GLU 17 HG3 GLU 17 24.102 11.752 18.949 681 H ILE 18 H ILE 18 20.695 9.345 19.322 682 HA ILE 18 HA ILE 18 20.443 6.633 20.532 683 HB ILE 18 HB ILE 18 18.090 8.537 20.197 684 HG12 ILE 18 HG12 ILE 18 17.971 7.759 22.803 685 HG13 ILE 18 HG13 ILE 18 19.709 7.693 22.592 686 HG21 ILE 18 HG21 ILE 18 18.196 5.649 21.150 687 HG22 ILE 18 HG22 ILE 18 16.760 6.697 21.167 688 HG23 ILE 18 HG23 ILE 18 17.487 6.244 19.627 689 HD11 ILE 18 HD11 ILE 18 19.004 9.850 23.487 690 HD12 ILE 18 HD12 ILE 18 19.652 10.130 21.872 691 HD13 ILE 18 HD13 ILE 18 17.890 10.107 22.129 692 H GLY 19 H GLY 19 20.916 5.382 18.859 693 HA2 GLY 19 HA2 GLY 19 20.388 6.139 16.087 694 HA3 GLY 19 HA3 GLY 19 21.159 4.667 16.655 695 H ASP 20 H ASP 20 19.248 4.874 14.557 696 HA ASP 20 HA ASP 20 17.421 3.899 13.687 697 HB2 ASP 20 HB2 ASP 20 18.057 1.757 15.722 698 HB3 ASP 20 HB3 ASP 20 17.100 1.542 14.251 699 H VAL 21 H VAL 21 16.511 5.868 15.152 700 HA VAL 21 HA VAL 21 14.558 5.127 17.144 701 HB VAL 21 HB VAL 21 15.676 7.296 17.146 702 HG11 VAL 21 HG11 VAL 21 13.989 7.980 14.707 703 HG12 VAL 21 HG12 VAL 21 14.846 9.147 15.711 704 HG13 VAL 21 HG13 VAL 21 15.753 7.935 14.810 705 HG21 VAL 21 HG21 VAL 21 13.510 7.021 18.322 706 HG22 VAL 21 HG22 VAL 21 13.767 8.673 17.744 707 HG23 VAL 21 HG23 VAL 21 12.679 7.610 16.858 708 H LEU 22 H LEU 22 12.488 4.566 16.977 709 HA LEU 22 HA LEU 22 11.177 4.280 14.325 710 HB2 LEU 22 HB2 LEU 22 10.388 3.408 17.141 711 HB3 LEU 22 HB3 LEU 22 9.402 3.154 15.706 712 HG LEU 22 HG LEU 22 12.160 1.928 16.155 713 HD11 LEU 22 HD11 LEU 22 10.427 1.017 17.646 714 HD12 LEU 22 HD12 LEU 22 9.323 0.784 16.276 715 HD13 LEU 22 HD13 LEU 22 10.811 -0.172 16.392 716 HD21 LEU 22 HD21 LEU 22 11.574 0.517 14.211 717 HD22 LEU 22 HD22 LEU 22 10.092 1.480 13.947 718 HD23 LEU 22 HD23 LEU 22 11.689 2.225 13.754 719 H GLU 23 H GLU 23 10.935 6.147 17.343 720 HA GLU 23 HA GLU 23 9.252 8.127 15.999 721 HB2 GLU 23 HB2 GLU 23 7.608 6.504 16.785 722 HB3 GLU 23 HB3 GLU 23 8.243 6.605 18.433 723 HG2 GLU 23 HG2 GLU 23 7.518 8.922 18.622 724 HG3 GLU 23 HG3 GLU 23 7.064 8.963 16.909 725 H VAL 24 H VAL 24 9.418 10.148 16.854 726 HA VAL 24 HA VAL 24 10.651 10.537 19.530 727 HB VAL 24 HB VAL 24 12.459 10.906 17.977 728 HG11 VAL 24 HG11 VAL 24 11.361 11.381 15.926 729 HG12 VAL 24 HG12 VAL 24 10.670 12.904 16.549 730 HG13 VAL 24 HG13 VAL 24 12.413 12.755 16.317 731 HG21 VAL 24 HG21 VAL 24 11.465 13.634 18.913 732 HG22 VAL 24 HG22 VAL 24 12.245 12.435 19.964 733 HG23 VAL 24 HG23 VAL 24 13.137 13.147 18.602 734 H ARG 25 H ARG 25 9.708 12.138 20.733 735 HA ARG 25 HA ARG 25 7.336 13.587 19.573 736 HB2 ARG 25 HB2 ARG 25 7.296 12.198 22.272 737 HB3 ARG 25 HB3 ARG 25 5.938 12.841 21.352 738 HG2 ARG 25 HG2 ARG 25 6.247 10.975 19.685 739 HG3 ARG 25 HG3 ARG 25 7.579 10.353 20.686 740 HD2 ARG 25 HD2 ARG 25 5.904 10.293 22.634 741 HD3 ARG 25 HD3 ARG 25 4.640 10.551 21.436 742 HE ARG 25 HE ARG 25 5.074 8.420 20.474 743 HH11 ARG 25 HH11 ARG 25 7.088 8.855 23.314 744 HH12 ARG 25 HH12 ARG 25 7.612 7.182 23.319 745 HH21 ARG 25 HH21 ARG 25 5.978 6.452 20.359 746 HH22 ARG 25 HH22 ARG 25 7.165 5.941 21.553 747 H ALA 26 H ALA 26 7.224 15.685 20.173 748 HA ALA 26 HA ALA 26 8.784 16.629 22.543 749 HB1 ALA 26 HB1 ALA 26 7.855 18.124 20.063 750 HB2 ALA 26 HB2 ALA 26 8.693 18.838 21.459 751 HB3 ALA 26 HB3 ALA 26 9.522 17.631 20.441 752 H GLU 27 H GLU 27 7.486 16.699 24.275 753 HA GLU 27 HA GLU 27 4.866 17.993 24.203 754 HB2 GLU 27 HB2 GLU 27 4.357 15.749 23.302 755 HB3 GLU 27 HB3 GLU 27 5.083 15.000 24.714 756 HG2 GLU 27 HG2 GLU 27 2.677 14.922 24.849 757 HG3 GLU 27 HG3 GLU 27 3.320 15.902 26.154 758 H GLY 28 H GLY 28 4.047 18.478 26.275 759 HA2 GLY 28 HA2 GLY 28 4.097 18.957 28.520 760 HA3 GLY 28 HA3 GLY 28 4.901 17.409 28.731 761 H GLY 29 H GLY 29 6.473 19.985 26.893 762 HA2 GLY 29 HA2 GLY 29 8.314 21.328 27.373 763 HA3 GLY 29 HA3 GLY 29 8.138 20.968 29.088 764 H ALA 30 H ALA 30 8.348 18.250 26.898 765 HA ALA 30 HA ALA 30 11.248 17.832 27.373 766 HB1 ALA 30 HB1 ALA 30 9.942 16.798 29.256 767 HB2 ALA 30 HB2 ALA 30 9.036 15.842 28.069 768 HB3 ALA 30 HB3 ALA 30 10.781 15.580 28.266 769 H VAL 31 H VAL 31 12.098 15.955 26.154 770 HA VAL 31 HA VAL 31 10.424 15.181 23.806 771 HB VAL 31 HB VAL 31 13.432 15.510 23.841 772 HG11 VAL 31 HG11 VAL 31 11.615 14.249 21.738 773 HG12 VAL 31 HG12 VAL 31 13.269 14.771 21.427 774 HG13 VAL 31 HG13 VAL 31 12.979 13.469 22.582 775 HG21 VAL 31 HG21 VAL 31 13.027 17.100 22.042 776 HG22 VAL 31 HG22 VAL 31 11.285 16.728 22.054 777 HG23 VAL 31 HG23 VAL 31 12.029 17.563 23.422 778 H ARG 32 H ARG 32 10.061 13.123 23.430 779 HA ARG 32 HA ARG 32 11.536 11.017 24.984 780 HB2 ARG 32 HB2 ARG 32 8.615 11.167 24.144 781 HB3 ARG 32 HB3 ARG 32 9.421 9.630 24.483 782 HG2 ARG 32 HG2 ARG 32 9.936 10.284 26.762 783 HG3 ARG 32 HG3 ARG 32 9.311 11.920 26.478 784 HD2 ARG 32 HD2 ARG 32 7.679 10.605 27.709 785 HD3 ARG 32 HD3 ARG 32 7.056 11.031 26.106 786 HE ARG 32 HE ARG 32 8.253 8.439 25.937 787 HH11 ARG 32 HH11 ARG 32 5.509 9.848 27.600 788 HH12 ARG 32 HH12 ARG 32 4.615 8.343 27.569 789 HH21 ARG 32 HH21 ARG 32 7.034 6.626 25.818 790 HH22 ARG 32 HH22 ARG 32 5.478 6.563 26.626 791 H VAL 33 H VAL 33 12.053 9.123 23.918 792 HA VAL 33 HA VAL 33 11.746 8.998 20.960 793 HB VAL 33 HB VAL 33 14.079 8.232 20.699 794 HG11 VAL 33 HG11 VAL 33 13.521 10.525 20.149 795 HG12 VAL 33 HG12 VAL 33 13.835 11.047 21.821 796 HG13 VAL 33 HG13 VAL 33 15.162 10.427 20.816 797 HG21 VAL 33 HG21 VAL 33 14.499 9.256 23.532 798 HG22 VAL 33 HG22 VAL 33 14.609 7.551 23.017 799 HG23 VAL 33 HG23 VAL 33 15.772 8.734 22.407 800 H THR 34 H THR 34 11.731 6.949 20.085 801 HA THR 34 HA THR 34 11.656 4.579 21.935 802 HB THR 34 HB THR 34 9.766 5.120 19.611 803 HG1 THR 34 HG1 THR 34 9.428 6.487 21.398 804 HG21 THR 34 HG21 THR 34 9.747 2.972 21.773 805 HG22 THR 34 HG22 THR 34 8.426 3.286 20.625 806 HG23 THR 34 HG23 THR 34 9.997 2.723 20.032 807 H THR 35 H THR 35 12.726 2.763 21.188 808 HA THR 35 HA THR 35 13.791 2.833 18.375 809 HB THR 35 HB THR 35 15.783 1.799 19.092 810 HG1 THR 35 HG1 THR 35 16.061 1.451 21.405 811 HG21 THR 35 HG21 THR 35 15.648 4.287 19.481 812 HG22 THR 35 HG22 THR 35 15.233 3.950 21.176 813 HG23 THR 35 HG23 THR 35 16.800 3.430 20.526 814 H LEU 36 H LEU 36 14.440 0.740 17.471 815 HA LEU 36 HA LEU 36 12.363 -1.217 17.555 816 HB2 LEU 36 HB2 LEU 36 13.502 -2.290 15.853 817 HB3 LEU 36 HB3 LEU 36 13.843 -0.586 15.591 818 HG LEU 36 HG LEU 36 15.748 -2.658 16.824 819 HD11 LEU 36 HD11 LEU 36 16.994 -2.377 14.733 820 HD12 LEU 36 HD12 LEU 36 15.342 -2.914 14.393 821 HD13 LEU 36 HD13 LEU 36 15.799 -1.216 14.141 822 HD21 LEU 36 HD21 LEU 36 16.328 -0.507 17.783 823 HD22 LEU 36 HD22 LEU 36 17.482 -0.875 16.508 824 HD23 LEU 36 HD23 LEU 36 16.191 0.285 16.189 825 H PHE 37 H PHE 37 14.854 -0.828 19.800 826 HA PHE 37 HA PHE 37 15.017 -3.665 20.555 827 HB2 PHE 37 HB2 PHE 37 16.144 -1.226 21.959 828 HB3 PHE 37 HB3 PHE 37 16.584 -2.906 22.236 829 HD1 PHE 37 HD1 PHE 37 17.301 -4.194 19.895 830 HD2 PHE 37 HD2 PHE 37 17.743 0.018 20.758 831 HE1 PHE 37 HE1 PHE 37 19.121 -4.030 18.218 832 HE2 PHE 37 HE2 PHE 37 19.559 0.175 19.071 833 HZ PHE 37 HZ PHE 37 20.243 -1.844 17.789 834 H ASP 38 H ASP 38 12.512 -1.763 20.741 835 HA ASP 38 HA ASP 38 10.730 -1.350 21.998 836 HB2 ASP 38 HB2 ASP 38 11.537 -3.690 23.751 837 HB3 ASP 38 HB3 ASP 38 9.959 -2.912 23.706 838 H GLU 39 H GLU 39 13.517 -0.304 22.841 839 HA GLU 39 HA GLU 39 13.046 0.476 25.628 840 HB2 GLU 39 HB2 GLU 39 15.296 -0.201 24.886 841 HB3 GLU 39 HB3 GLU 39 15.307 1.085 23.696 842 HG2 GLU 39 HG2 GLU 39 16.700 1.701 25.525 843 HG3 GLU 39 HG3 GLU 39 15.326 2.781 25.509 844 H GLU 40 H GLU 40 12.863 2.586 26.379 845 HA GLU 40 HA GLU 40 12.541 4.755 24.411 846 HB2 GLU 40 HB2 GLU 40 10.568 4.283 26.683 847 HB3 GLU 40 HB3 GLU 40 10.766 5.824 25.835 848 HG2 GLU 40 HG2 GLU 40 10.298 4.591 23.678 849 HG3 GLU 40 HG3 GLU 40 9.848 3.195 24.638 850 H HIS 41 H HIS 41 13.053 6.801 25.116 851 HA HIS 41 HA HIS 41 14.351 7.109 27.781 852 HB2 HIS 41 HB2 HIS 41 15.596 8.184 25.235 853 HB3 HIS 41 HB3 HIS 41 16.191 8.388 26.863 854 HD2 HIS 41 HD2 HIS 41 16.287 6.025 23.909 855 HE1 HIS 41 HE1 HIS 41 18.529 4.118 26.992 856 HE2 HIS 41 HE2 HIS 41 17.940 4.066 24.518 857 H ALA 42 H ALA 42 14.445 9.337 28.510 858 HA ALA 42 HA ALA 42 12.618 11.240 27.142 859 HB1 ALA 42 HB1 ALA 42 11.498 11.706 29.278 860 HB2 ALA 42 HB2 ALA 42 11.281 10.001 28.821 861 HB3 ALA 42 HB3 ALA 42 12.457 10.442 30.083 862 H PHE 43 H PHE 43 13.145 13.314 27.304 863 HA PHE 43 HA PHE 43 15.519 14.187 28.903 864 HB2 PHE 43 HB2 PHE 43 15.026 14.662 25.952 865 HB3 PHE 43 HB3 PHE 43 16.385 15.254 26.912 866 HD1 PHE 43 HD1 PHE 43 17.967 13.511 28.008 867 HD2 PHE 43 HD2 PHE 43 15.140 12.541 24.884 868 HE1 PHE 43 HE1 PHE 43 19.208 11.422 27.520 869 HE2 PHE 43 HE2 PHE 43 16.402 10.463 24.397 870 HZ PHE 43 HZ PHE 43 18.420 9.884 25.736 871 HA PRO 44 HA PRO 44 12.164 17.305 29.447 872 HB2 PRO 44 HB2 PRO 44 12.845 18.103 31.994 873 HB3 PRO 44 HB3 PRO 44 11.829 16.688 31.617 874 HG2 PRO 44 HG2 PRO 44 14.796 16.750 32.216 875 HG3 PRO 44 HG3 PRO 44 13.548 15.623 32.871 876 HD2 PRO 44 HD2 PRO 44 15.193 14.967 30.818 877 HD3 PRO 44 HD3 PRO 44 13.509 14.380 30.894 878 H GLY 45 H GLY 45 12.203 19.495 29.231 879 HA2 GLY 45 HA2 GLY 45 13.045 21.634 28.963 880 HA3 GLY 45 HA3 GLY 45 14.655 21.090 29.410 881 H LEU 46 H LEU 46 13.549 19.036 26.955 882 HA LEU 46 HA LEU 46 14.947 20.627 24.852 883 HB2 LEU 46 HB2 LEU 46 14.285 17.664 24.899 884 HB3 LEU 46 HB3 LEU 46 15.149 18.507 23.625 885 HG LEU 46 HG LEU 46 16.118 17.922 26.450 886 HD11 LEU 46 HD11 LEU 46 17.286 17.284 23.695 887 HD12 LEU 46 HD12 LEU 46 17.842 16.685 25.268 888 HD13 LEU 46 HD13 LEU 46 16.271 16.170 24.623 889 HD21 LEU 46 HD21 LEU 46 16.913 20.179 25.967 890 HD22 LEU 46 HD22 LEU 46 18.246 19.050 25.766 891 HD23 LEU 46 HD23 LEU 46 17.430 19.686 24.330 892 H ALA 47 H ALA 47 14.227 20.545 22.705 893 HA ALA 47 HA ALA 47 11.548 19.560 22.041 894 HB1 ALA 47 HB1 ALA 47 11.109 21.918 22.598 895 HB2 ALA 47 HB2 ALA 47 12.409 22.446 21.512 896 HB3 ALA 47 HB3 ALA 47 10.954 21.668 20.854 897 H ILE 48 H ILE 48 11.303 19.339 19.644 898 HA ILE 48 HA ILE 48 13.801 18.515 18.328 899 HB ILE 48 HB ILE 48 10.975 18.688 17.236 900 HG12 ILE 48 HG12 ILE 48 12.370 16.072 17.899 901 HG13 ILE 48 HG13 ILE 48 11.545 16.947 19.187 902 HG21 ILE 48 HG21 ILE 48 13.498 17.386 16.126 903 HG22 ILE 48 HG22 ILE 48 11.870 17.144 15.441 904 HG23 ILE 48 HG23 ILE 48 12.603 18.740 15.415 905 HD11 ILE 48 HD11 ILE 48 9.437 16.927 17.867 906 HD12 ILE 48 HD12 ILE 48 10.256 15.958 16.614 907 HD13 ILE 48 HD13 ILE 48 10.027 15.307 18.250 908 H GLY 49 H GLY 49 15.123 19.837 17.209 909 HA2 GLY 49 HA2 GLY 49 14.238 22.603 16.527 910 HA3 GLY 49 HA3 GLY 49 15.883 22.029 16.720 911 H ARG 50 H ARG 50 15.674 19.717 15.033 912 HA ARG 50 HA ARG 50 15.116 20.664 12.278 913 HB2 ARG 50 HB2 ARG 50 17.242 21.713 12.686 914 HB3 ARG 50 HB3 ARG 50 17.895 20.268 13.438 915 HG2 ARG 50 HG2 ARG 50 17.933 19.090 11.274 916 HG3 ARG 50 HG3 ARG 50 17.253 20.519 10.474 917 HD2 ARG 50 HD2 ARG 50 19.206 21.852 11.198 918 HD3 ARG 50 HD3 ARG 50 19.839 20.451 12.089 919 HE ARG 50 HE ARG 50 19.407 20.202 9.134 920 HH11 ARG 50 HH11 ARG 50 21.779 20.880 11.628 921 HH12 ARG 50 HH12 ARG 50 23.117 20.458 10.599 922 HH21 ARG 50 HH21 ARG 50 21.175 19.373 7.984 923 HH22 ARG 50 HH22 ARG 50 22.780 19.711 8.585 924 H VAL 51 H VAL 51 14.918 19.091 10.820 925 HA VAL 51 HA VAL 51 15.646 16.280 11.476 926 HB VAL 51 HB VAL 51 12.953 17.094 10.304 927 HG11 VAL 51 HG11 VAL 51 14.096 14.388 11.118 928 HG12 VAL 51 HG12 VAL 51 12.421 14.673 10.628 929 HG13 VAL 51 HG13 VAL 51 13.733 14.934 9.470 930 HG21 VAL 51 HG21 VAL 51 12.953 17.638 12.694 931 HG22 VAL 51 HG22 VAL 51 11.941 16.250 12.371 932 HG23 VAL 51 HG23 VAL 51 13.555 16.014 13.088 933 H ASP 52 H ASP 52 17.200 15.937 9.990 934 HA ASP 52 HA ASP 52 16.886 17.070 7.224 935 HB2 ASP 52 HB2 ASP 52 18.658 18.043 8.625 936 HB3 ASP 52 HB3 ASP 52 19.406 16.462 8.791 937 H LEU 53 H LEU 53 16.031 15.497 6.022 938 HA LEU 53 HA LEU 53 16.453 12.672 6.545 939 HB2 LEU 53 HB2 LEU 53 15.019 14.059 4.239 940 HB3 LEU 53 HB3 LEU 53 14.955 12.357 4.628 941 HG LEU 53 HG LEU 53 12.946 13.212 5.323 942 HD11 LEU 53 HD11 LEU 53 13.975 11.678 6.968 943 HD12 LEU 53 HD12 LEU 53 14.592 13.068 7.884 944 HD13 LEU 53 HD13 LEU 53 12.850 12.817 7.722 945 HD21 LEU 53 HD21 LEU 53 13.513 15.624 5.402 946 HD22 LEU 53 HD22 LEU 53 12.484 15.082 6.725 947 HD23 LEU 53 HD23 LEU 53 14.200 15.390 7.021 948 H ARG 54 H ARG 54 18.177 14.967 4.632 949 HA ARG 54 HA ARG 54 19.278 13.142 2.641 950 HB2 ARG 54 HB2 ARG 54 20.702 15.550 3.820 951 HB3 ARG 54 HB3 ARG 54 20.951 14.815 2.245 952 HG2 ARG 54 HG2 ARG 54 18.670 15.627 1.543 953 HG3 ARG 54 HG3 ARG 54 18.501 16.396 3.126 954 HD2 ARG 54 HD2 ARG 54 20.868 17.462 2.518 955 HD3 ARG 54 HD3 ARG 54 20.387 17.085 0.869 956 HE ARG 54 HE ARG 54 18.852 18.829 0.943 957 HH11 ARG 54 HH11 ARG 54 18.116 20.809 1.825 958 HH12 ARG 54 HH12 ARG 54 18.265 21.040 3.562 959 HH21 ARG 54 HH21 ARG 54 19.617 18.124 4.358 960 HH22 ARG 54 HH22 ARG 54 19.155 19.751 4.796 961 H SER 55 H SER 55 20.217 14.130 5.893 962 HA SER 55 HA SER 55 22.467 12.180 6.021 963 HB2 SER 55 HB2 SER 55 21.472 14.223 8.041 964 HB3 SER 55 HB3 SER 55 22.920 13.219 8.198 965 HG SER 55 HG SER 55 22.417 15.273 6.277 966 H GLY 56 H GLY 56 19.137 12.436 7.025 967 HA2 GLY 56 HA2 GLY 56 17.746 10.915 8.088 968 HA3 GLY 56 HA3 GLY 56 19.089 9.778 8.276 969 H VAL 57 H VAL 57 19.069 13.188 9.367 970 HA VAL 57 HA VAL 57 19.526 12.207 12.167 971 HB VAL 57 HB VAL 57 20.786 14.556 10.722 972 HG11 VAL 57 HG11 VAL 57 20.418 15.231 13.057 973 HG12 VAL 57 HG12 VAL 57 21.080 13.681 13.638 974 HG13 VAL 57 HG13 VAL 57 22.123 14.862 12.811 975 HG21 VAL 57 HG21 VAL 57 21.976 12.021 11.940 976 HG22 VAL 57 HG22 VAL 57 21.791 12.332 10.202 977 HG23 VAL 57 HG23 VAL 57 22.887 13.330 11.155 978 H ILE 58 H ILE 58 18.318 12.862 13.712 979 HA ILE 58 HA ILE 58 16.549 15.273 13.485 980 HB ILE 58 HB ILE 58 16.476 12.805 15.246 981 HG12 ILE 58 HG12 ILE 58 14.133 13.747 13.598 982 HG13 ILE 58 HG13 ILE 58 15.469 12.968 12.755 983 HG21 ILE 58 HG21 ILE 58 15.845 14.707 16.673 984 HG22 ILE 58 HG22 ILE 58 14.684 15.259 15.445 985 HG23 ILE 58 HG23 ILE 58 14.444 13.724 16.305 986 HD11 ILE 58 HD11 ILE 58 13.969 11.712 15.087 987 HD12 ILE 58 HD12 ILE 58 13.756 11.324 13.366 988 HD13 ILE 58 HD13 ILE 58 15.294 10.988 14.172 989 H SER 59 H SER 59 17.335 17.054 14.475 990 HA SER 59 HA SER 59 19.330 16.771 16.688 991 HB2 SER 59 HB2 SER 59 18.707 19.235 15.071 992 HB3 SER 59 HB3 SER 59 20.002 19.028 16.255 993 HG SER 59 HG SER 59 20.986 17.547 14.870 994 H LEU 60 H LEU 60 18.599 17.036 18.671 995 HA LEU 60 HA LEU 60 16.157 18.632 19.233 996 HB2 LEU 60 HB2 LEU 60 17.848 17.092 21.187 997 HB3 LEU 60 HB3 LEU 60 16.231 17.730 21.432 998 HG LEU 60 HG LEU 60 17.035 15.391 19.640 999 HD11 LEU 60 HD11 LEU 60 15.396 15.593 22.199 1000 HD12 LEU 60 HD12 LEU 60 15.619 14.114 21.231 1001 HD13 LEU 60 HD13 LEU 60 17.006 14.871 22.024 1002 HD21 LEU 60 HD21 LEU 60 15.184 16.559 18.552 1003 HD22 LEU 60 HD22 LEU 60 14.598 15.075 19.295 1004 HD23 LEU 60 HD23 LEU 60 14.283 16.637 20.087 1005 H ILE 61 H ILE 61 16.143 20.364 20.611 1006 HA ILE 61 HA ILE 61 18.708 21.641 21.437 1007 HB ILE 61 HB ILE 61 17.806 23.849 20.705 1008 HG12 ILE 61 HG12 ILE 61 16.222 23.774 18.690 1009 HG13 ILE 61 HG13 ILE 61 15.662 22.216 19.282 1010 HG21 ILE 61 HG21 ILE 61 18.543 23.634 18.419 1011 HG22 ILE 61 HG22 ILE 61 19.516 22.549 19.428 1012 HG23 ILE 61 HG23 ILE 61 18.219 21.903 18.402 1013 HD11 ILE 61 HD11 ILE 61 14.847 23.309 21.350 1014 HD12 ILE 61 HD12 ILE 61 15.540 24.854 20.810 1015 HD13 ILE 61 HD13 ILE 61 14.208 24.111 19.910 1016 H GLU 62 H GLU 62 18.463 23.258 23.130 1017 HA GLU 62 HA GLU 62 16.503 22.457 25.149 1018 HB2 GLU 62 HB2 GLU 62 18.481 24.752 25.066 1019 HB3 GLU 62 HB3 GLU 62 17.446 24.355 26.454 1020 HG2 GLU 62 HG2 GLU 62 18.455 22.071 26.543 1021 HG3 GLU 62 HG3 GLU 62 19.573 22.530 25.241 1022 H GLU 63 H GLU 63 14.551 23.317 25.592 1023 HA GLU 63 HA GLU 63 13.318 24.684 23.426 1024 HB2 GLU 63 HB2 GLU 63 11.270 24.334 24.580 1025 HB3 GLU 63 HB3 GLU 63 12.291 22.945 24.782 1026 HG2 GLU 63 HG2 GLU 63 11.506 23.068 26.897 1027 HG3 GLU 63 HG3 GLU 63 12.972 24.014 27.095 1028 H GLN 64 H GLN 64 14.400 25.989 26.526 1029 HA GLN 64 HA GLN 64 14.422 28.665 25.364 1030 HB2 GLN 64 HB2 GLN 64 12.865 28.151 27.940 1031 HB3 GLN 64 HB3 GLN 64 13.427 29.735 27.392 1032 HG2 GLN 64 HG2 GLN 64 12.062 29.431 25.283 1033 HG3 GLN 64 HG3 GLN 64 11.337 28.005 26.027 1034 HE21 GLN 64 HE21 GLN 64 9.417 29.572 25.453 1035 HE22 GLN 64 HE22 GLN 64 8.911 30.602 26.782 1036 H ASN 65 H ASN 65 15.921 29.998 26.242 1037 HA ASN 65 HA ASN 65 17.175 29.443 28.858 1038 HB2 ASN 65 HB2 ASN 65 18.701 29.700 26.241 1039 HB3 ASN 65 HB3 ASN 65 19.442 30.062 27.803 1040 HD21 ASN 65 HD21 ASN 65 19.351 27.664 25.596 1041 HD22 ASN 65 HD22 ASN 65 19.669 26.321 26.691 1042 H ARG 66 H ARG 66 15.125 31.256 27.991 1043 HA ARG 66 HA ARG 66 16.148 33.915 27.455 1044 HB2 ARG 66 HB2 ARG 66 13.411 32.988 28.409 1045 HB3 ARG 66 HB3 ARG 66 13.810 34.617 27.882 1046 HG2 ARG 66 HG2 ARG 66 14.476 33.672 25.625 1047 HG3 ARG 66 HG3 ARG 66 13.962 32.088 26.180 1048 HD2 ARG 66 HD2 ARG 66 12.162 32.972 24.881 1049 HD3 ARG 66 HD3 ARG 66 11.655 33.005 26.574 1050 HE ARG 66 HE ARG 66 12.855 35.516 25.852 1051 HH11 ARG 66 HH11 ARG 66 9.870 33.769 25.309 1052 HH12 ARG 66 HH12 ARG 66 8.961 35.233 25.033 1053 HH21 ARG 66 HH21 ARG 66 11.655 37.320 25.484 1054 HH22 ARG 66 HH22 ARG 66 9.945 37.196 25.150 Start of MODEL 12 1 H1 GLY -3 H1 GLY -3 -0.174 0.480 -10.613 2 H2 GLY -3 H2 GLY -3 0.593 0.739 -12.024 3 H3 GLY -3 H3 GLY -3 -1.049 0.746 -11.968 4 HA2 GLY -3 HA2 GLY -3 -0.268 2.998 -12.149 5 HA3 GLY -3 HA3 GLY -3 -1.040 2.719 -10.587 6 HA PRO -2 HA PRO -2 3.072 4.765 -9.896 7 HB2 PRO -2 HB2 PRO -2 1.422 5.986 -7.689 8 HB3 PRO -2 HB3 PRO -2 2.657 6.745 -8.736 9 HG2 PRO -2 HG2 PRO -2 0.032 7.148 -9.230 10 HG3 PRO -2 HG3 PRO -2 1.143 6.793 -10.596 11 HD2 PRO -2 HD2 PRO -2 -0.687 4.871 -9.117 12 HD3 PRO -2 HD3 PRO -2 -0.473 5.100 -10.884 13 H GLY -1 H GLY -1 4.639 4.515 -8.261 14 HA2 GLY -1 HA2 GLY -1 4.342 2.175 -6.527 15 HA3 GLY -1 HA3 GLY -1 5.795 3.132 -6.800 16 H SER 0 H SER 0 3.764 5.494 -6.006 17 HA SER 0 HA SER 0 3.558 6.871 -4.229 18 HB2 SER 0 HB2 SER 0 2.879 4.328 -2.728 19 HB3 SER 0 HB3 SER 0 2.446 5.978 -2.243 20 HG SER 0 HG SER 0 1.118 6.163 -4.039 21 H MET 1 H MET 1 6.277 5.887 -4.632 22 HA MET 1 HA MET 1 7.610 5.553 -2.083 23 HB2 MET 1 HB2 MET 1 8.670 6.383 -4.810 24 HB3 MET 1 HB3 MET 1 9.667 5.967 -3.403 25 HG2 MET 1 HG2 MET 1 8.844 3.690 -3.392 26 HG3 MET 1 HG3 MET 1 7.665 4.060 -4.639 27 HE1 MET 1 HE1 MET 1 11.438 3.411 -3.830 28 HE2 MET 1 HE2 MET 1 12.231 3.684 -5.399 29 HE3 MET 1 HE3 MET 1 11.572 5.061 -4.487 30 H CYS 2 H CYS 2 8.504 7.024 -0.710 31 HA CYS 2 HA CYS 2 9.158 9.743 -1.524 32 HB2 CYS 2 HB2 CYS 2 7.801 10.868 0.184 33 HB3 CYS 2 HB3 CYS 2 6.771 10.026 -0.975 34 HG CYS 2 HG CYS 2 6.230 7.951 0.479 35 H MET 3 H MET 3 10.498 10.845 -0.032 36 HA MET 3 HA MET 3 12.152 9.176 1.718 37 HB2 MET 3 HB2 MET 3 12.163 12.179 1.198 38 HB3 MET 3 HB3 MET 3 13.350 11.305 2.153 39 HG2 MET 3 HG2 MET 3 14.340 11.651 0.039 40 HG3 MET 3 HG3 MET 3 13.956 9.948 0.169 41 HE1 MET 3 HE1 MET 3 13.062 13.381 -1.646 42 HE2 MET 3 HE2 MET 3 11.584 12.912 -2.514 43 HE3 MET 3 HE3 MET 3 11.578 13.013 -0.749 44 H ALA 4 H ALA 4 10.019 12.020 2.258 45 HA ALA 4 HA ALA 4 8.822 10.783 4.589 46 HB1 ALA 4 HB1 ALA 4 9.267 12.788 6.061 47 HB2 ALA 4 HB2 ALA 4 10.710 11.827 5.711 48 HB3 ALA 4 HB3 ALA 4 10.434 13.363 4.857 49 H LYS 5 H LYS 5 7.081 12.213 5.441 50 HA LYS 5 HA LYS 5 5.970 14.195 3.546 51 HB2 LYS 5 HB2 LYS 5 3.728 13.115 3.632 52 HB3 LYS 5 HB3 LYS 5 4.951 12.229 2.730 53 HG2 LYS 5 HG2 LYS 5 5.259 10.703 4.723 54 HG3 LYS 5 HG3 LYS 5 3.913 11.551 5.515 55 HD2 LYS 5 HD2 LYS 5 2.424 10.923 3.659 56 HD3 LYS 5 HD3 LYS 5 3.737 10.105 2.814 57 HE2 LYS 5 HE2 LYS 5 2.672 9.320 5.564 58 HE3 LYS 5 HE3 LYS 5 2.146 8.598 4.053 59 HZ1 LYS 5 HZ1 LYS 5 4.942 8.472 5.066 60 HZ2 LYS 5 HZ2 LYS 5 3.867 7.260 5.105 61 HZ3 LYS 5 HZ3 LYS 5 4.401 7.807 3.667 62 H VAL 6 H VAL 6 5.082 15.865 4.458 63 HA VAL 6 HA VAL 6 4.926 15.993 7.438 64 HB VAL 6 HB VAL 6 5.508 18.067 5.344 65 HG11 VAL 6 HG11 VAL 6 3.906 19.230 6.745 66 HG12 VAL 6 HG12 VAL 6 4.755 18.677 8.216 67 HG13 VAL 6 HG13 VAL 6 5.533 19.804 7.097 68 HG21 VAL 6 HG21 VAL 6 7.347 16.689 6.456 69 HG22 VAL 6 HG22 VAL 6 7.500 18.458 6.567 70 HG23 VAL 6 HG23 VAL 6 6.912 17.538 7.952 71 H VAL 7 H VAL 7 3.156 16.695 8.493 72 HA VAL 7 HA VAL 7 0.793 17.624 6.958 73 HB VAL 7 HB VAL 7 0.412 15.258 7.239 74 HG11 VAL 7 HG11 VAL 7 0.619 15.669 10.258 75 HG12 VAL 7 HG12 VAL 7 0.148 14.181 9.406 76 HG13 VAL 7 HG13 VAL 7 1.795 14.797 9.242 77 HG21 VAL 7 HG21 VAL 7 -1.498 16.858 7.451 78 HG22 VAL 7 HG22 VAL 7 -1.757 15.303 8.250 79 HG23 VAL 7 HG23 VAL 7 -1.363 16.738 9.220 80 H LEU 8 H LEU 8 -0.435 19.127 7.894 81 HA LEU 8 HA LEU 8 -0.054 19.967 10.676 82 HB2 LEU 8 HB2 LEU 8 0.770 22.179 10.159 83 HB3 LEU 8 HB3 LEU 8 1.846 20.963 9.502 84 HG LEU 8 HG LEU 8 0.350 21.391 7.276 85 HD11 LEU 8 HD11 LEU 8 -1.068 23.183 8.240 86 HD12 LEU 8 HD12 LEU 8 0.380 24.091 8.730 87 HD13 LEU 8 HD13 LEU 8 0.015 23.850 7.019 88 HD21 LEU 8 HD21 LEU 8 2.654 23.157 8.142 89 HD22 LEU 8 HD22 LEU 8 2.792 21.532 7.426 90 HD23 LEU 8 HD23 LEU 8 2.104 22.858 6.477 91 H THR 9 H THR 9 -1.483 21.746 11.279 92 HA THR 9 HA THR 9 -3.755 22.293 9.418 93 HB THR 9 HB THR 9 -4.053 22.036 12.433 94 HG1 THR 9 HG1 THR 9 -3.766 20.012 11.525 95 HG21 THR 9 HG21 THR 9 -6.088 22.380 10.178 96 HG22 THR 9 HG22 THR 9 -6.483 22.057 11.880 97 HG23 THR 9 HG23 THR 9 -5.698 23.572 11.437 98 H LYS 10 H LYS 10 -3.974 24.346 8.953 99 HA LYS 10 HA LYS 10 -2.260 26.412 10.072 100 HB2 LYS 10 HB2 LYS 10 -4.633 26.453 8.177 101 HB3 LYS 10 HB3 LYS 10 -3.612 27.862 8.514 102 HG2 LYS 10 HG2 LYS 10 -1.648 26.655 7.607 103 HG3 LYS 10 HG3 LYS 10 -2.687 25.282 7.172 104 HD2 LYS 10 HD2 LYS 10 -3.097 28.150 6.198 105 HD3 LYS 10 HD3 LYS 10 -2.233 26.921 5.274 106 HE2 LYS 10 HE2 LYS 10 -4.149 25.652 4.846 107 HE3 LYS 10 HE3 LYS 10 -5.028 26.299 6.229 108 HZ1 LYS 10 HZ1 LYS 10 -5.801 27.204 4.089 109 HZ2 LYS 10 HZ2 LYS 10 -5.343 28.356 5.147 110 HZ3 LYS 10 HZ3 LYS 10 -4.361 27.951 3.884 111 H ALA 11 H ALA 11 -3.044 28.479 10.883 112 HA ALA 11 HA ALA 11 -4.805 28.309 13.122 113 HB1 ALA 11 HB1 ALA 11 -3.774 30.748 11.606 114 HB2 ALA 11 HB2 ALA 11 -4.438 30.742 13.256 115 HB3 ALA 11 HB3 ALA 11 -2.919 29.890 12.913 116 H ASP 12 H ASP 12 -5.522 29.030 9.744 117 HA ASP 12 HA ASP 12 -8.212 30.062 10.280 118 HB2 ASP 12 HB2 ASP 12 -8.439 30.164 7.899 119 HB3 ASP 12 HB3 ASP 12 -6.894 30.851 8.373 120 H GLY 13 H GLY 13 -7.015 27.042 10.688 121 HA2 GLY 13 HA2 GLY 13 -8.195 25.141 11.304 122 HA3 GLY 13 HA3 GLY 13 -9.656 25.737 10.508 123 H GLY 14 H GLY 14 -7.304 26.101 8.174 124 HA2 GLY 14 HA2 GLY 14 -8.233 23.835 6.645 125 HA3 GLY 14 HA3 GLY 14 -7.004 25.000 6.164 126 H ARG 15 H ARG 15 -7.462 21.836 6.619 127 HA ARG 15 HA ARG 15 -4.868 21.008 7.710 128 HB2 ARG 15 HB2 ARG 15 -7.274 19.678 6.506 129 HB3 ARG 15 HB3 ARG 15 -5.754 18.842 6.278 130 HG2 ARG 15 HG2 ARG 15 -6.582 19.852 9.023 131 HG3 ARG 15 HG3 ARG 15 -7.167 18.299 8.395 132 HD2 ARG 15 HD2 ARG 15 -4.236 19.059 8.751 133 HD3 ARG 15 HD3 ARG 15 -5.164 18.082 9.872 134 HE ARG 15 HE ARG 15 -4.213 17.303 7.160 135 HH11 ARG 15 HH11 ARG 15 -6.016 16.208 9.982 136 HH12 ARG 15 HH12 ARG 15 -5.978 14.557 9.421 137 HH21 ARG 15 HH21 ARG 15 -4.273 15.359 6.527 138 HH22 ARG 15 HH22 ARG 15 -5.008 14.051 7.467 139 H VAL 16 H VAL 16 -3.084 20.428 6.699 140 HA VAL 16 HA VAL 16 -2.807 20.727 3.732 141 HB VAL 16 HB VAL 16 -1.147 22.184 5.815 142 HG11 VAL 16 HG11 VAL 16 0.353 21.434 4.039 143 HG12 VAL 16 HG12 VAL 16 -0.758 22.081 2.797 144 HG13 VAL 16 HG13 VAL 16 0.095 23.174 3.903 145 HG21 VAL 16 HG21 VAL 16 -3.203 23.412 5.371 146 HG22 VAL 16 HG22 VAL 16 -1.849 24.243 4.615 147 HG23 VAL 16 HG23 VAL 16 -2.942 23.267 3.614 148 H GLU 17 H GLU 17 -1.380 19.372 2.812 149 HA GLU 17 HA GLU 17 0.510 17.814 4.504 150 HB2 GLU 17 HB2 GLU 17 -1.197 16.673 2.253 151 HB3 GLU 17 HB3 GLU 17 0.137 15.860 3.059 152 HG2 GLU 17 HG2 GLU 17 -1.717 14.953 4.081 153 HG3 GLU 17 HG3 GLU 17 -1.091 16.114 5.246 154 H ILE 18 H ILE 18 2.472 17.305 3.576 155 HA ILE 18 HA ILE 18 3.128 18.406 0.868 156 HB ILE 18 HB ILE 18 4.796 18.722 3.378 157 HG12 ILE 18 HG12 ILE 18 3.481 20.971 1.807 158 HG13 ILE 18 HG13 ILE 18 2.783 20.278 3.266 159 HG21 ILE 18 HG21 ILE 18 6.178 18.421 1.344 160 HG22 ILE 18 HG22 ILE 18 5.301 19.745 0.561 161 HG23 ILE 18 HG23 ILE 18 6.334 20.044 1.975 162 HD11 ILE 18 HD11 ILE 18 5.418 21.745 3.157 163 HD12 ILE 18 HD12 ILE 18 3.911 22.233 3.930 164 HD13 ILE 18 HD13 ILE 18 4.798 20.853 4.572 165 H GLY 19 H GLY 19 3.845 16.779 -0.350 166 HA2 GLY 19 HA2 GLY 19 4.998 14.311 0.831 167 HA3 GLY 19 HA3 GLY 19 4.473 14.544 -0.831 168 H ASP 20 H ASP 20 6.797 13.282 -0.339 169 HA ASP 20 HA ASP 20 8.994 13.173 -0.825 170 HB2 ASP 20 HB2 ASP 20 8.323 15.286 -2.873 171 HB3 ASP 20 HB3 ASP 20 9.689 14.171 -2.878 172 H VAL 21 H VAL 21 8.738 14.531 1.453 173 HA VAL 21 HA VAL 21 10.166 17.051 1.538 174 HB VAL 21 HB VAL 21 9.291 15.109 3.694 175 HG11 VAL 21 HG11 VAL 21 10.536 17.855 4.021 176 HG12 VAL 21 HG12 VAL 21 9.645 16.987 5.282 177 HG13 VAL 21 HG13 VAL 21 11.139 16.317 4.658 178 HG21 VAL 21 HG21 VAL 21 7.467 16.217 2.464 179 HG22 VAL 21 HG22 VAL 21 7.566 16.802 4.123 180 HG23 VAL 21 HG23 VAL 21 8.197 17.807 2.808 181 H LEU 22 H LEU 22 12.238 17.494 1.758 182 HA LEU 22 HA LEU 22 14.253 15.308 2.144 183 HB2 LEU 22 HB2 LEU 22 14.506 18.172 1.167 184 HB3 LEU 22 HB3 LEU 22 15.842 17.043 1.345 185 HG LEU 22 HG LEU 22 13.509 16.715 -0.585 186 HD11 LEU 22 HD11 LEU 22 15.043 18.553 -1.187 187 HD12 LEU 22 HD12 LEU 22 16.431 17.452 -1.052 188 HD13 LEU 22 HD13 LEU 22 15.199 17.186 -2.304 189 HD21 LEU 22 HD21 LEU 22 14.382 14.510 0.063 190 HD22 LEU 22 HD22 LEU 22 14.922 14.906 -1.576 191 HD23 LEU 22 HD23 LEU 22 16.050 15.057 -0.220 192 H GLU 23 H GLU 23 13.109 18.360 3.574 193 HA GLU 23 HA GLU 23 14.656 17.884 6.031 194 HB2 GLU 23 HB2 GLU 23 16.296 18.907 4.526 195 HB3 GLU 23 HB3 GLU 23 15.187 20.243 4.181 196 HG2 GLU 23 HG2 GLU 23 15.352 21.051 6.477 197 HG3 GLU 23 HG3 GLU 23 16.264 19.612 6.954 198 H VAL 24 H VAL 24 13.856 18.946 7.797 199 HA VAL 24 HA VAL 24 11.809 21.072 7.500 200 HB VAL 24 HB VAL 24 11.431 18.781 9.441 201 HG11 VAL 24 HG11 VAL 24 10.363 20.867 10.156 202 HG12 VAL 24 HG12 VAL 24 9.528 20.986 8.605 203 HG13 VAL 24 HG13 VAL 24 9.158 19.661 9.712 204 HG21 VAL 24 HG21 VAL 24 11.101 17.763 7.303 205 HG22 VAL 24 HG22 VAL 24 9.523 18.042 8.036 206 HG23 VAL 24 HG23 VAL 24 10.096 19.110 6.740 207 H ARG 25 H ARG 25 11.999 22.664 9.042 208 HA ARG 25 HA ARG 25 13.907 22.316 11.322 209 HB2 ARG 25 HB2 ARG 25 13.869 24.687 9.403 210 HB3 ARG 25 HB3 ARG 25 14.822 24.567 10.880 211 HG2 ARG 25 HG2 ARG 25 16.050 22.617 9.907 212 HG3 ARG 25 HG3 ARG 25 15.136 22.833 8.396 213 HD2 ARG 25 HD2 ARG 25 16.001 25.191 8.283 214 HD3 ARG 25 HD3 ARG 25 16.993 24.856 9.716 215 HE ARG 25 HE ARG 25 17.482 22.889 7.643 216 HH11 ARG 25 HH11 ARG 25 18.304 26.238 8.347 217 HH12 ARG 25 HH12 ARG 25 19.750 26.149 7.370 218 HH21 ARG 25 HH21 ARG 25 19.197 22.862 6.457 219 HH22 ARG 25 HH22 ARG 25 20.261 24.258 6.293 220 H ALA 26 H ALA 26 13.473 23.520 13.159 221 HA ALA 26 HA ALA 26 11.020 25.223 13.177 222 HB1 ALA 26 HB1 ALA 26 10.572 23.062 14.278 223 HB2 ALA 26 HB2 ALA 26 11.954 23.322 15.358 224 HB3 ALA 26 HB3 ALA 26 10.550 24.415 15.424 225 H GLU 27 H GLU 27 11.216 27.174 14.155 226 HA GLU 27 HA GLU 27 13.637 27.845 15.748 227 HB2 GLU 27 HB2 GLU 27 14.216 28.110 13.311 228 HB3 GLU 27 HB3 GLU 27 12.958 29.346 13.193 229 HG2 GLU 27 HG2 GLU 27 14.145 30.664 14.959 230 HG3 GLU 27 HG3 GLU 27 15.378 29.398 15.049 231 H GLY 28 H GLY 28 12.982 28.949 17.464 232 HA2 GLY 28 HA2 GLY 28 11.878 30.397 18.860 233 HA3 GLY 28 HA3 GLY 28 11.326 31.273 17.432 234 H GLY 29 H GLY 29 9.451 30.513 16.354 235 HA2 GLY 29 HA2 GLY 29 7.571 28.661 17.649 236 HA3 GLY 29 HA3 GLY 29 7.058 30.355 17.635 237 H ALA 30 H ALA 30 8.971 28.859 15.028 238 HA ALA 30 HA ALA 30 6.609 28.610 13.248 239 HB1 ALA 30 HB1 ALA 30 9.134 30.208 12.610 240 HB2 ALA 30 HB2 ALA 30 7.783 29.891 11.488 241 HB3 ALA 30 HB3 ALA 30 7.529 30.898 12.927 242 H VAL 31 H VAL 31 6.957 27.274 11.416 243 HA VAL 31 HA VAL 31 9.406 25.548 11.461 244 HB VAL 31 HB VAL 31 6.550 24.668 10.994 245 HG11 VAL 31 HG11 VAL 31 7.545 22.373 10.676 246 HG12 VAL 31 HG12 VAL 31 7.894 23.464 9.337 247 HG13 VAL 31 HG13 VAL 31 9.140 23.103 10.559 248 HG21 VAL 31 HG21 VAL 31 7.325 24.808 13.358 249 HG22 VAL 31 HG22 VAL 31 7.046 23.133 12.863 250 HG23 VAL 31 HG23 VAL 31 8.706 23.777 12.974 251 H ARG 32 H ARG 32 10.377 25.044 9.618 252 HA ARG 32 HA ARG 32 9.356 26.106 7.006 253 HB2 ARG 32 HB2 ARG 32 12.211 26.110 8.071 254 HB3 ARG 32 HB3 ARG 32 11.790 26.356 6.386 255 HG2 ARG 32 HG2 ARG 32 12.289 28.455 7.399 256 HG3 ARG 32 HG3 ARG 32 10.598 28.418 6.898 257 HD2 ARG 32 HD2 ARG 32 9.805 28.443 9.085 258 HD3 ARG 32 HD3 ARG 32 11.260 27.717 9.757 259 HE ARG 32 HE ARG 32 10.771 30.573 9.171 260 HH11 ARG 32 HH11 ARG 32 13.263 28.226 10.089 261 HH12 ARG 32 HH12 ARG 32 14.158 29.484 10.943 262 HH21 ARG 32 HH21 ARG 32 12.107 32.037 10.296 263 HH22 ARG 32 HH22 ARG 32 13.576 31.403 11.040 264 H VAL 33 H VAL 33 9.712 24.731 5.217 265 HA VAL 33 HA VAL 33 11.147 22.201 5.594 266 HB VAL 33 HB VAL 33 9.376 21.198 6.430 267 HG11 VAL 33 HG11 VAL 33 7.001 21.581 6.005 268 HG12 VAL 33 HG12 VAL 33 7.819 22.990 6.652 269 HG13 VAL 33 HG13 VAL 33 7.420 22.924 4.917 270 HG21 VAL 33 HG21 VAL 33 9.787 20.005 4.314 271 HG22 VAL 33 HG22 VAL 33 8.126 19.859 4.843 272 HG23 VAL 33 HG23 VAL 33 8.505 20.977 3.528 273 H THR 34 H THR 34 11.786 21.139 3.819 274 HA THR 34 HA THR 34 11.436 22.509 1.173 275 HB THR 34 HB THR 34 14.011 21.437 2.379 276 HG1 THR 34 HG1 THR 34 13.208 24.100 1.807 277 HG21 THR 34 HG21 THR 34 15.099 22.656 0.461 278 HG22 THR 34 HG22 THR 34 14.183 21.220 -0.024 279 HG23 THR 34 HG23 THR 34 13.486 22.846 -0.276 280 H THR 35 H THR 35 11.498 21.267 -0.661 281 HA THR 35 HA THR 35 11.110 18.314 -0.270 282 HB THR 35 HB THR 35 9.328 18.407 -1.874 283 HG1 THR 35 HG1 THR 35 9.743 21.206 -1.941 284 HG21 THR 35 HG21 THR 35 8.694 18.882 0.471 285 HG22 THR 35 HG22 THR 35 8.862 20.627 0.160 286 HG23 THR 35 HG23 THR 35 7.630 19.673 -0.707 287 H LEU 36 H LEU 36 11.167 17.015 -2.171 288 HA LEU 36 HA LEU 36 13.488 17.008 -3.736 289 HB2 LEU 36 HB2 LEU 36 12.138 15.103 -3.296 290 HB3 LEU 36 HB3 LEU 36 10.710 15.809 -4.017 291 HG LEU 36 HG LEU 36 13.056 15.377 -5.848 292 HD11 LEU 36 HD11 LEU 36 12.991 13.287 -4.562 293 HD12 LEU 36 HD12 LEU 36 11.253 13.131 -4.890 294 HD13 LEU 36 HD13 LEU 36 12.416 13.040 -6.226 295 HD21 LEU 36 HD21 LEU 36 10.038 14.888 -6.109 296 HD22 LEU 36 HD22 LEU 36 10.881 16.332 -6.696 297 HD23 LEU 36 HD23 LEU 36 11.231 14.763 -7.422 298 H PHE 37 H PHE 37 10.470 18.701 -4.410 299 HA PHE 37 HA PHE 37 10.987 19.212 -7.213 300 HB2 PHE 37 HB2 PHE 37 9.078 20.644 -5.333 301 HB3 PHE 37 HB3 PHE 37 8.979 20.557 -7.089 302 HD1 PHE 37 HD1 PHE 37 8.843 18.073 -8.088 303 HD2 PHE 37 HD2 PHE 37 7.793 19.146 -4.040 304 HE1 PHE 37 HE1 PHE 37 7.432 16.037 -7.908 305 HE2 PHE 37 HE2 PHE 37 6.396 17.101 -3.864 306 HZ PHE 37 HZ PHE 37 6.212 15.549 -5.800 307 H ASP 38 H ASP 38 12.690 20.375 -4.676 308 HA ASP 38 HA ASP 38 13.880 22.132 -4.093 309 HB2 ASP 38 HB2 ASP 38 14.723 21.922 -6.467 310 HB3 ASP 38 HB3 ASP 38 13.654 23.261 -6.900 311 H GLU 39 H GLU 39 10.891 22.157 -4.049 312 HA GLU 39 HA GLU 39 10.282 25.038 -3.804 313 HB2 GLU 39 HB2 GLU 39 8.686 23.371 -4.878 314 HB3 GLU 39 HB3 GLU 39 8.456 22.671 -3.281 315 HG2 GLU 39 HG2 GLU 39 6.647 24.193 -3.752 316 HG3 GLU 39 HG3 GLU 39 7.620 24.854 -2.438 317 H GLU 40 H GLU 40 9.781 26.035 -1.866 318 HA GLU 40 HA GLU 40 10.362 24.590 0.671 319 HB2 GLU 40 HB2 GLU 40 12.437 25.488 0.013 320 HB3 GLU 40 HB3 GLU 40 11.762 27.042 -0.437 321 HG2 GLU 40 HG2 GLU 40 11.537 26.078 2.424 322 HG3 GLU 40 HG3 GLU 40 13.086 26.669 1.831 323 H HIS 41 H HIS 41 9.241 25.194 2.383 324 HA HIS 41 HA HIS 41 7.070 27.237 2.062 325 HB2 HIS 41 HB2 HIS 41 6.830 24.513 3.359 326 HB3 HIS 41 HB3 HIS 41 5.531 25.645 2.994 327 HD2 HIS 41 HD2 HIS 41 7.557 22.788 1.531 328 HE1 HIS 41 HE1 HIS 41 5.042 24.121 -1.644 329 HE2 HIS 41 HE2 HIS 41 6.654 22.300 -0.893 330 H ALA 42 H ALA 42 6.231 28.146 3.987 331 HA ALA 42 HA ALA 42 7.666 27.639 6.539 332 HB1 ALA 42 HB1 ALA 42 7.897 30.060 6.935 333 HB2 ALA 42 HB2 ALA 42 8.809 29.540 5.492 334 HB3 ALA 42 HB3 ALA 42 7.262 30.394 5.306 335 H PHE 43 H PHE 43 6.461 27.778 8.320 336 HA PHE 43 HA PHE 43 3.604 28.625 8.182 337 HB2 PHE 43 HB2 PHE 43 4.675 26.000 9.239 338 HB3 PHE 43 HB3 PHE 43 2.997 26.557 9.311 339 HD1 PHE 43 HD1 PHE 43 1.691 26.850 7.151 340 HD2 PHE 43 HD2 PHE 43 5.558 24.941 7.272 341 HE1 PHE 43 HE1 PHE 43 1.290 25.886 4.895 342 HE2 PHE 43 HE2 PHE 43 5.165 23.997 5.022 343 HZ PHE 43 HZ PHE 43 3.046 24.484 3.813 344 HA PRO 44 HA PRO 44 5.402 30.323 12.072 345 HB2 PRO 44 HB2 PRO 44 3.892 32.609 12.183 346 HB3 PRO 44 HB3 PRO 44 5.400 32.459 11.229 347 HG2 PRO 44 HG2 PRO 44 2.537 32.171 10.264 348 HG3 PRO 44 HG3 PRO 44 3.880 33.094 9.509 349 HD2 PRO 44 HD2 PRO 44 3.149 30.607 8.693 350 HD3 PRO 44 HD3 PRO 44 4.850 31.138 8.653 351 H GLY 45 H GLY 45 4.578 30.275 14.140 352 HA2 GLY 45 HA2 GLY 45 2.993 30.008 15.853 353 HA3 GLY 45 HA3 GLY 45 1.722 29.698 14.680 354 H LEU 46 H LEU 46 4.246 27.760 13.694 355 HA LEU 46 HA LEU 46 3.185 25.408 15.195 356 HB2 LEU 46 HB2 LEU 46 4.647 25.467 12.529 357 HB3 LEU 46 HB3 LEU 46 3.993 24.055 13.330 358 HG LEU 46 HG LEU 46 2.404 26.336 12.096 359 HD11 LEU 46 HD11 LEU 46 2.474 23.348 11.538 360 HD12 LEU 46 HD12 LEU 46 1.621 24.594 10.603 361 HD13 LEU 46 HD13 LEU 46 3.390 24.551 10.624 362 HD21 LEU 46 HD21 LEU 46 1.397 23.918 13.665 363 HD22 LEU 46 HD22 LEU 46 1.172 25.631 14.096 364 HD23 LEU 46 HD23 LEU 46 0.384 24.969 12.660 365 H ALA 47 H ALA 47 4.540 23.671 15.664 366 HA ALA 47 HA ALA 47 7.476 23.986 15.599 367 HB1 ALA 47 HB1 ALA 47 5.909 23.121 18.075 368 HB2 ALA 47 HB2 ALA 47 7.673 23.064 17.889 369 HB3 ALA 47 HB3 ALA 47 6.831 24.632 17.898 370 H ILE 48 H ILE 48 8.553 21.843 15.650 371 HA ILE 48 HA ILE 48 7.039 19.784 14.229 372 HB ILE 48 HB ILE 48 9.856 19.717 15.349 373 HG12 ILE 48 HG12 ILE 48 9.102 19.925 12.406 374 HG13 ILE 48 HG13 ILE 48 9.275 21.365 13.392 375 HG21 ILE 48 HG21 ILE 48 8.382 17.776 13.495 376 HG22 ILE 48 HG22 ILE 48 10.123 17.724 13.822 377 HG23 ILE 48 HG23 ILE 48 8.991 17.429 15.124 378 HD11 ILE 48 HD11 ILE 48 11.355 20.992 12.261 379 HD12 ILE 48 HD12 ILE 48 11.618 20.677 13.975 380 HD13 ILE 48 HD13 ILE 48 11.450 19.317 12.839 381 H GLY 49 H GLY 49 5.678 18.438 15.205 382 HA2 GLY 49 HA2 GLY 49 5.653 18.205 18.139 383 HA3 GLY 49 HA3 GLY 49 4.399 17.721 16.999 384 H ARG 50 H ARG 50 5.577 15.935 15.343 385 HA ARG 50 HA ARG 50 6.868 13.789 16.941 386 HB2 ARG 50 HB2 ARG 50 4.573 13.508 17.576 387 HB3 ARG 50 HB3 ARG 50 4.006 13.729 15.927 388 HG2 ARG 50 HG2 ARG 50 4.884 11.582 15.247 389 HG3 ARG 50 HG3 ARG 50 5.683 11.347 16.819 390 HD2 ARG 50 HD2 ARG 50 3.557 11.195 17.956 391 HD3 ARG 50 HD3 ARG 50 2.683 11.730 16.501 392 HE ARG 50 HE ARG 50 4.143 9.413 15.797 393 HH11 ARG 50 HH11 ARG 50 1.471 10.083 17.978 394 HH12 ARG 50 HH12 ARG 50 0.735 8.531 17.680 395 HH21 ARG 50 HH21 ARG 50 3.070 7.609 15.309 396 HH22 ARG 50 HH22 ARG 50 1.647 7.128 16.225 397 H VAL 51 H VAL 51 7.810 12.210 15.822 398 HA VAL 51 HA VAL 51 7.776 12.256 12.839 399 HB VAL 51 HB VAL 51 10.312 12.235 14.510 400 HG11 VAL 51 HG11 VAL 51 11.420 12.492 12.271 401 HG12 VAL 51 HG12 VAL 51 10.625 10.928 12.488 402 HG13 VAL 51 HG13 VAL 51 9.843 12.190 11.510 403 HG21 VAL 51 HG21 VAL 51 9.373 14.503 14.480 404 HG22 VAL 51 HG22 VAL 51 10.832 14.406 13.506 405 HG23 VAL 51 HG23 VAL 51 9.247 14.441 12.707 406 H ASP 52 H ASP 52 7.217 10.269 12.216 407 HA ASP 52 HA ASP 52 8.008 7.885 13.862 408 HB2 ASP 52 HB2 ASP 52 5.783 8.185 11.818 409 HB3 ASP 52 HB3 ASP 52 6.239 6.689 12.612 410 H LEU 53 H LEU 53 9.991 7.245 13.109 411 HA LEU 53 HA LEU 53 10.756 7.308 10.309 412 HB2 LEU 53 HB2 LEU 53 11.970 5.800 12.668 413 HB3 LEU 53 HB3 LEU 53 12.674 5.943 11.079 414 HG LEU 53 HG LEU 53 13.866 7.405 12.403 415 HD11 LEU 53 HD11 LEU 53 13.237 8.363 10.213 416 HD12 LEU 53 HD12 LEU 53 11.874 9.207 10.985 417 HD13 LEU 53 HD13 LEU 53 13.543 9.596 11.440 418 HD21 LEU 53 HD21 LEU 53 13.052 9.132 13.834 419 HD22 LEU 53 HD22 LEU 53 11.371 8.806 13.412 420 HD23 LEU 53 HD23 LEU 53 12.305 7.604 14.318 421 H ARG 54 H ARG 54 8.867 5.151 12.170 422 HA ARG 54 HA ARG 54 9.004 2.730 10.618 423 HB2 ARG 54 HB2 ARG 54 6.764 3.972 12.277 424 HB3 ARG 54 HB3 ARG 54 6.763 2.308 11.672 425 HG2 ARG 54 HG2 ARG 54 8.838 1.845 12.963 426 HG3 ARG 54 HG3 ARG 54 8.803 3.474 13.625 427 HD2 ARG 54 HD2 ARG 54 6.664 1.353 14.069 428 HD3 ARG 54 HD3 ARG 54 7.919 1.806 15.202 429 HE ARG 54 HE ARG 54 6.867 3.904 15.617 430 HH11 ARG 54 HH11 ARG 54 5.067 5.071 15.961 431 HH12 ARG 54 HH12 ARG 54 3.592 4.703 15.087 432 HH21 ARG 54 HH21 ARG 54 4.876 1.977 13.450 433 HH22 ARG 54 HH22 ARG 54 3.474 2.967 13.758 434 H SER 55 H SER 55 7.569 5.798 9.834 435 HA SER 55 HA SER 55 6.328 4.641 7.371 436 HB2 SER 55 HB2 SER 55 4.635 4.763 9.164 437 HB3 SER 55 HB3 SER 55 4.898 6.501 9.303 438 HG SER 55 HG SER 55 3.084 5.864 7.958 439 H GLY 56 H GLY 56 8.158 7.210 8.751 440 HA2 GLY 56 HA2 GLY 56 9.236 8.980 7.716 441 HA3 GLY 56 HA3 GLY 56 8.417 8.623 6.187 442 H VAL 57 H VAL 57 6.373 8.936 8.994 443 HA VAL 57 HA VAL 57 5.157 11.377 7.859 444 HB VAL 57 HB VAL 57 4.337 9.582 10.164 445 HG11 VAL 57 HG11 VAL 57 3.527 11.842 10.707 446 HG12 VAL 57 HG12 VAL 57 2.921 12.049 9.046 447 HG13 VAL 57 HG13 VAL 57 2.181 10.858 10.145 448 HG21 VAL 57 HG21 VAL 57 3.074 10.110 7.440 449 HG22 VAL 57 HG22 VAL 57 4.039 8.676 7.861 450 HG23 VAL 57 HG23 VAL 57 2.494 8.969 8.677 451 H ILE 58 H ILE 58 5.423 13.350 8.553 452 HA ILE 58 HA ILE 58 6.655 13.909 11.224 453 HB ILE 58 HB ILE 58 6.977 15.357 8.583 454 HG12 ILE 58 HG12 ILE 58 9.113 14.128 10.363 455 HG13 ILE 58 HG13 ILE 58 8.399 13.294 8.989 456 HG21 ILE 58 HG21 ILE 58 7.940 16.184 11.363 457 HG22 ILE 58 HG22 ILE 58 8.434 16.970 9.845 458 HG23 ILE 58 HG23 ILE 58 6.765 17.056 10.349 459 HD11 ILE 58 HD11 ILE 58 10.092 15.803 8.876 460 HD12 ILE 58 HD12 ILE 58 10.477 14.192 8.251 461 HD13 ILE 58 HD13 ILE 58 9.189 15.137 7.485 462 H SER 59 H SER 59 5.045 14.529 12.532 463 HA SER 59 HA SER 59 2.707 16.074 11.499 464 HB2 SER 59 HB2 SER 59 3.174 14.804 14.210 465 HB3 SER 59 HB3 SER 59 1.669 15.565 13.654 466 HG SER 59 HG SER 59 1.426 13.927 12.130 467 H LEU 60 H LEU 60 2.740 18.214 11.667 468 HA LEU 60 HA LEU 60 4.412 19.568 13.742 469 HB2 LEU 60 HB2 LEU 60 2.757 20.860 11.573 470 HB3 LEU 60 HB3 LEU 60 4.000 21.591 12.592 471 HG LEU 60 HG LEU 60 4.425 19.560 10.363 472 HD11 LEU 60 HD11 LEU 60 5.629 21.420 9.282 473 HD12 LEU 60 HD12 LEU 60 3.948 21.861 9.622 474 HD13 LEU 60 HD13 LEU 60 5.240 22.485 10.652 475 HD21 LEU 60 HD21 LEU 60 6.103 19.128 12.102 476 HD22 LEU 60 HD22 LEU 60 6.861 19.950 10.741 477 HD23 LEU 60 HD23 LEU 60 6.460 20.864 12.220 478 H ILE 61 H ILE 61 3.543 21.045 15.188 479 HA ILE 61 HA ILE 61 0.602 20.960 15.712 480 HB ILE 61 HB ILE 61 1.021 20.672 18.106 481 HG12 ILE 61 HG12 ILE 61 3.253 19.414 18.663 482 HG13 ILE 61 HG13 ILE 61 3.930 20.306 17.324 483 HG21 ILE 61 HG21 ILE 61 0.361 18.800 16.633 484 HG22 ILE 61 HG22 ILE 61 2.064 18.339 16.461 485 HG23 ILE 61 HG23 ILE 61 1.286 18.270 18.039 486 HD11 ILE 61 HD11 ILE 61 3.384 22.431 18.500 487 HD12 ILE 61 HD12 ILE 61 2.576 21.508 19.787 488 HD13 ILE 61 HD13 ILE 61 4.326 21.359 19.530 489 H GLU 62 H GLU 62 -0.248 22.729 16.881 490 HA GLU 62 HA GLU 62 1.028 25.276 16.432 491 HB2 GLU 62 HB2 GLU 62 -1.265 24.646 18.330 492 HB3 GLU 62 HB3 GLU 62 -0.781 26.214 17.708 493 HG2 GLU 62 HG2 GLU 62 -2.465 25.850 16.259 494 HG3 GLU 62 HG3 GLU 62 -1.205 25.046 15.330 495 H GLU 63 H GLU 63 2.470 26.361 17.603 496 HA GLU 63 HA GLU 63 4.062 24.769 19.252 497 HB2 GLU 63 HB2 GLU 63 5.608 26.595 19.268 498 HB3 GLU 63 HB3 GLU 63 4.813 26.498 17.721 499 HG2 GLU 63 HG2 GLU 63 4.764 28.748 17.980 500 HG3 GLU 63 HG3 GLU 63 3.192 28.353 18.641 501 H GLN 64 H GLN 64 1.703 27.122 20.323 502 HA GLN 64 HA GLN 64 1.946 26.083 23.077 503 HB2 GLN 64 HB2 GLN 64 1.978 29.058 22.408 504 HB3 GLN 64 HB3 GLN 64 1.498 28.431 23.986 505 HG2 GLN 64 HG2 GLN 64 3.684 27.379 24.325 506 HG3 GLN 64 HG3 GLN 64 4.203 27.902 22.723 507 HE21 GLN 64 HE21 GLN 64 4.152 30.345 22.306 508 HE22 GLN 64 HE22 GLN 64 4.595 31.367 23.689 509 H ASN 65 H ASN 65 0.015 26.085 24.225 510 HA ASN 65 HA ASN 65 -2.451 26.515 22.588 511 HB2 ASN 65 HB2 ASN 65 -1.984 24.140 24.405 512 HB3 ASN 65 HB3 ASN 65 -3.245 24.363 23.201 513 HD21 ASN 65 HD21 ASN 65 -1.667 25.150 20.942 514 HD22 ASN 65 HD22 ASN 65 -0.537 23.856 20.567 515 H ARG 66 H ARG 66 -1.351 28.227 24.668 516 HA ARG 66 HA ARG 66 -2.628 27.887 27.215 517 HB2 ARG 66 HB2 ARG 66 -1.505 30.419 25.942 518 HB3 ARG 66 HB3 ARG 66 -1.898 30.197 27.660 519 HG2 ARG 66 HG2 ARG 66 -0.182 28.379 27.800 520 HG3 ARG 66 HG3 ARG 66 0.236 28.663 26.096 521 HD2 ARG 66 HD2 ARG 66 0.712 31.071 26.701 522 HD3 ARG 66 HD3 ARG 66 0.548 30.635 28.400 523 HE ARG 66 HE ARG 66 2.757 30.006 26.570 524 HH11 ARG 66 HH11 ARG 66 1.384 29.029 29.671 525 HH12 ARG 66 HH12 ARG 66 2.877 28.244 30.130 526 HH21 ARG 66 HH21 ARG 66 4.506 29.024 27.199 527 HH22 ARG 66 HH22 ARG 66 4.626 28.247 28.772 528 H1 GLY -3 H1 GLY -3 23.726 -4.924 -0.813 529 H2 GLY -3 H2 GLY -3 25.262 -5.164 -1.320 530 H3 GLY -3 H3 GLY -3 24.985 -4.486 0.143 531 HA2 GLY -3 HA2 GLY -3 24.308 -7.255 -0.618 532 HA3 GLY -3 HA3 GLY -3 25.667 -6.776 0.414 533 HA PRO -2 HA PRO -2 21.979 -7.897 3.017 534 HB2 PRO -2 HB2 PRO -2 24.207 -9.147 4.617 535 HB3 PRO -2 HB3 PRO -2 22.552 -9.757 4.310 536 HG2 PRO -2 HG2 PRO -2 24.646 -10.768 2.921 537 HG3 PRO -2 HG3 PRO -2 23.134 -10.355 2.047 538 HD2 PRO -2 HD2 PRO -2 25.661 -8.689 2.296 539 HD3 PRO -2 HD3 PRO -2 24.718 -9.092 0.825 540 H GLY -1 H GLY -1 21.246 -6.997 4.931 541 HA2 GLY -1 HA2 GLY -1 22.571 -5.972 7.121 542 HA3 GLY -1 HA3 GLY -1 22.550 -4.617 5.987 543 H SER 0 H SER 0 21.206 -4.863 8.582 544 HA SER 0 HA SER 0 18.355 -5.188 8.172 545 HB2 SER 0 HB2 SER 0 19.462 -5.479 10.351 546 HB3 SER 0 HB3 SER 0 19.858 -3.751 10.385 547 HG SER 0 HG SER 0 17.933 -4.295 11.547 548 H MET 1 H MET 1 20.491 -2.350 8.314 549 HA MET 1 HA MET 1 20.320 -0.188 7.687 550 HB2 MET 1 HB2 MET 1 18.461 -1.201 5.516 551 HB3 MET 1 HB3 MET 1 19.483 0.231 5.484 552 HG2 MET 1 HG2 MET 1 20.365 -2.660 5.450 553 HG3 MET 1 HG3 MET 1 20.495 -1.487 4.151 554 HE1 MET 1 HE1 MET 1 22.207 0.507 4.051 555 HE2 MET 1 HE2 MET 1 21.700 1.152 5.633 556 HE3 MET 1 HE3 MET 1 23.419 0.852 5.305 557 H CYS 2 H CYS 2 18.256 1.327 6.476 558 HA CYS 2 HA CYS 2 16.604 2.775 6.974 559 HB2 CYS 2 HB2 CYS 2 15.417 0.517 6.805 560 HB3 CYS 2 HB3 CYS 2 15.268 0.577 8.564 561 HG CYS 2 HG CYS 2 13.001 1.264 7.413 562 H MET 3 H MET 3 15.066 3.458 8.988 563 HA MET 3 HA MET 3 14.914 4.854 10.724 564 HB2 MET 3 HB2 MET 3 16.875 2.928 11.989 565 HB3 MET 3 HB3 MET 3 16.072 4.211 12.865 566 HG2 MET 3 HG2 MET 3 13.902 3.327 12.486 567 HG3 MET 3 HG3 MET 3 14.457 2.226 11.236 568 HE1 MET 3 HE1 MET 3 16.889 0.673 12.221 569 HE2 MET 3 HE2 MET 3 16.072 -0.717 12.981 570 HE3 MET 3 HE3 MET 3 15.422 -0.001 11.487 571 H ALA 4 H ALA 4 15.755 6.498 12.044 572 HA ALA 4 HA ALA 4 18.119 7.899 10.890 573 HB1 ALA 4 HB1 ALA 4 15.940 9.064 10.817 574 HB2 ALA 4 HB2 ALA 4 15.795 8.904 12.582 575 HB3 ALA 4 HB3 ALA 4 17.068 9.913 11.876 576 H LYS 5 H LYS 5 19.158 9.406 12.632 577 HA LYS 5 HA LYS 5 19.218 8.170 15.354 578 HB2 LYS 5 HB2 LYS 5 21.490 8.844 15.702 579 HB3 LYS 5 HB3 LYS 5 21.405 7.818 14.265 580 HG2 LYS 5 HG2 LYS 5 21.670 9.796 12.803 581 HG3 LYS 5 HG3 LYS 5 21.565 10.874 14.206 582 HD2 LYS 5 HD2 LYS 5 23.607 9.835 15.160 583 HD3 LYS 5 HD3 LYS 5 23.752 8.802 13.712 584 HE2 LYS 5 HE2 LYS 5 24.028 10.779 12.290 585 HE3 LYS 5 HE3 LYS 5 23.692 11.855 13.654 586 HZ1 LYS 5 HZ1 LYS 5 26.076 11.659 13.274 587 HZ2 LYS 5 HZ2 LYS 5 25.697 11.039 14.744 588 HZ3 LYS 5 HZ3 LYS 5 26.032 10.038 13.487 589 H VAL 6 H VAL 6 19.274 9.560 17.105 590 HA VAL 6 HA VAL 6 18.392 12.372 16.605 591 HB VAL 6 HB VAL 6 18.026 10.612 19.036 592 HG11 VAL 6 HG11 VAL 6 16.703 12.489 20.002 593 HG12 VAL 6 HG12 VAL 6 18.426 12.862 19.889 594 HG13 VAL 6 HG13 VAL 6 17.287 13.538 18.695 595 HG21 VAL 6 HG21 VAL 6 16.444 10.256 17.142 596 HG22 VAL 6 HG22 VAL 6 15.646 10.907 18.579 597 HG23 VAL 6 HG23 VAL 6 16.013 11.969 17.206 598 H VAL 7 H VAL 7 19.553 14.079 17.446 599 HA VAL 7 HA VAL 7 21.771 13.518 19.340 600 HB VAL 7 HB VAL 7 22.820 13.770 17.158 601 HG11 VAL 7 HG11 VAL 7 22.839 15.911 15.945 602 HG12 VAL 7 HG12 VAL 7 21.218 15.225 15.995 603 HG13 VAL 7 HG13 VAL 7 21.634 16.587 17.063 604 HG21 VAL 7 HG21 VAL 7 23.387 16.240 18.852 605 HG22 VAL 7 HG22 VAL 7 23.980 14.608 19.211 606 HG23 VAL 7 HG23 VAL 7 24.482 15.420 17.719 607 H LEU 8 H LEU 8 22.122 14.999 20.932 608 HA LEU 8 HA LEU 8 20.587 17.508 21.054 609 HB2 LEU 8 HB2 LEU 8 19.432 16.965 23.106 610 HB3 LEU 8 HB3 LEU 8 19.030 15.804 21.854 611 HG LEU 8 HG LEU 8 21.016 14.382 23.031 612 HD11 LEU 8 HD11 LEU 8 21.549 16.038 24.791 613 HD12 LEU 8 HD12 LEU 8 19.840 16.065 25.293 614 HD13 LEU 8 HD13 LEU 8 20.825 14.611 25.507 615 HD21 LEU 8 HD21 LEU 8 18.694 13.611 22.715 616 HD22 LEU 8 HD22 LEU 8 19.295 13.205 24.321 617 HD23 LEU 8 HD23 LEU 8 18.178 14.574 24.126 618 H THR 9 H THR 9 21.125 18.844 22.908 619 HA THR 9 HA THR 9 23.862 18.356 24.019 620 HB THR 9 HB THR 9 22.656 21.084 23.448 621 HG1 THR 9 HG1 THR 9 23.075 20.046 21.512 622 HG21 THR 9 HG21 THR 9 25.472 20.145 24.161 623 HG22 THR 9 HG22 THR 9 25.034 21.807 23.690 624 HG23 THR 9 HG23 THR 9 24.388 21.112 25.186 625 H LYS 10 H LYS 10 24.034 18.356 26.151 626 HA LYS 10 HA LYS 10 21.698 18.647 27.907 627 HB2 LYS 10 HB2 LYS 10 24.616 17.982 28.489 628 HB3 LYS 10 HB3 LYS 10 23.294 17.876 29.653 629 HG2 LYS 10 HG2 LYS 10 22.136 16.214 28.183 630 HG3 LYS 10 HG3 LYS 10 23.550 16.208 27.113 631 HD2 LYS 10 HD2 LYS 10 23.619 15.453 30.070 632 HD3 LYS 10 HD3 LYS 10 23.502 14.302 28.733 633 HE2 LYS 10 HE2 LYS 10 25.661 15.120 27.828 634 HE3 LYS 10 HE3 LYS 10 25.811 16.254 29.179 635 HZ1 LYS 10 HZ1 LYS 10 25.812 14.340 30.694 636 HZ2 LYS 10 HZ2 LYS 10 25.687 13.294 29.446 637 HZ3 LYS 10 HZ3 LYS 10 27.032 14.199 29.615 638 H ALA 11 H ALA 11 21.805 19.870 29.938 639 HA ALA 11 HA ALA 11 22.337 22.643 29.585 640 HB1 ALA 11 HB1 ALA 11 20.642 21.732 31.107 641 HB2 ALA 11 HB2 ALA 11 21.913 21.015 32.135 642 HB3 ALA 11 HB3 ALA 11 21.776 22.780 31.992 643 H ASP 12 H ASP 12 24.444 20.087 30.773 644 HA ASP 12 HA ASP 12 26.518 21.869 31.844 645 HB2 ASP 12 HB2 ASP 12 26.541 18.902 31.167 646 HB3 ASP 12 HB3 ASP 12 27.824 19.760 32.016 647 H GLY 13 H GLY 13 25.570 21.329 28.687 648 HA2 GLY 13 HA2 GLY 13 26.545 22.146 26.753 649 HA3 GLY 13 HA3 GLY 13 28.092 22.335 27.572 650 H GLY 14 H GLY 14 27.273 19.204 28.248 651 HA2 GLY 14 HA2 GLY 14 28.952 18.013 26.150 652 HA3 GLY 14 HA3 GLY 14 28.130 17.162 27.454 653 H ARG 15 H ARG 15 28.242 16.388 24.658 654 HA ARG 15 HA ARG 15 25.368 16.615 23.817 655 HB2 ARG 15 HB2 ARG 15 27.891 16.293 22.166 656 HB3 ARG 15 HB3 ARG 15 26.254 16.020 21.530 657 HG2 ARG 15 HG2 ARG 15 25.593 18.308 22.193 658 HG3 ARG 15 HG3 ARG 15 27.223 18.634 22.793 659 HD2 ARG 15 HD2 ARG 15 26.486 17.942 19.916 660 HD3 ARG 15 HD3 ARG 15 26.734 19.568 20.512 661 HE ARG 15 HE ARG 15 28.795 17.582 19.879 662 HH11 ARG 15 HH11 ARG 15 30.931 18.137 19.913 663 HH12 ARG 15 HH12 ARG 15 31.441 19.582 20.740 664 HH21 ARG 15 HH21 ARG 15 28.284 20.536 21.688 665 HH22 ARG 15 HH22 ARG 15 29.985 20.930 21.696 666 H VAL 16 H VAL 16 24.301 14.915 22.936 667 HA VAL 16 HA VAL 16 25.276 12.158 23.542 668 HB VAL 16 HB VAL 16 22.603 13.335 24.399 669 HG11 VAL 16 HG11 VAL 16 22.165 11.138 25.453 670 HG12 VAL 16 HG12 VAL 16 22.251 11.012 23.703 671 HG13 VAL 16 HG13 VAL 16 23.646 10.491 24.695 672 HG21 VAL 16 HG21 VAL 16 24.936 12.308 26.068 673 HG22 VAL 16 HG22 VAL 16 24.358 13.991 25.964 674 HG23 VAL 16 HG23 VAL 16 23.331 12.762 26.697 675 H GLU 17 H GLU 17 24.594 10.610 22.154 676 HA GLU 17 HA GLU 17 22.719 11.337 19.943 677 HB2 GLU 17 HB2 GLU 17 25.323 9.787 19.693 678 HB3 GLU 17 HB3 GLU 17 24.092 9.906 18.434 679 HG2 GLU 17 HG2 GLU 17 24.372 12.352 18.350 680 HG3 GLU 17 HG3 GLU 17 25.628 12.271 19.594 681 H ILE 18 H ILE 18 21.348 9.764 19.221 682 HA ILE 18 HA ILE 18 21.347 7.092 20.578 683 HB ILE 18 HB ILE 18 18.920 8.836 20.077 684 HG12 ILE 18 HG12 ILE 18 19.925 7.917 22.806 685 HG13 ILE 18 HG13 ILE 18 20.407 9.467 22.117 686 HG21 ILE 18 HG21 ILE 18 19.142 6.071 21.366 687 HG22 ILE 18 HG22 ILE 18 17.660 7.024 21.205 688 HG23 ILE 18 HG23 ILE 18 18.456 6.420 19.763 689 HD11 ILE 18 HD11 ILE 18 17.554 8.666 22.741 690 HD12 ILE 18 HD12 ILE 18 18.570 9.853 23.581 691 HD13 ILE 18 HD13 ILE 18 18.052 10.167 21.918 692 H GLY 19 H GLY 19 21.786 5.696 18.996 693 HA2 GLY 19 HA2 GLY 19 21.219 6.256 16.175 694 HA3 GLY 19 HA3 GLY 19 22.052 4.845 16.821 695 H ASP 20 H ASP 20 20.064 4.940 14.758 696 HA ASP 20 HA ASP 20 18.271 3.831 13.959 697 HB2 ASP 20 HB2 ASP 20 19.204 1.790 15.981 698 HB3 ASP 20 HB3 ASP 20 18.177 1.461 14.571 699 H VAL 21 H VAL 21 17.127 5.700 15.235 700 HA VAL 21 HA VAL 21 15.237 4.766 17.258 701 HB VAL 21 HB VAL 21 14.289 7.010 17.166 702 HG11 VAL 21 HG11 VAL 21 16.242 8.138 18.167 703 HG12 VAL 21 HG12 VAL 21 16.086 6.472 18.727 704 HG13 VAL 21 HG13 VAL 21 17.315 6.904 17.507 705 HG21 VAL 21 HG21 VAL 21 14.922 7.569 14.753 706 HG22 VAL 21 HG22 VAL 21 15.206 8.823 15.962 707 HG23 VAL 21 HG23 VAL 21 16.566 7.861 15.363 708 H LEU 22 H LEU 22 13.180 4.267 17.072 709 HA LEU 22 HA LEU 22 11.925 3.861 14.414 710 HB2 LEU 22 HB2 LEU 22 11.049 3.270 17.277 711 HB3 LEU 22 HB3 LEU 22 10.035 2.957 15.881 712 HG LEU 22 HG LEU 22 12.733 1.636 16.344 713 HD11 LEU 22 HD11 LEU 22 11.355 -0.373 16.868 714 HD12 LEU 22 HD12 LEU 22 11.056 0.947 18.019 715 HD13 LEU 22 HD13 LEU 22 9.888 0.606 16.732 716 HD21 LEU 22 HD21 LEU 22 12.047 0.088 14.584 717 HD22 LEU 22 HD22 LEU 22 10.519 0.948 14.368 718 HD23 LEU 22 HD23 LEU 22 12.053 1.720 13.931 719 H GLU 23 H GLU 23 11.673 6.040 17.270 720 HA GLU 23 HA GLU 23 9.794 7.787 15.828 721 HB2 GLU 23 HB2 GLU 23 8.409 5.918 16.661 722 HB3 GLU 23 HB3 GLU 23 8.936 6.252 18.316 723 HG2 GLU 23 HG2 GLU 23 7.853 8.393 18.336 724 HG3 GLU 23 HG3 GLU 23 7.527 8.321 16.601 725 H VAL 24 H VAL 24 9.722 9.844 16.594 726 HA VAL 24 HA VAL 24 11.025 10.529 19.184 727 HB VAL 24 HB VAL 24 11.614 12.133 16.685 728 HG11 VAL 24 HG11 VAL 24 13.517 12.937 18.048 729 HG12 VAL 24 HG12 VAL 24 11.978 13.248 18.856 730 HG13 VAL 24 HG13 VAL 24 13.001 11.894 19.384 731 HG21 VAL 24 HG21 VAL 24 12.583 9.976 16.133 732 HG22 VAL 24 HG22 VAL 24 13.863 11.078 16.594 733 HG23 VAL 24 HG23 VAL 24 13.303 9.847 17.741 734 H ARG 25 H ARG 25 9.926 12.202 20.257 735 HA ARG 25 HA ARG 25 8.195 14.031 18.766 736 HB2 ARG 25 HB2 ARG 25 6.092 13.447 19.798 737 HB3 ARG 25 HB3 ARG 25 6.694 12.156 18.776 738 HG2 ARG 25 HG2 ARG 25 6.730 12.159 21.820 739 HG3 ARG 25 HG3 ARG 25 5.585 11.329 20.757 740 HD2 ARG 25 HD2 ARG 25 7.544 10.040 19.797 741 HD3 ARG 25 HD3 ARG 25 8.520 10.714 21.118 742 HE ARG 25 HE ARG 25 6.119 9.472 22.117 743 HH11 ARG 25 HH11 ARG 25 9.283 8.584 20.898 744 HH12 ARG 25 HH12 ARG 25 9.294 7.081 21.793 745 HH21 ARG 25 HH21 ARG 25 6.291 7.636 23.328 746 HH22 ARG 25 HH22 ARG 25 7.800 6.747 23.373 747 H ALA 26 H ALA 26 7.492 15.773 19.791 748 HA ALA 26 HA ALA 26 8.661 16.387 22.455 749 HB1 ALA 26 HB1 ALA 26 7.677 18.227 20.236 750 HB2 ALA 26 HB2 ALA 26 8.370 18.727 21.792 751 HB3 ALA 26 HB3 ALA 26 9.371 17.855 20.612 752 H GLU 27 H GLU 27 7.337 16.393 24.121 753 HA GLU 27 HA GLU 27 4.480 17.115 23.934 754 HB2 GLU 27 HB2 GLU 27 4.620 14.731 23.236 755 HB3 GLU 27 HB3 GLU 27 5.355 14.313 24.773 756 HG2 GLU 27 HG2 GLU 27 2.643 15.707 24.587 757 HG3 GLU 27 HG3 GLU 27 2.798 13.969 24.351 758 H GLY 28 H GLY 28 3.743 18.022 25.812 759 HA2 GLY 28 HA2 GLY 28 3.647 18.728 27.981 760 HA3 GLY 28 HA3 GLY 28 4.487 17.241 28.422 761 H GLY 29 H GLY 29 6.041 19.660 26.355 762 HA2 GLY 29 HA2 GLY 29 7.806 21.131 26.743 763 HA3 GLY 29 HA3 GLY 29 7.569 20.965 28.484 764 H ALA 30 H ALA 30 8.008 18.046 26.618 765 HA ALA 30 HA ALA 30 10.926 17.875 27.101 766 HB1 ALA 30 HB1 ALA 30 10.643 15.655 28.139 767 HB2 ALA 30 HB2 ALA 30 9.716 16.847 29.066 768 HB3 ALA 30 HB3 ALA 30 8.882 15.761 27.939 769 H VAL 31 H VAL 31 11.881 16.001 25.916 770 HA VAL 31 HA VAL 31 10.232 15.116 23.562 771 HB VAL 31 HB VAL 31 13.227 15.527 23.689 772 HG11 VAL 31 HG11 VAL 31 11.576 14.080 21.572 773 HG12 VAL 31 HG12 VAL 31 13.209 14.678 21.300 774 HG13 VAL 31 HG13 VAL 31 12.935 13.406 22.504 775 HG21 VAL 31 HG21 VAL 31 11.695 17.456 23.113 776 HG22 VAL 31 HG22 VAL 31 12.825 17.007 21.831 777 HG23 VAL 31 HG23 VAL 31 11.109 16.519 21.731 778 H ARG 32 H ARG 32 9.947 13.044 23.160 779 HA ARG 32 HA ARG 32 11.355 10.980 24.817 780 HB2 ARG 32 HB2 ARG 32 8.510 11.005 23.757 781 HB3 ARG 32 HB3 ARG 32 9.341 9.524 24.256 782 HG2 ARG 32 HG2 ARG 32 9.674 10.422 26.523 783 HG3 ARG 32 HG3 ARG 32 8.897 11.940 26.046 784 HD2 ARG 32 HD2 ARG 32 7.320 10.594 27.276 785 HD3 ARG 32 HD3 ARG 32 6.784 10.743 25.596 786 HE ARG 32 HE ARG 32 8.247 8.347 25.694 787 HH11 ARG 32 HH11 ARG 32 5.384 9.494 27.378 788 HH12 ARG 32 HH12 ARG 32 4.733 7.886 27.530 789 HH21 ARG 32 HH21 ARG 32 7.349 6.373 25.856 790 HH22 ARG 32 HH22 ARG 32 5.846 6.144 26.727 791 H VAL 33 H VAL 33 12.074 9.178 23.829 792 HA VAL 33 HA VAL 33 12.151 9.056 20.848 793 HB VAL 33 HB VAL 33 14.581 8.404 22.511 794 HG11 VAL 33 HG11 VAL 33 14.534 7.572 20.231 795 HG12 VAL 33 HG12 VAL 33 14.245 9.216 19.621 796 HG13 VAL 33 HG13 VAL 33 15.780 8.809 20.431 797 HG21 VAL 33 HG21 VAL 33 14.231 10.765 23.064 798 HG22 VAL 33 HG22 VAL 33 15.570 10.627 21.918 799 HG23 VAL 33 HG23 VAL 33 13.987 11.160 21.346 800 H THR 34 H THR 34 12.023 6.993 20.025 801 HA THR 34 HA THR 34 12.167 4.660 21.923 802 HB THR 34 HB THR 34 10.379 4.894 19.478 803 HG1 THR 34 HG1 THR 34 8.719 4.899 21.043 804 HG21 THR 34 HG21 THR 34 10.984 2.561 19.957 805 HG22 THR 34 HG22 THR 34 10.550 2.789 21.672 806 HG23 THR 34 HG23 THR 34 9.302 2.861 20.417 807 H THR 35 H THR 35 13.563 3.071 21.360 808 HA THR 35 HA THR 35 14.986 3.227 18.733 809 HB THR 35 HB THR 35 16.769 1.993 19.722 810 HG1 THR 35 HG1 THR 35 15.303 1.984 22.125 811 HG21 THR 35 HG21 THR 35 17.598 3.510 21.403 812 HG22 THR 35 HG22 THR 35 16.788 4.436 20.130 813 HG23 THR 35 HG23 THR 35 15.973 4.176 21.692 814 H LEU 36 H LEU 36 15.690 1.183 17.744 815 HA LEU 36 HA LEU 36 13.582 -0.599 17.217 816 HB2 LEU 36 HB2 LEU 36 15.048 -1.728 15.829 817 HB3 LEU 36 HB3 LEU 36 15.635 -0.068 15.805 818 HG LEU 36 HG LEU 36 16.864 -2.406 17.339 819 HD11 LEU 36 HD11 LEU 36 18.682 -2.208 15.689 820 HD12 LEU 36 HD12 LEU 36 17.143 -2.543 14.893 821 HD13 LEU 36 HD13 LEU 36 17.807 -0.900 14.865 822 HD21 LEU 36 HD21 LEU 36 18.816 -0.815 17.639 823 HD22 LEU 36 HD22 LEU 36 17.750 0.496 17.078 824 HD23 LEU 36 HD23 LEU 36 17.393 -0.388 18.573 825 H PHE 37 H PHE 37 15.674 -0.691 19.961 826 HA PHE 37 HA PHE 37 15.335 -3.536 20.571 827 HB2 PHE 37 HB2 PHE 37 16.303 -1.270 22.336 828 HB3 PHE 37 HB3 PHE 37 16.517 -2.986 22.617 829 HD1 PHE 37 HD1 PHE 37 18.227 -0.145 21.664 830 HD2 PHE 37 HD2 PHE 37 17.669 -4.236 20.427 831 HE1 PHE 37 HE1 PHE 37 20.410 -0.084 20.483 832 HE2 PHE 37 HE2 PHE 37 19.845 -4.181 19.238 833 HZ PHE 37 HZ PHE 37 21.239 -2.099 19.276 834 H ASP 38 H ASP 38 13.155 -1.052 20.617 835 HA ASP 38 HA ASP 38 11.326 -0.436 21.693 836 HB2 ASP 38 HB2 ASP 38 10.737 -2.893 21.471 837 HB3 ASP 38 HB3 ASP 38 11.206 -3.081 23.161 838 H GLU 39 H GLU 39 14.086 -0.178 22.918 839 HA GLU 39 HA GLU 39 13.462 0.559 25.709 840 HB2 GLU 39 HB2 GLU 39 15.682 -0.342 25.190 841 HB3 GLU 39 HB3 GLU 39 15.964 0.959 24.033 842 HG2 GLU 39 HG2 GLU 39 15.856 2.641 25.825 843 HG3 GLU 39 HG3 GLU 39 15.419 1.397 26.994 844 H GLU 40 H GLU 40 12.955 2.613 26.353 845 HA GLU 40 HA GLU 40 12.890 4.762 24.285 846 HB2 GLU 40 HB2 GLU 40 11.046 4.385 26.665 847 HB3 GLU 40 HB3 GLU 40 11.115 5.830 25.654 848 HG2 GLU 40 HG2 GLU 40 10.634 4.368 23.658 849 HG3 GLU 40 HG3 GLU 40 10.339 3.026 24.773 850 H HIS 41 H HIS 41 13.300 6.855 24.878 851 HA HIS 41 HA HIS 41 14.819 7.369 27.399 852 HB2 HIS 41 HB2 HIS 41 15.668 8.319 24.647 853 HB3 HIS 41 HB3 HIS 41 16.464 8.669 26.170 854 HD2 HIS 41 HD2 HIS 41 16.256 6.043 23.447 855 HE1 HIS 41 HE1 HIS 41 18.830 4.383 26.426 856 HE2 HIS 41 HE2 HIS 41 17.941 4.099 24.056 857 H ALA 42 H ALA 42 14.693 9.558 28.137 858 HA ALA 42 HA ALA 42 12.728 11.323 26.802 859 HB1 ALA 42 HB1 ALA 42 11.379 11.517 28.845 860 HB2 ALA 42 HB2 ALA 42 11.406 9.828 28.275 861 HB3 ALA 42 HB3 ALA 42 12.407 10.323 29.657 862 H PHE 43 H PHE 43 12.995 13.418 27.116 863 HA PHE 43 HA PHE 43 15.210 14.411 28.867 864 HB2 PHE 43 HB2 PHE 43 14.883 14.928 25.913 865 HB3 PHE 43 HB3 PHE 43 16.121 15.601 26.972 866 HD1 PHE 43 HD1 PHE 43 17.858 14.075 27.989 867 HD2 PHE 43 HD2 PHE 43 15.083 12.725 24.979 868 HE1 PHE 43 HE1 PHE 43 19.264 12.072 27.595 869 HE2 PHE 43 HE2 PHE 43 16.500 10.730 24.577 870 HZ PHE 43 HZ PHE 43 18.586 10.392 25.894 871 HA PRO 44 HA PRO 44 11.799 17.418 29.478 872 HB2 PRO 44 HB2 PRO 44 13.554 17.959 31.857 873 HB3 PRO 44 HB3 PRO 44 11.770 17.893 31.757 874 HG2 PRO 44 HG2 PRO 44 13.144 15.805 32.786 875 HG3 PRO 44 HG3 PRO 44 11.797 15.501 31.639 876 HD2 PRO 44 HD2 PRO 44 14.777 15.596 31.055 877 HD3 PRO 44 HD3 PRO 44 13.573 14.367 30.561 878 H GLY 45 H GLY 45 11.699 19.563 28.993 879 HA2 GLY 45 HA2 GLY 45 12.354 21.734 28.641 880 HA3 GLY 45 HA3 GLY 45 14.019 21.353 29.098 881 H LEU 46 H LEU 46 13.093 19.133 26.739 882 HA LEU 46 HA LEU 46 14.321 20.749 24.567 883 HB2 LEU 46 HB2 LEU 46 13.973 17.746 24.766 884 HB3 LEU 46 HB3 LEU 46 14.718 18.606 23.426 885 HG LEU 46 HG LEU 46 15.778 18.372 26.271 886 HD11 LEU 46 HD11 LEU 46 16.061 16.454 24.626 887 HD12 LEU 46 HD12 LEU 46 16.975 17.550 23.589 888 HD13 LEU 46 HD13 LEU 46 17.582 17.157 25.211 889 HD21 LEU 46 HD21 LEU 46 17.777 19.585 25.431 890 HD22 LEU 46 HD22 LEU 46 16.921 19.963 23.924 891 HD23 LEU 46 HD23 LEU 46 16.365 20.628 25.481 892 H ALA 47 H ALA 47 13.615 20.570 22.457 893 HA ALA 47 HA ALA 47 11.053 19.306 21.770 894 HB1 ALA 47 HB1 ALA 47 11.651 22.235 21.186 895 HB2 ALA 47 HB2 ALA 47 10.293 21.312 20.515 896 HB3 ALA 47 HB3 ALA 47 10.369 21.609 22.249 897 H ILE 48 H ILE 48 10.915 19.010 19.350 898 HA ILE 48 HA ILE 48 13.520 18.340 18.226 899 HB ILE 48 HB ILE 48 10.750 18.281 16.996 900 HG12 ILE 48 HG12 ILE 48 12.439 15.868 17.756 901 HG13 ILE 48 HG13 ILE 48 11.420 16.647 18.961 902 HG21 ILE 48 HG21 ILE 48 13.430 17.257 15.928 903 HG22 ILE 48 HG22 ILE 48 11.861 16.819 15.236 904 HG23 ILE 48 HG23 ILE 48 12.406 18.495 15.186 905 HD11 ILE 48 HD11 ILE 48 10.239 14.778 17.964 906 HD12 ILE 48 HD12 ILE 48 9.415 16.300 17.559 907 HD13 ILE 48 HD13 ILE 48 10.425 15.467 16.344 908 H GLY 49 H GLY 49 14.834 19.609 17.107 909 HA2 GLY 49 HA2 GLY 49 13.986 22.364 16.318 910 HA3 GLY 49 HA3 GLY 49 15.620 21.786 16.593 911 H ARG 50 H ARG 50 15.468 19.390 14.936 912 HA ARG 50 HA ARG 50 14.804 20.314 12.203 913 HB2 ARG 50 HB2 ARG 50 16.973 21.341 12.635 914 HB3 ARG 50 HB3 ARG 50 17.661 19.785 13.094 915 HG2 ARG 50 HG2 ARG 50 17.501 18.933 10.838 916 HG3 ARG 50 HG3 ARG 50 16.586 20.359 10.307 917 HD2 ARG 50 HD2 ARG 50 18.513 21.807 10.831 918 HD3 ARG 50 HD3 ARG 50 19.436 20.401 11.396 919 HE ARG 50 HE ARG 50 18.669 21.062 8.577 920 HH11 ARG 50 HH11 ARG 50 20.395 18.728 10.602 921 HH12 ARG 50 HH12 ARG 50 21.078 17.972 9.183 922 HH21 ARG 50 HH21 ARG 50 19.558 20.097 6.978 923 HH22 ARG 50 HH22 ARG 50 20.512 18.619 7.191 924 H VAL 51 H VAL 51 14.654 18.784 10.694 925 HA VAL 51 HA VAL 51 15.310 15.939 11.292 926 HB VAL 51 HB VAL 51 12.732 16.868 9.976 927 HG11 VAL 51 HG11 VAL 51 12.087 14.473 10.152 928 HG12 VAL 51 HG12 VAL 51 13.470 14.713 9.081 929 HG13 VAL 51 HG13 VAL 51 13.721 14.092 10.729 930 HG21 VAL 51 HG21 VAL 51 13.091 15.637 12.727 931 HG22 VAL 51 HG22 VAL 51 12.581 17.291 12.389 932 HG23 VAL 51 HG23 VAL 51 11.539 15.959 11.916 933 H ASP 52 H ASP 52 16.503 15.095 9.701 934 HA ASP 52 HA ASP 52 16.570 16.389 7.002 935 HB2 ASP 52 HB2 ASP 52 18.314 17.274 8.425 936 HB3 ASP 52 HB3 ASP 52 18.884 15.660 8.829 937 H LEU 53 H LEU 53 15.804 14.894 5.653 938 HA LEU 53 HA LEU 53 16.198 12.019 6.114 939 HB2 LEU 53 HB2 LEU 53 14.786 13.553 3.881 940 HB3 LEU 53 HB3 LEU 53 14.798 11.817 4.085 941 HG LEU 53 HG LEU 53 12.731 12.480 4.817 942 HD11 LEU 53 HD11 LEU 53 13.800 10.887 6.381 943 HD12 LEU 53 HD12 LEU 53 14.292 12.249 7.420 944 HD13 LEU 53 HD13 LEU 53 12.579 11.904 7.173 945 HD21 LEU 53 HD21 LEU 53 13.104 14.896 5.076 946 HD22 LEU 53 HD22 LEU 53 12.161 14.215 6.409 947 HD23 LEU 53 HD23 LEU 53 13.856 14.603 6.664 948 H ARG 54 H ARG 54 17.963 14.446 4.426 949 HA ARG 54 HA ARG 54 19.047 12.721 2.303 950 HB2 ARG 54 HB2 ARG 54 20.075 15.392 3.350 951 HB3 ARG 54 HB3 ARG 54 20.549 14.585 1.867 952 HG2 ARG 54 HG2 ARG 54 18.183 14.768 1.023 953 HG3 ARG 54 HG3 ARG 54 17.757 15.667 2.487 954 HD2 ARG 54 HD2 ARG 54 18.136 17.284 0.781 955 HD3 ARG 54 HD3 ARG 54 19.503 17.380 1.892 956 HE ARG 54 HE ARG 54 20.174 15.576 -0.221 957 HH11 ARG 54 HH11 ARG 54 19.624 19.013 0.137 958 HH12 ARG 54 HH12 ARG 54 20.671 19.410 -1.202 959 HH21 ARG 54 HH21 ARG 54 21.477 16.139 -1.921 960 HH22 ARG 54 HH22 ARG 54 21.677 17.817 -2.355 961 H SER 55 H SER 55 19.891 13.446 5.602 962 HA SER 55 HA SER 55 22.240 11.581 5.425 963 HB2 SER 55 HB2 SER 55 21.802 13.914 7.312 964 HB3 SER 55 HB3 SER 55 23.191 12.815 7.342 965 HG SER 55 HG SER 55 23.813 13.545 5.312 966 H GLY 56 H GLY 56 19.102 11.837 6.818 967 HA2 GLY 56 HA2 GLY 56 17.964 10.330 8.136 968 HA3 GLY 56 HA3 GLY 56 19.417 9.330 8.259 969 H VAL 57 H VAL 57 18.790 12.732 9.240 970 HA VAL 57 HA VAL 57 19.668 12.062 12.034 971 HB VAL 57 HB VAL 57 20.544 14.429 10.344 972 HG11 VAL 57 HG11 VAL 57 21.137 13.766 13.267 973 HG12 VAL 57 HG12 VAL 57 21.983 15.000 12.302 974 HG13 VAL 57 HG13 VAL 57 20.272 15.191 12.657 975 HG21 VAL 57 HG21 VAL 57 22.061 12.065 11.523 976 HG22 VAL 57 HG22 VAL 57 21.786 12.380 9.798 977 HG23 VAL 57 HG23 VAL 57 22.818 13.477 10.736 978 H ILE 58 H ILE 58 18.575 12.880 13.642 979 HA ILE 58 HA ILE 58 16.627 15.117 13.257 980 HB ILE 58 HB ILE 58 16.443 12.598 14.939 981 HG12 ILE 58 HG12 ILE 58 14.475 13.830 12.963 982 HG13 ILE 58 HG13 ILE 58 15.644 12.581 12.532 983 HG21 ILE 58 HG21 ILE 58 14.738 15.123 15.179 984 HG22 ILE 58 HG22 ILE 58 14.343 13.576 15.929 985 HG23 ILE 58 HG23 ILE 58 15.795 14.417 16.440 986 HD11 ILE 58 HD11 ILE 58 13.541 11.512 12.876 987 HD12 ILE 58 HD12 ILE 58 14.604 11.067 14.221 988 HD13 ILE 58 HD13 ILE 58 13.310 12.277 14.447 989 H SER 59 H SER 59 16.869 16.818 14.645 990 HA SER 59 HA SER 59 18.970 16.626 16.776 991 HB2 SER 59 HB2 SER 59 19.878 17.692 14.743 992 HB3 SER 59 HB3 SER 59 18.602 18.919 14.844 993 HG SER 59 HG SER 59 20.608 19.570 15.816 994 H LEU 60 H LEU 60 18.498 17.480 18.683 995 HA LEU 60 HA LEU 60 15.838 18.791 19.034 996 HB2 LEU 60 HB2 LEU 60 17.590 17.562 21.164 997 HB3 LEU 60 HB3 LEU 60 15.904 18.059 21.311 998 HG LEU 60 HG LEU 60 16.994 15.677 19.750 999 HD11 LEU 60 HD11 LEU 60 16.816 15.380 22.191 1000 HD12 LEU 60 HD12 LEU 60 15.125 15.895 22.133 1001 HD13 LEU 60 HD13 LEU 60 15.636 14.383 21.342 1002 HD21 LEU 60 HD21 LEU 60 14.131 16.683 19.922 1003 HD22 LEU 60 HD22 LEU 60 15.118 16.563 18.452 1004 HD23 LEU 60 HD23 LEU 60 14.623 15.087 19.285 1005 H ILE 61 H ILE 61 15.566 20.554 20.368 1006 HA ILE 61 HA ILE 61 17.929 22.202 21.139 1007 HB ILE 61 HB ILE 61 16.818 24.230 20.324 1008 HG12 ILE 61 HG12 ILE 61 15.200 23.853 18.312 1009 HG13 ILE 61 HG13 ILE 61 14.791 22.330 19.078 1010 HG21 ILE 61 HG21 ILE 61 17.414 22.218 18.121 1011 HG22 ILE 61 HG22 ILE 61 17.517 23.980 18.017 1012 HG23 ILE 61 HG23 ILE 61 18.625 23.108 19.081 1013 HD11 ILE 61 HD11 ILE 61 13.221 24.199 19.597 1014 HD12 ILE 61 HD12 ILE 61 13.960 23.582 21.073 1015 HD13 ILE 61 HD13 ILE 61 14.547 25.106 20.355 1016 H GLU 62 H GLU 62 17.434 23.829 22.778 1017 HA GLU 62 HA GLU 62 15.581 22.815 24.794 1018 HB2 GLU 62 HB2 GLU 62 17.377 25.255 24.675 1019 HB3 GLU 62 HB3 GLU 62 16.271 24.935 26.020 1020 HG2 GLU 62 HG2 GLU 62 17.353 22.777 26.449 1021 HG3 GLU 62 HG3 GLU 62 18.475 23.036 25.112 1022 H GLU 63 H GLU 63 13.548 23.421 25.243 1023 HA GLU 63 HA GLU 63 12.144 24.860 23.158 1024 HB2 GLU 63 HB2 GLU 63 10.189 23.942 24.083 1025 HB3 GLU 63 HB3 GLU 63 11.442 22.731 24.194 1026 HG2 GLU 63 HG2 GLU 63 10.514 22.459 26.245 1027 HG3 GLU 63 HG3 GLU 63 11.767 23.619 26.661 1028 H GLN 64 H GLN 64 13.616 26.097 25.840 1029 HA GLN 64 HA GLN 64 11.680 28.227 26.404 1030 HB2 GLN 64 HB2 GLN 64 14.420 27.517 27.495 1031 HB3 GLN 64 HB3 GLN 64 13.589 28.982 28.005 1032 HG2 GLN 64 HG2 GLN 64 12.374 26.197 28.305 1033 HG3 GLN 64 HG3 GLN 64 13.317 27.000 29.555 1034 HE21 GLN 64 HE21 GLN 64 10.156 26.430 28.665 1035 HE22 GLN 64 HE22 GLN 64 9.430 27.851 29.432 1036 H ASN 65 H ASN 65 13.402 27.898 23.910 1037 HA ASN 65 HA ASN 65 14.579 30.611 23.642 1038 HB2 ASN 65 HB2 ASN 65 14.715 28.134 21.880 1039 HB3 ASN 65 HB3 ASN 65 15.413 29.679 21.415 1040 HD21 ASN 65 HD21 ASN 65 16.013 26.820 23.197 1041 HD22 ASN 65 HD22 ASN 65 17.511 27.388 23.940 1042 H ARG 66 H ARG 66 11.571 30.055 23.626 1043 HA ARG 66 HA ARG 66 10.513 30.688 21.020 1044 HB2 ARG 66 HB2 ARG 66 9.265 30.979 23.782 1045 HB3 ARG 66 HB3 ARG 66 8.387 31.074 22.246 1046 HG2 ARG 66 HG2 ARG 66 8.906 28.739 21.725 1047 HG3 ARG 66 HG3 ARG 66 9.969 28.626 23.128 1048 HD2 ARG 66 HD2 ARG 66 7.965 29.184 24.578 1049 HD3 ARG 66 HD3 ARG 66 6.955 28.971 23.152 1050 HE ARG 66 HE ARG 66 8.533 26.888 24.601 1051 HH11 ARG 66 HH11 ARG 66 6.420 27.459 21.837 1052 HH12 ARG 66 HH12 ARG 66 5.795 25.832 21.921 1053 HH21 ARG 66 HH21 ARG 66 7.745 24.860 24.563 1054 HH22 ARG 66 HH22 ARG 66 6.670 24.355 23.257 Start of MODEL 13 1 H1 GLY -3 H1 GLY -3 16.521 10.692 -11.416 2 H2 GLY -3 H2 GLY -3 16.255 12.121 -10.663 3 H3 GLY -3 H3 GLY -3 15.112 11.495 -11.653 4 HA2 GLY -3 HA2 GLY -3 14.462 11.199 -9.362 5 HA3 GLY -3 HA3 GLY -3 14.734 9.645 -10.173 6 HA PRO -2 HA PRO -2 17.498 10.228 -6.305 7 HB2 PRO -2 HB2 PRO -2 16.180 8.680 -4.467 8 HB3 PRO -2 HB3 PRO -2 15.816 10.406 -4.743 9 HG2 PRO -2 HG2 PRO -2 14.395 7.986 -5.918 10 HG3 PRO -2 HG3 PRO -2 13.659 9.399 -5.096 11 HD2 PRO -2 HD2 PRO -2 13.824 9.251 -7.810 12 HD3 PRO -2 HD3 PRO -2 14.048 10.810 -6.947 13 H GLY -1 H GLY -1 18.879 8.582 -5.408 14 HA2 GLY -1 HA2 GLY -1 19.418 6.309 -7.137 15 HA3 GLY -1 HA3 GLY -1 20.291 6.774 -5.668 16 H SER 0 H SER 0 17.126 5.432 -6.627 17 HA SER 0 HA SER 0 15.766 3.820 -5.858 18 HB2 SER 0 HB2 SER 0 18.226 2.539 -4.648 19 HB3 SER 0 HB3 SER 0 16.662 1.765 -4.915 20 HG SER 0 HG SER 0 18.439 2.806 -6.880 21 H MET 1 H MET 1 17.272 5.708 -3.480 22 HA MET 1 HA MET 1 15.748 4.753 -1.185 23 HB2 MET 1 HB2 MET 1 16.616 6.656 -0.045 24 HB3 MET 1 HB3 MET 1 17.926 5.912 -0.960 25 HG2 MET 1 HG2 MET 1 17.706 7.655 -2.703 26 HG3 MET 1 HG3 MET 1 16.376 8.408 -1.822 27 HE1 MET 1 HE1 MET 1 18.096 10.036 1.260 28 HE2 MET 1 HE2 MET 1 16.585 9.754 0.358 29 HE3 MET 1 HE3 MET 1 17.346 8.427 1.260 30 H CYS 2 H CYS 2 14.264 6.343 -0.006 31 HA CYS 2 HA CYS 2 12.646 8.061 -1.785 32 HB2 CYS 2 HB2 CYS 2 10.557 6.980 -1.123 33 HB3 CYS 2 HB3 CYS 2 11.647 5.853 -1.966 34 HG CYS 2 HG CYS 2 11.083 6.167 1.306 35 H MET 3 H MET 3 11.318 9.563 -0.728 36 HA MET 3 HA MET 3 12.503 10.501 1.809 37 HB2 MET 3 HB2 MET 3 11.143 11.795 -0.555 38 HB3 MET 3 HB3 MET 3 11.081 12.613 0.990 39 HG2 MET 3 HG2 MET 3 12.986 13.402 -0.280 40 HG3 MET 3 HG3 MET 3 13.485 12.615 1.215 41 HE1 MET 3 HE1 MET 3 14.238 11.020 -3.075 42 HE2 MET 3 HE2 MET 3 12.601 11.334 -2.465 43 HE3 MET 3 HE3 MET 3 13.751 12.683 -2.666 44 H ALA 4 H ALA 4 11.261 11.592 3.387 45 HA ALA 4 HA ALA 4 8.929 10.173 4.334 46 HB1 ALA 4 HB1 ALA 4 10.290 12.738 5.282 47 HB2 ALA 4 HB2 ALA 4 9.163 11.760 6.225 48 HB3 ALA 4 HB3 ALA 4 10.730 11.074 5.782 49 H LYS 5 H LYS 5 7.186 11.788 5.355 50 HA LYS 5 HA LYS 5 6.434 14.026 3.545 51 HB2 LYS 5 HB2 LYS 5 4.141 13.435 3.417 52 HB3 LYS 5 HB3 LYS 5 5.081 12.035 2.909 53 HG2 LYS 5 HG2 LYS 5 4.770 11.121 5.300 54 HG3 LYS 5 HG3 LYS 5 3.657 12.459 5.573 55 HD2 LYS 5 HD2 LYS 5 2.264 10.662 5.032 56 HD3 LYS 5 HD3 LYS 5 2.331 11.616 3.547 57 HE2 LYS 5 HE2 LYS 5 4.127 10.059 2.694 58 HE3 LYS 5 HE3 LYS 5 3.988 9.122 4.185 59 HZ1 LYS 5 HZ1 LYS 5 1.811 9.507 2.191 60 HZ2 LYS 5 HZ2 LYS 5 2.658 8.128 2.422 61 HZ3 LYS 5 HZ3 LYS 5 1.654 8.666 3.585 62 H VAL 6 H VAL 6 5.543 15.765 4.489 63 HA VAL 6 HA VAL 6 5.457 15.905 7.478 64 HB VAL 6 HB VAL 6 6.025 17.922 5.312 65 HG11 VAL 6 HG11 VAL 6 5.927 19.757 6.973 66 HG12 VAL 6 HG12 VAL 6 4.327 19.118 6.580 67 HG13 VAL 6 HG13 VAL 6 5.104 18.669 8.108 68 HG21 VAL 6 HG21 VAL 6 7.318 17.467 8.012 69 HG22 VAL 6 HG22 VAL 6 7.857 16.702 6.498 70 HG23 VAL 6 HG23 VAL 6 7.926 18.452 6.672 71 H VAL 7 H VAL 7 3.638 16.501 8.538 72 HA VAL 7 HA VAL 7 1.282 17.454 7.018 73 HB VAL 7 HB VAL 7 0.924 15.077 7.144 74 HG11 VAL 7 HG11 VAL 7 0.661 13.843 9.228 75 HG12 VAL 7 HG12 VAL 7 2.292 14.497 9.126 76 HG13 VAL 7 HG13 VAL 7 1.096 15.277 10.181 77 HG21 VAL 7 HG21 VAL 7 -1.043 16.630 7.453 78 HG22 VAL 7 HG22 VAL 7 -1.263 15.018 8.134 79 HG23 VAL 7 HG23 VAL 7 -0.903 16.378 9.204 80 H LEU 8 H LEU 8 0.007 18.902 8.043 81 HA LEU 8 HA LEU 8 0.460 19.541 10.904 82 HB2 LEU 8 HB2 LEU 8 0.927 21.869 10.462 83 HB3 LEU 8 HB3 LEU 8 2.067 20.868 9.590 84 HG LEU 8 HG LEU 8 0.323 21.200 7.583 85 HD11 LEU 8 HD11 LEU 8 -0.413 23.606 7.553 86 HD12 LEU 8 HD12 LEU 8 -1.289 22.651 8.752 87 HD13 LEU 8 HD13 LEU 8 0.024 23.732 9.261 88 HD21 LEU 8 HD21 LEU 8 1.747 23.029 6.793 89 HD22 LEU 8 HD22 LEU 8 2.403 23.236 8.428 90 HD23 LEU 8 HD23 LEU 8 2.699 21.741 7.525 91 H THR 9 H THR 9 -1.061 21.033 11.778 92 HA THR 9 HA THR 9 -3.603 21.408 10.258 93 HB THR 9 HB THR 9 -3.460 21.087 13.273 94 HG1 THR 9 HG1 THR 9 -3.050 19.122 12.262 95 HG21 THR 9 HG21 THR 9 -5.928 20.811 13.014 96 HG22 THR 9 HG22 THR 9 -5.382 22.415 12.506 97 HG23 THR 9 HG23 THR 9 -5.773 21.183 11.288 98 H LYS 10 H LYS 10 -4.083 23.471 9.922 99 HA LYS 10 HA LYS 10 -2.392 25.630 10.937 100 HB2 LYS 10 HB2 LYS 10 -4.919 25.618 9.226 101 HB3 LYS 10 HB3 LYS 10 -3.914 27.039 9.525 102 HG2 LYS 10 HG2 LYS 10 -1.962 25.905 8.501 103 HG3 LYS 10 HG3 LYS 10 -2.980 24.503 8.102 104 HD2 LYS 10 HD2 LYS 10 -3.435 27.346 7.093 105 HD3 LYS 10 HD3 LYS 10 -2.617 26.064 6.189 106 HE2 LYS 10 HE2 LYS 10 -4.686 24.667 6.294 107 HE3 LYS 10 HE3 LYS 10 -5.511 25.957 7.173 108 HZ1 LYS 10 HZ1 LYS 10 -4.437 26.210 4.411 109 HZ2 LYS 10 HZ2 LYS 10 -6.017 26.041 4.801 110 HZ3 LYS 10 HZ3 LYS 10 -5.207 27.392 5.228 111 H ALA 11 H ALA 11 -3.331 27.644 11.857 112 HA ALA 11 HA ALA 11 -4.804 27.237 14.255 113 HB1 ALA 11 HB1 ALA 11 -3.216 29.090 13.891 114 HB2 ALA 11 HB2 ALA 11 -4.285 29.778 12.644 115 HB3 ALA 11 HB3 ALA 11 -4.809 29.706 14.347 116 H ASP 12 H ASP 12 -5.922 27.884 10.994 117 HA ASP 12 HA ASP 12 -8.694 28.502 11.700 118 HB2 ASP 12 HB2 ASP 12 -7.398 27.714 9.064 119 HB3 ASP 12 HB3 ASP 12 -9.060 28.278 9.247 120 H GLY 13 H GLY 13 -7.027 25.596 11.899 121 HA2 GLY 13 HA2 GLY 13 -7.832 23.530 12.516 122 HA3 GLY 13 HA3 GLY 13 -9.471 23.996 12.053 123 H GLY 14 H GLY 14 -7.706 24.745 9.376 124 HA2 GLY 14 HA2 GLY 14 -8.389 22.291 7.899 125 HA3 GLY 14 HA3 GLY 14 -7.690 23.761 7.232 126 H ARG 15 H ARG 15 -6.900 20.862 6.944 127 HA ARG 15 HA ARG 15 -4.158 20.889 8.123 128 HB2 ARG 15 HB2 ARG 15 -5.709 18.562 6.930 129 HB3 ARG 15 HB3 ARG 15 -4.071 18.502 7.600 130 HG2 ARG 15 HG2 ARG 15 -5.090 19.470 9.755 131 HG3 ARG 15 HG3 ARG 15 -6.665 19.037 9.085 132 HD2 ARG 15 HD2 ARG 15 -4.333 17.152 9.619 133 HD3 ARG 15 HD3 ARG 15 -5.794 17.323 10.617 134 HE ARG 15 HE ARG 15 -6.517 16.690 7.907 135 HH11 ARG 15 HH11 ARG 15 -5.191 15.108 10.724 136 HH12 ARG 15 HH12 ARG 15 -5.804 13.549 10.258 137 HH21 ARG 15 HH21 ARG 15 -7.305 14.671 7.375 138 HH22 ARG 15 HH22 ARG 15 -6.971 13.310 8.416 139 H VAL 16 H VAL 16 -2.355 20.269 6.957 140 HA VAL 16 HA VAL 16 -2.443 20.478 3.983 141 HB VAL 16 HB VAL 16 -0.478 22.050 5.692 142 HG11 VAL 16 HG11 VAL 16 0.605 21.326 3.638 143 HG12 VAL 16 HG12 VAL 16 -0.767 21.923 2.669 144 HG13 VAL 16 HG13 VAL 16 0.265 23.050 3.566 145 HG21 VAL 16 HG21 VAL 16 -2.653 23.183 5.713 146 HG22 VAL 16 HG22 VAL 16 -1.536 24.064 4.676 147 HG23 VAL 16 HG23 VAL 16 -2.781 23.037 3.950 148 H GLU 17 H GLU 17 -0.959 19.216 2.938 149 HA GLU 17 HA GLU 17 0.946 17.563 4.535 150 HB2 GLU 17 HB2 GLU 17 -0.939 16.613 2.354 151 HB3 GLU 17 HB3 GLU 17 0.406 15.661 3.015 152 HG2 GLU 17 HG2 GLU 17 -0.606 15.758 5.257 153 HG3 GLU 17 HG3 GLU 17 -1.980 16.669 4.620 154 H ILE 18 H ILE 18 2.913 17.275 3.689 155 HA ILE 18 HA ILE 18 3.539 18.189 0.905 156 HB ILE 18 HB ILE 18 4.968 18.941 3.475 157 HG12 ILE 18 HG12 ILE 18 3.970 20.855 1.337 158 HG13 ILE 18 HG13 ILE 18 2.907 20.314 2.621 159 HG21 ILE 18 HG21 ILE 18 6.609 20.155 2.004 160 HG22 ILE 18 HG22 ILE 18 6.682 18.411 1.786 161 HG23 ILE 18 HG23 ILE 18 5.841 19.414 0.585 162 HD11 ILE 18 HD11 ILE 18 4.397 21.156 4.349 163 HD12 ILE 18 HD12 ILE 18 5.521 21.763 3.107 164 HD13 ILE 18 HD13 ILE 18 3.880 22.430 3.233 165 H GLY 19 H GLY 19 3.922 16.252 0.003 166 HA2 GLY 19 HA2 GLY 19 5.622 14.181 1.253 167 HA3 GLY 19 HA3 GLY 19 4.909 14.141 -0.358 168 H ASP 20 H ASP 20 7.397 13.312 -0.307 169 HA ASP 20 HA ASP 20 9.448 13.547 -1.255 170 HB2 ASP 20 HB2 ASP 20 8.119 15.781 -2.816 171 HB3 ASP 20 HB3 ASP 20 9.543 14.874 -3.290 172 H VAL 21 H VAL 21 9.134 14.954 1.204 173 HA VAL 21 HA VAL 21 10.624 17.443 1.085 174 HB VAL 21 HB VAL 21 8.837 17.239 2.629 175 HG11 VAL 21 HG11 VAL 21 8.824 14.872 3.182 176 HG12 VAL 21 HG12 VAL 21 10.371 15.015 4.045 177 HG13 VAL 21 HG13 VAL 21 8.922 15.830 4.645 178 HG21 VAL 21 HG21 VAL 21 11.424 17.358 4.226 179 HG22 VAL 21 HG22 VAL 21 10.737 18.690 3.264 180 HG23 VAL 21 HG23 VAL 21 9.838 18.041 4.637 181 H LEU 22 H LEU 22 12.680 17.862 1.468 182 HA LEU 22 HA LEU 22 14.590 15.638 2.041 183 HB2 LEU 22 HB2 LEU 22 15.007 18.441 0.912 184 HB3 LEU 22 HB3 LEU 22 16.291 17.292 1.263 185 HG LEU 22 HG LEU 22 14.107 16.913 -0.826 186 HD11 LEU 22 HD11 LEU 22 15.789 18.593 -1.466 187 HD12 LEU 22 HD12 LEU 22 17.101 17.466 -1.034 188 HD13 LEU 22 HD13 LEU 22 16.037 17.104 -2.399 189 HD21 LEU 22 HD21 LEU 22 16.515 15.155 -0.162 190 HD22 LEU 22 HD22 LEU 22 14.809 14.718 0.065 191 HD23 LEU 22 HD23 LEU 22 15.438 14.961 -1.558 192 H GLU 23 H GLU 23 13.414 18.759 3.368 193 HA GLU 23 HA GLU 23 14.783 18.155 5.893 194 HB2 GLU 23 HB2 GLU 23 16.549 19.206 4.531 195 HB3 GLU 23 HB3 GLU 23 15.544 20.630 4.288 196 HG2 GLU 23 HG2 GLU 23 15.674 21.287 6.558 197 HG3 GLU 23 HG3 GLU 23 16.217 19.689 7.088 198 H VAL 24 H VAL 24 14.014 19.229 7.657 199 HA VAL 24 HA VAL 24 11.809 21.199 7.342 200 HB VAL 24 HB VAL 24 11.639 18.998 9.399 201 HG11 VAL 24 HG11 VAL 24 9.485 20.658 8.024 202 HG12 VAL 24 HG12 VAL 24 9.249 19.509 9.357 203 HG13 VAL 24 HG13 VAL 24 10.160 21.000 9.626 204 HG21 VAL 24 HG21 VAL 24 10.044 17.768 7.955 205 HG22 VAL 24 HG22 VAL 24 10.543 18.794 6.594 206 HG23 VAL 24 HG23 VAL 24 11.700 17.700 7.370 207 H ARG 25 H ARG 25 11.801 22.804 8.930 208 HA ARG 25 HA ARG 25 13.622 22.537 11.301 209 HB2 ARG 25 HB2 ARG 25 13.616 24.902 9.381 210 HB3 ARG 25 HB3 ARG 25 14.462 24.824 10.933 211 HG2 ARG 25 HG2 ARG 25 15.835 22.917 10.058 212 HG3 ARG 25 HG3 ARG 25 15.051 23.122 8.473 213 HD2 ARG 25 HD2 ARG 25 15.813 25.516 8.481 214 HD3 ARG 25 HD3 ARG 25 16.701 25.195 9.977 215 HE ARG 25 HE ARG 25 17.418 23.320 7.868 216 HH11 ARG 25 HH11 ARG 25 18.130 26.602 8.907 217 HH12 ARG 25 HH12 ARG 25 19.659 26.608 8.065 218 HH21 ARG 25 HH21 ARG 25 19.240 23.379 6.865 219 HH22 ARG 25 HH22 ARG 25 20.283 24.798 6.869 220 H ALA 26 H ALA 26 12.855 23.383 13.125 221 HA ALA 26 HA ALA 26 10.520 25.259 13.093 222 HB1 ALA 26 HB1 ALA 26 11.698 23.588 15.351 223 HB2 ALA 26 HB2 ALA 26 10.325 24.705 15.482 224 HB3 ALA 26 HB3 ALA 26 10.192 23.243 14.476 225 H GLU 27 H GLU 27 11.181 27.347 13.075 226 HA GLU 27 HA GLU 27 13.499 28.280 14.656 227 HB2 GLU 27 HB2 GLU 27 14.497 27.273 12.646 228 HB3 GLU 27 HB3 GLU 27 13.466 28.267 11.608 229 HG2 GLU 27 HG2 GLU 27 14.547 30.308 12.433 230 HG3 GLU 27 HG3 GLU 27 15.521 29.354 13.567 231 H GLY 28 H GLY 28 13.266 30.395 15.271 232 HA2 GLY 28 HA2 GLY 28 12.506 32.563 15.375 233 HA3 GLY 28 HA3 GLY 28 12.280 32.463 13.621 234 H GLY 29 H GLY 29 10.424 30.399 15.827 235 HA2 GLY 29 HA2 GLY 29 8.217 30.477 16.541 236 HA3 GLY 29 HA3 GLY 29 8.031 32.097 15.870 237 H ALA 30 H ALA 30 9.243 29.712 13.641 238 HA ALA 30 HA ALA 30 6.549 28.955 12.649 239 HB1 ALA 30 HB1 ALA 30 7.143 29.665 10.362 240 HB2 ALA 30 HB2 ALA 30 7.199 31.056 11.463 241 HB3 ALA 30 HB3 ALA 30 8.708 30.276 10.949 242 H VAL 31 H VAL 31 6.558 27.117 11.240 243 HA VAL 31 HA VAL 31 9.120 25.572 11.194 244 HB VAL 31 HB VAL 31 6.320 24.498 10.807 245 HG11 VAL 31 HG11 VAL 31 9.053 23.158 10.499 246 HG12 VAL 31 HG12 VAL 31 7.555 22.268 10.747 247 HG13 VAL 31 HG13 VAL 31 7.753 23.253 9.287 248 HG21 VAL 31 HG21 VAL 31 7.139 24.918 13.163 249 HG22 VAL 31 HG22 VAL 31 6.824 23.205 12.819 250 HG23 VAL 31 HG23 VAL 31 8.492 23.844 12.845 251 H ARG 32 H ARG 32 10.091 25.060 9.350 252 HA ARG 32 HA ARG 32 8.877 25.899 6.754 253 HB2 ARG 32 HB2 ARG 32 11.758 26.252 7.661 254 HB3 ARG 32 HB3 ARG 32 11.191 26.504 6.002 255 HG2 ARG 32 HG2 ARG 32 9.695 28.306 6.730 256 HG3 ARG 32 HG3 ARG 32 10.131 28.013 8.419 257 HD2 ARG 32 HD2 ARG 32 12.562 28.530 7.752 258 HD3 ARG 32 HD3 ARG 32 11.914 29.080 6.208 259 HE ARG 32 HE ARG 32 11.178 31.023 7.223 260 HH11 ARG 32 HH11 ARG 32 11.760 28.708 9.783 261 HH12 ARG 32 HH12 ARG 32 11.393 29.849 11.049 262 HH21 ARG 32 HH21 ARG 32 10.830 32.479 8.904 263 HH22 ARG 32 HH22 ARG 32 10.988 31.939 10.556 264 H VAL 33 H VAL 33 9.433 24.749 4.953 265 HA VAL 33 HA VAL 33 10.527 21.993 5.366 266 HB VAL 33 HB VAL 33 8.070 22.317 3.688 267 HG11 VAL 33 HG11 VAL 33 7.654 20.020 4.431 268 HG12 VAL 33 HG12 VAL 33 9.187 20.248 3.596 269 HG13 VAL 33 HG13 VAL 33 9.161 20.099 5.380 270 HG21 VAL 33 HG21 VAL 33 6.587 21.747 5.590 271 HG22 VAL 33 HG22 VAL 33 7.930 22.002 6.711 272 HG23 VAL 33 HG23 VAL 33 7.274 23.361 5.774 273 H THR 34 H THR 34 11.741 21.257 3.675 274 HA THR 34 HA THR 34 11.734 22.822 1.102 275 HB THR 34 HB THR 34 14.137 21.560 2.476 276 HG1 THR 34 HG1 THR 34 13.460 23.457 3.488 277 HG21 THR 34 HG21 THR 34 13.900 23.228 -0.063 278 HG22 THR 34 HG22 THR 34 15.426 22.797 0.746 279 HG23 THR 34 HG23 THR 34 14.413 21.530 0.034 280 H THR 35 H THR 35 11.307 21.693 -0.683 281 HA THR 35 HA THR 35 11.189 18.714 -0.532 282 HB THR 35 HB THR 35 9.763 18.804 -2.456 283 HG1 THR 35 HG1 THR 35 10.083 21.613 -2.384 284 HG21 THR 35 HG21 THR 35 8.842 20.954 -0.505 285 HG22 THR 35 HG22 THR 35 7.833 19.994 -1.610 286 HG23 THR 35 HG23 THR 35 8.674 19.197 -0.275 287 H LEU 36 H LEU 36 11.752 17.441 -2.450 288 HA LEU 36 HA LEU 36 14.363 18.032 -3.490 289 HB2 LEU 36 HB2 LEU 36 14.187 15.976 -4.681 290 HB3 LEU 36 HB3 LEU 36 13.475 15.792 -3.096 291 HG LEU 36 HG LEU 36 11.169 16.170 -4.294 292 HD11 LEU 36 HD11 LEU 36 11.111 15.243 -6.602 293 HD12 LEU 36 HD12 LEU 36 11.944 16.781 -6.561 294 HD13 LEU 36 HD13 LEU 36 12.897 15.292 -6.657 295 HD21 LEU 36 HD21 LEU 36 12.836 13.651 -4.727 296 HD22 LEU 36 HD22 LEU 36 11.894 14.066 -3.271 297 HD23 LEU 36 HD23 LEU 36 11.061 13.736 -4.797 298 H PHE 37 H PHE 37 11.349 19.229 -4.553 299 HA PHE 37 HA PHE 37 12.145 19.772 -7.315 300 HB2 PHE 37 HB2 PHE 37 9.888 20.979 -5.691 301 HB3 PHE 37 HB3 PHE 37 10.042 20.959 -7.437 302 HD1 PHE 37 HD1 PHE 37 8.581 19.318 -4.640 303 HD2 PHE 37 HD2 PHE 37 10.193 18.564 -8.569 304 HE1 PHE 37 HE1 PHE 37 7.365 17.156 -4.731 305 HE2 PHE 37 HE2 PHE 37 8.957 16.411 -8.658 306 HZ PHE 37 HZ PHE 37 7.535 15.706 -6.742 307 H ASP 38 H ASP 38 13.337 20.991 -4.514 308 HA ASP 38 HA ASP 38 14.285 22.820 -3.713 309 HB2 ASP 38 HB2 ASP 38 14.381 23.997 -6.506 310 HB3 ASP 38 HB3 ASP 38 15.326 24.500 -5.117 311 H GLU 39 H GLU 39 11.248 22.696 -4.366 312 HA GLU 39 HA GLU 39 10.478 25.495 -3.944 313 HB2 GLU 39 HB2 GLU 39 9.024 24.082 -5.312 314 HB3 GLU 39 HB3 GLU 39 8.879 22.918 -4.010 315 HG2 GLU 39 HG2 GLU 39 6.858 24.132 -4.105 316 HG3 GLU 39 HG3 GLU 39 7.678 24.632 -2.638 317 H GLU 40 H GLU 40 9.733 26.346 -2.045 318 HA GLU 40 HA GLU 40 10.233 24.814 0.467 319 HB2 GLU 40 HB2 GLU 40 10.920 27.705 -0.137 320 HB3 GLU 40 HB3 GLU 40 11.008 26.952 1.467 321 HG2 GLU 40 HG2 GLU 40 12.712 25.372 0.689 322 HG3 GLU 40 HG3 GLU 40 12.587 26.003 -0.951 323 H HIS 41 H HIS 41 8.997 25.257 2.226 324 HA HIS 41 HA HIS 41 6.515 26.894 1.898 325 HB2 HIS 41 HB2 HIS 41 6.639 24.164 3.213 326 HB3 HIS 41 HB3 HIS 41 5.213 25.139 2.892 327 HD2 HIS 41 HD2 HIS 41 7.594 22.647 1.243 328 HE1 HIS 41 HE1 HIS 41 4.723 23.651 -1.749 329 HE2 HIS 41 HE2 HIS 41 6.649 22.095 -1.153 330 H ALA 42 H ALA 42 5.609 27.717 3.866 331 HA ALA 42 HA ALA 42 7.223 27.516 6.328 332 HB1 ALA 42 HB1 ALA 42 8.290 29.314 5.004 333 HB2 ALA 42 HB2 ALA 42 6.723 30.156 4.887 334 HB3 ALA 42 HB3 ALA 42 7.513 29.952 6.465 335 H PHE 43 H PHE 43 6.099 27.769 8.139 336 HA PHE 43 HA PHE 43 3.231 28.615 8.084 337 HB2 PHE 43 HB2 PHE 43 4.343 26.007 9.142 338 HB3 PHE 43 HB3 PHE 43 2.663 26.539 9.260 339 HD1 PHE 43 HD1 PHE 43 5.178 24.914 7.214 340 HD2 PHE 43 HD2 PHE 43 1.318 26.826 7.120 341 HE1 PHE 43 HE1 PHE 43 4.722 23.883 5.001 342 HE2 PHE 43 HE2 PHE 43 0.861 25.811 4.894 343 HZ PHE 43 HZ PHE 43 2.568 24.341 3.828 344 HA PRO 44 HA PRO 44 5.068 30.548 11.826 345 HB2 PRO 44 HB2 PRO 44 2.547 32.155 11.441 346 HB3 PRO 44 HB3 PRO 44 4.181 32.710 11.921 347 HG2 PRO 44 HG2 PRO 44 3.328 33.066 9.378 348 HG3 PRO 44 HG3 PRO 44 4.988 32.453 9.672 349 HD2 PRO 44 HD2 PRO 44 2.485 30.861 9.008 350 HD3 PRO 44 HD3 PRO 44 4.104 30.768 8.256 351 H GLY 45 H GLY 45 4.565 30.388 13.976 352 HA2 GLY 45 HA2 GLY 45 3.365 29.976 15.911 353 HA3 GLY 45 HA3 GLY 45 1.904 29.712 14.962 354 H LEU 46 H LEU 46 4.309 27.733 13.689 355 HA LEU 46 HA LEU 46 3.354 25.373 15.240 356 HB2 LEU 46 HB2 LEU 46 4.716 25.490 12.536 357 HB3 LEU 46 HB3 LEU 46 4.138 24.034 13.349 358 HG LEU 46 HG LEU 46 2.457 26.286 12.190 359 HD11 LEU 46 HD11 LEU 46 2.563 23.308 11.562 360 HD12 LEU 46 HD12 LEU 46 1.693 24.577 10.668 361 HD13 LEU 46 HD13 LEU 46 3.467 24.540 10.660 362 HD21 LEU 46 HD21 LEU 46 1.288 25.504 14.219 363 HD22 LEU 46 HD22 LEU 46 0.484 24.862 12.782 364 HD23 LEU 46 HD23 LEU 46 1.550 23.810 13.738 365 H ALA 47 H ALA 47 4.756 23.671 15.674 366 HA ALA 47 HA ALA 47 7.666 23.994 15.445 367 HB1 ALA 47 HB1 ALA 47 7.216 24.669 17.770 368 HB2 ALA 47 HB2 ALA 47 6.274 23.180 18.034 369 HB3 ALA 47 HB3 ALA 47 8.020 23.085 17.729 370 H ILE 48 H ILE 48 8.738 21.802 15.512 371 HA ILE 48 HA ILE 48 7.094 19.807 14.128 372 HB ILE 48 HB ILE 48 9.976 19.676 15.046 373 HG12 ILE 48 HG12 ILE 48 8.845 20.084 12.237 374 HG13 ILE 48 HG13 ILE 48 9.416 21.400 13.251 375 HG21 ILE 48 HG21 ILE 48 9.018 17.402 14.857 376 HG22 ILE 48 HG22 ILE 48 8.388 17.793 13.238 377 HG23 ILE 48 HG23 ILE 48 10.122 17.703 13.522 378 HD11 ILE 48 HD11 ILE 48 11.198 20.911 11.785 379 HD12 ILE 48 HD12 ILE 48 11.687 20.260 13.355 380 HD13 ILE 48 HD13 ILE 48 11.084 19.169 12.074 381 H GLY 49 H GLY 49 5.984 18.189 15.011 382 HA2 GLY 49 HA2 GLY 49 5.910 17.933 17.969 383 HA3 GLY 49 HA3 GLY 49 4.663 17.485 16.809 384 H ARG 50 H ARG 50 6.261 15.883 15.032 385 HA ARG 50 HA ARG 50 7.470 13.750 16.702 386 HB2 ARG 50 HB2 ARG 50 5.279 13.044 14.726 387 HB3 ARG 50 HB3 ARG 50 6.161 11.961 15.807 388 HG2 ARG 50 HG2 ARG 50 5.026 13.111 17.762 389 HG3 ARG 50 HG3 ARG 50 4.034 13.989 16.589 390 HD2 ARG 50 HD2 ARG 50 4.190 10.982 17.018 391 HD3 ARG 50 HD3 ARG 50 2.817 12.025 17.369 392 HE ARG 50 HE ARG 50 2.807 12.485 14.817 393 HH11 ARG 50 HH11 ARG 50 3.928 9.310 15.986 394 HH12 ARG 50 HH12 ARG 50 3.588 8.608 14.422 395 HH21 ARG 50 HH21 ARG 50 2.567 11.506 12.947 396 HH22 ARG 50 HH22 ARG 50 2.793 9.764 12.786 397 H VAL 51 H VAL 51 8.615 12.203 15.587 398 HA VAL 51 HA VAL 51 8.721 12.294 12.624 399 HB VAL 51 HB VAL 51 11.235 11.828 14.275 400 HG11 VAL 51 HG11 VAL 51 12.328 11.971 12.025 401 HG12 VAL 51 HG12 VAL 51 11.198 10.618 12.134 402 HG13 VAL 51 HG13 VAL 51 10.729 12.093 11.275 403 HG21 VAL 51 HG21 VAL 51 12.079 13.938 13.316 404 HG22 VAL 51 HG22 VAL 51 10.450 14.278 12.677 405 HG23 VAL 51 HG23 VAL 51 10.740 14.190 14.437 406 H ASP 52 H ASP 52 7.998 10.385 11.960 407 HA ASP 52 HA ASP 52 8.014 8.065 13.848 408 HB2 ASP 52 HB2 ASP 52 5.937 9.414 13.581 409 HB3 ASP 52 HB3 ASP 52 5.881 8.958 11.883 410 H LEU 53 H LEU 53 9.843 7.098 12.999 411 HA LEU 53 HA LEU 53 10.344 6.745 10.189 412 HB2 LEU 53 HB2 LEU 53 11.634 5.368 12.582 413 HB3 LEU 53 HB3 LEU 53 12.258 5.426 10.957 414 HG LEU 53 HG LEU 53 13.556 6.910 12.194 415 HD11 LEU 53 HD11 LEU 53 12.935 7.789 9.996 416 HD12 LEU 53 HD12 LEU 53 11.531 8.626 10.698 417 HD13 LEU 53 HD13 LEU 53 13.162 9.115 11.158 418 HD21 LEU 53 HD21 LEU 53 12.014 7.256 14.142 419 HD22 LEU 53 HD22 LEU 53 12.860 8.707 13.593 420 HD23 LEU 53 HD23 LEU 53 11.165 8.494 13.187 421 H ARG 54 H ARG 54 8.408 4.957 12.371 422 HA ARG 54 HA ARG 54 8.355 2.337 11.168 423 HB2 ARG 54 HB2 ARG 54 6.232 3.998 12.575 424 HB3 ARG 54 HB3 ARG 54 6.050 2.286 12.218 425 HG2 ARG 54 HG2 ARG 54 7.616 1.610 13.814 426 HG3 ARG 54 HG3 ARG 54 8.439 3.170 13.839 427 HD2 ARG 54 HD2 ARG 54 7.191 2.823 15.899 428 HD3 ARG 54 HD3 ARG 54 6.627 4.240 15.027 429 HE ARG 54 HE ARG 54 5.188 1.628 15.320 430 HH11 ARG 54 HH11 ARG 54 4.983 4.992 14.200 431 HH12 ARG 54 HH12 ARG 54 3.249 4.912 14.143 432 HH21 ARG 54 HH21 ARG 54 2.998 1.639 15.145 433 HH22 ARG 54 HH22 ARG 54 2.160 3.078 14.643 434 H SER 55 H SER 55 7.009 5.404 10.128 435 HA SER 55 HA SER 55 5.771 4.103 7.730 436 HB2 SER 55 HB2 SER 55 3.807 5.539 7.966 437 HB3 SER 55 HB3 SER 55 4.003 4.485 9.377 438 HG SER 55 HG SER 55 4.595 6.174 10.608 439 H GLY 56 H GLY 56 7.812 6.620 8.859 440 HA2 GLY 56 HA2 GLY 56 9.054 8.129 7.626 441 HA3 GLY 56 HA3 GLY 56 8.188 7.679 6.150 442 H VAL 57 H VAL 57 6.633 8.761 9.160 443 HA VAL 57 HA VAL 57 5.587 11.176 7.727 444 HB VAL 57 HB VAL 57 4.376 9.569 9.993 445 HG11 VAL 57 HG11 VAL 57 3.755 11.945 10.302 446 HG12 VAL 57 HG12 VAL 57 3.322 12.077 8.585 447 HG13 VAL 57 HG13 VAL 57 2.376 11.042 9.680 448 HG21 VAL 57 HG21 VAL 57 4.171 8.505 7.758 449 HG22 VAL 57 HG22 VAL 57 2.603 9.090 8.312 450 HG23 VAL 57 HG23 VAL 57 3.512 10.007 7.089 451 H ILE 58 H ILE 58 5.820 13.168 8.518 452 HA ILE 58 HA ILE 58 7.087 13.608 11.194 453 HB ILE 58 HB ILE 58 7.401 15.090 8.573 454 HG12 ILE 58 HG12 ILE 58 9.528 13.857 10.359 455 HG13 ILE 58 HG13 ILE 58 8.813 13.011 8.993 456 HG21 ILE 58 HG21 ILE 58 8.848 16.703 9.795 457 HG22 ILE 58 HG22 ILE 58 7.193 16.770 10.347 458 HG23 ILE 58 HG23 ILE 58 8.405 15.927 11.330 459 HD11 ILE 58 HD11 ILE 58 10.903 13.920 8.280 460 HD12 ILE 58 HD12 ILE 58 9.608 14.810 7.453 461 HD13 ILE 58 HD13 ILE 58 10.480 15.540 8.831 462 H SER 59 H SER 59 5.626 14.383 12.579 463 HA SER 59 HA SER 59 3.179 15.783 11.554 464 HB2 SER 59 HB2 SER 59 3.735 14.665 14.316 465 HB3 SER 59 HB3 SER 59 2.216 15.385 13.766 466 HG SER 59 HG SER 59 1.979 13.704 12.275 467 H LEU 60 H LEU 60 2.848 17.891 11.945 468 HA LEU 60 HA LEU 60 4.671 19.418 13.769 469 HB2 LEU 60 HB2 LEU 60 3.089 20.100 11.303 470 HB3 LEU 60 HB3 LEU 60 3.624 21.356 12.410 471 HG LEU 60 HG LEU 60 5.904 21.044 11.915 472 HD11 LEU 60 HD11 LEU 60 6.241 18.667 11.833 473 HD12 LEU 60 HD12 LEU 60 5.196 18.511 10.407 474 HD13 LEU 60 HD13 LEU 60 6.757 19.346 10.294 475 HD21 LEU 60 HD21 LEU 60 4.315 20.694 9.329 476 HD22 LEU 60 HD22 LEU 60 4.575 22.224 10.188 477 HD23 LEU 60 HD23 LEU 60 5.939 21.365 9.440 478 H ILE 61 H ILE 61 3.804 20.922 15.186 479 HA ILE 61 HA ILE 61 0.912 20.824 15.848 480 HB ILE 61 HB ILE 61 1.477 20.543 18.256 481 HG12 ILE 61 HG12 ILE 61 3.680 19.251 18.702 482 HG13 ILE 61 HG13 ILE 61 4.304 20.017 17.244 483 HG21 ILE 61 HG21 ILE 61 2.368 18.200 16.532 484 HG22 ILE 61 HG22 ILE 61 1.681 18.142 18.169 485 HG23 ILE 61 HG23 ILE 61 0.675 18.687 16.812 486 HD11 ILE 61 HD11 ILE 61 3.249 21.446 19.725 487 HD12 ILE 61 HD12 ILE 61 4.951 21.178 19.335 488 HD13 ILE 61 HD13 ILE 61 3.982 22.248 18.318 489 H GLU 62 H GLU 62 0.261 22.548 17.410 490 HA GLU 62 HA GLU 62 1.418 25.103 16.659 491 HB2 GLU 62 HB2 GLU 62 -1.002 24.723 17.076 492 HB3 GLU 62 HB3 GLU 62 -0.652 24.419 18.785 493 HG2 GLU 62 HG2 GLU 62 0.258 26.716 19.004 494 HG3 GLU 62 HG3 GLU 62 -0.035 26.996 17.279 495 H GLU 63 H GLU 63 2.871 26.356 17.724 496 HA GLU 63 HA GLU 63 4.533 25.064 19.688 497 HB2 GLU 63 HB2 GLU 63 5.995 26.904 19.420 498 HB3 GLU 63 HB3 GLU 63 5.359 26.448 17.850 499 HG2 GLU 63 HG2 GLU 63 4.795 28.548 17.443 500 HG3 GLU 63 HG3 GLU 63 3.594 28.475 18.716 501 H GLN 64 H GLN 64 1.718 26.677 20.229 502 HA GLN 64 HA GLN 64 2.374 27.081 23.103 503 HB2 GLN 64 HB2 GLN 64 0.729 29.014 21.423 504 HB3 GLN 64 HB3 GLN 64 0.875 29.052 23.186 505 HG2 GLN 64 HG2 GLN 64 3.321 29.421 22.977 506 HG3 GLN 64 HG3 GLN 64 3.165 29.382 21.219 507 HE21 GLN 64 HE21 GLN 64 3.790 31.472 20.733 508 HE22 GLN 64 HE22 GLN 64 2.912 32.897 21.316 509 H ASN 65 H ASN 65 0.731 26.673 24.543 510 HA ASN 65 HA ASN 65 -1.703 25.250 23.534 511 HB2 ASN 65 HB2 ASN 65 0.137 24.367 25.798 512 HB3 ASN 65 HB3 ASN 65 -1.382 23.595 25.331 513 HD21 ASN 65 HD21 ASN 65 -0.359 24.131 22.314 514 HD22 ASN 65 HD22 ASN 65 0.653 22.705 22.122 515 H ARG 66 H ARG 66 -1.879 27.868 24.082 516 HA ARG 66 HA ARG 66 -3.420 28.037 26.627 517 HB2 ARG 66 HB2 ARG 66 -2.513 30.217 27.130 518 HB3 ARG 66 HB3 ARG 66 -1.228 29.004 27.052 519 HG2 ARG 66 HG2 ARG 66 -0.631 29.825 24.765 520 HG3 ARG 66 HG3 ARG 66 -1.929 31.030 24.860 521 HD2 ARG 66 HD2 ARG 66 0.136 32.139 25.360 522 HD3 ARG 66 HD3 ARG 66 -0.817 32.047 26.846 523 HE ARG 66 HE ARG 66 0.919 29.789 26.756 524 HH11 ARG 66 HH11 ARG 66 1.266 33.262 27.037 525 HH12 ARG 66 HH12 ARG 66 2.776 33.133 27.911 526 HH21 ARG 66 HH21 ARG 66 2.830 29.698 27.887 527 HH22 ARG 66 HH22 ARG 66 3.620 31.173 28.393 528 H1 GLY -3 H1 GLY -3 26.119 4.497 -6.843 529 H2 GLY -3 H2 GLY -3 27.461 3.745 -6.272 530 H3 GLY -3 H3 GLY -3 26.808 5.003 -5.444 531 HA2 GLY -3 HA2 GLY -3 25.507 2.394 -5.876 532 HA3 GLY -3 HA3 GLY -3 26.292 2.901 -4.369 533 HA PRO -2 HA PRO -2 21.724 4.307 -4.666 534 HB2 PRO -2 HB2 PRO -2 20.448 2.418 -3.138 535 HB3 PRO -2 HB3 PRO -2 20.760 2.208 -4.889 536 HG2 PRO -2 HG2 PRO -2 22.422 1.170 -2.569 537 HG3 PRO -2 HG3 PRO -2 21.816 0.256 -3.987 538 HD2 PRO -2 HD2 PRO -2 24.332 1.244 -3.931 539 HD3 PRO -2 HD3 PRO -2 23.371 1.275 -5.438 540 H GLY -1 H GLY -1 20.492 5.241 -2.974 541 HA2 GLY -1 HA2 GLY -1 22.002 6.137 -0.618 542 HA3 GLY -1 HA3 GLY -1 20.409 6.661 -1.118 543 H SER 0 H SER 0 21.092 6.076 1.543 544 HA SER 0 HA SER 0 20.153 3.415 2.306 545 HB2 SER 0 HB2 SER 0 21.856 4.633 3.598 546 HB3 SER 0 HB3 SER 0 20.659 5.876 4.000 547 HG SER 0 HG SER 0 20.944 4.213 5.623 548 H MET 1 H MET 1 18.342 2.928 3.526 549 HA MET 1 HA MET 1 16.099 4.880 3.701 550 HB2 MET 1 HB2 MET 1 14.494 3.037 3.147 551 HB3 MET 1 HB3 MET 1 15.493 3.584 1.823 552 HG2 MET 1 HG2 MET 1 15.280 1.196 1.727 553 HG3 MET 1 HG3 MET 1 16.943 1.638 2.013 554 HE1 MET 1 HE1 MET 1 13.755 -0.153 3.368 555 HE2 MET 1 HE2 MET 1 14.159 -0.460 5.064 556 HE3 MET 1 HE3 MET 1 13.835 1.194 4.521 557 H CYS 2 H CYS 2 18.250 3.487 5.537 558 HA CYS 2 HA CYS 2 16.788 1.960 7.479 559 HB2 CYS 2 HB2 CYS 2 19.450 3.443 7.729 560 HB3 CYS 2 HB3 CYS 2 18.864 2.178 8.810 561 HG CYS 2 HG CYS 2 19.819 2.082 5.646 562 H MET 3 H MET 3 16.740 2.530 9.815 563 HA MET 3 HA MET 3 15.101 4.800 10.367 564 HB2 MET 3 HB2 MET 3 16.565 2.765 12.077 565 HB3 MET 3 HB3 MET 3 15.793 4.155 12.816 566 HG2 MET 3 HG2 MET 3 14.227 2.341 12.871 567 HG3 MET 3 HG3 MET 3 13.639 3.575 11.768 568 HE1 MET 3 HE1 MET 3 14.733 -0.148 12.220 569 HE2 MET 3 HE2 MET 3 15.192 -0.635 10.577 570 HE3 MET 3 HE3 MET 3 16.183 0.547 11.453 571 H ALA 4 H ALA 4 15.440 6.590 11.648 572 HA ALA 4 HA ALA 4 17.730 8.133 10.910 573 HB1 ALA 4 HB1 ALA 4 15.480 9.024 11.024 574 HB2 ALA 4 HB2 ALA 4 15.372 8.685 12.771 575 HB3 ALA 4 HB3 ALA 4 16.494 9.913 12.161 576 H LYS 5 H LYS 5 18.698 9.665 12.551 577 HA LYS 5 HA LYS 5 19.484 8.391 15.123 578 HB2 LYS 5 HB2 LYS 5 21.803 9.207 14.784 579 HB3 LYS 5 HB3 LYS 5 21.302 7.920 13.683 580 HG2 LYS 5 HG2 LYS 5 20.927 9.612 11.881 581 HG3 LYS 5 HG3 LYS 5 21.507 10.881 12.982 582 HD2 LYS 5 HD2 LYS 5 23.714 9.806 13.086 583 HD3 LYS 5 HD3 LYS 5 23.117 8.447 12.089 584 HE2 LYS 5 HE2 LYS 5 22.612 10.036 10.243 585 HE3 LYS 5 HE3 LYS 5 23.229 11.377 11.217 586 HZ1 LYS 5 HZ1 LYS 5 25.406 10.297 11.217 587 HZ2 LYS 5 HZ2 LYS 5 24.845 9.055 10.311 588 HZ3 LYS 5 HZ3 LYS 5 24.917 10.563 9.688 589 H VAL 6 H VAL 6 19.273 9.609 16.829 590 HA VAL 6 HA VAL 6 18.439 12.448 16.503 591 HB VAL 6 HB VAL 6 18.149 10.633 18.913 592 HG11 VAL 6 HG11 VAL 6 16.855 13.311 18.253 593 HG12 VAL 6 HG12 VAL 6 16.399 12.267 19.617 594 HG13 VAL 6 HG13 VAL 6 18.004 12.984 19.568 595 HG21 VAL 6 HG21 VAL 6 15.784 10.413 18.310 596 HG22 VAL 6 HG22 VAL 6 16.067 11.302 16.814 597 HG23 VAL 6 HG23 VAL 6 16.814 9.707 17.068 598 H VAL 7 H VAL 7 19.412 14.135 17.639 599 HA VAL 7 HA VAL 7 21.638 13.508 19.493 600 HB VAL 7 HB VAL 7 22.707 13.782 17.320 601 HG11 VAL 7 HG11 VAL 7 21.572 16.605 17.240 602 HG12 VAL 7 HG12 VAL 7 22.733 15.907 16.107 603 HG13 VAL 7 HG13 VAL 7 21.084 15.268 16.179 604 HG21 VAL 7 HG21 VAL 7 23.301 16.228 19.034 605 HG22 VAL 7 HG22 VAL 7 23.857 14.581 19.397 606 HG23 VAL 7 HG23 VAL 7 24.382 15.391 17.917 607 H LEU 8 H LEU 8 22.010 14.933 21.102 608 HA LEU 8 HA LEU 8 20.555 17.487 21.286 609 HB2 LEU 8 HB2 LEU 8 19.360 16.884 23.301 610 HB3 LEU 8 HB3 LEU 8 18.948 15.789 22.005 611 HG LEU 8 HG LEU 8 21.011 14.389 23.219 612 HD11 LEU 8 HD11 LEU 8 21.161 15.979 25.102 613 HD12 LEU 8 HD12 LEU 8 19.431 15.747 25.449 614 HD13 LEU 8 HD13 LEU 8 20.561 14.398 25.637 615 HD21 LEU 8 HD21 LEU 8 18.825 13.490 22.515 616 HD22 LEU 8 HD22 LEU 8 19.267 12.976 24.150 617 HD23 LEU 8 HD23 LEU 8 18.062 14.261 23.924 618 H THR 9 H THR 9 21.161 18.782 23.120 619 HA THR 9 HA THR 9 23.873 18.161 24.211 620 HB THR 9 HB THR 9 22.728 20.934 23.790 621 HG1 THR 9 HG1 THR 9 23.056 19.972 21.809 622 HG21 THR 9 HG21 THR 9 25.095 21.618 23.972 623 HG22 THR 9 HG22 THR 9 24.534 20.842 25.455 624 HG23 THR 9 HG23 THR 9 25.567 19.938 24.315 625 H LYS 10 H LYS 10 24.189 18.172 26.315 626 HA LYS 10 HA LYS 10 21.926 18.300 28.206 627 HB2 LYS 10 HB2 LYS 10 24.884 17.712 28.537 628 HB3 LYS 10 HB3 LYS 10 23.676 17.572 29.823 629 HG2 LYS 10 HG2 LYS 10 22.477 15.840 28.478 630 HG3 LYS 10 HG3 LYS 10 23.788 15.881 27.283 631 HD2 LYS 10 HD2 LYS 10 24.178 15.302 30.249 632 HD3 LYS 10 HD3 LYS 10 23.966 14.036 29.039 633 HE2 LYS 10 HE2 LYS 10 26.033 14.467 27.997 634 HE3 LYS 10 HE3 LYS 10 26.139 16.101 28.657 635 HZ1 LYS 10 HZ1 LYS 10 26.326 13.705 30.375 636 HZ2 LYS 10 HZ2 LYS 10 27.627 14.504 29.786 637 HZ3 LYS 10 HZ3 LYS 10 26.608 15.273 30.803 638 H ALA 11 H ALA 11 22.098 19.460 30.245 639 HA ALA 11 HA ALA 11 22.718 22.246 30.015 640 HB1 ALA 11 HB1 ALA 11 22.200 20.498 32.465 641 HB2 ALA 11 HB2 ALA 11 22.123 22.273 32.415 642 HB3 ALA 11 HB3 ALA 11 20.972 21.318 31.469 643 H ASP 12 H ASP 12 24.709 19.517 31.071 644 HA ASP 12 HA ASP 12 26.776 21.183 32.289 645 HB2 ASP 12 HB2 ASP 12 27.958 19.142 32.671 646 HB3 ASP 12 HB3 ASP 12 26.283 18.956 33.137 647 H GLY 13 H GLY 13 25.951 20.819 29.102 648 HA2 GLY 13 HA2 GLY 13 27.019 21.765 27.275 649 HA3 GLY 13 HA3 GLY 13 28.568 21.754 28.125 650 H GLY 14 H GLY 14 27.564 18.655 28.553 651 HA2 GLY 14 HA2 GLY 14 29.061 17.517 26.293 652 HA3 GLY 14 HA3 GLY 14 28.251 16.644 27.584 653 H ARG 15 H ARG 15 28.020 15.600 25.143 654 HA ARG 15 HA ARG 15 25.213 16.177 24.279 655 HB2 ARG 15 HB2 ARG 15 27.650 15.831 22.492 656 HB3 ARG 15 HB3 ARG 15 25.983 15.611 21.918 657 HG2 ARG 15 HG2 ARG 15 25.411 17.877 22.673 658 HG3 ARG 15 HG3 ARG 15 27.084 18.158 23.176 659 HD2 ARG 15 HD2 ARG 15 27.872 18.024 20.914 660 HD3 ARG 15 HD3 ARG 15 26.294 17.453 20.326 661 HE ARG 15 HE ARG 15 25.498 19.733 21.409 662 HH11 ARG 15 HH11 ARG 15 28.308 19.346 19.333 663 HH12 ARG 15 HH12 ARG 15 28.195 20.994 18.761 664 HH21 ARG 15 HH21 ARG 15 25.435 21.762 20.674 665 HH22 ARG 15 HH22 ARG 15 26.620 22.341 19.529 666 H VAL 16 H VAL 16 24.050 14.583 23.313 667 HA VAL 16 HA VAL 16 24.874 11.760 23.834 668 HB VAL 16 HB VAL 16 22.249 13.060 24.625 669 HG11 VAL 16 HG11 VAL 16 21.775 10.799 23.794 670 HG12 VAL 16 HG12 VAL 16 23.060 10.139 24.833 671 HG13 VAL 16 HG13 VAL 16 21.598 10.866 25.542 672 HG21 VAL 16 HG21 VAL 16 24.403 11.755 26.324 673 HG22 VAL 16 HG22 VAL 16 24.013 13.493 26.264 674 HG23 VAL 16 HG23 VAL 16 22.836 12.355 26.916 675 H GLU 17 H GLU 17 24.173 10.295 22.346 676 HA GLU 17 HA GLU 17 22.487 11.213 20.076 677 HB2 GLU 17 HB2 GLU 17 25.108 9.690 19.897 678 HB3 GLU 17 HB3 GLU 17 23.957 9.881 18.563 679 HG2 GLU 17 HG2 GLU 17 24.242 12.321 18.631 680 HG3 GLU 17 HG3 GLU 17 25.345 12.187 20.005 681 H ILE 18 H ILE 18 21.118 9.729 19.192 682 HA ILE 18 HA ILE 18 21.038 6.952 20.314 683 HB ILE 18 HB ILE 18 18.620 8.761 20.069 684 HG12 ILE 18 HG12 ILE 18 19.672 7.695 22.718 685 HG13 ILE 18 HG13 ILE 18 20.208 9.250 22.089 686 HG21 ILE 18 HG21 ILE 18 18.156 6.349 19.650 687 HG22 ILE 18 HG22 ILE 18 18.909 5.930 21.191 688 HG23 ILE 18 HG23 ILE 18 17.413 6.883 21.148 689 HD11 ILE 18 HD11 ILE 18 17.934 10.101 21.952 690 HD12 ILE 18 HD12 ILE 18 17.306 8.579 22.647 691 HD13 ILE 18 HD13 ILE 18 18.374 9.615 23.601 692 H GLY 19 H GLY 19 21.486 5.767 18.552 693 HA2 GLY 19 HA2 GLY 19 20.388 6.401 15.882 694 HA3 GLY 19 HA3 GLY 19 21.449 5.063 16.309 695 H ASP 20 H ASP 20 19.505 4.455 14.653 696 HA ASP 20 HA ASP 20 17.899 2.900 14.234 697 HB2 ASP 20 HB2 ASP 20 18.773 1.761 16.896 698 HB3 ASP 20 HB3 ASP 20 18.007 0.892 15.573 699 H VAL 21 H VAL 21 16.776 5.268 15.438 700 HA VAL 21 HA VAL 21 14.772 4.452 17.356 701 HB VAL 21 HB VAL 21 13.910 6.694 17.218 702 HG11 VAL 21 HG11 VAL 21 16.931 6.548 17.498 703 HG12 VAL 21 HG12 VAL 21 15.887 7.819 18.141 704 HG13 VAL 21 HG13 VAL 21 15.726 6.160 18.745 705 HG21 VAL 21 HG21 VAL 21 14.950 8.463 15.963 706 HG22 VAL 21 HG22 VAL 21 16.104 7.338 15.224 707 HG23 VAL 21 HG23 VAL 21 14.367 7.232 14.841 708 H LEU 22 H LEU 22 12.702 3.975 17.179 709 HA LEU 22 HA LEU 22 11.472 3.558 14.505 710 HB2 LEU 22 HB2 LEU 22 10.500 3.067 17.358 711 HB3 LEU 22 HB3 LEU 22 9.544 2.748 15.914 712 HG LEU 22 HG LEU 22 12.145 1.359 16.650 713 HD11 LEU 22 HD11 LEU 22 10.234 0.707 18.069 714 HD12 LEU 22 HD12 LEU 22 9.241 0.432 16.616 715 HD13 LEU 22 HD13 LEU 22 10.630 -0.610 16.951 716 HD21 LEU 22 HD21 LEU 22 11.559 -0.197 14.778 717 HD22 LEU 22 HD22 LEU 22 10.249 0.908 14.301 718 HD23 LEU 22 HD23 LEU 22 11.946 1.430 14.207 719 H GLU 23 H GLU 23 11.215 5.733 17.306 720 HA GLU 23 HA GLU 23 9.740 7.678 15.739 721 HB2 GLU 23 HB2 GLU 23 7.938 6.071 16.419 722 HB3 GLU 23 HB3 GLU 23 8.327 6.390 18.111 723 HG2 GLU 23 HG2 GLU 23 7.679 8.740 17.850 724 HG3 GLU 23 HG3 GLU 23 7.458 8.522 16.111 725 H VAL 24 H VAL 24 9.722 9.697 16.604 726 HA VAL 24 HA VAL 24 10.787 10.233 19.342 727 HB VAL 24 HB VAL 24 11.411 11.856 16.861 728 HG11 VAL 24 HG11 VAL 24 12.464 12.107 19.706 729 HG12 VAL 24 HG12 VAL 24 13.055 13.018 18.299 730 HG13 VAL 24 HG13 VAL 24 11.400 13.248 18.866 731 HG21 VAL 24 HG21 VAL 24 13.752 11.137 17.081 732 HG22 VAL 24 HG22 VAL 24 13.265 9.936 18.294 733 HG23 VAL 24 HG23 VAL 24 12.677 9.825 16.624 734 H ARG 25 H ARG 25 9.601 11.762 20.455 735 HA ARG 25 HA ARG 25 7.456 13.308 19.041 736 HB2 ARG 25 HB2 ARG 25 7.054 11.743 21.623 737 HB3 ARG 25 HB3 ARG 25 5.877 12.785 20.825 738 HG2 ARG 25 HG2 ARG 25 5.913 11.189 18.848 739 HG3 ARG 25 HG3 ARG 25 6.967 10.128 19.800 740 HD2 ARG 25 HD2 ARG 25 5.231 10.083 21.605 741 HD3 ARG 25 HD3 ARG 25 4.161 11.035 20.564 742 HE ARG 25 HE ARG 25 4.777 8.922 18.942 743 HH11 ARG 25 HH11 ARG 25 3.300 9.027 22.127 744 HH12 ARG 25 HH12 ARG 25 2.665 7.416 21.960 745 HH21 ARG 25 HH21 ARG 25 4.173 6.849 18.905 746 HH22 ARG 25 HH22 ARG 25 3.076 6.230 20.124 747 H ALA 26 H ALA 26 7.278 15.338 19.686 748 HA ALA 26 HA ALA 26 8.600 16.315 22.168 749 HB1 ALA 26 HB1 ALA 26 8.945 17.625 20.107 750 HB2 ALA 26 HB2 ALA 26 7.185 17.823 19.932 751 HB3 ALA 26 HB3 ALA 26 8.038 18.545 21.314 752 H GLU 27 H GLU 27 7.417 17.228 23.826 753 HA GLU 27 HA GLU 27 4.464 17.296 23.750 754 HB2 GLU 27 HB2 GLU 27 4.198 16.037 25.789 755 HB3 GLU 27 HB3 GLU 27 4.989 15.042 24.573 756 HG2 GLU 27 HG2 GLU 27 7.137 15.264 25.675 757 HG3 GLU 27 HG3 GLU 27 6.519 16.505 26.769 758 H GLY 28 H GLY 28 3.883 18.048 26.279 759 HA2 GLY 28 HA2 GLY 28 4.550 20.796 26.358 760 HA3 GLY 28 HA3 GLY 28 3.707 19.889 27.611 761 H GLY 29 H GLY 29 6.861 20.757 26.364 762 HA2 GLY 29 HA2 GLY 29 8.656 21.683 27.555 763 HA3 GLY 29 HA3 GLY 29 7.986 21.109 29.078 764 H ALA 30 H ALA 30 8.352 18.802 26.394 765 HA ALA 30 HA ALA 30 11.044 18.005 27.113 766 HB1 ALA 30 HB1 ALA 30 8.751 16.112 27.853 767 HB2 ALA 30 HB2 ALA 30 10.480 15.749 27.980 768 HB3 ALA 30 HB3 ALA 30 9.757 16.985 29.020 769 H VAL 31 H VAL 31 11.826 16.144 25.921 770 HA VAL 31 HA VAL 31 10.149 15.264 23.592 771 HB VAL 31 HB VAL 31 13.150 15.658 23.611 772 HG11 VAL 31 HG11 VAL 31 12.787 13.605 22.370 773 HG12 VAL 31 HG12 VAL 31 11.407 14.316 21.501 774 HG13 VAL 31 HG13 VAL 31 13.041 14.904 21.210 775 HG21 VAL 31 HG21 VAL 31 12.707 17.197 21.757 776 HG22 VAL 31 HG22 VAL 31 10.966 16.815 21.813 777 HG23 VAL 31 HG23 VAL 31 11.734 17.670 23.153 778 H ARG 32 H ARG 32 10.078 13.130 23.115 779 HA ARG 32 HA ARG 32 11.406 11.124 24.906 780 HB2 ARG 32 HB2 ARG 32 8.480 11.311 24.090 781 HB3 ARG 32 HB3 ARG 32 9.211 9.844 24.768 782 HG2 ARG 32 HG2 ARG 32 9.602 10.858 26.887 783 HG3 ARG 32 HG3 ARG 32 9.385 12.489 26.259 784 HD2 ARG 32 HD2 ARG 32 7.451 11.917 27.553 785 HD3 ARG 32 HD3 ARG 32 7.001 12.057 25.841 786 HE ARG 32 HE ARG 32 7.608 9.318 26.556 787 HH11 ARG 32 HH11 ARG 32 5.044 11.721 26.831 788 HH12 ARG 32 HH12 ARG 32 3.805 10.490 26.972 789 HH21 ARG 32 HH21 ARG 32 5.973 7.829 26.722 790 HH22 ARG 32 HH22 ARG 32 4.321 8.350 26.901 791 H VAL 33 H VAL 33 11.908 9.152 23.917 792 HA VAL 33 HA VAL 33 11.348 8.749 21.056 793 HB VAL 33 HB VAL 33 13.039 10.070 20.506 794 HG11 VAL 33 HG11 VAL 33 14.607 9.488 22.997 795 HG12 VAL 33 HG12 VAL 33 15.150 10.527 21.667 796 HG13 VAL 33 HG13 VAL 33 13.729 10.981 22.605 797 HG21 VAL 33 HG21 VAL 33 14.747 7.644 21.145 798 HG22 VAL 33 HG22 VAL 33 13.754 7.876 19.678 799 HG23 VAL 33 HG23 VAL 33 15.125 8.932 20.002 800 H THR 34 H THR 34 11.767 6.724 20.239 801 HA THR 34 HA THR 34 12.487 4.597 22.237 802 HB THR 34 HB THR 34 10.108 4.462 20.352 803 HG1 THR 34 HG1 THR 34 9.687 5.865 22.045 804 HG21 THR 34 HG21 THR 34 9.509 2.477 21.785 805 HG22 THR 34 HG22 THR 34 10.956 2.230 20.815 806 HG23 THR 34 HG23 THR 34 11.106 2.584 22.554 807 H THR 35 H THR 35 13.750 2.966 21.521 808 HA THR 35 HA THR 35 14.693 2.979 18.717 809 HB THR 35 HB THR 35 16.483 1.600 19.446 810 HG1 THR 35 HG1 THR 35 16.598 0.839 21.531 811 HG21 THR 35 HG21 THR 35 17.582 3.019 21.063 812 HG22 THR 35 HG22 THR 35 16.633 4.034 19.975 813 HG23 THR 35 HG23 THR 35 16.040 3.686 21.616 814 H LEU 36 H LEU 36 15.088 0.991 17.528 815 HA LEU 36 HA LEU 36 12.816 -0.770 17.441 816 HB2 LEU 36 HB2 LEU 36 13.936 -1.866 15.631 817 HB3 LEU 36 HB3 LEU 36 14.130 -0.139 15.496 818 HG LEU 36 HG LEU 36 16.485 -0.479 16.549 819 HD11 LEU 36 HD11 LEU 36 16.364 -2.835 17.261 820 HD12 LEU 36 HD12 LEU 36 15.918 -3.331 15.615 821 HD13 LEU 36 HD13 LEU 36 17.524 -2.676 15.957 822 HD21 LEU 36 HD21 LEU 36 15.773 -1.584 13.786 823 HD22 LEU 36 HD22 LEU 36 16.061 0.121 14.192 824 HD23 LEU 36 HD23 LEU 36 17.390 -1.039 14.279 825 H PHE 37 H PHE 37 15.534 -0.892 19.484 826 HA PHE 37 HA PHE 37 14.998 -3.720 20.242 827 HB2 PHE 37 HB2 PHE 37 17.039 -3.558 21.595 828 HB3 PHE 37 HB3 PHE 37 17.279 -3.384 19.879 829 HD1 PHE 37 HD1 PHE 37 17.500 -1.685 23.133 830 HD2 PHE 37 HD2 PHE 37 18.018 -1.262 18.878 831 HE1 PHE 37 HE1 PHE 37 18.878 0.351 23.504 832 HE2 PHE 37 HE2 PHE 37 19.399 0.783 19.253 833 HZ PHE 37 HZ PHE 37 19.824 1.585 21.561 834 H ASP 38 H ASP 38 13.263 -1.288 20.707 835 HA ASP 38 HA ASP 38 11.721 -0.633 22.137 836 HB2 ASP 38 HB2 ASP 38 12.233 -3.186 23.676 837 HB3 ASP 38 HB3 ASP 38 10.772 -2.206 23.705 838 H GLU 39 H GLU 39 14.578 0.148 22.848 839 HA GLU 39 HA GLU 39 14.335 0.691 25.747 840 HB2 GLU 39 HB2 GLU 39 16.549 0.158 24.667 841 HB3 GLU 39 HB3 GLU 39 16.430 1.689 23.795 842 HG2 GLU 39 HG2 GLU 39 17.849 2.007 25.684 843 HG3 GLU 39 HG3 GLU 39 16.355 2.905 25.957 844 H GLU 40 H GLU 40 13.390 2.442 26.577 845 HA GLU 40 HA GLU 40 12.518 4.674 24.803 846 HB2 GLU 40 HB2 GLU 40 11.620 3.786 27.555 847 HB3 GLU 40 HB3 GLU 40 11.067 5.263 26.758 848 HG2 GLU 40 HG2 GLU 40 10.127 4.011 24.902 849 HG3 GLU 40 HG3 GLU 40 10.725 2.490 25.571 850 H HIS 41 H HIS 41 13.099 6.727 25.138 851 HA HIS 41 HA HIS 41 14.823 7.463 27.481 852 HB2 HIS 41 HB2 HIS 41 15.359 8.401 24.650 853 HB3 HIS 41 HB3 HIS 41 16.336 8.674 26.085 854 HD2 HIS 41 HD2 HIS 41 15.661 6.170 23.297 855 HE1 HIS 41 HE1 HIS 41 18.862 4.534 25.590 856 HE2 HIS 41 HE2 HIS 41 17.512 4.298 23.442 857 H ALA 42 H ALA 42 14.724 9.685 28.086 858 HA ALA 42 HA ALA 42 12.712 11.423 26.807 859 HB1 ALA 42 HB1 ALA 42 11.476 11.734 28.915 860 HB2 ALA 42 HB2 ALA 42 11.374 10.053 28.351 861 HB3 ALA 42 HB3 ALA 42 12.465 10.480 29.694 862 H PHE 43 H PHE 43 13.038 13.542 27.081 863 HA PHE 43 HA PHE 43 15.323 14.527 28.747 864 HB2 PHE 43 HB2 PHE 43 14.918 14.985 25.789 865 HB3 PHE 43 HB3 PHE 43 16.206 15.658 26.784 866 HD1 PHE 43 HD1 PHE 43 17.966 14.139 27.784 867 HD2 PHE 43 HD2 PHE 43 15.066 12.749 24.912 868 HE1 PHE 43 HE1 PHE 43 19.326 12.106 27.394 869 HE2 PHE 43 HE2 PHE 43 16.420 10.711 24.522 870 HZ PHE 43 HZ PHE 43 18.537 10.361 25.807 871 HA PRO 44 HA PRO 44 11.916 17.551 29.276 872 HB2 PRO 44 HB2 PRO 44 13.537 18.104 31.734 873 HB3 PRO 44 HB3 PRO 44 11.758 17.981 31.551 874 HG2 PRO 44 HG2 PRO 44 13.178 15.937 32.644 875 HG3 PRO 44 HG3 PRO 44 11.864 15.588 31.461 876 HD2 PRO 44 HD2 PRO 44 14.855 15.761 30.968 877 HD3 PRO 44 HD3 PRO 44 13.704 14.499 30.453 878 H GLY 45 H GLY 45 11.869 19.735 28.993 879 HA2 GLY 45 HA2 GLY 45 12.579 21.927 28.707 880 HA3 GLY 45 HA3 GLY 45 14.246 21.456 29.039 881 H LEU 46 H LEU 46 13.132 19.364 26.672 882 HA LEU 46 HA LEU 46 14.342 20.980 24.495 883 HB2 LEU 46 HB2 LEU 46 13.894 17.984 24.635 884 HB3 LEU 46 HB3 LEU 46 14.715 18.854 23.347 885 HG LEU 46 HG LEU 46 15.704 18.449 26.197 886 HD11 LEU 46 HD11 LEU 46 16.930 17.715 23.505 887 HD12 LEU 46 HD12 LEU 46 17.479 17.228 25.127 888 HD13 LEU 46 HD13 LEU 46 15.955 16.604 24.479 889 HD21 LEU 46 HD21 LEU 46 17.777 19.624 25.456 890 HD22 LEU 46 HD22 LEU 46 16.949 20.122 23.969 891 HD23 LEU 46 HD23 LEU 46 16.386 20.706 25.563 892 H ALA 47 H ALA 47 13.620 20.709 22.368 893 HA ALA 47 HA ALA 47 11.011 19.555 21.741 894 HB1 ALA 47 HB1 ALA 47 10.336 21.576 20.422 895 HB2 ALA 47 HB2 ALA 47 10.396 21.873 22.174 896 HB3 ALA 47 HB3 ALA 47 11.709 22.464 21.141 897 H ILE 48 H ILE 48 10.816 19.219 19.335 898 HA ILE 48 HA ILE 48 13.388 18.426 18.173 899 HB ILE 48 HB ILE 48 10.592 18.365 17.006 900 HG12 ILE 48 HG12 ILE 48 12.143 15.947 17.993 901 HG13 ILE 48 HG13 ILE 48 11.099 16.849 19.074 902 HG21 ILE 48 HG21 ILE 48 13.201 17.118 16.019 903 HG22 ILE 48 HG22 ILE 48 11.599 16.768 15.335 904 HG23 ILE 48 HG23 ILE 48 12.267 18.382 15.211 905 HD11 ILE 48 HD11 ILE 48 10.201 15.438 16.533 906 HD12 ILE 48 HD12 ILE 48 9.859 14.972 18.207 907 HD13 ILE 48 HD13 ILE 48 9.167 16.468 17.560 908 H GLY 49 H GLY 49 14.703 19.713 17.042 909 HA2 GLY 49 HA2 GLY 49 13.821 22.459 16.345 910 HA3 GLY 49 HA3 GLY 49 15.468 21.863 16.522 911 H ARG 50 H ARG 50 15.497 19.681 14.792 912 HA ARG 50 HA ARG 50 14.712 20.613 12.093 913 HB2 ARG 50 HB2 ARG 50 16.761 21.829 12.412 914 HB3 ARG 50 HB3 ARG 50 17.591 20.410 13.039 915 HG2 ARG 50 HG2 ARG 50 17.552 19.327 10.855 916 HG3 ARG 50 HG3 ARG 50 16.598 20.661 10.169 917 HD2 ARG 50 HD2 ARG 50 18.440 22.217 10.582 918 HD3 ARG 50 HD3 ARG 50 19.387 20.959 11.379 919 HE ARG 50 HE ARG 50 18.878 21.278 8.476 920 HH11 ARG 50 HH11 ARG 50 20.278 19.136 10.903 921 HH12 ARG 50 HH12 ARG 50 21.073 18.174 9.677 922 HH21 ARG 50 HH21 ARG 50 19.789 19.916 7.031 923 HH22 ARG 50 HH22 ARG 50 20.694 18.532 7.578 924 H VAL 51 H VAL 51 14.560 19.056 10.607 925 HA VAL 51 HA VAL 51 15.374 16.265 11.285 926 HB VAL 51 HB VAL 51 12.679 17.024 10.095 927 HG11 VAL 51 HG11 VAL 51 12.172 14.600 10.469 928 HG12 VAL 51 HG12 VAL 51 13.443 14.852 9.270 929 HG13 VAL 51 HG13 VAL 51 13.869 14.337 10.912 930 HG21 VAL 51 HG21 VAL 51 11.695 16.206 12.177 931 HG22 VAL 51 HG22 VAL 51 13.309 15.945 12.882 932 HG23 VAL 51 HG23 VAL 51 12.734 17.577 12.517 933 H ASP 52 H ASP 52 16.513 15.376 9.747 934 HA ASP 52 HA ASP 52 16.709 16.683 7.048 935 HB2 ASP 52 HB2 ASP 52 18.456 17.322 8.592 936 HB3 ASP 52 HB3 ASP 52 18.791 15.637 8.974 937 H LEU 53 H LEU 53 15.823 15.320 5.602 938 HA LEU 53 HA LEU 53 15.907 12.408 5.983 939 HB2 LEU 53 HB2 LEU 53 14.718 14.078 3.743 940 HB3 LEU 53 HB3 LEU 53 14.556 12.349 3.930 941 HG LEU 53 HG LEU 53 12.529 13.196 4.627 942 HD11 LEU 53 HD11 LEU 53 12.294 12.590 6.953 943 HD12 LEU 53 HD12 LEU 53 13.439 11.496 6.169 944 HD13 LEU 53 HD13 LEU 53 14.035 12.796 7.240 945 HD21 LEU 53 HD21 LEU 53 13.787 15.189 6.534 946 HD22 LEU 53 HD22 LEU 53 13.110 15.577 4.930 947 HD23 LEU 53 HD23 LEU 53 12.070 14.938 6.196 948 H ARG 54 H ARG 54 18.037 14.642 4.603 949 HA ARG 54 HA ARG 54 19.089 12.901 2.453 950 HB2 ARG 54 HB2 ARG 54 20.217 15.471 3.638 951 HB3 ARG 54 HB3 ARG 54 20.736 14.685 2.147 952 HG2 ARG 54 HG2 ARG 54 18.587 15.136 1.091 953 HG3 ARG 54 HG3 ARG 54 17.944 15.858 2.576 954 HD2 ARG 54 HD2 ARG 54 20.303 16.933 0.978 955 HD3 ARG 54 HD3 ARG 54 18.658 17.540 0.900 956 HE ARG 54 HE ARG 54 18.818 18.247 3.254 957 HH11 ARG 54 HH11 ARG 54 21.935 17.543 1.811 958 HH12 ARG 54 HH12 ARG 54 22.783 18.541 2.958 959 HH21 ARG 54 HH21 ARG 54 19.935 19.551 4.630 960 HH22 ARG 54 HH22 ARG 54 21.677 19.631 4.523 961 H SER 55 H SER 55 20.073 14.018 5.669 962 HA SER 55 HA SER 55 22.310 12.046 5.757 963 HB2 SER 55 HB2 SER 55 22.607 14.492 6.332 964 HB3 SER 55 HB3 SER 55 21.577 14.214 7.747 965 HG SER 55 HG SER 55 24.123 13.072 7.141 966 H GLY 56 H GLY 56 19.077 12.375 7.028 967 HA2 GLY 56 HA2 GLY 56 17.826 10.843 8.213 968 HA3 GLY 56 HA3 GLY 56 19.258 9.858 8.522 969 H VAL 57 H VAL 57 19.446 13.258 9.283 970 HA VAL 57 HA VAL 57 19.836 12.608 12.135 971 HB VAL 57 HB VAL 57 20.438 15.081 10.500 972 HG11 VAL 57 HG11 VAL 57 21.658 15.905 12.492 973 HG12 VAL 57 HG12 VAL 57 19.916 15.894 12.745 974 HG13 VAL 57 HG13 VAL 57 20.938 14.623 13.481 975 HG21 VAL 57 HG21 VAL 57 22.757 14.470 10.944 976 HG22 VAL 57 HG22 VAL 57 22.239 13.093 11.953 977 HG23 VAL 57 HG23 VAL 57 21.928 13.098 10.195 978 H ILE 58 H ILE 58 18.660 13.249 13.790 979 HA ILE 58 HA ILE 58 16.412 15.212 13.462 980 HB ILE 58 HB ILE 58 16.583 12.741 15.220 981 HG12 ILE 58 HG12 ILE 58 14.496 13.429 13.110 982 HG13 ILE 58 HG13 ILE 58 15.896 12.424 12.789 983 HG21 ILE 58 HG21 ILE 58 14.379 13.360 16.135 984 HG22 ILE 58 HG22 ILE 58 15.564 14.574 16.518 985 HG23 ILE 58 HG23 ILE 58 14.403 14.872 15.200 986 HD11 ILE 58 HD11 ILE 58 14.078 10.947 13.202 987 HD12 ILE 58 HD12 ILE 58 15.169 10.831 14.592 988 HD13 ILE 58 HD13 ILE 58 13.649 11.759 14.704 989 H SER 59 H SER 59 17.237 17.059 14.215 990 HA SER 59 HA SER 59 19.170 17.088 16.490 991 HB2 SER 59 HB2 SER 59 18.197 19.404 14.800 992 HB3 SER 59 HB3 SER 59 19.557 19.399 15.930 993 HG SER 59 HG SER 59 20.657 18.007 14.554 994 H LEU 60 H LEU 60 18.391 17.305 18.505 995 HA LEU 60 HA LEU 60 15.808 18.696 18.985 996 HB2 LEU 60 HB2 LEU 60 17.592 17.323 21.000 997 HB3 LEU 60 HB3 LEU 60 15.941 17.871 21.228 998 HG LEU 60 HG LEU 60 16.867 15.545 19.467 999 HD11 LEU 60 HD11 LEU 60 15.481 14.223 21.059 1000 HD12 LEU 60 HD12 LEU 60 16.804 15.060 21.886 1001 HD13 LEU 60 HD13 LEU 60 15.155 15.706 21.988 1002 HD21 LEU 60 HD21 LEU 60 14.982 16.600 18.332 1003 HD22 LEU 60 HD22 LEU 60 14.439 15.110 19.100 1004 HD23 LEU 60 HD23 LEU 60 14.067 16.678 19.851 1005 H ILE 61 H ILE 61 15.609 20.465 20.301 1006 HA ILE 61 HA ILE 61 18.024 22.028 21.083 1007 HB ILE 61 HB ILE 61 17.027 24.082 20.162 1008 HG12 ILE 61 HG12 ILE 61 15.451 23.734 18.136 1009 HG13 ILE 61 HG13 ILE 61 14.977 22.224 18.907 1010 HG21 ILE 61 HG21 ILE 61 18.813 22.821 19.005 1011 HG22 ILE 61 HG22 ILE 61 17.579 22.010 18.013 1012 HG23 ILE 61 HG23 ILE 61 17.799 23.768 17.908 1013 HD11 ILE 61 HD11 ILE 61 14.088 23.488 20.830 1014 HD12 ILE 61 HD12 ILE 61 14.758 24.991 20.149 1015 HD13 ILE 61 HD13 ILE 61 13.439 24.136 19.317 1016 H GLU 62 H GLU 62 17.476 23.819 22.625 1017 HA GLU 62 HA GLU 62 15.604 22.858 24.639 1018 HB2 GLU 62 HB2 GLU 62 17.132 25.476 24.445 1019 HB3 GLU 62 HB3 GLU 62 16.141 24.973 25.819 1020 HG2 GLU 62 HG2 GLU 62 17.603 22.941 26.078 1021 HG3 GLU 62 HG3 GLU 62 18.656 23.574 24.808 1022 H GLU 63 H GLU 63 13.526 23.501 25.067 1023 HA GLU 63 HA GLU 63 12.342 25.758 23.494 1024 HB2 GLU 63 HB2 GLU 63 10.192 25.025 24.163 1025 HB3 GLU 63 HB3 GLU 63 11.104 23.708 23.468 1026 HG2 GLU 63 HG2 GLU 63 10.003 22.680 25.210 1027 HG3 GLU 63 HG3 GLU 63 11.619 22.905 25.846 1028 H GLN 64 H GLN 64 13.840 25.125 26.475 1029 HA GLN 64 HA GLN 64 12.695 27.315 28.053 1030 HB2 GLN 64 HB2 GLN 64 15.169 25.539 28.318 1031 HB3 GLN 64 HB3 GLN 64 14.746 26.768 29.502 1032 HG2 GLN 64 HG2 GLN 64 12.949 24.420 28.760 1033 HG3 GLN 64 HG3 GLN 64 14.016 24.486 30.156 1034 HE21 GLN 64 HE21 GLN 64 10.834 24.797 29.388 1035 HE22 GLN 64 HE22 GLN 64 10.360 25.905 30.684 1036 H ASN 65 H ASN 65 14.483 28.823 29.045 1037 HA ASN 65 HA ASN 65 15.736 30.675 28.869 1038 HB2 ASN 65 HB2 ASN 65 17.323 28.765 27.137 1039 HB3 ASN 65 HB3 ASN 65 17.976 30.207 27.914 1040 HD21 ASN 65 HD21 ASN 65 18.100 26.982 28.250 1041 HD22 ASN 65 HD22 ASN 65 18.139 26.898 30.000 1042 H ARG 66 H ARG 66 13.584 30.734 26.941 1043 HA ARG 66 HA ARG 66 14.483 32.359 24.662 1044 HB2 ARG 66 HB2 ARG 66 11.736 31.950 25.919 1045 HB3 ARG 66 HB3 ARG 66 12.035 32.854 24.439 1046 HG2 ARG 66 HG2 ARG 66 12.563 29.881 24.831 1047 HG3 ARG 66 HG3 ARG 66 11.179 30.593 23.985 1048 HD2 ARG 66 HD2 ARG 66 12.756 31.641 22.349 1049 HD3 ARG 66 HD3 ARG 66 14.105 30.852 23.160 1050 HE ARG 66 HE ARG 66 12.143 29.634 21.353 1051 HH11 ARG 66 HH11 ARG 66 14.474 28.803 23.886 1052 HH12 ARG 66 HH12 ARG 66 14.706 27.221 23.184 1053 HH21 ARG 66 HH21 ARG 66 12.559 27.552 20.612 1054 HH22 ARG 66 HH22 ARG 66 13.696 26.563 21.512 Start of MODEL 14 1 H1 GLY -3 H1 GLY -3 21.335 3.397 -2.780 2 H2 GLY -3 H2 GLY -3 21.027 5.005 -2.716 3 H3 GLY -3 H3 GLY -3 22.082 4.410 -3.824 4 HA2 GLY -3 HA2 GLY -3 20.021 4.968 -4.897 5 HA3 GLY -3 HA3 GLY -3 20.339 3.225 -4.959 6 HA PRO -2 HA PRO -2 16.048 3.702 -3.289 7 HB2 PRO -2 HB2 PRO -2 14.909 1.582 -4.587 8 HB3 PRO -2 HB3 PRO -2 15.220 3.156 -5.376 9 HG2 PRO -2 HG2 PRO -2 16.959 0.667 -5.449 10 HG3 PRO -2 HG3 PRO -2 16.380 1.655 -6.840 11 HD2 PRO -2 HD2 PRO -2 18.846 2.018 -5.763 12 HD3 PRO -2 HD3 PRO -2 17.878 3.411 -6.327 13 H GLY -1 H GLY -1 14.773 2.344 -1.900 14 HA2 GLY -1 HA2 GLY -1 14.333 0.668 -0.357 15 HA3 GLY -1 HA3 GLY -1 15.753 -0.220 -0.894 16 H SER 0 H SER 0 15.068 -0.128 1.703 17 HA SER 0 HA SER 0 15.748 0.133 3.824 18 HB2 SER 0 HB2 SER 0 18.401 1.009 2.665 19 HB3 SER 0 HB3 SER 0 18.117 0.418 4.296 20 HG SER 0 HG SER 0 17.539 -1.594 3.479 21 H MET 1 H MET 1 15.925 3.060 2.003 22 HA MET 1 HA MET 1 15.178 4.643 4.357 23 HB2 MET 1 HB2 MET 1 16.881 6.357 3.976 24 HB3 MET 1 HB3 MET 1 17.602 4.810 4.418 25 HG2 MET 1 HG2 MET 1 18.220 4.388 2.080 26 HG3 MET 1 HG3 MET 1 17.369 5.840 1.559 27 HE1 MET 1 HE1 MET 1 20.443 4.386 3.499 28 HE2 MET 1 HE2 MET 1 21.338 5.859 3.958 29 HE3 MET 1 HE3 MET 1 19.793 5.476 4.746 30 H CYS 2 H CYS 2 14.368 6.764 3.793 31 HA CYS 2 HA CYS 2 13.895 7.532 1.029 32 HB2 CYS 2 HB2 CYS 2 11.443 7.451 1.139 33 HB3 CYS 2 HB3 CYS 2 12.126 5.828 1.272 34 HG CYS 2 HG CYS 2 11.893 5.531 3.815 35 H MET 3 H MET 3 12.682 9.590 0.879 36 HA MET 3 HA MET 3 13.276 11.484 3.019 37 HB2 MET 3 HB2 MET 3 11.772 11.696 0.386 38 HB3 MET 3 HB3 MET 3 11.778 12.988 1.590 39 HG2 MET 3 HG2 MET 3 13.484 13.591 0.151 40 HG3 MET 3 HG3 MET 3 14.293 12.933 1.566 41 HE1 MET 3 HE1 MET 3 14.206 11.217 -2.716 42 HE2 MET 3 HE2 MET 3 12.693 11.507 -1.829 43 HE3 MET 3 HE3 MET 3 13.774 12.859 -2.210 44 H ALA 4 H ALA 4 11.815 12.608 4.304 45 HA ALA 4 HA ALA 4 9.553 11.063 5.304 46 HB1 ALA 4 HB1 ALA 4 9.428 12.959 6.940 47 HB2 ALA 4 HB2 ALA 4 11.039 12.245 6.834 48 HB3 ALA 4 HB3 ALA 4 10.687 13.802 6.035 49 H LYS 5 H LYS 5 7.515 12.265 5.845 50 HA LYS 5 HA LYS 5 6.674 14.317 3.875 51 HB2 LYS 5 HB2 LYS 5 4.447 13.287 3.630 52 HB3 LYS 5 HB3 LYS 5 5.758 12.340 2.926 53 HG2 LYS 5 HG2 LYS 5 5.696 10.778 4.845 54 HG3 LYS 5 HG3 LYS 5 4.405 11.736 5.595 55 HD2 LYS 5 HD2 LYS 5 2.941 11.323 3.663 56 HD3 LYS 5 HD3 LYS 5 4.199 10.388 2.860 57 HE2 LYS 5 HE2 LYS 5 2.983 9.641 5.550 58 HE3 LYS 5 HE3 LYS 5 2.384 9.049 4.002 59 HZ1 LYS 5 HZ1 LYS 5 5.121 8.554 5.058 60 HZ2 LYS 5 HZ2 LYS 5 3.934 7.465 5.008 61 HZ3 LYS 5 HZ3 LYS 5 4.555 8.037 3.603 62 H VAL 6 H VAL 6 5.515 15.930 4.667 63 HA VAL 6 HA VAL 6 5.314 16.097 7.645 64 HB VAL 6 HB VAL 6 5.466 18.298 5.573 65 HG11 VAL 6 HG11 VAL 6 5.837 19.816 7.501 66 HG12 VAL 6 HG12 VAL 6 4.214 19.145 7.472 67 HG13 VAL 6 HG13 VAL 6 5.428 18.484 8.610 68 HG21 VAL 6 HG21 VAL 6 7.610 17.051 5.928 69 HG22 VAL 6 HG22 VAL 6 7.689 18.740 6.450 70 HG23 VAL 6 HG23 VAL 6 7.510 17.458 7.658 71 H VAL 7 H VAL 7 3.435 16.695 8.678 72 HA VAL 7 HA VAL 7 1.079 17.487 7.072 73 HB VAL 7 HB VAL 7 0.779 15.113 7.305 74 HG11 VAL 7 HG11 VAL 7 0.936 15.469 10.335 75 HG12 VAL 7 HG12 VAL 7 0.538 13.979 9.465 76 HG13 VAL 7 HG13 VAL 7 2.157 14.668 9.319 77 HG21 VAL 7 HG21 VAL 7 -1.224 16.636 7.558 78 HG22 VAL 7 HG22 VAL 7 -1.400 15.028 8.286 79 HG23 VAL 7 HG23 VAL 7 -1.092 16.438 9.319 80 H LEU 8 H LEU 8 -0.282 18.870 7.988 81 HA LEU 8 HA LEU 8 -0.088 19.677 10.810 82 HB2 LEU 8 HB2 LEU 8 0.471 21.976 10.353 83 HB3 LEU 8 HB3 LEU 8 1.688 20.929 9.650 84 HG LEU 8 HG LEU 8 0.111 21.221 7.452 85 HD11 LEU 8 HD11 LEU 8 -0.554 23.621 7.273 86 HD12 LEU 8 HD12 LEU 8 -1.510 22.770 8.478 87 HD13 LEU 8 HD13 LEU 8 -0.193 23.844 8.989 88 HD21 LEU 8 HD21 LEU 8 2.205 23.225 8.340 89 HD22 LEU 8 HD22 LEU 8 2.523 21.655 7.564 90 HD23 LEU 8 HD23 LEU 8 1.666 22.916 6.677 91 H THR 9 H THR 9 -1.783 21.282 11.380 92 HA THR 9 HA THR 9 -4.143 21.232 9.542 93 HB THR 9 HB THR 9 -4.303 20.892 12.541 94 HG1 THR 9 HG1 THR 9 -4.715 18.786 12.141 95 HG21 THR 9 HG21 THR 9 -6.650 20.225 12.046 96 HG22 THR 9 HG22 THR 9 -6.334 21.896 11.575 97 HG23 THR 9 HG23 THR 9 -6.380 20.624 10.330 98 H LYS 10 H LYS 10 -5.086 23.106 9.161 99 HA LYS 10 HA LYS 10 -3.952 25.591 10.191 100 HB2 LYS 10 HB2 LYS 10 -6.291 25.018 8.323 101 HB3 LYS 10 HB3 LYS 10 -5.597 26.618 8.613 102 HG2 LYS 10 HG2 LYS 10 -3.414 25.870 7.746 103 HG3 LYS 10 HG3 LYS 10 -4.065 24.262 7.420 104 HD2 LYS 10 HD2 LYS 10 -5.088 26.835 6.141 105 HD3 LYS 10 HD3 LYS 10 -3.912 25.722 5.407 106 HE2 LYS 10 HE2 LYS 10 -5.578 23.887 5.498 107 HE3 LYS 10 HE3 LYS 10 -6.762 24.993 6.214 108 HZ1 LYS 10 HZ1 LYS 10 -6.628 26.343 4.188 109 HZ2 LYS 10 HZ2 LYS 10 -5.550 25.303 3.526 110 HZ3 LYS 10 HZ3 LYS 10 -7.081 24.822 3.826 111 H ALA 11 H ALA 11 -5.324 27.380 10.970 112 HA ALA 11 HA ALA 11 -6.875 26.768 13.278 113 HB1 ALA 11 HB1 ALA 11 -7.339 29.193 13.276 114 HB2 ALA 11 HB2 ALA 11 -5.626 28.869 12.921 115 HB3 ALA 11 HB3 ALA 11 -6.738 29.318 11.611 116 H ASP 12 H ASP 12 -7.864 27.109 9.917 117 HA ASP 12 HA ASP 12 -10.723 27.226 10.415 118 HB2 ASP 12 HB2 ASP 12 -9.452 28.107 8.397 119 HB3 ASP 12 HB3 ASP 12 -9.260 26.437 7.861 120 H GLY 13 H GLY 13 -8.591 24.707 10.937 121 HA2 GLY 13 HA2 GLY 13 -9.055 22.525 11.580 122 HA3 GLY 13 HA3 GLY 13 -10.695 22.671 10.971 123 H GLY 14 H GLY 14 -8.848 23.618 8.396 124 HA2 GLY 14 HA2 GLY 14 -8.979 20.992 7.057 125 HA3 GLY 14 HA3 GLY 14 -8.532 22.533 6.327 126 H ARG 15 H ARG 15 -7.258 19.718 6.473 127 HA ARG 15 HA ARG 15 -4.636 20.266 7.722 128 HB2 ARG 15 HB2 ARG 15 -5.468 17.878 6.062 129 HB3 ARG 15 HB3 ARG 15 -3.998 18.058 7.011 130 HG2 ARG 15 HG2 ARG 15 -5.646 18.419 9.040 131 HG3 ARG 15 HG3 ARG 15 -6.834 17.647 7.978 132 HD2 ARG 15 HD2 ARG 15 -4.203 16.522 9.012 133 HD3 ARG 15 HD3 ARG 15 -5.818 15.910 9.348 134 HE ARG 15 HE ARG 15 -4.227 15.632 6.819 135 HH11 ARG 15 HH11 ARG 15 -7.258 14.699 8.360 136 HH12 ARG 15 HH12 ARG 15 -7.565 13.503 7.126 137 HH21 ARG 15 HH21 ARG 15 -4.661 14.270 5.390 138 HH22 ARG 15 HH22 ARG 15 -6.102 13.245 5.428 139 H VAL 16 H VAL 16 -2.665 20.022 6.658 140 HA VAL 16 HA VAL 16 -2.552 20.279 3.703 141 HB VAL 16 HB VAL 16 -0.891 22.004 5.580 142 HG11 VAL 16 HG11 VAL 16 -0.827 21.790 2.545 143 HG12 VAL 16 HG12 VAL 16 0.015 23.024 3.507 144 HG13 VAL 16 HG13 VAL 16 0.476 21.337 3.675 145 HG21 VAL 16 HG21 VAL 16 -3.129 22.953 5.316 146 HG22 VAL 16 HG22 VAL 16 -1.958 23.919 4.422 147 HG23 VAL 16 HG23 VAL 16 -3.013 22.784 3.547 148 H GLU 17 H GLU 17 -0.943 19.069 2.797 149 HA GLU 17 HA GLU 17 1.012 17.684 4.564 150 HB2 GLU 17 HB2 GLU 17 -0.642 16.335 2.385 151 HB3 GLU 17 HB3 GLU 17 0.750 15.642 3.210 152 HG2 GLU 17 HG2 GLU 17 -0.825 14.672 4.460 153 HG3 GLU 17 HG3 GLU 17 -0.586 16.111 5.419 154 H ILE 18 H ILE 18 2.989 17.207 3.682 155 HA ILE 18 HA ILE 18 3.618 18.191 0.924 156 HB ILE 18 HB ILE 18 5.281 18.750 3.392 157 HG12 ILE 18 HG12 ILE 18 3.988 20.927 1.707 158 HG13 ILE 18 HG13 ILE 18 3.118 20.209 3.058 159 HG21 ILE 18 HG21 ILE 18 6.697 20.088 1.851 160 HG22 ILE 18 HG22 ILE 18 6.645 18.407 1.335 161 HG23 ILE 18 HG23 ILE 18 5.668 19.623 0.490 162 HD11 ILE 18 HD11 ILE 18 4.893 20.784 4.624 163 HD12 ILE 18 HD12 ILE 18 5.810 21.582 3.320 164 HD13 ILE 18 HD13 ILE 18 4.228 22.207 3.802 165 H GLY 19 H GLY 19 4.457 16.529 -0.192 166 HA2 GLY 19 HA2 GLY 19 5.552 14.160 1.183 167 HA3 GLY 19 HA3 GLY 19 5.208 14.314 -0.532 168 H ASP 20 H ASP 20 7.512 13.192 0.712 169 HA ASP 20 HA ASP 20 9.729 13.013 0.434 170 HB2 ASP 20 HB2 ASP 20 9.076 14.347 -2.202 171 HB3 ASP 20 HB3 ASP 20 10.496 13.348 -1.855 172 H VAL 21 H VAL 21 9.527 14.968 2.201 173 HA VAL 21 HA VAL 21 10.984 17.352 1.385 174 HB VAL 21 HB VAL 21 10.894 18.053 3.650 175 HG11 VAL 21 HG11 VAL 21 8.229 16.867 2.749 176 HG12 VAL 21 HG12 VAL 21 8.440 18.127 3.960 177 HG13 VAL 21 HG13 VAL 21 8.931 18.447 2.298 178 HG21 VAL 21 HG21 VAL 21 11.201 15.876 4.851 179 HG22 VAL 21 HG22 VAL 21 9.895 16.866 5.469 180 HG23 VAL 21 HG23 VAL 21 9.512 15.475 4.448 181 H LEU 22 H LEU 22 13.046 17.919 1.690 182 HA LEU 22 HA LEU 22 15.052 15.839 2.387 183 HB2 LEU 22 HB2 LEU 22 15.341 18.707 1.400 184 HB3 LEU 22 HB3 LEU 22 16.674 17.596 1.705 185 HG LEU 22 HG LEU 22 14.564 17.291 -0.469 186 HD11 LEU 22 HD11 LEU 22 16.220 19.053 -0.905 187 HD12 LEU 22 HD12 LEU 22 17.554 17.929 -0.528 188 HD13 LEU 22 HD13 LEU 22 16.537 17.658 -1.951 189 HD21 LEU 22 HD21 LEU 22 15.279 15.067 0.304 190 HD22 LEU 22 HD22 LEU 22 15.962 15.419 -1.291 191 HD23 LEU 22 HD23 LEU 22 16.986 15.538 0.151 192 H GLU 23 H GLU 23 13.661 18.881 3.693 193 HA GLU 23 HA GLU 23 15.079 18.410 6.237 194 HB2 GLU 23 HB2 GLU 23 16.741 19.569 4.915 195 HB3 GLU 23 HB3 GLU 23 15.591 20.847 4.494 196 HG2 GLU 23 HG2 GLU 23 15.555 21.665 6.767 197 HG3 GLU 23 HG3 GLU 23 16.433 20.248 7.353 198 H VAL 24 H VAL 24 14.185 19.401 7.984 199 HA VAL 24 HA VAL 24 11.959 21.342 7.662 200 HB VAL 24 HB VAL 24 11.803 18.910 9.475 201 HG11 VAL 24 HG11 VAL 24 10.632 20.827 10.456 202 HG12 VAL 24 HG12 VAL 24 9.796 21.133 8.928 203 HG13 VAL 24 HG13 VAL 24 9.463 19.660 9.864 204 HG21 VAL 24 HG21 VAL 24 11.389 18.184 7.176 205 HG22 VAL 24 HG22 VAL 24 9.872 18.212 8.057 206 HG23 VAL 24 HG23 VAL 24 10.246 19.533 6.942 207 H ARG 25 H ARG 25 12.027 22.957 9.141 208 HA ARG 25 HA ARG 25 13.907 22.811 11.497 209 HB2 ARG 25 HB2 ARG 25 13.592 25.063 9.457 210 HB3 ARG 25 HB3 ARG 25 14.427 25.231 11.004 211 HG2 ARG 25 HG2 ARG 25 16.076 23.561 10.363 212 HG3 ARG 25 HG3 ARG 25 15.238 23.277 8.820 213 HD2 ARG 25 HD2 ARG 25 15.614 25.687 8.245 214 HD3 ARG 25 HD3 ARG 25 16.567 25.863 9.729 215 HE ARG 25 HE ARG 25 17.540 23.643 8.124 216 HH11 ARG 25 HH11 ARG 25 19.237 23.687 6.946 217 HH12 ARG 25 HH12 ARG 25 20.070 25.183 6.533 218 HH21 ARG 25 HH21 ARG 25 17.719 27.158 8.137 219 HH22 ARG 25 HH22 ARG 25 19.187 27.135 7.197 220 H ALA 26 H ALA 26 13.027 23.409 13.362 221 HA ALA 26 HA ALA 26 10.556 25.087 13.434 222 HB1 ALA 26 HB1 ALA 26 10.550 24.530 15.837 223 HB2 ALA 26 HB2 ALA 26 10.530 23.064 14.832 224 HB3 ALA 26 HB3 ALA 26 12.036 23.573 15.627 225 H GLU 27 H GLU 27 11.013 27.231 13.284 226 HA GLU 27 HA GLU 27 13.341 28.458 14.628 227 HB2 GLU 27 HB2 GLU 27 14.365 27.406 12.722 228 HB3 GLU 27 HB3 GLU 27 13.153 27.986 11.616 229 HG2 GLU 27 HG2 GLU 27 14.898 29.920 13.197 230 HG3 GLU 27 HG3 GLU 27 15.534 29.099 11.770 231 H GLY 28 H GLY 28 13.061 30.589 15.028 232 HA2 GLY 28 HA2 GLY 28 12.232 32.707 15.010 233 HA3 GLY 28 HA3 GLY 28 11.794 32.441 13.328 234 H GLY 29 H GLY 29 10.345 30.550 15.958 235 HA2 GLY 29 HA2 GLY 29 8.188 30.470 16.798 236 HA3 GLY 29 HA3 GLY 29 7.859 32.086 16.146 237 H ALA 30 H ALA 30 9.037 29.568 14.009 238 HA ALA 30 HA ALA 30 6.368 28.886 12.926 239 HB1 ALA 30 HB1 ALA 30 7.241 30.928 11.735 240 HB2 ALA 30 HB2 ALA 30 8.704 30.023 11.301 241 HB3 ALA 30 HB3 ALA 30 7.127 29.521 10.663 242 H VAL 31 H VAL 31 6.566 27.178 11.233 243 HA VAL 31 HA VAL 31 9.093 25.566 11.413 244 HB VAL 31 HB VAL 31 6.322 24.529 10.786 245 HG11 VAL 31 HG11 VAL 31 7.869 23.394 9.271 246 HG12 VAL 31 HG12 VAL 31 9.050 23.149 10.583 247 HG13 VAL 31 HG13 VAL 31 7.494 22.303 10.594 248 HG21 VAL 31 HG21 VAL 31 6.942 24.777 13.205 249 HG22 VAL 31 HG22 VAL 31 6.696 23.104 12.738 250 HG23 VAL 31 HG23 VAL 31 8.348 23.741 12.936 251 H ARG 32 H ARG 32 10.225 25.234 9.615 252 HA ARG 32 HA ARG 32 9.112 26.065 6.972 253 HB2 ARG 32 HB2 ARG 32 11.882 26.674 8.091 254 HB3 ARG 32 HB3 ARG 32 11.447 26.816 6.375 255 HG2 ARG 32 HG2 ARG 32 9.594 28.378 7.035 256 HG3 ARG 32 HG3 ARG 32 10.193 28.361 8.694 257 HD2 ARG 32 HD2 ARG 32 12.271 29.404 8.043 258 HD3 ARG 32 HD3 ARG 32 11.928 29.154 6.331 259 HE ARG 32 HE ARG 32 10.373 30.897 6.313 260 HH11 ARG 32 HH11 ARG 32 11.848 30.775 9.529 261 HH12 ARG 32 HH12 ARG 32 10.984 32.202 10.027 262 HH21 ARG 32 HH21 ARG 32 9.426 32.746 7.024 263 HH22 ARG 32 HH22 ARG 32 9.714 33.305 8.650 264 H VAL 33 H VAL 33 9.832 24.972 5.176 265 HA VAL 33 HA VAL 33 11.071 22.285 5.615 266 HB VAL 33 HB VAL 33 8.503 22.720 4.074 267 HG11 VAL 33 HG11 VAL 33 9.645 20.832 3.190 268 HG12 VAL 33 HG12 VAL 33 9.893 20.161 4.815 269 HG13 VAL 33 HG13 VAL 33 8.260 20.311 4.128 270 HG21 VAL 33 HG21 VAL 33 7.976 23.022 6.457 271 HG22 VAL 33 HG22 VAL 33 7.340 21.482 5.881 272 HG23 VAL 33 HG23 VAL 33 8.831 21.514 6.845 273 H THR 34 H THR 34 12.138 21.411 3.877 274 HA THR 34 HA THR 34 12.108 22.879 1.258 275 HB THR 34 HB THR 34 14.541 21.575 2.529 276 HG1 THR 34 HG1 THR 34 14.037 23.567 3.456 277 HG21 THR 34 HG21 THR 34 14.703 21.385 0.122 278 HG22 THR 34 HG22 THR 34 14.175 23.066 -0.104 279 HG23 THR 34 HG23 THR 34 15.753 22.710 0.629 280 H THR 35 H THR 35 11.694 21.651 -0.478 281 HA THR 35 HA THR 35 11.376 18.703 -0.169 282 HB THR 35 HB THR 35 10.025 18.772 -2.143 283 HG1 THR 35 HG1 THR 35 10.492 21.555 -2.215 284 HG21 THR 35 HG21 THR 35 9.170 21.071 -0.349 285 HG22 THR 35 HG22 THR 35 8.145 20.125 -1.462 286 HG23 THR 35 HG23 THR 35 8.866 19.343 -0.046 287 H LEU 36 H LEU 36 11.878 17.330 -2.078 288 HA LEU 36 HA LEU 36 14.571 17.603 -2.935 289 HB2 LEU 36 HB2 LEU 36 14.317 15.586 -3.999 290 HB3 LEU 36 HB3 LEU 36 13.198 15.480 -2.655 291 HG LEU 36 HG LEU 36 12.468 16.014 -5.582 292 HD11 LEU 36 HD11 LEU 36 13.231 13.705 -5.094 293 HD12 LEU 36 HD12 LEU 36 12.001 13.580 -3.812 294 HD13 LEU 36 HD13 LEU 36 11.508 13.764 -5.510 295 HD21 LEU 36 HD21 LEU 36 10.683 15.670 -3.135 296 HD22 LEU 36 HD22 LEU 36 10.780 17.085 -4.198 297 HD23 LEU 36 HD23 LEU 36 10.111 15.576 -4.808 298 H PHE 37 H PHE 37 11.810 19.150 -4.247 299 HA PHE 37 HA PHE 37 12.935 19.582 -6.929 300 HB2 PHE 37 HB2 PHE 37 10.590 20.923 -5.547 301 HB3 PHE 37 HB3 PHE 37 10.936 20.943 -7.270 302 HD1 PHE 37 HD1 PHE 37 8.822 19.515 -4.902 303 HD2 PHE 37 HD2 PHE 37 11.234 18.415 -8.307 304 HE1 PHE 37 HE1 PHE 37 7.409 17.508 -5.252 305 HE2 PHE 37 HE2 PHE 37 9.830 16.396 -8.646 306 HZ PHE 37 HZ PHE 37 7.907 15.937 -7.127 307 H ASP 38 H ASP 38 13.837 20.788 -3.991 308 HA ASP 38 HA ASP 38 14.728 22.601 -3.104 309 HB2 ASP 38 HB2 ASP 38 15.208 23.752 -5.862 310 HB3 ASP 38 HB3 ASP 38 15.980 24.234 -4.358 311 H GLU 39 H GLU 39 11.789 22.507 -4.076 312 HA GLU 39 HA GLU 39 11.000 25.330 -3.780 313 HB2 GLU 39 HB2 GLU 39 9.630 23.943 -5.215 314 HB3 GLU 39 HB3 GLU 39 9.436 22.738 -3.951 315 HG2 GLU 39 HG2 GLU 39 7.403 23.933 -4.165 316 HG3 GLU 39 HG3 GLU 39 8.086 24.332 -2.606 317 H GLU 40 H GLU 40 9.924 26.141 -1.962 318 HA GLU 40 HA GLU 40 10.494 24.745 0.624 319 HB2 GLU 40 HB2 GLU 40 11.182 27.610 -0.093 320 HB3 GLU 40 HB3 GLU 40 11.228 26.936 1.547 321 HG2 GLU 40 HG2 GLU 40 12.941 25.314 0.855 322 HG3 GLU 40 HG3 GLU 40 12.885 25.912 -0.809 323 H HIS 41 H HIS 41 9.308 25.334 2.403 324 HA HIS 41 HA HIS 41 6.786 26.879 1.984 325 HB2 HIS 41 HB2 HIS 41 6.890 24.171 3.342 326 HB3 HIS 41 HB3 HIS 41 5.472 25.153 3.007 327 HD2 HIS 41 HD2 HIS 41 7.747 22.557 1.436 328 HE1 HIS 41 HE1 HIS 41 4.984 23.641 -1.628 329 HE2 HIS 41 HE2 HIS 41 6.812 21.999 -0.959 330 H ALA 42 H ALA 42 5.814 27.676 3.945 331 HA ALA 42 HA ALA 42 7.363 27.539 6.452 332 HB1 ALA 42 HB1 ALA 42 7.591 29.984 6.582 333 HB2 ALA 42 HB2 ALA 42 8.437 29.351 5.152 334 HB3 ALA 42 HB3 ALA 42 6.864 30.160 4.966 335 H PHE 43 H PHE 43 6.179 27.779 8.226 336 HA PHE 43 HA PHE 43 3.307 28.593 8.082 337 HB2 PHE 43 HB2 PHE 43 4.361 26.024 9.273 338 HB3 PHE 43 HB3 PHE 43 2.681 26.573 9.250 339 HD1 PHE 43 HD1 PHE 43 5.368 24.939 7.387 340 HD2 PHE 43 HD2 PHE 43 1.452 26.724 7.027 341 HE1 PHE 43 HE1 PHE 43 5.081 23.851 5.182 342 HE2 PHE 43 HE2 PHE 43 1.161 25.640 4.815 343 HZ PHE 43 HZ PHE 43 2.961 24.193 3.889 344 HA PRO 44 HA PRO 44 5.067 30.573 11.838 345 HB2 PRO 44 HB2 PRO 44 2.640 32.280 11.338 346 HB3 PRO 44 HB3 PRO 44 4.284 32.773 11.836 347 HG2 PRO 44 HG2 PRO 44 3.505 33.107 9.268 348 HG3 PRO 44 HG3 PRO 44 5.140 32.447 9.626 349 HD2 PRO 44 HD2 PRO 44 2.612 30.920 8.919 350 HD3 PRO 44 HD3 PRO 44 4.264 30.751 8.231 351 H GLY 45 H GLY 45 4.480 30.420 13.955 352 HA2 GLY 45 HA2 GLY 45 3.175 30.059 15.850 353 HA3 GLY 45 HA3 GLY 45 1.747 29.860 14.840 354 H LEU 46 H LEU 46 4.075 27.775 13.596 355 HA LEU 46 HA LEU 46 3.015 25.475 15.144 356 HB2 LEU 46 HB2 LEU 46 4.457 25.503 12.477 357 HB3 LEU 46 HB3 LEU 46 3.822 24.078 13.295 358 HG LEU 46 HG LEU 46 2.234 26.355 12.039 359 HD11 LEU 46 HD11 LEU 46 1.400 24.611 10.585 360 HD12 LEU 46 HD12 LEU 46 3.168 24.506 10.599 361 HD13 LEU 46 HD13 LEU 46 2.221 23.349 11.540 362 HD21 LEU 46 HD21 LEU 46 0.194 25.085 12.659 363 HD22 LEU 46 HD22 LEU 46 1.183 24.008 13.674 364 HD23 LEU 46 HD23 LEU 46 1.015 25.732 14.079 365 H ALA 47 H ALA 47 4.345 23.750 15.694 366 HA ALA 47 HA ALA 47 7.268 23.966 15.546 367 HB1 ALA 47 HB1 ALA 47 6.756 24.869 17.786 368 HB2 ALA 47 HB2 ALA 47 5.780 23.422 18.160 369 HB3 ALA 47 HB3 ALA 47 7.528 23.280 17.926 370 H ILE 48 H ILE 48 8.299 21.812 15.869 371 HA ILE 48 HA ILE 48 6.748 19.680 14.586 372 HB ILE 48 HB ILE 48 9.553 19.637 15.736 373 HG12 ILE 48 HG12 ILE 48 8.904 19.742 12.770 374 HG13 ILE 48 HG13 ILE 48 9.058 21.223 13.698 375 HG21 ILE 48 HG21 ILE 48 8.607 17.362 15.560 376 HG22 ILE 48 HG22 ILE 48 8.109 17.688 13.890 377 HG23 ILE 48 HG23 ILE 48 9.821 17.591 14.312 378 HD11 ILE 48 HD11 ILE 48 11.171 20.776 12.682 379 HD12 ILE 48 HD12 ILE 48 11.328 20.570 14.437 380 HD13 ILE 48 HD13 ILE 48 11.238 19.146 13.371 381 H GLY 49 H GLY 49 5.461 18.279 15.662 382 HA2 GLY 49 HA2 GLY 49 5.554 18.178 18.643 383 HA3 GLY 49 HA3 GLY 49 4.201 17.740 17.594 384 H ARG 50 H ARG 50 5.560 15.984 15.813 385 HA ARG 50 HA ARG 50 6.702 13.768 17.395 386 HB2 ARG 50 HB2 ARG 50 4.326 13.496 17.840 387 HB3 ARG 50 HB3 ARG 50 3.923 13.650 16.141 388 HG2 ARG 50 HG2 ARG 50 5.009 11.492 15.641 389 HG3 ARG 50 HG3 ARG 50 5.568 11.363 17.319 390 HD2 ARG 50 HD2 ARG 50 3.202 11.350 18.092 391 HD3 ARG 50 HD3 ARG 50 2.657 11.450 16.420 392 HE ARG 50 HE ARG 50 4.039 9.120 17.721 393 HH11 ARG 50 HH11 ARG 50 2.290 10.207 14.847 394 HH12 ARG 50 HH12 ARG 50 2.257 8.570 14.224 395 HH21 ARG 50 HH21 ARG 50 3.868 7.211 16.916 396 HH22 ARG 50 HH22 ARG 50 3.277 6.970 15.256 397 H VAL 51 H VAL 51 7.741 12.241 16.205 398 HA VAL 51 HA VAL 51 7.623 12.373 13.241 399 HB VAL 51 HB VAL 51 10.241 12.020 14.721 400 HG11 VAL 51 HG11 VAL 51 9.561 12.390 11.775 401 HG12 VAL 51 HG12 VAL 51 11.196 12.302 12.445 402 HG13 VAL 51 HG13 VAL 51 10.130 10.898 12.535 403 HG21 VAL 51 HG21 VAL 51 10.869 14.248 13.781 404 HG22 VAL 51 HG22 VAL 51 9.193 14.491 13.259 405 HG23 VAL 51 HG23 VAL 51 9.584 14.368 14.991 406 H ASP 52 H ASP 52 6.997 10.476 12.507 407 HA ASP 52 HA ASP 52 7.385 7.997 14.155 408 HB2 ASP 52 HB2 ASP 52 5.106 8.874 14.074 409 HB3 ASP 52 HB3 ASP 52 5.084 8.777 12.321 410 H LEU 53 H LEU 53 9.183 7.134 13.278 411 HA LEU 53 HA LEU 53 9.807 7.388 10.464 412 HB2 LEU 53 HB2 LEU 53 11.230 5.858 12.671 413 HB3 LEU 53 HB3 LEU 53 11.823 6.117 11.045 414 HG LEU 53 HG LEU 53 12.996 7.588 12.385 415 HD11 LEU 53 HD11 LEU 53 12.453 9.822 11.518 416 HD12 LEU 53 HD12 LEU 53 12.280 8.570 10.266 417 HD13 LEU 53 HD13 LEU 53 10.842 9.271 11.048 418 HD21 LEU 53 HD21 LEU 53 10.479 8.796 13.569 419 HD22 LEU 53 HD22 LEU 53 11.564 7.649 14.369 420 HD23 LEU 53 HD23 LEU 53 12.150 9.242 13.892 421 H ARG 54 H ARG 54 7.766 5.216 11.968 422 HA ARG 54 HA ARG 54 8.238 2.804 10.451 423 HB2 ARG 54 HB2 ARG 54 5.613 3.939 11.516 424 HB3 ARG 54 HB3 ARG 54 5.891 2.276 10.992 425 HG2 ARG 54 HG2 ARG 54 7.481 1.912 12.831 426 HG3 ARG 54 HG3 ARG 54 7.330 3.605 13.336 427 HD2 ARG 54 HD2 ARG 54 4.833 3.179 13.616 428 HD3 ARG 54 HD3 ARG 54 5.166 1.465 13.374 429 HE ARG 54 HE ARG 54 6.102 1.343 15.513 430 HH11 ARG 54 HH11 ARG 54 5.790 4.807 14.754 431 HH12 ARG 54 HH12 ARG 54 5.845 5.173 16.485 432 HH21 ARG 54 HH21 ARG 54 6.235 2.092 17.655 433 HH22 ARG 54 HH22 ARG 54 6.100 3.827 17.935 434 H SER 55 H SER 55 6.697 5.825 9.629 435 HA SER 55 HA SER 55 6.598 4.983 6.771 436 HB2 SER 55 HB2 SER 55 4.325 4.730 7.856 437 HB3 SER 55 HB3 SER 55 4.326 6.477 8.128 438 HG SER 55 HG SER 55 4.283 5.017 5.698 439 H GLY 56 H GLY 56 8.132 6.959 8.753 440 HA2 GLY 56 HA2 GLY 56 9.337 8.888 8.502 441 HA3 GLY 56 HA3 GLY 56 8.950 8.851 6.771 442 H VAL 57 H VAL 57 6.538 9.119 9.422 443 HA VAL 57 HA VAL 57 5.472 11.559 8.107 444 HB VAL 57 HB VAL 57 4.347 9.865 10.361 445 HG11 VAL 57 HG11 VAL 57 3.542 12.171 10.652 446 HG12 VAL 57 HG12 VAL 57 3.175 12.283 8.913 447 HG13 VAL 57 HG13 VAL 57 2.246 11.191 9.960 448 HG21 VAL 57 HG21 VAL 57 3.495 10.251 7.455 449 HG22 VAL 57 HG22 VAL 57 4.309 8.813 8.101 450 HG23 VAL 57 HG23 VAL 57 2.682 9.225 8.658 451 H ILE 58 H ILE 58 5.932 13.532 8.731 452 HA ILE 58 HA ILE 58 6.911 14.134 11.504 453 HB ILE 58 HB ILE 58 7.236 15.556 8.845 454 HG12 ILE 58 HG12 ILE 58 9.325 14.535 10.820 455 HG13 ILE 58 HG13 ILE 58 8.782 13.635 9.403 456 HG21 ILE 58 HG21 ILE 58 6.799 17.306 10.499 457 HG22 ILE 58 HG22 ILE 58 7.987 16.594 11.620 458 HG23 ILE 58 HG23 ILE 58 8.493 17.330 10.081 459 HD11 ILE 58 HD11 ILE 58 9.573 15.556 7.959 460 HD12 ILE 58 HD12 ILE 58 10.354 16.232 9.411 461 HD13 ILE 58 HD13 ILE 58 10.833 14.646 8.797 462 H SER 59 H SER 59 5.281 14.688 12.797 463 HA SER 59 HA SER 59 2.850 16.043 11.696 464 HB2 SER 59 HB2 SER 59 3.292 14.766 14.410 465 HB3 SER 59 HB3 SER 59 1.784 15.480 13.823 466 HG SER 59 HG SER 59 3.151 13.190 12.802 467 H LEU 60 H LEU 60 2.681 18.166 11.901 468 HA LEU 60 HA LEU 60 4.254 19.641 13.960 469 HB2 LEU 60 HB2 LEU 60 2.613 20.822 11.725 470 HB3 LEU 60 HB3 LEU 60 3.834 21.611 12.716 471 HG LEU 60 HG LEU 60 4.315 19.512 10.555 472 HD11 LEU 60 HD11 LEU 60 3.817 21.773 9.736 473 HD12 LEU 60 HD12 LEU 60 5.061 22.453 10.794 474 HD13 LEU 60 HD13 LEU 60 5.521 21.375 9.457 475 HD21 LEU 60 HD21 LEU 60 6.737 19.931 10.958 476 HD22 LEU 60 HD22 LEU 60 6.323 20.876 12.401 477 HD23 LEU 60 HD23 LEU 60 5.959 19.135 12.326 478 H ILE 61 H ILE 61 3.316 21.141 15.318 479 HA ILE 61 HA ILE 61 0.382 21.085 15.792 480 HB ILE 61 HB ILE 61 0.800 20.846 18.232 481 HG12 ILE 61 HG12 ILE 61 2.900 19.483 18.848 482 HG13 ILE 61 HG13 ILE 61 3.646 20.117 17.389 483 HG21 ILE 61 HG21 ILE 61 1.649 18.444 16.571 484 HG22 ILE 61 HG22 ILE 61 0.919 18.424 18.182 485 HG23 ILE 61 HG23 ILE 61 -0.025 19.004 16.799 486 HD11 ILE 61 HD11 ILE 61 3.461 22.410 18.324 487 HD12 ILE 61 HD12 ILE 61 2.605 21.762 19.737 488 HD13 ILE 61 HD13 ILE 61 4.295 21.318 19.438 489 H GLU 62 H GLU 62 -0.348 22.878 17.229 490 HA GLU 62 HA GLU 62 1.006 25.389 16.585 491 HB2 GLU 62 HB2 GLU 62 -1.302 24.779 18.463 492 HB3 GLU 62 HB3 GLU 62 -0.696 26.396 18.079 493 HG2 GLU 62 HG2 GLU 62 -1.195 26.017 15.679 494 HG3 GLU 62 HG3 GLU 62 -1.837 24.419 16.057 495 H GLU 63 H GLU 63 2.467 26.521 17.775 496 HA GLU 63 HA GLU 63 3.942 25.025 19.717 497 HB2 GLU 63 HB2 GLU 63 5.426 26.895 19.810 498 HB3 GLU 63 HB3 GLU 63 5.002 26.541 18.136 499 HG2 GLU 63 HG2 GLU 63 3.946 28.550 17.828 500 HG3 GLU 63 HG3 GLU 63 3.323 28.633 19.461 501 H GLN 64 H GLN 64 1.301 27.185 20.253 502 HA GLN 64 HA GLN 64 1.574 26.866 23.187 503 HB2 GLN 64 HB2 GLN 64 1.050 29.570 21.888 504 HB3 GLN 64 HB3 GLN 64 0.986 29.201 23.619 505 HG2 GLN 64 HG2 GLN 64 3.413 28.653 23.596 506 HG3 GLN 64 HG3 GLN 64 3.486 29.057 21.883 507 HE21 GLN 64 HE21 GLN 64 4.430 31.058 21.578 508 HE22 GLN 64 HE22 GLN 64 4.177 32.432 22.667 509 H ASN 65 H ASN 65 -0.373 26.788 24.284 510 HA ASN 65 HA ASN 65 -2.759 26.258 22.622 511 HB2 ASN 65 HB2 ASN 65 -2.151 25.575 25.527 512 HB3 ASN 65 HB3 ASN 65 -3.572 25.061 24.622 513 HD21 ASN 65 HD21 ASN 65 -3.224 23.633 22.720 514 HD22 ASN 65 HD22 ASN 65 -1.827 22.564 22.750 515 H ARG 66 H ARG 66 -2.318 28.935 22.688 516 HA ARG 66 HA ARG 66 -3.680 30.347 24.837 517 HB2 ARG 66 HB2 ARG 66 -2.887 31.290 22.038 518 HB3 ARG 66 HB3 ARG 66 -3.392 32.326 23.370 519 HG2 ARG 66 HG2 ARG 66 -0.867 30.626 23.305 520 HG3 ARG 66 HG3 ARG 66 -0.967 32.366 23.047 521 HD2 ARG 66 HD2 ARG 66 -1.759 32.685 25.355 522 HD3 ARG 66 HD3 ARG 66 -1.716 30.927 25.627 523 HE ARG 66 HE ARG 66 0.855 31.630 24.757 524 HH11 ARG 66 HH11 ARG 66 -1.092 32.420 27.567 525 HH12 ARG 66 HH12 ARG 66 0.317 32.671 28.563 526 HH21 ARG 66 HH21 ARG 66 2.534 31.939 26.011 527 HH22 ARG 66 HH22 ARG 66 2.364 32.420 27.691 528 H1 GLY -3 H1 GLY -3 11.406 -3.466 18.535 529 H2 GLY -3 H2 GLY -3 10.418 -4.540 19.299 530 H3 GLY -3 H3 GLY -3 10.165 -4.168 17.719 531 HA2 GLY -3 HA2 GLY -3 12.378 -5.110 17.170 532 HA3 GLY -3 HA3 GLY -3 12.455 -5.637 18.858 533 HA PRO -2 HA PRO -2 12.426 -6.165 15.283 534 HB2 PRO -2 HB2 PRO -2 10.949 -6.821 13.081 535 HB3 PRO -2 HB3 PRO -2 11.955 -7.998 13.969 536 HG2 PRO -2 HG2 PRO -2 8.981 -7.470 14.319 537 HG3 PRO -2 HG3 PRO -2 9.781 -9.045 13.991 538 HD2 PRO -2 HD2 PRO -2 9.148 -8.276 16.517 539 HD3 PRO -2 HD3 PRO -2 10.690 -9.120 16.192 540 H GLY -1 H GLY -1 11.786 -4.648 13.308 541 HA2 GLY -1 HA2 GLY -1 9.421 -2.985 13.640 542 HA3 GLY -1 HA3 GLY -1 10.907 -2.176 14.149 543 H SER 0 H SER 0 9.650 -0.939 12.251 544 HA SER 0 HA SER 0 9.935 -1.733 9.557 545 HB2 SER 0 HB2 SER 0 9.822 1.090 10.670 546 HB3 SER 0 HB3 SER 0 9.330 0.570 9.053 547 HG SER 0 HG SER 0 7.642 -0.610 9.950 548 H MET 1 H MET 1 11.182 -0.770 7.858 549 HA MET 1 HA MET 1 14.018 -0.153 8.354 550 HB2 MET 1 HB2 MET 1 12.239 -0.066 5.869 551 HB3 MET 1 HB3 MET 1 13.958 0.309 5.861 552 HG2 MET 1 HG2 MET 1 14.485 -1.919 6.783 553 HG3 MET 1 HG3 MET 1 12.785 -2.371 6.653 554 HE1 MET 1 HE1 MET 1 14.214 -4.451 5.394 555 HE2 MET 1 HE2 MET 1 15.026 -4.227 3.829 556 HE3 MET 1 HE3 MET 1 15.720 -3.513 5.307 557 H CYS 2 H CYS 2 14.670 1.910 6.826 558 HA CYS 2 HA CYS 2 14.825 4.150 6.581 559 HB2 CYS 2 HB2 CYS 2 11.828 4.089 6.924 560 HB3 CYS 2 HB3 CYS 2 12.761 5.368 6.128 561 HG CYS 2 HG CYS 2 12.356 2.194 5.265 562 H MET 3 H MET 3 14.773 3.145 9.433 563 HA MET 3 HA MET 3 13.775 5.172 11.159 564 HB2 MET 3 HB2 MET 3 16.001 3.158 11.480 565 HB3 MET 3 HB3 MET 3 15.495 4.225 12.789 566 HG2 MET 3 HG2 MET 3 13.291 3.346 12.862 567 HG3 MET 3 HG3 MET 3 13.472 2.503 11.325 568 HE1 MET 3 HE1 MET 3 16.425 0.943 11.690 569 HE2 MET 3 HE2 MET 3 15.525 -0.560 11.986 570 HE3 MET 3 HE3 MET 3 14.909 0.636 10.822 571 H ALA 4 H ALA 4 14.792 6.718 12.414 572 HA ALA 4 HA ALA 4 16.892 8.276 11.026 573 HB1 ALA 4 HB1 ALA 4 15.015 8.921 13.347 574 HB2 ALA 4 HB2 ALA 4 16.124 10.061 12.569 575 HB3 ALA 4 HB3 ALA 4 14.779 9.386 11.647 576 H LYS 5 H LYS 5 18.332 9.500 12.601 577 HA LYS 5 HA LYS 5 18.921 8.073 15.126 578 HB2 LYS 5 HB2 LYS 5 21.324 8.574 14.953 579 HB3 LYS 5 HB3 LYS 5 20.755 7.407 13.768 580 HG2 LYS 5 HG2 LYS 5 20.779 9.146 12.002 581 HG3 LYS 5 HG3 LYS 5 21.310 10.360 13.190 582 HD2 LYS 5 HD2 LYS 5 23.354 9.069 13.650 583 HD3 LYS 5 HD3 LYS 5 22.860 7.812 12.512 584 HE2 LYS 5 HE2 LYS 5 23.383 10.723 11.754 585 HE3 LYS 5 HE3 LYS 5 24.584 9.438 11.671 586 HZ1 LYS 5 HZ1 LYS 5 22.085 9.535 10.076 587 HZ2 LYS 5 HZ2 LYS 5 23.600 9.709 9.531 588 HZ3 LYS 5 HZ3 LYS 5 23.124 8.266 10.105 589 H VAL 6 H VAL 6 19.115 9.316 16.880 590 HA VAL 6 HA VAL 6 18.400 12.207 16.550 591 HB VAL 6 HB VAL 6 17.904 10.253 18.796 592 HG11 VAL 6 HG11 VAL 6 16.799 12.117 20.029 593 HG12 VAL 6 HG12 VAL 6 18.552 12.291 19.949 594 HG13 VAL 6 HG13 VAL 6 17.507 13.266 18.882 595 HG21 VAL 6 HG21 VAL 6 15.604 10.702 18.437 596 HG22 VAL 6 HG22 VAL 6 15.943 12.060 17.357 597 HG23 VAL 6 HG23 VAL 6 16.296 10.410 16.829 598 H VAL 7 H VAL 7 19.603 13.803 17.433 599 HA VAL 7 HA VAL 7 21.887 13.144 19.205 600 HB VAL 7 HB VAL 7 22.827 13.252 16.968 601 HG11 VAL 7 HG11 VAL 7 22.904 15.336 15.677 602 HG12 VAL 7 HG12 VAL 7 21.239 14.804 15.880 603 HG13 VAL 7 HG13 VAL 7 21.861 16.143 16.863 604 HG21 VAL 7 HG21 VAL 7 24.127 14.082 18.957 605 HG22 VAL 7 HG22 VAL 7 24.644 14.736 17.401 606 HG23 VAL 7 HG23 VAL 7 23.670 15.739 18.501 607 H LEU 8 H LEU 8 22.444 14.643 20.706 608 HA LEU 8 HA LEU 8 21.097 17.256 20.870 609 HB2 LEU 8 HB2 LEU 8 19.974 16.807 22.956 610 HB3 LEU 8 HB3 LEU 8 19.449 15.675 21.728 611 HG LEU 8 HG LEU 8 21.379 14.142 22.850 612 HD11 LEU 8 HD11 LEU 8 21.247 14.360 25.327 613 HD12 LEU 8 HD12 LEU 8 22.024 15.764 24.605 614 HD13 LEU 8 HD13 LEU 8 20.338 15.861 25.143 615 HD21 LEU 8 HD21 LEU 8 19.009 13.535 22.535 616 HD22 LEU 8 HD22 LEU 8 19.630 13.036 24.112 617 HD23 LEU 8 HD23 LEU 8 18.573 14.460 23.980 618 H THR 9 H THR 9 21.862 18.600 22.534 619 HA THR 9 HA THR 9 24.448 17.821 23.834 620 HB THR 9 HB THR 9 23.548 20.662 23.230 621 HG1 THR 9 HG1 THR 9 23.963 19.626 21.302 622 HG21 THR 9 HG21 THR 9 26.252 19.468 24.016 623 HG22 THR 9 HG22 THR 9 25.938 21.173 23.631 624 HG23 THR 9 HG23 THR 9 25.199 20.456 25.057 625 H LYS 10 H LYS 10 24.485 17.811 25.973 626 HA LYS 10 HA LYS 10 22.035 18.300 27.532 627 HB2 LYS 10 HB2 LYS 10 24.775 17.242 28.332 628 HB3 LYS 10 HB3 LYS 10 23.350 17.286 29.369 629 HG2 LYS 10 HG2 LYS 10 22.142 15.839 27.683 630 HG3 LYS 10 HG3 LYS 10 23.669 15.642 26.820 631 HD2 LYS 10 HD2 LYS 10 23.178 14.863 29.730 632 HD3 LYS 10 HD3 LYS 10 23.139 13.751 28.351 633 HE2 LYS 10 HE2 LYS 10 25.518 14.287 27.850 634 HE3 LYS 10 HE3 LYS 10 25.567 15.381 29.250 635 HZ1 LYS 10 HZ1 LYS 10 25.027 12.460 29.410 636 HZ2 LYS 10 HZ2 LYS 10 26.438 13.188 29.814 637 HZ3 LYS 10 HZ3 LYS 10 25.091 13.480 30.684 638 H ALA 11 H ALA 11 22.074 19.479 29.575 639 HA ALA 11 HA ALA 11 23.082 22.129 29.419 640 HB1 ALA 11 HB1 ALA 11 22.277 22.300 31.739 641 HB2 ALA 11 HB2 ALA 11 21.095 21.454 30.717 642 HB3 ALA 11 HB3 ALA 11 22.128 20.535 31.835 643 H ASP 12 H ASP 12 24.594 19.226 30.699 644 HA ASP 12 HA ASP 12 26.781 20.540 32.098 645 HB2 ASP 12 HB2 ASP 12 26.489 17.695 31.057 646 HB3 ASP 12 HB3 ASP 12 27.747 18.258 32.146 647 H GLY 13 H GLY 13 26.163 20.456 28.797 648 HA2 GLY 13 HA2 GLY 13 27.475 21.207 27.046 649 HA3 GLY 13 HA3 GLY 13 28.917 21.116 28.048 650 H GLY 14 H GLY 14 27.574 18.130 28.432 651 HA2 GLY 14 HA2 GLY 14 29.256 16.766 26.450 652 HA3 GLY 14 HA3 GLY 14 28.190 16.018 27.636 653 H ARG 15 H ARG 15 28.271 14.993 25.127 654 HA ARG 15 HA ARG 15 25.604 15.717 23.954 655 HB2 ARG 15 HB2 ARG 15 28.213 15.233 22.474 656 HB3 ARG 15 HB3 ARG 15 26.627 15.055 21.704 657 HG2 ARG 15 HG2 ARG 15 26.025 17.344 22.316 658 HG3 ARG 15 HG3 ARG 15 27.610 17.599 23.064 659 HD2 ARG 15 HD2 ARG 15 28.727 17.393 20.939 660 HD3 ARG 15 HD3 ARG 15 27.222 16.862 20.143 661 HE ARG 15 HE ARG 15 26.413 19.221 21.137 662 HH11 ARG 15 HH11 ARG 15 29.261 18.571 19.183 663 HH12 ARG 15 HH12 ARG 15 29.241 20.179 18.497 664 HH21 ARG 15 HH21 ARG 15 26.462 21.184 20.257 665 HH22 ARG 15 HH22 ARG 15 27.691 21.627 19.094 666 H VAL 16 H VAL 16 24.457 14.155 22.909 667 HA VAL 16 HA VAL 16 25.122 11.304 23.482 668 HB VAL 16 HB VAL 16 22.476 12.636 24.174 669 HG11 VAL 16 HG11 VAL 16 21.839 10.454 25.131 670 HG12 VAL 16 HG12 VAL 16 22.066 10.348 23.387 671 HG13 VAL 16 HG13 VAL 16 23.322 9.738 24.479 672 HG21 VAL 16 HG21 VAL 16 22.977 11.996 26.504 673 HG22 VAL 16 HG22 VAL 16 24.582 11.433 25.995 674 HG23 VAL 16 HG23 VAL 16 24.139 13.161 25.878 675 H GLU 17 H GLU 17 24.451 9.879 21.981 676 HA GLU 17 HA GLU 17 22.778 10.790 19.695 677 HB2 GLU 17 HB2 GLU 17 25.369 9.206 19.537 678 HB3 GLU 17 HB3 GLU 17 24.214 9.406 18.206 679 HG2 GLU 17 HG2 GLU 17 24.561 11.805 18.167 680 HG3 GLU 17 HG3 GLU 17 25.595 11.739 19.587 681 H ILE 18 H ILE 18 21.427 9.249 18.812 682 HA ILE 18 HA ILE 18 21.255 6.558 20.117 683 HB ILE 18 HB ILE 18 18.870 8.343 19.530 684 HG12 ILE 18 HG12 ILE 18 19.995 7.759 22.301 685 HG13 ILE 18 HG13 ILE 18 20.237 9.273 21.440 686 HG21 ILE 18 HG21 ILE 18 17.581 6.660 20.749 687 HG22 ILE 18 HG22 ILE 18 18.439 5.893 19.428 688 HG23 ILE 18 HG23 ILE 18 19.056 5.733 21.089 689 HD11 ILE 18 HD11 ILE 18 17.788 9.623 21.300 690 HD12 ILE 18 HD12 ILE 18 17.562 8.210 22.383 691 HD13 ILE 18 HD13 ILE 18 18.460 9.634 22.937 692 H GLY 19 H GLY 19 21.303 5.011 18.611 693 HA2 GLY 19 HA2 GLY 19 20.739 5.599 15.754 694 HA3 GLY 19 HA3 GLY 19 21.578 4.190 16.393 695 H ASP 20 H ASP 20 19.570 4.032 14.457 696 HA ASP 20 HA ASP 20 17.580 3.102 13.859 697 HB2 ASP 20 HB2 ASP 20 17.999 1.198 16.160 698 HB3 ASP 20 HB3 ASP 20 17.143 0.941 14.645 699 H VAL 21 H VAL 21 17.012 5.392 15.046 700 HA VAL 21 HA VAL 21 15.035 5.125 17.192 701 HB VAL 21 HB VAL 21 15.856 7.476 15.471 702 HG11 VAL 21 HG11 VAL 21 13.806 7.279 17.698 703 HG12 VAL 21 HG12 VAL 21 14.551 8.803 17.152 704 HG13 VAL 21 HG13 VAL 21 13.545 7.878 16.050 705 HG21 VAL 21 HG21 VAL 21 16.849 8.253 17.599 706 HG22 VAL 21 HG22 VAL 21 16.285 6.797 18.417 707 HG23 VAL 21 HG23 VAL 21 17.519 6.689 17.145 708 H LEU 22 H LEU 22 13.069 4.481 16.984 709 HA LEU 22 HA LEU 22 11.849 4.275 14.309 710 HB2 LEU 22 HB2 LEU 22 12.271 2.290 15.774 711 HB3 LEU 22 HB3 LEU 22 11.119 2.934 16.937 712 HG LEU 22 HG LEU 22 9.298 2.692 15.279 713 HD11 LEU 22 HD11 LEU 22 10.467 2.992 13.147 714 HD12 LEU 22 HD12 LEU 22 11.465 1.552 13.444 715 HD13 LEU 22 HD13 LEU 22 9.721 1.395 13.178 716 HD21 LEU 22 HD21 LEU 22 9.867 0.810 16.780 717 HD22 LEU 22 HD22 LEU 22 9.236 0.245 15.230 718 HD23 LEU 22 HD23 LEU 22 10.982 0.169 15.551 719 H GLU 23 H GLU 23 11.443 6.031 17.364 720 HA GLU 23 HA GLU 23 9.435 7.714 16.064 721 HB2 GLU 23 HB2 GLU 23 8.049 5.909 16.913 722 HB3 GLU 23 HB3 GLU 23 8.696 6.116 18.539 723 HG2 GLU 23 HG2 GLU 23 7.636 8.274 18.785 724 HG3 GLU 23 HG3 GLU 23 7.202 8.313 17.072 725 H VAL 24 H VAL 24 9.248 9.755 16.945 726 HA VAL 24 HA VAL 24 10.648 10.413 19.485 727 HB VAL 24 HB VAL 24 10.895 12.096 16.962 728 HG11 VAL 24 HG11 VAL 24 12.240 12.370 19.685 729 HG12 VAL 24 HG12 VAL 24 12.576 13.363 18.266 730 HG13 VAL 24 HG13 VAL 24 10.996 13.441 19.029 731 HG21 VAL 24 HG21 VAL 24 12.949 10.302 18.295 732 HG22 VAL 24 HG22 VAL 24 12.296 10.132 16.647 733 HG23 VAL 24 HG23 VAL 24 13.323 11.509 17.051 734 H ARG 25 H ARG 25 9.622 11.976 20.712 735 HA ARG 25 HA ARG 25 7.268 13.442 19.591 736 HB2 ARG 25 HB2 ARG 25 7.253 11.906 22.236 737 HB3 ARG 25 HB3 ARG 25 5.969 12.959 21.640 738 HG2 ARG 25 HG2 ARG 25 5.621 11.427 19.695 739 HG3 ARG 25 HG3 ARG 25 6.874 10.349 20.351 740 HD2 ARG 25 HD2 ARG 25 5.542 10.142 22.458 741 HD3 ARG 25 HD3 ARG 25 4.251 11.108 21.709 742 HE ARG 25 HE ARG 25 4.915 8.915 19.987 743 HH11 ARG 25 HH11 ARG 25 3.279 9.364 23.064 744 HH12 ARG 25 HH12 ARG 25 2.375 7.884 22.877 745 HH21 ARG 25 HH21 ARG 25 3.814 7.170 19.807 746 HH22 ARG 25 HH22 ARG 25 2.635 6.650 21.021 747 H ALA 26 H ALA 26 6.900 15.465 20.478 748 HA ALA 26 HA ALA 26 8.696 16.396 22.682 749 HB1 ALA 26 HB1 ALA 26 9.037 18.486 21.467 750 HB2 ALA 26 HB2 ALA 26 9.612 17.097 20.516 751 HB3 ALA 26 HB3 ALA 26 8.072 17.877 20.098 752 H GLU 27 H GLU 27 7.614 17.269 24.317 753 HA GLU 27 HA GLU 27 5.157 18.832 23.991 754 HB2 GLU 27 HB2 GLU 27 4.176 16.665 23.828 755 HB3 GLU 27 HB3 GLU 27 5.083 16.026 25.167 756 HG2 GLU 27 HG2 GLU 27 3.095 18.300 25.490 757 HG3 GLU 27 HG3 GLU 27 2.575 16.623 25.448 758 H GLY 28 H GLY 28 4.809 20.210 25.728 759 HA2 GLY 28 HA2 GLY 28 5.109 21.278 27.730 760 HA3 GLY 28 HA3 GLY 28 5.390 19.671 28.402 761 H GLY 29 H GLY 29 7.652 20.941 26.033 762 HA2 GLY 29 HA2 GLY 29 9.828 21.722 26.224 763 HA3 GLY 29 HA3 GLY 29 9.607 21.961 27.959 764 H ALA 30 H ALA 30 8.904 18.779 26.626 765 HA ALA 30 HA ALA 30 11.642 17.790 27.217 766 HB1 ALA 30 HB1 ALA 30 9.073 16.561 28.323 767 HB2 ALA 30 HB2 ALA 30 10.716 15.911 28.513 768 HB3 ALA 30 HB3 ALA 30 10.275 17.460 29.268 769 H VAL 31 H VAL 31 12.398 16.274 25.881 770 HA VAL 31 HA VAL 31 10.593 15.313 23.696 771 HB VAL 31 HB VAL 31 13.603 15.620 23.717 772 HG11 VAL 31 HG11 VAL 31 11.740 14.506 21.566 773 HG12 VAL 31 HG12 VAL 31 13.403 15.001 21.283 774 HG13 VAL 31 HG13 VAL 31 13.084 13.650 22.354 775 HG21 VAL 31 HG21 VAL 31 13.107 17.272 21.937 776 HG22 VAL 31 HG22 VAL 31 11.359 16.987 22.156 777 HG23 VAL 31 HG23 VAL 31 12.314 17.720 23.446 778 H ARG 32 H ARG 32 10.319 13.227 23.257 779 HA ARG 32 HA ARG 32 11.646 11.145 24.962 780 HB2 ARG 32 HB2 ARG 32 8.761 11.206 23.988 781 HB3 ARG 32 HB3 ARG 32 9.561 9.820 24.714 782 HG2 ARG 32 HG2 ARG 32 8.231 10.774 26.381 783 HG3 ARG 32 HG3 ARG 32 9.891 11.132 26.825 784 HD2 ARG 32 HD2 ARG 32 9.628 13.448 26.377 785 HD3 ARG 32 HD3 ARG 32 8.245 13.164 25.301 786 HE ARG 32 HE ARG 32 7.662 12.325 27.998 787 HH11 ARG 32 HH11 ARG 32 7.913 15.327 26.143 788 HH12 ARG 32 HH12 ARG 32 6.505 15.980 26.962 789 HH21 ARG 32 HH21 ARG 32 5.915 13.363 28.991 790 HH22 ARG 32 HH22 ARG 32 5.450 14.952 28.378 791 H VAL 33 H VAL 33 12.212 9.256 23.957 792 HA VAL 33 HA VAL 33 11.949 9.030 20.975 793 HB VAL 33 HB VAL 33 14.536 8.531 22.454 794 HG11 VAL 33 HG11 VAL 33 14.379 7.208 20.449 795 HG12 VAL 33 HG12 VAL 33 13.889 8.640 19.518 796 HG13 VAL 33 HG13 VAL 33 15.528 8.522 20.190 797 HG21 VAL 33 HG21 VAL 33 14.174 10.967 22.484 798 HG22 VAL 33 HG22 VAL 33 15.440 10.557 21.329 799 HG23 VAL 33 HG23 VAL 33 13.802 10.940 20.738 800 H THR 34 H THR 34 11.675 6.982 20.225 801 HA THR 34 HA THR 34 12.047 4.665 22.093 802 HB THR 34 HB THR 34 9.853 4.884 20.007 803 HG1 THR 34 HG1 THR 34 9.429 6.175 21.818 804 HG21 THR 34 HG21 THR 34 8.993 2.842 21.157 805 HG22 THR 34 HG22 THR 34 10.533 2.560 20.338 806 HG23 THR 34 HG23 THR 34 10.505 2.770 22.106 807 H THR 35 H THR 35 13.394 3.175 21.382 808 HA THR 35 HA THR 35 14.562 3.363 18.672 809 HB THR 35 HB THR 35 16.214 1.797 19.440 810 HG1 THR 35 HG1 THR 35 14.890 1.788 21.926 811 HG21 THR 35 HG21 THR 35 17.270 3.032 21.240 812 HG22 THR 35 HG22 THR 35 16.573 4.155 20.055 813 HG23 THR 35 HG23 THR 35 15.753 3.875 21.619 814 H LEU 36 H LEU 36 14.997 1.458 17.412 815 HA LEU 36 HA LEU 36 13.048 -0.372 16.673 816 HB2 LEU 36 HB2 LEU 36 15.203 0.099 15.557 817 HB3 LEU 36 HB3 LEU 36 16.083 -0.635 16.885 818 HG LEU 36 HG LEU 36 15.087 -2.864 16.320 819 HD11 LEU 36 HD11 LEU 36 14.006 -3.090 14.103 820 HD12 LEU 36 HD12 LEU 36 13.033 -2.073 15.170 821 HD13 LEU 36 HD13 LEU 36 14.034 -1.320 13.910 822 HD21 LEU 36 HD21 LEU 36 16.544 -1.454 14.053 823 HD22 LEU 36 HD22 LEU 36 17.293 -2.200 15.487 824 HD23 LEU 36 HD23 LEU 36 16.436 -3.218 14.315 825 H PHE 37 H PHE 37 15.251 -0.600 19.431 826 HA PHE 37 HA PHE 37 14.687 -3.405 20.012 827 HB2 PHE 37 HB2 PHE 37 16.235 -1.401 21.680 828 HB3 PHE 37 HB3 PHE 37 16.380 -3.158 21.683 829 HD1 PHE 37 HD1 PHE 37 17.649 -0.090 20.295 830 HD2 PHE 37 HD2 PHE 37 17.166 -4.287 19.431 831 HE1 PHE 37 HE1 PHE 37 19.346 0.081 18.495 832 HE2 PHE 37 HE2 PHE 37 18.855 -4.106 17.617 833 HZ PHE 37 HZ PHE 37 19.961 -1.926 17.158 834 H ASP 38 H ASP 38 12.733 -0.865 20.460 835 HA ASP 38 HA ASP 38 11.082 -0.228 21.788 836 HB2 ASP 38 HB2 ASP 38 11.135 -2.896 23.213 837 HB3 ASP 38 HB3 ASP 38 9.795 -1.761 23.071 838 H GLU 39 H GLU 39 14.046 -0.156 22.777 839 HA GLU 39 HA GLU 39 13.713 0.495 25.618 840 HB2 GLU 39 HB2 GLU 39 15.864 -0.345 24.707 841 HB3 GLU 39 HB3 GLU 39 15.997 1.107 23.710 842 HG2 GLU 39 HG2 GLU 39 16.004 2.512 25.773 843 HG3 GLU 39 HG3 GLU 39 15.928 1.037 26.756 844 H GLU 40 H GLU 40 13.258 2.465 26.456 845 HA GLU 40 HA GLU 40 12.629 4.707 24.591 846 HB2 GLU 40 HB2 GLU 40 11.410 3.981 27.271 847 HB3 GLU 40 HB3 GLU 40 11.095 5.476 26.368 848 HG2 GLU 40 HG2 GLU 40 10.167 4.206 24.485 849 HG3 GLU 40 HG3 GLU 40 10.567 2.682 25.277 850 H HIS 41 H HIS 41 13.197 6.755 25.058 851 HA HIS 41 HA HIS 41 14.943 7.352 27.412 852 HB2 HIS 41 HB2 HIS 41 15.550 8.028 24.506 853 HB3 HIS 41 HB3 HIS 41 16.412 8.673 25.910 854 HD2 HIS 41 HD2 HIS 41 16.189 5.531 23.737 855 HE1 HIS 41 HE1 HIS 41 19.087 4.685 26.759 856 HE2 HIS 41 HE2 HIS 41 18.033 3.831 24.619 857 H ALA 42 H ALA 42 14.958 9.545 28.058 858 HA ALA 42 HA ALA 42 13.026 11.397 26.820 859 HB1 ALA 42 HB1 ALA 42 11.684 10.110 28.441 860 HB2 ALA 42 HB2 ALA 42 12.842 10.508 29.733 861 HB3 ALA 42 HB3 ALA 42 11.882 11.792 28.965 862 H PHE 43 H PHE 43 13.482 13.477 27.062 863 HA PHE 43 HA PHE 43 15.899 14.330 28.609 864 HB2 PHE 43 HB2 PHE 43 15.352 14.878 25.683 865 HB3 PHE 43 HB3 PHE 43 16.753 15.405 26.623 866 HD1 PHE 43 HD1 PHE 43 18.355 13.669 27.545 867 HD2 PHE 43 HD2 PHE 43 15.319 12.724 24.632 868 HE1 PHE 43 HE1 PHE 43 19.536 11.555 26.997 869 HE2 PHE 43 HE2 PHE 43 16.490 10.610 24.093 870 HZ PHE 43 HZ PHE 43 18.617 10.016 25.273 871 HA PRO 44 HA PRO 44 12.660 17.556 29.233 872 HB2 PRO 44 HB2 PRO 44 13.290 18.184 31.828 873 HB3 PRO 44 HB3 PRO 44 12.225 16.820 31.377 874 HG2 PRO 44 HG2 PRO 44 15.186 16.733 32.027 875 HG3 PRO 44 HG3 PRO 44 13.891 15.649 32.633 876 HD2 PRO 44 HD2 PRO 44 15.502 14.953 30.575 877 HD3 PRO 44 HD3 PRO 44 13.778 14.480 30.614 878 H GLY 45 H GLY 45 12.904 19.715 29.050 879 HA2 GLY 45 HA2 GLY 45 13.963 21.812 29.046 880 HA3 GLY 45 HA3 GLY 45 15.542 21.055 29.322 881 H LEU 46 H LEU 46 13.894 19.385 26.857 882 HA LEU 46 HA LEU 46 15.266 20.949 24.718 883 HB2 LEU 46 HB2 LEU 46 14.765 17.951 24.806 884 HB3 LEU 46 HB3 LEU 46 15.509 18.841 23.491 885 HG LEU 46 HG LEU 46 16.679 18.381 26.266 886 HD11 LEU 46 HD11 LEU 46 17.666 17.584 23.498 887 HD12 LEU 46 HD12 LEU 46 18.336 17.091 25.063 888 HD13 LEU 46 HD13 LEU 46 16.736 16.515 24.549 889 HD21 LEU 46 HD21 LEU 46 17.394 20.619 25.542 890 HD22 LEU 46 HD22 LEU 46 18.728 19.481 25.382 891 HD23 LEU 46 HD23 LEU 46 17.832 19.983 23.932 892 H ALA 47 H ALA 47 14.435 20.790 22.620 893 HA ALA 47 HA ALA 47 11.741 19.716 22.115 894 HB1 ALA 47 HB1 ALA 47 12.519 22.592 21.444 895 HB2 ALA 47 HB2 ALA 47 11.038 21.761 20.915 896 HB3 ALA 47 HB3 ALA 47 11.298 22.084 22.629 897 H ILE 48 H ILE 48 11.418 19.395 19.731 898 HA ILE 48 HA ILE 48 13.890 18.558 18.382 899 HB ILE 48 HB ILE 48 11.054 18.739 17.314 900 HG12 ILE 48 HG12 ILE 48 12.473 16.151 18.016 901 HG13 ILE 48 HG13 ILE 48 11.624 17.048 19.265 902 HG21 ILE 48 HG21 ILE 48 11.906 17.208 15.510 903 HG22 ILE 48 HG22 ILE 48 12.708 18.771 15.471 904 HG23 ILE 48 HG23 ILE 48 13.540 17.374 16.176 905 HD11 ILE 48 HD11 ILE 48 10.392 15.935 16.710 906 HD12 ILE 48 HD12 ILE 48 10.099 15.408 18.378 907 HD13 ILE 48 HD13 ILE 48 9.544 17.001 17.856 908 H GLY 49 H GLY 49 15.221 19.881 17.282 909 HA2 GLY 49 HA2 GLY 49 14.370 22.661 16.649 910 HA3 GLY 49 HA3 GLY 49 16.014 22.022 16.706 911 H ARG 50 H ARG 50 15.895 19.829 15.039 912 HA ARG 50 HA ARG 50 15.002 20.760 12.372 913 HB2 ARG 50 HB2 ARG 50 17.213 21.843 12.961 914 HB3 ARG 50 HB3 ARG 50 17.944 20.249 13.015 915 HG2 ARG 50 HG2 ARG 50 17.465 19.921 10.614 916 HG3 ARG 50 HG3 ARG 50 16.563 21.433 10.568 917 HD2 ARG 50 HD2 ARG 50 18.610 22.166 9.757 918 HD3 ARG 50 HD3 ARG 50 18.801 22.524 11.455 919 HE ARG 50 HE ARG 50 20.295 20.678 11.698 920 HH11 ARG 50 HH11 ARG 50 19.319 21.008 8.304 921 HH12 ARG 50 HH12 ARG 50 20.371 19.676 7.837 922 HH21 ARG 50 HH21 ARG 50 21.742 19.156 10.906 923 HH22 ARG 50 HH22 ARG 50 21.784 18.831 9.186 924 H VAL 51 H VAL 51 14.889 19.219 10.820 925 HA VAL 51 HA VAL 51 15.801 16.445 11.433 926 HB VAL 51 HB VAL 51 13.151 17.069 10.085 927 HG11 VAL 51 HG11 VAL 51 14.197 14.976 9.329 928 HG12 VAL 51 HG12 VAL 51 14.423 14.454 11.005 929 HG13 VAL 51 HG13 VAL 51 12.785 14.628 10.336 930 HG21 VAL 51 HG21 VAL 51 12.101 16.052 12.119 931 HG22 VAL 51 HG22 VAL 51 13.684 16.082 12.928 932 HG23 VAL 51 HG23 VAL 51 12.880 17.595 12.450 933 H ASP 52 H ASP 52 16.987 15.603 9.798 934 HA ASP 52 HA ASP 52 17.012 16.965 7.126 935 HB2 ASP 52 HB2 ASP 52 18.780 17.822 8.704 936 HB3 ASP 52 HB3 ASP 52 19.478 16.206 8.739 937 H LEU 53 H LEU 53 16.211 15.494 5.871 938 HA LEU 53 HA LEU 53 16.426 12.640 6.436 939 HB2 LEU 53 HB2 LEU 53 14.960 14.147 4.230 940 HB3 LEU 53 HB3 LEU 53 14.815 12.435 4.593 941 HG LEU 53 HG LEU 53 12.926 13.414 5.468 942 HD11 LEU 53 HD11 LEU 53 13.952 11.783 6.978 943 HD12 LEU 53 HD12 LEU 53 14.744 13.100 7.877 944 HD13 LEU 53 HD13 LEU 53 12.982 12.974 7.859 945 HD21 LEU 53 HD21 LEU 53 13.591 15.783 5.514 946 HD22 LEU 53 HD22 LEU 53 12.687 15.272 6.949 947 HD23 LEU 53 HD23 LEU 53 14.431 15.515 7.053 948 H ARG 54 H ARG 54 18.340 14.739 4.628 949 HA ARG 54 HA ARG 54 19.275 12.915 2.542 950 HB2 ARG 54 HB2 ARG 54 20.592 15.333 3.857 951 HB3 ARG 54 HB3 ARG 54 21.150 14.551 2.383 952 HG2 ARG 54 HG2 ARG 54 19.235 15.210 1.123 953 HG3 ARG 54 HG3 ARG 54 18.341 15.740 2.553 954 HD2 ARG 54 HD2 ARG 54 20.900 17.056 1.589 955 HD3 ARG 54 HD3 ARG 54 19.270 17.610 1.198 956 HE ARG 54 HE ARG 54 19.948 17.288 4.081 957 HH11 ARG 54 HH11 ARG 54 19.159 19.600 1.522 958 HH12 ARG 54 HH12 ARG 54 18.970 20.875 2.699 959 HH21 ARG 54 HH21 ARG 54 19.946 19.003 5.382 960 HH22 ARG 54 HH22 ARG 54 19.286 20.538 4.794 961 H SER 55 H SER 55 19.932 13.318 5.920 962 HA SER 55 HA SER 55 21.941 11.101 5.875 963 HB2 SER 55 HB2 SER 55 21.919 13.518 7.717 964 HB3 SER 55 HB3 SER 55 23.078 12.175 7.755 965 HG SER 55 HG SER 55 23.907 13.948 6.604 966 H GLY 56 H GLY 56 18.837 11.773 6.828 967 HA2 GLY 56 HA2 GLY 56 17.358 10.707 8.217 968 HA3 GLY 56 HA3 GLY 56 18.588 9.497 8.585 969 H VAL 57 H VAL 57 19.082 12.965 9.248 970 HA VAL 57 HA VAL 57 19.566 12.241 12.094 971 HB VAL 57 HB VAL 57 20.393 14.643 10.444 972 HG11 VAL 57 HG11 VAL 57 21.768 15.314 12.412 973 HG12 VAL 57 HG12 VAL 57 20.045 15.462 12.719 974 HG13 VAL 57 HG13 VAL 57 20.947 14.081 13.386 975 HG21 VAL 57 HG21 VAL 57 21.997 12.418 11.782 976 HG22 VAL 57 HG22 VAL 57 21.671 12.534 10.049 977 HG23 VAL 57 HG23 VAL 57 22.670 13.758 10.836 978 H ILE 58 H ILE 58 18.407 12.896 13.738 979 HA ILE 58 HA ILE 58 16.469 15.170 13.473 980 HB ILE 58 HB ILE 58 16.371 12.660 15.171 981 HG12 ILE 58 HG12 ILE 58 14.315 13.830 13.242 982 HG13 ILE 58 HG13 ILE 58 15.479 12.575 12.823 983 HG21 ILE 58 HG21 ILE 58 14.649 15.163 15.450 984 HG22 ILE 58 HG22 ILE 58 14.336 13.618 16.260 985 HG23 ILE 58 HG23 ILE 58 15.786 14.509 16.661 986 HD11 ILE 58 HD11 ILE 58 14.481 11.145 14.654 987 HD12 ILE 58 HD12 ILE 58 13.177 12.344 14.782 988 HD13 ILE 58 HD13 ILE 58 13.437 11.465 13.257 989 H SER 59 H SER 59 17.173 16.950 14.502 990 HA SER 59 HA SER 59 19.314 16.697 16.594 991 HB2 SER 59 HB2 SER 59 20.071 17.711 14.492 992 HB3 SER 59 HB3 SER 59 18.792 18.941 14.628 993 HG SER 59 HG SER 59 20.844 19.635 15.444 994 H LEU 60 H LEU 60 18.788 17.272 18.561 995 HA LEU 60 HA LEU 60 16.321 18.836 19.073 996 HB2 LEU 60 HB2 LEU 60 18.084 17.417 21.074 997 HB3 LEU 60 HB3 LEU 60 16.465 18.031 21.326 998 HG LEU 60 HG LEU 60 17.280 15.631 19.630 999 HD11 LEU 60 HD11 LEU 60 17.192 15.268 22.071 1000 HD12 LEU 60 HD12 LEU 60 15.545 15.903 22.125 1001 HD13 LEU 60 HD13 LEU 60 15.891 14.390 21.255 1002 HD21 LEU 60 HD21 LEU 60 14.830 15.270 19.270 1003 HD22 LEU 60 HD22 LEU 60 14.507 16.858 19.993 1004 HD23 LEU 60 HD23 LEU 60 15.412 16.728 18.467 1005 H ILE 61 H ILE 61 16.238 20.608 20.416 1006 HA ILE 61 HA ILE 61 18.764 22.080 21.026 1007 HB ILE 61 HB ILE 61 17.736 24.178 20.265 1008 HG12 ILE 61 HG12 ILE 61 15.916 23.927 18.439 1009 HG13 ILE 61 HG13 ILE 61 15.486 22.421 19.228 1010 HG21 ILE 61 HG21 ILE 61 19.327 22.903 18.867 1011 HG22 ILE 61 HG22 ILE 61 17.969 22.108 18.058 1012 HG23 ILE 61 HG23 ILE 61 18.181 23.861 17.909 1013 HD11 ILE 61 HD11 ILE 61 14.076 24.357 19.889 1014 HD12 ILE 61 HD12 ILE 61 14.902 23.697 21.289 1015 HD13 ILE 61 HD13 ILE 61 15.508 25.196 20.536 1016 H GLU 62 H GLU 62 18.508 23.778 22.654 1017 HA GLU 62 HA GLU 62 16.924 22.842 24.896 1018 HB2 GLU 62 HB2 GLU 62 18.584 25.354 24.514 1019 HB3 GLU 62 HB3 GLU 62 17.801 24.878 26.032 1020 HG2 GLU 62 HG2 GLU 62 19.067 22.741 26.044 1021 HG3 GLU 62 HG3 GLU 62 19.909 23.239 24.575 1022 H GLU 63 H GLU 63 14.942 23.408 25.571 1023 HA GLU 63 HA GLU 63 13.280 24.969 23.788 1024 HB2 GLU 63 HB2 GLU 63 11.439 24.200 25.092 1025 HB3 GLU 63 HB3 GLU 63 12.579 22.898 24.892 1026 HG2 GLU 63 HG2 GLU 63 12.198 22.561 27.074 1027 HG3 GLU 63 HG3 GLU 63 13.498 23.729 27.264 1028 H GLN 64 H GLN 64 15.071 25.867 26.562 1029 HA GLN 64 HA GLN 64 14.125 28.635 26.304 1030 HB2 GLN 64 HB2 GLN 64 14.048 27.072 28.909 1031 HB3 GLN 64 HB3 GLN 64 14.269 28.814 28.904 1032 HG2 GLN 64 HG2 GLN 64 11.879 27.394 27.691 1033 HG3 GLN 64 HG3 GLN 64 11.915 28.140 29.277 1034 HE21 GLN 64 HE21 GLN 64 9.960 29.008 27.582 1035 HE22 GLN 64 HE22 GLN 64 10.348 30.621 27.003 1036 H ASN 65 H ASN 65 15.565 30.188 27.016 1037 HA ASN 65 HA ASN 65 18.386 29.308 27.531 1038 HB2 ASN 65 HB2 ASN 65 17.417 31.662 25.859 1039 HB3 ASN 65 HB3 ASN 65 19.100 31.278 26.202 1040 HD21 ASN 65 HD21 ASN 65 16.536 30.743 23.996 1041 HD22 ASN 65 HD22 ASN 65 17.309 29.431 23.113 1042 H ARG 66 H ARG 66 16.092 30.179 29.341 1043 HA ARG 66 HA ARG 66 16.766 32.709 30.559 1044 HB2 ARG 66 HB2 ARG 66 15.119 30.335 31.540 1045 HB3 ARG 66 HB3 ARG 66 15.237 31.877 32.384 1046 HG2 ARG 66 HG2 ARG 66 14.227 33.066 30.459 1047 HG3 ARG 66 HG3 ARG 66 14.185 31.552 29.541 1048 HD2 ARG 66 HD2 ARG 66 11.985 31.946 30.389 1049 HD3 ARG 66 HD3 ARG 66 12.681 30.554 31.236 1050 HE ARG 66 HE ARG 66 13.119 33.063 32.652 1051 HH11 ARG 66 HH11 ARG 66 10.673 30.612 32.168 1052 HH12 ARG 66 HH12 ARG 66 9.897 30.958 33.693 1053 HH21 ARG 66 HH21 ARG 66 12.082 33.468 34.561 1054 HH22 ARG 66 HH22 ARG 66 10.686 32.538 35.007 Start of MODEL 15 1 H1 GLY -3 H1 GLY -3 24.445 8.297 -2.621 2 H2 GLY -3 H2 GLY -3 25.081 7.360 -1.444 3 H3 GLY -3 H3 GLY -3 25.406 8.960 -1.465 4 HA2 GLY -3 HA2 GLY -3 23.801 8.483 0.248 5 HA3 GLY -3 HA3 GLY -3 23.105 9.498 -1.030 6 HA PRO -2 HA PRO -2 20.226 5.902 -0.472 7 HB2 PRO -2 HB2 PRO -2 17.882 7.310 -0.517 8 HB3 PRO -2 HB3 PRO -2 18.885 7.127 0.950 9 HG2 PRO -2 HG2 PRO -2 18.837 9.449 -0.997 10 HG3 PRO -2 HG3 PRO -2 18.739 9.485 0.798 11 HD2 PRO -2 HD2 PRO -2 21.075 9.891 -0.551 12 HD3 PRO -2 HD3 PRO -2 21.043 9.024 1.014 13 H GLY -1 H GLY -1 18.905 4.884 -2.006 14 HA2 GLY -1 HA2 GLY -1 19.214 5.640 -4.815 15 HA3 GLY -1 HA3 GLY -1 18.437 4.208 -4.165 16 H SER 0 H SER 0 16.638 4.275 -5.442 17 HA SER 0 HA SER 0 14.910 6.523 -5.872 18 HB2 SER 0 HB2 SER 0 15.027 4.512 -7.305 19 HB3 SER 0 HB3 SER 0 14.287 3.554 -6.013 20 HG SER 0 HG SER 0 12.773 4.334 -7.607 21 H MET 1 H MET 1 12.677 6.734 -5.121 22 HA MET 1 HA MET 1 11.290 7.361 -3.435 23 HB2 MET 1 HB2 MET 1 11.874 4.653 -2.220 24 HB3 MET 1 HB3 MET 1 10.513 5.713 -1.839 25 HG2 MET 1 HG2 MET 1 9.799 5.606 -4.233 26 HG3 MET 1 HG3 MET 1 11.053 4.410 -4.535 27 HE1 MET 1 HE1 MET 1 11.044 1.964 -3.665 28 HE2 MET 1 HE2 MET 1 10.993 2.481 -1.968 29 HE3 MET 1 HE3 MET 1 9.842 1.268 -2.563 30 H CYS 2 H CYS 2 12.148 6.091 -0.586 31 HA CYS 2 HA CYS 2 12.909 6.977 1.342 32 HB2 CYS 2 HB2 CYS 2 15.166 8.078 -0.367 33 HB3 CYS 2 HB3 CYS 2 15.163 7.961 1.395 34 HG CYS 2 HG CYS 2 14.626 5.319 1.428 35 H MET 3 H MET 3 13.984 9.286 2.200 36 HA MET 3 HA MET 3 13.388 11.204 3.138 37 HB2 MET 3 HB2 MET 3 12.136 11.879 0.461 38 HB3 MET 3 HB3 MET 3 12.105 12.944 1.845 39 HG2 MET 3 HG2 MET 3 13.932 13.620 0.542 40 HG3 MET 3 HG3 MET 3 14.576 12.865 1.996 41 HE1 MET 3 HE1 MET 3 14.806 11.184 -2.310 42 HE2 MET 3 HE2 MET 3 13.267 11.241 -1.428 43 HE3 MET 3 HE3 MET 3 14.116 12.752 -1.839 44 H ALA 4 H ALA 4 11.819 12.360 4.236 45 HA ALA 4 HA ALA 4 9.466 10.774 5.054 46 HB1 ALA 4 HB1 ALA 4 10.752 13.344 6.093 47 HB2 ALA 4 HB2 ALA 4 9.429 12.471 6.888 48 HB3 ALA 4 HB3 ALA 4 11.003 11.692 6.727 49 H LYS 5 H LYS 5 7.525 12.238 5.674 50 HA LYS 5 HA LYS 5 7.039 14.495 3.812 51 HB2 LYS 5 HB2 LYS 5 4.764 13.878 3.396 52 HB3 LYS 5 HB3 LYS 5 5.842 12.575 2.871 53 HG2 LYS 5 HG2 LYS 5 5.226 11.257 4.885 54 HG3 LYS 5 HG3 LYS 5 4.170 12.588 5.428 55 HD2 LYS 5 HD2 LYS 5 2.881 12.392 3.306 56 HD3 LYS 5 HD3 LYS 5 3.897 11.013 2.827 57 HE2 LYS 5 HE2 LYS 5 3.100 9.716 4.753 58 HE3 LYS 5 HE3 LYS 5 2.209 11.123 5.361 59 HZ1 LYS 5 HZ1 LYS 5 1.622 9.735 2.806 60 HZ2 LYS 5 HZ2 LYS 5 0.735 9.645 4.181 61 HZ3 LYS 5 HZ3 LYS 5 0.846 11.069 3.373 62 H VAL 6 H VAL 6 5.905 16.201 4.643 63 HA VAL 6 HA VAL 6 5.650 16.257 7.625 64 HB VAL 6 HB VAL 6 5.824 18.605 5.721 65 HG11 VAL 6 HG11 VAL 6 4.732 19.238 7.816 66 HG12 VAL 6 HG12 VAL 6 6.013 18.427 8.752 67 HG13 VAL 6 HG13 VAL 6 6.372 19.878 7.788 68 HG21 VAL 6 HG21 VAL 6 7.937 17.443 5.640 69 HG22 VAL 6 HG22 VAL 6 8.133 18.894 6.623 70 HG23 VAL 6 HG23 VAL 6 8.002 17.316 7.416 71 H VAL 7 H VAL 7 3.732 16.784 8.619 72 HA VAL 7 HA VAL 7 1.451 17.638 6.928 73 HB VAL 7 HB VAL 7 1.531 15.118 7.115 74 HG11 VAL 7 HG11 VAL 7 0.720 14.020 9.098 75 HG12 VAL 7 HG12 VAL 7 2.178 14.932 9.502 76 HG13 VAL 7 HG13 VAL 7 0.580 15.560 9.971 77 HG21 VAL 7 HG21 VAL 7 -0.868 14.887 7.383 78 HG22 VAL 7 HG22 VAL 7 -0.981 16.468 8.191 79 HG23 VAL 7 HG23 VAL 7 -0.495 16.353 6.477 80 H LEU 8 H LEU 8 -0.116 18.836 7.879 81 HA LEU 8 HA LEU 8 0.058 19.574 10.743 82 HB2 LEU 8 HB2 LEU 8 0.569 21.884 10.315 83 HB3 LEU 8 HB3 LEU 8 1.793 20.857 9.579 84 HG LEU 8 HG LEU 8 0.221 21.178 7.405 85 HD11 LEU 8 HD11 LEU 8 -0.494 23.563 7.257 86 HD12 LEU 8 HD12 LEU 8 -1.435 22.689 8.460 87 HD13 LEU 8 HD13 LEU 8 -0.132 23.775 8.974 88 HD21 LEU 8 HD21 LEU 8 1.755 22.925 6.671 89 HD22 LEU 8 HD22 LEU 8 2.275 23.217 8.330 90 HD23 LEU 8 HD23 LEU 8 2.626 21.666 7.532 91 H THR 9 H THR 9 -1.564 21.035 11.452 92 HA THR 9 HA THR 9 -4.025 21.193 9.742 93 HB THR 9 HB THR 9 -4.010 21.142 12.788 94 HG1 THR 9 HG1 THR 9 -3.300 19.159 12.041 95 HG21 THR 9 HG21 THR 9 -6.402 20.574 12.473 96 HG22 THR 9 HG22 THR 9 -6.022 22.146 11.749 97 HG23 THR 9 HG23 THR 9 -6.209 20.713 10.708 98 H LYS 10 H LYS 10 -4.841 23.140 9.389 99 HA LYS 10 HA LYS 10 -3.366 25.542 10.286 100 HB2 LYS 10 HB2 LYS 10 -5.655 25.191 8.323 101 HB3 LYS 10 HB3 LYS 10 -4.765 26.689 8.619 102 HG2 LYS 10 HG2 LYS 10 -2.644 25.505 7.928 103 HG3 LYS 10 HG3 LYS 10 -3.631 24.123 7.414 104 HD2 LYS 10 HD2 LYS 10 -3.873 26.977 6.356 105 HD3 LYS 10 HD3 LYS 10 -3.010 25.670 5.544 106 HE2 LYS 10 HE2 LYS 10 -5.110 24.357 5.386 107 HE3 LYS 10 HE3 LYS 10 -5.993 25.670 6.174 108 HZ1 LYS 10 HZ1 LYS 10 -4.581 25.894 3.571 109 HZ2 LYS 10 HZ2 LYS 10 -6.200 25.817 3.768 110 HZ3 LYS 10 HZ3 LYS 10 -5.374 27.112 4.310 111 H ALA 11 H ALA 11 -4.487 27.454 11.023 112 HA ALA 11 HA ALA 11 -6.333 27.074 13.173 113 HB1 ALA 11 HB1 ALA 11 -4.713 28.944 13.012 114 HB2 ALA 11 HB2 ALA 11 -5.608 29.587 11.608 115 HB3 ALA 11 HB3 ALA 11 -6.370 29.531 13.216 116 H ASP 12 H ASP 12 -6.900 27.534 9.739 117 HA ASP 12 HA ASP 12 -9.718 28.218 9.889 118 HB2 ASP 12 HB2 ASP 12 -8.080 26.995 7.640 119 HB3 ASP 12 HB3 ASP 12 -9.701 27.647 7.485 120 H GLY 13 H GLY 13 -8.161 25.323 10.694 121 HA2 GLY 13 HA2 GLY 13 -9.085 23.295 11.348 122 HA3 GLY 13 HA3 GLY 13 -10.627 23.721 10.594 123 H GLY 14 H GLY 14 -8.477 24.310 8.182 124 HA2 GLY 14 HA2 GLY 14 -8.793 21.719 6.819 125 HA3 GLY 14 HA3 GLY 14 -8.015 23.156 6.187 126 H ARG 15 H ARG 15 -6.804 20.820 5.690 127 HA ARG 15 HA ARG 15 -4.353 20.827 7.422 128 HB2 ARG 15 HB2 ARG 15 -5.893 18.426 6.363 129 HB3 ARG 15 HB3 ARG 15 -4.185 18.332 6.817 130 HG2 ARG 15 HG2 ARG 15 -4.736 19.221 9.072 131 HG3 ARG 15 HG3 ARG 15 -6.460 19.164 8.669 132 HD2 ARG 15 HD2 ARG 15 -6.445 16.789 8.545 133 HD3 ARG 15 HD3 ARG 15 -4.657 16.719 8.523 134 HE ARG 15 HE ARG 15 -5.109 17.992 10.871 135 HH11 ARG 15 HH11 ARG 15 -6.322 14.911 9.706 136 HH12 ARG 15 HH12 ARG 15 -6.433 14.267 11.325 137 HH21 ARG 15 HH21 ARG 15 -5.338 17.164 12.838 138 HH22 ARG 15 HH22 ARG 15 -5.889 15.524 13.079 139 H VAL 16 H VAL 16 -2.431 20.219 6.499 140 HA VAL 16 HA VAL 16 -2.202 20.359 3.529 141 HB VAL 16 HB VAL 16 -0.507 22.031 5.429 142 HG11 VAL 16 HG11 VAL 16 0.847 21.302 3.547 143 HG12 VAL 16 HG12 VAL 16 -0.437 21.755 2.396 144 HG13 VAL 16 HG13 VAL 16 0.426 23.002 3.327 145 HG21 VAL 16 HG21 VAL 16 -2.698 23.063 5.181 146 HG22 VAL 16 HG22 VAL 16 -1.505 23.974 4.248 147 HG23 VAL 16 HG23 VAL 16 -2.621 22.871 3.409 148 H GLU 17 H GLU 17 -0.656 19.025 2.694 149 HA GLU 17 HA GLU 17 1.121 17.495 4.513 150 HB2 GLU 17 HB2 GLU 17 -1.158 16.403 4.171 151 HB3 GLU 17 HB3 GLU 17 -0.737 16.258 2.461 152 HG2 GLU 17 HG2 GLU 17 1.313 14.971 3.157 153 HG3 GLU 17 HG3 GLU 17 0.759 15.058 4.819 154 H ILE 18 H ILE 18 3.120 17.222 3.678 155 HA ILE 18 HA ILE 18 3.639 17.989 0.815 156 HB ILE 18 HB ILE 18 5.076 18.933 3.320 157 HG12 ILE 18 HG12 ILE 18 3.425 20.545 1.308 158 HG13 ILE 18 HG13 ILE 18 2.856 20.023 2.896 159 HG21 ILE 18 HG21 ILE 18 6.667 18.604 1.445 160 HG22 ILE 18 HG22 ILE 18 5.628 19.572 0.387 161 HG23 ILE 18 HG23 ILE 18 6.453 20.315 1.772 162 HD11 ILE 18 HD11 ILE 18 5.082 21.997 2.400 163 HD12 ILE 18 HD12 ILE 18 3.492 22.261 3.126 164 HD13 ILE 18 HD13 ILE 18 4.697 21.289 3.991 165 H GLY 19 H GLY 19 4.464 16.281 -0.169 166 HA2 GLY 19 HA2 GLY 19 5.824 14.139 1.227 167 HA3 GLY 19 HA3 GLY 19 5.443 14.209 -0.481 168 H ASP 20 H ASP 20 7.804 13.212 0.651 169 HA ASP 20 HA ASP 20 10.010 13.094 0.263 170 HB2 ASP 20 HB2 ASP 20 9.352 14.639 -2.249 171 HB3 ASP 20 HB3 ASP 20 10.720 13.565 -1.983 172 H VAL 21 H VAL 21 9.691 14.962 2.153 173 HA VAL 21 HA VAL 21 10.984 17.482 1.527 174 HB VAL 21 HB VAL 21 9.273 17.182 3.299 175 HG11 VAL 21 HG11 VAL 21 10.153 15.099 4.357 176 HG12 VAL 21 HG12 VAL 21 11.529 16.029 4.973 177 HG13 VAL 21 HG13 VAL 21 9.902 16.409 5.529 178 HG21 VAL 21 HG21 VAL 21 11.890 18.397 4.254 179 HG22 VAL 21 HG22 VAL 21 10.683 19.180 3.214 180 HG23 VAL 21 HG23 VAL 21 10.265 18.742 4.875 181 H LEU 22 H LEU 22 13.097 18.081 1.674 182 HA LEU 22 HA LEU 22 15.159 16.000 2.177 183 HB2 LEU 22 HB2 LEU 22 15.329 18.894 1.239 184 HB3 LEU 22 HB3 LEU 22 16.707 17.814 1.446 185 HG LEU 22 HG LEU 22 14.441 17.380 -0.552 186 HD11 LEU 22 HD11 LEU 22 17.310 18.357 -0.904 187 HD12 LEU 22 HD12 LEU 22 16.206 17.943 -2.224 188 HD13 LEU 22 HD13 LEU 22 15.824 19.302 -1.151 189 HD21 LEU 22 HD21 LEU 22 17.105 15.919 -0.215 190 HD22 LEU 22 HD22 LEU 22 15.499 15.247 0.136 191 HD23 LEU 22 HD23 LEU 22 15.933 15.669 -1.525 192 H GLU 23 H GLU 23 14.039 19.119 3.499 193 HA GLU 23 HA GLU 23 15.108 18.427 6.133 194 HB2 GLU 23 HB2 GLU 23 17.051 19.461 4.998 195 HB3 GLU 23 HB3 GLU 23 16.098 20.918 4.692 196 HG2 GLU 23 HG2 GLU 23 15.968 21.400 7.074 197 HG3 GLU 23 HG3 GLU 23 16.649 19.816 7.478 198 H VAL 24 H VAL 24 14.054 19.403 7.777 199 HA VAL 24 HA VAL 24 12.122 21.593 7.261 200 HB VAL 24 HB VAL 24 10.764 19.636 7.192 201 HG11 VAL 24 HG11 VAL 24 10.533 18.069 9.052 202 HG12 VAL 24 HG12 VAL 24 12.150 17.999 8.344 203 HG13 VAL 24 HG13 VAL 24 11.883 18.834 9.899 204 HG21 VAL 24 HG21 VAL 24 9.169 20.069 8.953 205 HG22 VAL 24 HG22 VAL 24 10.398 20.828 9.974 206 HG23 VAL 24 HG23 VAL 24 9.875 21.614 8.471 207 H ARG 25 H ARG 25 12.013 23.088 8.847 208 HA ARG 25 HA ARG 25 13.700 22.772 11.317 209 HB2 ARG 25 HB2 ARG 25 13.761 25.101 9.348 210 HB3 ARG 25 HB3 ARG 25 14.590 25.038 10.918 211 HG2 ARG 25 HG2 ARG 25 15.890 23.050 10.104 212 HG3 ARG 25 HG3 ARG 25 15.114 23.225 8.523 213 HD2 ARG 25 HD2 ARG 25 17.283 24.206 8.380 214 HD3 ARG 25 HD3 ARG 25 16.100 25.518 8.330 215 HE ARG 25 HE ARG 25 17.847 24.736 10.655 216 HH11 ARG 25 HH11 ARG 25 15.919 27.289 9.158 217 HH12 ARG 25 HH12 ARG 25 16.303 28.376 10.497 218 HH21 ARG 25 HH21 ARG 25 18.243 26.294 12.248 219 HH22 ARG 25 HH22 ARG 25 17.465 27.867 12.067 220 H ALA 26 H ALA 26 12.953 23.717 13.102 221 HA ALA 26 HA ALA 26 10.444 25.339 13.061 222 HB1 ALA 26 HB1 ALA 26 10.440 24.942 15.490 223 HB2 ALA 26 HB2 ALA 26 10.461 23.403 14.605 224 HB3 ALA 26 HB3 ALA 26 11.951 24.018 15.362 225 H GLU 27 H GLU 27 10.755 27.472 12.996 226 HA GLU 27 HA GLU 27 13.208 28.806 14.001 227 HB2 GLU 27 HB2 GLU 27 13.820 27.684 11.860 228 HB3 GLU 27 HB3 GLU 27 12.460 28.456 11.064 229 HG2 GLU 27 HG2 GLU 27 14.451 29.578 10.453 230 HG3 GLU 27 HG3 GLU 27 13.500 30.674 11.454 231 H GLY 28 H GLY 28 12.744 30.847 14.640 232 HA2 GLY 28 HA2 GLY 28 11.733 32.880 14.876 233 HA3 GLY 28 HA3 GLY 28 11.307 32.750 13.165 234 H GLY 29 H GLY 29 10.023 30.539 15.635 235 HA2 GLY 29 HA2 GLY 29 7.881 30.267 16.492 236 HA3 GLY 29 HA3 GLY 29 7.429 31.872 15.904 237 H ALA 30 H ALA 30 8.784 29.716 13.541 238 HA ALA 30 HA ALA 30 6.129 28.804 12.551 239 HB1 ALA 30 HB1 ALA 30 8.376 30.043 10.878 240 HB2 ALA 30 HB2 ALA 30 6.815 29.461 10.286 241 HB3 ALA 30 HB3 ALA 30 6.887 30.892 11.342 242 H VAL 31 H VAL 31 6.350 27.034 10.931 243 HA VAL 31 HA VAL 31 8.968 25.573 11.095 244 HB VAL 31 HB VAL 31 6.235 24.405 10.533 245 HG11 VAL 31 HG11 VAL 31 9.016 23.157 10.289 246 HG12 VAL 31 HG12 VAL 31 7.516 22.224 10.369 247 HG13 VAL 31 HG13 VAL 31 7.782 23.305 9.007 248 HG21 VAL 31 HG21 VAL 31 6.905 24.746 12.919 249 HG22 VAL 31 HG22 VAL 31 6.755 23.044 12.518 250 HG23 VAL 31 HG23 VAL 31 8.366 23.782 12.643 251 H ARG 32 H ARG 32 10.073 25.179 9.302 252 HA ARG 32 HA ARG 32 9.101 26.242 6.672 253 HB2 ARG 32 HB2 ARG 32 11.917 26.482 7.791 254 HB3 ARG 32 HB3 ARG 32 11.312 27.155 6.272 255 HG2 ARG 32 HG2 ARG 32 9.770 28.640 7.592 256 HG3 ARG 32 HG3 ARG 32 10.470 27.990 9.083 257 HD2 ARG 32 HD2 ARG 32 12.727 28.770 8.323 258 HD3 ARG 32 HD3 ARG 32 11.927 29.565 6.948 259 HE ARG 32 HE ARG 32 10.729 30.308 9.481 260 HH11 ARG 32 HH11 ARG 32 11.007 32.338 10.301 261 HH12 ARG 32 HH12 ARG 32 12.323 33.340 9.753 262 HH21 ARG 32 HH21 ARG 32 13.546 31.027 7.522 263 HH22 ARG 32 HH22 ARG 32 13.737 32.611 8.213 264 H VAL 33 H VAL 33 9.664 25.058 4.863 265 HA VAL 33 HA VAL 33 11.141 22.474 5.253 266 HB VAL 33 HB VAL 33 9.481 21.296 3.913 267 HG11 VAL 33 HG11 VAL 33 7.705 21.084 5.594 268 HG12 VAL 33 HG12 VAL 33 9.301 21.146 6.328 269 HG13 VAL 33 HG13 VAL 33 8.244 22.578 6.378 270 HG21 VAL 33 HG21 VAL 33 7.723 23.759 4.188 271 HG22 VAL 33 HG22 VAL 33 8.438 23.168 2.671 272 HG23 VAL 33 HG23 VAL 33 7.238 22.188 3.523 273 H THR 34 H THR 34 12.111 21.553 3.475 274 HA THR 34 HA THR 34 12.098 23.025 0.867 275 HB THR 34 HB THR 34 14.567 21.860 2.204 276 HG1 THR 34 HG1 THR 34 13.934 23.798 3.178 277 HG21 THR 34 HG21 THR 34 15.773 23.067 0.382 278 HG22 THR 34 HG22 THR 34 14.755 21.758 -0.226 279 HG23 THR 34 HG23 THR 34 14.209 23.448 -0.387 280 H THR 35 H THR 35 11.885 21.682 -0.906 281 HA THR 35 HA THR 35 12.004 18.708 -0.456 282 HB THR 35 HB THR 35 10.239 18.414 -2.011 283 HG1 THR 35 HG1 THR 35 9.202 20.320 -2.871 284 HG21 THR 35 HG21 THR 35 8.344 19.436 -0.917 285 HG22 THR 35 HG22 THR 35 9.543 19.035 0.322 286 HG23 THR 35 HG23 THR 35 9.354 20.726 -0.224 287 H LEU 36 H LEU 36 12.352 17.397 -2.409 288 HA LEU 36 HA LEU 36 14.714 18.195 -3.820 289 HB2 LEU 36 HB2 LEU 36 14.773 16.054 -4.665 290 HB3 LEU 36 HB3 LEU 36 13.984 15.848 -3.114 291 HG LEU 36 HG LEU 36 12.660 15.827 -5.880 292 HD11 LEU 36 HD11 LEU 36 13.974 13.813 -5.307 293 HD12 LEU 36 HD12 LEU 36 13.017 13.631 -3.814 294 HD13 LEU 36 HD13 LEU 36 12.239 13.478 -5.403 295 HD21 LEU 36 HD21 LEU 36 10.611 15.043 -4.632 296 HD22 LEU 36 HD22 LEU 36 11.434 15.507 -3.122 297 HD23 LEU 36 HD23 LEU 36 11.014 16.733 -4.330 298 H PHE 37 H PHE 37 11.534 19.085 -4.511 299 HA PHE 37 HA PHE 37 11.914 19.450 -7.404 300 HB2 PHE 37 HB2 PHE 37 9.722 20.499 -5.586 301 HB3 PHE 37 HB3 PHE 37 9.701 20.435 -7.345 302 HD1 PHE 37 HD1 PHE 37 8.529 18.802 -4.448 303 HD2 PHE 37 HD2 PHE 37 10.147 17.969 -8.364 304 HE1 PHE 37 HE1 PHE 37 7.518 16.528 -4.388 305 HE2 PHE 37 HE2 PHE 37 9.114 15.717 -8.313 306 HZ PHE 37 HZ PHE 37 7.822 14.983 -6.312 307 H ASP 38 H ASP 38 13.387 20.894 -4.922 308 HA ASP 38 HA ASP 38 14.341 22.810 -4.390 309 HB2 ASP 38 HB2 ASP 38 13.905 23.777 -7.215 310 HB3 ASP 38 HB3 ASP 38 15.033 24.418 -6.028 311 H GLU 39 H GLU 39 11.299 22.519 -4.304 312 HA GLU 39 HA GLU 39 10.411 25.319 -4.087 313 HB2 GLU 39 HB2 GLU 39 9.060 22.699 -3.367 314 HB3 GLU 39 HB3 GLU 39 8.378 24.301 -3.058 315 HG2 GLU 39 HG2 GLU 39 8.468 24.834 -5.462 316 HG3 GLU 39 HG3 GLU 39 9.107 23.220 -5.796 317 H GLU 40 H GLU 40 9.836 26.332 -2.231 318 HA GLU 40 HA GLU 40 10.571 25.191 0.405 319 HB2 GLU 40 HB2 GLU 40 11.429 27.931 -0.596 320 HB3 GLU 40 HB3 GLU 40 11.422 27.448 1.106 321 HG2 GLU 40 HG2 GLU 40 13.032 25.670 0.664 322 HG3 GLU 40 HG3 GLU 40 12.984 26.009 -1.072 323 H HIS 41 H HIS 41 9.241 25.724 2.011 324 HA HIS 41 HA HIS 41 7.045 27.698 1.656 325 HB2 HIS 41 HB2 HIS 41 6.549 24.758 2.259 326 HB3 HIS 41 HB3 HIS 41 5.343 26.032 2.321 327 HD2 HIS 41 HD2 HIS 41 7.073 23.681 -0.111 328 HE1 HIS 41 HE1 HIS 41 4.556 26.173 -2.496 329 HE2 HIS 41 HE2 HIS 41 6.030 24.091 -2.509 330 H ALA 42 H ALA 42 5.931 28.236 3.598 331 HA ALA 42 HA ALA 42 7.181 27.424 6.156 332 HB1 ALA 42 HB1 ALA 42 6.870 30.318 5.233 333 HB2 ALA 42 HB2 ALA 42 7.406 29.801 6.844 334 HB3 ALA 42 HB3 ALA 42 8.411 29.427 5.421 335 H PHE 43 H PHE 43 5.937 27.558 7.930 336 HA PHE 43 HA PHE 43 3.045 28.295 7.681 337 HB2 PHE 43 HB2 PHE 43 4.201 25.702 8.716 338 HB3 PHE 43 HB3 PHE 43 2.513 26.186 8.804 339 HD1 PHE 43 HD1 PHE 43 1.161 26.447 6.707 340 HD2 PHE 43 HD2 PHE 43 5.180 24.901 6.640 341 HE1 PHE 43 HE1 PHE 43 0.800 25.628 4.387 342 HE2 PHE 43 HE2 PHE 43 4.839 24.119 4.304 343 HZ PHE 43 HZ PHE 43 2.651 24.479 3.177 344 HA PRO 44 HA PRO 44 4.755 30.168 11.481 345 HB2 PRO 44 HB2 PRO 44 3.112 32.363 11.628 346 HB3 PRO 44 HB3 PRO 44 4.563 32.247 10.596 347 HG2 PRO 44 HG2 PRO 44 1.676 31.801 9.804 348 HG3 PRO 44 HG3 PRO 44 2.953 32.739 8.943 349 HD2 PRO 44 HD2 PRO 44 2.283 30.182 8.258 350 HD3 PRO 44 HD3 PRO 44 3.958 30.790 8.105 351 H GLY 45 H GLY 45 4.147 30.239 13.600 352 HA2 GLY 45 HA2 GLY 45 2.807 29.966 15.487 353 HA3 GLY 45 HA3 GLY 45 1.416 29.561 14.489 354 H LEU 46 H LEU 46 4.133 27.729 13.548 355 HA LEU 46 HA LEU 46 3.184 25.368 15.121 356 HB2 LEU 46 HB2 LEU 46 4.419 25.422 12.357 357 HB3 LEU 46 HB3 LEU 46 3.895 23.987 13.228 358 HG LEU 46 HG LEU 46 2.090 26.199 12.184 359 HD11 LEU 46 HD11 LEU 46 3.082 24.592 10.533 360 HD12 LEU 46 HD12 LEU 46 2.330 23.254 11.430 361 HD13 LEU 46 HD13 LEU 46 1.310 24.479 10.653 362 HD21 LEU 46 HD21 LEU 46 1.073 25.337 14.222 363 HD22 LEU 46 HD22 LEU 46 0.218 24.653 12.833 364 HD23 LEU 46 HD23 LEU 46 1.394 23.652 13.724 365 H ALA 47 H ALA 47 4.610 23.704 15.559 366 HA ALA 47 HA ALA 47 7.518 24.033 15.269 367 HB1 ALA 47 HB1 ALA 47 7.919 23.393 17.630 368 HB2 ALA 47 HB2 ALA 47 7.057 24.932 17.522 369 HB3 ALA 47 HB3 ALA 47 6.171 23.454 17.948 370 H ILE 48 H ILE 48 8.606 21.872 15.557 371 HA ILE 48 HA ILE 48 7.015 19.758 14.337 372 HB ILE 48 HB ILE 48 9.869 19.675 15.351 373 HG12 ILE 48 HG12 ILE 48 9.002 19.936 12.444 374 HG13 ILE 48 HG13 ILE 48 9.327 21.356 13.437 375 HG21 ILE 48 HG21 ILE 48 8.290 17.794 13.532 376 HG22 ILE 48 HG22 ILE 48 10.028 17.673 13.814 377 HG23 ILE 48 HG23 ILE 48 8.918 17.414 15.152 378 HD11 ILE 48 HD11 ILE 48 11.329 19.207 12.726 379 HD12 ILE 48 HD12 ILE 48 11.310 20.897 12.206 380 HD13 ILE 48 HD13 ILE 48 11.613 20.510 13.901 381 H GLY 49 H GLY 49 5.820 18.279 15.374 382 HA2 GLY 49 HA2 GLY 49 5.835 18.230 18.339 383 HA3 GLY 49 HA3 GLY 49 4.574 17.651 17.245 384 H ARG 50 H ARG 50 5.803 15.842 15.636 385 HA ARG 50 HA ARG 50 7.368 13.921 17.255 386 HB2 ARG 50 HB2 ARG 50 4.719 13.083 16.012 387 HB3 ARG 50 HB3 ARG 50 5.861 12.048 16.869 388 HG2 ARG 50 HG2 ARG 50 5.376 13.410 18.973 389 HG3 ARG 50 HG3 ARG 50 4.056 14.180 18.057 390 HD2 ARG 50 HD2 ARG 50 4.377 11.241 18.784 391 HD3 ARG 50 HD3 ARG 50 3.166 12.354 19.388 392 HE ARG 50 HE ARG 50 2.075 12.370 17.231 393 HH11 ARG 50 HH11 ARG 50 4.395 9.679 17.513 394 HH12 ARG 50 HH12 ARG 50 4.057 9.162 15.891 395 HH21 ARG 50 HH21 ARG 50 1.657 11.474 15.209 396 HH22 ARG 50 HH22 ARG 50 2.639 10.126 14.656 397 H VAL 51 H VAL 51 8.145 12.098 16.013 398 HA VAL 51 HA VAL 51 7.617 12.186 13.088 399 HB VAL 51 HB VAL 51 10.392 11.505 14.076 400 HG11 VAL 51 HG11 VAL 51 9.202 12.050 11.332 401 HG12 VAL 51 HG12 VAL 51 10.927 11.755 11.667 402 HG13 VAL 51 HG13 VAL 51 9.726 10.487 11.947 403 HG21 VAL 51 HG21 VAL 51 11.141 13.645 13.097 404 HG22 VAL 51 HG22 VAL 51 9.442 14.151 12.935 405 HG23 VAL 51 HG23 VAL 51 10.165 13.871 14.539 406 H ASP 52 H ASP 52 6.789 10.363 12.410 407 HA ASP 52 HA ASP 52 7.115 7.801 13.906 408 HB2 ASP 52 HB2 ASP 52 5.255 8.667 11.654 409 HB3 ASP 52 HB3 ASP 52 5.347 7.024 12.306 410 H LEU 53 H LEU 53 9.309 7.293 13.289 411 HA LEU 53 HA LEU 53 10.092 7.175 10.487 412 HB2 LEU 53 HB2 LEU 53 11.353 5.810 12.891 413 HB3 LEU 53 HB3 LEU 53 12.021 5.899 11.282 414 HG LEU 53 HG LEU 53 13.223 7.402 12.579 415 HD11 LEU 53 HD11 LEU 53 12.878 9.566 11.483 416 HD12 LEU 53 HD12 LEU 53 12.708 8.223 10.338 417 HD13 LEU 53 HD13 LEU 53 11.261 9.062 10.951 418 HD21 LEU 53 HD21 LEU 53 10.743 8.926 13.421 419 HD22 LEU 53 HD22 LEU 53 11.601 7.739 14.436 420 HD23 LEU 53 HD23 LEU 53 12.422 9.200 13.903 421 H ARG 54 H ARG 54 8.061 5.234 12.349 422 HA ARG 54 HA ARG 54 8.161 2.682 11.020 423 HB2 ARG 54 HB2 ARG 54 5.816 4.265 12.209 424 HB3 ARG 54 HB3 ARG 54 5.748 2.569 11.716 425 HG2 ARG 54 HG2 ARG 54 7.418 1.954 13.414 426 HG3 ARG 54 HG3 ARG 54 7.619 3.647 13.872 427 HD2 ARG 54 HD2 ARG 54 6.185 2.594 15.488 428 HD3 ARG 54 HD3 ARG 54 5.252 3.762 14.560 429 HE ARG 54 HE ARG 54 5.184 0.976 13.578 430 HH11 ARG 54 HH11 ARG 54 3.519 3.266 15.648 431 HH12 ARG 54 HH12 ARG 54 2.027 2.366 15.597 432 HH21 ARG 54 HH21 ARG 54 3.249 -0.113 13.544 433 HH22 ARG 54 HH22 ARG 54 1.883 0.500 14.433 434 H SER 55 H SER 55 6.822 5.786 10.001 435 HA SER 55 HA SER 55 5.863 4.606 7.412 436 HB2 SER 55 HB2 SER 55 3.812 5.910 7.636 437 HB3 SER 55 HB3 SER 55 4.002 4.798 8.998 438 HG SER 55 HG SER 55 3.373 6.868 9.704 439 H GLY 56 H GLY 56 7.721 7.072 8.870 440 HA2 GLY 56 HA2 GLY 56 9.004 8.703 7.842 441 HA3 GLY 56 HA3 GLY 56 8.179 8.431 6.308 442 H VAL 57 H VAL 57 6.125 9.020 9.104 443 HA VAL 57 HA VAL 57 5.347 11.626 7.924 444 HB VAL 57 HB VAL 57 4.018 9.941 10.068 445 HG11 VAL 57 HG11 VAL 57 2.108 11.542 9.804 446 HG12 VAL 57 HG12 VAL 57 3.509 12.304 10.539 447 HG13 VAL 57 HG13 VAL 57 3.146 12.601 8.823 448 HG21 VAL 57 HG21 VAL 57 2.273 9.680 8.331 449 HG22 VAL 57 HG22 VAL 57 3.249 10.635 7.203 450 HG23 VAL 57 HG23 VAL 57 3.827 9.051 7.764 451 H ILE 58 H ILE 58 6.140 13.437 8.571 452 HA ILE 58 HA ILE 58 7.111 13.880 11.359 453 HB ILE 58 HB ILE 58 7.437 15.416 8.767 454 HG12 ILE 58 HG12 ILE 58 9.561 14.233 10.595 455 HG13 ILE 58 HG13 ILE 58 8.876 13.363 9.221 456 HG21 ILE 58 HG21 ILE 58 7.124 17.075 10.558 457 HG22 ILE 58 HG22 ILE 58 8.336 16.247 11.559 458 HG23 ILE 58 HG23 ILE 58 8.794 17.061 10.050 459 HD11 ILE 58 HD11 ILE 58 10.532 15.888 9.148 460 HD12 ILE 58 HD12 ILE 58 10.945 14.290 8.520 461 HD13 ILE 58 HD13 ILE 58 9.678 15.237 7.718 462 H SER 59 H SER 59 5.609 14.596 12.733 463 HA SER 59 HA SER 59 3.110 15.864 11.700 464 HB2 SER 59 HB2 SER 59 2.864 13.779 12.994 465 HB3 SER 59 HB3 SER 59 3.733 14.527 14.355 466 HG SER 59 HG SER 59 1.173 15.139 13.295 467 H LEU 60 H LEU 60 2.850 17.993 11.937 468 HA LEU 60 HA LEU 60 4.493 19.512 13.906 469 HB2 LEU 60 HB2 LEU 60 2.646 20.596 11.771 470 HB3 LEU 60 HB3 LEU 60 3.836 21.471 12.718 471 HG LEU 60 HG LEU 60 4.349 19.456 10.497 472 HD11 LEU 60 HD11 LEU 60 3.791 21.762 9.805 473 HD12 LEU 60 HD12 LEU 60 5.064 22.403 10.852 474 HD13 LEU 60 HD13 LEU 60 5.469 21.401 9.443 475 HD21 LEU 60 HD21 LEU 60 6.084 19.036 12.165 476 HD22 LEU 60 HD22 LEU 60 6.770 19.924 10.813 477 HD23 LEU 60 HD23 LEU 60 6.394 20.780 12.329 478 H ILE 61 H ILE 61 3.652 21.013 15.307 479 HA ILE 61 HA ILE 61 0.784 20.886 16.061 480 HB ILE 61 HB ILE 61 1.382 20.661 18.451 481 HG12 ILE 61 HG12 ILE 61 3.616 19.421 18.910 482 HG13 ILE 61 HG13 ILE 61 4.207 20.158 17.428 483 HG21 ILE 61 HG21 ILE 61 2.270 18.282 16.775 484 HG22 ILE 61 HG22 ILE 61 1.623 18.257 18.428 485 HG23 ILE 61 HG23 ILE 61 0.587 18.761 17.085 486 HD11 ILE 61 HD11 ILE 61 4.850 21.364 19.489 487 HD12 ILE 61 HD12 ILE 61 3.901 22.394 18.417 488 HD13 ILE 61 HD13 ILE 61 3.140 21.657 19.856 489 H GLU 62 H GLU 62 0.150 22.652 17.572 490 HA GLU 62 HA GLU 62 1.188 25.170 16.634 491 HB2 GLU 62 HB2 GLU 62 -0.651 24.634 19.002 492 HB3 GLU 62 HB3 GLU 62 -0.338 26.182 18.215 493 HG2 GLU 62 HG2 GLU 62 -2.346 25.600 17.294 494 HG3 GLU 62 HG3 GLU 62 -1.219 25.106 16.038 495 H GLU 63 H GLU 63 2.676 26.559 17.493 496 HA GLU 63 HA GLU 63 4.536 25.477 19.387 497 HB2 GLU 63 HB2 GLU 63 5.889 27.404 18.916 498 HB3 GLU 63 HB3 GLU 63 5.179 26.759 17.460 499 HG2 GLU 63 HG2 GLU 63 4.880 28.987 17.060 500 HG3 GLU 63 HG3 GLU 63 3.323 28.603 17.790 501 H GLN 64 H GLN 64 1.762 27.386 19.950 502 HA GLN 64 HA GLN 64 2.318 27.327 22.844 503 HB2 GLN 64 HB2 GLN 64 1.515 29.853 21.352 504 HB3 GLN 64 HB3 GLN 64 1.187 29.621 23.068 505 HG2 GLN 64 HG2 GLN 64 3.563 29.390 23.571 506 HG3 GLN 64 HG3 GLN 64 3.980 29.547 21.867 507 HE21 GLN 64 HE21 GLN 64 3.523 31.603 20.770 508 HE22 GLN 64 HE22 GLN 64 3.459 33.087 21.744 509 H ASN 65 H ASN 65 0.497 27.066 24.101 510 HA ASN 65 HA ASN 65 -2.113 26.646 22.700 511 HB2 ASN 65 HB2 ASN 65 -0.934 25.012 24.983 512 HB3 ASN 65 HB3 ASN 65 -2.462 24.702 24.172 513 HD21 ASN 65 HD21 ASN 65 -2.323 24.204 21.767 514 HD22 ASN 65 HD22 ASN 65 -0.911 23.316 21.227 515 H ARG 66 H ARG 66 -0.726 28.636 24.899 516 HA ARG 66 HA ARG 66 -2.903 28.874 26.850 517 HB2 ARG 66 HB2 ARG 66 -1.642 30.757 27.747 518 HB3 ARG 66 HB3 ARG 66 -0.668 29.298 27.610 519 HG2 ARG 66 HG2 ARG 66 0.444 30.174 25.592 520 HG3 ARG 66 HG3 ARG 66 -0.571 31.630 25.653 521 HD2 ARG 66 HD2 ARG 66 0.359 32.247 27.818 522 HD3 ARG 66 HD3 ARG 66 1.303 30.749 27.889 523 HE ARG 66 HE ARG 66 2.144 31.920 25.525 524 HH11 ARG 66 HH11 ARG 66 2.140 33.105 28.826 525 HH12 ARG 66 HH12 ARG 66 3.549 34.096 28.541 526 HH21 ARG 66 HH21 ARG 66 3.859 33.121 25.245 527 HH22 ARG 66 HH22 ARG 66 4.506 34.107 26.545 528 H1 GLY -3 H1 GLY -3 25.774 -1.631 -5.270 529 H2 GLY -3 H2 GLY -3 25.053 -1.376 -3.819 530 H3 GLY -3 H3 GLY -3 26.466 -0.629 -4.178 531 HA2 GLY -3 HA2 GLY -3 25.426 0.662 -5.911 532 HA3 GLY -3 HA3 GLY -3 23.895 -0.149 -5.526 533 HA PRO -2 HA PRO -2 24.015 3.770 -3.036 534 HB2 PRO -2 HB2 PRO -2 21.474 4.587 -3.488 535 HB3 PRO -2 HB3 PRO -2 22.788 4.838 -4.675 536 HG2 PRO -2 HG2 PRO -2 20.751 2.592 -4.625 537 HG3 PRO -2 HG3 PRO -2 21.170 3.663 -6.003 538 HD2 PRO -2 HD2 PRO -2 22.298 1.211 -5.733 539 HD3 PRO -2 HD3 PRO -2 23.257 2.602 -6.318 540 H GLY -1 H GLY -1 22.680 4.407 -1.165 541 HA2 GLY -1 HA2 GLY -1 21.997 2.106 0.539 542 HA3 GLY -1 HA3 GLY -1 22.066 3.795 1.001 543 H SER 0 H SER 0 20.109 2.755 2.171 544 HA SER 0 HA SER 0 17.721 3.917 0.947 545 HB2 SER 0 HB2 SER 0 17.576 1.600 0.137 546 HB3 SER 0 HB3 SER 0 17.744 0.998 1.795 547 HG SER 0 HG SER 0 15.557 1.108 1.089 548 H MET 1 H MET 1 16.364 4.791 2.471 549 HA MET 1 HA MET 1 17.404 5.042 5.181 550 HB2 MET 1 HB2 MET 1 14.852 6.119 3.915 551 HB3 MET 1 HB3 MET 1 15.440 6.510 5.528 552 HG2 MET 1 HG2 MET 1 17.547 7.416 4.501 553 HG3 MET 1 HG3 MET 1 16.849 7.115 2.913 554 HE1 MET 1 HE1 MET 1 15.478 8.705 6.360 555 HE2 MET 1 HE2 MET 1 17.086 9.388 5.995 556 HE3 MET 1 HE3 MET 1 15.644 10.419 5.906 557 H CYS 2 H CYS 2 16.862 3.988 6.949 558 HA CYS 2 HA CYS 2 14.151 3.147 7.473 559 HB2 CYS 2 HB2 CYS 2 15.110 1.138 6.311 560 HB3 CYS 2 HB3 CYS 2 16.335 1.030 7.594 561 HG CYS 2 HG CYS 2 14.412 -0.781 7.925 562 H MET 3 H MET 3 13.728 3.466 9.599 563 HA MET 3 HA MET 3 13.932 4.707 11.498 564 HB2 MET 3 HB2 MET 3 16.319 2.868 11.832 565 HB3 MET 3 HB3 MET 3 15.983 4.124 12.993 566 HG2 MET 3 HG2 MET 3 14.960 2.227 13.854 567 HG3 MET 3 HG3 MET 3 13.677 3.284 13.288 568 HE1 MET 3 HE1 MET 3 14.935 -0.767 11.510 569 HE2 MET 3 HE2 MET 3 15.866 0.676 11.035 570 HE3 MET 3 HE3 MET 3 15.800 0.190 12.742 571 H ALA 4 H ALA 4 15.642 6.124 12.853 572 HA ALA 4 HA ALA 4 17.403 7.739 11.066 573 HB1 ALA 4 HB1 ALA 4 15.202 8.826 11.046 574 HB2 ALA 4 HB2 ALA 4 15.156 8.811 12.828 575 HB3 ALA 4 HB3 ALA 4 16.344 9.810 11.977 576 H LYS 5 H LYS 5 18.461 9.515 12.654 577 HA LYS 5 HA LYS 5 18.869 8.350 15.366 578 HB2 LYS 5 HB2 LYS 5 21.165 8.852 15.477 579 HB3 LYS 5 HB3 LYS 5 20.891 7.818 14.076 580 HG2 LYS 5 HG2 LYS 5 21.162 9.746 12.568 581 HG3 LYS 5 HG3 LYS 5 21.271 10.847 13.956 582 HD2 LYS 5 HD2 LYS 5 23.294 9.656 14.755 583 HD3 LYS 5 HD3 LYS 5 23.222 8.576 13.336 584 HE2 LYS 5 HE2 LYS 5 23.578 10.478 11.839 585 HE3 LYS 5 HE3 LYS 5 23.462 11.619 13.194 586 HZ1 LYS 5 HZ1 LYS 5 25.770 11.179 12.628 587 HZ2 LYS 5 HZ2 LYS 5 25.456 10.653 14.145 588 HZ3 LYS 5 HZ3 LYS 5 25.600 9.584 12.912 589 H VAL 6 H VAL 6 19.020 9.681 17.057 590 HA VAL 6 HA VAL 6 18.157 12.518 16.664 591 HB VAL 6 HB VAL 6 17.721 10.516 18.880 592 HG11 VAL 6 HG11 VAL 6 17.213 13.498 19.068 593 HG12 VAL 6 HG12 VAL 6 16.634 12.267 20.215 594 HG13 VAL 6 HG13 VAL 6 18.364 12.571 20.071 595 HG21 VAL 6 HG21 VAL 6 15.774 12.345 17.452 596 HG22 VAL 6 HG22 VAL 6 16.108 10.679 16.939 597 HG23 VAL 6 HG23 VAL 6 15.397 10.992 18.528 598 H VAL 7 H VAL 7 19.318 14.194 17.520 599 HA VAL 7 HA VAL 7 21.710 13.597 19.177 600 HB VAL 7 HB VAL 7 22.512 13.781 16.910 601 HG11 VAL 7 HG11 VAL 7 20.815 15.284 15.914 602 HG12 VAL 7 HG12 VAL 7 21.435 16.633 16.896 603 HG13 VAL 7 HG13 VAL 7 22.455 15.890 15.662 604 HG21 VAL 7 HG21 VAL 7 23.914 14.608 18.813 605 HG22 VAL 7 HG22 VAL 7 24.255 15.433 17.283 606 HG23 VAL 7 HG23 VAL 7 23.298 16.251 18.518 607 H LEU 8 H LEU 8 22.186 14.974 20.772 608 HA LEU 8 HA LEU 8 20.699 17.502 21.125 609 HB2 LEU 8 HB2 LEU 8 19.638 16.824 23.188 610 HB3 LEU 8 HB3 LEU 8 19.200 15.741 21.887 611 HG LEU 8 HG LEU 8 21.207 14.246 22.878 612 HD11 LEU 8 HD11 LEU 8 21.845 15.787 24.715 613 HD12 LEU 8 HD12 LEU 8 20.168 15.778 25.309 614 HD13 LEU 8 HD13 LEU 8 21.139 14.303 25.369 615 HD21 LEU 8 HD21 LEU 8 18.888 13.518 22.600 616 HD22 LEU 8 HD22 LEU 8 19.527 13.022 24.180 617 HD23 LEU 8 HD23 LEU 8 18.412 14.409 24.066 618 H THR 9 H THR 9 21.352 18.731 22.971 619 HA THR 9 HA THR 9 24.168 18.231 23.873 620 HB THR 9 HB THR 9 22.785 20.926 23.816 621 HG1 THR 9 HG1 THR 9 23.006 20.219 21.714 622 HG21 THR 9 HG21 THR 9 24.725 20.797 25.323 623 HG22 THR 9 HG22 THR 9 25.709 20.086 24.026 624 HG23 THR 9 HG23 THR 9 25.129 21.760 23.900 625 H LYS 10 H LYS 10 24.584 18.042 25.966 626 HA LYS 10 HA LYS 10 22.384 17.872 27.926 627 HB2 LYS 10 HB2 LYS 10 25.381 17.400 28.167 628 HB3 LYS 10 HB3 LYS 10 24.194 17.077 29.434 629 HG2 LYS 10 HG2 LYS 10 23.022 15.495 27.825 630 HG3 LYS 10 HG3 LYS 10 24.418 15.655 26.753 631 HD2 LYS 10 HD2 LYS 10 24.522 14.741 29.668 632 HD3 LYS 10 HD3 LYS 10 24.492 13.644 28.295 633 HE2 LYS 10 HE2 LYS 10 26.662 14.307 27.554 634 HE3 LYS 10 HE3 LYS 10 26.655 15.766 28.539 635 HZ1 LYS 10 HZ1 LYS 10 28.017 13.998 29.514 636 HZ2 LYS 10 HZ2 LYS 10 26.808 14.440 30.515 637 HZ3 LYS 10 HZ3 LYS 10 26.708 13.035 29.681 638 H ALA 11 H ALA 11 22.512 18.833 30.041 639 HA ALA 11 HA ALA 11 23.208 21.613 30.244 640 HB1 ALA 11 HB1 ALA 11 22.729 19.497 32.394 641 HB2 ALA 11 HB2 ALA 11 22.732 21.255 32.645 642 HB3 ALA 11 HB3 ALA 11 21.481 20.513 31.625 643 H ASP 12 H ASP 12 25.097 18.698 30.648 644 HA ASP 12 HA ASP 12 27.387 19.766 32.033 645 HB2 ASP 12 HB2 ASP 12 27.212 17.473 30.036 646 HB3 ASP 12 HB3 ASP 12 28.522 17.753 31.179 647 H GLY 13 H GLY 13 26.232 20.441 28.872 648 HA2 GLY 13 HA2 GLY 13 27.139 21.754 27.186 649 HA3 GLY 13 HA3 GLY 13 28.719 21.722 27.981 650 H GLY 14 H GLY 14 28.120 18.560 27.977 651 HA2 GLY 14 HA2 GLY 14 29.485 17.906 25.447 652 HA3 GLY 14 HA3 GLY 14 28.922 16.776 26.679 653 H ARG 15 H ARG 15 28.558 16.061 24.140 654 HA ARG 15 HA ARG 15 25.633 16.408 23.614 655 HB2 ARG 15 HB2 ARG 15 27.919 16.429 21.625 656 HB3 ARG 15 HB3 ARG 15 26.260 16.020 21.157 657 HG2 ARG 15 HG2 ARG 15 25.429 18.135 22.047 658 HG3 ARG 15 HG3 ARG 15 27.060 18.619 22.531 659 HD2 ARG 15 HD2 ARG 15 27.797 18.725 20.254 660 HD3 ARG 15 HD3 ARG 15 26.288 17.988 19.663 661 HE ARG 15 HE ARG 15 25.391 20.180 21.036 662 HH11 ARG 15 HH11 ARG 15 27.603 19.880 18.334 663 HH12 ARG 15 HH12 ARG 15 27.194 21.465 17.721 664 HH21 ARG 15 HH21 ARG 15 24.932 22.140 20.230 665 HH22 ARG 15 HH22 ARG 15 25.697 22.712 18.767 666 H VAL 16 H VAL 16 24.510 14.789 22.669 667 HA VAL 16 HA VAL 16 25.576 12.009 22.969 668 HB VAL 16 HB VAL 16 22.930 13.078 24.025 669 HG11 VAL 16 HG11 VAL 16 22.568 10.791 24.914 670 HG12 VAL 16 HG12 VAL 16 22.570 10.831 23.153 671 HG13 VAL 16 HG13 VAL 16 23.998 10.226 24.024 672 HG21 VAL 16 HG21 VAL 16 24.816 13.587 25.521 673 HG22 VAL 16 HG22 VAL 16 23.766 12.354 26.227 674 HG23 VAL 16 HG23 VAL 16 25.313 11.882 25.492 675 H GLU 17 H GLU 17 24.999 10.629 21.417 676 HA GLU 17 HA GLU 17 22.897 11.395 19.438 677 HB2 GLU 17 HB2 GLU 17 25.472 9.868 18.926 678 HB3 GLU 17 HB3 GLU 17 24.125 9.999 17.787 679 HG2 GLU 17 HG2 GLU 17 24.376 12.474 17.779 680 HG3 GLU 17 HG3 GLU 17 25.744 12.337 18.884 681 H ILE 18 H ILE 18 21.417 9.866 18.907 682 HA ILE 18 HA ILE 18 21.442 7.221 20.328 683 HB ILE 18 HB ILE 18 19.077 9.090 19.968 684 HG12 ILE 18 HG12 ILE 18 20.528 8.340 22.548 685 HG13 ILE 18 HG13 ILE 18 20.690 9.885 21.709 686 HG21 ILE 18 HG21 ILE 18 17.805 7.470 21.271 687 HG22 ILE 18 HG22 ILE 18 18.486 6.662 19.866 688 HG23 ILE 18 HG23 ILE 18 19.240 6.428 21.449 689 HD11 ILE 18 HD11 ILE 18 19.194 10.252 23.471 690 HD12 ILE 18 HD12 ILE 18 18.233 10.279 21.985 691 HD13 ILE 18 HD13 ILE 18 18.196 8.847 23.059 692 H GLY 19 H GLY 19 21.693 5.747 18.764 693 HA2 GLY 19 HA2 GLY 19 20.841 6.207 16.007 694 HA3 GLY 19 HA3 GLY 19 21.731 4.828 16.617 695 H ASP 20 H ASP 20 19.763 4.529 14.769 696 HA ASP 20 HA ASP 20 17.923 3.368 14.192 697 HB2 ASP 20 HB2 ASP 20 18.525 1.703 16.640 698 HB3 ASP 20 HB3 ASP 20 17.722 1.205 15.141 699 H VAL 21 H VAL 21 17.152 5.653 15.433 700 HA VAL 21 HA VAL 21 15.043 5.248 17.394 701 HB VAL 21 HB VAL 21 15.819 7.616 15.640 702 HG11 VAL 21 HG11 VAL 21 13.445 7.873 16.037 703 HG12 VAL 21 HG12 VAL 21 13.635 7.431 17.750 704 HG13 VAL 21 HG13 VAL 21 14.305 8.958 17.115 705 HG21 VAL 21 HG21 VAL 21 17.383 7.002 17.479 706 HG22 VAL 21 HG22 VAL 21 16.586 8.538 17.809 707 HG23 VAL 21 HG23 VAL 21 16.055 7.070 18.645 708 H LEU 22 H LEU 22 13.077 4.655 17.101 709 HA LEU 22 HA LEU 22 11.963 4.270 14.377 710 HB2 LEU 22 HB2 LEU 22 12.484 2.316 15.768 711 HB3 LEU 22 HB3 LEU 22 11.380 2.880 17.019 712 HG LEU 22 HG LEU 22 10.183 2.671 14.277 713 HD11 LEU 22 HD11 LEU 22 11.685 0.724 14.208 714 HD12 LEU 22 HD12 LEU 22 10.977 0.139 15.728 715 HD13 LEU 22 HD13 LEU 22 9.988 0.262 14.260 716 HD21 LEU 22 HD21 LEU 22 9.394 1.594 17.038 717 HD22 LEU 22 HD22 LEU 22 8.791 3.089 16.296 718 HD23 LEU 22 HD23 LEU 22 8.380 1.516 15.591 719 H GLU 23 H GLU 23 11.380 5.977 17.404 720 HA GLU 23 HA GLU 23 9.480 7.665 16.016 721 HB2 GLU 23 HB2 GLU 23 8.056 5.763 17.110 722 HB3 GLU 23 HB3 GLU 23 8.497 6.531 18.645 723 HG2 GLU 23 HG2 GLU 23 7.560 8.719 17.530 724 HG3 GLU 23 HG3 GLU 23 6.865 7.630 16.335 725 H VAL 24 H VAL 24 9.347 9.770 16.979 726 HA VAL 24 HA VAL 24 10.677 10.241 19.586 727 HB VAL 24 HB VAL 24 12.465 10.550 17.951 728 HG11 VAL 24 HG11 VAL 24 12.406 12.422 16.342 729 HG12 VAL 24 HG12 VAL 24 11.261 11.139 15.974 730 HG13 VAL 24 HG13 VAL 24 10.691 12.671 16.688 731 HG21 VAL 24 HG21 VAL 24 13.239 12.727 18.620 732 HG22 VAL 24 HG22 VAL 24 11.608 13.259 19.031 733 HG23 VAL 24 HG23 VAL 24 12.401 11.996 19.987 734 H ARG 25 H ARG 25 9.921 12.019 20.704 735 HA ARG 25 HA ARG 25 7.531 13.451 19.633 736 HB2 ARG 25 HB2 ARG 25 7.533 12.087 22.352 737 HB3 ARG 25 HB3 ARG 25 6.162 12.725 21.449 738 HG2 ARG 25 HG2 ARG 25 6.434 10.824 19.816 739 HG3 ARG 25 HG3 ARG 25 7.794 10.220 20.792 740 HD2 ARG 25 HD2 ARG 25 6.204 10.159 22.787 741 HD3 ARG 25 HD3 ARG 25 4.889 10.420 21.631 742 HE ARG 25 HE ARG 25 5.489 8.342 20.499 743 HH11 ARG 25 HH11 ARG 25 7.071 8.642 23.637 744 HH12 ARG 25 HH12 ARG 25 7.579 6.963 23.628 745 HH21 ARG 25 HH21 ARG 25 6.209 6.281 20.550 746 HH22 ARG 25 HH22 ARG 25 7.255 5.753 21.856 747 H ALA 26 H ALA 26 7.620 15.563 20.121 748 HA ALA 26 HA ALA 26 9.041 16.564 22.537 749 HB1 ALA 26 HB1 ALA 26 8.460 18.770 21.627 750 HB2 ALA 26 HB2 ALA 26 9.353 17.802 20.439 751 HB3 ALA 26 HB3 ALA 26 7.603 18.007 20.268 752 H GLU 27 H GLU 27 7.840 16.053 24.317 753 HA GLU 27 HA GLU 27 4.948 16.611 24.498 754 HB2 GLU 27 HB2 GLU 27 4.903 14.566 23.278 755 HB3 GLU 27 HB3 GLU 27 6.149 13.823 24.255 756 HG2 GLU 27 HG2 GLU 27 3.498 14.647 25.508 757 HG3 GLU 27 HG3 GLU 27 3.605 13.186 24.534 758 H GLY 28 H GLY 28 4.295 16.971 26.551 759 HA2 GLY 28 HA2 GLY 28 4.245 17.073 28.843 760 HA3 GLY 28 HA3 GLY 28 5.265 15.633 28.852 761 H GLY 29 H GLY 29 6.253 18.771 27.506 762 HA2 GLY 29 HA2 GLY 29 7.836 20.333 28.194 763 HA3 GLY 29 HA3 GLY 29 7.780 19.652 29.819 764 H ALA 30 H ALA 30 8.497 17.503 27.191 765 HA ALA 30 HA ALA 30 11.430 17.560 27.532 766 HB1 ALA 30 HB1 ALA 30 10.485 16.103 29.373 767 HB2 ALA 30 HB2 ALA 30 9.644 15.156 28.143 768 HB3 ALA 30 HB3 ALA 30 11.412 15.160 28.183 769 H VAL 31 H VAL 31 12.469 15.955 26.037 770 HA VAL 31 HA VAL 31 10.674 15.090 23.806 771 HB VAL 31 HB VAL 31 13.677 15.354 23.780 772 HG11 VAL 31 HG11 VAL 31 13.227 13.225 22.692 773 HG12 VAL 31 HG12 VAL 31 11.836 13.905 21.814 774 HG13 VAL 31 HG13 VAL 31 13.471 14.423 21.417 775 HG21 VAL 31 HG21 VAL 31 11.489 16.399 21.916 776 HG22 VAL 31 HG22 VAL 31 12.188 17.332 23.245 777 HG23 VAL 31 HG23 VAL 31 13.210 16.834 21.900 778 H ARG 32 H ARG 32 10.140 13.074 23.622 779 HA ARG 32 HA ARG 32 11.556 10.956 25.188 780 HB2 ARG 32 HB2 ARG 32 8.580 11.268 24.632 781 HB3 ARG 32 HB3 ARG 32 9.328 9.685 24.874 782 HG2 ARG 32 HG2 ARG 32 8.484 10.284 26.979 783 HG3 ARG 32 HG3 ARG 32 10.226 10.437 27.070 784 HD2 ARG 32 HD2 ARG 32 10.001 12.523 27.856 785 HD3 ARG 32 HD3 ARG 32 9.266 13.015 26.334 786 HE ARG 32 HE ARG 32 7.060 12.444 27.173 787 HH11 ARG 32 HH11 ARG 32 5.623 13.060 28.674 788 HH12 ARG 32 HH12 ARG 32 6.119 13.316 30.339 789 HH21 ARG 32 HH21 ARG 32 9.459 12.781 29.736 790 HH22 ARG 32 HH22 ARG 32 8.249 13.235 30.902 791 H VAL 33 H VAL 33 12.047 9.072 24.115 792 HA VAL 33 HA VAL 33 11.629 8.980 21.183 793 HB VAL 33 HB VAL 33 13.574 10.377 21.496 794 HG11 VAL 33 HG11 VAL 33 14.432 9.516 23.650 795 HG12 VAL 33 HG12 VAL 33 14.917 8.005 22.840 796 HG13 VAL 33 HG13 VAL 33 15.685 9.545 22.407 797 HG21 VAL 33 HG21 VAL 33 13.478 8.965 19.523 798 HG22 VAL 33 HG22 VAL 33 15.149 9.217 20.059 799 HG23 VAL 33 HG23 VAL 33 14.347 7.665 20.374 800 H THR 34 H THR 34 11.809 7.022 20.237 801 HA THR 34 HA THR 34 11.890 4.617 22.016 802 HB THR 34 HB THR 34 10.080 5.161 19.638 803 HG1 THR 34 HG1 THR 34 9.594 6.422 21.465 804 HG21 THR 34 HG21 THR 34 10.109 2.882 21.657 805 HG22 THR 34 HG22 THR 34 8.784 3.212 20.520 806 HG23 THR 34 HG23 THR 34 10.374 2.766 19.905 807 H THR 35 H THR 35 12.975 2.872 21.290 808 HA THR 35 HA THR 35 14.159 2.921 18.525 809 HB THR 35 HB THR 35 15.894 1.466 19.303 810 HG1 THR 35 HG1 THR 35 14.742 1.673 21.880 811 HG21 THR 35 HG21 THR 35 17.122 2.867 20.856 812 HG22 THR 35 HG22 THR 35 16.269 3.905 19.694 813 HG23 THR 35 HG23 THR 35 15.635 3.719 21.338 814 H LEU 36 H LEU 36 14.407 0.793 17.466 815 HA LEU 36 HA LEU 36 12.002 -0.749 17.487 816 HB2 LEU 36 HB2 LEU 36 12.908 -1.994 15.766 817 HB3 LEU 36 HB3 LEU 36 13.533 -0.382 15.515 818 HG LEU 36 HG LEU 36 15.107 -2.687 16.787 819 HD11 LEU 36 HD11 LEU 36 14.553 -3.163 14.460 820 HD12 LEU 36 HD12 LEU 36 15.121 -1.551 13.970 821 HD13 LEU 36 HD13 LEU 36 16.271 -2.755 14.599 822 HD21 LEU 36 HD21 LEU 36 15.911 0.095 15.844 823 HD22 LEU 36 HD22 LEU 36 16.074 -0.577 17.495 824 HD23 LEU 36 HD23 LEU 36 17.072 -1.208 16.199 825 H PHE 37 H PHE 37 14.590 -0.971 19.673 826 HA PHE 37 HA PHE 37 14.264 -3.802 20.351 827 HB2 PHE 37 HB2 PHE 37 15.596 -1.575 21.912 828 HB3 PHE 37 HB3 PHE 37 15.786 -3.306 22.158 829 HD1 PHE 37 HD1 PHE 37 16.679 -4.701 20.112 830 HD2 PHE 37 HD2 PHE 37 17.195 -0.441 20.562 831 HE1 PHE 37 HE1 PHE 37 18.545 -4.751 18.474 832 HE2 PHE 37 HE2 PHE 37 19.059 -0.494 18.922 833 HZ PHE 37 HZ PHE 37 19.740 -2.656 17.881 834 H ASP 38 H ASP 38 12.165 -1.304 20.669 835 HA ASP 38 HA ASP 38 10.486 -0.653 21.929 836 HB2 ASP 38 HB2 ASP 38 9.898 -3.124 21.793 837 HB3 ASP 38 HB3 ASP 38 10.531 -3.291 23.428 838 H GLU 39 H GLU 39 13.331 -0.333 22.833 839 HA GLU 39 HA GLU 39 13.008 0.363 25.695 840 HB2 GLU 39 HB2 GLU 39 15.103 -0.685 24.937 841 HB3 GLU 39 HB3 GLU 39 15.390 0.638 23.806 842 HG2 GLU 39 HG2 GLU 39 15.678 2.227 25.601 843 HG3 GLU 39 HG3 GLU 39 15.070 1.063 26.788 844 H GLU 40 H GLU 40 12.888 2.474 26.421 845 HA GLU 40 HA GLU 40 12.768 4.660 24.420 846 HB2 GLU 40 HB2 GLU 40 10.810 4.228 26.698 847 HB3 GLU 40 HB3 GLU 40 10.931 5.709 25.751 848 HG2 GLU 40 HG2 GLU 40 10.443 4.379 23.680 849 HG3 GLU 40 HG3 GLU 40 10.192 2.960 24.688 850 H HIS 41 H HIS 41 13.258 6.711 25.104 851 HA HIS 41 HA HIS 41 14.659 7.058 27.727 852 HB2 HIS 41 HB2 HIS 41 15.738 8.124 25.095 853 HB3 HIS 41 HB3 HIS 41 16.494 8.200 26.678 854 HD2 HIS 41 HD2 HIS 41 16.196 6.062 23.594 855 HE1 HIS 41 HE1 HIS 41 18.377 3.657 26.381 856 HE2 HIS 41 HE2 HIS 41 17.647 3.874 23.946 857 H ALA 42 H ALA 42 14.874 9.322 28.384 858 HA ALA 42 HA ALA 42 12.956 11.211 27.142 859 HB1 ALA 42 HB1 ALA 42 11.870 11.618 29.303 860 HB2 ALA 42 HB2 ALA 42 11.712 9.900 28.873 861 HB3 ALA 42 HB3 ALA 42 12.907 10.413 30.085 862 H PHE 43 H PHE 43 13.460 13.293 27.300 863 HA PHE 43 HA PHE 43 15.815 14.218 28.909 864 HB2 PHE 43 HB2 PHE 43 15.356 14.669 25.955 865 HB3 PHE 43 HB3 PHE 43 16.671 15.334 26.929 866 HD1 PHE 43 HD1 PHE 43 15.401 12.407 25.104 867 HD2 PHE 43 HD2 PHE 43 18.443 13.780 27.854 868 HE1 PHE 43 HE1 PHE 43 16.700 10.338 24.715 869 HE2 PHE 43 HE2 PHE 43 19.727 11.698 27.461 870 HZ PHE 43 HZ PHE 43 18.856 9.965 25.909 871 HA PRO 44 HA PRO 44 12.376 17.182 29.609 872 HB2 PRO 44 HB2 PRO 44 14.174 17.786 31.935 873 HB3 PRO 44 HB3 PRO 44 12.391 17.670 31.892 874 HG2 PRO 44 HG2 PRO 44 13.843 15.612 32.880 875 HG3 PRO 44 HG3 PRO 44 12.482 15.268 31.756 876 HD2 PRO 44 HD2 PRO 44 15.443 15.437 31.116 877 HD3 PRO 44 HD3 PRO 44 14.259 14.185 30.645 878 H GLY 45 H GLY 45 12.161 19.346 29.268 879 HA2 GLY 45 HA2 GLY 45 12.717 21.544 28.815 880 HA3 GLY 45 HA3 GLY 45 14.393 21.211 29.243 881 H LEU 46 H LEU 46 13.392 18.990 26.864 882 HA LEU 46 HA LEU 46 14.533 20.662 24.678 883 HB2 LEU 46 HB2 LEU 46 14.260 17.649 24.817 884 HB3 LEU 46 HB3 LEU 46 14.971 18.574 23.498 885 HG LEU 46 HG LEU 46 16.087 18.233 26.296 886 HD11 LEU 46 HD11 LEU 46 17.227 17.495 23.573 887 HD12 LEU 46 HD12 LEU 46 17.883 17.068 25.168 888 HD13 LEU 46 HD13 LEU 46 16.354 16.371 24.620 889 HD21 LEU 46 HD21 LEU 46 17.157 19.930 23.998 890 HD22 LEU 46 HD22 LEU 46 16.642 20.521 25.598 891 HD23 LEU 46 HD23 LEU 46 18.073 19.502 25.460 892 H ALA 47 H ALA 47 13.728 20.461 22.579 893 HA ALA 47 HA ALA 47 11.155 19.154 22.025 894 HB1 ALA 47 HB1 ALA 47 10.267 21.144 20.864 895 HB2 ALA 47 HB2 ALA 47 10.499 21.468 22.593 896 HB3 ALA 47 HB3 ALA 47 11.665 22.096 21.408 897 H ILE 48 H ILE 48 10.857 18.947 19.599 898 HA ILE 48 HA ILE 48 13.398 18.287 18.290 899 HB ILE 48 HB ILE 48 10.550 18.207 17.228 900 HG12 ILE 48 HG12 ILE 48 12.188 15.748 17.919 901 HG13 ILE 48 HG13 ILE 48 11.270 16.569 19.184 902 HG21 ILE 48 HG21 ILE 48 13.181 17.154 16.085 903 HG22 ILE 48 HG22 ILE 48 11.588 16.694 15.468 904 HG23 ILE 48 HG23 ILE 48 12.112 18.377 15.361 905 HD11 ILE 48 HD11 ILE 48 9.185 16.324 17.852 906 HD12 ILE 48 HD12 ILE 48 10.094 15.399 16.629 907 HD13 ILE 48 HD13 ILE 48 9.921 14.778 18.276 908 H GLY 49 H GLY 49 14.613 19.715 17.202 909 HA2 GLY 49 HA2 GLY 49 13.519 22.399 16.527 910 HA3 GLY 49 HA3 GLY 49 15.208 21.917 16.647 911 H ARG 50 H ARG 50 15.039 19.596 14.938 912 HA ARG 50 HA ARG 50 14.303 20.553 12.241 913 HB2 ARG 50 HB2 ARG 50 16.415 21.731 12.731 914 HB3 ARG 50 HB3 ARG 50 17.165 20.225 13.233 915 HG2 ARG 50 HG2 ARG 50 17.028 19.384 10.867 916 HG3 ARG 50 HG3 ARG 50 16.325 20.931 10.412 917 HD2 ARG 50 HD2 ARG 50 18.583 21.280 9.958 918 HD3 ARG 50 HD3 ARG 50 18.448 21.968 11.565 919 HE ARG 50 HE ARG 50 19.397 19.883 12.494 920 HH11 ARG 50 HH11 ARG 50 19.864 20.209 8.994 921 HH12 ARG 50 HH12 ARG 50 20.963 18.866 8.993 922 HH21 ARG 50 HH21 ARG 50 20.822 18.284 12.363 923 HH22 ARG 50 HH22 ARG 50 21.675 17.969 10.861 924 H VAL 51 H VAL 51 14.240 18.957 10.706 925 HA VAL 51 HA VAL 51 15.472 16.322 11.341 926 HB VAL 51 HB VAL 51 12.861 16.444 9.832 927 HG11 VAL 51 HG11 VAL 51 12.847 14.024 10.246 928 HG12 VAL 51 HG12 VAL 51 14.308 14.505 9.376 929 HG13 VAL 51 HG13 VAL 51 14.393 14.150 11.101 930 HG21 VAL 51 HG21 VAL 51 12.332 17.105 12.138 931 HG22 VAL 51 HG22 VAL 51 11.767 15.469 11.821 932 HG23 VAL 51 HG23 VAL 51 13.252 15.717 12.764 933 H ASP 52 H ASP 52 16.777 15.625 9.809 934 HA ASP 52 HA ASP 52 16.965 17.064 7.187 935 HB2 ASP 52 HB2 ASP 52 18.503 17.983 8.773 936 HB3 ASP 52 HB3 ASP 52 19.085 16.389 9.251 937 H LEU 53 H LEU 53 16.187 15.547 5.869 938 HA LEU 53 HA LEU 53 16.499 12.712 6.407 939 HB2 LEU 53 HB2 LEU 53 15.112 14.225 4.160 940 HB3 LEU 53 HB3 LEU 53 15.009 12.497 4.439 941 HG LEU 53 HG LEU 53 13.014 13.458 5.201 942 HD11 LEU 53 HD11 LEU 53 12.918 12.814 7.574 943 HD12 LEU 53 HD12 LEU 53 13.823 11.644 6.598 944 HD13 LEU 53 HD13 LEU 53 14.691 12.797 7.652 945 HD21 LEU 53 HD21 LEU 53 13.790 15.799 5.592 946 HD22 LEU 53 HD22 LEU 53 12.706 15.154 6.840 947 HD23 LEU 53 HD23 LEU 53 14.429 15.274 7.170 948 H ARG 54 H ARG 54 18.292 14.953 4.510 949 HA ARG 54 HA ARG 54 19.426 13.074 2.588 950 HB2 ARG 54 HB2 ARG 54 20.537 15.713 3.647 951 HB3 ARG 54 HB3 ARG 54 21.139 14.808 2.254 952 HG2 ARG 54 HG2 ARG 54 18.820 15.037 1.207 953 HG3 ARG 54 HG3 ARG 54 18.407 16.124 2.545 954 HD2 ARG 54 HD2 ARG 54 19.017 17.507 0.715 955 HD3 ARG 54 HD3 ARG 54 20.348 17.586 1.882 956 HE ARG 54 HE ARG 54 20.938 15.519 0.024 957 HH11 ARG 54 HH11 ARG 54 20.658 19.005 -0.047 958 HH12 ARG 54 HH12 ARG 54 21.715 19.154 -1.432 959 HH21 ARG 54 HH21 ARG 54 22.296 15.777 -1.719 960 HH22 ARG 54 HH22 ARG 54 22.623 17.378 -2.328 961 H SER 55 H SER 55 19.954 13.607 5.959 962 HA SER 55 HA SER 55 22.186 11.602 5.932 963 HB2 SER 55 HB2 SER 55 21.854 13.965 7.800 964 HB3 SER 55 HB3 SER 55 23.127 12.740 7.904 965 HG SER 55 HG SER 55 23.945 13.425 5.927 966 H GLY 56 H GLY 56 19.013 12.077 6.946 967 HA2 GLY 56 HA2 GLY 56 17.604 10.827 8.286 968 HA3 GLY 56 HA3 GLY 56 18.909 9.680 8.561 969 H VAL 57 H VAL 57 18.986 13.160 9.345 970 HA VAL 57 HA VAL 57 19.543 12.440 12.197 971 HB VAL 57 HB VAL 57 20.385 14.860 10.578 972 HG11 VAL 57 HG11 VAL 57 20.914 14.175 13.500 973 HG12 VAL 57 HG12 VAL 57 21.776 15.426 12.584 974 HG13 VAL 57 HG13 VAL 57 20.052 15.605 12.888 975 HG21 VAL 57 HG21 VAL 57 21.945 12.544 11.776 976 HG22 VAL 57 HG22 VAL 57 21.657 12.818 10.054 977 HG23 VAL 57 HG23 VAL 57 22.663 13.950 10.959 978 H ILE 58 H ILE 58 18.382 13.161 13.820 979 HA ILE 58 HA ILE 58 16.293 15.292 13.438 980 HB ILE 58 HB ILE 58 16.421 12.905 15.292 981 HG12 ILE 58 HG12 ILE 58 14.049 13.452 13.528 982 HG13 ILE 58 HG13 ILE 58 15.496 12.802 12.777 983 HG21 ILE 58 HG21 ILE 58 14.421 15.201 15.288 984 HG22 ILE 58 HG22 ILE 58 14.226 13.678 16.191 985 HG23 ILE 58 HG23 ILE 58 15.545 14.758 16.600 986 HD11 ILE 58 HD11 ILE 58 13.974 11.003 13.441 987 HD12 ILE 58 HD12 ILE 58 15.535 10.888 14.276 988 HD13 ILE 58 HD13 ILE 58 14.110 11.495 15.141 989 H SER 59 H SER 59 17.140 17.186 14.200 990 HA SER 59 HA SER 59 19.099 17.117 16.459 991 HB2 SER 59 HB2 SER 59 18.347 19.483 14.744 992 HB3 SER 59 HB3 SER 59 19.643 19.397 15.921 993 HG SER 59 HG SER 59 20.688 17.880 14.632 994 H LEU 60 H LEU 60 18.422 17.445 18.449 995 HA LEU 60 HA LEU 60 15.805 18.747 18.978 996 HB2 LEU 60 HB2 LEU 60 17.748 17.530 20.951 997 HB3 LEU 60 HB3 LEU 60 16.084 18.014 21.243 998 HG LEU 60 HG LEU 60 17.068 15.677 19.558 999 HD11 LEU 60 HD11 LEU 60 15.812 14.356 21.220 1000 HD12 LEU 60 HD12 LEU 60 17.064 15.332 21.990 1001 HD13 LEU 60 HD13 LEU 60 15.363 15.857 22.065 1002 HD21 LEU 60 HD21 LEU 60 15.132 16.546 18.379 1003 HD22 LEU 60 HD22 LEU 60 14.669 15.077 19.242 1004 HD23 LEU 60 HD23 LEU 60 14.212 16.672 19.896 1005 H ILE 61 H ILE 61 15.565 20.465 20.392 1006 HA ILE 61 HA ILE 61 17.894 22.220 20.967 1007 HB ILE 61 HB ILE 61 16.591 24.198 20.278 1008 HG12 ILE 61 HG12 ILE 61 14.823 23.735 18.426 1009 HG13 ILE 61 HG13 ILE 61 14.573 22.189 19.205 1010 HG21 ILE 61 HG21 ILE 61 18.338 23.192 18.851 1011 HG22 ILE 61 HG22 ILE 61 17.092 22.235 18.023 1012 HG23 ILE 61 HG23 ILE 61 17.086 24.008 17.909 1013 HD11 ILE 61 HD11 ILE 61 13.863 23.364 21.278 1014 HD12 ILE 61 HD12 ILE 61 14.271 24.924 20.530 1015 HD13 ILE 61 HD13 ILE 61 12.949 23.939 19.882 1016 H GLU 62 H GLU 62 17.510 23.794 22.635 1017 HA GLU 62 HA GLU 62 15.954 22.798 24.859 1018 HB2 GLU 62 HB2 GLU 62 18.113 23.944 25.135 1019 HB3 GLU 62 HB3 GLU 62 17.446 25.402 24.414 1020 HG2 GLU 62 HG2 GLU 62 15.811 25.556 26.290 1021 HG3 GLU 62 HG3 GLU 62 16.539 24.122 27.019 1022 H GLU 63 H GLU 63 13.882 23.262 25.400 1023 HA GLU 63 HA GLU 63 12.249 24.555 23.416 1024 HB2 GLU 63 HB2 GLU 63 10.401 23.663 24.601 1025 HB3 GLU 63 HB3 GLU 63 11.693 22.498 24.629 1026 HG2 GLU 63 HG2 GLU 63 11.072 22.295 26.790 1027 HG3 GLU 63 HG3 GLU 63 12.258 23.588 26.994 1028 H GLN 64 H GLN 64 13.537 25.778 26.414 1029 HA GLN 64 HA GLN 64 12.547 28.459 25.718 1030 HB2 GLN 64 HB2 GLN 64 12.026 27.181 28.433 1031 HB3 GLN 64 HB3 GLN 64 12.084 28.919 28.197 1032 HG2 GLN 64 HG2 GLN 64 10.130 27.078 26.761 1033 HG3 GLN 64 HG3 GLN 64 9.782 28.004 28.207 1034 HE21 GLN 64 HE21 GLN 64 10.245 28.214 24.714 1035 HE22 GLN 64 HE22 GLN 64 9.751 29.904 24.580 1036 H ASN 65 H ASN 65 14.209 29.762 25.682 1037 HA ASN 65 HA ASN 65 16.768 28.967 26.909 1038 HB2 ASN 65 HB2 ASN 65 16.197 31.226 24.961 1039 HB3 ASN 65 HB3 ASN 65 17.756 30.497 25.327 1040 HD21 ASN 65 HD21 ASN 65 17.540 27.820 25.015 1041 HD22 ASN 65 HD22 ASN 65 16.832 27.451 23.442 1042 H ARG 66 H ARG 66 14.313 30.747 28.111 1043 HA ARG 66 HA ARG 66 15.526 33.159 29.046 1044 HB2 ARG 66 HB2 ARG 66 13.576 33.405 30.443 1045 HB3 ARG 66 HB3 ARG 66 13.107 32.874 28.837 1046 HG2 ARG 66 HG2 ARG 66 12.841 30.528 29.737 1047 HG3 ARG 66 HG3 ARG 66 13.230 31.143 31.345 1048 HD2 ARG 66 HD2 ARG 66 10.852 30.941 31.153 1049 HD3 ARG 66 HD3 ARG 66 11.245 32.648 31.242 1050 HE ARG 66 HE ARG 66 10.392 31.120 28.790 1051 HH11 ARG 66 HH11 ARG 66 9.856 35.062 28.976 1052 HH12 ARG 66 HH12 ARG 66 10.712 34.296 30.289 1053 HH21 ARG 66 HH21 ARG 66 9.117 33.872 27.278 1054 HH22 ARG 66 HH22 ARG 66 9.385 32.130 27.229 Start of MODEL 16 1 H1 GLY -3 H1 GLY -3 3.966 -3.570 -5.291 2 H2 GLY -3 H2 GLY -3 4.123 -1.940 -5.364 3 H3 GLY -3 H3 GLY -3 4.821 -2.771 -4.146 4 HA2 GLY -3 HA2 GLY -3 6.306 -3.899 -5.672 5 HA3 GLY -3 HA3 GLY -3 5.563 -2.980 -6.986 6 HA PRO -2 HA PRO -2 9.190 -0.428 -5.731 7 HB2 PRO -2 HB2 PRO -2 9.658 0.756 -8.151 8 HB3 PRO -2 HB3 PRO -2 10.168 -0.925 -7.776 9 HG2 PRO -2 HG2 PRO -2 7.663 -0.014 -9.231 10 HG3 PRO -2 HG3 PRO -2 8.828 -1.277 -9.730 11 HD2 PRO -2 HD2 PRO -2 6.514 -1.895 -8.453 12 HD3 PRO -2 HD3 PRO -2 8.020 -2.798 -8.109 13 H GLY -1 H GLY -1 9.569 1.890 -5.660 14 HA2 GLY -1 HA2 GLY -1 7.626 3.872 -6.368 15 HA3 GLY -1 HA3 GLY -1 7.444 3.411 -4.666 16 H SER 0 H SER 0 7.994 5.923 -4.890 17 HA SER 0 HA SER 0 10.635 6.825 -5.259 18 HB2 SER 0 HB2 SER 0 8.538 7.959 -3.382 19 HB3 SER 0 HB3 SER 0 9.955 8.812 -4.001 20 HG SER 0 HG SER 0 9.097 8.646 -6.091 21 H MET 1 H MET 1 12.450 6.734 -4.139 22 HA MET 1 HA MET 1 12.549 5.318 -1.567 23 HB2 MET 1 HB2 MET 1 14.335 5.705 -3.846 24 HB3 MET 1 HB3 MET 1 15.162 6.154 -2.361 25 HG2 MET 1 HG2 MET 1 13.688 3.541 -2.819 26 HG3 MET 1 HG3 MET 1 15.425 3.751 -2.976 27 HE1 MET 1 HE1 MET 1 16.699 4.200 0.669 28 HE2 MET 1 HE2 MET 1 17.139 3.942 -1.034 29 HE3 MET 1 HE3 MET 1 16.400 5.482 -0.531 30 H CYS 2 H CYS 2 13.563 6.020 0.279 31 HA CYS 2 HA CYS 2 14.150 7.355 1.974 32 HB2 CYS 2 HB2 CYS 2 15.997 7.690 0.230 33 HB3 CYS 2 HB3 CYS 2 15.278 9.269 -0.074 34 HG CYS 2 HG CYS 2 17.434 9.449 1.435 35 H MET 3 H MET 3 14.278 9.914 2.581 36 HA MET 3 HA MET 3 13.159 11.659 3.432 37 HB2 MET 3 HB2 MET 3 11.689 11.586 0.793 38 HB3 MET 3 HB3 MET 3 11.679 12.941 1.906 39 HG2 MET 3 HG2 MET 3 13.971 13.402 1.613 40 HG3 MET 3 HG3 MET 3 14.296 11.851 0.841 41 HE1 MET 3 HE1 MET 3 13.112 12.069 -2.712 42 HE2 MET 3 HE2 MET 3 14.155 11.272 -1.521 43 HE3 MET 3 HE3 MET 3 12.384 11.237 -1.322 44 H ALA 4 H ALA 4 10.886 12.724 3.690 45 HA ALA 4 HA ALA 4 8.840 10.777 4.613 46 HB1 ALA 4 HB1 ALA 4 10.307 11.272 6.530 47 HB2 ALA 4 HB2 ALA 4 10.096 13.021 6.265 48 HB3 ALA 4 HB3 ALA 4 8.722 12.018 6.771 49 H LYS 5 H LYS 5 6.820 12.025 5.257 50 HA LYS 5 HA LYS 5 6.483 14.576 3.722 51 HB2 LYS 5 HB2 LYS 5 4.123 14.243 3.629 52 HB3 LYS 5 HB3 LYS 5 4.946 12.866 2.896 53 HG2 LYS 5 HG2 LYS 5 4.487 11.469 4.865 54 HG3 LYS 5 HG3 LYS 5 3.789 12.857 5.717 55 HD2 LYS 5 HD2 LYS 5 2.031 13.063 3.982 56 HD3 LYS 5 HD3 LYS 5 2.697 11.651 3.136 57 HE2 LYS 5 HE2 LYS 5 2.235 10.217 5.071 58 HE3 LYS 5 HE3 LYS 5 1.699 11.614 6.013 59 HZ1 LYS 5 HZ1 LYS 5 -0.185 10.404 5.058 60 HZ2 LYS 5 HZ2 LYS 5 -0.123 11.935 4.483 61 HZ3 LYS 5 HZ3 LYS 5 0.356 10.669 3.541 62 H VAL 6 H VAL 6 5.738 16.350 4.689 63 HA VAL 6 HA VAL 6 5.526 16.370 7.677 64 HB VAL 6 HB VAL 6 5.993 18.661 5.759 65 HG11 VAL 6 HG11 VAL 6 4.716 19.489 7.671 66 HG12 VAL 6 HG12 VAL 6 5.799 18.632 8.787 67 HG13 VAL 6 HG13 VAL 6 6.398 20.001 7.830 68 HG21 VAL 6 HG21 VAL 6 7.976 17.196 6.122 69 HG22 VAL 6 HG22 VAL 6 8.208 18.805 6.814 70 HG23 VAL 6 HG23 VAL 6 7.822 17.439 7.869 71 H VAL 7 H VAL 7 3.615 16.898 8.656 72 HA VAL 7 HA VAL 7 1.324 17.833 6.984 73 HB VAL 7 HB VAL 7 1.104 15.447 7.147 74 HG11 VAL 7 HG11 VAL 7 1.018 15.771 10.177 75 HG12 VAL 7 HG12 VAL 7 0.679 14.285 9.260 76 HG13 VAL 7 HG13 VAL 7 2.306 14.958 9.237 77 HG21 VAL 7 HG21 VAL 7 -0.970 16.736 8.981 78 HG22 VAL 7 HG22 VAL 7 -0.954 16.890 7.219 79 HG23 VAL 7 HG23 VAL 7 -1.147 15.300 7.961 80 H LEU 8 H LEU 8 -0.123 19.190 7.882 81 HA LEU 8 HA LEU 8 0.111 20.000 10.707 82 HB2 LEU 8 HB2 LEU 8 0.624 22.297 10.196 83 HB3 LEU 8 HB3 LEU 8 1.832 21.238 9.489 84 HG LEU 8 HG LEU 8 0.245 21.501 7.306 85 HD11 LEU 8 HD11 LEU 8 -0.096 24.143 8.804 86 HD12 LEU 8 HD12 LEU 8 -0.505 23.842 7.110 87 HD13 LEU 8 HD13 LEU 8 -1.405 23.019 8.378 88 HD21 LEU 8 HD21 LEU 8 2.298 23.551 8.232 89 HD22 LEU 8 HD22 LEU 8 2.641 22.015 7.403 90 HD23 LEU 8 HD23 LEU 8 1.755 23.295 6.561 91 H THR 9 H THR 9 -1.546 21.434 11.416 92 HA THR 9 HA THR 9 -4.080 21.266 9.828 93 HB THR 9 HB THR 9 -3.895 21.515 12.842 94 HG1 THR 9 HG1 THR 9 -3.054 19.548 12.236 95 HG21 THR 9 HG21 THR 9 -6.159 20.702 10.960 96 HG22 THR 9 HG22 THR 9 -6.229 20.665 12.734 97 HG23 THR 9 HG23 THR 9 -6.057 22.217 11.895 98 H LYS 10 H LYS 10 -5.141 23.066 9.346 99 HA LYS 10 HA LYS 10 -3.939 25.708 9.915 100 HB2 LYS 10 HB2 LYS 10 -6.358 24.886 8.220 101 HB3 LYS 10 HB3 LYS 10 -5.629 26.508 8.292 102 HG2 LYS 10 HG2 LYS 10 -3.458 25.490 7.476 103 HG3 LYS 10 HG3 LYS 10 -4.325 23.981 7.190 104 HD2 LYS 10 HD2 LYS 10 -4.984 26.698 5.948 105 HD3 LYS 10 HD3 LYS 10 -4.088 25.400 5.150 106 HE2 LYS 10 HE2 LYS 10 -6.063 23.922 5.263 107 HE3 LYS 10 HE3 LYS 10 -6.967 25.160 6.147 108 HZ1 LYS 10 HZ1 LYS 10 -5.926 25.467 3.384 109 HZ2 LYS 10 HZ2 LYS 10 -7.491 25.197 3.777 110 HZ3 LYS 10 HZ3 LYS 10 -6.781 26.597 4.209 111 H ALA 11 H ALA 11 -5.223 27.531 10.604 112 HA ALA 11 HA ALA 11 -6.898 27.118 12.895 113 HB1 ALA 11 HB1 ALA 11 -5.514 29.132 12.498 114 HB2 ALA 11 HB2 ALA 11 -6.521 29.564 11.105 115 HB3 ALA 11 HB3 ALA 11 -7.212 29.572 12.737 116 H ASP 12 H ASP 12 -7.655 27.202 9.498 117 HA ASP 12 HA ASP 12 -10.524 27.590 9.684 118 HB2 ASP 12 HB2 ASP 12 -8.836 26.265 7.523 119 HB3 ASP 12 HB3 ASP 12 -10.511 26.763 7.347 120 H GLY 13 H GLY 13 -8.631 24.964 10.721 121 HA2 GLY 13 HA2 GLY 13 -9.334 22.952 11.646 122 HA3 GLY 13 HA3 GLY 13 -10.926 23.133 10.904 123 H GLY 14 H GLY 14 -9.021 23.660 8.332 124 HA2 GLY 14 HA2 GLY 14 -9.075 20.907 7.285 125 HA3 GLY 14 HA3 GLY 14 -8.534 22.360 6.442 126 H ARG 15 H ARG 15 -7.089 20.150 6.068 127 HA ARG 15 HA ARG 15 -4.546 20.615 7.588 128 HB2 ARG 15 HB2 ARG 15 -5.853 17.960 6.900 129 HB3 ARG 15 HB3 ARG 15 -4.117 18.100 7.208 130 HG2 ARG 15 HG2 ARG 15 -4.562 19.132 9.395 131 HG3 ARG 15 HG3 ARG 15 -6.305 18.943 9.155 132 HD2 ARG 15 HD2 ARG 15 -6.138 16.554 9.214 133 HD3 ARG 15 HD3 ARG 15 -4.359 16.609 9.126 134 HE ARG 15 HE ARG 15 -4.890 18.100 11.360 135 HH11 ARG 15 HH11 ARG 15 -5.708 14.784 10.546 136 HH12 ARG 15 HH12 ARG 15 -5.699 14.293 12.216 137 HH21 ARG 15 HH21 ARG 15 -4.905 17.428 13.410 138 HH22 ARG 15 HH22 ARG 15 -5.254 15.763 13.815 139 H VAL 16 H VAL 16 -2.641 20.221 6.608 140 HA VAL 16 HA VAL 16 -2.567 20.209 3.622 141 HB VAL 16 HB VAL 16 -1.090 22.152 5.435 142 HG11 VAL 16 HG11 VAL 16 -0.941 21.829 2.416 143 HG12 VAL 16 HG12 VAL 16 -0.234 23.164 3.350 144 HG13 VAL 16 HG13 VAL 16 0.371 21.527 3.577 145 HG21 VAL 16 HG21 VAL 16 -2.329 23.888 4.159 146 HG22 VAL 16 HG22 VAL 16 -3.223 22.614 3.309 147 HG23 VAL 16 HG23 VAL 16 -3.425 22.843 5.066 148 H GLU 17 H GLU 17 -0.851 19.164 2.715 149 HA GLU 17 HA GLU 17 1.165 17.879 4.498 150 HB2 GLU 17 HB2 GLU 17 -0.397 16.585 2.234 151 HB3 GLU 17 HB3 GLU 17 1.032 15.875 3.014 152 HG2 GLU 17 HG2 GLU 17 -0.122 15.838 5.171 153 HG3 GLU 17 HG3 GLU 17 -1.571 16.553 4.453 154 H ILE 18 H ILE 18 3.201 17.744 3.738 155 HA ILE 18 HA ILE 18 3.850 18.666 0.971 156 HB ILE 18 HB ILE 18 5.385 19.434 3.494 157 HG12 ILE 18 HG12 ILE 18 4.739 21.816 2.386 158 HG13 ILE 18 HG13 ILE 18 3.335 20.914 1.836 159 HG21 ILE 18 HG21 ILE 18 6.860 19.088 1.549 160 HG22 ILE 18 HG22 ILE 18 5.843 20.156 0.565 161 HG23 ILE 18 HG23 ILE 18 6.747 20.802 1.948 162 HD11 ILE 18 HD11 ILE 18 2.900 20.335 4.290 163 HD12 ILE 18 HD12 ILE 18 4.299 21.343 4.701 164 HD13 ILE 18 HD13 ILE 18 2.872 22.065 3.935 165 H GLY 19 H GLY 19 4.352 16.795 0.054 166 HA2 GLY 19 HA2 GLY 19 5.716 14.606 1.441 167 HA3 GLY 19 HA3 GLY 19 5.206 14.638 -0.244 168 H ASP 20 H ASP 20 7.633 13.579 0.677 169 HA ASP 20 HA ASP 20 9.854 13.499 0.240 170 HB2 ASP 20 HB2 ASP 20 9.188 15.036 -2.263 171 HB3 ASP 20 HB3 ASP 20 10.515 13.908 -1.996 172 H VAL 21 H VAL 21 9.580 15.357 2.191 173 HA VAL 21 HA VAL 21 11.049 17.785 1.492 174 HB VAL 21 HB VAL 21 11.342 18.066 3.926 175 HG11 VAL 21 HG11 VAL 21 9.544 19.131 2.634 176 HG12 VAL 21 HG12 VAL 21 8.482 17.742 2.963 177 HG13 VAL 21 HG13 VAL 21 9.040 18.765 4.298 178 HG21 VAL 21 HG21 VAL 21 9.275 15.897 4.354 179 HG22 VAL 21 HG22 VAL 21 11.009 15.600 4.586 180 HG23 VAL 21 HG23 VAL 21 10.187 16.823 5.557 181 H LEU 22 H LEU 22 13.134 18.100 1.383 182 HA LEU 22 HA LEU 22 15.107 15.980 1.923 183 HB2 LEU 22 HB2 LEU 22 15.338 18.895 1.078 184 HB3 LEU 22 HB3 LEU 22 16.707 17.817 1.265 185 HG LEU 22 HG LEU 22 14.434 17.413 -0.732 186 HD11 LEU 22 HD11 LEU 22 16.077 18.096 -2.420 187 HD12 LEU 22 HD12 LEU 22 15.849 19.381 -1.233 188 HD13 LEU 22 HD13 LEU 22 17.300 18.363 -1.150 189 HD21 LEU 22 HD21 LEU 22 15.530 15.272 -0.107 190 HD22 LEU 22 HD22 LEU 22 15.922 15.736 -1.761 191 HD23 LEU 22 HD23 LEU 22 17.116 15.963 -0.471 192 H GLU 23 H GLU 23 13.829 18.906 3.429 193 HA GLU 23 HA GLU 23 15.031 18.242 6.005 194 HB2 GLU 23 HB2 GLU 23 16.825 19.493 4.762 195 HB3 GLU 23 HB3 GLU 23 15.717 20.851 4.588 196 HG2 GLU 23 HG2 GLU 23 15.639 21.089 7.069 197 HG3 GLU 23 HG3 GLU 23 16.742 19.708 7.228 198 H VAL 24 H VAL 24 14.057 19.238 7.734 199 HA VAL 24 HA VAL 24 12.099 21.402 7.345 200 HB VAL 24 HB VAL 24 10.706 19.470 7.315 201 HG11 VAL 24 HG11 VAL 24 11.917 18.585 9.949 202 HG12 VAL 24 HG12 VAL 24 10.514 17.876 9.139 203 HG13 VAL 24 HG13 VAL 24 12.088 17.788 8.360 204 HG21 VAL 24 HG21 VAL 24 10.462 20.636 10.124 205 HG22 VAL 24 HG22 VAL 24 9.916 21.467 8.667 206 HG23 VAL 24 HG23 VAL 24 9.177 19.930 9.131 207 H ARG 25 H ARG 25 12.083 22.909 8.973 208 HA ARG 25 HA ARG 25 13.723 22.402 11.421 209 HB2 ARG 25 HB2 ARG 25 14.068 25.103 10.177 210 HB3 ARG 25 HB3 ARG 25 15.140 24.152 11.185 211 HG2 ARG 25 HG2 ARG 25 16.310 24.226 9.229 212 HG3 ARG 25 HG3 ARG 25 15.480 22.680 9.022 213 HD2 ARG 25 HD2 ARG 25 13.729 23.841 7.664 214 HD3 ARG 25 HD3 ARG 25 14.605 25.367 7.863 215 HE ARG 25 HE ARG 25 16.512 23.694 6.789 216 HH11 ARG 25 HH11 ARG 25 13.336 24.743 5.711 217 HH12 ARG 25 HH12 ARG 25 13.749 24.439 4.026 218 HH21 ARG 25 HH21 ARG 25 16.852 23.211 4.619 219 HH22 ARG 25 HH22 ARG 25 15.622 23.702 3.450 220 H ALA 26 H ALA 26 13.015 23.366 13.228 221 HA ALA 26 HA ALA 26 10.701 25.258 13.107 222 HB1 ALA 26 HB1 ALA 26 10.242 23.189 14.344 223 HB2 ALA 26 HB2 ALA 26 11.654 23.477 15.387 224 HB3 ALA 26 HB3 ALA 26 10.261 24.598 15.426 225 H GLU 27 H GLU 27 11.221 27.339 13.406 226 HA GLU 27 HA GLU 27 13.162 28.235 15.382 227 HB2 GLU 27 HB2 GLU 27 14.768 29.279 13.983 228 HB3 GLU 27 HB3 GLU 27 14.657 27.611 13.511 229 HG2 GLU 27 HG2 GLU 27 14.714 28.558 11.451 230 HG3 GLU 27 HG3 GLU 27 12.977 28.435 11.670 231 H GLY 28 H GLY 28 13.124 30.493 15.749 232 HA2 GLY 28 HA2 GLY 28 12.107 32.538 16.016 233 HA3 GLY 28 HA3 GLY 28 11.786 32.447 14.278 234 H GLY 29 H GLY 29 10.259 30.123 16.453 235 HA2 GLY 29 HA2 GLY 29 8.056 29.841 17.118 236 HA3 GLY 29 HA3 GLY 29 7.711 31.531 16.730 237 H ALA 30 H ALA 30 9.113 29.422 14.280 238 HA ALA 30 HA ALA 30 6.519 28.847 12.966 239 HB1 ALA 30 HB1 ALA 30 8.867 30.293 11.636 240 HB2 ALA 30 HB2 ALA 30 7.336 29.825 10.864 241 HB3 ALA 30 HB3 ALA 30 7.354 31.069 12.134 242 H VAL 31 H VAL 31 6.817 27.369 11.106 243 HA VAL 31 HA VAL 31 9.321 25.720 11.230 244 HB VAL 31 HB VAL 31 6.509 24.760 10.653 245 HG11 VAL 31 HG11 VAL 31 9.159 23.296 10.237 246 HG12 VAL 31 HG12 VAL 31 7.588 22.494 10.337 247 HG13 VAL 31 HG13 VAL 31 7.902 23.612 9.019 248 HG21 VAL 31 HG21 VAL 31 8.624 23.828 12.649 249 HG22 VAL 31 HG22 VAL 31 7.292 24.914 13.038 250 HG23 VAL 31 HG23 VAL 31 6.941 23.256 12.525 251 H ARG 32 H ARG 32 10.359 25.197 9.395 252 HA ARG 32 HA ARG 32 9.305 26.207 6.775 253 HB2 ARG 32 HB2 ARG 32 12.169 26.562 7.767 254 HB3 ARG 32 HB3 ARG 32 11.534 26.998 6.159 255 HG2 ARG 32 HG2 ARG 32 9.976 28.628 7.262 256 HG3 ARG 32 HG3 ARG 32 10.670 28.205 8.827 257 HD2 ARG 32 HD2 ARG 32 11.674 30.215 8.195 258 HD3 ARG 32 HD3 ARG 32 12.914 28.966 7.994 259 HE ARG 32 HE ARG 32 11.886 29.125 5.456 260 HH11 ARG 32 HH11 ARG 32 12.994 31.670 7.585 261 HH12 ARG 32 HH12 ARG 32 13.460 32.698 6.256 262 HH21 ARG 32 HH21 ARG 32 12.535 30.401 3.838 263 HH22 ARG 32 HH22 ARG 32 13.180 32.002 4.158 264 H VAL 33 H VAL 33 9.780 25.021 4.994 265 HA VAL 33 HA VAL 33 11.207 22.404 5.338 266 HB VAL 33 HB VAL 33 9.426 21.273 4.091 267 HG11 VAL 33 HG11 VAL 33 7.737 21.130 5.844 268 HG12 VAL 33 HG12 VAL 33 9.363 21.158 6.522 269 HG13 VAL 33 HG13 VAL 33 8.347 22.617 6.594 270 HG21 VAL 33 HG21 VAL 33 7.180 22.282 3.844 271 HG22 VAL 33 HG22 VAL 33 7.830 23.836 4.378 272 HG23 VAL 33 HG23 VAL 33 8.390 23.104 2.854 273 H THR 34 H THR 34 12.090 21.501 3.474 274 HA THR 34 HA THR 34 11.825 23.027 0.924 275 HB THR 34 HB THR 34 14.492 21.986 1.936 276 HG1 THR 34 HG1 THR 34 13.631 24.671 1.661 277 HG21 THR 34 HG21 THR 34 13.717 23.777 -0.420 278 HG22 THR 34 HG22 THR 34 15.380 23.412 0.086 279 HG23 THR 34 HG23 THR 34 14.350 22.110 -0.520 280 H THR 35 H THR 35 11.472 21.740 -0.808 281 HA THR 35 HA THR 35 11.218 18.832 -0.288 282 HB THR 35 HB THR 35 9.675 18.743 -2.064 283 HG1 THR 35 HG1 THR 35 9.201 20.620 -3.296 284 HG21 THR 35 HG21 THR 35 7.910 20.234 -1.369 285 HG22 THR 35 HG22 THR 35 8.819 19.727 0.066 286 HG23 THR 35 HG23 THR 35 9.069 21.353 -0.618 287 H LEU 36 H LEU 36 11.497 17.325 -2.030 288 HA LEU 36 HA LEU 36 13.968 16.971 -3.158 289 HB2 LEU 36 HB2 LEU 36 12.126 15.340 -2.905 290 HB3 LEU 36 HB3 LEU 36 11.205 16.174 -4.154 291 HG LEU 36 HG LEU 36 12.948 15.525 -5.837 292 HD11 LEU 36 HD11 LEU 36 14.547 13.707 -5.160 293 HD12 LEU 36 HD12 LEU 36 14.902 15.264 -4.383 294 HD13 LEU 36 HD13 LEU 36 14.077 13.988 -3.466 295 HD21 LEU 36 HD21 LEU 36 12.315 13.154 -5.912 296 HD22 LEU 36 HD22 LEU 36 11.736 13.241 -4.229 297 HD23 LEU 36 HD23 LEU 36 10.926 14.177 -5.511 298 H PHE 37 H PHE 37 11.367 18.927 -4.513 299 HA PHE 37 HA PHE 37 12.705 19.281 -7.113 300 HB2 PHE 37 HB2 PHE 37 10.065 20.372 -6.092 301 HB3 PHE 37 HB3 PHE 37 10.615 20.339 -7.762 302 HD1 PHE 37 HD1 PHE 37 11.090 18.047 -8.854 303 HD2 PHE 37 HD2 PHE 37 8.857 18.510 -5.185 304 HE1 PHE 37 HE1 PHE 37 10.161 15.751 -9.117 305 HE2 PHE 37 HE2 PHE 37 7.944 16.219 -5.447 306 HZ PHE 37 HZ PHE 37 8.601 14.831 -7.410 307 H ASP 38 H ASP 38 13.494 20.591 -4.330 308 HA ASP 38 HA ASP 38 14.434 22.432 -3.548 309 HB2 ASP 38 HB2 ASP 38 14.769 23.445 -6.376 310 HB3 ASP 38 HB3 ASP 38 15.626 23.990 -4.944 311 H GLU 39 H GLU 39 11.441 22.418 -4.197 312 HA GLU 39 HA GLU 39 10.795 25.301 -4.030 313 HB2 GLU 39 HB2 GLU 39 9.054 22.814 -3.845 314 HB3 GLU 39 HB3 GLU 39 8.472 24.463 -3.595 315 HG2 GLU 39 HG2 GLU 39 9.187 25.093 -5.858 316 HG3 GLU 39 HG3 GLU 39 9.847 23.479 -6.113 317 H GLU 40 H GLU 40 9.729 26.200 -2.190 318 HA GLU 40 HA GLU 40 10.480 25.002 0.435 319 HB2 GLU 40 HB2 GLU 40 12.322 26.499 -0.552 320 HB3 GLU 40 HB3 GLU 40 11.183 27.834 -0.380 321 HG2 GLU 40 HG2 GLU 40 11.114 26.802 2.163 322 HG3 GLU 40 HG3 GLU 40 12.724 26.305 1.687 323 H HIS 41 H HIS 41 9.205 25.568 2.149 324 HA HIS 41 HA HIS 41 7.058 27.607 1.809 325 HB2 HIS 41 HB2 HIS 41 6.461 24.837 2.876 326 HB3 HIS 41 HB3 HIS 41 5.343 26.163 2.630 327 HD2 HIS 41 HD2 HIS 41 7.110 23.306 0.800 328 HE1 HIS 41 HE1 HIS 41 4.356 24.997 -1.979 329 HE2 HIS 41 HE2 HIS 41 5.969 23.074 -1.561 330 H ALA 42 H ALA 42 6.126 28.336 3.793 331 HA ALA 42 HA ALA 42 7.577 27.711 6.289 332 HB1 ALA 42 HB1 ALA 42 7.966 30.105 6.735 333 HB2 ALA 42 HB2 ALA 42 8.806 29.579 5.256 334 HB3 ALA 42 HB3 ALA 42 7.301 30.520 5.142 335 H PHE 43 H PHE 43 6.439 27.964 8.124 336 HA PHE 43 HA PHE 43 3.545 28.672 7.955 337 HB2 PHE 43 HB2 PHE 43 4.692 26.151 9.187 338 HB3 PHE 43 HB3 PHE 43 2.997 26.584 8.993 339 HD1 PHE 43 HD1 PHE 43 5.717 24.764 7.630 340 HD2 PHE 43 HD2 PHE 43 2.205 26.972 6.468 341 HE1 PHE 43 HE1 PHE 43 5.716 23.603 5.440 342 HE2 PHE 43 HE2 PHE 43 2.220 25.832 4.262 343 HZ PHE 43 HZ PHE 43 3.983 24.155 3.737 344 HA PRO 44 HA PRO 44 5.206 30.697 11.739 345 HB2 PRO 44 HB2 PRO 44 2.768 32.361 11.207 346 HB3 PRO 44 HB3 PRO 44 4.390 32.892 11.738 347 HG2 PRO 44 HG2 PRO 44 3.649 33.211 9.161 348 HG3 PRO 44 HG3 PRO 44 5.295 32.577 9.532 349 HD2 PRO 44 HD2 PRO 44 2.807 31.006 8.775 350 HD3 PRO 44 HD3 PRO 44 4.464 30.878 8.112 351 H GLY 45 H GLY 45 4.600 30.488 13.857 352 HA2 GLY 45 HA2 GLY 45 3.231 30.148 15.707 353 HA3 GLY 45 HA3 GLY 45 1.844 29.821 14.665 354 H LEU 46 H LEU 46 4.376 27.907 13.556 355 HA LEU 46 HA LEU 46 3.429 25.566 15.125 356 HB2 LEU 46 HB2 LEU 46 4.656 25.636 12.354 357 HB3 LEU 46 HB3 LEU 46 4.125 24.196 13.216 358 HG LEU 46 HG LEU 46 2.338 26.435 12.177 359 HD11 LEU 46 HD11 LEU 46 2.474 23.485 11.456 360 HD12 LEU 46 HD12 LEU 46 1.473 24.734 10.690 361 HD13 LEU 46 HD13 LEU 46 3.239 24.779 10.526 362 HD21 LEU 46 HD21 LEU 46 1.322 25.621 14.245 363 HD22 LEU 46 HD22 LEU 46 0.445 24.978 12.864 364 HD23 LEU 46 HD23 LEU 46 1.569 23.928 13.746 365 H ALA 47 H ALA 47 4.809 23.856 15.534 366 HA ALA 47 HA ALA 47 7.731 24.110 15.256 367 HB1 ALA 47 HB1 ALA 47 8.121 23.374 17.578 368 HB2 ALA 47 HB2 ALA 47 7.289 24.944 17.547 369 HB3 ALA 47 HB3 ALA 47 6.375 23.467 17.911 370 H ILE 48 H ILE 48 8.771 21.900 15.507 371 HA ILE 48 HA ILE 48 7.123 19.818 14.248 372 HB ILE 48 HB ILE 48 9.962 19.697 15.308 373 HG12 ILE 48 HG12 ILE 48 9.228 19.763 12.362 374 HG13 ILE 48 HG13 ILE 48 9.377 21.272 13.257 375 HG21 ILE 48 HG21 ILE 48 9.012 17.442 15.189 376 HG22 ILE 48 HG22 ILE 48 8.368 17.759 13.563 377 HG23 ILE 48 HG23 ILE 48 10.114 17.649 13.818 378 HD11 ILE 48 HD11 ILE 48 11.574 19.188 12.925 379 HD12 ILE 48 HD12 ILE 48 11.497 20.800 12.195 380 HD13 ILE 48 HD13 ILE 48 11.694 20.645 13.940 381 H GLY 49 H GLY 49 5.861 18.406 15.281 382 HA2 GLY 49 HA2 GLY 49 5.971 18.248 18.263 383 HA3 GLY 49 HA3 GLY 49 4.607 17.859 17.213 384 H ARG 50 H ARG 50 5.951 16.112 15.381 385 HA ARG 50 HA ARG 50 6.848 13.788 17.014 386 HB2 ARG 50 HB2 ARG 50 4.349 13.918 17.125 387 HB3 ARG 50 HB3 ARG 50 4.293 13.827 15.371 388 HG2 ARG 50 HG2 ARG 50 5.225 11.557 15.398 389 HG3 ARG 50 HG3 ARG 50 5.402 11.646 17.154 390 HD2 ARG 50 HD2 ARG 50 2.893 12.076 17.294 391 HD3 ARG 50 HD3 ARG 50 2.822 11.783 15.543 392 HE ARG 50 HE ARG 50 4.102 9.605 17.032 393 HH11 ARG 50 HH11 ARG 50 0.897 10.757 16.129 394 HH12 ARG 50 HH12 ARG 50 0.206 9.179 16.386 395 HH21 ARG 50 HH21 ARG 50 3.232 7.779 17.320 396 HH22 ARG 50 HH22 ARG 50 1.514 7.471 17.029 397 H VAL 51 H VAL 51 7.927 12.260 15.912 398 HA VAL 51 HA VAL 51 8.084 12.352 12.927 399 HB VAL 51 HB VAL 51 10.489 12.112 14.776 400 HG11 VAL 51 HG11 VAL 51 10.247 12.101 11.741 401 HG12 VAL 51 HG12 VAL 51 11.774 12.287 12.605 402 HG13 VAL 51 HG13 VAL 51 10.842 10.798 12.774 403 HG21 VAL 51 HG21 VAL 51 9.729 14.449 14.712 404 HG22 VAL 51 HG22 VAL 51 11.243 14.251 13.839 405 HG23 VAL 51 HG23 VAL 51 9.717 14.405 12.934 406 H ASP 52 H ASP 52 7.481 10.407 12.205 407 HA ASP 52 HA ASP 52 8.052 7.954 13.848 408 HB2 ASP 52 HB2 ASP 52 5.674 8.637 13.852 409 HB3 ASP 52 HB3 ASP 52 5.624 8.451 12.093 410 H LEU 53 H LEU 53 9.626 6.879 12.957 411 HA LEU 53 HA LEU 53 10.339 7.195 10.134 412 HB2 LEU 53 HB2 LEU 53 11.664 5.614 12.388 413 HB3 LEU 53 HB3 LEU 53 12.330 5.894 10.793 414 HG LEU 53 HG LEU 53 13.468 7.339 12.161 415 HD11 LEU 53 HD11 LEU 53 12.944 9.594 11.399 416 HD12 LEU 53 HD12 LEU 53 12.698 8.425 10.086 417 HD13 LEU 53 HD13 LEU 53 11.309 9.110 10.967 418 HD21 LEU 53 HD21 LEU 53 10.957 8.504 13.390 419 HD22 LEU 53 HD22 LEU 53 12.036 7.309 14.153 420 HD23 LEU 53 HD23 LEU 53 12.629 8.920 13.758 421 H ARG 54 H ARG 54 8.420 4.970 11.879 422 HA ARG 54 HA ARG 54 8.809 2.621 10.144 423 HB2 ARG 54 HB2 ARG 54 6.461 3.358 11.935 424 HB3 ARG 54 HB3 ARG 54 6.809 1.777 11.282 425 HG2 ARG 54 HG2 ARG 54 8.654 1.413 12.707 426 HG3 ARG 54 HG3 ARG 54 8.809 3.110 13.161 427 HD2 ARG 54 HD2 ARG 54 6.443 1.350 13.902 428 HD3 ARG 54 HD3 ARG 54 7.820 1.725 14.949 429 HE ARG 54 HE ARG 54 6.383 4.062 13.835 430 HH11 ARG 54 HH11 ARG 54 5.197 5.340 15.136 431 HH12 ARG 54 HH12 ARG 54 5.378 5.178 16.886 432 HH21 ARG 54 HH21 ARG 54 6.981 2.167 16.757 433 HH22 ARG 54 HH22 ARG 54 6.184 3.379 17.746 434 H SER 55 H SER 55 6.544 5.308 10.390 435 HA SER 55 HA SER 55 5.063 4.536 7.963 436 HB2 SER 55 HB2 SER 55 3.984 5.383 10.086 437 HB3 SER 55 HB3 SER 55 4.731 6.958 9.781 438 HG SER 55 HG SER 55 2.774 5.576 8.235 439 H GLY 56 H GLY 56 7.462 6.979 8.904 440 HA2 GLY 56 HA2 GLY 56 8.806 8.302 7.535 441 HA3 GLY 56 HA3 GLY 56 7.886 7.832 6.106 442 H VAL 57 H VAL 57 6.840 9.274 9.235 443 HA VAL 57 HA VAL 57 5.656 11.593 7.750 444 HB VAL 57 HB VAL 57 4.269 9.877 9.842 445 HG11 VAL 57 HG11 VAL 57 2.272 11.298 9.326 446 HG12 VAL 57 HG12 VAL 57 3.553 12.180 10.158 447 HG13 VAL 57 HG13 VAL 57 3.323 12.402 8.409 448 HG21 VAL 57 HG21 VAL 57 2.660 9.430 7.996 449 HG22 VAL 57 HG22 VAL 57 3.726 10.317 6.877 450 HG23 VAL 57 HG23 VAL 57 4.271 8.812 7.636 451 H ILE 58 H ILE 58 5.725 13.500 8.658 452 HA ILE 58 HA ILE 58 6.802 13.876 11.427 453 HB ILE 58 HB ILE 58 7.349 15.399 8.847 454 HG12 ILE 58 HG12 ILE 58 9.200 13.912 10.753 455 HG13 ILE 58 HG13 ILE 58 8.677 13.323 9.183 456 HG21 ILE 58 HG21 ILE 58 8.734 16.951 10.232 457 HG22 ILE 58 HG22 ILE 58 7.036 17.052 10.620 458 HG23 ILE 58 HG23 ILE 58 8.124 16.142 11.695 459 HD11 ILE 58 HD11 ILE 58 10.874 14.130 8.874 460 HD12 ILE 58 HD12 ILE 58 9.804 15.333 8.123 461 HD13 ILE 58 HD13 ILE 58 10.531 15.646 9.723 462 H SER 59 H SER 59 5.267 14.760 12.712 463 HA SER 59 HA SER 59 3.029 16.307 11.473 464 HB2 SER 59 HB2 SER 59 3.073 15.177 14.276 465 HB3 SER 59 HB3 SER 59 1.699 15.842 13.385 466 HG SER 59 HG SER 59 1.738 14.064 12.020 467 H LEU 60 H LEU 60 2.859 18.414 11.799 468 HA LEU 60 HA LEU 60 4.592 19.783 13.780 469 HB2 LEU 60 HB2 LEU 60 2.741 20.996 11.724 470 HB3 LEU 60 HB3 LEU 60 3.984 21.812 12.667 471 HG LEU 60 HG LEU 60 4.377 19.825 10.395 472 HD11 LEU 60 HD11 LEU 60 5.508 21.753 9.337 473 HD12 LEU 60 HD12 LEU 60 3.853 22.170 9.773 474 HD13 LEU 60 HD13 LEU 60 5.191 22.732 10.780 475 HD21 LEU 60 HD21 LEU 60 6.832 20.206 10.682 476 HD22 LEU 60 HD22 LEU 60 6.496 21.048 12.209 477 HD23 LEU 60 HD23 LEU 60 6.129 19.320 12.025 478 H ILE 61 H ILE 61 3.807 21.235 15.287 479 HA ILE 61 HA ILE 61 0.932 21.129 16.048 480 HB ILE 61 HB ILE 61 1.549 20.862 18.424 481 HG12 ILE 61 HG12 ILE 61 3.777 19.618 18.855 482 HG13 ILE 61 HG13 ILE 61 4.377 20.381 17.382 483 HG21 ILE 61 HG21 ILE 61 1.802 18.468 18.359 484 HG22 ILE 61 HG22 ILE 61 0.743 18.995 17.044 485 HG23 ILE 61 HG23 ILE 61 2.415 18.524 16.694 486 HD11 ILE 61 HD11 ILE 61 5.022 21.544 19.467 487 HD12 ILE 61 HD12 ILE 61 4.073 22.596 18.410 488 HD13 ILE 61 HD13 ILE 61 3.311 21.855 19.831 489 H GLU 62 H GLU 62 0.317 22.832 17.589 490 HA GLU 62 HA GLU 62 1.288 25.442 16.818 491 HB2 GLU 62 HB2 GLU 62 -0.599 24.363 18.925 492 HB3 GLU 62 HB3 GLU 62 -0.141 26.048 18.956 493 HG2 GLU 62 HG2 GLU 62 -1.292 24.722 16.459 494 HG3 GLU 62 HG3 GLU 62 -2.302 25.412 17.726 495 H GLU 63 H GLU 63 2.985 26.566 17.542 496 HA GLU 63 HA GLU 63 4.699 25.584 19.651 497 HB2 GLU 63 HB2 GLU 63 6.100 27.432 19.154 498 HB3 GLU 63 HB3 GLU 63 5.458 26.803 17.659 499 HG2 GLU 63 HG2 GLU 63 5.083 28.938 17.122 500 HG3 GLU 63 HG3 GLU 63 3.625 28.778 18.072 501 H GLN 64 H GLN 64 1.840 27.366 19.799 502 HA GLN 64 HA GLN 64 2.334 28.253 22.590 503 HB2 GLN 64 HB2 GLN 64 0.192 29.152 20.638 504 HB3 GLN 64 HB3 GLN 64 0.502 29.846 22.245 505 HG2 GLN 64 HG2 GLN 64 2.812 30.487 21.445 506 HG3 GLN 64 HG3 GLN 64 2.349 29.930 19.835 507 HE21 GLN 64 HE21 GLN 64 3.073 32.151 19.342 508 HE22 GLN 64 HE22 GLN 64 1.850 33.435 19.416 509 H ASN 65 H ASN 65 1.415 25.675 21.322 510 HA ASN 65 HA ASN 65 -0.011 23.919 21.595 511 HB2 ASN 65 HB2 ASN 65 0.188 24.918 24.443 512 HB3 ASN 65 HB3 ASN 65 -0.199 23.261 23.953 513 HD21 ASN 65 HD21 ASN 65 1.553 22.273 22.358 514 HD22 ASN 65 HD22 ASN 65 3.205 22.604 22.852 515 H ARG 66 H ARG 66 -1.483 26.195 20.752 516 HA ARG 66 HA ARG 66 -4.018 26.481 22.135 517 HB2 ARG 66 HB2 ARG 66 -3.100 27.241 19.328 518 HB3 ARG 66 HB3 ARG 66 -4.677 27.660 20.015 519 HG2 ARG 66 HG2 ARG 66 -3.595 28.878 21.870 520 HG3 ARG 66 HG3 ARG 66 -2.006 28.492 21.222 521 HD2 ARG 66 HD2 ARG 66 -4.120 30.118 19.749 522 HD3 ARG 66 HD3 ARG 66 -2.797 30.791 20.713 523 HE ARG 66 HE ARG 66 -1.844 28.983 18.629 524 HH11 ARG 66 HH11 ARG 66 -2.766 32.323 19.135 525 HH12 ARG 66 HH12 ARG 66 -1.860 32.852 17.737 526 HH21 ARG 66 HH21 ARG 66 -0.793 29.645 16.997 527 HH22 ARG 66 HH22 ARG 66 -0.719 31.347 16.530 528 H1 GLY -3 H1 GLY -3 14.479 -3.118 -2.996 529 H2 GLY -3 H2 GLY -3 13.268 -3.547 -4.007 530 H3 GLY -3 H3 GLY -3 14.340 -4.674 -3.496 531 HA2 GLY -3 HA2 GLY -3 12.266 -4.942 -2.334 532 HA3 GLY -3 HA3 GLY -3 13.567 -4.471 -1.218 533 HA PRO -2 HA PRO -2 9.906 -1.694 -0.502 534 HB2 PRO -2 HB2 PRO -2 11.019 -2.023 2.280 535 HB3 PRO -2 HB3 PRO -2 9.308 -1.947 1.761 536 HG2 PRO -2 HG2 PRO -2 10.419 -4.333 2.355 537 HG3 PRO -2 HG3 PRO -2 9.410 -4.177 0.870 538 HD2 PRO -2 HD2 PRO -2 12.439 -4.104 1.103 539 HD3 PRO -2 HD3 PRO -2 11.409 -5.030 -0.032 540 H GLY -1 H GLY -1 9.866 0.530 -0.135 541 HA2 GLY -1 HA2 GLY -1 12.359 2.003 -0.365 542 HA3 GLY -1 HA3 GLY -1 10.747 2.696 -0.211 543 H SER 0 H SER 0 13.193 3.556 1.024 544 HA SER 0 HA SER 0 14.073 4.326 2.975 545 HB2 SER 0 HB2 SER 0 11.171 4.360 3.839 546 HB3 SER 0 HB3 SER 0 12.501 5.281 4.572 547 HG SER 0 HG SER 0 11.259 6.454 2.988 548 H MET 1 H MET 1 14.672 1.789 2.893 549 HA MET 1 HA MET 1 13.649 0.164 5.000 550 HB2 MET 1 HB2 MET 1 15.100 -1.509 4.191 551 HB3 MET 1 HB3 MET 1 14.540 -0.630 2.783 552 HG2 MET 1 HG2 MET 1 17.244 -0.268 4.146 553 HG3 MET 1 HG3 MET 1 16.957 -1.224 2.709 554 HE1 MET 1 HE1 MET 1 16.600 -0.391 0.341 555 HE2 MET 1 HE2 MET 1 15.151 0.540 0.763 556 HE3 MET 1 HE3 MET 1 16.461 1.311 -0.142 557 H CYS 2 H CYS 2 15.498 2.726 5.567 558 HA CYS 2 HA CYS 2 16.987 1.514 7.873 559 HB2 CYS 2 HB2 CYS 2 17.827 3.667 5.908 560 HB3 CYS 2 HB3 CYS 2 18.692 3.329 7.412 561 HG CYS 2 HG CYS 2 19.295 0.860 6.913 562 H MET 3 H MET 3 16.862 2.502 9.791 563 HA MET 3 HA MET 3 14.878 4.593 10.261 564 HB2 MET 3 HB2 MET 3 16.700 2.889 11.984 565 HB3 MET 3 HB3 MET 3 15.867 4.279 12.669 566 HG2 MET 3 HG2 MET 3 14.477 2.465 13.133 567 HG3 MET 3 HG3 MET 3 13.689 3.361 11.846 568 HE1 MET 3 HE1 MET 3 16.588 0.570 11.932 569 HE2 MET 3 HE2 MET 3 15.306 0.074 13.070 570 HE3 MET 3 HE3 MET 3 15.596 -0.859 11.588 571 H ALA 4 H ALA 4 15.286 6.486 11.547 572 HA ALA 4 HA ALA 4 17.570 8.093 10.704 573 HB1 ALA 4 HB1 ALA 4 16.360 9.863 11.936 574 HB2 ALA 4 HB2 ALA 4 15.259 8.971 10.883 575 HB3 ALA 4 HB3 ALA 4 15.287 8.658 12.646 576 H LYS 5 H LYS 5 18.462 9.554 12.568 577 HA LYS 5 HA LYS 5 18.911 8.135 15.144 578 HB2 LYS 5 HB2 LYS 5 21.229 8.861 15.238 579 HB3 LYS 5 HB3 LYS 5 20.960 7.757 13.886 580 HG2 LYS 5 HG2 LYS 5 20.973 9.618 12.282 581 HG3 LYS 5 HG3 LYS 5 21.126 10.803 13.586 582 HD2 LYS 5 HD2 LYS 5 23.197 8.623 13.047 583 HD3 LYS 5 HD3 LYS 5 23.268 10.248 12.344 584 HE2 LYS 5 HE2 LYS 5 23.328 11.266 14.573 585 HE3 LYS 5 HE3 LYS 5 23.174 9.685 15.330 586 HZ1 LYS 5 HZ1 LYS 5 25.481 10.354 15.305 587 HZ2 LYS 5 HZ2 LYS 5 25.317 9.074 14.313 588 HZ3 LYS 5 HZ3 LYS 5 25.471 10.570 13.676 589 H VAL 6 H VAL 6 19.199 9.501 16.940 590 HA VAL 6 HA VAL 6 18.259 12.325 16.567 591 HB VAL 6 HB VAL 6 18.075 10.767 19.151 592 HG11 VAL 6 HG11 VAL 6 16.345 12.472 19.692 593 HG12 VAL 6 HG12 VAL 6 17.945 13.175 19.470 594 HG13 VAL 6 HG13 VAL 6 16.728 13.314 18.187 595 HG21 VAL 6 HG21 VAL 6 15.645 10.512 18.669 596 HG22 VAL 6 HG22 VAL 6 15.957 11.058 16.999 597 HG23 VAL 6 HG23 VAL 6 16.676 9.550 17.613 598 H VAL 7 H VAL 7 19.424 14.018 17.492 599 HA VAL 7 HA VAL 7 21.677 13.391 19.308 600 HB VAL 7 HB VAL 7 22.702 13.488 17.118 601 HG11 VAL 7 HG11 VAL 7 21.132 14.969 15.915 602 HG12 VAL 7 HG12 VAL 7 21.668 16.358 16.884 603 HG13 VAL 7 HG13 VAL 7 22.797 15.546 15.785 604 HG21 VAL 7 HG21 VAL 7 24.452 15.049 17.557 605 HG22 VAL 7 HG22 VAL 7 23.431 16.046 18.605 606 HG23 VAL 7 HG23 VAL 7 23.915 14.425 19.123 607 H LEU 8 H LEU 8 22.185 14.890 20.794 608 HA LEU 8 HA LEU 8 21.003 17.568 20.862 609 HB2 LEU 8 HB2 LEU 8 19.799 17.244 22.968 610 HB3 LEU 8 HB3 LEU 8 19.204 16.144 21.749 611 HG LEU 8 HG LEU 8 21.129 14.560 22.967 612 HD11 LEU 8 HD11 LEU 8 19.875 16.268 25.161 613 HD12 LEU 8 HD12 LEU 8 20.788 14.765 25.405 614 HD13 LEU 8 HD13 LEU 8 21.601 16.190 24.764 615 HD21 LEU 8 HD21 LEU 8 18.246 14.812 23.858 616 HD22 LEU 8 HD22 LEU 8 18.817 13.918 22.432 617 HD23 LEU 8 HD23 LEU 8 19.324 13.405 24.046 618 H THR 9 H THR 9 21.733 18.811 22.756 619 HA THR 9 HA THR 9 24.295 17.840 23.982 620 HB THR 9 HB THR 9 23.640 20.751 23.457 621 HG1 THR 9 HG1 THR 9 23.993 19.692 21.506 622 HG21 THR 9 HG21 THR 9 26.081 21.011 23.904 623 HG22 THR 9 HG22 THR 9 25.230 20.386 25.314 624 HG23 THR 9 HG23 THR 9 26.193 19.287 24.292 625 H LYS 10 H LYS 10 24.278 17.703 26.157 626 HA LYS 10 HA LYS 10 21.878 18.349 27.702 627 HB2 LYS 10 HB2 LYS 10 24.634 17.319 28.489 628 HB3 LYS 10 HB3 LYS 10 23.272 17.465 29.600 629 HG2 LYS 10 HG2 LYS 10 21.951 15.914 28.097 630 HG3 LYS 10 HG3 LYS 10 23.434 15.612 27.186 631 HD2 LYS 10 HD2 LYS 10 23.101 15.185 30.190 632 HD3 LYS 10 HD3 LYS 10 22.926 13.906 28.985 633 HE2 LYS 10 HE2 LYS 10 25.216 13.948 28.390 634 HE3 LYS 10 HE3 LYS 10 25.487 15.527 29.141 635 HZ1 LYS 10 HZ1 LYS 10 24.834 13.087 30.689 636 HZ2 LYS 10 HZ2 LYS 10 26.342 13.679 30.504 637 HZ3 LYS 10 HZ3 LYS 10 25.220 14.566 31.301 638 H ALA 11 H ALA 11 21.923 19.534 29.730 639 HA ALA 11 HA ALA 11 23.129 22.155 29.738 640 HB1 ALA 11 HB1 ALA 11 21.986 20.449 31.998 641 HB2 ALA 11 HB2 ALA 11 22.331 22.189 32.088 642 HB3 ALA 11 HB3 ALA 11 21.080 21.594 30.979 643 H ASP 12 H ASP 12 24.367 19.010 30.706 644 HA ASP 12 HA ASP 12 26.654 19.864 32.259 645 HB2 ASP 12 HB2 ASP 12 26.273 17.384 30.533 646 HB3 ASP 12 HB3 ASP 12 27.501 17.602 31.778 647 H GLY 13 H GLY 13 25.984 20.329 28.930 648 HA2 GLY 13 HA2 GLY 13 27.275 21.220 27.238 649 HA3 GLY 13 HA3 GLY 13 28.733 21.044 28.217 650 H GLY 14 H GLY 14 27.512 18.034 28.449 651 HA2 GLY 14 HA2 GLY 14 29.158 16.901 26.290 652 HA3 GLY 14 HA3 GLY 14 28.288 16.015 27.547 653 H ARG 15 H ARG 15 28.428 15.754 24.527 654 HA ARG 15 HA ARG 15 25.606 16.142 23.696 655 HB2 ARG 15 HB2 ARG 15 28.047 15.143 22.181 656 HB3 ARG 15 HB3 ARG 15 26.404 15.256 21.507 657 HG2 ARG 15 HG2 ARG 15 26.362 17.682 22.071 658 HG3 ARG 15 HG3 ARG 15 28.057 17.601 22.561 659 HD2 ARG 15 HD2 ARG 15 26.930 16.965 19.799 660 HD3 ARG 15 HD3 ARG 15 27.739 18.463 20.247 661 HE ARG 15 HE ARG 15 28.963 15.853 19.669 662 HH11 ARG 15 HH11 ARG 15 29.605 18.971 21.144 663 HH12 ARG 15 HH12 ARG 15 31.336 18.775 20.990 664 HH21 ARG 15 HH21 ARG 15 31.156 15.677 19.528 665 HH22 ARG 15 HH22 ARG 15 32.178 16.976 20.075 666 H VAL 16 H VAL 16 24.283 14.541 22.943 667 HA VAL 16 HA VAL 16 24.864 11.713 23.692 668 HB VAL 16 HB VAL 16 22.352 13.264 24.399 669 HG11 VAL 16 HG11 VAL 16 21.530 11.158 25.419 670 HG12 VAL 16 HG12 VAL 16 21.663 11.034 23.667 671 HG13 VAL 16 HG13 VAL 16 22.902 10.284 24.701 672 HG21 VAL 16 HG21 VAL 16 24.177 13.585 26.025 673 HG22 VAL 16 HG22 VAL 16 22.875 12.618 26.718 674 HG23 VAL 16 HG23 VAL 16 24.364 11.821 26.169 675 H GLU 17 H GLU 17 24.134 10.231 22.278 676 HA GLU 17 HA GLU 17 22.516 11.088 19.930 677 HB2 GLU 17 HB2 GLU 17 25.110 9.506 19.803 678 HB3 GLU 17 HB3 GLU 17 24.003 9.770 18.458 679 HG2 GLU 17 HG2 GLU 17 24.368 12.212 18.619 680 HG3 GLU 17 HG3 GLU 17 25.490 11.981 19.959 681 H ILE 18 H ILE 18 21.155 9.570 19.086 682 HA ILE 18 HA ILE 18 21.077 6.814 20.276 683 HB ILE 18 HB ILE 18 18.765 8.720 19.883 684 HG12 ILE 18 HG12 ILE 18 19.424 7.253 22.455 685 HG13 ILE 18 HG13 ILE 18 20.250 8.761 22.069 686 HG21 ILE 18 HG21 ILE 18 18.015 6.514 19.158 687 HG22 ILE 18 HG22 ILE 18 18.725 5.759 20.600 688 HG23 ILE 18 HG23 ILE 18 17.315 6.832 20.736 689 HD11 ILE 18 HD11 ILE 18 18.162 9.981 21.909 690 HD12 ILE 18 HD12 ILE 18 17.235 8.500 22.272 691 HD13 ILE 18 HD13 ILE 18 18.324 9.169 23.481 692 H GLY 19 H GLY 19 21.480 5.447 18.656 693 HA2 GLY 19 HA2 GLY 19 20.866 6.105 15.846 694 HA3 GLY 19 HA3 GLY 19 21.728 4.696 16.439 695 H ASP 20 H ASP 20 19.741 4.713 14.444 696 HA ASP 20 HA ASP 20 17.983 3.565 13.696 697 HB2 ASP 20 HB2 ASP 20 18.847 1.600 15.808 698 HB3 ASP 20 HB3 ASP 20 17.859 1.226 14.393 699 H VAL 21 H VAL 21 16.939 5.530 15.120 700 HA VAL 21 HA VAL 21 15.043 4.629 17.130 701 HB VAL 21 HB VAL 21 16.110 6.812 17.266 702 HG11 VAL 21 HG11 VAL 21 16.208 7.583 14.979 703 HG12 VAL 21 HG12 VAL 21 14.434 7.599 14.851 704 HG13 VAL 21 HG13 VAL 21 15.270 8.727 15.928 705 HG21 VAL 21 HG21 VAL 21 13.914 6.364 18.355 706 HG22 VAL 21 HG22 VAL 21 14.246 8.059 18.000 707 HG23 VAL 21 HG23 VAL 21 13.115 7.152 16.973 708 H LEU 22 H LEU 22 12.858 4.290 17.018 709 HA LEU 22 HA LEU 22 11.626 4.002 14.311 710 HB2 LEU 22 HB2 LEU 22 10.706 3.138 17.080 711 HB3 LEU 22 HB3 LEU 22 9.802 2.897 15.598 712 HG LEU 22 HG LEU 22 12.494 1.628 16.274 713 HD11 LEU 22 HD11 LEU 22 11.098 -0.460 16.272 714 HD12 LEU 22 HD12 LEU 22 10.628 0.689 17.547 715 HD13 LEU 22 HD13 LEU 22 9.653 0.526 16.062 716 HD21 LEU 22 HD21 LEU 22 12.155 0.264 14.251 717 HD22 LEU 22 HD22 LEU 22 10.711 1.222 13.837 718 HD23 LEU 22 HD23 LEU 22 12.318 1.968 13.838 719 H GLU 23 H GLU 23 11.186 5.809 17.352 720 HA GLU 23 HA GLU 23 9.490 7.758 15.939 721 HB2 GLU 23 HB2 GLU 23 7.898 6.058 16.636 722 HB3 GLU 23 HB3 GLU 23 8.484 6.136 18.306 723 HG2 GLU 23 HG2 GLU 23 7.673 8.430 18.537 724 HG3 GLU 23 HG3 GLU 23 7.302 8.511 16.813 725 H VAL 24 H VAL 24 9.444 9.775 16.823 726 HA VAL 24 HA VAL 24 10.602 10.264 19.507 727 HB VAL 24 HB VAL 24 11.269 12.035 17.159 728 HG11 VAL 24 HG11 VAL 24 11.401 13.144 19.339 729 HG12 VAL 24 HG12 VAL 24 12.462 11.859 19.950 730 HG13 VAL 24 HG13 VAL 24 13.009 12.932 18.651 731 HG21 VAL 24 HG21 VAL 24 13.574 11.173 17.211 732 HG22 VAL 24 HG22 VAL 24 13.016 9.853 18.261 733 HG23 VAL 24 HG23 VAL 24 12.393 9.997 16.608 734 H ARG 25 H ARG 25 9.534 11.826 20.647 735 HA ARG 25 HA ARG 25 7.382 13.463 19.330 736 HB2 ARG 25 HB2 ARG 25 7.104 11.946 21.963 737 HB3 ARG 25 HB3 ARG 25 5.887 12.982 21.213 738 HG2 ARG 25 HG2 ARG 25 5.729 11.384 19.307 739 HG3 ARG 25 HG3 ARG 25 6.927 10.346 20.104 740 HD2 ARG 25 HD2 ARG 25 5.384 10.210 22.092 741 HD3 ARG 25 HD3 ARG 25 4.162 11.092 21.147 742 HE ARG 25 HE ARG 25 4.843 8.958 19.514 743 HH11 ARG 25 HH11 ARG 25 3.420 9.182 22.705 744 HH12 ARG 25 HH12 ARG 25 2.828 7.545 22.640 745 HH21 ARG 25 HH21 ARG 25 4.304 6.835 19.596 746 HH22 ARG 25 HH22 ARG 25 3.261 6.261 20.889 747 H ALA 26 H ALA 26 7.240 15.510 20.022 748 HA ALA 26 HA ALA 26 8.751 16.417 22.441 749 HB1 ALA 26 HB1 ALA 26 7.296 18.007 20.289 750 HB2 ALA 26 HB2 ALA 26 8.165 18.680 21.678 751 HB3 ALA 26 HB3 ALA 26 9.047 17.798 20.419 752 H GLU 27 H GLU 27 7.642 16.439 24.313 753 HA GLU 27 HA GLU 27 4.690 16.694 24.415 754 HB2 GLU 27 HB2 GLU 27 5.198 14.316 23.753 755 HB3 GLU 27 HB3 GLU 27 6.121 14.145 25.253 756 HG2 GLU 27 HG2 GLU 27 4.029 14.656 26.541 757 HG3 GLU 27 HG3 GLU 27 3.157 14.845 25.013 758 H GLY 28 H GLY 28 4.100 17.730 26.257 759 HA2 GLY 28 HA2 GLY 28 4.060 18.481 28.419 760 HA3 GLY 28 HA3 GLY 28 4.913 16.994 28.835 761 H GLY 29 H GLY 29 6.377 19.500 26.777 762 HA2 GLY 29 HA2 GLY 29 8.111 21.014 27.177 763 HA3 GLY 29 HA3 GLY 29 7.971 20.733 28.918 764 H ALA 30 H ALA 30 8.342 17.919 26.895 765 HA ALA 30 HA ALA 30 11.288 17.778 27.241 766 HB1 ALA 30 HB1 ALA 30 11.045 15.476 28.110 767 HB2 ALA 30 HB2 ALA 30 10.142 16.593 29.154 768 HB3 ALA 30 HB3 ALA 30 9.276 15.584 27.979 769 H VAL 31 H VAL 31 12.228 16.006 25.928 770 HA VAL 31 HA VAL 31 10.518 15.159 23.617 771 HB VAL 31 HB VAL 31 13.515 15.516 23.659 772 HG11 VAL 31 HG11 VAL 31 13.137 13.475 22.432 773 HG12 VAL 31 HG12 VAL 31 11.727 14.169 21.581 774 HG13 VAL 31 HG13 VAL 31 13.361 14.748 21.247 775 HG21 VAL 31 HG21 VAL 31 13.043 17.073 21.814 776 HG22 VAL 31 HG22 VAL 31 11.308 16.661 21.877 777 HG23 VAL 31 HG23 VAL 31 12.078 17.519 23.212 778 H ARG 32 H ARG 32 10.211 13.073 23.239 779 HA ARG 32 HA ARG 32 11.505 11.002 24.984 780 HB2 ARG 32 HB2 ARG 32 8.545 11.416 24.383 781 HB3 ARG 32 HB3 ARG 32 9.202 9.909 25.062 782 HG2 ARG 32 HG2 ARG 32 9.973 11.025 27.054 783 HG3 ARG 32 HG3 ARG 32 9.607 12.624 26.389 784 HD2 ARG 32 HD2 ARG 32 7.210 12.090 26.318 785 HD3 ARG 32 HD3 ARG 32 7.531 10.514 27.055 786 HE ARG 32 HE ARG 32 8.717 12.233 28.815 787 HH11 ARG 32 HH11 ARG 32 5.424 12.250 27.539 788 HH12 ARG 32 HH12 ARG 32 4.807 12.954 29.015 789 HH21 ARG 32 HH21 ARG 32 7.826 13.119 30.618 790 HH22 ARG 32 HH22 ARG 32 6.119 13.458 30.684 791 H VAL 33 H VAL 33 12.006 9.119 23.998 792 HA VAL 33 HA VAL 33 11.356 8.745 21.125 793 HB VAL 33 HB VAL 33 13.138 9.662 20.365 794 HG11 VAL 33 HG11 VAL 33 14.313 10.054 23.124 795 HG12 VAL 33 HG12 VAL 33 14.957 10.734 21.600 796 HG13 VAL 33 HG13 VAL 33 13.372 11.217 22.160 797 HG21 VAL 33 HG21 VAL 33 15.351 8.756 20.493 798 HG22 VAL 33 HG22 VAL 33 14.915 7.769 21.907 799 HG23 VAL 33 HG23 VAL 33 14.173 7.469 20.323 800 H THR 34 H THR 34 11.681 6.731 20.243 801 HA THR 34 HA THR 34 12.345 4.510 22.160 802 HB THR 34 HB THR 34 9.965 4.529 20.277 803 HG1 THR 34 HG1 THR 34 9.597 5.852 22.045 804 HG21 THR 34 HG21 THR 34 10.788 2.247 20.601 805 HG22 THR 34 HG22 THR 34 10.918 2.508 22.358 806 HG23 THR 34 HG23 THR 34 9.328 2.484 21.563 807 H THR 35 H THR 35 13.749 3.074 21.425 808 HA THR 35 HA THR 35 14.631 3.107 18.597 809 HB THR 35 HB THR 35 16.465 1.746 19.284 810 HG1 THR 35 HG1 THR 35 15.373 1.711 21.880 811 HG21 THR 35 HG21 THR 35 17.591 3.140 20.896 812 HG22 THR 35 HG22 THR 35 16.656 4.163 19.789 813 HG23 THR 35 HG23 THR 35 16.054 3.866 21.433 814 H LEU 36 H LEU 36 15.202 0.995 17.536 815 HA LEU 36 HA LEU 36 12.996 -0.757 17.271 816 HB2 LEU 36 HB2 LEU 36 14.229 -1.849 15.668 817 HB3 LEU 36 HB3 LEU 36 14.840 -0.206 15.593 818 HG LEU 36 HG LEU 36 16.222 -2.601 16.917 819 HD11 LEU 36 HD11 LEU 36 16.177 -2.658 14.439 820 HD12 LEU 36 HD12 LEU 36 16.921 -1.046 14.399 821 HD13 LEU 36 HD13 LEU 36 17.812 -2.420 15.084 822 HD21 LEU 36 HD21 LEU 36 18.218 -1.076 17.000 823 HD22 LEU 36 HD22 LEU 36 17.141 0.284 16.607 824 HD23 LEU 36 HD23 LEU 36 16.942 -0.618 18.116 825 H PHE 37 H PHE 37 15.372 -0.816 19.759 826 HA PHE 37 HA PHE 37 14.952 -3.672 20.403 827 HB2 PHE 37 HB2 PHE 37 16.492 -1.514 21.900 828 HB3 PHE 37 HB3 PHE 37 16.561 -3.248 22.188 829 HD1 PHE 37 HD1 PHE 37 18.461 -0.696 20.909 830 HD2 PHE 37 HD2 PHE 37 17.036 -4.605 19.778 831 HE1 PHE 37 HE1 PHE 37 20.386 -0.954 19.364 832 HE2 PHE 37 HE2 PHE 37 18.958 -4.854 18.213 833 HZ PHE 37 HZ PHE 37 20.639 -3.030 18.014 834 H ASP 38 H ASP 38 12.983 -1.137 20.694 835 HA ASP 38 HA ASP 38 11.366 -0.379 21.993 836 HB2 ASP 38 HB2 ASP 38 11.434 -2.939 23.602 837 HB3 ASP 38 HB3 ASP 38 10.127 -1.770 23.523 838 H GLU 39 H GLU 39 14.336 -0.215 22.875 839 HA GLU 39 HA GLU 39 14.130 0.548 25.697 840 HB2 GLU 39 HB2 GLU 39 16.250 -0.269 24.703 841 HB3 GLU 39 HB3 GLU 39 16.307 1.160 23.659 842 HG2 GLU 39 HG2 GLU 39 16.390 2.638 25.657 843 HG3 GLU 39 HG3 GLU 39 16.270 1.223 26.708 844 H GLU 40 H GLU 40 13.433 2.407 26.481 845 HA GLU 40 HA GLU 40 12.704 4.646 24.664 846 HB2 GLU 40 HB2 GLU 40 11.827 3.946 27.479 847 HB3 GLU 40 HB3 GLU 40 11.348 5.419 26.612 848 HG2 GLU 40 HG2 GLU 40 10.236 4.118 24.881 849 HG3 GLU 40 HG3 GLU 40 10.791 2.603 25.600 850 H HIS 41 H HIS 41 13.237 6.737 25.055 851 HA HIS 41 HA HIS 41 15.261 7.418 27.149 852 HB2 HIS 41 HB2 HIS 41 15.390 8.217 24.216 853 HB3 HIS 41 HB3 HIS 41 16.494 8.725 25.490 854 HD2 HIS 41 HD2 HIS 41 15.755 5.777 23.165 855 HE1 HIS 41 HE1 HIS 41 19.220 4.678 25.392 856 HE2 HIS 41 HE2 HIS 41 17.722 4.031 23.450 857 H ALA 42 H ALA 42 15.159 9.567 27.913 858 HA ALA 42 HA ALA 42 13.036 11.340 26.860 859 HB1 ALA 42 HB1 ALA 42 12.084 11.651 29.109 860 HB2 ALA 42 HB2 ALA 42 11.906 9.970 28.546 861 HB3 ALA 42 HB3 ALA 42 13.151 10.388 29.749 862 H PHE 43 H PHE 43 13.433 13.439 27.047 863 HA PHE 43 HA PHE 43 15.803 14.446 28.564 864 HB2 PHE 43 HB2 PHE 43 15.215 14.967 25.639 865 HB3 PHE 43 HB3 PHE 43 16.543 15.631 26.594 866 HD1 PHE 43 HD1 PHE 43 18.279 14.027 27.581 867 HD2 PHE 43 HD2 PHE 43 15.409 12.822 24.592 868 HE1 PHE 43 HE1 PHE 43 19.640 12.008 27.091 869 HE2 PHE 43 HE2 PHE 43 16.769 10.816 24.096 870 HZ PHE 43 HZ PHE 43 18.883 10.387 25.366 871 HA PRO 44 HA PRO 44 12.273 17.314 29.318 872 HB2 PRO 44 HB2 PRO 44 13.023 18.101 31.838 873 HB3 PRO 44 HB3 PRO 44 12.080 16.626 31.481 874 HG2 PRO 44 HG2 PRO 44 15.059 16.866 31.969 875 HG3 PRO 44 HG3 PRO 44 13.918 15.658 32.635 876 HD2 PRO 44 HD2 PRO 44 15.507 15.135 30.497 877 HD3 PRO 44 HD3 PRO 44 13.857 14.459 30.624 878 H GLY 45 H GLY 45 12.160 19.485 29.097 879 HA2 GLY 45 HA2 GLY 45 12.872 21.699 28.936 880 HA3 GLY 45 HA3 GLY 45 14.541 21.228 29.223 881 H LEU 46 H LEU 46 13.322 19.206 26.804 882 HA LEU 46 HA LEU 46 14.355 20.966 24.630 883 HB2 LEU 46 HB2 LEU 46 14.252 17.939 24.718 884 HB3 LEU 46 HB3 LEU 46 14.861 18.924 23.390 885 HG LEU 46 HG LEU 46 16.089 18.650 26.163 886 HD11 LEU 46 HD11 LEU 46 17.167 17.902 23.418 887 HD12 LEU 46 HD12 LEU 46 17.883 17.537 24.997 888 HD13 LEU 46 HD13 LEU 46 16.372 16.761 24.500 889 HD21 LEU 46 HD21 LEU 46 16.538 20.938 25.392 890 HD22 LEU 46 HD22 LEU 46 17.999 19.961 25.222 891 HD23 LEU 46 HD23 LEU 46 17.018 20.325 23.789 892 H ALA 47 H ALA 47 13.511 20.742 22.554 893 HA ALA 47 HA ALA 47 10.989 19.309 22.063 894 HB1 ALA 47 HB1 ALA 47 11.393 22.238 21.320 895 HB2 ALA 47 HB2 ALA 47 10.045 21.213 20.795 896 HB3 ALA 47 HB3 ALA 47 10.237 21.607 22.517 897 H ILE 48 H ILE 48 10.698 18.992 19.645 898 HA ILE 48 HA ILE 48 13.252 18.283 18.418 899 HB ILE 48 HB ILE 48 10.453 18.161 17.254 900 HG12 ILE 48 HG12 ILE 48 12.094 15.832 18.363 901 HG13 ILE 48 HG13 ILE 48 10.918 16.705 19.336 902 HG21 ILE 48 HG21 ILE 48 13.099 16.948 16.319 903 HG22 ILE 48 HG22 ILE 48 11.529 16.574 15.602 904 HG23 ILE 48 HG23 ILE 48 12.164 18.205 15.477 905 HD11 ILE 48 HD11 ILE 48 9.130 16.156 17.691 906 HD12 ILE 48 HD12 ILE 48 10.297 15.112 16.840 907 HD13 ILE 48 HD13 ILE 48 9.843 14.761 18.503 908 H GLY 49 H GLY 49 14.474 19.492 17.131 909 HA2 GLY 49 HA2 GLY 49 13.544 22.248 16.444 910 HA3 GLY 49 HA3 GLY 49 15.203 21.719 16.711 911 H ARG 50 H ARG 50 15.138 19.379 14.965 912 HA ARG 50 HA ARG 50 14.503 20.420 12.265 913 HB2 ARG 50 HB2 ARG 50 16.817 21.301 13.206 914 HB3 ARG 50 HB3 ARG 50 17.375 19.663 12.897 915 HG2 ARG 50 HG2 ARG 50 16.837 19.936 10.493 916 HG3 ARG 50 HG3 ARG 50 16.132 21.526 10.848 917 HD2 ARG 50 HD2 ARG 50 18.316 21.963 10.008 918 HD3 ARG 50 HD3 ARG 50 18.349 22.289 11.731 919 HE ARG 50 HE ARG 50 19.637 20.318 12.107 920 HH11 ARG 50 HH11 ARG 50 19.268 20.918 8.642 921 HH12 ARG 50 HH12 ARG 50 20.429 19.649 8.263 922 HH21 ARG 50 HH21 ARG 50 21.179 18.826 11.471 923 HH22 ARG 50 HH22 ARG 50 21.525 18.635 9.775 924 H VAL 51 H VAL 51 14.410 18.835 10.655 925 HA VAL 51 HA VAL 51 15.685 16.229 11.257 926 HB VAL 51 HB VAL 51 13.039 16.260 9.795 927 HG11 VAL 51 HG11 VAL 51 13.157 13.825 10.190 928 HG12 VAL 51 HG12 VAL 51 14.546 14.397 9.265 929 HG13 VAL 51 HG13 VAL 51 14.729 14.032 10.991 930 HG21 VAL 51 HG21 VAL 51 12.477 16.875 12.084 931 HG22 VAL 51 HG22 VAL 51 12.061 15.185 11.812 932 HG23 VAL 51 HG23 VAL 51 13.529 15.601 12.724 933 H ASP 52 H ASP 52 17.067 15.700 9.737 934 HA ASP 52 HA ASP 52 17.026 17.143 7.115 935 HB2 ASP 52 HB2 ASP 52 18.721 17.789 8.875 936 HB3 ASP 52 HB3 ASP 52 19.447 16.199 8.708 937 H LEU 53 H LEU 53 15.902 15.589 6.008 938 HA LEU 53 HA LEU 53 16.214 12.779 6.311 939 HB2 LEU 53 HB2 LEU 53 14.975 14.430 4.067 940 HB3 LEU 53 HB3 LEU 53 14.854 12.693 4.227 941 HG LEU 53 HG LEU 53 12.799 13.628 4.904 942 HD11 LEU 53 HD11 LEU 53 12.487 12.719 7.121 943 HD12 LEU 53 HD12 LEU 53 13.583 11.685 6.195 944 HD13 LEU 53 HD13 LEU 53 14.232 12.780 7.443 945 HD21 LEU 53 HD21 LEU 53 12.417 15.188 6.669 946 HD22 LEU 53 HD22 LEU 53 14.123 15.270 7.091 947 HD23 LEU 53 HD23 LEU 53 13.562 15.916 5.527 948 H ARG 54 H ARG 54 18.021 15.007 4.364 949 HA ARG 54 HA ARG 54 19.156 13.225 2.403 950 HB2 ARG 54 HB2 ARG 54 20.268 15.695 3.785 951 HB3 ARG 54 HB3 ARG 54 20.993 14.947 2.359 952 HG2 ARG 54 HG2 ARG 54 19.119 15.439 0.970 953 HG3 ARG 54 HG3 ARG 54 18.123 15.969 2.326 954 HD2 ARG 54 HD2 ARG 54 20.664 17.356 1.395 955 HD3 ARG 54 HD3 ARG 54 19.020 17.870 1.020 956 HE ARG 54 HE ARG 54 19.572 17.561 3.899 957 HH11 ARG 54 HH11 ARG 54 19.407 19.977 1.330 958 HH12 ARG 54 HH12 ARG 54 19.348 21.256 2.526 959 HH21 ARG 54 HH21 ARG 54 19.534 19.106 5.185 960 HH22 ARG 54 HH22 ARG 54 19.207 20.764 4.689 961 H SER 55 H SER 55 19.827 13.624 5.810 962 HA SER 55 HA SER 55 22.044 11.603 5.650 963 HB2 SER 55 HB2 SER 55 22.764 13.997 6.061 964 HB3 SER 55 HB3 SER 55 21.915 13.926 7.612 965 HG SER 55 HG SER 55 23.280 12.116 8.155 966 H GLY 56 H GLY 56 18.955 12.187 6.922 967 HA2 GLY 56 HA2 GLY 56 17.618 10.861 8.227 968 HA3 GLY 56 HA3 GLY 56 18.954 9.745 8.482 969 H VAL 57 H VAL 57 19.261 13.184 9.324 970 HA VAL 57 HA VAL 57 19.618 12.370 12.167 971 HB VAL 57 HB VAL 57 20.582 14.855 10.727 972 HG11 VAL 57 HG11 VAL 57 20.175 15.405 13.080 973 HG12 VAL 57 HG12 VAL 57 21.014 13.920 13.593 974 HG13 VAL 57 HG13 VAL 57 21.911 15.237 12.799 975 HG21 VAL 57 HG21 VAL 57 22.828 13.872 11.090 976 HG22 VAL 57 HG22 VAL 57 22.085 12.429 11.802 977 HG23 VAL 57 HG23 VAL 57 21.829 12.814 10.085 978 H ILE 58 H ILE 58 18.209 12.818 13.614 979 HA ILE 58 HA ILE 58 16.270 15.077 13.396 980 HB ILE 58 HB ILE 58 16.415 12.654 15.223 981 HG12 ILE 58 HG12 ILE 58 14.222 13.414 13.252 982 HG13 ILE 58 HG13 ILE 58 15.566 12.348 12.834 983 HG21 ILE 58 HG21 ILE 58 14.303 13.419 16.234 984 HG22 ILE 58 HG22 ILE 58 15.578 14.572 16.533 985 HG23 ILE 58 HG23 ILE 58 14.362 14.920 15.285 986 HD11 ILE 58 HD11 ILE 58 14.897 10.808 14.691 987 HD12 ILE 58 HD12 ILE 58 13.422 11.802 14.895 988 HD13 ILE 58 HD13 ILE 58 13.724 10.962 13.371 989 H SER 59 H SER 59 16.688 16.889 14.572 990 HA SER 59 HA SER 59 18.814 16.802 16.691 991 HB2 SER 59 HB2 SER 59 19.603 17.844 14.569 992 HB3 SER 59 HB3 SER 59 18.320 19.056 14.734 993 HG SER 59 HG SER 59 20.347 19.740 15.609 994 H LEU 60 H LEU 60 18.446 17.873 18.534 995 HA LEU 60 HA LEU 60 15.701 18.964 18.966 996 HB2 LEU 60 HB2 LEU 60 17.575 17.812 21.031 997 HB3 LEU 60 HB3 LEU 60 15.862 18.195 21.211 998 HG LEU 60 HG LEU 60 17.083 15.909 19.594 999 HD11 LEU 60 HD11 LEU 60 15.864 14.514 21.214 1000 HD12 LEU 60 HD12 LEU 60 16.998 15.596 22.026 1001 HD13 LEU 60 HD13 LEU 60 15.274 15.970 22.034 1002 HD21 LEU 60 HD21 LEU 60 14.737 15.170 19.198 1003 HD22 LEU 60 HD22 LEU 60 14.159 16.707 19.873 1004 HD23 LEU 60 HD23 LEU 60 15.094 16.688 18.367 1005 H ILE 61 H ILE 61 15.353 20.694 20.355 1006 HA ILE 61 HA ILE 61 17.639 22.509 20.979 1007 HB ILE 61 HB ILE 61 16.354 24.449 20.164 1008 HG12 ILE 61 HG12 ILE 61 14.657 23.910 18.258 1009 HG13 ILE 61 HG13 ILE 61 14.394 22.381 19.076 1010 HG21 ILE 61 HG21 ILE 61 18.171 23.433 18.867 1011 HG22 ILE 61 HG22 ILE 61 16.998 22.412 18.006 1012 HG23 ILE 61 HG23 ILE 61 16.952 24.183 17.826 1013 HD11 ILE 61 HD11 ILE 61 14.043 25.157 20.307 1014 HD12 ILE 61 HD12 ILE 61 12.737 24.174 19.612 1015 HD13 ILE 61 HD13 ILE 61 13.571 23.614 21.064 1016 H GLU 62 H GLU 62 17.119 24.190 22.560 1017 HA GLU 62 HA GLU 62 15.652 23.077 24.789 1018 HB2 GLU 62 HB2 GLU 62 16.917 25.811 24.400 1019 HB3 GLU 62 HB3 GLU 62 16.210 25.231 25.910 1020 HG2 GLU 62 HG2 GLU 62 17.824 23.364 25.989 1021 HG3 GLU 62 HG3 GLU 62 18.540 23.911 24.463 1022 H GLU 63 H GLU 63 13.580 23.347 25.420 1023 HA GLU 63 HA GLU 63 11.769 24.946 23.728 1024 HB2 GLU 63 HB2 GLU 63 10.002 23.747 24.725 1025 HB3 GLU 63 HB3 GLU 63 11.302 22.632 24.413 1026 HG2 GLU 63 HG2 GLU 63 10.804 21.887 26.482 1027 HG3 GLU 63 HG3 GLU 63 11.949 23.126 26.954 1028 H GLN 64 H GLN 64 13.221 25.295 26.874 1029 HA GLN 64 HA GLN 64 12.314 28.080 27.024 1030 HB2 GLN 64 HB2 GLN 64 11.819 26.069 29.266 1031 HB3 GLN 64 HB3 GLN 64 11.872 27.802 29.536 1032 HG2 GLN 64 HG2 GLN 64 9.854 26.436 27.707 1033 HG3 GLN 64 HG3 GLN 64 9.570 26.885 29.382 1034 HE21 GLN 64 HE21 GLN 64 9.996 28.157 26.097 1035 HE22 GLN 64 HE22 GLN 64 9.433 29.794 26.506 1036 H ASN 65 H ASN 65 13.656 29.389 28.296 1037 HA ASN 65 HA ASN 65 16.367 28.286 28.865 1038 HB2 ASN 65 HB2 ASN 65 15.465 31.164 28.447 1039 HB3 ASN 65 HB3 ASN 65 17.133 30.611 28.654 1040 HD21 ASN 65 HD21 ASN 65 17.942 28.983 26.974 1041 HD22 ASN 65 HD22 ASN 65 17.361 29.233 25.341 1042 H ARG 66 H ARG 66 14.059 27.984 30.705 1043 HA ARG 66 HA ARG 66 15.155 29.055 33.222 1044 HB2 ARG 66 HB2 ARG 66 12.981 30.042 33.862 1045 HB3 ARG 66 HB3 ARG 66 13.773 30.901 32.551 1046 HG2 ARG 66 HG2 ARG 66 12.260 29.834 30.898 1047 HG3 ARG 66 HG3 ARG 66 11.482 28.915 32.189 1048 HD2 ARG 66 HD2 ARG 66 10.658 30.950 33.240 1049 HD3 ARG 66 HD3 ARG 66 11.545 31.955 32.059 1050 HE ARG 66 HE ARG 66 9.965 30.301 30.493 1051 HH11 ARG 66 HH11 ARG 66 9.177 32.678 32.954 1052 HH12 ARG 66 HH12 ARG 66 7.620 33.011 32.234 1053 HH21 ARG 66 HH21 ARG 66 8.069 30.723 29.675 1054 HH22 ARG 66 HH22 ARG 66 7.000 31.932 30.371 Start of MODEL 17 1 H1 GLY -3 H1 GLY -3 15.230 -0.044 -2.012 2 H2 GLY -3 H2 GLY -3 14.137 0.905 -2.784 3 H3 GLY -3 H3 GLY -3 15.720 1.325 -2.771 4 HA2 GLY -3 HA2 GLY -3 16.320 -0.594 -4.084 5 HA3 GLY -3 HA3 GLY -3 14.604 -1.058 -4.104 6 HA PRO -2 HA PRO -2 15.523 1.325 -7.970 7 HB2 PRO -2 HB2 PRO -2 13.501 -0.677 -8.971 8 HB3 PRO -2 HB3 PRO -2 14.996 -0.096 -9.767 9 HG2 PRO -2 HG2 PRO -2 14.950 -2.528 -8.581 10 HG3 PRO -2 HG3 PRO -2 16.363 -1.447 -8.342 11 HD2 PRO -2 HD2 PRO -2 13.994 -1.883 -6.494 12 HD3 PRO -2 HD3 PRO -2 15.742 -1.878 -6.107 13 H GLY -1 H GLY -1 14.185 2.688 -9.287 14 HA2 GLY -1 HA2 GLY -1 12.390 4.030 -9.850 15 HA3 GLY -1 HA3 GLY -1 11.325 2.978 -8.922 16 H SER 0 H SER 0 10.395 5.213 -8.593 17 HA SER 0 HA SER 0 11.637 7.168 -6.933 18 HB2 SER 0 HB2 SER 0 8.671 6.648 -7.350 19 HB3 SER 0 HB3 SER 0 9.399 8.155 -6.775 20 HG SER 0 HG SER 0 10.371 8.426 -8.787 21 H MET 1 H MET 1 11.304 7.765 -4.788 22 HA MET 1 HA MET 1 9.654 6.151 -2.984 23 HB2 MET 1 HB2 MET 1 11.330 5.610 -1.405 24 HB3 MET 1 HB3 MET 1 11.830 4.952 -2.958 25 HG2 MET 1 HG2 MET 1 13.416 6.839 -3.259 26 HG3 MET 1 HG3 MET 1 12.859 7.544 -1.743 27 HE1 MET 1 HE1 MET 1 15.971 6.685 0.016 28 HE2 MET 1 HE2 MET 1 15.612 7.661 -1.437 29 HE3 MET 1 HE3 MET 1 14.483 7.671 -0.055 30 H CYS 2 H CYS 2 9.234 7.204 -0.968 31 HA CYS 2 HA CYS 2 9.573 10.155 -1.071 32 HB2 CYS 2 HB2 CYS 2 7.297 9.085 -0.841 33 HB3 CYS 2 HB3 CYS 2 7.810 8.514 0.773 34 HG CYS 2 HG CYS 2 7.569 11.531 -0.503 35 H MET 3 H MET 3 10.773 11.253 0.361 36 HA MET 3 HA MET 3 12.522 9.795 2.226 37 HB2 MET 3 HB2 MET 3 12.370 12.709 1.395 38 HB3 MET 3 HB3 MET 3 13.463 12.100 2.635 39 HG2 MET 3 HG2 MET 3 14.697 12.229 0.608 40 HG3 MET 3 HG3 MET 3 14.475 10.539 1.023 41 HE1 MET 3 HE1 MET 3 11.979 13.040 -0.743 42 HE2 MET 3 HE2 MET 3 13.490 13.427 -1.595 43 HE3 MET 3 HE3 MET 3 12.165 12.598 -2.447 44 H ALA 4 H ALA 4 10.162 12.519 2.577 45 HA ALA 4 HA ALA 4 8.966 11.206 4.846 46 HB1 ALA 4 HB1 ALA 4 10.287 13.918 5.301 47 HB2 ALA 4 HB2 ALA 4 9.255 13.054 6.464 48 HB3 ALA 4 HB3 ALA 4 10.811 12.366 6.014 49 H LYS 5 H LYS 5 7.060 12.158 5.547 50 HA LYS 5 HA LYS 5 5.777 14.230 3.805 51 HB2 LYS 5 HB2 LYS 5 4.482 12.271 3.601 52 HB3 LYS 5 HB3 LYS 5 4.686 11.829 5.296 53 HG2 LYS 5 HG2 LYS 5 3.208 13.596 6.037 54 HG3 LYS 5 HG3 LYS 5 3.040 14.224 4.377 55 HD2 LYS 5 HD2 LYS 5 1.796 12.328 3.676 56 HD3 LYS 5 HD3 LYS 5 2.300 11.362 5.078 57 HE2 LYS 5 HE2 LYS 5 1.015 12.731 6.597 58 HE3 LYS 5 HE3 LYS 5 0.598 13.875 5.317 59 HZ1 LYS 5 HZ1 LYS 5 -0.197 11.017 5.188 60 HZ2 LYS 5 HZ2 LYS 5 -1.150 12.163 5.858 61 HZ3 LYS 5 HZ3 LYS 5 -0.771 12.274 4.282 62 H VAL 6 H VAL 6 5.351 16.125 4.722 63 HA VAL 6 HA VAL 6 5.327 16.406 7.707 64 HB VAL 6 HB VAL 6 5.703 18.495 5.547 65 HG11 VAL 6 HG11 VAL 6 5.377 18.920 8.534 66 HG12 VAL 6 HG12 VAL 6 5.935 20.145 7.376 67 HG13 VAL 6 HG13 VAL 6 4.292 19.526 7.256 68 HG21 VAL 6 HG21 VAL 6 7.707 17.131 6.254 69 HG22 VAL 6 HG22 VAL 6 7.844 18.876 6.536 70 HG23 VAL 6 HG23 VAL 6 7.488 17.776 7.889 71 H VAL 7 H VAL 7 3.433 16.976 8.725 72 HA VAL 7 HA VAL 7 1.064 17.684 7.080 73 HB VAL 7 HB VAL 7 1.014 15.286 7.245 74 HG11 VAL 7 HG11 VAL 7 0.908 15.602 10.277 75 HG12 VAL 7 HG12 VAL 7 0.690 14.097 9.364 76 HG13 VAL 7 HG13 VAL 7 2.254 14.921 9.352 77 HG21 VAL 7 HG21 VAL 7 -1.135 16.599 7.338 78 HG22 VAL 7 HG22 VAL 7 -1.229 14.990 8.071 79 HG23 VAL 7 HG23 VAL 7 -1.120 16.425 9.107 80 H LEU 8 H LEU 8 -0.397 18.947 7.898 81 HA LEU 8 HA LEU 8 -0.614 19.593 10.725 82 HB2 LEU 8 HB2 LEU 8 -0.235 21.945 10.550 83 HB3 LEU 8 HB3 LEU 8 1.188 21.092 9.995 84 HG LEU 8 HG LEU 8 0.916 23.063 8.722 85 HD11 LEU 8 HD11 LEU 8 1.064 22.321 6.510 86 HD12 LEU 8 HD12 LEU 8 1.802 21.120 7.568 87 HD13 LEU 8 HD13 LEU 8 0.199 20.818 6.884 88 HD21 LEU 8 HD21 LEU 8 -1.485 23.444 9.036 89 HD22 LEU 8 HD22 LEU 8 -0.930 23.687 7.371 90 HD23 LEU 8 HD23 LEU 8 -1.833 22.229 7.798 91 H THR 9 H THR 9 -2.523 21.077 11.095 92 HA THR 9 HA THR 9 -4.623 20.748 8.977 93 HB THR 9 HB THR 9 -5.120 20.552 11.960 94 HG1 THR 9 HG1 THR 9 -4.045 18.740 11.215 95 HG21 THR 9 HG21 THR 9 -6.899 20.018 9.535 96 HG22 THR 9 HG22 THR 9 -7.328 19.671 11.218 97 HG23 THR 9 HG23 THR 9 -7.098 21.351 10.707 98 H LYS 10 H LYS 10 -5.724 22.520 8.415 99 HA LYS 10 HA LYS 10 -4.872 25.128 9.424 100 HB2 LYS 10 HB2 LYS 10 -6.918 24.316 7.312 101 HB3 LYS 10 HB3 LYS 10 -6.389 25.961 7.625 102 HG2 LYS 10 HG2 LYS 10 -4.021 25.260 7.095 103 HG3 LYS 10 HG3 LYS 10 -4.658 23.693 6.572 104 HD2 LYS 10 HD2 LYS 10 -5.515 26.389 5.453 105 HD3 LYS 10 HD3 LYS 10 -4.282 25.364 4.715 106 HE2 LYS 10 HE2 LYS 10 -5.844 23.667 4.131 107 HE3 LYS 10 HE3 LYS 10 -7.069 24.277 5.249 108 HZ1 LYS 10 HZ1 LYS 10 -6.178 25.767 2.848 109 HZ2 LYS 10 HZ2 LYS 10 -7.547 24.876 2.925 110 HZ3 LYS 10 HZ3 LYS 10 -7.387 26.197 3.879 111 H ALA 11 H ALA 11 -6.341 26.842 9.994 112 HA ALA 11 HA ALA 11 -8.475 26.276 11.838 113 HB1 ALA 11 HB1 ALA 11 -8.860 28.707 11.688 114 HB2 ALA 11 HB2 ALA 11 -7.127 28.359 11.841 115 HB3 ALA 11 HB3 ALA 11 -7.809 28.802 10.257 116 H ASP 12 H ASP 12 -8.413 26.397 8.349 117 HA ASP 12 HA ASP 12 -11.238 26.683 7.827 118 HB2 ASP 12 HB2 ASP 12 -9.091 25.207 6.240 119 HB3 ASP 12 HB3 ASP 12 -10.669 25.704 5.637 120 H GLY 13 H GLY 13 -9.548 24.131 9.368 121 HA2 GLY 13 HA2 GLY 13 -10.328 22.104 10.174 122 HA3 GLY 13 HA3 GLY 13 -11.793 22.236 9.184 123 H GLY 14 H GLY 14 -9.462 22.806 6.975 124 HA2 GLY 14 HA2 GLY 14 -9.305 19.993 6.039 125 HA3 GLY 14 HA3 GLY 14 -8.873 21.436 5.123 126 H ARG 15 H ARG 15 -7.341 18.942 5.581 127 HA ARG 15 HA ARG 15 -4.984 19.780 7.167 128 HB2 ARG 15 HB2 ARG 15 -5.406 17.323 5.440 129 HB3 ARG 15 HB3 ARG 15 -3.999 17.668 6.453 130 HG2 ARG 15 HG2 ARG 15 -5.673 17.826 8.425 131 HG3 ARG 15 HG3 ARG 15 -6.821 17.022 7.349 132 HD2 ARG 15 HD2 ARG 15 -4.098 16.019 8.254 133 HD3 ARG 15 HD3 ARG 15 -5.649 15.372 8.763 134 HE ARG 15 HE ARG 15 -4.247 14.886 6.200 135 HH11 ARG 15 HH11 ARG 15 -7.371 14.476 7.779 136 HH12 ARG 15 HH12 ARG 15 -7.866 13.287 6.604 137 HH21 ARG 15 HH21 ARG 15 -4.895 13.495 4.837 138 HH22 ARG 15 HH22 ARG 15 -6.483 12.715 4.929 139 H VAL 16 H VAL 16 -2.926 19.932 6.359 140 HA VAL 16 HA VAL 16 -2.529 20.298 3.417 141 HB VAL 16 HB VAL 16 -1.362 21.902 5.679 142 HG11 VAL 16 HG11 VAL 16 -0.206 21.799 2.869 143 HG12 VAL 16 HG12 VAL 16 0.239 22.932 4.172 144 HG13 VAL 16 HG13 VAL 16 0.592 21.232 4.362 145 HG21 VAL 16 HG21 VAL 16 -3.403 22.769 4.630 146 HG22 VAL 16 HG22 VAL 16 -2.008 23.819 4.359 147 HG23 VAL 16 HG23 VAL 16 -2.582 22.759 3.049 148 H GLU 17 H GLU 17 -0.981 19.033 2.580 149 HA GLU 17 HA GLU 17 0.778 17.424 4.375 150 HB2 GLU 17 HB2 GLU 17 -0.990 16.277 2.178 151 HB3 GLU 17 HB3 GLU 17 0.275 15.411 3.047 152 HG2 GLU 17 HG2 GLU 17 -0.936 15.783 5.182 153 HG3 GLU 17 HG3 GLU 17 -2.233 16.614 4.306 154 H ILE 18 H ILE 18 2.792 17.285 3.684 155 HA ILE 18 HA ILE 18 3.487 18.220 0.921 156 HB ILE 18 HB ILE 18 4.947 18.819 3.501 157 HG12 ILE 18 HG12 ILE 18 3.329 20.832 1.887 158 HG13 ILE 18 HG13 ILE 18 2.718 20.037 3.339 159 HG21 ILE 18 HG21 ILE 18 5.369 19.947 0.701 160 HG22 ILE 18 HG22 ILE 18 6.321 20.350 2.146 161 HG23 ILE 18 HG23 ILE 18 6.390 18.723 1.474 162 HD11 ILE 18 HD11 ILE 18 4.625 20.919 4.657 163 HD12 ILE 18 HD12 ILE 18 5.082 21.914 3.238 164 HD13 ILE 18 HD13 ILE 18 3.504 22.135 4.021 165 H GLY 19 H GLY 19 4.177 16.439 -0.089 166 HA2 GLY 19 HA2 GLY 19 5.669 14.302 1.300 167 HA3 GLY 19 HA3 GLY 19 5.084 14.291 -0.352 168 H ASP 20 H ASP 20 7.511 13.323 0.195 169 HA ASP 20 HA ASP 20 9.647 13.285 -0.492 170 HB2 ASP 20 HB2 ASP 20 8.821 15.295 -2.581 171 HB3 ASP 20 HB3 ASP 20 10.166 14.161 -2.646 172 H VAL 21 H VAL 21 9.239 14.928 1.695 173 HA VAL 21 HA VAL 21 10.728 17.406 1.538 174 HB VAL 21 HB VAL 21 9.708 15.746 3.872 175 HG11 VAL 21 HG11 VAL 21 11.550 17.029 4.746 176 HG12 VAL 21 HG12 VAL 21 11.016 18.483 3.878 177 HG13 VAL 21 HG13 VAL 21 10.039 17.814 5.210 178 HG21 VAL 21 HG21 VAL 21 7.997 17.526 3.990 179 HG22 VAL 21 HG22 VAL 21 8.754 18.361 2.619 180 HG23 VAL 21 HG23 VAL 21 7.985 16.775 2.396 181 H LEU 22 H LEU 22 12.782 17.829 1.800 182 HA LEU 22 HA LEU 22 14.729 15.661 2.457 183 HB2 LEU 22 HB2 LEU 22 15.087 18.374 1.125 184 HB3 LEU 22 HB3 LEU 22 16.391 17.257 1.499 185 HG LEU 22 HG LEU 22 14.137 16.770 -0.494 186 HD11 LEU 22 HD11 LEU 22 17.140 17.205 -0.780 187 HD12 LEU 22 HD12 LEU 22 16.045 16.806 -2.110 188 HD13 LEU 22 HD13 LEU 22 15.856 18.345 -1.250 189 HD21 LEU 22 HD21 LEU 22 15.431 14.726 -1.120 190 HD22 LEU 22 HD22 LEU 22 16.446 14.943 0.323 191 HD23 LEU 22 HD23 LEU 22 14.699 14.623 0.482 192 H GLU 23 H GLU 23 13.481 18.756 3.711 193 HA GLU 23 HA GLU 23 15.081 18.358 6.148 194 HB2 GLU 23 HB2 GLU 23 16.613 19.514 4.532 195 HB3 GLU 23 HB3 GLU 23 15.471 20.859 4.467 196 HG2 GLU 23 HG2 GLU 23 15.793 21.218 6.917 197 HG3 GLU 23 HG3 GLU 23 16.939 19.867 6.936 198 H VAL 24 H VAL 24 14.202 19.304 7.924 199 HA VAL 24 HA VAL 24 12.039 21.330 7.635 200 HB VAL 24 HB VAL 24 11.854 18.908 9.449 201 HG11 VAL 24 HG11 VAL 24 9.903 21.201 8.958 202 HG12 VAL 24 HG12 VAL 24 9.537 19.746 9.901 203 HG13 VAL 24 HG13 VAL 24 10.748 20.870 10.484 204 HG21 VAL 24 HG21 VAL 24 11.367 18.225 7.183 205 HG22 VAL 24 HG22 VAL 24 9.851 18.337 8.075 206 HG23 VAL 24 HG23 VAL 24 10.306 19.631 6.951 207 H ARG 25 H ARG 25 12.035 22.884 9.213 208 HA ARG 25 HA ARG 25 13.870 22.654 11.561 209 HB2 ARG 25 HB2 ARG 25 13.677 25.311 10.153 210 HB3 ARG 25 HB3 ARG 25 14.889 24.713 11.266 211 HG2 ARG 25 HG2 ARG 25 16.074 24.769 9.314 212 HG3 ARG 25 HG3 ARG 25 15.540 23.085 9.289 213 HD2 ARG 25 HD2 ARG 25 13.662 23.773 7.767 214 HD3 ARG 25 HD3 ARG 25 14.225 25.449 7.846 215 HE ARG 25 HE ARG 25 16.383 23.821 6.940 216 HH11 ARG 25 HH11 ARG 25 13.194 24.684 5.690 217 HH12 ARG 25 HH12 ARG 25 13.743 24.402 4.045 218 HH21 ARG 25 HH21 ARG 25 16.950 23.696 4.826 219 HH22 ARG 25 HH22 ARG 25 15.718 23.909 3.586 220 H ALA 26 H ALA 26 13.130 23.580 13.427 221 HA ALA 26 HA ALA 26 10.567 25.132 13.339 222 HB1 ALA 26 HB1 ALA 26 10.400 23.115 14.725 223 HB2 ALA 26 HB2 ALA 26 11.842 23.599 15.644 224 HB3 ALA 26 HB3 ALA 26 10.363 24.581 15.730 225 H GLU 27 H GLU 27 10.956 27.250 13.300 226 HA GLU 27 HA GLU 27 13.139 28.486 14.871 227 HB2 GLU 27 HB2 GLU 27 14.351 27.635 12.954 228 HB3 GLU 27 HB3 GLU 27 13.152 28.247 11.836 229 HG2 GLU 27 HG2 GLU 27 15.217 29.583 11.810 230 HG3 GLU 27 HG3 GLU 27 13.807 30.543 12.238 231 H GLY 28 H GLY 28 12.614 30.478 15.529 232 HA2 GLY 28 HA2 GLY 28 11.763 32.592 15.601 233 HA3 GLY 28 HA3 GLY 28 11.560 32.504 13.850 234 H GLY 29 H GLY 29 9.879 30.365 16.121 235 HA2 GLY 29 HA2 GLY 29 7.639 30.157 16.698 236 HA3 GLY 29 HA3 GLY 29 7.334 31.790 16.106 237 H ALA 30 H ALA 30 8.842 29.542 13.913 238 HA ALA 30 HA ALA 30 6.294 28.794 12.584 239 HB1 ALA 30 HB1 ALA 30 7.158 29.546 10.418 240 HB2 ALA 30 HB2 ALA 30 7.168 30.917 11.542 241 HB3 ALA 30 HB3 ALA 30 8.673 30.060 11.166 242 H VAL 31 H VAL 31 6.437 26.972 11.229 243 HA VAL 31 HA VAL 31 8.993 25.402 11.400 244 HB VAL 31 HB VAL 31 6.196 24.415 10.848 245 HG11 VAL 31 HG11 VAL 31 8.857 22.952 10.561 246 HG12 VAL 31 HG12 VAL 31 7.286 22.150 10.640 247 HG13 VAL 31 HG13 VAL 31 7.646 23.210 9.280 248 HG21 VAL 31 HG21 VAL 31 6.675 23.054 12.844 249 HG22 VAL 31 HG22 VAL 31 8.338 23.689 12.901 250 HG23 VAL 31 HG23 VAL 31 6.961 24.762 13.214 251 H ARG 32 H ARG 32 10.079 24.839 9.643 252 HA ARG 32 HA ARG 32 9.328 26.125 7.040 253 HB2 ARG 32 HB2 ARG 32 12.055 26.195 8.412 254 HB3 ARG 32 HB3 ARG 32 11.605 27.009 6.900 255 HG2 ARG 32 HG2 ARG 32 9.998 28.441 8.169 256 HG3 ARG 32 HG3 ARG 32 10.444 27.610 9.668 257 HD2 ARG 32 HD2 ARG 32 12.834 28.359 9.284 258 HD3 ARG 32 HD3 ARG 32 12.218 29.379 7.980 259 HE ARG 32 HE ARG 32 11.312 29.534 10.871 260 HH11 ARG 32 HH11 ARG 32 12.187 31.342 7.978 261 HH12 ARG 32 HH12 ARG 32 11.825 32.865 8.749 262 HH21 ARG 32 HH21 ARG 32 10.924 31.410 11.749 263 HH22 ARG 32 HH22 ARG 32 11.139 32.915 10.860 264 H VAL 33 H VAL 33 9.919 25.022 5.177 265 HA VAL 33 HA VAL 33 11.088 22.283 5.542 266 HB VAL 33 HB VAL 33 8.529 22.845 4.037 267 HG11 VAL 33 HG11 VAL 33 9.861 20.260 4.819 268 HG12 VAL 33 HG12 VAL 33 8.201 20.381 4.178 269 HG13 VAL 33 HG13 VAL 33 9.558 20.869 3.173 270 HG21 VAL 33 HG21 VAL 33 8.824 21.635 6.815 271 HG22 VAL 33 HG22 VAL 33 8.040 23.179 6.427 272 HG23 VAL 33 HG23 VAL 33 7.320 21.679 5.863 273 H THR 34 H THR 34 12.073 21.344 3.805 274 HA THR 34 HA THR 34 12.091 22.765 1.163 275 HB THR 34 HB THR 34 14.523 21.718 2.642 276 HG1 THR 34 HG1 THR 34 13.927 24.251 1.548 277 HG21 THR 34 HG21 THR 34 14.337 22.738 -0.222 278 HG22 THR 34 HG22 THR 34 15.837 22.559 0.702 279 HG23 THR 34 HG23 THR 34 14.866 21.126 0.309 280 H THR 35 H THR 35 12.075 21.473 -0.621 281 HA THR 35 HA THR 35 11.844 18.498 -0.252 282 HB THR 35 HB THR 35 10.143 18.494 -1.994 283 HG1 THR 35 HG1 THR 35 9.309 20.574 -2.644 284 HG21 THR 35 HG21 THR 35 9.347 18.815 0.340 285 HG22 THR 35 HG22 THR 35 9.418 20.573 0.132 286 HG23 THR 35 HG23 THR 35 8.294 19.595 -0.845 287 H LEU 36 H LEU 36 12.163 17.255 -2.324 288 HA LEU 36 HA LEU 36 14.651 17.985 -3.569 289 HB2 LEU 36 HB2 LEU 36 14.316 15.990 -4.994 290 HB3 LEU 36 HB3 LEU 36 14.257 15.705 -3.265 291 HG LEU 36 HG LEU 36 11.961 15.264 -3.257 292 HD11 LEU 36 HD11 LEU 36 10.954 16.899 -4.720 293 HD12 LEU 36 HD12 LEU 36 11.773 16.196 -6.143 294 HD13 LEU 36 HD13 LEU 36 10.505 15.296 -5.286 295 HD21 LEU 36 HD21 LEU 36 13.478 13.489 -4.188 296 HD22 LEU 36 HD22 LEU 36 11.811 13.357 -4.782 297 HD23 LEU 36 HD23 LEU 36 13.068 14.058 -5.819 298 H PHE 37 H PHE 37 11.653 19.275 -4.312 299 HA PHE 37 HA PHE 37 12.188 19.807 -7.154 300 HB2 PHE 37 HB2 PHE 37 10.174 21.039 -5.264 301 HB3 PHE 37 HB3 PHE 37 10.197 21.187 -7.020 302 HD1 PHE 37 HD1 PHE 37 8.711 19.420 -4.337 303 HD2 PHE 37 HD2 PHE 37 10.201 18.853 -8.346 304 HE1 PHE 37 HE1 PHE 37 7.335 17.370 -4.561 305 HE2 PHE 37 HE2 PHE 37 8.808 16.808 -8.568 306 HZ PHE 37 HZ PHE 37 7.381 16.054 -6.662 307 H ASP 38 H ASP 38 13.782 20.829 -4.498 308 HA ASP 38 HA ASP 38 14.998 22.542 -3.816 309 HB2 ASP 38 HB2 ASP 38 14.934 23.655 -6.630 310 HB3 ASP 38 HB3 ASP 38 16.070 24.061 -5.349 311 H GLU 39 H GLU 39 11.977 22.751 -3.946 312 HA GLU 39 HA GLU 39 11.515 25.641 -3.685 313 HB2 GLU 39 HB2 GLU 39 9.765 23.191 -3.196 314 HB3 GLU 39 HB3 GLU 39 9.232 24.836 -2.883 315 HG2 GLU 39 HG2 GLU 39 10.071 23.714 -5.573 316 HG3 GLU 39 HG3 GLU 39 8.419 24.058 -5.027 317 H GLU 40 H GLU 40 10.616 26.565 -1.841 318 HA GLU 40 HA GLU 40 11.446 25.485 0.815 319 HB2 GLU 40 HB2 GLU 40 12.071 28.247 -0.285 320 HB3 GLU 40 HB3 GLU 40 12.128 27.837 1.433 321 HG2 GLU 40 HG2 GLU 40 13.815 26.119 1.038 322 HG3 GLU 40 HG3 GLU 40 13.772 26.438 -0.694 323 H HIS 41 H HIS 41 10.066 25.841 2.391 324 HA HIS 41 HA HIS 41 7.596 27.495 1.947 325 HB2 HIS 41 HB2 HIS 41 7.618 24.689 3.105 326 HB3 HIS 41 HB3 HIS 41 6.225 25.677 2.685 327 HD2 HIS 41 HD2 HIS 41 8.707 23.196 1.225 328 HE1 HIS 41 HE1 HIS 41 6.275 24.415 -2.059 329 HE2 HIS 41 HE2 HIS 41 8.027 22.746 -1.286 330 H ALA 42 H ALA 42 6.492 28.151 3.847 331 HA ALA 42 HA ALA 42 7.710 27.623 6.467 332 HB1 ALA 42 HB1 ALA 42 7.443 30.445 5.350 333 HB2 ALA 42 HB2 ALA 42 7.917 30.018 7.016 334 HB3 ALA 42 HB3 ALA 42 8.967 29.580 5.656 335 H PHE 43 H PHE 43 6.381 27.773 8.134 336 HA PHE 43 HA PHE 43 3.484 28.412 7.714 337 HB2 PHE 43 HB2 PHE 43 4.632 25.892 8.953 338 HB3 PHE 43 HB3 PHE 43 2.930 26.294 8.734 339 HD1 PHE 43 HD1 PHE 43 2.022 26.579 6.363 340 HD2 PHE 43 HD2 PHE 43 5.886 24.854 7.197 341 HE1 PHE 43 HE1 PHE 43 2.126 25.685 4.041 342 HE2 PHE 43 HE2 PHE 43 5.987 23.947 4.883 343 HZ PHE 43 HZ PHE 43 4.109 24.391 3.299 344 HA PRO 44 HA PRO 44 4.969 30.395 11.594 345 HB2 PRO 44 HB2 PRO 44 3.367 32.608 11.545 346 HB3 PRO 44 HB3 PRO 44 4.888 32.459 10.609 347 HG2 PRO 44 HG2 PRO 44 2.048 31.968 9.630 348 HG3 PRO 44 HG3 PRO 44 3.341 32.927 8.840 349 HD2 PRO 44 HD2 PRO 44 2.809 30.358 8.146 350 HD3 PRO 44 HD3 PRO 44 4.488 30.992 8.152 351 H GLY 45 H GLY 45 4.187 30.354 13.625 352 HA2 GLY 45 HA2 GLY 45 2.633 30.172 15.366 353 HA3 GLY 45 HA3 GLY 45 1.332 29.857 14.219 354 H LEU 46 H LEU 46 3.968 27.870 13.468 355 HA LEU 46 HA LEU 46 2.856 25.575 15.021 356 HB2 LEU 46 HB2 LEU 46 4.224 25.535 12.308 357 HB3 LEU 46 HB3 LEU 46 3.615 24.136 13.180 358 HG LEU 46 HG LEU 46 1.938 26.374 11.975 359 HD11 LEU 46 HD11 LEU 46 2.911 24.643 10.443 360 HD12 LEU 46 HD12 LEU 46 2.059 23.397 11.378 361 HD13 LEU 46 HD13 LEU 46 1.139 24.642 10.501 362 HD21 LEU 46 HD21 LEU 46 1.073 23.926 13.579 363 HD22 LEU 46 HD22 LEU 46 0.799 25.629 14.021 364 HD23 LEU 46 HD23 LEU 46 -0.020 24.947 12.620 365 H ALA 47 H ALA 47 4.193 23.886 15.583 366 HA ALA 47 HA ALA 47 7.129 24.097 15.456 367 HB1 ALA 47 HB1 ALA 47 6.587 25.069 17.657 368 HB2 ALA 47 HB2 ALA 47 5.599 23.646 18.048 369 HB3 ALA 47 HB3 ALA 47 7.356 23.482 17.833 370 H ILE 48 H ILE 48 8.138 21.938 15.888 371 HA ILE 48 HA ILE 48 6.600 19.769 14.656 372 HB ILE 48 HB ILE 48 9.350 19.779 15.928 373 HG12 ILE 48 HG12 ILE 48 8.726 19.621 12.947 374 HG13 ILE 48 HG13 ILE 48 8.920 21.174 13.743 375 HG21 ILE 48 HG21 ILE 48 8.423 17.500 15.953 376 HG22 ILE 48 HG22 ILE 48 7.941 17.641 14.251 377 HG23 ILE 48 HG23 ILE 48 9.658 17.598 14.702 378 HD11 ILE 48 HD11 ILE 48 11.193 20.518 14.512 379 HD12 ILE 48 HD12 ILE 48 11.035 19.005 13.571 380 HD13 ILE 48 HD13 ILE 48 11.027 20.577 12.752 381 H GLY 49 H GLY 49 5.299 18.367 15.661 382 HA2 GLY 49 HA2 GLY 49 5.109 18.300 18.620 383 HA3 GLY 49 HA3 GLY 49 3.986 17.598 17.447 384 H ARG 50 H ARG 50 5.398 15.955 15.919 385 HA ARG 50 HA ARG 50 7.270 14.288 17.419 386 HB2 ARG 50 HB2 ARG 50 6.030 12.266 17.476 387 HB3 ARG 50 HB3 ARG 50 5.068 13.488 18.296 388 HG2 ARG 50 HG2 ARG 50 3.571 13.622 16.341 389 HG3 ARG 50 HG3 ARG 50 4.600 12.462 15.468 390 HD2 ARG 50 HD2 ARG 50 4.209 10.869 17.456 391 HD3 ARG 50 HD3 ARG 50 2.927 11.963 17.956 392 HE ARG 50 HE ARG 50 1.834 11.576 15.755 393 HH11 ARG 50 HH11 ARG 50 4.031 9.000 16.893 394 HH12 ARG 50 HH12 ARG 50 3.561 7.982 15.546 395 HH21 ARG 50 HH21 ARG 50 1.200 10.057 14.255 396 HH22 ARG 50 HH22 ARG 50 1.936 8.472 14.253 397 H VAL 51 H VAL 51 8.115 12.505 16.231 398 HA VAL 51 HA VAL 51 7.661 12.558 13.291 399 HB VAL 51 HB VAL 51 10.451 12.191 14.399 400 HG11 VAL 51 HG11 VAL 51 10.092 11.158 12.251 401 HG12 VAL 51 HG12 VAL 51 9.350 12.628 11.610 402 HG13 VAL 51 HG13 VAL 51 11.079 12.597 12.028 403 HG21 VAL 51 HG21 VAL 51 11.003 14.441 13.518 404 HG22 VAL 51 HG22 VAL 51 9.274 14.753 13.264 405 HG23 VAL 51 HG23 VAL 51 9.917 14.519 14.904 406 H ASP 52 H ASP 52 7.226 10.593 12.507 407 HA ASP 52 HA ASP 52 7.785 8.197 14.224 408 HB2 ASP 52 HB2 ASP 52 5.449 9.074 14.232 409 HB3 ASP 52 HB3 ASP 52 5.332 8.708 12.514 410 H LEU 53 H LEU 53 9.366 7.114 13.304 411 HA LEU 53 HA LEU 53 9.904 7.295 10.441 412 HB2 LEU 53 HB2 LEU 53 11.399 5.903 12.695 413 HB3 LEU 53 HB3 LEU 53 11.954 6.061 11.043 414 HG LEU 53 HG LEU 53 13.129 7.634 12.228 415 HD11 LEU 53 HD11 LEU 53 12.523 9.801 11.284 416 HD12 LEU 53 HD12 LEU 53 12.245 8.509 10.106 417 HD13 LEU 53 HD13 LEU 53 10.877 9.240 10.976 418 HD21 LEU 53 HD21 LEU 53 11.760 7.773 14.287 419 HD22 LEU 53 HD22 LEU 53 12.359 9.341 13.713 420 HD23 LEU 53 HD23 LEU 53 10.668 8.919 13.448 421 H ARG 54 H ARG 54 7.957 5.216 12.212 422 HA ARG 54 HA ARG 54 8.272 2.802 10.569 423 HB2 ARG 54 HB2 ARG 54 5.931 3.814 12.254 424 HB3 ARG 54 HB3 ARG 54 6.057 2.202 11.547 425 HG2 ARG 54 HG2 ARG 54 7.907 1.575 12.905 426 HG3 ARG 54 HG3 ARG 54 8.183 3.220 13.477 427 HD2 ARG 54 HD2 ARG 54 5.671 1.636 14.110 428 HD3 ARG 54 HD3 ARG 54 7.093 1.752 15.163 429 HE ARG 54 HE ARG 54 5.870 4.299 14.253 430 HH11 ARG 54 HH11 ARG 54 6.488 2.231 17.042 431 HH12 ARG 54 HH12 ARG 54 6.013 3.503 18.139 432 HH21 ARG 54 HH21 ARG 54 5.032 5.672 15.660 433 HH22 ARG 54 HH22 ARG 54 5.379 5.473 17.378 434 H SER 55 H SER 55 6.662 5.865 10.208 435 HA SER 55 HA SER 55 5.482 4.986 7.588 436 HB2 SER 55 HB2 SER 55 4.395 7.024 9.559 437 HB3 SER 55 HB3 SER 55 3.687 6.609 7.982 438 HG SER 55 HG SER 55 2.695 5.482 9.721 439 H GLY 56 H GLY 56 7.689 7.181 9.076 440 HA2 GLY 56 HA2 GLY 56 9.082 8.745 8.124 441 HA3 GLY 56 HA3 GLY 56 8.328 8.488 6.540 442 H VAL 57 H VAL 57 6.549 9.365 9.504 443 HA VAL 57 HA VAL 57 5.601 11.835 8.118 444 HB VAL 57 HB VAL 57 4.263 10.166 10.256 445 HG11 VAL 57 HG11 VAL 57 3.619 12.525 10.583 446 HG12 VAL 57 HG12 VAL 57 3.297 12.695 8.844 447 HG13 VAL 57 HG13 VAL 57 2.283 11.647 9.849 448 HG21 VAL 57 HG21 VAL 57 4.210 9.157 7.991 449 HG22 VAL 57 HG22 VAL 57 2.607 9.708 8.482 450 HG23 VAL 57 HG23 VAL 57 3.558 10.668 7.327 451 H ILE 58 H ILE 58 6.094 13.720 8.789 452 HA ILE 58 HA ILE 58 7.013 14.284 11.578 453 HB ILE 58 HB ILE 58 7.332 15.742 8.935 454 HG12 ILE 58 HG12 ILE 58 9.437 14.840 10.938 455 HG13 ILE 58 HG13 ILE 58 8.921 13.865 9.563 456 HG21 ILE 58 HG21 ILE 58 6.795 17.477 10.561 457 HG22 ILE 58 HG22 ILE 58 7.978 16.811 11.724 458 HG23 ILE 58 HG23 ILE 58 8.506 17.554 10.197 459 HD11 ILE 58 HD11 ILE 58 9.660 15.732 8.041 460 HD12 ILE 58 HD12 ILE 58 10.370 16.527 9.472 461 HD13 ILE 58 HD13 ILE 58 10.953 14.939 8.968 462 H SER 59 H SER 59 5.393 14.853 12.874 463 HA SER 59 HA SER 59 2.873 16.014 11.764 464 HB2 SER 59 HB2 SER 59 2.750 13.881 13.053 465 HB3 SER 59 HB3 SER 59 3.423 14.742 14.452 466 HG SER 59 HG SER 59 1.123 14.686 14.511 467 H LEU 60 H LEU 60 2.445 18.119 12.093 468 HA LEU 60 HA LEU 60 4.085 19.660 14.051 469 HB2 LEU 60 HB2 LEU 60 2.350 20.751 11.842 470 HB3 LEU 60 HB3 LEU 60 3.554 21.607 12.793 471 HG LEU 60 HG LEU 60 4.072 19.478 10.679 472 HD11 LEU 60 HD11 LEU 60 3.490 21.686 9.818 473 HD12 LEU 60 HD12 LEU 60 4.728 22.440 10.841 474 HD13 LEU 60 HD13 LEU 60 5.200 21.345 9.527 475 HD21 LEU 60 HD21 LEU 60 6.063 20.905 12.477 476 HD22 LEU 60 HD22 LEU 60 5.762 19.159 12.412 477 HD23 LEU 60 HD23 LEU 60 6.487 19.956 11.029 478 H ILE 61 H ILE 61 3.196 21.215 15.388 479 HA ILE 61 HA ILE 61 0.287 21.144 15.992 480 HB ILE 61 HB ILE 61 0.761 21.023 18.408 481 HG12 ILE 61 HG12 ILE 61 2.956 19.781 19.045 482 HG13 ILE 61 HG13 ILE 61 3.643 20.456 17.590 483 HG21 ILE 61 HG21 ILE 61 0.989 18.618 18.519 484 HG22 ILE 61 HG22 ILE 61 0.036 19.058 17.101 485 HG23 ILE 61 HG23 ILE 61 1.729 18.566 16.911 486 HD11 ILE 61 HD11 ILE 61 2.420 22.061 19.872 487 HD12 ILE 61 HD12 ILE 61 4.150 21.765 19.637 488 HD13 ILE 61 HD13 ILE 61 3.272 22.740 18.460 489 H GLU 62 H GLU 62 -0.435 22.997 17.298 490 HA GLU 62 HA GLU 62 0.753 25.452 16.377 491 HB2 GLU 62 HB2 GLU 62 -1.360 25.088 18.541 492 HB3 GLU 62 HB3 GLU 62 -0.957 26.554 17.663 493 HG2 GLU 62 HG2 GLU 62 -2.781 25.962 16.482 494 HG3 GLU 62 HG3 GLU 62 -1.565 25.161 15.507 495 H GLU 63 H GLU 63 2.191 26.799 17.255 496 HA GLU 63 HA GLU 63 3.659 25.914 19.627 497 HB2 GLU 63 HB2 GLU 63 5.320 27.430 18.988 498 HB3 GLU 63 HB3 GLU 63 4.695 26.711 17.519 499 HG2 GLU 63 HG2 GLU 63 4.703 28.836 16.748 500 HG3 GLU 63 HG3 GLU 63 3.126 28.913 17.532 501 H GLN 64 H GLN 64 1.043 28.069 19.202 502 HA GLN 64 HA GLN 64 1.054 28.553 22.074 503 HB2 GLN 64 HB2 GLN 64 0.624 30.889 21.995 504 HB3 GLN 64 HB3 GLN 64 2.150 30.562 21.171 505 HG2 GLN 64 HG2 GLN 64 0.963 30.766 18.970 506 HG3 GLN 64 HG3 GLN 64 -0.519 31.209 19.823 507 HE21 GLN 64 HE21 GLN 64 2.896 32.229 19.313 508 HE22 GLN 64 HE22 GLN 64 2.576 33.942 19.647 509 H ASN 65 H ASN 65 -1.016 28.877 22.936 510 HA ASN 65 HA ASN 65 -3.097 27.546 21.339 511 HB2 ASN 65 HB2 ASN 65 -2.909 28.096 24.324 512 HB3 ASN 65 HB3 ASN 65 -4.118 27.081 23.538 513 HD21 ASN 65 HD21 ASN 65 -3.459 25.040 22.585 514 HD22 ASN 65 HD22 ASN 65 -1.951 24.299 23.110 515 H ARG 66 H ARG 66 -2.746 30.256 20.595 516 HA ARG 66 HA ARG 66 -5.447 31.352 21.031 517 HB2 ARG 66 HB2 ARG 66 -4.694 33.538 21.754 518 HB3 ARG 66 HB3 ARG 66 -4.180 32.296 22.903 519 HG2 ARG 66 HG2 ARG 66 -1.898 32.337 21.885 520 HG3 ARG 66 HG3 ARG 66 -2.417 33.640 20.811 521 HD2 ARG 66 HD2 ARG 66 -2.399 33.789 23.849 522 HD3 ARG 66 HD3 ARG 66 -1.129 34.399 22.808 523 HE ARG 66 HE ARG 66 -2.594 36.074 21.932 524 HH11 ARG 66 HH11 ARG 66 -4.032 34.460 24.692 525 HH12 ARG 66 HH12 ARG 66 -5.167 35.751 24.958 526 HH21 ARG 66 HH21 ARG 66 -4.059 37.665 22.327 527 HH22 ARG 66 HH22 ARG 66 -5.186 37.508 23.642 528 H1 GLY -3 H1 GLY -3 24.615 4.823 -2.242 529 H2 GLY -3 H2 GLY -3 23.441 4.644 -3.367 530 H3 GLY -3 H3 GLY -3 24.084 3.324 -2.638 531 HA2 GLY -3 HA2 GLY -3 21.901 3.772 -1.730 532 HA3 GLY -3 HA3 GLY -3 23.181 3.948 -0.518 533 HA PRO -2 HA PRO -2 20.967 8.144 -1.765 534 HB2 PRO -2 HB2 PRO -2 18.562 7.257 -0.173 535 HB3 PRO -2 HB3 PRO -2 18.629 8.330 -1.604 536 HG2 PRO -2 HG2 PRO -2 17.856 5.759 -1.891 537 HG3 PRO -2 HG3 PRO -2 19.025 6.462 -3.069 538 HD2 PRO -2 HD2 PRO -2 19.592 4.734 -0.640 539 HD3 PRO -2 HD3 PRO -2 20.213 4.571 -2.313 540 H GLY -1 H GLY -1 21.031 6.378 1.292 541 HA2 GLY -1 HA2 GLY -1 21.789 7.015 3.395 542 HA3 GLY -1 HA3 GLY -1 22.089 8.643 2.790 543 H SER 0 H SER 0 19.162 8.772 1.863 544 HA SER 0 HA SER 0 17.902 9.704 4.313 545 HB2 SER 0 HB2 SER 0 16.068 10.294 2.743 546 HB3 SER 0 HB3 SER 0 17.650 10.901 2.210 547 HG SER 0 HG SER 0 16.573 9.920 0.473 548 H MET 1 H MET 1 18.032 6.665 2.812 549 HA MET 1 HA MET 1 15.426 5.613 3.460 550 HB2 MET 1 HB2 MET 1 16.408 3.467 2.866 551 HB3 MET 1 HB3 MET 1 16.875 4.704 1.698 552 HG2 MET 1 HG2 MET 1 19.062 4.938 2.972 553 HG3 MET 1 HG3 MET 1 18.593 3.533 3.934 554 HE1 MET 1 HE1 MET 1 18.731 0.602 1.367 555 HE2 MET 1 HE2 MET 1 18.552 1.086 3.066 556 HE3 MET 1 HE3 MET 1 17.292 1.503 1.875 557 H CYS 2 H CYS 2 15.064 3.800 4.930 558 HA CYS 2 HA CYS 2 14.879 2.834 6.956 559 HB2 CYS 2 HB2 CYS 2 17.872 3.318 7.167 560 HB3 CYS 2 HB3 CYS 2 16.926 2.134 8.090 561 HG CYS 2 HG CYS 2 18.280 0.842 6.262 562 H MET 3 H MET 3 15.733 3.061 9.436 563 HA MET 3 HA MET 3 14.220 5.185 10.520 564 HB2 MET 3 HB2 MET 3 16.209 3.199 11.651 565 HB3 MET 3 HB3 MET 3 15.476 4.402 12.696 566 HG2 MET 3 HG2 MET 3 13.274 3.634 12.328 567 HG3 MET 3 HG3 MET 3 13.743 2.655 10.933 568 HE1 MET 3 HE1 MET 3 16.140 0.904 11.624 569 HE2 MET 3 HE2 MET 3 15.311 -0.507 12.306 570 HE3 MET 3 HE3 MET 3 14.594 0.359 10.931 571 H ALA 4 H ALA 4 14.827 6.780 12.060 572 HA ALA 4 HA ALA 4 16.921 8.546 11.095 573 HB1 ALA 4 HB1 ALA 4 14.967 8.757 13.423 574 HB2 ALA 4 HB2 ALA 4 16.006 10.071 12.834 575 HB3 ALA 4 HB3 ALA 4 14.759 9.410 11.773 576 H LYS 5 H LYS 5 18.293 9.690 12.664 577 HA LYS 5 HA LYS 5 19.114 8.201 15.081 578 HB2 LYS 5 HB2 LYS 5 21.495 8.693 14.713 579 HB3 LYS 5 HB3 LYS 5 20.815 7.523 13.590 580 HG2 LYS 5 HG2 LYS 5 20.683 9.284 11.824 581 HG3 LYS 5 HG3 LYS 5 21.411 10.449 12.948 582 HD2 LYS 5 HD2 LYS 5 23.424 9.037 13.135 583 HD3 LYS 5 HD3 LYS 5 22.725 7.841 12.045 584 HE2 LYS 5 HE2 LYS 5 23.298 10.740 11.272 585 HE3 LYS 5 HE3 LYS 5 24.434 9.423 11.037 586 HZ1 LYS 5 HZ1 LYS 5 23.121 9.863 9.026 587 HZ2 LYS 5 HZ2 LYS 5 22.854 8.343 9.561 588 HZ3 LYS 5 HZ3 LYS 5 21.740 9.517 9.776 589 H VAL 6 H VAL 6 19.452 9.432 16.825 590 HA VAL 6 HA VAL 6 18.726 12.322 16.579 591 HB VAL 6 HB VAL 6 18.374 10.316 18.807 592 HG11 VAL 6 HG11 VAL 6 17.991 13.324 19.010 593 HG12 VAL 6 HG12 VAL 6 17.396 12.136 20.188 594 HG13 VAL 6 HG13 VAL 6 19.125 12.340 19.952 595 HG21 VAL 6 HG21 VAL 6 16.663 10.589 16.918 596 HG22 VAL 6 HG22 VAL 6 16.065 10.733 18.582 597 HG23 VAL 6 HG23 VAL 6 16.335 12.188 17.603 598 H VAL 7 H VAL 7 19.987 13.910 17.390 599 HA VAL 7 HA VAL 7 22.323 13.220 19.083 600 HB VAL 7 HB VAL 7 23.243 13.458 16.857 601 HG11 VAL 7 HG11 VAL 7 23.204 15.574 15.616 602 HG12 VAL 7 HG12 VAL 7 21.569 14.946 15.809 603 HG13 VAL 7 HG13 VAL 7 22.122 16.296 16.822 604 HG21 VAL 7 HG21 VAL 7 24.542 14.292 18.828 605 HG22 VAL 7 HG22 VAL 7 24.961 15.078 17.306 606 HG23 VAL 7 HG23 VAL 7 23.959 15.935 18.490 607 H LEU 8 H LEU 8 22.731 14.527 20.730 608 HA LEU 8 HA LEU 8 21.438 17.150 21.036 609 HB2 LEU 8 HB2 LEU 8 20.282 16.546 23.057 610 HB3 LEU 8 HB3 LEU 8 19.698 15.557 21.736 611 HG LEU 8 HG LEU 8 21.891 14.388 23.437 612 HD11 LEU 8 HD11 LEU 8 20.443 15.422 25.123 613 HD12 LEU 8 HD12 LEU 8 19.023 14.627 24.391 614 HD13 LEU 8 HD13 LEU 8 20.304 13.659 25.154 615 HD21 LEU 8 HD21 LEU 8 19.299 13.241 22.308 616 HD22 LEU 8 HD22 LEU 8 20.913 13.037 21.597 617 HD23 LEU 8 HD23 LEU 8 20.543 12.325 23.172 618 H THR 9 H THR 9 22.035 18.145 23.151 619 HA THR 9 HA THR 9 24.639 17.175 24.244 620 HB THR 9 HB THR 9 24.043 20.128 24.140 621 HG1 THR 9 HG1 THR 9 23.958 19.556 22.022 622 HG21 THR 9 HG21 THR 9 25.911 19.298 25.550 623 HG22 THR 9 HG22 THR 9 26.621 18.492 24.139 624 HG23 THR 9 HG23 THR 9 26.501 20.265 24.194 625 H LYS 10 H LYS 10 24.664 16.937 26.390 626 HA LYS 10 HA LYS 10 22.301 17.448 28.029 627 HB2 LYS 10 HB2 LYS 10 25.097 16.424 28.705 628 HB3 LYS 10 HB3 LYS 10 23.738 16.480 29.838 629 HG2 LYS 10 HG2 LYS 10 22.422 14.990 28.380 630 HG3 LYS 10 HG3 LYS 10 23.759 14.886 27.238 631 HD2 LYS 10 HD2 LYS 10 23.875 13.978 30.144 632 HD3 LYS 10 HD3 LYS 10 23.580 12.925 28.764 633 HE2 LYS 10 HE2 LYS 10 25.793 13.560 27.798 634 HE3 LYS 10 HE3 LYS 10 26.108 14.562 29.229 635 HZ1 LYS 10 HZ1 LYS 10 25.944 12.555 30.599 636 HZ2 LYS 10 HZ2 LYS 10 25.657 11.626 29.283 637 HZ3 LYS 10 HZ3 LYS 10 27.103 12.364 29.473 638 H ALA 11 H ALA 11 22.353 18.585 30.093 639 HA ALA 11 HA ALA 11 23.205 21.301 29.906 640 HB1 ALA 11 HB1 ALA 11 21.292 20.494 31.268 641 HB2 ALA 11 HB2 ALA 11 22.416 19.636 32.345 642 HB3 ALA 11 HB3 ALA 11 22.450 21.403 32.254 643 H ASP 12 H ASP 12 24.914 18.477 31.105 644 HA ASP 12 HA ASP 12 27.093 19.928 32.406 645 HB2 ASP 12 HB2 ASP 12 26.861 17.053 31.439 646 HB3 ASP 12 HB3 ASP 12 28.160 17.686 32.448 647 H GLY 13 H GLY 13 26.311 19.772 29.167 648 HA2 GLY 13 HA2 GLY 13 27.480 20.570 27.344 649 HA3 GLY 13 HA3 GLY 13 28.994 20.510 28.252 650 H GLY 14 H GLY 14 27.646 17.483 28.630 651 HA2 GLY 14 HA2 GLY 14 29.474 16.218 26.750 652 HA3 GLY 14 HA3 GLY 14 28.379 15.409 27.855 653 H ARG 15 H ARG 15 29.032 15.309 24.801 654 HA ARG 15 HA ARG 15 26.415 15.612 23.502 655 HB2 ARG 15 HB2 ARG 15 29.170 14.648 22.684 656 HB3 ARG 15 HB3 ARG 15 27.792 14.223 21.672 657 HG2 ARG 15 HG2 ARG 15 28.151 17.073 22.577 658 HG3 ARG 15 HG3 ARG 15 29.126 16.473 21.227 659 HD2 ARG 15 HD2 ARG 15 27.264 16.140 19.834 660 HD3 ARG 15 HD3 ARG 15 26.141 16.011 21.185 661 HE ARG 15 HE ARG 15 25.968 18.307 21.386 662 HH11 ARG 15 HH11 ARG 15 28.407 17.725 18.921 663 HH12 ARG 15 HH12 ARG 15 28.475 19.424 18.509 664 HH21 ARG 15 HH21 ARG 15 26.089 20.334 20.850 665 HH22 ARG 15 HH22 ARG 15 27.160 20.894 19.575 666 H VAL 16 H VAL 16 25.110 14.081 22.735 667 HA VAL 16 HA VAL 16 25.552 11.220 23.383 668 HB VAL 16 HB VAL 16 22.996 12.682 24.118 669 HG11 VAL 16 HG11 VAL 16 22.197 10.507 24.972 670 HG12 VAL 16 HG12 VAL 16 22.425 10.473 23.227 671 HG13 VAL 16 HG13 VAL 16 23.634 9.716 24.296 672 HG21 VAL 16 HG21 VAL 16 25.024 11.255 25.872 673 HG22 VAL 16 HG22 VAL 16 24.667 12.999 25.841 674 HG23 VAL 16 HG23 VAL 16 23.448 11.867 26.409 675 H GLU 17 H GLU 17 24.893 9.876 21.833 676 HA GLU 17 HA GLU 17 23.233 10.845 19.563 677 HB2 GLU 17 HB2 GLU 17 25.863 9.342 19.356 678 HB3 GLU 17 HB3 GLU 17 24.711 9.567 18.027 679 HG2 GLU 17 HG2 GLU 17 24.957 12.011 18.209 680 HG3 GLU 17 HG3 GLU 17 26.144 11.818 19.499 681 H ILE 18 H ILE 18 21.813 9.369 18.736 682 HA ILE 18 HA ILE 18 21.697 6.637 19.968 683 HB ILE 18 HB ILE 18 19.375 8.569 19.714 684 HG12 ILE 18 HG12 ILE 18 20.748 7.690 22.299 685 HG13 ILE 18 HG13 ILE 18 20.989 9.255 21.512 686 HG21 ILE 18 HG21 ILE 18 18.091 6.878 20.972 687 HG22 ILE 18 HG22 ILE 18 18.736 6.167 19.494 688 HG23 ILE 18 HG23 ILE 18 19.522 5.830 21.046 689 HD11 ILE 18 HD11 ILE 18 18.400 8.288 22.715 690 HD12 ILE 18 HD12 ILE 18 19.456 9.601 23.257 691 HD13 ILE 18 HD13 ILE 18 18.588 9.779 21.729 692 H GLY 19 H GLY 19 21.484 5.099 18.493 693 HA2 GLY 19 HA2 GLY 19 20.786 5.757 15.679 694 HA3 GLY 19 HA3 GLY 19 21.615 4.322 16.256 695 H ASP 20 H ASP 20 19.588 4.156 14.434 696 HA ASP 20 HA ASP 20 17.597 3.225 13.880 697 HB2 ASP 20 HB2 ASP 20 17.994 1.349 16.205 698 HB3 ASP 20 HB3 ASP 20 17.166 1.077 14.673 699 H VAL 21 H VAL 21 17.034 5.524 15.026 700 HA VAL 21 HA VAL 21 15.143 5.311 17.240 701 HB VAL 21 HB VAL 21 15.908 7.644 15.459 702 HG11 VAL 21 HG11 VAL 21 13.632 8.025 16.254 703 HG12 VAL 21 HG12 VAL 21 14.101 7.563 17.914 704 HG13 VAL 21 HG13 VAL 21 14.763 9.032 17.150 705 HG21 VAL 21 HG21 VAL 21 17.673 6.826 16.996 706 HG22 VAL 21 HG22 VAL 21 17.072 8.403 17.483 707 HG23 VAL 21 HG23 VAL 21 16.543 6.949 18.362 708 H LEU 22 H LEU 22 13.119 4.818 17.153 709 HA LEU 22 HA LEU 22 11.834 4.270 14.553 710 HB2 LEU 22 HB2 LEU 22 12.229 2.597 16.492 711 HB3 LEU 22 HB3 LEU 22 11.014 3.504 17.376 712 HG LEU 22 HG LEU 22 9.372 2.959 15.514 713 HD11 LEU 22 HD11 LEU 22 10.951 2.418 13.698 714 HD12 LEU 22 HD12 LEU 22 11.635 1.098 14.657 715 HD13 LEU 22 HD13 LEU 22 9.962 1.013 14.066 716 HD21 LEU 22 HD21 LEU 22 10.676 0.596 16.926 717 HD22 LEU 22 HD22 LEU 22 9.457 1.677 17.638 718 HD23 LEU 22 HD23 LEU 22 9.031 0.640 16.268 719 H GLU 23 H GLU 23 11.400 6.266 17.451 720 HA GLU 23 HA GLU 23 9.615 8.087 16.057 721 HB2 GLU 23 HB2 GLU 23 7.960 6.488 16.825 722 HB3 GLU 23 HB3 GLU 23 8.624 6.485 18.458 723 HG2 GLU 23 HG2 GLU 23 7.893 8.772 18.836 724 HG3 GLU 23 HG3 GLU 23 7.425 8.944 17.138 725 H VAL 24 H VAL 24 9.603 10.160 16.974 726 HA VAL 24 HA VAL 24 10.704 10.502 19.715 727 HB VAL 24 HB VAL 24 11.966 12.434 19.268 728 HG11 VAL 24 HG11 VAL 24 13.814 11.612 17.965 729 HG12 VAL 24 HG12 VAL 24 13.094 10.232 18.819 730 HG13 VAL 24 HG13 VAL 24 12.778 10.462 17.098 731 HG21 VAL 24 HG21 VAL 24 11.288 12.250 16.337 732 HG22 VAL 24 HG22 VAL 24 10.657 13.478 17.455 733 HG23 VAL 24 HG23 VAL 24 12.380 13.425 17.089 734 H ARG 25 H ARG 25 9.877 12.266 20.864 735 HA ARG 25 HA ARG 25 7.573 13.792 19.707 736 HB2 ARG 25 HB2 ARG 25 7.458 12.267 22.349 737 HB3 ARG 25 HB3 ARG 25 6.213 13.336 21.694 738 HG2 ARG 25 HG2 ARG 25 5.955 11.787 19.751 739 HG3 ARG 25 HG3 ARG 25 7.121 10.681 20.507 740 HD2 ARG 25 HD2 ARG 25 5.624 10.451 22.461 741 HD3 ARG 25 HD3 ARG 25 4.477 11.582 21.716 742 HE ARG 25 HE ARG 25 4.956 9.522 19.824 743 HH11 ARG 25 HH11 ARG 25 3.397 9.702 22.972 744 HH12 ARG 25 HH12 ARG 25 2.409 8.296 22.642 745 HH21 ARG 25 HH21 ARG 25 3.843 7.779 19.527 746 HH22 ARG 25 HH22 ARG 25 2.675 7.186 20.705 747 H ALA 26 H ALA 26 7.328 15.820 20.489 748 HA ALA 26 HA ALA 26 9.173 16.801 22.633 749 HB1 ALA 26 HB1 ALA 26 9.330 18.051 20.530 750 HB2 ALA 26 HB2 ALA 26 7.573 18.330 20.545 751 HB3 ALA 26 HB3 ALA 26 8.613 19.047 21.808 752 H GLU 27 H GLU 27 8.282 17.129 24.606 753 HA GLU 27 HA GLU 27 5.373 17.533 24.963 754 HB2 GLU 27 HB2 GLU 27 5.705 15.068 24.565 755 HB3 GLU 27 HB3 GLU 27 6.766 15.011 25.972 756 HG2 GLU 27 HG2 GLU 27 4.861 15.792 27.402 757 HG3 GLU 27 HG3 GLU 27 3.842 15.876 25.964 758 H GLY 28 H GLY 28 5.036 18.843 26.690 759 HA2 GLY 28 HA2 GLY 28 5.210 19.821 28.738 760 HA3 GLY 28 HA3 GLY 28 5.934 18.301 29.274 761 H GLY 29 H GLY 29 7.489 20.489 26.934 762 HA2 GLY 29 HA2 GLY 29 9.387 21.824 27.097 763 HA3 GLY 29 HA3 GLY 29 9.332 21.727 28.853 764 H ALA 30 H ALA 30 9.326 18.764 26.985 765 HA ALA 30 HA ALA 30 12.240 18.313 27.239 766 HB1 ALA 30 HB1 ALA 30 11.053 17.397 29.276 767 HB2 ALA 30 HB2 ALA 30 10.066 16.399 28.210 768 HB3 ALA 30 HB3 ALA 30 11.816 16.129 28.292 769 H VAL 31 H VAL 31 12.905 16.358 26.030 770 HA VAL 31 HA VAL 31 11.031 15.608 23.812 771 HB VAL 31 HB VAL 31 14.045 15.790 23.667 772 HG11 VAL 31 HG11 VAL 31 13.439 13.760 22.454 773 HG12 VAL 31 HG12 VAL 31 12.069 14.584 21.674 774 HG13 VAL 31 HG13 VAL 31 13.729 15.031 21.271 775 HG21 VAL 31 HG21 VAL 31 12.721 17.881 23.302 776 HG22 VAL 31 HG22 VAL 31 13.587 17.371 21.864 777 HG23 VAL 31 HG23 VAL 31 11.837 17.076 21.992 778 H ARG 32 H ARG 32 10.621 13.546 23.464 779 HA ARG 32 HA ARG 32 11.997 11.444 25.108 780 HB2 ARG 32 HB2 ARG 32 9.081 11.611 24.247 781 HB3 ARG 32 HB3 ARG 32 9.829 10.174 24.963 782 HG2 ARG 32 HG2 ARG 32 10.270 11.346 27.045 783 HG3 ARG 32 HG3 ARG 32 9.774 12.887 26.346 784 HD2 ARG 32 HD2 ARG 32 7.969 12.113 27.704 785 HD3 ARG 32 HD3 ARG 32 7.479 11.971 26.010 786 HE ARG 32 HE ARG 32 8.642 9.487 26.969 787 HH11 ARG 32 HH11 ARG 32 5.593 11.279 27.115 788 HH12 ARG 32 HH12 ARG 32 4.718 9.820 27.527 789 HH21 ARG 32 HH21 ARG 32 7.530 7.810 27.430 790 HH22 ARG 32 HH22 ARG 32 5.779 7.850 27.684 791 H VAL 33 H VAL 33 12.578 9.599 24.072 792 HA VAL 33 HA VAL 33 12.065 9.351 21.138 793 HB VAL 33 HB VAL 33 14.307 9.024 20.533 794 HG11 VAL 33 HG11 VAL 33 14.429 11.444 22.379 795 HG12 VAL 33 HG12 VAL 33 15.327 11.176 20.882 796 HG13 VAL 33 HG13 VAL 33 13.579 11.443 20.818 797 HG21 VAL 33 HG21 VAL 33 15.231 7.843 22.446 798 HG22 VAL 33 HG22 VAL 33 16.218 9.254 22.076 799 HG23 VAL 33 HG23 VAL 33 15.087 9.314 23.447 800 H THR 34 H THR 34 11.992 7.337 20.299 801 HA THR 34 HA THR 34 12.244 5.016 22.180 802 HB THR 34 HB THR 34 10.076 5.495 20.107 803 HG1 THR 34 HG1 THR 34 9.805 6.691 21.995 804 HG21 THR 34 HG21 THR 34 10.561 3.087 20.298 805 HG22 THR 34 HG22 THR 34 10.467 3.194 22.070 806 HG23 THR 34 HG23 THR 34 9.023 3.482 21.077 807 H THR 35 H THR 35 13.354 3.279 21.408 808 HA THR 35 HA THR 35 14.543 3.527 18.678 809 HB THR 35 HB THR 35 16.297 2.084 19.440 810 HG1 THR 35 HG1 THR 35 16.302 1.432 21.657 811 HG21 THR 35 HG21 THR 35 17.346 3.464 21.137 812 HG22 THR 35 HG22 THR 35 16.467 4.506 20.015 813 HG23 THR 35 HG23 THR 35 15.778 4.155 21.623 814 H LEU 36 H LEU 36 15.064 1.582 17.518 815 HA LEU 36 HA LEU 36 13.076 -0.200 16.787 816 HB2 LEU 36 HB2 LEU 36 15.197 0.252 15.626 817 HB3 LEU 36 HB3 LEU 36 16.107 -0.492 16.942 818 HG LEU 36 HG LEU 36 15.082 -2.705 16.369 819 HD11 LEU 36 HD11 LEU 36 13.955 -2.883 14.129 820 HD12 LEU 36 HD12 LEU 36 13.013 -1.932 15.295 821 HD13 LEU 36 HD13 LEU 36 13.957 -1.109 14.036 822 HD21 LEU 36 HD21 LEU 36 17.283 -2.066 15.514 823 HD22 LEU 36 HD22 LEU 36 16.400 -3.047 14.327 824 HD23 LEU 36 HD23 LEU 36 16.529 -1.289 14.106 825 H PHE 37 H PHE 37 15.280 -0.521 19.507 826 HA PHE 37 HA PHE 37 14.682 -3.312 20.058 827 HB2 PHE 37 HB2 PHE 37 16.201 -1.323 21.767 828 HB3 PHE 37 HB3 PHE 37 16.327 -3.084 21.792 829 HD1 PHE 37 HD1 PHE 37 16.997 -4.200 19.453 830 HD2 PHE 37 HD2 PHE 37 17.800 -0.092 20.517 831 HE1 PHE 37 HE1 PHE 37 18.702 -4.061 17.654 832 HE2 PHE 37 HE2 PHE 37 19.504 0.032 18.728 833 HZ PHE 37 HZ PHE 37 19.955 -1.941 17.281 834 H ASP 38 H ASP 38 12.698 -0.821 20.478 835 HA ASP 38 HA ASP 38 10.973 -0.260 21.734 836 HB2 ASP 38 HB2 ASP 38 10.409 -2.691 21.393 837 HB3 ASP 38 HB3 ASP 38 11.031 -3.015 23.013 838 H GLU 39 H GLU 39 13.730 0.132 22.760 839 HA GLU 39 HA GLU 39 13.186 0.707 25.624 840 HB2 GLU 39 HB2 GLU 39 15.651 1.110 23.876 841 HB3 GLU 39 HB3 GLU 39 15.488 1.831 25.467 842 HG2 GLU 39 HG2 GLU 39 15.404 -1.129 24.843 843 HG3 GLU 39 HG3 GLU 39 16.767 -0.243 25.534 844 H GLU 40 H GLU 40 13.391 2.832 26.419 845 HA GLU 40 HA GLU 40 12.718 5.027 24.557 846 HB2 GLU 40 HB2 GLU 40 10.625 3.956 25.181 847 HB3 GLU 40 HB3 GLU 40 10.959 4.181 26.895 848 HG2 GLU 40 HG2 GLU 40 11.008 6.610 25.115 849 HG3 GLU 40 HG3 GLU 40 9.456 5.814 25.350 850 H HIS 41 H HIS 41 13.358 7.014 25.190 851 HA HIS 41 HA HIS 41 14.703 7.373 27.826 852 HB2 HIS 41 HB2 HIS 41 15.933 8.212 25.177 853 HB3 HIS 41 HB3 HIS 41 16.640 8.367 26.778 854 HD2 HIS 41 HD2 HIS 41 16.295 5.980 23.870 855 HE1 HIS 41 HE1 HIS 41 18.217 3.723 26.932 856 HE2 HIS 41 HE2 HIS 41 17.557 3.749 24.466 857 H ALA 42 H ALA 42 14.949 9.576 28.474 858 HA ALA 42 HA ALA 42 13.289 11.576 27.038 859 HB1 ALA 42 HB1 ALA 42 12.946 10.854 29.981 860 HB2 ALA 42 HB2 ALA 42 12.078 12.128 29.100 861 HB3 ALA 42 HB3 ALA 42 11.812 10.419 28.687 862 H PHE 43 H PHE 43 13.887 13.625 27.219 863 HA PHE 43 HA PHE 43 16.316 14.340 28.812 864 HB2 PHE 43 HB2 PHE 43 15.838 14.872 25.883 865 HB3 PHE 43 HB3 PHE 43 17.240 15.356 26.835 866 HD1 PHE 43 HD1 PHE 43 15.836 12.806 24.734 867 HD2 PHE 43 HD2 PHE 43 18.625 13.446 27.963 868 HE1 PHE 43 HE1 PHE 43 16.948 10.639 24.213 869 HE2 PHE 43 HE2 PHE 43 19.716 11.268 27.456 870 HZ PHE 43 HZ PHE 43 18.867 9.864 25.585 871 HA PRO 44 HA PRO 44 13.216 17.634 29.599 872 HB2 PRO 44 HB2 PRO 44 15.070 17.971 31.944 873 HB3 PRO 44 HB3 PRO 44 13.282 18.053 31.893 874 HG2 PRO 44 HG2 PRO 44 14.491 15.828 32.829 875 HG3 PRO 44 HG3 PRO 44 13.098 15.672 31.703 876 HD2 PRO 44 HD2 PRO 44 16.061 15.507 31.060 877 HD3 PRO 44 HD3 PRO 44 14.728 14.416 30.560 878 H GLY 45 H GLY 45 13.272 19.800 29.219 879 HA2 GLY 45 HA2 GLY 45 14.105 21.942 28.939 880 HA3 GLY 45 HA3 GLY 45 15.740 21.379 29.295 881 H LEU 46 H LEU 46 14.301 19.438 26.883 882 HA LEU 46 HA LEU 46 15.646 20.972 24.702 883 HB2 LEU 46 HB2 LEU 46 15.093 17.988 24.913 884 HB3 LEU 46 HB3 LEU 46 15.818 18.802 23.527 885 HG LEU 46 HG LEU 46 17.048 18.521 26.310 886 HD11 LEU 46 HD11 LEU 46 18.665 17.133 25.187 887 HD12 LEU 46 HD12 LEU 46 17.047 16.535 24.751 888 HD13 LEU 46 HD13 LEU 46 17.969 17.501 23.592 889 HD21 LEU 46 HD21 LEU 46 18.149 19.934 23.840 890 HD22 LEU 46 HD22 LEU 46 17.765 20.675 25.417 891 HD23 LEU 46 HD23 LEU 46 19.092 19.514 25.291 892 H ALA 47 H ALA 47 14.799 20.885 22.616 893 HA ALA 47 HA ALA 47 12.081 19.857 22.115 894 HB1 ALA 47 HB1 ALA 47 11.480 21.928 20.881 895 HB2 ALA 47 HB2 ALA 47 11.699 22.225 22.609 896 HB3 ALA 47 HB3 ALA 47 12.973 22.693 21.460 897 H ILE 48 H ILE 48 11.718 19.525 19.760 898 HA ILE 48 HA ILE 48 14.124 18.627 18.357 899 HB ILE 48 HB ILE 48 11.240 18.834 17.420 900 HG12 ILE 48 HG12 ILE 48 12.638 16.206 18.017 901 HG13 ILE 48 HG13 ILE 48 11.939 17.130 19.350 902 HG21 ILE 48 HG21 ILE 48 12.749 18.840 15.485 903 HG22 ILE 48 HG22 ILE 48 13.652 17.460 16.144 904 HG23 ILE 48 HG23 ILE 48 11.976 17.260 15.605 905 HD11 ILE 48 HD11 ILE 48 9.724 17.128 18.185 906 HD12 ILE 48 HD12 ILE 48 10.432 16.080 16.929 907 HD13 ILE 48 HD13 ILE 48 10.325 15.516 18.602 908 H GLY 49 H GLY 49 15.472 20.038 17.409 909 HA2 GLY 49 HA2 GLY 49 14.626 22.780 16.728 910 HA3 GLY 49 HA3 GLY 49 16.270 22.108 16.669 911 H ARG 50 H ARG 50 15.986 19.954 15.005 912 HA ARG 50 HA ARG 50 14.658 20.690 12.499 913 HB2 ARG 50 HB2 ARG 50 16.735 20.668 11.141 914 HB3 ARG 50 HB3 ARG 50 16.616 22.055 12.231 915 HG2 ARG 50 HG2 ARG 50 18.252 21.147 13.732 916 HG3 ARG 50 HG3 ARG 50 18.198 19.562 12.947 917 HD2 ARG 50 HD2 ARG 50 20.241 20.900 12.438 918 HD3 ARG 50 HD3 ARG 50 19.367 20.284 11.053 919 HE ARG 50 HE ARG 50 19.468 23.134 11.980 920 HH11 ARG 50 HH11 ARG 50 18.658 20.889 9.339 921 HH12 ARG 50 HH12 ARG 50 18.415 22.235 8.233 922 HH21 ARG 50 HH21 ARG 50 19.181 24.718 10.420 923 HH22 ARG 50 HH22 ARG 50 18.787 24.248 8.790 924 H VAL 51 H VAL 51 14.815 19.175 10.856 925 HA VAL 51 HA VAL 51 15.810 16.451 11.538 926 HB VAL 51 HB VAL 51 13.166 16.881 10.108 927 HG11 VAL 51 HG11 VAL 51 12.915 14.468 10.496 928 HG12 VAL 51 HG12 VAL 51 14.431 14.777 9.642 929 HG13 VAL 51 HG13 VAL 51 14.459 14.423 11.375 930 HG21 VAL 51 HG21 VAL 51 13.589 16.175 13.042 931 HG22 VAL 51 HG22 VAL 51 12.750 17.609 12.405 932 HG23 VAL 51 HG23 VAL 51 12.054 16.018 12.150 933 H ASP 52 H ASP 52 17.362 16.083 10.111 934 HA ASP 52 HA ASP 52 17.274 17.282 7.367 935 HB2 ASP 52 HB2 ASP 52 19.602 16.094 8.885 936 HB3 ASP 52 HB3 ASP 52 19.663 16.846 7.289 937 H LEU 53 H LEU 53 15.853 15.826 6.372 938 HA LEU 53 HA LEU 53 15.928 12.999 6.778 939 HB2 LEU 53 HB2 LEU 53 14.685 14.625 4.516 940 HB3 LEU 53 HB3 LEU 53 14.432 12.921 4.767 941 HG LEU 53 HG LEU 53 12.533 14.060 5.497 942 HD11 LEU 53 HD11 LEU 53 13.193 12.111 6.838 943 HD12 LEU 53 HD12 LEU 53 14.051 13.170 7.977 944 HD13 LEU 53 HD13 LEU 53 12.293 13.287 7.801 945 HD21 LEU 53 HD21 LEU 53 14.075 15.652 7.545 946 HD22 LEU 53 HD22 LEU 53 13.533 16.279 5.968 947 HD23 LEU 53 HD23 LEU 53 12.347 15.735 7.156 948 H ARG 54 H ARG 54 17.913 14.919 4.724 949 HA ARG 54 HA ARG 54 18.679 13.018 2.719 950 HB2 ARG 54 HB2 ARG 54 20.457 15.100 4.039 951 HB3 ARG 54 HB3 ARG 54 20.671 14.357 2.449 952 HG2 ARG 54 HG2 ARG 54 18.517 15.444 1.707 953 HG3 ARG 54 HG3 ARG 54 18.441 16.265 3.270 954 HD2 ARG 54 HD2 ARG 54 20.846 17.121 2.728 955 HD3 ARG 54 HD3 ARG 54 20.515 16.593 1.085 956 HE ARG 54 HE ARG 54 18.990 18.374 0.819 957 HH11 ARG 54 HH11 ARG 54 19.970 18.303 4.225 958 HH12 ARG 54 HH12 ARG 54 19.223 19.890 4.484 959 HH21 ARG 54 HH21 ARG 54 18.103 20.392 1.390 960 HH22 ARG 54 HH22 ARG 54 18.271 20.925 3.069 961 H SER 55 H SER 55 19.523 13.146 6.081 962 HA SER 55 HA SER 55 21.071 10.602 5.836 963 HB2 SER 55 HB2 SER 55 22.591 12.552 6.033 964 HB3 SER 55 HB3 SER 55 21.831 12.969 7.574 965 HG SER 55 HG SER 55 23.871 11.676 7.560 966 H GLY 56 H GLY 56 18.343 12.000 7.079 967 HA2 GLY 56 HA2 GLY 56 16.792 11.346 8.633 968 HA3 GLY 56 HA3 GLY 56 17.737 9.881 8.936 969 H VAL 57 H VAL 57 19.133 13.114 9.355 970 HA VAL 57 HA VAL 57 19.717 12.465 12.174 971 HB VAL 57 HB VAL 57 20.605 14.790 10.450 972 HG11 VAL 57 HG11 VAL 57 20.554 15.586 12.766 973 HG12 VAL 57 HG12 VAL 57 21.348 14.088 13.322 974 HG13 VAL 57 HG13 VAL 57 22.215 15.258 12.298 975 HG21 VAL 57 HG21 VAL 57 22.127 12.432 11.628 976 HG22 VAL 57 HG22 VAL 57 21.616 12.550 9.927 977 HG23 VAL 57 HG23 VAL 57 22.788 13.702 10.566 978 H ILE 58 H ILE 58 18.407 12.930 13.737 979 HA ILE 58 HA ILE 58 16.616 15.337 13.673 980 HB ILE 58 HB ILE 58 16.701 12.835 15.379 981 HG12 ILE 58 HG12 ILE 58 14.418 13.953 13.698 982 HG13 ILE 58 HG13 ILE 58 15.599 12.808 13.075 983 HG21 ILE 58 HG21 ILE 58 14.958 15.314 15.793 984 HG22 ILE 58 HG22 ILE 58 14.744 13.756 16.631 985 HG23 ILE 58 HG23 ILE 58 16.198 14.685 16.904 986 HD11 ILE 58 HD11 ILE 58 13.632 12.305 15.327 987 HD12 ILE 58 HD12 ILE 58 13.638 11.578 13.719 988 HD13 ILE 58 HD13 ILE 58 14.934 11.182 14.868 989 H SER 59 H SER 59 17.428 17.141 14.585 990 HA SER 59 HA SER 59 19.627 16.891 16.630 991 HB2 SER 59 HB2 SER 59 20.155 18.115 14.473 992 HB3 SER 59 HB3 SER 59 18.951 19.322 14.979 993 HG SER 59 HG SER 59 21.095 19.877 15.618 994 H LEU 60 H LEU 60 19.156 17.405 18.642 995 HA LEU 60 HA LEU 60 16.643 18.885 19.249 996 HB2 LEU 60 HB2 LEU 60 18.391 17.373 21.188 997 HB3 LEU 60 HB3 LEU 60 16.753 17.968 21.429 998 HG LEU 60 HG LEU 60 17.602 15.653 19.632 999 HD11 LEU 60 HD11 LEU 60 15.896 15.817 22.152 1000 HD12 LEU 60 HD12 LEU 60 16.173 14.348 21.181 1001 HD13 LEU 60 HD13 LEU 60 17.516 15.121 22.020 1002 HD21 LEU 60 HD21 LEU 60 15.150 15.309 19.246 1003 HD22 LEU 60 HD22 LEU 60 14.831 16.880 20.016 1004 HD23 LEU 60 HD23 LEU 60 15.750 16.783 18.501 1005 H ILE 61 H ILE 61 16.569 20.706 20.476 1006 HA ILE 61 HA ILE 61 19.113 22.098 21.161 1007 HB ILE 61 HB ILE 61 18.216 24.199 20.292 1008 HG12 ILE 61 HG12 ILE 61 16.343 23.956 18.485 1009 HG13 ILE 61 HG13 ILE 61 15.814 22.567 19.418 1010 HG21 ILE 61 HG21 ILE 61 18.628 23.775 17.957 1011 HG22 ILE 61 HG22 ILE 61 19.695 22.764 18.931 1012 HG23 ILE 61 HG23 ILE 61 18.269 22.048 18.142 1013 HD11 ILE 61 HD11 ILE 61 14.623 24.709 19.921 1014 HD12 ILE 61 HD12 ILE 61 15.401 24.049 21.361 1015 HD13 ILE 61 HD13 ILE 61 16.137 25.417 20.489 1016 H GLU 62 H GLU 62 18.939 23.759 22.774 1017 HA GLU 62 HA GLU 62 17.319 23.009 25.002 1018 HB2 GLU 62 HB2 GLU 62 18.881 25.595 24.552 1019 HB3 GLU 62 HB3 GLU 62 18.204 25.021 26.060 1020 HG2 GLU 62 HG2 GLU 62 20.387 24.389 26.304 1021 HG3 GLU 62 HG3 GLU 62 19.655 22.895 25.746 1022 H GLU 63 H GLU 63 15.226 23.402 25.376 1023 HA GLU 63 HA GLU 63 13.675 25.142 23.676 1024 HB2 GLU 63 HB2 GLU 63 11.781 24.265 24.766 1025 HB3 GLU 63 HB3 GLU 63 12.943 22.976 24.626 1026 HG2 GLU 63 HG2 GLU 63 12.395 22.530 26.741 1027 HG3 GLU 63 HG3 GLU 63 13.612 23.730 27.115 1028 H GLN 64 H GLN 64 15.244 25.654 26.710 1029 HA GLN 64 HA GLN 64 13.915 28.235 27.173 1030 HB2 GLN 64 HB2 GLN 64 16.098 26.815 28.763 1031 HB3 GLN 64 HB3 GLN 64 15.213 28.270 29.275 1032 HG2 GLN 64 HG2 GLN 64 13.080 26.926 29.171 1033 HG3 GLN 64 HG3 GLN 64 14.058 25.496 28.830 1034 HE21 GLN 64 HE21 GLN 64 12.626 24.929 30.804 1035 HE22 GLN 64 HE22 GLN 64 13.404 25.177 32.376 1036 H ASN 65 H ASN 65 15.983 27.381 25.108 1037 HA ASN 65 HA ASN 65 17.746 28.167 23.890 1038 HB2 ASN 65 HB2 ASN 65 16.285 30.733 24.489 1039 HB3 ASN 65 HB3 ASN 65 17.361 30.457 23.119 1040 HD21 ASN 65 HD21 ASN 65 15.991 27.568 22.848 1041 HD22 ASN 65 HD22 ASN 65 14.543 28.051 21.978 1042 H ARG 66 H ARG 66 18.612 27.829 26.563 1043 HA ARG 66 HA ARG 66 20.181 30.040 27.564 1044 HB2 ARG 66 HB2 ARG 66 20.254 27.056 28.184 1045 HB3 ARG 66 HB3 ARG 66 21.164 28.286 29.062 1046 HG2 ARG 66 HG2 ARG 66 19.053 29.427 29.706 1047 HG3 ARG 66 HG3 ARG 66 18.120 28.194 28.831 1048 HD2 ARG 66 HD2 ARG 66 19.053 26.437 30.301 1049 HD3 ARG 66 HD3 ARG 66 19.943 27.663 31.213 1050 HE ARG 66 HE ARG 66 17.039 27.111 31.297 1051 HH11 ARG 66 HH11 ARG 66 19.503 29.401 32.330 1052 HH12 ARG 66 HH12 ARG 66 18.422 30.114 33.502 1053 HH21 ARG 66 HH21 ARG 66 15.793 28.024 32.707 1054 HH22 ARG 66 HH22 ARG 66 16.355 29.318 33.758 Start of MODEL 18 1 H1 GLY -3 H1 GLY -3 28.202 6.619 -2.454 2 H2 GLY -3 H2 GLY -3 28.419 7.733 -3.639 3 H3 GLY -3 H3 GLY -3 27.803 6.254 -4.000 4 HA2 GLY -3 HA2 GLY -3 26.495 8.285 -2.310 5 HA3 GLY -3 HA3 GLY -3 26.065 7.935 -3.999 6 HA PRO -2 HA PRO -2 23.996 4.996 -0.819 7 HB2 PRO -2 HB2 PRO -2 21.627 6.193 -0.215 8 HB3 PRO -2 HB3 PRO -2 23.149 6.596 0.624 9 HG2 PRO -2 HG2 PRO -2 21.864 8.071 -1.703 10 HG3 PRO -2 HG3 PRO -2 22.464 8.744 -0.153 11 HD2 PRO -2 HD2 PRO -2 23.996 8.762 -2.405 12 HD3 PRO -2 HD3 PRO -2 24.713 8.494 -0.787 13 H GLY -1 H GLY -1 22.966 6.494 -3.797 14 HA2 GLY -1 HA2 GLY -1 21.750 5.664 -5.602 15 HA3 GLY -1 HA3 GLY -1 21.520 4.143 -4.743 16 H SER 0 H SER 0 19.313 4.042 -5.324 17 HA SER 0 HA SER 0 17.377 6.103 -4.824 18 HB2 SER 0 HB2 SER 0 17.042 4.260 -6.413 19 HB3 SER 0 HB3 SER 0 16.983 3.104 -5.074 20 HG SER 0 HG SER 0 14.890 3.811 -5.773 21 H MET 1 H MET 1 16.161 6.620 -3.070 22 HA MET 1 HA MET 1 15.748 4.967 -0.759 23 HB2 MET 1 HB2 MET 1 16.812 6.485 0.871 24 HB3 MET 1 HB3 MET 1 18.006 5.671 -0.151 25 HG2 MET 1 HG2 MET 1 18.231 7.716 -1.522 26 HG3 MET 1 HG3 MET 1 17.040 8.542 -0.526 27 HE1 MET 1 HE1 MET 1 18.847 9.258 2.795 28 HE2 MET 1 HE2 MET 1 17.414 9.509 1.777 29 HE3 MET 1 HE3 MET 1 17.733 7.907 2.476 30 H CYS 2 H CYS 2 14.025 5.806 0.461 31 HA CYS 2 HA CYS 2 12.426 7.800 -1.020 32 HB2 CYS 2 HB2 CYS 2 11.749 5.782 1.134 33 HB3 CYS 2 HB3 CYS 2 10.577 6.892 0.385 34 HG CYS 2 HG CYS 2 12.474 4.552 -1.035 35 H MET 3 H MET 3 11.673 9.665 -0.274 36 HA MET 3 HA MET 3 12.803 10.890 2.158 37 HB2 MET 3 HB2 MET 3 11.253 11.857 -0.251 38 HB3 MET 3 HB3 MET 3 11.305 12.836 1.208 39 HG2 MET 3 HG2 MET 3 13.070 13.623 -0.114 40 HG3 MET 3 HG3 MET 3 13.806 12.710 1.187 41 HE1 MET 3 HE1 MET 3 13.709 11.614 -3.313 42 HE2 MET 3 HE2 MET 3 12.209 11.591 -2.374 43 HE3 MET 3 HE3 MET 3 13.106 13.115 -2.566 44 H ALA 4 H ALA 4 11.456 12.159 3.599 45 HA ALA 4 HA ALA 4 9.192 10.693 4.715 46 HB1 ALA 4 HB1 ALA 4 9.286 12.564 6.377 47 HB2 ALA 4 HB2 ALA 4 10.835 11.737 6.151 48 HB3 ALA 4 HB3 ALA 4 10.545 13.329 5.419 49 H LYS 5 H LYS 5 7.292 12.008 5.433 50 HA LYS 5 HA LYS 5 6.344 14.077 3.520 51 HB2 LYS 5 HB2 LYS 5 4.078 13.143 3.530 52 HB3 LYS 5 HB3 LYS 5 5.264 12.097 2.751 53 HG2 LYS 5 HG2 LYS 5 5.327 10.629 4.738 54 HG3 LYS 5 HG3 LYS 5 4.166 11.674 5.565 55 HD2 LYS 5 HD2 LYS 5 2.492 11.249 3.795 56 HD3 LYS 5 HD3 LYS 5 3.619 10.180 2.955 57 HE2 LYS 5 HE2 LYS 5 2.664 9.711 5.816 58 HE3 LYS 5 HE3 LYS 5 1.846 9.067 4.394 59 HZ1 LYS 5 HZ1 LYS 5 4.661 8.429 5.120 60 HZ2 LYS 5 HZ2 LYS 5 3.406 7.453 5.344 61 HZ3 LYS 5 HZ3 LYS 5 3.857 7.850 3.826 62 H VAL 6 H VAL 6 5.326 15.753 4.372 63 HA VAL 6 HA VAL 6 5.299 15.987 7.347 64 HB VAL 6 HB VAL 6 5.133 18.272 5.380 65 HG11 VAL 6 HG11 VAL 6 5.927 18.147 8.311 66 HG12 VAL 6 HG12 VAL 6 6.002 19.594 7.282 67 HG13 VAL 6 HG13 VAL 6 4.438 18.868 7.650 68 HG21 VAL 6 HG21 VAL 6 7.238 17.191 4.895 69 HG22 VAL 6 HG22 VAL 6 7.552 18.662 5.812 70 HG23 VAL 6 HG23 VAL 6 7.640 17.081 6.625 71 H VAL 7 H VAL 7 3.490 16.606 8.460 72 HA VAL 7 HA VAL 7 1.089 17.503 6.982 73 HB VAL 7 HB VAL 7 0.760 15.118 7.218 74 HG11 VAL 7 HG11 VAL 7 2.117 14.635 9.220 75 HG12 VAL 7 HG12 VAL 7 0.944 15.505 10.240 76 HG13 VAL 7 HG13 VAL 7 0.465 14.014 9.395 77 HG21 VAL 7 HG21 VAL 7 -1.059 16.571 9.182 78 HG22 VAL 7 HG22 VAL 7 -1.190 16.665 7.414 79 HG23 VAL 7 HG23 VAL 7 -1.417 15.109 8.242 80 H LEU 8 H LEU 8 -0.230 18.904 8.036 81 HA LEU 8 HA LEU 8 0.307 19.627 10.850 82 HB2 LEU 8 HB2 LEU 8 0.724 21.947 10.391 83 HB3 LEU 8 HB3 LEU 8 1.887 20.948 9.521 84 HG LEU 8 HG LEU 8 0.152 21.263 7.508 85 HD11 LEU 8 HD11 LEU 8 -0.703 23.607 7.482 86 HD12 LEU 8 HD12 LEU 8 -1.520 22.639 8.707 87 HD13 LEU 8 HD13 LEU 8 -0.246 23.782 9.188 88 HD21 LEU 8 HD21 LEU 8 1.512 23.152 6.737 89 HD22 LEU 8 HD22 LEU 8 2.139 23.397 8.381 90 HD23 LEU 8 HD23 LEU 8 2.527 21.915 7.476 91 H THR 9 H THR 9 -1.255 20.958 11.800 92 HA THR 9 HA THR 9 -3.815 21.391 10.304 93 HB THR 9 HB THR 9 -3.662 20.829 13.277 94 HG1 THR 9 HG1 THR 9 -3.194 18.954 12.156 95 HG21 THR 9 HG21 THR 9 -6.008 20.981 11.322 96 HG22 THR 9 HG22 THR 9 -6.118 20.492 13.022 97 HG23 THR 9 HG23 THR 9 -5.639 22.146 12.618 98 H LYS 10 H LYS 10 -4.386 23.469 10.208 99 HA LYS 10 HA LYS 10 -2.796 25.562 11.520 100 HB2 LYS 10 HB2 LYS 10 -5.262 25.720 9.723 101 HB3 LYS 10 HB3 LYS 10 -4.284 27.096 10.238 102 HG2 LYS 10 HG2 LYS 10 -2.287 25.998 9.111 103 HG3 LYS 10 HG3 LYS 10 -3.413 24.846 8.370 104 HD2 LYS 10 HD2 LYS 10 -3.590 27.884 8.136 105 HD3 LYS 10 HD3 LYS 10 -2.852 26.836 6.921 106 HE2 LYS 10 HE2 LYS 10 -4.905 25.842 6.322 107 HE3 LYS 10 HE3 LYS 10 -5.717 26.359 7.799 108 HZ1 LYS 10 HZ1 LYS 10 -6.349 27.723 5.860 109 HZ2 LYS 10 HZ2 LYS 10 -5.682 28.620 7.060 110 HZ3 LYS 10 HZ3 LYS 10 -4.815 28.257 5.705 111 H ALA 11 H ALA 11 -3.754 27.322 12.727 112 HA ALA 11 HA ALA 11 -5.657 26.684 14.789 113 HB1 ALA 11 HB1 ALA 11 -5.550 29.127 15.217 114 HB2 ALA 11 HB2 ALA 11 -3.933 28.448 14.978 115 HB3 ALA 11 HB3 ALA 11 -4.717 29.366 13.669 116 H ASP 12 H ASP 12 -6.108 27.664 11.464 117 HA ASP 12 HA ASP 12 -8.856 28.542 11.607 118 HB2 ASP 12 HB2 ASP 12 -7.308 27.303 9.293 119 HB3 ASP 12 HB3 ASP 12 -8.804 28.211 9.158 120 H GLY 13 H GLY 13 -7.527 25.430 12.073 121 HA2 GLY 13 HA2 GLY 13 -8.580 23.391 12.411 122 HA3 GLY 13 HA3 GLY 13 -10.087 24.018 11.740 123 H GLY 14 H GLY 14 -7.986 24.900 9.412 124 HA2 GLY 14 HA2 GLY 14 -8.516 22.660 7.623 125 HA3 GLY 14 HA3 GLY 14 -7.601 24.119 7.258 126 H ARG 15 H ARG 15 -6.828 21.565 6.402 127 HA ARG 15 HA ARG 15 -4.272 21.095 7.886 128 HB2 ARG 15 HB2 ARG 15 -6.229 19.034 6.806 129 HB3 ARG 15 HB3 ARG 15 -4.544 18.655 7.173 130 HG2 ARG 15 HG2 ARG 15 -4.873 19.480 9.486 131 HG3 ARG 15 HG3 ARG 15 -6.600 19.743 9.151 132 HD2 ARG 15 HD2 ARG 15 -6.968 17.393 8.835 133 HD3 ARG 15 HD3 ARG 15 -5.230 17.044 8.824 134 HE ARG 15 HE ARG 15 -5.432 18.179 11.238 135 HH11 ARG 15 HH11 ARG 15 -7.434 15.598 9.924 136 HH12 ARG 15 HH12 ARG 15 -7.769 14.948 11.510 137 HH21 ARG 15 HH21 ARG 15 -5.860 17.288 13.180 138 HH22 ARG 15 HH22 ARG 15 -6.902 15.890 13.310 139 H VAL 16 H VAL 16 -2.523 20.329 6.774 140 HA VAL 16 HA VAL 16 -2.529 20.529 3.800 141 HB VAL 16 HB VAL 16 -0.502 22.000 5.535 142 HG11 VAL 16 HG11 VAL 16 0.442 21.288 3.383 143 HG12 VAL 16 HG12 VAL 16 -0.933 22.007 2.523 144 HG13 VAL 16 HG13 VAL 16 0.210 23.037 3.416 145 HG21 VAL 16 HG21 VAL 16 -2.595 23.223 5.714 146 HG22 VAL 16 HG22 VAL 16 -1.499 24.100 4.639 147 HG23 VAL 16 HG23 VAL 16 -2.833 23.144 3.954 148 H GLU 17 H GLU 17 -1.062 19.197 2.810 149 HA GLU 17 HA GLU 17 0.785 17.540 4.459 150 HB2 GLU 17 HB2 GLU 17 -1.137 16.537 2.333 151 HB3 GLU 17 HB3 GLU 17 0.195 15.594 3.032 152 HG2 GLU 17 HG2 GLU 17 -0.808 15.699 5.244 153 HG3 GLU 17 HG3 GLU 17 -2.111 16.750 4.656 154 H ILE 18 H ILE 18 2.734 17.068 3.515 155 HA ILE 18 HA ILE 18 3.319 18.141 0.780 156 HB ILE 18 HB ILE 18 4.990 18.746 3.241 157 HG12 ILE 18 HG12 ILE 18 3.131 20.684 1.809 158 HG13 ILE 18 HG13 ILE 18 2.809 19.957 3.384 159 HG21 ILE 18 HG21 ILE 18 6.234 18.648 1.086 160 HG22 ILE 18 HG22 ILE 18 5.132 19.864 0.413 161 HG23 ILE 18 HG23 ILE 18 6.209 20.280 1.757 162 HD11 ILE 18 HD11 ILE 18 3.581 22.075 3.862 163 HD12 ILE 18 HD12 ILE 18 4.913 20.980 4.269 164 HD13 ILE 18 HD13 ILE 18 4.970 21.952 2.764 165 H GLY 19 H GLY 19 4.164 16.527 -0.356 166 HA2 GLY 19 HA2 GLY 19 5.485 14.220 0.927 167 HA3 GLY 19 HA3 GLY 19 5.018 14.362 -0.756 168 H ASP 20 H ASP 20 7.397 13.275 0.002 169 HA ASP 20 HA ASP 20 9.567 13.207 -0.512 170 HB2 ASP 20 HB2 ASP 20 8.830 15.102 -2.733 171 HB3 ASP 20 HB3 ASP 20 10.184 13.967 -2.692 172 H VAL 21 H VAL 21 9.267 14.900 1.615 173 HA VAL 21 HA VAL 21 10.827 17.332 1.214 174 HB VAL 21 HB VAL 21 8.909 17.032 2.841 175 HG11 VAL 21 HG11 VAL 21 9.344 16.190 5.063 176 HG12 VAL 21 HG12 VAL 21 9.666 14.914 3.899 177 HG13 VAL 21 HG13 VAL 21 11.015 15.798 4.649 178 HG21 VAL 21 HG21 VAL 21 10.337 18.996 2.891 179 HG22 VAL 21 HG22 VAL 21 9.851 18.514 4.522 180 HG23 VAL 21 HG23 VAL 21 11.494 18.161 3.954 181 H LEU 22 H LEU 22 12.932 17.715 1.561 182 HA LEU 22 HA LEU 22 14.760 15.455 2.253 183 HB2 LEU 22 HB2 LEU 22 15.234 18.255 1.146 184 HB3 LEU 22 HB3 LEU 22 16.521 17.116 1.534 185 HG LEU 22 HG LEU 22 14.377 16.679 -0.600 186 HD11 LEU 22 HD11 LEU 22 17.340 17.413 -0.749 187 HD12 LEU 22 HD12 LEU 22 16.337 16.967 -2.132 188 HD13 LEU 22 HD13 LEU 22 15.965 18.437 -1.215 189 HD21 LEU 22 HD21 LEU 22 16.899 15.070 0.032 190 HD22 LEU 22 HD22 LEU 22 15.250 14.525 0.337 191 HD23 LEU 22 HD23 LEU 22 15.779 14.792 -1.320 192 H GLU 23 H GLU 23 13.619 18.552 3.548 193 HA GLU 23 HA GLU 23 14.895 17.999 6.126 194 HB2 GLU 23 HB2 GLU 23 16.723 18.999 4.814 195 HB3 GLU 23 HB3 GLU 23 15.704 20.377 4.394 196 HG2 GLU 23 HG2 GLU 23 15.657 21.089 6.743 197 HG3 GLU 23 HG3 GLU 23 16.547 19.634 7.228 198 H VAL 24 H VAL 24 13.971 19.076 7.826 199 HA VAL 24 HA VAL 24 12.223 21.398 7.305 200 HB VAL 24 HB VAL 24 10.497 20.762 8.784 201 HG11 VAL 24 HG11 VAL 24 10.962 18.318 7.029 202 HG12 VAL 24 HG12 VAL 24 9.414 18.959 7.616 203 HG13 VAL 24 HG13 VAL 24 10.367 19.872 6.435 204 HG21 VAL 24 HG21 VAL 24 11.873 18.115 9.270 205 HG22 VAL 24 HG22 VAL 24 11.758 19.420 10.464 206 HG23 VAL 24 HG23 VAL 24 10.297 18.609 9.891 207 H ARG 25 H ARG 25 12.202 22.942 8.995 208 HA ARG 25 HA ARG 25 13.812 22.408 11.430 209 HB2 ARG 25 HB2 ARG 25 14.290 25.091 10.227 210 HB3 ARG 25 HB3 ARG 25 15.294 24.114 11.270 211 HG2 ARG 25 HG2 ARG 25 16.534 24.129 9.348 212 HG3 ARG 25 HG3 ARG 25 15.655 22.621 9.111 213 HD2 ARG 25 HD2 ARG 25 14.000 23.894 7.693 214 HD3 ARG 25 HD3 ARG 25 14.932 25.366 7.987 215 HE ARG 25 HE ARG 25 16.706 23.448 6.889 216 HH11 ARG 25 HH11 ARG 25 14.035 25.449 5.894 217 HH12 ARG 25 HH12 ARG 25 14.467 25.416 4.205 218 HH21 ARG 25 HH21 ARG 25 17.071 23.178 4.671 219 HH22 ARG 25 HH22 ARG 25 15.990 23.987 3.562 220 H ALA 26 H ALA 26 13.097 23.384 13.229 221 HA ALA 26 HA ALA 26 10.702 25.152 13.099 222 HB1 ALA 26 HB1 ALA 26 10.335 24.481 15.431 223 HB2 ALA 26 HB2 ALA 26 10.373 23.067 14.355 224 HB3 ALA 26 HB3 ALA 26 11.785 23.449 15.375 225 H GLU 27 H GLU 27 11.113 27.265 13.396 226 HA GLU 27 HA GLU 27 13.398 28.300 14.951 227 HB2 GLU 27 HB2 GLU 27 14.538 27.535 12.964 228 HB3 GLU 27 HB3 GLU 27 13.265 28.122 11.924 229 HG2 GLU 27 HG2 GLU 27 15.138 29.460 11.596 230 HG3 GLU 27 HG3 GLU 27 13.910 30.448 12.365 231 H GLY 28 H GLY 28 12.979 30.341 15.646 232 HA2 GLY 28 HA2 GLY 28 12.045 32.410 15.860 233 HA3 GLY 28 HA3 GLY 28 11.747 32.379 14.124 234 H GLY 29 H GLY 29 10.235 30.039 16.294 235 HA2 GLY 29 HA2 GLY 29 8.021 29.732 16.968 236 HA3 GLY 29 HA3 GLY 29 7.659 31.407 16.549 237 H ALA 30 H ALA 30 9.089 29.371 14.083 238 HA ALA 30 HA ALA 30 6.478 28.685 12.832 239 HB1 ALA 30 HB1 ALA 30 7.278 29.614 10.691 240 HB2 ALA 30 HB2 ALA 30 7.303 30.892 11.927 241 HB3 ALA 30 HB3 ALA 30 8.811 30.093 11.450 242 H VAL 31 H VAL 31 6.777 27.134 11.004 243 HA VAL 31 HA VAL 31 9.353 25.596 11.170 244 HB VAL 31 HB VAL 31 6.653 24.364 10.548 245 HG11 VAL 31 HG11 VAL 31 8.389 23.218 9.248 246 HG12 VAL 31 HG12 VAL 31 9.473 23.170 10.660 247 HG13 VAL 31 HG13 VAL 31 7.997 22.210 10.644 248 HG21 VAL 31 HG21 VAL 31 8.539 24.027 12.926 249 HG22 VAL 31 HG22 VAL 31 6.946 24.800 12.946 250 HG23 VAL 31 HG23 VAL 31 7.065 23.073 12.625 251 H ARG 32 H ARG 32 10.515 25.391 9.433 252 HA ARG 32 HA ARG 32 9.438 26.126 6.726 253 HB2 ARG 32 HB2 ARG 32 12.236 26.240 7.900 254 HB3 ARG 32 HB3 ARG 32 11.911 26.267 6.152 255 HG2 ARG 32 HG2 ARG 32 10.588 28.303 6.356 256 HG3 ARG 32 HG3 ARG 32 10.768 28.288 8.119 257 HD2 ARG 32 HD2 ARG 32 12.278 29.907 7.112 258 HD3 ARG 32 HD3 ARG 32 13.172 28.601 7.924 259 HE ARG 32 HE ARG 32 12.854 27.973 5.121 260 HH11 ARG 32 HH11 ARG 32 14.678 30.240 7.091 261 HH12 ARG 32 HH12 ARG 32 15.990 30.288 5.946 262 HH21 ARG 32 HH21 ARG 32 14.603 27.999 3.781 263 HH22 ARG 32 HH22 ARG 32 15.936 29.077 4.118 264 H VAL 33 H VAL 33 9.847 24.780 4.994 265 HA VAL 33 HA VAL 33 11.086 22.116 5.479 266 HB VAL 33 HB VAL 33 9.316 20.873 4.549 267 HG11 VAL 33 HG11 VAL 33 7.461 21.170 6.049 268 HG12 VAL 33 HG12 VAL 33 8.925 21.598 6.950 269 HG13 VAL 33 HG13 VAL 33 7.854 22.866 6.343 270 HG21 VAL 33 HG21 VAL 33 8.560 22.349 2.740 271 HG22 VAL 33 HG22 VAL 33 7.195 21.845 3.733 272 HG23 VAL 33 HG23 VAL 33 7.889 23.472 3.938 273 H THR 34 H THR 34 11.930 21.083 3.647 274 HA THR 34 HA THR 34 12.158 22.699 1.118 275 HB THR 34 HB THR 34 14.405 21.277 2.593 276 HG1 THR 34 HG1 THR 34 13.698 23.279 3.437 277 HG21 THR 34 HG21 THR 34 14.427 22.880 -0.001 278 HG22 THR 34 HG22 THR 34 15.881 22.406 0.912 279 HG23 THR 34 HG23 THR 34 14.849 21.165 0.184 280 H THR 35 H THR 35 11.880 21.579 -0.719 281 HA THR 35 HA THR 35 11.663 18.592 -0.612 282 HB THR 35 HB THR 35 10.283 18.706 -2.566 283 HG1 THR 35 HG1 THR 35 10.534 21.521 -2.444 284 HG21 THR 35 HG21 THR 35 9.117 19.073 -0.418 285 HG22 THR 35 HG22 THR 35 9.301 20.834 -0.615 286 HG23 THR 35 HG23 THR 35 8.334 19.894 -1.773 287 H LEU 36 H LEU 36 12.227 17.420 -2.634 288 HA LEU 36 HA LEU 36 14.902 17.935 -3.511 289 HB2 LEU 36 HB2 LEU 36 14.730 15.983 -4.731 290 HB3 LEU 36 HB3 LEU 36 13.685 15.688 -3.354 291 HG LEU 36 HG LEU 36 12.789 16.425 -6.199 292 HD11 LEU 36 HD11 LEU 36 12.569 13.806 -4.680 293 HD12 LEU 36 HD12 LEU 36 11.987 14.134 -6.325 294 HD13 LEU 36 HD13 LEU 36 13.727 14.148 -5.990 295 HD21 LEU 36 HD21 LEU 36 11.167 15.758 -3.701 296 HD22 LEU 36 HD22 LEU 36 11.105 17.242 -4.670 297 HD23 LEU 36 HD23 LEU 36 10.515 15.730 -5.357 298 H PHE 37 H PHE 37 12.025 19.422 -4.609 299 HA PHE 37 HA PHE 37 12.971 20.008 -7.319 300 HB2 PHE 37 HB2 PHE 37 10.707 21.302 -5.760 301 HB3 PHE 37 HB3 PHE 37 10.942 21.327 -7.501 302 HD1 PHE 37 HD1 PHE 37 11.199 18.798 -8.561 303 HD2 PHE 37 HD2 PHE 37 9.013 19.864 -4.997 304 HE1 PHE 37 HE1 PHE 37 9.796 16.775 -8.828 305 HE2 PHE 37 HE2 PHE 37 7.613 17.839 -5.256 306 HZ PHE 37 HZ PHE 37 7.994 16.279 -7.164 307 H ASP 38 H ASP 38 14.173 21.013 -4.485 308 HA ASP 38 HA ASP 38 15.183 22.739 -3.543 309 HB2 ASP 38 HB2 ASP 38 15.365 24.119 -6.233 310 HB3 ASP 38 HB3 ASP 38 16.298 24.475 -4.794 311 H GLU 39 H GLU 39 12.148 22.784 -4.228 312 HA GLU 39 HA GLU 39 11.479 25.597 -3.733 313 HB2 GLU 39 HB2 GLU 39 10.056 24.176 -5.199 314 HB3 GLU 39 HB3 GLU 39 9.760 23.091 -3.850 315 HG2 GLU 39 HG2 GLU 39 7.827 24.438 -4.143 316 HG3 GLU 39 HG3 GLU 39 8.569 24.910 -2.636 317 H GLU 40 H GLU 40 10.636 26.431 -1.857 318 HA GLU 40 HA GLU 40 10.633 24.730 0.586 319 HB2 GLU 40 HB2 GLU 40 11.779 27.543 0.413 320 HB3 GLU 40 HB3 GLU 40 11.457 26.650 1.903 321 HG2 GLU 40 HG2 GLU 40 12.990 24.817 1.018 322 HG3 GLU 40 HG3 GLU 40 13.431 25.917 -0.282 323 H HIS 41 H HIS 41 9.291 25.319 2.222 324 HA HIS 41 HA HIS 41 7.236 27.416 1.766 325 HB2 HIS 41 HB2 HIS 41 6.496 24.592 2.607 326 HB3 HIS 41 HB3 HIS 41 5.410 25.952 2.440 327 HD2 HIS 41 HD2 HIS 41 6.924 23.100 0.541 328 HE1 HIS 41 HE1 HIS 41 5.051 25.509 -2.450 329 HE2 HIS 41 HE2 HIS 41 6.143 23.247 -1.976 330 H ALA 42 H ALA 42 6.177 28.107 3.732 331 HA ALA 42 HA ALA 42 7.555 27.422 6.258 332 HB1 ALA 42 HB1 ALA 42 8.799 29.287 5.184 333 HB2 ALA 42 HB2 ALA 42 7.297 30.255 5.180 334 HB3 ALA 42 HB3 ALA 42 8.042 29.762 6.716 335 H PHE 43 H PHE 43 6.355 27.624 8.055 336 HA PHE 43 HA PHE 43 3.499 28.508 7.843 337 HB2 PHE 43 HB2 PHE 43 4.545 25.911 8.998 338 HB3 PHE 43 HB3 PHE 43 2.868 26.440 8.930 339 HD1 PHE 43 HD1 PHE 43 5.604 24.865 7.105 340 HD2 PHE 43 HD2 PHE 43 1.718 26.697 6.688 341 HE1 PHE 43 HE1 PHE 43 5.399 23.926 4.808 342 HE2 PHE 43 HE2 PHE 43 1.515 25.736 4.410 343 HZ PHE 43 HZ PHE 43 3.362 24.373 3.457 344 HA PRO 44 HA PRO 44 5.131 30.496 11.642 345 HB2 PRO 44 HB2 PRO 44 2.721 32.194 11.071 346 HB3 PRO 44 HB3 PRO 44 4.351 32.695 11.629 347 HG2 PRO 44 HG2 PRO 44 3.669 33.020 9.032 348 HG3 PRO 44 HG3 PRO 44 5.278 32.335 9.439 349 HD2 PRO 44 HD2 PRO 44 2.747 30.839 8.672 350 HD3 PRO 44 HD3 PRO 44 4.396 30.659 8.004 351 H GLY 45 H GLY 45 4.531 30.272 13.746 352 HA2 GLY 45 HA2 GLY 45 3.148 30.044 15.609 353 HA3 GLY 45 HA3 GLY 45 1.743 29.819 14.565 354 H LEU 46 H LEU 46 4.224 27.746 13.568 355 HA LEU 46 HA LEU 46 3.087 25.458 15.088 356 HB2 LEU 46 HB2 LEU 46 4.463 25.433 12.379 357 HB3 LEU 46 HB3 LEU 46 3.783 24.043 13.224 358 HG LEU 46 HG LEU 46 2.224 26.393 12.068 359 HD11 LEU 46 HD11 LEU 46 3.152 24.687 10.487 360 HD12 LEU 46 HD12 LEU 46 2.240 23.436 11.343 361 HD13 LEU 46 HD13 LEU 46 1.384 24.759 10.513 362 HD21 LEU 46 HD21 LEU 46 1.195 23.918 13.534 363 HD22 LEU 46 HD22 LEU 46 1.043 25.603 14.081 364 HD23 LEU 46 HD23 LEU 46 0.188 25.072 12.629 365 H ALA 47 H ALA 47 4.418 23.691 15.559 366 HA ALA 47 HA ALA 47 7.337 23.930 15.312 367 HB1 ALA 47 HB1 ALA 47 5.970 23.311 17.966 368 HB2 ALA 47 HB2 ALA 47 7.702 23.132 17.646 369 HB3 ALA 47 HB3 ALA 47 6.959 24.743 17.586 370 H ILE 48 H ILE 48 8.393 21.777 15.555 371 HA ILE 48 HA ILE 48 6.799 19.653 14.321 372 HB ILE 48 HB ILE 48 9.648 19.591 15.361 373 HG12 ILE 48 HG12 ILE 48 8.903 19.716 12.419 374 HG13 ILE 48 HG13 ILE 48 9.043 21.206 13.349 375 HG21 ILE 48 HG21 ILE 48 8.695 17.319 15.185 376 HG22 ILE 48 HG22 ILE 48 8.102 17.667 13.547 377 HG23 ILE 48 HG23 ILE 48 9.849 17.563 13.877 378 HD11 ILE 48 HD11 ILE 48 11.141 20.813 12.282 379 HD12 ILE 48 HD12 ILE 48 11.360 20.591 14.022 380 HD13 ILE 48 HD13 ILE 48 11.266 19.171 12.952 381 H GLY 49 H GLY 49 5.544 18.277 15.446 382 HA2 GLY 49 HA2 GLY 49 5.758 18.137 18.409 383 HA3 GLY 49 HA3 GLY 49 4.375 17.707 17.407 384 H ARG 50 H ARG 50 5.814 15.972 15.552 385 HA ARG 50 HA ARG 50 6.908 13.768 17.167 386 HB2 ARG 50 HB2 ARG 50 4.271 13.842 17.327 387 HB3 ARG 50 HB3 ARG 50 4.316 13.221 15.674 388 HG2 ARG 50 HG2 ARG 50 5.743 11.296 16.545 389 HG3 ARG 50 HG3 ARG 50 5.569 11.978 18.161 390 HD2 ARG 50 HD2 ARG 50 4.011 10.177 17.952 391 HD3 ARG 50 HD3 ARG 50 3.109 11.684 18.021 392 HE ARG 50 HE ARG 50 2.563 11.496 15.702 393 HH11 ARG 50 HH11 ARG 50 4.155 8.519 16.816 394 HH12 ARG 50 HH12 ARG 50 3.813 7.740 15.275 395 HH21 ARG 50 HH21 ARG 50 2.199 10.309 13.808 396 HH22 ARG 50 HH22 ARG 50 2.735 8.647 13.751 397 H VAL 51 H VAL 51 7.978 12.249 16.005 398 HA VAL 51 HA VAL 51 7.925 12.380 13.017 399 HB VAL 51 HB VAL 51 10.481 12.219 14.647 400 HG11 VAL 51 HG11 VAL 51 10.653 10.961 12.564 401 HG12 VAL 51 HG12 VAL 51 9.948 12.315 11.650 402 HG13 VAL 51 HG13 VAL 51 11.549 12.466 12.398 403 HG21 VAL 51 HG21 VAL 51 11.036 14.419 13.674 404 HG22 VAL 51 HG22 VAL 51 9.409 14.514 12.940 405 HG23 VAL 51 HG23 VAL 51 9.621 14.523 14.705 406 H ASP 52 H ASP 52 7.582 10.411 12.194 407 HA ASP 52 HA ASP 52 8.001 7.970 13.894 408 HB2 ASP 52 HB2 ASP 52 5.745 8.939 14.092 409 HB3 ASP 52 HB3 ASP 52 5.505 8.764 12.357 410 H LEU 53 H LEU 53 9.605 7.020 12.843 411 HA LEU 53 HA LEU 53 9.988 7.240 9.988 412 HB2 LEU 53 HB2 LEU 53 11.522 5.667 12.112 413 HB3 LEU 53 HB3 LEU 53 12.015 5.885 10.449 414 HG LEU 53 HG LEU 53 13.323 7.322 11.664 415 HD11 LEU 53 HD11 LEU 53 12.391 8.337 9.607 416 HD12 LEU 53 HD12 LEU 53 11.146 9.147 10.598 417 HD13 LEU 53 HD13 LEU 53 12.860 9.531 10.822 418 HD21 LEU 53 HD21 LEU 53 10.951 8.589 13.080 419 HD22 LEU 53 HD22 LEU 53 12.121 7.449 13.773 420 HD23 LEU 53 HD23 LEU 53 12.643 9.039 13.239 421 H ARG 54 H ARG 54 8.072 5.095 11.723 422 HA ARG 54 HA ARG 54 8.349 2.669 10.179 423 HB2 ARG 54 HB2 ARG 54 5.873 3.822 11.542 424 HB3 ARG 54 HB3 ARG 54 6.107 2.144 11.038 425 HG2 ARG 54 HG2 ARG 54 7.966 1.900 12.685 426 HG3 ARG 54 HG3 ARG 54 7.750 3.582 13.185 427 HD2 ARG 54 HD2 ARG 54 5.300 2.978 13.677 428 HD3 ARG 54 HD3 ARG 54 5.775 1.292 13.476 429 HE ARG 54 HE ARG 54 6.922 1.378 15.529 430 HH11 ARG 54 HH11 ARG 54 6.076 4.741 14.711 431 HH12 ARG 54 HH12 ARG 54 6.068 5.147 16.433 432 HH21 ARG 54 HH21 ARG 54 7.086 2.212 17.640 433 HH22 ARG 54 HH22 ARG 54 6.672 3.911 17.888 434 H SER 55 H SER 55 6.696 5.684 9.562 435 HA SER 55 HA SER 55 6.051 4.789 6.779 436 HB2 SER 55 HB2 SER 55 4.035 4.786 8.283 437 HB3 SER 55 HB3 SER 55 4.258 6.525 8.506 438 HG SER 55 HG SER 55 3.545 5.053 6.189 439 H GLY 56 H GLY 56 8.007 6.769 8.484 440 HA2 GLY 56 HA2 GLY 56 9.244 8.633 7.995 441 HA3 GLY 56 HA3 GLY 56 8.667 8.526 6.322 442 H VAL 57 H VAL 57 6.645 8.986 9.243 443 HA VAL 57 HA VAL 57 5.433 11.394 7.990 444 HB VAL 57 HB VAL 57 4.617 9.693 10.359 445 HG11 VAL 57 HG11 VAL 57 3.303 12.233 9.306 446 HG12 VAL 57 HG12 VAL 57 2.538 11.086 10.413 447 HG13 VAL 57 HG13 VAL 57 3.963 11.986 10.935 448 HG21 VAL 57 HG21 VAL 57 3.292 10.314 7.691 449 HG22 VAL 57 HG22 VAL 57 4.179 8.814 8.056 450 HG23 VAL 57 HG23 VAL 57 2.681 9.187 8.924 451 H ILE 58 H ILE 58 5.858 13.380 8.527 452 HA ILE 58 HA ILE 58 7.105 14.056 11.183 453 HB ILE 58 HB ILE 58 7.335 15.367 8.461 454 HG12 ILE 58 HG12 ILE 58 9.482 14.388 10.399 455 HG13 ILE 58 HG13 ILE 58 8.870 13.443 9.047 456 HG21 ILE 58 HG21 ILE 58 6.966 17.142 10.175 457 HG22 ILE 58 HG22 ILE 58 8.347 16.505 11.106 458 HG23 ILE 58 HG23 ILE 58 8.569 17.201 9.478 459 HD11 ILE 58 HD11 ILE 58 10.940 14.429 8.390 460 HD12 ILE 58 HD12 ILE 58 9.646 15.212 7.468 461 HD13 ILE 58 HD13 ILE 58 10.407 16.053 8.850 462 H SER 59 H SER 59 5.639 14.903 12.546 463 HA SER 59 HA SER 59 3.148 16.144 11.437 464 HB2 SER 59 HB2 SER 59 2.816 13.964 12.511 465 HB3 SER 59 HB3 SER 59 3.527 14.593 14.002 466 HG SER 59 HG SER 59 1.216 14.697 13.963 467 H LEU 60 H LEU 60 2.768 18.166 11.867 468 HA LEU 60 HA LEU 60 4.319 19.626 13.972 469 HB2 LEU 60 HB2 LEU 60 2.917 20.439 11.412 470 HB3 LEU 60 HB3 LEU 60 3.402 21.624 12.613 471 HG LEU 60 HG LEU 60 5.741 21.169 12.298 472 HD11 LEU 60 HD11 LEU 60 4.911 18.996 10.351 473 HD12 LEU 60 HD12 LEU 60 6.552 19.692 10.458 474 HD13 LEU 60 HD13 LEU 60 5.887 18.809 11.828 475 HD21 LEU 60 HD21 LEU 60 4.222 21.421 9.655 476 HD22 LEU 60 HD22 LEU 60 4.651 22.738 10.769 477 HD23 LEU 60 HD23 LEU 60 5.912 21.863 9.892 478 H ILE 61 H ILE 61 3.332 21.088 15.320 479 HA ILE 61 HA ILE 61 0.373 21.054 15.563 480 HB ILE 61 HB ILE 61 0.281 20.566 17.787 481 HG12 ILE 61 HG12 ILE 61 1.880 21.850 18.882 482 HG13 ILE 61 HG13 ILE 61 2.168 20.185 19.336 483 HG21 ILE 61 HG21 ILE 61 2.394 18.639 16.801 484 HG22 ILE 61 HG22 ILE 61 1.213 18.368 18.105 485 HG23 ILE 61 HG23 ILE 61 0.655 18.568 16.445 486 HD11 ILE 61 HD11 ILE 61 4.056 20.146 17.627 487 HD12 ILE 61 HD12 ILE 61 3.822 21.904 17.483 488 HD13 ILE 61 HD13 ILE 61 4.278 21.202 19.038 489 H GLU 62 H GLU 62 -0.420 22.765 17.063 490 HA GLU 62 HA GLU 62 0.744 25.377 16.413 491 HB2 GLU 62 HB2 GLU 62 -1.475 24.576 18.340 492 HB3 GLU 62 HB3 GLU 62 -1.024 26.237 17.930 493 HG2 GLU 62 HG2 GLU 62 -1.668 25.903 15.602 494 HG3 GLU 62 HG3 GLU 62 -1.988 24.192 15.890 495 H GLU 63 H GLU 63 2.453 26.267 17.398 496 HA GLU 63 HA GLU 63 3.543 25.025 19.796 497 HB2 GLU 63 HB2 GLU 63 5.479 26.285 19.392 498 HB3 GLU 63 HB3 GLU 63 4.845 25.814 17.838 499 HG2 GLU 63 HG2 GLU 63 5.362 27.966 17.341 500 HG3 GLU 63 HG3 GLU 63 3.688 28.204 17.846 501 H GLN 64 H GLN 64 1.513 27.744 19.238 502 HA GLN 64 HA GLN 64 0.911 27.877 22.051 503 HB2 GLN 64 HB2 GLN 64 1.225 30.167 22.480 504 HB3 GLN 64 HB3 GLN 64 2.737 29.588 21.785 505 HG2 GLN 64 HG2 GLN 64 2.058 30.555 19.573 506 HG3 GLN 64 HG3 GLN 64 0.611 31.223 20.326 507 HE21 GLN 64 HE21 GLN 64 4.141 31.502 20.110 508 HE22 GLN 64 HE22 GLN 64 4.220 33.058 20.951 509 H ASN 65 H ASN 65 -1.167 28.905 22.448 510 HA ASN 65 HA ASN 65 -2.859 29.454 20.064 511 HB2 ASN 65 HB2 ASN 65 -4.509 27.811 20.797 512 HB3 ASN 65 HB3 ASN 65 -2.957 27.043 20.493 513 HD21 ASN 65 HD21 ASN 65 -4.319 25.395 21.807 514 HD22 ASN 65 HD22 ASN 65 -4.056 25.443 23.546 515 H ARG 66 H ARG 66 -1.848 30.905 22.682 516 HA ARG 66 HA ARG 66 -4.374 31.812 23.920 517 HB2 ARG 66 HB2 ARG 66 -1.470 32.651 24.298 518 HB3 ARG 66 HB3 ARG 66 -2.842 33.358 25.158 519 HG2 ARG 66 HG2 ARG 66 -3.443 31.079 26.032 520 HG3 ARG 66 HG3 ARG 66 -1.973 30.435 25.286 521 HD2 ARG 66 HD2 ARG 66 -2.082 32.639 27.392 522 HD3 ARG 66 HD3 ARG 66 -1.730 30.954 27.733 523 HE ARG 66 HE ARG 66 0.053 32.942 26.542 524 HH11 ARG 66 HH11 ARG 66 -0.352 29.486 27.032 525 HH12 ARG 66 HH12 ARG 66 1.354 29.185 26.830 526 HH21 ARG 66 HH21 ARG 66 2.196 32.460 26.269 527 HH22 ARG 66 HH22 ARG 66 2.735 30.810 26.393 528 H1 GLY -3 H1 GLY -3 10.938 -3.629 -7.788 529 H2 GLY -3 H2 GLY -3 11.505 -2.865 -6.449 530 H3 GLY -3 H3 GLY -3 10.033 -3.591 -6.427 531 HA2 GLY -3 HA2 GLY -3 11.036 -5.769 -6.713 532 HA3 GLY -3 HA3 GLY -3 12.613 -4.961 -6.730 533 HA PRO -2 HA PRO -2 12.078 -6.318 -2.379 534 HB2 PRO -2 HB2 PRO -2 15.062 -5.948 -2.568 535 HB3 PRO -2 HB3 PRO -2 14.133 -7.236 -1.747 536 HG2 PRO -2 HG2 PRO -2 15.271 -7.732 -4.148 537 HG3 PRO -2 HG3 PRO -2 13.588 -8.278 -3.828 538 HD2 PRO -2 HD2 PRO -2 14.520 -5.776 -5.291 539 HD3 PRO -2 HD3 PRO -2 13.288 -6.979 -5.783 540 H GLY -1 H GLY -1 12.517 -5.302 -0.326 541 HA2 GLY -1 HA2 GLY -1 13.864 -2.791 0.000 542 HA3 GLY -1 HA3 GLY -1 12.123 -2.532 -0.112 543 H SER 0 H SER 0 13.322 -1.758 2.144 544 HA SER 0 HA SER 0 12.136 -3.430 4.224 545 HB2 SER 0 HB2 SER 0 14.423 -4.418 3.863 546 HB3 SER 0 HB3 SER 0 15.125 -2.857 4.306 547 HG SER 0 HG SER 0 15.017 -4.345 6.074 548 H MET 1 H MET 1 12.406 -2.371 6.405 549 HA MET 1 HA MET 1 11.672 0.430 6.327 550 HB2 MET 1 HB2 MET 1 12.318 -1.407 8.671 551 HB3 MET 1 HB3 MET 1 11.632 0.217 8.802 552 HG2 MET 1 HG2 MET 1 9.658 -0.507 7.481 553 HG3 MET 1 HG3 MET 1 10.333 -2.128 7.360 554 HE1 MET 1 HE1 MET 1 8.559 -0.220 11.192 555 HE2 MET 1 HE2 MET 1 10.039 0.432 10.473 556 HE3 MET 1 HE3 MET 1 8.498 0.485 9.564 557 H CYS 2 H CYS 2 12.700 2.154 7.542 558 HA CYS 2 HA CYS 2 15.613 1.934 8.025 559 HB2 CYS 2 HB2 CYS 2 15.316 2.707 5.688 560 HB3 CYS 2 HB3 CYS 2 14.331 4.063 6.262 561 HG CYS 2 HG CYS 2 16.707 4.941 5.610 562 H MET 3 H MET 3 16.388 3.289 9.610 563 HA MET 3 HA MET 3 14.369 4.732 11.287 564 HB2 MET 3 HB2 MET 3 16.515 2.724 12.040 565 HB3 MET 3 HB3 MET 3 15.981 3.949 13.165 566 HG2 MET 3 HG2 MET 3 14.695 2.029 13.646 567 HG3 MET 3 HG3 MET 3 13.629 3.229 12.916 568 HE1 MET 3 HE1 MET 3 15.062 -0.681 10.910 569 HE2 MET 3 HE2 MET 3 16.068 0.785 10.795 570 HE3 MET 3 HE3 MET 3 15.731 0.074 12.385 571 H ALA 4 H ALA 4 15.113 6.406 12.609 572 HA ALA 4 HA ALA 4 17.119 8.112 11.311 573 HB1 ALA 4 HB1 ALA 4 15.186 8.559 13.624 574 HB2 ALA 4 HB2 ALA 4 16.218 9.809 12.912 575 HB3 ALA 4 HB3 ALA 4 14.960 9.063 11.935 576 H LYS 5 H LYS 5 18.542 9.428 12.666 577 HA LYS 5 HA LYS 5 19.387 8.199 15.242 578 HB2 LYS 5 HB2 LYS 5 21.698 8.862 14.918 579 HB3 LYS 5 HB3 LYS 5 21.176 7.676 13.737 580 HG2 LYS 5 HG2 LYS 5 20.966 9.460 12.009 581 HG3 LYS 5 HG3 LYS 5 21.499 10.663 13.195 582 HD2 LYS 5 HD2 LYS 5 23.631 9.424 13.496 583 HD3 LYS 5 HD3 LYS 5 23.139 8.244 12.278 584 HE2 LYS 5 HE2 LYS 5 23.413 11.236 11.751 585 HE3 LYS 5 HE3 LYS 5 24.731 10.097 11.523 586 HZ1 LYS 5 HZ1 LYS 5 23.478 8.973 9.838 587 HZ2 LYS 5 HZ2 LYS 5 22.147 9.884 10.075 588 HZ3 LYS 5 HZ3 LYS 5 23.482 10.563 9.461 589 H VAL 6 H VAL 6 19.340 9.477 16.927 590 HA VAL 6 HA VAL 6 18.444 12.301 16.541 591 HB VAL 6 HB VAL 6 18.071 10.394 18.857 592 HG11 VAL 6 HG11 VAL 6 16.692 12.184 19.899 593 HG12 VAL 6 HG12 VAL 6 18.412 12.573 19.875 594 HG13 VAL 6 HG13 VAL 6 17.317 13.329 18.694 595 HG21 VAL 6 HG21 VAL 6 16.533 10.213 16.822 596 HG22 VAL 6 HG22 VAL 6 15.750 10.520 18.378 597 HG23 VAL 6 HG23 VAL 6 15.976 11.846 17.227 598 H VAL 7 H VAL 7 19.513 13.993 17.452 599 HA VAL 7 HA VAL 7 21.733 13.476 19.350 600 HB VAL 7 HB VAL 7 22.788 13.744 17.179 601 HG11 VAL 7 HG11 VAL 7 22.742 15.870 15.942 602 HG12 VAL 7 HG12 VAL 7 21.140 15.136 15.986 603 HG13 VAL 7 HG13 VAL 7 21.517 16.516 17.051 604 HG21 VAL 7 HG21 VAL 7 24.397 15.448 17.741 605 HG22 VAL 7 HG22 VAL 7 23.271 16.249 18.846 606 HG23 VAL 7 HG23 VAL 7 23.911 14.632 19.235 607 H LEU 8 H LEU 8 22.023 14.966 20.938 608 HA LEU 8 HA LEU 8 20.424 17.447 21.002 609 HB2 LEU 8 HB2 LEU 8 19.290 16.924 23.050 610 HB3 LEU 8 HB3 LEU 8 18.950 15.698 21.847 611 HG LEU 8 HG LEU 8 20.968 14.417 23.088 612 HD11 LEU 8 HD11 LEU 8 19.710 16.122 25.280 613 HD12 LEU 8 HD12 LEU 8 20.737 14.713 25.553 614 HD13 LEU 8 HD13 LEU 8 21.410 16.151 24.790 615 HD21 LEU 8 HD21 LEU 8 18.696 13.569 22.731 616 HD22 LEU 8 HD22 LEU 8 19.279 13.205 24.354 617 HD23 LEU 8 HD23 LEU 8 18.118 14.520 24.127 618 H THR 9 H THR 9 20.997 18.897 22.704 619 HA THR 9 HA THR 9 23.732 18.483 23.854 620 HB THR 9 HB THR 9 22.474 21.178 23.252 621 HG1 THR 9 HG1 THR 9 22.840 20.126 21.324 622 HG21 THR 9 HG21 THR 9 24.276 21.244 24.935 623 HG22 THR 9 HG22 THR 9 25.337 20.293 23.868 624 HG23 THR 9 HG23 THR 9 24.840 21.936 23.412 625 H LYS 10 H LYS 10 23.966 18.590 25.976 626 HA LYS 10 HA LYS 10 21.627 18.844 27.755 627 HB2 LYS 10 HB2 LYS 10 24.588 18.314 28.307 628 HB3 LYS 10 HB3 LYS 10 23.310 18.252 29.510 629 HG2 LYS 10 HG2 LYS 10 22.197 16.440 28.086 630 HG3 LYS 10 HG3 LYS 10 23.701 16.356 27.160 631 HD2 LYS 10 HD2 LYS 10 23.463 15.995 30.187 632 HD3 LYS 10 HD3 LYS 10 23.544 14.664 29.023 633 HE2 LYS 10 HE2 LYS 10 25.779 15.110 28.438 634 HE3 LYS 10 HE3 LYS 10 25.740 16.752 29.099 635 HZ1 LYS 10 HZ1 LYS 10 25.674 15.893 31.305 636 HZ2 LYS 10 HZ2 LYS 10 25.536 14.336 30.802 637 HZ3 LYS 10 HZ3 LYS 10 26.925 15.154 30.552 638 H ALA 11 H ALA 11 21.651 20.193 29.676 639 HA ALA 11 HA ALA 11 22.501 22.927 29.384 640 HB1 ALA 11 HB1 ALA 11 21.700 21.295 31.844 641 HB2 ALA 11 HB2 ALA 11 21.829 23.064 31.776 642 HB3 ALA 11 HB3 ALA 11 20.611 22.240 30.792 643 H ASP 12 H ASP 12 24.193 20.062 30.491 644 HA ASP 12 HA ASP 12 26.413 21.340 31.831 645 HB2 ASP 12 HB2 ASP 12 26.305 18.700 30.319 646 HB3 ASP 12 HB3 ASP 12 27.535 19.176 31.496 647 H GLY 13 H GLY 13 25.561 21.408 28.511 648 HA2 GLY 13 HA2 GLY 13 26.683 22.308 26.693 649 HA3 GLY 13 HA3 GLY 13 28.187 22.378 27.608 650 H GLY 14 H GLY 14 27.376 19.306 28.184 651 HA2 GLY 14 HA2 GLY 14 28.904 18.073 26.020 652 HA3 GLY 14 HA3 GLY 14 28.086 17.248 27.346 653 H ARG 15 H ARG 15 27.974 16.131 24.884 654 HA ARG 15 HA ARG 15 25.145 16.519 23.979 655 HB2 ARG 15 HB2 ARG 15 27.629 16.238 22.256 656 HB3 ARG 15 HB3 ARG 15 26.002 15.897 21.658 657 HG2 ARG 15 HG2 ARG 15 25.267 18.149 22.258 658 HG3 ARG 15 HG3 ARG 15 26.881 18.560 22.854 659 HD2 ARG 15 HD2 ARG 15 27.809 18.396 20.643 660 HD3 ARG 15 HD3 ARG 15 26.307 17.692 19.996 661 HE ARG 15 HE ARG 15 25.332 19.979 20.975 662 HH11 ARG 15 HH11 ARG 15 28.166 19.634 18.916 663 HH12 ARG 15 HH12 ARG 15 27.969 21.245 18.266 664 HH21 ARG 15 HH21 ARG 15 25.146 21.936 20.113 665 HH22 ARG 15 HH22 ARG 15 26.281 22.518 18.918 666 H VAL 16 H VAL 16 24.092 14.830 23.068 667 HA VAL 16 HA VAL 16 25.043 12.073 23.721 668 HB VAL 16 HB VAL 16 22.375 13.291 24.514 669 HG11 VAL 16 HG11 VAL 16 21.973 10.980 23.839 670 HG12 VAL 16 HG12 VAL 16 23.333 10.426 24.849 671 HG13 VAL 16 HG13 VAL 16 21.872 11.114 25.594 672 HG21 VAL 16 HG21 VAL 16 24.135 13.909 26.101 673 HG22 VAL 16 HG22 VAL 16 23.063 12.720 26.832 674 HG23 VAL 16 HG23 VAL 16 24.653 12.205 26.220 675 H GLU 17 H GLU 17 24.353 10.489 22.337 676 HA GLU 17 HA GLU 17 22.596 11.239 20.061 677 HB2 GLU 17 HB2 GLU 17 25.263 9.803 19.904 678 HB3 GLU 17 HB3 GLU 17 24.088 9.873 18.583 679 HG2 GLU 17 HG2 GLU 17 24.271 12.310 18.496 680 HG3 GLU 17 HG3 GLU 17 25.384 12.310 19.875 681 H ILE 18 H ILE 18 21.389 9.595 19.122 682 HA ILE 18 HA ILE 18 21.315 6.927 20.461 683 HB ILE 18 HB ILE 18 18.851 8.592 19.865 684 HG12 ILE 18 HG12 ILE 18 19.838 7.966 22.675 685 HG13 ILE 18 HG13 ILE 18 20.225 9.481 21.861 686 HG21 ILE 18 HG21 ILE 18 17.625 6.831 21.086 687 HG22 ILE 18 HG22 ILE 18 18.492 6.157 19.720 688 HG23 ILE 18 HG23 ILE 18 19.144 5.955 21.357 689 HD11 ILE 18 HD11 ILE 18 17.826 9.972 21.551 690 HD12 ILE 18 HD12 ILE 18 17.432 8.549 22.547 691 HD13 ILE 18 HD13 ILE 18 18.365 9.894 23.240 692 H GLY 19 H GLY 19 21.396 5.359 18.987 693 HA2 GLY 19 HA2 GLY 19 20.810 5.905 16.118 694 HA3 GLY 19 HA3 GLY 19 21.705 4.538 16.774 695 H ASP 20 H ASP 20 19.828 4.135 14.853 696 HA ASP 20 HA ASP 20 18.068 2.872 14.255 697 HB2 ASP 20 HB2 ASP 20 18.586 1.423 16.857 698 HB3 ASP 20 HB3 ASP 20 17.802 0.788 15.409 699 H VAL 21 H VAL 21 17.213 5.257 15.361 700 HA VAL 21 HA VAL 21 15.032 4.894 17.243 701 HB VAL 21 HB VAL 21 15.932 7.260 15.578 702 HG11 VAL 21 HG11 VAL 21 14.513 8.611 17.123 703 HG12 VAL 21 HG12 VAL 21 13.584 7.615 16.009 704 HG13 VAL 21 HG13 VAL 21 13.764 7.102 17.702 705 HG21 VAL 21 HG21 VAL 21 17.514 6.579 17.338 706 HG22 VAL 21 HG22 VAL 21 16.728 8.092 17.780 707 HG23 VAL 21 HG23 VAL 21 16.210 6.574 18.535 708 H LEU 22 H LEU 22 13.102 4.189 16.855 709 HA LEU 22 HA LEU 22 11.871 4.104 14.166 710 HB2 LEU 22 HB2 LEU 22 11.002 3.239 16.960 711 HB3 LEU 22 HB3 LEU 22 9.897 3.232 15.599 712 HG LEU 22 HG LEU 22 12.473 1.615 15.664 713 HD11 LEU 22 HD11 LEU 22 10.879 0.861 17.392 714 HD12 LEU 22 HD12 LEU 22 9.561 0.827 16.199 715 HD13 LEU 22 HD13 LEU 22 10.912 -0.305 16.050 716 HD21 LEU 22 HD21 LEU 22 11.557 2.102 13.358 717 HD22 LEU 22 HD22 LEU 22 11.457 0.389 13.783 718 HD23 LEU 22 HD23 LEU 22 10.003 1.419 13.863 719 H GLU 23 H GLU 23 11.611 6.044 17.212 720 HA GLU 23 HA GLU 23 9.772 7.900 15.843 721 HB2 GLU 23 HB2 GLU 23 8.422 5.932 16.702 722 HB3 GLU 23 HB3 GLU 23 8.877 6.422 18.341 723 HG2 GLU 23 HG2 GLU 23 7.757 8.606 17.983 724 HG3 GLU 23 HG3 GLU 23 7.339 8.120 16.327 725 H VAL 24 H VAL 24 9.557 9.885 16.780 726 HA VAL 24 HA VAL 24 10.841 10.450 19.413 727 HB VAL 24 HB VAL 24 11.223 12.135 16.922 728 HG11 VAL 24 HG11 VAL 24 11.143 13.523 18.967 729 HG12 VAL 24 HG12 VAL 24 12.338 12.480 19.745 730 HG13 VAL 24 HG13 VAL 24 12.783 13.448 18.328 731 HG21 VAL 24 HG21 VAL 24 13.630 11.583 17.194 732 HG22 VAL 24 HG22 VAL 24 13.200 10.425 18.465 733 HG23 VAL 24 HG23 VAL 24 12.655 10.175 16.787 734 H ARG 25 H ARG 25 9.710 11.879 20.658 735 HA ARG 25 HA ARG 25 7.190 13.112 19.565 736 HB2 ARG 25 HB2 ARG 25 7.229 11.615 22.197 737 HB3 ARG 25 HB3 ARG 25 5.850 12.099 21.211 738 HG2 ARG 25 HG2 ARG 25 6.512 10.338 19.534 739 HG3 ARG 25 HG3 ARG 25 7.843 9.866 20.596 740 HD2 ARG 25 HD2 ARG 25 6.134 9.446 22.425 741 HD3 ARG 25 HD3 ARG 25 4.874 9.686 21.205 742 HE ARG 25 HE ARG 25 5.490 7.695 20.114 743 HH11 ARG 25 HH11 ARG 25 7.814 5.331 21.039 744 HH12 ARG 25 HH12 ARG 25 6.544 5.753 19.885 745 HH21 ARG 25 HH21 ARG 25 7.753 8.192 22.797 746 HH22 ARG 25 HH22 ARG 25 8.493 6.630 22.497 747 H ALA 26 H ALA 26 6.876 15.158 20.246 748 HA ALA 26 HA ALA 26 8.315 16.142 22.678 749 HB1 ALA 26 HB1 ALA 26 7.977 18.370 21.731 750 HB2 ALA 26 HB2 ALA 26 8.823 17.327 20.576 751 HB3 ALA 26 HB3 ALA 26 7.100 17.680 20.346 752 H GLU 27 H GLU 27 7.140 16.332 24.479 753 HA GLU 27 HA GLU 27 4.377 17.270 24.480 754 HB2 GLU 27 HB2 GLU 27 4.122 14.868 23.896 755 HB3 GLU 27 HB3 GLU 27 4.945 14.395 25.366 756 HG2 GLU 27 HG2 GLU 27 2.437 16.115 25.345 757 HG3 GLU 27 HG3 GLU 27 2.360 14.359 25.240 758 H GLY 28 H GLY 28 3.819 18.228 26.407 759 HA2 GLY 28 HA2 GLY 28 3.922 18.922 28.591 760 HA3 GLY 28 HA3 GLY 28 4.739 17.394 28.952 761 H GLY 29 H GLY 29 6.156 19.805 26.780 762 HA2 GLY 29 HA2 GLY 29 8.008 21.157 26.972 763 HA3 GLY 29 HA3 GLY 29 7.934 21.044 28.729 764 H ALA 30 H ALA 30 8.099 18.099 26.848 765 HA ALA 30 HA ALA 30 11.037 17.792 27.215 766 HB1 ALA 30 HB1 ALA 30 9.848 16.856 29.232 767 HB2 ALA 30 HB2 ALA 30 8.895 15.826 28.156 768 HB3 ALA 30 HB3 ALA 30 10.648 15.582 28.280 769 H VAL 31 H VAL 31 11.944 16.088 25.928 770 HA VAL 31 HA VAL 31 10.196 15.069 23.720 771 HB VAL 31 HB VAL 31 13.149 15.702 23.574 772 HG11 VAL 31 HG11 VAL 31 12.836 13.649 22.311 773 HG12 VAL 31 HG12 VAL 31 11.327 14.258 21.591 774 HG13 VAL 31 HG13 VAL 31 12.879 14.980 21.166 775 HG21 VAL 31 HG21 VAL 31 11.542 17.601 23.266 776 HG22 VAL 31 HG22 VAL 31 12.423 17.210 21.782 777 HG23 VAL 31 HG23 VAL 31 10.731 16.694 21.989 778 H ARG 32 H ARG 32 10.171 12.968 23.237 779 HA ARG 32 HA ARG 32 11.756 11.044 24.889 780 HB2 ARG 32 HB2 ARG 32 8.790 10.944 24.203 781 HB3 ARG 32 HB3 ARG 32 9.684 9.606 24.940 782 HG2 ARG 32 HG2 ARG 32 10.138 10.873 26.943 783 HG3 ARG 32 HG3 ARG 32 9.545 12.370 26.217 784 HD2 ARG 32 HD2 ARG 32 7.263 11.147 25.978 785 HD3 ARG 32 HD3 ARG 32 7.938 9.943 27.082 786 HE ARG 32 HE ARG 32 7.649 11.438 28.839 787 HH11 ARG 32 HH11 ARG 32 7.531 13.367 25.903 788 HH12 ARG 32 HH12 ARG 32 7.015 14.802 26.779 789 HH21 ARG 32 HH21 ARG 32 6.923 13.311 29.842 790 HH22 ARG 32 HH22 ARG 32 6.607 14.720 28.866 791 H VAL 33 H VAL 33 12.192 9.056 23.940 792 HA VAL 33 HA VAL 33 11.972 8.912 20.957 793 HB VAL 33 HB VAL 33 14.552 8.434 22.448 794 HG11 VAL 33 HG11 VAL 33 13.969 8.624 19.509 795 HG12 VAL 33 HG12 VAL 33 15.596 8.554 20.223 796 HG13 VAL 33 HG13 VAL 33 14.505 7.193 20.396 797 HG21 VAL 33 HG21 VAL 33 15.401 10.543 21.424 798 HG22 VAL 33 HG22 VAL 33 13.755 10.901 20.853 799 HG23 VAL 33 HG23 VAL 33 14.111 10.846 22.587 800 H THR 34 H THR 34 11.898 6.884 20.071 801 HA THR 34 HA THR 34 12.216 4.509 21.882 802 HB THR 34 HB THR 34 9.995 4.929 19.868 803 HG1 THR 34 HG1 THR 34 9.947 4.664 22.684 804 HG21 THR 34 HG21 THR 34 10.537 2.568 19.924 805 HG22 THR 34 HG22 THR 34 10.599 2.564 21.696 806 HG23 THR 34 HG23 THR 34 9.056 2.812 20.845 807 H THR 35 H THR 35 13.382 2.869 21.087 808 HA THR 35 HA THR 35 14.324 2.965 18.247 809 HB THR 35 HB THR 35 16.262 1.757 18.925 810 HG1 THR 35 HG1 THR 35 16.498 1.315 21.215 811 HG21 THR 35 HG21 THR 35 15.812 3.911 21.036 812 HG22 THR 35 HG22 THR 35 17.360 3.299 20.419 813 HG23 THR 35 HG23 THR 35 16.296 4.224 19.349 814 H LEU 36 H LEU 36 14.833 0.813 17.215 815 HA LEU 36 HA LEU 36 12.574 -0.978 17.421 816 HB2 LEU 36 HB2 LEU 36 13.770 -2.388 15.805 817 HB3 LEU 36 HB3 LEU 36 13.473 -0.748 15.297 818 HG LEU 36 HG LEU 36 15.736 -0.153 15.355 819 HD11 LEU 36 HD11 LEU 36 16.343 -2.749 16.852 820 HD12 LEU 36 HD12 LEU 36 17.569 -1.692 16.131 821 HD13 LEU 36 HD13 LEU 36 16.574 -1.080 17.442 822 HD21 LEU 36 HD21 LEU 36 16.750 -1.764 13.847 823 HD22 LEU 36 HD22 LEU 36 15.705 -3.064 14.450 824 HD23 LEU 36 HD23 LEU 36 14.997 -1.736 13.530 825 H PHE 37 H PHE 37 15.207 -0.837 19.492 826 HA PHE 37 HA PHE 37 15.133 -3.671 20.273 827 HB2 PHE 37 HB2 PHE 37 16.356 -1.260 21.672 828 HB3 PHE 37 HB3 PHE 37 16.616 -2.942 22.092 829 HD1 PHE 37 HD1 PHE 37 17.564 -4.502 20.152 830 HD2 PHE 37 HD2 PHE 37 17.921 -0.203 20.226 831 HE1 PHE 37 HE1 PHE 37 19.470 -4.627 18.565 832 HE2 PHE 37 HE2 PHE 37 19.836 -0.335 18.656 833 HZ PHE 37 HZ PHE 37 20.606 -2.542 17.817 834 H ASP 38 H ASP 38 12.888 -1.280 20.531 835 HA ASP 38 HA ASP 38 11.206 -0.686 21.828 836 HB2 ASP 38 HB2 ASP 38 10.717 -3.153 21.708 837 HB3 ASP 38 HB3 ASP 38 11.416 -3.313 23.316 838 H GLU 39 H GLU 39 13.985 -0.097 22.593 839 HA GLU 39 HA GLU 39 13.825 0.445 25.492 840 HB2 GLU 39 HB2 GLU 39 15.935 -0.316 24.543 841 HB3 GLU 39 HB3 GLU 39 15.992 1.080 23.467 842 HG2 GLU 39 HG2 GLU 39 16.222 2.617 25.315 843 HG3 GLU 39 HG3 GLU 39 15.857 1.342 26.486 844 H GLU 40 H GLU 40 13.575 2.454 26.381 845 HA GLU 40 HA GLU 40 12.602 4.641 24.594 846 HB2 GLU 40 HB2 GLU 40 11.486 3.726 27.259 847 HB3 GLU 40 HB3 GLU 40 11.015 5.212 26.427 848 HG2 GLU 40 HG2 GLU 40 10.261 3.913 24.469 849 HG3 GLU 40 HG3 GLU 40 10.687 2.412 25.292 850 H HIS 41 H HIS 41 12.903 6.726 25.203 851 HA HIS 41 HA HIS 41 14.771 7.351 27.452 852 HB2 HIS 41 HB2 HIS 41 15.045 8.482 24.644 853 HB3 HIS 41 HB3 HIS 41 16.112 8.741 26.019 854 HD2 HIS 41 HD2 HIS 41 15.369 6.250 23.213 855 HE1 HIS 41 HE1 HIS 41 18.760 4.716 25.302 856 HE2 HIS 41 HE2 HIS 41 17.300 4.452 23.238 857 H ALA 42 H ALA 42 14.710 9.561 28.162 858 HA ALA 42 HA ALA 42 12.592 11.329 27.122 859 HB1 ALA 42 HB1 ALA 42 12.712 10.452 30.037 860 HB2 ALA 42 HB2 ALA 42 11.632 11.686 29.358 861 HB3 ALA 42 HB3 ALA 42 11.452 9.988 28.863 862 H PHE 43 H PHE 43 13.061 13.398 27.238 863 HA PHE 43 HA PHE 43 15.455 14.386 28.717 864 HB2 PHE 43 HB2 PHE 43 14.841 14.846 25.800 865 HB3 PHE 43 HB3 PHE 43 16.219 15.472 26.718 866 HD1 PHE 43 HD1 PHE 43 17.874 13.809 27.754 867 HD2 PHE 43 HD2 PHE 43 14.987 12.729 24.741 868 HE1 PHE 43 HE1 PHE 43 19.149 11.727 27.277 869 HE2 PHE 43 HE2 PHE 43 16.274 10.663 24.260 870 HZ PHE 43 HZ PHE 43 18.346 10.148 25.547 871 HA PRO 44 HA PRO 44 12.008 17.361 29.385 872 HB2 PRO 44 HB2 PRO 44 12.751 18.207 31.890 873 HB3 PRO 44 HB3 PRO 44 11.777 16.739 31.572 874 HG2 PRO 44 HG2 PRO 44 14.760 16.944 32.052 875 HG3 PRO 44 HG3 PRO 44 13.590 15.777 32.767 876 HD2 PRO 44 HD2 PRO 44 15.181 15.161 30.646 877 HD3 PRO 44 HD3 PRO 44 13.526 14.509 30.773 878 H GLY 45 H GLY 45 11.951 19.537 29.117 879 HA2 GLY 45 HA2 GLY 45 12.704 21.729 28.904 880 HA3 GLY 45 HA3 GLY 45 14.358 21.230 29.263 881 H LEU 46 H LEU 46 13.228 19.156 26.857 882 HA LEU 46 HA LEU 46 14.461 20.801 24.699 883 HB2 LEU 46 HB2 LEU 46 13.962 17.815 24.772 884 HB3 LEU 46 HB3 LEU 46 14.741 18.709 23.479 885 HG LEU 46 HG LEU 46 15.840 18.212 26.267 886 HD11 LEU 46 HD11 LEU 46 16.946 17.551 23.505 887 HD12 LEU 46 HD12 LEU 46 17.542 16.986 25.078 888 HD13 LEU 46 HD13 LEU 46 15.990 16.420 24.462 889 HD21 LEU 46 HD21 LEU 46 16.505 20.494 25.651 890 HD22 LEU 46 HD22 LEU 46 17.883 19.399 25.477 891 HD23 LEU 46 HD23 LEU 46 17.006 19.939 24.033 892 H ALA 47 H ALA 47 13.681 20.674 22.583 893 HA ALA 47 HA ALA 47 10.996 19.625 22.004 894 HB1 ALA 47 HB1 ALA 47 10.611 22.016 22.491 895 HB2 ALA 47 HB2 ALA 47 11.886 22.473 21.338 896 HB3 ALA 47 HB3 ALA 47 10.395 21.697 20.760 897 H ILE 48 H ILE 48 10.731 19.249 19.636 898 HA ILE 48 HA ILE 48 13.217 18.323 18.399 899 HB ILE 48 HB ILE 48 10.403 18.405 17.279 900 HG12 ILE 48 HG12 ILE 48 11.834 15.935 18.336 901 HG13 ILE 48 HG13 ILE 48 10.829 16.932 19.382 902 HG21 ILE 48 HG21 ILE 48 12.919 16.954 16.326 903 HG22 ILE 48 HG22 ILE 48 11.296 16.707 15.651 904 HG23 ILE 48 HG23 ILE 48 12.082 18.270 15.480 905 HD11 ILE 48 HD11 ILE 48 8.885 16.605 17.853 906 HD12 ILE 48 HD12 ILE 48 9.861 15.448 16.916 907 HD13 ILE 48 HD13 ILE 48 9.467 15.120 18.609 908 H GLY 49 H GLY 49 14.571 19.569 17.279 909 HA2 GLY 49 HA2 GLY 49 13.751 22.330 16.529 910 HA3 GLY 49 HA3 GLY 49 15.382 21.701 16.718 911 H ARG 50 H ARG 50 15.137 19.395 15.002 912 HA ARG 50 HA ARG 50 14.535 20.396 12.281 913 HB2 ARG 50 HB2 ARG 50 16.651 21.513 12.799 914 HB3 ARG 50 HB3 ARG 50 17.354 19.991 13.337 915 HG2 ARG 50 HG2 ARG 50 17.309 19.127 11.028 916 HG3 ARG 50 HG3 ARG 50 16.567 20.641 10.474 917 HD2 ARG 50 HD2 ARG 50 18.538 21.906 11.223 918 HD3 ARG 50 HD3 ARG 50 19.252 20.431 11.889 919 HE ARG 50 HE ARG 50 18.781 20.970 8.960 920 HH11 ARG 50 HH11 ARG 50 20.704 19.214 11.342 921 HH12 ARG 50 HH12 ARG 50 21.791 18.641 10.100 922 HH21 ARG 50 HH21 ARG 50 20.092 20.284 7.572 923 HH22 ARG 50 HH22 ARG 50 21.451 19.220 7.958 924 H VAL 51 H VAL 51 14.532 18.851 10.709 925 HA VAL 51 HA VAL 51 15.580 16.145 11.326 926 HB VAL 51 HB VAL 51 13.006 16.428 9.784 927 HG11 VAL 51 HG11 VAL 51 14.290 14.431 9.262 928 HG12 VAL 51 HG12 VAL 51 14.408 14.026 10.986 929 HG13 VAL 51 HG13 VAL 51 12.836 14.008 10.159 930 HG21 VAL 51 HG21 VAL 51 13.281 15.683 12.710 931 HG22 VAL 51 HG22 VAL 51 12.428 17.101 12.046 932 HG23 VAL 51 HG23 VAL 51 11.819 15.482 11.713 933 H ASP 52 H ASP 52 16.884 15.425 9.755 934 HA ASP 52 HA ASP 52 16.796 16.655 7.017 935 HB2 ASP 52 HB2 ASP 52 18.701 17.572 8.158 936 HB3 ASP 52 HB3 ASP 52 19.199 15.981 8.745 937 H LEU 53 H LEU 53 16.049 15.158 5.675 938 HA LEU 53 HA LEU 53 16.167 12.319 6.351 939 HB2 LEU 53 HB2 LEU 53 14.910 13.806 4.009 940 HB3 LEU 53 HB3 LEU 53 14.756 12.090 4.317 941 HG LEU 53 HG LEU 53 12.777 13.011 5.017 942 HD11 LEU 53 HD11 LEU 53 13.651 11.366 6.612 943 HD12 LEU 53 HD12 LEU 53 14.363 12.676 7.588 944 HD13 LEU 53 HD13 LEU 53 12.611 12.563 7.416 945 HD21 LEU 53 HD21 LEU 53 13.430 15.393 5.213 946 HD22 LEU 53 HD22 LEU 53 12.390 14.830 6.526 947 HD23 LEU 53 HD23 LEU 53 14.113 15.067 6.819 948 H ARG 54 H ARG 54 18.147 14.398 4.543 949 HA ARG 54 HA ARG 54 19.196 12.533 2.584 950 HB2 ARG 54 HB2 ARG 54 20.356 15.065 3.824 951 HB3 ARG 54 HB3 ARG 54 21.074 14.216 2.463 952 HG2 ARG 54 HG2 ARG 54 19.179 14.639 1.050 953 HG3 ARG 54 HG3 ARG 54 18.205 15.285 2.372 954 HD2 ARG 54 HD2 ARG 54 20.764 16.571 1.350 955 HD3 ARG 54 HD3 ARG 54 19.124 17.024 0.863 956 HE ARG 54 HE ARG 54 19.692 17.057 3.781 957 HH11 ARG 54 HH11 ARG 54 19.339 19.133 0.936 958 HH12 ARG 54 HH12 ARG 54 19.080 20.524 1.951 959 HH21 ARG 54 HH21 ARG 54 19.356 18.732 4.876 960 HH22 ARG 54 HH22 ARG 54 18.989 20.315 4.180 961 H SER 55 H SER 55 20.217 13.387 5.908 962 HA SER 55 HA SER 55 22.030 11.010 5.929 963 HB2 SER 55 HB2 SER 55 22.908 13.293 6.533 964 HB3 SER 55 HB3 SER 55 21.822 13.300 7.925 965 HG SER 55 HG SER 55 24.083 11.685 7.372 966 H GLY 56 H GLY 56 18.888 11.906 7.030 967 HA2 GLY 56 HA2 GLY 56 17.339 10.728 8.268 968 HA3 GLY 56 HA3 GLY 56 18.512 9.445 8.580 969 H VAL 57 H VAL 57 19.054 12.874 9.267 970 HA VAL 57 HA VAL 57 19.610 12.260 12.123 971 HB VAL 57 HB VAL 57 20.269 14.621 10.330 972 HG11 VAL 57 HG11 VAL 57 20.780 14.380 13.324 973 HG12 VAL 57 HG12 VAL 57 21.532 15.575 12.245 974 HG13 VAL 57 HG13 VAL 57 19.788 15.617 12.520 975 HG21 VAL 57 HG21 VAL 57 22.565 13.978 10.777 976 HG22 VAL 57 HG22 VAL 57 22.037 12.757 11.949 977 HG23 VAL 57 HG23 VAL 57 21.684 12.548 10.213 978 H ILE 58 H ILE 58 18.472 12.966 13.780 979 HA ILE 58 HA ILE 58 16.396 15.100 13.437 980 HB ILE 58 HB ILE 58 16.402 12.638 15.198 981 HG12 ILE 58 HG12 ILE 58 14.282 13.676 13.273 982 HG13 ILE 58 HG13 ILE 58 15.496 12.462 12.860 983 HG21 ILE 58 HG21 ILE 58 14.610 15.106 15.436 984 HG22 ILE 58 HG22 ILE 58 14.317 13.560 16.260 985 HG23 ILE 58 HG23 ILE 58 15.751 14.479 16.660 986 HD11 ILE 58 HD11 ILE 58 13.228 12.162 14.846 987 HD12 ILE 58 HD12 ILE 58 13.522 11.268 13.355 988 HD13 ILE 58 HD13 ILE 58 14.597 11.018 14.752 989 H SER 59 H SER 59 16.882 16.918 14.534 990 HA SER 59 HA SER 59 18.975 16.801 16.704 991 HB2 SER 59 HB2 SER 59 18.317 19.222 15.028 992 HB3 SER 59 HB3 SER 59 19.596 19.030 16.227 993 HG SER 59 HG SER 59 19.367 17.624 13.751 994 H LEU 60 H LEU 60 18.349 17.284 18.660 995 HA LEU 60 HA LEU 60 15.755 18.686 19.130 996 HB2 LEU 60 HB2 LEU 60 17.458 17.223 21.151 997 HB3 LEU 60 HB3 LEU 60 15.790 17.765 21.326 998 HG LEU 60 HG LEU 60 16.776 15.495 19.537 999 HD11 LEU 60 HD11 LEU 60 16.717 14.941 21.914 1000 HD12 LEU 60 HD12 LEU 60 15.060 15.552 22.047 1001 HD13 LEU 60 HD13 LEU 60 15.406 14.111 21.058 1002 HD21 LEU 60 HD21 LEU 60 14.902 16.577 18.398 1003 HD22 LEU 60 HD22 LEU 60 14.350 15.069 19.128 1004 HD23 LEU 60 HD23 LEU 60 13.967 16.630 19.908 1005 H ILE 61 H ILE 61 15.600 20.441 20.475 1006 HA ILE 61 HA ILE 61 18.094 21.876 21.266 1007 HB ILE 61 HB ILE 61 17.181 23.974 20.384 1008 HG12 ILE 61 HG12 ILE 61 15.508 23.691 18.383 1009 HG13 ILE 61 HG13 ILE 61 14.960 22.243 19.196 1010 HG21 ILE 61 HG21 ILE 61 17.848 23.632 18.097 1011 HG22 ILE 61 HG22 ILE 61 18.854 22.627 19.146 1012 HG23 ILE 61 HG23 ILE 61 17.535 21.883 18.208 1013 HD11 ILE 61 HD11 ILE 61 14.236 23.582 21.131 1014 HD12 ILE 61 HD12 ILE 61 14.987 25.035 20.431 1015 HD13 ILE 61 HD13 ILE 61 13.583 24.277 19.643 1016 H GLU 62 H GLU 62 17.790 23.497 22.921 1017 HA GLU 62 HA GLU 62 15.901 22.748 24.949 1018 HB2 GLU 62 HB2 GLU 62 17.532 25.300 24.739 1019 HB3 GLU 62 HB3 GLU 62 16.719 24.667 26.165 1020 HG2 GLU 62 HG2 GLU 62 18.763 23.884 26.669 1021 HG3 GLU 62 HG3 GLU 62 18.243 22.523 25.686 1022 H GLU 63 H GLU 63 13.902 23.468 25.444 1023 HA GLU 63 HA GLU 63 12.448 24.474 23.239 1024 HB2 GLU 63 HB2 GLU 63 10.497 24.023 24.529 1025 HB3 GLU 63 HB3 GLU 63 11.677 22.737 24.728 1026 HG2 GLU 63 HG2 GLU 63 11.550 22.907 26.938 1027 HG3 GLU 63 HG3 GLU 63 12.163 24.547 26.873 1028 H GLN 64 H GLN 64 13.992 26.396 25.442 1029 HA GLN 64 HA GLN 64 12.283 28.728 24.710 1030 HB2 GLN 64 HB2 GLN 64 14.013 28.398 27.182 1031 HB3 GLN 64 HB3 GLN 64 13.097 29.849 26.784 1032 HG2 GLN 64 HG2 GLN 64 11.908 27.118 27.429 1033 HG3 GLN 64 HG3 GLN 64 11.968 28.487 28.528 1034 HE21 GLN 64 HE21 GLN 64 9.601 27.014 27.487 1035 HE22 GLN 64 HE22 GLN 64 8.597 28.273 26.749 1036 H ASN 65 H ASN 65 14.814 27.388 23.704 1037 HA ASN 65 HA ASN 65 16.424 29.864 23.177 1038 HB2 ASN 65 HB2 ASN 65 17.337 26.969 23.206 1039 HB3 ASN 65 HB3 ASN 65 18.334 28.337 22.739 1040 HD21 ASN 65 HD21 ASN 65 19.332 29.582 24.299 1041 HD22 ASN 65 HD22 ASN 65 19.117 29.308 26.020 1042 H ARG 66 H ARG 66 14.146 29.631 21.856 1043 HA ARG 66 HA ARG 66 14.857 29.067 19.018 1044 HB2 ARG 66 HB2 ARG 66 12.845 27.754 18.667 1045 HB3 ARG 66 HB3 ARG 66 13.847 27.016 19.916 1046 HG2 ARG 66 HG2 ARG 66 12.368 28.051 21.675 1047 HG3 ARG 66 HG3 ARG 66 11.362 28.724 20.392 1048 HD2 ARG 66 HD2 ARG 66 10.957 26.359 19.562 1049 HD3 ARG 66 HD3 ARG 66 11.846 25.773 20.977 1050 HE ARG 66 HE ARG 66 10.127 26.514 22.412 1051 HH11 ARG 66 HH11 ARG 66 9.271 27.482 19.114 1052 HH12 ARG 66 HH12 ARG 66 7.678 28.005 19.682 1053 HH21 ARG 66 HH21 ARG 66 7.974 27.126 22.863 1054 HH22 ARG 66 HH22 ARG 66 7.025 27.813 21.545 Start of MODEL 19 1 H1 GLY -3 H1 GLY -3 24.880 3.012 -2.064 2 H2 GLY -3 H2 GLY -3 25.996 1.834 -2.304 3 H3 GLY -3 H3 GLY -3 26.220 2.943 -1.117 4 HA2 GLY -3 HA2 GLY -3 25.519 0.850 -0.166 5 HA3 GLY -3 HA3 GLY -3 24.323 2.124 0.101 6 HA PRO -2 HA PRO -2 22.740 -1.299 -2.995 7 HB2 PRO -2 HB2 PRO -2 22.809 -3.380 -0.819 8 HB3 PRO -2 HB3 PRO -2 23.017 -3.576 -2.586 9 HG2 PRO -2 HG2 PRO -2 25.175 -3.614 -0.947 10 HG3 PRO -2 HG3 PRO -2 25.240 -2.699 -2.487 11 HD2 PRO -2 HD2 PRO -2 24.689 -1.638 0.305 12 HD3 PRO -2 HD3 PRO -2 25.810 -1.019 -0.941 13 H GLY -1 H GLY -1 22.008 -1.033 0.487 14 HA2 GLY -1 HA2 GLY -1 19.124 -1.482 0.187 15 HA3 GLY -1 HA3 GLY -1 19.960 -0.968 1.652 16 H SER 0 H SER 0 17.474 0.062 0.413 17 HA SER 0 HA SER 0 18.094 2.929 0.528 18 HB2 SER 0 HB2 SER 0 17.101 3.494 -1.611 19 HB3 SER 0 HB3 SER 0 18.480 2.402 -1.854 20 HG SER 0 HG SER 0 16.678 1.803 -3.116 21 H MET 1 H MET 1 16.215 4.308 0.555 22 HA MET 1 HA MET 1 13.544 3.222 0.828 23 HB2 MET 1 HB2 MET 1 13.089 3.897 3.063 24 HB3 MET 1 HB3 MET 1 14.419 2.762 3.095 25 HG2 MET 1 HG2 MET 1 14.748 5.785 3.261 26 HG3 MET 1 HG3 MET 1 14.566 4.746 4.659 27 HE1 MET 1 HE1 MET 1 18.305 6.219 4.306 28 HE2 MET 1 HE2 MET 1 16.865 6.893 3.502 29 HE3 MET 1 HE3 MET 1 16.782 6.372 5.209 30 H CYS 2 H CYS 2 11.956 4.945 1.275 31 HA CYS 2 HA CYS 2 12.526 7.292 -0.406 32 HB2 CYS 2 HB2 CYS 2 10.502 5.862 -0.664 33 HB3 CYS 2 HB3 CYS 2 9.974 6.346 0.965 34 HG CYS 2 HG CYS 2 9.654 8.844 0.520 35 H MET 3 H MET 3 12.185 9.458 0.217 36 HA MET 3 HA MET 3 12.864 10.267 2.906 37 HB2 MET 3 HB2 MET 3 11.637 11.887 0.621 38 HB3 MET 3 HB3 MET 3 12.273 12.530 2.123 39 HG2 MET 3 HG2 MET 3 13.980 12.893 0.609 40 HG3 MET 3 HG3 MET 3 14.518 11.511 1.550 41 HE1 MET 3 HE1 MET 3 11.955 11.649 -1.614 42 HE2 MET 3 HE2 MET 3 13.201 12.907 -1.836 43 HE3 MET 3 HE3 MET 3 13.154 11.489 -2.903 44 H ALA 4 H ALA 4 11.484 11.690 4.229 45 HA ALA 4 HA ALA 4 8.924 10.505 4.838 46 HB1 ALA 4 HB1 ALA 4 8.968 12.154 6.689 47 HB2 ALA 4 HB2 ALA 4 10.528 11.342 6.532 48 HB3 ALA 4 HB3 ALA 4 10.312 13.003 5.922 49 H LYS 5 H LYS 5 7.117 12.154 5.465 50 HA LYS 5 HA LYS 5 6.840 14.477 3.643 51 HB2 LYS 5 HB2 LYS 5 4.494 14.084 3.261 52 HB3 LYS 5 HB3 LYS 5 5.439 12.724 2.662 53 HG2 LYS 5 HG2 LYS 5 4.842 11.418 4.714 54 HG3 LYS 5 HG3 LYS 5 3.845 12.777 5.272 55 HD2 LYS 5 HD2 LYS 5 2.439 12.592 3.249 56 HD3 LYS 5 HD3 LYS 5 3.454 11.253 2.657 57 HE2 LYS 5 HE2 LYS 5 2.886 9.942 4.708 58 HE3 LYS 5 HE3 LYS 5 1.834 11.267 5.253 59 HZ1 LYS 5 HZ1 LYS 5 1.458 9.713 2.745 60 HZ2 LYS 5 HZ2 LYS 5 0.571 9.535 4.104 61 HZ3 LYS 5 HZ3 LYS 5 0.484 10.924 3.251 62 H VAL 6 H VAL 6 5.785 16.249 4.513 63 HA VAL 6 HA VAL 6 5.473 16.237 7.484 64 HB VAL 6 HB VAL 6 5.605 18.674 5.704 65 HG11 VAL 6 HG11 VAL 6 6.273 19.826 7.799 66 HG12 VAL 6 HG12 VAL 6 4.649 19.167 7.894 67 HG13 VAL 6 HG13 VAL 6 5.988 18.324 8.697 68 HG21 VAL 6 HG21 VAL 6 7.729 17.592 5.394 69 HG22 VAL 6 HG22 VAL 6 7.971 18.915 6.519 70 HG23 VAL 6 HG23 VAL 6 7.886 17.255 7.135 71 H VAL 7 H VAL 7 3.556 16.939 8.472 72 HA VAL 7 HA VAL 7 1.265 17.742 6.765 73 HB VAL 7 HB VAL 7 1.089 15.332 6.927 74 HG11 VAL 7 HG11 VAL 7 2.244 14.914 9.086 75 HG12 VAL 7 HG12 VAL 7 0.880 15.654 9.955 76 HG13 VAL 7 HG13 VAL 7 0.654 14.158 9.032 77 HG21 VAL 7 HG21 VAL 7 -1.191 15.161 7.676 78 HG22 VAL 7 HG22 VAL 7 -1.045 16.598 8.696 79 HG23 VAL 7 HG23 VAL 7 -0.981 16.752 6.929 80 H LEU 8 H LEU 8 -0.216 19.037 7.641 81 HA LEU 8 HA LEU 8 -0.189 19.792 10.493 82 HB2 LEU 8 HB2 LEU 8 0.367 22.103 10.114 83 HB3 LEU 8 HB3 LEU 8 1.639 21.082 9.500 84 HG LEU 8 HG LEU 8 0.181 21.412 7.196 85 HD11 LEU 8 HD11 LEU 8 -1.436 22.997 8.201 86 HD12 LEU 8 HD12 LEU 8 -0.097 24.028 8.729 87 HD13 LEU 8 HD13 LEU 8 -0.418 23.803 7.004 88 HD21 LEU 8 HD21 LEU 8 2.591 21.766 7.436 89 HD22 LEU 8 HD22 LEU 8 1.817 23.089 6.546 90 HD23 LEU 8 HD23 LEU 8 2.287 23.318 8.248 91 H THR 9 H THR 9 -1.892 21.192 11.112 92 HA THR 9 HA THR 9 -4.205 21.420 9.211 93 HB THR 9 HB THR 9 -4.410 21.145 12.232 94 HG1 THR 9 HG1 THR 9 -3.709 19.218 11.344 95 HG21 THR 9 HG21 THR 9 -6.479 21.014 9.979 96 HG22 THR 9 HG22 THR 9 -6.799 20.636 11.687 97 HG23 THR 9 HG23 THR 9 -6.351 22.282 11.214 98 H LYS 10 H LYS 10 -5.039 23.381 8.906 99 HA LYS 10 HA LYS 10 -3.710 25.766 10.031 100 HB2 LYS 10 HB2 LYS 10 -5.878 25.436 7.909 101 HB3 LYS 10 HB3 LYS 10 -5.054 26.949 8.307 102 HG2 LYS 10 HG2 LYS 10 -2.862 25.835 7.715 103 HG3 LYS 10 HG3 LYS 10 -3.771 24.455 7.095 104 HD2 LYS 10 HD2 LYS 10 -4.039 27.329 6.098 105 HD3 LYS 10 HD3 LYS 10 -3.067 26.054 5.333 106 HE2 LYS 10 HE2 LYS 10 -5.116 24.682 5.005 107 HE3 LYS 10 HE3 LYS 10 -6.095 25.965 5.740 108 HZ1 LYS 10 HZ1 LYS 10 -6.112 26.112 3.313 109 HZ2 LYS 10 HZ2 LYS 10 -5.404 27.437 3.936 110 HZ3 LYS 10 HZ3 LYS 10 -4.486 26.273 3.266 111 H ALA 11 H ALA 11 -4.988 27.636 10.744 112 HA ALA 11 HA ALA 11 -6.699 27.054 12.926 113 HB1 ALA 11 HB1 ALA 11 -5.283 29.065 12.726 114 HB2 ALA 11 HB2 ALA 11 -6.285 29.660 11.380 115 HB3 ALA 11 HB3 ALA 11 -6.981 29.508 13.009 116 H ASP 12 H ASP 12 -7.557 27.662 9.555 117 HA ASP 12 HA ASP 12 -10.444 27.898 10.062 118 HB2 ASP 12 HB2 ASP 12 -8.858 27.539 7.502 119 HB3 ASP 12 HB3 ASP 12 -10.585 27.858 7.583 120 H GLY 13 H GLY 13 -8.481 25.234 10.336 121 HA2 GLY 13 HA2 GLY 13 -9.089 23.035 10.678 122 HA3 GLY 13 HA3 GLY 13 -10.693 23.345 10.022 123 H GLY 14 H GLY 14 -8.621 24.487 7.691 124 HA2 GLY 14 HA2 GLY 14 -8.754 22.132 5.957 125 HA3 GLY 14 HA3 GLY 14 -7.950 23.661 5.604 126 H ARG 15 H ARG 15 -6.772 21.220 4.950 127 HA ARG 15 HA ARG 15 -4.416 21.091 6.802 128 HB2 ARG 15 HB2 ARG 15 -5.974 18.787 5.599 129 HB3 ARG 15 HB3 ARG 15 -4.315 18.625 6.214 130 HG2 ARG 15 HG2 ARG 15 -5.015 19.481 8.409 131 HG3 ARG 15 HG3 ARG 15 -6.697 19.585 7.862 132 HD2 ARG 15 HD2 ARG 15 -6.847 17.204 7.605 133 HD3 ARG 15 HD3 ARG 15 -5.101 17.002 7.868 134 HE ARG 15 HE ARG 15 -5.731 18.217 10.162 135 HH11 ARG 15 HH11 ARG 15 -7.400 15.459 8.726 136 HH12 ARG 15 HH12 ARG 15 -7.928 14.887 10.286 137 HH21 ARG 15 HH21 ARG 15 -6.437 17.431 12.051 138 HH22 ARG 15 HH22 ARG 15 -7.403 15.984 12.120 139 H VAL 16 H VAL 16 -2.467 20.477 6.014 140 HA VAL 16 HA VAL 16 -2.027 20.723 3.078 141 HB VAL 16 HB VAL 16 -0.490 22.285 5.185 142 HG11 VAL 16 HG11 VAL 16 0.621 23.359 3.251 143 HG12 VAL 16 HG12 VAL 16 0.992 21.640 3.346 144 HG13 VAL 16 HG13 VAL 16 -0.201 22.235 2.151 145 HG21 VAL 16 HG21 VAL 16 -2.420 23.267 3.040 146 HG22 VAL 16 HG22 VAL 16 -2.674 23.335 4.802 147 HG23 VAL 16 HG23 VAL 16 -1.393 24.295 4.064 148 H GLU 17 H GLU 17 -0.447 19.428 2.293 149 HA GLU 17 HA GLU 17 1.307 17.940 4.180 150 HB2 GLU 17 HB2 GLU 17 0.068 16.718 1.689 151 HB3 GLU 17 HB3 GLU 17 1.160 15.962 2.836 152 HG2 GLU 17 HG2 GLU 17 -0.913 15.087 3.431 153 HG3 GLU 17 HG3 GLU 17 -0.604 16.330 4.637 154 H ILE 18 H ILE 18 3.387 17.651 3.561 155 HA ILE 18 HA ILE 18 4.297 18.785 0.944 156 HB ILE 18 HB ILE 18 5.769 19.173 3.568 157 HG12 ILE 18 HG12 ILE 18 5.175 21.710 2.823 158 HG13 ILE 18 HG13 ILE 18 3.749 20.932 2.178 159 HG21 ILE 18 HG21 ILE 18 7.203 19.047 1.593 160 HG22 ILE 18 HG22 ILE 18 6.223 20.291 0.778 161 HG23 ILE 18 HG23 ILE 18 7.166 20.688 2.223 162 HD11 ILE 18 HD11 ILE 18 3.334 21.753 4.439 163 HD12 ILE 18 HD12 ILE 18 3.338 19.991 4.533 164 HD13 ILE 18 HD13 ILE 18 4.758 20.909 5.064 165 H GLY 19 H GLY 19 4.585 16.882 -0.090 166 HA2 GLY 19 HA2 GLY 19 5.959 14.586 1.108 167 HA3 GLY 19 HA3 GLY 19 5.351 14.708 -0.531 168 H ASP 20 H ASP 20 7.769 13.528 0.046 169 HA ASP 20 HA ASP 20 9.980 13.468 -0.416 170 HB2 ASP 20 HB2 ASP 20 9.287 15.372 -2.654 171 HB3 ASP 20 HB3 ASP 20 10.683 14.293 -2.561 172 H VAL 21 H VAL 21 9.560 15.071 1.732 173 HA VAL 21 HA VAL 21 10.972 17.599 1.522 174 HB VAL 21 HB VAL 21 9.283 17.470 3.157 175 HG11 VAL 21 HG11 VAL 21 10.690 15.045 4.308 176 HG12 VAL 21 HG12 VAL 21 9.499 15.996 5.204 177 HG13 VAL 21 HG13 VAL 21 9.020 15.203 3.701 178 HG21 VAL 21 HG21 VAL 21 10.371 18.246 5.082 179 HG22 VAL 21 HG22 VAL 21 11.869 17.349 4.750 180 HG23 VAL 21 HG23 VAL 21 11.392 18.726 3.733 181 H LEU 22 H LEU 22 13.050 18.115 1.931 182 HA LEU 22 HA LEU 22 14.971 15.882 2.457 183 HB2 LEU 22 HB2 LEU 22 15.483 18.663 1.362 184 HB3 LEU 22 HB3 LEU 22 16.662 17.372 1.561 185 HG LEU 22 HG LEU 22 14.366 17.491 -0.421 186 HD11 LEU 22 HD11 LEU 22 17.394 17.278 -0.719 187 HD12 LEU 22 HD12 LEU 22 16.221 17.285 -2.054 188 HD13 LEU 22 HD13 LEU 22 16.393 18.714 -1.020 189 HD21 LEU 22 HD21 LEU 22 16.165 15.122 0.202 190 HD22 LEU 22 HD22 LEU 22 14.394 15.181 0.285 191 HD23 LEU 22 HD23 LEU 22 15.191 15.283 -1.277 192 H GLU 23 H GLU 23 13.837 19.000 3.710 193 HA GLU 23 HA GLU 23 15.195 18.491 6.270 194 HB2 GLU 23 HB2 GLU 23 16.914 19.593 4.910 195 HB3 GLU 23 HB3 GLU 23 15.803 20.927 4.551 196 HG2 GLU 23 HG2 GLU 23 15.774 21.561 6.937 197 HG3 GLU 23 HG3 GLU 23 16.821 20.195 7.326 198 H VAL 24 H VAL 24 14.246 19.440 7.997 199 HA VAL 24 HA VAL 24 12.153 21.544 7.671 200 HB VAL 24 HB VAL 24 11.794 19.161 9.499 201 HG11 VAL 24 HG11 VAL 24 9.846 21.341 8.678 202 HG12 VAL 24 HG12 VAL 24 9.460 19.943 9.690 203 HG13 VAL 24 HG13 VAL 24 10.584 21.162 10.267 204 HG21 VAL 24 HG21 VAL 24 9.978 18.383 8.036 205 HG22 VAL 24 HG22 VAL 24 10.501 19.577 6.822 206 HG23 VAL 24 HG23 VAL 24 11.572 18.240 7.306 207 H ARG 25 H ARG 25 12.160 23.050 9.301 208 HA ARG 25 HA ARG 25 13.770 22.609 11.787 209 HB2 ARG 25 HB2 ARG 25 13.827 25.138 10.088 210 HB3 ARG 25 HB3 ARG 25 14.616 24.899 11.648 211 HG2 ARG 25 HG2 ARG 25 16.039 23.107 10.614 212 HG3 ARG 25 HG3 ARG 25 15.302 23.490 9.040 213 HD2 ARG 25 HD2 ARG 25 16.054 25.874 9.358 214 HD3 ARG 25 HD3 ARG 25 16.929 25.371 10.800 215 HE ARG 25 HE ARG 25 17.649 23.734 8.515 216 HH11 ARG 25 HH11 ARG 25 18.327 26.948 9.791 217 HH12 ARG 25 HH12 ARG 25 19.815 27.059 8.873 218 HH21 ARG 25 HH21 ARG 25 19.389 23.947 7.427 219 HH22 ARG 25 HH22 ARG 25 20.439 25.367 7.537 220 H ALA 26 H ALA 26 12.881 23.384 13.578 221 HA ALA 26 HA ALA 26 10.429 25.071 13.483 222 HB1 ALA 26 HB1 ALA 26 10.251 23.040 14.876 223 HB2 ALA 26 HB2 ALA 26 11.707 23.534 15.787 224 HB3 ALA 26 HB3 ALA 26 10.217 24.511 15.873 225 H GLU 27 H GLU 27 10.585 27.168 14.006 226 HA GLU 27 HA GLU 27 13.119 28.272 15.129 227 HB2 GLU 27 HB2 GLU 27 12.610 28.384 12.561 228 HB3 GLU 27 HB3 GLU 27 11.486 29.677 13.010 229 HG2 GLU 27 HG2 GLU 27 13.367 30.966 13.958 230 HG3 GLU 27 HG3 GLU 27 14.440 29.574 13.794 231 H GLY 28 H GLY 28 12.640 30.774 15.629 232 HA2 GLY 28 HA2 GLY 28 11.248 30.737 18.048 233 HA3 GLY 28 HA3 GLY 28 11.814 32.179 17.221 234 H GLY 29 H GLY 29 9.677 31.116 15.030 235 HA2 GLY 29 HA2 GLY 29 7.136 31.578 16.397 236 HA3 GLY 29 HA3 GLY 29 7.592 32.874 15.289 237 H ALA 30 H ALA 30 8.631 29.731 14.206 238 HA ALA 30 HA ALA 30 6.247 29.065 12.684 239 HB1 ALA 30 HB1 ALA 30 8.660 30.261 11.213 240 HB2 ALA 30 HB2 ALA 30 7.193 29.594 10.459 241 HB3 ALA 30 HB3 ALA 30 7.104 31.082 11.413 242 H VAL 31 H VAL 31 6.503 27.209 11.339 243 HA VAL 31 HA VAL 31 9.086 25.703 11.559 244 HB VAL 31 HB VAL 31 6.349 24.742 10.724 245 HG11 VAL 31 HG11 VAL 31 7.475 22.504 10.395 246 HG12 VAL 31 HG12 VAL 31 7.861 23.687 9.146 247 HG13 VAL 31 HG13 VAL 31 9.032 23.323 10.436 248 HG21 VAL 31 HG21 VAL 31 6.637 23.190 12.573 249 HG22 VAL 31 HG22 VAL 31 8.320 23.714 12.819 250 HG23 VAL 31 HG23 VAL 31 6.991 24.820 13.156 251 H ARG 32 H ARG 32 10.303 25.353 9.781 252 HA ARG 32 HA ARG 32 9.384 26.339 7.119 253 HB2 ARG 32 HB2 ARG 32 11.989 27.014 8.545 254 HB3 ARG 32 HB3 ARG 32 11.840 27.071 6.785 255 HG2 ARG 32 HG2 ARG 32 10.033 28.680 6.907 256 HG3 ARG 32 HG3 ARG 32 9.988 28.596 8.676 257 HD2 ARG 32 HD2 ARG 32 12.097 29.647 8.890 258 HD3 ARG 32 HD3 ARG 32 12.471 29.455 7.163 259 HE ARG 32 HE ARG 32 10.712 31.058 6.606 260 HH11 ARG 32 HH11 ARG 32 11.898 31.338 9.937 261 HH12 ARG 32 HH12 ARG 32 11.136 32.888 10.116 262 HH21 ARG 32 HH21 ARG 32 9.819 33.025 6.952 263 HH22 ARG 32 HH22 ARG 32 10.025 33.818 8.486 264 H VAL 33 H VAL 33 10.055 25.183 5.363 265 HA VAL 33 HA VAL 33 11.629 22.722 5.725 266 HB VAL 33 HB VAL 33 9.828 21.664 6.480 267 HG11 VAL 33 HG11 VAL 33 7.458 22.009 5.972 268 HG12 VAL 33 HG12 VAL 33 8.227 23.421 6.678 269 HG13 VAL 33 HG13 VAL 33 7.912 23.384 4.926 270 HG21 VAL 33 HG21 VAL 33 9.045 21.515 3.548 271 HG22 VAL 33 HG22 VAL 33 10.345 20.579 4.325 272 HG23 VAL 33 HG23 VAL 33 8.671 20.343 4.821 273 H THR 34 H THR 34 12.390 21.761 3.948 274 HA THR 34 HA THR 34 11.919 23.110 1.305 275 HB THR 34 HB THR 34 14.611 22.283 2.448 276 HG1 THR 34 HG1 THR 34 13.825 24.201 3.316 277 HG21 THR 34 HG21 THR 34 15.528 23.495 0.470 278 HG22 THR 34 HG22 THR 34 14.654 22.021 0.021 279 HG23 THR 34 HG23 THR 34 13.889 23.612 -0.205 280 H THR 35 H THR 35 11.864 21.872 -0.482 281 HA THR 35 HA THR 35 11.635 18.922 -0.062 282 HB THR 35 HB THR 35 10.059 18.904 -1.848 283 HG1 THR 35 HG1 THR 35 10.420 21.697 -2.067 284 HG21 THR 35 HG21 THR 35 9.330 21.279 -0.090 285 HG22 THR 35 HG22 THR 35 8.235 20.181 -0.962 286 HG23 THR 35 HG23 THR 35 9.210 19.572 0.392 287 H LEU 36 H LEU 36 11.924 17.512 -1.868 288 HA LEU 36 HA LEU 36 14.378 17.512 -3.233 289 HB2 LEU 36 HB2 LEU 36 13.129 15.561 -2.787 290 HB3 LEU 36 HB3 LEU 36 11.696 16.160 -3.620 291 HG LEU 36 HG LEU 36 14.160 15.786 -5.310 292 HD11 LEU 36 HD11 LEU 36 12.425 13.491 -4.313 293 HD12 LEU 36 HD12 LEU 36 13.659 13.395 -5.589 294 HD13 LEU 36 HD13 LEU 36 14.152 13.751 -3.930 295 HD21 LEU 36 HD21 LEU 36 12.476 15.000 -6.924 296 HD22 LEU 36 HD22 LEU 36 11.206 15.092 -5.684 297 HD23 LEU 36 HD23 LEU 36 11.971 16.571 -6.296 298 H PHE 37 H PHE 37 11.374 19.088 -4.169 299 HA PHE 37 HA PHE 37 12.145 19.540 -6.949 300 HB2 PHE 37 HB2 PHE 37 9.858 20.706 -5.327 301 HB3 PHE 37 HB3 PHE 37 10.016 20.696 -7.080 302 HD1 PHE 37 HD1 PHE 37 8.908 18.836 -4.170 303 HD2 PHE 37 HD2 PHE 37 10.037 18.434 -8.314 304 HE1 PHE 37 HE1 PHE 37 7.792 16.625 -4.256 305 HE2 PHE 37 HE2 PHE 37 8.921 16.211 -8.401 306 HZ PHE 37 HZ PHE 37 7.800 15.307 -6.369 307 H ASP 38 H ASP 38 13.490 20.820 -4.327 308 HA ASP 38 HA ASP 38 14.539 22.652 -3.668 309 HB2 ASP 38 HB2 ASP 38 14.404 23.720 -6.496 310 HB3 ASP 38 HB3 ASP 38 15.498 24.231 -5.223 311 H GLU 39 H GLU 39 11.445 22.641 -4.002 312 HA GLU 39 HA GLU 39 10.866 25.505 -3.677 313 HB2 GLU 39 HB2 GLU 39 9.272 24.086 -4.893 314 HB3 GLU 39 HB3 GLU 39 9.075 23.068 -3.463 315 HG2 GLU 39 HG2 GLU 39 7.174 24.524 -3.671 316 HG3 GLU 39 HG3 GLU 39 8.082 24.977 -2.235 317 H GLU 40 H GLU 40 10.123 26.445 -1.736 318 HA GLU 40 HA GLU 40 10.719 25.027 0.810 319 HB2 GLU 40 HB2 GLU 40 12.749 26.058 0.235 320 HB3 GLU 40 HB3 GLU 40 11.994 27.561 -0.246 321 HG2 GLU 40 HG2 GLU 40 11.723 26.591 2.609 322 HG3 GLU 40 HG3 GLU 40 13.241 27.286 2.074 323 H HIS 41 H HIS 41 9.459 25.557 2.492 324 HA HIS 41 HA HIS 41 7.230 27.510 2.068 325 HB2 HIS 41 HB2 HIS 41 7.014 24.790 3.392 326 HB3 HIS 41 HB3 HIS 41 5.704 25.887 2.978 327 HD2 HIS 41 HD2 HIS 41 7.849 23.094 1.589 328 HE1 HIS 41 HE1 HIS 41 5.257 24.237 -1.597 329 HE2 HIS 41 HE2 HIS 41 6.963 22.504 -0.818 330 H ALA 42 H ALA 42 6.306 28.416 3.916 331 HA ALA 42 HA ALA 42 7.599 27.915 6.547 332 HB1 ALA 42 HB1 ALA 42 7.545 30.321 7.040 333 HB2 ALA 42 HB2 ALA 42 8.538 30.014 5.595 334 HB3 ALA 42 HB3 ALA 42 6.896 30.658 5.421 335 H PHE 43 H PHE 43 6.260 27.800 8.233 336 HA PHE 43 HA PHE 43 3.346 28.354 7.905 337 HB2 PHE 43 HB2 PHE 43 4.573 25.861 9.109 338 HB3 PHE 43 HB3 PHE 43 2.859 26.252 8.991 339 HD1 PHE 43 HD1 PHE 43 5.610 24.647 7.355 340 HD2 PHE 43 HD2 PHE 43 1.883 26.681 6.603 341 HE1 PHE 43 HE1 PHE 43 5.474 23.608 5.089 342 HE2 PHE 43 HE2 PHE 43 1.774 25.657 4.342 343 HZ PHE 43 HZ PHE 43 3.572 24.119 3.584 344 HA PRO 44 HA PRO 44 4.896 30.506 11.658 345 HB2 PRO 44 HB2 PRO 44 3.033 32.518 11.757 346 HB3 PRO 44 HB3 PRO 44 4.477 32.522 10.693 347 HG2 PRO 44 HG2 PRO 44 1.654 31.687 9.983 348 HG3 PRO 44 HG3 PRO 44 2.760 32.787 9.070 349 HD2 PRO 44 HD2 PRO 44 2.463 30.174 8.414 350 HD3 PRO 44 HD3 PRO 44 4.060 30.981 8.305 351 H GLY 45 H GLY 45 4.287 30.560 13.757 352 HA2 GLY 45 HA2 GLY 45 3.114 30.121 15.696 353 HA3 GLY 45 HA3 GLY 45 1.658 29.820 14.772 354 H LEU 46 H LEU 46 3.998 27.794 13.451 355 HA LEU 46 HA LEU 46 3.071 25.497 15.090 356 HB2 LEU 46 HB2 LEU 46 4.486 25.493 12.406 357 HB3 LEU 46 HB3 LEU 46 3.834 24.094 13.264 358 HG LEU 46 HG LEU 46 2.265 26.350 11.969 359 HD11 LEU 46 HD11 LEU 46 1.421 24.588 10.541 360 HD12 LEU 46 HD12 LEU 46 3.191 24.484 10.558 361 HD13 LEU 46 HD13 LEU 46 2.232 23.343 11.520 362 HD21 LEU 46 HD21 LEU 46 1.051 25.770 14.010 363 HD22 LEU 46 HD22 LEU 46 0.216 25.064 12.624 364 HD23 LEU 46 HD23 LEU 46 1.226 24.034 13.668 365 H ALA 47 H ALA 47 4.460 23.781 15.583 366 HA ALA 47 HA ALA 47 7.385 24.073 15.423 367 HB1 ALA 47 HB1 ALA 47 7.659 23.228 17.749 368 HB2 ALA 47 HB2 ALA 47 6.909 24.837 17.695 369 HB3 ALA 47 HB3 ALA 47 5.907 23.403 17.999 370 H ILE 48 H ILE 48 8.457 21.889 15.652 371 HA ILE 48 HA ILE 48 6.913 19.809 14.298 372 HB ILE 48 HB ILE 48 9.698 19.700 15.472 373 HG12 ILE 48 HG12 ILE 48 9.071 19.886 12.512 374 HG13 ILE 48 HG13 ILE 48 9.242 21.343 13.471 375 HG21 ILE 48 HG21 ILE 48 8.763 17.436 15.246 376 HG22 ILE 48 HG22 ILE 48 8.207 17.805 13.597 377 HG23 ILE 48 HG23 ILE 48 9.928 17.680 13.944 378 HD11 ILE 48 HD11 ILE 48 11.409 19.229 13.157 379 HD12 ILE 48 HD12 ILE 48 11.369 20.840 12.427 380 HD13 ILE 48 HD13 ILE 48 11.514 20.681 14.176 381 H GLY 49 H GLY 49 5.573 18.414 15.307 382 HA2 GLY 49 HA2 GLY 49 5.569 18.271 18.266 383 HA3 GLY 49 HA3 GLY 49 4.302 17.746 17.157 384 H ARG 50 H ARG 50 5.733 16.047 15.445 385 HA ARG 50 HA ARG 50 7.000 13.906 17.043 386 HB2 ARG 50 HB2 ARG 50 4.659 13.604 17.603 387 HB3 ARG 50 HB3 ARG 50 4.182 13.697 15.910 388 HG2 ARG 50 HG2 ARG 50 5.208 11.561 15.421 389 HG3 ARG 50 HG3 ARG 50 5.933 11.488 17.044 390 HD2 ARG 50 HD2 ARG 50 3.749 11.340 18.077 391 HD3 ARG 50 HD3 ARG 50 2.941 11.582 16.518 392 HE ARG 50 HE ARG 50 4.488 9.399 15.994 393 HH11 ARG 50 HH11 ARG 50 2.072 9.875 18.517 394 HH12 ARG 50 HH12 ARG 50 1.727 8.162 18.553 395 HH21 ARG 50 HH21 ARG 50 4.069 7.420 16.125 396 HH22 ARG 50 HH22 ARG 50 2.890 6.748 17.258 397 H VAL 51 H VAL 51 7.975 12.335 15.886 398 HA VAL 51 HA VAL 51 7.903 12.410 12.902 399 HB VAL 51 HB VAL 51 10.455 12.151 14.525 400 HG11 VAL 51 HG11 VAL 51 9.898 12.255 11.520 401 HG12 VAL 51 HG12 VAL 51 11.513 12.365 12.244 402 HG13 VAL 51 HG13 VAL 51 10.566 10.891 12.436 403 HG21 VAL 51 HG21 VAL 51 9.754 14.494 14.612 404 HG22 VAL 51 HG22 VAL 51 11.111 14.322 13.499 405 HG23 VAL 51 HG23 VAL 51 9.462 14.516 12.865 406 H ASP 52 H ASP 52 7.136 10.525 12.299 407 HA ASP 52 HA ASP 52 7.703 8.013 13.822 408 HB2 ASP 52 HB2 ASP 52 5.669 8.657 11.654 409 HB3 ASP 52 HB3 ASP 52 5.924 7.062 12.364 410 H LEU 53 H LEU 53 9.627 7.150 13.175 411 HA LEU 53 HA LEU 53 10.503 7.251 10.378 412 HB2 LEU 53 HB2 LEU 53 11.628 5.680 12.733 413 HB3 LEU 53 HB3 LEU 53 12.333 5.805 11.155 414 HG LEU 53 HG LEU 53 13.595 7.210 12.507 415 HD11 LEU 53 HD11 LEU 53 13.074 8.213 10.334 416 HD12 LEU 53 HD12 LEU 53 11.686 9.061 11.041 417 HD13 LEU 53 HD13 LEU 53 13.335 9.444 11.580 418 HD21 LEU 53 HD21 LEU 53 12.845 8.934 13.968 419 HD22 LEU 53 HD22 LEU 53 11.159 8.733 13.487 420 HD23 LEU 53 HD23 LEU 53 11.999 7.454 14.401 421 H ARG 54 H ARG 54 8.551 5.149 12.333 422 HA ARG 54 HA ARG 54 8.668 2.745 10.731 423 HB2 ARG 54 HB2 ARG 54 6.500 3.842 12.592 424 HB3 ARG 54 HB3 ARG 54 6.468 2.241 11.845 425 HG2 ARG 54 HG2 ARG 54 8.706 1.762 12.892 426 HG3 ARG 54 HG3 ARG 54 8.549 3.260 13.813 427 HD2 ARG 54 HD2 ARG 54 6.539 0.971 13.864 428 HD3 ARG 54 HD3 ARG 54 7.881 1.125 15.006 429 HE ARG 54 HE ARG 54 6.636 3.533 15.318 430 HH11 ARG 54 HH11 ARG 54 5.357 0.272 15.403 431 HH12 ARG 54 HH12 ARG 54 4.127 0.689 16.571 432 HH21 ARG 54 HH21 ARG 54 5.118 3.960 16.925 433 HH22 ARG 54 HH22 ARG 54 4.000 2.703 17.394 434 H SER 55 H SER 55 6.981 5.746 10.165 435 HA SER 55 HA SER 55 5.717 4.563 7.718 436 HB2 SER 55 HB2 SER 55 3.735 5.907 8.142 437 HB3 SER 55 HB3 SER 55 4.061 4.823 9.507 438 HG SER 55 HG SER 55 3.582 6.908 10.245 439 H GLY 56 H GLY 56 7.758 7.065 8.869 440 HA2 GLY 56 HA2 GLY 56 8.920 8.656 7.660 441 HA3 GLY 56 HA3 GLY 56 8.069 8.179 6.192 442 H VAL 57 H VAL 57 6.753 9.400 9.315 443 HA VAL 57 HA VAL 57 5.559 11.724 7.831 444 HB VAL 57 HB VAL 57 4.232 10.052 9.979 445 HG11 VAL 57 HG11 VAL 57 3.266 12.570 8.534 446 HG12 VAL 57 HG12 VAL 57 2.252 11.515 9.542 447 HG13 VAL 57 HG13 VAL 57 3.578 12.405 10.277 448 HG21 VAL 57 HG21 VAL 57 4.155 8.978 7.770 449 HG22 VAL 57 HG22 VAL 57 2.559 9.616 8.174 450 HG23 VAL 57 HG23 VAL 57 3.595 10.492 7.028 451 H ILE 58 H ILE 58 6.024 13.615 8.509 452 HA ILE 58 HA ILE 58 6.988 14.149 11.289 453 HB ILE 58 HB ILE 58 7.347 15.672 8.691 454 HG12 ILE 58 HG12 ILE 58 9.413 14.340 10.504 455 HG13 ILE 58 HG13 ILE 58 8.806 13.645 9.004 456 HG21 ILE 58 HG21 ILE 58 8.656 17.317 9.962 457 HG22 ILE 58 HG22 ILE 58 7.021 17.262 10.586 458 HG23 ILE 58 HG23 ILE 58 8.321 16.443 11.477 459 HD11 ILE 58 HD11 ILE 58 10.467 16.175 9.251 460 HD12 ILE 58 HD12 ILE 58 10.930 14.627 8.535 461 HD13 ILE 58 HD13 ILE 58 9.686 15.620 7.744 462 H SER 59 H SER 59 5.339 14.734 12.560 463 HA SER 59 HA SER 59 2.948 16.123 11.423 464 HB2 SER 59 HB2 SER 59 2.553 14.026 12.642 465 HB3 SER 59 HB3 SER 59 3.312 14.732 14.078 466 HG SER 59 HG SER 59 0.989 14.901 14.058 467 H LEU 60 H LEU 60 2.685 18.230 11.750 468 HA LEU 60 HA LEU 60 4.345 19.647 13.785 469 HB2 LEU 60 HB2 LEU 60 2.625 20.868 11.613 470 HB3 LEU 60 HB3 LEU 60 3.851 21.654 12.601 471 HG LEU 60 HG LEU 60 4.303 19.625 10.381 472 HD11 LEU 60 HD11 LEU 60 5.505 21.529 9.328 473 HD12 LEU 60 HD12 LEU 60 3.811 21.898 9.630 474 HD13 LEU 60 HD13 LEU 60 5.046 22.557 10.713 475 HD21 LEU 60 HD21 LEU 60 6.366 20.907 12.230 476 HD22 LEU 60 HD22 LEU 60 6.000 19.177 12.089 477 HD23 LEU 60 HD23 LEU 60 6.742 20.016 10.729 478 H ILE 61 H ILE 61 3.461 21.115 15.221 479 HA ILE 61 HA ILE 61 0.537 21.049 15.766 480 HB ILE 61 HB ILE 61 0.943 20.815 18.166 481 HG12 ILE 61 HG12 ILE 61 3.209 19.597 18.764 482 HG13 ILE 61 HG13 ILE 61 3.861 20.499 17.400 483 HG21 ILE 61 HG21 ILE 61 2.054 18.462 16.592 484 HG22 ILE 61 HG22 ILE 61 1.260 18.414 18.163 485 HG23 ILE 61 HG23 ILE 61 0.334 18.888 16.732 486 HD11 ILE 61 HD11 ILE 61 2.450 21.729 19.817 487 HD12 ILE 61 HD12 ILE 61 4.203 21.548 19.648 488 HD13 ILE 61 HD13 ILE 61 3.324 22.616 18.547 489 H GLU 62 H GLU 62 -0.282 22.873 16.938 490 HA GLU 62 HA GLU 62 1.081 25.381 16.438 491 HB2 GLU 62 HB2 GLU 62 -1.266 24.887 18.310 492 HB3 GLU 62 HB3 GLU 62 -0.714 26.413 17.635 493 HG2 GLU 62 HG2 GLU 62 -2.403 26.051 16.196 494 HG3 GLU 62 HG3 GLU 62 -1.156 25.193 15.299 495 H GLU 63 H GLU 63 2.584 26.380 17.559 496 HA GLU 63 HA GLU 63 3.835 24.970 19.717 497 HB2 GLU 63 HB2 GLU 63 5.607 26.476 19.437 498 HB3 GLU 63 HB3 GLU 63 4.930 26.200 17.854 499 HG2 GLU 63 HG2 GLU 63 5.072 28.435 17.637 500 HG3 GLU 63 HG3 GLU 63 3.517 28.425 18.485 501 H GLN 64 H GLN 64 1.424 27.414 19.832 502 HA GLN 64 HA GLN 64 2.090 28.527 22.399 503 HB2 GLN 64 HB2 GLN 64 -0.440 28.535 20.701 504 HB3 GLN 64 HB3 GLN 64 -0.318 29.462 22.190 505 HG2 GLN 64 HG2 GLN 64 1.663 29.878 19.904 506 HG3 GLN 64 HG3 GLN 64 0.116 30.701 20.002 507 HE21 GLN 64 HE21 GLN 64 3.384 30.651 21.288 508 HE22 GLN 64 HE22 GLN 64 3.145 32.026 22.366 509 H ASN 65 H ASN 65 1.394 25.589 21.965 510 HA ASN 65 HA ASN 65 -0.311 25.057 24.352 511 HB2 ASN 65 HB2 ASN 65 0.877 23.202 22.235 512 HB3 ASN 65 HB3 ASN 65 -0.037 22.658 23.632 513 HD21 ASN 65 HD21 ASN 65 -0.320 23.842 20.417 514 HD22 ASN 65 HD22 ASN 65 -2.078 23.926 20.427 515 H ARG 66 H ARG 66 2.745 26.012 24.047 516 HA ARG 66 HA ARG 66 3.783 24.411 26.359 517 HB2 ARG 66 HB2 ARG 66 5.342 25.263 23.873 518 HB3 ARG 66 HB3 ARG 66 6.033 24.489 25.294 519 HG2 ARG 66 HG2 ARG 66 3.979 23.217 23.416 520 HG3 ARG 66 HG3 ARG 66 5.712 22.925 23.409 521 HD2 ARG 66 HD2 ARG 66 5.629 21.972 25.647 522 HD3 ARG 66 HD3 ARG 66 3.904 22.307 25.782 523 HE ARG 66 HE ARG 66 5.201 20.282 24.021 524 HH11 ARG 66 HH11 ARG 66 2.131 21.620 25.150 525 HH12 ARG 66 HH12 ARG 66 1.263 20.200 24.631 526 HH21 ARG 66 HH21 ARG 66 3.966 18.607 23.296 527 HH22 ARG 66 HH22 ARG 66 2.256 18.581 23.579 528 H1 GLY -3 H1 GLY -3 22.952 -6.387 3.879 529 H2 GLY -3 H2 GLY -3 21.734 -5.683 3.035 530 H3 GLY -3 H3 GLY -3 21.895 -7.311 3.034 531 HA2 GLY -3 HA2 GLY -3 21.407 -7.430 5.386 532 HA3 GLY -3 HA3 GLY -3 21.235 -5.670 5.388 533 HA PRO -2 HA PRO -2 17.351 -8.063 3.739 534 HB2 PRO -2 HB2 PRO -2 15.959 -8.866 5.966 535 HB3 PRO -2 HB3 PRO -2 17.222 -9.862 5.182 536 HG2 PRO -2 HG2 PRO -2 17.532 -8.022 7.576 537 HG3 PRO -2 HG3 PRO -2 18.065 -9.729 7.419 538 HD2 PRO -2 HD2 PRO -2 19.783 -7.674 6.995 539 HD3 PRO -2 HD3 PRO -2 19.846 -9.140 5.973 540 H GLY -1 H GLY -1 15.235 -7.236 3.667 541 HA2 GLY -1 HA2 GLY -1 13.453 -5.801 4.000 542 HA3 GLY -1 HA3 GLY -1 14.240 -5.167 5.438 543 H SER 0 H SER 0 16.648 -4.564 3.498 544 HA SER 0 HA SER 0 17.554 -2.876 2.377 545 HB2 SER 0 HB2 SER 0 15.931 -3.629 0.670 546 HB3 SER 0 HB3 SER 0 14.829 -2.333 1.183 547 HG SER 0 HG SER 0 16.127 -1.733 -0.610 548 H MET 1 H MET 1 14.616 -1.784 4.006 549 HA MET 1 HA MET 1 15.139 0.984 4.166 550 HB2 MET 1 HB2 MET 1 13.079 -0.666 4.804 551 HB3 MET 1 HB3 MET 1 13.721 -0.439 6.417 552 HG2 MET 1 HG2 MET 1 12.814 1.723 4.461 553 HG3 MET 1 HG3 MET 1 11.867 1.091 5.789 554 HE1 MET 1 HE1 MET 1 13.567 2.616 8.958 555 HE2 MET 1 HE2 MET 1 12.231 1.642 8.348 556 HE3 MET 1 HE3 MET 1 13.896 1.009 8.284 557 H CYS 2 H CYS 2 15.997 2.308 5.837 558 HA CYS 2 HA CYS 2 17.312 1.041 8.147 559 HB2 CYS 2 HB2 CYS 2 19.041 1.116 6.377 560 HB3 CYS 2 HB3 CYS 2 18.831 2.880 6.273 561 HG CYS 2 HG CYS 2 21.049 2.305 7.597 562 H MET 3 H MET 3 17.129 2.186 9.938 563 HA MET 3 HA MET 3 15.333 4.434 10.051 564 HB2 MET 3 HB2 MET 3 17.004 3.048 12.190 565 HB3 MET 3 HB3 MET 3 15.881 4.359 12.513 566 HG2 MET 3 HG2 MET 3 14.636 2.460 12.990 567 HG3 MET 3 HG3 MET 3 14.044 2.995 11.436 568 HE1 MET 3 HE1 MET 3 16.560 -0.777 12.321 569 HE2 MET 3 HE2 MET 3 17.320 0.825 12.374 570 HE3 MET 3 HE3 MET 3 15.995 0.433 13.499 571 H ALA 4 H ALA 4 15.670 6.397 11.202 572 HA ALA 4 HA ALA 4 18.091 7.906 10.584 573 HB1 ALA 4 HB1 ALA 4 15.627 8.600 12.257 574 HB2 ALA 4 HB2 ALA 4 16.807 9.744 11.594 575 HB3 ALA 4 HB3 ALA 4 15.770 8.835 10.496 576 H LYS 5 H LYS 5 18.610 9.444 12.628 577 HA LYS 5 HA LYS 5 18.807 8.017 15.207 578 HB2 LYS 5 HB2 LYS 5 21.170 8.698 15.520 579 HB3 LYS 5 HB3 LYS 5 20.959 7.496 14.258 580 HG2 LYS 5 HG2 LYS 5 21.219 9.161 12.500 581 HG3 LYS 5 HG3 LYS 5 21.243 10.485 13.672 582 HD2 LYS 5 HD2 LYS 5 23.306 8.243 13.624 583 HD3 LYS 5 HD3 LYS 5 23.489 9.759 12.726 584 HE2 LYS 5 HE2 LYS 5 23.418 11.085 14.767 585 HE3 LYS 5 HE3 LYS 5 23.032 9.659 15.735 586 HZ1 LYS 5 HZ1 LYS 5 25.230 8.753 15.114 587 HZ2 LYS 5 HZ2 LYS 5 25.586 10.119 14.295 588 HZ3 LYS 5 HZ3 LYS 5 25.367 10.161 15.919 589 H VAL 6 H VAL 6 19.040 9.382 17.034 590 HA VAL 6 HA VAL 6 18.176 12.209 16.569 591 HB VAL 6 HB VAL 6 17.873 10.654 19.136 592 HG11 VAL 6 HG11 VAL 6 17.802 13.046 19.516 593 HG12 VAL 6 HG12 VAL 6 16.653 13.254 18.167 594 HG13 VAL 6 HG13 VAL 6 16.167 12.395 19.636 595 HG21 VAL 6 HG21 VAL 6 15.442 10.518 18.522 596 HG22 VAL 6 HG22 VAL 6 15.897 11.007 16.872 597 HG23 VAL 6 HG23 VAL 6 16.510 9.492 17.564 598 H VAL 7 H VAL 7 19.254 13.907 17.553 599 HA VAL 7 HA VAL 7 21.516 13.357 19.388 600 HB VAL 7 HB VAL 7 22.556 13.510 17.241 601 HG11 VAL 7 HG11 VAL 7 22.557 15.580 15.887 602 HG12 VAL 7 HG12 VAL 7 20.944 14.860 15.968 603 HG13 VAL 7 HG13 VAL 7 21.331 16.293 16.957 604 HG21 VAL 7 HG21 VAL 7 24.212 15.177 17.690 605 HG22 VAL 7 HG22 VAL 7 23.100 16.137 18.684 606 HG23 VAL 7 HG23 VAL 7 23.671 14.559 19.258 607 H LEU 8 H LEU 8 21.922 14.839 20.918 608 HA LEU 8 HA LEU 8 20.745 17.530 20.827 609 HB2 LEU 8 HB2 LEU 8 19.702 17.407 23.003 610 HB3 LEU 8 HB3 LEU 8 19.086 16.105 22.011 611 HG LEU 8 HG LEU 8 21.177 14.809 23.257 612 HD11 LEU 8 HD11 LEU 8 21.063 15.351 25.661 613 HD12 LEU 8 HD12 LEU 8 21.674 16.732 24.740 614 HD13 LEU 8 HD13 LEU 8 19.999 16.728 25.310 615 HD21 LEU 8 HD21 LEU 8 18.893 13.958 23.033 616 HD22 LEU 8 HD22 LEU 8 19.489 13.776 24.686 617 HD23 LEU 8 HD23 LEU 8 18.339 15.082 24.296 618 H THR 9 H THR 9 21.802 18.995 22.388 619 HA THR 9 HA THR 9 24.490 18.048 23.306 620 HB THR 9 HB THR 9 23.937 20.802 22.178 621 HG1 THR 9 HG1 THR 9 23.879 19.274 20.547 622 HG21 THR 9 HG21 THR 9 26.427 20.923 22.151 623 HG22 THR 9 HG22 THR 9 25.806 20.754 23.799 624 HG23 THR 9 HG23 THR 9 26.515 19.352 22.972 625 H LYS 10 H LYS 10 24.995 18.416 25.334 626 HA LYS 10 HA LYS 10 23.035 19.551 27.202 627 HB2 LYS 10 HB2 LYS 10 25.778 18.287 27.622 628 HB3 LYS 10 HB3 LYS 10 24.627 18.672 28.905 629 HG2 LYS 10 HG2 LYS 10 22.973 17.097 27.900 630 HG3 LYS 10 HG3 LYS 10 24.156 16.650 26.664 631 HD2 LYS 10 HD2 LYS 10 24.582 16.289 29.661 632 HD3 LYS 10 HD3 LYS 10 23.989 15.038 28.557 633 HE2 LYS 10 HE2 LYS 10 26.079 15.201 27.236 634 HE3 LYS 10 HE3 LYS 10 26.692 16.442 28.336 635 HZ1 LYS 10 HZ1 LYS 10 26.037 13.653 29.104 636 HZ2 LYS 10 HZ2 LYS 10 27.542 14.245 28.916 637 HZ3 LYS 10 HZ3 LYS 10 26.604 14.796 30.129 638 H ALA 11 H ALA 11 23.630 21.035 28.911 639 HA ALA 11 HA ALA 11 24.893 23.446 28.086 640 HB1 ALA 11 HB1 ALA 11 23.125 23.276 29.804 641 HB2 ALA 11 HB2 ALA 11 24.253 22.396 30.877 642 HB3 ALA 11 HB3 ALA 11 24.570 24.090 30.433 643 H ASP 12 H ASP 12 26.261 20.571 29.578 644 HA ASP 12 HA ASP 12 28.840 21.720 30.310 645 HB2 ASP 12 HB2 ASP 12 27.957 18.842 29.862 646 HB3 ASP 12 HB3 ASP 12 29.497 19.338 30.556 647 H GLY 13 H GLY 13 27.521 21.178 27.258 648 HA2 GLY 13 HA2 GLY 13 28.499 21.538 25.211 649 HA3 GLY 13 HA3 GLY 13 30.115 21.434 25.920 650 H GLY 14 H GLY 14 28.615 18.678 26.953 651 HA2 GLY 14 HA2 GLY 14 29.722 16.938 24.828 652 HA3 GLY 14 HA3 GLY 14 29.035 16.437 26.372 653 H ARG 15 H ARG 15 28.448 15.409 23.672 654 HA ARG 15 HA ARG 15 25.570 16.158 23.318 655 HB2 ARG 15 HB2 ARG 15 27.289 14.432 21.518 656 HB3 ARG 15 HB3 ARG 15 25.636 14.967 21.221 657 HG2 ARG 15 HG2 ARG 15 26.536 17.372 21.388 658 HG3 ARG 15 HG3 ARG 15 28.153 16.660 21.256 659 HD2 ARG 15 HD2 ARG 15 25.862 16.476 19.248 660 HD3 ARG 15 HD3 ARG 15 27.367 17.361 19.042 661 HE ARG 15 HE ARG 15 26.935 14.437 18.778 662 HH11 ARG 15 HH11 ARG 15 29.457 16.876 18.947 663 HH12 ARG 15 HH12 ARG 15 30.640 15.774 18.282 664 HH21 ARG 15 HH21 ARG 15 28.365 13.169 18.046 665 HH22 ARG 15 HH22 ARG 15 30.027 13.679 17.723 666 H VAL 16 H VAL 16 23.993 14.570 23.005 667 HA VAL 16 HA VAL 16 24.560 11.793 23.914 668 HB VAL 16 HB VAL 16 22.058 13.329 24.692 669 HG11 VAL 16 HG11 VAL 16 21.462 11.281 25.945 670 HG12 VAL 16 HG12 VAL 16 21.495 11.003 24.203 671 HG13 VAL 16 HG13 VAL 16 22.845 10.431 25.206 672 HG21 VAL 16 HG21 VAL 16 22.796 12.930 27.018 673 HG22 VAL 16 HG22 VAL 16 24.313 12.231 26.418 674 HG23 VAL 16 HG23 VAL 16 23.941 13.949 26.140 675 H GLU 17 H GLU 17 23.742 10.258 22.582 676 HA GLU 17 HA GLU 17 22.122 11.112 20.242 677 HB2 GLU 17 HB2 GLU 17 24.811 9.689 20.112 678 HB3 GLU 17 HB3 GLU 17 23.687 9.870 18.759 679 HG2 GLU 17 HG2 GLU 17 23.834 12.313 18.924 680 HG3 GLU 17 HG3 GLU 17 24.973 12.190 20.268 681 H ILE 18 H ILE 18 20.917 9.538 19.244 682 HA ILE 18 HA ILE 18 20.793 6.829 20.503 683 HB ILE 18 HB ILE 18 18.350 8.528 19.895 684 HG12 ILE 18 HG12 ILE 18 18.145 8.161 22.557 685 HG13 ILE 18 HG13 ILE 18 19.892 8.195 22.466 686 HG21 ILE 18 HG21 ILE 18 17.161 6.712 21.096 687 HG22 ILE 18 HG22 ILE 18 17.986 6.105 19.660 688 HG23 ILE 18 HG23 ILE 18 18.684 5.832 21.275 689 HD11 ILE 18 HD11 ILE 18 19.032 10.435 22.942 690 HD12 ILE 18 HD12 ILE 18 19.669 10.473 21.301 691 HD13 ILE 18 HD13 ILE 18 17.915 10.353 21.561 692 H GLY 19 H GLY 19 21.346 5.475 18.923 693 HA2 GLY 19 HA2 GLY 19 20.610 5.912 16.089 694 HA3 GLY 19 HA3 GLY 19 21.594 4.604 16.746 695 H ASP 20 H ASP 20 19.705 4.070 14.845 696 HA ASP 20 HA ASP 20 17.986 2.731 14.293 697 HB2 ASP 20 HB2 ASP 20 18.591 1.316 16.893 698 HB3 ASP 20 HB3 ASP 20 17.805 0.649 15.459 699 H VAL 21 H VAL 21 17.072 5.100 15.408 700 HA VAL 21 HA VAL 21 14.952 4.605 17.319 701 HB VAL 21 HB VAL 21 16.198 6.693 17.280 702 HG11 VAL 21 HG11 VAL 21 14.693 7.387 14.733 703 HG12 VAL 21 HG12 VAL 21 15.732 8.470 15.649 704 HG13 VAL 21 HG13 VAL 21 16.422 7.061 14.842 705 HG21 VAL 21 HG21 VAL 21 13.894 6.557 18.237 706 HG22 VAL 21 HG22 VAL 21 14.417 8.159 17.733 707 HG23 VAL 21 HG23 VAL 21 13.266 7.246 16.721 708 H LEU 22 H LEU 22 12.850 4.266 17.061 709 HA LEU 22 HA LEU 22 11.728 3.905 14.319 710 HB2 LEU 22 HB2 LEU 22 10.796 3.026 17.094 711 HB3 LEU 22 HB3 LEU 22 9.902 2.751 15.610 712 HG LEU 22 HG LEU 22 12.641 1.581 16.280 713 HD11 LEU 22 HD11 LEU 22 11.339 -0.552 16.308 714 HD12 LEU 22 HD12 LEU 22 10.797 0.588 17.557 715 HD13 LEU 22 HD13 LEU 22 9.849 0.375 16.076 716 HD21 LEU 22 HD21 LEU 22 10.846 1.112 13.857 717 HD22 LEU 22 HD22 LEU 22 12.452 1.886 13.832 718 HD23 LEU 22 HD23 LEU 22 12.311 0.183 14.251 719 H GLU 23 H GLU 23 11.379 5.891 17.229 720 HA GLU 23 HA GLU 23 9.339 7.619 15.960 721 HB2 GLU 23 HB2 GLU 23 8.161 5.623 16.819 722 HB3 GLU 23 HB3 GLU 23 8.839 5.888 18.424 723 HG2 GLU 23 HG2 GLU 23 7.569 7.932 18.697 724 HG3 GLU 23 HG3 GLU 23 7.046 7.897 17.010 725 H VAL 24 H VAL 24 9.351 9.676 16.766 726 HA VAL 24 HA VAL 24 10.589 10.274 19.394 727 HB VAL 24 HB VAL 24 11.262 11.962 16.976 728 HG11 VAL 24 HG11 VAL 24 11.435 13.156 19.057 729 HG12 VAL 24 HG12 VAL 24 12.404 11.852 19.778 730 HG13 VAL 24 HG13 VAL 24 13.060 12.821 18.453 731 HG21 VAL 24 HG21 VAL 24 13.539 10.992 17.065 732 HG22 VAL 24 HG22 VAL 24 12.906 9.716 18.122 733 HG23 VAL 24 HG23 VAL 24 12.316 9.885 16.465 734 H ARG 25 H ARG 25 9.526 11.892 20.508 735 HA ARG 25 HA ARG 25 7.483 13.595 19.185 736 HB2 ARG 25 HB2 ARG 25 5.778 12.658 20.951 737 HB3 ARG 25 HB3 ARG 25 6.014 11.856 19.403 738 HG2 ARG 25 HG2 ARG 25 7.440 10.167 20.406 739 HG3 ARG 25 HG3 ARG 25 7.371 10.970 21.984 740 HD2 ARG 25 HD2 ARG 25 5.150 10.261 22.359 741 HD3 ARG 25 HD3 ARG 25 4.802 10.156 20.630 742 HE ARG 25 HE ARG 25 5.504 7.976 20.584 743 HH11 ARG 25 HH11 ARG 25 6.872 9.235 23.548 744 HH12 ARG 25 HH12 ARG 25 7.679 7.714 23.894 745 HH21 ARG 25 HH21 ARG 25 6.455 6.206 21.038 746 HH22 ARG 25 HH22 ARG 25 7.521 6.033 22.431 747 H ALA 26 H ALA 26 6.824 15.350 20.256 748 HA ALA 26 HA ALA 26 8.335 16.072 22.718 749 HB1 ALA 26 HB1 ALA 26 7.813 18.384 22.071 750 HB2 ALA 26 HB2 ALA 26 8.648 17.534 20.762 751 HB3 ALA 26 HB3 ALA 26 6.887 17.795 20.661 752 H GLU 27 H GLU 27 7.278 16.263 24.614 753 HA GLU 27 HA GLU 27 4.312 16.402 24.758 754 HB2 GLU 27 HB2 GLU 27 5.070 14.009 24.352 755 HB3 GLU 27 HB3 GLU 27 5.895 14.085 25.910 756 HG2 GLU 27 HG2 GLU 27 3.641 14.676 26.948 757 HG3 GLU 27 HG3 GLU 27 2.923 14.429 25.343 758 H GLY 28 H GLY 28 3.741 17.677 26.441 759 HA2 GLY 28 HA2 GLY 28 3.730 18.729 28.482 760 HA3 GLY 28 HA3 GLY 28 4.596 17.315 29.075 761 H GLY 29 H GLY 29 6.106 19.441 26.695 762 HA2 GLY 29 HA2 GLY 29 7.827 21.003 26.890 763 HA3 GLY 29 HA3 GLY 29 7.718 20.929 28.649 764 H ALA 30 H ALA 30 8.004 17.870 27.084 765 HA ALA 30 HA ALA 30 10.975 17.741 27.299 766 HB1 ALA 30 HB1 ALA 30 9.825 16.634 29.264 767 HB2 ALA 30 HB2 ALA 30 8.952 15.602 28.120 768 HB3 ALA 30 HB3 ALA 30 10.721 15.478 28.242 769 H VAL 31 H VAL 31 11.862 15.882 26.033 770 HA VAL 31 HA VAL 31 10.109 15.022 23.748 771 HB VAL 31 HB VAL 31 13.100 15.475 23.666 772 HG11 VAL 31 HG11 VAL 31 11.244 14.244 21.574 773 HG12 VAL 31 HG12 VAL 31 12.900 14.779 21.256 774 HG13 VAL 31 HG13 VAL 31 12.624 13.451 22.374 775 HG21 VAL 31 HG21 VAL 31 10.813 16.685 22.049 776 HG22 VAL 31 HG22 VAL 31 11.686 17.488 23.370 777 HG23 VAL 31 HG23 VAL 31 12.546 17.072 21.885 778 H ARG 32 H ARG 32 9.902 12.941 23.334 779 HA ARG 32 HA ARG 32 11.438 10.901 24.908 780 HB2 ARG 32 HB2 ARG 32 8.519 10.904 24.059 781 HB3 ARG 32 HB3 ARG 32 9.384 9.479 24.660 782 HG2 ARG 32 HG2 ARG 32 9.683 10.441 26.842 783 HG3 ARG 32 HG3 ARG 32 9.145 12.037 26.286 784 HD2 ARG 32 HD2 ARG 32 7.375 10.965 27.548 785 HD3 ARG 32 HD3 ARG 32 6.894 11.190 25.862 786 HE ARG 32 HE ARG 32 7.995 8.568 26.122 787 HH11 ARG 32 HH11 ARG 32 5.032 10.261 27.048 788 HH12 ARG 32 HH12 ARG 32 4.180 8.747 27.247 789 HH21 ARG 32 HH21 ARG 32 6.865 6.817 26.220 790 HH22 ARG 32 HH22 ARG 32 5.179 6.809 26.748 791 H VAL 33 H VAL 33 12.163 9.119 23.817 792 HA VAL 33 HA VAL 33 11.629 8.840 20.928 793 HB VAL 33 HB VAL 33 13.387 9.836 20.178 794 HG11 VAL 33 HG11 VAL 33 13.495 11.393 21.994 795 HG12 VAL 33 HG12 VAL 33 14.473 10.258 22.968 796 HG13 VAL 33 HG13 VAL 33 15.120 10.996 21.480 797 HG21 VAL 33 HG21 VAL 33 15.634 9.036 20.342 798 HG22 VAL 33 HG22 VAL 33 15.224 8.053 21.767 799 HG23 VAL 33 HG23 VAL 33 14.521 7.682 20.170 800 H THR 34 H THR 34 11.738 6.818 20.140 801 HA THR 34 HA THR 34 12.363 4.660 22.137 802 HB THR 34 HB THR 34 10.014 4.577 20.236 803 HG1 THR 34 HG1 THR 34 9.784 6.331 21.641 804 HG21 THR 34 HG21 THR 34 9.160 2.958 21.916 805 HG22 THR 34 HG22 THR 34 10.687 2.406 21.221 806 HG23 THR 34 HG23 THR 34 10.674 3.131 22.843 807 H THR 35 H THR 35 13.382 2.859 21.449 808 HA THR 35 HA THR 35 14.310 2.760 18.599 809 HB THR 35 HB THR 35 16.221 1.560 19.394 810 HG1 THR 35 HG1 THR 35 15.153 1.808 22.007 811 HG21 THR 35 HG21 THR 35 17.343 3.167 20.815 812 HG22 THR 35 HG22 THR 35 16.346 4.039 19.630 813 HG23 THR 35 HG23 THR 35 15.803 3.894 21.314 814 H LEU 36 H LEU 36 14.839 0.593 17.707 815 HA LEU 36 HA LEU 36 12.679 -1.300 18.008 816 HB2 LEU 36 HB2 LEU 36 13.993 -2.727 16.477 817 HB3 LEU 36 HB3 LEU 36 13.612 -1.136 15.879 818 HG LEU 36 HG LEU 36 15.851 -0.372 16.056 819 HD11 LEU 36 HD11 LEU 36 17.744 -1.827 16.769 820 HD12 LEU 36 HD12 LEU 36 16.703 -1.347 18.097 821 HD13 LEU 36 HD13 LEU 36 16.567 -2.994 17.417 822 HD21 LEU 36 HD21 LEU 36 16.963 -1.910 14.520 823 HD22 LEU 36 HD22 LEU 36 15.881 -3.236 15.012 824 HD23 LEU 36 HD23 LEU 36 15.234 -1.845 14.128 825 H PHE 37 H PHE 37 15.316 -0.895 20.080 826 HA PHE 37 HA PHE 37 15.464 -3.690 20.963 827 HB2 PHE 37 HB2 PHE 37 16.451 -1.163 22.334 828 HB3 PHE 37 HB3 PHE 37 16.916 -2.823 22.695 829 HD1 PHE 37 HD1 PHE 37 17.938 -4.192 20.633 830 HD2 PHE 37 HD2 PHE 37 17.917 0.105 21.004 831 HE1 PHE 37 HE1 PHE 37 19.819 -4.040 19.021 832 HE2 PHE 37 HE2 PHE 37 19.795 0.251 19.384 833 HZ PHE 37 HZ PHE 37 20.752 -1.817 18.390 834 H ASP 38 H ASP 38 13.009 -1.541 21.132 835 HA ASP 38 HA ASP 38 11.306 -0.991 22.410 836 HB2 ASP 38 HB2 ASP 38 11.031 -3.517 22.513 837 HB3 ASP 38 HB3 ASP 38 11.743 -3.446 24.130 838 H GLU 39 H GLU 39 14.094 -0.240 23.124 839 HA GLU 39 HA GLU 39 13.815 0.634 25.943 840 HB2 GLU 39 HB2 GLU 39 15.969 -0.261 25.211 841 HB3 GLU 39 HB3 GLU 39 16.095 1.001 23.970 842 HG2 GLU 39 HG2 GLU 39 16.190 2.742 25.674 843 HG3 GLU 39 HG3 GLU 39 15.867 1.554 26.947 844 H GLU 40 H GLU 40 13.317 2.693 26.518 845 HA GLU 40 HA GLU 40 12.858 4.719 24.385 846 HB2 GLU 40 HB2 GLU 40 10.732 3.694 25.110 847 HB3 GLU 40 HB3 GLU 40 11.074 4.190 26.773 848 HG2 GLU 40 HG2 GLU 40 11.080 6.565 26.079 849 HG3 GLU 40 HG3 GLU 40 10.832 6.098 24.406 850 H HIS 41 H HIS 41 13.599 6.671 24.717 851 HA HIS 41 HA HIS 41 15.053 7.365 27.237 852 HB2 HIS 41 HB2 HIS 41 15.416 8.430 24.404 853 HB3 HIS 41 HB3 HIS 41 16.418 8.787 25.807 854 HD2 HIS 41 HD2 HIS 41 15.795 6.049 23.182 855 HE1 HIS 41 HE1 HIS 41 19.114 4.729 25.515 856 HE2 HIS 41 HE2 HIS 41 17.716 4.263 23.439 857 H ALA 42 H ALA 42 14.852 9.490 28.065 858 HA ALA 42 HA ALA 42 12.745 11.245 26.940 859 HB1 ALA 42 HB1 ALA 42 11.715 11.552 29.151 860 HB2 ALA 42 HB2 ALA 42 11.606 9.861 28.628 861 HB3 ALA 42 HB3 ALA 42 12.813 10.336 29.843 862 H PHE 43 H PHE 43 13.159 13.346 27.090 863 HA PHE 43 HA PHE 43 15.529 14.328 28.613 864 HB2 PHE 43 HB2 PHE 43 14.930 14.841 25.694 865 HB3 PHE 43 HB3 PHE 43 16.276 15.493 26.634 866 HD1 PHE 43 HD1 PHE 43 17.876 13.742 27.777 867 HD2 PHE 43 HD2 PHE 43 15.246 12.843 24.472 868 HE1 PHE 43 HE1 PHE 43 19.226 11.726 27.231 869 HE2 PHE 43 HE2 PHE 43 16.611 10.854 23.922 870 HZ PHE 43 HZ PHE 43 18.606 10.287 25.306 871 HA PRO 44 HA PRO 44 12.016 17.172 29.369 872 HB2 PRO 44 HB2 PRO 44 12.711 17.967 31.902 873 HB3 PRO 44 HB3 PRO 44 11.834 16.453 31.526 874 HG2 PRO 44 HG2 PRO 44 14.800 16.822 32.023 875 HG3 PRO 44 HG3 PRO 44 13.708 15.551 32.671 876 HD2 PRO 44 HD2 PRO 44 15.337 15.142 30.539 877 HD3 PRO 44 HD3 PRO 44 13.730 14.364 30.668 878 H GLY 45 H GLY 45 11.811 19.350 29.204 879 HA2 GLY 45 HA2 GLY 45 12.411 21.574 28.991 880 HA3 GLY 45 HA3 GLY 45 14.099 21.193 29.324 881 H LEU 46 H LEU 46 13.137 19.060 26.907 882 HA LEU 46 HA LEU 46 14.234 20.822 24.781 883 HB2 LEU 46 HB2 LEU 46 13.906 17.800 24.790 884 HB3 LEU 46 HB3 LEU 46 14.676 18.774 23.539 885 HG LEU 46 HG LEU 46 15.695 18.213 26.338 886 HD11 LEU 46 HD11 LEU 46 16.053 16.549 24.464 887 HD12 LEU 46 HD12 LEU 46 16.952 17.810 23.599 888 HD13 LEU 46 HD13 LEU 46 17.552 17.210 25.154 889 HD21 LEU 46 HD21 LEU 46 16.840 20.158 24.290 890 HD22 LEU 46 HD22 LEU 46 16.260 20.561 25.926 891 HD23 LEU 46 HD23 LEU 46 17.703 19.558 25.728 892 H ALA 47 H ALA 47 13.486 20.631 22.650 893 HA ALA 47 HA ALA 47 10.870 19.437 22.049 894 HB1 ALA 47 HB1 ALA 47 10.306 21.797 22.474 895 HB2 ALA 47 HB2 ALA 47 11.597 22.326 21.368 896 HB3 ALA 47 HB3 ALA 47 10.189 21.445 20.745 897 H ILE 48 H ILE 48 10.655 19.066 19.679 898 HA ILE 48 HA ILE 48 13.191 18.248 18.472 899 HB ILE 48 HB ILE 48 10.377 18.260 17.329 900 HG12 ILE 48 HG12 ILE 48 11.942 15.823 18.273 901 HG13 ILE 48 HG13 ILE 48 10.898 16.717 19.377 902 HG21 ILE 48 HG21 ILE 48 12.957 16.952 16.340 903 HG22 ILE 48 HG22 ILE 48 11.358 16.663 15.634 904 HG23 ILE 48 HG23 ILE 48 12.073 18.263 15.532 905 HD11 ILE 48 HD11 ILE 48 9.967 15.313 16.855 906 HD12 ILE 48 HD12 ILE 48 9.655 14.863 18.536 907 HD13 ILE 48 HD13 ILE 48 8.954 16.353 17.882 908 H GLY 49 H GLY 49 14.526 19.593 17.447 909 HA2 GLY 49 HA2 GLY 49 13.638 22.346 16.797 910 HA3 GLY 49 HA3 GLY 49 15.280 21.769 17.032 911 H ARG 50 H ARG 50 15.299 19.598 15.205 912 HA ARG 50 HA ARG 50 14.681 20.664 12.528 913 HB2 ARG 50 HB2 ARG 50 16.638 21.947 12.993 914 HB3 ARG 50 HB3 ARG 50 17.485 20.566 13.691 915 HG2 ARG 50 HG2 ARG 50 17.750 19.537 11.525 916 HG3 ARG 50 HG3 ARG 50 16.752 20.785 10.743 917 HD2 ARG 50 HD2 ARG 50 18.417 22.497 11.294 918 HD3 ARG 50 HD3 ARG 50 19.368 21.311 12.211 919 HE ARG 50 HE ARG 50 19.072 20.182 9.682 920 HH11 ARG 50 HH11 ARG 50 20.694 23.036 10.933 921 HH12 ARG 50 HH12 ARG 50 21.869 23.029 9.644 922 HH21 ARG 50 HH21 ARG 50 20.491 20.284 8.043 923 HH22 ARG 50 HH22 ARG 50 21.774 21.482 8.035 924 H VAL 51 H VAL 51 14.913 19.196 10.847 925 HA VAL 51 HA VAL 51 15.816 16.431 11.437 926 HB VAL 51 HB VAL 51 13.158 17.008 10.079 927 HG11 VAL 51 HG11 VAL 51 12.831 14.542 10.268 928 HG12 VAL 51 HG12 VAL 51 14.208 14.946 9.241 929 HG13 VAL 51 HG13 VAL 51 14.480 14.392 10.904 930 HG21 VAL 51 HG21 VAL 51 12.086 15.928 12.017 931 HG22 VAL 51 HG22 VAL 51 13.641 15.910 12.877 932 HG23 VAL 51 HG23 VAL 51 12.853 17.448 12.465 933 H ASP 52 H ASP 52 17.050 15.632 9.767 934 HA ASP 52 HA ASP 52 16.725 16.839 7.049 935 HB2 ASP 52 HB2 ASP 52 19.387 16.013 8.223 936 HB3 ASP 52 HB3 ASP 52 19.080 16.571 6.592 937 H LEU 53 H LEU 53 15.946 15.389 5.713 938 HA LEU 53 HA LEU 53 16.051 12.511 6.284 939 HB2 LEU 53 HB2 LEU 53 14.838 14.061 3.954 940 HB3 LEU 53 HB3 LEU 53 14.636 12.357 4.271 941 HG LEU 53 HG LEU 53 12.647 13.372 4.933 942 HD11 LEU 53 HD11 LEU 53 12.420 12.843 7.305 943 HD12 LEU 53 HD12 LEU 53 13.435 11.639 6.490 944 HD13 LEU 53 HD13 LEU 53 14.172 12.899 7.510 945 HD21 LEU 53 HD21 LEU 53 13.491 15.717 5.219 946 HD22 LEU 53 HD22 LEU 53 12.296 15.192 6.405 947 HD23 LEU 53 HD23 LEU 53 13.993 15.286 6.866 948 H ARG 54 H ARG 54 17.818 14.721 4.241 949 HA ARG 54 HA ARG 54 19.089 12.781 2.495 950 HB2 ARG 54 HB2 ARG 54 19.894 15.544 3.492 951 HB3 ARG 54 HB3 ARG 54 20.857 14.634 2.341 952 HG2 ARG 54 HG2 ARG 54 17.965 15.469 1.882 953 HG3 ARG 54 HG3 ARG 54 19.368 16.367 1.310 954 HD2 ARG 54 HD2 ARG 54 18.644 13.520 0.492 955 HD3 ARG 54 HD3 ARG 54 18.343 14.987 -0.454 956 HE ARG 54 HE ARG 54 21.107 14.978 0.105 957 HH11 ARG 54 HH11 ARG 54 18.893 13.018 -1.762 958 HH12 ARG 54 HH12 ARG 54 20.130 12.532 -2.900 959 HH21 ARG 54 HH21 ARG 54 22.635 14.331 -1.362 960 HH22 ARG 54 HH22 ARG 54 22.206 13.249 -2.651 961 H SER 55 H SER 55 19.973 14.074 5.682 962 HA SER 55 HA SER 55 22.347 12.311 5.856 963 HB2 SER 55 HB2 SER 55 22.362 14.668 6.665 964 HB3 SER 55 HB3 SER 55 21.178 14.214 7.911 965 HG SER 55 HG SER 55 22.730 12.773 8.754 966 H GLY 56 H GLY 56 19.022 12.323 7.003 967 HA2 GLY 56 HA2 GLY 56 17.778 10.654 8.014 968 HA3 GLY 56 HA3 GLY 56 19.200 9.605 8.089 969 H VAL 57 H VAL 57 18.437 12.881 9.419 970 HA VAL 57 HA VAL 57 19.060 11.883 12.154 971 HB VAL 57 HB VAL 57 21.116 12.760 11.107 972 HG11 VAL 57 HG11 VAL 57 20.097 14.623 9.817 973 HG12 VAL 57 HG12 VAL 57 19.832 15.509 11.332 974 HG13 VAL 57 HG13 VAL 57 21.482 15.117 10.806 975 HG21 VAL 57 HG21 VAL 57 21.891 13.996 13.020 976 HG22 VAL 57 HG22 VAL 57 20.236 14.412 13.498 977 HG23 VAL 57 HG23 VAL 57 20.800 12.729 13.590 978 H ILE 58 H ILE 58 18.158 12.821 13.817 979 HA ILE 58 HA ILE 58 16.202 15.071 13.478 980 HB ILE 58 HB ILE 58 16.138 12.599 15.236 981 HG12 ILE 58 HG12 ILE 58 14.088 13.616 13.230 982 HG13 ILE 58 HG13 ILE 58 15.321 12.418 12.853 983 HG21 ILE 58 HG21 ILE 58 15.437 14.519 16.628 984 HG22 ILE 58 HG22 ILE 58 14.267 15.000 15.377 985 HG23 ILE 58 HG23 ILE 58 14.072 13.476 16.269 986 HD11 ILE 58 HD11 ILE 58 14.402 10.941 14.652 987 HD12 ILE 58 HD12 ILE 58 13.040 12.089 14.815 988 HD13 ILE 58 HD13 ILE 58 13.309 11.244 13.286 989 H SER 59 H SER 59 16.599 16.823 14.762 990 HA SER 59 HA SER 59 18.764 16.657 16.824 991 HB2 SER 59 HB2 SER 59 19.583 17.652 14.751 992 HB3 SER 59 HB3 SER 59 18.273 18.844 14.807 993 HG SER 59 HG SER 59 20.289 19.607 15.697 994 H LEU 60 H LEU 60 18.252 17.344 18.758 995 HA LEU 60 HA LEU 60 15.648 18.730 19.210 996 HB2 LEU 60 HB2 LEU 60 17.401 17.381 21.261 997 HB3 LEU 60 HB3 LEU 60 15.715 17.861 21.410 998 HG LEU 60 HG LEU 60 16.819 15.577 19.704 999 HD11 LEU 60 HD11 LEU 60 15.527 14.181 21.271 1000 HD12 LEU 60 HD12 LEU 60 16.756 15.125 22.116 1001 HD13 LEU 60 HD13 LEU 60 15.054 15.637 22.184 1002 HD21 LEU 60 HD21 LEU 60 14.420 14.999 19.302 1003 HD22 LEU 60 HD22 LEU 60 13.949 16.554 20.021 1004 HD23 LEU 60 HD23 LEU 60 14.912 16.508 18.523 1005 H ILE 61 H ILE 61 15.449 20.496 20.560 1006 HA ILE 61 HA ILE 61 17.888 22.002 21.359 1007 HB ILE 61 HB ILE 61 16.897 24.095 20.568 1008 HG12 ILE 61 HG12 ILE 61 15.174 23.795 18.595 1009 HG13 ILE 61 HG13 ILE 61 14.672 22.357 19.458 1010 HG21 ILE 61 HG21 ILE 61 17.263 22.103 18.317 1011 HG22 ILE 61 HG22 ILE 61 17.503 23.865 18.254 1012 HG23 ILE 61 HG23 ILE 61 18.566 22.864 19.249 1013 HD11 ILE 61 HD11 ILE 61 14.059 23.750 21.415 1014 HD12 ILE 61 HD12 ILE 61 14.731 25.183 20.623 1015 HD13 ILE 61 HD13 ILE 61 13.305 24.372 19.946 1016 H GLU 62 H GLU 62 17.570 23.531 23.062 1017 HA GLU 62 HA GLU 62 15.606 22.707 25.067 1018 HB2 GLU 62 HB2 GLU 62 17.503 25.080 24.967 1019 HB3 GLU 62 HB3 GLU 62 16.477 24.663 26.345 1020 HG2 GLU 62 HG2 GLU 62 17.638 22.509 26.593 1021 HG3 GLU 62 HG3 GLU 62 18.620 22.847 25.169 1022 H GLU 63 H GLU 63 13.564 23.387 25.303 1023 HA GLU 63 HA GLU 63 12.453 25.210 23.342 1024 HB2 GLU 63 HB2 GLU 63 10.350 24.520 24.115 1025 HB3 GLU 63 HB3 GLU 63 11.391 23.127 24.198 1026 HG2 GLU 63 HG2 GLU 63 10.287 22.914 26.187 1027 HG3 GLU 63 HG3 GLU 63 11.746 23.749 26.711 1028 H GLN 64 H GLN 64 13.809 25.759 26.442 1029 HA GLN 64 HA GLN 64 12.394 28.162 27.115 1030 HB2 GLN 64 HB2 GLN 64 15.020 26.939 28.015 1031 HB3 GLN 64 HB3 GLN 64 14.426 28.434 28.727 1032 HG2 GLN 64 HG2 GLN 64 12.808 25.844 28.753 1033 HG3 GLN 64 HG3 GLN 64 13.922 26.311 30.030 1034 HE21 GLN 64 HE21 GLN 64 10.651 26.540 29.109 1035 HE22 GLN 64 HE22 GLN 64 10.244 27.861 30.209 1036 H ASN 65 H ASN 65 14.031 27.822 24.552 1037 HA ASN 65 HA ASN 65 15.381 30.470 24.403 1038 HB2 ASN 65 HB2 ASN 65 14.943 28.221 22.374 1039 HB3 ASN 65 HB3 ASN 65 15.586 29.793 21.923 1040 HD21 ASN 65 HD21 ASN 65 16.409 26.728 23.271 1041 HD22 ASN 65 HD22 ASN 65 18.086 27.142 23.605 1042 H ARG 66 H ARG 66 12.257 29.318 24.200 1043 HA ARG 66 HA ARG 66 11.129 31.303 22.320 1044 HB2 ARG 66 HB2 ARG 66 9.881 29.231 24.172 1045 HB3 ARG 66 HB3 ARG 66 8.955 30.324 23.138 1046 HG2 ARG 66 HG2 ARG 66 9.891 29.385 21.120 1047 HG3 ARG 66 HG3 ARG 66 11.064 28.412 22.042 1048 HD2 ARG 66 HD2 ARG 66 9.218 27.035 21.222 1049 HD3 ARG 66 HD3 ARG 66 9.304 27.046 22.980 1050 HE ARG 66 HE ARG 66 7.286 28.526 21.289 1051 HH11 ARG 66 HH11 ARG 66 8.018 27.069 24.482 1052 HH12 ARG 66 HH12 ARG 66 6.377 27.452 24.989 1053 HH21 ARG 66 HH21 ARG 66 5.270 28.848 22.183 1054 HH22 ARG 66 HH22 ARG 66 4.993 28.289 23.840 Start of MODEL 20 1 H1 GLY -3 H1 GLY -3 20.592 -2.282 -5.675 2 H2 GLY -3 H2 GLY -3 20.018 -1.678 -4.263 3 H3 GLY -3 H3 GLY -3 21.615 -2.025 -4.415 4 HA2 GLY -3 HA2 GLY -3 21.907 -0.309 -6.068 5 HA3 GLY -3 HA3 GLY -3 20.179 0.069 -5.927 6 HA PRO -2 HA PRO -2 22.741 2.612 -2.876 7 HB2 PRO -2 HB2 PRO -2 22.353 5.113 -3.922 8 HB3 PRO -2 HB3 PRO -2 23.657 4.011 -4.465 9 HG2 PRO -2 HG2 PRO -2 20.915 4.418 -5.719 10 HG3 PRO -2 HG3 PRO -2 22.513 4.436 -6.546 11 HD2 PRO -2 HD2 PRO -2 20.980 2.212 -6.535 12 HD3 PRO -2 HD3 PRO -2 22.750 2.108 -6.362 13 H GLY -1 H GLY -1 21.931 3.934 -1.219 14 HA2 GLY -1 HA2 GLY -1 19.147 4.900 -1.182 15 HA3 GLY -1 HA3 GLY -1 19.444 3.464 -0.203 16 H SER 0 H SER 0 21.933 5.921 -0.569 17 HA SER 0 HA SER 0 22.406 6.080 2.216 18 HB2 SER 0 HB2 SER 0 23.416 7.957 0.053 19 HB3 SER 0 HB3 SER 0 24.162 7.629 1.626 20 HG SER 0 HG SER 0 25.154 6.420 -0.065 21 H MET 1 H MET 1 20.017 7.804 0.566 22 HA MET 1 HA MET 1 19.683 9.730 2.776 23 HB2 MET 1 HB2 MET 1 19.339 11.604 1.280 24 HB3 MET 1 HB3 MET 1 20.981 10.977 1.098 25 HG2 MET 1 HG2 MET 1 20.328 9.811 -0.965 26 HG3 MET 1 HG3 MET 1 18.661 10.358 -0.782 27 HE1 MET 1 HE1 MET 1 17.773 12.740 -1.264 28 HE2 MET 1 HE2 MET 1 18.792 13.439 0.011 29 HE3 MET 1 HE3 MET 1 18.795 14.148 -1.618 30 H CYS 2 H CYS 2 17.525 10.694 2.830 31 HA CYS 2 HA CYS 2 15.396 9.217 1.364 32 HB2 CYS 2 HB2 CYS 2 16.103 8.049 3.504 33 HB3 CYS 2 HB3 CYS 2 15.510 9.456 4.397 34 HG CYS 2 HG CYS 2 13.799 7.423 4.516 35 H MET 3 H MET 3 13.192 10.131 2.111 36 HA MET 3 HA MET 3 13.202 12.995 2.842 37 HB2 MET 3 HB2 MET 3 11.772 11.923 0.366 38 HB3 MET 3 HB3 MET 3 11.458 13.463 1.152 39 HG2 MET 3 HG2 MET 3 12.793 14.048 -0.627 40 HG3 MET 3 HG3 MET 3 13.844 14.114 0.767 41 HE1 MET 3 HE1 MET 3 13.974 11.017 -2.646 42 HE2 MET 3 HE2 MET 3 12.872 10.742 -1.274 43 HE3 MET 3 HE3 MET 3 12.679 12.187 -2.297 44 H ALA 4 H ALA 4 11.277 13.703 3.793 45 HA ALA 4 HA ALA 4 9.516 11.538 4.883 46 HB1 ALA 4 HB1 ALA 4 10.710 12.782 6.586 47 HB2 ALA 4 HB2 ALA 4 10.177 14.340 5.882 48 HB3 ALA 4 HB3 ALA 4 9.010 13.237 6.643 49 H LYS 5 H LYS 5 7.345 11.980 5.239 50 HA LYS 5 HA LYS 5 5.989 14.041 3.538 51 HB2 LYS 5 HB2 LYS 5 4.938 11.912 3.292 52 HB3 LYS 5 HB3 LYS 5 4.937 11.611 5.039 53 HG2 LYS 5 HG2 LYS 5 3.297 13.359 5.424 54 HG3 LYS 5 HG3 LYS 5 3.400 13.888 3.733 55 HD2 LYS 5 HD2 LYS 5 2.408 11.830 2.955 56 HD3 LYS 5 HD3 LYS 5 2.464 11.107 4.586 57 HE2 LYS 5 HE2 LYS 5 0.847 12.656 5.446 58 HE3 LYS 5 HE3 LYS 5 1.020 13.709 4.045 59 HZ1 LYS 5 HZ1 LYS 5 -0.278 11.030 4.081 60 HZ2 LYS 5 HZ2 LYS 5 -0.993 12.490 3.790 61 HZ3 LYS 5 HZ3 LYS 5 0.033 11.865 2.699 62 H VAL 6 H VAL 6 5.444 15.917 4.515 63 HA VAL 6 HA VAL 6 5.390 16.032 7.511 64 HB VAL 6 HB VAL 6 5.884 18.274 5.545 65 HG11 VAL 6 HG11 VAL 6 4.591 19.165 7.437 66 HG12 VAL 6 HG12 VAL 6 5.700 18.367 8.575 67 HG13 VAL 6 HG13 VAL 6 6.273 19.688 7.532 68 HG21 VAL 6 HG21 VAL 6 7.688 17.096 7.687 69 HG22 VAL 6 HG22 VAL 6 7.841 16.786 5.960 70 HG23 VAL 6 HG23 VAL 6 8.074 18.421 6.574 71 H VAL 7 H VAL 7 3.512 16.603 8.540 72 HA VAL 7 HA VAL 7 1.202 17.585 6.929 73 HB VAL 7 HB VAL 7 0.846 15.240 7.053 74 HG11 VAL 7 HG11 VAL 7 1.102 15.408 10.083 75 HG12 VAL 7 HG12 VAL 7 0.561 13.997 9.161 76 HG13 VAL 7 HG13 VAL 7 2.219 14.578 8.976 77 HG21 VAL 7 HG21 VAL 7 -0.952 16.478 9.185 78 HG22 VAL 7 HG22 VAL 7 -1.126 16.796 7.456 79 HG23 VAL 7 HG23 VAL 7 -1.330 15.147 8.083 80 H LEU 8 H LEU 8 -0.131 18.997 7.842 81 HA LEU 8 HA LEU 8 0.046 19.696 10.702 82 HB2 LEU 8 HB2 LEU 8 0.620 22.001 10.307 83 HB3 LEU 8 HB3 LEU 8 1.824 20.972 9.565 84 HG LEU 8 HG LEU 8 0.292 21.356 7.390 85 HD11 LEU 8 HD11 LEU 8 -1.395 22.825 8.410 86 HD12 LEU 8 HD12 LEU 8 -0.120 23.898 9.035 87 HD13 LEU 8 HD13 LEU 8 -0.406 23.757 7.289 88 HD21 LEU 8 HD21 LEU 8 2.330 23.359 8.424 89 HD22 LEU 8 HD22 LEU 8 2.689 21.849 7.549 90 HD23 LEU 8 HD23 LEU 8 1.824 23.155 6.734 91 H THR 9 H THR 9 -1.625 21.253 11.331 92 HA THR 9 HA THR 9 -3.947 21.455 9.447 93 HB THR 9 HB THR 9 -4.233 21.138 12.448 94 HG1 THR 9 HG1 THR 9 -3.539 19.203 11.567 95 HG21 THR 9 HG21 THR 9 -6.101 22.326 11.338 96 HG22 THR 9 HG22 THR 9 -6.221 21.025 10.131 97 HG23 THR 9 HG23 THR 9 -6.610 20.703 11.837 98 H LYS 10 H LYS 10 -4.658 23.418 9.074 99 HA LYS 10 HA LYS 10 -3.284 25.770 10.148 100 HB2 LYS 10 HB2 LYS 10 -5.653 25.464 8.247 101 HB3 LYS 10 HB3 LYS 10 -4.800 26.972 8.568 102 HG2 LYS 10 HG2 LYS 10 -2.681 25.999 7.735 103 HG3 LYS 10 HG3 LYS 10 -3.514 24.490 7.350 104 HD2 LYS 10 HD2 LYS 10 -4.205 27.198 6.136 105 HD3 LYS 10 HD3 LYS 10 -3.162 25.981 5.383 106 HE2 LYS 10 HE2 LYS 10 -5.032 24.352 5.403 107 HE3 LYS 10 HE3 LYS 10 -6.094 25.568 6.134 108 HZ1 LYS 10 HZ1 LYS 10 -4.802 25.832 3.478 109 HZ2 LYS 10 HZ2 LYS 10 -6.371 25.461 3.726 110 HZ3 LYS 10 HZ3 LYS 10 -5.807 26.933 4.155 111 H ALA 11 H ALA 11 -4.464 27.693 10.924 112 HA ALA 11 HA ALA 11 -6.015 27.225 13.264 113 HB1 ALA 11 HB1 ALA 11 -5.643 29.747 11.587 114 HB2 ALA 11 HB2 ALA 11 -6.255 29.685 13.254 115 HB3 ALA 11 HB3 ALA 11 -4.582 29.190 12.911 116 H ASP 12 H ASP 12 -7.064 27.657 9.931 117 HA ASP 12 HA ASP 12 -9.897 28.020 10.562 118 HB2 ASP 12 HB2 ASP 12 -8.478 27.362 7.963 119 HB3 ASP 12 HB3 ASP 12 -10.185 27.774 8.111 120 H GLY 13 H GLY 13 -7.975 25.324 10.915 121 HA2 GLY 13 HA2 GLY 13 -8.614 23.201 11.547 122 HA3 GLY 13 HA3 GLY 13 -10.264 23.500 10.991 123 H GLY 14 H GLY 14 -8.301 24.288 8.402 124 HA2 GLY 14 HA2 GLY 14 -8.757 21.715 7.022 125 HA3 GLY 14 HA3 GLY 14 -8.172 23.211 6.298 126 H ARG 15 H ARG 15 -7.136 20.288 6.379 127 HA ARG 15 HA ARG 15 -4.477 20.570 7.620 128 HB2 ARG 15 HB2 ARG 15 -5.531 18.332 5.858 129 HB3 ARG 15 HB3 ARG 15 -4.003 18.359 6.745 130 HG2 ARG 15 HG2 ARG 15 -5.494 18.749 8.875 131 HG3 ARG 15 HG3 ARG 15 -6.797 18.122 7.855 132 HD2 ARG 15 HD2 ARG 15 -4.186 16.753 8.610 133 HD3 ARG 15 HD3 ARG 15 -5.792 16.295 9.145 134 HE ARG 15 HE ARG 15 -4.503 15.713 6.540 135 HH11 ARG 15 HH11 ARG 15 -7.627 15.634 8.172 136 HH12 ARG 15 HH12 ARG 15 -8.250 14.476 7.019 137 HH21 ARG 15 HH21 ARG 15 -5.314 14.404 5.191 138 HH22 ARG 15 HH22 ARG 15 -6.964 13.785 5.313 139 H VAL 16 H VAL 16 -2.526 20.317 6.582 140 HA VAL 16 HA VAL 16 -2.382 20.616 3.632 141 HB VAL 16 HB VAL 16 -0.624 22.193 5.539 142 HG11 VAL 16 HG11 VAL 16 -0.532 21.996 2.497 143 HG12 VAL 16 HG12 VAL 16 0.404 23.136 3.484 144 HG13 VAL 16 HG13 VAL 16 0.709 21.406 3.628 145 HG21 VAL 16 HG21 VAL 16 -2.668 23.130 3.497 146 HG22 VAL 16 HG22 VAL 16 -2.773 23.292 5.262 147 HG23 VAL 16 HG23 VAL 16 -1.530 24.182 4.370 148 H GLU 17 H GLU 17 -1.030 19.182 2.736 149 HA GLU 17 HA GLU 17 0.771 17.531 4.452 150 HB2 GLU 17 HB2 GLU 17 -1.314 16.539 2.481 151 HB3 GLU 17 HB3 GLU 17 0.006 15.539 3.112 152 HG2 GLU 17 HG2 GLU 17 -0.782 15.809 5.376 153 HG3 GLU 17 HG3 GLU 17 -2.042 16.947 4.893 154 H ILE 18 H ILE 18 2.729 17.202 3.638 155 HA ILE 18 HA ILE 18 3.340 18.117 0.847 156 HB ILE 18 HB ILE 18 4.946 18.771 3.345 157 HG12 ILE 18 HG12 ILE 18 3.031 20.590 1.807 158 HG13 ILE 18 HG13 ILE 18 2.781 19.972 3.443 159 HG21 ILE 18 HG21 ILE 18 6.213 20.255 1.872 160 HG22 ILE 18 HG22 ILE 18 6.216 18.640 1.187 161 HG23 ILE 18 HG23 ILE 18 5.141 19.880 0.507 162 HD11 ILE 18 HD11 ILE 18 4.883 21.977 2.597 163 HD12 ILE 18 HD12 ILE 18 3.515 22.184 3.687 164 HD13 ILE 18 HD13 ILE 18 4.867 21.152 4.187 165 H GLY 19 H GLY 19 4.076 16.397 -0.219 166 HA2 GLY 19 HA2 GLY 19 5.558 14.215 1.071 167 HA3 GLY 19 HA3 GLY 19 5.085 14.324 -0.614 168 H ASP 20 H ASP 20 7.545 13.410 0.186 169 HA ASP 20 HA ASP 20 9.748 13.517 -0.258 170 HB2 ASP 20 HB2 ASP 20 8.903 15.270 -2.556 171 HB3 ASP 20 HB3 ASP 20 10.362 14.296 -2.419 172 H VAL 21 H VAL 21 9.185 15.256 1.830 173 HA VAL 21 HA VAL 21 10.741 17.725 1.515 174 HB VAL 21 HB VAL 21 9.618 16.316 3.956 175 HG11 VAL 21 HG11 VAL 21 11.024 19.008 3.748 176 HG12 VAL 21 HG12 VAL 21 10.058 18.473 5.143 177 HG13 VAL 21 HG13 VAL 21 11.529 17.603 4.735 178 HG21 VAL 21 HG21 VAL 21 8.789 18.840 2.454 179 HG22 VAL 21 HG22 VAL 21 7.915 17.289 2.454 180 HG23 VAL 21 HG23 VAL 21 8.029 18.236 3.934 181 H LEU 22 H LEU 22 12.883 17.823 1.454 182 HA LEU 22 HA LEU 22 14.650 15.584 2.151 183 HB2 LEU 22 HB2 LEU 22 15.029 18.453 1.193 184 HB3 LEU 22 HB3 LEU 22 16.393 17.420 1.585 185 HG LEU 22 HG LEU 22 14.327 16.590 -0.489 186 HD11 LEU 22 HD11 LEU 22 15.976 17.432 -2.177 187 HD12 LEU 22 HD12 LEU 22 15.294 18.743 -1.202 188 HD13 LEU 22 HD13 LEU 22 16.934 18.156 -0.875 189 HD21 LEU 22 HD21 LEU 22 15.931 14.843 0.453 190 HD22 LEU 22 HD22 LEU 22 16.136 15.139 -1.282 191 HD23 LEU 22 HD23 LEU 22 17.273 15.840 -0.107 192 H GLU 23 H GLU 23 13.761 18.720 3.557 193 HA GLU 23 HA GLU 23 14.795 17.931 6.188 194 HB2 GLU 23 HB2 GLU 23 16.793 18.897 5.080 195 HB3 GLU 23 HB3 GLU 23 15.897 20.390 4.761 196 HG2 GLU 23 HG2 GLU 23 15.640 20.753 7.193 197 HG3 GLU 23 HG3 GLU 23 16.496 19.244 7.524 198 H VAL 24 H VAL 24 13.821 18.975 7.865 199 HA VAL 24 HA VAL 24 11.988 21.249 7.356 200 HB VAL 24 HB VAL 24 10.593 19.301 7.337 201 HG11 VAL 24 HG11 VAL 24 11.926 17.683 8.528 202 HG12 VAL 24 HG12 VAL 24 11.647 18.535 10.065 203 HG13 VAL 24 HG13 VAL 24 10.295 17.796 9.184 204 HG21 VAL 24 HG21 VAL 24 10.233 20.629 10.053 205 HG22 VAL 24 HG22 VAL 24 9.753 21.364 8.506 206 HG23 VAL 24 HG23 VAL 24 8.984 19.863 9.043 207 H ARG 25 H ARG 25 12.012 22.799 8.908 208 HA ARG 25 HA ARG 25 13.658 22.408 11.389 209 HB2 ARG 25 HB2 ARG 25 13.767 24.834 9.557 210 HB3 ARG 25 HB3 ARG 25 14.700 24.573 11.024 211 HG2 ARG 25 HG2 ARG 25 15.852 22.633 9.907 212 HG3 ARG 25 HG3 ARG 25 14.982 23.026 8.411 213 HD2 ARG 25 HD2 ARG 25 15.960 25.313 8.468 214 HD3 ARG 25 HD3 ARG 25 16.893 24.873 9.917 215 HE ARG 25 HE ARG 25 17.621 22.904 8.158 216 HH11 ARG 25 HH11 ARG 25 17.808 26.394 7.950 217 HH12 ARG 25 HH12 ARG 25 19.036 26.343 6.706 218 HH21 ARG 25 HH21 ARG 25 18.972 22.900 6.437 219 HH22 ARG 25 HH22 ARG 25 19.738 24.396 5.925 220 H ALA 26 H ALA 26 12.919 23.362 13.207 221 HA ALA 26 HA ALA 26 10.546 25.168 13.102 222 HB1 ALA 26 HB1 ALA 26 10.385 23.305 14.689 223 HB2 ALA 26 HB2 ALA 26 11.942 23.767 15.420 224 HB3 ALA 26 HB3 ALA 26 10.541 24.850 15.556 225 H GLU 27 H GLU 27 11.099 27.249 12.790 226 HA GLU 27 HA GLU 27 13.571 28.402 13.989 227 HB2 GLU 27 HB2 GLU 27 14.250 27.266 11.923 228 HB3 GLU 27 HB3 GLU 27 13.055 28.192 11.001 229 HG2 GLU 27 HG2 GLU 27 14.240 30.298 11.639 230 HG3 GLU 27 HG3 GLU 27 15.433 29.340 12.515 231 H GLY 28 H GLY 28 13.129 30.375 14.766 232 HA2 GLY 28 HA2 GLY 28 12.361 32.514 14.968 233 HA3 GLY 28 HA3 GLY 28 12.090 32.506 13.223 234 H GLY 29 H GLY 29 10.407 30.404 15.563 235 HA2 GLY 29 HA2 GLY 29 8.223 30.374 16.321 236 HA3 GLY 29 HA3 GLY 29 7.960 31.992 15.666 237 H ALA 30 H ALA 30 9.149 29.638 13.413 238 HA ALA 30 HA ALA 30 6.456 28.817 12.481 239 HB1 ALA 30 HB1 ALA 30 8.599 30.079 10.706 240 HB2 ALA 30 HB2 ALA 30 7.036 29.451 10.165 241 HB3 ALA 30 HB3 ALA 30 7.095 30.879 11.215 242 H VAL 31 H VAL 31 6.465 26.873 11.254 243 HA VAL 31 HA VAL 31 9.057 25.372 11.233 244 HB VAL 31 HB VAL 31 6.287 24.290 10.767 245 HG11 VAL 31 HG11 VAL 31 7.775 23.067 9.286 246 HG12 VAL 31 HG12 VAL 31 9.039 22.979 10.529 247 HG13 VAL 31 HG13 VAL 31 7.556 22.068 10.731 248 HG21 VAL 31 HG21 VAL 31 8.422 23.701 12.888 249 HG22 VAL 31 HG22 VAL 31 6.996 24.721 13.136 250 HG23 VAL 31 HG23 VAL 31 6.789 22.996 12.803 251 H ARG 32 H ARG 32 10.089 24.856 9.418 252 HA ARG 32 HA ARG 32 9.118 25.983 6.819 253 HB2 ARG 32 HB2 ARG 32 11.954 26.221 7.914 254 HB3 ARG 32 HB3 ARG 32 11.278 27.003 6.476 255 HG2 ARG 32 HG2 ARG 32 9.717 28.303 8.005 256 HG3 ARG 32 HG3 ARG 32 10.534 27.568 9.387 257 HD2 ARG 32 HD2 ARG 32 12.695 28.542 8.568 258 HD3 ARG 32 HD3 ARG 32 11.764 29.434 7.352 259 HE ARG 32 HE ARG 32 11.346 29.655 10.340 260 HH11 ARG 32 HH11 ARG 32 11.495 31.356 7.276 261 HH12 ARG 32 HH12 ARG 32 11.076 32.880 8.027 262 HH21 ARG 32 HH21 ARG 32 10.871 31.517 11.194 263 HH22 ARG 32 HH22 ARG 32 10.752 32.981 10.223 264 H VAL 33 H VAL 33 9.674 24.861 4.979 265 HA VAL 33 HA VAL 33 11.138 22.268 5.318 266 HB VAL 33 HB VAL 33 9.483 21.174 3.852 267 HG11 VAL 33 HG11 VAL 33 9.347 20.854 6.255 268 HG12 VAL 33 HG12 VAL 33 8.273 22.268 6.420 269 HG13 VAL 33 HG13 VAL 33 7.741 20.836 5.516 270 HG21 VAL 33 HG21 VAL 33 8.462 23.172 2.781 271 HG22 VAL 33 HG22 VAL 33 7.257 22.115 3.523 272 HG23 VAL 33 HG23 VAL 33 7.711 23.605 4.341 273 H THR 34 H THR 34 12.187 21.409 3.572 274 HA THR 34 HA THR 34 12.143 22.932 0.992 275 HB THR 34 HB THR 34 14.578 21.554 2.185 276 HG1 THR 34 HG1 THR 34 14.165 23.505 3.203 277 HG21 THR 34 HG21 THR 34 14.627 21.461 -0.250 278 HG22 THR 34 HG22 THR 34 14.208 23.193 -0.364 279 HG23 THR 34 HG23 THR 34 15.774 22.693 0.308 280 H THR 35 H THR 35 11.526 21.729 -0.689 281 HA THR 35 HA THR 35 11.200 18.792 -0.326 282 HB THR 35 HB THR 35 9.702 18.849 -2.192 283 HG1 THR 35 HG1 THR 35 10.173 21.624 -2.318 284 HG21 THR 35 HG21 THR 35 9.010 21.154 -0.332 285 HG22 THR 35 HG22 THR 35 7.901 20.216 -1.350 286 HG23 THR 35 HG23 THR 35 8.743 19.422 -0.012 287 H LEU 36 H LEU 36 11.662 17.303 -1.969 288 HA LEU 36 HA LEU 36 14.075 17.320 -3.408 289 HB2 LEU 36 HB2 LEU 36 12.887 15.348 -2.871 290 HB3 LEU 36 HB3 LEU 36 11.420 15.886 -3.659 291 HG LEU 36 HG LEU 36 13.826 15.527 -5.433 292 HD11 LEU 36 HD11 LEU 36 12.199 13.212 -4.307 293 HD12 LEU 36 HD12 LEU 36 13.393 13.123 -5.628 294 HD13 LEU 36 HD13 LEU 36 13.934 13.535 -3.995 295 HD21 LEU 36 HD21 LEU 36 10.864 14.762 -5.670 296 HD22 LEU 36 HD22 LEU 36 11.592 16.230 -6.349 297 HD23 LEU 36 HD23 LEU 36 12.079 14.652 -6.967 298 H PHE 37 H PHE 37 10.974 18.746 -4.328 299 HA PHE 37 HA PHE 37 11.661 19.197 -7.117 300 HB2 PHE 37 HB2 PHE 37 9.461 20.476 -5.469 301 HB3 PHE 37 HB3 PHE 37 9.525 20.286 -7.214 302 HD1 PHE 37 HD1 PHE 37 8.283 18.901 -4.191 303 HD2 PHE 37 HD2 PHE 37 9.681 17.788 -8.108 304 HE1 PHE 37 HE1 PHE 37 7.093 16.725 -3.989 305 HE2 PHE 37 HE2 PHE 37 8.495 15.619 -7.925 306 HZ PHE 37 HZ PHE 37 7.192 15.087 -5.865 307 H ASP 38 H ASP 38 13.046 20.537 -4.542 308 HA ASP 38 HA ASP 38 14.080 22.335 -3.885 309 HB2 ASP 38 HB2 ASP 38 15.299 23.728 -5.336 310 HB3 ASP 38 HB3 ASP 38 15.347 22.070 -5.893 311 H GLU 39 H GLU 39 11.049 22.466 -4.334 312 HA GLU 39 HA GLU 39 10.534 25.362 -4.022 313 HB2 GLU 39 HB2 GLU 39 8.947 23.866 -5.212 314 HB3 GLU 39 HB3 GLU 39 8.671 22.974 -3.713 315 HG2 GLU 39 HG2 GLU 39 7.773 25.004 -2.641 316 HG3 GLU 39 HG3 GLU 39 8.193 25.965 -4.060 317 H GLU 40 H GLU 40 9.961 26.350 -2.106 318 HA GLU 40 HA GLU 40 10.350 24.869 0.452 319 HB2 GLU 40 HB2 GLU 40 11.405 27.620 -0.267 320 HB3 GLU 40 HB3 GLU 40 11.408 26.928 1.364 321 HG2 GLU 40 HG2 GLU 40 12.883 25.123 0.675 322 HG3 GLU 40 HG3 GLU 40 12.814 25.640 -1.008 323 H HIS 41 H HIS 41 9.194 25.569 2.216 324 HA HIS 41 HA HIS 41 7.081 27.641 1.908 325 HB2 HIS 41 HB2 HIS 41 6.489 24.738 2.638 326 HB3 HIS 41 HB3 HIS 41 5.358 26.072 2.805 327 HD2 HIS 41 HD2 HIS 41 6.644 23.597 0.250 328 HE1 HIS 41 HE1 HIS 41 4.070 26.243 -1.883 329 HE2 HIS 41 HE2 HIS 41 5.401 24.089 -2.033 330 H ALA 42 H ALA 42 6.096 28.238 3.924 331 HA ALA 42 HA ALA 42 7.401 27.400 6.418 332 HB1 ALA 42 HB1 ALA 42 7.903 29.716 7.076 333 HB2 ALA 42 HB2 ALA 42 8.813 29.265 5.627 334 HB3 ALA 42 HB3 ALA 42 7.368 30.296 5.485 335 H PHE 43 H PHE 43 6.185 27.607 8.208 336 HA PHE 43 HA PHE 43 3.336 28.481 7.956 337 HB2 PHE 43 HB2 PHE 43 4.397 25.863 9.034 338 HB3 PHE 43 HB3 PHE 43 2.709 26.376 9.011 339 HD1 PHE 43 HD1 PHE 43 1.565 26.744 6.766 340 HD2 PHE 43 HD2 PHE 43 5.429 24.863 7.119 341 HE1 PHE 43 HE1 PHE 43 1.353 25.875 4.449 342 HE2 PHE 43 HE2 PHE 43 5.214 23.991 4.804 343 HZ PHE 43 HZ PHE 43 3.180 24.499 3.466 344 HA PRO 44 HA PRO 44 4.971 30.415 11.757 345 HB2 PRO 44 HB2 PRO 44 2.482 32.046 11.327 346 HB3 PRO 44 HB3 PRO 44 4.104 32.576 11.851 347 HG2 PRO 44 HG2 PRO 44 3.340 32.927 9.270 348 HG3 PRO 44 HG3 PRO 44 4.985 32.296 9.622 349 HD2 PRO 44 HD2 PRO 44 2.487 30.742 8.874 350 HD3 PRO 44 HD3 PRO 44 4.136 30.615 8.199 351 H GLY 45 H GLY 45 4.477 30.264 13.879 352 HA2 GLY 45 HA2 GLY 45 3.264 29.927 15.825 353 HA3 GLY 45 HA3 GLY 45 1.796 29.642 14.893 354 H LEU 46 H LEU 46 4.233 27.651 13.669 355 HA LEU 46 HA LEU 46 3.276 25.316 15.253 356 HB2 LEU 46 HB2 LEU 46 4.585 25.396 12.522 357 HB3 LEU 46 HB3 LEU 46 4.029 23.940 13.358 358 HG LEU 46 HG LEU 46 2.295 26.195 12.253 359 HD11 LEU 46 HD11 LEU 46 1.512 24.486 10.728 360 HD12 LEU 46 HD12 LEU 46 3.279 24.532 10.644 361 HD13 LEU 46 HD13 LEU 46 2.473 23.237 11.543 362 HD21 LEU 46 HD21 LEU 46 0.366 24.762 12.857 363 HD22 LEU 46 HD22 LEU 46 1.448 23.672 13.755 364 HD23 LEU 46 HD23 LEU 46 1.201 25.356 14.290 365 H ALA 47 H ALA 47 4.676 23.609 15.683 366 HA ALA 47 HA ALA 47 7.587 23.946 15.490 367 HB1 ALA 47 HB1 ALA 47 6.162 23.174 18.074 368 HB2 ALA 47 HB2 ALA 47 7.918 23.154 17.803 369 HB3 ALA 47 HB3 ALA 47 7.049 24.701 17.780 370 H ILE 48 H ILE 48 8.682 21.790 15.620 371 HA ILE 48 HA ILE 48 7.164 19.756 14.195 372 HB ILE 48 HB ILE 48 9.969 19.702 15.338 373 HG12 ILE 48 HG12 ILE 48 9.197 19.852 12.401 374 HG13 ILE 48 HG13 ILE 48 9.380 21.317 13.358 375 HG21 ILE 48 HG21 ILE 48 8.533 17.731 13.508 376 HG22 ILE 48 HG22 ILE 48 10.270 17.686 13.828 377 HG23 ILE 48 HG23 ILE 48 9.136 17.394 15.150 378 HD11 ILE 48 HD11 ILE 48 11.560 19.262 12.838 379 HD12 ILE 48 HD12 ILE 48 11.441 20.892 12.177 380 HD13 ILE 48 HD13 ILE 48 11.722 20.668 13.917 381 H GLY 49 H GLY 49 5.869 18.281 15.056 382 HA2 GLY 49 HA2 GLY 49 5.605 18.114 17.978 383 HA3 GLY 49 HA3 GLY 49 4.474 17.522 16.749 384 H ARG 50 H ARG 50 5.575 15.692 15.317 385 HA ARG 50 HA ARG 50 7.259 13.869 16.892 386 HB2 ARG 50 HB2 ARG 50 5.762 12.003 16.950 387 HB3 ARG 50 HB3 ARG 50 5.044 13.373 17.802 388 HG2 ARG 50 HG2 ARG 50 3.550 13.841 15.965 389 HG3 ARG 50 HG3 ARG 50 4.276 12.556 14.971 390 HD2 ARG 50 HD2 ARG 50 2.828 12.192 17.625 391 HD3 ARG 50 HD3 ARG 50 2.119 11.921 16.037 392 HE ARG 50 HE ARG 50 3.971 10.171 15.696 393 HH11 ARG 50 HH11 ARG 50 2.627 10.725 18.906 394 HH12 ARG 50 HH12 ARG 50 3.040 9.114 19.434 395 HH21 ARG 50 HH21 ARG 50 4.373 8.147 16.418 396 HH22 ARG 50 HH22 ARG 50 4.062 7.730 18.095 397 H VAL 51 H VAL 51 7.980 12.054 15.894 398 HA VAL 51 HA VAL 51 8.001 12.052 12.891 399 HB VAL 51 HB VAL 51 10.400 11.448 14.667 400 HG11 VAL 51 HG11 VAL 51 10.452 10.363 12.447 401 HG12 VAL 51 HG12 VAL 51 10.125 11.921 11.666 402 HG13 VAL 51 HG13 VAL 51 11.648 11.666 12.532 403 HG21 VAL 51 HG21 VAL 51 9.951 13.822 14.946 404 HG22 VAL 51 HG22 VAL 51 11.357 13.594 13.922 405 HG23 VAL 51 HG23 VAL 51 9.798 14.041 13.188 406 H ASP 52 H ASP 52 7.439 10.127 12.060 407 HA ASP 52 HA ASP 52 7.653 7.637 13.733 408 HB2 ASP 52 HB2 ASP 52 5.413 8.564 11.881 409 HB3 ASP 52 HB3 ASP 52 5.588 6.914 12.489 410 H LEU 53 H LEU 53 9.576 6.892 12.882 411 HA LEU 53 HA LEU 53 10.137 6.904 10.038 412 HB2 LEU 53 HB2 LEU 53 11.512 5.377 12.284 413 HB3 LEU 53 HB3 LEU 53 12.088 5.577 10.637 414 HG LEU 53 HG LEU 53 13.387 7.022 11.852 415 HD11 LEU 53 HD11 LEU 53 12.490 8.051 9.806 416 HD12 LEU 53 HD12 LEU 53 11.199 8.825 10.758 417 HD13 LEU 53 HD13 LEU 53 12.886 9.263 11.038 418 HD21 LEU 53 HD21 LEU 53 12.197 7.116 13.959 419 HD22 LEU 53 HD22 LEU 53 12.694 8.718 13.426 420 HD23 LEU 53 HD23 LEU 53 10.998 8.236 13.272 421 H ARG 54 H ARG 54 8.192 4.874 11.890 422 HA ARG 54 HA ARG 54 8.213 2.399 10.400 423 HB2 ARG 54 HB2 ARG 54 5.983 3.892 11.863 424 HB3 ARG 54 HB3 ARG 54 5.841 2.250 11.233 425 HG2 ARG 54 HG2 ARG 54 7.611 1.434 12.690 426 HG3 ARG 54 HG3 ARG 54 7.929 3.066 13.294 427 HD2 ARG 54 HD2 ARG 54 5.247 1.693 13.601 428 HD3 ARG 54 HD3 ARG 54 6.546 1.574 14.792 429 HE ARG 54 HE ARG 54 5.230 4.156 13.979 430 HH11 ARG 54 HH11 ARG 54 5.107 5.799 15.531 431 HH12 ARG 54 HH12 ARG 54 5.579 5.377 17.166 432 HH21 ARG 54 HH21 ARG 54 6.617 2.258 16.628 433 HH22 ARG 54 HH22 ARG 54 6.398 3.606 17.727 434 H SER 55 H SER 55 6.889 5.555 9.651 435 HA SER 55 HA SER 55 5.893 4.549 7.000 436 HB2 SER 55 HB2 SER 55 4.521 6.570 8.799 437 HB3 SER 55 HB3 SER 55 3.951 6.018 7.219 438 HG SER 55 HG SER 55 3.621 3.958 8.060 439 H GLY 56 H GLY 56 7.939 6.795 8.546 440 HA2 GLY 56 HA2 GLY 56 9.278 8.467 7.669 441 HA3 GLY 56 HA3 GLY 56 8.579 8.194 6.072 442 H VAL 57 H VAL 57 6.482 8.876 8.825 443 HA VAL 57 HA VAL 57 5.686 11.447 7.553 444 HB VAL 57 HB VAL 57 4.146 9.764 9.548 445 HG11 VAL 57 HG11 VAL 57 3.342 12.263 7.983 446 HG12 VAL 57 HG12 VAL 57 2.234 11.251 8.925 447 HG13 VAL 57 HG13 VAL 57 3.501 12.136 9.755 448 HG21 VAL 57 HG21 VAL 57 2.646 9.308 7.635 449 HG22 VAL 57 HG22 VAL 57 3.712 10.233 6.567 450 HG23 VAL 57 HG23 VAL 57 4.270 8.717 7.282 451 H ILE 58 H ILE 58 5.787 13.315 8.513 452 HA ILE 58 HA ILE 58 6.716 13.616 11.343 453 HB ILE 58 HB ILE 58 7.374 15.157 8.816 454 HG12 ILE 58 HG12 ILE 58 9.099 13.855 10.957 455 HG13 ILE 58 HG13 ILE 58 8.745 13.168 9.372 456 HG21 ILE 58 HG21 ILE 58 8.549 16.836 10.251 457 HG22 ILE 58 HG22 ILE 58 6.816 16.885 10.455 458 HG23 ILE 58 HG23 ILE 58 7.823 16.074 11.689 459 HD11 ILE 58 HD11 ILE 58 9.846 15.252 8.354 460 HD12 ILE 58 HD12 ILE 58 10.444 15.587 10.005 461 HD13 ILE 58 HD13 ILE 58 10.905 14.088 9.185 462 H SER 59 H SER 59 5.191 14.437 12.603 463 HA SER 59 HA SER 59 2.904 15.968 11.403 464 HB2 SER 59 HB2 SER 59 2.409 13.863 12.698 465 HB3 SER 59 HB3 SER 59 3.048 14.692 14.124 466 HG SER 59 HG SER 59 0.759 14.895 13.882 467 H LEU 60 H LEU 60 2.671 18.052 11.802 468 HA LEU 60 HA LEU 60 4.408 19.404 13.806 469 HB2 LEU 60 HB2 LEU 60 2.714 20.667 11.655 470 HB3 LEU 60 HB3 LEU 60 3.979 21.425 12.627 471 HG LEU 60 HG LEU 60 4.352 19.352 10.413 472 HD11 LEU 60 HD11 LEU 60 3.912 21.625 9.626 473 HD12 LEU 60 HD12 LEU 60 5.138 22.275 10.717 474 HD13 LEU 60 HD13 LEU 60 5.606 21.235 9.358 475 HD21 LEU 60 HD21 LEU 60 6.433 20.620 12.249 476 HD22 LEU 60 HD22 LEU 60 6.040 18.890 12.129 477 HD23 LEU 60 HD23 LEU 60 6.809 19.713 10.763 478 H ILE 61 H ILE 61 3.627 20.854 15.272 479 HA ILE 61 HA ILE 61 0.706 20.923 15.883 480 HB ILE 61 HB ILE 61 1.212 20.550 18.282 481 HG12 ILE 61 HG12 ILE 61 3.304 19.075 18.730 482 HG13 ILE 61 HG13 ILE 61 4.007 19.841 17.306 483 HG21 ILE 61 HG21 ILE 61 0.280 18.791 16.808 484 HG22 ILE 61 HG22 ILE 61 1.922 18.177 16.523 485 HG23 ILE 61 HG23 ILE 61 1.215 18.150 18.157 486 HD11 ILE 61 HD11 ILE 61 4.691 20.861 19.454 487 HD12 ILE 61 HD12 ILE 61 3.904 22.019 18.396 488 HD13 ILE 61 HD13 ILE 61 3.007 21.316 19.771 489 H GLU 62 H GLU 62 0.148 22.625 17.485 490 HA GLU 62 HA GLU 62 1.341 25.147 16.765 491 HB2 GLU 62 HB2 GLU 62 -0.450 24.525 19.160 492 HB3 GLU 62 HB3 GLU 62 -0.095 26.104 18.446 493 HG2 GLU 62 HG2 GLU 62 -2.098 25.763 17.473 494 HG3 GLU 62 HG3 GLU 62 -1.082 25.029 16.239 495 H GLU 63 H GLU 63 2.871 26.411 17.755 496 HA GLU 63 HA GLU 63 4.768 25.082 19.459 497 HB2 GLU 63 HB2 GLU 63 6.106 27.046 19.221 498 HB3 GLU 63 HB3 GLU 63 5.341 26.671 17.698 499 HG2 GLU 63 HG2 GLU 63 5.076 28.926 17.707 500 HG3 GLU 63 HG3 GLU 63 3.534 28.443 18.374 501 H GLN 64 H GLN 64 1.952 26.726 20.356 502 HA GLN 64 HA GLN 64 2.670 26.279 23.163 503 HB2 GLN 64 HB2 GLN 64 1.661 28.314 23.981 504 HB3 GLN 64 HB3 GLN 64 2.958 28.696 22.855 505 HG2 GLN 64 HG2 GLN 64 1.193 29.044 21.052 506 HG3 GLN 64 HG3 GLN 64 -0.033 28.840 22.310 507 HE21 GLN 64 HE21 GLN 64 2.861 30.830 21.461 508 HE22 GLN 64 HE22 GLN 64 2.270 32.275 22.310 509 H ASN 65 H ASN 65 0.991 25.515 24.414 510 HA ASN 65 HA ASN 65 -1.338 24.481 22.849 511 HB2 ASN 65 HB2 ASN 65 0.389 22.890 24.773 512 HB3 ASN 65 HB3 ASN 65 -0.865 22.272 23.698 513 HD21 ASN 65 HD21 ASN 65 -0.420 22.807 21.254 514 HD22 ASN 65 HD22 ASN 65 1.266 22.814 20.754 515 H ARG 66 H ARG 66 -1.157 26.609 25.054 516 HA ARG 66 HA ARG 66 -3.427 25.642 26.736 517 HB2 ARG 66 HB2 ARG 66 -0.918 27.041 27.749 518 HB3 ARG 66 HB3 ARG 66 -2.409 26.808 28.675 519 HG2 ARG 66 HG2 ARG 66 -2.186 24.342 28.423 520 HG3 ARG 66 HG3 ARG 66 -0.621 24.575 27.632 521 HD2 ARG 66 HD2 ARG 66 -1.306 25.541 30.441 522 HD3 ARG 66 HD3 ARG 66 -0.470 24.013 30.060 523 HE ARG 66 HE ARG 66 1.008 26.035 28.792 524 HH11 ARG 66 HH11 ARG 66 0.224 25.255 32.127 525 HH12 ARG 66 HH12 ARG 66 1.685 25.988 32.724 526 HH21 ARG 66 HH21 ARG 66 2.849 26.950 29.645 527 HH22 ARG 66 HH22 ARG 66 3.100 26.944 31.361 528 H1 GLY -3 H1 GLY -3 32.432 10.710 8.939 529 H2 GLY -3 H2 GLY -3 32.539 9.411 7.946 530 H3 GLY -3 H3 GLY -3 33.397 9.448 9.339 531 HA2 GLY -3 HA2 GLY -3 31.400 9.422 10.664 532 HA3 GLY -3 HA3 GLY -3 30.455 9.375 9.168 533 HA PRO -2 HA PRO -2 31.689 5.028 10.689 534 HB2 PRO -2 HB2 PRO -2 29.332 4.147 11.758 535 HB3 PRO -2 HB3 PRO -2 30.526 5.097 12.687 536 HG2 PRO -2 HG2 PRO -2 28.056 6.130 11.253 537 HG3 PRO -2 HG3 PRO -2 28.559 6.441 12.936 538 HD2 PRO -2 HD2 PRO -2 29.113 8.197 10.947 539 HD3 PRO -2 HD3 PRO -2 30.295 7.887 12.251 540 H GLY -1 H GLY -1 31.024 3.019 9.722 541 HA2 GLY -1 HA2 GLY -1 29.823 3.223 7.065 542 HA3 GLY -1 HA3 GLY -1 30.407 1.767 7.860 543 H SER 0 H SER 0 28.010 2.092 6.312 544 HA SER 0 HA SER 0 25.812 1.572 6.230 545 HB2 SER 0 HB2 SER 0 26.664 -0.416 7.483 546 HB3 SER 0 HB3 SER 0 26.065 0.330 8.972 547 HG SER 0 HG SER 0 24.563 -1.138 7.972 548 H MET 1 H MET 1 23.619 1.652 7.668 549 HA MET 1 HA MET 1 23.384 4.139 9.231 550 HB2 MET 1 HB2 MET 1 21.890 5.243 7.679 551 HB3 MET 1 HB3 MET 1 23.436 4.960 6.894 552 HG2 MET 1 HG2 MET 1 22.478 2.968 5.747 553 HG3 MET 1 HG3 MET 1 20.909 3.296 6.494 554 HE1 MET 1 HE1 MET 1 20.565 6.462 6.299 555 HE2 MET 1 HE2 MET 1 19.675 6.514 4.756 556 HE3 MET 1 HE3 MET 1 19.339 5.228 5.933 557 H CYS 2 H CYS 2 20.987 4.609 9.641 558 HA CYS 2 HA CYS 2 19.276 2.209 9.880 559 HB2 CYS 2 HB2 CYS 2 18.959 2.593 12.293 560 HB3 CYS 2 HB3 CYS 2 20.647 2.229 11.929 561 HG CYS 2 HG CYS 2 21.564 4.632 12.013 562 H MET 3 H MET 3 17.117 2.919 10.965 563 HA MET 3 HA MET 3 15.757 4.504 9.160 564 HB2 MET 3 HB2 MET 3 15.130 3.375 11.877 565 HB3 MET 3 HB3 MET 3 14.063 4.625 11.289 566 HG2 MET 3 HG2 MET 3 13.189 2.471 10.648 567 HG3 MET 3 HG3 MET 3 13.613 3.427 9.236 568 HE1 MET 3 HE1 MET 3 14.320 0.308 11.401 569 HE2 MET 3 HE2 MET 3 15.795 -0.382 10.711 570 HE3 MET 3 HE3 MET 3 15.878 1.131 11.629 571 H ALA 4 H ALA 4 16.809 5.597 12.432 572 HA ALA 4 HA ALA 4 17.456 8.181 11.345 573 HB1 ALA 4 HB1 ALA 4 15.097 8.664 11.742 574 HB2 ALA 4 HB2 ALA 4 15.199 8.013 13.390 575 HB3 ALA 4 HB3 ALA 4 16.062 9.503 12.962 576 H LYS 5 H LYS 5 18.523 9.557 12.932 577 HA LYS 5 HA LYS 5 19.265 8.270 15.488 578 HB2 LYS 5 HB2 LYS 5 21.607 8.941 15.299 579 HB3 LYS 5 HB3 LYS 5 21.142 7.710 14.125 580 HG2 LYS 5 HG2 LYS 5 21.028 9.415 12.340 581 HG3 LYS 5 HG3 LYS 5 21.489 10.680 13.504 582 HD2 LYS 5 HD2 LYS 5 23.609 9.506 13.959 583 HD3 LYS 5 HD3 LYS 5 23.165 8.226 12.838 584 HE2 LYS 5 HE2 LYS 5 23.512 11.156 12.070 585 HE3 LYS 5 HE3 LYS 5 24.808 9.962 11.988 586 HZ1 LYS 5 HZ1 LYS 5 22.308 9.889 10.385 587 HZ2 LYS 5 HZ2 LYS 5 23.813 10.145 9.847 588 HZ3 LYS 5 HZ3 LYS 5 23.410 8.673 10.420 589 H VAL 6 H VAL 6 19.306 9.527 17.192 590 HA VAL 6 HA VAL 6 18.462 12.368 16.843 591 HB VAL 6 HB VAL 6 18.044 10.391 19.086 592 HG11 VAL 6 HG11 VAL 6 16.808 12.175 20.286 593 HG12 VAL 6 HG12 VAL 6 18.534 12.478 20.243 594 HG13 VAL 6 HG13 VAL 6 17.440 13.369 19.138 595 HG21 VAL 6 HG21 VAL 6 16.060 12.092 17.553 596 HG22 VAL 6 HG22 VAL 6 16.468 10.422 17.100 597 HG23 VAL 6 HG23 VAL 6 15.704 10.773 18.660 598 H VAL 7 H VAL 7 19.515 14.057 17.843 599 HA VAL 7 HA VAL 7 21.834 13.492 19.590 600 HB VAL 7 HB VAL 7 22.812 13.714 17.393 601 HG11 VAL 7 HG11 VAL 7 21.592 16.509 17.214 602 HG12 VAL 7 HG12 VAL 7 22.722 15.755 16.073 603 HG13 VAL 7 HG13 VAL 7 21.098 15.099 16.241 604 HG21 VAL 7 HG21 VAL 7 24.442 15.430 17.848 605 HG22 VAL 7 HG22 VAL 7 23.358 16.267 18.974 606 HG23 VAL 7 HG23 VAL 7 24.009 14.657 19.377 607 H LEU 8 H LEU 8 22.201 14.930 21.191 608 HA LEU 8 HA LEU 8 20.852 17.526 21.274 609 HB2 LEU 8 HB2 LEU 8 19.631 17.219 23.276 610 HB3 LEU 8 HB3 LEU 8 19.115 16.041 22.114 611 HG LEU 8 HG LEU 8 19.016 15.074 24.261 612 HD11 LEU 8 HD11 LEU 8 21.347 13.796 22.895 613 HD12 LEU 8 HD12 LEU 8 20.174 13.067 24.014 614 HD13 LEU 8 HD13 LEU 8 19.638 13.617 22.429 615 HD21 LEU 8 HD21 LEU 8 21.949 15.552 24.756 616 HD22 LEU 8 HD22 LEU 8 20.613 16.497 25.450 617 HD23 LEU 8 HD23 LEU 8 20.765 14.766 25.809 618 H THR 9 H THR 9 21.492 18.850 23.109 619 HA THR 9 HA THR 9 24.241 18.214 24.124 620 HB THR 9 HB THR 9 23.134 20.991 23.599 621 HG1 THR 9 HG1 THR 9 23.440 19.929 21.666 622 HG21 THR 9 HG21 THR 9 25.513 21.657 23.735 623 HG22 THR 9 HG22 THR 9 24.969 20.950 25.264 624 HG23 THR 9 HG23 THR 9 25.963 19.984 24.163 625 H LYS 10 H LYS 10 24.591 18.273 26.231 626 HA LYS 10 HA LYS 10 22.360 18.575 28.130 627 HB2 LYS 10 HB2 LYS 10 25.301 17.875 28.434 628 HB3 LYS 10 HB3 LYS 10 24.130 17.849 29.753 629 HG2 LYS 10 HG2 LYS 10 22.831 16.095 28.530 630 HG3 LYS 10 HG3 LYS 10 24.127 16.015 27.316 631 HD2 LYS 10 HD2 LYS 10 24.544 15.596 30.311 632 HD3 LYS 10 HD3 LYS 10 24.285 14.272 29.155 633 HE2 LYS 10 HE2 LYS 10 26.344 14.507 28.151 634 HE3 LYS 10 HE3 LYS 10 26.499 16.222 28.562 635 HZ1 LYS 10 HZ1 LYS 10 26.655 14.121 30.624 636 HZ2 LYS 10 HZ2 LYS 10 27.970 14.750 29.871 637 HZ3 LYS 10 HZ3 LYS 10 27.014 15.712 30.776 638 H ALA 11 H ALA 11 22.634 19.772 30.138 639 HA ALA 11 HA ALA 11 23.299 22.534 29.800 640 HB1 ALA 11 HB1 ALA 11 21.581 21.664 31.349 641 HB2 ALA 11 HB2 ALA 11 22.846 20.890 32.337 642 HB3 ALA 11 HB3 ALA 11 22.767 22.664 32.200 643 H ASP 12 H ASP 12 25.296 19.832 30.894 644 HA ASP 12 HA ASP 12 27.416 21.519 31.980 645 HB2 ASP 12 HB2 ASP 12 28.598 19.459 32.366 646 HB3 ASP 12 HB3 ASP 12 26.944 19.334 32.930 647 H GLY 13 H GLY 13 26.474 21.098 28.860 648 HA2 GLY 13 HA2 GLY 13 27.501 21.897 26.926 649 HA3 GLY 13 HA3 GLY 13 29.073 21.920 27.731 650 H GLY 14 H GLY 14 27.990 18.848 28.382 651 HA2 GLY 14 HA2 GLY 14 29.482 17.546 26.220 652 HA3 GLY 14 HA3 GLY 14 28.618 16.772 27.547 653 H ARG 15 H ARG 15 28.433 15.678 25.050 654 HA ARG 15 HA ARG 15 25.626 16.257 24.190 655 HB2 ARG 15 HB2 ARG 15 28.075 15.878 22.439 656 HB3 ARG 15 HB3 ARG 15 26.428 15.628 21.841 657 HG2 ARG 15 HG2 ARG 15 25.791 17.883 22.540 658 HG3 ARG 15 HG3 ARG 15 27.434 18.204 23.116 659 HD2 ARG 15 HD2 ARG 15 28.317 18.057 20.881 660 HD3 ARG 15 HD3 ARG 15 26.759 17.505 20.231 661 HE ARG 15 HE ARG 15 25.928 19.772 21.298 662 HH11 ARG 15 HH11 ARG 15 28.831 19.416 19.364 663 HH12 ARG 15 HH12 ARG 15 28.795 21.085 18.860 664 HH21 ARG 15 HH21 ARG 15 25.958 21.847 20.669 665 HH22 ARG 15 HH22 ARG 15 27.195 22.438 19.584 666 H VAL 16 H VAL 16 24.419 14.679 23.296 667 HA VAL 16 HA VAL 16 25.126 11.855 23.984 668 HB VAL 16 HB VAL 16 22.671 13.461 24.683 669 HG11 VAL 16 HG11 VAL 16 21.590 11.480 25.564 670 HG12 VAL 16 HG12 VAL 16 21.782 11.360 23.833 671 HG13 VAL 16 HG13 VAL 16 22.883 10.439 24.896 672 HG21 VAL 16 HG21 VAL 16 24.475 13.566 26.325 673 HG22 VAL 16 HG22 VAL 16 23.088 12.670 26.960 674 HG23 VAL 16 HG23 VAL 16 24.533 11.798 26.399 675 H GLU 17 H GLU 17 24.199 10.278 22.624 676 HA GLU 17 HA GLU 17 22.596 11.161 20.293 677 HB2 GLU 17 HB2 GLU 17 25.186 9.582 20.070 678 HB3 GLU 17 HB3 GLU 17 24.005 9.805 18.771 679 HG2 GLU 17 HG2 GLU 17 24.340 12.264 18.921 680 HG3 GLU 17 HG3 GLU 17 25.634 12.005 20.113 681 H ILE 18 H ILE 18 21.300 9.586 19.374 682 HA ILE 18 HA ILE 18 21.270 6.856 20.590 683 HB ILE 18 HB ILE 18 18.726 8.427 20.029 684 HG12 ILE 18 HG12 ILE 18 18.580 8.064 22.712 685 HG13 ILE 18 HG13 ILE 18 20.324 8.216 22.588 686 HG21 ILE 18 HG21 ILE 18 19.203 5.784 21.467 687 HG22 ILE 18 HG22 ILE 18 17.639 6.577 21.188 688 HG23 ILE 18 HG23 ILE 18 18.561 5.968 19.821 689 HD11 ILE 18 HD11 ILE 18 18.188 10.218 21.703 690 HD12 ILE 18 HD12 ILE 18 19.315 10.385 23.058 691 HD13 ILE 18 HD13 ILE 18 19.927 10.456 21.406 692 H GLY 19 H GLY 19 21.419 5.360 19.031 693 HA2 GLY 19 HA2 GLY 19 20.695 5.977 16.204 694 HA3 GLY 19 HA3 GLY 19 21.767 4.688 16.732 695 H ASP 20 H ASP 20 19.935 3.952 14.974 696 HA ASP 20 HA ASP 20 18.221 2.571 14.474 697 HB2 ASP 20 HB2 ASP 20 18.633 1.395 17.237 698 HB3 ASP 20 HB3 ASP 20 17.891 0.614 15.845 699 H VAL 21 H VAL 21 17.428 5.104 15.401 700 HA VAL 21 HA VAL 21 15.241 4.942 17.293 701 HB VAL 21 HB VAL 21 16.143 7.167 15.435 702 HG11 VAL 21 HG11 VAL 21 13.996 7.183 17.578 703 HG12 VAL 21 HG12 VAL 21 14.774 8.631 16.887 704 HG13 VAL 21 HG13 VAL 21 13.823 7.574 15.847 705 HG21 VAL 21 HG21 VAL 21 16.428 6.744 18.445 706 HG22 VAL 21 HG22 VAL 21 17.739 6.582 17.253 707 HG23 VAL 21 HG23 VAL 21 16.987 8.158 17.530 708 H LEU 22 H LEU 22 13.130 4.698 16.983 709 HA LEU 22 HA LEU 22 12.105 4.351 14.196 710 HB2 LEU 22 HB2 LEU 22 12.443 2.307 15.635 711 HB3 LEU 22 HB3 LEU 22 11.214 2.930 16.725 712 HG LEU 22 HG LEU 22 9.602 2.906 14.793 713 HD11 LEU 22 HD11 LEU 22 11.105 2.912 12.871 714 HD12 LEU 22 HD12 LEU 22 11.827 1.373 13.405 715 HD13 LEU 22 HD13 LEU 22 10.142 1.435 12.846 716 HD21 LEU 22 HD21 LEU 22 10.779 0.189 15.371 717 HD22 LEU 22 HD22 LEU 22 9.729 1.085 16.495 718 HD23 LEU 22 HD23 LEU 22 9.112 0.574 14.915 719 H GLU 23 H GLU 23 11.588 5.962 17.253 720 HA GLU 23 HA GLU 23 9.465 7.622 16.061 721 HB2 GLU 23 HB2 GLU 23 8.281 5.727 17.090 722 HB3 GLU 23 HB3 GLU 23 9.096 6.041 18.627 723 HG2 GLU 23 HG2 GLU 23 7.984 8.337 18.637 724 HG3 GLU 23 HG3 GLU 23 7.085 7.836 17.213 725 H VAL 24 H VAL 24 9.491 9.712 16.839 726 HA VAL 24 HA VAL 24 10.787 10.358 19.419 727 HB VAL 24 HB VAL 24 11.487 11.990 16.972 728 HG11 VAL 24 HG11 VAL 24 12.501 12.073 19.831 729 HG12 VAL 24 HG12 VAL 24 13.228 12.964 18.487 730 HG13 VAL 24 HG13 VAL 24 11.576 13.325 18.970 731 HG21 VAL 24 HG21 VAL 24 13.778 11.136 17.159 732 HG22 VAL 24 HG22 VAL 24 13.206 9.898 18.291 733 HG23 VAL 24 HG23 VAL 24 12.615 9.924 16.620 734 H ARG 25 H ARG 25 9.777 12.114 20.465 735 HA ARG 25 HA ARG 25 8.022 13.914 18.956 736 HB2 ARG 25 HB2 ARG 25 6.010 13.462 20.343 737 HB3 ARG 25 HB3 ARG 25 6.463 12.157 19.239 738 HG2 ARG 25 HG2 ARG 25 7.443 10.857 21.058 739 HG3 ARG 25 HG3 ARG 25 7.047 12.121 22.230 740 HD2 ARG 25 HD2 ARG 25 4.825 11.570 22.283 741 HD3 ARG 25 HD3 ARG 25 4.753 11.247 20.554 742 HE ARG 25 HE ARG 25 5.711 9.038 20.891 743 HH11 ARG 25 HH11 ARG 25 4.391 10.414 23.901 744 HH12 ARG 25 HH12 ARG 25 4.176 8.801 24.539 745 HH21 ARG 25 HH21 ARG 25 5.461 7.233 21.739 746 HH22 ARG 25 HH22 ARG 25 4.825 6.992 23.368 747 H ALA 26 H ALA 26 7.485 15.761 19.896 748 HA ALA 26 HA ALA 26 8.871 16.573 22.399 749 HB1 ALA 26 HB1 ALA 26 9.184 18.018 20.423 750 HB2 ALA 26 HB2 ALA 26 7.422 18.197 20.257 751 HB3 ALA 26 HB3 ALA 26 8.256 18.857 21.682 752 H GLU 27 H GLU 27 7.733 16.671 24.238 753 HA GLU 27 HA GLU 27 4.775 16.727 24.309 754 HB2 GLU 27 HB2 GLU 27 5.508 14.371 23.701 755 HB3 GLU 27 HB3 GLU 27 6.383 14.305 25.230 756 HG2 GLU 27 HG2 GLU 27 4.154 14.769 26.395 757 HG3 GLU 27 HG3 GLU 27 3.390 14.585 24.809 758 H GLY 28 H GLY 28 4.117 17.731 26.144 759 HA2 GLY 28 HA2 GLY 28 4.032 18.510 28.291 760 HA3 GLY 28 HA3 GLY 28 4.983 17.108 28.736 761 H GLY 29 H GLY 29 6.297 19.633 26.615 762 HA2 GLY 29 HA2 GLY 29 7.936 21.225 26.941 763 HA3 GLY 29 HA3 GLY 29 7.805 21.028 28.694 764 H ALA 30 H ALA 30 8.347 18.178 26.763 765 HA ALA 30 HA ALA 30 11.290 18.153 27.124 766 HB1 ALA 30 HB1 ALA 30 11.114 15.889 28.136 767 HB2 ALA 30 HB2 ALA 30 10.208 17.067 29.107 768 HB3 ALA 30 HB3 ALA 30 9.344 15.964 28.019 769 H VAL 31 H VAL 31 12.147 16.066 25.997 770 HA VAL 31 HA VAL 31 10.446 15.277 23.647 771 HB VAL 31 HB VAL 31 13.461 15.556 23.692 772 HG11 VAL 31 HG11 VAL 31 12.976 13.514 22.446 773 HG12 VAL 31 HG12 VAL 31 11.640 14.292 21.581 774 HG13 VAL 31 HG13 VAL 31 13.307 14.788 21.281 775 HG21 VAL 31 HG21 VAL 31 11.337 16.781 21.881 776 HG22 VAL 31 HG22 VAL 31 12.108 17.613 23.237 777 HG23 VAL 31 HG23 VAL 31 13.085 17.126 21.859 778 H ARG 32 H ARG 32 10.082 13.225 23.294 779 HA ARG 32 HA ARG 32 11.446 11.095 24.924 780 HB2 ARG 32 HB2 ARG 32 8.593 11.198 23.856 781 HB3 ARG 32 HB3 ARG 32 9.353 9.762 24.547 782 HG2 ARG 32 HG2 ARG 32 9.584 10.843 26.718 783 HG3 ARG 32 HG3 ARG 32 9.057 12.384 26.054 784 HD2 ARG 32 HD2 ARG 32 7.195 11.478 27.232 785 HD3 ARG 32 HD3 ARG 32 6.832 11.374 25.501 786 HE ARG 32 HE ARG 32 7.991 8.894 26.262 787 HH11 ARG 32 HH11 ARG 32 4.979 10.601 27.045 788 HH12 ARG 32 HH12 ARG 32 4.238 9.107 27.579 789 HH21 ARG 32 HH21 ARG 32 7.005 7.181 26.785 790 HH22 ARG 32 HH22 ARG 32 5.344 7.155 27.397 791 H VAL 33 H VAL 33 12.196 9.357 23.845 792 HA VAL 33 HA VAL 33 11.747 9.036 20.942 793 HB VAL 33 HB VAL 33 13.508 10.267 20.436 794 HG11 VAL 33 HG11 VAL 33 15.536 10.695 21.750 795 HG12 VAL 33 HG12 VAL 33 14.051 11.241 22.514 796 HG13 VAL 33 HG13 VAL 33 14.833 9.750 23.085 797 HG21 VAL 33 HG21 VAL 33 15.558 9.062 20.068 798 HG22 VAL 33 HG22 VAL 33 15.081 7.808 21.217 799 HG23 VAL 33 HG23 VAL 33 14.166 8.049 19.698 800 H THR 34 H THR 34 11.897 7.003 20.192 801 HA THR 34 HA THR 34 12.685 4.872 22.116 802 HB THR 34 HB THR 34 10.232 4.623 20.358 803 HG1 THR 34 HG1 THR 34 9.851 6.314 21.775 804 HG21 THR 34 HG21 THR 34 11.200 2.523 21.291 805 HG22 THR 34 HG22 THR 34 11.105 3.228 22.929 806 HG23 THR 34 HG23 THR 34 9.624 2.888 22.005 807 H THR 35 H THR 35 13.824 3.212 21.286 808 HA THR 35 HA THR 35 14.636 3.251 18.457 809 HB THR 35 HB THR 35 16.204 1.563 19.022 810 HG1 THR 35 HG1 THR 35 16.213 0.736 21.185 811 HG21 THR 35 HG21 THR 35 16.139 3.430 21.429 812 HG22 THR 35 HG22 THR 35 17.542 2.581 20.749 813 HG23 THR 35 HG23 THR 35 16.750 3.872 19.820 814 H LEU 36 H LEU 36 14.666 1.203 17.206 815 HA LEU 36 HA LEU 36 12.098 -0.112 17.133 816 HB2 LEU 36 HB2 LEU 36 13.052 -1.444 15.322 817 HB3 LEU 36 HB3 LEU 36 13.313 0.274 15.146 818 HG LEU 36 HG LEU 36 15.695 -0.275 16.249 819 HD11 LEU 36 HD11 LEU 36 14.928 -2.890 14.895 820 HD12 LEU 36 HD12 LEU 36 16.568 -2.439 15.405 821 HD13 LEU 36 HD13 LEU 36 15.305 -2.686 16.613 822 HD21 LEU 36 HD21 LEU 36 16.567 -0.475 13.952 823 HD22 LEU 36 HD22 LEU 36 14.918 -0.877 13.375 824 HD23 LEU 36 HD23 LEU 36 15.274 0.735 14.051 825 H PHE 37 H PHE 37 14.688 -0.687 19.236 826 HA PHE 37 HA PHE 37 13.956 -3.501 19.770 827 HB2 PHE 37 HB2 PHE 37 15.898 -1.693 21.243 828 HB3 PHE 37 HB3 PHE 37 15.732 -3.433 21.418 829 HD1 PHE 37 HD1 PHE 37 16.216 -4.945 19.386 830 HD2 PHE 37 HD2 PHE 37 17.419 -0.812 19.609 831 HE1 PHE 37 HE1 PHE 37 17.908 -5.344 17.602 832 HE2 PHE 37 HE2 PHE 37 19.094 -1.199 17.832 833 HZ PHE 37 HZ PHE 37 19.340 -3.467 16.814 834 H ASP 38 H ASP 38 12.384 -0.735 20.304 835 HA ASP 38 HA ASP 38 10.902 0.113 21.708 836 HB2 ASP 38 HB2 ASP 38 10.719 -2.575 23.096 837 HB3 ASP 38 HB3 ASP 38 9.558 -1.256 23.150 838 H GLU 39 H GLU 39 13.845 0.096 22.471 839 HA GLU 39 HA GLU 39 13.733 0.592 25.381 840 HB2 GLU 39 HB2 GLU 39 15.763 -0.406 24.306 841 HB3 GLU 39 HB3 GLU 39 15.987 1.095 23.412 842 HG2 GLU 39 HG2 GLU 39 17.453 1.074 25.332 843 HG3 GLU 39 HG3 GLU 39 16.270 2.353 25.511 844 H GLU 40 H GLU 40 13.203 2.525 26.260 845 HA GLU 40 HA GLU 40 12.843 4.842 24.414 846 HB2 GLU 40 HB2 GLU 40 10.777 3.758 25.307 847 HB3 GLU 40 HB3 GLU 40 11.285 4.219 26.936 848 HG2 GLU 40 HG2 GLU 40 11.285 6.599 26.244 849 HG3 GLU 40 HG3 GLU 40 10.787 6.142 24.620 850 H HIS 41 H HIS 41 13.548 6.790 24.851 851 HA HIS 41 HA HIS 41 15.051 7.382 27.364 852 HB2 HIS 41 HB2 HIS 41 15.770 8.378 24.592 853 HB3 HIS 41 HB3 HIS 41 16.710 8.520 26.071 854 HD2 HIS 41 HD2 HIS 41 16.035 6.247 23.130 855 HE1 HIS 41 HE1 HIS 41 18.690 4.038 25.635 856 HE2 HIS 41 HE2 HIS 41 17.562 4.110 23.344 857 H ALA 42 H ALA 42 14.998 9.600 28.036 858 HA ALA 42 HA ALA 42 13.163 11.414 26.622 859 HB1 ALA 42 HB1 ALA 42 11.824 11.837 28.632 860 HB2 ALA 42 HB2 ALA 42 11.693 10.138 28.145 861 HB3 ALA 42 HB3 ALA 42 12.725 10.599 29.527 862 H PHE 43 H PHE 43 13.454 13.536 26.970 863 HA PHE 43 HA PHE 43 15.791 14.451 28.611 864 HB2 PHE 43 HB2 PHE 43 15.276 15.008 25.677 865 HB3 PHE 43 HB3 PHE 43 16.574 15.689 26.660 866 HD1 PHE 43 HD1 PHE 43 18.327 14.133 27.653 867 HD2 PHE 43 HD2 PHE 43 15.498 12.846 24.659 868 HE1 PHE 43 HE1 PHE 43 19.727 12.134 27.194 869 HE2 PHE 43 HE2 PHE 43 16.914 10.848 24.192 870 HZ PHE 43 HZ PHE 43 19.019 10.486 25.486 871 HA PRO 44 HA PRO 44 12.347 17.300 29.526 872 HB2 PRO 44 HB2 PRO 44 14.233 17.928 31.773 873 HB3 PRO 44 HB3 PRO 44 12.444 17.765 31.803 874 HG2 PRO 44 HG2 PRO 44 14.006 15.740 32.685 875 HG3 PRO 44 HG3 PRO 44 12.615 15.365 31.618 876 HD2 PRO 44 HD2 PRO 44 15.541 15.656 30.849 877 HD3 PRO 44 HD3 PRO 44 14.365 14.378 30.410 878 H GLY 45 H GLY 45 12.034 19.481 29.235 879 HA2 GLY 45 HA2 GLY 45 12.472 21.707 28.857 880 HA3 GLY 45 HA3 GLY 45 14.183 21.440 29.198 881 H LEU 46 H LEU 46 13.512 19.190 26.850 882 HA LEU 46 HA LEU 46 14.536 20.946 24.714 883 HB2 LEU 46 HB2 LEU 46 14.213 17.936 24.730 884 HB3 LEU 46 HB3 LEU 46 14.989 18.898 23.484 885 HG LEU 46 HG LEU 46 15.978 18.367 26.308 886 HD11 LEU 46 HD11 LEU 46 16.359 16.705 24.432 887 HD12 LEU 46 HD12 LEU 46 17.279 17.962 23.583 888 HD13 LEU 46 HD13 LEU 46 17.848 17.351 25.147 889 HD21 LEU 46 HD21 LEU 46 16.529 20.723 25.873 890 HD22 LEU 46 HD22 LEU 46 17.981 19.722 25.730 891 HD23 LEU 46 HD23 LEU 46 17.168 20.297 24.268 892 H ALA 47 H ALA 47 13.825 20.798 22.587 893 HA ALA 47 HA ALA 47 11.250 19.560 21.913 894 HB1 ALA 47 HB1 ALA 47 10.639 21.905 22.374 895 HB2 ALA 47 HB2 ALA 47 11.899 22.467 21.249 896 HB3 ALA 47 HB3 ALA 47 10.504 21.555 20.644 897 H ILE 48 H ILE 48 11.068 19.274 19.497 898 HA ILE 48 HA ILE 48 13.640 18.489 18.347 899 HB ILE 48 HB ILE 48 10.866 18.481 17.135 900 HG12 ILE 48 HG12 ILE 48 12.406 16.032 18.076 901 HG13 ILE 48 HG13 ILE 48 11.330 16.906 19.165 902 HG21 ILE 48 HG21 ILE 48 11.925 16.899 15.442 903 HG22 ILE 48 HG22 ILE 48 12.552 18.540 15.347 904 HG23 ILE 48 HG23 ILE 48 13.503 17.273 16.160 905 HD11 ILE 48 HD11 ILE 48 9.429 16.578 17.594 906 HD12 ILE 48 HD12 ILE 48 10.485 15.588 16.558 907 HD13 ILE 48 HD13 ILE 48 10.110 15.055 18.207 908 H GLY 49 H GLY 49 14.985 19.807 17.295 909 HA2 GLY 49 HA2 GLY 49 14.196 22.565 16.595 910 HA3 GLY 49 HA3 GLY 49 15.822 21.862 16.581 911 H ARG 50 H ARG 50 15.524 19.689 14.913 912 HA ARG 50 HA ARG 50 14.124 20.369 12.464 913 HB2 ARG 50 HB2 ARG 50 16.019 20.568 10.963 914 HB3 ARG 50 HB3 ARG 50 16.066 21.843 12.175 915 HG2 ARG 50 HG2 ARG 50 17.837 20.638 13.397 916 HG3 ARG 50 HG3 ARG 50 17.765 19.326 12.196 917 HD2 ARG 50 HD2 ARG 50 18.260 21.168 10.447 918 HD3 ARG 50 HD3 ARG 50 18.666 22.202 11.816 919 HE ARG 50 HE ARG 50 20.431 20.591 12.441 920 HH11 ARG 50 HH11 ARG 50 19.364 20.379 9.068 921 HH12 ARG 50 HH12 ARG 50 20.545 19.129 8.730 922 HH21 ARG 50 HH21 ARG 50 22.070 19.230 11.787 923 HH22 ARG 50 HH22 ARG 50 22.135 18.700 10.126 924 H VAL 51 H VAL 51 14.155 18.766 10.855 925 HA VAL 51 HA VAL 51 15.459 16.179 11.565 926 HB VAL 51 HB VAL 51 12.699 16.373 10.347 927 HG11 VAL 51 HG11 VAL 51 12.727 13.893 10.826 928 HG12 VAL 51 HG12 VAL 51 13.850 14.417 9.569 929 HG13 VAL 51 HG13 VAL 51 14.460 14.044 11.187 930 HG21 VAL 51 HG21 VAL 51 12.521 16.998 12.700 931 HG22 VAL 51 HG22 VAL 51 11.895 15.370 12.458 932 HG23 VAL 51 HG23 VAL 51 13.513 15.597 13.173 933 H ASP 52 H ASP 52 16.748 15.486 10.036 934 HA ASP 52 HA ASP 52 16.748 16.850 7.366 935 HB2 ASP 52 HB2 ASP 52 18.295 17.797 9.058 936 HB3 ASP 52 HB3 ASP 52 19.074 16.222 9.217 937 H LEU 53 H LEU 53 15.722 15.116 6.402 938 HA LEU 53 HA LEU 53 16.363 12.374 6.831 939 HB2 LEU 53 HB2 LEU 53 14.843 13.695 4.551 940 HB3 LEU 53 HB3 LEU 53 14.817 11.984 4.960 941 HG LEU 53 HG LEU 53 12.809 12.849 5.647 942 HD11 LEU 53 HD11 LEU 53 12.708 12.421 8.036 943 HD12 LEU 53 HD12 LEU 53 13.778 11.273 7.231 944 HD13 LEU 53 HD13 LEU 53 14.465 12.618 8.173 945 HD21 LEU 53 HD21 LEU 53 13.357 15.258 5.718 946 HD22 LEU 53 HD22 LEU 53 12.347 14.704 7.066 947 HD23 LEU 53 HD23 LEU 53 14.064 15.023 7.337 948 H ARG 54 H ARG 54 17.832 14.711 4.789 949 HA ARG 54 HA ARG 54 19.175 13.155 2.803 950 HB2 ARG 54 HB2 ARG 54 20.025 15.576 4.408 951 HB3 ARG 54 HB3 ARG 54 20.900 14.993 2.999 952 HG2 ARG 54 HG2 ARG 54 19.194 15.590 1.495 953 HG3 ARG 54 HG3 ARG 54 17.948 15.676 2.731 954 HD2 ARG 54 HD2 ARG 54 18.595 17.915 1.934 955 HD3 ARG 54 HD3 ARG 54 18.872 17.706 3.658 956 HE ARG 54 HE ARG 54 20.930 17.874 1.496 957 HH11 ARG 54 HH11 ARG 54 20.351 17.751 4.993 958 HH12 ARG 54 HH12 ARG 54 21.939 18.363 5.325 959 HH21 ARG 54 HH21 ARG 54 22.926 18.608 2.044 960 HH22 ARG 54 HH22 ARG 54 23.344 18.837 3.724 961 H SER 55 H SER 55 19.748 13.430 6.251 962 HA SER 55 HA SER 55 21.907 11.358 6.094 963 HB2 SER 55 HB2 SER 55 21.898 13.784 7.923 964 HB3 SER 55 HB3 SER 55 23.117 12.503 7.879 965 HG SER 55 HG SER 55 23.780 14.310 6.673 966 H GLY 56 H GLY 56 18.852 11.758 7.132 967 HA2 GLY 56 HA2 GLY 56 17.506 10.638 8.608 968 HA3 GLY 56 HA3 GLY 56 18.868 9.567 8.991 969 H VAL 57 H VAL 57 19.264 13.013 9.527 970 HA VAL 57 HA VAL 57 19.732 12.450 12.389 971 HB VAL 57 HB VAL 57 20.338 14.872 10.665 972 HG11 VAL 57 HG11 VAL 57 20.943 14.439 13.627 973 HG12 VAL 57 HG12 VAL 57 21.652 15.703 12.603 974 HG13 VAL 57 HG13 VAL 57 19.924 15.720 12.936 975 HG21 VAL 57 HG21 VAL 57 21.780 12.875 10.317 976 HG22 VAL 57 HG22 VAL 57 22.670 14.193 11.074 977 HG23 VAL 57 HG23 VAL 57 22.120 12.817 12.064 978 H ILE 58 H ILE 58 18.504 13.030 14.011 979 HA ILE 58 HA ILE 58 16.359 15.106 13.695 980 HB ILE 58 HB ILE 58 16.482 12.615 15.419 981 HG12 ILE 58 HG12 ILE 58 14.402 13.476 13.368 982 HG13 ILE 58 HG13 ILE 58 15.745 12.372 13.026 983 HG21 ILE 58 HG21 ILE 58 14.280 13.352 16.365 984 HG22 ILE 58 HG22 ILE 58 15.584 14.435 16.812 985 HG23 ILE 58 HG23 ILE 58 14.458 14.911 15.522 986 HD11 ILE 58 HD11 ILE 58 13.860 11.012 13.400 987 HD12 ILE 58 HD12 ILE 58 14.855 10.855 14.850 988 HD13 ILE 58 HD13 ILE 58 13.393 11.880 14.872 989 H SER 59 H SER 59 17.132 16.967 14.505 990 HA SER 59 HA SER 59 19.168 16.916 16.696 991 HB2 SER 59 HB2 SER 59 19.717 18.123 14.597 992 HB3 SER 59 HB3 SER 59 18.322 19.177 14.891 993 HG SER 59 HG SER 59 20.314 20.052 15.669 994 H LEU 60 H LEU 60 18.654 17.521 18.725 995 HA LEU 60 HA LEU 60 16.032 18.883 19.223 996 HB2 LEU 60 HB2 LEU 60 17.669 17.395 21.248 997 HB3 LEU 60 HB3 LEU 60 15.995 17.904 21.354 998 HG LEU 60 HG LEU 60 17.093 15.659 19.608 999 HD11 LEU 60 HD11 LEU 60 15.730 14.239 21.138 1000 HD12 LEU 60 HD12 LEU 60 17.043 15.082 21.964 1001 HD13 LEU 60 HD13 LEU 60 15.388 15.686 22.119 1002 HD21 LEU 60 HD21 LEU 60 15.188 16.651 18.448 1003 HD22 LEU 60 HD22 LEU 60 14.719 15.109 19.158 1004 HD23 LEU 60 HD23 LEU 60 14.232 16.637 19.937 1005 H ILE 61 H ILE 61 15.892 20.613 20.583 1006 HA ILE 61 HA ILE 61 18.330 21.908 21.677 1007 HB ILE 61 HB ILE 61 17.478 24.132 20.758 1008 HG12 ILE 61 HG12 ILE 61 16.404 24.043 18.501 1009 HG13 ILE 61 HG13 ILE 61 15.996 22.356 18.770 1010 HG21 ILE 61 HG21 ILE 61 18.754 23.918 18.715 1011 HG22 ILE 61 HG22 ILE 61 19.525 22.961 19.992 1012 HG23 ILE 61 HG23 ILE 61 18.573 22.155 18.729 1013 HD11 ILE 61 HD11 ILE 61 15.022 24.669 20.502 1014 HD12 ILE 61 HD12 ILE 61 14.127 23.989 19.136 1015 HD13 ILE 61 HD13 ILE 61 14.449 22.981 20.559 1016 H GLU 62 H GLU 62 17.805 23.698 23.200 1017 HA GLU 62 HA GLU 62 15.695 22.923 25.033 1018 HB2 GLU 62 HB2 GLU 62 17.393 25.442 24.895 1019 HB3 GLU 62 HB3 GLU 62 16.242 25.065 26.183 1020 HG2 GLU 62 HG2 GLU 62 17.511 22.970 26.688 1021 HG3 GLU 62 HG3 GLU 62 18.675 23.383 25.428 1022 H GLU 63 H GLU 63 13.652 23.620 25.279 1023 HA GLU 63 HA GLU 63 12.381 24.929 23.043 1024 HB2 GLU 63 HB2 GLU 63 10.342 24.360 24.076 1025 HB3 GLU 63 HB3 GLU 63 11.475 23.051 24.391 1026 HG2 GLU 63 HG2 GLU 63 10.472 23.230 26.433 1027 HG3 GLU 63 HG3 GLU 63 11.913 24.217 26.679 1028 H GLN 64 H GLN 64 13.956 26.317 25.636 1029 HA GLN 64 HA GLN 64 12.330 28.710 25.912 1030 HB2 GLN 64 HB2 GLN 64 15.071 27.871 26.918 1031 HB3 GLN 64 HB3 GLN 64 14.404 29.458 27.295 1032 HG2 GLN 64 HG2 GLN 64 12.962 26.877 28.042 1033 HG3 GLN 64 HG3 GLN 64 14.122 27.680 29.087 1034 HE21 GLN 64 HE21 GLN 64 10.818 27.544 28.328 1035 HE22 GLN 64 HE22 GLN 64 10.362 29.057 29.116 1036 H ASN 65 H ASN 65 13.896 27.898 23.406 1037 HA ASN 65 HA ASN 65 15.300 30.423 22.710 1038 HB2 ASN 65 HB2 ASN 65 14.991 27.764 21.268 1039 HB3 ASN 65 HB3 ASN 65 15.709 29.177 20.511 1040 HD21 ASN 65 HD21 ASN 65 16.349 26.556 22.644 1041 HD22 ASN 65 HD22 ASN 65 17.997 27.066 23.038 1042 H ARG 66 H ARG 66 12.562 30.743 23.289 1043 HA ARG 66 HA ARG 66 11.000 31.054 20.819 1044 HB2 ARG 66 HB2 ARG 66 10.431 31.821 23.716 1045 HB3 ARG 66 HB3 ARG 66 9.280 31.987 22.377 1046 HG2 ARG 66 HG2 ARG 66 9.265 29.572 21.998 1047 HG3 ARG 66 HG3 ARG 66 10.561 29.339 23.191 1048 HD2 ARG 66 HD2 ARG 66 9.079 30.213 24.975 1049 HD3 ARG 66 HD3 ARG 66 7.759 30.379 23.808 1050 HE ARG 66 HE ARG 66 8.881 27.883 24.957 1051 HH11 ARG 66 HH11 ARG 66 6.747 29.101 22.417 1052 HH12 ARG 66 HH12 ARG 66 5.886 27.588 22.367 1053 HH21 ARG 66 HH21 ARG 66 7.759 26.041 24.754 1054 HH22 ARG 66 HH22 ARG 66 6.417 25.925 23.609
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