NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607495 | 2n6r | 25778 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 1.731 -0.714 0.641 2 H2 GLY 1 H2 GLY 1 1.395 0.939 0.443 3 H3 GLY 1 H3 GLY 1 0.332 -0.225 -0.189 4 HA2 GLY 1 HA2 GLY 1 3.116 0.225 -1.035 5 HA3 GLY 1 HA3 GLY 1 2.006 -0.990 -1.696 6 H THR 2 H THR 2 -0.290 0.144 -2.177 7 HA THR 2 HA THR 2 0.202 1.776 -4.459 8 HB THR 2 HB THR 2 -2.391 2.305 -4.055 9 HG1 THR 2 HG1 THR 2 -3.317 0.513 -2.877 10 HG21 THR 2 HG21 THR 2 -2.858 0.555 -5.498 11 HG22 THR 2 HG22 THR 2 -1.731 -0.557 -4.686 12 HG23 THR 2 HG23 THR 2 -1.103 0.737 -5.735 13 HA PRO 3 HA PRO 3 0.383 5.914 -2.985 14 HB2 PRO 3 HB2 PRO 3 -1.050 7.257 -4.877 15 HB3 PRO 3 HB3 PRO 3 0.568 6.575 -5.184 16 HG2 PRO 3 HG2 PRO 3 -2.141 5.461 -5.881 17 HG3 PRO 3 HG3 PRO 3 -0.650 5.516 -6.870 18 HD2 PRO 3 HD2 PRO 3 -1.458 3.277 -5.553 19 HD3 PRO 3 HD3 PRO 3 0.269 3.674 -5.817 20 H SER 4 H SER 4 -0.731 7.553 -1.899 21 HA SER 4 HA SER 4 -3.672 7.345 -1.724 22 HB2 SER 4 HB2 SER 4 -1.781 6.619 0.495 23 HB3 SER 4 HB3 SER 4 -3.282 7.481 0.909 24 HG SER 4 HG SER 4 -3.461 5.280 -0.838 25 H ALA 5 H ALA 5 -4.620 9.123 -0.432 26 HA ALA 5 HA ALA 5 -3.621 11.621 -1.261 27 HB1 ALA 5 HB1 ALA 5 -5.863 10.661 0.141 28 HB2 ALA 5 HB2 ALA 5 -5.127 11.898 1.188 29 HB3 ALA 5 HB3 ALA 5 -5.591 12.306 -0.482 30 H ASP 6 H ASP 6 -2.779 9.659 1.498 31 HA ASP 6 HA ASP 6 -1.687 11.713 3.157 32 HB2 ASP 6 HB2 ASP 6 -2.172 9.395 3.916 33 HB3 ASP 6 HB3 ASP 6 -0.823 8.805 2.921 34 H GLN 7 H GLN 7 -0.518 10.117 0.283 35 HA GLN 7 HA GLN 7 2.273 10.791 0.694 36 HB2 GLN 7 HB2 GLN 7 0.626 9.847 -1.656 37 HB3 GLN 7 HB3 GLN 7 2.311 10.361 -1.879 38 HG2 GLN 7 HG2 GLN 7 1.581 8.310 0.198 39 HG3 GLN 7 HG3 GLN 7 1.794 7.859 -1.510 40 HE21 GLN 7 HE21 GLN 7 3.582 6.601 -1.177 41 HE22 GLN 7 HE22 GLN 7 5.173 7.296 -0.706 42 H VAL 8 H VAL 8 -0.524 12.378 -0.726 43 HA VAL 8 HA VAL 8 1.198 14.538 -1.809 44 HB VAL 8 HB VAL 8 -0.872 15.446 -2.775 45 HG11 VAL 8 HG11 VAL 8 -0.315 12.510 -3.245 46 HG12 VAL 8 HG12 VAL 8 -1.433 13.460 -4.255 47 HG13 VAL 8 HG13 VAL 8 0.287 13.908 -4.164 48 HG21 VAL 8 HG21 VAL 8 -2.375 14.698 -0.929 49 HG22 VAL 8 HG22 VAL 8 -2.999 14.325 -2.554 50 HG23 VAL 8 HG23 VAL 8 -2.266 13.039 -1.567 51 H ARG 9 H ARG 9 0.712 13.961 1.130 52 HA ARG 9 HA ARG 9 -0.922 16.168 2.076 53 HB2 ARG 9 HB2 ARG 9 0.902 14.130 3.325 54 HB3 ARG 9 HB3 ARG 9 0.439 15.560 4.269 55 HG2 ARG 9 HG2 ARG 9 -1.622 13.828 2.913 56 HG3 ARG 9 HG3 ARG 9 -0.968 13.431 4.522 57 HD2 ARG 9 HD2 ARG 9 -1.996 15.206 5.531 58 HD3 ARG 9 HD3 ARG 9 -1.920 16.220 4.070 59 HE ARG 9 HE ARG 9 -3.702 14.107 3.521 60 HH11 ARG 9 HH11 ARG 9 -3.420 16.858 5.716 61 HH12 ARG 9 HH12 ARG 9 -5.167 17.087 5.850 62 HH21 ARG 9 HH21 ARG 9 -5.955 14.408 3.698 63 HH22 ARG 9 HH22 ARG 9 -6.596 15.704 4.713 64 H TYR 10 H TYR 10 0.251 17.571 3.915 65 HA TYR 10 HA TYR 10 2.828 18.592 2.851 66 HB2 TYR 10 HB2 TYR 10 2.068 20.876 2.754 67 HB3 TYR 10 HB3 TYR 10 0.944 19.890 1.792 68 HD1 TYR 10 HD1 TYR 10 1.367 21.754 4.953 69 HD2 TYR 10 HD2 TYR 10 -1.352 19.663 2.436 70 HE1 TYR 10 HE1 TYR 10 -0.517 22.643 6.260 71 HE2 TYR 10 HE2 TYR 10 -3.243 20.547 3.735 72 HH TYR 10 HH TYR 10 -3.889 21.946 5.340 73 H ASN 11 H ASN 11 3.934 20.053 4.329 74 HA ASN 11 HA ASN 11 3.039 19.630 7.154 75 HB2 ASN 11 HB2 ASN 11 5.325 19.328 7.837 76 HB3 ASN 11 HB3 ASN 11 5.035 18.238 6.463 77 HD21 ASN 11 HD21 ASN 11 7.372 19.897 7.741 78 HD22 ASN 11 HD22 ASN 11 8.190 20.554 6.281 79 H TYR 12 H TYR 12 3.224 21.316 8.575 80 HA TYR 12 HA TYR 12 3.342 23.955 7.370 81 HB2 TYR 12 HB2 TYR 12 3.053 22.976 10.229 82 HB3 TYR 12 HB3 TYR 12 3.087 24.700 9.799 83 HD1 TYR 12 HD2 TYR 12 1.387 25.316 7.816 84 HD2 TYR 12 HD1 TYR 12 0.983 21.991 10.439 85 HE1 TYR 12 HE2 TYR 12 -1.027 25.255 7.356 86 HE2 TYR 12 HE1 TYR 12 -1.433 21.920 9.986 87 HH TYR 12 HH TYR 12 -2.884 23.088 7.535 88 H THR 13 H THR 13 5.138 24.991 6.873 89 HA THR 13 HA THR 13 7.467 24.674 8.725 90 HB THR 13 HB THR 13 8.930 25.075 6.700 91 HG1 THR 13 HG1 THR 13 7.833 24.451 4.657 92 HG21 THR 13 HG21 THR 13 7.212 22.587 6.891 93 HG22 THR 13 HG22 THR 13 8.840 22.857 7.560 94 HG23 THR 13 HG23 THR 13 8.612 22.715 5.801 95 H GLU 14 H GLU 14 9.092 26.494 8.455 96 HA GLU 14 HA GLU 14 7.547 29.029 8.459 97 HB2 GLU 14 HB2 GLU 14 9.674 27.969 10.036 98 HB3 GLU 14 HB3 GLU 14 10.311 29.385 9.178 99 HG2 GLU 14 HG2 GLU 14 8.350 30.688 10.020 100 HG3 GLU 14 HG3 GLU 14 7.901 29.273 11.002 101 H LEU 15 H LEU 15 7.882 30.689 7.084 102 HA LEU 15 HA LEU 15 9.790 30.142 4.856 103 HB2 LEU 15 HB2 LEU 15 7.208 31.662 5.083 104 HB3 LEU 15 HB3 LEU 15 8.375 32.084 3.809 105 HG LEU 15 HG LEU 15 7.382 29.257 4.138 106 HD11 LEU 15 HD11 LEU 15 5.325 30.312 3.905 107 HD12 LEU 15 HD12 LEU 15 5.783 29.969 2.220 108 HD13 LEU 15 HD13 LEU 15 5.990 31.607 2.881 109 HD21 LEU 15 HD21 LEU 15 8.242 30.765 1.661 110 HD22 LEU 15 HD22 LEU 15 8.059 29.008 1.879 111 HD23 LEU 15 HD23 LEU 15 9.381 29.873 2.699 112 HA PRO 16 HA PRO 16 12.360 33.560 5.868 113 HB2 PRO 16 HB2 PRO 16 12.972 34.557 3.404 114 HB3 PRO 16 HB3 PRO 16 13.625 33.015 4.019 115 HG2 PRO 16 HG2 PRO 16 11.322 33.503 2.141 116 HG3 PRO 16 HG3 PRO 16 12.622 32.276 2.047 117 HD2 PRO 16 HD2 PRO 16 10.122 31.702 2.957 118 HD3 PRO 16 HD3 PRO 16 11.590 30.879 3.574 119 H ASN 17 H ASN 17 9.408 34.038 4.114 120 HA ASN 17 HA ASN 17 9.599 36.963 4.138 121 HB2 ASN 17 HB2 ASN 17 7.286 36.877 3.260 122 HB3 ASN 17 HB3 ASN 17 8.382 35.826 2.335 123 HD21 ASN 17 HD21 ASN 17 6.006 35.174 1.813 124 HD22 ASN 17 HD22 ASN 17 5.409 33.772 2.768 125 H GLY 18 H GLY 18 9.027 34.645 6.464 126 HA2 GLY 18 HA2 GLY 18 8.628 35.398 8.743 127 HA3 GLY 18 HA3 GLY 18 7.560 36.665 8.110 128 H GLU 19 H GLU 19 6.362 34.653 6.191 129 HA GLU 19 HA GLU 19 4.301 33.735 8.071 130 HB2 GLU 19 HB2 GLU 19 4.425 33.188 5.092 131 HB3 GLU 19 HB3 GLU 19 2.996 33.226 6.143 132 HG2 GLU 19 HG2 GLU 19 4.644 35.524 5.109 133 HG3 GLU 19 HG3 GLU 19 2.902 35.218 4.919 134 H TYR 20 H TYR 20 3.330 31.438 7.121 135 HA TYR 20 HA TYR 20 5.529 29.545 7.766 136 HB2 TYR 20 HB2 TYR 20 2.591 29.611 8.177 137 HB3 TYR 20 HB3 TYR 20 3.256 28.024 7.735 138 HD1 TYR 20 HD2 TYR 20 3.293 30.707 10.262 139 HD2 TYR 20 HD1 TYR 20 4.655 26.804 9.263 140 HE1 TYR 20 HE2 TYR 20 3.997 30.362 12.594 141 HE2 TYR 20 HE1 TYR 20 5.361 26.446 11.590 142 HH TYR 20 HH TYR 20 5.138 29.047 14.004 143 H CYS 21 H CYS 21 2.580 29.373 5.725 144 HA CYS 21 HA CYS 21 4.000 28.943 3.286 145 HB2 CYS 21 HB2 CYS 21 3.810 26.585 2.949 146 HB3 CYS 21 HB3 CYS 21 4.580 26.805 4.535 147 H TYR 22 H TYR 22 2.603 28.463 1.490 148 HA TYR 22 HA TYR 22 -0.158 29.352 2.067 149 HB2 TYR 22 HB2 TYR 22 1.544 29.135 -0.417 150 HB3 TYR 22 HB3 TYR 22 -0.221 29.294 -0.551 151 HD1 TYR 22 HD2 TYR 22 -0.929 31.181 1.515 152 HD2 TYR 22 HD1 TYR 22 2.495 31.155 -1.010 153 HE1 TYR 22 HE2 TYR 22 -0.733 33.619 1.766 154 HE2 TYR 22 HE1 TYR 22 2.702 33.593 -0.765 155 HH TYR 22 HH TYR 22 0.277 35.478 1.026 156 H THR 23 H THR 23 -1.829 28.030 2.198 157 HA THR 23 HA THR 23 -1.657 25.246 2.118 158 HB THR 23 HB THR 23 -4.256 25.553 1.421 159 HG1 THR 23 HG1 THR 23 -4.933 27.611 2.296 160 HG21 THR 23 HG21 THR 23 -2.742 25.766 3.974 161 HG22 THR 23 HG22 THR 23 -4.024 24.629 3.490 162 HG23 THR 23 HG23 THR 23 -4.446 26.276 4.015 163 HA PRO 24 HA PRO 24 -1.662 23.898 -2.066 164 HB2 PRO 24 HB2 PRO 24 -3.363 21.768 -1.995 165 HB3 PRO 24 HB3 PRO 24 -1.736 21.737 -1.265 166 HG2 PRO 24 HG2 PRO 24 -4.413 22.181 0.043 167 HG3 PRO 24 HG3 PRO 24 -3.030 21.186 0.596 168 HD2 PRO 24 HD2 PRO 24 -3.544 23.668 1.587 169 HD3 PRO 24 HD3 PRO 24 -1.883 23.012 1.429 170 H ARG 25 H ARG 25 -2.802 23.859 -4.031 171 HA ARG 25 HA ARG 25 -4.440 24.502 -5.506 172 HB2 ARG 25 HB2 ARG 25 -6.441 24.262 -3.238 173 HB3 ARG 25 HB3 ARG 25 -6.742 24.115 -4.981 174 HG2 ARG 25 HG2 ARG 25 -5.519 22.031 -5.064 175 HG3 ARG 25 HG3 ARG 25 -5.056 22.198 -3.352 176 HD2 ARG 25 HD2 ARG 25 -7.893 21.948 -4.398 177 HD3 ARG 25 HD3 ARG 25 -6.938 20.628 -3.682 178 HE ARG 25 HE ARG 25 -7.166 22.967 -1.958 179 HH11 ARG 25 HH11 ARG 25 -8.682 19.961 -3.023 180 HH12 ARG 25 HH12 ARG 25 -9.622 19.768 -1.539 181 HH21 ARG 25 HH21 ARG 25 -8.381 22.711 -0.046 182 HH22 ARG 25 HH22 ARG 25 -9.452 21.318 0.139 183 H ARG 26 H ARG 26 -3.087 26.389 -3.552 184 HA ARG 26 HA ARG 26 -5.082 28.610 -3.737 185 HB2 ARG 26 HB2 ARG 26 -3.674 27.715 -1.523 186 HB3 ARG 26 HB3 ARG 26 -2.699 29.089 -2.079 187 HG2 ARG 26 HG2 ARG 26 -5.244 30.106 -2.205 188 HG3 ARG 26 HG3 ARG 26 -5.333 29.030 -0.787 189 HD2 ARG 26 HD2 ARG 26 -2.890 30.669 -0.910 190 HD3 ARG 26 HD3 ARG 26 -4.393 31.613 -0.778 191 HE ARG 26 HE ARG 26 -3.189 29.884 1.251 192 HH11 ARG 26 HH11 ARG 26 -6.125 31.457 0.080 193 HH12 ARG 26 HH12 ARG 26 -6.910 31.442 1.664 194 HH21 ARG 26 HH21 ARG 26 -4.208 29.868 3.291 195 HH22 ARG 26 HH22 ARG 26 -5.828 30.548 3.474 196 H ARG 27 H ARG 27 -4.478 30.598 -4.579 197 HA ARG 27 HA ARG 27 -2.533 30.485 -6.685 198 HB2 ARG 27 HB2 ARG 27 -4.451 31.932 -6.894 199 HB3 ARG 27 HB3 ARG 27 -4.022 32.802 -5.408 200 HG2 ARG 27 HG2 ARG 27 -2.064 33.745 -6.469 201 HG3 ARG 27 HG3 ARG 27 -2.358 32.781 -7.937 202 HD2 ARG 27 HD2 ARG 27 -3.238 34.852 -8.510 203 HD3 ARG 27 HD3 ARG 27 -4.674 33.963 -7.952 204 HE ARG 27 HE ARG 27 -3.638 35.279 -5.702 205 HH11 ARG 27 HH11 ARG 27 -4.933 36.119 -8.877 206 HH12 ARG 27 HH12 ARG 27 -5.576 37.674 -8.339 207 HH21 ARG 27 HH21 ARG 27 -4.470 37.287 -5.014 208 HH22 ARG 27 HH22 ARG 27 -5.313 38.333 -6.160 209 H CYS 28 H CYS 28 -0.407 30.631 -6.572 210 HA CYS 28 HA CYS 28 0.746 32.261 -4.343 211 HB2 CYS 28 HB2 CYS 28 2.716 30.659 -4.469 212 HB3 CYS 28 HB3 CYS 28 1.212 29.975 -3.811 213 H THR 29 H THR 29 3.270 32.538 -4.911 214 HA THR 29 HA THR 29 3.325 33.577 -7.719 215 HB THR 29 HB THR 29 4.644 35.450 -7.015 216 HG1 THR 29 HG1 THR 29 5.235 35.688 -4.767 217 HG21 THR 29 HG21 THR 29 2.778 35.580 -4.734 218 HG22 THR 29 HG22 THR 29 2.022 35.116 -6.278 219 HG23 THR 29 HG23 THR 29 2.930 36.641 -6.155 220 H SER 30 H SER 30 5.043 31.983 -5.087 221 HA SER 30 HA SER 30 7.076 31.113 -7.084 222 HB2 SER 30 HB2 SER 30 7.938 31.739 -4.262 223 HB3 SER 30 HB3 SER 30 8.909 31.670 -5.751 224 HG SER 30 HG SER 30 8.549 33.835 -5.019 225 H ALA 31 H ALA 31 7.871 29.052 -6.821 226 HA ALA 31 HA ALA 31 6.179 27.157 -5.590 227 HB1 ALA 31 HB1 ALA 31 8.935 27.113 -6.734 228 HB2 ALA 31 HB2 ALA 31 8.413 25.721 -5.755 229 HB3 ALA 31 HB3 ALA 31 7.483 26.191 -7.198 230 H ASP 32 H ASP 32 9.133 28.736 -4.396 231 HA ASP 32 HA ASP 32 9.577 27.174 -2.103 232 HB2 ASP 32 HB2 ASP 32 10.894 29.207 -3.109 233 HB3 ASP 32 HB3 ASP 32 9.885 30.174 -2.011 234 H GLN 33 H GLN 33 7.138 29.622 -2.740 235 HA GLN 33 HA GLN 33 6.374 29.979 0.026 236 HB2 GLN 33 HB2 GLN 33 4.673 30.451 -2.445 237 HB3 GLN 33 HB3 GLN 33 4.478 31.193 -0.843 238 HG2 GLN 33 HG2 GLN 33 6.978 31.990 -1.360 239 HG3 GLN 33 HG3 GLN 33 6.388 31.825 -3.031 240 HE21 GLN 33 HE21 GLN 33 3.997 32.708 -3.204 241 HE22 GLN 33 HE22 GLN 33 3.811 34.376 -2.557 242 H CYS 34 H CYS 34 5.175 27.976 -2.670 243 HA CYS 34 HA CYS 34 2.877 26.931 -1.452 244 HB2 CYS 34 HB2 CYS 34 3.353 26.471 -3.768 245 HB3 CYS 34 HB3 CYS 34 4.862 25.632 -3.351 246 H CYS 35 H CYS 35 2.479 25.681 0.241 247 HA CYS 35 HA CYS 35 4.429 24.898 2.085 248 HB2 CYS 35 HB2 CYS 35 1.693 24.816 1.986 249 HB3 CYS 35 HB3 CYS 35 2.088 23.086 1.907 250 H ARG 36 H ARG 36 5.887 23.329 2.243 251 HA ARG 36 HA ARG 36 6.302 21.537 0.019 252 HB2 ARG 36 HB2 ARG 36 7.575 21.984 2.704 253 HB3 ARG 36 HB3 ARG 36 7.943 20.487 1.824 254 HG2 ARG 36 HG2 ARG 36 9.617 21.774 1.004 255 HG3 ARG 36 HG3 ARG 36 8.350 22.237 -0.159 256 HD2 ARG 36 HD2 ARG 36 9.133 24.307 0.482 257 HD3 ARG 36 HD3 ARG 36 7.799 24.074 1.638 258 HE ARG 36 HE ARG 36 10.187 23.031 2.779 259 HH11 ARG 36 HH11 ARG 36 8.719 26.097 1.825 260 HH12 ARG 36 HH12 ARG 36 9.589 27.033 3.045 261 HH21 ARG 36 HH21 ARG 36 11.306 24.245 4.351 262 HH22 ARG 36 HH22 ARG 36 11.048 25.989 4.470 263 HA PRO 37 HA PRO 37 4.024 17.950 1.139 264 HB2 PRO 37 HB2 PRO 37 5.742 15.942 0.466 265 HB3 PRO 37 HB3 PRO 37 4.893 16.940 -0.743 266 HG2 PRO 37 HG2 PRO 37 7.715 17.167 0.285 267 HG3 PRO 37 HG3 PRO 37 7.105 17.302 -1.393 268 HD2 PRO 37 HD2 PRO 37 7.712 19.474 0.130 269 HD3 PRO 37 HD3 PRO 37 6.408 19.487 -1.099 270 H TYR 38 H TYR 38 3.750 16.319 2.681 271 HA TYR 38 HA TYR 38 5.047 16.750 5.166 272 HB2 TYR 38 HB2 TYR 38 2.777 15.614 4.636 273 HB3 TYR 38 HB3 TYR 38 3.730 14.131 4.420 274 HD1 TYR 38 HD2 TYR 38 5.350 13.558 6.415 275 HD2 TYR 38 HD1 TYR 38 1.963 16.108 6.743 276 HE1 TYR 38 HE2 TYR 38 5.295 13.161 8.841 277 HE2 TYR 38 HE1 TYR 38 1.898 15.721 9.171 278 HH TYR 38 HH TYR 38 4.118 13.423 10.730 279 H ASP 39 H ASP 39 5.760 14.575 2.493 280 HA ASP 39 HA ASP 39 8.199 13.711 3.992 281 HB2 ASP 39 HB2 ASP 39 7.962 11.550 2.571 282 HB3 ASP 39 HB3 ASP 39 6.912 11.745 3.992 283 H THR 40 H THR 40 9.533 15.209 3.022 284 HA THR 40 HA THR 40 9.558 15.852 0.268 285 HB THR 40 HB THR 40 12.152 16.225 0.850 286 HG1 THR 40 HG1 THR 40 12.305 16.654 3.141 287 HG21 THR 40 HG21 THR 40 11.441 18.341 0.768 288 HG22 THR 40 HG22 THR 40 10.722 18.190 2.389 289 HG23 THR 40 HG23 THR 40 9.767 17.764 0.949 290 H THR 41 H THR 41 10.742 13.053 1.969 291 HA THR 41 HA THR 41 12.539 12.218 -0.178 292 HB THR 41 HB THR 41 12.966 11.558 2.161 293 HG1 THR 41 HG1 THR 41 12.536 9.620 0.131 294 HG21 THR 41 HG21 THR 41 10.667 11.315 2.945 295 HG22 THR 41 HG22 THR 41 11.567 9.802 3.209 296 HG23 THR 41 HG23 THR 41 10.420 9.930 1.854 297 H ALA 42 H ALA 42 9.180 12.153 0.334 298 HA ALA 42 HA ALA 42 8.917 10.153 -1.865 299 HB1 ALA 42 HB1 ALA 42 8.253 8.796 -0.118 300 HB2 ALA 42 HB2 ALA 42 7.559 10.146 0.812 301 HB3 ALA 42 HB3 ALA 42 6.702 9.515 -0.615 302 H ALA 43 H ALA 43 8.885 13.138 -1.689 303 HA ALA 43 HA ALA 43 6.729 13.596 -3.488 304 HB1 ALA 43 HB1 ALA 43 5.162 13.419 -1.745 305 HB2 ALA 43 HB2 ALA 43 6.193 14.318 -0.605 306 HB3 ALA 43 HB3 ALA 43 5.406 15.170 -1.956 307 H PHE 44 H PHE 44 6.406 15.962 -3.944 308 HA PHE 44 HA PHE 44 8.722 17.600 -3.053 309 HB2 PHE 44 HB2 PHE 44 9.064 18.339 -5.442 310 HB3 PHE 44 HB3 PHE 44 9.519 16.651 -5.117 311 HD1 PHE 44 HD2 PHE 44 8.020 14.819 -5.869 312 HD2 PHE 44 HD1 PHE 44 7.362 18.872 -6.986 313 HE1 PHE 44 HE2 PHE 44 6.556 14.073 -7.699 314 HE2 PHE 44 HE1 PHE 44 5.895 18.134 -8.818 315 HZ PHE 44 HZ PHE 44 5.492 15.731 -9.178 316 H HIS 45 H HIS 45 8.498 19.909 -3.963 317 HA HIS 45 HA HIS 45 5.598 20.647 -3.855 318 HB2 HIS 45 HB2 HIS 45 6.126 22.566 -2.555 319 HB3 HIS 45 HB3 HIS 45 7.024 21.227 -1.811 320 HD2 HIS 45 HD2 HIS 45 7.711 24.538 -3.763 321 HE1 HIS 45 HE1 HIS 45 11.418 22.970 -2.423 322 HE2 HIS 45 HE2 HIS 45 10.269 24.963 -3.513 323 H GLY 46 H GLY 46 5.204 22.919 -4.739 324 HA2 GLY 46 HA2 GLY 46 6.876 24.267 -6.497 325 HA3 GLY 46 HA3 GLY 46 6.225 22.933 -7.466 326 H CYS 47 H CYS 47 5.817 25.696 -7.994 327 HA CYS 47 HA CYS 47 2.916 25.976 -7.326 328 HB2 CYS 47 HB2 CYS 47 5.146 27.932 -7.710 329 HB3 CYS 47 HB3 CYS 47 3.533 28.415 -8.279 330 H GLY 48 H GLY 48 1.511 25.570 -8.887 331 HA2 GLY 48 HA2 GLY 48 1.759 26.593 -11.536 332 HA3 GLY 48 HA3 GLY 48 2.308 24.907 -11.539 333 H ARG 49 H ARG 49 0.581 24.349 -12.934 334 HA ARG 49 HA ARG 49 -1.999 24.095 -11.449 335 HB2 ARG 49 HB2 ARG 49 -1.700 24.707 -14.412 336 HB3 ARG 49 HB3 ARG 49 -3.226 24.481 -13.536 337 HG2 ARG 49 HG2 ARG 49 -3.175 26.556 -12.632 338 HG3 ARG 49 HG3 ARG 49 -1.399 26.568 -12.483 339 HD2 ARG 49 HD2 ARG 49 -2.960 26.898 -15.064 340 HD3 ARG 49 HD3 ARG 49 -2.221 28.218 -14.127 341 HE ARG 49 HE ARG 49 -0.362 26.096 -14.902 342 HH11 ARG 49 HH11 ARG 49 -1.899 29.145 -15.797 343 HH12 ARG 49 HH12 ARG 49 -0.619 29.601 -16.926 344 HH21 ARG 49 HH21 ARG 49 1.287 26.688 -16.362 345 HH22 ARG 49 HH22 ARG 49 1.178 28.214 -17.245 346 H ILE 50 H ILE 50 -2.206 22.006 -11.003 347 HA ILE 50 HA ILE 50 -1.325 20.050 -13.076 348 HB ILE 50 HB ILE 50 -1.529 18.367 -11.202 349 HG12 ILE 50 HG12 ILE 50 -1.556 20.792 -9.378 350 HG13 ILE 50 HG13 ILE 50 -3.048 19.947 -9.846 351 HG21 ILE 50 HG21 ILE 50 0.623 19.307 -11.910 352 HG22 ILE 50 HG22 ILE 50 0.407 20.663 -10.778 353 HG23 ILE 50 HG23 ILE 50 0.593 19.005 -10.156 354 HD11 ILE 50 HD11 ILE 50 -2.351 17.945 -8.773 355 HD12 ILE 50 HD12 ILE 50 -0.702 18.572 -8.530 356 HD13 ILE 50 HD13 ILE 50 -2.066 19.281 -7.635 357 H TRP 51 H TRP 51 -3.916 21.665 -12.863 358 HA TRP 51 HA TRP 51 -5.665 19.334 -13.391 359 HB2 TRP 51 HB2 TRP 51 -6.259 21.504 -11.350 360 HB3 TRP 51 HB3 TRP 51 -7.519 20.469 -12.059 361 HD1 TRP 51 HD1 TRP 51 -5.434 20.646 -9.098 362 HE1 TRP 51 HE1 TRP 51 -5.221 18.351 -7.902 363 HE3 TRP 51 HE3 TRP 51 -7.165 17.668 -12.877 364 HZ2 TRP 51 HZ2 TRP 51 -5.741 15.646 -8.547 365 HZ3 TRP 51 HZ3 TRP 51 -7.275 15.238 -12.507 366 HH2 TRP 51 HH2 TRP 51 -6.577 14.249 -10.386 367 HA PRO 52 HA PRO 52 -7.151 21.818 -16.699 368 HB2 PRO 52 HB2 PRO 52 -9.742 20.985 -16.880 369 HB3 PRO 52 HB3 PRO 52 -8.359 19.976 -17.379 370 HG2 PRO 52 HG2 PRO 52 -9.947 19.915 -14.821 371 HG3 PRO 52 HG3 PRO 52 -9.365 18.554 -15.827 372 HD2 PRO 52 HD2 PRO 52 -8.101 19.344 -13.551 373 HD3 PRO 52 HD3 PRO 52 -7.226 18.655 -14.954 374 H LYS 53 H LYS 53 -8.961 21.814 -13.662 375 HA LYS 53 HA LYS 53 -10.725 23.967 -14.253 376 HB2 LYS 53 HB2 LYS 53 -9.638 22.705 -11.759 377 HB3 LYS 53 HB3 LYS 53 -10.461 24.270 -11.615 378 HG2 LYS 53 HG2 LYS 53 -12.313 23.058 -13.056 379 HG3 LYS 53 HG3 LYS 53 -11.552 21.596 -12.380 380 HD2 LYS 53 HD2 LYS 53 -13.312 22.187 -10.895 381 HD3 LYS 53 HD3 LYS 53 -11.795 22.672 -10.097 382 HE2 LYS 53 HE2 LYS 53 -12.311 24.965 -11.348 383 HE3 LYS 53 HE3 LYS 53 -13.979 24.347 -11.265 384 HZ1 LYS 53 HZ1 LYS 53 -13.524 25.678 -9.340 385 HZ2 LYS 53 HZ2 LYS 53 -12.131 24.793 -8.974 386 HZ3 LYS 53 HZ3 LYS 53 -13.653 24.065 -8.847 387 H ASP 54 H ASP 54 -7.520 23.943 -12.649 388 HA ASP 54 HA ASP 54 -7.412 26.787 -12.309 389 HB2 ASP 54 HB2 ASP 54 -5.133 24.782 -12.531 390 HB3 ASP 54 HB3 ASP 54 -5.008 26.434 -11.886 391 H LYS 55 H LYS 55 -6.688 24.648 -14.984 392 HA LYS 55 HA LYS 55 -5.016 26.424 -16.474 393 HB2 LYS 55 HB2 LYS 55 -5.158 24.068 -17.035 394 HB3 LYS 55 HB3 LYS 55 -6.895 24.211 -17.371 395 HG2 LYS 55 HG2 LYS 55 -5.605 26.114 -19.011 396 HG3 LYS 55 HG3 LYS 55 -4.660 24.610 -19.128 397 HD2 LYS 55 HD2 LYS 55 -6.362 23.455 -20.120 398 HD3 LYS 55 HD3 LYS 55 -7.627 24.366 -19.259 399 HE2 LYS 55 HE2 LYS 55 -7.876 25.782 -20.967 400 HE3 LYS 55 HE3 LYS 55 -6.125 26.090 -21.045 401 HZ1 LYS 55 HZ1 LYS 55 -5.812 24.361 -22.541 402 HZ2 LYS 55 HZ2 LYS 55 -7.269 25.041 -23.066 403 HZ3 LYS 55 HZ3 LYS 55 -7.281 23.608 -22.168 404 H ARG 56 H ARG 56 -8.523 26.106 -16.164 405 HA ARG 56 HA ARG 56 -9.274 27.689 -18.395 406 HB2 ARG 56 HB2 ARG 56 -10.724 27.643 -15.730 407 HB3 ARG 56 HB3 ARG 56 -11.414 27.892 -17.346 408 HG2 ARG 56 HG2 ARG 56 -10.580 25.512 -17.857 409 HG3 ARG 56 HG3 ARG 56 -10.400 25.349 -16.092 410 HD2 ARG 56 HD2 ARG 56 -12.599 25.075 -15.814 411 HD3 ARG 56 HD3 ARG 56 -12.967 26.513 -16.796 412 HE ARG 56 HE ARG 56 -13.024 23.721 -17.640 413 HH11 ARG 56 HH11 ARG 56 -12.674 27.083 -18.659 414 HH12 ARG 56 HH12 ARG 56 -13.213 26.764 -20.312 415 HH21 ARG 56 HH21 ARG 56 -13.718 23.317 -19.773 416 HH22 ARG 56 HH22 ARG 56 -13.802 24.642 -20.940 417 H GLU 57 H GLU 57 -8.609 28.614 -15.001 418 HA GLU 57 HA GLU 57 -8.983 31.452 -15.642 419 HB2 GLU 57 HB2 GLU 57 -7.922 30.116 -13.123 420 HB3 GLU 57 HB3 GLU 57 -8.371 31.825 -13.285 421 HG2 GLU 57 HG2 GLU 57 -10.633 31.370 -13.349 422 HG3 GLU 57 HG3 GLU 57 -10.389 29.699 -13.909 423 H LYS 58 H LYS 58 -6.422 29.142 -15.662 424 HA LYS 58 HA LYS 58 -4.178 29.331 -16.102 425 HB2 LYS 58 HB2 LYS 58 -5.068 32.024 -17.193 426 HB3 LYS 58 HB3 LYS 58 -3.440 31.354 -17.411 427 HG2 LYS 58 HG2 LYS 58 -5.998 30.040 -18.359 428 HG3 LYS 58 HG3 LYS 58 -4.906 31.017 -19.372 429 HD2 LYS 58 HD2 LYS 58 -4.138 28.477 -17.897 430 HD3 LYS 58 HD3 LYS 58 -4.519 28.589 -19.633 431 HE2 LYS 58 HE2 LYS 58 -2.242 29.967 -18.177 432 HE3 LYS 58 HE3 LYS 58 -2.111 28.592 -19.300 433 HZ1 LYS 58 HZ1 LYS 58 -2.851 31.398 -19.914 434 HZ2 LYS 58 HZ2 LYS 58 -3.175 30.134 -20.989 435 HZ3 LYS 58 HZ3 LYS 58 -1.579 30.484 -20.552 436 H VAL 59 H VAL 59 -4.393 29.510 -13.573 437 HA VAL 59 HA VAL 59 -2.629 31.792 -12.828 438 HB VAL 59 HB VAL 59 -4.824 32.495 -12.094 439 HG11 VAL 59 HG11 VAL 59 -6.414 31.069 -11.466 440 HG12 VAL 59 HG12 VAL 59 -5.264 29.731 -11.708 441 HG13 VAL 59 HG13 VAL 59 -5.418 30.495 -10.107 442 HG21 VAL 59 HG21 VAL 59 -3.808 31.528 -9.487 443 HG22 VAL 59 HG22 VAL 59 -2.622 32.376 -10.508 444 HG23 VAL 59 HG23 VAL 59 -4.139 33.185 -10.050 445 H ASP 60 H ASP 60 -0.825 31.047 -11.964 446 HA ASP 60 HA ASP 60 -0.380 28.329 -11.336 447 HB2 ASP 60 HB2 ASP 60 1.615 29.321 -9.985 448 HB3 ASP 60 HB3 ASP 60 1.550 29.595 -11.740 449 H ARG 61 H ARG 61 -0.664 27.073 -9.599 450 HA ARG 61 HA ARG 61 -1.392 28.407 -7.033 451 HB2 ARG 61 HB2 ARG 61 -2.868 26.026 -8.218 452 HB3 ARG 61 HB3 ARG 61 -3.215 26.825 -6.671 453 HG2 ARG 61 HG2 ARG 61 -3.263 28.797 -8.740 454 HG3 ARG 61 HG3 ARG 61 -4.260 27.410 -9.245 455 HD2 ARG 61 HD2 ARG 61 -4.541 28.408 -6.442 456 HD3 ARG 61 HD3 ARG 61 -5.234 29.391 -7.755 457 HE ARG 61 HE ARG 61 -5.951 26.565 -7.890 458 HH11 ARG 61 HH11 ARG 61 -6.733 29.728 -6.534 459 HH12 ARG 61 HH12 ARG 61 -8.436 29.331 -6.274 460 HH21 ARG 61 HH21 ARG 61 -8.148 26.058 -7.552 461 HH22 ARG 61 HH22 ARG 61 -9.233 27.261 -6.847 462 H CYS 62 H CYS 62 -1.041 27.138 -5.141 463 HA CYS 62 HA CYS 62 1.366 25.598 -5.270 464 HB2 CYS 62 HB2 CYS 62 0.846 26.784 -3.250 465 HB3 CYS 62 HB3 CYS 62 -0.722 25.963 -3.093 466 H TYR 63 H TYR 63 1.761 23.498 -5.541 467 HA TYR 63 HA TYR 63 -0.512 21.596 -5.248 468 HB2 TYR 63 HB2 TYR 63 -0.068 20.537 -7.355 469 HB3 TYR 63 HB3 TYR 63 -0.225 22.279 -7.670 470 HD1 TYR 63 HD2 TYR 63 2.138 19.457 -7.465 471 HD2 TYR 63 HD1 TYR 63 1.648 23.565 -8.449 472 HE1 TYR 63 HE2 TYR 63 4.333 19.446 -8.574 473 HE2 TYR 63 HE1 TYR 63 3.841 23.568 -9.561 474 HH TYR 63 HH TYR 63 5.946 20.703 -9.491 475 H ILE 64 H ILE 64 0.102 19.398 -4.915 476 HA ILE 64 HA ILE 64 2.980 18.934 -4.366 477 HB ILE 64 HB ILE 64 0.798 18.504 -2.297 478 HG12 ILE 64 HG12 ILE 64 3.274 20.278 -2.248 479 HG13 ILE 64 HG13 ILE 64 1.612 20.848 -2.518 480 HG21 ILE 64 HG21 ILE 64 2.348 16.650 -2.251 481 HG22 ILE 64 HG22 ILE 64 3.738 17.760 -2.272 482 HG23 ILE 64 HG23 ILE 64 2.663 17.708 -0.854 483 HD11 ILE 64 HD11 ILE 64 1.365 19.450 -0.175 484 HD12 ILE 64 HD12 ILE 64 2.996 20.152 -0.032 485 HD13 ILE 64 HD13 ILE 64 1.593 21.209 -0.316 486 H CYS 65 H CYS 65 3.576 17.068 -5.216 487 HA CYS 65 HA CYS 65 1.498 14.923 -5.423 488 HB2 CYS 65 HB2 CYS 65 3.684 15.649 -7.412 489 HB3 CYS 65 HB3 CYS 65 2.657 14.203 -7.523 490 H ASN 66 H ASN 66 2.484 12.710 -5.730 491 HA ASN 66 HA ASN 66 4.474 12.352 -3.608 492 HB2 ASN 66 HB2 ASN 66 4.064 9.948 -3.945 493 HB3 ASN 66 HB3 ASN 66 2.532 10.839 -3.794 494 HD21 ASN 66 HD21 ASN 66 2.625 8.313 -4.866 495 HD22 ASN 66 HD22 ASN 66 2.263 8.413 -6.624 496 H ASN 67 H ASN 67 6.292 10.767 -3.943 497 HA ASN 67 HA ASN 67 8.083 11.792 -5.882 498 HB2 ASN 67 HB2 ASN 67 9.561 9.963 -5.246 499 HB3 ASN 67 HB3 ASN 67 8.745 10.590 -3.796 500 HD21 ASN 67 HD21 ASN 67 7.069 9.388 -2.839 501 HD22 ASN 67 HD22 ASN 67 6.944 7.617 -3.127 502 H GLU 68 H GLU 68 5.747 9.173 -6.026 503 HA GLU 68 HA GLU 68 6.848 8.046 -8.481 504 HB2 GLU 68 HB2 GLU 68 4.042 7.645 -7.405 505 HB3 GLU 68 HB3 GLU 68 4.991 6.552 -8.434 506 HG2 GLU 68 HG2 GLU 68 6.577 6.227 -6.550 507 HG3 GLU 68 HG3 GLU 68 5.512 7.222 -5.529 508 H LYS 69 H LYS 69 5.088 10.821 -7.747 509 HA LYS 69 HA LYS 69 3.883 12.310 -9.016 510 HB2 LYS 69 HB2 LYS 69 5.673 10.991 -11.054 511 HB3 LYS 69 HB3 LYS 69 4.478 12.197 -11.569 512 HG2 LYS 69 HG2 LYS 69 5.475 13.846 -10.062 513 HG3 LYS 69 HG3 LYS 69 6.666 12.637 -9.523 514 HD2 LYS 69 HD2 LYS 69 7.337 12.430 -11.980 515 HD3 LYS 69 HD3 LYS 69 6.373 13.903 -12.255 516 HE2 LYS 69 HE2 LYS 69 8.544 14.710 -11.928 517 HE3 LYS 69 HE3 LYS 69 7.769 14.924 -10.341 518 HZ1 LYS 69 HZ1 LYS 69 8.889 12.378 -10.364 519 HZ2 LYS 69 HZ2 LYS 69 9.401 13.723 -9.476 520 HZ3 LYS 69 HZ3 LYS 69 10.066 13.414 -11.001 521 H THR 70 H THR 70 2.733 9.639 -8.484 522 HA THR 70 HA THR 70 1.028 9.270 -10.895 523 HB THR 70 HB THR 70 0.291 7.186 -9.889 524 HG1 THR 70 HG1 THR 70 1.180 6.549 -7.824 525 HG21 THR 70 HG21 THR 70 2.940 7.752 -10.666 526 HG22 THR 70 HG22 THR 70 2.136 6.163 -10.634 527 HG23 THR 70 HG23 THR 70 3.071 6.717 -9.223 528 H LEU 71 H LEU 71 0.943 10.212 -7.493 529 HA LEU 71 HA LEU 71 -1.959 10.849 -7.852 530 HB2 LEU 71 HB2 LEU 71 -1.188 9.056 -6.125 531 HB3 LEU 71 HB3 LEU 71 -0.653 10.458 -5.168 532 HG LEU 71 HG LEU 71 -3.189 11.211 -5.673 533 HD11 LEU 71 HD11 LEU 71 -4.158 9.473 -6.785 534 HD12 LEU 71 HD12 LEU 71 -4.429 8.919 -5.116 535 HD13 LEU 71 HD13 LEU 71 -3.076 8.258 -6.064 536 HD21 LEU 71 HD21 LEU 71 -3.736 10.103 -3.439 537 HD22 LEU 71 HD22 LEU 71 -2.341 11.207 -3.473 538 HD23 LEU 71 HD23 LEU 71 -2.082 9.446 -3.486 539 H CYS 72 H CYS 72 -2.735 12.815 -7.099 540 HA CYS 72 HA CYS 72 -0.772 14.710 -5.951 541 HB2 CYS 72 HB2 CYS 72 -2.279 15.229 -8.544 542 HB3 CYS 72 HB3 CYS 72 -1.357 16.449 -7.640 543 H THR 73 H THR 73 -1.826 16.802 -5.335 544 HA THR 73 HA THR 73 -4.020 16.334 -3.649 545 HB THR 73 HB THR 73 -4.338 18.948 -3.934 546 HG1 THR 73 HG1 THR 73 -2.345 19.890 -4.707 547 HG21 THR 73 HG21 THR 73 -2.985 17.382 -2.189 548 HG22 THR 73 HG22 THR 73 -3.008 19.160 -2.102 549 HG23 THR 73 HG23 THR 73 -1.636 18.323 -2.867 550 H SER 74 H SER 74 -6.200 17.242 -3.698 551 HA SER 74 HA SER 74 -7.591 16.414 -6.060 552 HB2 SER 74 HB2 SER 74 -8.553 16.433 -3.745 553 HB3 SER 74 HB3 SER 74 -8.612 18.210 -3.822 554 HG SER 74 HG SER 74 -10.621 17.225 -4.404 555 H VAL 75 H VAL 75 -9.356 17.969 -7.009 556 HA VAL 75 HA VAL 75 -7.823 20.243 -8.139 557 HB VAL 75 HB VAL 75 -8.931 18.647 -9.684 558 HG11 VAL 75 HG11 VAL 75 -11.154 18.161 -9.672 559 HG12 VAL 75 HG12 VAL 75 -10.974 18.558 -7.945 560 HG13 VAL 75 HG13 VAL 75 -11.618 19.772 -9.076 561 HG21 VAL 75 HG21 VAL 75 -10.427 21.215 -10.028 562 HG22 VAL 75 HG22 VAL 75 -8.647 21.264 -10.002 563 HG23 VAL 75 HG23 VAL 75 -9.493 20.268 -11.210 564 H MET 76 H MET 76 -10.464 19.531 -5.995 565 HA MET 76 HA MET 76 -11.260 22.410 -6.030 566 HB2 MET 76 HB2 MET 76 -13.283 21.600 -4.767 567 HB3 MET 76 HB3 MET 76 -13.143 20.970 -6.420 568 HG2 MET 76 HG2 MET 76 -12.500 18.834 -5.670 569 HG3 MET 76 HG3 MET 76 -12.161 19.423 -4.027 570 HE1 MET 76 HE1 MET 76 -14.213 20.319 -2.361 571 HE2 MET 76 HE2 MET 76 -15.304 18.929 -2.152 572 HE3 MET 76 HE3 MET 76 -13.544 18.674 -2.246 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 2.437 -1.557 0.552 2 H2 GLY 1 H2 GLY 1 1.122 -0.997 -0.365 3 H3 GLY 1 H3 GLY 1 2.554 -1.476 -1.141 4 HA2 GLY 1 HA2 GLY 1 2.258 0.801 0.701 5 HA3 GLY 1 HA3 GLY 1 3.753 0.300 -0.110 6 H THR 2 H THR 2 0.325 0.898 -1.012 7 HA THR 2 HA THR 2 1.273 2.085 -3.550 8 HB THR 2 HB THR 2 -1.380 2.384 -3.741 9 HG1 THR 2 HG1 THR 2 -2.390 0.592 -2.636 10 HG21 THR 2 HG21 THR 2 -1.002 0.878 -5.345 11 HG22 THR 2 HG22 THR 2 -0.936 -0.421 -4.130 12 HG23 THR 2 HG23 THR 2 0.547 0.458 -4.576 13 HA PRO 3 HA PRO 3 0.795 6.306 -2.420 14 HB2 PRO 3 HB2 PRO 3 -0.302 7.381 -4.674 15 HB3 PRO 3 HB3 PRO 3 1.396 6.841 -4.580 16 HG2 PRO 3 HG2 PRO 3 -1.002 5.427 -5.731 17 HG3 PRO 3 HG3 PRO 3 0.659 5.562 -6.387 18 HD2 PRO 3 HD2 PRO 3 -0.229 3.343 -5.087 19 HD3 PRO 3 HD3 PRO 3 1.476 3.889 -5.016 20 H SER 4 H SER 4 -0.612 7.659 -1.427 21 HA SER 4 HA SER 4 -3.495 7.420 -2.028 22 HB2 SER 4 HB2 SER 4 -2.302 6.835 0.709 23 HB3 SER 4 HB3 SER 4 -4.029 7.157 0.424 24 HG SER 4 HG SER 4 -3.535 4.897 0.445 25 H ALA 5 H ALA 5 -4.702 8.944 -0.317 26 HA ALA 5 HA ALA 5 -3.900 11.574 -0.939 27 HB1 ALA 5 HB1 ALA 5 -5.746 12.246 0.220 28 HB2 ALA 5 HB2 ALA 5 -6.137 10.515 0.062 29 HB3 ALA 5 HB3 ALA 5 -5.438 11.136 1.576 30 H ASP 6 H ASP 6 -2.847 9.431 1.595 31 HA ASP 6 HA ASP 6 -1.817 11.493 3.347 32 HB2 ASP 6 HB2 ASP 6 -2.381 9.049 3.927 33 HB3 ASP 6 HB3 ASP 6 -0.817 8.635 3.193 34 H GLN 7 H GLN 7 -0.659 9.848 0.490 35 HA GLN 7 HA GLN 7 2.140 10.482 0.926 36 HB2 GLN 7 HB2 GLN 7 0.492 9.440 -1.364 37 HB3 GLN 7 HB3 GLN 7 2.139 10.027 -1.675 38 HG2 GLN 7 HG2 GLN 7 1.524 7.967 0.443 39 HG3 GLN 7 HG3 GLN 7 1.848 7.536 -1.254 40 HE21 GLN 7 HE21 GLN 7 3.854 7.064 -1.741 41 HE22 GLN 7 HE22 GLN 7 5.307 7.623 -0.839 42 H VAL 8 H VAL 8 -0.627 12.141 -0.390 43 HA VAL 8 HA VAL 8 1.128 14.220 -1.587 44 HB VAL 8 HB VAL 8 -1.020 15.186 -2.445 45 HG11 VAL 8 HG11 VAL 8 0.398 13.635 -3.769 46 HG12 VAL 8 HG12 VAL 8 -0.589 12.275 -3.179 47 HG13 VAL 8 HG13 VAL 8 -1.327 13.539 -4.191 48 HG21 VAL 8 HG21 VAL 8 -3.076 13.994 -2.266 49 HG22 VAL 8 HG22 VAL 8 -2.280 12.603 -1.492 50 HG23 VAL 8 HG23 VAL 8 -2.422 14.146 -0.617 51 H ARG 9 H ARG 9 0.739 13.732 1.357 52 HA ARG 9 HA ARG 9 -0.872 15.942 2.325 53 HB2 ARG 9 HB2 ARG 9 1.090 14.009 3.552 54 HB3 ARG 9 HB3 ARG 9 0.544 15.425 4.476 55 HG2 ARG 9 HG2 ARG 9 -1.500 13.664 3.179 56 HG3 ARG 9 HG3 ARG 9 -0.690 13.111 4.666 57 HD2 ARG 9 HD2 ARG 9 -1.617 14.774 5.955 58 HD3 ARG 9 HD3 ARG 9 -1.789 15.893 4.582 59 HE ARG 9 HE ARG 9 -3.493 13.532 4.393 60 HH11 ARG 9 HH11 ARG 9 -3.146 16.803 5.680 61 HH12 ARG 9 HH12 ARG 9 -4.889 17.071 5.797 62 HH21 ARG 9 HH21 ARG 9 -5.740 13.887 4.547 63 HH22 ARG 9 HH22 ARG 9 -6.351 15.427 5.160 64 H TYR 10 H TYR 10 0.382 17.394 4.085 65 HA TYR 10 HA TYR 10 2.884 18.432 2.877 66 HB2 TYR 10 HB2 TYR 10 2.096 20.678 2.680 67 HB3 TYR 10 HB3 TYR 10 0.897 19.651 1.866 68 HD1 TYR 10 HD1 TYR 10 1.568 21.711 4.851 69 HD2 TYR 10 HD2 TYR 10 -1.337 19.450 2.721 70 HE1 TYR 10 HE1 TYR 10 -0.205 22.683 6.251 71 HE2 TYR 10 HE2 TYR 10 -3.119 20.416 4.112 72 HH TYR 10 HH TYR 10 -3.632 21.791 5.768 73 H ASN 11 H ASN 11 4.061 19.893 4.264 74 HA ASN 11 HA ASN 11 3.269 19.563 7.133 75 HB2 ASN 11 HB2 ASN 11 5.185 18.201 6.852 76 HB3 ASN 11 HB3 ASN 11 5.978 19.384 5.788 77 HD21 ASN 11 HD21 ASN 11 7.639 20.323 6.687 78 HD22 ASN 11 HD22 ASN 11 7.783 20.757 8.426 79 H TYR 12 H TYR 12 3.500 21.287 8.512 80 HA TYR 12 HA TYR 12 3.484 23.898 7.227 81 HB2 TYR 12 HB2 TYR 12 3.300 22.971 10.110 82 HB3 TYR 12 HB3 TYR 12 3.318 24.691 9.662 83 HD1 TYR 12 HD2 TYR 12 1.543 25.350 7.810 84 HD2 TYR 12 HD1 TYR 12 1.256 21.918 10.309 85 HE1 TYR 12 HE2 TYR 12 -0.885 25.278 7.421 86 HE2 TYR 12 HE1 TYR 12 -1.172 21.835 9.927 87 HH TYR 12 HH TYR 12 -2.713 23.110 7.559 88 H THR 13 H THR 13 5.298 24.803 6.532 89 HA THR 13 HA THR 13 7.701 24.590 8.304 90 HB THR 13 HB THR 13 9.100 24.877 6.341 91 HG1 THR 13 HG1 THR 13 8.222 25.904 4.705 92 HG21 THR 13 HG21 THR 13 7.084 22.824 5.459 93 HG22 THR 13 HG22 THR 13 7.991 22.596 6.973 94 HG23 THR 13 HG23 THR 13 8.862 22.750 5.428 95 H GLU 14 H GLU 14 9.265 26.458 8.005 96 HA GLU 14 HA GLU 14 7.668 28.952 8.208 97 HB2 GLU 14 HB2 GLU 14 9.899 27.884 9.617 98 HB3 GLU 14 HB3 GLU 14 10.472 29.331 8.764 99 HG2 GLU 14 HG2 GLU 14 8.543 30.586 9.754 100 HG3 GLU 14 HG3 GLU 14 8.183 29.142 10.731 101 H LEU 15 H LEU 15 8.228 30.869 7.123 102 HA LEU 15 HA LEU 15 9.921 30.404 4.697 103 HB2 LEU 15 HB2 LEU 15 7.274 31.778 5.056 104 HB3 LEU 15 HB3 LEU 15 8.379 32.316 3.773 105 HG LEU 15 HG LEU 15 7.452 29.446 4.030 106 HD11 LEU 15 HD11 LEU 15 6.234 31.572 2.253 107 HD12 LEU 15 HD12 LEU 15 5.528 31.051 3.802 108 HD13 LEU 15 HD13 LEU 15 5.705 29.886 2.469 109 HD21 LEU 15 HD21 LEU 15 8.287 29.169 1.861 110 HD22 LEU 15 HD22 LEU 15 9.519 30.170 2.666 111 HD23 LEU 15 HD23 LEU 15 8.346 30.922 1.556 112 HA PRO 16 HA PRO 16 12.346 33.908 5.772 113 HB2 PRO 16 HB2 PRO 16 12.828 35.034 3.335 114 HB3 PRO 16 HB3 PRO 16 13.576 33.505 3.864 115 HG2 PRO 16 HG2 PRO 16 11.190 33.951 2.080 116 HG3 PRO 16 HG3 PRO 16 12.546 32.796 1.893 117 HD2 PRO 16 HD2 PRO 16 10.110 32.058 2.854 118 HD3 PRO 16 HD3 PRO 16 11.636 31.286 3.391 119 H ASN 17 H ASN 17 9.329 34.312 4.105 120 HA ASN 17 HA ASN 17 9.373 37.238 4.272 121 HB2 ASN 17 HB2 ASN 17 7.073 37.094 3.407 122 HB3 ASN 17 HB3 ASN 17 8.177 36.090 2.441 123 HD21 ASN 17 HD21 ASN 17 5.716 35.479 2.022 124 HD22 ASN 17 HD22 ASN 17 5.204 34.009 2.921 125 H GLY 18 H GLY 18 8.940 34.766 6.480 126 HA2 GLY 18 HA2 GLY 18 8.554 35.374 8.804 127 HA3 GLY 18 HA3 GLY 18 7.432 36.636 8.262 128 H GLU 19 H GLU 19 6.265 34.702 6.251 129 HA GLU 19 HA GLU 19 4.264 33.615 8.099 130 HB2 GLU 19 HB2 GLU 19 4.377 33.192 5.100 131 HB3 GLU 19 HB3 GLU 19 2.957 33.156 6.164 132 HG2 GLU 19 HG2 GLU 19 3.877 35.691 6.581 133 HG3 GLU 19 HG3 GLU 19 4.317 35.427 4.877 134 H TYR 20 H TYR 20 3.361 31.329 7.130 135 HA TYR 20 HA TYR 20 5.635 29.490 7.646 136 HB2 TYR 20 HB2 TYR 20 2.710 29.448 8.115 137 HB3 TYR 20 HB3 TYR 20 3.399 27.901 7.572 138 HD1 TYR 20 HD2 TYR 20 3.476 30.462 10.231 139 HD2 TYR 20 HD1 TYR 20 4.823 26.616 9.006 140 HE1 TYR 20 HE2 TYR 20 4.244 30.006 12.524 141 HE2 TYR 20 HE1 TYR 20 5.593 26.151 11.295 142 HH TYR 20 HH TYR 20 5.428 28.631 13.837 143 H CYS 21 H CYS 21 2.665 29.291 5.639 144 HA CYS 21 HA CYS 21 4.057 29.013 3.165 145 HB2 CYS 21 HB2 CYS 21 3.938 26.657 2.735 146 HB3 CYS 21 HB3 CYS 21 4.764 26.859 4.296 147 H TYR 22 H TYR 22 2.664 28.705 1.382 148 HA TYR 22 HA TYR 22 -0.109 29.434 2.018 149 HB2 TYR 22 HB2 TYR 22 1.544 29.253 -0.502 150 HB3 TYR 22 HB3 TYR 22 -0.226 29.375 -0.601 151 HD1 TYR 22 HD2 TYR 22 -0.879 31.236 1.544 152 HD2 TYR 22 HD1 TYR 22 2.389 31.301 -1.177 153 HE1 TYR 22 HE2 TYR 22 -0.726 33.679 1.793 154 HE2 TYR 22 HE1 TYR 22 2.552 33.743 -0.936 155 HH TYR 22 HH TYR 22 0.193 35.562 1.004 156 H THR 23 H THR 23 -1.723 28.062 2.244 157 HA THR 23 HA THR 23 -1.508 25.288 2.127 158 HB THR 23 HB THR 23 -4.150 25.616 1.474 159 HG1 THR 23 HG1 THR 23 -4.781 27.602 2.530 160 HG21 THR 23 HG21 THR 23 -4.369 26.025 4.072 161 HG22 THR 23 HG22 THR 23 -2.611 25.749 4.049 162 HG23 THR 23 HG23 THR 23 -3.718 24.490 3.447 163 HA PRO 24 HA PRO 24 -1.640 23.956 -2.060 164 HB2 PRO 24 HB2 PRO 24 -3.314 21.805 -1.944 165 HB3 PRO 24 HB3 PRO 24 -1.664 21.792 -1.269 166 HG2 PRO 24 HG2 PRO 24 -4.302 22.197 0.129 167 HG3 PRO 24 HG3 PRO 24 -2.891 21.216 0.632 168 HD2 PRO 24 HD2 PRO 24 -3.402 23.686 1.650 169 HD3 PRO 24 HD3 PRO 24 -1.740 23.052 1.437 170 H ARG 25 H ARG 25 -2.848 23.902 -3.987 171 HA ARG 25 HA ARG 25 -4.547 24.515 -5.404 172 HB2 ARG 25 HB2 ARG 25 -6.472 24.325 -3.068 173 HB3 ARG 25 HB3 ARG 25 -6.819 24.117 -4.797 174 HG2 ARG 25 HG2 ARG 25 -5.603 22.034 -4.846 175 HG3 ARG 25 HG3 ARG 25 -5.070 22.263 -3.162 176 HD2 ARG 25 HD2 ARG 25 -8.000 22.223 -3.852 177 HD3 ARG 25 HD3 ARG 25 -7.095 20.703 -3.675 178 HE ARG 25 HE ARG 25 -7.901 22.555 -1.562 179 HH11 ARG 25 HH11 ARG 25 -5.691 19.984 -2.543 180 HH12 ARG 25 HH12 ARG 25 -5.347 19.480 -0.884 181 HH21 ARG 25 HH21 ARG 25 -7.454 21.900 0.577 182 HH22 ARG 25 HH22 ARG 25 -6.342 20.560 0.874 183 H ARG 26 H ARG 26 -3.142 26.413 -3.456 184 HA ARG 26 HA ARG 26 -5.126 28.643 -3.651 185 HB2 ARG 26 HB2 ARG 26 -3.685 27.750 -1.442 186 HB3 ARG 26 HB3 ARG 26 -2.751 29.151 -2.006 187 HG2 ARG 26 HG2 ARG 26 -5.382 30.032 -2.097 188 HG3 ARG 26 HG3 ARG 26 -5.308 29.037 -0.622 189 HD2 ARG 26 HD2 ARG 26 -3.376 30.314 0.161 190 HD3 ARG 26 HD3 ARG 26 -3.399 31.285 -1.331 191 HE ARG 26 HE ARG 26 -5.045 32.597 -0.406 192 HH11 ARG 26 HH11 ARG 26 -4.963 29.471 1.233 193 HH12 ARG 26 HH12 ARG 26 -6.176 29.933 2.434 194 HH21 ARG 26 HH21 ARG 26 -6.608 33.186 1.145 195 HH22 ARG 26 HH22 ARG 26 -7.104 32.027 2.382 196 H ARG 27 H ARG 27 -4.477 30.656 -4.447 197 HA ARG 27 HA ARG 27 -2.619 30.536 -6.617 198 HB2 ARG 27 HB2 ARG 27 -4.480 32.094 -6.641 199 HB3 ARG 27 HB3 ARG 27 -3.876 32.901 -5.180 200 HG2 ARG 27 HG2 ARG 27 -1.990 33.785 -6.358 201 HG3 ARG 27 HG3 ARG 27 -2.363 32.805 -7.799 202 HD2 ARG 27 HD2 ARG 27 -4.540 34.030 -7.978 203 HD3 ARG 27 HD3 ARG 27 -3.997 35.087 -6.651 204 HE ARG 27 HE ARG 27 -2.136 34.921 -8.902 205 HH11 ARG 27 HH11 ARG 27 -4.943 36.545 -7.507 206 HH12 ARG 27 HH12 ARG 27 -4.691 38.033 -8.428 207 HH21 ARG 27 HH21 ARG 27 -1.819 36.843 -10.087 208 HH22 ARG 27 HH22 ARG 27 -2.931 38.201 -9.882 209 H CYS 28 H CYS 28 -0.496 30.837 -6.746 210 HA CYS 28 HA CYS 28 0.859 32.340 -4.571 211 HB2 CYS 28 HB2 CYS 28 2.632 30.568 -4.460 212 HB3 CYS 28 HB3 CYS 28 1.054 30.046 -3.835 213 H THR 29 H THR 29 3.055 32.989 -5.112 214 HA THR 29 HA THR 29 3.352 33.270 -8.076 215 HB THR 29 HB THR 29 3.027 35.420 -6.990 216 HG1 THR 29 HG1 THR 29 5.043 36.404 -7.648 217 HG21 THR 29 HG21 THR 29 4.935 36.179 -5.399 218 HG22 THR 29 HG22 THR 29 5.218 34.438 -5.164 219 HG23 THR 29 HG23 THR 29 3.639 35.148 -4.748 220 H SER 30 H SER 30 4.789 32.107 -5.142 221 HA SER 30 HA SER 30 7.198 31.322 -6.725 222 HB2 SER 30 HB2 SER 30 7.402 31.955 -3.778 223 HB3 SER 30 HB3 SER 30 8.683 31.920 -5.013 224 HG SER 30 HG SER 30 7.421 34.034 -4.141 225 H ALA 31 H ALA 31 7.934 29.272 -6.445 226 HA ALA 31 HA ALA 31 6.109 27.351 -5.361 227 HB1 ALA 31 HB1 ALA 31 8.937 27.225 -6.384 228 HB2 ALA 31 HB2 ALA 31 8.162 25.796 -5.657 229 HB3 ALA 31 HB3 ALA 31 7.448 26.561 -7.097 230 H ASP 32 H ASP 32 9.049 28.883 -4.106 231 HA ASP 32 HA ASP 32 9.535 27.217 -1.897 232 HB2 ASP 32 HB2 ASP 32 10.818 29.312 -2.793 233 HB3 ASP 32 HB3 ASP 32 9.778 30.221 -1.675 234 H GLN 33 H GLN 33 7.152 29.806 -2.317 235 HA GLN 33 HA GLN 33 6.360 29.906 0.446 236 HB2 GLN 33 HB2 GLN 33 5.013 30.736 -2.139 237 HB3 GLN 33 HB3 GLN 33 4.242 30.954 -0.555 238 HG2 GLN 33 HG2 GLN 33 5.583 32.676 0.018 239 HG3 GLN 33 HG3 GLN 33 7.006 31.980 -0.792 240 HE21 GLN 33 HE21 GLN 33 3.765 32.734 -2.053 241 HE22 GLN 33 HE22 GLN 33 4.337 33.907 -3.290 242 H CYS 34 H CYS 34 5.197 28.094 -2.390 243 HA CYS 34 HA CYS 34 2.859 26.995 -1.313 244 HB2 CYS 34 HB2 CYS 34 3.412 26.636 -3.624 245 HB3 CYS 34 HB3 CYS 34 4.916 25.793 -3.200 246 H CYS 35 H CYS 35 2.377 25.634 0.273 247 HA CYS 35 HA CYS 35 4.227 24.772 2.181 248 HB2 CYS 35 HB2 CYS 35 1.563 23.538 1.391 249 HB3 CYS 35 HB3 CYS 35 2.462 23.114 2.863 250 H ARG 36 H ARG 36 5.586 23.105 2.457 251 HA ARG 36 HA ARG 36 6.105 21.417 0.115 252 HB2 ARG 36 HB2 ARG 36 7.453 21.974 2.736 253 HB3 ARG 36 HB3 ARG 36 7.839 20.456 1.899 254 HG2 ARG 36 HG2 ARG 36 9.472 21.913 1.133 255 HG3 ARG 36 HG3 ARG 36 8.255 21.960 -0.167 256 HD2 ARG 36 HD2 ARG 36 8.864 24.212 0.226 257 HD3 ARG 36 HD3 ARG 36 7.283 23.996 1.013 258 HE ARG 36 HE ARG 36 8.258 24.415 3.062 259 HH11 ARG 36 HH11 ARG 36 10.740 23.674 0.666 260 HH12 ARG 36 HH12 ARG 36 12.078 24.088 1.744 261 HH21 ARG 36 HH21 ARG 36 9.986 24.948 4.448 262 HH22 ARG 36 HH22 ARG 36 11.652 24.807 3.877 263 HA PRO 37 HA PRO 37 4.026 17.746 1.344 264 HB2 PRO 37 HB2 PRO 37 5.809 15.807 0.639 265 HB3 PRO 37 HB3 PRO 37 4.879 16.753 -0.553 266 HG2 PRO 37 HG2 PRO 37 7.719 17.115 0.381 267 HG3 PRO 37 HG3 PRO 37 7.053 17.204 -1.277 268 HD2 PRO 37 HD2 PRO 37 7.609 19.417 0.204 269 HD3 PRO 37 HD3 PRO 37 6.267 19.360 -0.984 270 H TYR 38 H TYR 38 3.838 16.187 2.948 271 HA TYR 38 HA TYR 38 5.117 16.679 5.389 272 HB2 TYR 38 HB2 TYR 38 3.004 15.262 4.815 273 HB3 TYR 38 HB3 TYR 38 4.148 13.911 4.661 274 HD1 TYR 38 HD2 TYR 38 5.714 13.501 6.693 275 HD2 TYR 38 HD1 TYR 38 2.136 15.791 6.903 276 HE1 TYR 38 HE2 TYR 38 5.646 13.159 9.128 277 HE2 TYR 38 HE1 TYR 38 2.057 15.457 9.339 278 HH TYR 38 HH TYR 38 4.572 13.553 11.019 279 H ASP 39 H ASP 39 6.148 14.717 2.680 280 HA ASP 39 HA ASP 39 8.732 14.291 4.072 281 HB2 ASP 39 HB2 ASP 39 6.861 12.134 3.142 282 HB3 ASP 39 HB3 ASP 39 8.608 11.879 2.949 283 H THR 40 H THR 40 10.069 15.360 2.775 284 HA THR 40 HA THR 40 9.646 15.837 0.015 285 HB THR 40 HB THR 40 12.323 16.046 0.123 286 HG1 THR 40 HG1 THR 40 12.889 16.622 2.316 287 HG21 THR 40 HG21 THR 40 10.163 17.770 0.291 288 HG22 THR 40 HG22 THR 40 11.871 18.249 0.145 289 HG23 THR 40 HG23 THR 40 11.104 18.162 1.750 290 H THR 41 H THR 41 10.876 13.051 1.684 291 HA THR 41 HA THR 41 12.216 11.960 -0.686 292 HB THR 41 HB THR 41 13.041 11.454 1.598 293 HG1 THR 41 HG1 THR 41 12.275 9.495 -0.270 294 HG21 THR 41 HG21 THR 41 11.642 10.849 3.231 295 HG22 THR 41 HG22 THR 41 11.209 9.378 2.326 296 HG23 THR 41 HG23 THR 41 10.286 10.879 2.077 297 H ALA 42 H ALA 42 9.031 12.295 0.268 298 HA ALA 42 HA ALA 42 8.248 9.848 -1.269 299 HB1 ALA 42 HB1 ALA 42 7.575 10.400 1.315 300 HB2 ALA 42 HB2 ALA 42 6.194 11.100 0.438 301 HB3 ALA 42 HB3 ALA 42 6.616 9.385 0.212 302 H ALA 43 H ALA 43 7.975 13.307 -0.888 303 HA ALA 43 HA ALA 43 6.638 13.443 -3.511 304 HB1 ALA 43 HB1 ALA 43 4.910 15.047 -2.627 305 HB2 ALA 43 HB2 ALA 43 4.694 13.351 -2.128 306 HB3 ALA 43 HB3 ALA 43 5.373 14.537 -0.986 307 H PHE 44 H PHE 44 6.255 15.888 -4.060 308 HA PHE 44 HA PHE 44 8.555 17.454 -2.975 309 HB2 PHE 44 HB2 PHE 44 8.805 18.350 -5.371 310 HB3 PHE 44 HB3 PHE 44 9.383 16.698 -5.062 311 HD1 PHE 44 HD2 PHE 44 8.224 14.789 -5.985 312 HD2 PHE 44 HD1 PHE 44 6.846 18.745 -6.724 313 HE1 PHE 44 HE2 PHE 44 6.802 13.948 -7.808 314 HE2 PHE 44 HE1 PHE 44 5.419 17.913 -8.548 315 HZ PHE 44 HZ PHE 44 5.398 15.511 -9.093 316 H HIS 45 H HIS 45 8.338 19.797 -4.182 317 HA HIS 45 HA HIS 45 5.487 20.625 -3.883 318 HB2 HIS 45 HB2 HIS 45 6.045 22.464 -2.479 319 HB3 HIS 45 HB3 HIS 45 6.880 21.057 -1.784 320 HD2 HIS 45 HD2 HIS 45 7.679 24.539 -3.221 321 HE1 HIS 45 HE1 HIS 45 11.373 22.600 -2.455 322 HE2 HIS 45 HE2 HIS 45 10.268 24.810 -3.065 323 H GLY 46 H GLY 46 5.176 22.953 -4.652 324 HA2 GLY 46 HA2 GLY 46 6.818 24.435 -6.244 325 HA3 GLY 46 HA3 GLY 46 6.395 23.094 -7.326 326 H CYS 47 H CYS 47 5.793 25.820 -7.815 327 HA CYS 47 HA CYS 47 2.841 25.883 -7.371 328 HB2 CYS 47 HB2 CYS 47 4.932 28.001 -7.837 329 HB3 CYS 47 HB3 CYS 47 3.245 28.322 -8.296 330 H GLY 48 H GLY 48 1.557 25.324 -8.985 331 HA2 GLY 48 HA2 GLY 48 2.029 26.234 -11.689 332 HA3 GLY 48 HA3 GLY 48 2.437 24.517 -11.521 333 H ARG 49 H ARG 49 0.793 23.869 -12.925 334 HA ARG 49 HA ARG 49 -1.898 23.948 -11.640 335 HB2 ARG 49 HB2 ARG 49 -1.351 24.385 -14.602 336 HB3 ARG 49 HB3 ARG 49 -2.954 24.264 -13.845 337 HG2 ARG 49 HG2 ARG 49 -2.841 26.357 -12.935 338 HG3 ARG 49 HG3 ARG 49 -1.063 26.330 -12.810 339 HD2 ARG 49 HD2 ARG 49 -2.676 26.618 -15.364 340 HD3 ARG 49 HD3 ARG 49 -1.822 27.927 -14.511 341 HE ARG 49 HE ARG 49 -0.069 25.718 -15.189 342 HH11 ARG 49 HH11 ARG 49 -1.659 28.622 -16.417 343 HH12 ARG 49 HH12 ARG 49 -0.447 28.903 -17.673 344 HH21 ARG 49 HH21 ARG 49 1.492 26.086 -16.811 345 HH22 ARG 49 HH22 ARG 49 1.329 27.472 -17.894 346 H ILE 50 H ILE 50 -2.020 21.876 -10.992 347 HA ILE 50 HA ILE 50 -1.246 19.757 -12.925 348 HB ILE 50 HB ILE 50 -1.619 18.207 -10.988 349 HG12 ILE 50 HG12 ILE 50 -1.608 20.598 -9.166 350 HG13 ILE 50 HG13 ILE 50 -3.149 20.080 -9.884 351 HG21 ILE 50 HG21 ILE 50 0.321 19.607 -9.613 352 HG22 ILE 50 HG22 ILE 50 0.599 18.517 -10.992 353 HG23 ILE 50 HG23 ILE 50 0.444 20.271 -11.260 354 HD11 ILE 50 HD11 ILE 50 -1.310 18.315 -8.254 355 HD12 ILE 50 HD12 ILE 50 -2.768 19.136 -7.642 356 HD13 ILE 50 HD13 ILE 50 -2.911 17.883 -8.898 357 H TRP 51 H TRP 51 -3.745 21.524 -12.973 358 HA TRP 51 HA TRP 51 -5.572 19.301 -13.592 359 HB2 TRP 51 HB2 TRP 51 -6.176 21.366 -11.447 360 HB3 TRP 51 HB3 TRP 51 -7.437 20.410 -12.258 361 HD1 TRP 51 HD1 TRP 51 -5.377 20.346 -9.251 362 HE1 TRP 51 HE1 TRP 51 -5.296 17.985 -8.173 363 HE3 TRP 51 HE3 TRP 51 -7.242 17.665 -13.183 364 HZ2 TRP 51 HZ2 TRP 51 -5.960 15.350 -8.957 365 HZ3 TRP 51 HZ3 TRP 51 -7.488 15.229 -12.939 366 HH2 TRP 51 HH2 TRP 51 -6.860 14.097 -10.869 367 HA PRO 52 HA PRO 52 -6.866 22.020 -16.794 368 HB2 PRO 52 HB2 PRO 52 -9.471 21.281 -17.111 369 HB3 PRO 52 HB3 PRO 52 -8.101 20.259 -17.622 370 HG2 PRO 52 HG2 PRO 52 -9.780 20.099 -15.127 371 HG3 PRO 52 HG3 PRO 52 -9.203 18.779 -16.193 372 HD2 PRO 52 HD2 PRO 52 -8.000 19.396 -13.831 373 HD3 PRO 52 HD3 PRO 52 -7.093 18.765 -15.245 374 H LYS 53 H LYS 53 -8.933 21.837 -13.905 375 HA LYS 53 HA LYS 53 -10.551 24.098 -14.409 376 HB2 LYS 53 HB2 LYS 53 -9.655 22.603 -11.981 377 HB3 LYS 53 HB3 LYS 53 -10.356 24.212 -11.727 378 HG2 LYS 53 HG2 LYS 53 -12.224 23.239 -13.359 379 HG3 LYS 53 HG3 LYS 53 -11.625 21.698 -12.695 380 HD2 LYS 53 HD2 LYS 53 -13.446 22.435 -11.319 381 HD3 LYS 53 HD3 LYS 53 -11.939 22.660 -10.397 382 HE2 LYS 53 HE2 LYS 53 -11.945 25.010 -10.794 383 HE3 LYS 53 HE3 LYS 53 -13.233 24.866 -12.013 384 HZ1 LYS 53 HZ1 LYS 53 -14.194 25.672 -10.007 385 HZ2 LYS 53 HZ2 LYS 53 -13.483 24.450 -9.078 386 HZ3 LYS 53 HZ3 LYS 53 -14.703 24.068 -10.187 387 H ASP 54 H ASP 54 -7.222 23.838 -13.323 388 HA ASP 54 HA ASP 54 -7.076 26.631 -12.476 389 HB2 ASP 54 HB2 ASP 54 -5.596 24.424 -11.891 390 HB3 ASP 54 HB3 ASP 54 -4.573 25.164 -13.141 391 H LYS 55 H LYS 55 -6.539 24.785 -15.403 392 HA LYS 55 HA LYS 55 -4.921 26.724 -16.763 393 HB2 LYS 55 HB2 LYS 55 -5.826 24.165 -17.288 394 HB3 LYS 55 HB3 LYS 55 -6.739 25.137 -18.458 395 HG2 LYS 55 HG2 LYS 55 -4.877 25.730 -19.638 396 HG3 LYS 55 HG3 LYS 55 -3.810 25.641 -18.215 397 HD2 LYS 55 HD2 LYS 55 -4.109 23.134 -18.275 398 HD3 LYS 55 HD3 LYS 55 -4.935 23.344 -19.840 399 HE2 LYS 55 HE2 LYS 55 -2.763 24.717 -20.437 400 HE3 LYS 55 HE3 LYS 55 -2.054 23.757 -19.116 401 HZ1 LYS 55 HZ1 LYS 55 -2.984 21.759 -20.331 402 HZ2 LYS 55 HZ2 LYS 55 -1.678 22.540 -21.070 403 HZ3 LYS 55 HZ3 LYS 55 -3.248 22.783 -21.652 404 H ARG 56 H ARG 56 -8.443 26.075 -16.774 405 HA ARG 56 HA ARG 56 -9.151 28.073 -18.649 406 HB2 ARG 56 HB2 ARG 56 -11.399 27.950 -17.664 407 HB3 ARG 56 HB3 ARG 56 -10.699 26.332 -17.864 408 HG2 ARG 56 HG2 ARG 56 -10.381 26.046 -15.573 409 HG3 ARG 56 HG3 ARG 56 -10.489 27.792 -15.242 410 HD2 ARG 56 HD2 ARG 56 -12.535 26.928 -14.485 411 HD3 ARG 56 HD3 ARG 56 -12.908 27.620 -16.081 412 HE ARG 56 HE ARG 56 -12.333 25.006 -16.669 413 HH11 ARG 56 HH11 ARG 56 -14.472 26.588 -14.349 414 HH12 ARG 56 HH12 ARG 56 -15.659 25.279 -14.366 415 HH21 ARG 56 HH21 ARG 56 -13.867 23.320 -16.685 416 HH22 ARG 56 HH22 ARG 56 -15.316 23.435 -15.681 417 H GLU 57 H GLU 57 -8.093 28.325 -15.355 418 HA GLU 57 HA GLU 57 -9.075 31.126 -15.184 419 HB2 GLU 57 HB2 GLU 57 -8.101 29.085 -13.217 420 HB3 GLU 57 HB3 GLU 57 -7.867 30.799 -12.825 421 HG2 GLU 57 HG2 GLU 57 -10.551 30.390 -13.765 422 HG3 GLU 57 HG3 GLU 57 -10.182 29.222 -12.474 423 H LYS 58 H LYS 58 -6.237 29.245 -15.803 424 HA LYS 58 HA LYS 58 -4.053 29.828 -16.205 425 HB2 LYS 58 HB2 LYS 58 -5.319 32.530 -16.791 426 HB3 LYS 58 HB3 LYS 58 -3.660 32.071 -17.219 427 HG2 LYS 58 HG2 LYS 58 -6.201 30.781 -18.243 428 HG3 LYS 58 HG3 LYS 58 -5.131 31.883 -19.142 429 HD2 LYS 58 HD2 LYS 58 -4.371 29.156 -18.048 430 HD3 LYS 58 HD3 LYS 58 -4.723 29.541 -19.752 431 HE2 LYS 58 HE2 LYS 58 -2.479 30.722 -18.085 432 HE3 LYS 58 HE3 LYS 58 -2.305 29.446 -19.313 433 HZ1 LYS 58 HZ1 LYS 58 -3.284 31.101 -20.919 434 HZ2 LYS 58 HZ2 LYS 58 -1.730 31.462 -20.356 435 HZ3 LYS 58 HZ3 LYS 58 -3.071 32.286 -19.729 436 H VAL 59 H VAL 59 -4.093 29.540 -13.709 437 HA VAL 59 HA VAL 59 -2.530 31.803 -12.648 438 HB VAL 59 HB VAL 59 -4.757 32.445 -11.933 439 HG11 VAL 59 HG11 VAL 59 -6.232 31.039 -10.695 440 HG12 VAL 59 HG12 VAL 59 -5.710 30.114 -12.125 441 HG13 VAL 59 HG13 VAL 59 -4.992 29.772 -10.530 442 HG21 VAL 59 HG21 VAL 59 -3.984 33.067 -9.932 443 HG22 VAL 59 HG22 VAL 59 -3.968 31.390 -9.337 444 HG23 VAL 59 HG23 VAL 59 -2.575 32.025 -10.246 445 H ASP 60 H ASP 60 -0.775 31.003 -11.734 446 HA ASP 60 HA ASP 60 -0.466 28.187 -11.273 447 HB2 ASP 60 HB2 ASP 60 1.280 30.353 -10.069 448 HB3 ASP 60 HB3 ASP 60 1.741 28.707 -10.551 449 H ARG 61 H ARG 61 -1.095 26.976 -9.630 450 HA ARG 61 HA ARG 61 -1.528 28.343 -7.003 451 HB2 ARG 61 HB2 ARG 61 -3.086 25.993 -8.145 452 HB3 ARG 61 HB3 ARG 61 -3.364 26.773 -6.575 453 HG2 ARG 61 HG2 ARG 61 -3.432 28.655 -8.816 454 HG3 ARG 61 HG3 ARG 61 -4.652 27.363 -8.938 455 HD2 ARG 61 HD2 ARG 61 -4.843 28.054 -6.297 456 HD3 ARG 61 HD3 ARG 61 -4.440 29.617 -7.045 457 HE ARG 61 HE ARG 61 -6.461 28.522 -8.632 458 HH11 ARG 61 HH11 ARG 61 -6.026 29.459 -5.257 459 HH12 ARG 61 HH12 ARG 61 -7.728 29.872 -5.024 460 HH21 ARG 61 HH21 ARG 61 -8.656 29.055 -8.326 461 HH22 ARG 61 HH22 ARG 61 -9.211 29.643 -6.754 462 H CYS 62 H CYS 62 -1.015 27.203 -5.118 463 HA CYS 62 HA CYS 62 1.304 25.578 -5.288 464 HB2 CYS 62 HB2 CYS 62 0.851 26.820 -3.277 465 HB3 CYS 62 HB3 CYS 62 -0.706 25.995 -3.049 466 H TYR 63 H TYR 63 1.689 23.429 -5.309 467 HA TYR 63 HA TYR 63 -0.590 21.575 -4.943 468 HB2 TYR 63 HB2 TYR 63 -0.343 20.488 -7.055 469 HB3 TYR 63 HB3 TYR 63 -0.454 22.229 -7.399 470 HD1 TYR 63 HD2 TYR 63 1.761 19.295 -7.370 471 HD2 TYR 63 HD1 TYR 63 1.455 23.445 -8.255 472 HE1 TYR 63 HE2 TYR 63 3.870 19.176 -8.627 473 HE2 TYR 63 HE1 TYR 63 3.564 23.338 -9.517 474 HH TYR 63 HH TYR 63 5.372 20.271 -9.825 475 H ILE 64 H ILE 64 0.065 19.330 -4.748 476 HA ILE 64 HA ILE 64 2.969 18.919 -4.299 477 HB ILE 64 HB ILE 64 0.859 18.347 -2.190 478 HG12 ILE 64 HG12 ILE 64 3.261 20.219 -2.156 479 HG13 ILE 64 HG13 ILE 64 1.567 20.726 -2.341 480 HG21 ILE 64 HG21 ILE 64 3.434 17.142 -2.716 481 HG22 ILE 64 HG22 ILE 64 3.445 17.978 -1.146 482 HG23 ILE 64 HG23 ILE 64 2.220 16.730 -1.481 483 HD11 ILE 64 HD11 ILE 64 1.808 19.082 -0.005 484 HD12 ILE 64 HD12 ILE 64 3.039 20.367 0.039 485 HD13 ILE 64 HD13 ILE 64 1.320 20.787 -0.142 486 H CYS 65 H CYS 65 3.506 17.192 -5.433 487 HA CYS 65 HA CYS 65 1.528 14.948 -5.541 488 HB2 CYS 65 HB2 CYS 65 3.503 15.865 -7.665 489 HB3 CYS 65 HB3 CYS 65 2.519 14.389 -7.768 490 H ASN 66 H ASN 66 2.397 12.799 -5.683 491 HA ASN 66 HA ASN 66 4.657 12.456 -3.903 492 HB2 ASN 66 HB2 ASN 66 4.276 10.047 -4.249 493 HB3 ASN 66 HB3 ASN 66 2.747 10.893 -3.924 494 HD21 ASN 66 HD21 ASN 66 2.749 8.403 -5.039 495 HD22 ASN 66 HD22 ASN 66 2.223 8.523 -6.755 496 H ASN 67 H ASN 67 6.489 10.963 -4.430 497 HA ASN 67 HA ASN 67 8.039 12.056 -6.530 498 HB2 ASN 67 HB2 ASN 67 8.256 9.665 -4.732 499 HB3 ASN 67 HB3 ASN 67 9.330 9.739 -6.148 500 HD21 ASN 67 HD21 ASN 67 10.247 9.737 -3.520 501 HD22 ASN 67 HD22 ASN 67 10.996 11.338 -3.188 502 H GLU 68 H GLU 68 5.780 9.372 -6.468 503 HA GLU 68 HA GLU 68 6.676 8.281 -9.022 504 HB2 GLU 68 HB2 GLU 68 4.002 7.797 -7.676 505 HB3 GLU 68 HB3 GLU 68 4.865 6.739 -8.809 506 HG2 GLU 68 HG2 GLU 68 6.714 6.758 -6.943 507 HG3 GLU 68 HG3 GLU 68 5.354 7.230 -5.897 508 H LYS 69 H LYS 69 4.914 11.001 -8.108 509 HA LYS 69 HA LYS 69 3.559 12.463 -9.250 510 HB2 LYS 69 HB2 LYS 69 5.154 11.179 -11.467 511 HB3 LYS 69 HB3 LYS 69 3.895 12.370 -11.847 512 HG2 LYS 69 HG2 LYS 69 5.041 13.981 -10.323 513 HG3 LYS 69 HG3 LYS 69 6.354 12.792 -10.135 514 HD2 LYS 69 HD2 LYS 69 6.836 12.878 -12.506 515 HD3 LYS 69 HD3 LYS 69 5.434 13.940 -12.787 516 HE2 LYS 69 HE2 LYS 69 7.542 14.787 -10.828 517 HE3 LYS 69 HE3 LYS 69 7.876 14.923 -12.571 518 HZ1 LYS 69 HZ1 LYS 69 5.402 15.992 -12.352 519 HZ2 LYS 69 HZ2 LYS 69 6.841 16.882 -12.384 520 HZ3 LYS 69 HZ3 LYS 69 6.118 16.495 -10.905 521 H THR 70 H THR 70 2.562 9.728 -8.634 522 HA THR 70 HA THR 70 0.626 9.322 -10.852 523 HB THR 70 HB THR 70 0.042 7.227 -9.775 524 HG1 THR 70 HG1 THR 70 0.185 7.325 -7.641 525 HG21 THR 70 HG21 THR 70 2.880 6.826 -9.365 526 HG22 THR 70 HG22 THR 70 2.598 7.856 -10.789 527 HG23 THR 70 HG23 THR 70 1.836 6.251 -10.688 528 H LEU 71 H LEU 71 0.816 10.149 -7.405 529 HA LEU 71 HA LEU 71 -2.114 10.750 -7.498 530 HB2 LEU 71 HB2 LEU 71 -0.969 9.033 -5.817 531 HB3 LEU 71 HB3 LEU 71 -0.626 10.526 -4.915 532 HG LEU 71 HG LEU 71 -3.435 10.040 -5.813 533 HD11 LEU 71 HD11 LEU 71 -3.313 7.951 -4.919 534 HD12 LEU 71 HD12 LEU 71 -3.563 8.873 -3.415 535 HD13 LEU 71 HD13 LEU 71 -1.926 8.353 -3.879 536 HD21 LEU 71 HD21 LEU 71 -2.690 12.118 -4.647 537 HD22 LEU 71 HD22 LEU 71 -2.263 11.121 -3.236 538 HD23 LEU 71 HD23 LEU 71 -3.957 11.217 -3.777 539 H CYS 72 H CYS 72 -2.831 12.754 -7.036 540 HA CYS 72 HA CYS 72 -0.897 14.706 -5.909 541 HB2 CYS 72 HB2 CYS 72 -2.431 15.095 -8.507 542 HB3 CYS 72 HB3 CYS 72 -1.548 16.376 -7.652 543 H THR 73 H THR 73 -1.938 16.751 -5.252 544 HA THR 73 HA THR 73 -4.194 16.263 -3.628 545 HB THR 73 HB THR 73 -4.358 18.953 -3.923 546 HG1 THR 73 HG1 THR 73 -2.178 19.699 -4.312 547 HG21 THR 73 HG21 THR 73 -3.645 17.384 -1.945 548 HG22 THR 73 HG22 THR 73 -3.168 19.098 -1.935 549 HG23 THR 73 HG23 THR 73 -1.997 17.849 -2.422 550 H SER 74 H SER 74 -6.343 16.355 -3.881 551 HA SER 74 HA SER 74 -7.514 16.204 -6.431 552 HB2 SER 74 HB2 SER 74 -8.543 15.502 -4.227 553 HB3 SER 74 HB3 SER 74 -8.910 17.217 -3.926 554 HG SER 74 HG SER 74 -10.681 16.081 -4.886 555 H VAL 75 H VAL 75 -8.781 17.610 -7.680 556 HA VAL 75 HA VAL 75 -7.716 20.235 -7.959 557 HB VAL 75 HB VAL 75 -8.849 18.941 -9.772 558 HG11 VAL 75 HG11 VAL 75 -11.009 18.325 -9.708 559 HG12 VAL 75 HG12 VAL 75 -10.893 18.638 -7.957 560 HG13 VAL 75 HG13 VAL 75 -11.534 19.892 -9.047 561 HG21 VAL 75 HG21 VAL 75 -9.315 20.842 -10.916 562 HG22 VAL 75 HG22 VAL 75 -10.408 21.464 -9.656 563 HG23 VAL 75 HG23 VAL 75 -8.647 21.619 -9.459 564 H MET 76 H MET 76 -10.304 18.956 -5.999 565 HA MET 76 HA MET 76 -10.964 21.759 -5.180 566 HB2 MET 76 HB2 MET 76 -13.219 20.946 -4.596 567 HB3 MET 76 HB3 MET 76 -12.860 20.706 -6.319 568 HG2 MET 76 HG2 MET 76 -12.203 18.324 -5.694 569 HG3 MET 76 HG3 MET 76 -12.962 18.649 -4.118 570 HE1 MET 76 HE1 MET 76 -15.995 16.813 -4.993 571 HE2 MET 76 HE2 MET 76 -14.474 16.948 -4.078 572 HE3 MET 76 HE3 MET 76 -15.765 18.150 -3.840 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 3.615 0.521 1.144 2 H2 GLY 1 H2 GLY 1 4.027 1.733 0.028 3 H3 GLY 1 H3 GLY 1 2.512 1.762 0.793 4 HA2 GLY 1 HA2 GLY 1 3.472 -0.302 -1.073 5 HA3 GLY 1 HA3 GLY 1 1.890 -0.269 -0.273 6 H THR 2 H THR 2 0.245 0.792 -1.197 7 HA THR 2 HA THR 2 0.773 2.009 -3.822 8 HB THR 2 HB THR 2 -1.866 2.331 -3.595 9 HG1 THR 2 HG1 THR 2 -2.710 0.582 -2.294 10 HG21 THR 2 HG21 THR 2 -1.900 -0.312 -4.170 11 HG22 THR 2 HG22 THR 2 -0.160 0.020 -4.359 12 HG23 THR 2 HG23 THR 2 -1.352 0.936 -5.316 13 HA PRO 3 HA PRO 3 0.526 6.245 -2.675 14 HB2 PRO 3 HB2 PRO 3 -0.919 7.310 -4.729 15 HB3 PRO 3 HB3 PRO 3 0.767 6.754 -4.910 16 HG2 PRO 3 HG2 PRO 3 -1.800 5.354 -5.634 17 HG3 PRO 3 HG3 PRO 3 -0.271 5.466 -6.558 18 HD2 PRO 3 HD2 PRO 3 -0.951 3.269 -5.104 19 HD3 PRO 3 HD3 PRO 3 0.748 3.797 -5.323 20 H SER 4 H SER 4 -0.688 7.630 -1.488 21 HA SER 4 HA SER 4 -3.637 7.353 -1.571 22 HB2 SER 4 HB2 SER 4 -1.930 6.910 0.905 23 HB3 SER 4 HB3 SER 4 -3.667 7.288 0.976 24 HG SER 4 HG SER 4 -3.246 5.014 1.026 25 H ALA 5 H ALA 5 -4.664 9.017 -0.032 26 HA ALA 5 HA ALA 5 -3.859 11.592 -0.859 27 HB1 ALA 5 HB1 ALA 5 -5.801 12.172 0.065 28 HB2 ALA 5 HB2 ALA 5 -5.977 10.481 0.594 29 HB3 ALA 5 HB3 ALA 5 -5.247 11.682 1.685 30 H ASP 6 H ASP 6 -2.720 9.600 1.755 31 HA ASP 6 HA ASP 6 -1.637 11.720 3.379 32 HB2 ASP 6 HB2 ASP 6 -2.079 9.208 3.950 33 HB3 ASP 6 HB3 ASP 6 -0.464 8.938 3.259 34 H GLN 7 H GLN 7 -0.590 10.102 0.478 35 HA GLN 7 HA GLN 7 2.214 10.798 0.757 36 HB2 GLN 7 HB2 GLN 7 0.477 9.812 -1.512 37 HB3 GLN 7 HB3 GLN 7 2.156 10.314 -1.799 38 HG2 GLN 7 HG2 GLN 7 1.591 8.356 0.389 39 HG3 GLN 7 HG3 GLN 7 1.530 7.804 -1.301 40 HE21 GLN 7 HE21 GLN 7 3.437 7.925 1.318 41 HE22 GLN 7 HE22 GLN 7 5.051 8.002 0.528 42 H VAL 8 H VAL 8 -0.658 12.331 -0.575 43 HA VAL 8 HA VAL 8 0.969 14.466 -1.816 44 HB VAL 8 HB VAL 8 -1.228 15.397 -2.531 45 HG11 VAL 8 HG11 VAL 8 -0.859 12.458 -3.189 46 HG12 VAL 8 HG12 VAL 8 -1.728 13.663 -4.169 47 HG13 VAL 8 HG13 VAL 8 0.032 13.804 -3.939 48 HG21 VAL 8 HG21 VAL 8 -2.422 12.872 -1.354 49 HG22 VAL 8 HG22 VAL 8 -2.498 14.467 -0.567 50 HG23 VAL 8 HG23 VAL 8 -3.277 14.218 -2.147 51 H ARG 9 H ARG 9 0.456 13.849 1.222 52 HA ARG 9 HA ARG 9 -0.934 16.167 2.215 53 HB2 ARG 9 HB2 ARG 9 0.903 14.095 3.406 54 HB3 ARG 9 HB3 ARG 9 0.464 15.531 4.351 55 HG2 ARG 9 HG2 ARG 9 -1.627 13.784 3.062 56 HG3 ARG 9 HG3 ARG 9 -0.936 13.408 4.660 57 HD2 ARG 9 HD2 ARG 9 -1.659 15.568 5.515 58 HD3 ARG 9 HD3 ARG 9 -2.265 16.029 3.906 59 HE ARG 9 HE ARG 9 -3.574 13.646 4.561 60 HH11 ARG 9 HH11 ARG 9 -3.266 16.903 5.888 61 HH12 ARG 9 HH12 ARG 9 -4.877 16.890 6.615 62 HH21 ARG 9 HH21 ARG 9 -5.650 13.635 5.503 63 HH22 ARG 9 HH22 ARG 9 -6.220 15.047 6.399 64 H TYR 10 H TYR 10 0.424 17.507 3.993 65 HA TYR 10 HA TYR 10 2.994 18.387 2.817 66 HB2 TYR 10 HB2 TYR 10 2.361 20.675 2.568 67 HB3 TYR 10 HB3 TYR 10 1.104 19.721 1.752 68 HD1 TYR 10 HD1 TYR 10 1.878 21.799 4.695 69 HD2 TYR 10 HD2 TYR 10 -1.150 19.666 2.600 70 HE1 TYR 10 HE1 TYR 10 0.158 22.916 6.053 71 HE2 TYR 10 HE2 TYR 10 -2.877 20.778 3.950 72 HH TYR 10 HH TYR 10 -2.070 22.731 6.732 73 H ASN 11 H ASN 11 4.167 19.904 4.214 74 HA ASN 11 HA ASN 11 3.347 19.543 7.071 75 HB2 ASN 11 HB2 ASN 11 5.284 18.208 6.782 76 HB3 ASN 11 HB3 ASN 11 6.072 19.424 5.752 77 HD21 ASN 11 HD21 ASN 11 7.688 20.411 6.681 78 HD22 ASN 11 HD22 ASN 11 7.813 20.799 8.432 79 H TYR 12 H TYR 12 3.546 21.254 8.473 80 HA TYR 12 HA TYR 12 3.500 23.879 7.219 81 HB2 TYR 12 HB2 TYR 12 3.307 22.908 10.086 82 HB3 TYR 12 HB3 TYR 12 3.318 24.636 9.668 83 HD1 TYR 12 HD2 TYR 12 1.552 25.324 7.824 84 HD2 TYR 12 HD1 TYR 12 1.268 21.836 10.241 85 HE1 TYR 12 HE2 TYR 12 -0.872 25.247 7.416 86 HE2 TYR 12 HE1 TYR 12 -1.156 21.747 9.840 87 HH TYR 12 HH TYR 12 -2.815 24.303 8.010 88 H THR 13 H THR 13 5.286 24.863 6.573 89 HA THR 13 HA THR 13 7.689 24.650 8.347 90 HB THR 13 HB THR 13 9.098 24.975 6.400 91 HG1 THR 13 HG1 THR 13 8.110 25.080 4.286 92 HG21 THR 13 HG21 THR 13 7.448 22.712 6.830 93 HG22 THR 13 HG22 THR 13 9.031 22.774 6.018 94 HG23 THR 13 HG23 THR 13 7.535 22.955 5.069 95 H GLU 14 H GLU 14 9.219 26.544 8.095 96 HA GLU 14 HA GLU 14 7.579 29.012 8.294 97 HB2 GLU 14 HB2 GLU 14 9.807 27.964 9.729 98 HB3 GLU 14 HB3 GLU 14 10.361 29.438 8.911 99 HG2 GLU 14 HG2 GLU 14 8.343 30.605 9.882 100 HG3 GLU 14 HG3 GLU 14 8.077 29.146 10.866 101 H LEU 15 H LEU 15 8.096 30.933 7.216 102 HA LEU 15 HA LEU 15 9.845 30.519 4.822 103 HB2 LEU 15 HB2 LEU 15 7.183 31.868 5.165 104 HB3 LEU 15 HB3 LEU 15 8.301 32.433 3.902 105 HG LEU 15 HG LEU 15 7.405 29.551 4.107 106 HD11 LEU 15 HD11 LEU 15 6.160 31.714 2.392 107 HD12 LEU 15 HD12 LEU 15 5.446 31.089 3.898 108 HD13 LEU 15 HD13 LEU 15 5.676 30.004 2.507 109 HD21 LEU 15 HD21 LEU 15 8.305 31.092 1.673 110 HD22 LEU 15 HD22 LEU 15 8.238 29.332 1.924 111 HD23 LEU 15 HD23 LEU 15 9.466 30.304 2.769 112 HA PRO 16 HA PRO 16 12.232 34.026 5.971 113 HB2 PRO 16 HB2 PRO 16 12.739 35.183 3.553 114 HB3 PRO 16 HB3 PRO 16 13.490 33.653 4.075 115 HG2 PRO 16 HG2 PRO 16 11.127 34.103 2.264 116 HG3 PRO 16 HG3 PRO 16 12.494 32.961 2.082 117 HD2 PRO 16 HD2 PRO 16 10.050 32.195 3.001 118 HD3 PRO 16 HD3 PRO 16 11.573 31.429 3.549 119 H ASN 17 H ASN 17 9.225 34.422 4.290 120 HA ASN 17 HA ASN 17 9.249 37.350 4.486 121 HB2 ASN 17 HB2 ASN 17 6.976 37.208 3.570 122 HB3 ASN 17 HB3 ASN 17 8.093 36.203 2.621 123 HD21 ASN 17 HD21 ASN 17 5.571 35.665 2.223 124 HD22 ASN 17 HD22 ASN 17 5.062 34.171 3.084 125 H GLY 18 H GLY 18 8.807 34.848 6.653 126 HA2 GLY 18 HA2 GLY 18 8.380 35.423 8.978 127 HA3 GLY 18 HA3 GLY 18 7.253 36.679 8.435 128 H GLU 19 H GLU 19 6.139 34.755 6.382 129 HA GLU 19 HA GLU 19 4.124 33.621 8.188 130 HB2 GLU 19 HB2 GLU 19 4.270 33.240 5.186 131 HB3 GLU 19 HB3 GLU 19 2.841 33.193 6.237 132 HG2 GLU 19 HG2 GLU 19 3.709 35.719 6.700 133 HG3 GLU 19 HG3 GLU 19 4.245 35.489 5.019 134 H TYR 20 H TYR 20 3.256 31.342 7.229 135 HA TYR 20 HA TYR 20 5.541 29.520 7.727 136 HB2 TYR 20 HB2 TYR 20 2.602 29.429 8.121 137 HB3 TYR 20 HB3 TYR 20 3.338 27.900 7.594 138 HD1 TYR 20 HD2 TYR 20 3.254 30.436 10.270 139 HD2 TYR 20 HD1 TYR 20 4.777 26.653 9.056 140 HE1 TYR 20 HE2 TYR 20 3.965 29.986 12.581 141 HE2 TYR 20 HE1 TYR 20 5.491 26.193 11.364 142 HH TYR 20 HH TYR 20 5.156 28.641 13.921 143 H CYS 21 H CYS 21 2.614 29.320 5.659 144 HA CYS 21 HA CYS 21 4.061 29.096 3.209 145 HB2 CYS 21 HB2 CYS 21 3.962 26.744 2.740 146 HB3 CYS 21 HB3 CYS 21 4.761 26.929 4.316 147 H TYR 22 H TYR 22 2.693 28.601 1.379 148 HA TYR 22 HA TYR 22 -0.093 29.385 1.962 149 HB2 TYR 22 HB2 TYR 22 1.606 29.204 -0.529 150 HB3 TYR 22 HB3 TYR 22 -0.163 29.332 -0.654 151 HD1 TYR 22 HD2 TYR 22 -0.865 31.199 1.453 152 HD2 TYR 22 HD1 TYR 22 2.488 31.246 -1.164 153 HE1 TYR 22 HE2 TYR 22 -0.712 33.641 1.703 154 HE2 TYR 22 HE1 TYR 22 2.653 33.688 -0.919 155 HH TYR 22 HH TYR 22 0.239 35.519 0.941 156 H THR 23 H THR 23 -1.681 27.983 2.192 157 HA THR 23 HA THR 23 -1.434 25.214 2.057 158 HB THR 23 HB THR 23 -4.057 25.430 1.454 159 HG1 THR 23 HG1 THR 23 -4.786 27.468 2.331 160 HG21 THR 23 HG21 THR 23 -4.194 26.171 4.047 161 HG22 THR 23 HG22 THR 23 -2.474 25.723 3.955 162 HG23 THR 23 HG23 THR 23 -3.728 24.536 3.521 163 HA PRO 24 HA PRO 24 -1.525 23.908 -2.139 164 HB2 PRO 24 HB2 PRO 24 -3.162 21.729 -2.042 165 HB3 PRO 24 HB3 PRO 24 -1.515 21.738 -1.360 166 HG2 PRO 24 HG2 PRO 24 -4.164 22.090 0.031 167 HG3 PRO 24 HG3 PRO 24 -2.739 21.131 0.532 168 HD2 PRO 24 HD2 PRO 24 -3.293 23.587 1.564 169 HD3 PRO 24 HD3 PRO 24 -1.621 22.982 1.351 170 H ARG 25 H ARG 25 -2.730 23.831 -4.070 171 HA ARG 25 HA ARG 25 -4.432 24.430 -5.490 172 HB2 ARG 25 HB2 ARG 25 -6.353 24.179 -3.157 173 HB3 ARG 25 HB3 ARG 25 -6.703 23.998 -4.887 174 HG2 ARG 25 HG2 ARG 25 -5.481 21.930 -4.983 175 HG3 ARG 25 HG3 ARG 25 -4.906 22.142 -3.311 176 HD2 ARG 25 HD2 ARG 25 -7.562 22.310 -2.897 177 HD3 ARG 25 HD3 ARG 25 -7.556 21.265 -4.337 178 HE ARG 25 HE ARG 25 -5.658 20.157 -2.633 179 HH11 ARG 25 HH11 ARG 25 -9.092 20.959 -2.482 180 HH12 ARG 25 HH12 ARG 25 -9.473 19.652 -1.355 181 HH21 ARG 25 HH21 ARG 25 -6.154 18.472 -1.179 182 HH22 ARG 25 HH22 ARG 25 -7.817 18.251 -0.621 183 H ARG 26 H ARG 26 -3.052 26.347 -3.569 184 HA ARG 26 HA ARG 26 -5.084 28.537 -3.720 185 HB2 ARG 26 HB2 ARG 26 -3.607 27.670 -1.535 186 HB3 ARG 26 HB3 ARG 26 -2.683 29.072 -2.113 187 HG2 ARG 26 HG2 ARG 26 -5.273 29.999 -2.179 188 HG3 ARG 26 HG3 ARG 26 -5.273 28.939 -0.747 189 HD2 ARG 26 HD2 ARG 26 -2.893 30.646 -0.952 190 HD3 ARG 26 HD3 ARG 26 -4.415 31.560 -0.823 191 HE ARG 26 HE ARG 26 -3.133 29.936 1.237 192 HH11 ARG 26 HH11 ARG 26 -6.158 31.318 0.051 193 HH12 ARG 26 HH12 ARG 26 -6.929 31.305 1.641 194 HH21 ARG 26 HH21 ARG 26 -4.134 29.921 3.285 195 HH22 ARG 26 HH22 ARG 26 -5.788 30.517 3.464 196 H ARG 27 H ARG 27 -4.498 30.559 -4.532 197 HA ARG 27 HA ARG 27 -2.636 30.472 -6.711 198 HB2 ARG 27 HB2 ARG 27 -4.512 31.949 -6.861 199 HB3 ARG 27 HB3 ARG 27 -4.094 32.744 -5.329 200 HG2 ARG 27 HG2 ARG 27 -2.274 33.885 -6.289 201 HG3 ARG 27 HG3 ARG 27 -2.266 32.834 -7.727 202 HD2 ARG 27 HD2 ARG 27 -3.522 34.363 -8.755 203 HD3 ARG 27 HD3 ARG 27 -4.840 33.942 -7.635 204 HE ARG 27 HE ARG 27 -3.153 36.334 -7.587 205 HH11 ARG 27 HH11 ARG 27 -5.294 34.191 -5.775 206 HH12 ARG 27 HH12 ARG 27 -5.721 35.425 -4.584 207 HH21 ARG 27 HH21 ARG 27 -3.707 37.922 -6.047 208 HH22 ARG 27 HH22 ARG 27 -4.827 37.527 -4.739 209 H CYS 28 H CYS 28 -0.507 30.626 -6.702 210 HA CYS 28 HA CYS 28 0.758 32.292 -4.572 211 HB2 CYS 28 HB2 CYS 28 2.605 30.604 -4.457 212 HB3 CYS 28 HB3 CYS 28 1.045 29.993 -3.866 213 H THR 29 H THR 29 3.121 32.737 -5.106 214 HA THR 29 HA THR 29 3.324 33.226 -8.052 215 HB THR 29 HB THR 29 3.033 35.326 -6.842 216 HG1 THR 29 HG1 THR 29 5.020 36.332 -7.548 217 HG21 THR 29 HG21 THR 29 4.584 36.085 -5.147 218 HG22 THR 29 HG22 THR 29 5.565 34.611 -5.327 219 HG23 THR 29 HG23 THR 29 3.920 34.511 -4.652 220 H SER 30 H SER 30 4.869 32.079 -5.132 221 HA SER 30 HA SER 30 7.180 31.207 -6.815 222 HB2 SER 30 HB2 SER 30 7.536 31.965 -3.907 223 HB3 SER 30 HB3 SER 30 8.762 31.830 -5.191 224 HG SER 30 HG SER 30 8.251 34.025 -4.671 225 H ALA 31 H ALA 31 7.944 29.169 -6.468 226 HA ALA 31 HA ALA 31 6.156 27.290 -5.262 227 HB1 ALA 31 HB1 ALA 31 8.149 25.706 -5.560 228 HB2 ALA 31 HB2 ALA 31 7.497 26.490 -7.020 229 HB3 ALA 31 HB3 ALA 31 8.995 27.100 -6.274 230 H ASP 32 H ASP 32 9.054 28.949 -4.105 231 HA ASP 32 HA ASP 32 9.653 27.372 -1.859 232 HB2 ASP 32 HB2 ASP 32 10.580 29.740 -2.896 233 HB3 ASP 32 HB3 ASP 32 9.803 30.293 -1.397 234 H GLN 33 H GLN 33 7.116 29.793 -2.325 235 HA GLN 33 HA GLN 33 6.364 29.895 0.465 236 HB2 GLN 33 HB2 GLN 33 4.825 30.634 -2.052 237 HB3 GLN 33 HB3 GLN 33 4.307 31.012 -0.397 238 HG2 GLN 33 HG2 GLN 33 5.897 32.638 -0.117 239 HG3 GLN 33 HG3 GLN 33 7.022 31.895 -1.279 240 HE21 GLN 33 HE21 GLN 33 7.400 33.694 -2.482 241 HE22 GLN 33 HE22 GLN 33 6.134 34.472 -3.495 242 H CYS 34 H CYS 34 5.232 28.080 -2.382 243 HA CYS 34 HA CYS 34 2.926 26.917 -1.306 244 HB2 CYS 34 HB2 CYS 34 3.475 26.588 -3.621 245 HB3 CYS 34 HB3 CYS 34 5.004 25.785 -3.210 246 H CYS 35 H CYS 35 2.494 25.575 0.304 247 HA CYS 35 HA CYS 35 4.394 24.720 2.169 248 HB2 CYS 35 HB2 CYS 35 1.746 23.392 1.465 249 HB3 CYS 35 HB3 CYS 35 2.663 23.132 2.965 250 H ARG 36 H ARG 36 5.702 22.998 2.462 251 HA ARG 36 HA ARG 36 6.237 21.358 0.096 252 HB2 ARG 36 HB2 ARG 36 7.531 21.817 2.761 253 HB3 ARG 36 HB3 ARG 36 7.903 20.311 1.899 254 HG2 ARG 36 HG2 ARG 36 8.921 21.424 0.127 255 HG3 ARG 36 HG3 ARG 36 8.117 22.969 0.507 256 HD2 ARG 36 HD2 ARG 36 10.390 23.205 1.165 257 HD3 ARG 36 HD3 ARG 36 9.445 22.996 2.660 258 HE ARG 36 HE ARG 36 10.432 20.469 1.680 259 HH11 ARG 36 HH11 ARG 36 11.365 23.425 3.368 260 HH12 ARG 36 HH12 ARG 36 12.682 22.648 4.255 261 HH21 ARG 36 HH21 ARG 36 12.132 19.472 2.827 262 HH22 ARG 36 HH22 ARG 36 13.115 20.419 3.949 263 HA PRO 37 HA PRO 37 4.052 17.700 1.168 264 HB2 PRO 37 HB2 PRO 37 5.813 15.743 0.451 265 HB3 PRO 37 HB3 PRO 37 4.932 16.741 -0.736 266 HG2 PRO 37 HG2 PRO 37 7.755 17.017 0.279 267 HG3 PRO 37 HG3 PRO 37 7.131 17.166 -1.393 268 HD2 PRO 37 HD2 PRO 37 7.697 19.326 0.163 269 HD3 PRO 37 HD3 PRO 37 6.385 19.328 -1.057 270 H TYR 38 H TYR 38 3.782 16.123 2.734 271 HA TYR 38 HA TYR 38 5.074 16.516 5.203 272 HB2 TYR 38 HB2 TYR 38 2.859 15.291 4.646 273 HB3 TYR 38 HB3 TYR 38 3.877 13.854 4.399 274 HD1 TYR 38 HD2 TYR 38 5.433 13.196 6.363 275 HD2 TYR 38 HD1 TYR 38 2.107 15.816 6.783 276 HE1 TYR 38 HE2 TYR 38 5.389 12.744 8.781 277 HE2 TYR 38 HE1 TYR 38 2.055 15.372 9.202 278 HH TYR 38 HH TYR 38 4.296 13.036 10.695 279 H ASP 39 H ASP 39 5.999 14.582 2.448 280 HA ASP 39 HA ASP 39 8.496 13.869 3.890 281 HB2 ASP 39 HB2 ASP 39 6.565 11.932 2.601 282 HB3 ASP 39 HB3 ASP 39 8.302 11.562 2.685 283 H THR 40 H THR 40 9.743 15.229 2.696 284 HA THR 40 HA THR 40 9.499 15.713 -0.074 285 HB THR 40 HB THR 40 12.114 16.125 0.180 286 HG1 THR 40 HG1 THR 40 12.588 16.582 2.422 287 HG21 THR 40 HG21 THR 40 10.570 17.980 1.907 288 HG22 THR 40 HG22 THR 40 9.909 17.699 0.278 289 HG23 THR 40 HG23 THR 40 11.571 18.310 0.472 290 H THR 41 H THR 41 10.925 13.029 1.661 291 HA THR 41 HA THR 41 12.502 12.048 -0.560 292 HB THR 41 HB THR 41 13.077 11.393 1.710 293 HG1 THR 41 HG1 THR 41 12.458 9.557 -0.276 294 HG21 THR 41 HG21 THR 41 10.279 10.245 1.738 295 HG22 THR 41 HG22 THR 41 11.024 11.386 2.882 296 HG23 THR 41 HG23 THR 41 11.544 9.683 2.857 297 H ALA 42 H ALA 42 9.158 12.015 0.198 298 HA ALA 42 HA ALA 42 8.739 9.993 -1.963 299 HB1 ALA 42 HB1 ALA 42 7.614 8.650 -0.593 300 HB2 ALA 42 HB2 ALA 42 8.016 9.726 0.768 301 HB3 ALA 42 HB3 ALA 42 6.515 9.980 -0.155 302 H ALA 43 H ALA 43 8.795 13.017 -1.802 303 HA ALA 43 HA ALA 43 6.652 13.506 -3.601 304 HB1 ALA 43 HB1 ALA 43 5.403 15.137 -1.985 305 HB2 ALA 43 HB2 ALA 43 5.016 13.399 -1.968 306 HB3 ALA 43 HB3 ALA 43 6.073 14.089 -0.712 307 H PHE 44 H PHE 44 6.354 15.874 -4.051 308 HA PHE 44 HA PHE 44 8.689 17.479 -3.139 309 HB2 PHE 44 HB2 PHE 44 9.012 18.256 -5.521 310 HB3 PHE 44 HB3 PHE 44 9.452 16.558 -5.229 311 HD1 PHE 44 HD2 PHE 44 7.946 14.753 -6.007 312 HD2 PHE 44 HD1 PHE 44 7.277 18.831 -7.020 313 HE1 PHE 44 HE2 PHE 44 6.453 14.051 -7.832 314 HE2 PHE 44 HE1 PHE 44 5.783 18.138 -8.847 315 HZ PHE 44 HZ PHE 44 5.369 15.743 -9.256 316 H HIS 45 H HIS 45 8.482 19.805 -4.020 317 HA HIS 45 HA HIS 45 5.592 20.576 -3.904 318 HB2 HIS 45 HB2 HIS 45 6.117 22.441 -2.522 319 HB3 HIS 45 HB3 HIS 45 6.973 21.058 -1.807 320 HD2 HIS 45 HD2 HIS 45 7.719 24.536 -3.275 321 HE1 HIS 45 HE1 HIS 45 11.444 22.664 -2.497 322 HE2 HIS 45 HE2 HIS 45 10.301 24.850 -3.124 323 H GLY 46 H GLY 46 5.243 22.886 -4.706 324 HA2 GLY 46 HA2 GLY 46 6.918 24.329 -6.341 325 HA3 GLY 46 HA3 GLY 46 6.397 23.000 -7.395 326 H CYS 47 H CYS 47 5.893 25.780 -7.825 327 HA CYS 47 HA CYS 47 2.957 25.933 -7.304 328 HB2 CYS 47 HB2 CYS 47 5.126 27.966 -7.686 329 HB3 CYS 47 HB3 CYS 47 3.493 28.378 -8.251 330 H GLY 48 H GLY 48 1.618 25.445 -8.897 331 HA2 GLY 48 HA2 GLY 48 1.985 26.423 -11.575 332 HA3 GLY 48 HA3 GLY 48 2.456 24.715 -11.491 333 H ARG 49 H ARG 49 0.717 24.350 -13.013 334 HA ARG 49 HA ARG 49 -1.891 24.129 -11.568 335 HB2 ARG 49 HB2 ARG 49 -1.494 24.910 -14.481 336 HB3 ARG 49 HB3 ARG 49 -3.059 24.629 -13.688 337 HG2 ARG 49 HG2 ARG 49 -3.003 26.611 -12.557 338 HG3 ARG 49 HG3 ARG 49 -1.223 26.646 -12.479 339 HD2 ARG 49 HD2 ARG 49 -2.836 27.064 -15.011 340 HD3 ARG 49 HD3 ARG 49 -2.237 28.382 -13.976 341 HE ARG 49 HE ARG 49 -0.126 26.564 -14.769 342 HH11 ARG 49 HH11 ARG 49 -2.117 29.288 -15.807 343 HH12 ARG 49 HH12 ARG 49 -0.918 29.883 -16.959 344 HH21 ARG 49 HH21 ARG 49 1.419 27.338 -16.256 345 HH22 ARG 49 HH22 ARG 49 1.078 28.784 -17.212 346 H ILE 50 H ILE 50 -2.055 22.012 -11.179 347 HA ILE 50 HA ILE 50 -1.323 20.141 -13.385 348 HB ILE 50 HB ILE 50 -1.431 18.372 -11.616 349 HG12 ILE 50 HG12 ILE 50 -1.537 20.702 -9.666 350 HG13 ILE 50 HG13 ILE 50 -2.960 19.735 -10.111 351 HG21 ILE 50 HG21 ILE 50 0.764 18.799 -11.812 352 HG22 ILE 50 HG22 ILE 50 0.512 20.561 -11.825 353 HG23 ILE 50 HG23 ILE 50 0.588 19.684 -10.277 354 HD11 ILE 50 HD11 ILE 50 -0.460 18.780 -8.707 355 HD12 ILE 50 HD12 ILE 50 -2.103 18.923 -8.033 356 HD13 ILE 50 HD13 ILE 50 -1.758 17.710 -9.290 357 H TRP 51 H TRP 51 -3.864 21.797 -12.974 358 HA TRP 51 HA TRP 51 -5.694 19.510 -13.464 359 HB2 TRP 51 HB2 TRP 51 -6.141 21.727 -11.436 360 HB3 TRP 51 HB3 TRP 51 -7.463 20.735 -12.093 361 HD1 TRP 51 HD1 TRP 51 -5.396 20.877 -9.155 362 HE1 TRP 51 HE1 TRP 51 -5.190 18.583 -7.955 363 HE3 TRP 51 HE3 TRP 51 -7.086 17.892 -12.947 364 HZ2 TRP 51 HZ2 TRP 51 -5.701 15.877 -8.601 365 HZ3 TRP 51 HZ3 TRP 51 -7.196 15.463 -12.575 366 HH2 TRP 51 HH2 TRP 51 -6.517 14.477 -10.447 367 HA PRO 52 HA PRO 52 -7.206 21.991 -16.762 368 HB2 PRO 52 HB2 PRO 52 -9.826 21.241 -16.845 369 HB3 PRO 52 HB3 PRO 52 -8.495 20.180 -17.373 370 HG2 PRO 52 HG2 PRO 52 -9.999 20.210 -14.763 371 HG3 PRO 52 HG3 PRO 52 -9.495 18.815 -15.765 372 HD2 PRO 52 HD2 PRO 52 -8.132 19.598 -13.545 373 HD3 PRO 52 HD3 PRO 52 -7.325 18.860 -14.964 374 H LYS 53 H LYS 53 -9.427 21.911 -13.943 375 HA LYS 53 HA LYS 53 -10.878 24.238 -14.500 376 HB2 LYS 53 HB2 LYS 53 -10.139 22.730 -12.037 377 HB3 LYS 53 HB3 LYS 53 -10.721 24.391 -11.798 378 HG2 LYS 53 HG2 LYS 53 -12.654 23.113 -11.641 379 HG3 LYS 53 HG3 LYS 53 -12.685 23.696 -13.322 380 HD2 LYS 53 HD2 LYS 53 -11.301 21.110 -12.838 381 HD3 LYS 53 HD3 LYS 53 -13.070 21.117 -12.637 382 HE2 LYS 53 HE2 LYS 53 -11.810 22.361 -15.071 383 HE3 LYS 53 HE3 LYS 53 -12.025 20.597 -14.974 384 HZ1 LYS 53 HZ1 LYS 53 -14.285 20.781 -15.045 385 HZ2 LYS 53 HZ2 LYS 53 -13.878 22.137 -15.971 386 HZ3 LYS 53 HZ3 LYS 53 -14.320 22.323 -14.349 387 H ASP 54 H ASP 54 -7.717 23.902 -12.886 388 HA ASP 54 HA ASP 54 -7.493 26.733 -12.314 389 HB2 ASP 54 HB2 ASP 54 -5.649 24.357 -12.222 390 HB3 ASP 54 HB3 ASP 54 -4.959 25.993 -12.127 391 H LYS 55 H LYS 55 -6.727 24.662 -15.031 392 HA LYS 55 HA LYS 55 -4.901 26.492 -16.316 393 HB2 LYS 55 HB2 LYS 55 -4.858 24.162 -16.926 394 HB3 LYS 55 HB3 LYS 55 -6.578 24.184 -17.358 395 HG2 LYS 55 HG2 LYS 55 -5.149 26.175 -18.878 396 HG3 LYS 55 HG3 LYS 55 -4.368 24.582 -19.046 397 HD2 LYS 55 HD2 LYS 55 -6.166 23.662 -20.110 398 HD3 LYS 55 HD3 LYS 55 -7.342 24.671 -19.231 399 HE2 LYS 55 HE2 LYS 55 -7.373 25.366 -21.516 400 HE3 LYS 55 HE3 LYS 55 -6.534 26.630 -20.587 401 HZ1 LYS 55 HZ1 LYS 55 -5.563 25.664 -22.828 402 HZ2 LYS 55 HZ2 LYS 55 -4.899 24.512 -21.782 403 HZ3 LYS 55 HZ3 LYS 55 -4.553 26.155 -21.563 404 H ARG 56 H ARG 56 -8.406 26.023 -16.349 405 HA ARG 56 HA ARG 56 -8.959 27.653 -18.629 406 HB2 ARG 56 HB2 ARG 56 -10.753 27.350 -16.202 407 HB3 ARG 56 HB3 ARG 56 -11.232 27.651 -17.884 408 HG2 ARG 56 HG2 ARG 56 -9.954 25.319 -18.224 409 HG3 ARG 56 HG3 ARG 56 -10.470 25.119 -16.532 410 HD2 ARG 56 HD2 ARG 56 -12.174 24.203 -17.960 411 HD3 ARG 56 HD3 ARG 56 -12.794 25.708 -17.240 412 HE ARG 56 HE ARG 56 -11.552 26.115 -19.838 413 HH11 ARG 56 HH11 ARG 56 -14.494 25.158 -18.140 414 HH12 ARG 56 HH12 ARG 56 -15.560 25.613 -19.476 415 HH21 ARG 56 HH21 ARG 56 -12.930 26.701 -21.557 416 HH22 ARG 56 HH22 ARG 56 -14.677 26.483 -21.402 417 H GLU 57 H GLU 57 -8.203 28.402 -15.290 418 HA GLU 57 HA GLU 57 -8.993 31.232 -15.682 419 HB2 GLU 57 HB2 GLU 57 -8.326 29.488 -13.354 420 HB3 GLU 57 HB3 GLU 57 -7.910 31.207 -13.210 421 HG2 GLU 57 HG2 GLU 57 -10.589 30.868 -14.263 422 HG3 GLU 57 HG3 GLU 57 -10.384 30.008 -12.718 423 H LYS 58 H LYS 58 -6.243 29.179 -15.879 424 HA LYS 58 HA LYS 58 -4.025 29.603 -16.288 425 HB2 LYS 58 HB2 LYS 58 -5.106 32.333 -17.085 426 HB3 LYS 58 HB3 LYS 58 -3.456 31.765 -17.411 427 HG2 LYS 58 HG2 LYS 58 -5.666 30.011 -18.337 428 HG3 LYS 58 HG3 LYS 58 -5.466 31.569 -19.177 429 HD2 LYS 58 HD2 LYS 58 -4.039 30.295 -20.430 430 HD3 LYS 58 HD3 LYS 58 -2.908 30.819 -19.158 431 HE2 LYS 58 HE2 LYS 58 -3.224 28.737 -17.961 432 HE3 LYS 58 HE3 LYS 58 -4.474 28.222 -19.117 433 HZ1 LYS 58 HZ1 LYS 58 -1.768 28.875 -20.092 434 HZ2 LYS 58 HZ2 LYS 58 -2.921 27.828 -20.749 435 HZ3 LYS 58 HZ3 LYS 58 -2.053 27.371 -19.371 436 H VAL 59 H VAL 59 -4.409 29.574 -13.711 437 HA VAL 59 HA VAL 59 -2.727 31.836 -12.746 438 HB VAL 59 HB VAL 59 -4.944 32.461 -12.043 439 HG11 VAL 59 HG11 VAL 59 -5.351 29.648 -11.873 440 HG12 VAL 59 HG12 VAL 59 -5.678 30.345 -10.267 441 HG13 VAL 59 HG13 VAL 59 -6.545 30.956 -11.697 442 HG21 VAL 59 HG21 VAL 59 -4.103 31.291 -9.471 443 HG22 VAL 59 HG22 VAL 59 -2.820 32.157 -10.347 444 HG23 VAL 59 HG23 VAL 59 -4.337 32.993 -9.939 445 H ASP 60 H ASP 60 -0.906 30.989 -12.018 446 HA ASP 60 HA ASP 60 -0.583 28.225 -11.396 447 HB2 ASP 60 HB2 ASP 60 1.583 29.094 -10.269 448 HB3 ASP 60 HB3 ASP 60 1.378 29.368 -12.014 449 H ARG 61 H ARG 61 -0.666 27.055 -9.557 450 HA ARG 61 HA ARG 61 -1.155 28.521 -7.012 451 HB2 ARG 61 HB2 ARG 61 -2.828 26.160 -7.945 452 HB3 ARG 61 HB3 ARG 61 -3.017 27.065 -6.431 453 HG2 ARG 61 HG2 ARG 61 -3.261 29.086 -8.200 454 HG3 ARG 61 HG3 ARG 61 -3.883 27.736 -9.183 455 HD2 ARG 61 HD2 ARG 61 -4.828 28.275 -6.360 456 HD3 ARG 61 HD3 ARG 61 -5.580 29.034 -7.784 457 HE ARG 61 HE ARG 61 -5.408 26.182 -8.120 458 HH11 ARG 61 HH11 ARG 61 -7.172 28.722 -6.416 459 HH12 ARG 61 HH12 ARG 61 -8.654 27.769 -6.278 460 HH21 ARG 61 HH21 ARG 61 -7.323 24.958 -7.939 461 HH22 ARG 61 HH22 ARG 61 -8.738 25.645 -7.135 462 H CYS 62 H CYS 62 -0.989 27.075 -5.089 463 HA CYS 62 HA CYS 62 1.451 25.554 -5.281 464 HB2 CYS 62 HB2 CYS 62 0.954 26.730 -3.236 465 HB3 CYS 62 HB3 CYS 62 -0.596 25.880 -3.060 466 H TYR 63 H TYR 63 1.828 23.431 -5.488 467 HA TYR 63 HA TYR 63 -0.460 21.559 -5.202 468 HB2 TYR 63 HB2 TYR 63 -0.144 20.549 -7.345 469 HB3 TYR 63 HB3 TYR 63 -0.245 22.301 -7.625 470 HD1 TYR 63 HD2 TYR 63 2.008 19.384 -7.567 471 HD2 TYR 63 HD1 TYR 63 1.652 23.532 -8.444 472 HE1 TYR 63 HE2 TYR 63 4.158 19.311 -8.759 473 HE2 TYR 63 HE1 TYR 63 3.801 23.470 -9.639 474 HH TYR 63 HH TYR 63 5.785 20.521 -9.710 475 H ILE 64 H ILE 64 0.128 19.377 -4.859 476 HA ILE 64 HA ILE 64 3.031 18.878 -4.454 477 HB ILE 64 HB ILE 64 0.916 18.376 -2.331 478 HG12 ILE 64 HG12 ILE 64 3.336 20.223 -2.353 479 HG13 ILE 64 HG13 ILE 64 1.640 20.735 -2.486 480 HG21 ILE 64 HG21 ILE 64 2.521 16.558 -2.396 481 HG22 ILE 64 HG22 ILE 64 3.875 17.714 -2.390 482 HG23 ILE 64 HG23 ILE 64 2.821 17.571 -0.963 483 HD11 ILE 64 HD11 ILE 64 1.981 21.097 -0.266 484 HD12 ILE 64 HD12 ILE 64 1.442 19.400 -0.201 485 HD13 ILE 64 HD13 ILE 64 3.178 19.790 -0.120 486 H CYS 65 H CYS 65 3.611 17.008 -5.313 487 HA CYS 65 HA CYS 65 1.522 14.877 -5.520 488 HB2 CYS 65 HB2 CYS 65 3.618 15.668 -7.578 489 HB3 CYS 65 HB3 CYS 65 2.610 14.209 -7.680 490 H ASN 66 H ASN 66 2.266 12.703 -5.478 491 HA ASN 66 HA ASN 66 4.392 12.294 -3.589 492 HB2 ASN 66 HB2 ASN 66 3.988 9.894 -3.980 493 HB3 ASN 66 HB3 ASN 66 2.457 10.776 -3.781 494 HD21 ASN 66 HD21 ASN 66 2.533 8.279 -4.914 495 HD22 ASN 66 HD22 ASN 66 2.141 8.422 -6.664 496 H ASN 67 H ASN 67 6.198 10.694 -3.987 497 HA ASN 67 HA ASN 67 7.979 11.774 -5.908 498 HB2 ASN 67 HB2 ASN 67 9.444 9.897 -5.355 499 HB3 ASN 67 HB3 ASN 67 8.673 10.517 -3.878 500 HD21 ASN 67 HD21 ASN 67 6.976 9.336 -2.915 501 HD22 ASN 67 HD22 ASN 67 6.817 7.571 -3.221 502 H GLU 68 H GLU 68 5.646 9.150 -6.106 503 HA GLU 68 HA GLU 68 6.716 8.114 -8.614 504 HB2 GLU 68 HB2 GLU 68 4.022 7.670 -7.276 505 HB3 GLU 68 HB3 GLU 68 4.661 6.742 -8.646 506 HG2 GLU 68 HG2 GLU 68 6.366 6.884 -6.220 507 HG3 GLU 68 HG3 GLU 68 4.859 5.945 -6.093 508 H LYS 69 H LYS 69 4.947 10.850 -7.760 509 HA LYS 69 HA LYS 69 3.744 12.388 -8.966 510 HB2 LYS 69 HB2 LYS 69 5.449 11.088 -11.087 511 HB3 LYS 69 HB3 LYS 69 4.248 12.311 -11.543 512 HG2 LYS 69 HG2 LYS 69 5.321 13.988 -10.260 513 HG3 LYS 69 HG3 LYS 69 6.354 12.796 -9.433 514 HD2 LYS 69 HD2 LYS 69 7.624 12.390 -11.398 515 HD3 LYS 69 HD3 LYS 69 6.443 13.240 -12.424 516 HE2 LYS 69 HE2 LYS 69 7.848 14.692 -10.193 517 HE3 LYS 69 HE3 LYS 69 8.669 14.426 -11.750 518 HZ1 LYS 69 HZ1 LYS 69 7.659 16.379 -12.216 519 HZ2 LYS 69 HZ2 LYS 69 6.398 16.149 -11.112 520 HZ3 LYS 69 HZ3 LYS 69 6.357 15.375 -12.616 521 H THR 70 H THR 70 2.649 9.633 -8.508 522 HA THR 70 HA THR 70 0.852 9.334 -10.847 523 HB THR 70 HB THR 70 0.084 7.273 -9.789 524 HG1 THR 70 HG1 THR 70 1.215 6.647 -7.767 525 HG21 THR 70 HG21 THR 70 2.768 6.556 -9.262 526 HG22 THR 70 HG22 THR 70 2.826 7.821 -10.512 527 HG23 THR 70 HG23 THR 70 1.862 6.348 -10.779 528 H LEU 71 H LEU 71 0.791 10.135 -7.387 529 HA LEU 71 HA LEU 71 -2.095 10.853 -7.712 530 HB2 LEU 71 HB2 LEU 71 -1.330 9.083 -5.992 531 HB3 LEU 71 HB3 LEU 71 -0.683 10.463 -5.075 532 HG LEU 71 HG LEU 71 -3.187 11.346 -5.416 533 HD11 LEU 71 HD11 LEU 71 -4.365 9.736 -6.485 534 HD12 LEU 71 HD12 LEU 71 -4.495 9.063 -4.842 535 HD13 LEU 71 HD13 LEU 71 -3.268 8.432 -5.967 536 HD21 LEU 71 HD21 LEU 71 -3.484 9.658 -3.228 537 HD22 LEU 71 HD22 LEU 71 -2.809 11.305 -3.214 538 HD23 LEU 71 HD23 LEU 71 -1.725 9.900 -3.349 539 H CYS 72 H CYS 72 -2.838 12.844 -7.059 540 HA CYS 72 HA CYS 72 -0.870 14.752 -5.938 541 HB2 CYS 72 HB2 CYS 72 -2.379 15.242 -8.535 542 HB3 CYS 72 HB3 CYS 72 -1.412 16.451 -7.665 543 H THR 73 H THR 73 -1.891 16.827 -5.304 544 HA THR 73 HA THR 73 -4.112 16.411 -3.652 545 HB THR 73 HB THR 73 -4.307 19.110 -4.260 546 HG1 THR 73 HG1 THR 73 -2.073 19.765 -4.460 547 HG21 THR 73 HG21 THR 73 -2.247 18.921 -2.372 548 HG22 THR 73 HG22 THR 73 -3.169 17.409 -2.191 549 HG23 THR 73 HG23 THR 73 -3.995 18.980 -2.046 550 H SER 74 H SER 74 -6.283 17.296 -3.724 551 HA SER 74 HA SER 74 -7.632 16.529 -6.137 552 HB2 SER 74 HB2 SER 74 -8.658 16.395 -3.879 553 HB3 SER 74 HB3 SER 74 -8.675 18.174 -3.795 554 HG SER 74 HG SER 74 -10.699 17.295 -4.489 555 H VAL 75 H VAL 75 -9.272 17.987 -7.229 556 HA VAL 75 HA VAL 75 -7.804 20.344 -8.199 557 HB VAL 75 HB VAL 75 -8.940 18.817 -9.785 558 HG11 VAL 75 HG11 VAL 75 -11.513 19.895 -8.597 559 HG12 VAL 75 HG12 VAL 75 -11.355 18.754 -9.955 560 HG13 VAL 75 HG13 VAL 75 -10.865 18.262 -8.316 561 HG21 VAL 75 HG21 VAL 75 -10.373 21.459 -9.929 562 HG22 VAL 75 HG22 VAL 75 -8.602 21.379 -10.099 563 HG23 VAL 75 HG23 VAL 75 -9.646 20.494 -11.237 564 H MET 76 H MET 76 -10.463 19.589 -6.078 565 HA MET 76 HA MET 76 -11.413 22.393 -6.113 566 HB2 MET 76 HB2 MET 76 -12.382 19.862 -4.755 567 HB3 MET 76 HB3 MET 76 -13.054 21.460 -4.371 568 HG2 MET 76 HG2 MET 76 -13.989 21.716 -6.493 569 HG3 MET 76 HG3 MET 76 -12.944 20.467 -7.209 570 HE1 MET 76 HE1 MET 76 -15.478 21.171 -4.472 571 HE2 MET 76 HE2 MET 76 -16.530 19.736 -4.419 572 HE3 MET 76 HE3 MET 76 -14.910 19.683 -3.680 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 5.378 0.704 -1.090 2 H2 GLY 1 H2 GLY 1 4.912 2.230 -1.668 3 H3 GLY 1 H3 GLY 1 4.877 1.906 -0.002 4 HA2 GLY 1 HA2 GLY 1 3.365 -0.012 -1.351 5 HA3 GLY 1 HA3 GLY 1 2.866 1.145 -0.101 6 H THR 2 H THR 2 0.937 0.668 -1.746 7 HA THR 2 HA THR 2 0.923 2.037 -4.238 8 HB THR 2 HB THR 2 -1.672 2.199 -3.609 9 HG1 THR 2 HG1 THR 2 -2.166 0.466 -2.122 10 HG21 THR 2 HG21 THR 2 -1.818 -0.288 -4.246 11 HG22 THR 2 HG22 THR 2 -0.040 -0.246 -4.312 12 HG23 THR 2 HG23 THR 2 -0.998 0.803 -5.385 13 HA PRO 3 HA PRO 3 0.531 6.314 -3.297 14 HB2 PRO 3 HB2 PRO 3 -1.281 7.145 -5.158 15 HB3 PRO 3 HB3 PRO 3 0.393 6.690 -5.567 16 HG2 PRO 3 HG2 PRO 3 -2.139 5.079 -5.810 17 HG3 PRO 3 HG3 PRO 3 -0.779 5.233 -6.963 18 HD2 PRO 3 HD2 PRO 3 -1.064 3.094 -5.305 19 HD3 PRO 3 HD3 PRO 3 0.536 3.719 -5.811 20 H SER 4 H SER 4 -0.521 7.541 -1.860 21 HA SER 4 HA SER 4 -3.451 7.172 -1.552 22 HB2 SER 4 HB2 SER 4 -3.357 6.760 0.792 23 HB3 SER 4 HB3 SER 4 -2.161 5.658 0.071 24 HG SER 4 HG SER 4 -1.343 6.768 1.927 25 H ALA 5 H ALA 5 -4.459 8.861 -0.225 26 HA ALA 5 HA ALA 5 -3.651 11.438 -1.030 27 HB1 ALA 5 HB1 ALA 5 -5.492 10.432 1.130 28 HB2 ALA 5 HB2 ALA 5 -5.186 12.173 0.925 29 HB3 ALA 5 HB3 ALA 5 -5.889 11.228 -0.411 30 H ASP 6 H ASP 6 -2.599 9.476 1.646 31 HA ASP 6 HA ASP 6 -1.602 11.597 3.307 32 HB2 ASP 6 HB2 ASP 6 -2.000 9.077 3.849 33 HB3 ASP 6 HB3 ASP 6 -0.366 8.841 3.190 34 H GLN 7 H GLN 7 -0.405 10.003 0.441 35 HA GLN 7 HA GLN 7 2.361 10.788 0.814 36 HB2 GLN 7 HB2 GLN 7 0.730 9.733 -1.497 37 HB3 GLN 7 HB3 GLN 7 2.389 10.315 -1.753 38 HG2 GLN 7 HG2 GLN 7 1.661 8.202 0.282 39 HG3 GLN 7 HG3 GLN 7 2.125 7.836 -1.397 40 HE21 GLN 7 HE21 GLN 7 4.198 7.628 -1.880 41 HE22 GLN 7 HE22 GLN 7 5.556 8.076 -0.790 42 H VAL 8 H VAL 8 -0.513 12.262 -0.549 43 HA VAL 8 HA VAL 8 1.107 14.452 -1.728 44 HB VAL 8 HB VAL 8 -1.041 15.287 -2.617 45 HG11 VAL 8 HG11 VAL 8 -0.063 12.515 -3.150 46 HG12 VAL 8 HG12 VAL 8 -1.578 13.036 -3.929 47 HG13 VAL 8 HG13 VAL 8 -0.074 13.948 -4.204 48 HG21 VAL 8 HG21 VAL 8 -2.476 14.485 -0.771 49 HG22 VAL 8 HG22 VAL 8 -3.088 13.990 -2.367 50 HG23 VAL 8 HG23 VAL 8 -2.244 12.812 -1.334 51 H ARG 9 H ARG 9 0.801 13.946 1.221 52 HA ARG 9 HA ARG 9 -0.881 16.139 2.166 53 HB2 ARG 9 HB2 ARG 9 1.028 14.187 3.458 54 HB3 ARG 9 HB3 ARG 9 0.407 15.578 4.369 55 HG2 ARG 9 HG2 ARG 9 -1.401 13.608 2.963 56 HG3 ARG 9 HG3 ARG 9 -0.839 13.385 4.639 57 HD2 ARG 9 HD2 ARG 9 -1.728 15.823 4.969 58 HD3 ARG 9 HD3 ARG 9 -2.660 15.486 3.491 59 HE ARG 9 HE ARG 9 -3.003 13.328 5.320 60 HH11 ARG 9 HH11 ARG 9 -3.833 16.733 4.889 61 HH12 ARG 9 HH12 ARG 9 -5.331 16.611 5.819 62 HH21 ARG 9 HH21 ARG 9 -4.938 13.178 6.521 63 HH22 ARG 9 HH22 ARG 9 -5.953 14.607 6.740 64 H TYR 10 H TYR 10 0.348 17.536 4.000 65 HA TYR 10 HA TYR 10 2.895 18.557 2.872 66 HB2 TYR 10 HB2 TYR 10 2.134 20.843 2.784 67 HB3 TYR 10 HB3 TYR 10 1.005 19.852 1.835 68 HD1 TYR 10 HD1 TYR 10 1.449 21.712 4.997 69 HD2 TYR 10 HD2 TYR 10 -1.285 19.630 2.489 70 HE1 TYR 10 HE1 TYR 10 -0.428 22.596 6.319 71 HE2 TYR 10 HE2 TYR 10 -3.169 20.509 3.803 72 HH TYR 10 HH TYR 10 -3.799 21.971 5.381 73 H ASN 11 H ASN 11 4.009 20.062 4.320 74 HA ASN 11 HA ASN 11 3.183 19.630 7.163 75 HB2 ASN 11 HB2 ASN 11 5.472 19.341 7.801 76 HB3 ASN 11 HB3 ASN 11 5.199 18.280 6.401 77 HD21 ASN 11 HD21 ASN 11 7.502 19.967 7.711 78 HD22 ASN 11 HD22 ASN 11 8.295 20.681 6.265 79 H TYR 12 H TYR 12 3.311 21.331 8.554 80 HA TYR 12 HA TYR 12 3.405 23.966 7.334 81 HB2 TYR 12 HB2 TYR 12 3.088 22.991 10.188 82 HB3 TYR 12 HB3 TYR 12 3.127 24.716 9.764 83 HD1 TYR 12 HD2 TYR 12 1.440 25.387 7.827 84 HD2 TYR 12 HD1 TYR 12 1.031 21.955 10.307 85 HE1 TYR 12 HE2 TYR 12 -0.970 25.326 7.333 86 HE2 TYR 12 HE1 TYR 12 -1.379 21.883 9.820 87 HH TYR 12 HH TYR 12 -2.820 23.063 7.444 88 H THR 13 H THR 13 5.170 25.072 6.888 89 HA THR 13 HA THR 13 7.488 24.788 8.756 90 HB THR 13 HB THR 13 8.972 25.190 6.742 91 HG1 THR 13 HG1 THR 13 7.999 24.641 4.689 92 HG21 THR 13 HG21 THR 13 8.748 22.816 5.899 93 HG22 THR 13 HG22 THR 13 7.302 22.667 6.924 94 HG23 THR 13 HG23 THR 13 8.888 22.984 7.665 95 H GLU 14 H GLU 14 9.091 26.628 8.482 96 HA GLU 14 HA GLU 14 7.509 29.139 8.432 97 HB2 GLU 14 HB2 GLU 14 9.635 28.132 10.049 98 HB3 GLU 14 HB3 GLU 14 10.253 29.554 9.185 99 HG2 GLU 14 HG2 GLU 14 8.249 30.819 9.989 100 HG3 GLU 14 HG3 GLU 14 7.829 29.407 10.986 101 H LEU 15 H LEU 15 7.733 30.688 6.944 102 HA LEU 15 HA LEU 15 9.694 30.162 4.771 103 HB2 LEU 15 HB2 LEU 15 7.118 31.695 4.987 104 HB3 LEU 15 HB3 LEU 15 8.284 32.102 3.706 105 HG LEU 15 HG LEU 15 7.292 29.277 4.060 106 HD11 LEU 15 HD11 LEU 15 5.226 30.282 3.824 107 HD12 LEU 15 HD12 LEU 15 5.691 30.008 2.128 108 HD13 LEU 15 HD13 LEU 15 5.870 31.625 2.848 109 HD21 LEU 15 HD21 LEU 15 9.274 29.871 2.604 110 HD22 LEU 15 HD22 LEU 15 8.142 30.783 1.577 111 HD23 LEU 15 HD23 LEU 15 7.938 29.026 1.787 112 HA PRO 16 HA PRO 16 12.280 33.581 5.741 113 HB2 PRO 16 HB2 PRO 16 12.892 34.548 3.266 114 HB3 PRO 16 HB3 PRO 16 13.539 33.010 3.897 115 HG2 PRO 16 HG2 PRO 16 11.234 33.488 2.018 116 HG3 PRO 16 HG3 PRO 16 12.529 32.255 1.934 117 HD2 PRO 16 HD2 PRO 16 10.029 31.701 2.854 118 HD3 PRO 16 HD3 PRO 16 11.494 30.879 3.478 119 H ASN 17 H ASN 17 9.318 34.048 4.013 120 HA ASN 17 HA ASN 17 9.524 36.974 3.998 121 HB2 ASN 17 HB2 ASN 17 7.192 36.877 3.142 122 HB3 ASN 17 HB3 ASN 17 8.299 35.850 2.203 123 HD21 ASN 17 HD21 ASN 17 5.942 35.157 1.677 124 HD22 ASN 17 HD22 ASN 17 5.365 33.743 2.626 125 H GLY 18 H GLY 18 8.961 34.689 6.351 126 HA2 GLY 18 HA2 GLY 18 8.568 35.470 8.622 127 HA3 GLY 18 HA3 GLY 18 7.494 36.725 7.975 128 H GLU 19 H GLU 19 6.290 34.692 6.089 129 HA GLU 19 HA GLU 19 4.236 33.796 7.981 130 HB2 GLU 19 HB2 GLU 19 4.369 33.184 5.014 131 HB3 GLU 19 HB3 GLU 19 2.938 33.240 6.060 132 HG2 GLU 19 HG2 GLU 19 4.602 35.540 5.040 133 HG3 GLU 19 HG3 GLU 19 2.881 35.198 4.745 134 H TYR 20 H TYR 20 3.284 31.471 6.998 135 HA TYR 20 HA TYR 20 5.492 29.599 7.704 136 HB2 TYR 20 HB2 TYR 20 2.558 29.665 8.145 137 HB3 TYR 20 HB3 TYR 20 3.224 28.071 7.730 138 HD1 TYR 20 HD2 TYR 20 3.235 30.790 10.210 139 HD2 TYR 20 HD1 TYR 20 4.688 26.908 9.257 140 HE1 TYR 20 HE2 TYR 20 3.964 30.497 12.541 141 HE2 TYR 20 HE1 TYR 20 5.419 26.602 11.585 142 HH TYR 20 HH TYR 20 5.150 29.234 13.961 143 H CYS 21 H CYS 21 2.520 29.374 5.703 144 HA CYS 21 HA CYS 21 3.911 28.903 3.255 145 HB2 CYS 21 HB2 CYS 21 3.740 26.540 2.968 146 HB3 CYS 21 HB3 CYS 21 4.515 26.793 4.547 147 H TYR 22 H TYR 22 2.491 28.355 1.488 148 HA TYR 22 HA TYR 22 -0.274 29.226 2.093 149 HB2 TYR 22 HB2 TYR 22 1.405 29.037 -0.409 150 HB3 TYR 22 HB3 TYR 22 -0.363 29.166 -0.524 151 HD1 TYR 22 HD2 TYR 22 -1.080 31.043 1.546 152 HD2 TYR 22 HD1 TYR 22 2.316 31.071 -1.015 153 HE1 TYR 22 HE2 TYR 22 -0.923 33.484 1.793 154 HE2 TYR 22 HE1 TYR 22 2.484 33.512 -0.774 155 HH TYR 22 HH TYR 22 0.165 35.330 1.250 156 H THR 23 H THR 23 -1.935 27.889 2.214 157 HA THR 23 HA THR 23 -1.725 25.106 2.160 158 HB THR 23 HB THR 23 -4.318 25.350 1.459 159 HG1 THR 23 HG1 THR 23 -5.046 27.420 2.260 160 HG21 THR 23 HG21 THR 23 -4.543 26.153 4.024 161 HG22 THR 23 HG22 THR 23 -2.824 25.689 4.012 162 HG23 THR 23 HG23 THR 23 -4.071 24.501 3.559 163 HA PRO 24 HA PRO 24 -1.684 23.717 -2.009 164 HB2 PRO 24 HB2 PRO 24 -3.363 21.570 -1.931 165 HB3 PRO 24 HB3 PRO 24 -1.742 21.564 -1.187 166 HG2 PRO 24 HG2 PRO 24 -4.434 21.990 0.094 167 HG3 PRO 24 HG3 PRO 24 -3.045 21.016 0.668 168 HD2 PRO 24 HD2 PRO 24 -3.594 23.502 1.629 169 HD3 PRO 24 HD3 PRO 24 -1.926 22.864 1.492 170 H ARG 25 H ARG 25 -2.786 23.704 -3.980 171 HA ARG 25 HA ARG 25 -4.410 24.327 -5.477 172 HB2 ARG 25 HB2 ARG 25 -6.457 24.012 -3.264 173 HB3 ARG 25 HB3 ARG 25 -6.703 23.853 -5.014 174 HG2 ARG 25 HG2 ARG 25 -5.386 21.812 -5.045 175 HG3 ARG 25 HG3 ARG 25 -5.028 21.990 -3.309 176 HD2 ARG 25 HD2 ARG 25 -7.790 21.647 -4.518 177 HD3 ARG 25 HD3 ARG 25 -6.835 20.360 -3.743 178 HE ARG 25 HE ARG 25 -7.267 22.708 -2.057 179 HH11 ARG 25 HH11 ARG 25 -8.528 19.596 -3.146 180 HH12 ARG 25 HH12 ARG 25 -9.526 19.360 -1.708 181 HH21 ARG 25 HH21 ARG 25 -8.555 22.396 -0.203 182 HH22 ARG 25 HH22 ARG 25 -9.542 20.938 -0.050 183 H ARG 26 H ARG 26 -3.131 26.228 -3.510 184 HA ARG 26 HA ARG 26 -5.193 28.389 -3.666 185 HB2 ARG 26 HB2 ARG 26 -3.777 27.514 -1.460 186 HB3 ARG 26 HB3 ARG 26 -2.810 28.899 -2.005 187 HG2 ARG 26 HG2 ARG 26 -5.687 29.442 -1.965 188 HG3 ARG 26 HG3 ARG 26 -5.023 29.004 -0.371 189 HD2 ARG 26 HD2 ARG 26 -3.620 30.834 -0.302 190 HD3 ARG 26 HD3 ARG 26 -3.547 30.980 -2.074 191 HE ARG 26 HE ARG 26 -6.212 31.498 -1.208 192 HH11 ARG 26 HH11 ARG 26 -2.964 32.881 -1.105 193 HH12 ARG 26 HH12 ARG 26 -3.544 34.547 -1.024 194 HH21 ARG 26 HH21 ARG 26 -6.953 33.653 -1.106 195 HH22 ARG 26 HH22 ARG 26 -5.792 34.983 -1.025 196 H ARG 27 H ARG 27 -4.646 30.410 -4.476 197 HA ARG 27 HA ARG 27 -2.739 30.390 -6.610 198 HB2 ARG 27 HB2 ARG 27 -4.651 31.832 -6.755 199 HB3 ARG 27 HB3 ARG 27 -4.239 32.635 -5.226 200 HG2 ARG 27 HG2 ARG 27 -2.301 33.666 -6.231 201 HG3 ARG 27 HG3 ARG 27 -2.563 32.763 -7.744 202 HD2 ARG 27 HD2 ARG 27 -4.533 33.969 -8.243 203 HD3 ARG 27 HD3 ARG 27 -4.652 34.617 -6.590 204 HE ARG 27 HE ARG 27 -2.198 35.491 -7.718 205 HH11 ARG 27 HH11 ARG 27 -5.682 35.905 -8.122 206 HH12 ARG 27 HH12 ARG 27 -5.537 37.548 -8.754 207 HH21 ARG 27 HH21 ARG 27 -2.020 37.612 -8.536 208 HH22 ARG 27 HH22 ARG 27 -3.472 38.511 -8.989 209 H CYS 28 H CYS 28 -0.616 30.622 -6.589 210 HA CYS 28 HA CYS 28 0.581 32.190 -4.341 211 HB2 CYS 28 HB2 CYS 28 2.539 30.592 -4.480 212 HB3 CYS 28 HB3 CYS 28 1.039 29.890 -3.835 213 H THR 29 H THR 29 3.085 32.489 -4.943 214 HA THR 29 HA THR 29 3.108 33.501 -7.762 215 HB THR 29 HB THR 29 4.627 35.313 -6.971 216 HG1 THR 29 HG1 THR 29 4.693 35.679 -4.665 217 HG21 THR 29 HG21 THR 29 1.794 35.044 -6.480 218 HG22 THR 29 HG22 THR 29 2.723 36.482 -6.967 219 HG23 THR 29 HG23 THR 29 2.530 36.090 -5.241 220 H SER 30 H SER 30 4.871 31.985 -5.109 221 HA SER 30 HA SER 30 6.919 31.138 -7.103 222 HB2 SER 30 HB2 SER 30 7.757 31.737 -4.271 223 HB3 SER 30 HB3 SER 30 8.730 31.729 -5.764 224 HG SER 30 HG SER 30 8.317 33.865 -4.979 225 H ALA 31 H ALA 31 7.748 29.089 -6.847 226 HA ALA 31 HA ALA 31 6.070 27.160 -5.642 227 HB1 ALA 31 HB1 ALA 31 8.833 27.159 -6.775 228 HB2 ALA 31 HB2 ALA 31 8.318 25.750 -5.817 229 HB3 ALA 31 HB3 ALA 31 7.394 26.233 -7.260 230 H ASP 32 H ASP 32 8.994 28.774 -4.426 231 HA ASP 32 HA ASP 32 9.461 27.198 -2.147 232 HB2 ASP 32 HB2 ASP 32 10.814 29.184 -3.080 233 HB3 ASP 32 HB3 ASP 32 9.714 30.218 -2.142 234 H GLN 33 H GLN 33 7.018 29.670 -2.740 235 HA GLN 33 HA GLN 33 6.230 29.971 0.015 236 HB2 GLN 33 HB2 GLN 33 4.521 30.409 -2.459 237 HB3 GLN 33 HB3 GLN 33 4.298 31.136 -0.854 238 HG2 GLN 33 HG2 GLN 33 6.763 32.021 -1.336 239 HG3 GLN 33 HG3 GLN 33 6.227 31.815 -3.019 240 HE21 GLN 33 HE21 GLN 33 3.774 32.587 -3.219 241 HE22 GLN 33 HE22 GLN 33 3.527 34.265 -2.619 242 H CYS 34 H CYS 34 5.069 27.944 -2.681 243 HA CYS 34 HA CYS 34 2.799 26.846 -1.462 244 HB2 CYS 34 HB2 CYS 34 3.292 26.391 -3.777 245 HB3 CYS 34 HB3 CYS 34 4.818 25.585 -3.351 246 H CYS 35 H CYS 35 2.438 25.633 0.261 247 HA CYS 35 HA CYS 35 4.418 24.880 2.087 248 HB2 CYS 35 HB2 CYS 35 1.683 24.789 2.030 249 HB3 CYS 35 HB3 CYS 35 2.078 23.060 1.961 250 H ARG 36 H ARG 36 5.904 23.338 2.214 251 HA ARG 36 HA ARG 36 6.295 21.522 0.017 252 HB2 ARG 36 HB2 ARG 36 7.591 22.014 2.675 253 HB3 ARG 36 HB3 ARG 36 7.940 20.486 1.842 254 HG2 ARG 36 HG2 ARG 36 9.028 21.529 0.093 255 HG3 ARG 36 HG3 ARG 36 8.185 23.075 0.348 256 HD2 ARG 36 HD2 ARG 36 10.357 23.491 1.110 257 HD3 ARG 36 HD3 ARG 36 9.440 23.155 2.599 258 HE ARG 36 HE ARG 36 10.548 20.715 1.656 259 HH11 ARG 36 HH11 ARG 36 11.547 23.822 3.002 260 HH12 ARG 36 HH12 ARG 36 13.003 23.164 3.757 261 HH21 ARG 36 HH21 ARG 36 12.429 19.874 2.631 262 HH22 ARG 36 HH22 ARG 36 13.501 20.938 3.547 263 HA PRO 37 HA PRO 37 4.038 17.933 1.173 264 HB2 PRO 37 HB2 PRO 37 5.762 15.927 0.510 265 HB3 PRO 37 HB3 PRO 37 4.904 16.912 -0.703 266 HG2 PRO 37 HG2 PRO 37 7.730 17.158 0.312 267 HG3 PRO 37 HG3 PRO 37 7.112 17.277 -1.365 268 HD2 PRO 37 HD2 PRO 37 7.716 19.463 0.138 269 HD3 PRO 37 HD3 PRO 37 6.407 19.462 -1.086 270 H TYR 38 H TYR 38 3.810 16.251 2.694 271 HA TYR 38 HA TYR 38 5.001 16.723 5.206 272 HB2 TYR 38 HB2 TYR 38 2.865 15.416 4.642 273 HB3 TYR 38 HB3 TYR 38 3.926 14.026 4.328 274 HD1 TYR 38 HD2 TYR 38 5.425 13.226 6.227 275 HD2 TYR 38 HD1 TYR 38 2.200 15.931 6.829 276 HE1 TYR 38 HE2 TYR 38 5.416 12.670 8.623 277 HE2 TYR 38 HE1 TYR 38 2.181 15.386 9.228 278 HH TYR 38 HH TYR 38 4.488 13.024 10.597 279 H ASP 39 H ASP 39 6.104 14.836 2.486 280 HA ASP 39 HA ASP 39 8.621 14.315 3.948 281 HB2 ASP 39 HB2 ASP 39 6.738 12.195 2.953 282 HB3 ASP 39 HB3 ASP 39 8.488 11.909 2.835 283 H THR 40 H THR 40 9.850 15.560 2.651 284 HA THR 40 HA THR 40 9.522 15.888 -0.136 285 HB THR 40 HB THR 40 12.131 16.355 0.012 286 HG1 THR 40 HG1 THR 40 12.683 16.915 2.212 287 HG21 THR 40 HG21 THR 40 10.629 18.261 1.718 288 HG22 THR 40 HG22 THR 40 9.902 17.900 0.134 289 HG23 THR 40 HG23 THR 40 11.560 18.541 0.227 290 H THR 41 H THR 41 10.928 13.281 1.695 291 HA THR 41 HA THR 41 12.511 12.203 -0.486 292 HB THR 41 HB THR 41 13.027 11.691 1.872 293 HG1 THR 41 HG1 THR 41 12.481 9.676 -0.033 294 HG21 THR 41 HG21 THR 41 10.728 9.766 1.985 295 HG22 THR 41 HG22 THR 41 10.443 11.477 2.378 296 HG23 THR 41 HG23 THR 41 11.633 10.538 3.308 297 H ALA 42 H ALA 42 9.172 12.211 0.299 298 HA ALA 42 HA ALA 42 8.734 10.090 -1.761 299 HB1 ALA 42 HB1 ALA 42 7.796 10.189 1.011 300 HB2 ALA 42 HB2 ALA 42 6.484 9.955 -0.168 301 HB3 ALA 42 HB3 ALA 42 7.861 8.826 -0.130 302 H ALA 43 H ALA 43 8.785 13.139 -1.691 303 HA ALA 43 HA ALA 43 6.676 13.558 -3.546 304 HB1 ALA 43 HB1 ALA 43 5.067 13.404 -1.832 305 HB2 ALA 43 HB2 ALA 43 6.056 14.358 -0.699 306 HB3 ALA 43 HB3 ALA 43 5.293 15.149 -2.100 307 H PHE 44 H PHE 44 6.319 15.950 -3.991 308 HA PHE 44 HA PHE 44 8.649 17.579 -3.113 309 HB2 PHE 44 HB2 PHE 44 8.885 18.340 -5.551 310 HB3 PHE 44 HB3 PHE 44 9.482 16.712 -5.162 311 HD1 PHE 44 HD2 PHE 44 8.234 14.734 -5.895 312 HD2 PHE 44 HD1 PHE 44 7.026 18.659 -7.009 313 HE1 PHE 44 HE2 PHE 44 6.817 13.790 -7.671 314 HE2 PHE 44 HE1 PHE 44 5.607 17.723 -8.786 315 HZ PHE 44 HZ PHE 44 5.502 15.285 -9.120 316 H HIS 45 H HIS 45 8.426 19.892 -3.998 317 HA HIS 45 HA HIS 45 5.530 20.639 -3.879 318 HB2 HIS 45 HB2 HIS 45 6.057 22.536 -2.555 319 HB3 HIS 45 HB3 HIS 45 6.976 21.195 -1.836 320 HD2 HIS 45 HD2 HIS 45 7.618 24.520 -3.787 321 HE1 HIS 45 HE1 HIS 45 11.344 22.992 -2.453 322 HE2 HIS 45 HE2 HIS 45 10.175 24.972 -3.544 323 H GLY 46 H GLY 46 5.139 22.919 -4.746 324 HA2 GLY 46 HA2 GLY 46 6.794 24.295 -6.483 325 HA3 GLY 46 HA3 GLY 46 6.184 22.952 -7.471 326 H CYS 47 H CYS 47 5.722 25.691 -8.019 327 HA CYS 47 HA CYS 47 2.807 25.909 -7.388 328 HB2 CYS 47 HB2 CYS 47 4.997 27.923 -7.715 329 HB3 CYS 47 HB3 CYS 47 3.379 28.373 -8.295 330 H GLY 48 H GLY 48 1.448 25.479 -8.979 331 HA2 GLY 48 HA2 GLY 48 1.819 26.514 -11.640 332 HA3 GLY 48 HA3 GLY 48 2.245 24.792 -11.595 333 H ARG 49 H ARG 49 0.516 24.371 -13.050 334 HA ARG 49 HA ARG 49 -2.095 24.231 -11.612 335 HB2 ARG 49 HB2 ARG 49 -1.772 24.992 -14.537 336 HB3 ARG 49 HB3 ARG 49 -3.297 24.856 -13.637 337 HG2 ARG 49 HG2 ARG 49 -2.876 26.798 -12.398 338 HG3 ARG 49 HG3 ARG 49 -1.139 26.782 -12.791 339 HD2 ARG 49 HD2 ARG 49 -3.423 27.332 -14.710 340 HD3 ARG 49 HD3 ARG 49 -2.290 28.532 -14.043 341 HE ARG 49 HE ARG 49 -1.847 26.747 -16.282 342 HH11 ARG 49 HH11 ARG 49 -0.294 28.449 -13.607 343 HH12 ARG 49 HH12 ARG 49 1.281 28.517 -14.405 344 HH21 ARG 49 HH21 ARG 49 0.188 26.838 -17.307 345 HH22 ARG 49 HH22 ARG 49 1.553 27.611 -16.492 346 H ILE 50 H ILE 50 -2.226 22.101 -11.243 347 HA ILE 50 HA ILE 50 -1.598 20.270 -13.512 348 HB ILE 50 HB ILE 50 -1.683 18.465 -11.764 349 HG12 ILE 50 HG12 ILE 50 -1.618 20.762 -9.775 350 HG13 ILE 50 HG13 ILE 50 -3.105 19.876 -10.180 351 HG21 ILE 50 HG21 ILE 50 0.532 18.719 -11.340 352 HG22 ILE 50 HG22 ILE 50 0.362 20.053 -12.505 353 HG23 ILE 50 HG23 ILE 50 0.346 20.390 -10.757 354 HD11 ILE 50 HD11 ILE 50 -2.349 18.855 -8.234 355 HD12 ILE 50 HD12 ILE 50 -1.781 17.767 -9.524 356 HD13 ILE 50 HD13 ILE 50 -0.647 18.901 -8.751 357 H TRP 51 H TRP 51 -4.106 21.943 -12.981 358 HA TRP 51 HA TRP 51 -5.978 19.676 -13.426 359 HB2 TRP 51 HB2 TRP 51 -6.339 21.913 -11.404 360 HB3 TRP 51 HB3 TRP 51 -7.689 20.931 -12.013 361 HD1 TRP 51 HD1 TRP 51 -5.491 21.068 -9.158 362 HE1 TRP 51 HE1 TRP 51 -5.291 18.785 -7.936 363 HE3 TRP 51 HE3 TRP 51 -7.430 18.085 -12.828 364 HZ2 TRP 51 HZ2 TRP 51 -5.903 16.086 -8.524 365 HZ3 TRP 51 HZ3 TRP 51 -7.589 15.663 -12.420 366 HH2 TRP 51 HH2 TRP 51 -6.839 14.686 -10.312 367 HA PRO 52 HA PRO 52 -7.552 22.156 -16.696 368 HB2 PRO 52 HB2 PRO 52 -10.186 21.448 -16.693 369 HB3 PRO 52 HB3 PRO 52 -8.887 20.361 -17.253 370 HG2 PRO 52 HG2 PRO 52 -10.311 20.435 -14.600 371 HG3 PRO 52 HG3 PRO 52 -9.860 19.025 -15.605 372 HD2 PRO 52 HD2 PRO 52 -8.418 19.802 -13.433 373 HD3 PRO 52 HD3 PRO 52 -7.666 19.040 -14.871 374 H LYS 53 H LYS 53 -9.238 22.278 -13.579 375 HA LYS 53 HA LYS 53 -10.794 24.624 -14.200 376 HB2 LYS 53 HB2 LYS 53 -10.820 22.791 -12.189 377 HB3 LYS 53 HB3 LYS 53 -10.004 24.138 -11.372 378 HG2 LYS 53 HG2 LYS 53 -11.850 25.575 -11.657 379 HG3 LYS 53 HG3 LYS 53 -12.601 24.502 -12.863 380 HD2 LYS 53 HD2 LYS 53 -12.158 23.763 -9.955 381 HD3 LYS 53 HD3 LYS 53 -13.677 24.425 -10.605 382 HE2 LYS 53 HE2 LYS 53 -13.715 22.499 -12.225 383 HE3 LYS 53 HE3 LYS 53 -12.329 21.814 -11.343 384 HZ1 LYS 53 HZ1 LYS 53 -15.055 21.599 -10.729 385 HZ2 LYS 53 HZ2 LYS 53 -14.328 22.491 -9.489 386 HZ3 LYS 53 HZ3 LYS 53 -13.740 20.953 -9.883 387 H ASP 54 H ASP 54 -7.610 24.071 -12.729 388 HA ASP 54 HA ASP 54 -7.247 26.905 -12.118 389 HB2 ASP 54 HB2 ASP 54 -5.132 24.725 -12.219 390 HB3 ASP 54 HB3 ASP 54 -5.053 26.270 -11.344 391 H LYS 55 H LYS 55 -6.537 24.716 -14.759 392 HA LYS 55 HA LYS 55 -4.538 26.349 -16.029 393 HB2 LYS 55 HB2 LYS 55 -5.966 23.887 -16.561 394 HB3 LYS 55 HB3 LYS 55 -5.933 24.895 -18.023 395 HG2 LYS 55 HG2 LYS 55 -3.723 24.605 -18.331 396 HG3 LYS 55 HG3 LYS 55 -3.362 24.697 -16.590 397 HD2 LYS 55 HD2 LYS 55 -3.828 22.428 -16.249 398 HD3 LYS 55 HD3 LYS 55 -4.759 22.296 -17.761 399 HE2 LYS 55 HE2 LYS 55 -2.829 21.287 -18.440 400 HE3 LYS 55 HE3 LYS 55 -2.410 22.973 -18.820 401 HZ1 LYS 55 HZ1 LYS 55 -1.057 21.228 -17.135 402 HZ2 LYS 55 HZ2 LYS 55 -1.751 22.398 -16.128 403 HZ3 LYS 55 HZ3 LYS 55 -0.734 22.868 -17.394 404 H ARG 56 H ARG 56 -8.070 26.009 -16.485 405 HA ARG 56 HA ARG 56 -8.310 27.817 -18.651 406 HB2 ARG 56 HB2 ARG 56 -10.672 28.000 -18.008 407 HB3 ARG 56 HB3 ARG 56 -10.116 26.318 -17.913 408 HG2 ARG 56 HG2 ARG 56 -10.391 26.205 -15.669 409 HG3 ARG 56 HG3 ARG 56 -9.927 27.905 -15.415 410 HD2 ARG 56 HD2 ARG 56 -12.332 27.373 -14.911 411 HD3 ARG 56 HD3 ARG 56 -12.082 28.678 -16.097 412 HE ARG 56 HE ARG 56 -13.049 27.368 -17.753 413 HH11 ARG 56 HH11 ARG 56 -12.401 25.457 -14.855 414 HH12 ARG 56 HH12 ARG 56 -13.324 24.061 -15.423 415 HH21 ARG 56 HH21 ARG 56 -14.239 25.563 -18.479 416 HH22 ARG 56 HH22 ARG 56 -14.359 24.121 -17.466 417 H GLU 57 H GLU 57 -7.671 28.371 -15.289 418 HA GLU 57 HA GLU 57 -8.458 31.218 -15.490 419 HB2 GLU 57 HB2 GLU 57 -7.446 29.479 -13.221 420 HB3 GLU 57 HB3 GLU 57 -7.627 31.238 -13.067 421 HG2 GLU 57 HG2 GLU 57 -10.051 30.880 -13.809 422 HG3 GLU 57 HG3 GLU 57 -9.763 29.155 -13.489 423 H LYS 58 H LYS 58 -5.682 29.172 -15.753 424 HA LYS 58 HA LYS 58 -3.464 29.627 -16.135 425 HB2 LYS 58 HB2 LYS 58 -4.579 32.346 -16.922 426 HB3 LYS 58 HB3 LYS 58 -2.916 31.808 -17.233 427 HG2 LYS 58 HG2 LYS 58 -5.107 30.043 -18.198 428 HG3 LYS 58 HG3 LYS 58 -4.881 31.599 -19.035 429 HD2 LYS 58 HD2 LYS 58 -3.439 30.302 -20.254 430 HD3 LYS 58 HD3 LYS 58 -2.331 30.842 -18.969 431 HE2 LYS 58 HE2 LYS 58 -2.617 28.776 -17.769 432 HE3 LYS 58 HE3 LYS 58 -3.908 28.256 -18.879 433 HZ1 LYS 58 HZ1 LYS 58 -1.228 27.696 -19.105 434 HZ2 LYS 58 HZ2 LYS 58 -1.497 28.883 -20.279 435 HZ3 LYS 58 HZ3 LYS 58 -2.409 27.459 -20.293 436 H VAL 59 H VAL 59 -4.051 29.666 -13.521 437 HA VAL 59 HA VAL 59 -2.359 31.924 -12.535 438 HB VAL 59 HB VAL 59 -4.655 32.412 -11.880 439 HG11 VAL 59 HG11 VAL 59 -6.056 30.941 -10.684 440 HG12 VAL 59 HG12 VAL 59 -5.350 29.951 -11.986 441 HG13 VAL 59 HG13 VAL 59 -4.719 29.823 -10.326 442 HG21 VAL 59 HG21 VAL 59 -3.927 31.595 -9.229 443 HG22 VAL 59 HG22 VAL 59 -2.459 32.082 -10.108 444 HG23 VAL 59 HG23 VAL 59 -3.829 33.210 -9.970 445 H ASP 60 H ASP 60 -0.605 31.282 -11.491 446 HA ASP 60 HA ASP 60 -0.013 28.521 -11.100 447 HB2 ASP 60 HB2 ASP 60 1.308 30.785 -9.573 448 HB3 ASP 60 HB3 ASP 60 2.024 29.252 -10.120 449 H ARG 61 H ARG 61 -0.748 27.142 -9.650 450 HA ARG 61 HA ARG 61 -1.542 28.240 -6.981 451 HB2 ARG 61 HB2 ARG 61 -2.791 25.903 -8.475 452 HB3 ARG 61 HB3 ARG 61 -3.270 26.495 -6.870 453 HG2 ARG 61 HG2 ARG 61 -3.288 28.555 -8.970 454 HG3 ARG 61 HG3 ARG 61 -4.430 27.215 -9.239 455 HD2 ARG 61 HD2 ARG 61 -4.877 27.678 -6.619 456 HD3 ARG 61 HD3 ARG 61 -4.382 29.309 -7.130 457 HE ARG 61 HE ARG 61 -6.251 28.452 -9.024 458 HH11 ARG 61 HH11 ARG 61 -6.136 28.996 -5.537 459 HH12 ARG 61 HH12 ARG 61 -7.846 29.425 -5.426 460 HH21 ARG 61 HH21 ARG 61 -8.457 29.007 -8.873 461 HH22 ARG 61 HH22 ARG 61 -9.155 29.431 -7.307 462 H CYS 62 H CYS 62 -1.096 27.004 -5.150 463 HA CYS 62 HA CYS 62 1.327 25.487 -5.288 464 HB2 CYS 62 HB2 CYS 62 0.806 26.661 -3.264 465 HB3 CYS 62 HB3 CYS 62 -0.757 25.831 -3.108 466 H TYR 63 H TYR 63 1.740 23.392 -5.567 467 HA TYR 63 HA TYR 63 -0.519 21.472 -5.281 468 HB2 TYR 63 HB2 TYR 63 -0.075 20.426 -7.388 469 HB3 TYR 63 HB3 TYR 63 -0.219 22.170 -7.701 470 HD1 TYR 63 HD2 TYR 63 2.122 19.331 -7.498 471 HD2 TYR 63 HD1 TYR 63 1.670 23.450 -8.459 472 HE1 TYR 63 HE2 TYR 63 4.322 19.309 -8.595 473 HE2 TYR 63 HE1 TYR 63 3.868 23.440 -9.561 474 HH TYR 63 HH TYR 63 5.851 20.470 -9.696 475 H ILE 64 H ILE 64 0.085 19.309 -4.865 476 HA ILE 64 HA ILE 64 2.974 18.849 -4.344 477 HB ILE 64 HB ILE 64 0.794 18.417 -2.271 478 HG12 ILE 64 HG12 ILE 64 3.241 20.230 -2.263 479 HG13 ILE 64 HG13 ILE 64 1.560 20.765 -2.488 480 HG21 ILE 64 HG21 ILE 64 2.382 16.582 -2.234 481 HG22 ILE 64 HG22 ILE 64 3.747 17.724 -2.221 482 HG23 ILE 64 HG23 ILE 64 2.647 17.635 -0.822 483 HD11 ILE 64 HD11 ILE 64 3.031 20.202 -0.050 484 HD12 ILE 64 HD12 ILE 64 1.498 21.077 -0.290 485 HD13 ILE 64 HD13 ILE 64 1.496 19.305 -0.125 486 H CYS 65 H CYS 65 3.536 17.029 -5.304 487 HA CYS 65 HA CYS 65 1.494 14.843 -5.419 488 HB2 CYS 65 HB2 CYS 65 3.585 15.618 -7.489 489 HB3 CYS 65 HB3 CYS 65 2.588 14.150 -7.567 490 H ASN 66 H ASN 66 2.386 12.652 -5.573 491 HA ASN 66 HA ASN 66 4.513 12.331 -3.611 492 HB2 ASN 66 HB2 ASN 66 4.103 9.918 -3.901 493 HB3 ASN 66 HB3 ASN 66 2.578 10.805 -3.680 494 HD21 ASN 66 HD21 ASN 66 2.579 8.283 -4.715 495 HD22 ASN 66 HD22 ASN 66 2.142 8.357 -6.456 496 H ASN 67 H ASN 67 6.337 10.781 -3.993 497 HA ASN 67 HA ASN 67 8.021 11.774 -6.039 498 HB2 ASN 67 HB2 ASN 67 9.555 9.996 -5.424 499 HB3 ASN 67 HB3 ASN 67 8.780 10.621 -3.951 500 HD21 ASN 67 HD21 ASN 67 10.070 8.022 -4.591 501 HD22 ASN 67 HD22 ASN 67 8.824 6.788 -4.192 502 H GLU 68 H GLU 68 5.700 9.141 -6.018 503 HA GLU 68 HA GLU 68 6.703 7.959 -8.489 504 HB2 GLU 68 HB2 GLU 68 3.968 7.571 -7.232 505 HB3 GLU 68 HB3 GLU 68 4.820 6.477 -8.339 506 HG2 GLU 68 HG2 GLU 68 6.631 6.471 -6.422 507 HG3 GLU 68 HG3 GLU 68 5.242 6.959 -5.421 508 H LYS 69 H LYS 69 4.954 10.736 -7.746 509 HA LYS 69 HA LYS 69 3.663 12.177 -8.989 510 HB2 LYS 69 HB2 LYS 69 5.429 10.870 -11.053 511 HB3 LYS 69 HB3 LYS 69 4.179 12.017 -11.566 512 HG2 LYS 69 HG2 LYS 69 5.178 13.802 -10.414 513 HG3 LYS 69 HG3 LYS 69 6.192 12.715 -9.433 514 HD2 LYS 69 HD2 LYS 69 6.600 12.421 -12.329 515 HD3 LYS 69 HD3 LYS 69 6.994 14.045 -11.709 516 HE2 LYS 69 HE2 LYS 69 8.997 13.092 -11.264 517 HE3 LYS 69 HE3 LYS 69 8.157 12.511 -9.806 518 HZ1 LYS 69 HZ1 LYS 69 9.447 10.837 -11.246 519 HZ2 LYS 69 HZ2 LYS 69 8.123 10.916 -12.295 520 HZ3 LYS 69 HZ3 LYS 69 7.908 10.403 -10.697 521 H THR 70 H THR 70 2.566 9.518 -8.366 522 HA THR 70 HA THR 70 0.806 9.058 -10.723 523 HB THR 70 HB THR 70 0.130 6.989 -9.647 524 HG1 THR 70 HG1 THR 70 1.086 6.417 -7.593 525 HG21 THR 70 HG21 THR 70 2.923 6.558 -9.049 526 HG22 THR 70 HG22 THR 70 2.758 7.583 -10.494 527 HG23 THR 70 HG23 THR 70 1.966 5.990 -10.438 528 H LEU 71 H LEU 71 0.827 10.213 -7.409 529 HA LEU 71 HA LEU 71 -2.100 10.765 -7.689 530 HB2 LEU 71 HB2 LEU 71 -1.268 9.012 -5.939 531 HB3 LEU 71 HB3 LEU 71 -0.751 10.444 -5.021 532 HG LEU 71 HG LEU 71 -3.290 11.155 -5.478 533 HD11 LEU 71 HD11 LEU 71 -3.159 8.321 -6.168 534 HD12 LEU 71 HD12 LEU 71 -4.458 9.508 -6.432 535 HD13 LEU 71 HD13 LEU 71 -4.331 8.662 -4.873 536 HD21 LEU 71 HD21 LEU 71 -3.365 11.022 -3.253 537 HD22 LEU 71 HD22 LEU 71 -1.775 10.225 -3.323 538 HD23 LEU 71 HD23 LEU 71 -3.262 9.245 -3.291 539 H CYS 72 H CYS 72 -2.864 12.749 -6.997 540 HA CYS 72 HA CYS 72 -0.900 14.669 -5.895 541 HB2 CYS 72 HB2 CYS 72 -2.407 15.127 -8.498 542 HB3 CYS 72 HB3 CYS 72 -1.487 16.370 -7.624 543 H THR 73 H THR 73 -1.942 16.759 -5.293 544 HA THR 73 HA THR 73 -4.221 16.274 -3.676 545 HB THR 73 HB THR 73 -4.354 18.945 -3.878 546 HG1 THR 73 HG1 THR 73 -2.205 19.730 -4.349 547 HG21 THR 73 HG21 THR 73 -2.045 17.515 -2.516 548 HG22 THR 73 HG22 THR 73 -3.709 17.595 -1.885 549 HG23 THR 73 HG23 THR 73 -2.750 19.085 -2.061 550 H SER 74 H SER 74 -6.382 16.638 -3.876 551 HA SER 74 HA SER 74 -7.570 16.375 -6.413 552 HB2 SER 74 HB2 SER 74 -8.725 15.862 -4.293 553 HB3 SER 74 HB3 SER 74 -8.776 17.596 -3.896 554 HG SER 74 HG SER 74 -10.747 16.839 -4.836 555 H VAL 75 H VAL 75 -9.227 17.939 -7.345 556 HA VAL 75 HA VAL 75 -7.791 20.432 -7.927 557 HB VAL 75 HB VAL 75 -8.915 19.110 -9.715 558 HG11 VAL 75 HG11 VAL 75 -10.929 18.647 -8.108 559 HG12 VAL 75 HG12 VAL 75 -11.562 20.173 -8.772 560 HG13 VAL 75 HG13 VAL 75 -11.205 18.807 -9.859 561 HG21 VAL 75 HG21 VAL 75 -10.115 21.875 -9.383 562 HG22 VAL 75 HG22 VAL 75 -8.445 21.560 -9.911 563 HG23 VAL 75 HG23 VAL 75 -9.811 21.004 -10.905 564 H MET 76 H MET 76 -10.496 19.358 -5.999 565 HA MET 76 HA MET 76 -10.817 22.151 -5.044 566 HB2 MET 76 HB2 MET 76 -13.028 20.362 -6.091 567 HB3 MET 76 HB3 MET 76 -13.348 21.702 -4.972 568 HG2 MET 76 HG2 MET 76 -11.856 22.127 -7.554 569 HG3 MET 76 HG3 MET 76 -13.634 22.114 -7.488 570 HE1 MET 76 HE1 MET 76 -15.030 23.475 -6.593 571 HE2 MET 76 HE2 MET 76 -14.721 24.562 -5.216 572 HE3 MET 76 HE3 MET 76 -14.734 25.207 -6.876 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 4.880 0.368 -0.554 2 H2 GLY 1 H2 GLY 1 4.682 2.036 -0.791 3 H3 GLY 1 H3 GLY 1 4.628 1.390 0.777 4 HA2 GLY 1 HA2 GLY 1 2.751 -0.030 -0.505 5 HA3 GLY 1 HA3 GLY 1 2.474 1.347 0.578 6 H THR 2 H THR 2 0.615 0.802 -1.319 7 HA THR 2 HA THR 2 1.073 2.153 -3.811 8 HB THR 2 HB THR 2 -1.607 2.317 -3.601 9 HG1 THR 2 HG1 THR 2 -2.311 0.504 -2.307 10 HG21 THR 2 HG21 THR 2 -1.205 -0.425 -4.049 11 HG22 THR 2 HG22 THR 2 0.308 0.359 -4.562 12 HG23 THR 2 HG23 THR 2 -1.245 0.871 -5.268 13 HA PRO 3 HA PRO 3 0.518 6.413 -2.878 14 HB2 PRO 3 HB2 PRO 3 -0.942 7.280 -5.013 15 HB3 PRO 3 HB3 PRO 3 0.780 6.830 -5.129 16 HG2 PRO 3 HG2 PRO 3 -1.670 5.228 -5.841 17 HG3 PRO 3 HG3 PRO 3 -0.129 5.400 -6.735 18 HD2 PRO 3 HD2 PRO 3 -0.699 3.233 -5.189 19 HD3 PRO 3 HD3 PRO 3 0.966 3.863 -5.397 20 H SER 4 H SER 4 -0.797 7.711 -1.722 21 HA SER 4 HA SER 4 -3.724 7.339 -1.919 22 HB2 SER 4 HB2 SER 4 -2.291 7.117 0.759 23 HB3 SER 4 HB3 SER 4 -4.035 6.949 0.452 24 HG SER 4 HG SER 4 -2.967 4.909 0.658 25 H ALA 5 H ALA 5 -4.828 8.912 -0.286 26 HA ALA 5 HA ALA 5 -4.069 11.539 -1.029 27 HB1 ALA 5 HB1 ALA 5 -5.677 10.881 1.442 28 HB2 ALA 5 HB2 ALA 5 -5.809 12.298 0.373 29 HB3 ALA 5 HB3 ALA 5 -6.330 10.695 -0.201 30 H ASP 6 H ASP 6 -2.954 9.480 1.536 31 HA ASP 6 HA ASP 6 -1.970 11.597 3.250 32 HB2 ASP 6 HB2 ASP 6 -2.437 9.030 3.721 33 HB3 ASP 6 HB3 ASP 6 -0.741 8.851 3.218 34 H GLN 7 H GLN 7 -0.753 9.873 0.452 35 HA GLN 7 HA GLN 7 2.020 10.580 0.842 36 HB2 GLN 7 HB2 GLN 7 0.354 9.491 -1.404 37 HB3 GLN 7 HB3 GLN 7 1.948 10.168 -1.793 38 HG2 GLN 7 HG2 GLN 7 1.492 8.029 0.295 39 HG3 GLN 7 HG3 GLN 7 1.900 7.694 -1.404 40 HE21 GLN 7 HE21 GLN 7 3.200 7.606 1.484 41 HE22 GLN 7 HE22 GLN 7 4.872 8.165 1.133 42 H VAL 8 H VAL 8 -0.774 12.192 -0.515 43 HA VAL 8 HA VAL 8 0.943 14.298 -1.706 44 HB VAL 8 HB VAL 8 -1.203 15.255 -2.532 45 HG11 VAL 8 HG11 VAL 8 -1.687 13.446 -4.157 46 HG12 VAL 8 HG12 VAL 8 0.058 13.741 -3.949 47 HG13 VAL 8 HG13 VAL 8 -0.707 12.332 -3.174 48 HG21 VAL 8 HG21 VAL 8 -3.278 14.043 -2.294 49 HG22 VAL 8 HG22 VAL 8 -2.463 12.739 -1.398 50 HG23 VAL 8 HG23 VAL 8 -2.610 14.356 -0.674 51 H ARG 9 H ARG 9 0.606 13.788 1.253 52 HA ARG 9 HA ARG 9 -0.960 16.022 2.249 53 HB2 ARG 9 HB2 ARG 9 0.945 14.019 3.444 54 HB3 ARG 9 HB3 ARG 9 0.477 15.451 4.383 55 HG2 ARG 9 HG2 ARG 9 -1.526 13.555 3.146 56 HG3 ARG 9 HG3 ARG 9 -0.878 13.365 4.794 57 HD2 ARG 9 HD2 ARG 9 -2.726 14.594 5.304 58 HD3 ARG 9 HD3 ARG 9 -1.615 15.936 4.936 59 HE ARG 9 HE ARG 9 -3.002 15.040 2.570 60 HH11 ARG 9 HH11 ARG 9 -3.356 16.921 5.536 61 HH12 ARG 9 HH12 ARG 9 -4.615 17.966 4.867 62 HH21 ARG 9 HH21 ARG 9 -4.626 16.391 1.713 63 HH22 ARG 9 HH22 ARG 9 -5.332 17.666 2.711 64 H TYR 10 H TYR 10 0.335 17.434 4.007 65 HA TYR 10 HA TYR 10 2.857 18.418 2.795 66 HB2 TYR 10 HB2 TYR 10 2.122 20.687 2.620 67 HB3 TYR 10 HB3 TYR 10 0.901 19.692 1.798 68 HD1 TYR 10 HD1 TYR 10 1.615 21.718 4.794 69 HD2 TYR 10 HD2 TYR 10 -1.338 19.527 2.654 70 HE1 TYR 10 HE1 TYR 10 -0.136 22.717 6.201 71 HE2 TYR 10 HE2 TYR 10 -3.099 20.523 4.053 72 HH TYR 10 HH TYR 10 -3.581 21.899 5.716 73 H ASN 11 H ASN 11 4.057 19.871 4.185 74 HA ASN 11 HA ASN 11 3.279 19.528 7.057 75 HB2 ASN 11 HB2 ASN 11 5.518 19.118 7.653 76 HB3 ASN 11 HB3 ASN 11 5.310 18.192 6.150 77 HD21 ASN 11 HD21 ASN 11 7.514 19.834 7.712 78 HD22 ASN 11 HD22 ASN 11 8.354 20.669 6.359 79 H TYR 12 H TYR 12 3.546 21.239 8.445 80 HA TYR 12 HA TYR 12 3.580 23.858 7.174 81 HB2 TYR 12 HB2 TYR 12 3.362 22.915 10.048 82 HB3 TYR 12 HB3 TYR 12 3.425 24.638 9.616 83 HD1 TYR 12 HD2 TYR 12 1.678 25.356 7.758 84 HD2 TYR 12 HD1 TYR 12 1.291 21.914 10.227 85 HE1 TYR 12 HE2 TYR 12 -0.750 25.349 7.359 86 HE2 TYR 12 HE1 TYR 12 -1.136 21.895 9.833 87 HH TYR 12 HH TYR 12 -2.629 23.266 7.451 88 H THR 13 H THR 13 5.311 25.002 6.686 89 HA THR 13 HA THR 13 7.732 24.652 8.407 90 HB THR 13 HB THR 13 9.179 24.842 6.505 91 HG1 THR 13 HG1 THR 13 8.271 25.095 4.366 92 HG21 THR 13 HG21 THR 13 7.974 22.617 6.987 93 HG22 THR 13 HG22 THR 13 8.769 22.801 5.404 94 HG23 THR 13 HG23 THR 13 7.003 22.980 5.539 95 H GLU 14 H GLU 14 9.314 26.507 8.125 96 HA GLU 14 HA GLU 14 7.732 29.015 8.298 97 HB2 GLU 14 HB2 GLU 14 9.943 27.936 9.736 98 HB3 GLU 14 HB3 GLU 14 10.528 29.381 8.893 99 HG2 GLU 14 HG2 GLU 14 8.576 30.630 9.861 100 HG3 GLU 14 HG3 GLU 14 8.225 29.188 10.841 101 H LEU 15 H LEU 15 8.248 30.893 7.169 102 HA LEU 15 HA LEU 15 10.000 30.422 4.787 103 HB2 LEU 15 HB2 LEU 15 7.347 31.796 5.102 104 HB3 LEU 15 HB3 LEU 15 8.471 32.327 3.830 105 HG LEU 15 HG LEU 15 7.522 29.467 4.097 106 HD11 LEU 15 HD11 LEU 15 5.651 31.168 3.776 107 HD12 LEU 15 HD12 LEU 15 5.792 29.884 2.551 108 HD13 LEU 15 HD13 LEU 15 6.391 31.521 2.196 109 HD21 LEU 15 HD21 LEU 15 8.493 30.885 1.623 110 HD22 LEU 15 HD22 LEU 15 8.426 29.141 1.969 111 HD23 LEU 15 HD23 LEU 15 9.636 30.163 2.781 112 HA PRO 16 HA PRO 16 12.411 33.932 5.870 113 HB2 PRO 16 HB2 PRO 16 12.926 35.041 3.431 114 HB3 PRO 16 HB3 PRO 16 13.667 33.516 3.982 115 HG2 PRO 16 HG2 PRO 16 11.307 33.948 2.162 116 HG3 PRO 16 HG3 PRO 16 12.665 32.793 2.003 117 HD2 PRO 16 HD2 PRO 16 10.216 32.061 2.934 118 HD3 PRO 16 HD3 PRO 16 11.734 31.295 3.498 119 H ASN 17 H ASN 17 9.426 34.333 4.130 120 HA ASN 17 HA ASN 17 9.463 37.256 4.272 121 HB2 ASN 17 HB2 ASN 17 7.078 37.025 3.498 122 HB3 ASN 17 HB3 ASN 17 8.267 36.234 2.440 123 HD21 ASN 17 HD21 ASN 17 6.433 35.052 1.633 124 HD22 ASN 17 HD22 ASN 17 5.872 33.601 2.536 125 H GLY 18 H GLY 18 9.014 34.818 6.514 126 HA2 GLY 18 HA2 GLY 18 8.617 35.461 8.826 127 HA3 GLY 18 HA3 GLY 18 7.500 36.718 8.260 128 H GLU 19 H GLU 19 6.345 34.749 6.269 129 HA GLU 19 HA GLU 19 4.342 33.681 8.133 130 HB2 GLU 19 HB2 GLU 19 4.435 33.263 5.134 131 HB3 GLU 19 HB3 GLU 19 3.022 33.226 6.207 132 HG2 GLU 19 HG2 GLU 19 4.624 35.618 5.305 133 HG3 GLU 19 HG3 GLU 19 2.908 35.257 5.004 134 H TYR 20 H TYR 20 3.426 31.400 7.237 135 HA TYR 20 HA TYR 20 5.698 29.556 7.718 136 HB2 TYR 20 HB2 TYR 20 2.764 29.508 8.169 137 HB3 TYR 20 HB3 TYR 20 3.479 27.961 7.666 138 HD1 TYR 20 HD2 TYR 20 3.519 30.587 10.266 139 HD2 TYR 20 HD1 TYR 20 4.876 26.713 9.150 140 HE1 TYR 20 HE2 TYR 20 4.264 30.189 12.575 141 HE2 TYR 20 HE1 TYR 20 5.624 26.302 11.456 142 HH TYR 20 HH TYR 20 5.214 28.784 13.995 143 H CYS 21 H CYS 21 2.724 29.364 5.715 144 HA CYS 21 HA CYS 21 4.118 29.072 3.240 145 HB2 CYS 21 HB2 CYS 21 3.974 26.715 2.817 146 HB3 CYS 21 HB3 CYS 21 4.801 26.913 4.376 147 H TYR 22 H TYR 22 2.721 28.733 1.454 148 HA TYR 22 HA TYR 22 -0.052 29.491 2.092 149 HB2 TYR 22 HB2 TYR 22 1.617 29.356 -0.417 150 HB3 TYR 22 HB3 TYR 22 -0.152 29.464 -0.530 151 HD1 TYR 22 HD2 TYR 22 -0.828 31.281 1.656 152 HD2 TYR 22 HD1 TYR 22 2.432 31.426 -1.074 153 HE1 TYR 22 HE2 TYR 22 -0.703 33.720 1.944 154 HE2 TYR 22 HE1 TYR 22 2.567 33.866 -0.794 155 HH TYR 22 HH TYR 22 0.192 35.628 1.180 156 H THR 23 H THR 23 -1.678 28.123 2.270 157 HA THR 23 HA THR 23 -1.464 25.349 2.122 158 HB THR 23 HB THR 23 -4.092 25.662 1.461 159 HG1 THR 23 HG1 THR 23 -4.753 27.659 2.480 160 HG21 THR 23 HG21 THR 23 -3.740 24.587 3.458 161 HG22 THR 23 HG22 THR 23 -4.289 26.163 4.074 162 HG23 THR 23 HG23 THR 23 -2.551 25.785 4.022 163 HA PRO 24 HA PRO 24 -1.557 24.068 -2.080 164 HB2 PRO 24 HB2 PRO 24 -3.254 21.931 -2.015 165 HB3 PRO 24 HB3 PRO 24 -1.613 21.892 -1.316 166 HG2 PRO 24 HG2 PRO 24 -4.266 22.306 0.049 167 HG3 PRO 24 HG3 PRO 24 -2.872 21.304 0.558 168 HD2 PRO 24 HD2 PRO 24 -3.372 23.768 1.602 169 HD3 PRO 24 HD3 PRO 24 -1.713 23.120 1.401 170 H ARG 25 H ARG 25 -2.755 24.013 -4.025 171 HA ARG 25 HA ARG 25 -4.421 24.676 -5.457 172 HB2 ARG 25 HB2 ARG 25 -6.340 24.409 -3.118 173 HB3 ARG 25 HB3 ARG 25 -6.728 24.340 -4.850 174 HG2 ARG 25 HG2 ARG 25 -4.927 22.338 -3.477 175 HG3 ARG 25 HG3 ARG 25 -6.689 22.131 -3.633 176 HD2 ARG 25 HD2 ARG 25 -5.780 20.948 -5.452 177 HD3 ARG 25 HD3 ARG 25 -6.340 22.490 -6.143 178 HE ARG 25 HE ARG 25 -3.534 22.483 -5.313 179 HH11 ARG 25 HH11 ARG 25 -5.853 21.830 -7.893 180 HH12 ARG 25 HH12 ARG 25 -4.658 22.010 -9.180 181 HH21 ARG 25 HH21 ARG 25 -1.995 22.714 -6.978 182 HH22 ARG 25 HH22 ARG 25 -2.481 22.508 -8.665 183 H ARG 26 H ARG 26 -3.024 26.542 -3.487 184 HA ARG 26 HA ARG 26 -4.999 28.782 -3.655 185 HB2 ARG 26 HB2 ARG 26 -3.591 27.858 -1.450 186 HB3 ARG 26 HB3 ARG 26 -2.609 29.233 -2.000 187 HG2 ARG 26 HG2 ARG 26 -5.481 29.808 -1.938 188 HG3 ARG 26 HG3 ARG 26 -4.808 29.366 -0.350 189 HD2 ARG 26 HD2 ARG 26 -3.370 31.175 -0.307 190 HD3 ARG 26 HD3 ARG 26 -3.340 31.330 -2.080 191 HE ARG 26 HE ARG 26 -5.211 32.692 -1.993 192 HH11 ARG 26 HH11 ARG 26 -4.720 31.068 1.102 193 HH12 ARG 26 HH12 ARG 26 -5.947 32.025 1.939 194 HH21 ARG 26 HH21 ARG 26 -6.792 33.925 -0.908 195 HH22 ARG 26 HH22 ARG 26 -7.116 33.638 0.804 196 H ARG 27 H ARG 27 -4.418 30.730 -4.555 197 HA ARG 27 HA ARG 27 -2.502 30.636 -6.659 198 HB2 ARG 27 HB2 ARG 27 -4.364 32.152 -6.792 199 HB3 ARG 27 HB3 ARG 27 -3.890 32.962 -5.285 200 HG2 ARG 27 HG2 ARG 27 -1.884 33.836 -6.365 201 HG3 ARG 27 HG3 ARG 27 -2.311 32.988 -7.871 202 HD2 ARG 27 HD2 ARG 27 -3.011 35.238 -8.153 203 HD3 ARG 27 HD3 ARG 27 -4.486 34.290 -7.843 204 HE ARG 27 HE ARG 27 -3.579 35.240 -5.353 205 HH11 ARG 27 HH11 ARG 27 -4.756 36.522 -8.424 206 HH12 ARG 27 HH12 ARG 27 -5.459 37.969 -7.689 207 HH21 ARG 27 HH21 ARG 27 -4.489 37.108 -4.412 208 HH22 ARG 27 HH22 ARG 27 -5.309 38.299 -5.428 209 H CYS 28 H CYS 28 -0.374 30.860 -6.690 210 HA CYS 28 HA CYS 28 0.903 32.467 -4.534 211 HB2 CYS 28 HB2 CYS 28 2.705 30.728 -4.363 212 HB3 CYS 28 HB3 CYS 28 1.123 30.184 -3.766 213 H THR 29 H THR 29 3.302 32.804 -5.041 214 HA THR 29 HA THR 29 3.559 33.235 -7.994 215 HB THR 29 HB THR 29 3.354 35.388 -6.975 216 HG1 THR 29 HG1 THR 29 5.483 36.250 -7.397 217 HG21 THR 29 HG21 THR 29 5.387 34.371 -4.969 218 HG22 THR 29 HG22 THR 29 3.721 34.921 -4.662 219 HG23 THR 29 HG23 THR 29 4.970 36.091 -5.151 220 H SER 30 H SER 30 5.099 32.233 -4.988 221 HA SER 30 HA SER 30 7.410 31.264 -6.623 222 HB2 SER 30 HB2 SER 30 7.654 31.918 -3.681 223 HB3 SER 30 HB3 SER 30 8.928 31.816 -4.919 224 HG SER 30 HG SER 30 7.343 33.945 -4.180 225 H ALA 31 H ALA 31 8.069 29.191 -6.356 226 HA ALA 31 HA ALA 31 6.210 27.323 -5.266 227 HB1 ALA 31 HB1 ALA 31 7.521 26.411 -6.926 228 HB2 ALA 31 HB2 ALA 31 9.012 27.168 -6.318 229 HB3 ALA 31 HB3 ALA 31 8.320 25.764 -5.473 230 H ASP 32 H ASP 32 9.115 28.853 -3.951 231 HA ASP 32 HA ASP 32 9.565 27.186 -1.730 232 HB2 ASP 32 HB2 ASP 32 10.809 29.341 -2.626 233 HB3 ASP 32 HB3 ASP 32 9.789 30.173 -1.431 234 H GLN 33 H GLN 33 7.164 29.741 -2.218 235 HA GLN 33 HA GLN 33 6.314 29.848 0.532 236 HB2 GLN 33 HB2 GLN 33 4.940 30.623 -2.064 237 HB3 GLN 33 HB3 GLN 33 4.252 30.935 -0.457 238 HG2 GLN 33 HG2 GLN 33 5.723 32.606 0.009 239 HG3 GLN 33 HG3 GLN 33 7.029 31.881 -0.957 240 HE21 GLN 33 HE21 GLN 33 3.675 32.677 -1.842 241 HE22 GLN 33 HE22 GLN 33 4.117 33.837 -3.144 242 H CYS 34 H CYS 34 5.244 28.010 -2.320 243 HA CYS 34 HA CYS 34 2.883 26.904 -1.312 244 HB2 CYS 34 HB2 CYS 34 3.528 26.523 -3.601 245 HB3 CYS 34 HB3 CYS 34 5.014 25.687 -3.104 246 H CYS 35 H CYS 35 2.378 25.638 0.334 247 HA CYS 35 HA CYS 35 4.203 24.772 2.266 248 HB2 CYS 35 HB2 CYS 35 1.494 23.614 1.511 249 HB3 CYS 35 HB3 CYS 35 2.382 23.183 2.987 250 H ARG 36 H ARG 36 5.728 23.279 2.336 251 HA ARG 36 HA ARG 36 6.169 21.491 0.130 252 HB2 ARG 36 HB2 ARG 36 7.411 21.982 2.808 253 HB3 ARG 36 HB3 ARG 36 7.756 20.429 2.016 254 HG2 ARG 36 HG2 ARG 36 8.824 21.453 0.206 255 HG3 ARG 36 HG3 ARG 36 8.101 23.042 0.558 256 HD2 ARG 36 HD2 ARG 36 10.416 23.098 1.203 257 HD3 ARG 36 HD3 ARG 36 9.421 23.101 2.677 258 HE ARG 36 HE ARG 36 9.992 20.423 2.206 259 HH11 ARG 36 HH11 ARG 36 11.839 23.393 2.685 260 HH12 ARG 36 HH12 ARG 36 13.211 22.566 3.430 261 HH21 ARG 36 HH21 ARG 36 11.766 19.359 3.169 262 HH22 ARG 36 HH22 ARG 36 13.170 20.291 3.701 263 HA PRO 37 HA PRO 37 3.892 17.881 1.176 264 HB2 PRO 37 HB2 PRO 37 5.634 15.887 0.518 265 HB3 PRO 37 HB3 PRO 37 4.801 16.892 -0.697 266 HG2 PRO 37 HG2 PRO 37 7.602 17.125 0.383 267 HG3 PRO 37 HG3 PRO 37 7.022 17.272 -1.304 268 HD2 PRO 37 HD2 PRO 37 7.589 19.433 0.248 269 HD3 PRO 37 HD3 PRO 37 6.308 19.450 -1.003 270 H TYR 38 H TYR 38 3.730 16.033 2.580 271 HA TYR 38 HA TYR 38 4.845 16.508 5.159 272 HB2 TYR 38 HB2 TYR 38 2.710 15.228 4.539 273 HB3 TYR 38 HB3 TYR 38 3.765 13.839 4.205 274 HD1 TYR 38 HD2 TYR 38 5.275 13.027 6.113 275 HD2 TYR 38 HD1 TYR 38 1.983 15.653 6.719 276 HE1 TYR 38 HE2 TYR 38 5.233 12.415 8.494 277 HE2 TYR 38 HE1 TYR 38 1.932 15.049 9.102 278 HH TYR 38 HH TYR 38 4.086 12.544 10.415 279 H ASP 39 H ASP 39 5.968 14.666 2.414 280 HA ASP 39 HA ASP 39 8.450 14.070 3.918 281 HB2 ASP 39 HB2 ASP 39 6.665 12.087 3.825 282 HB3 ASP 39 HB3 ASP 39 7.358 11.865 2.204 283 H THR 40 H THR 40 9.799 15.293 2.748 284 HA THR 40 HA THR 40 9.550 15.821 -0.027 285 HB THR 40 HB THR 40 12.180 16.179 0.252 286 HG1 THR 40 HG1 THR 40 12.625 16.647 2.496 287 HG21 THR 40 HG21 THR 40 10.710 18.102 1.942 288 HG22 THR 40 HG22 THR 40 9.965 17.786 0.358 289 HG23 THR 40 HG23 THR 40 11.645 18.364 0.450 290 H THR 41 H THR 41 10.809 13.063 1.678 291 HA THR 41 HA THR 41 12.401 12.082 -0.559 292 HB THR 41 HB THR 41 12.581 9.998 0.764 293 HG1 THR 41 HG1 THR 41 11.021 11.316 2.774 294 HG21 THR 41 HG21 THR 41 14.087 11.926 1.204 295 HG22 THR 41 HG22 THR 41 13.803 10.926 2.650 296 HG23 THR 41 HG23 THR 41 12.963 12.484 2.466 297 H ALA 42 H ALA 42 9.079 12.135 0.222 298 HA ALA 42 HA ALA 42 8.591 10.076 -1.887 299 HB1 ALA 42 HB1 ALA 42 8.151 9.189 0.424 300 HB2 ALA 42 HB2 ALA 42 6.868 10.415 0.579 301 HB3 ALA 42 HB3 ALA 42 6.748 9.157 -0.672 302 H ALA 43 H ALA 43 8.683 13.119 -1.714 303 HA ALA 43 HA ALA 43 6.554 13.629 -3.523 304 HB1 ALA 43 HB1 ALA 43 5.249 15.217 -1.965 305 HB2 ALA 43 HB2 ALA 43 4.939 13.468 -1.839 306 HB3 ALA 43 HB3 ALA 43 5.974 14.278 -0.638 307 H PHE 44 H PHE 44 6.275 15.992 -3.975 308 HA PHE 44 HA PHE 44 8.593 17.596 -3.021 309 HB2 PHE 44 HB2 PHE 44 8.923 18.375 -5.423 310 HB3 PHE 44 HB3 PHE 44 9.436 16.709 -5.074 311 HD1 PHE 44 HD2 PHE 44 8.057 14.815 -5.850 312 HD2 PHE 44 HD1 PHE 44 7.172 18.827 -6.954 313 HE1 PHE 44 HE2 PHE 44 6.639 13.992 -7.684 314 HE2 PHE 44 HE1 PHE 44 5.750 18.013 -8.790 315 HZ PHE 44 HZ PHE 44 5.484 15.593 -9.158 316 H HIS 45 H HIS 45 8.409 19.920 -3.864 317 HA HIS 45 HA HIS 45 5.516 20.691 -3.816 318 HB2 HIS 45 HB2 HIS 45 6.018 22.557 -2.436 319 HB3 HIS 45 HB3 HIS 45 6.902 21.192 -1.715 320 HD2 HIS 45 HD2 HIS 45 7.639 24.541 -3.601 321 HE1 HIS 45 HE1 HIS 45 11.298 22.971 -2.137 322 HE2 HIS 45 HE2 HIS 45 10.187 24.971 -3.254 323 H GLY 46 H GLY 46 5.175 22.992 -4.643 324 HA2 GLY 46 HA2 GLY 46 6.901 24.385 -6.301 325 HA3 GLY 46 HA3 GLY 46 6.298 23.075 -7.334 326 H CYS 47 H CYS 47 5.895 25.838 -7.822 327 HA CYS 47 HA CYS 47 2.968 26.092 -7.261 328 HB2 CYS 47 HB2 CYS 47 5.200 28.076 -7.527 329 HB3 CYS 47 HB3 CYS 47 3.591 28.559 -8.105 330 H GLY 48 H GLY 48 1.637 25.712 -8.889 331 HA2 GLY 48 HA2 GLY 48 1.931 26.821 -11.481 332 HA3 GLY 48 HA3 GLY 48 2.581 25.172 -11.537 333 H ARG 49 H ARG 49 0.966 24.507 -12.983 334 HA ARG 49 HA ARG 49 -1.623 23.984 -11.604 335 HB2 ARG 49 HB2 ARG 49 -1.385 24.921 -14.486 336 HB3 ARG 49 HB3 ARG 49 -2.884 24.535 -13.617 337 HG2 ARG 49 HG2 ARG 49 -2.758 26.455 -12.293 338 HG3 ARG 49 HG3 ARG 49 -1.025 26.689 -12.633 339 HD2 ARG 49 HD2 ARG 49 -3.238 26.935 -14.692 340 HD3 ARG 49 HD3 ARG 49 -2.520 28.305 -13.813 341 HE ARG 49 HE ARG 49 -0.541 26.662 -15.168 342 HH11 ARG 49 HH11 ARG 49 -2.886 29.276 -15.529 343 HH12 ARG 49 HH12 ARG 49 -2.051 29.999 -16.909 344 HH21 ARG 49 HH21 ARG 49 0.533 27.601 -16.948 345 HH22 ARG 49 HH22 ARG 49 -0.123 29.054 -17.709 346 H ILE 50 H ILE 50 -2.121 21.905 -11.637 347 HA ILE 50 HA ILE 50 -0.834 20.222 -13.746 348 HB ILE 50 HB ILE 50 -1.298 18.319 -12.113 349 HG12 ILE 50 HG12 ILE 50 -1.382 20.485 -10.007 350 HG13 ILE 50 HG13 ILE 50 -2.882 19.896 -10.758 351 HG21 ILE 50 HG21 ILE 50 0.924 19.437 -12.544 352 HG22 ILE 50 HG22 ILE 50 0.624 20.426 -11.096 353 HG23 ILE 50 HG23 ILE 50 0.759 18.657 -10.952 354 HD11 ILE 50 HD11 ILE 50 -1.985 17.546 -10.098 355 HD12 ILE 50 HD12 ILE 50 -0.951 18.460 -8.972 356 HD13 ILE 50 HD13 ILE 50 -2.722 18.593 -8.862 357 H TRP 51 H TRP 51 -3.825 21.138 -12.170 358 HA TRP 51 HA TRP 51 -5.308 19.087 -13.729 359 HB2 TRP 51 HB2 TRP 51 -6.160 20.996 -11.520 360 HB3 TRP 51 HB3 TRP 51 -7.279 19.919 -12.387 361 HD1 TRP 51 HD1 TRP 51 -4.741 19.959 -9.592 362 HE1 TRP 51 HE1 TRP 51 -4.613 17.621 -8.466 363 HE3 TRP 51 HE3 TRP 51 -7.499 17.333 -13.003 364 HZ2 TRP 51 HZ2 TRP 51 -5.588 15.023 -9.019 365 HZ3 TRP 51 HZ3 TRP 51 -7.855 14.925 -12.632 366 HH2 TRP 51 HH2 TRP 51 -6.917 13.797 -10.682 367 HA PRO 52 HA PRO 52 -6.710 21.890 -16.812 368 HB2 PRO 52 HB2 PRO 52 -9.233 20.959 -17.272 369 HB3 PRO 52 HB3 PRO 52 -7.765 20.090 -17.792 370 HG2 PRO 52 HG2 PRO 52 -9.504 19.634 -15.376 371 HG3 PRO 52 HG3 PRO 52 -8.783 18.437 -16.496 372 HD2 PRO 52 HD2 PRO 52 -7.713 18.999 -14.058 373 HD3 PRO 52 HD3 PRO 52 -6.713 18.535 -15.471 374 H LYS 53 H LYS 53 -8.792 21.378 -13.984 375 HA LYS 53 HA LYS 53 -10.634 23.465 -14.391 376 HB2 LYS 53 HB2 LYS 53 -10.200 21.628 -12.430 377 HB3 LYS 53 HB3 LYS 53 -9.647 23.100 -11.609 378 HG2 LYS 53 HG2 LYS 53 -11.815 23.272 -11.029 379 HG3 LYS 53 HG3 LYS 53 -11.983 23.981 -12.655 380 HD2 LYS 53 HD2 LYS 53 -12.218 21.007 -12.244 381 HD3 LYS 53 HD3 LYS 53 -13.601 22.081 -11.919 382 HE2 LYS 53 HE2 LYS 53 -12.776 22.991 -14.357 383 HE3 LYS 53 HE3 LYS 53 -12.372 21.262 -14.479 384 HZ1 LYS 53 HZ1 LYS 53 -14.856 21.232 -13.401 385 HZ2 LYS 53 HZ2 LYS 53 -14.507 21.030 -15.044 386 HZ3 LYS 53 HZ3 LYS 53 -14.952 22.554 -14.455 387 H ASP 54 H ASP 54 -7.308 23.546 -13.203 388 HA ASP 54 HA ASP 54 -7.484 26.353 -12.411 389 HB2 ASP 54 HB2 ASP 54 -5.259 24.318 -12.616 390 HB3 ASP 54 HB3 ASP 54 -4.893 26.038 -12.351 391 H LYS 55 H LYS 55 -6.620 24.520 -15.269 392 HA LYS 55 HA LYS 55 -5.085 26.499 -16.613 393 HB2 LYS 55 HB2 LYS 55 -6.272 23.954 -17.210 394 HB3 LYS 55 HB3 LYS 55 -6.679 25.080 -18.520 395 HG2 LYS 55 HG2 LYS 55 -4.696 24.411 -19.348 396 HG3 LYS 55 HG3 LYS 55 -4.049 25.629 -18.222 397 HD2 LYS 55 HD2 LYS 55 -3.727 23.880 -16.522 398 HD3 LYS 55 HD3 LYS 55 -4.370 22.664 -17.655 399 HE2 LYS 55 HE2 LYS 55 -1.897 24.368 -18.096 400 HE3 LYS 55 HE3 LYS 55 -1.904 22.664 -17.584 401 HZ1 LYS 55 HZ1 LYS 55 -2.820 23.777 -20.183 402 HZ2 LYS 55 HZ2 LYS 55 -3.138 22.189 -19.696 403 HZ3 LYS 55 HZ3 LYS 55 -1.540 22.704 -19.909 404 H ARG 56 H ARG 56 -8.600 25.797 -16.737 405 HA ARG 56 HA ARG 56 -9.277 27.833 -18.581 406 HB2 ARG 56 HB2 ARG 56 -11.514 27.475 -17.951 407 HB3 ARG 56 HB3 ARG 56 -10.719 25.921 -17.628 408 HG2 ARG 56 HG2 ARG 56 -10.421 27.032 -15.217 409 HG3 ARG 56 HG3 ARG 56 -11.875 27.916 -15.747 410 HD2 ARG 56 HD2 ARG 56 -12.805 25.602 -16.388 411 HD3 ARG 56 HD3 ARG 56 -11.479 24.941 -15.403 412 HE ARG 56 HE ARG 56 -12.583 25.600 -13.475 413 HH11 ARG 56 HH11 ARG 56 -14.034 27.116 -16.314 414 HH12 ARG 56 HH12 ARG 56 -15.420 27.749 -15.421 415 HH21 ARG 56 HH21 ARG 56 -14.375 26.420 -12.327 416 HH22 ARG 56 HH22 ARG 56 -15.612 27.358 -13.172 417 H GLU 57 H GLU 57 -8.435 27.990 -15.201 418 HA GLU 57 HA GLU 57 -9.526 30.711 -14.910 419 HB2 GLU 57 HB2 GLU 57 -7.943 28.900 -13.055 420 HB3 GLU 57 HB3 GLU 57 -8.438 30.549 -12.626 421 HG2 GLU 57 HG2 GLU 57 -10.773 29.948 -12.832 422 HG3 GLU 57 HG3 GLU 57 -10.334 28.318 -13.394 423 H LYS 58 H LYS 58 -6.573 29.147 -15.808 424 HA LYS 58 HA LYS 58 -4.501 29.965 -16.360 425 HB2 LYS 58 HB2 LYS 58 -6.053 32.565 -16.651 426 HB3 LYS 58 HB3 LYS 58 -4.398 32.302 -17.235 427 HG2 LYS 58 HG2 LYS 58 -6.476 30.371 -18.135 428 HG3 LYS 58 HG3 LYS 58 -6.547 32.025 -18.793 429 HD2 LYS 58 HD2 LYS 58 -5.138 31.090 -20.330 430 HD3 LYS 58 HD3 LYS 58 -3.933 31.589 -19.118 431 HE2 LYS 58 HE2 LYS 58 -3.843 29.371 -18.199 432 HE3 LYS 58 HE3 LYS 58 -5.215 28.845 -19.204 433 HZ1 LYS 58 HZ1 LYS 58 -3.770 28.268 -20.762 434 HZ2 LYS 58 HZ2 LYS 58 -2.472 28.827 -19.834 435 HZ3 LYS 58 HZ3 LYS 58 -3.255 29.873 -20.909 436 H VAL 59 H VAL 59 -4.462 29.542 -13.824 437 HA VAL 59 HA VAL 59 -2.867 31.778 -12.770 438 HB VAL 59 HB VAL 59 -5.060 32.439 -11.973 439 HG11 VAL 59 HG11 VAL 59 -6.455 31.002 -10.596 440 HG12 VAL 59 HG12 VAL 59 -6.140 30.218 -12.164 441 HG13 VAL 59 HG13 VAL 59 -5.260 29.688 -10.712 442 HG21 VAL 59 HG21 VAL 59 -4.656 32.404 -9.542 443 HG22 VAL 59 HG22 VAL 59 -3.420 31.145 -9.772 444 HG23 VAL 59 HG23 VAL 59 -3.172 32.769 -10.457 445 H ASP 60 H ASP 60 -1.152 31.024 -11.719 446 HA ASP 60 HA ASP 60 -0.942 28.140 -11.282 447 HB2 ASP 60 HB2 ASP 60 1.048 30.312 -10.534 448 HB3 ASP 60 HB3 ASP 60 1.373 28.578 -10.741 449 H ARG 61 H ARG 61 -1.002 27.033 -9.410 450 HA ARG 61 HA ARG 61 -1.168 28.612 -6.889 451 HB2 ARG 61 HB2 ARG 61 -3.030 26.313 -7.587 452 HB3 ARG 61 HB3 ARG 61 -3.054 27.294 -6.106 453 HG2 ARG 61 HG2 ARG 61 -3.337 29.247 -7.934 454 HG3 ARG 61 HG3 ARG 61 -4.079 27.898 -8.825 455 HD2 ARG 61 HD2 ARG 61 -4.829 28.401 -5.957 456 HD3 ARG 61 HD3 ARG 61 -5.535 29.402 -7.249 457 HE ARG 61 HE ARG 61 -6.108 26.597 -6.653 458 HH11 ARG 61 HH11 ARG 61 -6.180 29.176 -9.062 459 HH12 ARG 61 HH12 ARG 61 -7.465 28.420 -10.010 460 HH21 ARG 61 HH21 ARG 61 -7.767 25.626 -7.881 461 HH22 ARG 61 HH22 ARG 61 -8.361 26.420 -9.343 462 H CYS 62 H CYS 62 -0.914 27.238 -4.928 463 HA CYS 62 HA CYS 62 1.444 25.652 -5.173 464 HB2 CYS 62 HB2 CYS 62 0.980 26.767 -3.095 465 HB3 CYS 62 HB3 CYS 62 -0.589 25.951 -2.936 466 H TYR 63 H TYR 63 1.818 23.529 -5.414 467 HA TYR 63 HA TYR 63 -0.492 21.668 -5.200 468 HB2 TYR 63 HB2 TYR 63 -0.118 20.685 -7.342 469 HB3 TYR 63 HB3 TYR 63 -0.186 22.441 -7.605 470 HD1 TYR 63 HD2 TYR 63 2.015 19.488 -7.520 471 HD2 TYR 63 HD1 TYR 63 1.763 23.656 -8.331 472 HE1 TYR 63 HE2 TYR 63 4.204 19.397 -8.638 473 HE2 TYR 63 HE1 TYR 63 3.951 23.578 -9.453 474 HH TYR 63 HH TYR 63 5.884 20.594 -9.510 475 H ILE 64 H ILE 64 0.084 19.453 -4.930 476 HA ILE 64 HA ILE 64 2.962 18.936 -4.407 477 HB ILE 64 HB ILE 64 0.766 18.405 -2.374 478 HG12 ILE 64 HG12 ILE 64 3.208 20.221 -2.246 479 HG13 ILE 64 HG13 ILE 64 1.533 20.767 -2.477 480 HG21 ILE 64 HG21 ILE 64 2.363 16.577 -2.419 481 HG22 ILE 64 HG22 ILE 64 3.722 17.724 -2.337 482 HG23 ILE 64 HG23 ILE 64 2.611 17.557 -0.954 483 HD11 ILE 64 HD11 ILE 64 2.894 19.737 -0.032 484 HD12 ILE 64 HD12 ILE 64 1.763 21.096 -0.231 485 HD13 ILE 64 HD13 ILE 64 1.154 19.423 -0.230 486 H CYS 65 H CYS 65 3.577 17.053 -5.222 487 HA CYS 65 HA CYS 65 1.482 14.949 -5.568 488 HB2 CYS 65 HB2 CYS 65 3.652 15.764 -7.537 489 HB3 CYS 65 HB3 CYS 65 2.639 14.313 -7.702 490 H ASN 66 H ASN 66 2.241 12.765 -5.589 491 HA ASN 66 HA ASN 66 4.308 12.323 -3.626 492 HB2 ASN 66 HB2 ASN 66 3.880 9.935 -4.029 493 HB3 ASN 66 HB3 ASN 66 2.351 10.833 -3.878 494 HD21 ASN 66 HD21 ASN 66 2.501 8.317 -5.022 495 HD22 ASN 66 HD22 ASN 66 2.142 8.470 -6.778 496 H ASN 67 H ASN 67 6.139 10.785 -3.967 497 HA ASN 67 HA ASN 67 7.933 11.835 -5.891 498 HB2 ASN 67 HB2 ASN 67 9.428 10.035 -5.248 499 HB3 ASN 67 HB3 ASN 67 8.573 10.614 -3.801 500 HD21 ASN 67 HD21 ASN 67 6.926 9.351 -2.885 501 HD22 ASN 67 HD22 ASN 67 6.838 7.585 -3.217 502 H GLU 68 H GLU 68 5.593 9.230 -6.078 503 HA GLU 68 HA GLU 68 6.724 8.101 -8.520 504 HB2 GLU 68 HB2 GLU 68 3.904 7.715 -7.473 505 HB3 GLU 68 HB3 GLU 68 4.848 6.624 -8.506 506 HG2 GLU 68 HG2 GLU 68 6.467 6.426 -6.539 507 HG3 GLU 68 HG3 GLU 68 5.190 7.196 -5.567 508 H LYS 69 H LYS 69 4.969 10.884 -7.801 509 HA LYS 69 HA LYS 69 3.799 12.389 -9.082 510 HB2 LYS 69 HB2 LYS 69 5.594 11.046 -11.099 511 HB3 LYS 69 HB3 LYS 69 4.409 12.252 -11.635 512 HG2 LYS 69 HG2 LYS 69 5.420 13.966 -10.353 513 HG3 LYS 69 HG3 LYS 69 6.419 12.800 -9.450 514 HD2 LYS 69 HD2 LYS 69 7.554 12.211 -11.602 515 HD3 LYS 69 HD3 LYS 69 6.643 13.527 -12.386 516 HE2 LYS 69 HE2 LYS 69 7.644 15.126 -10.768 517 HE3 LYS 69 HE3 LYS 69 8.610 13.793 -10.091 518 HZ1 LYS 69 HZ1 LYS 69 9.867 13.627 -12.020 519 HZ2 LYS 69 HZ2 LYS 69 9.668 15.299 -11.858 520 HZ3 LYS 69 HZ3 LYS 69 8.731 14.442 -12.975 521 H THR 70 H THR 70 2.613 9.736 -8.551 522 HA THR 70 HA THR 70 0.886 9.436 -10.962 523 HB THR 70 HB THR 70 0.177 7.303 -10.041 524 HG1 THR 70 HG1 THR 70 1.123 6.572 -8.033 525 HG21 THR 70 HG21 THR 70 2.038 6.212 -10.710 526 HG22 THR 70 HG22 THR 70 3.061 7.005 -9.489 527 HG23 THR 70 HG23 THR 70 2.684 7.841 -11.014 528 H LEU 71 H LEU 71 0.854 10.142 -7.494 529 HA LEU 71 HA LEU 71 -2.054 10.798 -7.762 530 HB2 LEU 71 HB2 LEU 71 -1.136 8.949 -6.117 531 HB3 LEU 71 HB3 LEU 71 -0.736 10.357 -5.106 532 HG LEU 71 HG LEU 71 -3.525 10.066 -6.169 533 HD11 LEU 71 HD11 LEU 71 -4.011 8.834 -3.976 534 HD12 LEU 71 HD12 LEU 71 -2.272 8.457 -3.945 535 HD13 LEU 71 HD13 LEU 71 -3.279 7.898 -5.301 536 HD21 LEU 71 HD21 LEU 71 -2.283 11.204 -3.649 537 HD22 LEU 71 HD22 LEU 71 -4.031 11.145 -3.985 538 HD23 LEU 71 HD23 LEU 71 -2.955 12.114 -5.024 539 H CYS 72 H CYS 72 -2.708 12.820 -7.376 540 HA CYS 72 HA CYS 72 -0.809 14.651 -5.988 541 HB2 CYS 72 HB2 CYS 72 -2.250 15.224 -8.606 542 HB3 CYS 72 HB3 CYS 72 -1.342 16.422 -7.659 543 H THR 73 H THR 73 -1.860 16.729 -5.345 544 HA THR 73 HA THR 73 -4.083 16.259 -3.715 545 HB THR 73 HB THR 73 -4.382 18.916 -4.137 546 HG1 THR 73 HG1 THR 73 -2.257 19.751 -4.631 547 HG21 THR 73 HG21 THR 73 -3.233 19.188 -2.166 548 HG22 THR 73 HG22 THR 73 -1.908 18.108 -2.660 549 HG23 THR 73 HG23 THR 73 -3.466 17.424 -2.133 550 H SER 74 H SER 74 -6.277 16.569 -3.836 551 HA SER 74 HA SER 74 -7.554 16.000 -6.275 552 HB2 SER 74 HB2 SER 74 -8.827 15.593 -4.341 553 HB3 SER 74 HB3 SER 74 -8.507 17.213 -3.673 554 HG SER 74 HG SER 74 -10.652 17.001 -4.513 555 H VAL 75 H VAL 75 -8.797 17.209 -7.736 556 HA VAL 75 HA VAL 75 -7.625 19.718 -8.474 557 HB VAL 75 HB VAL 75 -8.736 18.125 -10.055 558 HG11 VAL 75 HG11 VAL 75 -11.317 19.295 -8.977 559 HG12 VAL 75 HG12 VAL 75 -11.138 18.089 -10.274 560 HG13 VAL 75 HG13 VAL 75 -10.711 17.665 -8.599 561 HG21 VAL 75 HG21 VAL 75 -8.310 20.642 -10.443 562 HG22 VAL 75 HG22 VAL 75 -9.418 19.795 -11.549 563 HG23 VAL 75 HG23 VAL 75 -10.070 20.823 -10.250 564 H MET 76 H MET 76 -10.283 18.841 -6.395 565 HA MET 76 HA MET 76 -10.809 21.755 -5.993 566 HB2 MET 76 HB2 MET 76 -13.198 21.205 -5.592 567 HB3 MET 76 HB3 MET 76 -12.684 20.847 -7.254 568 HG2 MET 76 HG2 MET 76 -12.714 18.536 -6.893 569 HG3 MET 76 HG3 MET 76 -12.705 18.719 -5.124 570 HE1 MET 76 HE1 MET 76 -15.304 19.021 -8.393 571 HE2 MET 76 HE2 MET 76 -14.366 17.599 -7.877 572 HE3 MET 76 HE3 MET 76 -16.118 17.670 -7.568 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 3.816 -0.588 0.932 2 H2 GLY 1 H2 GLY 1 3.238 -1.523 -0.363 3 H3 GLY 1 H3 GLY 1 4.008 -0.039 -0.663 4 HA2 GLY 1 HA2 GLY 1 1.309 -0.620 0.124 5 HA3 GLY 1 HA3 GLY 1 2.082 0.731 0.975 6 H THR 2 H THR 2 -0.144 0.630 -1.014 7 HA THR 2 HA THR 2 1.004 1.906 -3.397 8 HB THR 2 HB THR 2 -1.613 2.332 -3.745 9 HG1 THR 2 HG1 THR 2 -2.773 0.571 -2.739 10 HG21 THR 2 HG21 THR 2 -1.720 0.274 -4.973 11 HG22 THR 2 HG22 THR 2 -0.451 -0.460 -3.962 12 HG23 THR 2 HG23 THR 2 -0.045 0.869 -5.074 13 HA PRO 3 HA PRO 3 0.651 6.122 -2.205 14 HB2 PRO 3 HB2 PRO 3 -0.255 7.291 -4.498 15 HB3 PRO 3 HB3 PRO 3 1.406 6.670 -4.314 16 HG2 PRO 3 HG2 PRO 3 -0.978 5.392 -5.637 17 HG3 PRO 3 HG3 PRO 3 0.724 5.463 -6.190 18 HD2 PRO 3 HD2 PRO 3 -0.341 3.263 -4.993 19 HD3 PRO 3 HD3 PRO 3 1.379 3.727 -4.810 20 H SER 4 H SER 4 -0.752 7.591 -1.346 21 HA SER 4 HA SER 4 -3.609 7.430 -2.084 22 HB2 SER 4 HB2 SER 4 -2.712 7.075 0.803 23 HB3 SER 4 HB3 SER 4 -4.383 7.066 0.190 24 HG SER 4 HG SER 4 -3.546 4.938 0.534 25 H ALA 5 H ALA 5 -4.811 9.007 -0.348 26 HA ALA 5 HA ALA 5 -3.949 11.607 -1.039 27 HB1 ALA 5 HB1 ALA 5 -6.242 10.811 -0.212 28 HB2 ALA 5 HB2 ALA 5 -5.582 11.008 1.430 29 HB3 ALA 5 HB3 ALA 5 -5.680 12.410 0.336 30 H ASP 6 H ASP 6 -2.929 9.487 1.521 31 HA ASP 6 HA ASP 6 -1.887 11.540 3.269 32 HB2 ASP 6 HB2 ASP 6 -2.432 9.143 3.907 33 HB3 ASP 6 HB3 ASP 6 -0.949 8.657 3.056 34 H GLN 7 H GLN 7 -0.746 9.954 0.380 35 HA GLN 7 HA GLN 7 2.056 10.587 0.809 36 HB2 GLN 7 HB2 GLN 7 0.401 9.583 -1.497 37 HB3 GLN 7 HB3 GLN 7 2.053 10.159 -1.791 38 HG2 GLN 7 HG2 GLN 7 1.548 8.157 0.381 39 HG3 GLN 7 HG3 GLN 7 1.583 7.630 -1.318 40 HE21 GLN 7 HE21 GLN 7 3.447 6.769 -1.820 41 HE22 GLN 7 HE22 GLN 7 5.056 7.369 -1.281 42 H VAL 8 H VAL 8 -0.728 12.229 -0.521 43 HA VAL 8 HA VAL 8 0.999 14.330 -1.709 44 HB VAL 8 HB VAL 8 -1.157 15.309 -2.504 45 HG11 VAL 8 HG11 VAL 8 -1.662 13.484 -4.138 46 HG12 VAL 8 HG12 VAL 8 0.071 13.862 -3.984 47 HG13 VAL 8 HG13 VAL 8 -0.598 12.412 -3.198 48 HG21 VAL 8 HG21 VAL 8 -3.217 14.021 -2.311 49 HG22 VAL 8 HG22 VAL 8 -2.377 12.784 -1.345 50 HG23 VAL 8 HG23 VAL 8 -2.588 14.427 -0.695 51 H ARG 9 H ARG 9 0.675 13.802 1.247 52 HA ARG 9 HA ARG 9 -0.872 16.041 2.267 53 HB2 ARG 9 HB2 ARG 9 1.050 14.039 3.448 54 HB3 ARG 9 HB3 ARG 9 0.545 15.452 4.397 55 HG2 ARG 9 HG2 ARG 9 -1.506 13.685 3.092 56 HG3 ARG 9 HG3 ARG 9 -0.750 13.215 4.634 57 HD2 ARG 9 HD2 ARG 9 -1.941 15.957 4.263 58 HD3 ARG 9 HD3 ARG 9 -2.971 14.563 4.665 59 HE ARG 9 HE ARG 9 -1.086 15.949 6.416 60 HH11 ARG 9 HH11 ARG 9 -2.860 12.964 5.776 61 HH12 ARG 9 HH12 ARG 9 -2.813 12.432 7.459 62 HH21 ARG 9 HH21 ARG 9 -1.030 15.256 8.587 63 HH22 ARG 9 HH22 ARG 9 -1.783 13.725 9.046 64 H TYR 10 H TYR 10 0.434 17.441 4.021 65 HA TYR 10 HA TYR 10 2.971 18.401 2.827 66 HB2 TYR 10 HB2 TYR 10 2.257 20.669 2.600 67 HB3 TYR 10 HB3 TYR 10 1.027 19.676 1.791 68 HD1 TYR 10 HD1 TYR 10 1.758 21.749 4.751 69 HD2 TYR 10 HD2 TYR 10 -1.216 19.550 2.649 70 HE1 TYR 10 HE1 TYR 10 0.015 22.798 6.134 71 HE2 TYR 10 HE2 TYR 10 -2.968 20.593 4.025 72 HH TYR 10 HH TYR 10 -2.150 22.751 6.727 73 H ASN 11 H ASN 11 4.144 19.893 4.216 74 HA ASN 11 HA ASN 11 3.348 19.536 7.081 75 HB2 ASN 11 HB2 ASN 11 5.289 18.211 6.775 76 HB3 ASN 11 HB3 ASN 11 6.064 19.434 5.742 77 HD21 ASN 11 HD21 ASN 11 7.661 20.466 6.654 78 HD22 ASN 11 HD22 ASN 11 7.801 20.838 8.408 79 H TYR 12 H TYR 12 3.547 21.252 8.477 80 HA TYR 12 HA TYR 12 3.503 23.875 7.209 81 HB2 TYR 12 HB2 TYR 12 3.246 22.904 10.067 82 HB3 TYR 12 HB3 TYR 12 3.292 24.633 9.663 83 HD1 TYR 12 HD2 TYR 12 1.568 25.394 7.834 84 HD2 TYR 12 HD1 TYR 12 1.199 21.827 10.124 85 HE1 TYR 12 HE2 TYR 12 -0.849 25.357 7.375 86 HE2 TYR 12 HE1 TYR 12 -1.218 21.778 9.669 87 HH TYR 12 HH TYR 12 -2.773 24.311 7.683 88 H THR 13 H THR 13 5.363 24.701 6.501 89 HA THR 13 HA THR 13 7.722 24.524 8.332 90 HB THR 13 HB THR 13 9.118 24.980 6.348 91 HG1 THR 13 HG1 THR 13 8.074 24.914 4.259 92 HG21 THR 13 HG21 THR 13 7.274 22.719 5.585 93 HG22 THR 13 HG22 THR 13 8.274 22.624 7.056 94 HG23 THR 13 HG23 THR 13 9.047 22.817 5.465 95 H GLU 14 H GLU 14 9.254 26.408 8.168 96 HA GLU 14 HA GLU 14 7.630 28.887 8.376 97 HB2 GLU 14 HB2 GLU 14 9.807 27.791 9.848 98 HB3 GLU 14 HB3 GLU 14 10.405 29.267 9.063 99 HG2 GLU 14 HG2 GLU 14 8.405 30.466 10.003 100 HG3 GLU 14 HG3 GLU 14 8.050 28.995 10.938 101 H LEU 15 H LEU 15 8.151 30.807 7.322 102 HA LEU 15 HA LEU 15 9.970 30.435 4.975 103 HB2 LEU 15 HB2 LEU 15 7.302 31.783 5.272 104 HB3 LEU 15 HB3 LEU 15 8.452 32.364 4.046 105 HG LEU 15 HG LEU 15 7.551 29.480 4.184 106 HD11 LEU 15 HD11 LEU 15 5.609 31.070 3.955 107 HD12 LEU 15 HD12 LEU 15 5.835 29.940 2.599 108 HD13 LEU 15 HD13 LEU 15 6.346 31.636 2.437 109 HD21 LEU 15 HD21 LEU 15 9.640 30.258 2.905 110 HD22 LEU 15 HD22 LEU 15 8.501 31.063 1.798 111 HD23 LEU 15 HD23 LEU 15 8.432 29.297 2.016 112 HA PRO 16 HA PRO 16 12.329 33.921 6.238 113 HB2 PRO 16 HB2 PRO 16 12.893 35.120 3.854 114 HB3 PRO 16 HB3 PRO 16 13.632 33.581 4.367 115 HG2 PRO 16 HG2 PRO 16 11.313 34.063 2.509 116 HG3 PRO 16 HG3 PRO 16 12.682 32.923 2.339 117 HD2 PRO 16 HD2 PRO 16 10.216 32.142 3.187 118 HD3 PRO 16 HD3 PRO 16 11.727 31.366 3.758 119 H ASN 17 H ASN 17 9.395 34.373 4.419 120 HA ASN 17 HA ASN 17 9.405 37.286 4.687 121 HB2 ASN 17 HB2 ASN 17 7.145 37.157 3.727 122 HB3 ASN 17 HB3 ASN 17 8.288 36.175 2.782 123 HD21 ASN 17 HD21 ASN 17 5.832 35.585 2.266 124 HD22 ASN 17 HD22 ASN 17 5.294 34.089 3.106 125 H GLY 18 H GLY 18 8.909 34.760 6.813 126 HA2 GLY 18 HA2 GLY 18 8.430 35.306 9.135 127 HA3 GLY 18 HA3 GLY 18 7.317 36.571 8.582 128 H GLU 19 H GLU 19 6.247 34.675 6.481 129 HA GLU 19 HA GLU 19 4.189 33.524 8.225 130 HB2 GLU 19 HB2 GLU 19 4.413 33.170 5.225 131 HB3 GLU 19 HB3 GLU 19 2.955 33.111 6.235 132 HG2 GLU 19 HG2 GLU 19 3.778 35.629 6.753 133 HG3 GLU 19 HG3 GLU 19 4.409 35.428 5.103 134 H TYR 20 H TYR 20 3.344 31.255 7.197 135 HA TYR 20 HA TYR 20 5.621 29.427 7.733 136 HB2 TYR 20 HB2 TYR 20 2.684 29.347 8.118 137 HB3 TYR 20 HB3 TYR 20 3.401 27.820 7.559 138 HD1 TYR 20 HD2 TYR 20 3.390 30.322 10.275 139 HD2 TYR 20 HD1 TYR 20 4.789 26.510 9.006 140 HE1 TYR 20 HE2 TYR 20 4.097 29.821 12.577 141 HE2 TYR 20 HE1 TYR 20 5.499 25.999 11.303 142 HH TYR 20 HH TYR 20 5.029 28.357 13.947 143 H CYS 21 H CYS 21 2.711 29.245 5.636 144 HA CYS 21 HA CYS 21 4.181 29.032 3.200 145 HB2 CYS 21 HB2 CYS 21 4.063 26.676 2.715 146 HB3 CYS 21 HB3 CYS 21 4.875 26.860 4.285 147 H TYR 22 H TYR 22 2.846 28.786 1.372 148 HA TYR 22 HA TYR 22 0.067 29.515 1.919 149 HB2 TYR 22 HB2 TYR 22 1.773 29.266 -0.560 150 HB3 TYR 22 HB3 TYR 22 0.007 29.435 -0.695 151 HD1 TYR 22 HD2 TYR 22 -0.611 31.334 1.446 152 HD2 TYR 22 HD1 TYR 22 2.664 31.286 -1.270 153 HE1 TYR 22 HE2 TYR 22 -0.397 33.774 1.671 154 HE2 TYR 22 HE1 TYR 22 2.888 33.726 -1.051 155 HH TYR 22 HH TYR 22 0.572 35.625 0.864 156 H THR 23 H THR 23 -1.554 28.151 2.158 157 HA THR 23 HA THR 23 -1.375 25.377 2.059 158 HB THR 23 HB THR 23 -4.001 25.726 1.367 159 HG1 THR 23 HG1 THR 23 -4.627 27.732 2.389 160 HG21 THR 23 HG21 THR 23 -4.278 26.142 3.943 161 HG22 THR 23 HG22 THR 23 -2.513 25.911 3.975 162 HG23 THR 23 HG23 THR 23 -3.569 24.616 3.361 163 HA PRO 24 HA PRO 24 -1.473 24.006 -2.115 164 HB2 PRO 24 HB2 PRO 24 -3.199 21.897 -2.013 165 HB3 PRO 24 HB3 PRO 24 -1.564 21.848 -1.304 166 HG2 PRO 24 HG2 PRO 24 -4.216 22.331 0.038 167 HG3 PRO 24 HG3 PRO 24 -2.840 21.320 0.576 168 HD2 PRO 24 HD2 PRO 24 -3.309 23.812 1.563 169 HD3 PRO 24 HD3 PRO 24 -1.659 23.135 1.386 170 H ARG 25 H ARG 25 -2.625 24.007 -4.063 171 HA ARG 25 HA ARG 25 -4.269 24.674 -5.521 172 HB2 ARG 25 HB2 ARG 25 -5.745 23.556 -3.241 173 HB3 ARG 25 HB3 ARG 25 -6.674 24.781 -4.129 174 HG2 ARG 25 HG2 ARG 25 -7.107 22.526 -4.972 175 HG3 ARG 25 HG3 ARG 25 -6.340 23.549 -6.212 176 HD2 ARG 25 HD2 ARG 25 -4.569 21.902 -4.459 177 HD3 ARG 25 HD3 ARG 25 -5.525 21.059 -5.702 178 HE ARG 25 HE ARG 25 -3.184 22.697 -6.111 179 HH11 ARG 25 HH11 ARG 25 -6.280 21.751 -7.517 180 HH12 ARG 25 HH12 ARG 25 -5.753 22.040 -9.179 181 HH21 ARG 25 HH21 ARG 25 -2.510 23.068 -8.257 182 HH22 ARG 25 HH22 ARG 25 -3.626 22.782 -9.596 183 H ARG 26 H ARG 26 -2.927 26.520 -3.481 184 HA ARG 26 HA ARG 26 -4.912 28.750 -3.643 185 HB2 ARG 26 HB2 ARG 26 -3.487 27.822 -1.458 186 HB3 ARG 26 HB3 ARG 26 -2.503 29.194 -2.007 187 HG2 ARG 26 HG2 ARG 26 -5.376 29.778 -1.918 188 HG3 ARG 26 HG3 ARG 26 -4.682 29.333 -0.337 189 HD2 ARG 26 HD2 ARG 26 -4.114 31.511 -0.232 190 HD3 ARG 26 HD3 ARG 26 -2.773 31.027 -1.300 191 HE ARG 26 HE ARG 26 -3.726 32.235 -3.016 192 HH11 ARG 26 HH11 ARG 26 -6.115 31.648 -0.485 193 HH12 ARG 26 HH12 ARG 26 -7.336 32.690 -1.225 194 HH21 ARG 26 HH21 ARG 26 -5.306 33.575 -3.968 195 HH22 ARG 26 HH22 ARG 26 -6.880 33.776 -3.191 196 H ARG 27 H ARG 27 -4.376 30.691 -4.564 197 HA ARG 27 HA ARG 27 -2.487 30.647 -6.682 198 HB2 ARG 27 HB2 ARG 27 -4.505 32.164 -6.429 199 HB3 ARG 27 HB3 ARG 27 -3.542 33.132 -5.294 200 HG2 ARG 27 HG2 ARG 27 -1.958 33.689 -7.011 201 HG3 ARG 27 HG3 ARG 27 -2.734 32.565 -8.154 202 HD2 ARG 27 HD2 ARG 27 -3.398 34.850 -8.648 203 HD3 ARG 27 HD3 ARG 27 -4.796 33.922 -8.054 204 HE ARG 27 HE ARG 27 -3.547 35.238 -5.855 205 HH11 ARG 27 HH11 ARG 27 -5.425 35.919 -8.766 206 HH12 ARG 27 HH12 ARG 27 -6.155 37.383 -8.098 207 HH21 ARG 27 HH21 ARG 27 -4.493 37.127 -5.001 208 HH22 ARG 27 HH22 ARG 27 -5.630 38.066 -5.976 209 H CYS 28 H CYS 28 -0.355 30.616 -6.597 210 HA CYS 28 HA CYS 28 0.960 32.221 -4.443 211 HB2 CYS 28 HB2 CYS 28 2.767 30.513 -4.414 212 HB3 CYS 28 HB3 CYS 28 1.195 29.849 -3.918 213 H THR 29 H THR 29 3.278 32.744 -4.968 214 HA THR 29 HA THR 29 3.484 33.351 -7.894 215 HB THR 29 HB THR 29 3.153 35.388 -6.559 216 HG1 THR 29 HG1 THR 29 5.587 34.863 -7.898 217 HG21 THR 29 HG21 THR 29 4.311 35.930 -4.677 218 HG22 THR 29 HG22 THR 29 5.814 35.172 -5.255 219 HG23 THR 29 HG23 THR 29 4.514 34.166 -4.572 220 H SER 30 H SER 30 4.882 31.800 -5.176 221 HA SER 30 HA SER 30 7.215 31.062 -6.841 222 HB2 SER 30 HB2 SER 30 7.756 31.831 -3.978 223 HB3 SER 30 HB3 SER 30 8.869 31.777 -5.367 224 HG SER 30 HG SER 30 8.327 33.936 -4.742 225 H ALA 31 H ALA 31 7.990 29.031 -6.463 226 HA ALA 31 HA ALA 31 6.241 27.193 -5.149 227 HB1 ALA 31 HB1 ALA 31 8.338 25.650 -5.410 228 HB2 ALA 31 HB2 ALA 31 7.477 26.236 -6.854 229 HB3 ALA 31 HB3 ALA 31 8.991 27.020 -6.343 230 H ASP 32 H ASP 32 9.123 28.929 -4.102 231 HA ASP 32 HA ASP 32 9.821 27.410 -1.842 232 HB2 ASP 32 HB2 ASP 32 10.894 29.560 -2.901 233 HB3 ASP 32 HB3 ASP 32 9.856 30.424 -1.743 234 H GLN 33 H GLN 33 7.223 29.769 -2.294 235 HA GLN 33 HA GLN 33 6.535 29.822 0.537 236 HB2 GLN 33 HB2 GLN 33 5.188 30.827 -1.983 237 HB3 GLN 33 HB3 GLN 33 4.412 30.942 -0.391 238 HG2 GLN 33 HG2 GLN 33 5.427 32.917 -0.219 239 HG3 GLN 33 HG3 GLN 33 6.914 31.988 0.083 240 HE21 GLN 33 HE21 GLN 33 4.910 32.968 -2.714 241 HE22 GLN 33 HE22 GLN 33 6.296 33.518 -3.715 242 H CYS 34 H CYS 34 5.435 28.101 -2.360 243 HA CYS 34 HA CYS 34 3.041 27.009 -1.414 244 HB2 CYS 34 HB2 CYS 34 3.702 26.657 -3.694 245 HB3 CYS 34 HB3 CYS 34 5.186 25.813 -3.201 246 H CYS 35 H CYS 35 2.483 25.701 0.184 247 HA CYS 35 HA CYS 35 4.245 24.783 2.146 248 HB2 CYS 35 HB2 CYS 35 1.548 23.696 1.271 249 HB3 CYS 35 HB3 CYS 35 2.396 23.138 2.728 250 H ARG 36 H ARG 36 5.712 23.231 2.301 251 HA ARG 36 HA ARG 36 6.179 21.474 0.035 252 HB2 ARG 36 HB2 ARG 36 7.492 22.042 2.662 253 HB3 ARG 36 HB3 ARG 36 7.839 20.478 1.899 254 HG2 ARG 36 HG2 ARG 36 8.915 21.440 0.097 255 HG3 ARG 36 HG3 ARG 36 8.067 22.995 0.284 256 HD2 ARG 36 HD2 ARG 36 9.369 22.982 2.611 257 HD3 ARG 36 HD3 ARG 36 10.475 21.932 1.695 258 HE ARG 36 HE ARG 36 11.192 23.763 0.483 259 HH11 ARG 36 HH11 ARG 36 8.169 24.513 2.144 260 HH12 ARG 36 HH12 ARG 36 8.219 26.228 1.723 261 HH21 ARG 36 HH21 ARG 36 11.251 25.977 -0.057 262 HH22 ARG 36 HH22 ARG 36 9.959 27.053 0.480 263 HA PRO 37 HA PRO 37 4.005 17.842 1.214 264 HB2 PRO 37 HB2 PRO 37 5.764 15.869 0.538 265 HB3 PRO 37 HB3 PRO 37 4.877 16.836 -0.669 266 HG2 PRO 37 HG2 PRO 37 7.704 17.141 0.323 267 HG3 PRO 37 HG3 PRO 37 7.072 17.246 -1.349 268 HD2 PRO 37 HD2 PRO 37 7.643 19.446 0.148 269 HD3 PRO 37 HD3 PRO 37 6.325 19.416 -1.065 270 H TYR 38 H TYR 38 3.729 16.339 2.839 271 HA TYR 38 HA TYR 38 5.026 16.787 5.285 272 HB2 TYR 38 HB2 TYR 38 2.828 15.518 4.754 273 HB3 TYR 38 HB3 TYR 38 3.866 14.089 4.553 274 HD1 TYR 38 HD2 TYR 38 5.458 13.555 6.546 275 HD2 TYR 38 HD1 TYR 38 2.025 16.045 6.866 276 HE1 TYR 38 HE2 TYR 38 5.414 13.173 8.976 277 HE2 TYR 38 HE1 TYR 38 1.971 15.672 9.296 278 HH TYR 38 HH TYR 38 4.400 13.595 10.895 279 H ASP 39 H ASP 39 5.945 14.742 2.597 280 HA ASP 39 HA ASP 39 8.467 14.123 4.042 281 HB2 ASP 39 HB2 ASP 39 6.525 12.128 2.879 282 HB3 ASP 39 HB3 ASP 39 8.267 11.772 2.884 283 H THR 40 H THR 40 9.688 15.454 2.791 284 HA THR 40 HA THR 40 9.420 15.828 0.004 285 HB THR 40 HB THR 40 11.973 16.369 0.163 286 HG1 THR 40 HG1 THR 40 12.614 16.745 2.377 287 HG21 THR 40 HG21 THR 40 10.189 17.956 2.015 288 HG22 THR 40 HG22 THR 40 9.948 17.952 0.250 289 HG23 THR 40 HG23 THR 40 11.481 18.540 0.940 290 H THR 41 H THR 41 10.820 13.203 1.822 291 HA THR 41 HA THR 41 12.448 12.166 -0.338 292 HB THR 41 HB THR 41 12.558 10.096 1.035 293 HG1 THR 41 HG1 THR 41 11.488 10.154 3.109 294 HG21 THR 41 HG21 THR 41 13.668 11.104 2.998 295 HG22 THR 41 HG22 THR 41 12.946 12.678 2.586 296 HG23 THR 41 HG23 THR 41 14.121 11.922 1.483 297 H ALA 42 H ALA 42 9.087 12.139 0.368 298 HA ALA 42 HA ALA 42 8.709 10.074 -1.760 299 HB1 ALA 42 HB1 ALA 42 7.528 10.214 0.971 300 HB2 ALA 42 HB2 ALA 42 6.464 9.695 -0.359 301 HB3 ALA 42 HB3 ALA 42 7.967 8.803 -0.022 302 H ALA 43 H ALA 43 8.752 13.104 -1.654 303 HA ALA 43 HA ALA 43 6.646 13.552 -3.505 304 HB1 ALA 43 HB1 ALA 43 6.010 14.212 -0.639 305 HB2 ALA 43 HB2 ALA 43 5.333 15.188 -1.966 306 HB3 ALA 43 HB3 ALA 43 4.989 13.444 -1.880 307 H PHE 44 H PHE 44 6.351 15.905 -4.011 308 HA PHE 44 HA PHE 44 8.656 17.539 -3.074 309 HB2 PHE 44 HB2 PHE 44 9.067 18.265 -5.437 310 HB3 PHE 44 HB3 PHE 44 9.435 16.550 -5.147 311 HD1 PHE 44 HD2 PHE 44 7.822 14.815 -5.928 312 HD2 PHE 44 HD1 PHE 44 7.447 18.912 -7.016 313 HE1 PHE 44 HE2 PHE 44 6.344 14.181 -7.789 314 HE2 PHE 44 HE1 PHE 44 5.969 18.285 -8.879 315 HZ PHE 44 HZ PHE 44 5.414 15.917 -9.268 316 H HIS 45 H HIS 45 8.457 19.850 -3.984 317 HA HIS 45 HA HIS 45 5.562 20.608 -3.935 318 HB2 HIS 45 HB2 HIS 45 6.055 22.498 -2.581 319 HB3 HIS 45 HB3 HIS 45 6.918 21.138 -1.831 320 HD2 HIS 45 HD2 HIS 45 7.676 24.518 -3.604 321 HE1 HIS 45 HE1 HIS 45 11.355 22.837 -2.327 322 HE2 HIS 45 HE2 HIS 45 10.236 24.903 -3.305 323 H GLY 46 H GLY 46 5.213 22.898 -4.788 324 HA2 GLY 46 HA2 GLY 46 6.978 24.240 -6.478 325 HA3 GLY 46 HA3 GLY 46 6.290 22.953 -7.486 326 H CYS 47 H CYS 47 5.941 25.603 -8.151 327 HA CYS 47 HA CYS 47 3.059 26.026 -7.452 328 HB2 CYS 47 HB2 CYS 47 5.357 27.915 -7.754 329 HB3 CYS 47 HB3 CYS 47 3.777 28.459 -8.355 330 H GLY 48 H GLY 48 1.677 25.685 -9.045 331 HA2 GLY 48 HA2 GLY 48 1.904 26.765 -11.641 332 HA3 GLY 48 HA3 GLY 48 2.573 25.124 -11.721 333 H ARG 49 H ARG 49 0.873 24.594 -13.195 334 HA ARG 49 HA ARG 49 -1.682 24.050 -11.743 335 HB2 ARG 49 HB2 ARG 49 -1.307 25.033 -14.594 336 HB3 ARG 49 HB3 ARG 49 -2.830 24.363 -13.978 337 HG2 ARG 49 HG2 ARG 49 -3.357 26.244 -12.867 338 HG3 ARG 49 HG3 ARG 49 -1.682 26.515 -12.326 339 HD2 ARG 49 HD2 ARG 49 -2.647 28.248 -13.913 340 HD3 ARG 49 HD3 ARG 49 -1.082 27.540 -14.377 341 HE ARG 49 HE ARG 49 -3.378 26.155 -15.524 342 HH11 ARG 49 HH11 ARG 49 -1.113 28.843 -15.858 343 HH12 ARG 49 HH12 ARG 49 -1.312 28.952 -17.611 344 HH21 ARG 49 HH21 ARG 49 -3.627 26.301 -17.787 345 HH22 ARG 49 HH22 ARG 49 -2.729 27.518 -18.698 346 H ILE 50 H ILE 50 -2.332 22.000 -11.767 347 HA ILE 50 HA ILE 50 -1.011 20.188 -13.749 348 HB ILE 50 HB ILE 50 -1.487 18.374 -12.012 349 HG12 ILE 50 HG12 ILE 50 -1.471 20.620 -9.999 350 HG13 ILE 50 HG13 ILE 50 -3.007 20.102 -10.726 351 HG21 ILE 50 HG21 ILE 50 0.660 18.548 -11.319 352 HG22 ILE 50 HG22 ILE 50 0.704 19.883 -12.496 353 HG23 ILE 50 HG23 ILE 50 0.461 20.227 -10.765 354 HD11 ILE 50 HD11 ILE 50 -2.650 17.836 -9.909 355 HD12 ILE 50 HD12 ILE 50 -1.083 18.321 -9.216 356 HD13 ILE 50 HD13 ILE 50 -2.591 19.014 -8.576 357 H TRP 51 H TRP 51 -3.975 21.284 -12.280 358 HA TRP 51 HA TRP 51 -5.491 19.152 -13.706 359 HB2 TRP 51 HB2 TRP 51 -6.306 21.142 -11.556 360 HB3 TRP 51 HB3 TRP 51 -7.442 20.048 -12.376 361 HD1 TRP 51 HD1 TRP 51 -4.835 20.142 -9.636 362 HE1 TRP 51 HE1 TRP 51 -4.736 17.848 -8.423 363 HE3 TRP 51 HE3 TRP 51 -7.756 17.464 -12.866 364 HZ2 TRP 51 HZ2 TRP 51 -5.794 15.257 -8.847 365 HZ3 TRP 51 HZ3 TRP 51 -8.164 15.083 -12.389 366 HH2 TRP 51 HH2 TRP 51 -7.202 14.005 -10.422 367 HA PRO 52 HA PRO 52 -6.901 21.859 -16.871 368 HB2 PRO 52 HB2 PRO 52 -9.439 20.941 -17.269 369 HB3 PRO 52 HB3 PRO 52 -7.987 20.037 -17.775 370 HG2 PRO 52 HG2 PRO 52 -9.703 19.685 -15.324 371 HG3 PRO 52 HG3 PRO 52 -9.007 18.443 -16.410 372 HD2 PRO 52 HD2 PRO 52 -7.903 19.079 -14.006 373 HD3 PRO 52 HD3 PRO 52 -6.924 18.555 -15.413 374 H LYS 53 H LYS 53 -8.998 21.452 -14.028 375 HA LYS 53 HA LYS 53 -10.798 23.562 -14.492 376 HB2 LYS 53 HB2 LYS 53 -9.724 22.174 -12.068 377 HB3 LYS 53 HB3 LYS 53 -10.588 23.701 -11.816 378 HG2 LYS 53 HG2 LYS 53 -12.366 22.537 -13.411 379 HG3 LYS 53 HG3 LYS 53 -11.596 21.064 -12.772 380 HD2 LYS 53 HD2 LYS 53 -13.433 21.559 -11.336 381 HD3 LYS 53 HD3 LYS 53 -11.954 22.017 -10.456 382 HE2 LYS 53 HE2 LYS 53 -12.325 24.314 -10.802 383 HE3 LYS 53 HE3 LYS 53 -13.510 24.017 -12.095 384 HZ1 LYS 53 HZ1 LYS 53 -15.117 24.042 -10.590 385 HZ2 LYS 53 HZ2 LYS 53 -13.997 24.378 -9.367 386 HZ3 LYS 53 HZ3 LYS 53 -14.401 22.775 -9.729 387 H ASP 54 H ASP 54 -7.532 23.616 -13.076 388 HA ASP 54 HA ASP 54 -7.664 26.457 -12.472 389 HB2 ASP 54 HB2 ASP 54 -5.343 24.497 -12.614 390 HB3 ASP 54 HB3 ASP 54 -5.187 26.186 -12.086 391 H LYS 55 H LYS 55 -6.708 24.479 -15.200 392 HA LYS 55 HA LYS 55 -5.106 26.439 -16.542 393 HB2 LYS 55 HB2 LYS 55 -5.000 24.115 -17.197 394 HB3 LYS 55 HB3 LYS 55 -6.732 24.091 -17.578 395 HG2 LYS 55 HG2 LYS 55 -5.517 26.171 -19.106 396 HG3 LYS 55 HG3 LYS 55 -4.537 24.696 -19.284 397 HD2 LYS 55 HD2 LYS 55 -6.202 23.551 -20.346 398 HD3 LYS 55 HD3 LYS 55 -7.495 24.390 -19.454 399 HE2 LYS 55 HE2 LYS 55 -7.765 25.875 -21.098 400 HE3 LYS 55 HE3 LYS 55 -6.022 26.235 -21.140 401 HZ1 LYS 55 HZ1 LYS 55 -6.586 25.393 -23.252 402 HZ2 LYS 55 HZ2 LYS 55 -7.481 24.108 -22.612 403 HZ3 LYS 55 HZ3 LYS 55 -5.796 24.121 -22.465 404 H ARG 56 H ARG 56 -8.583 25.796 -16.435 405 HA ARG 56 HA ARG 56 -9.267 27.523 -18.631 406 HB2 ARG 56 HB2 ARG 56 -11.034 26.884 -16.251 407 HB3 ARG 56 HB3 ARG 56 -11.531 27.273 -17.909 408 HG2 ARG 56 HG2 ARG 56 -10.077 25.087 -18.424 409 HG3 ARG 56 HG3 ARG 56 -10.555 24.716 -16.749 410 HD2 ARG 56 HD2 ARG 56 -12.599 25.650 -18.751 411 HD3 ARG 56 HD3 ARG 56 -12.072 23.951 -18.729 412 HE ARG 56 HE ARG 56 -12.691 24.410 -16.109 413 HH11 ARG 56 HH11 ARG 56 -14.390 24.983 -19.150 414 HH12 ARG 56 HH12 ARG 56 -15.993 24.770 -18.436 415 HH21 ARG 56 HH21 ARG 56 -14.761 24.136 -15.193 416 HH22 ARG 56 HH22 ARG 56 -16.201 24.294 -16.204 417 H GLU 57 H GLU 57 -8.494 28.063 -15.272 418 HA GLU 57 HA GLU 57 -9.583 30.814 -15.366 419 HB2 GLU 57 HB2 GLU 57 -8.327 29.107 -13.205 420 HB3 GLU 57 HB3 GLU 57 -8.577 30.850 -12.981 421 HG2 GLU 57 HG2 GLU 57 -11.014 30.444 -13.548 422 HG3 GLU 57 HG3 GLU 57 -10.658 28.706 -13.413 423 H LYS 58 H LYS 58 -6.618 29.090 -15.819 424 HA LYS 58 HA LYS 58 -4.498 29.797 -16.331 425 HB2 LYS 58 HB2 LYS 58 -5.817 32.493 -16.826 426 HB3 LYS 58 HB3 LYS 58 -4.219 31.986 -17.406 427 HG2 LYS 58 HG2 LYS 58 -6.408 30.176 -18.168 428 HG3 LYS 58 HG3 LYS 58 -6.547 31.825 -18.829 429 HD2 LYS 58 HD2 LYS 58 -5.217 30.976 -20.459 430 HD3 LYS 58 HD3 LYS 58 -3.924 31.357 -19.292 431 HE2 LYS 58 HE2 LYS 58 -3.362 29.191 -19.642 432 HE3 LYS 58 HE3 LYS 58 -4.627 28.896 -18.425 433 HZ1 LYS 58 HZ1 LYS 58 -4.594 27.707 -20.790 434 HZ2 LYS 58 HZ2 LYS 58 -5.497 29.076 -21.207 435 HZ3 LYS 58 HZ3 LYS 58 -6.032 28.056 -19.965 436 H VAL 59 H VAL 59 -4.519 29.497 -13.820 437 HA VAL 59 HA VAL 59 -3.050 31.837 -12.770 438 HB VAL 59 HB VAL 59 -5.345 32.261 -12.017 439 HG11 VAL 59 HG11 VAL 59 -5.926 29.750 -12.075 440 HG12 VAL 59 HG12 VAL 59 -5.255 29.699 -10.426 441 HG13 VAL 59 HG13 VAL 59 -6.645 30.749 -10.792 442 HG21 VAL 59 HG21 VAL 59 -3.332 32.739 -10.564 443 HG22 VAL 59 HG22 VAL 59 -4.879 32.584 -9.699 444 HG23 VAL 59 HG23 VAL 59 -3.709 31.242 -9.679 445 H ASP 60 H ASP 60 -1.282 31.219 -11.721 446 HA ASP 60 HA ASP 60 -0.825 28.362 -11.309 447 HB2 ASP 60 HB2 ASP 60 0.883 30.800 -10.675 448 HB3 ASP 60 HB3 ASP 60 1.423 29.113 -10.519 449 H ARG 61 H ARG 61 -0.865 27.218 -9.467 450 HA ARG 61 HA ARG 61 -1.124 28.709 -6.906 451 HB2 ARG 61 HB2 ARG 61 -2.941 26.393 -7.650 452 HB3 ARG 61 HB3 ARG 61 -3.017 27.401 -6.190 453 HG2 ARG 61 HG2 ARG 61 -3.308 29.326 -8.022 454 HG3 ARG 61 HG3 ARG 61 -3.957 27.958 -8.958 455 HD2 ARG 61 HD2 ARG 61 -4.867 28.395 -6.130 456 HD3 ARG 61 HD3 ARG 61 -5.535 29.401 -7.435 457 HE ARG 61 HE ARG 61 -5.634 26.599 -8.110 458 HH11 ARG 61 HH11 ARG 61 -7.178 29.116 -6.176 459 HH12 ARG 61 HH12 ARG 61 -8.755 28.316 -6.172 460 HH21 ARG 61 HH21 ARG 61 -7.670 25.573 -8.103 461 HH22 ARG 61 HH22 ARG 61 -9.031 26.318 -7.258 462 H CYS 62 H CYS 62 -0.821 27.314 -4.993 463 HA CYS 62 HA CYS 62 1.525 25.712 -5.307 464 HB2 CYS 62 HB2 CYS 62 1.114 26.840 -3.217 465 HB3 CYS 62 HB3 CYS 62 -0.442 26.008 -3.010 466 H TYR 63 H TYR 63 1.885 23.539 -5.348 467 HA TYR 63 HA TYR 63 -0.447 21.726 -5.146 468 HB2 TYR 63 HB2 TYR 63 -0.151 20.726 -7.290 469 HB3 TYR 63 HB3 TYR 63 -0.189 22.481 -7.569 470 HD1 TYR 63 HD1 TYR 63 1.833 23.672 -8.232 471 HD2 TYR 63 HD2 TYR 63 1.886 19.461 -7.629 472 HE1 TYR 63 HE1 TYR 63 3.988 23.536 -9.409 473 HE2 TYR 63 HE2 TYR 63 4.042 19.313 -8.804 474 HH TYR 63 HH TYR 63 5.651 20.405 -9.857 475 H ILE 64 H ILE 64 0.110 19.507 -4.872 476 HA ILE 64 HA ILE 64 2.995 18.964 -4.420 477 HB ILE 64 HB ILE 64 0.847 18.459 -2.331 478 HG12 ILE 64 HG12 ILE 64 3.298 20.264 -2.255 479 HG13 ILE 64 HG13 ILE 64 1.626 20.821 -2.482 480 HG21 ILE 64 HG21 ILE 64 2.162 16.790 -1.650 481 HG22 ILE 64 HG22 ILE 64 3.424 17.220 -2.827 482 HG23 ILE 64 HG23 ILE 64 3.384 18.016 -1.235 483 HD11 ILE 64 HD11 ILE 64 1.486 21.023 -0.280 484 HD12 ILE 64 HD12 ILE 64 1.575 19.248 -0.165 485 HD13 ILE 64 HD13 ILE 64 3.058 20.225 -0.053 486 H CYS 65 H CYS 65 3.532 17.138 -5.386 487 HA CYS 65 HA CYS 65 1.400 15.057 -5.677 488 HB2 CYS 65 HB2 CYS 65 3.647 15.831 -7.574 489 HB3 CYS 65 HB3 CYS 65 2.670 14.357 -7.754 490 H ASN 66 H ASN 66 2.145 12.830 -5.780 491 HA ASN 66 HA ASN 66 4.077 12.316 -3.686 492 HB2 ASN 66 HB2 ASN 66 3.614 9.941 -4.152 493 HB3 ASN 66 HB3 ASN 66 2.106 10.876 -4.045 494 HD21 ASN 66 HD21 ASN 66 2.225 8.383 -5.232 495 HD22 ASN 66 HD22 ASN 66 1.946 8.577 -6.997 496 H ASN 67 H ASN 67 5.875 10.714 -3.963 497 HA ASN 67 HA ASN 67 7.801 11.748 -5.765 498 HB2 ASN 67 HB2 ASN 67 7.972 10.196 -3.602 499 HB3 ASN 67 HB3 ASN 67 8.028 8.907 -4.822 500 HD21 ASN 67 HD21 ASN 67 10.141 9.184 -3.205 501 HD22 ASN 67 HD22 ASN 67 11.525 9.903 -4.104 502 H GLU 68 H GLU 68 5.445 9.152 -6.104 503 HA GLU 68 HA GLU 68 6.656 8.099 -8.537 504 HB2 GLU 68 HB2 GLU 68 3.884 7.687 -7.358 505 HB3 GLU 68 HB3 GLU 68 4.584 6.755 -8.697 506 HG2 GLU 68 HG2 GLU 68 6.160 6.864 -6.182 507 HG3 GLU 68 HG3 GLU 68 4.634 5.947 -6.140 508 H LYS 69 H LYS 69 4.871 10.857 -7.799 509 HA LYS 69 HA LYS 69 3.782 12.416 -9.086 510 HB2 LYS 69 HB2 LYS 69 5.572 11.048 -11.088 511 HB3 LYS 69 HB3 LYS 69 4.400 12.257 -11.648 512 HG2 LYS 69 HG2 LYS 69 5.384 13.895 -10.068 513 HG3 LYS 69 HG3 LYS 69 6.608 12.680 -9.621 514 HD2 LYS 69 HD2 LYS 69 7.828 13.623 -11.264 515 HD3 LYS 69 HD3 LYS 69 6.793 12.666 -12.351 516 HE2 LYS 69 HE2 LYS 69 5.350 14.525 -12.748 517 HE3 LYS 69 HE3 LYS 69 6.102 15.470 -11.442 518 HZ1 LYS 69 HZ1 LYS 69 8.138 15.572 -12.720 519 HZ2 LYS 69 HZ2 LYS 69 6.856 16.170 -13.647 520 HZ3 LYS 69 HZ3 LYS 69 7.470 14.621 -13.949 521 H THR 70 H THR 70 2.619 9.668 -8.661 522 HA THR 70 HA THR 70 0.886 9.440 -11.063 523 HB THR 70 HB THR 70 0.099 7.347 -10.122 524 HG1 THR 70 HG1 THR 70 0.957 6.634 -8.070 525 HG21 THR 70 HG21 THR 70 1.926 6.440 -11.031 526 HG22 THR 70 HG22 THR 70 2.761 6.624 -9.469 527 HG23 THR 70 HG23 THR 70 2.865 7.912 -10.694 528 H LEU 71 H LEU 71 0.781 10.191 -7.599 529 HA LEU 71 HA LEU 71 -2.088 10.964 -7.971 530 HB2 LEU 71 HB2 LEU 71 -1.580 9.069 -6.372 531 HB3 LEU 71 HB3 LEU 71 -0.728 10.259 -5.360 532 HG LEU 71 HG LEU 71 -3.071 11.512 -5.511 533 HD11 LEU 71 HD11 LEU 71 -4.766 9.494 -5.209 534 HD12 LEU 71 HD12 LEU 71 -3.629 8.693 -6.320 535 HD13 LEU 71 HD13 LEU 71 -4.429 10.205 -6.804 536 HD21 LEU 71 HD21 LEU 71 -1.733 10.441 -3.539 537 HD22 LEU 71 HD22 LEU 71 -2.937 9.137 -3.675 538 HD23 LEU 71 HD23 LEU 71 -3.463 10.805 -3.342 539 H CYS 72 H CYS 72 -2.801 12.927 -7.180 540 HA CYS 72 HA CYS 72 -0.794 14.694 -5.903 541 HB2 CYS 72 HB2 CYS 72 -2.289 15.439 -8.448 542 HB3 CYS 72 HB3 CYS 72 -1.242 16.519 -7.504 543 H THR 73 H THR 73 -1.776 16.766 -5.161 544 HA THR 73 HA THR 73 -3.998 16.296 -3.524 545 HB THR 73 HB THR 73 -4.222 18.963 -3.780 546 HG1 THR 73 HG1 THR 73 -2.109 19.789 -4.342 547 HG21 THR 73 HG21 THR 73 -3.017 19.075 -1.842 548 HG22 THR 73 HG22 THR 73 -1.678 18.097 -2.487 549 HG23 THR 73 HG23 THR 73 -3.176 17.305 -1.940 550 H SER 74 H SER 74 -6.177 16.608 -3.632 551 HA SER 74 HA SER 74 -7.474 16.244 -6.098 552 HB2 SER 74 HB2 SER 74 -8.439 15.854 -3.791 553 HB3 SER 74 HB3 SER 74 -8.689 17.612 -3.667 554 HG SER 74 HG SER 74 -10.569 16.495 -4.421 555 H VAL 75 H VAL 75 -8.700 17.575 -7.460 556 HA VAL 75 HA VAL 75 -7.521 20.016 -8.188 557 HB VAL 75 HB VAL 75 -9.054 18.682 -9.624 558 HG11 VAL 75 HG11 VAL 75 -10.784 18.783 -7.499 559 HG12 VAL 75 HG12 VAL 75 -11.486 19.990 -8.605 560 HG13 VAL 75 HG13 VAL 75 -11.225 18.320 -9.160 561 HG21 VAL 75 HG21 VAL 75 -8.469 20.992 -10.208 562 HG22 VAL 75 HG22 VAL 75 -10.127 20.598 -10.719 563 HG23 VAL 75 HG23 VAL 75 -9.856 21.587 -9.263 564 H MET 76 H MET 76 -9.960 19.330 -5.763 565 HA MET 76 HA MET 76 -9.745 22.124 -4.842 566 HB2 MET 76 HB2 MET 76 -12.238 22.336 -4.657 567 HB3 MET 76 HB3 MET 76 -11.633 22.325 -6.326 568 HG2 MET 76 HG2 MET 76 -12.256 19.960 -6.533 569 HG3 MET 76 HG3 MET 76 -12.874 19.982 -4.864 570 HE1 MET 76 HE1 MET 76 -14.893 20.919 -4.060 571 HE2 MET 76 HE2 MET 76 -14.683 22.626 -4.522 572 HE3 MET 76 HE3 MET 76 -16.167 21.755 -4.981 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 1.725 -2.586 -0.831 2 H2 GLY 1 H2 GLY 1 0.479 -2.172 -1.906 3 H3 GLY 1 H3 GLY 1 2.088 -2.209 -2.446 4 HA2 GLY 1 HA2 GLY 1 0.979 -0.374 -0.429 5 HA3 GLY 1 HA3 GLY 1 2.659 -0.414 -0.995 6 H THR 2 H THR 2 -0.363 0.992 -1.387 7 HA THR 2 HA THR 2 0.429 1.986 -4.099 8 HB THR 2 HB THR 2 -2.194 2.542 -4.108 9 HG1 THR 2 HG1 THR 2 -3.306 0.727 -3.147 10 HG21 THR 2 HG21 THR 2 -0.528 0.335 -5.088 11 HG22 THR 2 HG22 THR 2 -1.763 1.300 -5.932 12 HG23 THR 2 HG23 THR 2 -2.250 -0.097 -4.943 13 HA PRO 3 HA PRO 3 0.405 6.102 -2.555 14 HB2 PRO 3 HB2 PRO 3 -0.682 7.487 -4.637 15 HB3 PRO 3 HB3 PRO 3 0.959 6.790 -4.683 16 HG2 PRO 3 HG2 PRO 3 -1.609 5.718 -5.836 17 HG3 PRO 3 HG3 PRO 3 0.027 5.768 -6.563 18 HD2 PRO 3 HD2 PRO 3 -1.010 3.520 -5.431 19 HD3 PRO 3 HD3 PRO 3 0.740 3.900 -5.399 20 H SER 4 H SER 4 -0.841 7.639 -1.530 21 HA SER 4 HA SER 4 -3.776 7.523 -1.895 22 HB2 SER 4 HB2 SER 4 -2.372 6.987 0.751 23 HB3 SER 4 HB3 SER 4 -4.104 7.374 0.603 24 HG SER 4 HG SER 4 -3.701 5.098 0.672 25 H ALA 5 H ALA 5 -4.840 9.203 -0.365 26 HA ALA 5 HA ALA 5 -3.880 11.749 -1.079 27 HB1 ALA 5 HB1 ALA 5 -5.442 11.496 1.451 28 HB2 ALA 5 HB2 ALA 5 -5.676 12.583 0.058 29 HB3 ALA 5 HB3 ALA 5 -6.176 10.878 -0.050 30 H ASP 6 H ASP 6 -2.996 9.673 1.588 31 HA ASP 6 HA ASP 6 -1.871 11.697 3.283 32 HB2 ASP 6 HB2 ASP 6 -2.435 9.369 4.002 33 HB3 ASP 6 HB3 ASP 6 -1.064 8.773 3.043 34 H GLN 7 H GLN 7 -0.737 10.040 0.421 35 HA GLN 7 HA GLN 7 2.066 10.644 0.828 36 HB2 GLN 7 HB2 GLN 7 0.411 9.773 -1.551 37 HB3 GLN 7 HB3 GLN 7 2.132 10.174 -1.716 38 HG2 GLN 7 HG2 GLN 7 2.382 8.480 0.292 39 HG3 GLN 7 HG3 GLN 7 0.825 7.875 -0.323 40 HE21 GLN 7 HE21 GLN 7 3.798 6.980 -0.291 41 HE22 GLN 7 HE22 GLN 7 4.046 6.415 -1.980 42 H VAL 8 H VAL 8 -0.685 12.316 -0.571 43 HA VAL 8 HA VAL 8 1.096 14.412 -1.686 44 HB VAL 8 HB VAL 8 -0.999 15.398 -2.586 45 HG11 VAL 8 HG11 VAL 8 -1.469 13.606 -4.226 46 HG12 VAL 8 HG12 VAL 8 0.275 13.839 -3.949 47 HG13 VAL 8 HG13 VAL 8 -0.571 12.460 -3.205 48 HG21 VAL 8 HG21 VAL 8 -3.097 14.137 -2.447 49 HG22 VAL 8 HG22 VAL 8 -2.318 12.943 -1.382 50 HG23 VAL 8 HG23 VAL 8 -2.532 14.622 -0.829 51 H ARG 9 H ARG 9 0.679 13.887 1.251 52 HA ARG 9 HA ARG 9 -0.904 16.123 2.222 53 HB2 ARG 9 HB2 ARG 9 0.932 14.078 3.443 54 HB3 ARG 9 HB3 ARG 9 0.500 15.518 4.385 55 HG2 ARG 9 HG2 ARG 9 -1.521 13.649 3.128 56 HG3 ARG 9 HG3 ARG 9 -0.936 13.516 4.805 57 HD2 ARG 9 HD2 ARG 9 -1.754 15.786 5.268 58 HD3 ARG 9 HD3 ARG 9 -2.336 15.918 3.590 59 HE ARG 9 HE ARG 9 -3.477 13.594 4.765 60 HH11 ARG 9 HH11 ARG 9 -3.578 17.115 5.010 61 HH12 ARG 9 HH12 ARG 9 -5.251 17.150 5.576 62 HH21 ARG 9 HH21 ARG 9 -5.636 13.646 5.498 63 HH22 ARG 9 HH22 ARG 9 -6.411 15.194 5.853 64 H TYR 10 H TYR 10 0.348 17.516 4.024 65 HA TYR 10 HA TYR 10 2.897 18.505 2.862 66 HB2 TYR 10 HB2 TYR 10 2.160 20.800 2.807 67 HB3 TYR 10 HB3 TYR 10 0.995 19.830 1.879 68 HD1 TYR 10 HD1 TYR 10 1.540 21.659 5.042 69 HD2 TYR 10 HD2 TYR 10 -1.281 19.636 2.586 70 HE1 TYR 10 HE1 TYR 10 -0.291 22.557 6.416 71 HE2 TYR 10 HE2 TYR 10 -3.121 20.528 3.950 72 HH TYR 10 HH TYR 10 -3.697 21.935 5.581 73 H ASN 11 H ASN 11 4.069 19.969 4.298 74 HA ASN 11 HA ASN 11 3.293 19.529 7.155 75 HB2 ASN 11 HB2 ASN 11 5.176 18.120 6.767 76 HB3 ASN 11 HB3 ASN 11 6.015 19.372 5.827 77 HD21 ASN 11 HD21 ASN 11 7.575 20.397 6.818 78 HD22 ASN 11 HD22 ASN 11 7.719 20.607 8.599 79 H TYR 12 H TYR 12 3.517 21.209 8.572 80 HA TYR 12 HA TYR 12 3.587 23.856 7.377 81 HB2 TYR 12 HB2 TYR 12 3.394 22.859 10.238 82 HB3 TYR 12 HB3 TYR 12 3.419 24.586 9.820 83 HD1 TYR 12 HD2 TYR 12 1.650 25.239 7.924 84 HD2 TYR 12 HD1 TYR 12 1.336 21.859 10.487 85 HE1 TYR 12 HE2 TYR 12 -0.778 25.185 7.543 86 HE2 TYR 12 HE1 TYR 12 -1.095 21.794 10.113 87 HH TYR 12 HH TYR 12 -2.628 23.006 7.743 88 H THR 13 H THR 13 5.305 25.046 6.953 89 HA THR 13 HA THR 13 7.707 24.696 8.693 90 HB THR 13 HB THR 13 9.201 24.808 6.805 91 HG1 THR 13 HG1 THR 13 8.323 24.884 4.641 92 HG21 THR 13 HG21 THR 13 8.117 22.592 7.424 93 HG22 THR 13 HG22 THR 13 8.800 22.693 5.783 94 HG23 THR 13 HG23 THR 13 7.042 22.830 6.026 95 H GLU 14 H GLU 14 9.313 26.522 8.349 96 HA GLU 14 HA GLU 14 7.751 29.046 8.355 97 HB2 GLU 14 HB2 GLU 14 9.943 28.026 9.877 98 HB3 GLU 14 HB3 GLU 14 10.524 29.448 8.989 99 HG2 GLU 14 HG2 GLU 14 8.550 30.711 9.883 100 HG3 GLU 14 HG3 GLU 14 8.188 29.299 10.903 101 H LEU 15 H LEU 15 8.207 30.806 7.072 102 HA LEU 15 HA LEU 15 9.969 30.186 4.738 103 HB2 LEU 15 HB2 LEU 15 7.433 31.764 5.060 104 HB3 LEU 15 HB3 LEU 15 8.564 32.166 3.747 105 HG LEU 15 HG LEU 15 7.457 29.379 4.119 106 HD11 LEU 15 HD11 LEU 15 6.314 31.450 2.243 107 HD12 LEU 15 HD12 LEU 15 5.656 31.174 3.874 108 HD13 LEU 15 HD13 LEU 15 5.657 29.854 2.679 109 HD21 LEU 15 HD21 LEU 15 8.384 30.743 1.591 110 HD22 LEU 15 HD22 LEU 15 8.189 29.004 1.918 111 HD23 LEU 15 HD23 LEU 15 9.517 29.912 2.684 112 HA PRO 16 HA PRO 16 12.652 33.541 5.668 113 HB2 PRO 16 HB2 PRO 16 13.199 34.533 3.188 114 HB3 PRO 16 HB3 PRO 16 13.838 32.975 3.773 115 HG2 PRO 16 HG2 PRO 16 11.480 33.524 1.981 116 HG3 PRO 16 HG3 PRO 16 12.748 32.267 1.835 117 HD2 PRO 16 HD2 PRO 16 10.270 31.747 2.833 118 HD3 PRO 16 HD3 PRO 16 11.738 30.888 3.394 119 H ASN 17 H ASN 17 9.610 34.068 4.158 120 HA ASN 17 HA ASN 17 9.891 37.009 4.202 121 HB2 ASN 17 HB2 ASN 17 7.827 37.091 3.061 122 HB3 ASN 17 HB3 ASN 17 8.622 35.638 2.413 123 HD21 ASN 17 HD21 ASN 17 7.631 33.737 2.536 124 HD22 ASN 17 HD22 ASN 17 6.096 33.451 3.431 125 H GLY 18 H GLY 18 9.270 34.614 6.426 126 HA2 GLY 18 HA2 GLY 18 8.856 35.284 8.729 127 HA3 GLY 18 HA3 GLY 18 7.803 36.583 8.135 128 H GLU 19 H GLU 19 6.599 34.666 6.133 129 HA GLU 19 HA GLU 19 4.485 33.733 7.923 130 HB2 GLU 19 HB2 GLU 19 4.894 33.530 4.920 131 HB3 GLU 19 HB3 GLU 19 3.466 32.895 5.762 132 HG2 GLU 19 HG2 GLU 19 4.339 35.784 5.916 133 HG3 GLU 19 HG3 GLU 19 3.201 35.160 4.697 134 H TYR 20 H TYR 20 3.538 31.434 7.005 135 HA TYR 20 HA TYR 20 5.728 29.536 7.690 136 HB2 TYR 20 HB2 TYR 20 2.796 29.635 8.156 137 HB3 TYR 20 HB3 TYR 20 3.456 28.031 7.773 138 HD1 TYR 20 HD2 TYR 20 3.470 30.797 10.197 139 HD2 TYR 20 HD1 TYR 20 4.943 26.906 9.309 140 HE1 TYR 20 HE2 TYR 20 4.210 30.551 12.530 141 HE2 TYR 20 HE1 TYR 20 5.687 26.648 11.640 142 HH TYR 20 HH TYR 20 5.189 29.257 14.032 143 H CYS 21 H CYS 21 2.723 29.327 5.738 144 HA CYS 21 HA CYS 21 4.060 28.833 3.267 145 HB2 CYS 21 HB2 CYS 21 3.904 26.473 3.000 146 HB3 CYS 21 HB3 CYS 21 4.690 26.731 4.573 147 H TYR 22 H TYR 22 2.635 28.572 1.538 148 HA TYR 22 HA TYR 22 -0.121 29.345 2.200 149 HB2 TYR 22 HB2 TYR 22 1.499 29.126 -0.339 150 HB3 TYR 22 HB3 TYR 22 -0.270 29.278 -0.414 151 HD1 TYR 22 HD2 TYR 22 -0.893 31.163 1.699 152 HD2 TYR 22 HD1 TYR 22 2.394 31.154 -1.003 153 HE1 TYR 22 HE2 TYR 22 -0.699 33.603 1.935 154 HE2 TYR 22 HE1 TYR 22 2.599 33.594 -0.773 155 HH TYR 22 HH TYR 22 0.258 35.467 1.139 156 H THR 23 H THR 23 -1.767 28.003 2.418 157 HA THR 23 HA THR 23 -1.583 25.223 2.332 158 HB THR 23 HB THR 23 -4.208 25.517 1.722 159 HG1 THR 23 HG1 THR 23 -4.811 27.549 1.788 160 HG21 THR 23 HG21 THR 23 -3.959 24.609 3.783 161 HG22 THR 23 HG22 THR 23 -4.266 26.272 4.338 162 HG23 THR 23 HG23 THR 23 -2.595 25.673 4.201 163 HA PRO 24 HA PRO 24 -1.733 23.858 -1.843 164 HB2 PRO 24 HB2 PRO 24 -3.429 21.725 -1.707 165 HB3 PRO 24 HB3 PRO 24 -1.778 21.699 -1.033 166 HG2 PRO 24 HG2 PRO 24 -4.409 22.146 0.364 167 HG3 PRO 24 HG3 PRO 24 -3.009 21.153 0.873 168 HD2 PRO 24 HD2 PRO 24 -3.492 23.638 1.871 169 HD3 PRO 24 HD3 PRO 24 -1.836 22.985 1.661 170 H ARG 25 H ARG 25 -2.924 23.848 -3.768 171 HA ARG 25 HA ARG 25 -4.609 24.484 -5.191 172 HB2 ARG 25 HB2 ARG 25 -6.546 24.217 -2.873 173 HB3 ARG 25 HB3 ARG 25 -6.889 24.067 -4.609 174 HG2 ARG 25 HG2 ARG 25 -5.562 22.010 -4.699 175 HG3 ARG 25 HG3 ARG 25 -5.209 22.162 -2.959 176 HD2 ARG 25 HD2 ARG 25 -7.988 21.926 -4.148 177 HD3 ARG 25 HD3 ARG 25 -7.054 20.568 -3.477 178 HE ARG 25 HE ARG 25 -7.386 22.827 -1.649 179 HH11 ARG 25 HH11 ARG 25 -8.722 19.795 -2.867 180 HH12 ARG 25 HH12 ARG 25 -9.680 19.492 -1.415 181 HH21 ARG 25 HH21 ARG 25 -8.627 22.430 0.223 182 HH22 ARG 25 HH22 ARG 25 -9.628 20.979 0.327 183 H ARG 26 H ARG 26 -3.216 26.367 -3.261 184 HA ARG 26 HA ARG 26 -5.234 28.573 -3.367 185 HB2 ARG 26 HB2 ARG 26 -3.753 27.671 -1.205 186 HB3 ARG 26 HB3 ARG 26 -2.808 29.061 -1.775 187 HG2 ARG 26 HG2 ARG 26 -5.382 30.033 -1.816 188 HG3 ARG 26 HG3 ARG 26 -5.389 28.965 -0.392 189 HD2 ARG 26 HD2 ARG 26 -3.013 30.711 -0.681 190 HD3 ARG 26 HD3 ARG 26 -4.551 31.548 -0.368 191 HE ARG 26 HE ARG 26 -4.157 29.302 1.414 192 HH11 ARG 26 HH11 ARG 26 -3.264 32.661 0.792 193 HH12 ARG 26 HH12 ARG 26 -2.920 33.011 2.490 194 HH21 ARG 26 HH21 ARG 26 -3.712 29.759 3.602 195 HH22 ARG 26 HH22 ARG 26 -3.172 31.375 4.074 196 H ARG 27 H ARG 27 -4.694 30.553 -4.248 197 HA ARG 27 HA ARG 27 -2.837 30.490 -6.412 198 HB2 ARG 27 HB2 ARG 27 -4.754 31.968 -6.460 199 HB3 ARG 27 HB3 ARG 27 -4.198 32.810 -5.000 200 HG2 ARG 27 HG2 ARG 27 -2.249 33.655 -6.221 201 HG3 ARG 27 HG3 ARG 27 -2.800 32.805 -7.687 202 HD2 ARG 27 HD2 ARG 27 -3.516 35.042 -7.944 203 HD3 ARG 27 HD3 ARG 27 -4.967 34.127 -7.464 204 HE ARG 27 HE ARG 27 -5.106 35.407 -5.558 205 HH11 ARG 27 HH11 ARG 27 -1.832 35.583 -6.871 206 HH12 ARG 27 HH12 ARG 27 -1.301 36.802 -5.707 207 HH21 ARG 27 HH21 ARG 27 -4.412 36.980 -4.059 208 HH22 ARG 27 HH22 ARG 27 -2.755 37.588 -4.121 209 H CYS 28 H CYS 28 -0.712 30.702 -6.466 210 HA CYS 28 HA CYS 28 0.583 32.263 -4.271 211 HB2 CYS 28 HB2 CYS 28 2.515 30.584 -4.512 212 HB3 CYS 28 HB3 CYS 28 1.054 30.020 -3.672 213 H THR 29 H THR 29 2.932 32.783 -4.852 214 HA THR 29 HA THR 29 3.001 33.543 -7.747 215 HB THR 29 HB THR 29 2.797 35.564 -6.509 216 HG1 THR 29 HG1 THR 29 4.893 36.530 -6.878 217 HG21 THR 29 HG21 THR 29 4.647 34.200 -4.594 218 HG22 THR 29 HG22 THR 29 3.198 35.181 -4.280 219 HG23 THR 29 HG23 THR 29 4.730 35.973 -4.720 220 H SER 30 H SER 30 4.685 32.133 -5.025 221 HA SER 30 HA SER 30 6.900 31.413 -6.891 222 HB2 SER 30 HB2 SER 30 7.378 32.056 -3.965 223 HB3 SER 30 HB3 SER 30 8.577 31.872 -5.268 224 HG SER 30 HG SER 30 8.176 34.085 -4.731 225 H ALA 31 H ALA 31 7.765 29.380 -6.662 226 HA ALA 31 HA ALA 31 6.039 27.394 -5.527 227 HB1 ALA 31 HB1 ALA 31 8.199 27.441 -7.292 228 HB2 ALA 31 HB2 ALA 31 8.767 26.464 -5.916 229 HB3 ALA 31 HB3 ALA 31 7.271 26.014 -6.772 230 H ASP 32 H ASP 32 9.023 28.953 -4.397 231 HA ASP 32 HA ASP 32 9.597 27.249 -2.223 232 HB2 ASP 32 HB2 ASP 32 10.822 29.386 -3.215 233 HB3 ASP 32 HB3 ASP 32 9.943 30.217 -1.914 234 H GLN 33 H GLN 33 7.078 29.628 -2.643 235 HA GLN 33 HA GLN 33 6.485 29.874 0.197 236 HB2 GLN 33 HB2 GLN 33 4.974 30.635 -2.322 237 HB3 GLN 33 HB3 GLN 33 4.339 30.925 -0.690 238 HG2 GLN 33 HG2 GLN 33 5.925 32.536 -0.207 239 HG3 GLN 33 HG3 GLN 33 7.067 31.926 -1.428 240 HE21 GLN 33 HE21 GLN 33 7.395 33.824 -2.482 241 HE22 GLN 33 HE22 GLN 33 6.105 34.653 -3.422 242 H CYS 34 H CYS 34 5.177 28.020 -2.549 243 HA CYS 34 HA CYS 34 2.906 26.932 -1.335 244 HB2 CYS 34 HB2 CYS 34 3.351 26.547 -3.672 245 HB3 CYS 34 HB3 CYS 34 4.863 25.689 -3.301 246 H CYS 35 H CYS 35 2.542 25.672 0.353 247 HA CYS 35 HA CYS 35 4.519 24.800 2.122 248 HB2 CYS 35 HB2 CYS 35 1.773 24.751 2.068 249 HB3 CYS 35 HB3 CYS 35 2.159 23.020 1.972 250 H ARG 36 H ARG 36 5.949 23.198 2.210 251 HA ARG 36 HA ARG 36 6.256 21.448 -0.073 252 HB2 ARG 36 HB2 ARG 36 7.677 21.924 2.515 253 HB3 ARG 36 HB3 ARG 36 7.944 20.363 1.714 254 HG2 ARG 36 HG2 ARG 36 8.973 21.326 -0.121 255 HG3 ARG 36 HG3 ARG 36 8.209 22.911 0.151 256 HD2 ARG 36 HD2 ARG 36 9.590 22.879 2.375 257 HD3 ARG 36 HD3 ARG 36 10.570 21.659 1.527 258 HE ARG 36 HE ARG 36 10.359 23.750 -0.277 259 HH11 ARG 36 HH11 ARG 36 11.462 23.371 3.056 260 HH12 ARG 36 HH12 ARG 36 12.657 24.666 2.937 261 HH21 ARG 36 HH21 ARG 36 11.904 25.422 -0.422 262 HH22 ARG 36 HH22 ARG 36 12.906 25.823 0.976 263 HA PRO 37 HA PRO 37 4.020 17.856 1.108 264 HB2 PRO 37 HB2 PRO 37 5.707 15.845 0.369 265 HB3 PRO 37 HB3 PRO 37 4.821 16.851 -0.806 266 HG2 PRO 37 HG2 PRO 37 7.677 17.063 0.124 267 HG3 PRO 37 HG3 PRO 37 7.009 17.209 -1.530 268 HD2 PRO 37 HD2 PRO 37 7.676 19.371 -0.021 269 HD3 PRO 37 HD3 PRO 37 6.330 19.394 -1.202 270 H TYR 38 H TYR 38 3.720 16.390 2.748 271 HA TYR 38 HA TYR 38 5.095 16.753 5.156 272 HB2 TYR 38 HB2 TYR 38 2.847 15.522 4.600 273 HB3 TYR 38 HB3 TYR 38 3.874 14.076 4.487 274 HD1 TYR 38 HD2 TYR 38 5.374 13.561 6.526 275 HD2 TYR 38 HD1 TYR 38 2.056 16.220 6.677 276 HE1 TYR 38 HE2 TYR 38 5.279 13.295 8.970 277 HE2 TYR 38 HE1 TYR 38 1.953 15.962 9.121 278 HH TYR 38 HH TYR 38 4.090 13.689 10.824 279 H ASP 39 H ASP 39 5.829 14.621 2.458 280 HA ASP 39 HA ASP 39 8.343 13.865 3.879 281 HB2 ASP 39 HB2 ASP 39 6.418 12.045 3.674 282 HB3 ASP 39 HB3 ASP 39 7.046 11.894 2.018 283 H THR 40 H THR 40 9.572 15.341 2.756 284 HA THR 40 HA THR 40 9.415 15.848 -0.019 285 HB THR 40 HB THR 40 11.905 16.483 0.242 286 HG1 THR 40 HG1 THR 40 12.548 16.660 2.483 287 HG21 THR 40 HG21 THR 40 9.787 17.955 0.530 288 HG22 THR 40 HG22 THR 40 11.333 18.551 1.184 289 HG23 THR 40 HG23 THR 40 10.123 17.827 2.274 290 H THR 41 H THR 41 10.797 13.171 1.736 291 HA THR 41 HA THR 41 12.501 12.270 -0.442 292 HB THR 41 HB THR 41 12.950 11.678 1.927 293 HG1 THR 41 HG1 THR 41 12.587 9.712 -0.088 294 HG21 THR 41 HG21 THR 41 11.289 10.949 3.232 295 HG22 THR 41 HG22 THR 41 11.233 9.450 2.275 296 HG23 THR 41 HG23 THR 41 10.200 10.831 1.830 297 H ALA 42 H ALA 42 9.147 12.141 0.210 298 HA ALA 42 HA ALA 42 8.851 10.095 -1.948 299 HB1 ALA 42 HB1 ALA 42 7.392 10.246 0.692 300 HB2 ALA 42 HB2 ALA 42 6.730 9.379 -0.714 301 HB3 ALA 42 HB3 ALA 42 8.288 8.878 -0.011 302 H ALA 43 H ALA 43 8.805 13.106 -1.818 303 HA ALA 43 HA ALA 43 6.667 13.516 -3.645 304 HB1 ALA 43 HB1 ALA 43 5.302 15.084 -2.127 305 HB2 ALA 43 HB2 ALA 43 5.060 13.330 -1.952 306 HB3 ALA 43 HB3 ALA 43 6.060 14.211 -0.774 307 H PHE 44 H PHE 44 6.301 15.873 -4.116 308 HA PHE 44 HA PHE 44 8.606 17.537 -3.223 309 HB2 PHE 44 HB2 PHE 44 8.870 18.326 -5.607 310 HB3 PHE 44 HB3 PHE 44 9.354 16.640 -5.326 311 HD1 PHE 44 HD2 PHE 44 7.864 14.801 -6.072 312 HD2 PHE 44 HD1 PHE 44 7.110 18.864 -7.086 313 HE1 PHE 44 HE2 PHE 44 6.358 14.068 -7.874 314 HE2 PHE 44 HE1 PHE 44 5.601 18.139 -8.889 315 HZ PHE 44 HZ PHE 44 5.224 15.738 -9.286 316 H HIS 45 H HIS 45 8.324 19.857 -4.172 317 HA HIS 45 HA HIS 45 5.426 20.564 -3.924 318 HB2 HIS 45 HB2 HIS 45 5.984 22.485 -2.634 319 HB3 HIS 45 HB3 HIS 45 6.908 21.144 -1.926 320 HD2 HIS 45 HD2 HIS 45 7.515 24.500 -3.803 321 HE1 HIS 45 HE1 HIS 45 11.284 22.881 -2.721 322 HE2 HIS 45 HE2 HIS 45 10.085 24.915 -3.670 323 H GLY 46 H GLY 46 4.973 22.838 -4.774 324 HA2 GLY 46 HA2 GLY 46 6.623 24.146 -6.630 325 HA3 GLY 46 HA3 GLY 46 5.790 22.875 -7.546 326 H CYS 47 H CYS 47 5.615 25.814 -7.756 327 HA CYS 47 HA CYS 47 2.721 26.125 -7.057 328 HB2 CYS 47 HB2 CYS 47 4.122 27.768 -5.918 329 HB3 CYS 47 HB3 CYS 47 4.882 28.230 -7.456 330 H GLY 48 H GLY 48 1.344 26.049 -8.688 331 HA2 GLY 48 HA2 GLY 48 1.450 27.530 -11.036 332 HA3 GLY 48 HA3 GLY 48 2.318 26.033 -11.430 333 H ARG 49 H ARG 49 0.725 25.512 -12.987 334 HA ARG 49 HA ARG 49 -1.847 24.612 -11.748 335 HB2 ARG 49 HB2 ARG 49 -1.346 25.458 -14.626 336 HB3 ARG 49 HB3 ARG 49 -2.900 24.940 -13.940 337 HG2 ARG 49 HG2 ARG 49 -3.237 26.918 -12.845 338 HG3 ARG 49 HG3 ARG 49 -1.495 27.239 -12.656 339 HD2 ARG 49 HD2 ARG 49 -3.084 27.439 -15.233 340 HD3 ARG 49 HD3 ARG 49 -2.534 28.806 -14.233 341 HE ARG 49 HE ARG 49 -0.983 27.300 -16.161 342 HH11 ARG 49 HH11 ARG 49 -0.835 29.109 -13.133 343 HH12 ARG 49 HH12 ARG 49 0.862 29.554 -13.340 344 HH21 ARG 49 HH21 ARG 49 1.208 27.879 -16.422 345 HH22 ARG 49 HH22 ARG 49 2.015 28.860 -15.195 346 H ILE 50 H ILE 50 -2.002 22.491 -11.570 347 HA ILE 50 HA ILE 50 -0.491 20.824 -13.537 348 HB ILE 50 HB ILE 50 -0.773 18.989 -11.817 349 HG12 ILE 50 HG12 ILE 50 -1.390 21.248 -9.890 350 HG13 ILE 50 HG13 ILE 50 -2.675 20.281 -10.649 351 HG21 ILE 50 HG21 ILE 50 1.361 19.972 -11.985 352 HG22 ILE 50 HG22 ILE 50 0.815 21.491 -11.234 353 HG23 ILE 50 HG23 ILE 50 0.970 20.014 -10.250 354 HD11 ILE 50 HD11 ILE 50 -1.915 18.291 -9.593 355 HD12 ILE 50 HD12 ILE 50 -0.417 19.082 -9.041 356 HD13 ILE 50 HD13 ILE 50 -1.985 19.561 -8.347 357 H TRP 51 H TRP 51 -3.625 21.566 -12.192 358 HA TRP 51 HA TRP 51 -4.839 19.233 -13.563 359 HB2 TRP 51 HB2 TRP 51 -5.981 21.351 -11.703 360 HB3 TRP 51 HB3 TRP 51 -6.958 20.084 -12.477 361 HD1 TRP 51 HD1 TRP 51 -4.819 20.732 -9.482 362 HE1 TRP 51 HE1 TRP 51 -4.541 18.572 -8.066 363 HE3 TRP 51 HE3 TRP 51 -6.700 17.380 -12.854 364 HZ2 TRP 51 HZ2 TRP 51 -5.079 15.816 -8.405 365 HZ3 TRP 51 HZ3 TRP 51 -6.783 15.002 -12.229 366 HH2 TRP 51 HH2 TRP 51 -5.987 14.236 -10.052 367 HA PRO 52 HA PRO 52 -6.216 21.462 -17.094 368 HB2 PRO 52 HB2 PRO 52 -8.628 20.279 -17.565 369 HB3 PRO 52 HB3 PRO 52 -7.071 19.465 -17.867 370 HG2 PRO 52 HG2 PRO 52 -8.940 19.210 -15.519 371 HG3 PRO 52 HG3 PRO 52 -8.059 17.933 -16.413 372 HD2 PRO 52 HD2 PRO 52 -7.204 18.910 -14.020 373 HD3 PRO 52 HD3 PRO 52 -6.078 18.335 -15.289 374 H LYS 53 H LYS 53 -8.373 21.234 -14.301 375 HA LYS 53 HA LYS 53 -10.272 23.191 -15.198 376 HB2 LYS 53 HB2 LYS 53 -9.491 22.306 -12.395 377 HB3 LYS 53 HB3 LYS 53 -10.894 23.325 -12.779 378 HG2 LYS 53 HG2 LYS 53 -11.249 21.172 -14.454 379 HG3 LYS 53 HG3 LYS 53 -10.545 20.426 -12.999 380 HD2 LYS 53 HD2 LYS 53 -12.920 20.420 -12.723 381 HD3 LYS 53 HD3 LYS 53 -12.266 21.676 -11.645 382 HE2 LYS 53 HE2 LYS 53 -13.936 22.900 -12.580 383 HE3 LYS 53 HE3 LYS 53 -12.700 23.173 -13.830 384 HZ1 LYS 53 HZ1 LYS 53 -14.860 22.527 -14.759 385 HZ2 LYS 53 HZ2 LYS 53 -14.792 21.055 -13.931 386 HZ3 LYS 53 HZ3 LYS 53 -13.656 21.399 -15.137 387 H ASP 54 H ASP 54 -7.443 23.407 -13.009 388 HA ASP 54 HA ASP 54 -7.701 26.232 -12.586 389 HB2 ASP 54 HB2 ASP 54 -5.334 24.344 -12.327 390 HB3 ASP 54 HB3 ASP 54 -5.288 26.050 -11.833 391 H LYS 55 H LYS 55 -6.255 24.289 -15.113 392 HA LYS 55 HA LYS 55 -4.519 26.284 -16.202 393 HB2 LYS 55 HB2 LYS 55 -4.310 23.942 -16.823 394 HB3 LYS 55 HB3 LYS 55 -5.945 23.941 -17.514 395 HG2 LYS 55 HG2 LYS 55 -4.576 26.018 -18.820 396 HG3 LYS 55 HG3 LYS 55 -3.427 24.660 -18.729 397 HD2 LYS 55 HD2 LYS 55 -4.689 23.322 -20.079 398 HD3 LYS 55 HD3 LYS 55 -6.228 24.020 -19.515 399 HE2 LYS 55 HE2 LYS 55 -6.284 25.490 -21.203 400 HE3 LYS 55 HE3 LYS 55 -4.591 25.971 -20.938 401 HZ1 LYS 55 HZ1 LYS 55 -5.416 24.707 -23.117 402 HZ2 LYS 55 HZ2 LYS 55 -5.029 23.361 -22.170 403 HZ3 LYS 55 HZ3 LYS 55 -3.852 24.531 -22.496 404 H ARG 56 H ARG 56 -7.965 25.599 -16.605 405 HA ARG 56 HA ARG 56 -8.371 27.277 -18.889 406 HB2 ARG 56 HB2 ARG 56 -10.411 26.727 -16.714 407 HB3 ARG 56 HB3 ARG 56 -10.706 27.068 -18.430 408 HG2 ARG 56 HG2 ARG 56 -9.207 24.853 -18.681 409 HG3 ARG 56 HG3 ARG 56 -9.927 24.542 -17.081 410 HD2 ARG 56 HD2 ARG 56 -12.173 24.979 -18.069 411 HD3 ARG 56 HD3 ARG 56 -11.400 25.133 -19.666 412 HE ARG 56 HE ARG 56 -11.941 22.674 -18.177 413 HH11 ARG 56 HH11 ARG 56 -10.019 24.235 -20.694 414 HH12 ARG 56 HH12 ARG 56 -9.651 22.720 -21.523 415 HH21 ARG 56 HH21 ARG 56 -11.463 20.721 -19.253 416 HH22 ARG 56 HH22 ARG 56 -10.466 20.738 -20.710 417 H GLU 57 H GLU 57 -8.110 27.912 -15.447 418 HA GLU 57 HA GLU 57 -9.104 30.672 -15.786 419 HB2 GLU 57 HB2 GLU 57 -8.150 29.043 -13.416 420 HB3 GLU 57 HB3 GLU 57 -8.446 30.788 -13.295 421 HG2 GLU 57 HG2 GLU 57 -10.767 30.479 -13.917 422 HG3 GLU 57 HG3 GLU 57 -10.493 28.741 -14.178 423 H LYS 58 H LYS 58 -6.131 28.913 -15.808 424 HA LYS 58 HA LYS 58 -3.949 29.585 -16.038 425 HB2 LYS 58 HB2 LYS 58 -5.219 32.227 -16.846 426 HB3 LYS 58 HB3 LYS 58 -3.520 31.787 -17.102 427 HG2 LYS 58 HG2 LYS 58 -5.488 29.865 -18.174 428 HG3 LYS 58 HG3 LYS 58 -5.490 31.473 -18.941 429 HD2 LYS 58 HD2 LYS 58 -3.964 30.059 -20.148 430 HD3 LYS 58 HD3 LYS 58 -3.012 31.257 -19.236 431 HE2 LYS 58 HE2 LYS 58 -3.594 28.637 -17.924 432 HE3 LYS 58 HE3 LYS 58 -2.409 28.656 -19.252 433 HZ1 LYS 58 HZ1 LYS 58 -1.770 30.807 -17.644 434 HZ2 LYS 58 HZ2 LYS 58 -0.931 29.344 -17.765 435 HZ3 LYS 58 HZ3 LYS 58 -2.109 29.547 -16.566 436 H VAL 59 H VAL 59 -4.530 29.446 -13.500 437 HA VAL 59 HA VAL 59 -3.213 31.869 -12.362 438 HB VAL 59 HB VAL 59 -5.536 32.153 -11.792 439 HG11 VAL 59 HG11 VAL 59 -5.540 29.297 -11.713 440 HG12 VAL 59 HG12 VAL 59 -6.097 29.906 -10.134 441 HG13 VAL 59 HG13 VAL 59 -6.919 30.419 -11.627 442 HG21 VAL 59 HG21 VAL 59 -4.706 31.009 -9.205 443 HG22 VAL 59 HG22 VAL 59 -3.500 32.076 -9.965 444 HG23 VAL 59 HG23 VAL 59 -5.141 32.682 -9.638 445 H ASP 60 H ASP 60 -1.340 31.252 -11.546 446 HA ASP 60 HA ASP 60 -0.611 28.569 -11.029 447 HB2 ASP 60 HB2 ASP 60 1.219 29.715 -9.567 448 HB3 ASP 60 HB3 ASP 60 1.182 30.047 -11.313 449 H ARG 61 H ARG 61 -0.888 27.199 -9.391 450 HA ARG 61 HA ARG 61 -1.751 28.319 -6.769 451 HB2 ARG 61 HB2 ARG 61 -3.068 25.971 -8.184 452 HB3 ARG 61 HB3 ARG 61 -3.456 26.555 -6.553 453 HG2 ARG 61 HG2 ARG 61 -3.615 28.687 -8.523 454 HG3 ARG 61 HG3 ARG 61 -4.666 27.312 -8.943 455 HD2 ARG 61 HD2 ARG 61 -4.665 28.240 -6.107 456 HD3 ARG 61 HD3 ARG 61 -5.447 29.287 -7.314 457 HE ARG 61 HE ARG 61 -6.244 26.477 -7.460 458 HH11 ARG 61 HH11 ARG 61 -6.838 29.639 -6.008 459 HH12 ARG 61 HH12 ARG 61 -8.525 29.281 -5.625 460 HH21 ARG 61 HH21 ARG 61 -8.422 26.021 -6.962 461 HH22 ARG 61 HH22 ARG 61 -9.417 27.242 -6.162 462 H CYS 62 H CYS 62 -1.239 27.069 -4.951 463 HA CYS 62 HA CYS 62 1.194 25.570 -5.208 464 HB2 CYS 62 HB2 CYS 62 0.770 26.772 -3.172 465 HB3 CYS 62 HB3 CYS 62 -0.769 25.920 -2.916 466 H TYR 63 H TYR 63 1.572 23.490 -5.578 467 HA TYR 63 HA TYR 63 -0.677 21.574 -5.149 468 HB2 TYR 63 HB2 TYR 63 -0.192 20.457 -7.247 469 HB3 TYR 63 HB3 TYR 63 -0.493 22.179 -7.570 470 HD1 TYR 63 HD2 TYR 63 2.123 19.576 -7.349 471 HD2 TYR 63 HD1 TYR 63 1.213 23.572 -8.487 472 HE1 TYR 63 HE2 TYR 63 4.278 19.726 -8.525 473 HE2 TYR 63 HE1 TYR 63 3.364 23.734 -9.666 474 HH TYR 63 HH TYR 63 5.641 20.978 -9.735 475 H ILE 64 H ILE 64 -0.045 19.366 -4.836 476 HA ILE 64 HA ILE 64 2.839 18.919 -4.316 477 HB ILE 64 HB ILE 64 0.690 18.512 -2.207 478 HG12 ILE 64 HG12 ILE 64 3.167 20.285 -2.237 479 HG13 ILE 64 HG13 ILE 64 1.493 20.847 -2.446 480 HG21 ILE 64 HG21 ILE 64 2.250 16.652 -2.190 481 HG22 ILE 64 HG22 ILE 64 3.632 17.772 -2.202 482 HG23 ILE 64 HG23 ILE 64 2.555 17.704 -0.786 483 HD11 ILE 64 HD11 ILE 64 1.268 19.519 -0.102 484 HD12 ILE 64 HD12 ILE 64 2.957 20.072 -0.004 485 HD13 ILE 64 HD13 ILE 64 1.645 21.251 -0.241 486 H CYS 65 H CYS 65 3.385 17.090 -5.269 487 HA CYS 65 HA CYS 65 1.322 14.925 -5.383 488 HB2 CYS 65 HB2 CYS 65 3.507 15.553 -7.406 489 HB3 CYS 65 HB3 CYS 65 2.351 14.208 -7.511 490 H ASN 66 H ASN 66 2.317 12.712 -5.718 491 HA ASN 66 HA ASN 66 4.332 12.357 -3.619 492 HB2 ASN 66 HB2 ASN 66 3.927 9.953 -3.953 493 HB3 ASN 66 HB3 ASN 66 2.394 10.837 -3.786 494 HD21 ASN 66 HD21 ASN 66 2.482 8.314 -4.860 495 HD22 ASN 66 HD22 ASN 66 2.102 8.416 -6.615 496 H ASN 67 H ASN 67 6.138 10.749 -3.990 497 HA ASN 67 HA ASN 67 7.915 11.796 -5.932 498 HB2 ASN 67 HB2 ASN 67 9.394 9.958 -5.334 499 HB3 ASN 67 HB3 ASN 67 8.588 10.562 -3.868 500 HD21 ASN 67 HD21 ASN 67 6.923 9.344 -2.915 501 HD22 ASN 67 HD22 ASN 67 6.791 7.580 -3.232 502 H GLU 68 H GLU 68 5.566 9.190 -6.088 503 HA GLU 68 HA GLU 68 6.637 8.090 -8.569 504 HB2 GLU 68 HB2 GLU 68 3.861 7.695 -7.409 505 HB3 GLU 68 HB3 GLU 68 4.721 6.638 -8.543 506 HG2 GLU 68 HG2 GLU 68 6.483 6.496 -6.598 507 HG3 GLU 68 HG3 GLU 68 5.097 6.991 -5.598 508 H LYS 69 H LYS 69 4.898 10.863 -7.781 509 HA LYS 69 HA LYS 69 3.700 12.380 -9.021 510 HB2 LYS 69 HB2 LYS 69 5.455 11.058 -11.081 511 HB3 LYS 69 HB3 LYS 69 4.243 12.248 -11.598 512 HG2 LYS 69 HG2 LYS 69 5.264 13.844 -9.918 513 HG3 LYS 69 HG3 LYS 69 6.587 12.664 -9.736 514 HD2 LYS 69 HD2 LYS 69 6.663 12.809 -12.365 515 HD3 LYS 69 HD3 LYS 69 5.843 14.366 -12.097 516 HE2 LYS 69 HE2 LYS 69 8.128 14.904 -12.139 517 HE3 LYS 69 HE3 LYS 69 7.713 14.856 -10.409 518 HZ1 LYS 69 HZ1 LYS 69 9.371 13.418 -10.178 519 HZ2 LYS 69 HZ2 LYS 69 9.602 13.288 -11.848 520 HZ3 LYS 69 HZ3 LYS 69 8.481 12.287 -11.069 521 H THR 70 H THR 70 2.557 9.682 -8.510 522 HA THR 70 HA THR 70 0.797 9.353 -10.881 523 HB THR 70 HB THR 70 0.043 7.284 -9.859 524 HG1 THR 70 HG1 THR 70 0.006 7.648 -7.687 525 HG21 THR 70 HG21 THR 70 2.726 7.827 -10.616 526 HG22 THR 70 HG22 THR 70 1.858 6.274 -10.679 527 HG23 THR 70 HG23 THR 70 2.790 6.716 -9.228 528 H LEU 71 H LEU 71 0.768 10.307 -7.483 529 HA LEU 71 HA LEU 71 -2.132 10.977 -7.804 530 HB2 LEU 71 HB2 LEU 71 -1.365 9.196 -6.074 531 HB3 LEU 71 HB3 LEU 71 -0.773 10.592 -5.144 532 HG LEU 71 HG LEU 71 -3.294 11.411 -5.573 533 HD11 LEU 71 HD11 LEU 71 -4.288 9.687 -6.719 534 HD12 LEU 71 HD12 LEU 71 -4.636 9.205 -5.041 535 HD13 LEU 71 HD13 LEU 71 -3.296 8.439 -5.928 536 HD21 LEU 71 HD21 LEU 71 -2.938 11.429 -3.363 537 HD22 LEU 71 HD22 LEU 71 -1.855 10.020 -3.441 538 HD23 LEU 71 HD23 LEU 71 -3.617 9.783 -3.357 539 H CYS 72 H CYS 72 -2.874 12.963 -7.085 540 HA CYS 72 HA CYS 72 -0.877 14.852 -5.986 541 HB2 CYS 72 HB2 CYS 72 -2.424 15.348 -8.560 542 HB3 CYS 72 HB3 CYS 72 -1.480 16.575 -7.686 543 H THR 73 H THR 73 -1.873 16.918 -5.301 544 HA THR 73 HA THR 73 -4.071 16.486 -3.616 545 HB THR 73 HB THR 73 -4.315 19.134 -3.934 546 HG1 THR 73 HG1 THR 73 -2.233 19.973 -4.585 547 HG21 THR 73 HG21 THR 73 -3.056 17.461 -2.151 548 HG22 THR 73 HG22 THR 73 -3.186 19.227 -1.984 549 HG23 THR 73 HG23 THR 73 -1.720 18.505 -2.691 550 H SER 74 H SER 74 -6.257 17.078 -3.652 551 HA SER 74 HA SER 74 -7.619 16.491 -6.071 552 HB2 SER 74 HB2 SER 74 -8.696 16.197 -3.911 553 HB3 SER 74 HB3 SER 74 -8.575 17.940 -3.569 554 HG SER 74 HG SER 74 -10.671 17.322 -4.327 555 H VAL 75 H VAL 75 -8.906 17.780 -7.454 556 HA VAL 75 HA VAL 75 -7.618 20.254 -8.200 557 HB VAL 75 HB VAL 75 -8.655 18.811 -9.880 558 HG11 VAL 75 HG11 VAL 75 -10.763 18.651 -8.040 559 HG12 VAL 75 HG12 VAL 75 -11.429 19.528 -9.438 560 HG13 VAL 75 HG13 VAL 75 -10.688 17.924 -9.662 561 HG21 VAL 75 HG21 VAL 75 -10.033 21.503 -9.633 562 HG22 VAL 75 HG22 VAL 75 -8.447 21.195 -10.376 563 HG23 VAL 75 HG23 VAL 75 -9.920 20.527 -11.118 564 H MET 76 H MET 76 -10.334 19.408 -6.177 565 HA MET 76 HA MET 76 -10.923 22.327 -5.878 566 HB2 MET 76 HB2 MET 76 -12.801 19.960 -5.525 567 HB3 MET 76 HB3 MET 76 -13.218 21.655 -5.202 568 HG2 MET 76 HG2 MET 76 -12.727 22.165 -7.597 569 HG3 MET 76 HG3 MET 76 -12.502 20.420 -7.869 570 HE1 MET 76 HE1 MET 76 -15.907 23.073 -7.246 571 HE2 MET 76 HE2 MET 76 -16.133 22.020 -5.829 572 HE3 MET 76 HE3 MET 76 -14.587 22.868 -6.070 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 2.189 0.371 2.247 2 H2 GLY 1 H2 GLY 1 1.603 1.763 1.472 3 H3 GLY 1 H3 GLY 1 0.851 0.265 1.207 4 HA2 GLY 1 HA2 GLY 1 3.660 0.796 0.534 5 HA3 GLY 1 HA3 GLY 1 2.649 -0.575 0.035 6 H THR 2 H THR 2 0.281 0.906 -0.568 7 HA THR 2 HA THR 2 1.136 1.937 -3.195 8 HB THR 2 HB THR 2 -1.529 2.210 -3.313 9 HG1 THR 2 HG1 THR 2 -2.475 0.484 -2.055 10 HG21 THR 2 HG21 THR 2 -1.503 0.335 -4.618 11 HG22 THR 2 HG22 THR 2 -0.619 -0.629 -3.413 12 HG23 THR 2 HG23 THR 2 0.253 0.544 -4.428 13 HA PRO 3 HA PRO 3 0.664 6.230 -2.373 14 HB2 PRO 3 HB2 PRO 3 -0.514 7.126 -4.665 15 HB3 PRO 3 HB3 PRO 3 1.190 6.603 -4.585 16 HG2 PRO 3 HG2 PRO 3 -1.234 5.094 -5.547 17 HG3 PRO 3 HG3 PRO 3 0.404 5.188 -6.267 18 HD2 PRO 3 HD2 PRO 3 -0.425 3.070 -4.773 19 HD3 PRO 3 HD3 PRO 3 1.279 3.626 -4.801 20 H SER 4 H SER 4 -0.710 7.571 -1.352 21 HA SER 4 HA SER 4 -3.606 7.364 -1.894 22 HB2 SER 4 HB2 SER 4 -2.915 5.689 -0.037 23 HB3 SER 4 HB3 SER 4 -2.655 7.131 0.973 24 HG SER 4 HG SER 4 -4.788 6.261 1.191 25 H ALA 5 H ALA 5 -4.752 8.921 -0.159 26 HA ALA 5 HA ALA 5 -3.933 11.533 -0.834 27 HB1 ALA 5 HB1 ALA 5 -5.867 10.310 1.039 28 HB2 ALA 5 HB2 ALA 5 -5.351 11.965 1.445 29 HB3 ALA 5 HB3 ALA 5 -6.081 11.624 -0.144 30 H ASP 6 H ASP 6 -2.835 9.404 1.691 31 HA ASP 6 HA ASP 6 -1.747 11.448 3.414 32 HB2 ASP 6 HB2 ASP 6 -2.252 8.913 3.873 33 HB3 ASP 6 HB3 ASP 6 -0.611 8.660 3.240 34 H GLN 7 H GLN 7 -0.649 9.816 0.519 35 HA GLN 7 HA GLN 7 2.149 10.481 0.860 36 HB2 GLN 7 HB2 GLN 7 0.428 9.477 -1.397 37 HB3 GLN 7 HB3 GLN 7 2.062 10.077 -1.749 38 HG2 GLN 7 HG2 GLN 7 1.566 7.998 0.373 39 HG3 GLN 7 HG3 GLN 7 1.748 7.565 -1.342 40 HE21 GLN 7 HE21 GLN 7 3.420 6.803 0.883 41 HE22 GLN 7 HE22 GLN 7 5.059 7.451 0.524 42 H VAL 8 H VAL 8 -0.673 12.123 -0.397 43 HA VAL 8 HA VAL 8 1.028 14.242 -1.596 44 HB VAL 8 HB VAL 8 -1.143 15.213 -2.364 45 HG11 VAL 8 HG11 VAL 8 -1.610 13.474 -4.046 46 HG12 VAL 8 HG12 VAL 8 0.138 13.722 -3.814 47 HG13 VAL 8 HG13 VAL 8 -0.664 12.306 -3.094 48 HG21 VAL 8 HG21 VAL 8 -3.195 13.927 -2.151 49 HG22 VAL 8 HG22 VAL 8 -2.341 12.662 -1.233 50 HG23 VAL 8 HG23 VAL 8 -2.537 14.288 -0.535 51 H ARG 9 H ARG 9 0.761 13.703 1.355 52 HA ARG 9 HA ARG 9 -0.808 15.899 2.421 53 HB2 ARG 9 HB2 ARG 9 1.181 13.932 3.536 54 HB3 ARG 9 HB3 ARG 9 0.699 15.338 4.504 55 HG2 ARG 9 HG2 ARG 9 -1.337 13.482 3.280 56 HG3 ARG 9 HG3 ARG 9 -0.570 13.142 4.851 57 HD2 ARG 9 HD2 ARG 9 -1.591 14.927 5.891 58 HD3 ARG 9 HD3 ARG 9 -1.759 15.849 4.379 59 HE ARG 9 HE ARG 9 -3.403 13.639 4.042 60 HH11 ARG 9 HH11 ARG 9 -3.090 16.253 6.395 61 HH12 ARG 9 HH12 ARG 9 -4.812 16.270 6.787 62 HH21 ARG 9 HH21 ARG 9 -5.623 13.666 4.553 63 HH22 ARG 9 HH22 ARG 9 -6.241 14.811 5.750 64 H TYR 10 H TYR 10 0.502 17.330 4.143 65 HA TYR 10 HA TYR 10 2.990 18.353 2.910 66 HB2 TYR 10 HB2 TYR 10 2.215 20.605 2.676 67 HB3 TYR 10 HB3 TYR 10 1.020 19.568 1.866 68 HD1 TYR 10 HD1 TYR 10 1.670 21.665 4.831 69 HD2 TYR 10 HD2 TYR 10 -1.225 19.392 2.698 70 HE1 TYR 10 HE1 TYR 10 -0.114 22.664 6.198 71 HE2 TYR 10 HE2 TYR 10 -3.016 20.385 4.057 72 HH TYR 10 HH TYR 10 -3.538 21.783 5.690 73 H ASN 11 H ASN 11 4.165 19.837 4.278 74 HA ASN 11 HA ASN 11 3.359 19.562 7.149 75 HB2 ASN 11 HB2 ASN 11 5.267 18.179 6.884 76 HB3 ASN 11 HB3 ASN 11 6.079 19.355 5.828 77 HD21 ASN 11 HD21 ASN 11 7.659 20.441 6.712 78 HD22 ASN 11 HD22 ASN 11 7.811 20.824 8.463 79 H TYR 12 H TYR 12 3.596 21.308 8.499 80 HA TYR 12 HA TYR 12 3.589 23.896 7.172 81 HB2 TYR 12 HB2 TYR 12 3.433 23.023 10.074 82 HB3 TYR 12 HB3 TYR 12 3.441 24.732 9.591 83 HD1 TYR 12 HD2 TYR 12 1.652 25.317 7.703 84 HD2 TYR 12 HD1 TYR 12 1.386 21.999 10.354 85 HE1 TYR 12 HE2 TYR 12 -0.779 25.232 7.342 86 HE2 TYR 12 HE1 TYR 12 -1.046 21.904 10.000 87 HH TYR 12 HH TYR 12 -2.609 23.038 7.613 88 H THR 13 H THR 13 5.348 24.914 6.530 89 HA THR 13 HA THR 13 7.787 24.672 8.250 90 HB THR 13 HB THR 13 9.178 24.909 6.295 91 HG1 THR 13 HG1 THR 13 8.185 25.061 4.187 92 HG21 THR 13 HG21 THR 13 7.845 22.667 6.876 93 HG22 THR 13 HG22 THR 13 8.940 22.781 5.478 94 HG23 THR 13 HG23 THR 13 7.182 22.947 5.250 95 H GLU 14 H GLU 14 9.342 26.544 7.918 96 HA GLU 14 HA GLU 14 7.738 29.034 8.121 97 HB2 GLU 14 HB2 GLU 14 9.995 27.986 9.508 98 HB3 GLU 14 HB3 GLU 14 10.545 29.434 8.643 99 HG2 GLU 14 HG2 GLU 14 8.604 30.667 9.654 100 HG3 GLU 14 HG3 GLU 14 8.292 29.224 10.649 101 H LEU 15 H LEU 15 8.221 30.919 6.979 102 HA LEU 15 HA LEU 15 9.892 30.444 4.542 103 HB2 LEU 15 HB2 LEU 15 7.268 31.846 4.958 104 HB3 LEU 15 HB3 LEU 15 8.349 32.372 3.648 105 HG LEU 15 HG LEU 15 7.392 29.516 3.931 106 HD11 LEU 15 HD11 LEU 15 5.486 31.143 3.727 107 HD12 LEU 15 HD12 LEU 15 5.630 29.977 2.389 108 HD13 LEU 15 HD13 LEU 15 6.179 31.656 2.169 109 HD21 LEU 15 HD21 LEU 15 8.186 29.217 1.752 110 HD22 LEU 15 HD22 LEU 15 9.446 30.199 2.534 111 HD23 LEU 15 HD23 LEU 15 8.272 30.966 1.438 112 HA PRO 16 HA PRO 16 12.382 33.921 5.547 113 HB2 PRO 16 HB2 PRO 16 12.820 35.034 3.095 114 HB3 PRO 16 HB3 PRO 16 13.563 33.497 3.614 115 HG2 PRO 16 HG2 PRO 16 11.144 33.963 1.882 116 HG3 PRO 16 HG3 PRO 16 12.481 32.795 1.669 117 HD2 PRO 16 HD2 PRO 16 10.058 32.088 2.689 118 HD3 PRO 16 HD3 PRO 16 11.587 31.301 3.192 119 H ASN 17 H ASN 17 9.314 34.341 4.003 120 HA ASN 17 HA ASN 17 9.402 37.275 4.143 121 HB2 ASN 17 HB2 ASN 17 7.065 37.143 3.343 122 HB3 ASN 17 HB3 ASN 17 8.155 36.169 2.333 123 HD21 ASN 17 HD21 ASN 17 5.762 35.481 1.893 124 HD22 ASN 17 HD22 ASN 17 5.256 34.014 2.800 125 H GLY 18 H GLY 18 8.996 34.810 6.359 126 HA2 GLY 18 HA2 GLY 18 8.665 35.422 8.690 127 HA3 GLY 18 HA3 GLY 18 7.539 36.691 8.171 128 H GLU 19 H GLU 19 6.317 34.763 6.187 129 HA GLU 19 HA GLU 19 4.353 33.688 8.082 130 HB2 GLU 19 HB2 GLU 19 4.377 33.264 5.084 131 HB3 GLU 19 HB3 GLU 19 2.988 33.261 6.187 132 HG2 GLU 19 HG2 GLU 19 3.915 35.774 6.582 133 HG3 GLU 19 HG3 GLU 19 4.394 35.512 4.888 134 H TYR 20 H TYR 20 3.408 31.413 7.192 135 HA TYR 20 HA TYR 20 5.677 29.556 7.630 136 HB2 TYR 20 HB2 TYR 20 2.753 29.524 8.129 137 HB3 TYR 20 HB3 TYR 20 3.441 27.976 7.592 138 HD1 TYR 20 HD2 TYR 20 3.489 30.538 10.244 139 HD2 TYR 20 HD1 TYR 20 4.922 26.724 9.014 140 HE1 TYR 20 HE2 TYR 20 4.273 30.101 12.534 141 HE2 TYR 20 HE1 TYR 20 5.709 26.276 11.301 142 HH TYR 20 HH TYR 20 5.494 28.751 13.842 143 H CYS 21 H CYS 21 2.674 29.383 5.667 144 HA CYS 21 HA CYS 21 4.032 29.104 3.171 145 HB2 CYS 21 HB2 CYS 21 3.880 26.748 2.737 146 HB3 CYS 21 HB3 CYS 21 4.733 26.939 4.283 147 H TYR 22 H TYR 22 2.575 28.488 1.402 148 HA TYR 22 HA TYR 22 -0.182 29.339 2.083 149 HB2 TYR 22 HB2 TYR 22 1.447 29.207 -0.453 150 HB3 TYR 22 HB3 TYR 22 -0.325 29.294 -0.539 151 HD1 TYR 22 HD2 TYR 22 -0.997 31.122 1.634 152 HD2 TYR 22 HD1 TYR 22 2.239 31.280 -1.124 153 HE1 TYR 22 HE2 TYR 22 -0.894 33.564 1.905 154 HE2 TYR 22 HE1 TYR 22 2.354 33.723 -0.859 155 HH TYR 22 HH TYR 22 0.107 35.446 1.322 156 H THR 23 H THR 23 -1.803 27.967 2.270 157 HA THR 23 HA THR 23 -1.569 25.194 2.157 158 HB THR 23 HB THR 23 -4.203 25.491 1.490 159 HG1 THR 23 HG1 THR 23 -4.868 27.483 2.513 160 HG21 THR 23 HG21 THR 23 -2.686 25.677 4.074 161 HG22 THR 23 HG22 THR 23 -3.776 24.400 3.482 162 HG23 THR 23 HG23 THR 23 -4.447 25.937 4.080 163 HA PRO 24 HA PRO 24 -1.659 23.859 -2.029 164 HB2 PRO 24 HB2 PRO 24 -3.327 21.704 -1.932 165 HB3 PRO 24 HB3 PRO 24 -1.684 21.694 -1.238 166 HG2 PRO 24 HG2 PRO 24 -4.336 22.092 0.132 167 HG3 PRO 24 HG3 PRO 24 -2.929 21.116 0.650 168 HD2 PRO 24 HD2 PRO 24 -3.456 23.585 1.663 169 HD3 PRO 24 HD3 PRO 24 -1.789 22.955 1.466 170 H ARG 25 H ARG 25 -2.828 23.844 -3.968 171 HA ARG 25 HA ARG 25 -4.510 24.463 -5.404 172 HB2 ARG 25 HB2 ARG 25 -6.474 24.189 -3.108 173 HB3 ARG 25 HB3 ARG 25 -6.786 24.017 -4.847 174 HG2 ARG 25 HG2 ARG 25 -5.469 21.967 -4.906 175 HG3 ARG 25 HG3 ARG 25 -5.088 22.149 -3.175 176 HD2 ARG 25 HD2 ARG 25 -7.843 21.766 -4.385 177 HD3 ARG 25 HD3 ARG 25 -6.897 20.541 -3.508 178 HE ARG 25 HE ARG 25 -7.268 22.905 -1.905 179 HH11 ARG 25 HH11 ARG 25 -8.902 20.020 -3.118 180 HH12 ARG 25 HH12 ARG 25 -10.031 19.940 -1.762 181 HH21 ARG 25 HH21 ARG 25 -8.728 22.796 -0.158 182 HH22 ARG 25 HH22 ARG 25 -9.933 21.506 -0.093 183 H ARG 26 H ARG 26 -3.161 26.348 -3.422 184 HA ARG 26 HA ARG 26 -5.185 28.544 -3.579 185 HB2 ARG 26 HB2 ARG 26 -3.771 27.641 -1.375 186 HB3 ARG 26 HB3 ARG 26 -2.802 29.026 -1.917 187 HG2 ARG 26 HG2 ARG 26 -5.662 29.611 -1.890 188 HG3 ARG 26 HG3 ARG 26 -5.046 29.109 -0.295 189 HD2 ARG 26 HD2 ARG 26 -3.565 30.891 -0.159 190 HD3 ARG 26 HD3 ARG 26 -3.523 31.123 -1.923 191 HE ARG 26 HE ARG 26 -6.149 31.635 -0.801 192 HH11 ARG 26 HH11 ARG 26 -2.929 32.979 -1.341 193 HH12 ARG 26 HH12 ARG 26 -3.491 34.653 -1.323 194 HH21 ARG 26 HH21 ARG 26 -6.868 33.799 -0.780 195 HH22 ARG 26 HH22 ARG 26 -5.714 35.116 -1.005 196 H ARG 27 H ARG 27 -4.631 30.527 -4.436 197 HA ARG 27 HA ARG 27 -2.747 30.496 -6.565 198 HB2 ARG 27 HB2 ARG 27 -4.612 32.013 -6.630 199 HB3 ARG 27 HB3 ARG 27 -4.115 32.782 -5.109 200 HG2 ARG 27 HG2 ARG 27 -2.165 33.735 -6.173 201 HG3 ARG 27 HG3 ARG 27 -2.525 32.866 -7.686 202 HD2 ARG 27 HD2 ARG 27 -4.599 34.120 -7.939 203 HD3 ARG 27 HD3 ARG 27 -4.322 34.937 -6.382 204 HE ARG 27 HE ARG 27 -3.174 35.617 -8.952 205 HH11 ARG 27 HH11 ARG 27 -2.606 35.598 -5.468 206 HH12 ARG 27 HH12 ARG 27 -1.469 36.948 -5.523 207 HH21 ARG 27 HH21 ARG 27 -1.704 37.358 -9.017 208 HH22 ARG 27 HH22 ARG 27 -0.960 37.942 -7.523 209 H CYS 28 H CYS 28 -0.624 30.768 -6.651 210 HA CYS 28 HA CYS 28 0.688 32.295 -4.459 211 HB2 CYS 28 HB2 CYS 28 2.508 30.571 -4.388 212 HB3 CYS 28 HB3 CYS 28 0.941 29.982 -3.792 213 H THR 29 H THR 29 2.951 32.890 -4.984 214 HA THR 29 HA THR 29 3.205 33.313 -7.937 215 HB THR 29 HB THR 29 2.845 35.419 -6.761 216 HG1 THR 29 HG1 THR 29 4.820 36.466 -7.441 217 HG21 THR 29 HG21 THR 29 3.521 35.100 -4.548 218 HG22 THR 29 HG22 THR 29 4.794 36.160 -5.203 219 HG23 THR 29 HG23 THR 29 5.094 34.414 -5.024 220 H SER 30 H SER 30 4.672 32.097 -5.037 221 HA SER 30 HA SER 30 7.087 31.390 -6.648 222 HB2 SER 30 HB2 SER 30 7.246 31.996 -3.684 223 HB3 SER 30 HB3 SER 30 8.562 31.919 -4.882 224 HG SER 30 HG SER 30 7.114 34.049 -4.106 225 H ALA 31 H ALA 31 7.855 29.346 -6.424 226 HA ALA 31 HA ALA 31 6.068 27.361 -5.404 227 HB1 ALA 31 HB1 ALA 31 8.896 27.339 -6.420 228 HB2 ALA 31 HB2 ALA 31 8.190 25.874 -5.692 229 HB3 ALA 31 HB3 ALA 31 7.430 26.612 -7.124 230 H ASP 32 H ASP 32 8.988 28.888 -4.082 231 HA ASP 32 HA ASP 32 9.444 27.181 -1.898 232 HB2 ASP 32 HB2 ASP 32 10.707 29.331 -2.760 233 HB3 ASP 32 HB3 ASP 32 9.693 30.164 -1.559 234 H GLN 33 H GLN 33 7.087 29.802 -2.287 235 HA GLN 33 HA GLN 33 6.262 29.909 0.446 236 HB2 GLN 33 HB2 GLN 33 4.905 30.630 -2.163 237 HB3 GLN 33 HB3 GLN 33 4.101 30.846 -0.594 238 HG2 GLN 33 HG2 GLN 33 5.430 32.589 0.014 239 HG3 GLN 33 HG3 GLN 33 6.832 31.986 -0.900 240 HE21 GLN 33 HE21 GLN 33 3.486 32.594 -1.946 241 HE22 GLN 33 HE22 GLN 33 3.922 33.823 -3.184 242 H CYS 34 H CYS 34 5.079 28.032 -2.349 243 HA CYS 34 HA CYS 34 2.819 26.869 -1.175 244 HB2 CYS 34 HB2 CYS 34 3.271 26.530 -3.509 245 HB3 CYS 34 HB3 CYS 34 4.821 25.738 -3.158 246 H CYS 35 H CYS 35 2.451 25.516 0.442 247 HA CYS 35 HA CYS 35 4.421 24.689 2.245 248 HB2 CYS 35 HB2 CYS 35 1.797 23.267 1.646 249 HB3 CYS 35 HB3 CYS 35 2.746 23.137 3.144 250 H ARG 36 H ARG 36 5.722 22.949 2.530 251 HA ARG 36 HA ARG 36 6.214 21.322 0.137 252 HB2 ARG 36 HB2 ARG 36 7.590 21.838 2.741 253 HB3 ARG 36 HB3 ARG 36 7.924 20.291 1.938 254 HG2 ARG 36 HG2 ARG 36 9.602 21.838 1.257 255 HG3 ARG 36 HG3 ARG 36 8.512 21.587 -0.129 256 HD2 ARG 36 HD2 ARG 36 7.574 23.697 0.054 257 HD3 ARG 36 HD3 ARG 36 7.999 23.851 1.776 258 HE ARG 36 HE ARG 36 9.572 24.691 -0.481 259 HH11 ARG 36 HH11 ARG 36 9.793 23.270 2.743 260 HH12 ARG 36 HH12 ARG 36 11.417 23.897 3.040 261 HH21 ARG 36 HH21 ARG 36 11.669 25.496 -0.091 262 HH22 ARG 36 HH22 ARG 36 12.475 25.152 1.442 263 HA PRO 37 HA PRO 37 4.085 17.651 1.278 264 HB2 PRO 37 HB2 PRO 37 5.829 15.708 0.492 265 HB3 PRO 37 HB3 PRO 37 4.900 16.705 -0.659 266 HG2 PRO 37 HG2 PRO 37 7.756 16.994 0.251 267 HG3 PRO 37 HG3 PRO 37 7.070 17.145 -1.396 268 HD2 PRO 37 HD2 PRO 37 7.681 19.303 0.144 269 HD3 PRO 37 HD3 PRO 37 6.324 19.302 -1.026 270 H TYR 38 H TYR 38 3.836 16.172 2.907 271 HA TYR 38 HA TYR 38 5.276 16.534 5.293 272 HB2 TYR 38 HB2 TYR 38 2.995 15.381 4.872 273 HB3 TYR 38 HB3 TYR 38 3.947 13.908 4.582 274 HD1 TYR 38 HD2 TYR 38 5.663 13.305 6.478 275 HD2 TYR 38 HD1 TYR 38 2.301 15.853 7.028 276 HE1 TYR 38 HE2 TYR 38 5.740 12.873 8.898 277 HE2 TYR 38 HE1 TYR 38 2.368 15.430 9.451 278 HH TYR 38 HH TYR 38 4.761 13.189 10.864 279 H ASP 39 H ASP 39 5.882 14.378 2.577 280 HA ASP 39 HA ASP 39 8.400 13.534 3.956 281 HB2 ASP 39 HB2 ASP 39 8.096 11.389 2.482 282 HB3 ASP 39 HB3 ASP 39 7.190 11.539 4.004 283 H THR 40 H THR 40 9.690 15.029 2.937 284 HA THR 40 HA THR 40 9.575 15.707 0.191 285 HB THR 40 HB THR 40 12.193 16.080 0.649 286 HG1 THR 40 HG1 THR 40 12.458 16.486 2.934 287 HG21 THR 40 HG21 THR 40 11.602 18.250 0.857 288 HG22 THR 40 HG22 THR 40 10.580 17.934 2.280 289 HG23 THR 40 HG23 THR 40 9.941 17.648 0.643 290 H THR 41 H THR 41 10.774 12.865 1.780 291 HA THR 41 HA THR 41 12.498 12.065 -0.447 292 HB THR 41 HB THR 41 13.031 11.365 1.854 293 HG1 THR 41 HG1 THR 41 12.519 9.499 -0.206 294 HG21 THR 41 HG21 THR 41 10.860 11.119 2.840 295 HG22 THR 41 HG22 THR 41 11.636 9.517 2.866 296 HG23 THR 41 HG23 THR 41 10.393 9.884 1.647 297 H ALA 42 H ALA 42 9.166 12.021 0.190 298 HA ALA 42 HA ALA 42 8.802 10.019 -1.995 299 HB1 ALA 42 HB1 ALA 42 6.594 9.475 -0.666 300 HB2 ALA 42 HB2 ALA 42 8.133 8.687 -0.242 301 HB3 ALA 42 HB3 ALA 42 7.541 10.061 0.723 302 H ALA 43 H ALA 43 8.827 13.027 -1.788 303 HA ALA 43 HA ALA 43 6.690 13.535 -3.587 304 HB1 ALA 43 HB1 ALA 43 5.062 13.359 -1.935 305 HB2 ALA 43 HB2 ALA 43 6.099 14.104 -0.692 306 HB3 ALA 43 HB3 ALA 43 5.392 15.108 -1.981 307 H PHE 44 H PHE 44 6.386 15.901 -4.011 308 HA PHE 44 HA PHE 44 8.715 17.498 -3.065 309 HB2 PHE 44 HB2 PHE 44 8.931 18.356 -5.465 310 HB3 PHE 44 HB3 PHE 44 9.505 16.701 -5.164 311 HD1 PHE 44 HD2 PHE 44 8.170 14.780 -5.934 312 HD2 PHE 44 HD1 PHE 44 7.099 18.779 -6.914 313 HE1 PHE 44 HE2 PHE 44 6.711 13.943 -7.730 314 HE2 PHE 44 HE1 PHE 44 5.637 17.951 -8.710 315 HZ PHE 44 HZ PHE 44 5.440 15.531 -9.121 316 H HIS 45 H HIS 45 8.466 19.837 -4.092 317 HA HIS 45 HA HIS 45 5.585 20.599 -3.860 318 HB2 HIS 45 HB2 HIS 45 6.101 22.435 -2.434 319 HB3 HIS 45 HB3 HIS 45 6.949 21.032 -1.748 320 HD2 HIS 45 HD2 HIS 45 7.708 24.557 -3.063 321 HE1 HIS 45 HE1 HIS 45 11.432 22.634 -2.415 322 HE2 HIS 45 HE2 HIS 45 10.293 24.854 -2.919 323 H GLY 46 H GLY 46 5.231 22.930 -4.603 324 HA2 GLY 46 HA2 GLY 46 6.884 24.436 -6.186 325 HA3 GLY 46 HA3 GLY 46 6.416 23.121 -7.279 326 H CYS 47 H CYS 47 5.834 25.790 -7.821 327 HA CYS 47 HA CYS 47 2.888 25.884 -7.311 328 HB2 CYS 47 HB2 CYS 47 4.997 28.002 -7.560 329 HB3 CYS 47 HB3 CYS 47 3.364 28.378 -8.151 330 H GLY 48 H GLY 48 1.580 25.516 -8.966 331 HA2 GLY 48 HA2 GLY 48 2.077 26.546 -11.605 332 HA3 GLY 48 HA3 GLY 48 2.504 24.825 -11.541 333 H ARG 49 H ARG 49 0.835 24.454 -13.103 334 HA ARG 49 HA ARG 49 -1.839 24.304 -11.782 335 HB2 ARG 49 HB2 ARG 49 -1.337 25.052 -14.688 336 HB3 ARG 49 HB3 ARG 49 -2.921 24.879 -13.905 337 HG2 ARG 49 HG2 ARG 49 -2.585 26.807 -12.574 338 HG3 ARG 49 HG3 ARG 49 -0.850 26.871 -12.974 339 HD2 ARG 49 HD2 ARG 49 -2.895 27.048 -15.166 340 HD3 ARG 49 HD3 ARG 49 -2.559 28.476 -14.160 341 HE ARG 49 HE ARG 49 -0.055 27.683 -14.894 342 HH11 ARG 49 HH11 ARG 49 -3.044 28.245 -16.689 343 HH12 ARG 49 HH12 ARG 49 -2.207 28.747 -18.162 344 HH21 ARG 49 HH21 ARG 49 1.017 28.331 -16.799 345 HH22 ARG 49 HH22 ARG 49 0.082 28.796 -18.225 346 H ILE 50 H ILE 50 -1.610 22.136 -11.305 347 HA ILE 50 HA ILE 50 -1.014 20.296 -13.550 348 HB ILE 50 HB ILE 50 -1.108 18.519 -11.791 349 HG12 ILE 50 HG12 ILE 50 -1.038 20.675 -9.695 350 HG13 ILE 50 HG13 ILE 50 -2.615 20.151 -10.327 351 HG21 ILE 50 HG21 ILE 50 1.071 18.861 -11.227 352 HG22 ILE 50 HG22 ILE 50 0.916 20.149 -12.446 353 HG23 ILE 50 HG23 ILE 50 0.792 20.542 -10.715 354 HD11 ILE 50 HD11 ILE 50 -0.577 18.594 -8.766 355 HD12 ILE 50 HD12 ILE 50 -2.318 18.815 -8.459 356 HD13 ILE 50 HD13 ILE 50 -1.774 17.763 -9.788 357 H TRP 51 H TRP 51 -3.572 21.927 -13.138 358 HA TRP 51 HA TRP 51 -5.386 19.610 -13.587 359 HB2 TRP 51 HB2 TRP 51 -5.870 21.928 -11.684 360 HB3 TRP 51 HB3 TRP 51 -7.175 20.890 -12.301 361 HD1 TRP 51 HD1 TRP 51 -5.004 21.191 -9.406 362 HE1 TRP 51 HE1 TRP 51 -4.846 18.977 -8.058 363 HE3 TRP 51 HE3 TRP 51 -6.958 18.036 -12.920 364 HZ2 TRP 51 HZ2 TRP 51 -5.492 16.258 -8.499 365 HZ3 TRP 51 HZ3 TRP 51 -7.154 15.644 -12.380 366 HH2 TRP 51 HH2 TRP 51 -6.436 14.774 -10.215 367 HA PRO 52 HA PRO 52 -6.852 21.920 -17.028 368 HB2 PRO 52 HB2 PRO 52 -9.470 21.160 -17.112 369 HB3 PRO 52 HB3 PRO 52 -8.127 20.077 -17.568 370 HG2 PRO 52 HG2 PRO 52 -9.669 20.230 -14.986 371 HG3 PRO 52 HG3 PRO 52 -9.148 18.790 -15.909 372 HD2 PRO 52 HD2 PRO 52 -7.820 19.685 -13.709 373 HD3 PRO 52 HD3 PRO 52 -6.990 18.880 -15.080 374 H LYS 53 H LYS 53 -8.930 22.035 -14.120 375 HA LYS 53 HA LYS 53 -10.448 24.312 -14.846 376 HB2 LYS 53 HB2 LYS 53 -9.715 22.936 -12.301 377 HB3 LYS 53 HB3 LYS 53 -10.321 24.599 -12.161 378 HG2 LYS 53 HG2 LYS 53 -12.247 23.334 -11.959 379 HG3 LYS 53 HG3 LYS 53 -12.251 23.775 -13.685 380 HD2 LYS 53 HD2 LYS 53 -10.835 21.263 -12.995 381 HD3 LYS 53 HD3 LYS 53 -12.601 21.249 -12.762 382 HE2 LYS 53 HE2 LYS 53 -11.304 22.220 -15.314 383 HE3 LYS 53 HE3 LYS 53 -11.719 20.511 -15.043 384 HZ1 LYS 53 HZ1 LYS 53 -13.676 21.121 -15.917 385 HZ2 LYS 53 HZ2 LYS 53 -13.446 22.768 -15.609 386 HZ3 LYS 53 HZ3 LYS 53 -14.009 21.749 -14.382 387 H ASP 54 H ASP 54 -7.245 24.023 -13.347 388 HA ASP 54 HA ASP 54 -6.984 26.825 -12.731 389 HB2 ASP 54 HB2 ASP 54 -5.080 24.497 -12.968 390 HB3 ASP 54 HB3 ASP 54 -4.444 26.149 -12.805 391 H LYS 55 H LYS 55 -6.431 24.875 -15.596 392 HA LYS 55 HA LYS 55 -4.796 26.807 -16.978 393 HB2 LYS 55 HB2 LYS 55 -5.952 24.205 -17.492 394 HB3 LYS 55 HB3 LYS 55 -6.238 25.272 -18.882 395 HG2 LYS 55 HG2 LYS 55 -4.095 25.205 -19.510 396 HG3 LYS 55 HG3 LYS 55 -3.507 25.447 -17.846 397 HD2 LYS 55 HD2 LYS 55 -4.409 22.919 -17.632 398 HD3 LYS 55 HD3 LYS 55 -3.998 22.935 -19.364 399 HE2 LYS 55 HE2 LYS 55 -2.116 23.807 -17.153 400 HE3 LYS 55 HE3 LYS 55 -2.147 22.170 -17.852 401 HZ1 LYS 55 HZ1 LYS 55 -2.012 24.054 -19.938 402 HZ2 LYS 55 HZ2 LYS 55 -0.871 22.884 -19.500 403 HZ3 LYS 55 HZ3 LYS 55 -0.807 24.427 -18.812 404 H ARG 56 H ARG 56 -8.286 26.176 -16.791 405 HA ARG 56 HA ARG 56 -9.031 27.978 -18.889 406 HB2 ARG 56 HB2 ARG 56 -10.718 27.332 -16.456 407 HB3 ARG 56 HB3 ARG 56 -11.263 27.728 -18.098 408 HG2 ARG 56 HG2 ARG 56 -9.950 25.551 -18.744 409 HG3 ARG 56 HG3 ARG 56 -10.149 25.165 -17.018 410 HD2 ARG 56 HD2 ARG 56 -12.454 25.997 -18.792 411 HD3 ARG 56 HD3 ARG 56 -11.947 24.301 -18.607 412 HE ARG 56 HE ARG 56 -12.256 25.133 -16.014 413 HH11 ARG 56 HH11 ARG 56 -14.287 25.273 -18.899 414 HH12 ARG 56 HH12 ARG 56 -15.797 25.177 -17.988 415 HH21 ARG 56 HH21 ARG 56 -14.208 25.009 -14.847 416 HH22 ARG 56 HH22 ARG 56 -15.753 25.029 -15.703 417 H GLU 57 H GLU 57 -8.608 28.374 -15.375 418 HA GLU 57 HA GLU 57 -9.441 31.181 -15.493 419 HB2 GLU 57 HB2 GLU 57 -8.172 29.545 -13.267 420 HB3 GLU 57 HB3 GLU 57 -8.784 31.203 -13.092 421 HG2 GLU 57 HG2 GLU 57 -10.290 28.637 -13.467 422 HG3 GLU 57 HG3 GLU 57 -10.529 29.934 -12.271 423 H LYS 58 H LYS 58 -6.523 29.356 -15.845 424 HA LYS 58 HA LYS 58 -4.364 30.001 -16.281 425 HB2 LYS 58 HB2 LYS 58 -5.360 32.846 -16.599 426 HB3 LYS 58 HB3 LYS 58 -3.961 32.079 -17.373 427 HG2 LYS 58 HG2 LYS 58 -6.146 30.522 -18.153 428 HG3 LYS 58 HG3 LYS 58 -6.722 32.204 -18.236 429 HD2 LYS 58 HD2 LYS 58 -5.760 31.577 -20.367 430 HD3 LYS 58 HD3 LYS 58 -4.713 32.783 -19.578 431 HE2 LYS 58 HE2 LYS 58 -3.083 31.190 -19.039 432 HE3 LYS 58 HE3 LYS 58 -4.208 29.829 -19.258 433 HZ1 LYS 58 HZ1 LYS 58 -2.554 30.108 -21.075 434 HZ2 LYS 58 HZ2 LYS 58 -3.281 31.581 -21.476 435 HZ3 LYS 58 HZ3 LYS 58 -4.159 30.141 -21.606 436 H VAL 59 H VAL 59 -4.495 29.567 -13.789 437 HA VAL 59 HA VAL 59 -2.925 31.745 -12.571 438 HB VAL 59 HB VAL 59 -5.159 32.385 -11.877 439 HG11 VAL 59 HG11 VAL 59 -5.481 29.642 -10.640 440 HG12 VAL 59 HG12 VAL 59 -6.694 30.938 -10.765 441 HG13 VAL 59 HG13 VAL 59 -6.145 30.088 -12.229 442 HG21 VAL 59 HG21 VAL 59 -3.118 32.267 -10.245 443 HG22 VAL 59 HG22 VAL 59 -4.742 32.625 -9.609 444 HG23 VAL 59 HG23 VAL 59 -4.068 30.984 -9.452 445 H ASP 60 H ASP 60 -1.201 30.863 -11.676 446 HA ASP 60 HA ASP 60 -1.113 27.983 -11.212 447 HB2 ASP 60 HB2 ASP 60 0.983 30.026 -10.411 448 HB3 ASP 60 HB3 ASP 60 1.213 28.297 -10.758 449 H ARG 61 H ARG 61 -1.261 26.878 -9.353 450 HA ARG 61 HA ARG 61 -1.373 28.471 -6.829 451 HB2 ARG 61 HB2 ARG 61 -3.236 26.175 -7.543 452 HB3 ARG 61 HB3 ARG 61 -3.251 27.126 -6.043 453 HG2 ARG 61 HG2 ARG 61 -3.552 29.125 -7.794 454 HG3 ARG 61 HG3 ARG 61 -4.260 27.804 -8.757 455 HD2 ARG 61 HD2 ARG 61 -5.057 28.313 -5.888 456 HD3 ARG 61 HD3 ARG 61 -5.834 29.158 -7.249 457 HE ARG 61 HE ARG 61 -6.187 26.372 -6.446 458 HH11 ARG 61 HH11 ARG 61 -6.397 28.721 -9.072 459 HH12 ARG 61 HH12 ARG 61 -7.592 27.785 -9.978 460 HH21 ARG 61 HH21 ARG 61 -7.728 25.168 -7.619 461 HH22 ARG 61 HH22 ARG 61 -8.342 25.782 -9.158 462 H CYS 62 H CYS 62 -1.011 27.193 -4.872 463 HA CYS 62 HA CYS 62 1.315 25.598 -5.089 464 HB2 CYS 62 HB2 CYS 62 0.808 26.707 -3.016 465 HB3 CYS 62 HB3 CYS 62 -0.745 25.856 -2.870 466 H TYR 63 H TYR 63 1.732 23.456 -5.217 467 HA TYR 63 HA TYR 63 -0.536 21.561 -5.033 468 HB2 TYR 63 HB2 TYR 63 -0.169 20.582 -7.188 469 HB3 TYR 63 HB3 TYR 63 -0.328 22.334 -7.439 470 HD1 TYR 63 HD2 TYR 63 2.023 19.496 -7.415 471 HD2 TYR 63 HD1 TYR 63 1.530 23.643 -8.223 472 HE1 TYR 63 HE2 TYR 63 4.180 19.516 -8.596 473 HE2 TYR 63 HE1 TYR 63 3.685 23.675 -9.407 474 HH TYR 63 HH TYR 63 5.665 20.716 -9.713 475 H ILE 64 H ILE 64 0.087 19.369 -4.755 476 HA ILE 64 HA ILE 64 2.989 18.902 -4.330 477 HB ILE 64 HB ILE 64 0.870 18.370 -2.216 478 HG12 ILE 64 HG12 ILE 64 3.322 20.176 -2.170 479 HG13 ILE 64 HG13 ILE 64 1.645 20.732 -2.376 480 HG21 ILE 64 HG21 ILE 64 3.417 17.926 -1.148 481 HG22 ILE 64 HG22 ILE 64 2.191 16.700 -1.551 482 HG23 ILE 64 HG23 ILE 64 3.444 17.132 -2.740 483 HD11 ILE 64 HD11 ILE 64 3.073 20.355 0.021 484 HD12 ILE 64 HD12 ILE 64 1.357 20.787 -0.181 485 HD13 ILE 64 HD13 ILE 64 1.832 19.079 -0.033 486 H CYS 65 H CYS 65 3.573 17.072 -5.262 487 HA CYS 65 HA CYS 65 1.504 14.922 -5.495 488 HB2 CYS 65 HB2 CYS 65 3.626 15.752 -7.511 489 HB3 CYS 65 HB3 CYS 65 2.631 14.286 -7.648 490 H ASN 66 H ASN 66 2.273 12.744 -5.508 491 HA ASN 66 HA ASN 66 4.395 12.333 -3.597 492 HB2 ASN 66 HB2 ASN 66 3.968 9.935 -3.969 493 HB3 ASN 66 HB3 ASN 66 2.447 10.831 -3.760 494 HD21 ASN 66 HD21 ASN 66 2.454 8.338 -4.872 495 HD22 ASN 66 HD22 ASN 66 2.061 8.471 -6.623 496 H ASN 67 H ASN 67 6.208 10.767 -3.982 497 HA ASN 67 HA ASN 67 7.955 11.806 -5.954 498 HB2 ASN 67 HB2 ASN 67 9.448 9.974 -5.364 499 HB3 ASN 67 HB3 ASN 67 8.665 10.593 -3.893 500 HD21 ASN 67 HD21 ASN 67 9.871 7.936 -4.789 501 HD22 ASN 67 HD22 ASN 67 8.606 6.741 -4.337 502 H GLU 68 H GLU 68 5.618 9.186 -6.065 503 HA GLU 68 HA GLU 68 6.668 8.073 -8.547 504 HB2 GLU 68 HB2 GLU 68 3.976 7.683 -7.186 505 HB3 GLU 68 HB3 GLU 68 4.607 6.712 -8.529 506 HG2 GLU 68 HG2 GLU 68 6.327 6.913 -6.120 507 HG3 GLU 68 HG3 GLU 68 4.812 5.996 -5.949 508 H LYS 69 H LYS 69 4.921 10.842 -7.761 509 HA LYS 69 HA LYS 69 3.722 12.353 -9.005 510 HB2 LYS 69 HB2 LYS 69 5.401 10.978 -11.099 511 HB3 LYS 69 HB3 LYS 69 4.203 12.194 -11.584 512 HG2 LYS 69 HG2 LYS 69 5.301 13.906 -10.382 513 HG3 LYS 69 HG3 LYS 69 6.314 12.740 -9.496 514 HD2 LYS 69 HD2 LYS 69 7.400 12.110 -11.636 515 HD3 LYS 69 HD3 LYS 69 6.433 13.353 -12.466 516 HE2 LYS 69 HE2 LYS 69 7.437 14.993 -10.750 517 HE3 LYS 69 HE3 LYS 69 8.618 13.704 -10.413 518 HZ1 LYS 69 HZ1 LYS 69 8.111 14.850 -13.113 519 HZ2 LYS 69 HZ2 LYS 69 9.323 13.749 -12.689 520 HZ3 LYS 69 HZ3 LYS 69 9.373 15.331 -12.093 521 H THR 70 H THR 70 2.610 9.621 -8.455 522 HA THR 70 HA THR 70 0.793 9.264 -10.769 523 HB THR 70 HB THR 70 0.019 7.246 -9.647 524 HG1 THR 70 HG1 THR 70 0.269 6.988 -7.552 525 HG21 THR 70 HG21 THR 70 2.692 6.523 -9.090 526 HG22 THR 70 HG22 THR 70 2.766 7.749 -10.377 527 HG23 THR 70 HG23 THR 70 1.790 6.277 -10.603 528 H LEU 71 H LEU 71 0.762 10.184 -7.339 529 HA LEU 71 HA LEU 71 -2.114 10.936 -7.681 530 HB2 LEU 71 HB2 LEU 71 -1.341 9.186 -5.915 531 HB3 LEU 71 HB3 LEU 71 -0.749 10.604 -5.018 532 HG LEU 71 HG LEU 71 -3.250 11.433 -5.425 533 HD11 LEU 71 HD11 LEU 71 -3.304 8.472 -5.850 534 HD12 LEU 71 HD12 LEU 71 -4.280 9.757 -6.603 535 HD13 LEU 71 HD13 LEU 71 -4.630 9.234 -4.939 536 HD21 LEU 71 HD21 LEU 71 -3.414 11.196 -3.200 537 HD22 LEU 71 HD22 LEU 71 -1.773 10.519 -3.296 538 HD23 LEU 71 HD23 LEU 71 -3.183 9.432 -3.275 539 H CYS 72 H CYS 72 -2.835 12.938 -6.961 540 HA CYS 72 HA CYS 72 -0.805 14.831 -5.934 541 HB2 CYS 72 HB2 CYS 72 -2.368 15.275 -8.508 542 HB3 CYS 72 HB3 CYS 72 -1.432 16.528 -7.663 543 H THR 73 H THR 73 -1.793 16.949 -5.330 544 HA THR 73 HA THR 73 -4.025 16.525 -3.636 545 HB THR 73 HB THR 73 -4.137 19.178 -3.828 546 HG1 THR 73 HG1 THR 73 -2.034 19.970 -4.467 547 HG21 THR 73 HG21 THR 73 -3.192 18.931 -1.820 548 HG22 THR 73 HG22 THR 73 -1.604 18.694 -2.588 549 HG23 THR 73 HG23 THR 73 -2.658 17.295 -2.271 550 H SER 74 H SER 74 -6.179 17.196 -3.708 551 HA SER 74 HA SER 74 -7.527 16.743 -6.141 552 HB2 SER 74 HB2 SER 74 -8.851 16.497 -4.227 553 HB3 SER 74 HB3 SER 74 -8.309 18.043 -3.533 554 HG SER 74 HG SER 74 -10.465 18.143 -4.359 555 H VAL 75 H VAL 75 -8.870 18.190 -7.418 556 HA VAL 75 HA VAL 75 -7.340 20.569 -8.164 557 HB VAL 75 HB VAL 75 -8.364 19.135 -9.885 558 HG11 VAL 75 HG11 VAL 75 -10.497 18.461 -9.855 559 HG12 VAL 75 HG12 VAL 75 -10.565 19.103 -8.196 560 HG13 VAL 75 HG13 VAL 75 -11.098 20.111 -9.562 561 HG21 VAL 75 HG21 VAL 75 -9.610 21.900 -9.812 562 HG22 VAL 75 HG22 VAL 75 -7.943 21.538 -10.321 563 HG23 VAL 75 HG23 VAL 75 -9.317 20.902 -11.257 564 H MET 76 H MET 76 -10.231 19.815 -6.338 565 HA MET 76 HA MET 76 -11.137 22.617 -6.366 566 HB2 MET 76 HB2 MET 76 -12.150 20.132 -4.939 567 HB3 MET 76 HB3 MET 76 -12.895 21.736 -4.783 568 HG2 MET 76 HG2 MET 76 -13.289 21.756 -7.227 569 HG3 MET 76 HG3 MET 76 -12.622 20.109 -7.319 570 HE1 MET 76 HE1 MET 76 -16.735 21.416 -5.791 571 HE2 MET 76 HE2 MET 76 -15.322 21.962 -4.856 572 HE3 MET 76 HE3 MET 76 -15.479 22.408 -6.570 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 3.738 -2.050 -2.797 2 H2 GLY 1 H2 GLY 1 3.831 -0.710 -3.836 3 H3 GLY 1 H3 GLY 1 4.445 -0.604 -2.257 4 HA2 GLY 1 HA2 GLY 1 1.767 -1.423 -2.193 5 HA3 GLY 1 HA3 GLY 1 2.539 -0.014 -1.442 6 H THR 2 H THR 2 0.379 0.924 -1.946 7 HA THR 2 HA THR 2 0.404 1.973 -4.750 8 HB THR 2 HB THR 2 -2.177 2.320 -4.143 9 HG1 THR 2 HG1 THR 2 -2.903 0.437 -2.961 10 HG21 THR 2 HG21 THR 2 -0.667 0.067 -5.375 11 HG22 THR 2 HG22 THR 2 -1.900 1.142 -6.076 12 HG23 THR 2 HG23 THR 2 -2.390 -0.214 -5.032 13 HA PRO 3 HA PRO 3 0.440 6.061 -3.129 14 HB2 PRO 3 HB2 PRO 3 -1.213 7.373 -4.855 15 HB3 PRO 3 HB3 PRO 3 0.416 6.809 -5.308 16 HG2 PRO 3 HG2 PRO 3 -2.265 5.546 -5.848 17 HG3 PRO 3 HG3 PRO 3 -0.859 5.733 -6.940 18 HD2 PRO 3 HD2 PRO 3 -1.425 3.401 -5.658 19 HD3 PRO 3 HD3 PRO 3 0.250 3.919 -6.031 20 H SER 4 H SER 4 -0.681 7.575 -1.889 21 HA SER 4 HA SER 4 -3.585 7.185 -1.514 22 HB2 SER 4 HB2 SER 4 -1.605 6.889 0.782 23 HB3 SER 4 HB3 SER 4 -3.377 6.932 0.937 24 HG SER 4 HG SER 4 -2.535 4.777 0.910 25 H ALA 5 H ALA 5 -4.555 8.856 -0.132 26 HA ALA 5 HA ALA 5 -3.718 11.438 -0.886 27 HB1 ALA 5 HB1 ALA 5 -5.546 10.395 1.261 28 HB2 ALA 5 HB2 ALA 5 -5.195 12.135 1.143 29 HB3 ALA 5 HB3 ALA 5 -5.940 11.282 -0.230 30 H ASP 6 H ASP 6 -2.654 9.401 1.733 31 HA ASP 6 HA ASP 6 -1.581 11.480 3.405 32 HB2 ASP 6 HB2 ASP 6 -2.028 8.932 3.881 33 HB3 ASP 6 HB3 ASP 6 -0.377 8.719 3.264 34 H GLN 7 H GLN 7 -0.502 9.940 0.478 35 HA GLN 7 HA GLN 7 2.303 10.631 0.821 36 HB2 GLN 7 HB2 GLN 7 0.619 9.677 -1.504 37 HB3 GLN 7 HB3 GLN 7 2.314 10.158 -1.725 38 HG2 GLN 7 HG2 GLN 7 1.681 8.202 0.435 39 HG3 GLN 7 HG3 GLN 7 1.600 7.648 -1.253 40 HE21 GLN 7 HE21 GLN 7 3.609 8.593 1.389 41 HE22 GLN 7 HE22 GLN 7 5.185 8.283 0.583 42 H VAL 8 H VAL 8 -0.557 12.174 -0.507 43 HA VAL 8 HA VAL 8 1.083 14.330 -1.705 44 HB VAL 8 HB VAL 8 -1.097 15.245 -2.475 45 HG11 VAL 8 HG11 VAL 8 -0.331 12.401 -3.116 46 HG12 VAL 8 HG12 VAL 8 -1.682 13.208 -3.948 47 HG13 VAL 8 HG13 VAL 8 -0.038 13.883 -4.056 48 HG21 VAL 8 HG21 VAL 8 -2.259 12.743 -1.211 49 HG22 VAL 8 HG22 VAL 8 -2.482 14.406 -0.618 50 HG23 VAL 8 HG23 VAL 8 -3.139 13.929 -2.202 51 H ARG 9 H ARG 9 0.640 13.718 1.296 52 HA ARG 9 HA ARG 9 -0.874 15.943 2.325 53 HB2 ARG 9 HB2 ARG 9 1.096 13.970 3.465 54 HB3 ARG 9 HB3 ARG 9 0.620 15.384 4.427 55 HG2 ARG 9 HG2 ARG 9 -1.377 13.467 3.211 56 HG3 ARG 9 HG3 ARG 9 -0.686 13.264 4.840 57 HD2 ARG 9 HD2 ARG 9 -2.517 14.463 5.437 58 HD3 ARG 9 HD3 ARG 9 -1.465 15.833 5.012 59 HE ARG 9 HE ARG 9 -2.826 16.304 3.207 60 HH11 ARG 9 HH11 ARG 9 -3.479 13.047 4.403 61 HH12 ARG 9 HH12 ARG 9 -4.888 12.817 3.363 62 HH21 ARG 9 HH21 ARG 9 -4.646 15.999 1.866 63 HH22 ARG 9 HH22 ARG 9 -5.545 14.480 1.932 64 H TYR 10 H TYR 10 0.410 17.380 4.063 65 HA TYR 10 HA TYR 10 2.895 18.422 2.825 66 HB2 TYR 10 HB2 TYR 10 2.109 20.671 2.654 67 HB3 TYR 10 HB3 TYR 10 0.888 19.653 1.861 68 HD1 TYR 10 HD1 TYR 10 1.632 21.700 4.836 69 HD2 TYR 10 HD2 TYR 10 -1.327 19.447 2.772 70 HE1 TYR 10 HE1 TYR 10 -0.106 22.672 6.280 71 HE2 TYR 10 HE2 TYR 10 -3.074 20.412 4.208 72 HH TYR 10 HH TYR 10 -3.545 21.784 5.877 73 H ASN 11 H ASN 11 4.110 19.843 4.206 74 HA ASN 11 HA ASN 11 3.354 19.507 7.084 75 HB2 ASN 11 HB2 ASN 11 5.242 18.131 6.814 76 HB3 ASN 11 HB3 ASN 11 6.024 19.260 5.682 77 HD21 ASN 11 HD21 ASN 11 7.602 20.450 6.441 78 HD22 ASN 11 HD22 ASN 11 7.868 20.839 8.176 79 H TYR 12 H TYR 12 3.631 21.221 8.470 80 HA TYR 12 HA TYR 12 3.627 23.838 7.204 81 HB2 TYR 12 HB2 TYR 12 3.493 22.897 10.083 82 HB3 TYR 12 HB3 TYR 12 3.521 24.619 9.645 83 HD1 TYR 12 HD2 TYR 12 1.719 25.300 7.820 84 HD2 TYR 12 HD1 TYR 12 1.438 21.878 10.334 85 HE1 TYR 12 HE2 TYR 12 -0.717 25.260 7.482 86 HE2 TYR 12 HE1 TYR 12 -0.999 21.828 10.002 87 HH TYR 12 HH TYR 12 -2.575 23.045 7.701 88 H THR 13 H THR 13 5.372 24.903 6.598 89 HA THR 13 HA THR 13 7.836 24.577 8.268 90 HB THR 13 HB THR 13 9.183 24.959 6.260 91 HG1 THR 13 HG1 THR 13 8.263 25.819 4.560 92 HG21 THR 13 HG21 THR 13 7.179 22.803 5.567 93 HG22 THR 13 HG22 THR 13 8.312 22.637 6.932 94 HG23 THR 13 HG23 THR 13 8.934 22.829 5.275 95 H GLU 14 H GLU 14 9.384 26.441 8.042 96 HA GLU 14 HA GLU 14 7.798 28.940 8.286 97 HB2 GLU 14 HB2 GLU 14 9.997 27.828 9.703 98 HB3 GLU 14 HB3 GLU 14 10.604 29.278 8.880 99 HG2 GLU 14 HG2 GLU 14 8.657 30.534 9.860 100 HG3 GLU 14 HG3 GLU 14 8.303 29.085 10.830 101 H LEU 15 H LEU 15 8.218 30.804 7.139 102 HA LEU 15 HA LEU 15 9.977 30.403 4.754 103 HB2 LEU 15 HB2 LEU 15 7.352 31.809 5.154 104 HB3 LEU 15 HB3 LEU 15 8.461 32.357 3.876 105 HG LEU 15 HG LEU 15 7.586 29.477 4.046 106 HD11 LEU 15 HD11 LEU 15 5.506 30.624 4.013 107 HD12 LEU 15 HD12 LEU 15 5.836 30.119 2.340 108 HD13 LEU 15 HD13 LEU 15 6.098 31.810 2.827 109 HD21 LEU 15 HD21 LEU 15 9.388 29.803 2.552 110 HD22 LEU 15 HD22 LEU 15 8.688 31.307 1.908 111 HD23 LEU 15 HD23 LEU 15 7.928 29.741 1.534 112 HA PRO 16 HA PRO 16 12.460 33.845 5.895 113 HB2 PRO 16 HB2 PRO 16 12.950 35.016 3.481 114 HB3 PRO 16 HB3 PRO 16 13.678 33.464 3.975 115 HG2 PRO 16 HG2 PRO 16 11.294 33.984 2.209 116 HG3 PRO 16 HG3 PRO 16 12.631 32.815 1.993 117 HD2 PRO 16 HD2 PRO 16 10.186 32.093 2.946 118 HD3 PRO 16 HD3 PRO 16 11.703 31.287 3.459 119 H ASN 17 H ASN 17 9.478 34.362 4.157 120 HA ASN 17 HA ASN 17 9.557 37.270 4.416 121 HB2 ASN 17 HB2 ASN 17 7.293 37.203 3.512 122 HB3 ASN 17 HB3 ASN 17 8.339 36.115 2.574 123 HD21 ASN 17 HD21 ASN 17 5.716 35.783 2.305 124 HD22 ASN 17 HD22 ASN 17 5.170 34.308 3.177 125 H GLY 18 H GLY 18 9.107 34.780 6.588 126 HA2 GLY 18 HA2 GLY 18 8.731 35.362 8.920 127 HA3 GLY 18 HA3 GLY 18 7.614 36.636 8.397 128 H GLU 19 H GLU 19 6.433 34.729 6.367 129 HA GLU 19 HA GLU 19 4.430 33.632 8.205 130 HB2 GLU 19 HB2 GLU 19 4.540 33.242 5.203 131 HB3 GLU 19 HB3 GLU 19 3.121 33.194 6.265 132 HG2 GLU 19 HG2 GLU 19 3.905 35.705 6.748 133 HG3 GLU 19 HG3 GLU 19 4.575 35.515 5.110 134 H TYR 20 H TYR 20 3.516 31.361 7.194 135 HA TYR 20 HA TYR 20 5.781 29.506 7.697 136 HB2 TYR 20 HB2 TYR 20 2.851 29.462 8.154 137 HB3 TYR 20 HB3 TYR 20 3.554 27.919 7.624 138 HD1 TYR 20 HD2 TYR 20 3.591 30.491 10.272 139 HD2 TYR 20 HD1 TYR 20 4.977 26.652 9.075 140 HE1 TYR 20 HE2 TYR 20 4.342 30.052 12.573 141 HE2 TYR 20 HE1 TYR 20 5.731 26.200 11.372 142 HH TYR 20 HH TYR 20 5.525 28.691 13.902 143 H CYS 21 H CYS 21 2.806 29.338 5.697 144 HA CYS 21 HA CYS 21 4.192 29.079 3.215 145 HB2 CYS 21 HB2 CYS 21 4.051 26.724 2.764 146 HB3 CYS 21 HB3 CYS 21 4.895 26.912 4.315 147 H TYR 22 H TYR 22 2.788 28.723 1.427 148 HA TYR 22 HA TYR 22 0.025 29.498 2.070 149 HB2 TYR 22 HB2 TYR 22 1.653 29.271 -0.465 150 HB3 TYR 22 HB3 TYR 22 -0.113 29.447 -0.537 151 HD1 TYR 22 HD2 TYR 22 -0.701 31.337 1.584 152 HD2 TYR 22 HD1 TYR 22 2.572 31.287 -1.133 153 HE1 TYR 22 HE2 TYR 22 -0.472 33.775 1.823 154 HE2 TYR 22 HE1 TYR 22 2.811 33.722 -0.901 155 HH TYR 22 HH TYR 22 0.509 35.626 1.026 156 H THR 23 H THR 23 -1.583 28.126 2.340 157 HA THR 23 HA THR 23 -1.387 25.352 2.207 158 HB THR 23 HB THR 23 -4.038 25.698 1.613 159 HG1 THR 23 HG1 THR 23 -4.635 27.682 2.692 160 HG21 THR 23 HG21 THR 23 -2.639 26.104 4.277 161 HG22 THR 23 HG22 THR 23 -3.197 24.563 3.584 162 HG23 THR 23 HG23 THR 23 -4.381 25.797 4.079 163 HA PRO 24 HA PRO 24 -1.624 24.031 -1.977 164 HB2 PRO 24 HB2 PRO 24 -3.329 21.906 -1.839 165 HB3 PRO 24 HB3 PRO 24 -1.668 21.864 -1.191 166 HG2 PRO 24 HG2 PRO 24 -4.273 22.306 0.254 167 HG3 PRO 24 HG3 PRO 24 -2.870 21.300 0.729 168 HD2 PRO 24 HD2 PRO 24 -3.322 23.777 1.764 169 HD3 PRO 24 HD3 PRO 24 -1.674 23.116 1.517 170 H ARG 25 H ARG 25 -2.867 24.003 -3.882 171 HA ARG 25 HA ARG 25 -4.575 24.658 -5.267 172 HB2 ARG 25 HB2 ARG 25 -5.933 23.538 -2.933 173 HB3 ARG 25 HB3 ARG 25 -6.900 24.803 -3.715 174 HG2 ARG 25 HG2 ARG 25 -7.518 22.704 -4.667 175 HG3 ARG 25 HG3 ARG 25 -6.582 23.602 -5.888 176 HD2 ARG 25 HD2 ARG 25 -5.255 21.630 -4.030 177 HD3 ARG 25 HD3 ARG 25 -6.067 21.091 -5.520 178 HE ARG 25 HE ARG 25 -3.497 22.401 -5.298 179 HH11 ARG 25 HH11 ARG 25 -6.359 22.032 -7.330 180 HH12 ARG 25 HH12 ARG 25 -5.494 22.399 -8.828 181 HH21 ARG 25 HH21 ARG 25 -2.386 22.872 -7.232 182 HH22 ARG 25 HH22 ARG 25 -3.252 22.871 -8.771 183 H ARG 26 H ARG 26 -3.124 26.519 -3.320 184 HA ARG 26 HA ARG 26 -5.095 28.766 -3.434 185 HB2 ARG 26 HB2 ARG 26 -3.623 27.845 -1.279 186 HB3 ARG 26 HB3 ARG 26 -2.641 29.202 -1.867 187 HG2 ARG 26 HG2 ARG 26 -5.510 29.803 -1.700 188 HG3 ARG 26 HG3 ARG 26 -4.759 29.391 -0.137 189 HD2 ARG 26 HD2 ARG 26 -3.043 31.092 -0.492 190 HD3 ARG 26 HD3 ARG 26 -3.732 31.475 -2.088 191 HE ARG 26 HE ARG 26 -4.626 32.448 0.473 192 HH11 ARG 26 HH11 ARG 26 -5.732 31.435 -2.722 193 HH12 ARG 26 HH12 ARG 26 -7.180 32.447 -2.676 194 HH21 ARG 26 HH21 ARG 26 -6.498 33.752 0.526 195 HH22 ARG 26 HH22 ARG 26 -7.611 33.753 -0.844 196 H ARG 27 H ARG 27 -4.580 30.674 -4.420 197 HA ARG 27 HA ARG 27 -2.707 30.575 -6.558 198 HB2 ARG 27 HB2 ARG 27 -4.622 32.055 -6.641 199 HB3 ARG 27 HB3 ARG 27 -4.066 32.928 -5.198 200 HG2 ARG 27 HG2 ARG 27 -2.099 33.718 -6.449 201 HG3 ARG 27 HG3 ARG 27 -2.691 32.866 -7.897 202 HD2 ARG 27 HD2 ARG 27 -4.637 34.259 -8.011 203 HD3 ARG 27 HD3 ARG 27 -4.282 34.981 -6.422 204 HE ARG 27 HE ARG 27 -2.061 35.485 -8.085 205 HH11 ARG 27 HH11 ARG 27 -5.496 36.278 -7.899 206 HH12 ARG 27 HH12 ARG 27 -5.302 37.838 -8.704 207 HH21 ARG 27 HH21 ARG 27 -1.819 37.499 -9.125 208 HH22 ARG 27 HH22 ARG 27 -3.230 38.528 -9.396 209 H CYS 28 H CYS 28 -0.574 30.619 -6.504 210 HA CYS 28 HA CYS 28 0.718 32.294 -4.388 211 HB2 CYS 28 HB2 CYS 28 2.593 30.619 -4.418 212 HB3 CYS 28 HB3 CYS 28 1.061 29.982 -3.785 213 H THR 29 H THR 29 3.043 32.827 -4.951 214 HA THR 29 HA THR 29 3.186 33.424 -7.881 215 HB THR 29 HB THR 29 2.872 35.487 -6.662 216 HG1 THR 29 HG1 THR 29 5.241 34.884 -7.957 217 HG21 THR 29 HG21 THR 29 4.519 36.215 -4.933 218 HG22 THR 29 HG22 THR 29 5.231 34.584 -4.979 219 HG23 THR 29 HG23 THR 29 3.550 34.806 -4.436 220 H SER 30 H SER 30 4.667 31.940 -5.160 221 HA SER 30 HA SER 30 6.998 31.250 -6.864 222 HB2 SER 30 HB2 SER 30 7.616 31.824 -3.997 223 HB3 SER 30 HB3 SER 30 8.617 32.055 -5.451 224 HG SER 30 HG SER 30 7.938 34.054 -4.508 225 H ALA 31 H ALA 31 7.795 29.219 -6.560 226 HA ALA 31 HA ALA 31 6.077 27.301 -5.337 227 HB1 ALA 31 HB1 ALA 31 7.415 26.520 -7.094 228 HB2 ALA 31 HB2 ALA 31 8.904 27.189 -6.382 229 HB3 ALA 31 HB3 ALA 31 8.122 25.770 -5.642 230 H ASP 32 H ASP 32 8.991 28.965 -4.200 231 HA ASP 32 HA ASP 32 9.580 27.392 -1.948 232 HB2 ASP 32 HB2 ASP 32 10.715 29.554 -2.970 233 HB3 ASP 32 HB3 ASP 32 9.733 30.389 -1.747 234 H GLN 33 H GLN 33 7.076 29.843 -2.423 235 HA GLN 33 HA GLN 33 6.344 29.993 0.371 236 HB2 GLN 33 HB2 GLN 33 4.609 30.632 -2.040 237 HB3 GLN 33 HB3 GLN 33 4.430 31.253 -0.387 238 HG2 GLN 33 HG2 GLN 33 6.936 32.082 -0.902 239 HG3 GLN 33 HG3 GLN 33 6.277 32.075 -2.553 240 HE21 GLN 33 HE21 GLN 33 4.890 33.623 -3.189 241 HE22 GLN 33 HE22 GLN 33 4.342 34.966 -2.125 242 H CYS 34 H CYS 34 5.162 28.149 -2.438 243 HA CYS 34 HA CYS 34 2.860 27.021 -1.318 244 HB2 CYS 34 HB2 CYS 34 3.377 26.654 -3.634 245 HB3 CYS 34 HB3 CYS 34 4.903 25.843 -3.230 246 H CYS 35 H CYS 35 2.427 25.678 0.295 247 HA CYS 35 HA CYS 35 4.327 24.848 2.168 248 HB2 CYS 35 HB2 CYS 35 1.654 23.587 1.454 249 HB3 CYS 35 HB3 CYS 35 2.589 23.185 2.909 250 H ARG 36 H ARG 36 5.630 23.121 2.491 251 HA ARG 36 HA ARG 36 6.244 21.504 0.140 252 HB2 ARG 36 HB2 ARG 36 7.386 21.865 2.891 253 HB3 ARG 36 HB3 ARG 36 7.794 20.386 1.998 254 HG2 ARG 36 HG2 ARG 36 9.522 21.743 1.360 255 HG3 ARG 36 HG3 ARG 36 8.349 22.099 0.066 256 HD2 ARG 36 HD2 ARG 36 9.083 24.212 0.735 257 HD3 ARG 36 HD3 ARG 36 7.548 24.007 1.613 258 HE ARG 36 HE ARG 36 8.704 24.085 3.606 259 HH11 ARG 36 HH11 ARG 36 10.927 23.381 0.956 260 HH12 ARG 36 HH12 ARG 36 12.368 23.502 1.971 261 HH21 ARG 36 HH21 ARG 36 10.567 24.241 4.910 262 HH22 ARG 36 HH22 ARG 36 12.165 23.986 4.202 263 HA PRO 37 HA PRO 37 3.941 17.861 0.988 264 HB2 PRO 37 HB2 PRO 37 5.702 15.895 0.298 265 HB3 PRO 37 HB3 PRO 37 4.897 16.945 -0.897 266 HG2 PRO 37 HG2 PRO 37 7.670 17.138 0.259 267 HG3 PRO 37 HG3 PRO 37 7.132 17.350 -1.436 268 HD2 PRO 37 HD2 PRO 37 7.657 19.450 0.214 269 HD3 PRO 37 HD3 PRO 37 6.406 19.514 -1.068 270 H TYR 38 H TYR 38 3.515 16.357 2.555 271 HA TYR 38 HA TYR 38 4.756 16.616 5.061 272 HB2 TYR 38 HB2 TYR 38 2.545 15.660 4.860 273 HB3 TYR 38 HB3 TYR 38 3.165 14.306 3.890 274 HD1 TYR 38 HD1 TYR 38 4.557 15.748 7.038 275 HD2 TYR 38 HD2 TYR 38 2.657 12.426 5.178 276 HE1 TYR 38 HE1 TYR 38 4.871 14.428 9.088 277 HE2 TYR 38 HE2 TYR 38 2.965 11.096 7.224 278 HH TYR 38 HH TYR 38 3.736 11.045 9.296 279 H ASP 39 H ASP 39 5.602 14.603 2.320 280 HA ASP 39 HA ASP 39 7.968 13.656 3.878 281 HB2 ASP 39 HB2 ASP 39 6.023 11.923 3.450 282 HB3 ASP 39 HB3 ASP 39 6.702 11.869 1.806 283 H THR 40 H THR 40 9.338 15.136 2.944 284 HA THR 40 HA THR 40 9.411 15.800 0.190 285 HB THR 40 HB THR 40 11.940 16.264 0.747 286 HG1 THR 40 HG1 THR 40 12.230 16.484 3.055 287 HG21 THR 40 HG21 THR 40 10.185 17.871 2.530 288 HG22 THR 40 HG22 THR 40 9.701 17.774 0.820 289 HG23 THR 40 HG23 THR 40 11.314 18.393 1.256 290 H THR 41 H THR 41 10.436 12.950 1.858 291 HA THR 41 HA THR 41 12.322 12.130 -0.233 292 HB THR 41 HB THR 41 12.639 10.120 1.034 293 HG1 THR 41 HG1 THR 41 10.081 10.749 1.993 294 HG21 THR 41 HG21 THR 41 13.418 10.979 3.090 295 HG22 THR 41 HG22 THR 41 12.139 12.216 3.156 296 HG23 THR 41 HG23 THR 41 13.463 12.367 1.975 297 H ALA 42 H ALA 42 8.973 12.191 0.087 298 HA ALA 42 HA ALA 42 8.735 10.192 -2.105 299 HB1 ALA 42 HB1 ALA 42 6.601 9.366 -1.021 300 HB2 ALA 42 HB2 ALA 42 8.115 8.893 -0.213 301 HB3 ALA 42 HB3 ALA 42 7.123 10.210 0.458 302 H ALA 43 H ALA 43 8.716 13.171 -1.868 303 HA ALA 43 HA ALA 43 6.594 13.679 -3.695 304 HB1 ALA 43 HB1 ALA 43 4.961 13.524 -2.048 305 HB2 ALA 43 HB2 ALA 43 5.998 14.263 -0.804 306 HB3 ALA 43 HB3 ALA 43 5.303 15.269 -2.097 307 H PHE 44 H PHE 44 6.274 16.075 -4.072 308 HA PHE 44 HA PHE 44 8.568 17.688 -3.101 309 HB2 PHE 44 HB2 PHE 44 9.030 18.439 -5.462 310 HB3 PHE 44 HB3 PHE 44 9.454 16.745 -5.137 311 HD1 PHE 44 HD2 PHE 44 8.038 14.933 -6.023 312 HD2 PHE 44 HD1 PHE 44 7.347 19.009 -7.035 313 HE1 PHE 44 HE2 PHE 44 6.656 14.222 -7.930 314 HE2 PHE 44 HE1 PHE 44 5.963 18.304 -8.943 315 HZ PHE 44 HZ PHE 44 5.616 15.908 -9.393 316 H HIS 45 H HIS 45 8.372 19.998 -3.721 317 HA HIS 45 HA HIS 45 5.474 20.736 -3.823 318 HB2 HIS 45 HB2 HIS 45 5.945 22.617 -2.469 319 HB3 HIS 45 HB3 HIS 45 6.888 21.295 -1.742 320 HD2 HIS 45 HD2 HIS 45 7.479 24.626 -3.720 321 HE1 HIS 45 HE1 HIS 45 11.207 23.226 -2.258 322 HE2 HIS 45 HE2 HIS 45 10.013 25.152 -3.416 323 H GLY 46 H GLY 46 5.100 23.014 -4.697 324 HA2 GLY 46 HA2 GLY 46 6.794 24.400 -6.387 325 HA3 GLY 46 HA3 GLY 46 6.222 23.054 -7.392 326 H CYS 47 H CYS 47 5.761 25.795 -7.944 327 HA CYS 47 HA CYS 47 2.830 26.004 -7.391 328 HB2 CYS 47 HB2 CYS 47 5.012 28.034 -7.756 329 HB3 CYS 47 HB3 CYS 47 3.367 28.457 -8.280 330 H GLY 48 H GLY 48 1.488 25.595 -9.005 331 HA2 GLY 48 HA2 GLY 48 1.801 26.613 -11.638 332 HA3 GLY 48 HA3 GLY 48 2.421 24.950 -11.628 333 H ARG 49 H ARG 49 0.782 24.303 -13.075 334 HA ARG 49 HA ARG 49 -1.852 23.967 -11.702 335 HB2 ARG 49 HB2 ARG 49 -1.569 24.355 -14.693 336 HB3 ARG 49 HB3 ARG 49 -3.044 24.411 -13.710 337 HG2 ARG 49 HG2 ARG 49 -2.832 26.611 -13.548 338 HG3 ARG 49 HG3 ARG 49 -1.286 26.391 -12.694 339 HD2 ARG 49 HD2 ARG 49 -0.053 26.457 -14.740 340 HD3 ARG 49 HD3 ARG 49 -1.542 26.365 -15.710 341 HE ARG 49 HE ARG 49 -1.886 28.643 -15.406 342 HH11 ARG 49 HH11 ARG 49 0.666 27.460 -13.273 343 HH12 ARG 49 HH12 ARG 49 1.179 29.081 -12.788 344 HH21 ARG 49 HH21 ARG 49 -1.219 30.731 -14.776 345 HH22 ARG 49 HH22 ARG 49 0.116 30.924 -13.635 346 H ILE 50 H ILE 50 -2.298 21.904 -11.381 347 HA ILE 50 HA ILE 50 -1.023 19.910 -13.199 348 HB ILE 50 HB ILE 50 -1.330 18.269 -11.447 349 HG12 ILE 50 HG12 ILE 50 -2.680 20.512 -9.888 350 HG13 ILE 50 HG13 ILE 50 -3.483 19.079 -10.566 351 HG21 ILE 50 HG21 ILE 50 0.377 20.457 -11.317 352 HG22 ILE 50 HG22 ILE 50 -0.296 20.342 -9.674 353 HG23 ILE 50 HG23 ILE 50 0.527 18.939 -10.398 354 HD11 ILE 50 HD11 ILE 50 -3.208 18.634 -8.277 355 HD12 ILE 50 HD12 ILE 50 -1.930 17.701 -9.093 356 HD13 ILE 50 HD13 ILE 50 -1.530 19.230 -8.275 357 H TRP 51 H TRP 51 -4.016 21.325 -12.278 358 HA TRP 51 HA TRP 51 -5.484 19.082 -13.604 359 HB2 TRP 51 HB2 TRP 51 -6.399 21.150 -11.575 360 HB3 TRP 51 HB3 TRP 51 -7.514 20.083 -12.457 361 HD1 TRP 51 HD1 TRP 51 -5.736 20.258 -9.281 362 HE1 TRP 51 HE1 TRP 51 -5.579 17.941 -8.120 363 HE3 TRP 51 HE3 TRP 51 -7.025 17.333 -13.271 364 HZ2 TRP 51 HZ2 TRP 51 -5.969 15.242 -8.870 365 HZ3 TRP 51 HZ3 TRP 51 -7.111 14.893 -12.966 366 HH2 TRP 51 HH2 TRP 51 -6.591 13.869 -10.810 367 HA PRO 52 HA PRO 52 -6.617 21.690 -16.956 368 HB2 PRO 52 HB2 PRO 52 -9.137 20.800 -17.501 369 HB3 PRO 52 HB3 PRO 52 -7.669 19.855 -17.869 370 HG2 PRO 52 HG2 PRO 52 -9.563 19.623 -15.538 371 HG3 PRO 52 HG3 PRO 52 -8.817 18.330 -16.525 372 HD2 PRO 52 HD2 PRO 52 -7.872 19.037 -14.071 373 HD3 PRO 52 HD3 PRO 52 -6.808 18.443 -15.385 374 H LYS 53 H LYS 53 -8.874 21.445 -14.230 375 HA LYS 53 HA LYS 53 -10.594 23.584 -14.918 376 HB2 LYS 53 HB2 LYS 53 -9.762 22.271 -12.347 377 HB3 LYS 53 HB3 LYS 53 -10.698 23.778 -12.272 378 HG2 LYS 53 HG2 LYS 53 -12.268 22.516 -13.969 379 HG3 LYS 53 HG3 LYS 53 -11.496 21.071 -13.268 380 HD2 LYS 53 HD2 LYS 53 -13.492 21.511 -12.018 381 HD3 LYS 53 HD3 LYS 53 -12.104 21.955 -10.994 382 HE2 LYS 53 HE2 LYS 53 -12.446 24.272 -11.365 383 HE3 LYS 53 HE3 LYS 53 -13.577 23.966 -12.704 384 HZ1 LYS 53 HZ1 LYS 53 -15.245 23.942 -11.266 385 HZ2 LYS 53 HZ2 LYS 53 -14.181 24.320 -10.008 386 HZ3 LYS 53 HZ3 LYS 53 -14.526 22.703 -10.365 387 H ASP 54 H ASP 54 -7.401 23.554 -13.399 388 HA ASP 54 HA ASP 54 -7.466 26.349 -12.648 389 HB2 ASP 54 HB2 ASP 54 -5.857 24.221 -12.023 390 HB3 ASP 54 HB3 ASP 54 -4.822 25.109 -13.163 391 H LYS 55 H LYS 55 -6.509 24.536 -15.512 392 HA LYS 55 HA LYS 55 -4.975 26.556 -16.790 393 HB2 LYS 55 HB2 LYS 55 -6.084 23.993 -17.444 394 HB3 LYS 55 HB3 LYS 55 -6.486 25.120 -18.755 395 HG2 LYS 55 HG2 LYS 55 -4.455 24.264 -19.443 396 HG3 LYS 55 HG3 LYS 55 -3.970 25.774 -18.630 397 HD2 LYS 55 HD2 LYS 55 -3.738 24.266 -16.519 398 HD3 LYS 55 HD3 LYS 55 -3.700 22.924 -17.691 399 HE2 LYS 55 HE2 LYS 55 -1.816 25.293 -17.524 400 HE3 LYS 55 HE3 LYS 55 -1.436 23.583 -17.210 401 HZ1 LYS 55 HZ1 LYS 55 -0.651 24.094 -19.367 402 HZ2 LYS 55 HZ2 LYS 55 -2.100 24.843 -19.819 403 HZ3 LYS 55 HZ3 LYS 55 -2.049 23.167 -19.590 404 H ARG 56 H ARG 56 -8.463 26.034 -16.554 405 HA ARG 56 HA ARG 56 -9.266 27.832 -18.604 406 HB2 ARG 56 HB2 ARG 56 -10.716 27.275 -15.993 407 HB3 ARG 56 HB3 ARG 56 -11.432 27.850 -17.513 408 HG2 ARG 56 HG2 ARG 56 -10.152 25.504 -18.248 409 HG3 ARG 56 HG3 ARG 56 -10.810 25.140 -16.633 410 HD2 ARG 56 HD2 ARG 56 -12.509 26.491 -18.720 411 HD3 ARG 56 HD3 ARG 56 -12.283 24.726 -18.738 412 HE ARG 56 HE ARG 56 -13.018 25.499 -16.110 413 HH11 ARG 56 HH11 ARG 56 -14.348 25.373 -19.378 414 HH12 ARG 56 HH12 ARG 56 -16.010 25.158 -18.823 415 HH21 ARG 56 HH21 ARG 56 -15.167 25.222 -15.400 416 HH22 ARG 56 HH22 ARG 56 -16.474 25.074 -16.581 417 H GLU 57 H GLU 57 -7.943 28.379 -15.444 418 HA GLU 57 HA GLU 57 -8.710 31.260 -15.624 419 HB2 GLU 57 HB2 GLU 57 -7.779 29.568 -13.278 420 HB3 GLU 57 HB3 GLU 57 -7.993 31.327 -13.204 421 HG2 GLU 57 HG2 GLU 57 -10.380 31.006 -13.847 422 HG3 GLU 57 HG3 GLU 57 -10.126 29.249 -13.734 423 H LYS 58 H LYS 58 -6.094 29.004 -15.799 424 HA LYS 58 HA LYS 58 -3.837 29.277 -16.123 425 HB2 LYS 58 HB2 LYS 58 -4.802 31.972 -17.141 426 HB3 LYS 58 HB3 LYS 58 -3.131 31.398 -17.309 427 HG2 LYS 58 HG2 LYS 58 -5.606 30.094 -18.469 428 HG3 LYS 58 HG3 LYS 58 -4.379 31.027 -19.359 429 HD2 LYS 58 HD2 LYS 58 -2.847 29.151 -18.065 430 HD3 LYS 58 HD3 LYS 58 -4.334 28.238 -18.419 431 HE2 LYS 58 HE2 LYS 58 -4.024 28.340 -20.677 432 HE3 LYS 58 HE3 LYS 58 -3.214 29.923 -20.605 433 HZ1 LYS 58 HZ1 LYS 58 -1.992 27.508 -20.959 434 HZ2 LYS 58 HZ2 LYS 58 -1.699 27.848 -19.328 435 HZ3 LYS 58 HZ3 LYS 58 -1.227 28.952 -20.520 436 H VAL 59 H VAL 59 -4.501 29.550 -13.525 437 HA VAL 59 HA VAL 59 -2.780 31.838 -12.645 438 HB VAL 59 HB VAL 59 -5.074 32.211 -11.916 439 HG11 VAL 59 HG11 VAL 59 -4.926 29.593 -10.403 440 HG12 VAL 59 HG12 VAL 59 -6.328 30.672 -10.600 441 HG13 VAL 59 HG13 VAL 59 -5.701 29.760 -11.995 442 HG21 VAL 59 HG21 VAL 59 -4.045 31.346 -9.317 443 HG22 VAL 59 HG22 VAL 59 -2.830 32.204 -10.292 444 HG23 VAL 59 HG23 VAL 59 -4.389 32.983 -9.927 445 H ASP 60 H ASP 60 -1.137 31.436 -11.258 446 HA ASP 60 HA ASP 60 -0.300 28.672 -10.985 447 HB2 ASP 60 HB2 ASP 60 0.941 30.922 -9.414 448 HB3 ASP 60 HB3 ASP 60 1.717 29.524 -10.192 449 H ARG 61 H ARG 61 -0.936 27.275 -9.506 450 HA ARG 61 HA ARG 61 -1.701 28.358 -6.825 451 HB2 ARG 61 HB2 ARG 61 -3.002 26.023 -8.273 452 HB3 ARG 61 HB3 ARG 61 -3.444 26.646 -6.671 453 HG2 ARG 61 HG2 ARG 61 -3.491 28.666 -8.808 454 HG3 ARG 61 HG3 ARG 61 -4.650 27.332 -9.027 455 HD2 ARG 61 HD2 ARG 61 -4.419 28.622 -6.334 456 HD3 ARG 61 HD3 ARG 61 -5.274 29.493 -7.629 457 HE ARG 61 HE ARG 61 -6.152 27.084 -6.214 458 HH11 ARG 61 HH11 ARG 61 -6.467 29.104 -9.093 459 HH12 ARG 61 HH12 ARG 61 -8.094 28.529 -9.468 460 HH21 ARG 61 HH21 ARG 61 -8.255 26.348 -6.703 461 HH22 ARG 61 HH22 ARG 61 -9.104 26.977 -8.120 462 H CYS 62 H CYS 62 -1.091 27.194 -5.030 463 HA CYS 62 HA CYS 62 1.274 25.621 -5.282 464 HB2 CYS 62 HB2 CYS 62 0.881 26.822 -3.245 465 HB3 CYS 62 HB3 CYS 62 -0.683 26.017 -2.995 466 H TYR 63 H TYR 63 1.641 23.517 -5.563 467 HA TYR 63 HA TYR 63 -0.635 21.636 -5.145 468 HB2 TYR 63 HB2 TYR 63 -0.305 20.564 -7.251 469 HB3 TYR 63 HB3 TYR 63 -0.397 22.306 -7.588 470 HD1 TYR 63 HD1 TYR 63 1.605 23.543 -8.259 471 HD2 TYR 63 HD2 TYR 63 1.749 19.343 -7.589 472 HE1 TYR 63 HE1 TYR 63 3.763 23.435 -9.435 473 HE2 TYR 63 HE2 TYR 63 3.906 19.225 -8.761 474 HH TYR 63 HH TYR 63 5.491 20.333 -9.835 475 H ILE 64 H ILE 64 -0.001 19.403 -4.901 476 HA ILE 64 HA ILE 64 2.884 18.964 -4.374 477 HB ILE 64 HB ILE 64 0.716 18.446 -2.308 478 HG12 ILE 64 HG12 ILE 64 3.154 20.269 -2.218 479 HG13 ILE 64 HG13 ILE 64 1.483 20.813 -2.484 480 HG21 ILE 64 HG21 ILE 64 3.294 17.205 -2.755 481 HG22 ILE 64 HG22 ILE 64 3.254 18.040 -1.184 482 HG23 ILE 64 HG23 ILE 64 2.031 16.806 -1.566 483 HD11 ILE 64 HD11 ILE 64 1.646 19.189 -0.105 484 HD12 ILE 64 HD12 ILE 64 2.826 20.519 -0.043 485 HD13 ILE 64 HD13 ILE 64 1.101 20.871 -0.301 486 H CYS 65 H CYS 65 3.518 17.098 -5.204 487 HA CYS 65 HA CYS 65 1.485 14.918 -5.428 488 HB2 CYS 65 HB2 CYS 65 3.550 15.724 -7.512 489 HB3 CYS 65 HB3 CYS 65 2.496 14.297 -7.610 490 H ASN 66 H ASN 66 2.347 12.756 -5.516 491 HA ASN 66 HA ASN 66 4.521 12.423 -3.636 492 HB2 ASN 66 HB2 ASN 66 4.160 10.011 -3.990 493 HB3 ASN 66 HB3 ASN 66 2.620 10.860 -3.733 494 HD21 ASN 66 HD21 ASN 66 2.609 8.383 -4.825 495 HD22 ASN 66 HD22 ASN 66 2.180 8.492 -6.568 496 H ASN 67 H ASN 67 6.387 10.951 -4.052 497 HA ASN 67 HA ASN 67 8.022 12.023 -6.103 498 HB2 ASN 67 HB2 ASN 67 8.190 9.793 -4.147 499 HB3 ASN 67 HB3 ASN 67 9.232 9.629 -5.577 500 HD21 ASN 67 HD21 ASN 67 10.937 9.761 -3.952 501 HD22 ASN 67 HD22 ASN 67 11.496 11.394 -3.447 502 H GLU 68 H GLU 68 5.731 9.389 -6.112 503 HA GLU 68 HA GLU 68 6.781 8.204 -8.572 504 HB2 GLU 68 HB2 GLU 68 4.032 7.761 -7.373 505 HB3 GLU 68 HB3 GLU 68 4.964 6.669 -8.415 506 HG2 GLU 68 HG2 GLU 68 6.673 6.567 -6.530 507 HG3 GLU 68 HG3 GLU 68 5.445 7.360 -5.517 508 H LYS 69 H LYS 69 4.983 10.953 -7.831 509 HA LYS 69 HA LYS 69 3.690 12.382 -9.083 510 HB2 LYS 69 HB2 LYS 69 5.360 11.035 -11.220 511 HB3 LYS 69 HB3 LYS 69 4.189 12.305 -11.623 512 HG2 LYS 69 HG2 LYS 69 5.356 13.860 -10.125 513 HG3 LYS 69 HG3 LYS 69 6.534 12.585 -9.726 514 HD2 LYS 69 HD2 LYS 69 7.250 12.485 -12.056 515 HD3 LYS 69 HD3 LYS 69 6.027 13.698 -12.504 516 HE2 LYS 69 HE2 LYS 69 7.128 15.331 -11.017 517 HE3 LYS 69 HE3 LYS 69 8.364 14.117 -10.613 518 HZ1 LYS 69 HZ1 LYS 69 8.953 14.051 -12.992 519 HZ2 LYS 69 HZ2 LYS 69 9.188 15.582 -12.312 520 HZ3 LYS 69 HZ3 LYS 69 7.845 15.294 -13.300 521 H THR 70 H THR 70 2.580 9.764 -8.404 522 HA THR 70 HA THR 70 0.800 9.278 -10.745 523 HB THR 70 HB THR 70 0.158 7.197 -9.671 524 HG1 THR 70 HG1 THR 70 1.152 6.622 -7.636 525 HG21 THR 70 HG21 THR 70 2.283 7.278 -10.985 526 HG22 THR 70 HG22 THR 70 2.269 6.013 -9.731 527 HG23 THR 70 HG23 THR 70 3.169 7.524 -9.461 528 H LEU 71 H LEU 71 0.842 10.252 -7.347 529 HA LEU 71 HA LEU 71 -2.086 10.827 -7.586 530 HB2 LEU 71 HB2 LEU 71 -1.156 9.094 -5.858 531 HB3 LEU 71 HB3 LEU 71 -0.667 10.544 -4.951 532 HG LEU 71 HG LEU 71 -3.250 11.157 -5.385 533 HD11 LEU 71 HD11 LEU 71 -4.601 9.449 -5.872 534 HD12 LEU 71 HD12 LEU 71 -3.791 8.375 -4.708 535 HD13 LEU 71 HD13 LEU 71 -3.137 8.555 -6.353 536 HD21 LEU 71 HD21 LEU 71 -2.401 11.248 -3.208 537 HD22 LEU 71 HD22 LEU 71 -1.940 9.529 -3.211 538 HD23 LEU 71 HD23 LEU 71 -3.658 9.992 -3.119 539 H CYS 72 H CYS 72 -2.852 12.815 -6.993 540 HA CYS 72 HA CYS 72 -0.934 14.766 -5.864 541 HB2 CYS 72 HB2 CYS 72 -2.406 15.208 -8.491 542 HB3 CYS 72 HB3 CYS 72 -1.468 16.437 -7.617 543 H THR 73 H THR 73 -1.956 16.749 -5.127 544 HA THR 73 HA THR 73 -4.254 16.298 -3.601 545 HB THR 73 HB THR 73 -4.442 18.981 -3.928 546 HG1 THR 73 HG1 THR 73 -2.268 19.750 -4.303 547 HG21 THR 73 HG21 THR 73 -3.190 19.184 -1.953 548 HG22 THR 73 HG22 THR 73 -2.109 17.839 -2.389 549 HG23 THR 73 HG23 THR 73 -3.789 17.509 -1.902 550 H SER 74 H SER 74 -6.393 16.321 -3.910 551 HA SER 74 HA SER 74 -7.507 16.156 -6.483 552 HB2 SER 74 HB2 SER 74 -8.564 15.420 -4.304 553 HB3 SER 74 HB3 SER 74 -8.979 17.125 -4.003 554 HG SER 74 HG SER 74 -10.701 15.949 -5.004 555 H VAL 75 H VAL 75 -8.757 17.536 -7.767 556 HA VAL 75 HA VAL 75 -7.756 20.170 -8.044 557 HB VAL 75 HB VAL 75 -8.839 18.975 -9.884 558 HG11 VAL 75 HG11 VAL 75 -11.602 19.489 -9.273 559 HG12 VAL 75 HG12 VAL 75 -10.800 17.946 -9.656 560 HG13 VAL 75 HG13 VAL 75 -10.876 18.517 -7.973 561 HG21 VAL 75 HG21 VAL 75 -9.785 20.833 -10.895 562 HG22 VAL 75 HG22 VAL 75 -10.593 21.368 -9.402 563 HG23 VAL 75 HG23 VAL 75 -8.835 21.576 -9.585 564 H MET 76 H MET 76 -10.297 18.880 -6.036 565 HA MET 76 HA MET 76 -10.562 21.466 -4.706 566 HB2 MET 76 HB2 MET 76 -13.120 21.410 -4.978 567 HB3 MET 76 HB3 MET 76 -12.161 21.988 -6.357 568 HG2 MET 76 HG2 MET 76 -12.561 20.075 -7.607 569 HG3 MET 76 HG3 MET 76 -12.976 19.105 -6.177 570 HE1 MET 76 HE1 MET 76 -14.872 18.590 -5.399 571 HE2 MET 76 HE2 MET 76 -15.819 19.975 -4.803 572 HE3 MET 76 HE3 MET 76 -16.479 18.931 -6.085 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 2.996 0.133 0.963 2 H2 GLY 1 H2 GLY 1 3.351 1.608 0.201 3 H3 GLY 1 H3 GLY 1 1.745 1.220 0.597 4 HA2 GLY 1 HA2 GLY 1 3.447 -0.204 -1.340 5 HA3 GLY 1 HA3 GLY 1 1.770 -0.607 -0.926 6 H THR 2 H THR 2 0.114 0.426 -1.901 7 HA THR 2 HA THR 2 0.745 1.974 -4.262 8 HB THR 2 HB THR 2 -1.892 2.356 -4.094 9 HG1 THR 2 HG1 THR 2 -2.826 0.544 -2.953 10 HG21 THR 2 HG21 THR 2 -0.367 0.807 -5.601 11 HG22 THR 2 HG22 THR 2 -2.133 0.576 -5.543 12 HG23 THR 2 HG23 THR 2 -1.063 -0.483 -4.592 13 HA PRO 3 HA PRO 3 0.576 6.121 -2.813 14 HB2 PRO 3 HB2 PRO 3 -0.769 7.376 -4.827 15 HB3 PRO 3 HB3 PRO 3 0.905 6.783 -4.997 16 HG2 PRO 3 HG2 PRO 3 -1.674 5.517 -5.902 17 HG3 PRO 3 HG3 PRO 3 -0.113 5.652 -6.767 18 HD2 PRO 3 HD2 PRO 3 -0.901 3.375 -5.500 19 HD3 PRO 3 HD3 PRO 3 0.817 3.867 -5.626 20 H SER 4 H SER 4 -0.690 7.642 -1.765 21 HA SER 4 HA SER 4 -3.625 7.336 -1.872 22 HB2 SER 4 HB2 SER 4 -2.146 7.124 0.778 23 HB3 SER 4 HB3 SER 4 -3.899 6.983 0.504 24 HG SER 4 HG SER 4 -2.861 4.928 0.727 25 H ALA 5 H ALA 5 -4.685 8.986 -0.353 26 HA ALA 5 HA ALA 5 -3.840 11.567 -1.117 27 HB1 ALA 5 HB1 ALA 5 -5.588 12.388 0.185 28 HB2 ALA 5 HB2 ALA 5 -6.113 10.731 -0.190 29 HB3 ALA 5 HB3 ALA 5 -5.418 11.106 1.405 30 H ASP 6 H ASP 6 -2.800 9.534 1.510 31 HA ASP 6 HA ASP 6 -1.760 11.615 3.204 32 HB2 ASP 6 HB2 ASP 6 -2.223 9.210 3.863 33 HB3 ASP 6 HB3 ASP 6 -0.746 8.759 2.983 34 H GLN 7 H GLN 7 -0.615 10.041 0.308 35 HA GLN 7 HA GLN 7 2.174 10.758 0.686 36 HB2 GLN 7 HB2 GLN 7 0.514 9.742 -1.620 37 HB3 GLN 7 HB3 GLN 7 2.173 10.310 -1.892 38 HG2 GLN 7 HG2 GLN 7 1.465 8.200 0.150 39 HG3 GLN 7 HG3 GLN 7 1.879 7.826 -1.539 40 HE21 GLN 7 HE21 GLN 7 3.165 7.296 1.158 41 HE22 GLN 7 HE22 GLN 7 4.864 7.845 0.927 42 H VAL 8 H VAL 8 -0.674 12.303 -0.652 43 HA VAL 8 HA VAL 8 0.982 14.461 -1.832 44 HB VAL 8 HB VAL 8 -1.183 15.361 -2.660 45 HG11 VAL 8 HG11 VAL 8 -1.638 13.527 -4.270 46 HG12 VAL 8 HG12 VAL 8 0.098 13.868 -4.077 47 HG13 VAL 8 HG13 VAL 8 -0.624 12.447 -3.288 48 HG21 VAL 8 HG21 VAL 8 -3.217 14.013 -2.449 49 HG22 VAL 8 HG22 VAL 8 -2.352 12.854 -1.411 50 HG23 VAL 8 HG23 VAL 8 -2.619 14.522 -0.851 51 H ARG 9 H ARG 9 0.657 13.924 1.127 52 HA ARG 9 HA ARG 9 -0.939 16.164 2.099 53 HB2 ARG 9 HB2 ARG 9 0.914 14.145 3.365 54 HB3 ARG 9 HB3 ARG 9 0.331 15.544 4.291 55 HG2 ARG 9 HG2 ARG 9 -1.580 13.717 2.851 56 HG3 ARG 9 HG3 ARG 9 -0.954 13.322 4.470 57 HD2 ARG 9 HD2 ARG 9 -1.699 15.816 4.977 58 HD3 ARG 9 HD3 ARG 9 -2.784 15.526 3.597 59 HE ARG 9 HE ARG 9 -2.917 13.353 5.479 60 HH11 ARG 9 HH11 ARG 9 -3.926 16.694 4.943 61 HH12 ARG 9 HH12 ARG 9 -5.366 16.550 5.957 62 HH21 ARG 9 HH21 ARG 9 -4.777 13.173 6.786 63 HH22 ARG 9 HH22 ARG 9 -5.846 14.566 6.997 64 H TYR 10 H TYR 10 0.359 17.486 3.955 65 HA TYR 10 HA TYR 10 2.934 18.430 2.839 66 HB2 TYR 10 HB2 TYR 10 2.249 20.750 2.750 67 HB3 TYR 10 HB3 TYR 10 1.123 19.791 1.764 68 HD1 TYR 10 HD1 TYR 10 1.522 21.613 4.957 69 HD2 TYR 10 HD2 TYR 10 -1.191 19.648 2.333 70 HE1 TYR 10 HE1 TYR 10 -0.369 22.544 6.224 71 HE2 TYR 10 HE2 TYR 10 -3.089 20.575 3.592 72 HH TYR 10 HH TYR 10 -3.725 22.038 5.166 73 H ASN 11 H ASN 11 4.038 19.977 4.294 74 HA ASN 11 HA ASN 11 3.188 19.536 7.128 75 HB2 ASN 11 HB2 ASN 11 5.092 18.146 6.837 76 HB3 ASN 11 HB3 ASN 11 5.943 19.373 5.872 77 HD21 ASN 11 HD21 ASN 11 7.450 20.488 6.853 78 HD22 ASN 11 HD22 ASN 11 7.572 20.734 8.630 79 H TYR 12 H TYR 12 3.370 21.226 8.546 80 HA TYR 12 HA TYR 12 3.436 23.864 7.338 81 HB2 TYR 12 HB2 TYR 12 3.200 22.887 10.203 82 HB3 TYR 12 HB3 TYR 12 3.204 24.610 9.769 83 HD1 TYR 12 HD2 TYR 12 1.470 25.190 7.799 84 HD2 TYR 12 HD1 TYR 12 1.146 21.883 10.454 85 HE1 TYR 12 HE2 TYR 12 -0.949 25.091 7.372 86 HE2 TYR 12 HE1 TYR 12 -1.274 21.774 10.035 87 HH TYR 12 HH TYR 12 -2.773 22.976 7.558 88 H THR 13 H THR 13 5.101 25.176 7.051 89 HA THR 13 HA THR 13 7.476 24.850 8.817 90 HB THR 13 HB THR 13 9.024 24.983 6.948 91 HG1 THR 13 HG1 THR 13 8.177 24.880 4.773 92 HG21 THR 13 HG21 THR 13 6.997 22.842 6.250 93 HG22 THR 13 HG22 THR 13 8.044 22.749 7.687 94 HG23 THR 13 HG23 THR 13 8.764 22.792 6.059 95 H GLU 14 H GLU 14 9.072 26.690 8.463 96 HA GLU 14 HA GLU 14 7.474 29.189 8.368 97 HB2 GLU 14 HB2 GLU 14 9.624 28.244 9.977 98 HB3 GLU 14 HB3 GLU 14 10.249 29.613 9.037 99 HG2 GLU 14 HG2 GLU 14 8.267 30.943 9.815 100 HG3 GLU 14 HG3 GLU 14 7.866 29.588 10.897 101 H LEU 15 H LEU 15 8.053 30.992 7.137 102 HA LEU 15 HA LEU 15 9.853 30.330 4.838 103 HB2 LEU 15 HB2 LEU 15 7.239 31.801 5.011 104 HB3 LEU 15 HB3 LEU 15 8.402 32.217 3.730 105 HG LEU 15 HG LEU 15 7.351 29.410 4.158 106 HD11 LEU 15 HD11 LEU 15 6.337 31.417 2.135 107 HD12 LEU 15 HD12 LEU 15 5.532 31.101 3.691 108 HD13 LEU 15 HD13 LEU 15 5.699 29.794 2.494 109 HD21 LEU 15 HD21 LEU 15 9.519 29.949 2.856 110 HD22 LEU 15 HD22 LEU 15 8.431 30.625 1.621 111 HD23 LEU 15 HD23 LEU 15 8.297 28.911 2.084 112 HA PRO 16 HA PRO 16 12.354 33.825 5.755 113 HB2 PRO 16 HB2 PRO 16 12.960 34.754 3.264 114 HB3 PRO 16 HB3 PRO 16 13.639 33.246 3.932 115 HG2 PRO 16 HG2 PRO 16 11.337 33.632 2.028 116 HG3 PRO 16 HG3 PRO 16 12.659 32.427 1.977 117 HD2 PRO 16 HD2 PRO 16 10.166 31.835 2.894 118 HD3 PRO 16 HD3 PRO 16 11.646 31.060 3.542 119 H ASN 17 H ASN 17 9.307 34.148 4.286 120 HA ASN 17 HA ASN 17 9.479 37.108 4.186 121 HB2 ASN 17 HB2 ASN 17 6.942 36.653 3.470 122 HB3 ASN 17 HB3 ASN 17 8.287 36.481 2.320 123 HD21 ASN 17 HD21 ASN 17 5.890 34.856 4.260 124 HD22 ASN 17 HD22 ASN 17 6.099 33.235 3.511 125 H GLY 18 H GLY 18 8.983 34.819 6.492 126 HA2 GLY 18 HA2 GLY 18 8.400 35.476 8.735 127 HA3 GLY 18 HA3 GLY 18 7.335 36.734 8.076 128 H GLU 19 H GLU 19 6.249 34.768 6.068 129 HA GLU 19 HA GLU 19 4.119 33.776 7.814 130 HB2 GLU 19 HB2 GLU 19 4.475 33.312 4.834 131 HB3 GLU 19 HB3 GLU 19 2.980 33.172 5.776 132 HG2 GLU 19 HG2 GLU 19 4.526 35.723 5.259 133 HG3 GLU 19 HG3 GLU 19 3.021 35.221 4.453 134 H TYR 20 H TYR 20 3.231 31.476 7.058 135 HA TYR 20 HA TYR 20 5.456 29.627 7.702 136 HB2 TYR 20 HB2 TYR 20 2.497 29.626 8.040 137 HB3 TYR 20 HB3 TYR 20 3.247 28.049 7.712 138 HD1 TYR 20 HD2 TYR 20 3.022 30.845 10.092 139 HD2 TYR 20 HD1 TYR 20 4.700 27.010 9.339 140 HE1 TYR 20 HE2 TYR 20 3.658 30.665 12.461 141 HE2 TYR 20 HE1 TYR 20 5.340 26.818 11.707 142 HH TYR 20 HH TYR 20 4.837 29.509 13.974 143 H CYS 21 H CYS 21 2.527 29.344 5.647 144 HA CYS 21 HA CYS 21 3.960 28.910 3.221 145 HB2 CYS 21 HB2 CYS 21 3.859 26.540 2.931 146 HB3 CYS 21 HB3 CYS 21 4.625 26.821 4.509 147 H TYR 22 H TYR 22 2.602 28.600 1.441 148 HA TYR 22 HA TYR 22 -0.191 29.309 2.003 149 HB2 TYR 22 HB2 TYR 22 1.512 29.086 -0.481 150 HB3 TYR 22 HB3 TYR 22 -0.257 29.201 -0.613 151 HD1 TYR 22 HD2 TYR 22 -0.973 31.107 1.458 152 HD2 TYR 22 HD1 TYR 22 2.383 31.120 -1.157 153 HE1 TYR 22 HE2 TYR 22 -0.830 33.553 1.662 154 HE2 TYR 22 HE1 TYR 22 2.536 33.565 -0.959 155 HH TYR 22 HH TYR 22 0.112 35.421 0.862 156 H THR 23 H THR 23 -1.818 27.941 2.181 157 HA THR 23 HA THR 23 -1.578 25.165 2.152 158 HB THR 23 HB THR 23 -4.184 25.392 1.444 159 HG1 THR 23 HG1 THR 23 -4.912 27.450 2.280 160 HG21 THR 23 HG21 THR 23 -2.673 25.665 3.987 161 HG22 THR 23 HG22 THR 23 -3.958 24.520 3.531 162 HG23 THR 23 HG23 THR 23 -4.378 26.176 4.031 163 HA PRO 24 HA PRO 24 -1.545 23.724 -2.000 164 HB2 PRO 24 HB2 PRO 24 -3.198 21.557 -1.884 165 HB3 PRO 24 HB3 PRO 24 -1.572 21.580 -1.152 166 HG2 PRO 24 HG2 PRO 24 -4.261 21.991 0.141 167 HG3 PRO 24 HG3 PRO 24 -2.859 21.040 0.719 168 HD2 PRO 24 HD2 PRO 24 -3.431 23.532 1.653 169 HD3 PRO 24 HD3 PRO 24 -1.756 22.912 1.514 170 H ARG 25 H ARG 25 -2.656 23.679 -3.964 171 HA ARG 25 HA ARG 25 -4.299 24.259 -5.458 172 HB2 ARG 25 HB2 ARG 25 -6.332 23.962 -3.230 173 HB3 ARG 25 HB3 ARG 25 -6.579 23.762 -4.976 174 HG2 ARG 25 HG2 ARG 25 -5.237 21.737 -4.968 175 HG3 ARG 25 HG3 ARG 25 -4.881 21.954 -3.237 176 HD2 ARG 25 HD2 ARG 25 -7.387 21.877 -2.844 177 HD3 ARG 25 HD3 ARG 25 -7.549 21.356 -4.538 178 HE ARG 25 HE ARG 25 -6.743 19.255 -3.973 179 HH11 ARG 25 HH11 ARG 25 -6.221 21.543 -1.334 180 HH12 ARG 25 HH12 ARG 25 -5.739 20.294 -0.183 181 HH21 ARG 25 HH21 ARG 25 -6.119 17.647 -2.481 182 HH22 ARG 25 HH22 ARG 25 -5.680 18.097 -0.830 183 H ARG 26 H ARG 26 -3.039 26.193 -3.491 184 HA ARG 26 HA ARG 26 -5.120 28.334 -3.673 185 HB2 ARG 26 HB2 ARG 26 -3.680 27.502 -1.469 186 HB3 ARG 26 HB3 ARG 26 -2.724 28.884 -2.041 187 HG2 ARG 26 HG2 ARG 26 -5.590 29.443 -2.004 188 HG3 ARG 26 HG3 ARG 26 -4.953 28.986 -0.404 189 HD2 ARG 26 HD2 ARG 26 -3.518 30.794 -0.307 190 HD3 ARG 26 HD3 ARG 26 -3.443 30.964 -2.078 191 HE ARG 26 HE ARG 26 -6.097 31.507 -1.312 192 HH11 ARG 26 HH11 ARG 26 -2.857 32.816 -0.802 193 HH12 ARG 26 HH12 ARG 26 -3.428 34.477 -0.607 194 HH21 ARG 26 HH21 ARG 26 -6.826 33.654 -1.061 195 HH22 ARG 26 HH22 ARG 26 -5.664 34.949 -0.753 196 H ARG 27 H ARG 27 -4.594 30.359 -4.496 197 HA ARG 27 HA ARG 27 -2.759 30.347 -6.678 198 HB2 ARG 27 HB2 ARG 27 -4.642 31.836 -6.716 199 HB3 ARG 27 HB3 ARG 27 -4.145 32.604 -5.196 200 HG2 ARG 27 HG2 ARG 27 -2.258 33.638 -6.253 201 HG3 ARG 27 HG3 ARG 27 -2.540 32.725 -7.756 202 HD2 ARG 27 HD2 ARG 27 -4.305 34.867 -6.540 203 HD3 ARG 27 HD3 ARG 27 -3.365 34.969 -8.049 204 HE ARG 27 HE ARG 27 -5.071 32.782 -8.370 205 HH11 ARG 27 HH11 ARG 27 -5.370 36.244 -7.741 206 HH12 ARG 27 HH12 ARG 27 -6.927 36.382 -8.563 207 HH21 ARG 27 HH21 ARG 27 -7.082 32.969 -9.429 208 HH22 ARG 27 HH22 ARG 27 -7.894 34.536 -9.514 209 H CYS 28 H CYS 28 -0.644 30.662 -6.808 210 HA CYS 28 HA CYS 28 0.687 32.223 -4.654 211 HB2 CYS 28 HB2 CYS 28 2.491 30.541 -4.496 212 HB3 CYS 28 HB3 CYS 28 0.922 29.871 -4.002 213 H THR 29 H THR 29 3.161 32.395 -5.282 214 HA THR 29 HA THR 29 3.286 32.919 -8.225 215 HB THR 29 HB THR 29 2.993 35.070 -7.165 216 HG1 THR 29 HG1 THR 29 5.031 36.037 -7.774 217 HG21 THR 29 HG21 THR 29 3.747 34.312 -4.883 218 HG22 THR 29 HG22 THR 29 4.377 35.900 -5.385 219 HG23 THR 29 HG23 THR 29 5.426 34.466 -5.457 220 H SER 30 H SER 30 5.013 32.219 -5.204 221 HA SER 30 HA SER 30 7.293 31.236 -6.877 222 HB2 SER 30 HB2 SER 30 7.554 32.038 -3.969 223 HB3 SER 30 HB3 SER 30 8.824 31.891 -5.206 224 HG SER 30 HG SER 30 8.267 34.090 -4.753 225 H ALA 31 H ALA 31 7.861 29.162 -6.714 226 HA ALA 31 HA ALA 31 6.186 27.281 -5.436 227 HB1 ALA 31 HB1 ALA 31 8.233 25.733 -5.743 228 HB2 ALA 31 HB2 ALA 31 7.493 26.460 -7.188 229 HB3 ALA 31 HB3 ALA 31 8.995 27.143 -6.519 230 H ASP 32 H ASP 32 9.083 28.950 -4.292 231 HA ASP 32 HA ASP 32 9.675 27.345 -2.049 232 HB2 ASP 32 HB2 ASP 32 10.854 29.478 -3.067 233 HB3 ASP 32 HB3 ASP 32 9.869 30.346 -1.868 234 H GLN 33 H GLN 33 7.092 29.649 -2.593 235 HA GLN 33 HA GLN 33 6.402 29.899 0.225 236 HB2 GLN 33 HB2 GLN 33 4.887 30.578 -2.321 237 HB3 GLN 33 HB3 GLN 33 4.306 30.952 -0.685 238 HG2 GLN 33 HG2 GLN 33 5.946 32.555 -0.325 239 HG3 GLN 33 HG3 GLN 33 7.011 31.896 -1.588 240 HE21 GLN 33 HE21 GLN 33 7.289 33.751 -2.727 241 HE22 GLN 33 HE22 GLN 33 5.952 34.561 -3.616 242 H CYS 34 H CYS 34 5.245 27.990 -2.550 243 HA CYS 34 HA CYS 34 2.950 26.862 -1.413 244 HB2 CYS 34 HB2 CYS 34 3.498 26.469 -3.727 245 HB3 CYS 34 HB3 CYS 34 5.008 25.647 -3.288 246 H CYS 35 H CYS 35 2.550 25.623 0.280 247 HA CYS 35 HA CYS 35 4.488 24.805 2.123 248 HB2 CYS 35 HB2 CYS 35 1.746 24.726 1.993 249 HB3 CYS 35 HB3 CYS 35 2.150 22.998 1.926 250 H ARG 36 H ARG 36 5.890 23.177 2.325 251 HA ARG 36 HA ARG 36 6.309 21.419 0.059 252 HB2 ARG 36 HB2 ARG 36 7.611 21.897 2.714 253 HB3 ARG 36 HB3 ARG 36 7.935 20.354 1.899 254 HG2 ARG 36 HG2 ARG 36 9.667 21.697 1.157 255 HG3 ARG 36 HG3 ARG 36 8.480 21.834 -0.164 256 HD2 ARG 36 HD2 ARG 36 7.979 24.010 0.326 257 HD3 ARG 36 HD3 ARG 36 8.301 23.807 2.064 258 HE ARG 36 HE ARG 36 10.147 24.724 0.043 259 HH11 ARG 36 HH11 ARG 36 9.890 22.871 3.037 260 HH12 ARG 36 HH12 ARG 36 11.556 23.200 3.526 261 HH21 ARG 36 HH21 ARG 36 12.296 25.142 0.680 262 HH22 ARG 36 HH22 ARG 36 12.912 24.480 2.196 263 HA PRO 37 HA PRO 37 4.031 17.833 1.177 264 HB2 PRO 37 HB2 PRO 37 5.748 15.820 0.514 265 HB3 PRO 37 HB3 PRO 37 4.905 16.817 -0.698 266 HG2 PRO 37 HG2 PRO 37 7.724 17.041 0.336 267 HG3 PRO 37 HG3 PRO 37 7.119 17.175 -1.343 268 HD2 PRO 37 HD2 PRO 37 7.724 19.348 0.179 269 HD3 PRO 37 HD3 PRO 37 6.424 19.362 -1.055 270 H TYR 38 H TYR 38 3.723 16.257 2.753 271 HA TYR 38 HA TYR 38 4.927 16.671 5.245 272 HB2 TYR 38 HB2 TYR 38 2.782 15.370 4.630 273 HB3 TYR 38 HB3 TYR 38 3.852 13.971 4.398 274 HD1 TYR 38 HD2 TYR 38 5.329 13.287 6.385 275 HD2 TYR 38 HD1 TYR 38 2.001 15.911 6.763 276 HE1 TYR 38 HE2 TYR 38 5.236 12.814 8.797 277 HE2 TYR 38 HE1 TYR 38 1.900 15.446 9.176 278 HH TYR 38 HH TYR 38 4.088 13.076 10.689 279 H ASP 39 H ASP 39 5.972 14.678 2.559 280 HA ASP 39 HA ASP 39 8.480 14.127 4.054 281 HB2 ASP 39 HB2 ASP 39 6.571 12.082 2.956 282 HB3 ASP 39 HB3 ASP 39 8.315 11.762 2.843 283 H THR 40 H THR 40 9.754 15.402 2.827 284 HA THR 40 HA THR 40 9.510 15.806 0.041 285 HB THR 40 HB THR 40 12.138 16.214 0.312 286 HG1 THR 40 HG1 THR 40 12.556 16.796 2.536 287 HG21 THR 40 HG21 THR 40 9.881 17.784 0.351 288 HG22 THR 40 HG22 THR 40 11.554 18.392 0.376 289 HG23 THR 40 HG23 THR 40 10.652 18.200 1.900 290 H THR 41 H THR 41 10.874 13.157 1.854 291 HA THR 41 HA THR 41 12.483 12.121 -0.333 292 HB THR 41 HB THR 41 13.022 11.568 1.997 293 HG1 THR 41 HG1 THR 41 12.442 9.599 0.074 294 HG21 THR 41 HG21 THR 41 11.451 10.978 3.470 295 HG22 THR 41 HG22 THR 41 11.072 9.527 2.512 296 HG23 THR 41 HG23 THR 41 10.228 11.057 2.180 297 H ALA 42 H ALA 42 9.141 12.118 0.417 298 HA ALA 42 HA ALA 42 8.727 9.978 -1.632 299 HB1 ALA 42 HB1 ALA 42 6.673 10.399 0.498 300 HB2 ALA 42 HB2 ALA 42 7.108 8.925 -0.401 301 HB3 ALA 42 HB3 ALA 42 8.157 9.507 0.914 302 H ALA 43 H ALA 43 8.809 13.047 -1.574 303 HA ALA 43 HA ALA 43 6.786 13.466 -3.524 304 HB1 ALA 43 HB1 ALA 43 5.350 15.073 -2.140 305 HB2 ALA 43 HB2 ALA 43 5.095 13.328 -1.894 306 HB3 ALA 43 HB3 ALA 43 6.038 14.265 -0.711 307 H PHE 44 H PHE 44 6.416 15.895 -3.919 308 HA PHE 44 HA PHE 44 8.761 17.477 -2.999 309 HB2 PHE 44 HB2 PHE 44 8.997 18.299 -5.417 310 HB3 PHE 44 HB3 PHE 44 9.581 16.656 -5.072 311 HD1 PHE 44 HD2 PHE 44 8.300 14.708 -5.839 312 HD2 PHE 44 HD1 PHE 44 7.150 18.672 -6.871 313 HE1 PHE 44 HE2 PHE 44 6.869 13.821 -7.633 314 HE2 PHE 44 HE1 PHE 44 5.716 17.795 -8.665 315 HZ PHE 44 HZ PHE 44 5.574 15.366 -9.051 316 H HIS 45 H HIS 45 8.538 19.803 -4.078 317 HA HIS 45 HA HIS 45 5.659 20.583 -3.854 318 HB2 HIS 45 HB2 HIS 45 6.202 22.460 -2.496 319 HB3 HIS 45 HB3 HIS 45 7.070 21.085 -1.782 320 HD2 HIS 45 HD2 HIS 45 7.805 24.510 -3.430 321 HE1 HIS 45 HE1 HIS 45 11.520 22.713 -2.453 322 HE2 HIS 45 HE2 HIS 45 10.382 24.846 -3.250 323 H GLY 46 H GLY 46 5.302 22.885 -4.673 324 HA2 GLY 46 HA2 GLY 46 6.982 24.282 -6.364 325 HA3 GLY 46 HA3 GLY 46 6.378 22.965 -7.388 326 H CYS 47 H CYS 47 5.921 25.659 -7.968 327 HA CYS 47 HA CYS 47 3.014 25.924 -7.316 328 HB2 CYS 47 HB2 CYS 47 5.231 27.895 -7.613 329 HB3 CYS 47 HB3 CYS 47 3.655 28.372 -8.281 330 H GLY 48 H GLY 48 1.634 25.525 -8.899 331 HA2 GLY 48 HA2 GLY 48 1.901 26.555 -11.538 332 HA3 GLY 48 HA3 GLY 48 2.491 24.882 -11.546 333 H ARG 49 H ARG 49 0.665 24.704 -13.118 334 HA ARG 49 HA ARG 49 -1.873 24.198 -11.612 335 HB2 ARG 49 HB2 ARG 49 -1.563 24.964 -14.541 336 HB3 ARG 49 HB3 ARG 49 -3.093 24.675 -13.687 337 HG2 ARG 49 HG2 ARG 49 -3.052 26.691 -12.636 338 HG3 ARG 49 HG3 ARG 49 -1.272 26.739 -12.554 339 HD2 ARG 49 HD2 ARG 49 -2.803 27.025 -15.148 340 HD3 ARG 49 HD3 ARG 49 -2.402 28.415 -14.111 341 HE ARG 49 HE ARG 49 -0.114 26.726 -14.791 342 HH11 ARG 49 HH11 ARG 49 -2.148 29.454 -15.733 343 HH12 ARG 49 HH12 ARG 49 -0.900 30.194 -16.744 344 HH21 ARG 49 HH21 ARG 49 1.491 27.684 -16.095 345 HH22 ARG 49 HH22 ARG 49 1.152 29.194 -16.948 346 H ILE 50 H ILE 50 -2.512 22.160 -11.518 347 HA ILE 50 HA ILE 50 -1.493 20.302 -13.631 348 HB ILE 50 HB ILE 50 -1.625 18.505 -11.846 349 HG12 ILE 50 HG12 ILE 50 -1.471 20.810 -9.884 350 HG13 ILE 50 HG13 ILE 50 -3.022 20.064 -10.321 351 HG21 ILE 50 HG21 ILE 50 0.456 20.126 -10.699 352 HG22 ILE 50 HG22 ILE 50 0.587 18.740 -11.808 353 HG23 ILE 50 HG23 ILE 50 0.398 20.387 -12.459 354 HD11 ILE 50 HD11 ILE 50 -1.765 19.256 -8.208 355 HD12 ILE 50 HD12 ILE 50 -2.489 18.052 -9.304 356 HD13 ILE 50 HD13 ILE 50 -0.739 18.369 -9.359 357 H TRP 51 H TRP 51 -4.072 21.892 -13.189 358 HA TRP 51 HA TRP 51 -5.841 19.600 -13.796 359 HB2 TRP 51 HB2 TRP 51 -6.334 21.589 -11.554 360 HB3 TRP 51 HB3 TRP 51 -7.623 20.605 -12.278 361 HD1 TRP 51 HD1 TRP 51 -5.342 20.556 -9.447 362 HE1 TRP 51 HE1 TRP 51 -5.067 18.174 -8.449 363 HE3 TRP 51 HE3 TRP 51 -7.358 17.887 -13.313 364 HZ2 TRP 51 HZ2 TRP 51 -5.657 15.530 -9.264 365 HZ3 TRP 51 HZ3 TRP 51 -7.465 15.437 -13.126 366 HH2 TRP 51 HH2 TRP 51 -6.630 14.282 -11.141 367 HA PRO 52 HA PRO 52 -7.510 22.338 -16.803 368 HB2 PRO 52 HB2 PRO 52 -10.104 21.501 -16.917 369 HB3 PRO 52 HB3 PRO 52 -8.744 20.550 -17.571 370 HG2 PRO 52 HG2 PRO 52 -10.194 20.260 -14.948 371 HG3 PRO 52 HG3 PRO 52 -9.658 18.992 -16.094 372 HD2 PRO 52 HD2 PRO 52 -8.280 19.601 -13.828 373 HD3 PRO 52 HD3 PRO 52 -7.477 19.041 -15.329 374 H LYS 53 H LYS 53 -9.367 21.982 -13.783 375 HA LYS 53 HA LYS 53 -11.075 24.211 -14.091 376 HB2 LYS 53 HB2 LYS 53 -10.700 22.317 -12.172 377 HB3 LYS 53 HB3 LYS 53 -9.981 23.726 -11.367 378 HG2 LYS 53 HG2 LYS 53 -11.992 24.904 -11.346 379 HG3 LYS 53 HG3 LYS 53 -12.705 23.899 -12.633 380 HD2 LYS 53 HD2 LYS 53 -11.998 22.871 -9.870 381 HD3 LYS 53 HD3 LYS 53 -13.613 23.466 -10.329 382 HE2 LYS 53 HE2 LYS 53 -13.605 21.759 -12.184 383 HE3 LYS 53 HE3 LYS 53 -12.112 21.096 -11.476 384 HZ1 LYS 53 HZ1 LYS 53 -14.830 21.171 -10.284 385 HZ2 LYS 53 HZ2 LYS 53 -13.446 20.881 -9.353 386 HZ3 LYS 53 HZ3 LYS 53 -13.862 19.821 -10.605 387 H ASP 54 H ASP 54 -7.750 24.001 -12.831 388 HA ASP 54 HA ASP 54 -7.683 26.851 -12.194 389 HB2 ASP 54 HB2 ASP 54 -5.487 24.749 -12.338 390 HB3 ASP 54 HB3 ASP 54 -5.257 26.414 -11.758 391 H LYS 55 H LYS 55 -6.869 24.788 -14.904 392 HA LYS 55 HA LYS 55 -5.079 26.519 -16.268 393 HB2 LYS 55 HB2 LYS 55 -5.865 24.056 -16.759 394 HB3 LYS 55 HB3 LYS 55 -7.100 24.851 -17.756 395 HG2 LYS 55 HG2 LYS 55 -5.549 25.674 -19.262 396 HG3 LYS 55 HG3 LYS 55 -4.207 25.576 -18.096 397 HD2 LYS 55 HD2 LYS 55 -4.709 22.993 -18.207 398 HD3 LYS 55 HD3 LYS 55 -5.460 23.419 -19.763 399 HE2 LYS 55 HE2 LYS 55 -3.179 24.745 -20.087 400 HE3 LYS 55 HE3 LYS 55 -2.595 23.540 -18.913 401 HZ1 LYS 55 HZ1 LYS 55 -2.404 22.958 -21.359 402 HZ2 LYS 55 HZ2 LYS 55 -4.083 22.758 -21.357 403 HZ3 LYS 55 HZ3 LYS 55 -3.115 21.791 -20.362 404 H ARG 56 H ARG 56 -8.644 26.256 -16.418 405 HA ARG 56 HA ARG 56 -9.050 28.198 -18.436 406 HB2 ARG 56 HB2 ARG 56 -11.318 28.208 -17.782 407 HB3 ARG 56 HB3 ARG 56 -10.737 26.585 -17.360 408 HG2 ARG 56 HG2 ARG 56 -10.260 27.882 -15.034 409 HG3 ARG 56 HG3 ARG 56 -11.671 28.792 -15.628 410 HD2 ARG 56 HD2 ARG 56 -11.716 25.795 -15.711 411 HD3 ARG 56 HD3 ARG 56 -11.970 26.624 -14.157 412 HE ARG 56 HE ARG 56 -13.669 27.885 -15.987 413 HH11 ARG 56 HH11 ARG 56 -13.178 24.642 -14.683 414 HH12 ARG 56 HH12 ARG 56 -14.880 24.188 -14.841 415 HH21 ARG 56 HH21 ARG 56 -15.863 27.294 -16.189 416 HH22 ARG 56 HH22 ARG 56 -16.392 25.684 -15.691 417 H GLU 57 H GLU 57 -8.165 28.532 -15.086 418 HA GLU 57 HA GLU 57 -8.872 31.401 -15.062 419 HB2 GLU 57 HB2 GLU 57 -7.885 29.414 -13.032 420 HB3 GLU 57 HB3 GLU 57 -7.648 31.145 -12.732 421 HG2 GLU 57 HG2 GLU 57 -10.140 31.419 -13.152 422 HG3 GLU 57 HG3 GLU 57 -10.243 29.644 -13.071 423 H LYS 58 H LYS 58 -6.175 29.330 -15.692 424 HA LYS 58 HA LYS 58 -3.992 29.772 -16.249 425 HB2 LYS 58 HB2 LYS 58 -5.122 32.549 -16.767 426 HB3 LYS 58 HB3 LYS 58 -3.497 32.018 -17.250 427 HG2 LYS 58 HG2 LYS 58 -5.811 30.360 -18.132 428 HG3 LYS 58 HG3 LYS 58 -5.576 31.946 -18.905 429 HD2 LYS 58 HD2 LYS 58 -4.267 30.684 -20.288 430 HD3 LYS 58 HD3 LYS 58 -3.056 31.066 -19.038 431 HE2 LYS 58 HE2 LYS 58 -3.376 28.938 -17.980 432 HE3 LYS 58 HE3 LYS 58 -4.779 28.574 -19.011 433 HZ1 LYS 58 HZ1 LYS 58 -3.069 28.841 -20.914 434 HZ2 LYS 58 HZ2 LYS 58 -3.085 27.404 -20.020 435 HZ3 LYS 58 HZ3 LYS 58 -1.912 28.582 -19.709 436 H VAL 59 H VAL 59 -4.285 29.623 -13.612 437 HA VAL 59 HA VAL 59 -2.410 31.734 -12.658 438 HB VAL 59 HB VAL 59 -4.623 32.408 -11.858 439 HG11 VAL 59 HG11 VAL 59 -5.471 29.964 -11.911 440 HG12 VAL 59 HG12 VAL 59 -4.807 29.858 -10.262 441 HG13 VAL 59 HG13 VAL 59 -6.078 31.048 -10.638 442 HG21 VAL 59 HG21 VAL 59 -3.567 33.125 -10.034 443 HG22 VAL 59 HG22 VAL 59 -3.804 31.537 -9.264 444 HG23 VAL 59 HG23 VAL 59 -2.344 31.847 -10.234 445 H ASP 60 H ASP 60 -0.684 30.920 -11.683 446 HA ASP 60 HA ASP 60 -0.500 28.044 -11.281 447 HB2 ASP 60 HB2 ASP 60 1.397 30.341 -10.673 448 HB3 ASP 60 HB3 ASP 60 1.798 28.632 -10.397 449 H ARG 61 H ARG 61 -1.156 26.959 -9.566 450 HA ARG 61 HA ARG 61 -1.246 28.425 -6.959 451 HB2 ARG 61 HB2 ARG 61 -2.986 26.093 -7.838 452 HB3 ARG 61 HB3 ARG 61 -3.118 27.001 -6.319 453 HG2 ARG 61 HG2 ARG 61 -3.370 29.028 -8.072 454 HG3 ARG 61 HG3 ARG 61 -4.033 27.696 -9.050 455 HD2 ARG 61 HD2 ARG 61 -4.923 28.063 -6.204 456 HD3 ARG 61 HD3 ARG 61 -5.603 29.091 -7.488 457 HE ARG 61 HE ARG 61 -5.739 26.367 -8.312 458 HH11 ARG 61 HH11 ARG 61 -7.136 28.601 -5.963 459 HH12 ARG 61 HH12 ARG 61 -8.676 27.739 -5.878 460 HH21 ARG 61 HH21 ARG 61 -7.729 25.260 -8.199 461 HH22 ARG 61 HH22 ARG 61 -9.010 25.856 -7.137 462 H CYS 62 H CYS 62 -0.884 27.147 -5.028 463 HA CYS 62 HA CYS 62 1.470 25.573 -5.217 464 HB2 CYS 62 HB2 CYS 62 0.930 26.705 -3.160 465 HB3 CYS 62 HB3 CYS 62 -0.608 25.829 -3.015 466 H TYR 63 H TYR 63 1.876 23.477 -5.529 467 HA TYR 63 HA TYR 63 -0.397 21.567 -5.313 468 HB2 TYR 63 HB2 TYR 63 0.043 20.581 -7.445 469 HB3 TYR 63 HB3 TYR 63 -0.065 22.334 -7.713 470 HD1 TYR 63 HD2 TYR 63 2.209 19.440 -7.586 471 HD2 TYR 63 HD1 TYR 63 1.866 23.601 -8.400 472 HE1 TYR 63 HE2 TYR 63 4.418 19.404 -8.663 473 HE2 TYR 63 HE1 TYR 63 4.075 23.577 -9.482 474 HH TYR 63 HH TYR 63 6.083 20.645 -9.504 475 H ILE 64 H ILE 64 0.187 19.397 -4.935 476 HA ILE 64 HA ILE 64 3.067 18.890 -4.427 477 HB ILE 64 HB ILE 64 0.895 18.451 -2.348 478 HG12 ILE 64 HG12 ILE 64 3.351 20.252 -2.337 479 HG13 ILE 64 HG13 ILE 64 1.670 20.795 -2.529 480 HG21 ILE 64 HG21 ILE 64 2.472 16.604 -2.350 481 HG22 ILE 64 HG22 ILE 64 3.841 17.739 -2.320 482 HG23 ILE 64 HG23 ILE 64 2.744 17.632 -0.922 483 HD11 ILE 64 HD11 ILE 64 1.570 19.337 -0.198 484 HD12 ILE 64 HD12 ILE 64 3.169 20.117 -0.116 485 HD13 ILE 64 HD13 ILE 64 1.705 21.106 -0.324 486 H CYS 65 H CYS 65 3.647 17.012 -5.264 487 HA CYS 65 HA CYS 65 1.537 14.902 -5.504 488 HB2 CYS 65 HB2 CYS 65 3.740 15.635 -7.470 489 HB3 CYS 65 HB3 CYS 65 2.744 14.170 -7.590 490 H ASN 66 H ASN 66 2.349 12.686 -5.591 491 HA ASN 66 HA ASN 66 4.325 12.272 -3.513 492 HB2 ASN 66 HB2 ASN 66 3.909 9.879 -3.901 493 HB3 ASN 66 HB3 ASN 66 2.378 10.779 -3.809 494 HD21 ASN 66 HD21 ASN 66 2.550 8.255 -4.917 495 HD22 ASN 66 HD22 ASN 66 2.252 8.386 -6.685 496 H ASN 67 H ASN 67 6.174 10.745 -3.770 497 HA ASN 67 HA ASN 67 8.021 11.766 -5.656 498 HB2 ASN 67 HB2 ASN 67 9.504 9.990 -4.930 499 HB3 ASN 67 HB3 ASN 67 8.597 10.584 -3.522 500 HD21 ASN 67 HD21 ASN 67 6.913 9.325 -2.654 501 HD22 ASN 67 HD22 ASN 67 6.855 7.554 -2.958 502 H GLU 68 H GLU 68 5.713 9.130 -5.858 503 HA GLU 68 HA GLU 68 6.919 7.982 -8.253 504 HB2 GLU 68 HB2 GLU 68 4.090 7.562 -7.243 505 HB3 GLU 68 HB3 GLU 68 5.056 6.479 -8.266 506 HG2 GLU 68 HG2 GLU 68 6.669 6.346 -6.268 507 HG3 GLU 68 HG3 GLU 68 5.334 7.049 -5.324 508 H LYS 69 H LYS 69 5.102 10.741 -7.619 509 HA LYS 69 HA LYS 69 3.946 12.210 -8.954 510 HB2 LYS 69 HB2 LYS 69 5.777 10.842 -10.919 511 HB3 LYS 69 HB3 LYS 69 4.595 12.033 -11.491 512 HG2 LYS 69 HG2 LYS 69 5.593 13.778 -10.269 513 HG3 LYS 69 HG3 LYS 69 6.540 12.646 -9.270 514 HD2 LYS 69 HD2 LYS 69 7.556 11.932 -11.590 515 HD3 LYS 69 HD3 LYS 69 6.981 13.539 -12.102 516 HE2 LYS 69 HE2 LYS 69 8.294 14.617 -10.395 517 HE3 LYS 69 HE3 LYS 69 8.741 13.048 -9.683 518 HZ1 LYS 69 HZ1 LYS 69 10.574 13.696 -10.962 519 HZ2 LYS 69 HZ2 LYS 69 9.625 14.215 -12.262 520 HZ3 LYS 69 HZ3 LYS 69 9.780 12.562 -11.936 521 H THR 70 H THR 70 2.767 9.571 -8.375 522 HA THR 70 HA THR 70 1.120 9.138 -10.816 523 HB THR 70 HB THR 70 0.353 7.084 -9.780 524 HG1 THR 70 HG1 THR 70 0.211 7.549 -7.619 525 HG21 THR 70 HG21 THR 70 3.064 7.645 -10.420 526 HG22 THR 70 HG22 THR 70 2.221 6.078 -10.482 527 HG23 THR 70 HG23 THR 70 3.074 6.572 -9.001 528 H LEU 71 H LEU 71 0.938 10.109 -7.416 529 HA LEU 71 HA LEU 71 -1.943 10.779 -7.874 530 HB2 LEU 71 HB2 LEU 71 -1.293 9.014 -6.110 531 HB3 LEU 71 HB3 LEU 71 -0.667 10.387 -5.168 532 HG LEU 71 HG LEU 71 -3.142 11.304 -5.633 533 HD11 LEU 71 HD11 LEU 71 -3.249 8.365 -6.105 534 HD12 LEU 71 HD12 LEU 71 -4.241 9.677 -6.785 535 HD13 LEU 71 HD13 LEU 71 -4.547 9.096 -5.130 536 HD21 LEU 71 HD21 LEU 71 -3.146 9.310 -3.471 537 HD22 LEU 71 HD22 LEU 71 -3.360 11.076 -3.410 538 HD23 LEU 71 HD23 LEU 71 -1.723 10.380 -3.475 539 H CYS 72 H CYS 72 -2.722 12.767 -7.205 540 HA CYS 72 HA CYS 72 -0.787 14.674 -6.028 541 HB2 CYS 72 HB2 CYS 72 -2.198 15.153 -8.682 542 HB3 CYS 72 HB3 CYS 72 -1.284 16.376 -7.775 543 H THR 73 H THR 73 -1.831 16.764 -5.455 544 HA THR 73 HA THR 73 -4.107 16.346 -3.870 545 HB THR 73 HB THR 73 -4.319 19.017 -4.362 546 HG1 THR 73 HG1 THR 73 -2.133 19.764 -4.716 547 HG21 THR 73 HG21 THR 73 -3.640 19.069 -2.231 548 HG22 THR 73 HG22 THR 73 -1.997 18.558 -2.688 549 HG23 THR 73 HG23 THR 73 -3.254 17.338 -2.372 550 H SER 74 H SER 74 -6.277 16.550 -4.096 551 HA SER 74 HA SER 74 -7.426 16.141 -6.649 552 HB2 SER 74 HB2 SER 74 -8.700 15.452 -4.772 553 HB3 SER 74 HB3 SER 74 -8.572 17.046 -3.992 554 HG SER 74 HG SER 74 -10.644 16.688 -4.954 555 H VAL 75 H VAL 75 -8.874 17.469 -7.890 556 HA VAL 75 HA VAL 75 -7.759 20.030 -8.480 557 HB VAL 75 HB VAL 75 -9.029 18.641 -10.106 558 HG11 VAL 75 HG11 VAL 75 -11.662 19.632 -9.281 559 HG12 VAL 75 HG12 VAL 75 -11.162 18.008 -9.816 560 HG13 VAL 75 HG13 VAL 75 -10.939 18.495 -8.117 561 HG21 VAL 75 HG21 VAL 75 -10.378 21.328 -9.807 562 HG22 VAL 75 HG22 VAL 75 -8.671 21.171 -10.283 563 HG23 VAL 75 HG23 VAL 75 -9.947 20.457 -11.298 564 H MET 76 H MET 76 -10.216 18.990 -6.235 565 HA MET 76 HA MET 76 -11.224 21.745 -5.885 566 HB2 MET 76 HB2 MET 76 -11.932 19.168 -4.432 567 HB3 MET 76 HB3 MET 76 -12.769 20.723 -4.252 568 HG2 MET 76 HG2 MET 76 -13.272 20.610 -6.725 569 HG3 MET 76 HG3 MET 76 -12.664 18.939 -6.686 570 HE1 MET 76 HE1 MET 76 -15.056 17.198 -4.213 571 HE2 MET 76 HE2 MET 76 -14.416 16.807 -5.827 572 HE3 MET 76 HE3 MET 76 -13.339 17.488 -4.583 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 2.338 -2.403 -2.173 2 H2 GLY 1 H2 GLY 1 0.823 -1.770 -2.609 3 H3 GLY 1 H3 GLY 1 1.985 -2.092 -3.804 4 HA2 GLY 1 HA2 GLY 1 2.217 -0.094 -1.653 5 HA3 GLY 1 HA3 GLY 1 3.428 -0.430 -2.905 6 H THR 2 H THR 2 0.184 0.821 -2.261 7 HA THR 2 HA THR 2 0.276 2.138 -4.946 8 HB THR 2 HB THR 2 -2.303 2.465 -4.274 9 HG1 THR 2 HG1 THR 2 -3.017 0.497 -3.240 10 HG21 THR 2 HG21 THR 2 -0.784 0.538 -5.851 11 HG22 THR 2 HG22 THR 2 -2.305 1.378 -6.235 12 HG23 THR 2 HG23 THR 2 -2.335 -0.132 -5.291 13 HA PRO 3 HA PRO 3 0.354 6.124 -3.096 14 HB2 PRO 3 HB2 PRO 3 -1.301 7.547 -4.730 15 HB3 PRO 3 HB3 PRO 3 0.321 6.997 -5.228 16 HG2 PRO 3 HG2 PRO 3 -2.374 5.787 -5.818 17 HG3 PRO 3 HG3 PRO 3 -0.975 6.025 -6.909 18 HD2 PRO 3 HD2 PRO 3 -1.549 3.628 -5.758 19 HD3 PRO 3 HD3 PRO 3 0.127 4.154 -6.115 20 H SER 4 H SER 4 -0.815 7.689 -1.885 21 HA SER 4 HA SER 4 -3.687 7.175 -1.436 22 HB2 SER 4 HB2 SER 4 -3.115 7.245 1.138 23 HB3 SER 4 HB3 SER 4 -3.001 5.711 0.242 24 HG SER 4 HG SER 4 -1.139 6.119 1.557 25 H ALA 5 H ALA 5 -4.688 8.816 -0.024 26 HA ALA 5 HA ALA 5 -3.965 11.428 -0.838 27 HB1 ALA 5 HB1 ALA 5 -6.158 10.390 0.262 28 HB2 ALA 5 HB2 ALA 5 -5.442 11.091 1.734 29 HB3 ALA 5 HB3 ALA 5 -5.796 12.131 0.333 30 H ASP 6 H ASP 6 -2.767 9.448 1.748 31 HA ASP 6 HA ASP 6 -1.776 11.610 3.393 32 HB2 ASP 6 HB2 ASP 6 -2.207 9.225 4.143 33 HB3 ASP 6 HB3 ASP 6 -0.729 8.760 3.271 34 H GLN 7 H GLN 7 -0.638 9.934 0.552 35 HA GLN 7 HA GLN 7 2.147 10.669 0.867 36 HB2 GLN 7 HB2 GLN 7 0.446 9.611 -1.386 37 HB3 GLN 7 HB3 GLN 7 2.091 10.195 -1.714 38 HG2 GLN 7 HG2 GLN 7 1.483 8.120 0.394 39 HG3 GLN 7 HG3 GLN 7 1.812 7.707 -1.305 40 HE21 GLN 7 HE21 GLN 7 3.150 7.942 1.676 41 HE22 GLN 7 HE22 GLN 7 4.866 8.217 1.212 42 H VAL 8 H VAL 8 -0.714 12.221 -0.413 43 HA VAL 8 HA VAL 8 0.928 14.347 -1.674 44 HB VAL 8 HB VAL 8 -1.258 15.260 -2.440 45 HG11 VAL 8 HG11 VAL 8 -0.879 12.319 -3.084 46 HG12 VAL 8 HG12 VAL 8 -1.698 13.537 -4.093 47 HG13 VAL 8 HG13 VAL 8 0.053 13.654 -3.801 48 HG21 VAL 8 HG21 VAL 8 -2.438 12.742 -1.226 49 HG22 VAL 8 HG22 VAL 8 -2.598 14.375 -0.536 50 HG23 VAL 8 HG23 VAL 8 -3.304 14.011 -2.128 51 H ARG 9 H ARG 9 0.688 13.852 1.299 52 HA ARG 9 HA ARG 9 -0.871 16.097 2.307 53 HB2 ARG 9 HB2 ARG 9 1.082 14.134 3.519 54 HB3 ARG 9 HB3 ARG 9 0.501 15.532 4.446 55 HG2 ARG 9 HG2 ARG 9 -1.469 13.709 3.105 56 HG3 ARG 9 HG3 ARG 9 -0.705 13.227 4.641 57 HD2 ARG 9 HD2 ARG 9 -1.883 15.972 4.413 58 HD3 ARG 9 HD3 ARG 9 -2.983 14.582 4.585 59 HE ARG 9 HE ARG 9 -0.847 14.515 6.535 60 HH11 ARG 9 HH11 ARG 9 -3.946 16.005 5.731 61 HH12 ARG 9 HH12 ARG 9 -4.362 16.338 7.415 62 HH21 ARG 9 HH21 ARG 9 -1.390 14.948 8.707 63 HH22 ARG 9 HH22 ARG 9 -2.921 15.742 9.094 64 H TYR 10 H TYR 10 0.498 17.466 4.078 65 HA TYR 10 HA TYR 10 3.003 18.428 2.824 66 HB2 TYR 10 HB2 TYR 10 2.294 20.710 2.660 67 HB3 TYR 10 HB3 TYR 10 1.059 19.728 1.843 68 HD1 TYR 10 HD1 TYR 10 1.807 21.741 4.840 69 HD2 TYR 10 HD2 TYR 10 -1.177 19.584 2.708 70 HE1 TYR 10 HE1 TYR 10 0.071 22.755 6.255 71 HE2 TYR 10 HE2 TYR 10 -2.922 20.595 4.117 72 HH TYR 10 HH TYR 10 -2.082 22.828 6.773 73 H ASN 11 H ASN 11 4.173 19.978 4.198 74 HA ASN 11 HA ASN 11 3.472 19.559 7.079 75 HB2 ASN 11 HB2 ASN 11 5.781 19.326 7.617 76 HB3 ASN 11 HB3 ASN 11 5.515 18.300 6.190 77 HD21 ASN 11 HD21 ASN 11 7.892 19.763 7.377 78 HD22 ASN 11 HD22 ASN 11 8.565 20.670 5.978 79 H TYR 12 H TYR 12 3.698 21.259 8.488 80 HA TYR 12 HA TYR 12 3.608 23.897 7.245 81 HB2 TYR 12 HB2 TYR 12 3.401 22.891 10.097 82 HB3 TYR 12 HB3 TYR 12 3.432 24.627 9.712 83 HD1 TYR 12 HD2 TYR 12 1.677 25.390 7.906 84 HD2 TYR 12 HD1 TYR 12 1.357 21.812 10.184 85 HE1 TYR 12 HE2 TYR 12 -0.746 25.347 7.485 86 HE2 TYR 12 HE1 TYR 12 -1.066 21.757 9.768 87 HH TYR 12 HH TYR 12 -2.698 24.395 8.030 88 H THR 13 H THR 13 5.384 24.906 6.617 89 HA THR 13 HA THR 13 7.775 24.722 8.411 90 HB THR 13 HB THR 13 9.228 24.900 6.524 91 HG1 THR 13 HG1 THR 13 7.949 24.880 4.337 92 HG21 THR 13 HG21 THR 13 8.296 22.648 6.940 93 HG22 THR 13 HG22 THR 13 8.674 22.906 5.220 94 HG23 THR 13 HG23 THR 13 6.986 22.986 5.781 95 H GLU 14 H GLU 14 9.309 26.615 8.100 96 HA GLU 14 HA GLU 14 7.660 29.079 8.250 97 HB2 GLU 14 HB2 GLU 14 9.898 28.083 9.689 98 HB3 GLU 14 HB3 GLU 14 10.466 29.510 8.798 99 HG2 GLU 14 HG2 GLU 14 8.513 30.770 9.744 100 HG3 GLU 14 HG3 GLU 14 8.175 29.353 10.766 101 H LEU 15 H LEU 15 8.173 30.987 7.131 102 HA LEU 15 HA LEU 15 9.836 30.504 4.689 103 HB2 LEU 15 HB2 LEU 15 7.230 31.937 5.115 104 HB3 LEU 15 HB3 LEU 15 8.315 32.447 3.799 105 HG LEU 15 HG LEU 15 7.442 29.573 4.048 106 HD11 LEU 15 HD11 LEU 15 5.369 30.793 4.099 107 HD12 LEU 15 HD12 LEU 15 5.598 30.125 2.465 108 HD13 LEU 15 HD13 LEU 15 5.906 31.850 2.771 109 HD21 LEU 15 HD21 LEU 15 7.787 29.638 1.607 110 HD22 LEU 15 HD22 LEU 15 9.257 30.081 2.508 111 HD23 LEU 15 HD23 LEU 15 8.274 31.346 1.732 112 HA PRO 16 HA PRO 16 12.366 33.947 5.713 113 HB2 PRO 16 HB2 PRO 16 12.835 35.049 3.262 114 HB3 PRO 16 HB3 PRO 16 13.555 33.503 3.789 115 HG2 PRO 16 HG2 PRO 16 11.153 33.998 2.040 116 HG3 PRO 16 HG3 PRO 16 12.477 32.810 1.839 117 HD2 PRO 16 HD2 PRO 16 10.039 32.137 2.842 118 HD3 PRO 16 HD3 PRO 16 11.554 31.331 3.357 119 H ASN 17 H ASN 17 9.246 34.345 4.420 120 HA ASN 17 HA ASN 17 9.399 37.308 4.520 121 HB2 ASN 17 HB2 ASN 17 6.835 36.889 3.896 122 HB3 ASN 17 HB3 ASN 17 8.122 36.792 2.674 123 HD21 ASN 17 HD21 ASN 17 5.814 35.048 4.615 124 HD22 ASN 17 HD22 ASN 17 5.985 33.476 3.758 125 H GLY 18 H GLY 18 8.996 34.833 6.666 126 HA2 GLY 18 HA2 GLY 18 8.534 35.348 8.985 127 HA3 GLY 18 HA3 GLY 18 7.420 36.625 8.463 128 H GLU 19 H GLU 19 6.267 34.775 6.382 129 HA GLU 19 HA GLU 19 4.235 33.638 8.154 130 HB2 GLU 19 HB2 GLU 19 4.479 33.367 5.138 131 HB3 GLU 19 HB3 GLU 19 3.026 33.118 6.126 132 HG2 GLU 19 HG2 GLU 19 4.478 35.751 5.764 133 HG3 GLU 19 HG3 GLU 19 2.992 35.257 4.918 134 H TYR 20 H TYR 20 3.355 31.368 7.172 135 HA TYR 20 HA TYR 20 5.623 29.522 7.683 136 HB2 TYR 20 HB2 TYR 20 2.685 29.464 8.106 137 HB3 TYR 20 HB3 TYR 20 3.408 27.924 7.592 138 HD1 TYR 20 HD2 TYR 20 3.344 30.489 10.239 139 HD2 TYR 20 HD1 TYR 20 4.865 26.695 9.059 140 HE1 TYR 20 HE2 TYR 20 4.068 30.066 12.551 141 HE2 TYR 20 HE1 TYR 20 5.593 26.261 11.366 142 HH TYR 20 HH TYR 20 5.270 28.738 13.896 143 H CYS 21 H CYS 21 2.665 29.331 5.657 144 HA CYS 21 HA CYS 21 4.070 29.089 3.187 145 HB2 CYS 21 HB2 CYS 21 3.947 26.728 2.732 146 HB3 CYS 21 HB3 CYS 21 4.804 26.933 4.276 147 H TYR 22 H TYR 22 2.681 28.711 1.389 148 HA TYR 22 HA TYR 22 -0.092 29.460 2.010 149 HB2 TYR 22 HB2 TYR 22 1.558 29.236 -0.508 150 HB3 TYR 22 HB3 TYR 22 -0.211 29.374 -0.602 151 HD1 TYR 22 HD2 TYR 22 -0.874 31.275 1.479 152 HD2 TYR 22 HD1 TYR 22 2.453 31.261 -1.170 153 HE1 TYR 22 HE2 TYR 22 -0.697 33.718 1.698 154 HE2 TYR 22 HE1 TYR 22 2.641 33.704 -0.958 155 HH TYR 22 HH TYR 22 0.263 35.580 0.901 156 H THR 23 H THR 23 -1.693 28.077 2.277 157 HA THR 23 HA THR 23 -1.469 25.303 2.174 158 HB THR 23 HB THR 23 -4.109 25.569 1.593 159 HG1 THR 23 HG1 THR 23 -4.774 27.599 2.536 160 HG21 THR 23 HG21 THR 23 -3.607 24.580 3.624 161 HG22 THR 23 HG22 THR 23 -4.296 26.130 4.163 162 HG23 THR 23 HG23 THR 23 -2.529 25.903 4.126 163 HA PRO 24 HA PRO 24 -1.652 23.950 -2.004 164 HB2 PRO 24 HB2 PRO 24 -3.308 21.788 -1.852 165 HB3 PRO 24 HB3 PRO 24 -1.648 21.790 -1.201 166 HG2 PRO 24 HG2 PRO 24 -4.267 22.183 0.234 167 HG3 PRO 24 HG3 PRO 24 -2.843 21.216 0.721 168 HD2 PRO 24 HD2 PRO 24 -3.354 23.688 1.734 169 HD3 PRO 24 HD3 PRO 24 -1.691 23.065 1.498 170 H ARG 25 H ARG 25 -2.901 23.849 -3.912 171 HA ARG 25 HA ARG 25 -4.623 24.450 -5.305 172 HB2 ARG 25 HB2 ARG 25 -6.517 24.274 -2.946 173 HB3 ARG 25 HB3 ARG 25 -6.875 24.026 -4.668 174 HG2 ARG 25 HG2 ARG 25 -5.225 22.039 -4.492 175 HG3 ARG 25 HG3 ARG 25 -5.465 22.203 -2.736 176 HD2 ARG 25 HD2 ARG 25 -7.996 22.292 -4.144 177 HD3 ARG 25 HD3 ARG 25 -7.088 20.823 -4.570 178 HE ARG 25 HE ARG 25 -7.374 20.018 -2.414 179 HH11 ARG 25 HH11 ARG 25 -8.267 23.429 -2.600 180 HH12 ARG 25 HH12 ARG 25 -8.982 23.456 -0.984 181 HH21 ARG 25 HH21 ARG 25 -8.299 20.059 -0.330 182 HH22 ARG 25 HH22 ARG 25 -9.000 21.556 0.295 183 H ARG 26 H ARG 26 -3.188 26.376 -3.429 184 HA ARG 26 HA ARG 26 -5.197 28.589 -3.579 185 HB2 ARG 26 HB2 ARG 26 -3.685 27.732 -1.409 186 HB3 ARG 26 HB3 ARG 26 -2.770 29.125 -2.017 187 HG2 ARG 26 HG2 ARG 26 -5.404 30.003 -2.038 188 HG3 ARG 26 HG3 ARG 26 -5.282 29.030 -0.553 189 HD2 ARG 26 HD2 ARG 26 -3.197 30.320 0.010 190 HD3 ARG 26 HD3 ARG 26 -3.554 31.378 -1.375 191 HE ARG 26 HE ARG 26 -4.886 31.337 1.229 192 HH11 ARG 26 HH11 ARG 26 -5.103 32.225 -2.180 193 HH12 ARG 26 HH12 ARG 26 -6.321 33.475 -1.903 194 HH21 ARG 26 HH21 ARG 26 -6.458 32.951 1.581 195 HH22 ARG 26 HH22 ARG 26 -7.085 33.885 0.218 196 H ARG 27 H ARG 27 -4.610 30.585 -4.440 197 HA ARG 27 HA ARG 27 -2.776 30.447 -6.639 198 HB2 ARG 27 HB2 ARG 27 -4.667 31.929 -6.758 199 HB3 ARG 27 HB3 ARG 27 -4.169 32.776 -5.280 200 HG2 ARG 27 HG2 ARG 27 -2.314 33.788 -6.376 201 HG3 ARG 27 HG3 ARG 27 -2.514 32.748 -7.810 202 HD2 ARG 27 HD2 ARG 27 -3.491 34.709 -8.534 203 HD3 ARG 27 HD3 ARG 27 -4.903 33.829 -7.899 204 HE ARG 27 HE ARG 27 -5.172 35.471 -6.311 205 HH11 ARG 27 HH11 ARG 27 -1.870 35.554 -7.556 206 HH12 ARG 27 HH12 ARG 27 -1.440 37.016 -6.659 207 HH21 ARG 27 HH21 ARG 27 -4.611 37.356 -5.157 208 HH22 ARG 27 HH22 ARG 27 -2.985 38.031 -5.307 209 H CYS 28 H CYS 28 -0.647 30.585 -6.657 210 HA CYS 28 HA CYS 28 0.657 32.281 -4.574 211 HB2 CYS 28 HB2 CYS 28 2.501 30.575 -4.475 212 HB3 CYS 28 HB3 CYS 28 0.951 30.008 -3.817 213 H THR 29 H THR 29 2.967 32.785 -5.138 214 HA THR 29 HA THR 29 3.158 33.182 -8.099 215 HB THR 29 HB THR 29 2.885 35.318 -6.996 216 HG1 THR 29 HG1 THR 29 4.917 36.285 -7.623 217 HG21 THR 29 HG21 THR 29 3.609 34.614 -4.735 218 HG22 THR 29 HG22 THR 29 4.406 36.115 -5.262 219 HG23 THR 29 HG23 THR 29 5.296 34.573 -5.304 220 H SER 30 H SER 30 4.686 32.007 -5.204 221 HA SER 30 HA SER 30 7.005 31.149 -6.880 222 HB2 SER 30 HB2 SER 30 7.440 31.856 -3.985 223 HB3 SER 30 HB3 SER 30 8.595 31.855 -5.338 224 HG SER 30 HG SER 30 8.004 33.989 -4.670 225 H ALA 31 H ALA 31 7.759 29.112 -6.526 226 HA ALA 31 HA ALA 31 5.978 27.246 -5.296 227 HB1 ALA 31 HB1 ALA 31 8.130 25.735 -5.522 228 HB2 ALA 31 HB2 ALA 31 7.233 26.280 -6.961 229 HB3 ALA 31 HB3 ALA 31 8.729 27.116 -6.473 230 H ASP 32 H ASP 32 8.884 28.905 -4.163 231 HA ASP 32 HA ASP 32 9.483 27.344 -1.905 232 HB2 ASP 32 HB2 ASP 32 10.656 29.460 -2.904 233 HB3 ASP 32 HB3 ASP 32 9.602 30.360 -1.792 234 H GLN 33 H GLN 33 6.970 29.791 -2.383 235 HA GLN 33 HA GLN 33 6.225 29.917 0.411 236 HB2 GLN 33 HB2 GLN 33 4.561 30.608 -2.037 237 HB3 GLN 33 HB3 GLN 33 4.276 31.153 -0.372 238 HG2 GLN 33 HG2 GLN 33 6.557 32.258 -0.482 239 HG3 GLN 33 HG3 GLN 33 6.528 31.922 -2.230 240 HE21 GLN 33 HE21 GLN 33 4.381 32.590 -3.297 241 HE22 GLN 33 HE22 GLN 33 3.803 34.235 -2.857 242 H CYS 34 H CYS 34 5.123 28.058 -2.410 243 HA CYS 34 HA CYS 34 2.781 26.943 -1.337 244 HB2 CYS 34 HB2 CYS 34 3.356 26.594 -3.651 245 HB3 CYS 34 HB3 CYS 34 4.857 25.749 -3.210 246 H CYS 35 H CYS 35 2.339 25.639 0.302 247 HA CYS 35 HA CYS 35 4.226 24.778 2.173 248 HB2 CYS 35 HB2 CYS 35 1.529 23.560 1.470 249 HB3 CYS 35 HB3 CYS 35 2.461 23.159 2.930 250 H ARG 36 H ARG 36 5.726 23.251 2.262 251 HA ARG 36 HA ARG 36 6.138 21.504 -0.009 252 HB2 ARG 36 HB2 ARG 36 7.498 22.051 2.596 253 HB3 ARG 36 HB3 ARG 36 7.831 20.490 1.820 254 HG2 ARG 36 HG2 ARG 36 8.849 21.468 -0.017 255 HG3 ARG 36 HG3 ARG 36 8.040 23.035 0.237 256 HD2 ARG 36 HD2 ARG 36 9.946 21.975 2.305 257 HD3 ARG 36 HD3 ARG 36 10.578 22.743 0.830 258 HE ARG 36 HE ARG 36 8.565 24.405 2.002 259 HH11 ARG 36 HH11 ARG 36 11.874 23.277 2.489 260 HH12 ARG 36 HH12 ARG 36 12.368 24.725 3.373 261 HH21 ARG 36 HH21 ARG 36 9.207 26.272 3.143 262 HH22 ARG 36 HH22 ARG 36 10.862 26.413 3.742 263 HA PRO 37 HA PRO 37 4.002 17.845 1.157 264 HB2 PRO 37 HB2 PRO 37 5.761 15.890 0.432 265 HB3 PRO 37 HB3 PRO 37 4.850 16.868 -0.750 266 HG2 PRO 37 HG2 PRO 37 7.692 17.176 0.201 267 HG3 PRO 37 HG3 PRO 37 7.033 17.296 -1.459 268 HD2 PRO 37 HD2 PRO 37 7.616 19.482 0.056 269 HD3 PRO 37 HD3 PRO 37 6.278 19.459 -1.137 270 H TYR 38 H TYR 38 3.830 16.181 2.688 271 HA TYR 38 HA TYR 38 5.148 16.648 5.152 272 HB2 TYR 38 HB2 TYR 38 2.939 15.360 4.589 273 HB3 TYR 38 HB3 TYR 38 4.004 13.947 4.444 274 HD1 TYR 38 HD2 TYR 38 5.461 13.350 6.454 275 HD2 TYR 38 HD1 TYR 38 2.206 16.080 6.693 276 HE1 TYR 38 HE2 TYR 38 5.385 13.037 8.892 277 HE2 TYR 38 HE1 TYR 38 2.123 15.775 9.133 278 HH TYR 38 HH TYR 38 4.222 13.419 10.769 279 H ASP 39 H ASP 39 6.057 14.739 2.385 280 HA ASP 39 HA ASP 39 8.593 14.071 3.766 281 HB2 ASP 39 HB2 ASP 39 6.687 12.062 2.535 282 HB3 ASP 39 HB3 ASP 39 8.428 11.730 2.680 283 H THR 40 H THR 40 9.798 15.397 2.505 284 HA THR 40 HA THR 40 9.453 15.835 -0.262 285 HB THR 40 HB THR 40 12.014 16.339 -0.177 286 HG1 THR 40 HG1 THR 40 12.739 16.645 2.024 287 HG21 THR 40 HG21 THR 40 11.443 18.476 0.304 288 HG22 THR 40 HG22 THR 40 10.685 18.034 1.853 289 HG23 THR 40 HG23 THR 40 9.785 17.829 0.332 290 H THR 41 H THR 41 10.966 13.188 1.466 291 HA THR 41 HA THR 41 12.456 12.168 -0.794 292 HB THR 41 HB THR 41 12.588 10.058 0.557 293 HG1 THR 41 HG1 THR 41 11.705 10.182 2.719 294 HG21 THR 41 HG21 THR 41 13.180 12.389 2.374 295 HG22 THR 41 HG22 THR 41 14.058 12.193 0.839 296 HG23 THR 41 HG23 THR 41 14.135 10.916 2.077 297 H ALA 42 H ALA 42 9.137 12.143 0.082 298 HA ALA 42 HA ALA 42 8.647 10.090 -2.035 299 HB1 ALA 42 HB1 ALA 42 8.031 9.845 0.713 300 HB2 ALA 42 HB2 ALA 42 6.490 10.128 -0.133 301 HB3 ALA 42 HB3 ALA 42 7.539 8.776 -0.621 302 H ALA 43 H ALA 43 8.704 13.123 -1.904 303 HA ALA 43 HA ALA 43 6.519 13.591 -3.656 304 HB1 ALA 43 HB1 ALA 43 6.011 14.229 -0.760 305 HB2 ALA 43 HB2 ALA 43 5.272 15.209 -2.050 306 HB3 ALA 43 HB3 ALA 43 4.938 13.462 -1.954 307 H PHE 44 H PHE 44 6.200 15.954 -4.116 308 HA PHE 44 HA PHE 44 8.535 17.584 -3.258 309 HB2 PHE 44 HB2 PHE 44 8.864 18.320 -5.635 310 HB3 PHE 44 HB3 PHE 44 9.265 16.613 -5.350 311 HD1 PHE 44 HD2 PHE 44 7.667 14.850 -6.089 312 HD2 PHE 44 HD1 PHE 44 7.178 18.939 -7.157 313 HE1 PHE 44 HE2 PHE 44 6.145 14.188 -7.904 314 HE2 PHE 44 HE1 PHE 44 5.655 18.285 -8.975 315 HZ PHE 44 HZ PHE 44 5.136 15.908 -9.351 316 H HIS 45 H HIS 45 8.305 19.897 -4.098 317 HA HIS 45 HA HIS 45 5.409 20.646 -3.973 318 HB2 HIS 45 HB2 HIS 45 5.951 22.542 -2.644 319 HB3 HIS 45 HB3 HIS 45 6.843 21.184 -1.924 320 HD2 HIS 45 HD2 HIS 45 7.522 24.583 -3.672 321 HE1 HIS 45 HE1 HIS 45 11.261 22.871 -2.631 322 HE2 HIS 45 HE2 HIS 45 10.095 24.960 -3.500 323 H GLY 46 H GLY 46 5.021 22.936 -4.815 324 HA2 GLY 46 HA2 GLY 46 6.669 24.331 -6.540 325 HA3 GLY 46 HA3 GLY 46 6.069 22.996 -7.542 326 H CYS 47 H CYS 47 5.600 25.755 -8.037 327 HA CYS 47 HA CYS 47 2.685 25.960 -7.404 328 HB2 CYS 47 HB2 CYS 47 4.860 27.987 -7.827 329 HB3 CYS 47 HB3 CYS 47 3.199 28.417 -8.293 330 H GLY 48 H GLY 48 1.307 25.522 -8.979 331 HA2 GLY 48 HA2 GLY 48 1.622 26.548 -11.642 332 HA3 GLY 48 HA3 GLY 48 2.099 24.839 -11.607 333 H ARG 49 H ARG 49 0.369 24.342 -13.026 334 HA ARG 49 HA ARG 49 -2.225 24.160 -11.562 335 HB2 ARG 49 HB2 ARG 49 -1.979 24.821 -14.518 336 HB3 ARG 49 HB3 ARG 49 -3.467 24.746 -13.552 337 HG2 ARG 49 HG2 ARG 49 -2.900 26.715 -12.354 338 HG3 ARG 49 HG3 ARG 49 -1.236 26.704 -12.988 339 HD2 ARG 49 HD2 ARG 49 -3.789 27.186 -14.552 340 HD3 ARG 49 HD3 ARG 49 -2.540 28.386 -14.148 341 HE ARG 49 HE ARG 49 -2.495 26.447 -16.315 342 HH11 ARG 49 HH11 ARG 49 -0.541 28.380 -14.098 343 HH12 ARG 49 HH12 ARG 49 0.865 28.408 -15.169 344 HH21 ARG 49 HH21 ARG 49 -0.675 26.485 -17.691 345 HH22 ARG 49 HH22 ARG 49 0.788 27.340 -17.195 346 H ILE 50 H ILE 50 -1.543 21.995 -11.086 347 HA ILE 50 HA ILE 50 -0.939 20.124 -13.192 348 HB ILE 50 HB ILE 50 -1.423 18.382 -11.441 349 HG12 ILE 50 HG12 ILE 50 -1.673 20.656 -9.468 350 HG13 ILE 50 HG13 ILE 50 -3.117 20.027 -10.295 351 HG21 ILE 50 HG21 ILE 50 0.655 18.647 -10.589 352 HG22 ILE 50 HG22 ILE 50 0.735 19.988 -11.759 353 HG23 ILE 50 HG23 ILE 50 0.341 20.317 -10.055 354 HD11 ILE 50 HD11 ILE 50 -2.280 17.713 -9.462 355 HD12 ILE 50 HD12 ILE 50 -1.315 18.677 -8.315 356 HD13 ILE 50 HD13 ILE 50 -3.088 18.820 -8.328 357 H TRP 51 H TRP 51 -3.881 21.420 -11.876 358 HA TRP 51 HA TRP 51 -5.462 19.271 -13.197 359 HB2 TRP 51 HB2 TRP 51 -6.202 21.446 -11.211 360 HB3 TRP 51 HB3 TRP 51 -7.405 20.417 -12.018 361 HD1 TRP 51 HD1 TRP 51 -5.441 20.574 -8.936 362 HE1 TRP 51 HE1 TRP 51 -5.386 18.288 -7.706 363 HE3 TRP 51 HE3 TRP 51 -7.177 17.633 -12.740 364 HZ2 TRP 51 HZ2 TRP 51 -6.016 15.604 -8.336 365 HZ3 TRP 51 HZ3 TRP 51 -7.421 15.217 -12.346 366 HH2 TRP 51 HH2 TRP 51 -6.852 14.225 -10.188 367 HA PRO 52 HA PRO 52 -6.634 21.782 -16.608 368 HB2 PRO 52 HB2 PRO 52 -9.209 20.979 -17.010 369 HB3 PRO 52 HB3 PRO 52 -7.801 19.956 -17.396 370 HG2 PRO 52 HG2 PRO 52 -9.599 19.905 -14.980 371 HG3 PRO 52 HG3 PRO 52 -8.950 18.540 -15.940 372 HD2 PRO 52 HD2 PRO 52 -7.873 19.309 -13.562 373 HD3 PRO 52 HD3 PRO 52 -6.890 18.616 -14.891 374 H LYS 53 H LYS 53 -8.973 21.669 -13.910 375 HA LYS 53 HA LYS 53 -10.553 23.878 -14.588 376 HB2 LYS 53 HB2 LYS 53 -10.545 22.191 -12.521 377 HB3 LYS 53 HB3 LYS 53 -9.719 23.546 -11.726 378 HG2 LYS 53 HG2 LYS 53 -11.566 24.927 -11.851 379 HG3 LYS 53 HG3 LYS 53 -12.273 24.035 -13.221 380 HD2 LYS 53 HD2 LYS 53 -11.996 22.907 -10.420 381 HD3 LYS 53 HD3 LYS 53 -13.461 23.715 -11.030 382 HE2 LYS 53 HE2 LYS 53 -13.332 22.006 -12.968 383 HE3 LYS 53 HE3 LYS 53 -12.221 21.111 -11.905 384 HZ1 LYS 53 HZ1 LYS 53 -14.722 21.987 -10.698 385 HZ2 LYS 53 HZ2 LYS 53 -13.884 20.529 -10.519 386 HZ3 LYS 53 HZ3 LYS 53 -14.860 20.782 -11.879 387 H ASP 54 H ASP 54 -7.513 23.841 -12.692 388 HA ASP 54 HA ASP 54 -7.446 26.695 -12.347 389 HB2 ASP 54 HB2 ASP 54 -5.201 24.642 -12.263 390 HB3 ASP 54 HB3 ASP 54 -5.073 26.321 -11.697 391 H LYS 55 H LYS 55 -6.228 24.489 -14.824 392 HA LYS 55 HA LYS 55 -4.435 26.195 -16.154 393 HB2 LYS 55 HB2 LYS 55 -5.182 23.695 -16.584 394 HB3 LYS 55 HB3 LYS 55 -6.300 24.446 -17.739 395 HG2 LYS 55 HG2 LYS 55 -4.568 25.261 -19.078 396 HG3 LYS 55 HG3 LYS 55 -3.357 25.076 -17.786 397 HD2 LYS 55 HD2 LYS 55 -3.974 22.532 -17.968 398 HD3 LYS 55 HD3 LYS 55 -4.583 22.995 -19.575 399 HE2 LYS 55 HE2 LYS 55 -2.383 23.948 -20.129 400 HE3 LYS 55 HE3 LYS 55 -1.778 23.474 -18.524 401 HZ1 LYS 55 HZ1 LYS 55 -2.957 21.421 -20.274 402 HZ2 LYS 55 HZ2 LYS 55 -1.762 21.266 -19.087 403 HZ3 LYS 55 HZ3 LYS 55 -1.382 21.956 -20.586 404 H ARG 56 H ARG 56 -7.978 25.910 -16.511 405 HA ARG 56 HA ARG 56 -8.236 27.746 -18.665 406 HB2 ARG 56 HB2 ARG 56 -10.260 27.359 -16.438 407 HB3 ARG 56 HB3 ARG 56 -10.567 27.823 -18.125 408 HG2 ARG 56 HG2 ARG 56 -9.387 25.461 -18.559 409 HG3 ARG 56 HG3 ARG 56 -10.045 25.149 -16.933 410 HD2 ARG 56 HD2 ARG 56 -11.646 24.452 -18.619 411 HD3 ARG 56 HD3 ARG 56 -12.277 25.860 -17.731 412 HE ARG 56 HE ARG 56 -12.231 27.104 -19.682 413 HH11 ARG 56 HH11 ARG 56 -10.333 24.150 -20.064 414 HH12 ARG 56 HH12 ARG 56 -10.106 24.377 -21.802 415 HH21 ARG 56 HH21 ARG 56 -11.932 27.390 -21.923 416 HH22 ARG 56 HH22 ARG 56 -11.005 26.203 -22.850 417 H GLU 57 H GLU 57 -7.757 28.218 -15.227 418 HA GLU 57 HA GLU 57 -8.487 31.063 -15.369 419 HB2 GLU 57 HB2 GLU 57 -7.243 29.400 -13.149 420 HB3 GLU 57 HB3 GLU 57 -7.745 31.094 -12.989 421 HG2 GLU 57 HG2 GLU 57 -9.419 28.623 -13.261 422 HG3 GLU 57 HG3 GLU 57 -9.540 29.956 -12.090 423 H LYS 58 H LYS 58 -5.684 29.074 -15.772 424 HA LYS 58 HA LYS 58 -3.485 29.577 -16.196 425 HB2 LYS 58 HB2 LYS 58 -4.670 32.282 -16.918 426 HB3 LYS 58 HB3 LYS 58 -3.011 31.777 -17.286 427 HG2 LYS 58 HG2 LYS 58 -5.193 29.981 -18.204 428 HG3 LYS 58 HG3 LYS 58 -5.034 31.553 -19.026 429 HD2 LYS 58 HD2 LYS 58 -3.588 30.344 -20.312 430 HD3 LYS 58 HD3 LYS 58 -2.455 30.830 -19.027 431 HE2 LYS 58 HE2 LYS 58 -2.761 28.707 -17.898 432 HE3 LYS 58 HE3 LYS 58 -4.014 28.229 -19.068 433 HZ1 LYS 58 HZ1 LYS 58 -1.612 28.954 -20.403 434 HZ2 LYS 58 HZ2 LYS 58 -2.459 27.491 -20.446 435 HZ3 LYS 58 HZ3 LYS 58 -1.296 27.760 -19.248 436 H VAL 59 H VAL 59 -4.117 29.641 -13.540 437 HA VAL 59 HA VAL 59 -2.376 31.877 -12.585 438 HB VAL 59 HB VAL 59 -4.671 32.381 -11.918 439 HG11 VAL 59 HG11 VAL 59 -4.978 30.125 -10.062 440 HG12 VAL 59 HG12 VAL 59 -6.156 30.874 -11.168 441 HG13 VAL 59 HG13 VAL 59 -5.012 29.655 -11.777 442 HG21 VAL 59 HG21 VAL 59 -3.961 31.637 -9.263 443 HG22 VAL 59 HG22 VAL 59 -2.458 32.011 -10.141 444 HG23 VAL 59 HG23 VAL 59 -3.765 33.216 -10.062 445 H ASP 60 H ASP 60 -0.625 31.232 -11.539 446 HA ASP 60 HA ASP 60 -0.067 28.459 -11.130 447 HB2 ASP 60 HB2 ASP 60 1.250 30.988 -10.087 448 HB3 ASP 60 HB3 ASP 60 1.892 29.363 -9.770 449 H ARG 61 H ARG 61 -0.922 27.144 -9.684 450 HA ARG 61 HA ARG 61 -1.597 28.301 -7.006 451 HB2 ARG 61 HB2 ARG 61 -2.908 25.945 -8.413 452 HB3 ARG 61 HB3 ARG 61 -3.363 26.610 -6.832 453 HG2 ARG 61 HG2 ARG 61 -3.358 28.633 -8.938 454 HG3 ARG 61 HG3 ARG 61 -4.461 27.277 -9.282 455 HD2 ARG 61 HD2 ARG 61 -4.481 28.407 -6.523 456 HD3 ARG 61 HD3 ARG 61 -5.187 29.399 -7.821 457 HE ARG 61 HE ARG 61 -6.111 26.629 -7.802 458 HH11 ARG 61 HH11 ARG 61 -6.579 29.894 -6.544 459 HH12 ARG 61 HH12 ARG 61 -8.287 29.637 -6.170 460 HH21 ARG 61 HH21 ARG 61 -8.317 26.303 -7.314 461 HH22 ARG 61 HH22 ARG 61 -9.265 27.612 -6.601 462 H CYS 62 H CYS 62 -1.131 27.107 -5.158 463 HA CYS 62 HA CYS 62 1.254 25.529 -5.311 464 HB2 CYS 62 HB2 CYS 62 0.792 26.785 -3.312 465 HB3 CYS 62 HB3 CYS 62 -0.768 25.964 -3.086 466 H TYR 63 H TYR 63 1.612 23.412 -5.523 467 HA TYR 63 HA TYR 63 -0.668 21.551 -5.096 468 HB2 TYR 63 HB2 TYR 63 -0.392 20.465 -7.204 469 HB3 TYR 63 HB3 TYR 63 -0.492 22.204 -7.549 470 HD1 TYR 63 HD2 TYR 63 1.694 19.257 -7.515 471 HD2 TYR 63 HD1 TYR 63 1.453 23.422 -8.346 472 HE1 TYR 63 HE2 TYR 63 3.824 19.130 -8.738 473 HE2 TYR 63 HE1 TYR 63 3.581 23.308 -9.573 474 HH TYR 63 HH TYR 63 5.476 20.302 -9.701 475 H ILE 64 H ILE 64 -0.028 19.307 -4.884 476 HA ILE 64 HA ILE 64 2.865 18.867 -4.416 477 HB ILE 64 HB ILE 64 0.752 18.364 -2.292 478 HG12 ILE 64 HG12 ILE 64 3.176 20.208 -2.314 479 HG13 ILE 64 HG13 ILE 64 1.481 20.723 -2.466 480 HG21 ILE 64 HG21 ILE 64 2.649 17.563 -0.917 481 HG22 ILE 64 HG22 ILE 64 2.362 16.548 -2.351 482 HG23 ILE 64 HG23 ILE 64 3.712 17.706 -2.336 483 HD11 ILE 64 HD11 ILE 64 1.447 20.948 -0.262 484 HD12 ILE 64 HD12 ILE 64 1.572 19.175 -0.136 485 HD13 ILE 64 HD13 ILE 64 3.043 20.178 -0.101 486 H CYS 65 H CYS 65 3.441 17.039 -5.354 487 HA CYS 65 HA CYS 65 1.395 14.860 -5.503 488 HB2 CYS 65 HB2 CYS 65 3.459 15.659 -7.594 489 HB3 CYS 65 HB3 CYS 65 2.426 14.216 -7.683 490 H ASN 66 H ASN 66 2.186 12.698 -5.491 491 HA ASN 66 HA ASN 66 4.331 12.316 -3.623 492 HB2 ASN 66 HB2 ASN 66 3.987 9.913 -4.044 493 HB3 ASN 66 HB3 ASN 66 2.435 10.752 -3.829 494 HD21 ASN 66 HD21 ASN 66 2.527 8.285 -4.986 495 HD22 ASN 66 HD22 ASN 66 2.144 8.436 -6.736 496 H ASN 67 H ASN 67 6.194 10.810 -4.028 497 HA ASN 67 HA ASN 67 7.925 11.947 -5.960 498 HB2 ASN 67 HB2 ASN 67 9.466 10.145 -5.402 499 HB3 ASN 67 HB3 ASN 67 8.654 10.708 -3.923 500 HD21 ASN 67 HD21 ASN 67 6.957 9.443 -3.029 501 HD22 ASN 67 HD22 ASN 67 6.908 7.672 -3.343 502 H GLU 68 H GLU 68 5.665 9.265 -6.155 503 HA GLU 68 HA GLU 68 6.769 8.244 -8.654 504 HB2 GLU 68 HB2 GLU 68 4.074 7.743 -7.335 505 HB3 GLU 68 HB3 GLU 68 4.756 6.818 -8.686 506 HG2 GLU 68 HG2 GLU 68 6.494 7.003 -6.314 507 HG3 GLU 68 HG3 GLU 68 4.961 6.135 -6.059 508 H LYS 69 H LYS 69 4.935 10.942 -7.816 509 HA LYS 69 HA LYS 69 3.703 12.449 -9.035 510 HB2 LYS 69 HB2 LYS 69 5.444 11.172 -11.138 511 HB3 LYS 69 HB3 LYS 69 4.208 12.352 -11.617 512 HG2 LYS 69 HG2 LYS 69 5.219 14.068 -10.297 513 HG3 LYS 69 HG3 LYS 69 6.332 12.906 -9.536 514 HD2 LYS 69 HD2 LYS 69 7.465 12.536 -11.640 515 HD3 LYS 69 HD3 LYS 69 6.276 13.543 -12.501 516 HE2 LYS 69 HE2 LYS 69 7.006 15.429 -10.915 517 HE3 LYS 69 HE3 LYS 69 8.393 14.386 -10.519 518 HZ1 LYS 69 HZ1 LYS 69 7.690 15.584 -13.142 519 HZ2 LYS 69 HZ2 LYS 69 8.787 14.305 -13.006 520 HZ3 LYS 69 HZ3 LYS 69 9.112 15.781 -12.247 521 H THR 70 H THR 70 2.664 9.676 -8.558 522 HA THR 70 HA THR 70 0.867 9.335 -10.893 523 HB THR 70 HB THR 70 0.157 7.254 -9.843 524 HG1 THR 70 HG1 THR 70 1.136 6.631 -7.815 525 HG21 THR 70 HG21 THR 70 3.172 7.586 -9.702 526 HG22 THR 70 HG22 THR 70 2.231 7.218 -11.166 527 HG23 THR 70 HG23 THR 70 2.295 6.043 -9.831 528 H LEU 71 H LEU 71 0.817 10.166 -7.444 529 HA LEU 71 HA LEU 71 -2.091 10.802 -7.747 530 HB2 LEU 71 HB2 LEU 71 -1.266 9.054 -6.027 531 HB3 LEU 71 HB3 LEU 71 -0.658 10.455 -5.116 532 HG LEU 71 HG LEU 71 -3.195 11.257 -5.466 533 HD11 LEU 71 HD11 LEU 71 -4.148 9.490 -6.628 534 HD12 LEU 71 HD12 LEU 71 -4.554 9.102 -4.939 535 HD13 LEU 71 HD13 LEU 71 -3.207 8.264 -5.743 536 HD21 LEU 71 HD21 LEU 71 -3.430 9.609 -3.247 537 HD22 LEU 71 HD22 LEU 71 -2.792 11.270 -3.267 538 HD23 LEU 71 HD23 LEU 71 -1.677 9.890 -3.382 539 H CYS 72 H CYS 72 -2.886 12.766 -7.021 540 HA CYS 72 HA CYS 72 -0.936 14.724 -5.961 541 HB2 CYS 72 HB2 CYS 72 -2.532 15.170 -8.515 542 HB3 CYS 72 HB3 CYS 72 -1.593 16.417 -7.663 543 H THR 73 H THR 73 -1.965 16.727 -5.214 544 HA THR 73 HA THR 73 -4.155 16.231 -3.541 545 HB THR 73 HB THR 73 -4.364 18.959 -4.086 546 HG1 THR 73 HG1 THR 73 -2.123 19.605 -4.219 547 HG21 THR 73 HG21 THR 73 -3.226 17.197 -2.046 548 HG22 THR 73 HG22 THR 73 -4.132 18.720 -1.866 549 HG23 THR 73 HG23 THR 73 -2.375 18.757 -2.153 550 H SER 74 H SER 74 -6.297 17.376 -3.558 551 HA SER 74 HA SER 74 -7.763 16.527 -5.877 552 HB2 SER 74 HB2 SER 74 -8.649 16.698 -3.508 553 HB3 SER 74 HB3 SER 74 -8.708 18.464 -3.728 554 HG SER 74 HG SER 74 -10.726 17.437 -4.198 555 H VAL 75 H VAL 75 -9.552 18.280 -6.658 556 HA VAL 75 HA VAL 75 -7.893 20.426 -7.899 557 HB VAL 75 HB VAL 75 -9.001 18.857 -9.455 558 HG11 VAL 75 HG11 VAL 75 -11.563 19.940 -8.245 559 HG12 VAL 75 HG12 VAL 75 -11.460 18.917 -9.697 560 HG13 VAL 75 HG13 VAL 75 -10.951 18.277 -8.115 561 HG21 VAL 75 HG21 VAL 75 -8.758 21.516 -9.717 562 HG22 VAL 75 HG22 VAL 75 -9.463 20.483 -10.981 563 HG23 VAL 75 HG23 VAL 75 -10.526 21.381 -9.870 564 H MET 76 H MET 76 -10.548 19.811 -5.757 565 HA MET 76 HA MET 76 -11.184 22.736 -5.772 566 HB2 MET 76 HB2 MET 76 -13.377 22.041 -4.749 567 HB3 MET 76 HB3 MET 76 -13.135 21.493 -6.418 568 HG2 MET 76 HG2 MET 76 -12.753 19.270 -5.751 569 HG3 MET 76 HG3 MET 76 -12.512 19.734 -4.052 570 HE1 MET 76 HE1 MET 76 -15.145 19.646 -6.996 571 HE2 MET 76 HE2 MET 76 -16.640 20.065 -6.124 572 HE3 MET 76 HE3 MET 76 -15.343 21.272 -6.297 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 3.719 -1.522 -1.814 2 H2 GLY 1 H2 GLY 1 4.126 0.123 -1.934 3 H3 GLY 1 H3 GLY 1 4.021 -0.616 -0.410 4 HA2 GLY 1 HA2 GLY 1 1.615 -1.127 -1.476 5 HA3 GLY 1 HA3 GLY 1 1.996 0.139 -0.294 6 H THR 2 H THR 2 -0.136 0.372 -2.055 7 HA THR 2 HA THR 2 0.731 1.997 -4.336 8 HB THR 2 HB THR 2 -1.903 2.460 -4.299 9 HG1 THR 2 HG1 THR 2 -2.958 0.570 -3.420 10 HG21 THR 2 HG21 THR 2 -0.170 0.402 -5.426 11 HG22 THR 2 HG22 THR 2 -1.510 1.303 -6.179 12 HG23 THR 2 HG23 THR 2 -1.845 -0.168 -5.234 13 HA PRO 3 HA PRO 3 0.583 6.000 -2.522 14 HB2 PRO 3 HB2 PRO 3 -0.577 7.479 -4.499 15 HB3 PRO 3 HB3 PRO 3 1.087 6.846 -4.607 16 HG2 PRO 3 HG2 PRO 3 -1.456 5.761 -5.802 17 HG3 PRO 3 HG3 PRO 3 0.167 5.915 -6.540 18 HD2 PRO 3 HD2 PRO 3 -0.778 3.564 -5.548 19 HD3 PRO 3 HD3 PRO 3 0.959 4.003 -5.509 20 H SER 4 H SER 4 -0.731 7.562 -1.529 21 HA SER 4 HA SER 4 -3.661 7.239 -1.793 22 HB2 SER 4 HB2 SER 4 -2.351 7.095 0.944 23 HB3 SER 4 HB3 SER 4 -4.060 6.823 0.531 24 HG SER 4 HG SER 4 -2.896 4.853 0.858 25 H ALA 5 H ALA 5 -4.741 8.839 -0.119 26 HA ALA 5 HA ALA 5 -3.957 11.449 -0.917 27 HB1 ALA 5 HB1 ALA 5 -6.221 10.571 -0.015 28 HB2 ALA 5 HB2 ALA 5 -5.544 10.937 1.591 29 HB3 ALA 5 HB3 ALA 5 -5.724 12.233 0.385 30 H ASP 6 H ASP 6 -2.852 9.407 1.659 31 HA ASP 6 HA ASP 6 -1.848 11.529 3.356 32 HB2 ASP 6 HB2 ASP 6 -2.356 9.082 3.988 33 HB3 ASP 6 HB3 ASP 6 -0.781 8.694 3.259 34 H GLN 7 H GLN 7 -0.699 9.873 0.512 35 HA GLN 7 HA GLN 7 2.099 10.523 0.899 36 HB2 GLN 7 HB2 GLN 7 0.405 9.454 -1.332 37 HB3 GLN 7 HB3 GLN 7 1.994 10.130 -1.740 38 HG2 GLN 7 HG2 GLN 7 1.657 8.051 0.416 39 HG3 GLN 7 HG3 GLN 7 1.831 7.614 -1.301 40 HE21 GLN 7 HE21 GLN 7 3.472 7.778 1.464 41 HE22 GLN 7 HE22 GLN 7 5.109 8.187 0.845 42 H VAL 8 H VAL 8 -0.695 12.169 -0.414 43 HA VAL 8 HA VAL 8 1.027 14.265 -1.617 44 HB VAL 8 HB VAL 8 -1.104 15.242 -2.428 45 HG11 VAL 8 HG11 VAL 8 -0.846 12.285 -3.053 46 HG12 VAL 8 HG12 VAL 8 -1.592 13.534 -4.081 47 HG13 VAL 8 HG13 VAL 8 0.158 13.573 -3.759 48 HG21 VAL 8 HG21 VAL 8 -3.206 14.084 -2.140 49 HG22 VAL 8 HG22 VAL 8 -2.410 12.785 -1.222 50 HG23 VAL 8 HG23 VAL 8 -2.508 14.424 -0.537 51 H ARG 9 H ARG 9 0.709 13.733 1.347 52 HA ARG 9 HA ARG 9 -0.825 15.956 2.391 53 HB2 ARG 9 HB2 ARG 9 1.180 14.012 3.538 54 HB3 ARG 9 HB3 ARG 9 0.632 15.407 4.492 55 HG2 ARG 9 HG2 ARG 9 -1.310 13.478 3.224 56 HG3 ARG 9 HG3 ARG 9 -0.582 13.181 4.823 57 HD2 ARG 9 HD2 ARG 9 -1.605 15.066 5.771 58 HD3 ARG 9 HD3 ARG 9 -1.947 15.792 4.183 59 HE ARG 9 HE ARG 9 -3.353 13.358 4.277 60 HH11 ARG 9 HH11 ARG 9 -3.267 16.435 6.006 61 HH12 ARG 9 HH12 ARG 9 -4.981 16.381 6.434 62 HH21 ARG 9 HH21 ARG 9 -5.563 13.296 4.831 63 HH22 ARG 9 HH22 ARG 9 -6.275 14.611 5.772 64 H TYR 10 H TYR 10 0.520 17.367 4.126 65 HA TYR 10 HA TYR 10 2.994 18.384 2.852 66 HB2 TYR 10 HB2 TYR 10 2.229 20.646 2.675 67 HB3 TYR 10 HB3 TYR 10 1.012 19.629 1.875 68 HD1 TYR 10 HD1 TYR 10 1.738 21.663 4.867 69 HD2 TYR 10 HD2 TYR 10 -1.216 19.458 2.745 70 HE1 TYR 10 HE1 TYR 10 -0.010 22.648 6.290 71 HE2 TYR 10 HE2 TYR 10 -2.972 20.438 4.159 72 HH TYR 10 HH TYR 10 -3.455 22.002 5.692 73 H ASN 11 H ASN 11 4.204 19.855 4.211 74 HA ASN 11 HA ASN 11 3.479 19.520 7.097 75 HB2 ASN 11 HB2 ASN 11 5.391 18.161 6.760 76 HB3 ASN 11 HB3 ASN 11 6.160 19.358 5.692 77 HD21 ASN 11 HD21 ASN 11 7.700 20.545 6.529 78 HD22 ASN 11 HD22 ASN 11 7.930 20.866 8.283 79 H TYR 12 H TYR 12 3.744 21.242 8.475 80 HA TYR 12 HA TYR 12 3.696 23.856 7.194 81 HB2 TYR 12 HB2 TYR 12 3.562 22.922 10.076 82 HB3 TYR 12 HB3 TYR 12 3.580 24.644 9.634 83 HD1 TYR 12 HD2 TYR 12 1.777 25.312 7.809 84 HD2 TYR 12 HD1 TYR 12 1.515 21.881 10.311 85 HE1 TYR 12 HE2 TYR 12 -0.657 25.253 7.461 86 HE2 TYR 12 HE1 TYR 12 -0.920 21.811 9.971 87 HH TYR 12 HH TYR 12 -2.494 23.086 7.633 88 H THR 13 H THR 13 5.449 24.888 6.548 89 HA THR 13 HA THR 13 7.894 24.649 8.259 90 HB THR 13 HB THR 13 9.268 24.949 6.262 91 HG1 THR 13 HG1 THR 13 8.218 24.926 4.175 92 HG21 THR 13 HG21 THR 13 7.264 22.785 5.597 93 HG22 THR 13 HG22 THR 13 8.371 22.652 6.984 94 HG23 THR 13 HG23 THR 13 9.024 22.792 5.335 95 H GLU 14 H GLU 14 9.448 26.521 7.903 96 HA GLU 14 HA GLU 14 7.841 29.007 8.108 97 HB2 GLU 14 HB2 GLU 14 10.106 27.976 9.478 98 HB3 GLU 14 HB3 GLU 14 10.663 29.401 8.579 99 HG2 GLU 14 HG2 GLU 14 8.759 30.682 9.590 100 HG3 GLU 14 HG3 GLU 14 8.426 29.261 10.609 101 H LEU 15 H LEU 15 8.298 30.889 6.949 102 HA LEU 15 HA LEU 15 9.876 30.384 4.458 103 HB2 LEU 15 HB2 LEU 15 7.348 31.913 5.009 104 HB3 LEU 15 HB3 LEU 15 8.391 32.391 3.652 105 HG LEU 15 HG LEU 15 7.437 29.548 3.911 106 HD11 LEU 15 HD11 LEU 15 5.527 30.182 2.435 107 HD12 LEU 15 HD12 LEU 15 5.897 31.892 2.766 108 HD13 LEU 15 HD13 LEU 15 5.405 30.815 4.095 109 HD21 LEU 15 HD21 LEU 15 7.796 29.489 1.555 110 HD22 LEU 15 HD22 LEU 15 9.226 30.261 2.282 111 HD23 LEU 15 HD23 LEU 15 7.990 31.257 1.473 112 HA PRO 16 HA PRO 16 12.576 33.724 5.393 113 HB2 PRO 16 HB2 PRO 16 12.969 34.838 2.933 114 HB3 PRO 16 HB3 PRO 16 13.654 33.261 3.409 115 HG2 PRO 16 HG2 PRO 16 11.192 33.864 1.783 116 HG3 PRO 16 HG3 PRO 16 12.462 32.632 1.505 117 HD2 PRO 16 HD2 PRO 16 10.050 32.035 2.617 118 HD3 PRO 16 HD3 PRO 16 11.557 31.169 3.051 119 H ASN 17 H ASN 17 9.416 34.252 4.250 120 HA ASN 17 HA ASN 17 9.682 37.205 4.385 121 HB2 ASN 17 HB2 ASN 17 7.087 36.900 3.856 122 HB3 ASN 17 HB3 ASN 17 8.318 36.759 2.582 123 HD21 ASN 17 HD21 ASN 17 6.003 35.105 4.587 124 HD22 ASN 17 HD22 ASN 17 6.075 33.533 3.715 125 H GLY 18 H GLY 18 9.207 34.672 6.482 126 HA2 GLY 18 HA2 GLY 18 8.886 35.190 8.835 127 HA3 GLY 18 HA3 GLY 18 7.786 36.503 8.373 128 H GLU 19 H GLU 19 6.506 34.710 6.317 129 HA GLU 19 HA GLU 19 4.504 33.615 8.139 130 HB2 GLU 19 HB2 GLU 19 4.673 33.339 5.118 131 HB3 GLU 19 HB3 GLU 19 3.239 33.104 6.138 132 HG2 GLU 19 HG2 GLU 19 4.712 35.729 5.837 133 HG3 GLU 19 HG3 GLU 19 3.275 35.260 4.898 134 H TYR 20 H TYR 20 3.547 31.363 7.113 135 HA TYR 20 HA TYR 20 5.783 29.464 7.599 136 HB2 TYR 20 HB2 TYR 20 2.862 29.482 8.119 137 HB3 TYR 20 HB3 TYR 20 3.525 27.922 7.585 138 HD1 TYR 20 HD2 TYR 20 3.577 30.472 10.237 139 HD2 TYR 20 HD1 TYR 20 5.040 26.675 8.992 140 HE1 TYR 20 HE2 TYR 20 4.367 30.033 12.524 141 HE2 TYR 20 HE1 TYR 20 5.833 26.225 11.276 142 HH TYR 20 HH TYR 20 5.455 28.651 13.870 143 H CYS 21 H CYS 21 2.755 29.332 5.674 144 HA CYS 21 HA CYS 21 4.061 29.060 3.156 145 HB2 CYS 21 HB2 CYS 21 3.919 26.707 2.714 146 HB3 CYS 21 HB3 CYS 21 4.802 26.895 4.242 147 H TYR 22 H TYR 22 2.596 28.635 1.411 148 HA TYR 22 HA TYR 22 -0.156 29.398 2.155 149 HB2 TYR 22 HB2 TYR 22 1.423 29.288 -0.414 150 HB3 TYR 22 HB3 TYR 22 -0.350 29.377 -0.465 151 HD1 TYR 22 HD2 TYR 22 -1.010 31.190 1.701 152 HD2 TYR 22 HD1 TYR 22 2.232 31.361 -1.047 153 HE1 TYR 22 HE2 TYR 22 -0.900 33.629 1.993 154 HE2 TYR 22 HE1 TYR 22 2.353 33.801 -0.763 155 HH TYR 22 HH TYR 22 0.108 35.515 1.426 156 H THR 23 H THR 23 -1.758 28.012 2.392 157 HA THR 23 HA THR 23 -1.529 25.244 2.232 158 HB THR 23 HB THR 23 -4.176 25.525 1.658 159 HG1 THR 23 HG1 THR 23 -4.830 27.521 2.679 160 HG21 THR 23 HG21 THR 23 -3.707 24.466 3.651 161 HG22 THR 23 HG22 THR 23 -4.326 26.019 4.259 162 HG23 THR 23 HG23 THR 23 -2.571 25.730 4.182 163 HA PRO 24 HA PRO 24 -1.732 23.963 -1.968 164 HB2 PRO 24 HB2 PRO 24 -3.384 21.797 -1.847 165 HB3 PRO 24 HB3 PRO 24 -1.720 21.789 -1.204 166 HG2 PRO 24 HG2 PRO 24 -4.332 22.153 0.251 167 HG3 PRO 24 HG3 PRO 24 -2.904 21.179 0.713 168 HD2 PRO 24 HD2 PRO 24 -3.414 23.633 1.773 169 HD3 PRO 24 HD3 PRO 24 -1.752 23.016 1.517 170 H ARG 25 H ARG 25 -3.012 23.838 -3.870 171 HA ARG 25 HA ARG 25 -4.746 24.454 -5.244 172 HB2 ARG 25 HB2 ARG 25 -6.599 24.304 -2.849 173 HB3 ARG 25 HB3 ARG 25 -6.999 24.073 -4.563 174 HG2 ARG 25 HG2 ARG 25 -5.694 22.000 -4.596 175 HG3 ARG 25 HG3 ARG 25 -5.281 22.232 -2.879 176 HD2 ARG 25 HD2 ARG 25 -8.151 22.153 -3.798 177 HD3 ARG 25 HD3 ARG 25 -7.243 20.654 -3.493 178 HE ARG 25 HE ARG 25 -7.074 22.551 -1.296 179 HH11 ARG 25 HH11 ARG 25 -9.015 20.015 -2.803 180 HH12 ARG 25 HH12 ARG 25 -9.832 19.578 -1.298 181 HH21 ARG 25 HH21 ARG 25 -8.131 21.981 0.642 182 HH22 ARG 25 HH22 ARG 25 -9.333 20.685 0.644 183 H ARG 26 H ARG 26 -3.279 26.364 -3.346 184 HA ARG 26 HA ARG 26 -5.253 28.606 -3.523 185 HB2 ARG 26 HB2 ARG 26 -3.773 27.731 -1.336 186 HB3 ARG 26 HB3 ARG 26 -2.835 29.113 -1.937 187 HG2 ARG 26 HG2 ARG 26 -5.690 29.684 -1.840 188 HG3 ARG 26 HG3 ARG 26 -5.036 29.205 -0.254 189 HD2 ARG 26 HD2 ARG 26 -3.576 31.000 -0.166 190 HD3 ARG 26 HD3 ARG 26 -3.544 31.193 -1.935 191 HE ARG 26 HE ARG 26 -6.171 31.725 -0.881 192 HH11 ARG 26 HH11 ARG 26 -2.923 33.068 -1.214 193 HH12 ARG 26 HH12 ARG 26 -3.479 34.743 -1.170 194 HH21 ARG 26 HH21 ARG 26 -6.883 33.890 -0.825 195 HH22 ARG 26 HH22 ARG 26 -5.712 35.208 -0.948 196 H ARG 27 H ARG 27 -4.667 30.553 -4.446 197 HA ARG 27 HA ARG 27 -2.756 30.380 -6.580 198 HB2 ARG 27 HB2 ARG 27 -4.728 31.821 -6.711 199 HB3 ARG 27 HB3 ARG 27 -4.140 32.791 -5.346 200 HG2 ARG 27 HG2 ARG 27 -2.193 33.476 -6.696 201 HG3 ARG 27 HG3 ARG 27 -2.833 32.539 -8.068 202 HD2 ARG 27 HD2 ARG 27 -4.771 33.941 -8.213 203 HD3 ARG 27 HD3 ARG 27 -4.360 34.764 -6.689 204 HE ARG 27 HE ARG 27 -2.170 35.268 -8.246 205 HH11 ARG 27 HH11 ARG 27 -5.648 35.606 -8.744 206 HH12 ARG 27 HH12 ARG 27 -5.480 36.986 -9.836 207 HH21 ARG 27 HH21 ARG 27 -1.960 37.048 -9.655 208 HH22 ARG 27 HH22 ARG 27 -3.402 37.797 -10.350 209 H CYS 28 H CYS 28 -0.629 30.555 -6.527 210 HA CYS 28 HA CYS 28 0.566 32.317 -4.432 211 HB2 CYS 28 HB2 CYS 28 2.491 30.618 -4.395 212 HB3 CYS 28 HB3 CYS 28 0.983 30.141 -3.586 213 H THR 29 H THR 29 2.825 32.963 -4.930 214 HA THR 29 HA THR 29 3.057 33.417 -7.873 215 HB THR 29 HB THR 29 4.441 35.361 -7.335 216 HG1 THR 29 HG1 THR 29 4.667 35.968 -5.089 217 HG21 THR 29 HG21 THR 29 2.157 35.918 -7.503 218 HG22 THR 29 HG22 THR 29 2.689 36.670 -5.978 219 HG23 THR 29 HG23 THR 29 1.765 35.150 -5.947 220 H SER 30 H SER 30 4.790 32.375 -4.962 221 HA SER 30 HA SER 30 6.991 31.427 -6.759 222 HB2 SER 30 HB2 SER 30 7.371 32.019 -3.814 223 HB3 SER 30 HB3 SER 30 8.596 31.910 -5.101 224 HG SER 30 HG SER 30 6.875 34.025 -4.408 225 H ALA 31 H ALA 31 7.783 29.374 -6.483 226 HA ALA 31 HA ALA 31 5.958 27.441 -5.421 227 HB1 ALA 31 HB1 ALA 31 8.884 27.095 -6.141 228 HB2 ALA 31 HB2 ALA 31 7.676 25.799 -5.958 229 HB3 ALA 31 HB3 ALA 31 7.516 26.985 -7.274 230 H ASP 32 H ASP 32 8.902 28.955 -4.151 231 HA ASP 32 HA ASP 32 9.398 27.255 -1.971 232 HB2 ASP 32 HB2 ASP 32 10.755 29.270 -2.783 233 HB3 ASP 32 HB3 ASP 32 9.635 30.278 -1.838 234 H GLN 33 H GLN 33 7.011 29.848 -2.339 235 HA GLN 33 HA GLN 33 6.225 29.926 0.421 236 HB2 GLN 33 HB2 GLN 33 4.787 30.692 -2.140 237 HB3 GLN 33 HB3 GLN 33 4.109 30.969 -0.523 238 HG2 GLN 33 HG2 GLN 33 5.540 32.668 -0.055 239 HG3 GLN 33 HG3 GLN 33 6.859 31.979 -1.029 240 HE21 GLN 33 HE21 GLN 33 3.486 32.720 -1.895 241 HE22 GLN 33 HE22 GLN 33 3.903 33.897 -3.189 242 H CYS 34 H CYS 34 5.041 28.104 -2.405 243 HA CYS 34 HA CYS 34 2.748 26.958 -1.280 244 HB2 CYS 34 HB2 CYS 34 3.255 26.630 -3.608 245 HB3 CYS 34 HB3 CYS 34 4.777 25.802 -3.223 246 H CYS 35 H CYS 35 2.341 25.621 0.341 247 HA CYS 35 HA CYS 35 4.267 24.756 2.168 248 HB2 CYS 35 HB2 CYS 35 1.588 23.477 1.495 249 HB3 CYS 35 HB3 CYS 35 2.538 23.130 2.956 250 H ARG 36 H ARG 36 5.672 23.123 2.351 251 HA ARG 36 HA ARG 36 6.108 21.444 0.003 252 HB2 ARG 36 HB2 ARG 36 7.519 22.024 2.566 253 HB3 ARG 36 HB3 ARG 36 7.830 20.438 1.830 254 HG2 ARG 36 HG2 ARG 36 8.428 21.611 -0.291 255 HG3 ARG 36 HG3 ARG 36 8.266 23.159 0.576 256 HD2 ARG 36 HD2 ARG 36 9.909 21.929 2.279 257 HD3 ARG 36 HD3 ARG 36 10.349 21.031 0.806 258 HE ARG 36 HE ARG 36 10.309 23.914 0.418 259 HH11 ARG 36 HH11 ARG 36 12.197 21.159 1.565 260 HH12 ARG 36 HH12 ARG 36 13.751 21.953 1.283 261 HH21 ARG 36 HH21 ARG 36 12.318 24.932 0.058 262 HH22 ARG 36 HH22 ARG 36 13.819 24.081 0.435 263 HA PRO 37 HA PRO 37 4.023 17.764 1.196 264 HB2 PRO 37 HB2 PRO 37 5.783 15.826 0.432 265 HB3 PRO 37 HB3 PRO 37 4.842 16.800 -0.729 266 HG2 PRO 37 HG2 PRO 37 7.697 17.126 0.169 267 HG3 PRO 37 HG3 PRO 37 7.006 17.249 -1.477 268 HD2 PRO 37 HD2 PRO 37 7.601 19.431 0.034 269 HD3 PRO 37 HD3 PRO 37 6.243 19.403 -1.135 270 H TYR 38 H TYR 38 3.797 16.293 2.839 271 HA TYR 38 HA TYR 38 5.251 16.703 5.216 272 HB2 TYR 38 HB2 TYR 38 2.961 15.545 4.816 273 HB3 TYR 38 HB3 TYR 38 3.916 14.065 4.576 274 HD1 TYR 38 HD2 TYR 38 5.649 13.551 6.497 275 HD2 TYR 38 HD1 TYR 38 2.240 16.055 6.950 276 HE1 TYR 38 HE2 TYR 38 5.719 13.198 8.930 277 HE2 TYR 38 HE1 TYR 38 2.302 15.710 9.384 278 HH TYR 38 HH TYR 38 4.799 13.643 10.891 279 H ASP 39 H ASP 39 5.822 14.497 2.530 280 HA ASP 39 HA ASP 39 8.336 13.645 3.913 281 HB2 ASP 39 HB2 ASP 39 8.024 11.506 2.438 282 HB3 ASP 39 HB3 ASP 39 7.101 11.663 3.949 283 H THR 40 H THR 40 9.604 15.180 2.898 284 HA THR 40 HA THR 40 9.517 15.825 0.145 285 HB THR 40 HB THR 40 12.117 16.253 0.620 286 HG1 THR 40 HG1 THR 40 12.370 16.659 2.908 287 HG21 THR 40 HG21 THR 40 10.444 18.064 2.248 288 HG22 THR 40 HG22 THR 40 9.851 17.782 0.594 289 HG23 THR 40 HG23 THR 40 11.495 18.413 0.854 290 H THR 41 H THR 41 10.786 13.037 1.793 291 HA THR 41 HA THR 41 12.532 12.232 -0.410 292 HB THR 41 HB THR 41 12.868 10.169 0.841 293 HG1 THR 41 HG1 THR 41 11.677 9.855 2.826 294 HG21 THR 41 HG21 THR 41 14.017 12.283 1.566 295 HG22 THR 41 HG22 THR 41 13.829 11.070 2.857 296 HG23 THR 41 HG23 THR 41 12.749 12.486 2.798 297 H ALA 42 H ALA 42 9.189 12.117 0.209 298 HA ALA 42 HA ALA 42 8.885 10.120 -1.987 299 HB1 ALA 42 HB1 ALA 42 8.273 8.757 -0.231 300 HB2 ALA 42 HB2 ALA 42 7.608 10.103 0.727 301 HB3 ALA 42 HB3 ALA 42 6.705 9.474 -0.673 302 H ALA 43 H ALA 43 8.835 13.106 -1.816 303 HA ALA 43 HA ALA 43 6.642 13.550 -3.566 304 HB1 ALA 43 HB1 ALA 43 6.129 14.193 -0.667 305 HB2 ALA 43 HB2 ALA 43 5.342 15.111 -1.972 306 HB3 ALA 43 HB3 ALA 43 5.081 13.355 -1.837 307 H PHE 44 H PHE 44 6.309 15.886 -4.051 308 HA PHE 44 HA PHE 44 8.596 17.565 -3.152 309 HB2 PHE 44 HB2 PHE 44 8.965 18.305 -5.511 310 HB3 PHE 44 HB3 PHE 44 9.347 16.588 -5.248 311 HD1 PHE 44 HD2 PHE 44 7.729 14.854 -6.021 312 HD2 PHE 44 HD1 PHE 44 7.317 18.961 -7.055 313 HE1 PHE 44 HE2 PHE 44 6.224 14.234 -7.866 314 HE2 PHE 44 HE1 PHE 44 5.809 18.348 -8.900 315 HZ PHE 44 HZ PHE 44 5.259 15.983 -9.308 316 H HIS 45 H HIS 45 8.333 19.876 -3.997 317 HA HIS 45 HA HIS 45 5.423 20.570 -3.878 318 HB2 HIS 45 HB2 HIS 45 5.946 22.506 -2.585 319 HB3 HIS 45 HB3 HIS 45 6.833 21.159 -1.839 320 HD2 HIS 45 HD2 HIS 45 7.509 24.594 -3.430 321 HE1 HIS 45 HE1 HIS 45 11.272 22.783 -2.683 322 HE2 HIS 45 HE2 HIS 45 10.091 24.938 -3.347 323 H GLY 46 H GLY 46 4.987 22.844 -4.740 324 HA2 GLY 46 HA2 GLY 46 6.650 24.195 -6.525 325 HA3 GLY 46 HA3 GLY 46 5.932 22.886 -7.483 326 H CYS 47 H CYS 47 5.661 25.912 -7.479 327 HA CYS 47 HA CYS 47 2.717 26.063 -7.011 328 HB2 CYS 47 HB2 CYS 47 4.044 27.762 -5.840 329 HB3 CYS 47 HB3 CYS 47 4.785 28.268 -7.373 330 H GLY 48 H GLY 48 1.408 25.920 -8.694 331 HA2 GLY 48 HA2 GLY 48 1.633 27.390 -11.073 332 HA3 GLY 48 HA3 GLY 48 2.447 25.843 -11.390 333 H ARG 49 H ARG 49 0.814 25.506 -13.021 334 HA ARG 49 HA ARG 49 -1.805 24.689 -11.825 335 HB2 ARG 49 HB2 ARG 49 -1.192 25.453 -14.704 336 HB3 ARG 49 HB3 ARG 49 -2.785 25.032 -14.045 337 HG2 ARG 49 HG2 ARG 49 -3.081 27.063 -13.092 338 HG3 ARG 49 HG3 ARG 49 -1.353 27.253 -12.699 339 HD2 ARG 49 HD2 ARG 49 -1.227 27.354 -15.393 340 HD3 ARG 49 HD3 ARG 49 -2.865 28.007 -15.145 341 HE ARG 49 HE ARG 49 -1.949 29.947 -14.295 342 HH11 ARG 49 HH11 ARG 49 0.472 27.377 -14.325 343 HH12 ARG 49 HH12 ARG 49 1.796 28.454 -13.867 344 HH21 ARG 49 HH21 ARG 49 -0.234 31.330 -13.704 345 HH22 ARG 49 HH22 ARG 49 1.398 30.683 -13.516 346 H ILE 50 H ILE 50 -2.028 22.579 -11.589 347 HA ILE 50 HA ILE 50 -0.587 20.810 -13.523 348 HB ILE 50 HB ILE 50 -0.911 19.028 -11.761 349 HG12 ILE 50 HG12 ILE 50 -1.451 21.351 -9.886 350 HG13 ILE 50 HG13 ILE 50 -2.764 20.392 -10.605 351 HG21 ILE 50 HG21 ILE 50 1.261 19.745 -11.788 352 HG22 ILE 50 HG22 ILE 50 0.823 21.445 -11.496 353 HG23 ILE 50 HG23 ILE 50 0.806 20.278 -10.151 354 HD11 ILE 50 HD11 ILE 50 -2.087 19.707 -8.298 355 HD12 ILE 50 HD12 ILE 50 -2.012 18.408 -9.513 356 HD13 ILE 50 HD13 ILE 50 -0.518 19.207 -8.968 357 H TRP 51 H TRP 51 -3.676 21.723 -12.193 358 HA TRP 51 HA TRP 51 -4.983 19.409 -13.527 359 HB2 TRP 51 HB2 TRP 51 -6.001 21.517 -11.589 360 HB3 TRP 51 HB3 TRP 51 -7.057 20.326 -12.384 361 HD1 TRP 51 HD1 TRP 51 -5.097 20.795 -9.311 362 HE1 TRP 51 HE1 TRP 51 -4.795 18.563 -8.017 363 HE3 TRP 51 HE3 TRP 51 -6.567 17.584 -13.008 364 HZ2 TRP 51 HZ2 TRP 51 -5.156 15.811 -8.566 365 HZ3 TRP 51 HZ3 TRP 51 -6.559 15.167 -12.542 366 HH2 TRP 51 HH2 TRP 51 -5.868 14.301 -10.368 367 HA PRO 52 HA PRO 52 -6.390 21.723 -16.989 368 HB2 PRO 52 HB2 PRO 52 -8.848 20.617 -17.411 369 HB3 PRO 52 HB3 PRO 52 -7.323 19.764 -17.766 370 HG2 PRO 52 HG2 PRO 52 -9.137 19.530 -15.372 371 HG3 PRO 52 HG3 PRO 52 -8.318 18.240 -16.304 372 HD2 PRO 52 HD2 PRO 52 -7.373 19.159 -13.923 373 HD3 PRO 52 HD3 PRO 52 -6.297 18.570 -15.229 374 H LYS 53 H LYS 53 -8.487 21.516 -14.148 375 HA LYS 53 HA LYS 53 -10.370 23.512 -14.950 376 HB2 LYS 53 HB2 LYS 53 -9.559 22.192 -12.401 377 HB3 LYS 53 HB3 LYS 53 -10.408 23.744 -12.256 378 HG2 LYS 53 HG2 LYS 53 -12.104 22.654 -13.924 379 HG3 LYS 53 HG3 LYS 53 -11.377 21.129 -13.360 380 HD2 LYS 53 HD2 LYS 53 -13.291 21.572 -11.989 381 HD3 LYS 53 HD3 LYS 53 -11.840 21.883 -11.005 382 HE2 LYS 53 HE2 LYS 53 -12.175 24.158 -10.979 383 HE3 LYS 53 HE3 LYS 53 -13.049 24.157 -12.529 384 HZ1 LYS 53 HZ1 LYS 53 -14.963 23.225 -11.444 385 HZ2 LYS 53 HZ2 LYS 53 -14.489 24.613 -10.600 386 HZ3 LYS 53 HZ3 LYS 53 -14.138 23.081 -9.974 387 H ASP 54 H ASP 54 -7.365 23.693 -13.018 388 HA ASP 54 HA ASP 54 -7.576 26.537 -12.588 389 HB2 ASP 54 HB2 ASP 54 -5.230 24.612 -12.420 390 HB3 ASP 54 HB3 ASP 54 -5.136 26.324 -11.953 391 H LYS 55 H LYS 55 -6.291 24.519 -15.146 392 HA LYS 55 HA LYS 55 -4.586 26.467 -16.362 393 HB2 LYS 55 HB2 LYS 55 -4.386 24.144 -16.968 394 HB3 LYS 55 HB3 LYS 55 -6.078 24.077 -17.495 395 HG2 LYS 55 HG2 LYS 55 -4.705 26.149 -18.941 396 HG3 LYS 55 HG3 LYS 55 -3.786 24.626 -19.046 397 HD2 LYS 55 HD2 LYS 55 -5.429 23.556 -20.214 398 HD3 LYS 55 HD3 LYS 55 -6.739 24.464 -19.418 399 HE2 LYS 55 HE2 LYS 55 -6.849 25.879 -21.134 400 HE3 LYS 55 HE3 LYS 55 -5.122 26.271 -20.963 401 HZ1 LYS 55 HZ1 LYS 55 -6.009 25.232 -23.155 402 HZ2 LYS 55 HZ2 LYS 55 -5.918 23.771 -22.308 403 HZ3 LYS 55 HZ3 LYS 55 -4.527 24.711 -22.523 404 H ARG 56 H ARG 56 -8.053 25.809 -16.587 405 HA ARG 56 HA ARG 56 -8.612 27.357 -18.896 406 HB2 ARG 56 HB2 ARG 56 -10.361 26.950 -16.442 407 HB3 ARG 56 HB3 ARG 56 -10.914 27.461 -18.050 408 HG2 ARG 56 HG2 ARG 56 -9.386 24.928 -17.965 409 HG3 ARG 56 HG3 ARG 56 -10.973 24.910 -17.156 410 HD2 ARG 56 HD2 ARG 56 -11.810 26.058 -19.342 411 HD3 ARG 56 HD3 ARG 56 -10.303 25.421 -20.045 412 HE ARG 56 HE ARG 56 -12.697 23.929 -19.344 413 HH11 ARG 56 HH11 ARG 56 -9.189 23.778 -19.717 414 HH12 ARG 56 HH12 ARG 56 -9.175 22.039 -20.032 415 HH21 ARG 56 HH21 ARG 56 -12.671 21.686 -19.753 416 HH22 ARG 56 HH22 ARG 56 -11.140 20.860 -20.052 417 H GLU 57 H GLU 57 -8.304 28.266 -15.471 418 HA GLU 57 HA GLU 57 -8.961 31.069 -16.113 419 HB2 GLU 57 HB2 GLU 57 -8.514 29.463 -13.625 420 HB3 GLU 57 HB3 GLU 57 -8.194 31.206 -13.547 421 HG2 GLU 57 HG2 GLU 57 -10.709 30.722 -14.867 422 HG3 GLU 57 HG3 GLU 57 -10.663 29.884 -13.298 423 H LYS 58 H LYS 58 -6.210 29.027 -15.931 424 HA LYS 58 HA LYS 58 -3.962 29.442 -16.115 425 HB2 LYS 58 HB2 LYS 58 -4.963 32.125 -17.137 426 HB3 LYS 58 HB3 LYS 58 -3.279 31.575 -17.243 427 HG2 LYS 58 HG2 LYS 58 -5.664 30.216 -18.521 428 HG3 LYS 58 HG3 LYS 58 -4.484 31.257 -19.352 429 HD2 LYS 58 HD2 LYS 58 -3.867 28.645 -17.934 430 HD3 LYS 58 HD3 LYS 58 -3.991 28.873 -19.695 431 HE2 LYS 58 HE2 LYS 58 -1.954 30.085 -17.807 432 HE3 LYS 58 HE3 LYS 58 -1.665 28.890 -19.095 433 HZ1 LYS 58 HZ1 LYS 58 -1.066 30.779 -20.177 434 HZ2 LYS 58 HZ2 LYS 58 -2.106 31.780 -19.294 435 HZ3 LYS 58 HZ3 LYS 58 -2.718 30.815 -20.543 436 H VAL 59 H VAL 59 -4.376 29.413 -13.633 437 HA VAL 59 HA VAL 59 -2.976 31.820 -12.576 438 HB VAL 59 HB VAL 59 -5.278 32.232 -11.994 439 HG11 VAL 59 HG11 VAL 59 -6.733 30.564 -11.768 440 HG12 VAL 59 HG12 VAL 59 -5.405 29.378 -11.798 441 HG13 VAL 59 HG13 VAL 59 -5.935 30.083 -10.252 442 HG21 VAL 59 HG21 VAL 59 -3.239 32.174 -10.204 443 HG22 VAL 59 HG22 VAL 59 -4.871 32.783 -9.838 444 HG23 VAL 59 HG23 VAL 59 -4.419 31.121 -9.387 445 H ASP 60 H ASP 60 -1.138 31.161 -11.714 446 HA ASP 60 HA ASP 60 -0.500 28.466 -11.155 447 HB2 ASP 60 HB2 ASP 60 1.345 29.569 -9.680 448 HB3 ASP 60 HB3 ASP 60 1.337 29.893 -11.428 449 H ARG 61 H ARG 61 -0.785 27.126 -9.487 450 HA ARG 61 HA ARG 61 -1.695 28.302 -6.904 451 HB2 ARG 61 HB2 ARG 61 -2.993 25.932 -8.302 452 HB3 ARG 61 HB3 ARG 61 -3.407 26.540 -6.687 453 HG2 ARG 61 HG2 ARG 61 -3.530 28.652 -8.673 454 HG3 ARG 61 HG3 ARG 61 -4.563 27.271 -9.118 455 HD2 ARG 61 HD2 ARG 61 -4.643 28.205 -6.285 456 HD3 ARG 61 HD3 ARG 61 -5.394 29.249 -7.516 457 HE ARG 61 HE ARG 61 -6.181 26.440 -7.686 458 HH11 ARG 61 HH11 ARG 61 -6.819 29.595 -6.234 459 HH12 ARG 61 HH12 ARG 61 -8.514 29.231 -5.896 460 HH21 ARG 61 HH21 ARG 61 -8.371 25.978 -7.244 461 HH22 ARG 61 HH22 ARG 61 -9.388 27.192 -6.463 462 H CYS 62 H CYS 62 -1.309 27.007 -5.050 463 HA CYS 62 HA CYS 62 1.157 25.518 -5.229 464 HB2 CYS 62 HB2 CYS 62 0.678 26.770 -3.225 465 HB3 CYS 62 HB3 CYS 62 -0.854 25.902 -2.982 466 H TYR 63 H TYR 63 1.535 23.421 -5.509 467 HA TYR 63 HA TYR 63 -0.710 21.517 -5.055 468 HB2 TYR 63 HB2 TYR 63 -0.290 20.385 -7.166 469 HB3 TYR 63 HB3 TYR 63 -0.638 22.100 -7.480 470 HD1 TYR 63 HD2 TYR 63 2.047 19.557 -7.348 471 HD2 TYR 63 HD1 TYR 63 0.992 23.516 -8.488 472 HE1 TYR 63 HE2 TYR 63 4.145 19.742 -8.617 473 HE2 TYR 63 HE1 TYR 63 3.085 23.715 -9.763 474 HH TYR 63 HH TYR 63 5.424 21.014 -9.898 475 H ILE 64 H ILE 64 -0.033 19.279 -4.856 476 HA ILE 64 HA ILE 64 2.864 18.885 -4.371 477 HB ILE 64 HB ILE 64 0.748 18.341 -2.262 478 HG12 ILE 64 HG12 ILE 64 3.157 20.205 -2.234 479 HG13 ILE 64 HG13 ILE 64 1.470 20.717 -2.448 480 HG21 ILE 64 HG21 ILE 64 3.715 17.718 -2.305 481 HG22 ILE 64 HG22 ILE 64 2.660 17.571 -0.880 482 HG23 ILE 64 HG23 ILE 64 2.375 16.546 -2.307 483 HD11 ILE 64 HD11 ILE 64 1.284 19.302 -0.140 484 HD12 ILE 64 HD12 ILE 64 2.936 19.954 -0.011 485 HD13 ILE 64 HD13 ILE 64 1.558 21.057 -0.234 486 H CYS 65 H CYS 65 3.456 17.094 -5.369 487 HA CYS 65 HA CYS 65 1.442 14.886 -5.545 488 HB2 CYS 65 HB2 CYS 65 3.564 15.714 -7.563 489 HB3 CYS 65 HB3 CYS 65 2.562 14.253 -7.692 490 H ASN 66 H ASN 66 2.237 12.730 -5.505 491 HA ASN 66 HA ASN 66 4.378 12.383 -3.603 492 HB2 ASN 66 HB2 ASN 66 3.970 9.977 -3.911 493 HB3 ASN 66 HB3 ASN 66 2.440 10.859 -3.724 494 HD21 ASN 66 HD21 ASN 66 2.488 8.335 -4.774 495 HD22 ASN 66 HD22 ASN 66 2.089 8.419 -6.525 496 H ASN 67 H ASN 67 6.179 10.772 -3.990 497 HA ASN 67 HA ASN 67 7.920 11.807 -5.976 498 HB2 ASN 67 HB2 ASN 67 9.423 10.003 -5.368 499 HB3 ASN 67 HB3 ASN 67 8.615 10.586 -3.897 500 HD21 ASN 67 HD21 ASN 67 9.890 7.978 -4.710 501 HD22 ASN 67 HD22 ASN 67 8.632 6.750 -4.332 502 H GLU 68 H GLU 68 5.558 9.217 -6.069 503 HA GLU 68 HA GLU 68 6.596 8.074 -8.546 504 HB2 GLU 68 HB2 GLU 68 3.811 7.696 -7.410 505 HB3 GLU 68 HB3 GLU 68 4.730 6.595 -8.454 506 HG2 GLU 68 HG2 GLU 68 6.415 6.539 -6.464 507 HG3 GLU 68 HG3 GLU 68 5.031 7.138 -5.520 508 H LYS 69 H LYS 69 4.878 10.864 -7.772 509 HA LYS 69 HA LYS 69 3.642 12.358 -9.007 510 HB2 LYS 69 HB2 LYS 69 5.398 11.052 -11.087 511 HB3 LYS 69 HB3 LYS 69 4.204 12.273 -11.567 512 HG2 LYS 69 HG2 LYS 69 5.239 13.874 -9.995 513 HG3 LYS 69 HG3 LYS 69 6.468 12.650 -9.593 514 HD2 LYS 69 HD2 LYS 69 7.658 13.615 -11.244 515 HD3 LYS 69 HD3 LYS 69 6.598 12.680 -12.326 516 HE2 LYS 69 HE2 LYS 69 5.025 14.809 -11.985 517 HE3 LYS 69 HE3 LYS 69 6.592 15.593 -11.670 518 HZ1 LYS 69 HZ1 LYS 69 7.336 14.553 -13.834 519 HZ2 LYS 69 HZ2 LYS 69 6.208 15.809 -13.963 520 HZ3 LYS 69 HZ3 LYS 69 5.709 14.201 -14.138 521 H THR 70 H THR 70 2.413 9.802 -8.413 522 HA THR 70 HA THR 70 0.685 9.436 -10.821 523 HB THR 70 HB THR 70 0.009 7.310 -9.904 524 HG1 THR 70 HG1 THR 70 -0.087 7.569 -7.725 525 HG21 THR 70 HG21 THR 70 2.649 7.931 -10.646 526 HG22 THR 70 HG22 THR 70 1.875 6.329 -10.656 527 HG23 THR 70 HG23 THR 70 2.794 6.864 -9.229 528 H LEU 71 H LEU 71 0.700 10.224 -7.375 529 HA LEU 71 HA LEU 71 -2.214 10.868 -7.619 530 HB2 LEU 71 HB2 LEU 71 -1.278 9.045 -5.952 531 HB3 LEU 71 HB3 LEU 71 -0.875 10.470 -4.968 532 HG LEU 71 HG LEU 71 -3.671 10.148 -6.006 533 HD11 LEU 71 HD11 LEU 71 -3.536 8.031 -5.090 534 HD12 LEU 71 HD12 LEU 71 -4.053 9.003 -3.690 535 HD13 LEU 71 HD13 LEU 71 -2.348 8.522 -3.857 536 HD21 LEU 71 HD21 LEU 71 -2.907 12.219 -4.856 537 HD22 LEU 71 HD22 LEU 71 -2.550 11.242 -3.410 538 HD23 LEU 71 HD23 LEU 71 -4.224 11.378 -4.003 539 H CYS 72 H CYS 72 -2.848 12.904 -7.292 540 HA CYS 72 HA CYS 72 -0.932 14.751 -5.943 541 HB2 CYS 72 HB2 CYS 72 -2.428 15.315 -8.532 542 HB3 CYS 72 HB3 CYS 72 -1.447 16.489 -7.631 543 H THR 73 H THR 73 -1.928 16.763 -5.187 544 HA THR 73 HA THR 73 -4.194 16.302 -3.613 545 HB THR 73 HB THR 73 -4.377 18.986 -3.895 546 HG1 THR 73 HG1 THR 73 -2.214 19.758 -4.328 547 HG21 THR 73 HG21 THR 73 -3.278 19.091 -1.892 548 HG22 THR 73 HG22 THR 73 -1.945 18.049 -2.443 549 HG23 THR 73 HG23 THR 73 -3.505 17.328 -1.981 550 H SER 74 H SER 74 -6.373 16.792 -3.733 551 HA SER 74 HA SER 74 -7.648 16.357 -6.203 552 HB2 SER 74 HB2 SER 74 -8.743 16.064 -4.004 553 HB3 SER 74 HB3 SER 74 -8.743 17.826 -3.769 554 HG SER 74 HG SER 74 -10.758 17.034 -4.582 555 H VAL 75 H VAL 75 -8.898 17.712 -7.574 556 HA VAL 75 HA VAL 75 -7.541 20.196 -8.193 557 HB VAL 75 HB VAL 75 -8.495 18.788 -9.961 558 HG11 VAL 75 HG11 VAL 75 -11.285 19.635 -9.401 559 HG12 VAL 75 HG12 VAL 75 -10.657 18.114 -10.086 560 HG13 VAL 75 HG13 VAL 75 -10.607 18.387 -8.327 561 HG21 VAL 75 HG21 VAL 75 -10.107 21.331 -9.986 562 HG22 VAL 75 HG22 VAL 75 -8.330 21.380 -10.064 563 HG23 VAL 75 HG23 VAL 75 -9.251 20.524 -11.322 564 H MET 76 H MET 76 -10.332 19.295 -6.314 565 HA MET 76 HA MET 76 -10.932 22.203 -5.950 566 HB2 MET 76 HB2 MET 76 -12.808 19.820 -6.030 567 HB3 MET 76 HB3 MET 76 -13.280 21.387 -5.343 568 HG2 MET 76 HG2 MET 76 -12.817 22.461 -7.510 569 HG3 MET 76 HG3 MET 76 -12.389 20.874 -8.190 570 HE1 MET 76 HE1 MET 76 -16.277 22.919 -7.967 571 HE2 MET 76 HE2 MET 76 -15.906 22.469 -6.285 572 HE3 MET 76 HE3 MET 76 -14.725 23.400 -7.238 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 4.056 -1.073 1.044 2 H2 GLY 1 H2 GLY 1 4.427 -0.037 -0.249 3 H3 GLY 1 H3 GLY 1 4.646 0.489 1.350 4 HA2 GLY 1 HA2 GLY 1 2.024 -0.370 1.068 5 HA3 GLY 1 HA3 GLY 1 2.638 1.251 1.446 6 H THR 2 H THR 2 0.650 1.850 0.232 7 HA THR 2 HA THR 2 1.321 1.996 -2.680 8 HB THR 2 HB THR 2 -1.341 2.174 -2.839 9 HG1 THR 2 HG1 THR 2 -2.264 0.628 -1.350 10 HG21 THR 2 HG21 THR 2 0.540 -0.136 -2.920 11 HG22 THR 2 HG22 THR 2 -0.495 0.546 -4.198 12 HG23 THR 2 HG23 THR 2 -1.200 -0.508 -2.947 13 HA PRO 3 HA PRO 3 0.733 6.345 -2.414 14 HB2 PRO 3 HB2 PRO 3 -0.465 6.905 -4.798 15 HB3 PRO 3 HB3 PRO 3 1.252 6.443 -4.659 16 HG2 PRO 3 HG2 PRO 3 -1.128 4.758 -5.411 17 HG3 PRO 3 HG3 PRO 3 0.505 4.804 -6.141 18 HD2 PRO 3 HD2 PRO 3 -0.267 2.874 -4.385 19 HD3 PRO 3 HD3 PRO 3 1.419 3.469 -4.489 20 H SER 4 H SER 4 -0.659 7.646 -1.407 21 HA SER 4 HA SER 4 -3.542 7.433 -2.011 22 HB2 SER 4 HB2 SER 4 -2.432 7.023 0.797 23 HB3 SER 4 HB3 SER 4 -4.153 7.214 0.385 24 HG SER 4 HG SER 4 -3.526 4.998 0.593 25 H ALA 5 H ALA 5 -4.733 9.055 -0.397 26 HA ALA 5 HA ALA 5 -3.871 11.639 -1.115 27 HB1 ALA 5 HB1 ALA 5 -6.165 10.938 -0.337 28 HB2 ALA 5 HB2 ALA 5 -5.538 10.995 1.328 29 HB3 ALA 5 HB3 ALA 5 -5.568 12.474 0.335 30 H ASP 6 H ASP 6 -2.896 9.591 1.532 31 HA ASP 6 HA ASP 6 -1.855 11.668 3.231 32 HB2 ASP 6 HB2 ASP 6 -2.371 9.229 3.840 33 HB3 ASP 6 HB3 ASP 6 -0.816 8.823 3.081 34 H GLN 7 H GLN 7 -0.685 10.060 0.365 35 HA GLN 7 HA GLN 7 2.108 10.719 0.789 36 HB2 GLN 7 HB2 GLN 7 0.487 9.808 -1.599 37 HB3 GLN 7 HB3 GLN 7 2.204 10.234 -1.747 38 HG2 GLN 7 HG2 GLN 7 1.035 8.078 0.029 39 HG3 GLN 7 HG3 GLN 7 1.923 7.835 -1.495 40 HE21 GLN 7 HE21 GLN 7 4.123 7.995 -1.546 41 HE22 GLN 7 HE22 GLN 7 5.118 8.149 -0.057 42 H VAL 8 H VAL 8 -0.682 12.329 -0.590 43 HA VAL 8 HA VAL 8 1.045 14.454 -1.736 44 HB VAL 8 HB VAL 8 -1.087 15.401 -2.602 45 HG11 VAL 8 HG11 VAL 8 -1.555 13.564 -4.220 46 HG12 VAL 8 HG12 VAL 8 0.180 13.904 -4.015 47 HG13 VAL 8 HG13 VAL 8 -0.550 12.482 -3.228 48 HG21 VAL 8 HG21 VAL 8 -2.339 12.906 -1.410 49 HG22 VAL 8 HG22 VAL 8 -2.564 14.568 -0.812 50 HG23 VAL 8 HG23 VAL 8 -3.156 14.117 -2.429 51 H ARG 9 H ARG 9 0.671 13.929 1.210 52 HA ARG 9 HA ARG 9 -0.923 16.165 2.177 53 HB2 ARG 9 HB2 ARG 9 0.917 14.129 3.421 54 HB3 ARG 9 HB3 ARG 9 0.425 15.555 4.357 55 HG2 ARG 9 HG2 ARG 9 -1.545 13.690 3.022 56 HG3 ARG 9 HG3 ARG 9 -0.960 13.472 4.692 57 HD2 ARG 9 HD2 ARG 9 -1.690 15.978 4.962 58 HD3 ARG 9 HD3 ARG 9 -2.694 15.635 3.531 59 HE ARG 9 HE ARG 9 -3.100 14.683 6.259 60 HH11 ARG 9 HH11 ARG 9 -3.697 14.090 2.830 61 HH12 ARG 9 HH12 ARG 9 -5.146 13.123 3.124 62 HH21 ARG 9 HH21 ARG 9 -4.971 13.436 6.633 63 HH22 ARG 9 HH22 ARG 9 -5.866 12.756 5.269 64 H TYR 10 H TYR 10 0.337 17.538 3.997 65 HA TYR 10 HA TYR 10 2.899 18.509 2.851 66 HB2 TYR 10 HB2 TYR 10 2.179 20.815 2.803 67 HB3 TYR 10 HB3 TYR 10 1.028 19.854 1.848 68 HD1 TYR 10 HD1 TYR 10 1.523 21.660 5.035 69 HD2 TYR 10 HD2 TYR 10 -1.261 19.665 2.511 70 HE1 TYR 10 HE1 TYR 10 -0.330 22.558 6.380 71 HE2 TYR 10 HE2 TYR 10 -3.122 20.559 3.848 72 HH TYR 10 HH TYR 10 -3.727 21.935 5.489 73 H ASN 11 H ASN 11 4.042 20.012 4.297 74 HA ASN 11 HA ASN 11 3.258 19.549 7.148 75 HB2 ASN 11 HB2 ASN 11 5.149 18.151 6.783 76 HB3 ASN 11 HB3 ASN 11 5.985 19.397 5.828 77 HD21 ASN 11 HD21 ASN 11 7.525 20.467 6.805 78 HD22 ASN 11 HD22 ASN 11 7.677 20.684 8.582 79 H TYR 12 H TYR 12 3.445 21.230 8.564 80 HA TYR 12 HA TYR 12 3.527 23.878 7.375 81 HB2 TYR 12 HB2 TYR 12 3.289 22.873 10.229 82 HB3 TYR 12 HB3 TYR 12 3.317 24.602 9.817 83 HD1 TYR 12 HD2 TYR 12 1.580 25.267 7.903 84 HD2 TYR 12 HD1 TYR 12 1.228 21.863 10.430 85 HE1 TYR 12 HE2 TYR 12 -0.842 25.211 7.482 86 HE2 TYR 12 HE1 TYR 12 -1.196 21.797 10.015 87 HH TYR 12 HH TYR 12 -2.694 23.017 7.636 88 H THR 13 H THR 13 5.263 25.035 6.945 89 HA THR 13 HA THR 13 7.632 24.710 8.739 90 HB THR 13 HB THR 13 9.152 24.840 6.861 91 HG1 THR 13 HG1 THR 13 8.289 24.847 4.690 92 HG21 THR 13 HG21 THR 13 8.378 22.602 7.452 93 HG22 THR 13 HG22 THR 13 8.617 22.722 5.691 94 HG23 THR 13 HG23 THR 13 6.974 22.780 6.374 95 H GLU 14 H GLU 14 9.246 26.536 8.398 96 HA GLU 14 HA GLU 14 7.681 29.059 8.384 97 HB2 GLU 14 HB2 GLU 14 9.836 28.051 9.941 98 HB3 GLU 14 HB3 GLU 14 10.473 29.425 9.016 99 HG2 GLU 14 HG2 GLU 14 8.533 30.780 9.844 100 HG3 GLU 14 HG3 GLU 14 8.114 29.414 10.905 101 H LEU 15 H LEU 15 8.198 30.848 7.137 102 HA LEU 15 HA LEU 15 9.939 30.208 4.790 103 HB2 LEU 15 HB2 LEU 15 7.407 31.796 5.108 104 HB3 LEU 15 HB3 LEU 15 8.544 32.198 3.799 105 HG LEU 15 HG LEU 15 7.424 29.414 4.164 106 HD11 LEU 15 HD11 LEU 15 5.647 29.906 2.678 107 HD12 LEU 15 HD12 LEU 15 6.293 31.525 2.322 108 HD13 LEU 15 HD13 LEU 15 5.614 31.175 3.927 109 HD21 LEU 15 HD21 LEU 15 8.368 30.780 1.644 110 HD22 LEU 15 HD22 LEU 15 8.155 29.042 1.960 111 HD23 LEU 15 HD23 LEU 15 9.490 29.930 2.736 112 HA PRO 16 HA PRO 16 12.637 33.548 5.728 113 HB2 PRO 16 HB2 PRO 16 13.200 34.533 3.248 114 HB3 PRO 16 HB3 PRO 16 13.828 32.972 3.841 115 HG2 PRO 16 HG2 PRO 16 11.481 33.530 2.036 116 HG3 PRO 16 HG3 PRO 16 12.741 32.267 1.899 117 HD2 PRO 16 HD2 PRO 16 10.256 31.763 2.884 118 HD3 PRO 16 HD3 PRO 16 11.718 30.896 3.454 119 H ASN 17 H ASN 17 9.559 34.065 4.380 120 HA ASN 17 HA ASN 17 9.872 37.018 4.379 121 HB2 ASN 17 HB2 ASN 17 7.301 36.717 3.719 122 HB3 ASN 17 HB3 ASN 17 8.601 36.508 2.526 123 HD21 ASN 17 HD21 ASN 17 6.165 34.961 4.475 124 HD22 ASN 17 HD22 ASN 17 6.264 33.355 3.677 125 H GLY 18 H GLY 18 9.250 34.614 6.578 126 HA2 GLY 18 HA2 GLY 18 8.797 35.251 8.878 127 HA3 GLY 18 HA3 GLY 18 7.751 36.557 8.288 128 H GLU 19 H GLU 19 6.555 34.683 6.251 129 HA GLU 19 HA GLU 19 4.430 33.718 8.008 130 HB2 GLU 19 HB2 GLU 19 4.756 33.285 5.019 131 HB3 GLU 19 HB3 GLU 19 3.263 33.144 5.970 132 HG2 GLU 19 HG2 GLU 19 4.352 35.750 6.386 133 HG3 GLU 19 HG3 GLU 19 4.320 35.422 4.638 134 H TYR 20 H TYR 20 3.480 31.440 7.085 135 HA TYR 20 HA TYR 20 5.662 29.526 7.733 136 HB2 TYR 20 HB2 TYR 20 2.723 29.620 8.168 137 HB3 TYR 20 HB3 TYR 20 3.391 28.022 7.769 138 HD1 TYR 20 HD2 TYR 20 3.366 30.748 10.234 139 HD2 TYR 20 HD1 TYR 20 4.863 26.877 9.306 140 HE1 TYR 20 HE2 TYR 20 4.078 30.471 12.572 141 HE2 TYR 20 HE1 TYR 20 5.578 26.586 11.642 142 HH TYR 20 HH TYR 20 5.243 29.219 14.012 143 H CYS 21 H CYS 21 2.676 29.355 5.750 144 HA CYS 21 HA CYS 21 4.033 28.909 3.284 145 HB2 CYS 21 HB2 CYS 21 3.843 26.542 2.969 146 HB3 CYS 21 HB3 CYS 21 4.675 26.787 4.519 147 H TYR 22 H TYR 22 2.621 28.650 1.534 148 HA TYR 22 HA TYR 22 -0.142 29.415 2.187 149 HB2 TYR 22 HB2 TYR 22 1.503 29.251 -0.338 150 HB3 TYR 22 HB3 TYR 22 -0.266 29.394 -0.430 151 HD1 TYR 22 HD2 TYR 22 -0.918 31.237 1.714 152 HD2 TYR 22 HD1 TYR 22 2.391 31.295 -0.960 153 HE1 TYR 22 HE2 TYR 22 -0.740 33.674 1.997 154 HE2 TYR 22 HE1 TYR 22 2.580 33.732 -0.683 155 HH TYR 22 HH TYR 22 0.213 35.556 1.244 156 H THR 23 H THR 23 -1.781 28.063 2.376 157 HA THR 23 HA THR 23 -1.592 25.287 2.236 158 HB THR 23 HB THR 23 -4.212 25.586 1.611 159 HG1 THR 23 HG1 THR 23 -4.879 27.618 2.551 160 HG21 THR 23 HG21 THR 23 -3.854 24.599 3.646 161 HG22 THR 23 HG22 THR 23 -4.384 26.205 4.206 162 HG23 THR 23 HG23 THR 23 -2.648 25.810 4.146 163 HA PRO 24 HA PRO 24 -1.708 23.997 -1.964 164 HB2 PRO 24 HB2 PRO 24 -3.405 21.863 -1.881 165 HB3 PRO 24 HB3 PRO 24 -1.760 21.825 -1.195 166 HG2 PRO 24 HG2 PRO 24 -4.402 22.244 0.189 167 HG3 PRO 24 HG3 PRO 24 -3.006 21.244 0.691 168 HD2 PRO 24 HD2 PRO 24 -3.498 23.710 1.731 169 HD3 PRO 24 HD3 PRO 24 -1.841 23.060 1.522 170 H ARG 25 H ARG 25 -2.911 23.956 -3.901 171 HA ARG 25 HA ARG 25 -4.585 24.621 -5.324 172 HB2 ARG 25 HB2 ARG 25 -6.011 23.512 -3.008 173 HB3 ARG 25 HB3 ARG 25 -6.959 24.732 -3.882 174 HG2 ARG 25 HG2 ARG 25 -7.432 22.503 -4.724 175 HG3 ARG 25 HG3 ARG 25 -6.627 23.484 -5.974 176 HD2 ARG 25 HD2 ARG 25 -4.906 21.824 -4.188 177 HD3 ARG 25 HD3 ARG 25 -5.888 20.977 -5.409 178 HE ARG 25 HE ARG 25 -3.506 22.545 -5.863 179 HH11 ARG 25 HH11 ARG 25 -6.626 21.634 -7.238 180 HH12 ARG 25 HH12 ARG 25 -6.095 21.867 -8.908 181 HH21 ARG 25 HH21 ARG 25 -2.826 22.840 -8.019 182 HH22 ARG 25 HH22 ARG 25 -3.951 22.545 -9.347 183 H ARG 26 H ARG 26 -3.207 26.471 -3.302 184 HA ARG 26 HA ARG 26 -5.191 28.702 -3.441 185 HB2 ARG 26 HB2 ARG 26 -3.743 27.783 -1.276 186 HB3 ARG 26 HB3 ARG 26 -2.752 29.139 -1.846 187 HG2 ARG 26 HG2 ARG 26 -5.618 29.751 -1.715 188 HG3 ARG 26 HG3 ARG 26 -4.898 29.320 -0.145 189 HD2 ARG 26 HD2 ARG 26 -3.164 31.012 -0.458 190 HD3 ARG 26 HD3 ARG 26 -3.832 31.417 -2.058 191 HE ARG 26 HE ARG 26 -4.752 32.366 0.506 192 HH11 ARG 26 HH11 ARG 26 -5.823 31.396 -2.717 193 HH12 ARG 26 HH12 ARG 26 -7.266 32.415 -2.676 194 HH21 ARG 26 HH21 ARG 26 -6.616 33.678 0.551 195 HH22 ARG 26 HH22 ARG 26 -7.713 33.702 -0.833 196 H ARG 27 H ARG 27 -4.672 30.639 -4.382 197 HA ARG 27 HA ARG 27 -2.755 30.565 -6.499 198 HB2 ARG 27 HB2 ARG 27 -4.673 31.993 -6.697 199 HB3 ARG 27 HB3 ARG 27 -4.272 32.846 -5.191 200 HG2 ARG 27 HG2 ARG 27 -2.243 33.751 -6.268 201 HG3 ARG 27 HG3 ARG 27 -2.708 32.938 -7.783 202 HD2 ARG 27 HD2 ARG 27 -3.427 35.203 -7.960 203 HD3 ARG 27 HD3 ARG 27 -4.880 34.215 -7.684 204 HE ARG 27 HE ARG 27 -3.880 35.135 -5.175 205 HH11 ARG 27 HH11 ARG 27 -5.445 36.300 -8.118 206 HH12 ARG 27 HH12 ARG 27 -6.253 37.643 -7.303 207 HH21 ARG 27 HH21 ARG 27 -4.925 36.871 -4.129 208 HH22 ARG 27 HH22 ARG 27 -5.959 37.965 -5.053 209 H CYS 28 H CYS 28 -0.626 30.628 -6.355 210 HA CYS 28 HA CYS 28 0.557 32.322 -4.190 211 HB2 CYS 28 HB2 CYS 28 2.521 30.727 -4.308 212 HB3 CYS 28 HB3 CYS 28 1.024 30.032 -3.651 213 H THR 29 H THR 29 3.056 32.633 -4.788 214 HA THR 29 HA THR 29 3.089 33.591 -7.625 215 HB THR 29 HB THR 29 4.623 35.418 -6.826 216 HG1 THR 29 HG1 THR 29 4.554 35.854 -4.532 217 HG21 THR 29 HG21 THR 29 2.280 35.902 -7.263 218 HG22 THR 29 HG22 THR 29 2.817 36.801 -5.824 219 HG23 THR 29 HG23 THR 29 1.829 35.332 -5.638 220 H SER 30 H SER 30 4.864 32.183 -4.917 221 HA SER 30 HA SER 30 6.960 31.350 -6.878 222 HB2 SER 30 HB2 SER 30 7.619 31.995 -3.993 223 HB3 SER 30 HB3 SER 30 8.721 31.841 -5.382 224 HG SER 30 HG SER 30 7.397 34.034 -4.454 225 H ALA 31 H ALA 31 7.752 29.294 -6.677 226 HA ALA 31 HA ALA 31 6.058 27.358 -5.470 227 HB1 ALA 31 HB1 ALA 31 8.853 27.268 -6.591 228 HB2 ALA 31 HB2 ALA 31 8.107 25.829 -5.854 229 HB3 ALA 31 HB3 ALA 31 7.347 26.602 -7.266 230 H ASP 32 H ASP 32 9.037 28.925 -4.344 231 HA ASP 32 HA ASP 32 9.597 27.266 -2.138 232 HB2 ASP 32 HB2 ASP 32 10.683 29.548 -3.177 233 HB3 ASP 32 HB3 ASP 32 9.953 30.178 -1.684 234 H GLN 33 H GLN 33 7.091 29.666 -2.600 235 HA GLN 33 HA GLN 33 6.462 29.926 0.225 236 HB2 GLN 33 HB2 GLN 33 4.958 30.649 -2.310 237 HB3 GLN 33 HB3 GLN 33 4.331 30.973 -0.681 238 HG2 GLN 33 HG2 GLN 33 5.850 32.632 -0.270 239 HG3 GLN 33 HG3 GLN 33 7.073 31.938 -1.357 240 HE21 GLN 33 HE21 GLN 33 3.650 32.719 -1.931 241 HE22 GLN 33 HE22 GLN 33 3.967 33.901 -3.248 242 H CYS 34 H CYS 34 5.168 28.053 -2.517 243 HA CYS 34 HA CYS 34 2.895 26.966 -1.303 244 HB2 CYS 34 HB2 CYS 34 3.346 26.570 -3.636 245 HB3 CYS 34 HB3 CYS 34 4.858 25.718 -3.256 246 H CYS 35 H CYS 35 2.514 25.687 0.369 247 HA CYS 35 HA CYS 35 4.487 24.839 2.162 248 HB2 CYS 35 HB2 CYS 35 1.740 24.775 2.087 249 HB3 CYS 35 HB3 CYS 35 2.137 23.045 2.000 250 H ARG 36 H ARG 36 5.916 23.236 2.272 251 HA ARG 36 HA ARG 36 6.255 21.487 -0.008 252 HB2 ARG 36 HB2 ARG 36 7.638 21.943 2.609 253 HB3 ARG 36 HB3 ARG 36 7.935 20.405 1.777 254 HG2 ARG 36 HG2 ARG 36 9.074 21.386 0.064 255 HG3 ARG 36 HG3 ARG 36 8.155 22.909 0.176 256 HD2 ARG 36 HD2 ARG 36 10.344 23.420 0.915 257 HD3 ARG 36 HD3 ARG 36 9.350 23.302 2.387 258 HE ARG 36 HE ARG 36 10.565 21.447 3.061 259 HH11 ARG 36 HH11 ARG 36 11.244 22.218 -0.318 260 HH12 ARG 36 HH12 ARG 36 12.593 21.081 -0.431 261 HH21 ARG 36 HH21 ARG 36 12.306 19.983 2.906 262 HH22 ARG 36 HH22 ARG 36 13.191 19.821 1.387 263 HA PRO 37 HA PRO 37 4.006 17.894 1.147 264 HB2 PRO 37 HB2 PRO 37 5.697 15.885 0.407 265 HB3 PRO 37 HB3 PRO 37 4.815 16.897 -0.768 266 HG2 PRO 37 HG2 PRO 37 7.668 17.106 0.178 267 HG3 PRO 37 HG3 PRO 37 7.008 17.258 -1.479 268 HD2 PRO 37 HD2 PRO 37 7.669 19.415 0.043 269 HD3 PRO 37 HD3 PRO 37 6.328 19.442 -1.146 270 H TYR 38 H TYR 38 3.709 16.388 2.761 271 HA TYR 38 HA TYR 38 5.053 16.751 5.188 272 HB2 TYR 38 HB2 TYR 38 2.825 15.540 4.675 273 HB3 TYR 38 HB3 TYR 38 3.824 14.094 4.412 274 HD1 TYR 38 HD2 TYR 38 5.432 13.453 6.354 275 HD2 TYR 38 HD1 TYR 38 2.089 16.043 6.820 276 HE1 TYR 38 HE2 TYR 38 5.429 13.004 8.773 277 HE2 TYR 38 HE1 TYR 38 2.078 15.602 9.240 278 HH TYR 38 HH TYR 38 4.301 13.240 10.694 279 H ASP 39 H ASP 39 5.872 14.703 2.462 280 HA ASP 39 HA ASP 39 8.399 14.002 3.871 281 HB2 ASP 39 HB2 ASP 39 6.550 12.058 2.445 282 HB3 ASP 39 HB3 ASP 39 8.241 11.690 2.844 283 H THR 40 H THR 40 9.611 15.397 2.660 284 HA THR 40 HA THR 40 9.358 15.834 -0.119 285 HB THR 40 HB THR 40 11.925 16.362 0.083 286 HG1 THR 40 HG1 THR 40 12.502 16.739 2.315 287 HG21 THR 40 HG21 THR 40 10.557 18.139 1.972 288 HG22 THR 40 HG22 THR 40 9.598 17.809 0.508 289 HG23 THR 40 HG23 THR 40 11.239 18.484 0.364 290 H THR 41 H THR 41 10.729 13.163 1.642 291 HA THR 41 HA THR 41 12.386 12.189 -0.531 292 HB THR 41 HB THR 41 12.758 11.605 1.876 293 HG1 THR 41 HG1 THR 41 13.219 9.364 1.405 294 HG21 THR 41 HG21 THR 41 10.314 11.253 2.390 295 HG22 THR 41 HG22 THR 41 11.393 9.967 2.978 296 HG23 THR 41 HG23 THR 41 10.419 9.709 1.510 297 H ALA 42 H ALA 42 9.023 12.135 0.154 298 HA ALA 42 HA ALA 42 8.667 10.106 -2.012 299 HB1 ALA 42 HB1 ALA 42 7.326 10.276 0.670 300 HB2 ALA 42 HB2 ALA 42 6.457 9.584 -0.720 301 HB3 ALA 42 HB3 ALA 42 7.992 8.861 -0.180 302 H ALA 43 H ALA 43 8.703 13.138 -1.843 303 HA ALA 43 HA ALA 43 6.625 13.619 -3.719 304 HB1 ALA 43 HB1 ALA 43 5.239 15.182 -2.219 305 HB2 ALA 43 HB2 ALA 43 4.968 13.428 -2.071 306 HB3 ALA 43 HB3 ALA 43 5.949 14.284 -0.855 307 H PHE 44 H PHE 44 6.285 16.016 -4.108 308 HA PHE 44 HA PHE 44 8.620 17.599 -3.151 309 HB2 PHE 44 HB2 PHE 44 8.821 18.478 -5.555 310 HB3 PHE 44 HB3 PHE 44 9.427 16.835 -5.247 311 HD1 PHE 44 HD2 PHE 44 8.157 14.888 -6.036 312 HD2 PHE 44 HD1 PHE 44 6.960 18.859 -6.990 313 HE1 PHE 44 HE2 PHE 44 6.718 14.017 -7.832 314 HE2 PHE 44 HE1 PHE 44 5.518 17.996 -8.787 315 HZ PHE 44 HZ PHE 44 5.396 15.573 -9.209 316 H HIS 45 H HIS 45 8.362 19.941 -4.245 317 HA HIS 45 HA HIS 45 5.487 20.705 -3.950 318 HB2 HIS 45 HB2 HIS 45 6.033 22.557 -2.561 319 HB3 HIS 45 HB3 HIS 45 6.922 21.176 -1.883 320 HD2 HIS 45 HD2 HIS 45 7.628 24.580 -3.651 321 HE1 HIS 45 HE1 HIS 45 11.331 22.903 -2.444 322 HE2 HIS 45 HE2 HIS 45 10.193 24.967 -3.402 323 H GLY 46 H GLY 46 5.106 23.017 -4.727 324 HA2 GLY 46 HA2 GLY 46 6.763 24.459 -6.404 325 HA3 GLY 46 HA3 GLY 46 6.163 23.155 -7.446 326 H CYS 47 H CYS 47 5.689 25.892 -7.917 327 HA CYS 47 HA CYS 47 2.781 26.107 -7.260 328 HB2 CYS 47 HB2 CYS 47 4.973 28.117 -7.606 329 HB3 CYS 47 HB3 CYS 47 3.345 28.576 -8.150 330 H GLY 48 H GLY 48 1.395 25.702 -8.834 331 HA2 GLY 48 HA2 GLY 48 1.563 26.798 -11.438 332 HA3 GLY 48 HA3 GLY 48 2.263 25.170 -11.516 333 H ARG 49 H ARG 49 0.576 24.550 -12.950 334 HA ARG 49 HA ARG 49 -1.920 23.894 -11.457 335 HB2 ARG 49 HB2 ARG 49 -1.821 24.916 -14.319 336 HB3 ARG 49 HB3 ARG 49 -3.273 24.423 -13.429 337 HG2 ARG 49 HG2 ARG 49 -3.320 26.330 -12.161 338 HG3 ARG 49 HG3 ARG 49 -1.557 26.574 -12.264 339 HD2 ARG 49 HD2 ARG 49 -3.559 26.999 -14.504 340 HD3 ARG 49 HD3 ARG 49 -2.776 28.276 -13.543 341 HE ARG 49 HE ARG 49 -1.617 26.738 -15.745 342 HH11 ARG 49 HH11 ARG 49 -1.011 28.709 -12.880 343 HH12 ARG 49 HH12 ARG 49 0.607 29.189 -13.402 344 HH21 ARG 49 HH21 ARG 49 0.471 27.361 -16.415 345 HH22 ARG 49 HH22 ARG 49 1.443 28.430 -15.397 346 H ILE 50 H ILE 50 -2.535 21.837 -11.630 347 HA ILE 50 HA ILE 50 -1.210 20.217 -13.771 348 HB ILE 50 HB ILE 50 -1.270 18.300 -12.299 349 HG12 ILE 50 HG12 ILE 50 -2.601 20.163 -10.289 350 HG13 ILE 50 HG13 ILE 50 -3.371 18.795 -11.122 351 HG21 ILE 50 HG21 ILE 50 0.421 18.923 -10.777 352 HG22 ILE 50 HG22 ILE 50 0.570 20.067 -12.132 353 HG23 ILE 50 HG23 ILE 50 -0.214 20.579 -10.619 354 HD11 ILE 50 HD11 ILE 50 -1.075 18.618 -9.159 355 HD12 ILE 50 HD12 ILE 50 -2.781 18.221 -8.833 356 HD13 ILE 50 HD13 ILE 50 -1.845 17.249 -9.993 357 H TRP 51 H TRP 51 -4.166 21.276 -12.362 358 HA TRP 51 HA TRP 51 -5.674 19.132 -13.781 359 HB2 TRP 51 HB2 TRP 51 -6.511 21.144 -11.660 360 HB3 TRP 51 HB3 TRP 51 -7.640 20.047 -12.488 361 HD1 TRP 51 HD1 TRP 51 -5.228 20.194 -9.619 362 HE1 TRP 51 HE1 TRP 51 -5.100 17.895 -8.420 363 HE3 TRP 51 HE3 TRP 51 -7.746 17.402 -13.085 364 HZ2 TRP 51 HZ2 TRP 51 -5.984 15.259 -8.941 365 HZ3 TRP 51 HZ3 TRP 51 -8.062 15.000 -12.658 366 HH2 TRP 51 HH2 TRP 51 -7.198 13.951 -10.629 367 HA PRO 52 HA PRO 52 -7.015 21.825 -16.987 368 HB2 PRO 52 HB2 PRO 52 -9.550 20.918 -17.421 369 HB3 PRO 52 HB3 PRO 52 -8.095 20.003 -17.897 370 HG2 PRO 52 HG2 PRO 52 -9.854 19.676 -15.474 371 HG3 PRO 52 HG3 PRO 52 -9.147 18.423 -16.540 372 HD2 PRO 52 HD2 PRO 52 -8.079 19.069 -14.121 373 HD3 PRO 52 HD3 PRO 52 -7.081 18.529 -15.507 374 H LYS 53 H LYS 53 -8.718 21.673 -13.961 375 HA LYS 53 HA LYS 53 -10.630 23.768 -14.552 376 HB2 LYS 53 HB2 LYS 53 -9.685 22.321 -12.098 377 HB3 LYS 53 HB3 LYS 53 -10.571 23.844 -11.891 378 HG2 LYS 53 HG2 LYS 53 -12.282 22.724 -13.538 379 HG3 LYS 53 HG3 LYS 53 -11.506 21.220 -12.986 380 HD2 LYS 53 HD2 LYS 53 -13.378 21.595 -11.559 381 HD3 LYS 53 HD3 LYS 53 -11.924 22.008 -10.618 382 HE2 LYS 53 HE2 LYS 53 -12.301 24.341 -10.885 383 HE3 LYS 53 HE3 LYS 53 -13.539 24.068 -12.134 384 HZ1 LYS 53 HZ1 LYS 53 -13.944 22.963 -9.433 385 HZ2 LYS 53 HZ2 LYS 53 -15.090 23.442 -10.581 386 HZ3 LYS 53 HZ3 LYS 53 -14.233 24.607 -9.702 387 H ASP 54 H ASP 54 -7.460 23.636 -12.914 388 HA ASP 54 HA ASP 54 -7.492 26.511 -12.391 389 HB2 ASP 54 HB2 ASP 54 -5.210 24.504 -12.212 390 HB3 ASP 54 HB3 ASP 54 -5.209 26.152 -11.547 391 H LYS 55 H LYS 55 -6.330 24.349 -14.888 392 HA LYS 55 HA LYS 55 -4.418 26.110 -16.080 393 HB2 LYS 55 HB2 LYS 55 -4.429 23.773 -16.662 394 HB3 LYS 55 HB3 LYS 55 -6.108 23.865 -17.230 395 HG2 LYS 55 HG2 LYS 55 -4.543 25.781 -18.670 396 HG3 LYS 55 HG3 LYS 55 -3.720 24.201 -18.715 397 HD2 LYS 55 HD2 LYS 55 -5.391 23.211 -19.916 398 HD3 LYS 55 HD3 LYS 55 -6.663 24.216 -19.177 399 HE2 LYS 55 HE2 LYS 55 -6.550 24.915 -21.426 400 HE3 LYS 55 HE3 LYS 55 -5.676 26.162 -20.506 401 HZ1 LYS 55 HZ1 LYS 55 -4.631 25.234 -22.650 402 HZ2 LYS 55 HZ2 LYS 55 -4.219 23.890 -21.712 403 HZ3 LYS 55 HZ3 LYS 55 -3.642 25.424 -21.291 404 H ARG 56 H ARG 56 -7.878 25.511 -16.805 405 HA ARG 56 HA ARG 56 -8.081 27.340 -18.956 406 HB2 ARG 56 HB2 ARG 56 -10.410 27.119 -18.745 407 HB3 ARG 56 HB3 ARG 56 -9.777 25.595 -18.088 408 HG2 ARG 56 HG2 ARG 56 -9.893 26.993 -15.813 409 HG3 ARG 56 HG3 ARG 56 -11.166 27.846 -16.723 410 HD2 ARG 56 HD2 ARG 56 -12.225 25.640 -17.201 411 HD3 ARG 56 HD3 ARG 56 -11.004 24.870 -16.161 412 HE ARG 56 HE ARG 56 -12.065 26.762 -14.507 413 HH11 ARG 56 HH11 ARG 56 -13.484 24.289 -16.589 414 HH12 ARG 56 HH12 ARG 56 -14.900 24.060 -15.556 415 HH21 ARG 56 HH21 ARG 56 -13.895 26.461 -13.180 416 HH22 ARG 56 HH22 ARG 56 -15.130 25.285 -13.635 417 H GLU 57 H GLU 57 -7.853 27.863 -15.522 418 HA GLU 57 HA GLU 57 -8.848 30.631 -15.733 419 HB2 GLU 57 HB2 GLU 57 -7.841 28.898 -13.469 420 HB3 GLU 57 HB3 GLU 57 -8.068 30.646 -13.258 421 HG2 GLU 57 HG2 GLU 57 -10.444 30.332 -14.024 422 HG3 GLU 57 HG3 GLU 57 -10.161 28.577 -13.942 423 H LYS 58 H LYS 58 -5.865 28.882 -15.879 424 HA LYS 58 HA LYS 58 -3.686 29.568 -16.119 425 HB2 LYS 58 HB2 LYS 58 -4.971 32.202 -16.934 426 HB3 LYS 58 HB3 LYS 58 -3.287 31.735 -17.237 427 HG2 LYS 58 HG2 LYS 58 -5.361 29.859 -18.222 428 HG3 LYS 58 HG3 LYS 58 -5.265 31.442 -19.035 429 HD2 LYS 58 HD2 LYS 58 -3.711 30.364 -20.291 430 HD3 LYS 58 HD3 LYS 58 -2.643 30.827 -18.944 431 HE2 LYS 58 HE2 LYS 58 -2.140 28.610 -19.005 432 HE3 LYS 58 HE3 LYS 58 -3.579 28.514 -17.963 433 HZ1 LYS 58 HZ1 LYS 58 -3.411 26.946 -19.968 434 HZ2 LYS 58 HZ2 LYS 58 -3.818 28.295 -20.905 435 HZ3 LYS 58 HZ3 LYS 58 -4.880 27.747 -19.709 436 H VAL 59 H VAL 59 -4.284 29.477 -13.562 437 HA VAL 59 HA VAL 59 -2.920 31.897 -12.480 438 HB VAL 59 HB VAL 59 -5.237 32.266 -11.935 439 HG11 VAL 59 HG11 VAL 59 -5.341 29.424 -11.804 440 HG12 VAL 59 HG12 VAL 59 -5.848 30.059 -10.220 441 HG13 VAL 59 HG13 VAL 59 -6.681 30.590 -11.701 442 HG21 VAL 59 HG21 VAL 59 -4.403 31.152 -9.322 443 HG22 VAL 59 HG22 VAL 59 -3.228 32.234 -10.107 444 HG23 VAL 59 HG23 VAL 59 -4.880 32.808 -9.767 445 H ASP 60 H ASP 60 -1.070 31.250 -11.633 446 HA ASP 60 HA ASP 60 -0.415 28.565 -11.042 447 HB2 ASP 60 HB2 ASP 60 1.423 29.700 -9.579 448 HB3 ASP 60 HB3 ASP 60 1.416 29.995 -11.332 449 H ARG 61 H ARG 61 -0.728 27.238 -9.373 450 HA ARG 61 HA ARG 61 -1.581 28.431 -6.782 451 HB2 ARG 61 HB2 ARG 61 -2.997 26.130 -8.180 452 HB3 ARG 61 HB3 ARG 61 -3.363 26.741 -6.553 453 HG2 ARG 61 HG2 ARG 61 -3.434 28.913 -8.436 454 HG3 ARG 61 HG3 ARG 61 -4.454 27.573 -9.016 455 HD2 ARG 61 HD2 ARG 61 -4.653 28.316 -6.135 456 HD3 ARG 61 HD3 ARG 61 -5.349 29.442 -7.325 457 HE ARG 61 HE ARG 61 -6.130 26.648 -7.703 458 HH11 ARG 61 HH11 ARG 61 -6.830 29.717 -6.106 459 HH12 ARG 61 HH12 ARG 61 -8.541 29.343 -5.868 460 HH21 ARG 61 HH21 ARG 61 -8.338 26.170 -7.393 461 HH22 ARG 61 HH22 ARG 61 -9.391 27.343 -6.593 462 H CYS 62 H CYS 62 -1.050 27.249 -4.951 463 HA CYS 62 HA CYS 62 1.296 25.659 -5.137 464 HB2 CYS 62 HB2 CYS 62 0.798 26.838 -3.099 465 HB3 CYS 62 HB3 CYS 62 -0.750 25.986 -2.915 466 H TYR 63 H TYR 63 1.670 23.571 -5.483 467 HA TYR 63 HA TYR 63 -0.607 21.673 -5.160 468 HB2 TYR 63 HB2 TYR 63 -0.223 20.651 -7.285 469 HB3 TYR 63 HB3 TYR 63 -0.324 22.400 -7.579 470 HD1 TYR 63 HD2 TYR 63 1.927 19.489 -7.459 471 HD2 TYR 63 HD1 TYR 63 1.601 23.640 -8.330 472 HE1 TYR 63 HE2 TYR 63 4.110 19.417 -8.588 473 HE2 TYR 63 HE1 TYR 63 3.783 23.581 -9.463 474 HH TYR 63 HH TYR 63 5.767 20.630 -9.486 475 H ILE 64 H ILE 64 0.006 19.459 -4.885 476 HA ILE 64 HA ILE 64 2.885 18.974 -4.378 477 HB ILE 64 HB ILE 64 0.739 18.537 -2.274 478 HG12 ILE 64 HG12 ILE 64 3.221 20.301 -2.261 479 HG13 ILE 64 HG13 ILE 64 1.554 20.877 -2.480 480 HG21 ILE 64 HG21 ILE 64 3.679 17.799 -2.279 481 HG22 ILE 64 HG22 ILE 64 2.595 17.694 -0.873 482 HG23 ILE 64 HG23 ILE 64 2.300 16.675 -2.303 483 HD11 ILE 64 HD11 ILE 64 3.008 20.267 -0.050 484 HD12 ILE 64 HD12 ILE 64 1.483 21.157 -0.280 485 HD13 ILE 64 HD13 ILE 64 1.466 19.383 -0.133 486 H CYS 65 H CYS 65 3.438 17.132 -5.304 487 HA CYS 65 HA CYS 65 1.346 14.997 -5.478 488 HB2 CYS 65 HB2 CYS 65 3.499 15.728 -7.500 489 HB3 CYS 65 HB3 CYS 65 2.451 14.297 -7.611 490 H ASN 66 H ASN 66 2.264 12.782 -5.763 491 HA ASN 66 HA ASN 66 4.277 12.364 -3.695 492 HB2 ASN 66 HB2 ASN 66 3.885 9.971 -4.119 493 HB3 ASN 66 HB3 ASN 66 2.349 10.846 -3.943 494 HD21 ASN 66 HD21 ASN 66 2.430 8.369 -5.097 495 HD22 ASN 66 HD22 ASN 66 2.085 8.527 -6.854 496 H ASN 67 H ASN 67 6.143 10.884 -4.032 497 HA ASN 67 HA ASN 67 7.907 11.956 -5.970 498 HB2 ASN 67 HB2 ASN 67 9.438 10.174 -5.326 499 HB3 ASN 67 HB3 ASN 67 8.600 10.783 -3.881 500 HD21 ASN 67 HD21 ASN 67 9.864 8.127 -4.898 501 HD22 ASN 67 HD22 ASN 67 8.639 6.910 -4.394 502 H GLU 68 H GLU 68 5.646 9.274 -6.117 503 HA GLU 68 HA GLU 68 6.791 8.168 -8.560 504 HB2 GLU 68 HB2 GLU 68 4.071 7.718 -7.273 505 HB3 GLU 68 HB3 GLU 68 4.775 6.746 -8.582 506 HG2 GLU 68 HG2 GLU 68 6.450 7.015 -6.163 507 HG3 GLU 68 HG3 GLU 68 4.926 6.124 -5.948 508 H LYS 69 H LYS 69 4.950 10.895 -7.847 509 HA LYS 69 HA LYS 69 3.742 12.363 -9.135 510 HB2 LYS 69 HB2 LYS 69 5.431 10.996 -11.247 511 HB3 LYS 69 HB3 LYS 69 4.311 12.313 -11.650 512 HG2 LYS 69 HG2 LYS 69 5.496 13.807 -10.121 513 HG3 LYS 69 HG3 LYS 69 6.607 12.486 -9.684 514 HD2 LYS 69 HD2 LYS 69 7.211 12.340 -12.139 515 HD3 LYS 69 HD3 LYS 69 6.295 13.849 -12.371 516 HE2 LYS 69 HE2 LYS 69 8.491 14.586 -12.091 517 HE3 LYS 69 HE3 LYS 69 7.779 14.786 -10.471 518 HZ1 LYS 69 HZ1 LYS 69 10.008 13.749 -10.461 519 HZ2 LYS 69 HZ2 LYS 69 9.390 12.429 -11.319 520 HZ3 LYS 69 HZ3 LYS 69 8.823 12.765 -9.760 521 H THR 70 H THR 70 2.691 9.606 -8.596 522 HA THR 70 HA THR 70 0.942 9.198 -10.958 523 HB THR 70 HB THR 70 0.217 7.142 -9.868 524 HG1 THR 70 HG1 THR 70 1.172 6.568 -7.813 525 HG21 THR 70 HG21 THR 70 3.231 7.429 -9.637 526 HG22 THR 70 HG22 THR 70 2.346 7.146 -11.156 527 HG23 THR 70 HG23 THR 70 2.316 5.919 -9.865 528 H LEU 71 H LEU 71 0.840 10.147 -7.546 529 HA LEU 71 HA LEU 71 -2.057 10.794 -7.929 530 HB2 LEU 71 HB2 LEU 71 -1.386 9.015 -6.207 531 HB3 LEU 71 HB3 LEU 71 -0.694 10.356 -5.268 532 HG LEU 71 HG LEU 71 -3.159 11.340 -5.606 533 HD11 LEU 71 HD11 LEU 71 -4.674 9.259 -5.166 534 HD12 LEU 71 HD12 LEU 71 -3.388 8.374 -6.018 535 HD13 LEU 71 HD13 LEU 71 -4.243 9.705 -6.833 536 HD21 LEU 71 HD21 LEU 71 -1.679 10.287 -3.536 537 HD22 LEU 71 HD22 LEU 71 -3.159 9.299 -3.498 538 HD23 LEU 71 HD23 LEU 71 -3.270 11.073 -3.384 539 H CYS 72 H CYS 72 -2.848 12.758 -7.163 540 HA CYS 72 HA CYS 72 -0.883 14.674 -6.052 541 HB2 CYS 72 HB2 CYS 72 -2.415 15.149 -8.638 542 HB3 CYS 72 HB3 CYS 72 -1.520 16.398 -7.747 543 H THR 73 H THR 73 -1.926 16.736 -5.387 544 HA THR 73 HA THR 73 -4.099 16.273 -3.690 545 HB THR 73 HB THR 73 -4.394 18.951 -4.229 546 HG1 THR 73 HG1 THR 73 -2.216 19.707 -4.604 547 HG21 THR 73 HG21 THR 73 -2.042 18.168 -2.564 548 HG22 THR 73 HG22 THR 73 -3.625 17.481 -2.126 549 HG23 THR 73 HG23 THR 73 -3.405 19.247 -2.185 550 H SER 74 H SER 74 -6.299 16.606 -3.745 551 HA SER 74 HA SER 74 -7.651 15.993 -6.131 552 HB2 SER 74 HB2 SER 74 -8.814 15.644 -4.092 553 HB3 SER 74 HB3 SER 74 -8.560 17.325 -3.563 554 HG SER 74 HG SER 74 -10.707 16.946 -4.333 555 H VAL 75 H VAL 75 -8.963 17.187 -7.558 556 HA VAL 75 HA VAL 75 -7.816 19.530 -8.589 557 HB VAL 75 HB VAL 75 -9.445 18.061 -9.784 558 HG11 VAL 75 HG11 VAL 75 -11.590 19.605 -8.311 559 HG12 VAL 75 HG12 VAL 75 -11.793 18.242 -9.438 560 HG13 VAL 75 HG13 VAL 75 -11.061 17.973 -7.837 561 HG21 VAL 75 HG21 VAL 75 -10.244 19.756 -11.186 562 HG22 VAL 75 HG22 VAL 75 -10.460 20.899 -9.839 563 HG23 VAL 75 HG23 VAL 75 -8.824 20.491 -10.404 564 H MET 76 H MET 76 -10.114 19.122 -5.975 565 HA MET 76 HA MET 76 -10.025 22.077 -5.574 566 HB2 MET 76 HB2 MET 76 -12.429 20.281 -5.728 567 HB3 MET 76 HB3 MET 76 -12.459 21.661 -4.612 568 HG2 MET 76 HG2 MET 76 -11.633 22.970 -6.759 569 HG3 MET 76 HG3 MET 76 -12.413 21.606 -7.595 570 HE1 MET 76 HE1 MET 76 -16.128 21.926 -6.706 571 HE2 MET 76 HE2 MET 76 -14.898 21.206 -7.772 572 HE3 MET 76 HE3 MET 76 -14.918 20.804 -6.037 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 2.879 -0.032 0.757 2 H2 GLY 1 H2 GLY 1 2.118 1.370 0.176 3 H3 GLY 1 H3 GLY 1 1.326 -0.128 0.078 4 HA2 GLY 1 HA2 GLY 1 3.882 0.429 -1.257 5 HA3 GLY 1 HA3 GLY 1 2.781 -0.938 -1.516 6 H THR 2 H THR 2 0.455 1.017 -1.230 7 HA THR 2 HA THR 2 0.597 1.960 -4.058 8 HB THR 2 HB THR 2 -2.018 2.210 -3.508 9 HG1 THR 2 HG1 THR 2 -2.632 0.409 -2.155 10 HG21 THR 2 HG21 THR 2 -1.078 0.872 -5.327 11 HG22 THR 2 HG22 THR 2 -2.340 -0.046 -4.471 12 HG23 THR 2 HG23 THR 2 -0.621 -0.405 -4.174 13 HA PRO 3 HA PRO 3 0.341 6.204 -2.943 14 HB2 PRO 3 HB2 PRO 3 -1.353 7.191 -4.836 15 HB3 PRO 3 HB3 PRO 3 0.319 6.684 -5.196 16 HG2 PRO 3 HG2 PRO 3 -2.266 5.196 -5.617 17 HG3 PRO 3 HG3 PRO 3 -0.851 5.340 -6.704 18 HD2 PRO 3 HD2 PRO 3 -1.297 3.146 -5.157 19 HD3 PRO 3 HD3 PRO 3 0.349 3.723 -5.569 20 H SER 4 H SER 4 -0.793 7.597 -1.676 21 HA SER 4 HA SER 4 -3.717 7.263 -1.443 22 HB2 SER 4 HB2 SER 4 -1.742 6.518 0.695 23 HB3 SER 4 HB3 SER 4 -3.263 7.300 1.184 24 HG SER 4 HG SER 4 -3.407 5.173 -0.655 25 H ALA 5 H ALA 5 -4.707 8.944 -0.057 26 HA ALA 5 HA ALA 5 -3.824 11.516 -0.795 27 HB1 ALA 5 HB1 ALA 5 -5.457 10.940 1.685 28 HB2 ALA 5 HB2 ALA 5 -5.515 12.371 0.627 29 HB3 ALA 5 HB3 ALA 5 -6.117 10.802 0.039 30 H ASP 6 H ASP 6 -2.849 9.470 1.858 31 HA ASP 6 HA ASP 6 -1.756 11.556 3.520 32 HB2 ASP 6 HB2 ASP 6 -2.293 9.320 4.394 33 HB3 ASP 6 HB3 ASP 6 -1.051 8.601 3.346 34 H GLN 7 H GLN 7 -0.628 9.825 0.702 35 HA GLN 7 HA GLN 7 2.177 10.439 1.089 36 HB2 GLN 7 HB2 GLN 7 0.520 9.514 -1.268 37 HB3 GLN 7 HB3 GLN 7 2.243 9.900 -1.440 38 HG2 GLN 7 HG2 GLN 7 2.427 8.254 0.646 39 HG3 GLN 7 HG3 GLN 7 0.917 7.624 -0.051 40 HE21 GLN 7 HE21 GLN 7 3.965 8.906 -1.411 41 HE22 GLN 7 HE22 GLN 7 4.284 7.478 -2.455 42 H VAL 8 H VAL 8 -0.578 12.091 -0.306 43 HA VAL 8 HA VAL 8 1.197 14.148 -1.502 44 HB VAL 8 HB VAL 8 -0.920 15.128 -2.380 45 HG11 VAL 8 HG11 VAL 8 0.383 13.534 -3.711 46 HG12 VAL 8 HG12 VAL 8 -0.527 12.183 -2.992 47 HG13 VAL 8 HG13 VAL 8 -1.359 13.367 -4.027 48 HG21 VAL 8 HG21 VAL 8 -2.367 14.262 -0.530 49 HG22 VAL 8 HG22 VAL 8 -3.017 13.965 -2.161 50 HG23 VAL 8 HG23 VAL 8 -2.243 12.640 -1.257 51 H ARG 9 H ARG 9 0.809 13.692 1.454 52 HA ARG 9 HA ARG 9 -0.757 15.938 2.406 53 HB2 ARG 9 HB2 ARG 9 1.172 13.976 3.633 54 HB3 ARG 9 HB3 ARG 9 0.694 15.420 4.548 55 HG2 ARG 9 HG2 ARG 9 -1.327 13.532 3.339 56 HG3 ARG 9 HG3 ARG 9 -0.633 13.288 4.960 57 HD2 ARG 9 HD2 ARG 9 -1.352 15.757 5.365 58 HD3 ARG 9 HD3 ARG 9 -2.407 15.504 3.952 59 HE ARG 9 HE ARG 9 -2.929 13.333 5.584 60 HH11 ARG 9 HH11 ARG 9 -2.963 16.844 5.964 61 HH12 ARG 9 HH12 ARG 9 -4.254 16.823 7.171 62 HH21 ARG 9 HH21 ARG 9 -4.594 13.314 7.141 63 HH22 ARG 9 HH22 ARG 9 -5.173 14.831 7.835 64 H TYR 10 H TYR 10 0.532 17.392 4.141 65 HA TYR 10 HA TYR 10 3.044 18.376 2.910 66 HB2 TYR 10 HB2 TYR 10 2.283 20.642 2.701 67 HB3 TYR 10 HB3 TYR 10 1.101 19.613 1.865 68 HD1 TYR 10 HD1 TYR 10 1.708 21.668 4.870 69 HD2 TYR 10 HD2 TYR 10 -1.157 19.443 2.648 70 HE1 TYR 10 HE1 TYR 10 -0.095 22.653 6.221 71 HE2 TYR 10 HE2 TYR 10 -2.969 20.423 3.992 72 HH TYR 10 HH TYR 10 -2.282 22.506 6.774 73 H ASN 11 H ASN 11 4.176 19.953 4.268 74 HA ASN 11 HA ASN 11 3.428 19.602 7.145 75 HB2 ASN 11 HB2 ASN 11 5.391 18.303 6.810 76 HB3 ASN 11 HB3 ASN 11 6.142 19.553 5.795 77 HD21 ASN 11 HD21 ASN 11 7.684 20.663 6.716 78 HD22 ASN 11 HD22 ASN 11 7.823 20.995 8.479 79 H TYR 12 H TYR 12 3.616 21.341 8.516 80 HA TYR 12 HA TYR 12 3.534 23.947 7.200 81 HB2 TYR 12 HB2 TYR 12 3.250 23.013 10.068 82 HB3 TYR 12 HB3 TYR 12 3.284 24.737 9.639 83 HD1 TYR 12 HD2 TYR 12 1.578 25.444 7.763 84 HD2 TYR 12 HD1 TYR 12 1.211 21.924 10.125 85 HE1 TYR 12 HE2 TYR 12 -0.830 25.374 7.273 86 HE2 TYR 12 HE1 TYR 12 -1.199 21.844 9.639 87 HH TYR 12 HH TYR 12 -2.794 24.424 7.786 88 H THR 13 H THR 13 5.258 25.092 6.694 89 HA THR 13 HA THR 13 7.614 24.928 8.533 90 HB THR 13 HB THR 13 9.123 25.138 6.659 91 HG1 THR 13 HG1 THR 13 8.262 25.156 4.488 92 HG21 THR 13 HG21 THR 13 8.412 22.860 7.211 93 HG22 THR 13 HG22 THR 13 8.681 23.023 5.458 94 HG23 THR 13 HG23 THR 13 7.024 23.012 6.107 95 H GLU 14 H GLU 14 9.136 26.832 8.217 96 HA GLU 14 HA GLU 14 7.452 29.276 8.224 97 HB2 GLU 14 HB2 GLU 14 9.648 28.357 9.780 98 HB3 GLU 14 HB3 GLU 14 10.222 29.770 8.875 99 HG2 GLU 14 HG2 GLU 14 8.210 31.017 9.711 100 HG3 GLU 14 HG3 GLU 14 7.860 29.621 10.756 101 H LEU 15 H LEU 15 7.949 31.135 7.040 102 HA LEU 15 HA LEU 15 9.738 30.608 4.700 103 HB2 LEU 15 HB2 LEU 15 7.084 31.990 4.959 104 HB3 LEU 15 HB3 LEU 15 8.216 32.485 3.677 105 HG LEU 15 HG LEU 15 7.283 29.627 4.018 106 HD11 LEU 15 HD11 LEU 15 5.565 30.008 2.415 107 HD12 LEU 15 HD12 LEU 15 6.106 31.678 2.132 108 HD13 LEU 15 HD13 LEU 15 5.369 31.235 3.690 109 HD21 LEU 15 HD21 LEU 15 8.235 31.016 1.517 110 HD22 LEU 15 HD22 LEU 15 8.156 29.274 1.873 111 HD23 LEU 15 HD23 LEU 15 9.378 30.293 2.675 112 HA PRO 16 HA PRO 16 12.144 34.147 5.698 113 HB2 PRO 16 HB2 PRO 16 12.680 35.180 3.231 114 HB3 PRO 16 HB3 PRO 16 13.416 33.672 3.835 115 HG2 PRO 16 HG2 PRO 16 11.071 34.051 1.982 116 HG3 PRO 16 HG3 PRO 16 12.430 32.890 1.870 117 HD2 PRO 16 HD2 PRO 16 9.972 32.189 2.803 118 HD3 PRO 16 HD3 PRO 16 11.484 31.437 3.401 119 H ASN 17 H ASN 17 9.065 34.425 4.288 120 HA ASN 17 HA ASN 17 9.145 37.391 4.289 121 HB2 ASN 17 HB2 ASN 17 6.613 36.884 3.596 122 HB3 ASN 17 HB3 ASN 17 7.943 36.789 2.421 123 HD21 ASN 17 HD21 ASN 17 5.624 35.032 4.339 124 HD22 ASN 17 HD22 ASN 17 5.868 33.442 3.534 125 H GLY 18 H GLY 18 8.750 35.002 6.517 126 HA2 GLY 18 HA2 GLY 18 8.186 35.565 8.794 127 HA3 GLY 18 HA3 GLY 18 7.074 36.810 8.195 128 H GLU 19 H GLU 19 6.016 34.881 6.134 129 HA GLU 19 HA GLU 19 3.948 33.760 7.878 130 HB2 GLU 19 HB2 GLU 19 4.268 33.415 4.876 131 HB3 GLU 19 HB3 GLU 19 2.793 33.193 5.838 132 HG2 GLU 19 HG2 GLU 19 4.249 35.810 5.392 133 HG3 GLU 19 HG3 GLU 19 2.752 35.289 4.585 134 H TYR 20 H TYR 20 3.120 31.460 7.032 135 HA TYR 20 HA TYR 20 5.406 29.662 7.596 136 HB2 TYR 20 HB2 TYR 20 2.454 29.561 7.951 137 HB3 TYR 20 HB3 TYR 20 3.235 28.020 7.532 138 HD1 TYR 20 HD2 TYR 20 3.021 30.702 10.051 139 HD2 TYR 20 HD1 TYR 20 4.683 26.904 9.096 140 HE1 TYR 20 HE2 TYR 20 3.685 30.410 12.401 141 HE2 TYR 20 HE1 TYR 20 5.352 26.601 11.443 142 HH TYR 20 HH TYR 20 4.661 29.107 13.897 143 H CYS 21 H CYS 21 2.487 29.383 5.524 144 HA CYS 21 HA CYS 21 3.945 29.075 3.090 145 HB2 CYS 21 HB2 CYS 21 3.854 26.710 2.704 146 HB3 CYS 21 HB3 CYS 21 4.645 26.951 4.277 147 H TYR 22 H TYR 22 2.592 28.611 1.275 148 HA TYR 22 HA TYR 22 -0.201 29.366 1.824 149 HB2 TYR 22 HB2 TYR 22 1.501 29.124 -0.661 150 HB3 TYR 22 HB3 TYR 22 -0.267 29.266 -0.783 151 HD1 TYR 22 HD2 TYR 22 -0.961 31.187 1.264 152 HD2 TYR 22 HD1 TYR 22 2.417 31.141 -1.320 153 HE1 TYR 22 HE2 TYR 22 -0.782 33.632 1.465 154 HE2 TYR 22 HE1 TYR 22 2.607 33.585 -1.127 155 HH TYR 22 HH TYR 22 0.199 35.486 0.669 156 H THR 23 H THR 23 -1.786 27.964 2.077 157 HA THR 23 HA THR 23 -1.524 25.193 2.001 158 HB THR 23 HB THR 23 -4.165 25.451 1.345 159 HG1 THR 23 HG1 THR 23 -4.846 27.455 2.333 160 HG21 THR 23 HG21 THR 23 -4.411 25.927 3.920 161 HG22 THR 23 HG22 THR 23 -2.644 25.719 3.923 162 HG23 THR 23 HG23 THR 23 -3.695 24.400 3.356 163 HA PRO 24 HA PRO 24 -1.620 23.799 -2.168 164 HB2 PRO 24 HB2 PRO 24 -3.265 21.628 -2.031 165 HB3 PRO 24 HB3 PRO 24 -1.618 21.645 -1.345 166 HG2 PRO 24 HG2 PRO 24 -4.267 22.034 0.032 167 HG3 PRO 24 HG3 PRO 24 -2.847 21.079 0.555 168 HD2 PRO 24 HD2 PRO 24 -3.395 23.557 1.538 169 HD3 PRO 24 HD3 PRO 24 -1.724 22.943 1.340 170 H ARG 25 H ARG 25 -2.811 23.720 -4.100 171 HA ARG 25 HA ARG 25 -4.506 24.298 -5.534 172 HB2 ARG 25 HB2 ARG 25 -6.449 24.073 -3.218 173 HB3 ARG 25 HB3 ARG 25 -6.775 23.852 -4.950 174 HG2 ARG 25 HG2 ARG 25 -5.475 21.804 -4.970 175 HG3 ARG 25 HG3 ARG 25 -5.030 22.040 -3.261 176 HD2 ARG 25 HD2 ARG 25 -7.910 21.872 -4.158 177 HD3 ARG 25 HD3 ARG 25 -6.954 20.415 -3.796 178 HE ARG 25 HE ARG 25 -6.779 22.326 -1.647 179 HH11 ARG 25 HH11 ARG 25 -8.897 19.930 -3.145 180 HH12 ARG 25 HH12 ARG 25 -9.765 19.581 -1.646 181 HH21 ARG 25 HH21 ARG 25 -7.903 21.871 0.283 182 HH22 ARG 25 HH22 ARG 25 -9.205 20.676 0.287 183 H ARG 26 H ARG 26 -3.150 26.235 -3.607 184 HA ARG 26 HA ARG 26 -5.185 28.420 -3.802 185 HB2 ARG 26 HB2 ARG 26 -3.713 27.568 -1.595 186 HB3 ARG 26 HB3 ARG 26 -2.815 28.988 -2.168 187 HG2 ARG 26 HG2 ARG 26 -5.499 29.766 -2.245 188 HG3 ARG 26 HG3 ARG 26 -5.328 28.835 -0.736 189 HD2 ARG 26 HD2 ARG 26 -3.690 30.276 0.110 190 HD3 ARG 26 HD3 ARG 26 -3.316 30.944 -1.496 191 HE ARG 26 HE ARG 26 -5.913 31.704 -1.141 192 HH11 ARG 26 HH11 ARG 26 -3.021 31.935 0.871 193 HH12 ARG 26 HH12 ARG 26 -3.547 33.423 1.666 194 HH21 ARG 26 HH21 ARG 26 -6.586 33.623 -0.110 195 HH22 ARG 26 HH22 ARG 26 -5.556 34.373 1.115 196 H ARG 27 H ARG 27 -4.517 30.495 -4.502 197 HA ARG 27 HA ARG 27 -2.675 30.391 -6.711 198 HB2 ARG 27 HB2 ARG 27 -4.528 31.901 -6.841 199 HB3 ARG 27 HB3 ARG 27 -4.093 32.671 -5.302 200 HG2 ARG 27 HG2 ARG 27 -2.197 33.733 -6.267 201 HG3 ARG 27 HG3 ARG 27 -2.329 32.766 -7.755 202 HD2 ARG 27 HD2 ARG 27 -4.618 33.830 -8.074 203 HD3 ARG 27 HD3 ARG 27 -4.172 34.955 -6.768 204 HE ARG 27 HE ARG 27 -2.117 34.886 -8.772 205 HH11 ARG 27 HH11 ARG 27 -5.386 36.064 -8.145 206 HH12 ARG 27 HH12 ARG 27 -5.235 37.434 -9.252 207 HH21 ARG 27 HH21 ARG 27 -1.930 36.655 -10.198 208 HH22 ARG 27 HH22 ARG 27 -3.287 37.766 -10.410 209 H CYS 28 H CYS 28 -0.542 30.441 -6.657 210 HA CYS 28 HA CYS 28 0.746 32.040 -4.483 211 HB2 CYS 28 HB2 CYS 28 2.587 30.344 -4.483 212 HB3 CYS 28 HB3 CYS 28 1.029 29.698 -3.924 213 H THR 29 H THR 29 3.127 32.469 -5.021 214 HA THR 29 HA THR 29 3.296 33.148 -7.931 215 HB THR 29 HB THR 29 4.470 35.160 -7.406 216 HG1 THR 29 HG1 THR 29 4.979 35.684 -5.186 217 HG21 THR 29 HG21 THR 29 1.841 34.714 -6.601 218 HG22 THR 29 HG22 THR 29 2.627 36.298 -6.819 219 HG23 THR 29 HG23 THR 29 2.581 35.541 -5.208 220 H SER 30 H SER 30 4.890 31.870 -5.082 221 HA SER 30 HA SER 30 7.126 30.991 -6.852 222 HB2 SER 30 HB2 SER 30 7.634 31.805 -3.983 223 HB3 SER 30 HB3 SER 30 8.797 31.622 -5.318 224 HG SER 30 HG SER 30 8.340 33.836 -4.830 225 H ALA 31 H ALA 31 7.780 28.927 -6.591 226 HA ALA 31 HA ALA 31 6.093 27.067 -5.318 227 HB1 ALA 31 HB1 ALA 31 8.931 26.943 -6.308 228 HB2 ALA 31 HB2 ALA 31 8.193 25.547 -5.485 229 HB3 ALA 31 HB3 ALA 31 7.465 26.190 -6.978 230 H ASP 32 H ASP 32 8.959 28.763 -4.113 231 HA ASP 32 HA ASP 32 9.473 27.242 -1.807 232 HB2 ASP 32 HB2 ASP 32 10.775 29.239 -2.737 233 HB3 ASP 32 HB3 ASP 32 9.602 30.273 -1.893 234 H GLN 33 H GLN 33 6.994 29.701 -2.410 235 HA GLN 33 HA GLN 33 6.154 29.890 0.346 236 HB2 GLN 33 HB2 GLN 33 4.535 30.485 -2.155 237 HB3 GLN 33 HB3 GLN 33 4.240 31.107 -0.519 238 HG2 GLN 33 HG2 GLN 33 6.410 32.296 -0.614 239 HG3 GLN 33 HG3 GLN 33 6.620 31.725 -2.286 240 HE21 GLN 33 HE21 GLN 33 4.061 31.981 -3.271 241 HE22 GLN 33 HE22 GLN 33 3.627 33.725 -3.317 242 H CYS 34 H CYS 34 5.147 27.937 -2.447 243 HA CYS 34 HA CYS 34 2.785 26.837 -1.384 244 HB2 CYS 34 HB2 CYS 34 3.375 26.450 -3.685 245 HB3 CYS 34 HB3 CYS 34 4.886 25.636 -3.221 246 H CYS 35 H CYS 35 2.329 25.544 0.261 247 HA CYS 35 HA CYS 35 4.202 24.732 2.170 248 HB2 CYS 35 HB2 CYS 35 1.540 23.437 1.462 249 HB3 CYS 35 HB3 CYS 35 2.447 23.142 2.958 250 H ARG 36 H ARG 36 5.730 23.240 2.278 251 HA ARG 36 HA ARG 36 6.159 21.444 0.046 252 HB2 ARG 36 HB2 ARG 36 7.530 22.090 2.620 253 HB3 ARG 36 HB3 ARG 36 7.881 20.509 1.894 254 HG2 ARG 36 HG2 ARG 36 8.628 21.565 -0.152 255 HG3 ARG 36 HG3 ARG 36 8.162 23.167 0.470 256 HD2 ARG 36 HD2 ARG 36 9.778 22.754 2.382 257 HD3 ARG 36 HD3 ARG 36 10.357 21.337 1.472 258 HE ARG 36 HE ARG 36 10.356 23.792 -0.095 259 HH11 ARG 36 HH11 ARG 36 12.126 21.827 2.243 260 HH12 ARG 36 HH12 ARG 36 13.702 22.482 1.785 261 HH21 ARG 36 HH21 ARG 36 12.393 24.634 -0.682 262 HH22 ARG 36 HH22 ARG 36 13.851 24.065 0.137 263 HA PRO 37 HA PRO 37 4.097 17.780 1.331 264 HB2 PRO 37 HB2 PRO 37 5.883 15.839 0.640 265 HB3 PRO 37 HB3 PRO 37 4.945 16.766 -0.559 266 HG2 PRO 37 HG2 PRO 37 7.787 17.149 0.358 267 HG3 PRO 37 HG3 PRO 37 7.113 17.214 -1.299 268 HD2 PRO 37 HD2 PRO 37 7.672 19.450 0.152 269 HD3 PRO 37 HD3 PRO 37 6.324 19.372 -1.028 270 H TYR 38 H TYR 38 3.926 16.234 2.949 271 HA TYR 38 HA TYR 38 5.252 16.765 5.373 272 HB2 TYR 38 HB2 TYR 38 3.083 15.420 4.898 273 HB3 TYR 38 HB3 TYR 38 4.163 14.024 4.694 274 HD1 TYR 38 HD2 TYR 38 5.758 13.498 6.655 275 HD2 TYR 38 HD1 TYR 38 2.354 16.020 7.026 276 HE1 TYR 38 HE2 TYR 38 5.774 13.147 9.089 277 HE2 TYR 38 HE1 TYR 38 2.359 15.679 9.462 278 HH TYR 38 HH TYR 38 4.812 13.601 11.026 279 H ASP 39 H ASP 39 6.211 14.790 2.662 280 HA ASP 39 HA ASP 39 8.789 14.285 4.027 281 HB2 ASP 39 HB2 ASP 39 6.835 12.172 3.180 282 HB3 ASP 39 HB3 ASP 39 8.567 11.863 2.923 283 H THR 40 H THR 40 10.118 15.321 2.691 284 HA THR 40 HA THR 40 9.660 15.751 -0.072 285 HB THR 40 HB THR 40 12.337 15.930 -0.010 286 HG1 THR 40 HG1 THR 40 12.953 16.527 2.162 287 HG21 THR 40 HG21 THR 40 11.172 18.083 1.611 288 HG22 THR 40 HG22 THR 40 10.207 17.684 0.168 289 HG23 THR 40 HG23 THR 40 11.920 18.141 -0.003 290 H THR 41 H THR 41 10.881 12.984 1.636 291 HA THR 41 HA THR 41 12.174 11.825 -0.725 292 HB THR 41 HB THR 41 13.042 11.324 1.521 293 HG1 THR 41 HG1 THR 41 12.073 9.311 -0.203 294 HG21 THR 41 HG21 THR 41 11.677 9.661 2.913 295 HG22 THR 41 HG22 THR 41 10.280 10.157 1.927 296 HG23 THR 41 HG23 THR 41 11.138 11.356 2.923 297 H ALA 42 H ALA 42 9.003 12.226 0.255 298 HA ALA 42 HA ALA 42 8.168 9.764 -1.232 299 HB1 ALA 42 HB1 ALA 42 6.929 9.277 0.552 300 HB2 ALA 42 HB2 ALA 42 7.326 10.832 1.322 301 HB3 ALA 42 HB3 ALA 42 5.951 10.721 0.198 302 H ALA 43 H ALA 43 7.972 13.235 -0.935 303 HA ALA 43 HA ALA 43 6.647 13.353 -3.555 304 HB1 ALA 43 HB1 ALA 43 5.351 14.550 -1.090 305 HB2 ALA 43 HB2 ALA 43 4.865 14.889 -2.770 306 HB3 ALA 43 HB3 ALA 43 4.707 13.241 -2.111 307 H PHE 44 H PHE 44 6.261 15.797 -4.119 308 HA PHE 44 HA PHE 44 8.517 17.392 -2.989 309 HB2 PHE 44 HB2 PHE 44 9.016 18.198 -5.309 310 HB3 PHE 44 HB3 PHE 44 9.346 16.468 -5.071 311 HD1 PHE 44 HD2 PHE 44 7.793 14.787 -6.014 312 HD2 PHE 44 HD1 PHE 44 7.398 18.936 -6.867 313 HE1 PHE 44 HE2 PHE 44 6.369 14.248 -7.945 314 HE2 PHE 44 HE1 PHE 44 5.971 18.405 -8.801 315 HZ PHE 44 HZ PHE 44 5.454 16.058 -9.341 316 H HIS 45 H HIS 45 8.361 19.722 -4.114 317 HA HIS 45 HA HIS 45 5.483 20.528 -3.966 318 HB2 HIS 45 HB2 HIS 45 6.016 22.422 -2.634 319 HB3 HIS 45 HB3 HIS 45 6.880 21.062 -1.886 320 HD2 HIS 45 HD2 HIS 45 7.622 24.464 -3.571 321 HE1 HIS 45 HE1 HIS 45 11.336 22.677 -2.569 322 HE2 HIS 45 HE2 HIS 45 10.199 24.803 -3.388 323 H GLY 46 H GLY 46 5.157 22.815 -4.839 324 HA2 GLY 46 HA2 GLY 46 6.865 24.170 -6.531 325 HA3 GLY 46 HA3 GLY 46 6.281 22.830 -7.536 326 H CYS 47 H CYS 47 5.858 25.591 -8.072 327 HA CYS 47 HA CYS 47 2.915 25.798 -7.571 328 HB2 CYS 47 HB2 CYS 47 5.110 27.836 -7.791 329 HB3 CYS 47 HB3 CYS 47 3.488 28.282 -8.361 330 H GLY 48 H GLY 48 1.639 25.400 -9.238 331 HA2 GLY 48 HA2 GLY 48 2.168 26.489 -11.861 332 HA3 GLY 48 HA3 GLY 48 2.540 24.755 -11.817 333 H ARG 49 H ARG 49 0.912 24.166 -13.231 334 HA ARG 49 HA ARG 49 -1.788 24.201 -11.984 335 HB2 ARG 49 HB2 ARG 49 -1.266 24.905 -14.897 336 HB3 ARG 49 HB3 ARG 49 -2.852 24.794 -14.105 337 HG2 ARG 49 HG2 ARG 49 -2.235 26.670 -12.633 338 HG3 ARG 49 HG3 ARG 49 -0.668 26.794 -13.472 339 HD2 ARG 49 HD2 ARG 49 -3.431 27.223 -14.640 340 HD3 ARG 49 HD3 ARG 49 -2.162 28.445 -14.387 341 HE ARG 49 HE ARG 49 -2.420 26.603 -16.616 342 HH11 ARG 49 HH11 ARG 49 -0.151 28.431 -14.622 343 HH12 ARG 49 HH12 ARG 49 1.082 28.512 -15.887 344 HH21 ARG 49 HH21 ARG 49 -0.825 26.713 -18.242 345 HH22 ARG 49 HH22 ARG 49 0.702 27.544 -17.928 346 H ILE 50 H ILE 50 -1.943 22.074 -11.561 347 HA ILE 50 HA ILE 50 -1.212 20.169 -13.726 348 HB ILE 50 HB ILE 50 -1.546 18.421 -11.954 349 HG12 ILE 50 HG12 ILE 50 -1.621 20.777 -10.035 350 HG13 ILE 50 HG13 ILE 50 -3.078 19.905 -10.563 351 HG21 ILE 50 HG21 ILE 50 0.553 20.394 -12.196 352 HG22 ILE 50 HG22 ILE 50 0.451 19.789 -10.526 353 HG23 ILE 50 HG23 ILE 50 0.671 18.648 -11.875 354 HD11 ILE 50 HD11 ILE 50 -2.502 17.983 -9.409 355 HD12 ILE 50 HD12 ILE 50 -0.775 18.411 -9.347 356 HD13 ILE 50 HD13 ILE 50 -1.944 19.276 -8.322 357 H TRP 51 H TRP 51 -3.919 21.567 -12.059 358 HA TRP 51 HA TRP 51 -5.731 19.510 -13.228 359 HB2 TRP 51 HB2 TRP 51 -6.130 21.618 -11.078 360 HB3 TRP 51 HB3 TRP 51 -7.467 20.675 -11.773 361 HD1 TRP 51 HD1 TRP 51 -5.225 20.626 -8.913 362 HE1 TRP 51 HE1 TRP 51 -5.085 18.278 -7.814 363 HE3 TRP 51 HE3 TRP 51 -7.328 17.901 -12.695 364 HZ2 TRP 51 HZ2 TRP 51 -5.799 15.634 -8.524 365 HZ3 TRP 51 HZ3 TRP 51 -7.563 15.469 -12.407 366 HH2 TRP 51 HH2 TRP 51 -6.812 14.361 -10.364 367 HA PRO 52 HA PRO 52 -7.224 22.201 -16.367 368 HB2 PRO 52 HB2 PRO 52 -9.858 21.500 -16.472 369 HB3 PRO 52 HB3 PRO 52 -8.547 20.448 -17.070 370 HG2 PRO 52 HG2 PRO 52 -10.031 20.353 -14.451 371 HG3 PRO 52 HG3 PRO 52 -9.558 19.009 -15.536 372 HD2 PRO 52 HD2 PRO 52 -8.166 19.641 -13.284 373 HD3 PRO 52 HD3 PRO 52 -7.383 18.974 -14.752 374 H LYS 53 H LYS 53 -8.568 22.295 -13.163 375 HA LYS 53 HA LYS 53 -10.376 24.505 -13.606 376 HB2 LYS 53 HB2 LYS 53 -9.046 23.488 -11.067 377 HB3 LYS 53 HB3 LYS 53 -10.357 24.684 -11.119 378 HG2 LYS 53 HG2 LYS 53 -10.492 21.792 -12.005 379 HG3 LYS 53 HG3 LYS 53 -11.262 22.520 -10.573 380 HD2 LYS 53 HD2 LYS 53 -11.861 23.203 -13.469 381 HD3 LYS 53 HD3 LYS 53 -12.877 22.213 -12.391 382 HE2 LYS 53 HE2 LYS 53 -12.776 24.327 -10.840 383 HE3 LYS 53 HE3 LYS 53 -12.347 25.171 -12.348 384 HZ1 LYS 53 HZ1 LYS 53 -14.890 24.223 -11.469 385 HZ2 LYS 53 HZ2 LYS 53 -14.506 23.586 -12.987 386 HZ3 LYS 53 HZ3 LYS 53 -14.516 25.262 -12.751 387 H ASP 54 H ASP 54 -6.958 24.192 -12.795 388 HA ASP 54 HA ASP 54 -6.676 27.024 -12.137 389 HB2 ASP 54 HB2 ASP 54 -4.564 24.914 -12.731 390 HB3 ASP 54 HB3 ASP 54 -4.266 26.520 -12.028 391 H LYS 55 H LYS 55 -6.398 24.986 -14.974 392 HA LYS 55 HA LYS 55 -4.831 26.771 -16.572 393 HB2 LYS 55 HB2 LYS 55 -6.342 24.305 -16.927 394 HB3 LYS 55 HB3 LYS 55 -6.560 25.393 -18.311 395 HG2 LYS 55 HG2 LYS 55 -4.394 25.212 -18.975 396 HG3 LYS 55 HG3 LYS 55 -3.784 25.013 -17.314 397 HD2 LYS 55 HD2 LYS 55 -3.482 22.870 -18.011 398 HD3 LYS 55 HD3 LYS 55 -5.195 22.730 -17.543 399 HE2 LYS 55 HE2 LYS 55 -5.037 21.757 -19.691 400 HE3 LYS 55 HE3 LYS 55 -5.756 23.365 -19.944 401 HZ1 LYS 55 HZ1 LYS 55 -3.170 22.330 -20.786 402 HZ2 LYS 55 HZ2 LYS 55 -3.162 23.923 -20.215 403 HZ3 LYS 55 HZ3 LYS 55 -4.162 23.493 -21.511 404 H ARG 56 H ARG 56 -8.375 26.254 -16.363 405 HA ARG 56 HA ARG 56 -9.078 28.258 -18.245 406 HB2 ARG 56 HB2 ARG 56 -11.293 28.033 -17.447 407 HB3 ARG 56 HB3 ARG 56 -10.549 26.441 -17.190 408 HG2 ARG 56 HG2 ARG 56 -10.018 27.560 -14.803 409 HG3 ARG 56 HG3 ARG 56 -11.499 28.454 -15.227 410 HD2 ARG 56 HD2 ARG 56 -11.443 25.478 -15.582 411 HD3 ARG 56 HD3 ARG 56 -11.609 26.148 -13.941 412 HE ARG 56 HE ARG 56 -13.511 27.532 -15.316 413 HH11 ARG 56 HH11 ARG 56 -12.710 24.101 -15.087 414 HH12 ARG 56 HH12 ARG 56 -14.376 23.570 -15.339 415 HH21 ARG 56 HH21 ARG 56 -15.658 26.839 -15.639 416 HH22 ARG 56 HH22 ARG 56 -16.039 25.114 -15.651 417 H GLU 57 H GLU 57 -7.989 28.471 -14.950 418 HA GLU 57 HA GLU 57 -8.935 31.265 -14.705 419 HB2 GLU 57 HB2 GLU 57 -7.365 29.498 -12.791 420 HB3 GLU 57 HB3 GLU 57 -7.949 31.132 -12.427 421 HG2 GLU 57 HG2 GLU 57 -10.218 30.445 -12.511 422 HG3 GLU 57 HG3 GLU 57 -9.786 28.873 -13.224 423 H LYS 58 H LYS 58 -6.126 29.461 -15.608 424 HA LYS 58 HA LYS 58 -4.020 30.111 -16.248 425 HB2 LYS 58 HB2 LYS 58 -5.359 32.831 -16.498 426 HB3 LYS 58 HB3 LYS 58 -3.751 32.429 -17.134 427 HG2 LYS 58 HG2 LYS 58 -6.006 30.675 -17.962 428 HG3 LYS 58 HG3 LYS 58 -5.973 32.331 -18.616 429 HD2 LYS 58 HD2 LYS 58 -4.784 31.022 -20.179 430 HD3 LYS 58 HD3 LYS 58 -3.535 31.869 -19.232 431 HE2 LYS 58 HE2 LYS 58 -3.033 29.918 -17.975 432 HE3 LYS 58 HE3 LYS 58 -4.490 29.079 -18.559 433 HZ1 LYS 58 HZ1 LYS 58 -2.066 29.774 -20.137 434 HZ2 LYS 58 HZ2 LYS 58 -3.491 29.173 -20.821 435 HZ3 LYS 58 HZ3 LYS 58 -2.612 28.227 -19.726 436 H VAL 59 H VAL 59 -3.942 29.691 -13.710 437 HA VAL 59 HA VAL 59 -2.130 31.780 -12.715 438 HB VAL 59 HB VAL 59 -4.230 32.639 -11.861 439 HG11 VAL 59 HG11 VAL 59 -4.967 30.527 -10.039 440 HG12 VAL 59 HG12 VAL 59 -5.943 31.336 -11.289 441 HG13 VAL 59 HG13 VAL 59 -4.953 29.918 -11.709 442 HG21 VAL 59 HG21 VAL 59 -2.010 32.116 -10.357 443 HG22 VAL 59 HG22 VAL 59 -3.396 33.093 -9.816 444 HG23 VAL 59 HG23 VAL 59 -3.291 31.373 -9.366 445 H ASP 60 H ASP 60 -0.427 30.826 -11.842 446 HA ASP 60 HA ASP 60 -0.417 27.965 -11.405 447 HB2 ASP 60 HB2 ASP 60 1.678 29.961 -10.482 448 HB3 ASP 60 HB3 ASP 60 1.902 28.234 -10.842 449 H ARG 61 H ARG 61 -1.222 26.944 -9.715 450 HA ARG 61 HA ARG 61 -1.255 28.402 -7.105 451 HB2 ARG 61 HB2 ARG 61 -2.997 26.111 -8.088 452 HB3 ARG 61 HB3 ARG 61 -3.090 26.850 -6.477 453 HG2 ARG 61 HG2 ARG 61 -3.372 29.055 -7.999 454 HG3 ARG 61 HG3 ARG 61 -4.066 27.835 -9.096 455 HD2 ARG 61 HD2 ARG 61 -4.887 27.878 -6.208 456 HD3 ARG 61 HD3 ARG 61 -5.576 29.071 -7.335 457 HE ARG 61 HE ARG 61 -5.724 26.348 -8.341 458 HH11 ARG 61 HH11 ARG 61 -7.236 28.752 -6.242 459 HH12 ARG 61 HH12 ARG 61 -8.841 28.022 -6.358 460 HH21 ARG 61 HH21 ARG 61 -7.799 25.413 -8.488 461 HH22 ARG 61 HH22 ARG 61 -9.158 26.138 -7.624 462 H CYS 62 H CYS 62 -1.071 27.014 -5.152 463 HA CYS 62 HA CYS 62 1.348 25.471 -5.315 464 HB2 CYS 62 HB2 CYS 62 0.847 26.655 -3.282 465 HB3 CYS 62 HB3 CYS 62 -0.715 25.826 -3.114 466 H TYR 63 H TYR 63 1.736 23.331 -5.422 467 HA TYR 63 HA TYR 63 -0.539 21.457 -5.138 468 HB2 TYR 63 HB2 TYR 63 -0.251 20.434 -7.282 469 HB3 TYR 63 HB3 TYR 63 -0.397 22.182 -7.566 470 HD1 TYR 63 HD2 TYR 63 1.917 19.313 -7.557 471 HD2 TYR 63 HD1 TYR 63 1.454 23.451 -8.431 472 HE1 TYR 63 HE2 TYR 63 4.038 19.281 -8.802 473 HE2 TYR 63 HE1 TYR 63 3.571 23.429 -9.681 474 HH TYR 63 HH TYR 63 5.502 20.437 -9.988 475 H ILE 64 H ILE 64 0.069 19.288 -4.782 476 HA ILE 64 HA ILE 64 2.988 18.829 -4.414 477 HB ILE 64 HB ILE 64 0.879 18.237 -2.309 478 HG12 ILE 64 HG12 ILE 64 3.264 20.133 -2.264 479 HG13 ILE 64 HG13 ILE 64 1.563 20.622 -2.443 480 HG21 ILE 64 HG21 ILE 64 3.461 17.056 -2.844 481 HG22 ILE 64 HG22 ILE 64 3.470 17.887 -1.270 482 HG23 ILE 64 HG23 ILE 64 2.252 16.631 -1.607 483 HD11 ILE 64 HD11 ILE 64 1.294 19.284 -0.182 484 HD12 ILE 64 HD12 ILE 64 3.033 19.641 -0.038 485 HD13 ILE 64 HD13 ILE 64 1.861 20.970 -0.208 486 H CYS 65 H CYS 65 3.534 17.085 -5.516 487 HA CYS 65 HA CYS 65 1.537 14.859 -5.654 488 HB2 CYS 65 HB2 CYS 65 3.493 15.826 -7.774 489 HB3 CYS 65 HB3 CYS 65 2.578 14.308 -7.883 490 H ASN 66 H ASN 66 2.330 12.728 -5.637 491 HA ASN 66 HA ASN 66 4.571 12.340 -3.896 492 HB2 ASN 66 HB2 ASN 66 4.226 9.939 -4.329 493 HB3 ASN 66 HB3 ASN 66 2.680 10.762 -4.033 494 HD21 ASN 66 HD21 ASN 66 2.758 8.304 -5.228 495 HD22 ASN 66 HD22 ASN 66 2.283 8.475 -6.954 496 H ASN 67 H ASN 67 6.402 10.805 -4.427 497 HA ASN 67 HA ASN 67 8.030 11.996 -6.433 498 HB2 ASN 67 HB2 ASN 67 8.209 9.570 -4.680 499 HB3 ASN 67 HB3 ASN 67 9.328 9.685 -6.056 500 HD21 ASN 67 HD21 ASN 67 10.439 9.590 -3.658 501 HD22 ASN 67 HD22 ASN 67 11.047 11.208 -3.164 502 H GLU 68 H GLU 68 5.810 9.275 -6.502 503 HA GLU 68 HA GLU 68 6.800 8.260 -9.051 504 HB2 GLU 68 HB2 GLU 68 4.187 7.723 -7.589 505 HB3 GLU 68 HB3 GLU 68 4.808 6.803 -8.974 506 HG2 GLU 68 HG2 GLU 68 6.642 7.033 -6.665 507 HG3 GLU 68 HG3 GLU 68 5.156 6.094 -6.388 508 H LYS 69 H LYS 69 4.969 10.931 -8.133 509 HA LYS 69 HA LYS 69 3.652 12.413 -9.293 510 HB2 LYS 69 HB2 LYS 69 5.285 11.149 -11.494 511 HB3 LYS 69 HB3 LYS 69 4.029 12.339 -11.886 512 HG2 LYS 69 HG2 LYS 69 5.185 13.869 -10.191 513 HG3 LYS 69 HG3 LYS 69 6.541 12.718 -10.263 514 HD2 LYS 69 HD2 LYS 69 7.060 13.252 -12.443 515 HD3 LYS 69 HD3 LYS 69 5.397 13.757 -12.829 516 HE2 LYS 69 HE2 LYS 69 5.671 15.853 -11.857 517 HE3 LYS 69 HE3 LYS 69 7.034 15.319 -10.847 518 HZ1 LYS 69 HZ1 LYS 69 8.506 15.611 -12.527 519 HZ2 LYS 69 HZ2 LYS 69 7.369 16.757 -13.029 520 HZ3 LYS 69 HZ3 LYS 69 7.400 15.226 -13.750 521 H THR 70 H THR 70 2.684 9.625 -8.754 522 HA THR 70 HA THR 70 0.780 9.242 -10.996 523 HB THR 70 HB THR 70 0.149 7.158 -9.888 524 HG1 THR 70 HG1 THR 70 1.273 6.558 -7.928 525 HG21 THR 70 HG21 THR 70 2.277 5.965 -10.046 526 HG22 THR 70 HG22 THR 70 3.169 7.502 -9.925 527 HG23 THR 70 HG23 THR 70 2.148 7.173 -11.347 528 H LEU 71 H LEU 71 0.882 10.064 -7.543 529 HA LEU 71 HA LEU 71 -2.044 10.672 -7.714 530 HB2 LEU 71 HB2 LEU 71 -1.186 8.913 -6.056 531 HB3 LEU 71 HB3 LEU 71 -0.462 10.275 -5.171 532 HG LEU 71 HG LEU 71 -2.985 11.176 -5.327 533 HD11 LEU 71 HD11 LEU 71 -4.457 9.658 -6.003 534 HD12 LEU 71 HD12 LEU 71 -3.985 8.618 -4.637 535 HD13 LEU 71 HD13 LEU 71 -3.163 8.452 -6.207 536 HD21 LEU 71 HD21 LEU 71 -2.205 11.133 -3.195 537 HD22 LEU 71 HD22 LEU 71 -1.490 9.511 -3.369 538 HD23 LEU 71 HD23 LEU 71 -3.241 9.689 -3.099 539 H CYS 72 H CYS 72 -2.820 12.629 -6.978 540 HA CYS 72 HA CYS 72 -0.858 14.592 -5.949 541 HB2 CYS 72 HB2 CYS 72 -2.505 15.041 -8.470 542 HB3 CYS 72 HB3 CYS 72 -1.560 16.290 -7.631 543 H THR 73 H THR 73 -1.922 16.643 -5.270 544 HA THR 73 HA THR 73 -4.070 16.109 -3.525 545 HB THR 73 HB THR 73 -4.358 18.774 -3.819 546 HG1 THR 73 HG1 THR 73 -2.264 19.626 -4.408 547 HG21 THR 73 HG21 THR 73 -1.794 17.947 -2.532 548 HG22 THR 73 HG22 THR 73 -3.291 17.176 -1.953 549 HG23 THR 73 HG23 THR 73 -3.124 18.947 -1.899 550 H SER 74 H SER 74 -6.263 16.794 -3.502 551 HA SER 74 HA SER 74 -7.712 16.123 -5.824 552 HB2 SER 74 HB2 SER 74 -8.647 16.145 -3.518 553 HB3 SER 74 HB3 SER 74 -8.618 17.924 -3.540 554 HG SER 74 HG SER 74 -10.687 17.058 -4.105 555 H VAL 75 H VAL 75 -9.425 17.654 -6.815 556 HA VAL 75 HA VAL 75 -7.894 19.905 -7.976 557 HB VAL 75 HB VAL 75 -9.121 18.284 -9.440 558 HG11 VAL 75 HG11 VAL 75 -11.728 19.560 -9.011 559 HG12 VAL 75 HG12 VAL 75 -11.312 17.844 -9.240 560 HG13 VAL 75 HG13 VAL 75 -11.173 18.586 -7.627 561 HG21 VAL 75 HG21 VAL 75 -8.545 20.643 -10.099 562 HG22 VAL 75 HG22 VAL 75 -9.923 19.938 -10.975 563 HG23 VAL 75 HG23 VAL 75 -10.207 21.105 -9.661 564 H MET 76 H MET 76 -10.502 19.280 -5.759 565 HA MET 76 HA MET 76 -11.559 22.014 -5.944 566 HB2 MET 76 HB2 MET 76 -12.239 19.514 -4.451 567 HB3 MET 76 HB3 MET 76 -12.730 21.055 -3.720 568 HG2 MET 76 HG2 MET 76 -13.697 21.555 -6.096 569 HG3 MET 76 HG3 MET 76 -13.617 19.789 -6.288 570 HE1 MET 76 HE1 MET 76 -16.846 21.652 -5.942 571 HE2 MET 76 HE2 MET 76 -16.599 22.371 -4.335 572 HE3 MET 76 HE3 MET 76 -15.388 22.618 -5.616 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 3.759 -1.217 0.223 2 H2 GLY 1 H2 GLY 1 2.849 -1.302 -1.207 3 H3 GLY 1 H3 GLY 1 4.307 -0.430 -1.177 4 HA2 GLY 1 HA2 GLY 1 1.871 0.207 0.351 5 HA3 GLY 1 HA3 GLY 1 3.391 1.119 0.380 6 H THR 2 H THR 2 0.384 0.618 -1.185 7 HA THR 2 HA THR 2 1.113 1.856 -3.712 8 HB THR 2 HB THR 2 -1.536 2.154 -3.736 9 HG1 THR 2 HG1 THR 2 -2.483 0.462 -2.433 10 HG21 THR 2 HG21 THR 2 0.303 -0.019 -4.382 11 HG22 THR 2 HG22 THR 2 -1.076 0.621 -5.308 12 HG23 THR 2 HG23 THR 2 -1.342 -0.610 -4.051 13 HA PRO 3 HA PRO 3 0.730 6.135 -2.777 14 HB2 PRO 3 HB2 PRO 3 -0.538 7.093 -4.993 15 HB3 PRO 3 HB3 PRO 3 1.159 6.550 -5.004 16 HG2 PRO 3 HG2 PRO 3 -1.321 5.088 -5.886 17 HG3 PRO 3 HG3 PRO 3 0.282 5.180 -6.678 18 HD2 PRO 3 HD2 PRO 3 -0.504 3.039 -5.193 19 HD3 PRO 3 HD3 PRO 3 1.203 3.579 -5.286 20 H SER 4 H SER 4 -0.586 7.506 -1.709 21 HA SER 4 HA SER 4 -3.516 7.242 -2.071 22 HB2 SER 4 HB2 SER 4 -2.198 7.046 0.667 23 HB3 SER 4 HB3 SER 4 -3.942 6.993 0.318 24 HG SER 4 HG SER 4 -3.029 4.890 0.616 25 H ALA 5 H ALA 5 -4.630 8.901 -0.499 26 HA ALA 5 HA ALA 5 -3.747 11.479 -1.315 27 HB1 ALA 5 HB1 ALA 5 -5.511 12.351 0.042 28 HB2 ALA 5 HB2 ALA 5 -6.082 10.817 -0.655 29 HB3 ALA 5 HB3 ALA 5 -5.552 10.878 1.043 30 H ASP 6 H ASP 6 -2.906 9.489 1.418 31 HA ASP 6 HA ASP 6 -1.960 11.601 3.127 32 HB2 ASP 6 HB2 ASP 6 -2.499 9.274 3.880 33 HB3 ASP 6 HB3 ASP 6 -1.049 8.700 3.028 34 H GLN 7 H GLN 7 -0.644 9.947 0.357 35 HA GLN 7 HA GLN 7 2.123 10.623 0.909 36 HB2 GLN 7 HB2 GLN 7 0.605 9.601 -1.490 37 HB3 GLN 7 HB3 GLN 7 2.291 10.133 -1.657 38 HG2 GLN 7 HG2 GLN 7 1.429 8.088 0.391 39 HG3 GLN 7 HG3 GLN 7 1.884 7.652 -1.274 40 HE21 GLN 7 HE21 GLN 7 3.575 6.388 -0.374 41 HE22 GLN 7 HE22 GLN 7 5.095 7.184 0.167 42 H VAL 8 H VAL 8 -0.597 12.201 -0.631 43 HA VAL 8 HA VAL 8 1.179 14.310 -1.731 44 HB VAL 8 HB VAL 8 -0.887 15.230 -2.737 45 HG11 VAL 8 HG11 VAL 8 0.361 13.707 -4.082 46 HG12 VAL 8 HG12 VAL 8 -0.299 12.297 -3.215 47 HG13 VAL 8 HG13 VAL 8 -1.355 13.274 -4.263 48 HG21 VAL 8 HG21 VAL 8 -2.412 14.414 -0.921 49 HG22 VAL 8 HG22 VAL 8 -3.001 14.097 -2.570 50 HG23 VAL 8 HG23 VAL 8 -2.278 12.781 -1.616 51 H ARG 9 H ARG 9 0.667 13.836 1.202 52 HA ARG 9 HA ARG 9 -0.956 16.119 2.031 53 HB2 ARG 9 HB2 ARG 9 0.724 14.045 3.430 54 HB3 ARG 9 HB3 ARG 9 0.195 15.495 4.309 55 HG2 ARG 9 HG2 ARG 9 -1.725 13.692 2.833 56 HG3 ARG 9 HG3 ARG 9 -1.257 13.428 4.532 57 HD2 ARG 9 HD2 ARG 9 -2.229 16.131 3.662 58 HD3 ARG 9 HD3 ARG 9 -3.405 14.822 3.928 59 HE ARG 9 HE ARG 9 -1.634 14.970 6.161 60 HH11 ARG 9 HH11 ARG 9 -4.260 16.733 4.591 61 HH12 ARG 9 HH12 ARG 9 -4.822 17.475 6.093 62 HH21 ARG 9 HH21 ARG 9 -2.364 15.931 8.094 63 HH22 ARG 9 HH22 ARG 9 -3.752 17.024 8.068 64 H TYR 10 H TYR 10 0.132 17.559 3.836 65 HA TYR 10 HA TYR 10 2.828 18.408 2.899 66 HB2 TYR 10 HB2 TYR 10 2.174 20.734 2.791 67 HB3 TYR 10 HB3 TYR 10 1.078 19.792 1.755 68 HD1 TYR 10 HD1 TYR 10 1.366 21.723 4.872 69 HD2 TYR 10 HD2 TYR 10 -1.260 19.550 2.325 70 HE1 TYR 10 HE1 TYR 10 -0.564 22.671 6.063 71 HE2 TYR 10 HE2 TYR 10 -3.199 20.495 3.508 72 HH TYR 10 HH TYR 10 -3.908 21.826 5.123 73 H ASN 11 H ASN 11 3.617 20.287 4.406 74 HA ASN 11 HA ASN 11 2.694 19.813 7.190 75 HB2 ASN 11 HB2 ASN 11 4.807 19.216 8.028 76 HB3 ASN 11 HB3 ASN 11 4.696 18.297 6.510 77 HD21 ASN 11 HD21 ASN 11 6.711 20.051 8.367 78 HD22 ASN 11 HD22 ASN 11 7.814 20.692 7.099 79 H TYR 12 H TYR 12 3.017 21.516 8.598 80 HA TYR 12 HA TYR 12 3.296 24.104 7.326 81 HB2 TYR 12 HB2 TYR 12 2.678 23.064 10.050 82 HB3 TYR 12 HB3 TYR 12 3.375 24.696 9.971 83 HD1 TYR 12 HD1 TYR 12 0.771 22.724 8.120 84 HD2 TYR 12 HD2 TYR 12 1.844 26.408 9.958 85 HE1 TYR 12 HE1 TYR 12 -1.444 23.637 7.569 86 HE2 TYR 12 HE2 TYR 12 -0.369 27.332 9.412 87 HH TYR 12 HH TYR 12 -2.365 26.953 8.531 88 H THR 13 H THR 13 5.014 25.374 7.101 89 HA THR 13 HA THR 13 7.392 24.854 8.809 90 HB THR 13 HB THR 13 8.928 24.802 6.975 91 HG1 THR 13 HG1 THR 13 8.145 24.980 4.781 92 HG21 THR 13 HG21 THR 13 8.375 22.743 5.914 93 HG22 THR 13 HG22 THR 13 6.629 23.039 6.087 94 HG23 THR 13 HG23 THR 13 7.620 22.691 7.524 95 H GLU 14 H GLU 14 9.105 26.586 8.446 96 HA GLU 14 HA GLU 14 7.675 29.187 8.384 97 HB2 GLU 14 HB2 GLU 14 9.789 28.085 9.959 98 HB3 GLU 14 HB3 GLU 14 10.455 29.460 9.057 99 HG2 GLU 14 HG2 GLU 14 8.522 30.829 9.895 100 HG3 GLU 14 HG3 GLU 14 8.094 29.458 10.945 101 H LEU 15 H LEU 15 8.025 30.754 6.918 102 HA LEU 15 HA LEU 15 9.893 30.057 4.701 103 HB2 LEU 15 HB2 LEU 15 7.373 31.681 4.900 104 HB3 LEU 15 HB3 LEU 15 8.538 32.014 3.597 105 HG LEU 15 HG LEU 15 7.431 29.243 4.044 106 HD11 LEU 15 HD11 LEU 15 6.152 31.594 2.664 107 HD12 LEU 15 HD12 LEU 15 5.431 30.407 3.776 108 HD13 LEU 15 HD13 LEU 15 5.852 29.925 2.115 109 HD21 LEU 15 HD21 LEU 15 8.096 28.866 1.801 110 HD22 LEU 15 HD22 LEU 15 9.455 29.708 2.582 111 HD23 LEU 15 HD23 LEU 15 8.355 30.603 1.505 112 HA PRO 16 HA PRO 16 12.607 33.409 5.546 113 HB2 PRO 16 HB2 PRO 16 13.220 34.285 3.038 114 HB3 PRO 16 HB3 PRO 16 13.823 32.745 3.706 115 HG2 PRO 16 HG2 PRO 16 11.513 33.250 1.838 116 HG3 PRO 16 HG3 PRO 16 12.765 31.971 1.775 117 HD2 PRO 16 HD2 PRO 16 10.257 31.530 2.737 118 HD3 PRO 16 HD3 PRO 16 11.700 30.675 3.367 119 H ASN 17 H ASN 17 9.701 33.955 3.690 120 HA ASN 17 HA ASN 17 9.989 36.858 3.634 121 HB2 ASN 17 HB2 ASN 17 7.731 36.859 2.716 122 HB3 ASN 17 HB3 ASN 17 8.687 35.587 1.927 123 HD21 ASN 17 HD21 ASN 17 6.028 35.462 1.697 124 HD22 ASN 17 HD22 ASN 17 5.372 34.140 2.725 125 H GLY 18 H GLY 18 9.357 34.674 6.073 126 HA2 GLY 18 HA2 GLY 18 9.026 35.548 8.319 127 HA3 GLY 18 HA3 GLY 18 8.001 36.828 7.644 128 H GLU 19 H GLU 19 6.685 34.792 5.838 129 HA GLU 19 HA GLU 19 4.620 34.045 7.784 130 HB2 GLU 19 HB2 GLU 19 4.678 33.358 4.832 131 HB3 GLU 19 HB3 GLU 19 3.267 33.497 5.897 132 HG2 GLU 19 HG2 GLU 19 4.979 35.677 4.725 133 HG3 GLU 19 HG3 GLU 19 3.219 35.438 4.602 134 H TYR 20 H TYR 20 3.537 31.755 7.024 135 HA TYR 20 HA TYR 20 5.661 29.805 7.716 136 HB2 TYR 20 HB2 TYR 20 2.733 30.012 8.139 137 HB3 TYR 20 HB3 TYR 20 3.325 28.378 7.770 138 HD1 TYR 20 HD2 TYR 20 3.470 31.165 10.175 139 HD2 TYR 20 HD1 TYR 20 4.712 27.183 9.336 140 HE1 TYR 20 HE2 TYR 20 4.176 30.898 12.515 141 HE2 TYR 20 HE1 TYR 20 5.421 26.904 11.674 142 HH TYR 20 HH TYR 20 5.289 29.612 13.974 143 H CYS 21 H CYS 21 2.690 29.637 5.709 144 HA CYS 21 HA CYS 21 4.068 29.043 3.280 145 HB2 CYS 21 HB2 CYS 21 3.869 26.692 3.067 146 HB3 CYS 21 HB3 CYS 21 4.562 26.947 4.683 147 H TYR 22 H TYR 22 2.561 28.146 1.586 148 HA TYR 22 HA TYR 22 -0.171 29.205 2.158 149 HB2 TYR 22 HB2 TYR 22 1.515 29.038 -0.340 150 HB3 TYR 22 HB3 TYR 22 -0.253 29.173 -0.458 151 HD1 TYR 22 HD2 TYR 22 -0.889 31.014 1.730 152 HD2 TYR 22 HD1 TYR 22 2.350 31.094 -1.025 153 HE1 TYR 22 HE2 TYR 22 -0.727 33.454 2.004 154 HE2 TYR 22 HE1 TYR 22 2.525 33.532 -0.759 155 HH TYR 22 HH TYR 22 0.322 35.310 1.422 156 H THR 23 H THR 23 -1.756 27.802 2.407 157 HA THR 23 HA THR 23 -1.523 25.034 2.226 158 HB THR 23 HB THR 23 -4.159 25.284 1.662 159 HG1 THR 23 HG1 THR 23 -4.851 27.302 2.615 160 HG21 THR 23 HG21 THR 23 -4.195 24.522 3.762 161 HG22 THR 23 HG22 THR 23 -3.866 26.165 4.367 162 HG23 THR 23 HG23 THR 23 -2.517 25.065 3.993 163 HA PRO 24 HA PRO 24 -1.699 23.788 -1.985 164 HB2 PRO 24 HB2 PRO 24 -3.358 21.624 -1.894 165 HB3 PRO 24 HB3 PRO 24 -1.698 21.607 -1.238 166 HG2 PRO 24 HG2 PRO 24 -4.321 21.965 0.199 167 HG3 PRO 24 HG3 PRO 24 -2.898 20.984 0.664 168 HD2 PRO 24 HD2 PRO 24 -3.412 23.429 1.740 169 HD3 PRO 24 HD3 PRO 24 -1.748 22.810 1.492 170 H ARG 25 H ARG 25 -2.918 23.798 -3.896 171 HA ARG 25 HA ARG 25 -4.644 24.420 -5.279 172 HB2 ARG 25 HB2 ARG 25 -5.953 23.169 -3.026 173 HB3 ARG 25 HB3 ARG 25 -6.944 24.517 -3.621 174 HG2 ARG 25 HG2 ARG 25 -7.673 22.595 -4.781 175 HG3 ARG 25 HG3 ARG 25 -6.685 23.521 -5.937 176 HD2 ARG 25 HD2 ARG 25 -5.527 21.295 -4.254 177 HD3 ARG 25 HD3 ARG 25 -6.318 20.984 -5.819 178 HE ARG 25 HE ARG 25 -3.691 22.165 -5.358 179 HH11 ARG 25 HH11 ARG 25 -6.429 21.877 -7.567 180 HH12 ARG 25 HH12 ARG 25 -5.470 22.255 -9.001 181 HH21 ARG 25 HH21 ARG 25 -2.458 22.652 -7.214 182 HH22 ARG 25 HH22 ARG 25 -3.230 22.691 -8.801 183 H ARG 26 H ARG 26 -3.214 26.287 -3.342 184 HA ARG 26 HA ARG 26 -5.217 28.506 -3.438 185 HB2 ARG 26 HB2 ARG 26 -3.721 27.581 -1.284 186 HB3 ARG 26 HB3 ARG 26 -2.799 28.991 -1.845 187 HG2 ARG 26 HG2 ARG 26 -5.387 29.928 -1.863 188 HG3 ARG 26 HG3 ARG 26 -5.375 28.843 -0.453 189 HD2 ARG 26 HD2 ARG 26 -3.020 30.617 -0.722 190 HD3 ARG 26 HD3 ARG 26 -4.567 31.440 -0.407 191 HE ARG 26 HE ARG 26 -3.034 29.779 1.431 192 HH11 ARG 26 HH11 ARG 26 -6.236 30.995 0.574 193 HH12 ARG 26 HH12 ARG 26 -6.875 30.819 2.212 194 HH21 ARG 26 HH21 ARG 26 -3.865 29.555 3.543 195 HH22 ARG 26 HH22 ARG 26 -5.537 30.007 3.886 196 H ARG 27 H ARG 27 -4.615 30.529 -4.227 197 HA ARG 27 HA ARG 27 -2.823 30.473 -6.444 198 HB2 ARG 27 HB2 ARG 27 -4.638 32.039 -6.439 199 HB3 ARG 27 HB3 ARG 27 -4.102 32.755 -4.907 200 HG2 ARG 27 HG2 ARG 27 -2.230 33.791 -5.940 201 HG3 ARG 27 HG3 ARG 27 -2.453 32.854 -7.439 202 HD2 ARG 27 HD2 ARG 27 -4.678 33.984 -7.714 203 HD3 ARG 27 HD3 ARG 27 -4.261 35.020 -6.327 204 HE ARG 27 HE ARG 27 -3.337 35.286 -9.051 205 HH11 ARG 27 HH11 ARG 27 -2.418 35.718 -5.670 206 HH12 ARG 27 HH12 ARG 27 -1.250 36.996 -6.024 207 HH21 ARG 27 HH21 ARG 27 -1.829 36.937 -9.500 208 HH22 ARG 27 HH22 ARG 27 -0.919 37.684 -8.184 209 H CYS 28 H CYS 28 -0.715 30.881 -6.677 210 HA CYS 28 HA CYS 28 0.716 32.310 -4.514 211 HB2 CYS 28 HB2 CYS 28 2.474 30.548 -4.417 212 HB3 CYS 28 HB3 CYS 28 0.898 29.981 -3.824 213 H THR 29 H THR 29 3.044 32.706 -5.129 214 HA THR 29 HA THR 29 3.197 33.095 -8.096 215 HB THR 29 HB THR 29 2.943 35.239 -6.938 216 HG1 THR 29 HG1 THR 29 4.906 36.208 -7.751 217 HG21 THR 29 HG21 THR 29 5.586 34.767 -5.557 218 HG22 THR 29 HG22 THR 29 4.046 34.317 -4.785 219 HG23 THR 29 HG23 THR 29 4.358 36.013 -5.232 220 H SER 30 H SER 30 4.807 32.089 -5.146 221 HA SER 30 HA SER 30 7.122 31.209 -6.825 222 HB2 SER 30 HB2 SER 30 7.289 31.932 -3.879 223 HB3 SER 30 HB3 SER 30 8.629 31.649 -5.017 224 HG SER 30 HG SER 30 8.248 33.898 -4.629 225 H ALA 31 H ALA 31 7.791 29.139 -6.644 226 HA ALA 31 HA ALA 31 5.994 27.216 -5.553 227 HB1 ALA 31 HB1 ALA 31 8.106 25.689 -5.847 228 HB2 ALA 31 HB2 ALA 31 7.293 26.384 -7.271 229 HB3 ALA 31 HB3 ALA 31 8.787 27.126 -6.649 230 H ASP 32 H ASP 32 9.021 28.620 -4.313 231 HA ASP 32 HA ASP 32 9.419 26.930 -2.105 232 HB2 ASP 32 HB2 ASP 32 10.739 29.048 -3.058 233 HB3 ASP 32 HB3 ASP 32 9.865 29.874 -1.750 234 H GLN 33 H GLN 33 7.155 29.606 -2.546 235 HA GLN 33 HA GLN 33 6.415 29.865 0.212 236 HB2 GLN 33 HB2 GLN 33 4.966 30.525 -2.372 237 HB3 GLN 33 HB3 GLN 33 4.308 30.905 -0.769 238 HG2 GLN 33 HG2 GLN 33 6.053 32.425 -0.297 239 HG3 GLN 33 HG3 GLN 33 7.028 31.851 -1.669 240 HE21 GLN 33 HE21 GLN 33 7.246 33.794 -2.676 241 HE22 GLN 33 HE22 GLN 33 5.862 34.664 -3.425 242 H CYS 34 H CYS 34 5.134 27.907 -2.478 243 HA CYS 34 HA CYS 34 2.826 26.905 -1.251 244 HB2 CYS 34 HB2 CYS 34 3.282 26.419 -3.563 245 HB3 CYS 34 HB3 CYS 34 4.789 25.572 -3.150 246 H CYS 35 H CYS 35 2.405 25.670 0.447 247 HA CYS 35 HA CYS 35 4.336 24.863 2.298 248 HB2 CYS 35 HB2 CYS 35 1.569 24.763 2.117 249 HB3 CYS 35 HB3 CYS 35 2.021 23.047 2.195 250 H ARG 36 H ARG 36 5.883 23.392 2.296 251 HA ARG 36 HA ARG 36 6.245 21.559 0.141 252 HB2 ARG 36 HB2 ARG 36 7.536 22.115 2.761 253 HB3 ARG 36 HB3 ARG 36 7.783 20.481 2.112 254 HG2 ARG 36 HG2 ARG 36 9.008 21.222 0.322 255 HG3 ARG 36 HG3 ARG 36 8.214 22.816 0.296 256 HD2 ARG 36 HD2 ARG 36 9.388 23.282 2.505 257 HD3 ARG 36 HD3 ARG 36 10.345 21.813 2.199 258 HE ARG 36 HE ARG 36 10.661 23.235 -0.120 259 HH11 ARG 36 HH11 ARG 36 11.030 24.011 3.303 260 HH12 ARG 36 HH12 ARG 36 12.304 25.202 3.023 261 HH21 ARG 36 HH21 ARG 36 12.307 24.773 -0.477 262 HH22 ARG 36 HH22 ARG 36 13.025 25.631 0.890 263 HA PRO 37 HA PRO 37 3.924 17.982 1.200 264 HB2 PRO 37 HB2 PRO 37 5.636 15.961 0.550 265 HB3 PRO 37 HB3 PRO 37 4.818 16.973 -0.669 266 HG2 PRO 37 HG2 PRO 37 7.623 17.170 0.412 267 HG3 PRO 37 HG3 PRO 37 7.046 17.319 -1.276 268 HD2 PRO 37 HD2 PRO 37 7.643 19.478 0.268 269 HD3 PRO 37 HD3 PRO 37 6.363 19.508 -0.984 270 H TYR 38 H TYR 38 3.591 16.374 2.742 271 HA TYR 38 HA TYR 38 4.778 16.772 5.262 272 HB2 TYR 38 HB2 TYR 38 2.597 15.543 4.640 273 HB3 TYR 38 HB3 TYR 38 3.623 14.112 4.385 274 HD1 TYR 38 HD2 TYR 38 5.163 13.450 6.380 275 HD2 TYR 38 HD1 TYR 38 1.761 15.977 6.760 276 HE1 TYR 38 HE2 TYR 38 5.063 12.944 8.785 277 HE2 TYR 38 HE1 TYR 38 1.651 15.476 9.166 278 HH TYR 38 HH TYR 38 4.016 13.283 10.703 279 H ASP 39 H ASP 39 5.760 14.723 2.582 280 HA ASP 39 HA ASP 39 8.222 14.060 4.125 281 HB2 ASP 39 HB2 ASP 39 6.325 12.172 3.866 282 HB3 ASP 39 HB3 ASP 39 7.135 11.955 2.298 283 H THR 40 H THR 40 9.505 15.454 3.000 284 HA THR 40 HA THR 40 9.399 15.924 0.214 285 HB THR 40 HB THR 40 11.976 16.419 0.601 286 HG1 THR 40 HG1 THR 40 12.338 16.870 2.865 287 HG21 THR 40 HG21 THR 40 11.394 18.607 1.046 288 HG22 THR 40 HG22 THR 40 10.154 18.150 2.238 289 HG23 THR 40 HG23 THR 40 9.827 17.965 0.499 290 H THR 41 H THR 41 10.676 13.240 2.019 291 HA THR 41 HA THR 41 12.438 12.300 -0.099 292 HB THR 41 HB THR 41 12.621 10.240 1.239 293 HG1 THR 41 HG1 THR 41 10.728 11.463 3.025 294 HG21 THR 41 HG21 THR 41 12.661 12.502 3.229 295 HG22 THR 41 HG22 THR 41 13.771 12.507 1.838 296 HG23 THR 41 HG23 THR 41 13.820 11.169 3.010 297 H ALA 42 H ALA 42 9.066 12.225 0.462 298 HA ALA 42 HA ALA 42 8.796 10.181 -1.699 299 HB1 ALA 42 HB1 ALA 42 8.203 8.980 0.255 300 HB2 ALA 42 HB2 ALA 42 7.251 10.342 0.896 301 HB3 ALA 42 HB3 ALA 42 6.670 9.440 -0.524 302 H ALA 43 H ALA 43 8.757 13.200 -1.533 303 HA ALA 43 HA ALA 43 6.672 13.634 -3.412 304 HB1 ALA 43 HB1 ALA 43 5.228 15.149 -1.953 305 HB2 ALA 43 HB2 ALA 43 5.041 13.394 -1.724 306 HB3 ALA 43 HB3 ALA 43 5.989 14.347 -0.558 307 H PHE 44 H PHE 44 6.412 15.926 -3.993 308 HA PHE 44 HA PHE 44 8.651 17.608 -2.960 309 HB2 PHE 44 HB2 PHE 44 9.044 18.395 -5.307 310 HB3 PHE 44 HB3 PHE 44 9.439 16.680 -5.056 311 HD1 PHE 44 HD2 PHE 44 7.837 14.939 -5.865 312 HD2 PHE 44 HD1 PHE 44 7.423 19.052 -6.875 313 HE1 PHE 44 HE2 PHE 44 6.366 14.326 -7.738 314 HE2 PHE 44 HE1 PHE 44 5.950 18.447 -8.749 315 HZ PHE 44 HZ PHE 44 5.418 16.080 -9.182 316 H HIS 45 H HIS 45 8.396 19.923 -4.033 317 HA HIS 45 HA HIS 45 5.498 20.642 -3.838 318 HB2 HIS 45 HB2 HIS 45 6.004 22.550 -2.522 319 HB3 HIS 45 HB3 HIS 45 6.931 21.220 -1.793 320 HD2 HIS 45 HD2 HIS 45 7.570 24.502 -3.843 321 HE1 HIS 45 HE1 HIS 45 11.272 23.084 -2.336 322 HE2 HIS 45 HE2 HIS 45 10.111 24.998 -3.547 323 H GLY 46 H GLY 46 5.082 22.914 -4.708 324 HA2 GLY 46 HA2 GLY 46 6.756 24.267 -6.473 325 HA3 GLY 46 HA3 GLY 46 6.069 22.948 -7.441 326 H CYS 47 H CYS 47 5.656 25.631 -8.067 327 HA CYS 47 HA CYS 47 2.760 25.925 -7.371 328 HB2 CYS 47 HB2 CYS 47 4.987 27.911 -7.520 329 HB3 CYS 47 HB3 CYS 47 3.408 28.429 -8.145 330 H GLY 48 H GLY 48 1.421 25.607 -9.006 331 HA2 GLY 48 HA2 GLY 48 1.697 26.825 -11.554 332 HA3 GLY 48 HA3 GLY 48 2.350 25.181 -11.679 333 H ARG 49 H ARG 49 0.670 24.743 -13.213 334 HA ARG 49 HA ARG 49 -1.896 24.110 -11.821 335 HB2 ARG 49 HB2 ARG 49 -1.627 25.178 -14.656 336 HB3 ARG 49 HB3 ARG 49 -3.138 24.719 -13.846 337 HG2 ARG 49 HG2 ARG 49 -3.226 26.627 -12.623 338 HG3 ARG 49 HG3 ARG 49 -1.455 26.751 -12.482 339 HD2 ARG 49 HD2 ARG 49 -3.078 27.342 -14.976 340 HD3 ARG 49 HD3 ARG 49 -2.420 28.559 -13.856 341 HE ARG 49 HE ARG 49 -0.425 26.722 -14.952 342 HH11 ARG 49 HH11 ARG 49 -2.197 29.747 -15.372 343 HH12 ARG 49 HH12 ARG 49 -0.972 30.458 -16.427 344 HH21 ARG 49 HH21 ARG 49 1.151 27.646 -16.315 345 HH22 ARG 49 HH22 ARG 49 0.914 29.274 -16.961 346 H ILE 50 H ILE 50 -2.295 22.014 -11.853 347 HA ILE 50 HA ILE 50 -1.095 20.417 -14.081 348 HB ILE 50 HB ILE 50 -1.433 18.455 -12.497 349 HG12 ILE 50 HG12 ILE 50 -1.595 20.610 -10.364 350 HG13 ILE 50 HG13 ILE 50 -3.040 19.812 -11.024 351 HG21 ILE 50 HG21 ILE 50 0.678 20.095 -12.877 352 HG22 ILE 50 HG22 ILE 50 0.448 20.294 -11.125 353 HG23 ILE 50 HG23 ILE 50 0.715 18.673 -11.807 354 HD11 ILE 50 HD11 ILE 50 -2.392 18.766 -8.951 355 HD12 ILE 50 HD12 ILE 50 -2.125 17.632 -10.298 356 HD13 ILE 50 HD13 ILE 50 -0.747 18.487 -9.567 357 H TRP 51 H TRP 51 -4.021 21.358 -12.460 358 HA TRP 51 HA TRP 51 -5.559 19.263 -13.907 359 HB2 TRP 51 HB2 TRP 51 -6.328 21.240 -11.729 360 HB3 TRP 51 HB3 TRP 51 -7.489 20.168 -12.542 361 HD1 TRP 51 HD1 TRP 51 -5.174 20.274 -9.648 362 HE1 TRP 51 HE1 TRP 51 -4.953 17.937 -8.539 363 HE3 TRP 51 HE3 TRP 51 -7.374 17.489 -13.328 364 HZ2 TRP 51 HZ2 TRP 51 -5.651 15.277 -9.205 365 HZ3 TRP 51 HZ3 TRP 51 -7.558 15.056 -13.015 366 HH2 TRP 51 HH2 TRP 51 -6.714 13.974 -10.995 367 HA PRO 52 HA PRO 52 -7.020 21.981 -17.037 368 HB2 PRO 52 HB2 PRO 52 -9.563 21.060 -17.401 369 HB3 PRO 52 HB3 PRO 52 -8.116 20.160 -17.933 370 HG2 PRO 52 HG2 PRO 52 -9.794 19.796 -15.458 371 HG3 PRO 52 HG3 PRO 52 -9.114 18.559 -16.559 372 HD2 PRO 52 HD2 PRO 52 -7.973 19.187 -14.170 373 HD3 PRO 52 HD3 PRO 52 -7.015 18.668 -15.593 374 H LYS 53 H LYS 53 -8.647 21.771 -13.969 375 HA LYS 53 HA LYS 53 -10.587 23.856 -14.469 376 HB2 LYS 53 HB2 LYS 53 -10.378 21.996 -12.563 377 HB3 LYS 53 HB3 LYS 53 -9.557 23.316 -11.705 378 HG2 LYS 53 HG2 LYS 53 -11.458 24.591 -11.549 379 HG3 LYS 53 HG3 LYS 53 -12.197 23.867 -12.998 380 HD2 LYS 53 HD2 LYS 53 -11.775 22.384 -10.387 381 HD3 LYS 53 HD3 LYS 53 -13.286 23.220 -10.827 382 HE2 LYS 53 HE2 LYS 53 -13.304 21.802 -12.933 383 HE3 LYS 53 HE3 LYS 53 -11.988 20.853 -12.199 384 HZ1 LYS 53 HZ1 LYS 53 -13.703 20.789 -10.211 385 HZ2 LYS 53 HZ2 LYS 53 -13.772 19.671 -11.478 386 HZ3 LYS 53 HZ3 LYS 53 -14.822 20.998 -11.463 387 H ASP 54 H ASP 54 -7.414 23.763 -12.810 388 HA ASP 54 HA ASP 54 -7.401 26.560 -12.171 389 HB2 ASP 54 HB2 ASP 54 -5.061 24.649 -12.562 390 HB3 ASP 54 HB3 ASP 54 -4.988 26.233 -11.755 391 H LYS 55 H LYS 55 -6.437 24.709 -15.010 392 HA LYS 55 HA LYS 55 -4.831 26.650 -16.293 393 HB2 LYS 55 HB2 LYS 55 -5.515 24.156 -16.914 394 HB3 LYS 55 HB3 LYS 55 -6.733 24.980 -17.908 395 HG2 LYS 55 HG2 LYS 55 -5.110 26.028 -19.240 396 HG3 LYS 55 HG3 LYS 55 -3.810 25.698 -18.068 397 HD2 LYS 55 HD2 LYS 55 -4.400 23.192 -18.536 398 HD3 LYS 55 HD3 LYS 55 -5.144 23.838 -20.018 399 HE2 LYS 55 HE2 LYS 55 -2.349 24.645 -19.264 400 HE3 LYS 55 HE3 LYS 55 -2.643 23.065 -20.029 401 HZ1 LYS 55 HZ1 LYS 55 -2.686 24.105 -21.970 402 HZ2 LYS 55 HZ2 LYS 55 -2.523 25.617 -21.231 403 HZ3 LYS 55 HZ3 LYS 55 -4.063 24.964 -21.489 404 H ARG 56 H ARG 56 -8.369 26.182 -16.327 405 HA ARG 56 HA ARG 56 -8.953 28.194 -18.249 406 HB2 ARG 56 HB2 ARG 56 -10.696 27.462 -15.873 407 HB3 ARG 56 HB3 ARG 56 -11.214 28.085 -17.453 408 HG2 ARG 56 HG2 ARG 56 -9.920 25.831 -18.220 409 HG3 ARG 56 HG3 ARG 56 -10.517 25.337 -16.616 410 HD2 ARG 56 HD2 ARG 56 -12.786 25.914 -17.237 411 HD3 ARG 56 HD3 ARG 56 -12.229 26.567 -18.795 412 HE ARG 56 HE ARG 56 -11.339 23.934 -18.761 413 HH11 ARG 56 HH11 ARG 56 -14.436 25.603 -18.464 414 HH12 ARG 56 HH12 ARG 56 -15.357 24.276 -19.182 415 HH21 ARG 56 HH21 ARG 56 -12.535 22.225 -19.685 416 HH22 ARG 56 HH22 ARG 56 -14.286 22.371 -19.869 417 H GLU 57 H GLU 57 -8.066 28.376 -14.876 418 HA GLU 57 HA GLU 57 -8.963 31.175 -14.656 419 HB2 GLU 57 HB2 GLU 57 -7.272 29.633 -12.667 420 HB3 GLU 57 HB3 GLU 57 -8.302 31.046 -12.368 421 HG2 GLU 57 HG2 GLU 57 -10.241 29.508 -13.135 422 HG3 GLU 57 HG3 GLU 57 -9.091 28.185 -12.833 423 H LYS 58 H LYS 58 -6.132 29.378 -15.507 424 HA LYS 58 HA LYS 58 -4.008 30.029 -16.088 425 HB2 LYS 58 HB2 LYS 58 -5.380 32.722 -16.429 426 HB3 LYS 58 HB3 LYS 58 -3.738 32.353 -16.987 427 HG2 LYS 58 HG2 LYS 58 -5.926 30.544 -17.884 428 HG3 LYS 58 HG3 LYS 58 -5.870 32.185 -18.574 429 HD2 LYS 58 HD2 LYS 58 -4.500 31.140 -20.068 430 HD3 LYS 58 HD3 LYS 58 -3.282 31.547 -18.833 431 HE2 LYS 58 HE2 LYS 58 -3.446 29.325 -17.880 432 HE3 LYS 58 HE3 LYS 58 -4.777 28.912 -18.987 433 HZ1 LYS 58 HZ1 LYS 58 -3.172 29.303 -20.842 434 HZ2 LYS 58 HZ2 LYS 58 -2.790 27.980 -19.858 435 HZ3 LYS 58 HZ3 LYS 58 -1.935 29.431 -19.695 436 H VAL 59 H VAL 59 -4.356 29.798 -13.400 437 HA VAL 59 HA VAL 59 -2.494 31.903 -12.424 438 HB VAL 59 HB VAL 59 -4.664 32.651 -11.639 439 HG11 VAL 59 HG11 VAL 59 -5.246 29.896 -11.503 440 HG12 VAL 59 HG12 VAL 59 -5.341 30.506 -9.832 441 HG13 VAL 59 HG13 VAL 59 -6.321 31.258 -11.112 442 HG21 VAL 59 HG21 VAL 59 -3.728 31.438 -9.117 443 HG22 VAL 59 HG22 VAL 59 -2.465 32.257 -10.067 444 HG23 VAL 59 HG23 VAL 59 -3.922 33.149 -9.569 445 H ASP 60 H ASP 60 -0.756 31.007 -11.567 446 HA ASP 60 HA ASP 60 -0.607 28.164 -11.119 447 HB2 ASP 60 HB2 ASP 60 1.263 30.444 -10.375 448 HB3 ASP 60 HB3 ASP 60 1.656 28.726 -10.151 449 H ARG 61 H ARG 61 -1.212 27.010 -9.428 450 HA ARG 61 HA ARG 61 -1.454 28.436 -6.807 451 HB2 ARG 61 HB2 ARG 61 -3.114 26.063 -7.725 452 HB3 ARG 61 HB3 ARG 61 -3.346 27.041 -6.261 453 HG2 ARG 61 HG2 ARG 61 -3.400 28.769 -8.547 454 HG3 ARG 61 HG3 ARG 61 -4.499 27.395 -8.824 455 HD2 ARG 61 HD2 ARG 61 -5.075 28.016 -6.232 456 HD3 ARG 61 HD3 ARG 61 -4.667 29.620 -6.886 457 HE ARG 61 HE ARG 61 -6.616 29.605 -8.127 458 HH11 ARG 61 HH11 ARG 61 -5.888 26.356 -6.952 459 HH12 ARG 61 HH12 ARG 61 -7.436 25.687 -7.480 460 HH21 ARG 61 HH21 ARG 61 -8.611 28.735 -8.804 461 HH22 ARG 61 HH22 ARG 61 -8.971 27.027 -8.524 462 H CYS 62 H CYS 62 -1.087 27.171 -4.893 463 HA CYS 62 HA CYS 62 1.272 25.595 -5.059 464 HB2 CYS 62 HB2 CYS 62 0.739 26.731 -3.008 465 HB3 CYS 62 HB3 CYS 62 -0.820 25.889 -2.874 466 H TYR 63 H TYR 63 1.660 23.518 -5.444 467 HA TYR 63 HA TYR 63 -0.594 21.593 -5.162 468 HB2 TYR 63 HB2 TYR 63 -0.231 20.629 -7.317 469 HB3 TYR 63 HB3 TYR 63 -0.351 22.385 -7.567 470 HD1 TYR 63 HD2 TYR 63 1.932 19.493 -7.537 471 HD2 TYR 63 HD1 TYR 63 1.547 23.657 -8.324 472 HE1 TYR 63 HE2 TYR 63 4.101 19.469 -8.696 473 HE2 TYR 63 HE1 TYR 63 3.714 23.644 -9.486 474 HH TYR 63 HH TYR 63 5.731 20.718 -9.593 475 H ILE 64 H ILE 64 0.054 19.375 -4.969 476 HA ILE 64 HA ILE 64 2.944 18.918 -4.499 477 HB ILE 64 HB ILE 64 0.823 18.364 -2.396 478 HG12 ILE 64 HG12 ILE 64 3.233 20.226 -2.387 479 HG13 ILE 64 HG13 ILE 64 1.533 20.727 -2.494 480 HG21 ILE 64 HG21 ILE 64 3.785 17.713 -2.453 481 HG22 ILE 64 HG22 ILE 64 2.724 17.543 -1.034 482 HG23 ILE 64 HG23 ILE 64 2.434 16.551 -2.485 483 HD11 ILE 64 HD11 ILE 64 1.497 20.859 -0.284 484 HD12 ILE 64 HD12 ILE 64 1.720 19.095 -0.210 485 HD13 ILE 64 HD13 ILE 64 3.135 20.175 -0.176 486 H CYS 65 H CYS 65 3.603 16.953 -5.119 487 HA CYS 65 HA CYS 65 1.498 14.869 -5.515 488 HB2 CYS 65 HB2 CYS 65 3.725 15.623 -7.445 489 HB3 CYS 65 HB3 CYS 65 2.696 14.186 -7.606 490 H ASN 66 H ASN 66 2.459 12.657 -5.820 491 HA ASN 66 HA ASN 66 4.381 12.227 -3.665 492 HB2 ASN 66 HB2 ASN 66 4.001 9.841 -4.103 493 HB3 ASN 66 HB3 ASN 66 2.454 10.712 -4.010 494 HD21 ASN 66 HD21 ASN 66 2.748 8.198 -5.180 495 HD22 ASN 66 HD22 ASN 66 2.438 8.367 -6.944 496 H ASN 67 H ASN 67 6.241 10.708 -3.962 497 HA ASN 67 HA ASN 67 8.095 11.811 -5.795 498 HB2 ASN 67 HB2 ASN 67 9.578 9.999 -5.139 499 HB3 ASN 67 HB3 ASN 67 8.679 10.556 -3.712 500 HD21 ASN 67 HD21 ASN 67 7.349 9.202 -2.643 501 HD22 ASN 67 HD22 ASN 67 7.138 7.472 -3.090 502 H GLU 68 H GLU 68 5.815 9.156 -6.110 503 HA GLU 68 HA GLU 68 7.041 8.129 -8.552 504 HB2 GLU 68 HB2 GLU 68 4.211 7.616 -7.591 505 HB3 GLU 68 HB3 GLU 68 5.225 6.585 -8.619 506 HG2 GLU 68 HG2 GLU 68 6.798 6.471 -6.567 507 HG3 GLU 68 HG3 GLU 68 5.390 7.063 -5.656 508 H LYS 69 H LYS 69 5.177 10.830 -7.801 509 HA LYS 69 HA LYS 69 4.002 12.338 -9.073 510 HB2 LYS 69 HB2 LYS 69 5.853 11.075 -11.090 511 HB3 LYS 69 HB3 LYS 69 4.642 12.259 -11.623 512 HG2 LYS 69 HG2 LYS 69 5.606 13.787 -9.796 513 HG3 LYS 69 HG3 LYS 69 6.976 12.651 -9.759 514 HD2 LYS 69 HD2 LYS 69 6.905 13.010 -12.381 515 HD3 LYS 69 HD3 LYS 69 6.094 14.526 -11.923 516 HE2 LYS 69 HE2 LYS 69 7.994 15.074 -10.442 517 HE3 LYS 69 HE3 LYS 69 8.807 13.575 -10.953 518 HZ1 LYS 69 HZ1 LYS 69 9.535 15.626 -12.140 519 HZ2 LYS 69 HZ2 LYS 69 7.997 15.732 -12.837 520 HZ3 LYS 69 HZ3 LYS 69 8.984 14.397 -13.162 521 H THR 70 H THR 70 2.852 9.672 -8.591 522 HA THR 70 HA THR 70 1.172 9.361 -11.036 523 HB THR 70 HB THR 70 0.491 7.204 -10.149 524 HG1 THR 70 HG1 THR 70 1.409 6.471 -8.128 525 HG21 THR 70 HG21 THR 70 3.073 7.849 -10.977 526 HG22 THR 70 HG22 THR 70 2.366 6.217 -10.890 527 HG23 THR 70 HG23 THR 70 3.324 6.847 -9.527 528 H LEU 71 H LEU 71 1.096 10.124 -7.593 529 HA LEU 71 HA LEU 71 -1.833 10.676 -7.883 530 HB2 LEU 71 HB2 LEU 71 -0.824 8.884 -6.191 531 HB3 LEU 71 HB3 LEU 71 -0.569 10.336 -5.196 532 HG LEU 71 HG LEU 71 -3.285 9.842 -6.358 533 HD11 LEU 71 HD11 LEU 71 -1.978 8.263 -4.159 534 HD12 LEU 71 HD12 LEU 71 -3.016 7.704 -5.493 535 HD13 LEU 71 HD13 LEU 71 -3.726 8.596 -4.127 536 HD21 LEU 71 HD21 LEU 71 -3.000 11.902 -5.202 537 HD22 LEU 71 HD22 LEU 71 -2.161 11.106 -3.848 538 HD23 LEU 71 HD23 LEU 71 -3.899 10.822 -4.108 539 H CYS 72 H CYS 72 -2.602 12.651 -7.356 540 HA CYS 72 HA CYS 72 -0.746 14.554 -6.025 541 HB2 CYS 72 HB2 CYS 72 -2.196 15.113 -8.643 542 HB3 CYS 72 HB3 CYS 72 -1.269 16.301 -7.702 543 H THR 73 H THR 73 -1.866 16.608 -5.406 544 HA THR 73 HA THR 73 -4.107 16.062 -3.810 545 HB THR 73 HB THR 73 -4.409 18.752 -4.314 546 HG1 THR 73 HG1 THR 73 -2.220 19.536 -4.539 547 HG21 THR 73 HG21 THR 73 -3.863 17.340 -2.172 548 HG22 THR 73 HG22 THR 73 -3.423 19.063 -2.234 549 HG23 THR 73 HG23 THR 73 -2.183 17.819 -2.520 550 H SER 74 H SER 74 -6.290 16.220 -3.999 551 HA SER 74 HA SER 74 -7.479 15.746 -6.504 552 HB2 SER 74 HB2 SER 74 -8.787 15.130 -4.665 553 HB3 SER 74 HB3 SER 74 -8.541 16.688 -3.841 554 HG SER 74 HG SER 74 -10.661 16.480 -4.740 555 H VAL 75 H VAL 75 -8.774 16.987 -7.900 556 HA VAL 75 HA VAL 75 -7.728 19.486 -8.633 557 HB VAL 75 HB VAL 75 -9.170 18.029 -10.065 558 HG11 VAL 75 HG11 VAL 75 -11.502 17.931 -9.846 559 HG12 VAL 75 HG12 VAL 75 -10.903 17.753 -8.178 560 HG13 VAL 75 HG13 VAL 75 -11.549 19.316 -8.729 561 HG21 VAL 75 HG21 VAL 75 -10.192 19.839 -11.289 562 HG22 VAL 75 HG22 VAL 75 -10.187 20.877 -9.843 563 HG23 VAL 75 HG23 VAL 75 -8.651 20.412 -10.608 564 H MET 76 H MET 76 -10.199 18.681 -6.270 565 HA MET 76 HA MET 76 -10.327 21.581 -5.577 566 HB2 MET 76 HB2 MET 76 -12.620 19.644 -5.953 567 HB3 MET 76 HB3 MET 76 -12.777 21.066 -4.901 568 HG2 MET 76 HG2 MET 76 -12.304 22.543 -6.762 569 HG3 MET 76 HG3 MET 76 -12.009 21.152 -7.828 570 HE1 MET 76 HE1 MET 76 -15.639 23.461 -7.567 571 HE2 MET 76 HE2 MET 76 -15.221 23.079 -5.879 572 HE3 MET 76 HE3 MET 76 -13.997 23.787 -6.961 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 4.324 -0.637 -0.025 2 H2 GLY 1 H2 GLY 1 3.191 -1.702 -0.705 3 H3 GLY 1 H3 GLY 1 3.920 -0.510 -1.669 4 HA2 GLY 1 HA2 GLY 1 1.645 -0.371 0.014 5 HA3 GLY 1 HA3 GLY 1 2.843 0.884 0.379 6 H THR 2 H THR 2 0.096 0.866 -0.934 7 HA THR 2 HA THR 2 0.809 1.898 -3.621 8 HB THR 2 HB THR 2 -1.847 2.227 -3.576 9 HG1 THR 2 HG1 THR 2 -2.768 0.488 -2.316 10 HG21 THR 2 HG21 THR 2 -0.448 0.743 -5.062 11 HG22 THR 2 HG22 THR 2 -2.061 0.105 -4.671 12 HG23 THR 2 HG23 THR 2 -0.626 -0.537 -3.838 13 HA PRO 3 HA PRO 3 0.484 6.164 -2.608 14 HB2 PRO 3 HB2 PRO 3 -0.810 7.173 -4.788 15 HB3 PRO 3 HB3 PRO 3 0.883 6.613 -4.834 16 HG2 PRO 3 HG2 PRO 3 -1.625 5.191 -5.702 17 HG3 PRO 3 HG3 PRO 3 -0.033 5.281 -6.516 18 HD2 PRO 3 HD2 PRO 3 -0.819 3.122 -5.057 19 HD3 PRO 3 HD3 PRO 3 0.891 3.646 -5.167 20 H SER 4 H SER 4 -0.814 7.584 -1.555 21 HA SER 4 HA SER 4 -3.741 7.361 -1.869 22 HB2 SER 4 HB2 SER 4 -2.251 6.694 0.681 23 HB3 SER 4 HB3 SER 4 -3.928 7.294 0.715 24 HG SER 4 HG SER 4 -3.512 5.266 -1.113 25 H ALA 5 H ALA 5 -4.825 8.994 -0.272 26 HA ALA 5 HA ALA 5 -3.927 11.574 -0.990 27 HB1 ALA 5 HB1 ALA 5 -6.221 10.711 -0.063 28 HB2 ALA 5 HB2 ALA 5 -5.530 11.159 1.515 29 HB3 ALA 5 HB3 ALA 5 -5.708 12.388 0.239 30 H ASP 6 H ASP 6 -2.942 9.474 1.599 31 HA ASP 6 HA ASP 6 -1.884 11.528 3.331 32 HB2 ASP 6 HB2 ASP 6 -2.441 9.041 3.854 33 HB3 ASP 6 HB3 ASP 6 -0.827 8.697 3.195 34 H GLN 7 H GLN 7 -0.748 9.916 0.456 35 HA GLN 7 HA GLN 7 2.058 10.534 0.885 36 HB2 GLN 7 HB2 GLN 7 0.399 9.531 -1.419 37 HB3 GLN 7 HB3 GLN 7 2.057 10.095 -1.712 38 HG2 GLN 7 HG2 GLN 7 2.609 8.479 0.301 39 HG3 GLN 7 HG3 GLN 7 1.081 7.712 -0.197 40 HE21 GLN 7 HE21 GLN 7 3.999 6.914 -0.309 41 HE22 GLN 7 HE22 GLN 7 4.235 6.417 -2.020 42 H VAL 8 H VAL 8 -0.714 12.187 -0.460 43 HA VAL 8 HA VAL 8 1.033 14.272 -1.650 44 HB VAL 8 HB VAL 8 -1.108 15.259 -2.470 45 HG11 VAL 8 HG11 VAL 8 -1.610 13.444 -4.100 46 HG12 VAL 8 HG12 VAL 8 0.131 13.769 -3.913 47 HG13 VAL 8 HG13 VAL 8 -0.598 12.344 -3.133 48 HG21 VAL 8 HG21 VAL 8 -2.560 14.410 -0.665 49 HG22 VAL 8 HG22 VAL 8 -3.182 13.988 -2.276 50 HG23 VAL 8 HG23 VAL 8 -2.358 12.756 -1.291 51 H ARG 9 H ARG 9 0.707 13.770 1.303 52 HA ARG 9 HA ARG 9 -0.847 16.007 2.310 53 HB2 ARG 9 HB2 ARG 9 1.083 14.020 3.500 54 HB3 ARG 9 HB3 ARG 9 0.581 15.438 4.439 55 HG2 ARG 9 HG2 ARG 9 -1.444 13.610 3.161 56 HG3 ARG 9 HG3 ARG 9 -0.717 13.239 4.744 57 HD2 ARG 9 HD2 ARG 9 -1.726 15.034 5.781 58 HD3 ARG 9 HD3 ARG 9 -1.856 15.969 4.273 59 HE ARG 9 HE ARG 9 -3.494 13.561 4.284 60 HH11 ARG 9 HH11 ARG 9 -3.288 16.953 5.244 61 HH12 ARG 9 HH12 ARG 9 -5.039 17.179 5.269 62 HH21 ARG 9 HH21 ARG 9 -5.755 13.861 4.318 63 HH22 ARG 9 HH22 ARG 9 -6.431 15.436 4.746 64 H TYR 10 H TYR 10 0.470 17.413 4.063 65 HA TYR 10 HA TYR 10 2.986 18.390 2.840 66 HB2 TYR 10 HB2 TYR 10 2.255 20.662 2.656 67 HB3 TYR 10 HB3 TYR 10 1.033 19.665 1.835 68 HD1 TYR 10 HD1 TYR 10 1.748 21.696 4.831 69 HD2 TYR 10 HD2 TYR 10 -1.207 19.513 2.687 70 HE1 TYR 10 HE1 TYR 10 -0.003 22.705 6.230 71 HE2 TYR 10 HE2 TYR 10 -2.968 20.517 4.079 72 HH TYR 10 HH TYR 10 -2.192 22.503 6.882 73 H ASN 11 H ASN 11 4.161 19.898 4.220 74 HA ASN 11 HA ASN 11 3.414 19.519 7.095 75 HB2 ASN 11 HB2 ASN 11 5.678 19.200 7.670 76 HB3 ASN 11 HB3 ASN 11 5.478 18.257 6.177 77 HD21 ASN 11 HD21 ASN 11 7.756 19.750 7.601 78 HD22 ASN 11 HD22 ASN 11 8.506 20.694 6.266 79 H TYR 12 H TYR 12 3.638 21.229 8.493 80 HA TYR 12 HA TYR 12 3.591 23.859 7.228 81 HB2 TYR 12 HB2 TYR 12 3.329 22.878 10.084 82 HB3 TYR 12 HB3 TYR 12 3.385 24.610 9.684 83 HD1 TYR 12 HD2 TYR 12 1.666 25.385 7.855 84 HD2 TYR 12 HD1 TYR 12 1.275 21.815 10.136 85 HE1 TYR 12 HE2 TYR 12 -0.750 25.362 7.396 86 HE2 TYR 12 HE1 TYR 12 -1.142 21.782 9.683 87 HH TYR 12 HH TYR 12 -2.720 24.428 7.902 88 H THR 13 H THR 13 5.341 24.953 6.694 89 HA THR 13 HA THR 13 7.714 24.725 8.504 90 HB THR 13 HB THR 13 9.206 24.875 6.646 91 HG1 THR 13 HG1 THR 13 8.371 25.097 4.476 92 HG21 THR 13 HG21 THR 13 8.814 22.827 5.520 93 HG22 THR 13 HG22 THR 13 7.048 22.990 5.672 94 HG23 THR 13 HG23 THR 13 8.037 22.648 7.112 95 H GLU 14 H GLU 14 9.264 26.608 8.209 96 HA GLU 14 HA GLU 14 7.626 29.082 8.286 97 HB2 GLU 14 HB2 GLU 14 9.833 28.090 9.789 98 HB3 GLU 14 HB3 GLU 14 10.401 29.528 8.917 99 HG2 GLU 14 HG2 GLU 14 8.393 30.750 9.818 100 HG3 GLU 14 HG3 GLU 14 8.077 29.327 10.839 101 H LEU 15 H LEU 15 8.155 30.960 7.140 102 HA LEU 15 HA LEU 15 9.909 30.445 4.771 103 HB2 LEU 15 HB2 LEU 15 7.280 31.866 5.077 104 HB3 LEU 15 HB3 LEU 15 8.409 32.365 3.794 105 HG LEU 15 HG LEU 15 7.425 29.519 4.095 106 HD11 LEU 15 HD11 LEU 15 5.551 31.195 3.792 107 HD12 LEU 15 HD12 LEU 15 5.698 29.950 2.527 108 HD13 LEU 15 HD13 LEU 15 6.286 31.602 2.225 109 HD21 LEU 15 HD21 LEU 15 9.528 30.176 2.752 110 HD22 LEU 15 HD22 LEU 15 8.387 30.916 1.604 111 HD23 LEU 15 HD23 LEU 15 8.295 29.172 1.954 112 HA PRO 16 HA PRO 16 12.378 33.928 5.816 113 HB2 PRO 16 HB2 PRO 16 12.912 34.999 3.364 114 HB3 PRO 16 HB3 PRO 16 13.628 33.468 3.934 115 HG2 PRO 16 HG2 PRO 16 11.275 33.918 2.107 116 HG3 PRO 16 HG3 PRO 16 12.615 32.739 1.963 117 HD2 PRO 16 HD2 PRO 16 10.153 32.059 2.901 118 HD3 PRO 16 HD3 PRO 16 11.659 31.273 3.474 119 H ASN 17 H ASN 17 9.293 34.280 4.438 120 HA ASN 17 HA ASN 17 9.417 37.244 4.496 121 HB2 ASN 17 HB2 ASN 17 6.874 36.790 3.809 122 HB3 ASN 17 HB3 ASN 17 8.195 36.697 2.623 123 HD21 ASN 17 HD21 ASN 17 5.861 34.939 4.521 124 HD22 ASN 17 HD22 ASN 17 6.075 33.363 3.684 125 H GLY 18 H GLY 18 8.999 34.817 6.678 126 HA2 GLY 18 HA2 GLY 18 8.459 35.343 8.968 127 HA3 GLY 18 HA3 GLY 18 7.362 36.617 8.403 128 H GLU 19 H GLU 19 6.262 34.746 6.310 129 HA GLU 19 HA GLU 19 4.186 33.623 8.044 130 HB2 GLU 19 HB2 GLU 19 4.483 33.332 5.036 131 HB3 GLU 19 HB3 GLU 19 3.010 33.117 6.001 132 HG2 GLU 19 HG2 GLU 19 4.508 35.717 5.606 133 HG3 GLU 19 HG3 GLU 19 3.005 35.237 4.783 134 H TYR 20 H TYR 20 3.317 31.355 7.174 135 HA TYR 20 HA TYR 20 5.580 29.510 7.677 136 HB2 TYR 20 HB2 TYR 20 2.636 29.459 8.080 137 HB3 TYR 20 HB3 TYR 20 3.368 27.912 7.601 138 HD1 TYR 20 HD2 TYR 20 3.268 30.520 10.201 139 HD2 TYR 20 HD1 TYR 20 4.825 26.717 9.100 140 HE1 TYR 20 HE2 TYR 20 3.972 30.141 12.527 141 HE2 TYR 20 HE1 TYR 20 5.531 26.327 11.423 142 HH TYR 20 HH TYR 20 4.947 28.772 13.963 143 H CYS 21 H CYS 21 2.631 29.310 5.638 144 HA CYS 21 HA CYS 21 4.050 29.031 3.179 145 HB2 CYS 21 HB2 CYS 21 3.941 26.673 2.752 146 HB3 CYS 21 HB3 CYS 21 4.748 26.879 4.322 147 H TYR 22 H TYR 22 2.674 28.728 1.383 148 HA TYR 22 HA TYR 22 -0.101 29.461 1.985 149 HB2 TYR 22 HB2 TYR 22 1.576 29.250 -0.514 150 HB3 TYR 22 HB3 TYR 22 -0.193 29.366 -0.636 151 HD1 TYR 22 HD2 TYR 22 -0.900 31.255 1.450 152 HD2 TYR 22 HD1 TYR 22 2.449 31.286 -1.174 153 HE1 TYR 22 HE2 TYR 22 -0.755 33.700 1.672 154 HE2 TYR 22 HE1 TYR 22 2.603 33.731 -0.959 155 HH TYR 22 HH TYR 22 0.230 35.565 0.975 156 H THR 23 H THR 23 -1.704 28.080 2.249 157 HA THR 23 HA THR 23 -1.494 25.307 2.137 158 HB THR 23 HB THR 23 -4.138 25.630 1.506 159 HG1 THR 23 HG1 THR 23 -4.765 27.624 2.547 160 HG21 THR 23 HG21 THR 23 -3.622 24.516 3.486 161 HG22 THR 23 HG22 THR 23 -4.379 26.015 4.077 162 HG23 THR 23 HG23 THR 23 -2.607 25.846 4.090 163 HA PRO 24 HA PRO 24 -1.666 23.954 -2.039 164 HB2 PRO 24 HB2 PRO 24 -3.362 21.820 -1.908 165 HB3 PRO 24 HB3 PRO 24 -1.709 21.793 -1.238 166 HG2 PRO 24 HG2 PRO 24 -4.337 22.233 0.167 167 HG3 PRO 24 HG3 PRO 24 -2.936 21.239 0.669 168 HD2 PRO 24 HD2 PRO 24 -3.415 23.719 1.678 169 HD3 PRO 24 HD3 PRO 24 -1.760 23.067 1.462 170 H ARG 25 H ARG 25 -2.945 23.757 -3.957 171 HA ARG 25 HA ARG 25 -4.618 24.437 -5.372 172 HB2 ARG 25 HB2 ARG 25 -6.132 23.635 -2.911 173 HB3 ARG 25 HB3 ARG 25 -7.008 24.509 -4.183 174 HG2 ARG 25 HG2 ARG 25 -7.374 22.300 -4.752 175 HG3 ARG 25 HG3 ARG 25 -5.976 22.724 -5.772 176 HD2 ARG 25 HD2 ARG 25 -5.698 20.530 -4.690 177 HD3 ARG 25 HD3 ARG 25 -4.461 21.697 -4.161 178 HE ARG 25 HE ARG 25 -5.254 21.533 -2.004 179 HH11 ARG 25 HH11 ARG 25 -7.676 20.321 -4.270 180 HH12 ARG 25 HH12 ARG 25 -8.749 19.732 -2.996 181 HH21 ARG 25 HH21 ARG 25 -6.644 20.769 -0.366 182 HH22 ARG 25 HH22 ARG 25 -8.169 19.986 -0.794 183 H ARG 26 H ARG 26 -3.183 26.349 -3.499 184 HA ARG 26 HA ARG 26 -5.180 28.573 -3.643 185 HB2 ARG 26 HB2 ARG 26 -3.668 27.703 -1.475 186 HB3 ARG 26 HB3 ARG 26 -2.748 29.093 -2.081 187 HG2 ARG 26 HG2 ARG 26 -5.388 29.971 -2.095 188 HG3 ARG 26 HG3 ARG 26 -5.247 29.008 -0.602 189 HD2 ARG 26 HD2 ARG 26 -3.303 30.311 0.082 190 HD3 ARG 26 HD3 ARG 26 -3.364 31.235 -1.438 191 HE ARG 26 HE ARG 26 -4.979 32.583 -0.513 192 HH11 ARG 26 HH11 ARG 26 -4.856 29.516 1.232 193 HH12 ARG 26 HH12 ARG 26 -6.028 30.022 2.453 194 HH21 ARG 26 HH21 ARG 26 -6.491 33.230 1.066 195 HH22 ARG 26 HH22 ARG 26 -6.951 32.117 2.358 196 H ARG 27 H ARG 27 -4.604 30.545 -4.539 197 HA ARG 27 HA ARG 27 -2.741 30.397 -6.713 198 HB2 ARG 27 HB2 ARG 27 -4.648 31.854 -6.878 199 HB3 ARG 27 HB3 ARG 27 -4.181 32.729 -5.408 200 HG2 ARG 27 HG2 ARG 27 -2.302 33.723 -6.503 201 HG3 ARG 27 HG3 ARG 27 -2.520 32.685 -7.936 202 HD2 ARG 27 HD2 ARG 27 -3.448 34.729 -8.586 203 HD3 ARG 27 HD3 ARG 27 -4.860 33.762 -8.097 204 HE ARG 27 HE ARG 27 -4.182 35.091 -5.792 205 HH11 ARG 27 HH11 ARG 27 -4.812 36.075 -9.123 206 HH12 ARG 27 HH12 ARG 27 -5.449 37.657 -8.663 207 HH21 ARG 27 HH21 ARG 27 -5.004 37.135 -5.205 208 HH22 ARG 27 HH22 ARG 27 -5.557 38.255 -6.455 209 H CYS 28 H CYS 28 -0.612 30.528 -6.680 210 HA CYS 28 HA CYS 28 0.639 32.266 -4.596 211 HB2 CYS 28 HB2 CYS 28 2.522 30.586 -4.514 212 HB3 CYS 28 HB3 CYS 28 0.984 30.010 -3.835 213 H THR 29 H THR 29 2.992 32.736 -5.143 214 HA THR 29 HA THR 29 3.175 33.206 -8.094 215 HB THR 29 HB THR 29 4.386 35.241 -7.669 216 HG1 THR 29 HG1 THR 29 4.525 34.184 -5.056 217 HG21 THR 29 HG21 THR 29 2.496 36.383 -7.314 218 HG22 THR 29 HG22 THR 29 2.426 35.846 -5.618 219 HG23 THR 29 HG23 THR 29 1.715 34.837 -6.899 220 H SER 30 H SER 30 4.719 31.999 -5.210 221 HA SER 30 HA SER 30 7.013 31.135 -6.912 222 HB2 SER 30 HB2 SER 30 7.517 31.814 -4.028 223 HB3 SER 30 HB3 SER 30 8.625 31.867 -5.419 224 HG SER 30 HG SER 30 6.582 33.723 -4.692 225 H ALA 31 H ALA 31 7.790 29.101 -6.542 226 HA ALA 31 HA ALA 31 6.016 27.226 -5.330 227 HB1 ALA 31 HB1 ALA 31 8.840 27.086 -6.356 228 HB2 ALA 31 HB2 ALA 31 8.103 25.691 -5.532 229 HB3 ALA 31 HB3 ALA 31 7.360 26.347 -7.011 230 H ASP 32 H ASP 32 8.922 28.877 -4.153 231 HA ASP 32 HA ASP 32 9.437 27.339 -1.859 232 HB2 ASP 32 HB2 ASP 32 10.715 29.370 -2.837 233 HB3 ASP 32 HB3 ASP 32 9.616 30.361 -1.853 234 H GLN 33 H GLN 33 7.006 29.858 -2.414 235 HA GLN 33 HA GLN 33 6.201 30.052 0.348 236 HB2 GLN 33 HB2 GLN 33 4.521 30.662 -2.108 237 HB3 GLN 33 HB3 GLN 33 4.325 31.326 -0.474 238 HG2 GLN 33 HG2 GLN 33 6.352 32.584 -0.661 239 HG3 GLN 33 HG3 GLN 33 6.770 31.780 -2.192 240 HE21 GLN 33 HE21 GLN 33 5.112 34.351 -0.665 241 HE22 GLN 33 HE22 GLN 33 4.376 35.059 -2.144 242 H CYS 34 H CYS 34 5.124 28.117 -2.430 243 HA CYS 34 HA CYS 34 2.767 27.049 -1.296 244 HB2 CYS 34 HB2 CYS 34 3.212 26.685 -3.618 245 HB3 CYS 34 HB3 CYS 34 4.766 25.897 -3.270 246 H CYS 35 H CYS 35 2.338 25.656 0.280 247 HA CYS 35 HA CYS 35 4.248 24.809 2.135 248 HB2 CYS 35 HB2 CYS 35 1.593 23.513 1.412 249 HB3 CYS 35 HB3 CYS 35 2.529 23.147 2.877 250 H ARG 36 H ARG 36 5.593 23.114 2.401 251 HA ARG 36 HA ARG 36 6.125 21.486 0.023 252 HB2 ARG 36 HB2 ARG 36 7.455 21.992 2.657 253 HB3 ARG 36 HB3 ARG 36 7.829 20.472 1.820 254 HG2 ARG 36 HG2 ARG 36 9.488 21.914 1.076 255 HG3 ARG 36 HG3 ARG 36 8.285 21.975 -0.237 256 HD2 ARG 36 HD2 ARG 36 7.663 24.122 0.247 257 HD3 ARG 36 HD3 ARG 36 8.013 23.948 1.984 258 HE ARG 36 HE ARG 36 10.380 23.895 0.268 259 HH11 ARG 36 HH11 ARG 36 8.100 25.888 2.081 260 HH12 ARG 36 HH12 ARG 36 9.233 27.233 2.263 261 HH21 ARG 36 HH21 ARG 36 11.836 25.633 0.505 262 HH22 ARG 36 HH22 ARG 36 11.338 27.090 1.372 263 HA PRO 37 HA PRO 37 4.028 17.787 1.132 264 HB2 PRO 37 HB2 PRO 37 5.815 15.864 0.394 265 HB3 PRO 37 HB3 PRO 37 4.899 16.843 -0.781 266 HG2 PRO 37 HG2 PRO 37 7.729 17.175 0.191 267 HG3 PRO 37 HG3 PRO 37 7.080 17.309 -1.471 268 HD2 PRO 37 HD2 PRO 37 7.626 19.482 0.073 269 HD3 PRO 37 HD3 PRO 37 6.297 19.458 -1.129 270 H TYR 38 H TYR 38 3.833 16.164 2.678 271 HA TYR 38 HA TYR 38 5.151 16.601 5.138 272 HB2 TYR 38 HB2 TYR 38 2.949 15.301 4.546 273 HB3 TYR 38 HB3 TYR 38 4.027 13.894 4.421 274 HD1 TYR 38 HD2 TYR 38 5.576 13.473 6.477 275 HD2 TYR 38 HD1 TYR 38 2.068 15.876 6.612 276 HE1 TYR 38 HE2 TYR 38 5.473 13.172 8.915 277 HE2 TYR 38 HE1 TYR 38 1.954 15.582 9.052 278 HH TYR 38 HH TYR 38 4.381 13.616 10.788 279 H ASP 39 H ASP 39 6.030 14.636 2.381 280 HA ASP 39 HA ASP 39 8.561 13.952 3.789 281 HB2 ASP 39 HB2 ASP 39 6.901 12.008 3.852 282 HB3 ASP 39 HB3 ASP 39 7.073 11.928 2.084 283 H THR 40 H THR 40 9.805 15.333 2.623 284 HA THR 40 HA THR 40 9.544 15.880 -0.136 285 HB THR 40 HB THR 40 12.133 16.344 0.089 286 HG1 THR 40 HG1 THR 40 12.685 16.674 2.335 287 HG21 THR 40 HG21 THR 40 10.048 17.930 0.193 288 HG22 THR 40 HG22 THR 40 11.632 18.512 0.756 289 HG23 THR 40 HG23 THR 40 10.409 17.979 1.935 290 H THR 41 H THR 41 10.983 13.165 1.535 291 HA THR 41 HA THR 41 12.532 12.245 -0.748 292 HB THR 41 HB THR 41 12.930 10.230 0.539 293 HG1 THR 41 HG1 THR 41 11.802 9.929 2.562 294 HG21 THR 41 HG21 THR 41 13.851 12.609 1.247 295 HG22 THR 41 HG22 THR 41 14.160 11.170 2.249 296 HG23 THR 41 HG23 THR 41 12.868 12.307 2.701 297 H ALA 42 H ALA 42 9.224 12.175 0.098 298 HA ALA 42 HA ALA 42 8.769 10.116 -2.021 299 HB1 ALA 42 HB1 ALA 42 6.672 9.515 -0.650 300 HB2 ALA 42 HB2 ALA 42 8.249 8.917 -0.077 301 HB3 ALA 42 HB3 ALA 42 7.492 10.327 0.703 302 H ALA 43 H ALA 43 8.801 13.134 -1.922 303 HA ALA 43 HA ALA 43 6.593 13.575 -3.655 304 HB1 ALA 43 HB1 ALA 43 5.034 13.470 -1.935 305 HB2 ALA 43 HB2 ALA 43 6.120 14.250 -0.760 306 HB3 ALA 43 HB3 ALA 43 5.366 15.215 -2.055 307 H PHE 44 H PHE 44 6.206 15.995 -4.018 308 HA PHE 44 HA PHE 44 8.558 17.623 -3.244 309 HB2 PHE 44 HB2 PHE 44 8.891 18.328 -5.629 310 HB3 PHE 44 HB3 PHE 44 9.293 16.623 -5.323 311 HD1 PHE 44 HD2 PHE 44 7.678 14.852 -6.027 312 HD2 PHE 44 HD1 PHE 44 7.226 18.925 -7.177 313 HE1 PHE 44 HE2 PHE 44 6.161 14.167 -7.836 314 HE2 PHE 44 HE1 PHE 44 5.706 18.247 -8.989 315 HZ PHE 44 HZ PHE 44 5.169 15.866 -9.321 316 H HIS 45 H HIS 45 8.314 19.924 -4.088 317 HA HIS 45 HA HIS 45 5.411 20.651 -4.014 318 HB2 HIS 45 HB2 HIS 45 5.903 22.541 -2.661 319 HB3 HIS 45 HB3 HIS 45 6.800 21.190 -1.931 320 HD2 HIS 45 HD2 HIS 45 7.472 24.601 -3.665 321 HE1 HIS 45 HE1 HIS 45 11.206 22.939 -2.532 322 HE2 HIS 45 HE2 HIS 45 10.034 25.011 -3.434 323 H GLY 46 H GLY 46 5.026 22.941 -4.853 324 HA2 GLY 46 HA2 GLY 46 6.701 24.354 -6.538 325 HA3 GLY 46 HA3 GLY 46 6.130 23.018 -7.557 326 H CYS 47 H CYS 47 5.660 25.793 -8.025 327 HA CYS 47 HA CYS 47 2.729 25.969 -7.467 328 HB2 CYS 47 HB2 CYS 47 4.897 28.019 -7.834 329 HB3 CYS 47 HB3 CYS 47 3.237 28.437 -8.310 330 H GLY 48 H GLY 48 1.393 25.540 -9.081 331 HA2 GLY 48 HA2 GLY 48 1.773 26.591 -11.727 332 HA3 GLY 48 HA3 GLY 48 2.243 24.881 -11.691 333 H ARG 49 H ARG 49 0.525 24.505 -13.208 334 HA ARG 49 HA ARG 49 -2.107 24.315 -11.803 335 HB2 ARG 49 HB2 ARG 49 -1.686 24.968 -14.742 336 HB3 ARG 49 HB3 ARG 49 -3.246 24.810 -13.912 337 HG2 ARG 49 HG2 ARG 49 -3.046 26.836 -12.853 338 HG3 ARG 49 HG3 ARG 49 -1.266 26.801 -12.882 339 HD2 ARG 49 HD2 ARG 49 -1.765 26.872 -15.532 340 HD3 ARG 49 HD3 ARG 49 -3.203 27.732 -14.934 341 HE ARG 49 HE ARG 49 -1.168 28.964 -13.586 342 HH11 ARG 49 HH11 ARG 49 -1.740 28.191 -16.984 343 HH12 ARG 49 HH12 ARG 49 -0.839 29.590 -17.580 344 HH21 ARG 49 HH21 ARG 49 -0.008 30.767 -14.362 345 HH22 ARG 49 HH22 ARG 49 0.139 31.042 -16.101 346 H ILE 50 H ILE 50 -1.850 22.166 -11.263 347 HA ILE 50 HA ILE 50 -1.272 20.263 -13.463 348 HB ILE 50 HB ILE 50 -1.300 18.544 -11.641 349 HG12 ILE 50 HG12 ILE 50 -1.229 20.793 -9.638 350 HG13 ILE 50 HG13 ILE 50 -2.798 20.171 -10.192 351 HG21 ILE 50 HG21 ILE 50 0.868 19.038 -10.887 352 HG22 ILE 50 HG22 ILE 50 0.732 19.898 -12.438 353 HG23 ILE 50 HG23 ILE 50 0.574 20.794 -10.908 354 HD11 ILE 50 HD11 ILE 50 -2.076 17.895 -9.495 355 HD12 ILE 50 HD12 ILE 50 -0.600 18.621 -8.815 356 HD13 ILE 50 HD13 ILE 50 -2.192 19.063 -8.158 357 H TRP 51 H TRP 51 -3.844 21.870 -13.042 358 HA TRP 51 HA TRP 51 -5.623 19.547 -13.493 359 HB2 TRP 51 HB2 TRP 51 -6.080 21.680 -11.380 360 HB3 TRP 51 HB3 TRP 51 -7.382 20.654 -12.019 361 HD1 TRP 51 HD1 TRP 51 -5.054 20.784 -9.225 362 HE1 TRP 51 HE1 TRP 51 -4.773 18.472 -8.075 363 HE3 TRP 51 HE3 TRP 51 -7.144 17.873 -12.872 364 HZ2 TRP 51 HZ2 TRP 51 -5.385 15.782 -8.702 365 HZ3 TRP 51 HZ3 TRP 51 -7.257 15.441 -12.520 366 HH2 TRP 51 HH2 TRP 51 -6.395 14.419 -10.477 367 HA PRO 52 HA PRO 52 -7.330 22.085 -16.649 368 HB2 PRO 52 HB2 PRO 52 -9.927 21.250 -16.669 369 HB3 PRO 52 HB3 PRO 52 -8.579 20.253 -17.279 370 HG2 PRO 52 HG2 PRO 52 -9.991 20.144 -14.620 371 HG3 PRO 52 HG3 PRO 52 -9.477 18.801 -15.687 372 HD2 PRO 52 HD2 PRO 52 -8.064 19.555 -13.487 373 HD3 PRO 52 HD3 PRO 52 -7.284 18.892 -14.960 374 H LYS 53 H LYS 53 -8.677 22.144 -13.429 375 HA LYS 53 HA LYS 53 -10.514 24.338 -13.929 376 HB2 LYS 53 HB2 LYS 53 -9.572 22.762 -11.592 377 HB3 LYS 53 HB3 LYS 53 -10.092 24.422 -11.238 378 HG2 LYS 53 HG2 LYS 53 -12.027 23.167 -10.941 379 HG3 LYS 53 HG3 LYS 53 -12.209 23.824 -12.586 380 HD2 LYS 53 HD2 LYS 53 -10.818 21.221 -12.416 381 HD3 LYS 53 HD3 LYS 53 -12.530 21.201 -11.927 382 HE2 LYS 53 HE2 LYS 53 -12.767 22.647 -14.164 383 HE3 LYS 53 HE3 LYS 53 -11.295 21.739 -14.588 384 HZ1 LYS 53 HZ1 LYS 53 -13.606 20.276 -13.499 385 HZ2 LYS 53 HZ2 LYS 53 -12.413 19.756 -14.580 386 HZ3 LYS 53 HZ3 LYS 53 -13.652 20.780 -15.113 387 H ASP 54 H ASP 54 -7.223 24.016 -12.599 388 HA ASP 54 HA ASP 54 -7.020 26.884 -12.085 389 HB2 ASP 54 HB2 ASP 54 -4.745 24.878 -12.222 390 HB3 ASP 54 HB3 ASP 54 -4.796 26.419 -11.336 391 H LYS 55 H LYS 55 -6.265 24.667 -14.690 392 HA LYS 55 HA LYS 55 -4.435 26.408 -16.078 393 HB2 LYS 55 HB2 LYS 55 -4.433 24.045 -16.563 394 HB3 LYS 55 HB3 LYS 55 -6.152 24.081 -17.003 395 HG2 LYS 55 HG2 LYS 55 -4.639 25.962 -18.601 396 HG3 LYS 55 HG3 LYS 55 -3.950 24.323 -18.710 397 HD2 LYS 55 HD2 LYS 55 -5.793 23.466 -19.742 398 HD3 LYS 55 HD3 LYS 55 -6.913 24.557 -18.887 399 HE2 LYS 55 HE2 LYS 55 -6.925 25.179 -21.196 400 HE3 LYS 55 HE3 LYS 55 -6.029 26.435 -20.307 401 HZ1 LYS 55 HZ1 LYS 55 -4.224 24.445 -21.144 402 HZ2 LYS 55 HZ2 LYS 55 -4.292 26.070 -21.611 403 HZ3 LYS 55 HZ3 LYS 55 -5.156 24.903 -22.478 404 H ARG 56 H ARG 56 -7.933 25.728 -16.419 405 HA ARG 56 HA ARG 56 -8.397 27.419 -18.639 406 HB2 ARG 56 HB2 ARG 56 -10.744 27.412 -17.939 407 HB3 ARG 56 HB3 ARG 56 -10.036 25.793 -17.771 408 HG2 ARG 56 HG2 ARG 56 -9.988 25.926 -15.434 409 HG3 ARG 56 HG3 ARG 56 -10.180 27.696 -15.439 410 HD2 ARG 56 HD2 ARG 56 -12.353 26.137 -16.727 411 HD3 ARG 56 HD3 ARG 56 -12.198 25.953 -14.963 412 HE ARG 56 HE ARG 56 -12.087 28.686 -15.370 413 HH11 ARG 56 HH11 ARG 56 -14.325 26.095 -16.234 414 HH12 ARG 56 HH12 ARG 56 -15.747 27.144 -16.191 415 HH21 ARG 56 HH21 ARG 56 -13.925 30.034 -15.317 416 HH22 ARG 56 HH22 ARG 56 -15.521 29.365 -15.675 417 H GLU 57 H GLU 57 -7.805 28.158 -15.287 418 HA GLU 57 HA GLU 57 -8.778 30.935 -15.636 419 HB2 GLU 57 HB2 GLU 57 -7.895 29.250 -13.308 420 HB3 GLU 57 HB3 GLU 57 -7.823 31.017 -13.167 421 HG2 GLU 57 HG2 GLU 57 -10.279 30.965 -13.965 422 HG3 GLU 57 HG3 GLU 57 -10.220 29.239 -13.538 423 H LYS 58 H LYS 58 -5.887 29.076 -15.821 424 HA LYS 58 HA LYS 58 -3.702 29.662 -16.211 425 HB2 LYS 58 HB2 LYS 58 -4.900 32.364 -16.927 426 HB3 LYS 58 HB3 LYS 58 -3.257 31.824 -17.324 427 HG2 LYS 58 HG2 LYS 58 -5.443 30.040 -18.218 428 HG3 LYS 58 HG3 LYS 58 -5.368 31.637 -19.002 429 HD2 LYS 58 HD2 LYS 58 -3.822 30.745 -20.355 430 HD3 LYS 58 HD3 LYS 58 -2.720 30.810 -18.957 431 HE2 LYS 58 HE2 LYS 58 -2.992 28.562 -18.468 432 HE3 LYS 58 HE3 LYS 58 -4.572 28.469 -19.281 433 HZ1 LYS 58 HZ1 LYS 58 -2.204 29.059 -20.913 434 HZ2 LYS 58 HZ2 LYS 58 -3.608 28.208 -21.317 435 HZ3 LYS 58 HZ3 LYS 58 -2.416 27.472 -20.367 436 H VAL 59 H VAL 59 -3.880 29.472 -13.703 437 HA VAL 59 HA VAL 59 -2.408 31.818 -12.656 438 HB VAL 59 HB VAL 59 -4.713 32.310 -12.018 439 HG11 VAL 59 HG11 VAL 59 -5.033 30.043 -10.175 440 HG12 VAL 59 HG12 VAL 59 -6.203 30.798 -11.284 441 HG13 VAL 59 HG13 VAL 59 -5.051 29.585 -11.894 442 HG21 VAL 59 HG21 VAL 59 -2.523 31.953 -10.218 443 HG22 VAL 59 HG22 VAL 59 -3.845 33.143 -10.143 444 HG23 VAL 59 HG23 VAL 59 -4.029 31.557 -9.355 445 H ASP 60 H ASP 60 -0.667 31.174 -11.591 446 HA ASP 60 HA ASP 60 -0.108 28.403 -11.182 447 HB2 ASP 60 HB2 ASP 60 1.192 30.925 -10.093 448 HB3 ASP 60 HB3 ASP 60 1.840 29.293 -9.813 449 H ARG 61 H ARG 61 -0.922 27.071 -9.726 450 HA ARG 61 HA ARG 61 -1.662 28.228 -7.066 451 HB2 ARG 61 HB2 ARG 61 -2.925 25.870 -8.515 452 HB3 ARG 61 HB3 ARG 61 -3.391 26.479 -6.914 453 HG2 ARG 61 HG2 ARG 61 -3.423 28.546 -8.988 454 HG3 ARG 61 HG3 ARG 61 -4.531 27.190 -9.315 455 HD2 ARG 61 HD2 ARG 61 -4.458 28.375 -6.564 456 HD3 ARG 61 HD3 ARG 61 -5.282 29.271 -7.862 457 HE ARG 61 HE ARG 61 -6.158 26.800 -6.570 458 HH11 ARG 61 HH11 ARG 61 -6.372 28.868 -9.423 459 HH12 ARG 61 HH12 ARG 61 -7.957 28.249 -9.902 460 HH21 ARG 61 HH21 ARG 61 -8.202 26.006 -7.194 461 HH22 ARG 61 HH22 ARG 61 -8.988 26.635 -8.645 462 H CYS 62 H CYS 62 -1.186 27.058 -5.209 463 HA CYS 62 HA CYS 62 1.216 25.508 -5.330 464 HB2 CYS 62 HB2 CYS 62 0.702 26.775 -3.342 465 HB3 CYS 62 HB3 CYS 62 -0.836 25.913 -3.124 466 H TYR 63 H TYR 63 1.602 23.399 -5.537 467 HA TYR 63 HA TYR 63 -0.658 21.510 -5.128 468 HB2 TYR 63 HB2 TYR 63 -0.292 20.395 -7.225 469 HB3 TYR 63 HB3 TYR 63 -0.483 22.127 -7.573 470 HD1 TYR 63 HD2 TYR 63 1.912 19.330 -7.421 471 HD2 TYR 63 HD1 TYR 63 1.344 23.418 -8.454 472 HE1 TYR 63 HE2 TYR 63 4.057 19.318 -8.624 473 HE2 TYR 63 HE1 TYR 63 3.487 23.416 -9.661 474 HH TYR 63 HH TYR 63 5.596 20.546 -9.673 475 H ILE 64 H ILE 64 -0.003 19.285 -4.857 476 HA ILE 64 HA ILE 64 2.889 18.872 -4.361 477 HB ILE 64 HB ILE 64 0.760 18.400 -2.246 478 HG12 ILE 64 HG12 ILE 64 3.189 20.238 -2.277 479 HG13 ILE 64 HG13 ILE 64 1.498 20.756 -2.458 480 HG21 ILE 64 HG21 ILE 64 2.088 16.811 -1.431 481 HG22 ILE 64 HG22 ILE 64 3.279 17.096 -2.723 482 HG23 ILE 64 HG23 ILE 64 3.368 18.030 -1.210 483 HD11 ILE 64 HD11 ILE 64 2.990 20.457 -0.084 484 HD12 ILE 64 HD12 ILE 64 1.270 20.880 -0.260 485 HD13 ILE 64 HD13 ILE 64 1.755 19.177 -0.079 486 H CYS 65 H CYS 65 3.492 17.022 -5.241 487 HA CYS 65 HA CYS 65 1.460 14.830 -5.370 488 HB2 CYS 65 HB2 CYS 65 3.544 15.553 -7.468 489 HB3 CYS 65 HB3 CYS 65 2.444 14.161 -7.541 490 H ASN 66 H ASN 66 2.351 12.652 -5.496 491 HA ASN 66 HA ASN 66 4.494 12.339 -3.568 492 HB2 ASN 66 HB2 ASN 66 4.135 9.928 -3.895 493 HB3 ASN 66 HB3 ASN 66 2.586 10.773 -3.693 494 HD21 ASN 66 HD21 ASN 66 2.727 8.250 -4.773 495 HD22 ASN 66 HD22 ASN 66 2.298 8.344 -6.518 496 H ASN 67 H ASN 67 6.327 10.776 -3.989 497 HA ASN 67 HA ASN 67 8.033 11.868 -5.968 498 HB2 ASN 67 HB2 ASN 67 9.559 10.044 -5.425 499 HB3 ASN 67 HB3 ASN 67 8.792 10.639 -3.936 500 HD21 ASN 67 HD21 ASN 67 10.009 8.002 -4.900 501 HD22 ASN 67 HD22 ASN 67 8.765 6.790 -4.432 502 H GLU 68 H GLU 68 5.736 9.212 -6.085 503 HA GLU 68 HA GLU 68 6.767 8.155 -8.601 504 HB2 GLU 68 HB2 GLU 68 4.015 7.685 -7.414 505 HB3 GLU 68 HB3 GLU 68 4.920 6.640 -8.527 506 HG2 GLU 68 HG2 GLU 68 6.650 6.416 -6.668 507 HG3 GLU 68 HG3 GLU 68 5.434 7.157 -5.599 508 H LYS 69 H LYS 69 4.986 10.881 -7.746 509 HA LYS 69 HA LYS 69 3.719 12.380 -8.941 510 HB2 LYS 69 HB2 LYS 69 5.427 11.113 -11.084 511 HB3 LYS 69 HB3 LYS 69 4.210 12.331 -11.513 512 HG2 LYS 69 HG2 LYS 69 5.278 13.965 -10.080 513 HG3 LYS 69 HG3 LYS 69 6.442 12.745 -9.507 514 HD2 LYS 69 HD2 LYS 69 7.242 12.490 -11.859 515 HD3 LYS 69 HD3 LYS 69 6.164 13.828 -12.326 516 HE2 LYS 69 HE2 LYS 69 7.356 15.375 -10.945 517 HE3 LYS 69 HE3 LYS 69 8.294 14.065 -10.186 518 HZ1 LYS 69 HZ1 LYS 69 8.439 14.607 -13.098 519 HZ2 LYS 69 HZ2 LYS 69 9.517 13.727 -12.137 520 HZ3 LYS 69 HZ3 LYS 69 9.434 15.410 -11.990 521 H THR 70 H THR 70 2.659 9.642 -8.439 522 HA THR 70 HA THR 70 0.855 9.301 -10.774 523 HB THR 70 HB THR 70 0.192 7.192 -9.787 524 HG1 THR 70 HG1 THR 70 1.291 6.567 -7.745 525 HG21 THR 70 HG21 THR 70 2.837 7.827 -10.572 526 HG22 THR 70 HG22 THR 70 2.036 6.237 -10.611 527 HG23 THR 70 HG23 THR 70 2.973 6.727 -9.178 528 H LEU 71 H LEU 71 0.862 10.123 -7.331 529 HA LEU 71 HA LEU 71 -2.060 10.722 -7.573 530 HB2 LEU 71 HB2 LEU 71 -1.018 8.998 -5.839 531 HB3 LEU 71 HB3 LEU 71 -0.703 10.486 -4.918 532 HG LEU 71 HG LEU 71 -3.471 10.044 -5.950 533 HD11 LEU 71 HD11 LEU 71 -3.256 7.895 -5.109 534 HD12 LEU 71 HD12 LEU 71 -3.854 8.800 -3.698 535 HD13 LEU 71 HD13 LEU 71 -2.126 8.396 -3.828 536 HD21 LEU 71 HD21 LEU 71 -2.233 11.215 -3.444 537 HD22 LEU 71 HD22 LEU 71 -3.986 11.054 -3.714 538 HD23 LEU 71 HD23 LEU 71 -3.011 12.090 -4.785 539 H CYS 72 H CYS 72 -2.814 12.717 -7.075 540 HA CYS 72 HA CYS 72 -0.923 14.665 -5.881 541 HB2 CYS 72 HB2 CYS 72 -2.378 15.108 -8.518 542 HB3 CYS 72 HB3 CYS 72 -1.456 16.342 -7.631 543 H THR 73 H THR 73 -1.967 16.656 -5.170 544 HA THR 73 HA THR 73 -4.263 16.192 -3.644 545 HB THR 73 HB THR 73 -4.475 18.876 -4.015 546 HG1 THR 73 HG1 THR 73 -2.297 19.649 -4.358 547 HG21 THR 73 HG21 THR 73 -3.278 19.109 -2.015 548 HG22 THR 73 HG22 THR 73 -2.164 17.779 -2.414 549 HG23 THR 73 HG23 THR 73 -3.848 17.425 -1.959 550 H SER 74 H SER 74 -6.438 16.468 -3.862 551 HA SER 74 HA SER 74 -7.609 16.067 -6.384 552 HB2 SER 74 HB2 SER 74 -8.726 15.642 -4.197 553 HB3 SER 74 HB3 SER 74 -8.894 17.398 -3.964 554 HG SER 74 HG SER 74 -10.615 17.325 -5.164 555 H VAL 75 H VAL 75 -8.895 17.394 -7.747 556 HA VAL 75 HA VAL 75 -7.672 19.843 -8.463 557 HB VAL 75 HB VAL 75 -9.096 18.477 -9.974 558 HG11 VAL 75 HG11 VAL 75 -11.631 19.679 -9.198 559 HG12 VAL 75 HG12 VAL 75 -11.229 17.977 -9.532 560 HG13 VAL 75 HG13 VAL 75 -10.960 18.654 -7.908 561 HG21 VAL 75 HG21 VAL 75 -10.496 21.072 -10.063 562 HG22 VAL 75 HG22 VAL 75 -8.723 21.184 -9.961 563 HG23 VAL 75 HG23 VAL 75 -9.480 20.268 -11.286 564 H MET 76 H MET 76 -10.074 19.121 -6.058 565 HA MET 76 HA MET 76 -9.982 21.896 -5.140 566 HB2 MET 76 HB2 MET 76 -12.548 22.026 -5.107 567 HB3 MET 76 HB3 MET 76 -11.742 22.283 -6.668 568 HG2 MET 76 HG2 MET 76 -12.551 20.358 -7.568 569 HG3 MET 76 HG3 MET 76 -12.583 19.507 -6.005 570 HE1 MET 76 HE1 MET 76 -15.969 19.841 -4.674 571 HE2 MET 76 HE2 MET 76 -15.234 18.578 -5.692 572 HE3 MET 76 HE3 MET 76 -14.259 19.400 -4.448 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 4.273 0.003 0.928 2 H2 GLY 1 H2 GLY 1 4.725 0.617 -0.589 3 H3 GLY 1 H3 GLY 1 3.815 1.575 0.478 4 HA2 GLY 1 HA2 GLY 1 2.929 -0.933 -0.785 5 HA3 GLY 1 HA3 GLY 1 1.981 0.070 0.328 6 H THR 2 H THR 2 0.346 0.737 -0.951 7 HA THR 2 HA THR 2 1.018 1.861 -3.611 8 HB THR 2 HB THR 2 -1.632 2.162 -3.544 9 HG1 THR 2 HG1 THR 2 -2.540 0.406 -2.298 10 HG21 THR 2 HG21 THR 2 -0.194 -0.487 -3.915 11 HG22 THR 2 HG22 THR 2 -0.451 0.768 -5.149 12 HG23 THR 2 HG23 THR 2 -1.840 -0.127 -4.489 13 HA PRO 3 HA PRO 3 0.671 6.091 -2.470 14 HB2 PRO 3 HB2 PRO 3 -0.655 7.152 -4.603 15 HB3 PRO 3 HB3 PRO 3 1.040 6.609 -4.686 16 HG2 PRO 3 HG2 PRO 3 -1.468 5.192 -5.565 17 HG3 PRO 3 HG3 PRO 3 0.113 5.319 -6.396 18 HD2 PRO 3 HD2 PRO 3 -0.635 3.112 -4.990 19 HD3 PRO 3 HD3 PRO 3 1.068 3.655 -5.105 20 H SER 4 H SER 4 -0.640 7.531 -1.430 21 HA SER 4 HA SER 4 -3.567 7.229 -1.675 22 HB2 SER 4 HB2 SER 4 -2.115 6.879 0.980 23 HB3 SER 4 HB3 SER 4 -3.879 6.996 0.773 24 HG SER 4 HG SER 4 -3.142 4.809 0.914 25 H ALA 5 H ALA 5 -4.651 8.848 -0.054 26 HA ALA 5 HA ALA 5 -3.861 11.444 -0.829 27 HB1 ALA 5 HB1 ALA 5 -5.388 10.860 1.711 28 HB2 ALA 5 HB2 ALA 5 -5.542 12.252 0.611 29 HB3 ALA 5 HB3 ALA 5 -6.106 10.643 0.096 30 H ASP 6 H ASP 6 -2.721 9.411 1.756 31 HA ASP 6 HA ASP 6 -1.653 11.507 3.420 32 HB2 ASP 6 HB2 ASP 6 -2.089 9.004 3.974 33 HB3 ASP 6 HB3 ASP 6 -0.493 8.717 3.243 34 H GLN 7 H GLN 7 -0.598 9.962 0.486 35 HA GLN 7 HA GLN 7 2.204 10.679 0.793 36 HB2 GLN 7 HB2 GLN 7 0.495 9.664 -1.481 37 HB3 GLN 7 HB3 GLN 7 2.162 10.201 -1.766 38 HG2 GLN 7 HG2 GLN 7 1.679 8.249 0.436 39 HG3 GLN 7 HG3 GLN 7 1.559 7.674 -1.244 40 HE21 GLN 7 HE21 GLN 7 3.419 6.496 0.174 41 HE22 GLN 7 HE22 GLN 7 5.057 7.116 -0.235 42 H VAL 8 H VAL 8 -0.688 12.204 -0.461 43 HA VAL 8 HA VAL 8 0.919 14.360 -1.715 44 HB VAL 8 HB VAL 8 -1.282 15.253 -2.456 45 HG11 VAL 8 HG11 VAL 8 -1.874 13.012 -3.786 46 HG12 VAL 8 HG12 VAL 8 -0.424 13.983 -4.144 47 HG13 VAL 8 HG13 VAL 8 -0.293 12.524 -3.132 48 HG21 VAL 8 HG21 VAL 8 -2.633 14.407 -0.583 49 HG22 VAL 8 HG22 VAL 8 -3.304 13.912 -2.155 50 HG23 VAL 8 HG23 VAL 8 -2.396 12.743 -1.166 51 H ARG 9 H ARG 9 0.634 13.804 1.275 52 HA ARG 9 HA ARG 9 -0.913 16.025 2.314 53 HB2 ARG 9 HB2 ARG 9 1.094 14.091 3.477 54 HB3 ARG 9 HB3 ARG 9 0.516 15.474 4.425 55 HG2 ARG 9 HG2 ARG 9 -1.484 13.673 3.114 56 HG3 ARG 9 HG3 ARG 9 -0.653 13.129 4.592 57 HD2 ARG 9 HD2 ARG 9 -1.476 14.983 5.841 58 HD3 ARG 9 HD3 ARG 9 -2.047 15.806 4.369 59 HE ARG 9 HE ARG 9 -3.377 13.322 4.510 60 HH11 ARG 9 HH11 ARG 9 -3.136 16.333 6.338 61 HH12 ARG 9 HH12 ARG 9 -4.781 16.221 6.973 62 HH21 ARG 9 HH21 ARG 9 -5.498 13.183 5.333 63 HH22 ARG 9 HH22 ARG 9 -6.112 14.445 6.407 64 H TYR 10 H TYR 10 0.452 17.411 4.075 65 HA TYR 10 HA TYR 10 2.907 18.446 2.777 66 HB2 TYR 10 HB2 TYR 10 2.140 20.718 2.684 67 HB3 TYR 10 HB3 TYR 10 0.918 19.720 1.866 68 HD1 TYR 10 HD1 TYR 10 1.667 21.672 4.907 69 HD2 TYR 10 HD2 TYR 10 -1.300 19.511 2.757 70 HE1 TYR 10 HE1 TYR 10 -0.070 22.606 6.376 71 HE2 TYR 10 HE2 TYR 10 -3.046 20.441 4.217 72 HH TYR 10 HH TYR 10 -2.216 22.573 6.955 73 H ASN 11 H ASN 11 4.116 19.940 4.145 74 HA ASN 11 HA ASN 11 3.472 19.509 7.036 75 HB2 ASN 11 HB2 ASN 11 5.391 18.178 6.594 76 HB3 ASN 11 HB3 ASN 11 6.129 19.436 5.577 77 HD21 ASN 11 HD21 ASN 11 7.911 20.091 6.522 78 HD22 ASN 11 HD22 ASN 11 8.059 20.535 8.260 79 H TYR 12 H TYR 12 3.748 21.198 8.453 80 HA TYR 12 HA TYR 12 3.675 23.844 7.224 81 HB2 TYR 12 HB2 TYR 12 3.495 22.832 10.075 82 HB3 TYR 12 HB3 TYR 12 3.536 24.566 9.691 83 HD1 TYR 12 HD2 TYR 12 1.760 25.341 7.904 84 HD2 TYR 12 HD1 TYR 12 1.445 21.774 10.200 85 HE1 TYR 12 HE2 TYR 12 -0.667 25.315 7.517 86 HE2 TYR 12 HE1 TYR 12 -0.985 21.736 9.819 87 HH TYR 12 HH TYR 12 -2.621 24.380 8.097 88 H THR 13 H THR 13 5.486 24.759 6.531 89 HA THR 13 HA THR 13 7.886 24.551 8.310 90 HB THR 13 HB THR 13 9.309 24.761 6.380 91 HG1 THR 13 HG1 THR 13 8.360 24.932 4.253 92 HG21 THR 13 HG21 THR 13 9.120 22.594 5.819 93 HG22 THR 13 HG22 THR 13 7.508 22.838 5.102 94 HG23 THR 13 HG23 THR 13 7.671 22.570 6.853 95 H GLU 14 H GLU 14 9.451 26.418 7.987 96 HA GLU 14 HA GLU 14 7.851 28.909 8.171 97 HB2 GLU 14 HB2 GLU 14 10.098 27.867 9.567 98 HB3 GLU 14 HB3 GLU 14 10.667 29.295 8.681 99 HG2 GLU 14 HG2 GLU 14 8.760 30.578 9.673 100 HG3 GLU 14 HG3 GLU 14 8.398 29.154 10.676 101 H LEU 15 H LEU 15 8.337 30.794 7.026 102 HA LEU 15 HA LEU 15 9.968 30.298 4.565 103 HB2 LEU 15 HB2 LEU 15 7.400 31.781 5.043 104 HB3 LEU 15 HB3 LEU 15 8.471 32.271 3.708 105 HG LEU 15 HG LEU 15 7.553 29.414 3.963 106 HD11 LEU 15 HD11 LEU 15 6.017 31.725 2.750 107 HD12 LEU 15 HD12 LEU 15 5.499 30.655 4.074 108 HD13 LEU 15 HD13 LEU 15 5.680 30.008 2.426 109 HD21 LEU 15 HD21 LEU 15 9.261 29.720 2.356 110 HD22 LEU 15 HD22 LEU 15 8.524 31.218 1.741 111 HD23 LEU 15 HD23 LEU 15 7.739 29.648 1.436 112 HA PRO 16 HA PRO 16 12.584 33.688 5.553 113 HB2 PRO 16 HB2 PRO 16 13.023 34.793 3.099 114 HB3 PRO 16 HB3 PRO 16 13.724 33.234 3.602 115 HG2 PRO 16 HG2 PRO 16 11.296 33.782 1.906 116 HG3 PRO 16 HG3 PRO 16 12.593 32.570 1.670 117 HD2 PRO 16 HD2 PRO 16 10.164 31.939 2.720 118 HD3 PRO 16 HD3 PRO 16 11.673 31.102 3.201 119 H ASN 17 H ASN 17 9.445 34.151 4.329 120 HA ASN 17 HA ASN 17 9.656 37.110 4.445 121 HB2 ASN 17 HB2 ASN 17 7.077 36.751 3.861 122 HB3 ASN 17 HB3 ASN 17 8.340 36.627 2.615 123 HD21 ASN 17 HD21 ASN 17 6.028 34.929 4.593 124 HD22 ASN 17 HD22 ASN 17 6.146 33.359 3.728 125 H GLY 18 H GLY 18 9.254 34.635 6.583 126 HA2 GLY 18 HA2 GLY 18 8.841 35.139 8.913 127 HA3 GLY 18 HA3 GLY 18 7.741 36.439 8.418 128 H GLU 19 H GLU 19 6.514 34.629 6.348 129 HA GLU 19 HA GLU 19 4.495 33.517 8.147 130 HB2 GLU 19 HB2 GLU 19 4.676 33.245 5.129 131 HB3 GLU 19 HB3 GLU 19 3.238 33.039 6.144 132 HG2 GLU 19 HG2 GLU 19 4.753 35.637 5.814 133 HG3 GLU 19 HG3 GLU 19 3.297 35.184 4.898 134 H TYR 20 H TYR 20 3.557 31.268 7.167 135 HA TYR 20 HA TYR 20 5.801 29.378 7.628 136 HB2 TYR 20 HB2 TYR 20 2.869 29.371 8.107 137 HB3 TYR 20 HB3 TYR 20 3.557 27.821 7.578 138 HD1 TYR 20 HD2 TYR 20 3.559 30.366 10.236 139 HD2 TYR 20 HD1 TYR 20 5.047 26.575 9.006 140 HE1 TYR 20 HE2 TYR 20 4.319 29.927 12.533 141 HE2 TYR 20 HE1 TYR 20 5.810 26.123 11.300 142 HH TYR 20 HH TYR 20 5.538 28.585 13.852 143 H CYS 21 H CYS 21 2.797 29.245 5.665 144 HA CYS 21 HA CYS 21 4.138 28.999 3.161 145 HB2 CYS 21 HB2 CYS 21 4.012 26.648 2.700 146 HB3 CYS 21 HB3 CYS 21 4.875 26.830 4.240 147 H TYR 22 H TYR 22 2.707 28.730 1.407 148 HA TYR 22 HA TYR 22 -0.050 29.443 2.108 149 HB2 TYR 22 HB2 TYR 22 1.550 29.289 -0.444 150 HB3 TYR 22 HB3 TYR 22 -0.222 29.402 -0.510 151 HD1 TYR 22 HD2 TYR 22 -0.866 31.242 1.640 152 HD2 TYR 22 HD1 TYR 22 2.389 31.344 -1.098 153 HE1 TYR 22 HE2 TYR 22 -0.725 33.683 1.909 154 HE2 TYR 22 HE1 TYR 22 2.541 33.785 -0.835 155 HH TYR 22 HH TYR 22 0.311 35.549 1.328 156 H THR 23 H THR 23 -1.650 28.059 2.376 157 HA THR 23 HA THR 23 -1.440 25.290 2.216 158 HB THR 23 HB THR 23 -4.096 25.614 1.649 159 HG1 THR 23 HG1 THR 23 -4.707 27.596 2.724 160 HG21 THR 23 HG21 THR 23 -3.670 24.500 3.611 161 HG22 THR 23 HG22 THR 23 -4.198 26.067 4.273 162 HG23 THR 23 HG23 THR 23 -2.461 25.691 4.153 163 HA PRO 24 HA PRO 24 -1.704 23.999 -1.976 164 HB2 PRO 24 HB2 PRO 24 -3.404 21.871 -1.844 165 HB3 PRO 24 HB3 PRO 24 -1.739 21.825 -1.206 166 HG2 PRO 24 HG2 PRO 24 -4.336 22.253 0.257 167 HG3 PRO 24 HG3 PRO 24 -2.928 21.246 0.716 168 HD2 PRO 24 HD2 PRO 24 -3.379 23.713 1.772 169 HD3 PRO 24 HD3 PRO 24 -1.733 23.058 1.512 170 H ARG 25 H ARG 25 -3.016 23.850 -3.870 171 HA ARG 25 HA ARG 25 -4.715 24.554 -5.242 172 HB2 ARG 25 HB2 ARG 25 -6.168 23.681 -2.776 173 HB3 ARG 25 HB3 ARG 25 -7.078 24.619 -3.977 174 HG2 ARG 25 HG2 ARG 25 -7.476 22.412 -4.588 175 HG3 ARG 25 HG3 ARG 25 -6.172 22.918 -5.691 176 HD2 ARG 25 HD2 ARG 25 -5.703 20.704 -4.808 177 HD3 ARG 25 HD3 ARG 25 -4.519 21.874 -4.178 178 HE ARG 25 HE ARG 25 -5.252 21.424 -2.044 179 HH11 ARG 25 HH11 ARG 25 -7.703 20.422 -4.380 180 HH12 ARG 25 HH12 ARG 25 -8.737 19.675 -3.157 181 HH21 ARG 25 HH21 ARG 25 -6.592 20.461 -0.472 182 HH22 ARG 25 HH22 ARG 25 -8.112 19.698 -0.953 183 H ARG 26 H ARG 26 -3.242 26.429 -3.357 184 HA ARG 26 HA ARG 26 -5.236 28.658 -3.420 185 HB2 ARG 26 HB2 ARG 26 -3.698 27.747 -1.297 186 HB3 ARG 26 HB3 ARG 26 -2.765 29.131 -1.899 187 HG2 ARG 26 HG2 ARG 26 -5.609 29.728 -1.714 188 HG3 ARG 26 HG3 ARG 26 -4.921 29.211 -0.156 189 HD2 ARG 26 HD2 ARG 26 -4.346 31.390 0.018 190 HD3 ARG 26 HD3 ARG 26 -2.979 30.898 -1.012 191 HE ARG 26 HE ARG 26 -3.847 32.154 -2.740 192 HH11 ARG 26 HH11 ARG 26 -6.322 31.606 -0.284 193 HH12 ARG 26 HH12 ARG 26 -7.488 32.699 -1.040 194 HH21 ARG 26 HH21 ARG 26 -5.356 33.562 -3.711 195 HH22 ARG 26 HH22 ARG 26 -6.942 33.801 -2.972 196 H ARG 27 H ARG 27 -4.723 30.602 -4.365 197 HA ARG 27 HA ARG 27 -2.882 30.502 -6.550 198 HB2 ARG 27 HB2 ARG 27 -4.867 31.943 -6.551 199 HB3 ARG 27 HB3 ARG 27 -4.203 32.887 -5.203 200 HG2 ARG 27 HG2 ARG 27 -2.451 33.758 -6.569 201 HG3 ARG 27 HG3 ARG 27 -2.849 32.636 -7.896 202 HD2 ARG 27 HD2 ARG 27 -3.822 34.630 -8.596 203 HD3 ARG 27 HD3 ARG 27 -5.183 33.773 -7.834 204 HE ARG 27 HE ARG 27 -3.915 35.381 -5.865 205 HH11 ARG 27 HH11 ARG 27 -5.812 35.681 -8.827 206 HH12 ARG 27 HH12 ARG 27 -6.531 37.226 -8.354 207 HH21 ARG 27 HH21 ARG 27 -4.845 37.373 -5.263 208 HH22 ARG 27 HH22 ARG 27 -5.984 38.179 -6.346 209 H CYS 28 H CYS 28 -0.756 30.682 -6.576 210 HA CYS 28 HA CYS 28 0.520 32.402 -4.495 211 HB2 CYS 28 HB2 CYS 28 2.444 30.691 -4.566 212 HB3 CYS 28 HB3 CYS 28 0.972 30.226 -3.684 213 H THR 29 H THR 29 2.999 32.610 -5.124 214 HA THR 29 HA THR 29 3.050 33.248 -8.049 215 HB THR 29 HB THR 29 4.352 35.208 -7.622 216 HG1 THR 29 HG1 THR 29 4.550 34.111 -4.998 217 HG21 THR 29 HG21 THR 29 2.500 35.613 -5.354 218 HG22 THR 29 HG22 THR 29 1.746 34.980 -6.837 219 HG23 THR 29 HG23 THR 29 2.656 36.508 -6.884 220 H SER 30 H SER 30 4.827 32.136 -5.198 221 HA SER 30 HA SER 30 6.923 31.095 -7.062 222 HB2 SER 30 HB2 SER 30 7.412 31.980 -4.193 223 HB3 SER 30 HB3 SER 30 8.626 31.515 -5.409 224 HG SER 30 HG SER 30 8.430 33.808 -5.174 225 H ALA 31 H ALA 31 7.775 29.060 -6.637 226 HA ALA 31 HA ALA 31 5.952 27.204 -5.438 227 HB1 ALA 31 HB1 ALA 31 8.854 26.889 -6.254 228 HB2 ALA 31 HB2 ALA 31 7.776 25.550 -5.794 229 HB3 ALA 31 HB3 ALA 31 7.414 26.527 -7.237 230 H ASP 32 H ASP 32 8.870 28.832 -4.274 231 HA ASP 32 HA ASP 32 9.407 27.275 -1.997 232 HB2 ASP 32 HB2 ASP 32 10.617 29.380 -3.004 233 HB3 ASP 32 HB3 ASP 32 9.583 30.285 -1.876 234 H GLN 33 H GLN 33 6.962 29.786 -2.516 235 HA GLN 33 HA GLN 33 6.179 29.960 0.255 236 HB2 GLN 33 HB2 GLN 33 4.460 30.578 -2.169 237 HB3 GLN 33 HB3 GLN 33 4.312 31.251 -0.533 238 HG2 GLN 33 HG2 GLN 33 6.372 32.469 -0.783 239 HG3 GLN 33 HG3 GLN 33 6.690 31.688 -2.351 240 HE21 GLN 33 HE21 GLN 33 5.069 34.210 -0.659 241 HE22 GLN 33 HE22 GLN 33 4.298 34.974 -2.093 242 H CYS 34 H CYS 34 5.117 28.020 -2.519 243 HA CYS 34 HA CYS 34 2.756 26.947 -1.405 244 HB2 CYS 34 HB2 CYS 34 3.279 26.584 -3.729 245 HB3 CYS 34 HB3 CYS 34 4.787 25.739 -3.316 246 H CYS 35 H CYS 35 2.326 25.619 0.219 247 HA CYS 35 HA CYS 35 4.231 24.775 2.078 248 HB2 CYS 35 HB2 CYS 35 1.529 23.566 1.382 249 HB3 CYS 35 HB3 CYS 35 2.478 23.108 2.813 250 H ARG 36 H ARG 36 5.617 23.128 2.310 251 HA ARG 36 HA ARG 36 6.090 21.431 -0.019 252 HB2 ARG 36 HB2 ARG 36 7.446 22.004 2.578 253 HB3 ARG 36 HB3 ARG 36 7.772 20.425 1.837 254 HG2 ARG 36 HG2 ARG 36 9.464 21.718 0.961 255 HG3 ARG 36 HG3 ARG 36 8.229 21.832 -0.316 256 HD2 ARG 36 HD2 ARG 36 7.757 24.024 0.142 257 HD3 ARG 36 HD3 ARG 36 8.164 23.867 1.868 258 HE ARG 36 HE ARG 36 10.453 23.621 0.061 259 HH11 ARG 36 HH11 ARG 36 8.380 25.795 1.920 260 HH12 ARG 36 HH12 ARG 36 9.604 27.065 2.026 261 HH21 ARG 36 HH21 ARG 36 12.025 25.266 0.203 262 HH22 ARG 36 HH22 ARG 36 11.658 26.768 1.058 263 HA PRO 37 HA PRO 37 3.960 17.770 1.153 264 HB2 PRO 37 HB2 PRO 37 5.727 15.817 0.447 265 HB3 PRO 37 HB3 PRO 37 4.822 16.786 -0.746 266 HG2 PRO 37 HG2 PRO 37 7.655 17.103 0.223 267 HG3 PRO 37 HG3 PRO 37 7.007 17.216 -1.442 268 HD2 PRO 37 HD2 PRO 37 7.575 19.409 0.066 269 HD3 PRO 37 HD3 PRO 37 6.247 19.378 -1.136 270 H TYR 38 H TYR 38 3.672 16.345 2.819 271 HA TYR 38 HA TYR 38 5.055 16.757 5.224 272 HB2 TYR 38 HB2 TYR 38 2.793 15.538 4.706 273 HB3 TYR 38 HB3 TYR 38 3.806 14.082 4.597 274 HD1 TYR 38 HD2 TYR 38 5.391 13.663 6.640 275 HD2 TYR 38 HD1 TYR 38 1.960 16.174 6.771 276 HE1 TYR 38 HE2 TYR 38 5.315 13.424 9.087 277 HE2 TYR 38 HE1 TYR 38 1.875 15.943 9.217 278 HH TYR 38 HH TYR 38 4.280 13.961 10.965 279 H ASP 39 H ASP 39 5.805 14.642 2.534 280 HA ASP 39 HA ASP 39 8.305 13.874 3.964 281 HB2 ASP 39 HB2 ASP 39 6.398 12.031 2.492 282 HB3 ASP 39 HB3 ASP 39 8.091 11.598 2.816 283 H THR 40 H THR 40 9.526 15.330 2.802 284 HA THR 40 HA THR 40 9.354 15.792 0.023 285 HB THR 40 HB THR 40 11.962 16.247 0.367 286 HG1 THR 40 HG1 THR 40 12.326 16.763 2.616 287 HG21 THR 40 HG21 THR 40 10.212 18.073 1.959 288 HG22 THR 40 HG22 THR 40 9.795 17.805 0.249 289 HG23 THR 40 HG23 THR 40 11.398 18.446 0.687 290 H THR 41 H THR 41 10.821 13.163 1.822 291 HA THR 41 HA THR 41 12.472 12.205 -0.350 292 HB THR 41 HB THR 41 12.945 11.603 1.985 293 HG1 THR 41 HG1 THR 41 12.575 9.744 -0.058 294 HG21 THR 41 HG21 THR 41 11.538 9.951 3.156 295 HG22 THR 41 HG22 THR 41 10.366 10.008 1.819 296 HG23 THR 41 HG23 THR 41 10.647 11.453 2.822 297 H ALA 42 H ALA 42 9.109 12.092 0.315 298 HA ALA 42 HA ALA 42 8.801 10.061 -1.856 299 HB1 ALA 42 HB1 ALA 42 7.996 9.792 0.870 300 HB2 ALA 42 HB2 ALA 42 6.533 9.922 -0.138 301 HB3 ALA 42 HB3 ALA 42 7.745 8.665 -0.485 302 H ALA 43 H ALA 43 8.769 13.065 -1.730 303 HA ALA 43 HA ALA 43 6.611 13.485 -3.532 304 HB1 ALA 43 HB1 ALA 43 5.006 13.342 -1.851 305 HB2 ALA 43 HB2 ALA 43 6.044 14.153 -0.652 306 HB3 ALA 43 HB3 ALA 43 5.306 15.093 -1.972 307 H PHE 44 H PHE 44 6.257 15.847 -4.003 308 HA PHE 44 HA PHE 44 8.563 17.511 -3.129 309 HB2 PHE 44 HB2 PHE 44 8.930 18.233 -5.495 310 HB3 PHE 44 HB3 PHE 44 9.313 16.520 -5.215 311 HD1 PHE 44 HD2 PHE 44 7.736 14.774 -6.004 312 HD2 PHE 44 HD1 PHE 44 7.242 18.878 -7.015 313 HE1 PHE 44 HE2 PHE 44 6.231 14.136 -7.841 314 HE2 PHE 44 HE1 PHE 44 5.736 18.246 -8.854 315 HZ PHE 44 HZ PHE 44 5.227 15.873 -9.270 316 H HIS 45 H HIS 45 8.315 19.817 -3.961 317 HA HIS 45 HA HIS 45 5.409 20.530 -3.847 318 HB2 HIS 45 HB2 HIS 45 5.955 22.478 -2.581 319 HB3 HIS 45 HB3 HIS 45 6.844 21.136 -1.828 320 HD2 HIS 45 HD2 HIS 45 7.522 24.511 -3.591 321 HE1 HIS 45 HE1 HIS 45 11.271 22.764 -2.654 322 HE2 HIS 45 HE2 HIS 45 10.102 24.868 -3.477 323 H GLY 46 H GLY 46 4.975 22.793 -4.735 324 HA2 GLY 46 HA2 GLY 46 6.635 24.106 -6.556 325 HA3 GLY 46 HA3 GLY 46 5.887 22.794 -7.489 326 H CYS 47 H CYS 47 5.656 25.834 -7.493 327 HA CYS 47 HA CYS 47 2.711 26.002 -7.028 328 HB2 CYS 47 HB2 CYS 47 4.006 27.676 -5.808 329 HB3 CYS 47 HB3 CYS 47 4.814 28.185 -7.307 330 H GLY 48 H GLY 48 1.417 25.896 -8.725 331 HA2 GLY 48 HA2 GLY 48 1.668 27.408 -11.072 332 HA3 GLY 48 HA3 GLY 48 2.484 25.869 -11.413 333 H ARG 49 H ARG 49 0.930 25.415 -13.033 334 HA ARG 49 HA ARG 49 -1.749 24.693 -11.912 335 HB2 ARG 49 HB2 ARG 49 -1.006 25.315 -14.794 336 HB3 ARG 49 HB3 ARG 49 -2.630 24.944 -14.185 337 HG2 ARG 49 HG2 ARG 49 -2.903 27.005 -13.235 338 HG3 ARG 49 HG3 ARG 49 -1.158 27.233 -12.961 339 HD2 ARG 49 HD2 ARG 49 -2.550 27.322 -15.656 340 HD3 ARG 49 HD3 ARG 49 -2.050 28.741 -14.705 341 HE ARG 49 HE ARG 49 0.120 26.870 -15.257 342 HH11 ARG 49 HH11 ARG 49 -1.754 29.619 -16.441 343 HH12 ARG 49 HH12 ARG 49 -0.466 30.191 -17.511 344 HH21 ARG 49 HH21 ARG 49 1.775 27.613 -16.638 345 HH22 ARG 49 HH22 ARG 49 1.521 29.060 -17.622 346 H ILE 50 H ILE 50 -2.110 22.605 -11.667 347 HA ILE 50 HA ILE 50 -0.584 20.728 -13.427 348 HB ILE 50 HB ILE 50 -1.049 19.030 -11.597 349 HG12 ILE 50 HG12 ILE 50 -1.407 21.363 -9.733 350 HG13 ILE 50 HG13 ILE 50 -2.825 20.734 -10.600 351 HG21 ILE 50 HG21 ILE 50 0.805 21.351 -11.468 352 HG22 ILE 50 HG22 ILE 50 0.668 20.349 -10.002 353 HG23 ILE 50 HG23 ILE 50 1.148 19.606 -11.547 354 HD11 ILE 50 HD11 ILE 50 -2.534 18.564 -9.616 355 HD12 ILE 50 HD12 ILE 50 -0.990 19.056 -8.878 356 HD13 ILE 50 HD13 ILE 50 -2.515 19.788 -8.326 357 H TRP 51 H TRP 51 -3.708 21.749 -12.270 358 HA TRP 51 HA TRP 51 -4.982 19.431 -13.646 359 HB2 TRP 51 HB2 TRP 51 -6.071 21.471 -11.672 360 HB3 TRP 51 HB3 TRP 51 -7.075 20.258 -12.499 361 HD1 TRP 51 HD1 TRP 51 -4.806 20.710 -9.539 362 HE1 TRP 51 HE1 TRP 51 -4.588 18.486 -8.217 363 HE3 TRP 51 HE3 TRP 51 -6.995 17.593 -12.951 364 HZ2 TRP 51 HZ2 TRP 51 -5.284 15.775 -8.635 365 HZ3 TRP 51 HZ3 TRP 51 -7.180 15.200 -12.414 366 HH2 TRP 51 HH2 TRP 51 -6.340 14.310 -10.301 367 HA PRO 52 HA PRO 52 -6.343 21.864 -17.047 368 HB2 PRO 52 HB2 PRO 52 -8.778 20.746 -17.561 369 HB3 PRO 52 HB3 PRO 52 -7.236 19.925 -17.917 370 HG2 PRO 52 HG2 PRO 52 -9.093 19.577 -15.572 371 HG3 PRO 52 HG3 PRO 52 -8.240 18.334 -16.537 372 HD2 PRO 52 HD2 PRO 52 -7.354 19.170 -14.104 373 HD3 PRO 52 HD3 PRO 52 -6.244 18.645 -15.410 374 H LYS 53 H LYS 53 -8.445 21.551 -14.230 375 HA LYS 53 HA LYS 53 -10.386 23.501 -14.977 376 HB2 LYS 53 HB2 LYS 53 -10.028 21.794 -12.855 377 HB3 LYS 53 HB3 LYS 53 -9.695 23.366 -12.103 378 HG2 LYS 53 HG2 LYS 53 -11.915 23.427 -11.791 379 HG3 LYS 53 HG3 LYS 53 -11.961 23.933 -13.496 380 HD2 LYS 53 HD2 LYS 53 -12.013 21.016 -12.719 381 HD3 LYS 53 HD3 LYS 53 -13.500 21.997 -12.741 382 HE2 LYS 53 HE2 LYS 53 -12.311 22.617 -15.158 383 HE3 LYS 53 HE3 LYS 53 -11.928 20.891 -14.957 384 HZ1 LYS 53 HZ1 LYS 53 -14.157 20.321 -14.925 385 HZ2 LYS 53 HZ2 LYS 53 -14.127 21.553 -16.085 386 HZ3 LYS 53 HZ3 LYS 53 -14.680 21.878 -14.519 387 H ASP 54 H ASP 54 -7.260 23.754 -13.294 388 HA ASP 54 HA ASP 54 -7.569 26.594 -12.770 389 HB2 ASP 54 HB2 ASP 54 -5.200 24.699 -12.678 390 HB3 ASP 54 HB3 ASP 54 -5.065 26.426 -12.289 391 H LYS 55 H LYS 55 -6.318 24.627 -15.389 392 HA LYS 55 HA LYS 55 -4.671 26.529 -16.675 393 HB2 LYS 55 HB2 LYS 55 -5.921 23.994 -17.311 394 HB3 LYS 55 HB3 LYS 55 -6.015 25.087 -18.706 395 HG2 LYS 55 HG2 LYS 55 -3.946 24.443 -19.202 396 HG3 LYS 55 HG3 LYS 55 -3.408 25.391 -17.793 397 HD2 LYS 55 HD2 LYS 55 -2.485 23.339 -17.300 398 HD3 LYS 55 HD3 LYS 55 -4.058 23.197 -16.478 399 HE2 LYS 55 HE2 LYS 55 -4.874 22.188 -18.728 400 HE3 LYS 55 HE3 LYS 55 -3.142 21.968 -19.073 401 HZ1 LYS 55 HZ1 LYS 55 -3.150 20.162 -17.811 402 HZ2 LYS 55 HZ2 LYS 55 -4.809 20.342 -17.531 403 HZ3 LYS 55 HZ3 LYS 55 -3.692 21.039 -16.469 404 H ARG 56 H ARG 56 -8.190 26.025 -16.823 405 HA ARG 56 HA ARG 56 -8.653 27.928 -18.921 406 HB2 ARG 56 HB2 ARG 56 -10.579 27.161 -16.701 407 HB3 ARG 56 HB3 ARG 56 -10.982 27.765 -18.321 408 HG2 ARG 56 HG2 ARG 56 -9.576 25.571 -19.001 409 HG3 ARG 56 HG3 ARG 56 -10.220 25.043 -17.424 410 HD2 ARG 56 HD2 ARG 56 -12.471 26.047 -18.412 411 HD3 ARG 56 HD3 ARG 56 -11.657 25.723 -19.962 412 HE ARG 56 HE ARG 56 -12.751 23.775 -18.088 413 HH11 ARG 56 HH11 ARG 56 -10.415 24.366 -20.667 414 HH12 ARG 56 HH12 ARG 56 -10.339 22.670 -21.155 415 HH21 ARG 56 HH21 ARG 56 -12.648 21.586 -18.721 416 HH22 ARG 56 HH22 ARG 56 -11.600 21.102 -20.058 417 H GLU 57 H GLU 57 -8.220 28.201 -15.447 418 HA GLU 57 HA GLU 57 -9.176 30.984 -15.420 419 HB2 GLU 57 HB2 GLU 57 -7.854 29.277 -13.278 420 HB3 GLU 57 HB3 GLU 57 -8.494 30.913 -13.024 421 HG2 GLU 57 HG2 GLU 57 -9.961 28.343 -13.507 422 HG3 GLU 57 HG3 GLU 57 -10.207 29.574 -12.247 423 H LYS 58 H LYS 58 -6.220 29.244 -15.872 424 HA LYS 58 HA LYS 58 -4.063 29.943 -16.231 425 HB2 LYS 58 HB2 LYS 58 -5.333 32.671 -16.678 426 HB3 LYS 58 HB3 LYS 58 -3.714 32.170 -17.201 427 HG2 LYS 58 HG2 LYS 58 -5.734 30.335 -18.175 428 HG3 LYS 58 HG3 LYS 58 -6.093 32.012 -18.654 429 HD2 LYS 58 HD2 LYS 58 -4.725 31.006 -20.362 430 HD3 LYS 58 HD3 LYS 58 -3.743 32.207 -19.488 431 HE2 LYS 58 HE2 LYS 58 -2.329 30.349 -19.706 432 HE3 LYS 58 HE3 LYS 58 -2.953 30.234 -18.044 433 HZ1 LYS 58 HZ1 LYS 58 -3.021 28.091 -19.132 434 HZ2 LYS 58 HZ2 LYS 58 -3.953 28.711 -20.400 435 HZ3 LYS 58 HZ3 LYS 58 -4.599 28.626 -18.838 436 H VAL 59 H VAL 59 -4.474 29.615 -13.657 437 HA VAL 59 HA VAL 59 -2.960 31.880 -12.462 438 HB VAL 59 HB VAL 59 -5.286 32.267 -11.814 439 HG11 VAL 59 HG11 VAL 59 -5.800 29.714 -12.025 440 HG12 VAL 59 HG12 VAL 59 -5.339 29.669 -10.304 441 HG13 VAL 59 HG13 VAL 59 -6.688 30.701 -10.839 442 HG21 VAL 59 HG21 VAL 59 -3.885 31.108 -9.403 443 HG22 VAL 59 HG22 VAL 59 -3.304 32.580 -10.214 444 HG23 VAL 59 HG23 VAL 59 -4.935 32.543 -9.503 445 H ASP 60 H ASP 60 -1.216 31.201 -11.422 446 HA ASP 60 HA ASP 60 -0.710 28.365 -11.136 447 HB2 ASP 60 HB2 ASP 60 0.779 30.858 -10.254 448 HB3 ASP 60 HB3 ASP 60 1.371 29.218 -9.903 449 H ARG 61 H ARG 61 -1.269 27.055 -9.545 450 HA ARG 61 HA ARG 61 -1.823 28.290 -6.876 451 HB2 ARG 61 HB2 ARG 61 -3.235 25.908 -8.134 452 HB3 ARG 61 HB3 ARG 61 -3.571 26.603 -6.536 453 HG2 ARG 61 HG2 ARG 61 -3.726 28.633 -8.596 454 HG3 ARG 61 HG3 ARG 61 -4.789 27.254 -8.968 455 HD2 ARG 61 HD2 ARG 61 -4.763 28.348 -6.179 456 HD3 ARG 61 HD3 ARG 61 -5.606 29.267 -7.450 457 HE ARG 61 HE ARG 61 -6.433 26.749 -6.232 458 HH11 ARG 61 HH11 ARG 61 -6.637 28.828 -9.080 459 HH12 ARG 61 HH12 ARG 61 -8.187 28.161 -9.604 460 HH21 ARG 61 HH21 ARG 61 -8.434 25.896 -6.916 461 HH22 ARG 61 HH22 ARG 61 -9.200 26.510 -8.384 462 H CYS 62 H CYS 62 -1.291 27.084 -5.029 463 HA CYS 62 HA CYS 62 1.112 25.556 -5.275 464 HB2 CYS 62 HB2 CYS 62 0.688 26.775 -3.247 465 HB3 CYS 62 HB3 CYS 62 -0.847 25.921 -2.983 466 H TYR 63 H TYR 63 1.521 23.446 -5.489 467 HA TYR 63 HA TYR 63 -0.726 21.537 -5.063 468 HB2 TYR 63 HB2 TYR 63 -0.254 20.394 -7.170 469 HB3 TYR 63 HB3 TYR 63 -0.664 22.095 -7.480 470 HD1 TYR 63 HD2 TYR 63 2.138 19.673 -7.306 471 HD2 TYR 63 HD1 TYR 63 0.887 23.549 -8.532 472 HE1 TYR 63 HE2 TYR 63 4.226 19.939 -8.576 473 HE2 TYR 63 HE1 TYR 63 2.971 23.826 -9.806 474 HH TYR 63 HH TYR 63 5.443 21.246 -9.881 475 H ILE 64 H ILE 64 -0.045 19.306 -4.841 476 HA ILE 64 HA ILE 64 2.850 18.919 -4.345 477 HB ILE 64 HB ILE 64 0.724 18.392 -2.241 478 HG12 ILE 64 HG12 ILE 64 3.141 20.244 -2.232 479 HG13 ILE 64 HG13 ILE 64 1.451 20.759 -2.420 480 HG21 ILE 64 HG21 ILE 64 2.624 17.613 -0.849 481 HG22 ILE 64 HG22 ILE 64 2.337 16.585 -2.272 482 HG23 ILE 64 HG23 ILE 64 3.688 17.744 -2.269 483 HD11 ILE 64 HD11 ILE 64 2.958 20.262 -0.024 484 HD12 ILE 64 HD12 ILE 64 1.334 20.965 -0.217 485 HD13 ILE 64 HD13 ILE 64 1.530 19.202 -0.079 486 H CYS 65 H CYS 65 3.475 17.093 -5.258 487 HA CYS 65 HA CYS 65 1.474 14.874 -5.415 488 HB2 CYS 65 HB2 CYS 65 3.524 15.678 -7.518 489 HB3 CYS 65 HB3 CYS 65 2.462 14.256 -7.605 490 H ASN 66 H ASN 66 2.299 12.737 -5.364 491 HA ASN 66 HA ASN 66 4.503 12.430 -3.542 492 HB2 ASN 66 HB2 ASN 66 4.170 10.006 -3.903 493 HB3 ASN 66 HB3 ASN 66 2.629 10.842 -3.621 494 HD21 ASN 66 HD21 ASN 66 2.515 8.404 -4.690 495 HD22 ASN 66 HD22 ASN 66 2.100 8.500 -6.438 496 H ASN 67 H ASN 67 6.397 11.011 -3.936 497 HA ASN 67 HA ASN 67 8.005 12.075 -6.015 498 HB2 ASN 67 HB2 ASN 67 8.233 9.941 -3.979 499 HB3 ASN 67 HB3 ASN 67 9.239 9.688 -5.422 500 HD21 ASN 67 HD21 ASN 67 11.071 9.933 -4.066 501 HD22 ASN 67 HD22 ASN 67 11.614 11.579 -3.587 502 H GLU 68 H GLU 68 5.765 9.402 -5.966 503 HA GLU 68 HA GLU 68 6.845 8.169 -8.388 504 HB2 GLU 68 HB2 GLU 68 4.095 7.719 -7.193 505 HB3 GLU 68 HB3 GLU 68 5.049 6.612 -8.198 506 HG2 GLU 68 HG2 GLU 68 6.764 6.767 -6.217 507 HG3 GLU 68 HG3 GLU 68 5.329 7.280 -5.295 508 H LYS 69 H LYS 69 5.004 10.910 -7.729 509 HA LYS 69 HA LYS 69 3.684 12.280 -9.021 510 HB2 LYS 69 HB2 LYS 69 5.427 10.941 -11.101 511 HB3 LYS 69 HB3 LYS 69 4.223 12.163 -11.553 512 HG2 LYS 69 HG2 LYS 69 5.333 13.721 -9.913 513 HG3 LYS 69 HG3 LYS 69 6.626 12.506 -9.751 514 HD2 LYS 69 HD2 LYS 69 6.845 12.624 -12.291 515 HD3 LYS 69 HD3 LYS 69 5.815 14.073 -12.208 516 HE2 LYS 69 HE2 LYS 69 8.158 14.717 -12.240 517 HE3 LYS 69 HE3 LYS 69 7.436 15.113 -10.661 518 HZ1 LYS 69 HZ1 LYS 69 9.720 13.652 -11.101 519 HZ2 LYS 69 HZ2 LYS 69 8.567 12.489 -10.681 520 HZ3 LYS 69 HZ3 LYS 69 8.878 13.786 -9.640 521 H THR 70 H THR 70 2.586 9.699 -8.287 522 HA THR 70 HA THR 70 0.869 9.112 -10.656 523 HB THR 70 HB THR 70 0.264 7.033 -9.565 524 HG1 THR 70 HG1 THR 70 1.529 6.598 -7.492 525 HG21 THR 70 HG21 THR 70 3.086 6.746 -8.940 526 HG22 THR 70 HG22 THR 70 2.852 7.684 -10.435 527 HG23 THR 70 HG23 THR 70 2.145 6.056 -10.283 528 H LEU 71 H LEU 71 0.879 10.329 -7.369 529 HA LEU 71 HA LEU 71 -2.066 10.791 -7.637 530 HB2 LEU 71 HB2 LEU 71 -1.207 9.072 -5.880 531 HB3 LEU 71 HB3 LEU 71 -0.686 10.512 -4.975 532 HG LEU 71 HG LEU 71 -3.251 11.189 -5.432 533 HD11 LEU 71 HD11 LEU 71 -4.405 9.487 -6.298 534 HD12 LEU 71 HD12 LEU 71 -4.222 8.694 -4.714 535 HD13 LEU 71 HD13 LEU 71 -3.073 8.339 -6.026 536 HD21 LEU 71 HD21 LEU 71 -2.947 9.293 -3.187 537 HD22 LEU 71 HD22 LEU 71 -3.450 11.000 -3.192 538 HD23 LEU 71 HD23 LEU 71 -1.721 10.581 -3.272 539 H CYS 72 H CYS 72 -2.861 12.776 -7.050 540 HA CYS 72 HA CYS 72 -0.972 14.749 -5.905 541 HB2 CYS 72 HB2 CYS 72 -2.403 15.155 -8.561 542 HB3 CYS 72 HB3 CYS 72 -1.499 16.405 -7.679 543 H THR 73 H THR 73 -2.018 16.727 -5.196 544 HA THR 73 HA THR 73 -4.340 16.269 -3.708 545 HB THR 73 HB THR 73 -4.534 18.949 -4.044 546 HG1 THR 73 HG1 THR 73 -2.360 19.730 -4.388 547 HG21 THR 73 HG21 THR 73 -2.232 17.789 -2.466 548 HG22 THR 73 HG22 THR 73 -3.928 17.516 -1.996 549 HG23 THR 73 HG23 THR 73 -3.279 19.172 -2.060 550 H SER 74 H SER 74 -6.516 16.723 -3.920 551 HA SER 74 HA SER 74 -7.693 16.242 -6.427 552 HB2 SER 74 HB2 SER 74 -8.798 16.059 -4.157 553 HB3 SER 74 HB3 SER 74 -8.973 17.829 -4.167 554 HG SER 74 HG SER 74 -10.858 16.740 -4.948 555 H VAL 75 H VAL 75 -8.802 17.530 -7.932 556 HA VAL 75 HA VAL 75 -7.465 19.879 -8.733 557 HB VAL 75 HB VAL 75 -8.892 18.512 -10.222 558 HG11 VAL 75 HG11 VAL 75 -10.740 18.380 -8.390 559 HG12 VAL 75 HG12 VAL 75 -11.317 19.904 -9.111 560 HG13 VAL 75 HG13 VAL 75 -11.211 18.431 -10.105 561 HG21 VAL 75 HG21 VAL 75 -9.334 20.253 -11.624 562 HG22 VAL 75 HG22 VAL 75 -10.157 21.205 -10.365 563 HG23 VAL 75 HG23 VAL 75 -8.378 21.135 -10.407 564 H MET 76 H MET 76 -10.033 19.411 -6.416 565 HA MET 76 HA MET 76 -9.853 22.265 -5.710 566 HB2 MET 76 HB2 MET 76 -12.369 22.477 -5.672 567 HB3 MET 76 HB3 MET 76 -11.645 22.404 -7.291 568 HG2 MET 76 HG2 MET 76 -12.185 19.937 -7.299 569 HG3 MET 76 HG3 MET 76 -13.124 20.223 -5.817 570 HE1 MET 76 HE1 MET 76 -15.988 20.973 -6.196 571 HE2 MET 76 HE2 MET 76 -14.717 22.059 -5.582 572 HE3 MET 76 HE3 MET 76 -15.847 22.628 -6.836 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 3.308 -2.110 -0.402 2 H2 GLY 1 H2 GLY 1 4.168 -0.984 -1.339 3 H3 GLY 1 H3 GLY 1 4.468 -1.107 0.328 4 HA2 GLY 1 HA2 GLY 1 1.853 -0.656 0.304 5 HA3 GLY 1 HA3 GLY 1 3.108 0.572 0.543 6 H THR 2 H THR 2 0.596 1.208 -0.462 7 HA THR 2 HA THR 2 1.273 1.820 -3.313 8 HB THR 2 HB THR 2 -1.380 2.129 -3.377 9 HG1 THR 2 HG1 THR 2 -2.340 0.429 -2.091 10 HG21 THR 2 HG21 THR 2 0.047 -0.548 -3.552 11 HG22 THR 2 HG22 THR 2 -0.102 0.658 -4.852 12 HG23 THR 2 HG23 THR 2 -1.550 -0.181 -4.247 13 HA PRO 3 HA PRO 3 0.886 6.110 -2.436 14 HB2 PRO 3 HB2 PRO 3 -0.336 7.045 -4.687 15 HB3 PRO 3 HB3 PRO 3 1.360 6.499 -4.657 16 HG2 PRO 3 HG2 PRO 3 -1.108 5.034 -5.571 17 HG3 PRO 3 HG3 PRO 3 0.511 5.112 -6.332 18 HD2 PRO 3 HD2 PRO 3 -0.310 2.990 -4.839 19 HD3 PRO 3 HD3 PRO 3 1.398 3.524 -4.904 20 H SER 4 H SER 4 -0.453 7.529 -1.445 21 HA SER 4 HA SER 4 -3.365 7.298 -1.870 22 HB2 SER 4 HB2 SER 4 -2.176 7.041 0.921 23 HB3 SER 4 HB3 SER 4 -3.896 6.966 0.473 24 HG SER 4 HG SER 4 -2.965 4.874 0.788 25 H ALA 5 H ALA 5 -4.509 8.950 -0.328 26 HA ALA 5 HA ALA 5 -3.617 11.521 -1.058 27 HB1 ALA 5 HB1 ALA 5 -5.917 10.676 -0.165 28 HB2 ALA 5 HB2 ALA 5 -5.253 11.106 1.429 29 HB3 ALA 5 HB3 ALA 5 -5.406 12.349 0.163 30 H ASP 6 H ASP 6 -2.689 9.482 1.614 31 HA ASP 6 HA ASP 6 -1.667 11.547 3.329 32 HB2 ASP 6 HB2 ASP 6 -2.134 8.975 3.742 33 HB3 ASP 6 HB3 ASP 6 -0.435 8.804 3.247 34 H GLN 7 H GLN 7 -0.424 9.909 0.494 35 HA GLN 7 HA GLN 7 2.345 10.624 0.938 36 HB2 GLN 7 HB2 GLN 7 0.740 9.633 -1.418 37 HB3 GLN 7 HB3 GLN 7 2.414 10.182 -1.641 38 HG2 GLN 7 HG2 GLN 7 1.648 8.092 0.397 39 HG3 GLN 7 HG3 GLN 7 2.046 7.694 -1.289 40 HE21 GLN 7 HE21 GLN 7 4.044 7.084 -1.611 41 HE22 GLN 7 HE22 GLN 7 5.470 7.624 -0.657 42 H VAL 8 H VAL 8 -0.445 12.192 -0.502 43 HA VAL 8 HA VAL 8 1.277 14.348 -1.598 44 HB VAL 8 HB VAL 8 -0.839 15.256 -2.533 45 HG11 VAL 8 HG11 VAL 8 -1.176 13.510 -4.207 46 HG12 VAL 8 HG12 VAL 8 0.553 13.685 -3.823 47 HG13 VAL 8 HG13 VAL 8 -0.377 12.321 -3.153 48 HG21 VAL 8 HG21 VAL 8 -2.368 14.431 -0.800 49 HG22 VAL 8 HG22 VAL 8 -2.893 13.919 -2.422 50 HG23 VAL 8 HG23 VAL 8 -2.086 12.758 -1.341 51 H ARG 9 H ARG 9 0.831 13.815 1.334 52 HA ARG 9 HA ARG 9 -0.843 16.002 2.269 53 HB2 ARG 9 HB2 ARG 9 1.036 14.020 3.535 54 HB3 ARG 9 HB3 ARG 9 0.523 15.443 4.463 55 HG2 ARG 9 HG2 ARG 9 -1.404 13.518 3.147 56 HG3 ARG 9 HG3 ARG 9 -0.840 13.366 4.828 57 HD2 ARG 9 HD2 ARG 9 -2.708 14.584 5.242 58 HD3 ARG 9 HD3 ARG 9 -1.617 15.938 4.864 59 HE ARG 9 HE ARG 9 -2.905 14.926 2.489 60 HH11 ARG 9 HH11 ARG 9 -3.396 16.905 5.371 61 HH12 ARG 9 HH12 ARG 9 -4.654 17.896 4.624 62 HH21 ARG 9 HH21 ARG 9 -4.528 16.208 1.531 63 HH22 ARG 9 HH22 ARG 9 -5.293 17.503 2.459 64 H TYR 10 H TYR 10 0.233 17.521 4.004 65 HA TYR 10 HA TYR 10 2.816 18.549 2.937 66 HB2 TYR 10 HB2 TYR 10 2.008 20.811 2.805 67 HB3 TYR 10 HB3 TYR 10 0.886 19.789 1.882 68 HD1 TYR 10 HD1 TYR 10 1.330 21.721 4.997 69 HD2 TYR 10 HD2 TYR 10 -1.394 19.531 2.572 70 HE1 TYR 10 HE1 TYR 10 -0.547 22.599 6.322 71 HE2 TYR 10 HE2 TYR 10 -3.278 20.403 3.888 72 HH TYR 10 HH TYR 10 -3.919 21.687 5.570 73 H ASN 11 H ASN 11 3.926 20.017 4.385 74 HA ASN 11 HA ASN 11 3.055 19.633 7.223 75 HB2 ASN 11 HB2 ASN 11 4.952 18.249 7.014 76 HB3 ASN 11 HB3 ASN 11 5.793 19.405 5.956 77 HD21 ASN 11 HD21 ASN 11 7.508 20.187 6.912 78 HD22 ASN 11 HD22 ASN 11 7.602 20.692 8.635 79 H TYR 12 H TYR 12 3.186 21.349 8.600 80 HA TYR 12 HA TYR 12 3.295 23.968 7.352 81 HB2 TYR 12 HB2 TYR 12 2.965 23.028 10.218 82 HB3 TYR 12 HB3 TYR 12 3.007 24.747 9.772 83 HD1 TYR 12 HD2 TYR 12 1.329 25.395 7.816 84 HD2 TYR 12 HD1 TYR 12 0.905 22.000 10.345 85 HE1 TYR 12 HE2 TYR 12 -1.077 25.331 7.315 86 HE2 TYR 12 HE1 TYR 12 -1.503 21.926 9.849 87 HH TYR 12 HH TYR 12 -2.933 23.073 7.453 88 H THR 13 H THR 13 5.074 25.046 6.886 89 HA THR 13 HA THR 13 7.379 24.787 8.775 90 HB THR 13 HB THR 13 8.948 24.869 6.951 91 HG1 THR 13 HG1 THR 13 8.166 24.930 4.751 92 HG21 THR 13 HG21 THR 13 7.671 22.677 7.543 93 HG22 THR 13 HG22 THR 13 8.665 22.727 6.066 94 HG23 THR 13 HG23 THR 13 6.897 22.899 5.957 95 H GLU 14 H GLU 14 8.994 26.614 8.473 96 HA GLU 14 HA GLU 14 7.423 29.132 8.382 97 HB2 GLU 14 HB2 GLU 14 9.516 28.144 10.029 98 HB3 GLU 14 HB3 GLU 14 10.193 29.506 9.116 99 HG2 GLU 14 HG2 GLU 14 8.212 30.867 9.852 100 HG3 GLU 14 HG3 GLU 14 7.769 29.514 10.919 101 H LEU 15 H LEU 15 7.836 30.816 7.026 102 HA LEU 15 HA LEU 15 9.744 30.203 4.811 103 HB2 LEU 15 HB2 LEU 15 7.147 31.705 4.965 104 HB3 LEU 15 HB3 LEU 15 8.327 32.105 3.697 105 HG LEU 15 HG LEU 15 7.351 29.278 4.085 106 HD11 LEU 15 HD11 LEU 15 5.289 30.291 3.780 107 HD12 LEU 15 HD12 LEU 15 5.789 29.946 2.107 108 HD13 LEU 15 HD13 LEU 15 5.957 31.590 2.764 109 HD21 LEU 15 HD21 LEU 15 8.263 30.738 1.596 110 HD22 LEU 15 HD22 LEU 15 8.050 28.986 1.829 111 HD23 LEU 15 HD23 LEU 15 9.367 29.841 2.669 112 HA PRO 16 HA PRO 16 12.269 33.671 5.770 113 HB2 PRO 16 HB2 PRO 16 12.906 34.608 3.289 114 HB3 PRO 16 HB3 PRO 16 13.566 33.090 3.953 115 HG2 PRO 16 HG2 PRO 16 11.283 33.509 2.032 116 HG3 PRO 16 HG3 PRO 16 12.593 32.292 1.986 117 HD2 PRO 16 HD2 PRO 16 10.088 31.717 2.877 118 HD3 PRO 16 HD3 PRO 16 11.554 30.925 3.534 119 H ASN 17 H ASN 17 9.325 34.071 3.998 120 HA ASN 17 HA ASN 17 9.494 37.001 3.945 121 HB2 ASN 17 HB2 ASN 17 7.241 36.895 2.984 122 HB3 ASN 17 HB3 ASN 17 8.317 35.746 2.160 123 HD21 ASN 17 HD21 ASN 17 5.734 35.363 1.790 124 HD22 ASN 17 HD22 ASN 17 5.140 33.966 2.751 125 H GLY 18 H GLY 18 8.903 34.723 6.309 126 HA2 GLY 18 HA2 GLY 18 8.457 35.519 8.564 127 HA3 GLY 18 HA3 GLY 18 7.389 36.764 7.887 128 H GLU 19 H GLU 19 6.243 34.703 5.991 129 HA GLU 19 HA GLU 19 4.159 33.803 7.852 130 HB2 GLU 19 HB2 GLU 19 4.344 33.199 4.887 131 HB3 GLU 19 HB3 GLU 19 2.895 33.232 5.910 132 HG2 GLU 19 HG2 GLU 19 4.546 35.557 4.924 133 HG3 GLU 19 HG3 GLU 19 2.833 35.196 4.604 134 H TYR 20 H TYR 20 3.225 31.478 6.945 135 HA TYR 20 HA TYR 20 5.432 29.620 7.661 136 HB2 TYR 20 HB2 TYR 20 2.485 29.660 8.022 137 HB3 TYR 20 HB3 TYR 20 3.185 28.071 7.646 138 HD1 TYR 20 HD2 TYR 20 3.191 30.864 10.067 139 HD2 TYR 20 HD1 TYR 20 4.510 26.902 9.255 140 HE1 TYR 20 HE2 TYR 20 3.856 30.608 12.421 141 HE2 TYR 20 HE1 TYR 20 5.177 26.635 11.607 142 HH TYR 20 HH TYR 20 4.787 29.305 13.948 143 H CYS 21 H CYS 21 2.509 29.369 5.591 144 HA CYS 21 HA CYS 21 3.956 28.904 3.177 145 HB2 CYS 21 HB2 CYS 21 3.805 26.535 2.892 146 HB3 CYS 21 HB3 CYS 21 4.562 26.804 4.477 147 H TYR 22 H TYR 22 2.603 28.521 1.380 148 HA TYR 22 HA TYR 22 -0.178 29.326 1.913 149 HB2 TYR 22 HB2 TYR 22 1.537 29.055 -0.559 150 HB3 TYR 22 HB3 TYR 22 -0.227 29.225 -0.699 151 HD1 TYR 22 HD2 TYR 22 -0.906 31.155 1.350 152 HD2 TYR 22 HD1 TYR 22 2.487 31.058 -1.217 153 HE1 TYR 22 HE2 TYR 22 -0.690 33.597 1.552 154 HE2 TYR 22 HE1 TYR 22 2.712 33.499 -1.020 155 HH TYR 22 HH TYR 22 0.321 35.434 0.764 156 H THR 23 H THR 23 -1.827 27.984 2.089 157 HA THR 23 HA THR 23 -1.630 25.201 2.054 158 HB THR 23 HB THR 23 -4.241 25.529 1.311 159 HG1 THR 23 HG1 THR 23 -4.896 27.553 2.279 160 HG21 THR 23 HG21 THR 23 -3.913 24.473 3.333 161 HG22 THR 23 HG22 THR 23 -4.525 26.047 3.895 162 HG23 THR 23 HG23 THR 23 -2.777 25.710 3.919 163 HA PRO 24 HA PRO 24 -1.630 23.774 -2.101 164 HB2 PRO 24 HB2 PRO 24 -3.324 21.640 -1.994 165 HB3 PRO 24 HB3 PRO 24 -1.698 21.628 -1.262 166 HG2 PRO 24 HG2 PRO 24 -4.379 22.088 0.034 167 HG3 PRO 24 HG3 PRO 24 -2.995 21.106 0.608 168 HD2 PRO 24 HD2 PRO 24 -3.517 23.606 1.551 169 HD3 PRO 24 HD3 PRO 24 -1.855 22.953 1.408 170 H ARG 25 H ARG 25 -2.731 23.786 -4.066 171 HA ARG 25 HA ARG 25 -4.366 24.398 -5.557 172 HB2 ARG 25 HB2 ARG 25 -6.407 24.122 -3.332 173 HB3 ARG 25 HB3 ARG 25 -6.656 23.939 -5.081 174 HG2 ARG 25 HG2 ARG 25 -5.344 21.891 -5.083 175 HG3 ARG 25 HG3 ARG 25 -4.999 22.089 -3.346 176 HD2 ARG 25 HD2 ARG 25 -7.792 21.850 -4.495 177 HD3 ARG 25 HD3 ARG 25 -6.845 20.464 -3.904 178 HE ARG 25 HE ARG 25 -6.969 22.537 -1.913 179 HH11 ARG 25 HH11 ARG 25 -8.860 19.983 -3.454 180 HH12 ARG 25 HH12 ARG 25 -9.895 19.733 -2.044 181 HH21 ARG 25 HH21 ARG 25 -8.310 22.208 -0.098 182 HH22 ARG 25 HH22 ARG 25 -9.585 20.987 -0.154 183 H ARG 26 H ARG 26 -3.059 26.302 -3.612 184 HA ARG 26 HA ARG 26 -5.106 28.480 -3.764 185 HB2 ARG 26 HB2 ARG 26 -3.701 27.611 -1.561 186 HB3 ARG 26 HB3 ARG 26 -2.690 28.956 -2.128 187 HG2 ARG 26 HG2 ARG 26 -5.549 29.593 -2.081 188 HG3 ARG 26 HG3 ARG 26 -4.887 29.161 -0.487 189 HD2 ARG 26 HD2 ARG 26 -3.405 30.938 -0.473 190 HD3 ARG 26 HD3 ARG 26 -3.384 31.072 -2.247 191 HE ARG 26 HE ARG 26 -5.215 32.482 -2.159 192 HH11 ARG 26 HH11 ARG 26 -4.775 30.845 0.937 193 HH12 ARG 26 HH12 ARG 26 -5.986 31.828 1.768 194 HH21 ARG 26 HH21 ARG 26 -6.776 33.748 -1.082 195 HH22 ARG 26 HH22 ARG 26 -7.115 33.465 0.629 196 H ARG 27 H ARG 27 -4.601 30.436 -4.684 197 HA ARG 27 HA ARG 27 -2.722 30.408 -6.815 198 HB2 ARG 27 HB2 ARG 27 -4.596 31.897 -6.916 199 HB3 ARG 27 HB3 ARG 27 -4.145 32.677 -5.387 200 HG2 ARG 27 HG2 ARG 27 -2.226 33.706 -6.402 201 HG3 ARG 27 HG3 ARG 27 -2.477 32.793 -7.910 202 HD2 ARG 27 HD2 ARG 27 -4.575 33.949 -8.304 203 HD3 ARG 27 HD3 ARG 27 -4.439 34.790 -6.740 204 HE ARG 27 HE ARG 27 -2.110 35.354 -8.257 205 HH11 ARG 27 HH11 ARG 27 -5.588 35.956 -8.293 206 HH12 ARG 27 HH12 ARG 27 -5.436 37.499 -9.141 207 HH21 ARG 27 HH21 ARG 27 -1.919 37.346 -9.351 208 HH22 ARG 27 HH22 ARG 27 -3.367 38.282 -9.738 209 H CYS 28 H CYS 28 -0.597 30.609 -6.859 210 HA CYS 28 HA CYS 28 0.701 32.215 -4.706 211 HB2 CYS 28 HB2 CYS 28 2.533 30.532 -4.607 212 HB3 CYS 28 HB3 CYS 28 0.972 29.877 -4.070 213 H THR 29 H THR 29 3.161 32.457 -5.303 214 HA THR 29 HA THR 29 3.279 33.090 -8.226 215 HB THR 29 HB THR 29 3.111 35.195 -7.125 216 HG1 THR 29 HG1 THR 29 5.238 36.073 -7.534 217 HG21 THR 29 HG21 THR 29 5.202 34.126 -5.203 218 HG22 THR 29 HG22 THR 29 3.518 34.576 -4.836 219 HG23 THR 29 HG23 THR 29 4.699 35.832 -5.280 220 H SER 30 H SER 30 4.975 32.031 -5.312 221 HA SER 30 HA SER 30 7.169 31.047 -7.093 222 HB2 SER 30 HB2 SER 30 7.745 31.682 -4.217 223 HB3 SER 30 HB3 SER 30 8.815 31.758 -5.637 224 HG SER 30 HG SER 30 8.239 33.851 -4.839 225 H ALA 31 H ALA 31 7.891 28.992 -6.785 226 HA ALA 31 HA ALA 31 6.124 27.137 -5.541 227 HB1 ALA 31 HB1 ALA 31 7.433 26.288 -7.282 228 HB2 ALA 31 HB2 ALA 31 8.942 26.943 -6.596 229 HB3 ALA 31 HB3 ALA 31 8.142 25.552 -5.824 230 H ASP 32 H ASP 32 9.081 28.730 -4.413 231 HA ASP 32 HA ASP 32 9.624 27.158 -2.149 232 HB2 ASP 32 HB2 ASP 32 10.918 29.172 -3.132 233 HB3 ASP 32 HB3 ASP 32 9.853 30.178 -2.126 234 H GLN 33 H GLN 33 7.137 29.595 -2.682 235 HA GLN 33 HA GLN 33 6.423 29.856 0.112 236 HB2 GLN 33 HB2 GLN 33 4.785 30.444 -2.383 237 HB3 GLN 33 HB3 GLN 33 4.418 31.004 -0.737 238 HG2 GLN 33 HG2 GLN 33 6.718 32.133 -0.800 239 HG3 GLN 33 HG3 GLN 33 6.676 31.831 -2.552 240 HE21 GLN 33 HE21 GLN 33 4.270 32.354 -3.399 241 HE22 GLN 33 HE22 GLN 33 3.764 34.030 -2.994 242 H CYS 34 H CYS 34 5.237 27.903 -2.619 243 HA CYS 34 HA CYS 34 2.935 26.822 -1.457 244 HB2 CYS 34 HB2 CYS 34 3.486 26.380 -3.766 245 HB3 CYS 34 HB3 CYS 34 4.978 25.534 -3.302 246 H CYS 35 H CYS 35 2.515 25.589 0.241 247 HA CYS 35 HA CYS 35 4.433 24.810 2.118 248 HB2 CYS 35 HB2 CYS 35 1.694 24.709 1.954 249 HB3 CYS 35 HB3 CYS 35 2.113 22.982 1.916 250 H ARG 36 H ARG 36 5.878 23.229 2.323 251 HA ARG 36 HA ARG 36 6.403 21.474 0.111 252 HB2 ARG 36 HB2 ARG 36 7.498 21.881 2.865 253 HB3 ARG 36 HB3 ARG 36 7.856 20.340 2.062 254 HG2 ARG 36 HG2 ARG 36 9.668 21.678 1.495 255 HG3 ARG 36 HG3 ARG 36 8.609 21.800 0.068 256 HD2 ARG 36 HD2 ARG 36 8.081 23.984 0.477 257 HD3 ARG 36 HD3 ARG 36 8.222 23.802 2.241 258 HE ARG 36 HE ARG 36 10.323 24.554 0.352 259 HH11 ARG 36 HH11 ARG 36 9.554 23.221 3.528 260 HH12 ARG 36 HH12 ARG 36 11.115 23.663 4.227 261 HH21 ARG 36 HH21 ARG 36 12.335 25.123 1.261 262 HH22 ARG 36 HH22 ARG 36 12.683 24.737 2.950 263 HA PRO 37 HA PRO 37 4.004 17.889 0.948 264 HB2 PRO 37 HB2 PRO 37 5.745 15.873 0.367 265 HB3 PRO 37 HB3 PRO 37 5.010 16.913 -0.882 266 HG2 PRO 37 HG2 PRO 37 7.743 17.073 0.380 267 HG3 PRO 37 HG3 PRO 37 7.274 17.257 -1.339 268 HD2 PRO 37 HD2 PRO 37 7.780 19.382 0.285 269 HD3 PRO 37 HD3 PRO 37 6.583 19.444 -1.045 270 H TYR 38 H TYR 38 3.542 16.301 2.461 271 HA TYR 38 HA TYR 38 4.672 16.627 5.035 272 HB2 TYR 38 HB2 TYR 38 2.461 15.719 4.812 273 HB3 TYR 38 HB3 TYR 38 3.050 14.365 3.821 274 HD1 TYR 38 HD1 TYR 38 4.099 15.799 7.125 275 HD2 TYR 38 HD2 TYR 38 2.809 12.377 4.955 276 HE1 TYR 38 HE1 TYR 38 4.344 14.430 9.153 277 HE2 TYR 38 HE2 TYR 38 3.048 10.997 6.977 278 HH TYR 38 HH TYR 38 3.446 10.980 9.165 279 H ASP 39 H ASP 39 5.529 14.498 2.373 280 HA ASP 39 HA ASP 39 7.826 13.537 4.024 281 HB2 ASP 39 HB2 ASP 39 6.361 11.836 1.978 282 HB3 ASP 39 HB3 ASP 39 7.639 11.322 3.101 283 H THR 40 H THR 40 9.199 15.065 3.109 284 HA THR 40 HA THR 40 9.415 15.629 0.345 285 HB THR 40 HB THR 40 11.749 16.376 0.872 286 HG1 THR 40 HG1 THR 40 12.377 16.244 3.120 287 HG21 THR 40 HG21 THR 40 9.553 17.680 1.364 288 HG22 THR 40 HG22 THR 40 11.075 18.254 2.088 289 HG23 THR 40 HG23 THR 40 9.917 17.327 3.071 290 H THR 41 H THR 41 10.519 12.901 2.219 291 HA THR 41 HA THR 41 12.481 12.018 0.256 292 HB THR 41 HB THR 41 12.714 11.378 2.609 293 HG1 THR 41 HG1 THR 41 12.364 9.405 0.603 294 HG21 THR 41 HG21 THR 41 10.713 9.288 2.716 295 HG22 THR 41 HG22 THR 41 9.947 10.871 2.449 296 HG23 THR 41 HG23 THR 41 11.015 10.625 3.852 297 H ALA 42 H ALA 42 9.157 12.149 0.210 298 HA ALA 42 HA ALA 42 9.083 10.110 -1.935 299 HB1 ALA 42 HB1 ALA 42 8.014 8.582 -0.725 300 HB2 ALA 42 HB2 ALA 42 7.983 9.666 0.688 301 HB3 ALA 42 HB3 ALA 42 6.671 9.732 -0.515 302 H ALA 43 H ALA 43 8.901 13.108 -1.555 303 HA ALA 43 HA ALA 43 6.845 13.551 -3.509 304 HB1 ALA 43 HB1 ALA 43 5.211 13.319 -1.836 305 HB2 ALA 43 HB2 ALA 43 6.181 14.211 -0.638 306 HB3 ALA 43 HB3 ALA 43 5.437 15.076 -2.006 307 H PHE 44 H PHE 44 6.569 15.870 -4.027 308 HA PHE 44 HA PHE 44 8.797 17.545 -2.976 309 HB2 PHE 44 HB2 PHE 44 9.284 18.302 -5.315 310 HB3 PHE 44 HB3 PHE 44 9.673 16.592 -5.025 311 HD1 PHE 44 HD2 PHE 44 8.125 14.833 -5.884 312 HD2 PHE 44 HD1 PHE 44 7.714 18.932 -6.948 313 HE1 PHE 44 HE2 PHE 44 6.733 14.191 -7.808 314 HE2 PHE 44 HE1 PHE 44 6.320 18.299 -8.874 315 HZ PHE 44 HZ PHE 44 5.830 15.924 -9.306 316 H HIS 45 H HIS 45 8.588 19.861 -3.782 317 HA HIS 45 HA HIS 45 5.679 20.567 -3.774 318 HB2 HIS 45 HB2 HIS 45 6.183 22.513 -2.512 319 HB3 HIS 45 HB3 HIS 45 7.110 21.204 -1.746 320 HD2 HIS 45 HD2 HIS 45 7.734 24.471 -3.803 321 HE1 HIS 45 HE1 HIS 45 11.464 23.022 -2.397 322 HE2 HIS 45 HE2 HIS 45 10.283 24.954 -3.561 323 H GLY 46 H GLY 46 5.256 22.817 -4.704 324 HA2 GLY 46 HA2 GLY 46 6.924 24.127 -6.505 325 HA3 GLY 46 HA3 GLY 46 6.243 22.780 -7.437 326 H CYS 47 H CYS 47 5.847 25.515 -8.042 327 HA CYS 47 HA CYS 47 2.953 25.823 -7.346 328 HB2 CYS 47 HB2 CYS 47 5.196 27.756 -7.633 329 HB3 CYS 47 HB3 CYS 47 3.642 28.265 -8.329 330 H GLY 48 H GLY 48 1.558 25.418 -8.915 331 HA2 GLY 48 HA2 GLY 48 1.889 26.439 -11.580 332 HA3 GLY 48 HA3 GLY 48 2.311 24.716 -11.545 333 H ARG 49 H ARG 49 0.542 24.359 -12.998 334 HA ARG 49 HA ARG 49 -2.049 24.255 -11.514 335 HB2 ARG 49 HB2 ARG 49 -1.707 24.897 -14.466 336 HB3 ARG 49 HB3 ARG 49 -3.244 24.778 -13.587 337 HG2 ARG 49 HG2 ARG 49 -2.941 26.790 -12.509 338 HG3 ARG 49 HG3 ARG 49 -1.168 26.724 -12.648 339 HD2 ARG 49 HD2 ARG 49 -2.891 26.950 -15.106 340 HD3 ARG 49 HD3 ARG 49 -2.521 28.390 -14.130 341 HE ARG 49 HE ARG 49 -0.168 26.816 -14.835 342 HH11 ARG 49 HH11 ARG 49 -2.417 29.340 -15.856 343 HH12 ARG 49 HH12 ARG 49 -1.262 30.091 -16.962 344 HH21 ARG 49 HH21 ARG 49 1.316 27.790 -16.264 345 HH22 ARG 49 HH22 ARG 49 0.843 29.218 -17.194 346 H ILE 50 H ILE 50 -1.939 22.112 -10.990 347 HA ILE 50 HA ILE 50 -1.400 20.177 -13.174 348 HB ILE 50 HB ILE 50 -1.524 18.466 -11.356 349 HG12 ILE 50 HG12 ILE 50 -1.452 20.721 -9.353 350 HG13 ILE 50 HG13 ILE 50 -3.017 20.115 -9.940 351 HG21 ILE 50 HG21 ILE 50 0.560 19.850 -12.088 352 HG22 ILE 50 HG22 ILE 50 0.402 20.606 -10.487 353 HG23 ILE 50 HG23 ILE 50 0.646 18.847 -10.621 354 HD11 ILE 50 HD11 ILE 50 -0.873 18.566 -8.480 355 HD12 ILE 50 HD12 ILE 50 -2.502 18.996 -7.901 356 HD13 ILE 50 HD13 ILE 50 -2.307 17.824 -9.228 357 H TRP 51 H TRP 51 -3.910 21.895 -12.807 358 HA TRP 51 HA TRP 51 -5.779 19.643 -13.274 359 HB2 TRP 51 HB2 TRP 51 -6.180 21.824 -11.200 360 HB3 TRP 51 HB3 TRP 51 -7.518 20.856 -11.858 361 HD1 TRP 51 HD1 TRP 51 -5.382 20.922 -8.956 362 HE1 TRP 51 HE1 TRP 51 -5.193 18.605 -7.796 363 HE3 TRP 51 HE3 TRP 51 -7.219 18.031 -12.753 364 HZ2 TRP 51 HZ2 TRP 51 -5.773 15.921 -8.472 365 HZ3 TRP 51 HZ3 TRP 51 -7.369 15.599 -12.416 366 HH2 TRP 51 HH2 TRP 51 -6.660 14.566 -10.320 367 HA PRO 52 HA PRO 52 -7.304 22.205 -16.504 368 HB2 PRO 52 HB2 PRO 52 -9.935 21.488 -16.566 369 HB3 PRO 52 HB3 PRO 52 -8.622 20.421 -17.132 370 HG2 PRO 52 HG2 PRO 52 -10.092 20.418 -14.503 371 HG3 PRO 52 HG3 PRO 52 -9.618 19.037 -15.538 372 HD2 PRO 52 HD2 PRO 52 -8.217 19.760 -13.321 373 HD3 PRO 52 HD3 PRO 52 -7.438 19.040 -14.766 374 H LYS 53 H LYS 53 -9.203 22.181 -13.486 375 HA LYS 53 HA LYS 53 -10.816 24.429 -13.962 376 HB2 LYS 53 HB2 LYS 53 -10.389 22.734 -11.851 377 HB3 LYS 53 HB3 LYS 53 -9.691 24.241 -11.226 378 HG2 LYS 53 HG2 LYS 53 -11.801 24.637 -10.556 379 HG3 LYS 53 HG3 LYS 53 -12.024 25.169 -12.241 380 HD2 LYS 53 HD2 LYS 53 -12.414 22.279 -11.502 381 HD3 LYS 53 HD3 LYS 53 -13.702 23.468 -11.183 382 HE2 LYS 53 HE2 LYS 53 -12.978 24.069 -13.766 383 HE3 LYS 53 HE3 LYS 53 -12.774 22.301 -13.720 384 HZ1 LYS 53 HZ1 LYS 53 -15.235 23.541 -12.653 385 HZ2 LYS 53 HZ2 LYS 53 -15.000 21.979 -13.259 386 HZ3 LYS 53 HZ3 LYS 53 -15.065 23.296 -14.318 387 H ASP 54 H ASP 54 -7.458 24.248 -12.792 388 HA ASP 54 HA ASP 54 -7.267 27.114 -12.361 389 HB2 ASP 54 HB2 ASP 54 -5.065 25.038 -12.684 390 HB3 ASP 54 HB3 ASP 54 -4.870 26.681 -12.032 391 H LYS 55 H LYS 55 -6.751 24.920 -15.043 392 HA LYS 55 HA LYS 55 -5.072 26.555 -16.643 393 HB2 LYS 55 HB2 LYS 55 -6.665 24.156 -16.953 394 HB3 LYS 55 HB3 LYS 55 -6.858 25.199 -18.377 395 HG2 LYS 55 HG2 LYS 55 -4.732 24.881 -19.068 396 HG3 LYS 55 HG3 LYS 55 -4.082 24.839 -17.410 397 HD2 LYS 55 HD2 LYS 55 -5.032 22.559 -17.137 398 HD3 LYS 55 HD3 LYS 55 -5.567 22.609 -18.835 399 HE2 LYS 55 HE2 LYS 55 -3.554 21.486 -19.012 400 HE3 LYS 55 HE3 LYS 55 -3.056 23.169 -19.317 401 HZ1 LYS 55 HZ1 LYS 55 -2.354 21.409 -17.148 402 HZ2 LYS 55 HZ2 LYS 55 -2.860 22.933 -16.619 403 HZ3 LYS 55 HZ3 LYS 55 -1.572 22.800 -17.709 404 H ARG 56 H ARG 56 -8.601 26.486 -16.230 405 HA ARG 56 HA ARG 56 -9.161 28.335 -18.358 406 HB2 ARG 56 HB2 ARG 56 -10.844 28.009 -15.861 407 HB3 ARG 56 HB3 ARG 56 -11.374 28.398 -17.511 408 HG2 ARG 56 HG2 ARG 56 -10.665 26.108 -18.212 409 HG3 ARG 56 HG3 ARG 56 -10.330 25.743 -16.501 410 HD2 ARG 56 HD2 ARG 56 -12.520 24.913 -17.045 411 HD3 ARG 56 HD3 ARG 56 -12.702 26.325 -15.977 412 HE ARG 56 HE ARG 56 -13.413 26.140 -18.845 413 HH11 ARG 56 HH11 ARG 56 -13.087 28.074 -15.910 414 HH12 ARG 56 HH12 ARG 56 -14.133 29.371 -16.500 415 HH21 ARG 56 HH21 ARG 56 -14.762 27.817 -19.603 416 HH22 ARG 56 HH22 ARG 56 -15.077 29.224 -18.583 417 H GLU 57 H GLU 57 -8.547 28.711 -14.870 418 HA GLU 57 HA GLU 57 -9.015 31.591 -14.962 419 HB2 GLU 57 HB2 GLU 57 -7.893 29.702 -12.875 420 HB3 GLU 57 HB3 GLU 57 -7.944 31.459 -12.629 421 HG2 GLU 57 HG2 GLU 57 -10.477 31.167 -13.264 422 HG3 GLU 57 HG3 GLU 57 -10.185 29.482 -12.776 423 H LYS 58 H LYS 58 -6.440 29.509 -15.781 424 HA LYS 58 HA LYS 58 -4.224 29.874 -16.283 425 HB2 LYS 58 HB2 LYS 58 -5.235 32.694 -16.815 426 HB3 LYS 58 HB3 LYS 58 -3.701 32.020 -17.397 427 HG2 LYS 58 HG2 LYS 58 -6.092 30.437 -18.089 428 HG3 LYS 58 HG3 LYS 58 -6.017 32.062 -18.817 429 HD2 LYS 58 HD2 LYS 58 -4.821 30.954 -20.401 430 HD3 LYS 58 HD3 LYS 58 -3.487 31.264 -19.264 431 HE2 LYS 58 HE2 LYS 58 -4.387 28.962 -18.228 432 HE3 LYS 58 HE3 LYS 58 -4.911 28.727 -19.913 433 HZ1 LYS 58 HZ1 LYS 58 -2.338 29.663 -20.098 434 HZ2 LYS 58 HZ2 LYS 58 -2.840 28.062 -20.304 435 HZ3 LYS 58 HZ3 LYS 58 -2.283 28.586 -18.795 436 H VAL 59 H VAL 59 -4.334 29.708 -13.696 437 HA VAL 59 HA VAL 59 -2.446 31.817 -12.802 438 HB VAL 59 HB VAL 59 -4.603 32.607 -11.977 439 HG11 VAL 59 HG11 VAL 59 -5.260 29.924 -11.794 440 HG12 VAL 59 HG12 VAL 59 -5.106 30.425 -10.093 441 HG13 VAL 59 HG13 VAL 59 -6.226 31.286 -11.177 442 HG21 VAL 59 HG21 VAL 59 -3.754 33.202 -9.981 443 HG22 VAL 59 HG22 VAL 59 -3.566 31.516 -9.445 444 HG23 VAL 59 HG23 VAL 59 -2.331 32.259 -10.487 445 H ASP 60 H ASP 60 -0.747 30.986 -11.787 446 HA ASP 60 HA ASP 60 -0.624 28.117 -11.347 447 HB2 ASP 60 HB2 ASP 60 1.369 30.222 -10.438 448 HB3 ASP 60 HB3 ASP 60 1.672 28.494 -10.721 449 H ARG 61 H ARG 61 -0.937 26.967 -9.552 450 HA ARG 61 HA ARG 61 -1.176 28.485 -6.987 451 HB2 ARG 61 HB2 ARG 61 -2.923 26.144 -7.827 452 HB3 ARG 61 HB3 ARG 61 -3.060 27.096 -6.335 453 HG2 ARG 61 HG2 ARG 61 -3.298 29.070 -8.155 454 HG3 ARG 61 HG3 ARG 61 -3.966 27.708 -9.089 455 HD2 ARG 61 HD2 ARG 61 -4.857 28.168 -6.255 456 HD3 ARG 61 HD3 ARG 61 -5.527 29.165 -7.568 457 HE ARG 61 HE ARG 61 -5.667 26.393 -8.275 458 HH11 ARG 61 HH11 ARG 61 -7.111 28.805 -6.142 459 HH12 ARG 61 HH12 ARG 61 -8.674 27.983 -6.070 460 HH21 ARG 61 HH21 ARG 61 -7.686 25.338 -8.181 461 HH22 ARG 61 HH22 ARG 61 -8.998 26.029 -7.219 462 H CYS 62 H CYS 62 -0.940 27.119 -5.042 463 HA CYS 62 HA CYS 62 1.451 25.562 -5.225 464 HB2 CYS 62 HB2 CYS 62 0.933 26.699 -3.169 465 HB3 CYS 62 HB3 CYS 62 -0.627 25.861 -3.029 466 H TYR 63 H TYR 63 1.840 23.458 -5.509 467 HA TYR 63 HA TYR 63 -0.440 21.564 -5.270 468 HB2 TYR 63 HB2 TYR 63 -0.087 20.595 -7.417 469 HB3 TYR 63 HB3 TYR 63 -0.147 22.351 -7.682 470 HD1 TYR 63 HD2 TYR 63 2.034 19.387 -7.617 471 HD2 TYR 63 HD1 TYR 63 1.808 23.560 -8.405 472 HE1 TYR 63 HE2 TYR 63 4.218 19.286 -8.746 473 HE2 TYR 63 HE1 TYR 63 3.989 23.471 -9.539 474 HH TYR 63 HH TYR 63 5.902 20.475 -9.622 475 H ILE 64 H ILE 64 0.116 19.451 -4.767 476 HA ILE 64 HA ILE 64 3.022 18.930 -4.357 477 HB ILE 64 HB ILE 64 0.849 18.448 -2.291 478 HG12 ILE 64 HG12 ILE 64 3.336 20.204 -2.189 479 HG13 ILE 64 HG13 ILE 64 1.683 20.796 -2.467 480 HG21 ILE 64 HG21 ILE 64 3.790 17.713 -2.271 481 HG22 ILE 64 HG22 ILE 64 2.691 17.588 -0.878 482 HG23 ILE 64 HG23 ILE 64 2.411 16.590 -2.324 483 HD11 ILE 64 HD11 ILE 64 1.565 19.243 -0.126 484 HD12 ILE 64 HD12 ILE 64 3.036 20.238 0.006 485 HD13 ILE 64 HD13 ILE 64 1.459 21.012 -0.276 486 H CYS 65 H CYS 65 3.633 17.057 -5.191 487 HA CYS 65 HA CYS 65 1.549 14.929 -5.471 488 HB2 CYS 65 HB2 CYS 65 3.721 15.727 -7.447 489 HB3 CYS 65 HB3 CYS 65 2.737 14.254 -7.584 490 H ASN 66 H ASN 66 2.493 12.724 -5.766 491 HA ASN 66 HA ASN 66 4.488 12.312 -3.670 492 HB2 ASN 66 HB2 ASN 66 4.094 9.917 -4.087 493 HB3 ASN 66 HB3 ASN 66 2.559 10.795 -3.915 494 HD21 ASN 66 HD21 ASN 66 2.668 8.306 -5.068 495 HD22 ASN 66 HD22 ASN 66 2.312 8.463 -6.824 496 H ASN 67 H ASN 67 6.308 10.728 -4.036 497 HA ASN 67 HA ASN 67 8.126 11.823 -5.913 498 HB2 ASN 67 HB2 ASN 67 9.603 9.998 -5.311 499 HB3 ASN 67 HB3 ASN 67 8.729 10.518 -3.854 500 HD21 ASN 67 HD21 ASN 67 6.960 9.249 -3.099 501 HD22 ASN 67 HD22 ASN 67 6.912 7.489 -3.470 502 H GLU 68 H GLU 68 5.805 9.191 -6.179 503 HA GLU 68 HA GLU 68 6.932 8.178 -8.671 504 HB2 GLU 68 HB2 GLU 68 4.213 7.713 -7.390 505 HB3 GLU 68 HB3 GLU 68 4.880 6.800 -8.755 506 HG2 GLU 68 HG2 GLU 68 6.537 6.926 -6.294 507 HG3 GLU 68 HG3 GLU 68 5.033 5.977 -6.211 508 H LYS 69 H LYS 69 5.137 10.901 -7.833 509 HA LYS 69 HA LYS 69 3.960 12.448 -9.055 510 HB2 LYS 69 HB2 LYS 69 5.628 11.135 -11.210 511 HB3 LYS 69 HB3 LYS 69 4.504 12.457 -11.590 512 HG2 LYS 69 HG2 LYS 69 5.693 13.850 -9.873 513 HG3 LYS 69 HG3 LYS 69 6.899 12.545 -9.744 514 HD2 LYS 69 HD2 LYS 69 7.162 12.766 -12.282 515 HD3 LYS 69 HD3 LYS 69 6.254 14.290 -12.127 516 HE2 LYS 69 HE2 LYS 69 7.977 14.931 -10.338 517 HE3 LYS 69 HE3 LYS 69 8.939 13.562 -10.948 518 HZ1 LYS 69 HZ1 LYS 69 7.951 15.385 -12.981 519 HZ2 LYS 69 HZ2 LYS 69 9.473 14.669 -12.812 520 HZ3 LYS 69 HZ3 LYS 69 9.086 16.053 -11.918 521 H THR 70 H THR 70 2.859 9.686 -8.627 522 HA THR 70 HA THR 70 1.076 9.426 -10.985 523 HB THR 70 HB THR 70 0.336 7.325 -10.010 524 HG1 THR 70 HG1 THR 70 1.272 6.633 -7.985 525 HG21 THR 70 HG21 THR 70 3.355 7.603 -9.790 526 HG22 THR 70 HG22 THR 70 2.445 7.321 -11.294 527 HG23 THR 70 HG23 THR 70 2.451 6.086 -10.011 528 H LEU 71 H LEU 71 1.021 10.153 -7.511 529 HA LEU 71 HA LEU 71 -1.878 10.831 -7.803 530 HB2 LEU 71 HB2 LEU 71 -1.055 9.047 -6.115 531 HB3 LEU 71 HB3 LEU 71 -0.451 10.433 -5.177 532 HG LEU 71 HG LEU 71 -2.976 11.247 -5.499 533 HD11 LEU 71 HD11 LEU 71 -4.036 9.598 -6.674 534 HD12 LEU 71 HD12 LEU 71 -4.290 8.993 -5.020 535 HD13 LEU 71 HD13 LEU 71 -2.992 8.308 -6.027 536 HD21 LEU 71 HD21 LEU 71 -2.747 9.168 -3.412 537 HD22 LEU 71 HD22 LEU 71 -3.133 10.901 -3.277 538 HD23 LEU 71 HD23 LEU 71 -1.438 10.376 -3.431 539 H CYS 72 H CYS 72 -2.653 12.793 -7.071 540 HA CYS 72 HA CYS 72 -0.698 14.714 -5.952 541 HB2 CYS 72 HB2 CYS 72 -2.244 15.203 -8.528 542 HB3 CYS 72 HB3 CYS 72 -1.326 16.440 -7.639 543 H THR 73 H THR 73 -1.798 16.835 -5.403 544 HA THR 73 HA THR 73 -3.984 16.314 -3.682 545 HB THR 73 HB THR 73 -4.266 18.963 -3.987 546 HG1 THR 73 HG1 THR 73 -2.183 19.835 -4.591 547 HG21 THR 73 HG21 THR 73 -1.872 17.640 -2.663 548 HG22 THR 73 HG22 THR 73 -3.496 17.815 -1.955 549 HG23 THR 73 HG23 THR 73 -2.510 19.259 -2.290 550 H SER 74 H SER 74 -6.154 17.253 -3.727 551 HA SER 74 HA SER 74 -7.487 16.554 -6.194 552 HB2 SER 74 HB2 SER 74 -8.477 16.260 -3.911 553 HB3 SER 74 HB3 SER 74 -8.613 18.030 -3.781 554 HG SER 74 HG SER 74 -10.569 17.036 -4.511 555 H VAL 75 H VAL 75 -9.324 18.152 -6.953 556 HA VAL 75 HA VAL 75 -7.871 20.612 -7.771 557 HB VAL 75 HB VAL 75 -8.854 19.142 -9.528 558 HG11 VAL 75 HG11 VAL 75 -11.603 20.063 -9.126 559 HG12 VAL 75 HG12 VAL 75 -10.982 18.440 -9.514 560 HG13 VAL 75 HG13 VAL 75 -11.028 18.995 -7.823 561 HG21 VAL 75 HG21 VAL 75 -8.470 21.495 -9.998 562 HG22 VAL 75 HG22 VAL 75 -9.971 20.960 -10.788 563 HG23 VAL 75 HG23 VAL 75 -10.047 21.924 -9.293 564 H MET 76 H MET 76 -10.520 19.504 -5.816 565 HA MET 76 HA MET 76 -10.950 22.248 -4.878 566 HB2 MET 76 HB2 MET 76 -12.969 20.770 -6.537 567 HB3 MET 76 HB3 MET 76 -13.547 21.769 -5.189 568 HG2 MET 76 HG2 MET 76 -12.257 23.685 -6.166 569 HG3 MET 76 HG3 MET 76 -11.926 22.658 -7.580 570 HE1 MET 76 HE1 MET 76 -15.208 22.222 -9.348 571 HE2 MET 76 HE2 MET 76 -13.626 21.525 -8.924 572 HE3 MET 76 HE3 MET 76 -15.058 21.151 -7.934 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 4.187 0.729 1.345 2 H2 GLY 1 H2 GLY 1 4.606 1.812 0.105 3 H3 GLY 1 H3 GLY 1 3.118 1.972 0.905 4 HA2 GLY 1 HA2 GLY 1 3.946 -0.297 -0.778 5 HA3 GLY 1 HA3 GLY 1 2.390 -0.127 0.057 6 H THR 2 H THR 2 0.759 0.930 -0.899 7 HA THR 2 HA THR 2 1.316 1.974 -3.619 8 HB THR 2 HB THR 2 -1.353 2.152 -3.476 9 HG1 THR 2 HG1 THR 2 -2.119 0.370 -2.174 10 HG21 THR 2 HG21 THR 2 -1.459 0.148 -4.681 11 HG22 THR 2 HG22 THR 2 -0.154 -0.604 -3.735 12 HG23 THR 2 HG23 THR 2 0.225 0.673 -4.915 13 HA PRO 3 HA PRO 3 0.781 6.226 -2.641 14 HB2 PRO 3 HB2 PRO 3 -0.644 7.131 -4.783 15 HB3 PRO 3 HB3 PRO 3 1.076 6.668 -4.883 16 HG2 PRO 3 HG2 PRO 3 -1.376 5.094 -5.647 17 HG3 PRO 3 HG3 PRO 3 0.178 5.265 -6.518 18 HD2 PRO 3 HD2 PRO 3 -0.428 3.084 -5.009 19 HD3 PRO 3 HD3 PRO 3 1.244 3.703 -5.185 20 H SER 4 H SER 4 -0.529 7.480 -1.444 21 HA SER 4 HA SER 4 -3.459 7.151 -1.701 22 HB2 SER 4 HB2 SER 4 -2.363 5.568 0.120 23 HB3 SER 4 HB3 SER 4 -2.309 7.065 1.081 24 HG SER 4 HG SER 4 -4.262 5.869 1.402 25 H ALA 5 H ALA 5 -4.568 8.701 -0.040 26 HA ALA 5 HA ALA 5 -3.828 11.333 -0.737 27 HB1 ALA 5 HB1 ALA 5 -5.278 11.873 1.399 28 HB2 ALA 5 HB2 ALA 5 -6.020 11.170 -0.059 29 HB3 ALA 5 HB3 ALA 5 -5.629 10.129 1.330 30 H ASP 6 H ASP 6 -2.647 9.247 1.785 31 HA ASP 6 HA ASP 6 -1.603 11.337 3.488 32 HB2 ASP 6 HB2 ASP 6 -2.048 8.975 4.212 33 HB3 ASP 6 HB3 ASP 6 -0.658 8.457 3.234 34 H GLN 7 H GLN 7 -0.517 9.765 0.569 35 HA GLN 7 HA GLN 7 2.279 10.482 0.894 36 HB2 GLN 7 HB2 GLN 7 0.575 9.463 -1.379 37 HB3 GLN 7 HB3 GLN 7 2.230 10.029 -1.683 38 HG2 GLN 7 HG2 GLN 7 1.785 8.056 0.515 39 HG3 GLN 7 HG3 GLN 7 1.687 7.493 -1.170 40 HE21 GLN 7 HE21 GLN 7 3.624 6.965 1.035 41 HE22 GLN 7 HE22 GLN 7 5.228 7.375 0.331 42 H VAL 8 H VAL 8 -0.597 12.042 -0.342 43 HA VAL 8 HA VAL 8 1.031 14.188 -1.590 44 HB VAL 8 HB VAL 8 -1.186 15.108 -2.298 45 HG11 VAL 8 HG11 VAL 8 -0.733 12.209 -3.065 46 HG12 VAL 8 HG12 VAL 8 -1.591 13.444 -4.020 47 HG13 VAL 8 HG13 VAL 8 0.158 13.598 -3.730 48 HG21 VAL 8 HG21 VAL 8 -2.288 12.516 -1.176 49 HG22 VAL 8 HG22 VAL 8 -2.498 14.117 -0.430 50 HG23 VAL 8 HG23 VAL 8 -3.197 13.785 -2.033 51 H ARG 9 H ARG 9 0.835 13.663 1.373 52 HA ARG 9 HA ARG 9 -0.735 15.874 2.434 53 HB2 ARG 9 HB2 ARG 9 1.264 13.922 3.585 54 HB3 ARG 9 HB3 ARG 9 0.696 15.306 4.539 55 HG2 ARG 9 HG2 ARG 9 -1.269 13.446 3.229 56 HG3 ARG 9 HG3 ARG 9 -0.496 13.018 4.776 57 HD2 ARG 9 HD2 ARG 9 -1.249 15.496 5.399 58 HD3 ARG 9 HD3 ARG 9 -2.464 15.173 4.139 59 HE ARG 9 HE ARG 9 -2.624 12.940 5.708 60 HH11 ARG 9 HH11 ARG 9 -2.682 16.406 6.380 61 HH12 ARG 9 HH12 ARG 9 -3.727 16.238 7.793 62 HH21 ARG 9 HH21 ARG 9 -3.973 12.731 7.534 63 HH22 ARG 9 HH22 ARG 9 -4.455 14.166 8.444 64 H TYR 10 H TYR 10 0.576 17.305 4.144 65 HA TYR 10 HA TYR 10 3.076 18.293 2.890 66 HB2 TYR 10 HB2 TYR 10 2.327 20.552 2.695 67 HB3 TYR 10 HB3 TYR 10 1.087 19.546 1.917 68 HD1 TYR 10 HD1 TYR 10 1.871 21.631 4.851 69 HD2 TYR 10 HD2 TYR 10 -1.127 19.370 2.851 70 HE1 TYR 10 HE1 TYR 10 0.154 22.651 6.287 71 HE2 TYR 10 HE2 TYR 10 -2.853 20.384 4.279 72 HH TYR 10 HH TYR 10 -2.014 22.420 7.021 73 H ASN 11 H ASN 11 4.255 19.816 4.254 74 HA ASN 11 HA ASN 11 3.548 19.436 7.138 75 HB2 ASN 11 HB2 ASN 11 5.488 18.135 6.819 76 HB3 ASN 11 HB3 ASN 11 6.215 19.320 5.712 77 HD21 ASN 11 HD21 ASN 11 7.861 20.359 6.519 78 HD22 ASN 11 HD22 ASN 11 8.070 20.805 8.249 79 H TYR 12 H TYR 12 3.760 21.153 8.527 80 HA TYR 12 HA TYR 12 3.657 23.775 7.267 81 HB2 TYR 12 HB2 TYR 12 3.512 22.803 10.134 82 HB3 TYR 12 HB3 TYR 12 3.516 24.532 9.723 83 HD1 TYR 12 HD2 TYR 12 1.718 25.247 7.937 84 HD2 TYR 12 HD1 TYR 12 1.483 21.704 10.280 85 HE1 TYR 12 HE2 TYR 12 -0.711 25.168 7.563 86 HE2 TYR 12 HE1 TYR 12 -0.948 21.615 9.912 87 HH TYR 12 HH TYR 12 -2.608 24.098 7.951 88 H THR 13 H THR 13 5.363 24.916 6.691 89 HA THR 13 HA THR 13 7.813 24.691 8.397 90 HB THR 13 HB THR 13 9.198 25.034 6.430 91 HG1 THR 13 HG1 THR 13 8.180 25.087 4.327 92 HG21 THR 13 HG21 THR 13 8.143 22.713 7.063 93 HG22 THR 13 HG22 THR 13 9.048 22.896 5.541 94 HG23 THR 13 HG23 THR 13 7.268 22.914 5.526 95 H GLU 14 H GLU 14 9.311 26.609 8.107 96 HA GLU 14 HA GLU 14 7.635 29.049 8.321 97 HB2 GLU 14 HB2 GLU 14 9.899 28.052 9.722 98 HB3 GLU 14 HB3 GLU 14 10.430 29.513 8.868 99 HG2 GLU 14 HG2 GLU 14 8.446 30.701 9.860 100 HG3 GLU 14 HG3 GLU 14 8.167 29.251 10.855 101 H LEU 15 H LEU 15 8.152 30.999 7.256 102 HA LEU 15 HA LEU 15 9.854 30.601 4.827 103 HB2 LEU 15 HB2 LEU 15 7.152 31.871 5.174 104 HB3 LEU 15 HB3 LEU 15 8.239 32.434 3.884 105 HG LEU 15 HG LEU 15 7.500 29.522 4.147 106 HD11 LEU 15 HD11 LEU 15 5.387 30.704 4.072 107 HD12 LEU 15 HD12 LEU 15 5.706 29.940 2.495 108 HD13 LEU 15 HD13 LEU 15 5.955 31.690 2.702 109 HD21 LEU 15 HD21 LEU 15 8.150 31.148 1.685 110 HD22 LEU 15 HD22 LEU 15 8.167 29.378 1.886 111 HD23 LEU 15 HD23 LEU 15 9.407 30.379 2.684 112 HA PRO 16 HA PRO 16 12.119 34.208 5.912 113 HB2 PRO 16 HB2 PRO 16 12.558 35.356 3.478 114 HB3 PRO 16 HB3 PRO 16 13.373 33.861 4.010 115 HG2 PRO 16 HG2 PRO 16 10.977 34.202 2.217 116 HG3 PRO 16 HG3 PRO 16 12.384 33.109 2.033 117 HD2 PRO 16 HD2 PRO 16 9.978 32.263 2.984 118 HD3 PRO 16 HD3 PRO 16 11.535 31.559 3.526 119 H ASN 17 H ASN 17 9.135 34.518 4.118 120 HA ASN 17 HA ASN 17 9.035 37.426 4.311 121 HB2 ASN 17 HB2 ASN 17 6.610 37.045 3.610 122 HB3 ASN 17 HB3 ASN 17 7.848 36.442 2.486 123 HD21 ASN 17 HD21 ASN 17 6.070 35.156 1.660 124 HD22 ASN 17 HD22 ASN 17 5.695 33.595 2.473 125 H GLY 18 H GLY 18 8.661 34.931 6.529 126 HA2 GLY 18 HA2 GLY 18 8.275 35.556 8.854 127 HA3 GLY 18 HA3 GLY 18 7.107 36.774 8.303 128 H GLU 19 H GLU 19 6.041 34.742 6.307 129 HA GLU 19 HA GLU 19 4.079 33.603 8.176 130 HB2 GLU 19 HB2 GLU 19 2.700 33.319 6.345 131 HB3 GLU 19 HB3 GLU 19 3.701 34.678 5.796 132 HG2 GLU 19 HG2 GLU 19 5.204 32.813 4.768 133 HG3 GLU 19 HG3 GLU 19 3.749 31.804 4.938 134 H TYR 20 H TYR 20 3.253 31.286 7.250 135 HA TYR 20 HA TYR 20 5.591 29.533 7.744 136 HB2 TYR 20 HB2 TYR 20 2.654 29.358 8.150 137 HB3 TYR 20 HB3 TYR 20 3.446 27.845 7.657 138 HD1 TYR 20 HD2 TYR 20 3.296 30.452 10.269 139 HD2 TYR 20 HD1 TYR 20 4.902 26.673 9.155 140 HE1 TYR 20 HE2 TYR 20 4.018 30.082 12.590 141 HE2 TYR 20 HE1 TYR 20 5.629 26.292 11.474 142 HH TYR 20 HH TYR 20 5.023 28.727 14.018 143 H CYS 21 H CYS 21 2.652 29.229 5.704 144 HA CYS 21 HA CYS 21 4.088 29.016 3.245 145 HB2 CYS 21 HB2 CYS 21 4.045 26.658 2.803 146 HB3 CYS 21 HB3 CYS 21 4.850 26.880 4.372 147 H TYR 22 H TYR 22 2.730 28.746 1.451 148 HA TYR 22 HA TYR 22 -0.060 29.390 2.034 149 HB2 TYR 22 HB2 TYR 22 1.615 29.162 -0.468 150 HB3 TYR 22 HB3 TYR 22 -0.156 29.270 -0.581 151 HD1 TYR 22 HD2 TYR 22 -0.846 31.180 1.499 152 HD2 TYR 22 HD1 TYR 22 2.466 31.196 -1.171 153 HE1 TYR 22 HE2 TYR 22 -0.713 33.629 1.688 154 HE2 TYR 22 HE1 TYR 22 2.609 33.644 -0.988 155 HH TYR 22 HH TYR 22 0.318 35.479 1.050 156 H THR 23 H THR 23 -1.627 27.978 2.338 157 HA THR 23 HA THR 23 -1.364 25.207 2.247 158 HB THR 23 HB THR 23 -4.018 25.466 1.647 159 HG1 THR 23 HG1 THR 23 -4.680 27.464 2.661 160 HG21 THR 23 HG21 THR 23 -3.582 24.417 3.646 161 HG22 THR 23 HG22 THR 23 -4.160 25.985 4.254 162 HG23 THR 23 HG23 THR 23 -2.415 25.655 4.167 163 HA PRO 24 HA PRO 24 -1.541 23.824 -1.921 164 HB2 PRO 24 HB2 PRO 24 -3.163 21.638 -1.748 165 HB3 PRO 24 HB3 PRO 24 -1.501 21.669 -1.103 166 HG2 PRO 24 HG2 PRO 24 -4.121 22.032 0.340 167 HG3 PRO 24 HG3 PRO 24 -2.679 21.089 0.827 168 HD2 PRO 24 HD2 PRO 24 -3.225 23.561 1.826 169 HD3 PRO 24 HD3 PRO 24 -1.554 22.962 1.589 170 H ARG 25 H ARG 25 -2.800 23.678 -3.822 171 HA ARG 25 HA ARG 25 -4.538 24.239 -5.213 172 HB2 ARG 25 HB2 ARG 25 -6.404 24.058 -2.830 173 HB3 ARG 25 HB3 ARG 25 -6.788 23.814 -4.545 174 HG2 ARG 25 HG2 ARG 25 -5.350 21.786 -4.534 175 HG3 ARG 25 HG3 ARG 25 -5.108 22.014 -2.784 176 HD2 ARG 25 HD2 ARG 25 -7.869 21.839 -3.988 177 HD3 ARG 25 HD3 ARG 25 -6.944 20.376 -3.570 178 HE ARG 25 HE ARG 25 -7.140 22.346 -1.415 179 HH11 ARG 25 HH11 ARG 25 -8.596 19.549 -3.002 180 HH12 ARG 25 HH12 ARG 25 -9.496 19.049 -1.566 181 HH21 ARG 25 HH21 ARG 25 -8.304 21.697 0.434 182 HH22 ARG 25 HH22 ARG 25 -9.332 20.262 0.371 183 H ARG 26 H ARG 26 -3.108 26.210 -3.394 184 HA ARG 26 HA ARG 26 -5.149 28.394 -3.543 185 HB2 ARG 26 HB2 ARG 26 -3.607 27.590 -1.381 186 HB3 ARG 26 HB3 ARG 26 -2.696 28.970 -2.026 187 HG2 ARG 26 HG2 ARG 26 -5.267 29.924 -2.046 188 HG3 ARG 26 HG3 ARG 26 -5.260 28.887 -0.597 189 HD2 ARG 26 HD2 ARG 26 -3.093 30.066 0.047 190 HD3 ARG 26 HD3 ARG 26 -3.466 31.236 -1.239 191 HE ARG 26 HE ARG 26 -4.729 31.012 1.379 192 HH11 ARG 26 HH11 ARG 26 -5.103 32.079 -1.966 193 HH12 ARG 26 HH12 ARG 26 -6.338 33.279 -1.574 194 HH21 ARG 26 HH21 ARG 26 -6.323 32.563 1.878 195 HH22 ARG 26 HH22 ARG 26 -7.025 33.553 0.595 196 H ARG 27 H ARG 27 -4.555 30.420 -4.379 197 HA ARG 27 HA ARG 27 -2.760 30.261 -6.625 198 HB2 ARG 27 HB2 ARG 27 -4.662 31.713 -6.773 199 HB3 ARG 27 HB3 ARG 27 -4.202 32.571 -5.289 200 HG2 ARG 27 HG2 ARG 27 -2.313 33.579 -6.381 201 HG3 ARG 27 HG3 ARG 27 -2.574 32.588 -7.838 202 HD2 ARG 27 HD2 ARG 27 -3.530 34.611 -8.444 203 HD3 ARG 27 HD3 ARG 27 -4.934 33.696 -7.848 204 HE ARG 27 HE ARG 27 -5.151 35.181 -6.087 205 HH11 ARG 27 HH11 ARG 27 -2.011 35.577 -7.650 206 HH12 ARG 27 HH12 ARG 27 -1.612 37.044 -6.750 207 HH21 ARG 27 HH21 ARG 27 -4.628 37.075 -4.929 208 HH22 ARG 27 HH22 ARG 27 -3.087 37.887 -5.215 209 H CYS 28 H CYS 28 -0.632 30.415 -6.650 210 HA CYS 28 HA CYS 28 0.659 32.167 -4.605 211 HB2 CYS 28 HB2 CYS 28 2.535 30.495 -4.506 212 HB3 CYS 28 HB3 CYS 28 1.000 29.906 -3.830 213 H THR 29 H THR 29 2.976 32.670 -5.200 214 HA THR 29 HA THR 29 3.123 33.056 -8.165 215 HB THR 29 HB THR 29 2.818 35.187 -7.002 216 HG1 THR 29 HG1 THR 29 4.765 36.207 -7.796 217 HG21 THR 29 HG21 THR 29 5.321 35.505 -5.680 218 HG22 THR 29 HG22 THR 29 4.584 33.998 -5.081 219 HG23 THR 29 HG23 THR 29 3.687 35.531 -4.975 220 H SER 30 H SER 30 4.691 31.911 -5.281 221 HA SER 30 HA SER 30 6.997 31.061 -6.971 222 HB2 SER 30 HB2 SER 30 7.546 31.777 -4.116 223 HB3 SER 30 HB3 SER 30 8.600 31.896 -5.545 224 HG SER 30 HG SER 30 7.928 33.963 -4.758 225 H ALA 31 H ALA 31 7.776 29.041 -6.588 226 HA ALA 31 HA ALA 31 6.048 27.177 -5.299 227 HB1 ALA 31 HB1 ALA 31 8.098 25.633 -5.528 228 HB2 ALA 31 HB2 ALA 31 7.393 26.319 -7.011 229 HB3 ALA 31 HB3 ALA 31 8.879 27.020 -6.327 230 H ASP 32 H ASP 32 8.927 28.912 -4.202 231 HA ASP 32 HA ASP 32 9.535 27.427 -1.897 232 HB2 ASP 32 HB2 ASP 32 10.739 29.472 -2.915 233 HB3 ASP 32 HB3 ASP 32 9.611 30.455 -1.956 234 H GLN 33 H GLN 33 7.000 29.837 -2.448 235 HA GLN 33 HA GLN 33 6.238 30.028 0.335 236 HB2 GLN 33 HB2 GLN 33 4.507 30.599 -2.093 237 HB3 GLN 33 HB3 GLN 33 4.329 31.264 -0.458 238 HG2 GLN 33 HG2 GLN 33 6.760 32.172 -0.909 239 HG3 GLN 33 HG3 GLN 33 6.282 31.967 -2.610 240 HE21 GLN 33 HE21 GLN 33 4.429 33.093 -3.390 241 HE22 GLN 33 HE22 GLN 33 3.923 34.626 -2.597 242 H CYS 34 H CYS 34 5.091 28.128 -2.454 243 HA CYS 34 HA CYS 34 2.802 26.990 -1.298 244 HB2 CYS 34 HB2 CYS 34 3.231 26.609 -3.612 245 HB3 CYS 34 HB3 CYS 34 4.819 25.886 -3.277 246 H CYS 35 H CYS 35 2.404 25.609 0.295 247 HA CYS 35 HA CYS 35 4.336 24.806 2.148 248 HB2 CYS 35 HB2 CYS 35 1.684 23.494 1.440 249 HB3 CYS 35 HB3 CYS 35 2.639 23.097 2.885 250 H ARG 36 H ARG 36 5.598 23.031 2.511 251 HA ARG 36 HA ARG 36 6.197 21.431 0.113 252 HB2 ARG 36 HB2 ARG 36 7.515 22.014 2.725 253 HB3 ARG 36 HB3 ARG 36 7.868 20.437 1.990 254 HG2 ARG 36 HG2 ARG 36 8.746 21.458 0.021 255 HG3 ARG 36 HG3 ARG 36 8.161 23.065 0.522 256 HD2 ARG 36 HD2 ARG 36 9.795 23.293 2.155 257 HD3 ARG 36 HD3 ARG 36 10.061 21.539 2.280 258 HE ARG 36 HE ARG 36 10.881 22.064 -0.265 259 HH11 ARG 36 HH11 ARG 36 11.587 23.546 2.859 260 HH12 ARG 36 HH12 ARG 36 13.219 24.036 2.395 261 HH21 ARG 36 HH21 ARG 36 12.989 22.700 -0.859 262 HH22 ARG 36 HH22 ARG 36 14.010 23.559 0.299 263 HA PRO 37 HA PRO 37 4.089 17.739 1.227 264 HB2 PRO 37 HB2 PRO 37 5.868 15.817 0.462 265 HB3 PRO 37 HB3 PRO 37 4.940 16.804 -0.700 266 HG2 PRO 37 HG2 PRO 37 7.781 17.128 0.244 267 HG3 PRO 37 HG3 PRO 37 7.113 17.271 -1.410 268 HD2 PRO 37 HD2 PRO 37 7.677 19.435 0.138 269 HD3 PRO 37 HD3 PRO 37 6.336 19.417 -1.050 270 H TYR 38 H TYR 38 3.893 16.140 2.787 271 HA TYR 38 HA TYR 38 5.178 16.550 5.241 272 HB2 TYR 38 HB2 TYR 38 3.052 15.199 4.702 273 HB3 TYR 38 HB3 TYR 38 4.144 13.838 4.365 274 HD1 TYR 38 HD2 TYR 38 5.693 13.069 6.234 275 HD2 TYR 38 HD1 TYR 38 2.421 15.703 6.903 276 HE1 TYR 38 HE2 TYR 38 5.741 12.510 8.629 277 HE2 TYR 38 HE1 TYR 38 2.460 15.153 9.301 278 HH TYR 38 HH TYR 38 4.668 12.682 10.588 279 H ASP 39 H ASP 39 6.181 14.635 2.480 280 HA ASP 39 HA ASP 39 8.761 14.142 3.870 281 HB2 ASP 39 HB2 ASP 39 6.900 12.052 2.756 282 HB3 ASP 39 HB3 ASP 39 8.656 11.796 2.656 283 H THR 40 H THR 40 10.031 15.388 2.639 284 HA THR 40 HA THR 40 9.656 15.908 -0.119 285 HB THR 40 HB THR 40 12.295 16.297 0.048 286 HG1 THR 40 HG1 THR 40 12.817 16.789 2.272 287 HG21 THR 40 HG21 THR 40 10.953 18.245 1.777 288 HG22 THR 40 HG22 THR 40 10.022 17.864 0.307 289 HG23 THR 40 HG23 THR 40 11.696 18.459 0.173 290 H THR 41 H THR 41 10.998 13.158 1.517 291 HA THR 41 HA THR 41 12.479 12.205 -0.823 292 HB THR 41 HB THR 41 12.902 10.187 0.499 293 HG1 THR 41 HG1 THR 41 11.995 10.069 2.650 294 HG21 THR 41 HG21 THR 41 13.819 12.724 1.061 295 HG22 THR 41 HG22 THR 41 14.472 11.216 1.747 296 HG23 THR 41 HG23 THR 41 13.264 12.157 2.654 297 H ALA 42 H ALA 42 9.239 12.307 0.060 298 HA ALA 42 HA ALA 42 8.652 10.087 -1.849 299 HB1 ALA 42 HB1 ALA 42 7.877 10.295 0.962 300 HB2 ALA 42 HB2 ALA 42 6.488 10.070 -0.127 301 HB3 ALA 42 HB3 ALA 42 7.829 8.898 -0.141 302 H ALA 43 H ALA 43 8.737 13.171 -1.802 303 HA ALA 43 HA ALA 43 6.592 13.577 -3.619 304 HB1 ALA 43 HB1 ALA 43 5.979 14.166 -0.748 305 HB2 ALA 43 HB2 ALA 43 5.356 15.265 -2.002 306 HB3 ALA 43 HB3 ALA 43 4.926 13.538 -2.039 307 H PHE 44 H PHE 44 6.234 15.951 -4.091 308 HA PHE 44 HA PHE 44 8.544 17.613 -3.232 309 HB2 PHE 44 HB2 PHE 44 8.787 18.334 -5.685 310 HB3 PHE 44 HB3 PHE 44 9.414 16.727 -5.253 311 HD1 PHE 44 HD2 PHE 44 8.195 14.706 -5.934 312 HD2 PHE 44 HD1 PHE 44 6.955 18.580 -7.184 313 HE1 PHE 44 HE2 PHE 44 6.816 13.691 -7.700 314 HE2 PHE 44 HE1 PHE 44 5.574 17.571 -8.952 315 HZ PHE 44 HZ PHE 44 5.501 15.123 -9.211 316 H HIS 45 H HIS 45 8.308 19.909 -3.897 317 HA HIS 45 HA HIS 45 5.402 20.629 -3.948 318 HB2 HIS 45 HB2 HIS 45 5.858 22.497 -2.568 319 HB3 HIS 45 HB3 HIS 45 6.787 21.165 -1.849 320 HD2 HIS 45 HD2 HIS 45 7.392 24.563 -3.667 321 HE1 HIS 45 HE1 HIS 45 11.135 23.055 -2.359 322 HE2 HIS 45 HE2 HIS 45 9.935 25.056 -3.377 323 H GLY 46 H GLY 46 4.990 22.881 -4.821 324 HA2 GLY 46 HA2 GLY 46 6.718 24.297 -6.479 325 HA3 GLY 46 HA3 GLY 46 6.115 22.976 -7.500 326 H CYS 47 H CYS 47 5.673 25.671 -8.095 327 HA CYS 47 HA CYS 47 2.754 25.924 -7.494 328 HB2 CYS 47 HB2 CYS 47 4.949 27.954 -7.822 329 HB3 CYS 47 HB3 CYS 47 3.294 28.396 -8.298 330 H GLY 48 H GLY 48 1.404 25.602 -9.124 331 HA2 GLY 48 HA2 GLY 48 1.793 26.664 -11.741 332 HA3 GLY 48 HA3 GLY 48 2.309 24.968 -11.748 333 H ARG 49 H ARG 49 0.496 24.998 -13.401 334 HA ARG 49 HA ARG 49 -2.128 24.668 -12.004 335 HB2 ARG 49 HB2 ARG 49 -1.552 25.151 -14.952 336 HB3 ARG 49 HB3 ARG 49 -3.160 24.997 -14.218 337 HG2 ARG 49 HG2 ARG 49 -3.087 27.080 -13.275 338 HG3 ARG 49 HG3 ARG 49 -1.311 27.075 -13.135 339 HD2 ARG 49 HD2 ARG 49 -2.901 27.366 -15.705 340 HD3 ARG 49 HD3 ARG 49 -2.089 28.684 -14.824 341 HE ARG 49 HE ARG 49 -0.882 26.801 -16.651 342 HH11 ARG 49 HH11 ARG 49 -0.330 28.691 -13.721 343 HH12 ARG 49 HH12 ARG 49 1.418 28.778 -13.961 344 HH21 ARG 49 HH21 ARG 49 1.374 26.918 -16.955 345 HH22 ARG 49 HH22 ARG 49 2.379 27.781 -15.785 346 H ILE 50 H ILE 50 -2.203 22.582 -11.377 347 HA ILE 50 HA ILE 50 -1.492 20.519 -13.411 348 HB ILE 50 HB ILE 50 -1.535 18.917 -11.509 349 HG12 ILE 50 HG12 ILE 50 -1.521 21.216 -9.577 350 HG13 ILE 50 HG13 ILE 50 -3.087 20.646 -10.195 351 HG21 ILE 50 HG21 ILE 50 0.595 19.493 -10.674 352 HG22 ILE 50 HG22 ILE 50 0.515 20.227 -12.293 353 HG23 ILE 50 HG23 ILE 50 0.284 21.237 -10.846 354 HD11 ILE 50 HD11 ILE 50 -1.026 18.903 -8.831 355 HD12 ILE 50 HD12 ILE 50 -2.453 19.618 -8.043 356 HD13 ILE 50 HD13 ILE 50 -2.660 18.426 -9.347 357 H TRP 51 H TRP 51 -4.036 22.200 -13.124 358 HA TRP 51 HA TRP 51 -5.860 19.874 -13.395 359 HB2 TRP 51 HB2 TRP 51 -6.302 22.242 -11.547 360 HB3 TRP 51 HB3 TRP 51 -7.619 21.183 -12.097 361 HD1 TRP 51 HD1 TRP 51 -5.356 21.571 -9.278 362 HE1 TRP 51 HE1 TRP 51 -5.159 19.397 -7.871 363 HE3 TRP 51 HE3 TRP 51 -7.425 18.316 -12.635 364 HZ2 TRP 51 HZ2 TRP 51 -5.820 16.668 -8.211 365 HZ3 TRP 51 HZ3 TRP 51 -7.607 15.942 -12.016 366 HH2 TRP 51 HH2 TRP 51 -6.820 15.136 -9.851 367 HA PRO 52 HA PRO 52 -7.431 22.081 -16.857 368 HB2 PRO 52 HB2 PRO 52 -10.048 21.311 -16.848 369 HB3 PRO 52 HB3 PRO 52 -8.713 20.219 -17.309 370 HG2 PRO 52 HG2 PRO 52 -10.185 20.443 -14.690 371 HG3 PRO 52 HG3 PRO 52 -9.682 18.978 -15.587 372 HD2 PRO 52 HD2 PRO 52 -8.298 19.940 -13.452 373 HD3 PRO 52 HD3 PRO 52 -7.505 19.099 -14.821 374 H LYS 53 H LYS 53 -9.343 22.308 -13.856 375 HA LYS 53 HA LYS 53 -10.852 24.610 -14.662 376 HB2 LYS 53 HB2 LYS 53 -10.266 23.190 -12.094 377 HB3 LYS 53 HB3 LYS 53 -10.878 24.852 -11.986 378 HG2 LYS 53 HG2 LYS 53 -12.695 23.976 -13.668 379 HG3 LYS 53 HG3 LYS 53 -12.218 22.385 -13.025 380 HD2 LYS 53 HD2 LYS 53 -14.036 23.123 -11.686 381 HD3 LYS 53 HD3 LYS 53 -12.568 23.364 -10.704 382 HE2 LYS 53 HE2 LYS 53 -12.616 25.682 -10.980 383 HE3 LYS 53 HE3 LYS 53 -13.657 25.588 -12.420 384 HZ1 LYS 53 HZ1 LYS 53 -15.509 24.996 -11.060 385 HZ2 LYS 53 HZ2 LYS 53 -14.803 26.374 -10.382 386 HZ3 LYS 53 HZ3 LYS 53 -14.547 24.858 -9.676 387 H ASP 54 H ASP 54 -7.732 24.179 -13.029 388 HA ASP 54 HA ASP 54 -7.445 27.040 -12.512 389 HB2 ASP 54 HB2 ASP 54 -5.498 24.711 -12.328 390 HB3 ASP 54 HB3 ASP 54 -5.102 26.379 -11.859 391 H LYS 55 H LYS 55 -6.592 24.770 -15.039 392 HA LYS 55 HA LYS 55 -4.540 26.309 -16.293 393 HB2 LYS 55 HB2 LYS 55 -5.394 23.848 -16.697 394 HB3 LYS 55 HB3 LYS 55 -6.466 24.622 -17.881 395 HG2 LYS 55 HG2 LYS 55 -4.720 25.254 -19.257 396 HG3 LYS 55 HG3 LYS 55 -3.524 25.204 -17.939 397 HD2 LYS 55 HD2 LYS 55 -4.124 22.639 -17.909 398 HD3 LYS 55 HD3 LYS 55 -4.674 22.964 -19.572 399 HE2 LYS 55 HE2 LYS 55 -1.967 23.905 -18.658 400 HE3 LYS 55 HE3 LYS 55 -2.210 22.207 -19.132 401 HZ1 LYS 55 HZ1 LYS 55 -3.202 23.151 -21.248 402 HZ2 LYS 55 HZ2 LYS 55 -1.528 23.311 -21.065 403 HZ3 LYS 55 HZ3 LYS 55 -2.539 24.641 -20.796 404 H ARG 56 H ARG 56 -8.065 26.117 -16.921 405 HA ARG 56 HA ARG 56 -8.119 27.984 -19.047 406 HB2 ARG 56 HB2 ARG 56 -10.460 28.057 -18.746 407 HB3 ARG 56 HB3 ARG 56 -9.984 26.441 -18.184 408 HG2 ARG 56 HG2 ARG 56 -9.836 27.810 -15.858 409 HG3 ARG 56 HG3 ARG 56 -11.114 28.732 -16.689 410 HD2 ARG 56 HD2 ARG 56 -11.230 25.734 -16.684 411 HD3 ARG 56 HD3 ARG 56 -11.695 26.624 -15.212 412 HE ARG 56 HE ARG 56 -13.187 26.412 -17.698 413 HH11 ARG 56 HH11 ARG 56 -12.531 28.422 -14.870 414 HH12 ARG 56 HH12 ARG 56 -14.089 29.252 -14.947 415 HH21 ARG 56 HH21 ARG 56 -15.196 27.487 -17.790 416 HH22 ARG 56 HH22 ARG 56 -15.592 28.723 -16.593 417 H GLU 57 H GLU 57 -7.692 28.438 -15.631 418 HA GLU 57 HA GLU 57 -8.352 31.317 -15.816 419 HB2 GLU 57 HB2 GLU 57 -7.487 29.534 -13.516 420 HB3 GLU 57 HB3 GLU 57 -7.727 31.284 -13.358 421 HG2 GLU 57 HG2 GLU 57 -10.084 30.912 -14.209 422 HG3 GLU 57 HG3 GLU 57 -9.785 29.170 -14.006 423 H LYS 58 H LYS 58 -5.637 29.177 -15.955 424 HA LYS 58 HA LYS 58 -3.386 29.561 -16.195 425 HB2 LYS 58 HB2 LYS 58 -4.368 32.324 -16.995 426 HB3 LYS 58 HB3 LYS 58 -2.700 31.755 -17.200 427 HG2 LYS 58 HG2 LYS 58 -4.890 30.093 -18.357 428 HG3 LYS 58 HG3 LYS 58 -4.493 31.634 -19.155 429 HD2 LYS 58 HD2 LYS 58 -3.028 30.260 -20.253 430 HD3 LYS 58 HD3 LYS 58 -2.011 30.705 -18.860 431 HE2 LYS 58 HE2 LYS 58 -2.506 28.652 -17.741 432 HE3 LYS 58 HE3 LYS 58 -3.775 28.244 -18.922 433 HZ1 LYS 58 HZ1 LYS 58 -1.658 27.038 -19.265 434 HZ2 LYS 58 HZ2 LYS 58 -0.885 28.508 -19.590 435 HZ3 LYS 58 HZ3 LYS 58 -2.119 27.956 -20.608 436 H VAL 59 H VAL 59 -3.999 29.497 -13.641 437 HA VAL 59 HA VAL 59 -2.403 31.750 -12.497 438 HB VAL 59 HB VAL 59 -4.710 32.152 -11.864 439 HG11 VAL 59 HG11 VAL 59 -4.754 29.406 -10.589 440 HG12 VAL 59 HG12 VAL 59 -6.100 30.560 -10.754 441 HG13 VAL 59 HG13 VAL 59 -5.432 29.756 -12.196 442 HG21 VAL 59 HG21 VAL 59 -4.033 31.118 -9.263 443 HG22 VAL 59 HG22 VAL 59 -2.572 31.750 -10.055 444 HG23 VAL 59 HG23 VAL 59 -3.996 32.798 -9.853 445 H ASP 60 H ASP 60 -0.620 31.075 -11.534 446 HA ASP 60 HA ASP 60 -0.054 28.288 -11.180 447 HB2 ASP 60 HB2 ASP 60 1.327 30.732 -10.001 448 HB3 ASP 60 HB3 ASP 60 1.993 29.084 -10.023 449 H ARG 61 H ARG 61 -1.014 27.009 -9.755 450 HA ARG 61 HA ARG 61 -1.588 28.152 -7.051 451 HB2 ARG 61 HB2 ARG 61 -2.889 25.821 -8.509 452 HB3 ARG 61 HB3 ARG 61 -3.274 26.332 -6.852 453 HG2 ARG 61 HG2 ARG 61 -3.440 28.500 -8.823 454 HG3 ARG 61 HG3 ARG 61 -4.568 27.154 -9.127 455 HD2 ARG 61 HD2 ARG 61 -4.892 27.445 -6.460 456 HD3 ARG 61 HD3 ARG 61 -4.474 29.117 -6.901 457 HE ARG 61 HE ARG 61 -6.411 28.292 -8.746 458 HH11 ARG 61 HH11 ARG 61 -6.127 28.690 -5.249 459 HH12 ARG 61 HH12 ARG 61 -7.841 29.064 -5.031 460 HH21 ARG 61 HH21 ARG 61 -8.620 28.777 -8.456 461 HH22 ARG 61 HH22 ARG 61 -9.247 29.113 -6.839 462 H CYS 62 H CYS 62 -1.157 26.907 -5.195 463 HA CYS 62 HA CYS 62 1.284 25.390 -5.377 464 HB2 CYS 62 HB2 CYS 62 0.861 26.653 -3.380 465 HB3 CYS 62 HB3 CYS 62 -0.704 25.851 -3.127 466 H TYR 63 H TYR 63 1.645 23.289 -5.641 467 HA TYR 63 HA TYR 63 -0.609 21.406 -5.143 468 HB2 TYR 63 HB2 TYR 63 -0.329 20.298 -7.241 469 HB3 TYR 63 HB3 TYR 63 -0.447 22.033 -7.603 470 HD1 TYR 63 HD2 TYR 63 1.788 19.115 -7.512 471 HD2 TYR 63 HD1 TYR 63 1.464 23.251 -8.456 472 HE1 TYR 63 HE2 TYR 63 3.914 18.995 -8.741 473 HE2 TYR 63 HE1 TYR 63 3.589 23.143 -9.688 474 HH TYR 63 HH TYR 63 5.538 20.169 -9.743 475 H ILE 64 H ILE 64 0.001 19.250 -4.701 476 HA ILE 64 HA ILE 64 2.918 18.815 -4.298 477 HB ILE 64 HB ILE 64 0.794 18.313 -2.185 478 HG12 ILE 64 HG12 ILE 64 3.189 20.194 -2.214 479 HG13 ILE 64 HG13 ILE 64 1.489 20.681 -2.388 480 HG21 ILE 64 HG21 ILE 64 2.148 16.754 -1.358 481 HG22 ILE 64 HG22 ILE 64 3.320 17.039 -2.665 482 HG23 ILE 64 HG23 ILE 64 3.417 17.987 -1.160 483 HD11 ILE 64 HD11 ILE 64 2.977 20.458 -0.026 484 HD12 ILE 64 HD12 ILE 64 1.227 20.749 -0.188 485 HD13 ILE 64 HD13 ILE 64 1.842 19.088 -0.009 486 H CYS 65 H CYS 65 3.458 17.051 -5.370 487 HA CYS 65 HA CYS 65 1.469 14.814 -5.435 488 HB2 CYS 65 HB2 CYS 65 3.518 15.600 -7.546 489 HB3 CYS 65 HB3 CYS 65 2.451 14.180 -7.624 490 H ASN 66 H ASN 66 2.303 12.662 -5.443 491 HA ASN 66 HA ASN 66 4.552 12.373 -3.637 492 HB2 ASN 66 HB2 ASN 66 4.127 9.950 -3.868 493 HB3 ASN 66 HB3 ASN 66 2.623 10.848 -3.558 494 HD21 ASN 66 HD21 ASN 66 2.426 8.354 -4.518 495 HD22 ASN 66 HD22 ASN 66 1.922 8.390 -6.244 496 H ASN 67 H ASN 67 6.343 10.794 -4.084 497 HA ASN 67 HA ASN 67 7.925 11.743 -6.233 498 HB2 ASN 67 HB2 ASN 67 8.081 9.499 -4.272 499 HB3 ASN 67 HB3 ASN 67 9.102 9.360 -5.719 500 HD21 ASN 67 HD21 ASN 67 10.948 9.513 -4.412 501 HD22 ASN 67 HD22 ASN 67 11.478 11.103 -3.761 502 H GLU 68 H GLU 68 5.574 9.151 -6.055 503 HA GLU 68 HA GLU 68 6.451 7.895 -8.538 504 HB2 GLU 68 HB2 GLU 68 3.762 7.585 -7.165 505 HB3 GLU 68 HB3 GLU 68 4.558 6.447 -8.271 506 HG2 GLU 68 HG2 GLU 68 6.436 6.491 -6.406 507 HG3 GLU 68 HG3 GLU 68 5.070 6.988 -5.380 508 H LYS 69 H LYS 69 4.784 10.722 -7.784 509 HA LYS 69 HA LYS 69 3.463 12.156 -9.001 510 HB2 LYS 69 HB2 LYS 69 5.024 10.749 -11.182 511 HB3 LYS 69 HB3 LYS 69 3.878 12.053 -11.548 512 HG2 LYS 69 HG2 LYS 69 5.175 13.669 -10.535 513 HG3 LYS 69 HG3 LYS 69 6.009 12.494 -9.487 514 HD2 LYS 69 HD2 LYS 69 7.083 11.558 -11.575 515 HD3 LYS 69 HD3 LYS 69 6.406 12.949 -12.456 516 HE2 LYS 69 HE2 LYS 69 8.578 13.630 -11.916 517 HE3 LYS 69 HE3 LYS 69 7.567 14.393 -10.666 518 HZ1 LYS 69 HZ1 LYS 69 9.759 12.947 -10.152 519 HZ2 LYS 69 HZ2 LYS 69 8.572 11.749 -10.005 520 HZ3 LYS 69 HZ3 LYS 69 8.485 13.147 -9.056 521 H THR 70 H THR 70 2.330 9.559 -8.261 522 HA THR 70 HA THR 70 0.482 9.055 -10.540 523 HB THR 70 HB THR 70 -0.205 7.043 -9.363 524 HG1 THR 70 HG1 THR 70 -0.131 7.415 -7.223 525 HG21 THR 70 HG21 THR 70 1.576 5.967 -10.179 526 HG22 THR 70 HG22 THR 70 2.601 6.572 -8.856 527 HG23 THR 70 HG23 THR 70 2.396 7.539 -10.335 528 H LEU 71 H LEU 71 0.611 10.210 -7.208 529 HA LEU 71 HA LEU 71 -2.297 10.877 -7.443 530 HB2 LEU 71 HB2 LEU 71 -1.479 9.129 -5.686 531 HB3 LEU 71 HB3 LEU 71 -0.883 10.554 -4.806 532 HG LEU 71 HG LEU 71 -3.421 11.337 -5.225 533 HD11 LEU 71 HD11 LEU 71 -3.373 8.420 -5.674 534 HD12 LEU 71 HD12 LEU 71 -4.573 9.641 -6.159 535 HD13 LEU 71 HD13 LEU 71 -4.589 8.986 -4.505 536 HD21 LEU 71 HD21 LEU 71 -3.464 9.584 -2.954 537 HD22 LEU 71 HD22 LEU 71 -3.319 11.358 -3.004 538 HD23 LEU 71 HD23 LEU 71 -1.859 10.342 -3.078 539 H CYS 72 H CYS 72 -2.973 12.905 -6.853 540 HA CYS 72 HA CYS 72 -0.939 14.783 -5.794 541 HB2 CYS 72 HB2 CYS 72 -2.472 15.234 -8.384 542 HB3 CYS 72 HB3 CYS 72 -1.493 16.461 -7.551 543 H THR 73 H THR 73 -1.946 16.966 -5.329 544 HA THR 73 HA THR 73 -4.290 16.524 -3.712 545 HB THR 73 HB THR 73 -4.159 19.217 -3.773 546 HG1 THR 73 HG1 THR 73 -1.907 19.782 -4.038 547 HG21 THR 73 HG21 THR 73 -1.952 17.799 -2.310 548 HG22 THR 73 HG22 THR 73 -3.646 17.403 -1.931 549 HG23 THR 73 HG23 THR 73 -3.057 19.072 -1.741 550 H SER 74 H SER 74 -6.401 17.003 -4.021 551 HA SER 74 HA SER 74 -7.441 17.087 -6.637 552 HB2 SER 74 HB2 SER 74 -8.526 16.701 -4.200 553 HB3 SER 74 HB3 SER 74 -9.045 18.381 -4.471 554 HG SER 74 HG SER 74 -10.572 16.838 -5.266 555 H VAL 75 H VAL 75 -9.100 18.902 -7.289 556 HA VAL 75 HA VAL 75 -7.451 21.339 -7.570 557 HB VAL 75 HB VAL 75 -8.538 20.305 -9.560 558 HG11 VAL 75 HG11 VAL 75 -10.729 19.846 -9.690 559 HG12 VAL 75 HG12 VAL 75 -10.742 20.051 -7.922 560 HG13 VAL 75 HG13 VAL 75 -11.192 21.410 -8.980 561 HG21 VAL 75 HG21 VAL 75 -9.835 22.983 -9.200 562 HG22 VAL 75 HG22 VAL 75 -8.061 22.864 -9.136 563 HG23 VAL 75 HG23 VAL 75 -8.937 22.329 -10.591 564 H MET 76 H MET 76 -10.313 20.193 -5.928 565 HA MET 76 HA MET 76 -10.842 22.994 -5.017 566 HB2 MET 76 HB2 MET 76 -12.677 20.600 -5.324 567 HB3 MET 76 HB3 MET 76 -13.126 22.029 -4.372 568 HG2 MET 76 HG2 MET 76 -12.683 23.402 -6.451 569 HG3 MET 76 HG3 MET 76 -12.568 21.863 -7.334 570 HE1 MET 76 HE1 MET 76 -14.352 20.016 -7.038 571 HE2 MET 76 HE2 MET 76 -15.106 20.278 -5.446 572 HE3 MET 76 HE3 MET 76 -16.099 20.341 -6.924 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 4.365 -0.320 -1.379 2 H2 GLY 1 H2 GLY 1 4.410 0.534 -2.845 3 H3 GLY 1 H3 GLY 1 3.528 1.149 -1.531 4 HA2 GLY 1 HA2 GLY 1 2.961 -1.348 -2.984 5 HA3 GLY 1 HA3 GLY 1 2.040 -0.702 -1.611 6 H THR 2 H THR 2 0.713 1.102 -1.869 7 HA THR 2 HA THR 2 0.325 1.946 -4.713 8 HB THR 2 HB THR 2 -2.184 2.218 -3.820 9 HG1 THR 2 HG1 THR 2 -2.677 0.362 -2.488 10 HG21 THR 2 HG21 THR 2 -2.240 0.925 -5.662 11 HG22 THR 2 HG22 THR 2 -2.234 -0.450 -4.527 12 HG23 THR 2 HG23 THR 2 -0.709 0.116 -5.249 13 HA PRO 3 HA PRO 3 0.356 6.109 -3.306 14 HB2 PRO 3 HB2 PRO 3 -1.541 7.263 -4.892 15 HB3 PRO 3 HB3 PRO 3 0.051 6.741 -5.502 16 HG2 PRO 3 HG2 PRO 3 -2.612 5.344 -5.667 17 HG3 PRO 3 HG3 PRO 3 -1.349 5.528 -6.923 18 HD2 PRO 3 HD2 PRO 3 -1.658 3.247 -5.472 19 HD3 PRO 3 HD3 PRO 3 -0.062 3.811 -6.061 20 H SER 4 H SER 4 -0.688 7.640 -2.019 21 HA SER 4 HA SER 4 -3.504 7.121 -1.277 22 HB2 SER 4 HB2 SER 4 -2.691 7.367 1.217 23 HB3 SER 4 HB3 SER 4 -2.611 5.782 0.411 24 HG SER 4 HG SER 4 -0.651 6.322 1.514 25 H ALA 5 H ALA 5 -4.518 8.861 -0.173 26 HA ALA 5 HA ALA 5 -3.714 11.422 -1.095 27 HB1 ALA 5 HB1 ALA 5 -6.023 10.582 -0.300 28 HB2 ALA 5 HB2 ALA 5 -5.465 11.042 1.327 29 HB3 ALA 5 HB3 ALA 5 -5.569 12.269 0.041 30 H ASP 6 H ASP 6 -2.690 9.572 1.632 31 HA ASP 6 HA ASP 6 -1.873 11.810 3.282 32 HB2 ASP 6 HB2 ASP 6 -2.238 9.182 3.776 33 HB3 ASP 6 HB3 ASP 6 -0.477 9.181 3.532 34 H GLN 7 H GLN 7 -0.557 10.184 0.524 35 HA GLN 7 HA GLN 7 2.212 10.890 1.041 36 HB2 GLN 7 HB2 GLN 7 0.672 9.854 -1.339 37 HB3 GLN 7 HB3 GLN 7 2.347 10.409 -1.527 38 HG2 GLN 7 HG2 GLN 7 1.646 8.413 0.604 39 HG3 GLN 7 HG3 GLN 7 1.846 7.894 -1.086 40 HE21 GLN 7 HE21 GLN 7 3.372 8.314 1.823 41 HE22 GLN 7 HE22 GLN 7 5.070 8.400 1.239 42 H VAL 8 H VAL 8 -0.537 12.384 -0.578 43 HA VAL 8 HA VAL 8 1.156 14.505 -1.725 44 HB VAL 8 HB VAL 8 -0.979 15.452 -2.548 45 HG11 VAL 8 HG11 VAL 8 -1.525 13.647 -4.113 46 HG12 VAL 8 HG12 VAL 8 0.235 13.782 -3.879 47 HG13 VAL 8 HG13 VAL 8 -0.674 12.480 -3.074 48 HG21 VAL 8 HG21 VAL 8 -2.350 13.015 -1.403 49 HG22 VAL 8 HG22 VAL 8 -2.296 14.572 -0.542 50 HG23 VAL 8 HG23 VAL 8 -3.082 14.463 -2.134 51 H ARG 9 H ARG 9 0.299 13.878 1.312 52 HA ARG 9 HA ARG 9 -1.024 16.205 2.248 53 HB2 ARG 9 HB2 ARG 9 0.883 14.229 3.506 54 HB3 ARG 9 HB3 ARG 9 0.318 15.644 4.419 55 HG2 ARG 9 HG2 ARG 9 -1.633 13.792 3.068 56 HG3 ARG 9 HG3 ARG 9 -0.945 13.406 4.666 57 HD2 ARG 9 HD2 ARG 9 -1.869 15.369 5.638 58 HD3 ARG 9 HD3 ARG 9 -2.279 16.050 4.045 59 HE ARG 9 HE ARG 9 -3.694 13.671 4.171 60 HH11 ARG 9 HH11 ARG 9 -3.445 16.587 6.143 61 HH12 ARG 9 HH12 ARG 9 -5.111 16.485 6.721 62 HH21 ARG 9 HH21 ARG 9 -5.844 13.545 4.919 63 HH22 ARG 9 HH22 ARG 9 -6.464 14.769 6.031 64 H TYR 10 H TYR 10 0.296 17.585 4.042 65 HA TYR 10 HA TYR 10 2.807 18.568 2.798 66 HB2 TYR 10 HB2 TYR 10 2.077 20.869 2.785 67 HB3 TYR 10 HB3 TYR 10 0.891 19.906 1.877 68 HD1 TYR 10 HD1 TYR 10 1.511 21.712 5.042 69 HD2 TYR 10 HD2 TYR 10 -1.368 19.705 2.637 70 HE1 TYR 10 HE1 TYR 10 -0.287 22.600 6.464 71 HE2 TYR 10 HE2 TYR 10 -3.174 20.588 4.052 72 HH TYR 10 HH TYR 10 -3.709 22.032 5.681 73 H ASN 11 H ASN 11 3.988 20.093 4.203 74 HA ASN 11 HA ASN 11 3.332 19.599 7.082 75 HB2 ASN 11 HB2 ASN 11 5.607 19.224 7.589 76 HB3 ASN 11 HB3 ASN 11 5.344 18.318 6.083 77 HD21 ASN 11 HD21 ASN 11 7.722 19.657 7.433 78 HD22 ASN 11 HD22 ASN 11 8.443 20.642 6.112 79 H TYR 12 H TYR 12 3.601 21.267 8.515 80 HA TYR 12 HA TYR 12 3.561 23.927 7.342 81 HB2 TYR 12 HB2 TYR 12 3.481 22.894 10.195 82 HB3 TYR 12 HB3 TYR 12 3.463 24.627 9.801 83 HD1 TYR 12 HD2 TYR 12 1.627 25.267 7.960 84 HD2 TYR 12 HD1 TYR 12 1.446 21.864 10.509 85 HE1 TYR 12 HE2 TYR 12 -0.813 25.178 7.661 86 HE2 TYR 12 HE1 TYR 12 -0.993 21.764 10.214 87 HH TYR 12 HH TYR 12 -2.622 22.995 7.889 88 H THR 13 H THR 13 5.332 24.911 6.663 89 HA THR 13 HA THR 13 7.784 24.641 8.362 90 HB THR 13 HB THR 13 9.166 24.852 6.402 91 HG1 THR 13 HG1 THR 13 7.923 24.845 4.274 92 HG21 THR 13 HG21 THR 13 7.612 22.656 6.928 93 HG22 THR 13 HG22 THR 13 8.936 22.706 5.740 94 HG23 THR 13 HG23 THR 13 7.255 22.949 5.209 95 H GLU 14 H GLU 14 9.324 26.494 8.126 96 HA GLU 14 HA GLU 14 7.738 29.002 8.251 97 HB2 GLU 14 HB2 GLU 14 9.891 27.934 9.761 98 HB3 GLU 14 HB3 GLU 14 10.535 29.345 8.899 99 HG2 GLU 14 HG2 GLU 14 8.623 30.681 9.788 100 HG3 GLU 14 HG3 GLU 14 8.150 29.267 10.757 101 H LEU 15 H LEU 15 8.116 30.785 7.004 102 HA LEU 15 HA LEU 15 9.954 30.323 4.693 103 HB2 LEU 15 HB2 LEU 15 7.323 31.741 4.990 104 HB3 LEU 15 HB3 LEU 15 8.459 32.242 3.716 105 HG LEU 15 HG LEU 15 7.565 29.373 3.977 106 HD11 LEU 15 HD11 LEU 15 5.478 30.400 3.797 107 HD12 LEU 15 HD12 LEU 15 5.918 30.055 2.108 108 HD13 LEU 15 HD13 LEU 15 6.099 31.702 2.755 109 HD21 LEU 15 HD21 LEU 15 9.413 29.633 2.523 110 HD22 LEU 15 HD22 LEU 15 8.734 31.107 1.792 111 HD23 LEU 15 HD23 LEU 15 7.982 29.525 1.470 112 HA PRO 16 HA PRO 16 12.414 33.801 5.767 113 HB2 PRO 16 HB2 PRO 16 12.963 34.883 3.325 114 HB3 PRO 16 HB3 PRO 16 13.677 33.352 3.892 115 HG2 PRO 16 HG2 PRO 16 11.335 33.807 2.054 116 HG3 PRO 16 HG3 PRO 16 12.676 32.630 1.911 117 HD2 PRO 16 HD2 PRO 16 10.209 31.943 2.832 118 HD3 PRO 16 HD3 PRO 16 11.711 31.156 3.412 119 H ASN 17 H ASN 17 9.453 34.238 3.996 120 HA ASN 17 HA ASN 17 9.533 37.160 4.122 121 HB2 ASN 17 HB2 ASN 17 7.344 37.085 3.123 122 HB3 ASN 17 HB3 ASN 17 8.333 35.835 2.335 123 HD21 ASN 17 HD21 ASN 17 5.531 35.904 2.293 124 HD22 ASN 17 HD22 ASN 17 4.937 34.470 3.200 125 H GLY 18 H GLY 18 9.053 34.760 6.386 126 HA2 GLY 18 HA2 GLY 18 8.647 35.437 8.688 127 HA3 GLY 18 HA3 GLY 18 7.536 36.686 8.098 128 H GLU 19 H GLU 19 6.381 34.700 6.132 129 HA GLU 19 HA GLU 19 4.366 33.663 7.997 130 HB2 GLU 19 HB2 GLU 19 4.506 33.222 4.998 131 HB3 GLU 19 HB3 GLU 19 3.077 33.136 6.048 132 HG2 GLU 19 HG2 GLU 19 4.625 35.588 5.203 133 HG3 GLU 19 HG3 GLU 19 2.935 35.167 4.839 134 H TYR 20 H TYR 20 3.459 31.363 7.042 135 HA TYR 20 HA TYR 20 5.724 29.525 7.606 136 HB2 TYR 20 HB2 TYR 20 2.786 29.484 8.041 137 HB3 TYR 20 HB3 TYR 20 3.510 27.928 7.580 138 HD1 TYR 20 HD2 TYR 20 3.461 30.589 10.133 139 HD2 TYR 20 HD1 TYR 20 4.960 26.747 9.088 140 HE1 TYR 20 HE2 TYR 20 4.189 30.247 12.457 141 HE2 TYR 20 HE1 TYR 20 5.693 26.396 11.410 142 HH TYR 20 HH TYR 20 5.389 28.963 13.848 143 H CYS 21 H CYS 21 2.753 29.291 5.605 144 HA CYS 21 HA CYS 21 4.142 28.971 3.133 145 HB2 CYS 21 HB2 CYS 21 4.054 26.614 2.748 146 HB3 CYS 21 HB3 CYS 21 4.844 26.834 4.325 147 H TYR 22 H TYR 22 2.751 28.727 1.369 148 HA TYR 22 HA TYR 22 -0.017 29.436 1.989 149 HB2 TYR 22 HB2 TYR 22 1.617 29.171 -0.536 150 HB3 TYR 22 HB3 TYR 22 -0.152 29.328 -0.619 151 HD1 TYR 22 HD2 TYR 22 -0.728 31.248 1.506 152 HD2 TYR 22 HD1 TYR 22 2.481 31.188 -1.286 153 HE1 TYR 22 HE2 TYR 22 -0.524 33.692 1.698 154 HE2 TYR 22 HE1 TYR 22 2.696 33.631 -1.099 155 HH TYR 22 HH TYR 22 0.545 35.513 1.047 156 H THR 23 H THR 23 -1.592 28.043 2.335 157 HA THR 23 HA THR 23 -1.382 25.271 2.221 158 HB THR 23 HB THR 23 -4.043 25.569 1.697 159 HG1 THR 23 HG1 THR 23 -4.651 27.579 2.717 160 HG21 THR 23 HG21 THR 23 -2.367 25.735 4.167 161 HG22 THR 23 HG22 THR 23 -3.580 24.524 3.687 162 HG23 THR 23 HG23 THR 23 -4.101 26.110 4.308 163 HA PRO 24 HA PRO 24 -1.702 23.909 -1.947 164 HB2 PRO 24 HB2 PRO 24 -3.392 21.777 -1.752 165 HB3 PRO 24 HB3 PRO 24 -1.716 21.751 -1.142 166 HG2 PRO 24 HG2 PRO 24 -4.292 22.190 0.356 167 HG3 PRO 24 HG3 PRO 24 -2.872 21.198 0.809 168 HD2 PRO 24 HD2 PRO 24 -3.317 23.681 1.833 169 HD3 PRO 24 HD3 PRO 24 -1.671 23.027 1.555 170 H ARG 25 H ARG 25 -3.009 23.806 -3.822 171 HA ARG 25 HA ARG 25 -4.755 24.432 -5.175 172 HB2 ARG 25 HB2 ARG 25 -6.542 24.266 -2.724 173 HB3 ARG 25 HB3 ARG 25 -7.021 24.128 -4.427 174 HG2 ARG 25 HG2 ARG 25 -5.050 22.173 -3.304 175 HG3 ARG 25 HG3 ARG 25 -6.779 21.999 -2.914 176 HD2 ARG 25 HD2 ARG 25 -6.159 20.669 -4.882 177 HD3 ARG 25 HD3 ARG 25 -7.326 21.947 -5.297 178 HE ARG 25 HE ARG 25 -5.775 22.838 -6.740 179 HH11 ARG 25 HH11 ARG 25 -4.136 20.834 -4.338 180 HH12 ARG 25 HH12 ARG 25 -2.551 21.013 -5.095 181 HH21 ARG 25 HH21 ARG 25 -3.723 23.064 -7.710 182 HH22 ARG 25 HH22 ARG 25 -2.317 22.270 -6.994 183 H ARG 26 H ARG 26 -3.267 26.327 -3.238 184 HA ARG 26 HA ARG 26 -5.219 28.584 -3.383 185 HB2 ARG 26 HB2 ARG 26 -3.679 27.715 -1.258 186 HB3 ARG 26 HB3 ARG 26 -2.706 29.045 -1.918 187 HG2 ARG 26 HG2 ARG 26 -5.537 29.727 -1.705 188 HG3 ARG 26 HG3 ARG 26 -4.814 29.269 -0.143 189 HD2 ARG 26 HD2 ARG 26 -3.303 31.017 -0.176 190 HD3 ARG 26 HD3 ARG 26 -3.338 31.151 -1.951 191 HE ARG 26 HE ARG 26 -5.911 31.817 -0.969 192 HH11 ARG 26 HH11 ARG 26 -2.591 33.015 -0.900 193 HH12 ARG 26 HH12 ARG 26 -3.077 34.708 -0.750 194 HH21 ARG 26 HH21 ARG 26 -6.530 34.002 -0.777 195 HH22 ARG 26 HH22 ARG 26 -5.298 35.264 -0.679 196 H ARG 27 H ARG 27 -4.701 30.499 -4.382 197 HA ARG 27 HA ARG 27 -2.914 30.328 -6.602 198 HB2 ARG 27 HB2 ARG 27 -4.794 31.813 -6.721 199 HB3 ARG 27 HB3 ARG 27 -4.286 32.676 -5.257 200 HG2 ARG 27 HG2 ARG 27 -2.376 33.607 -6.410 201 HG3 ARG 27 HG3 ARG 27 -2.748 32.649 -7.865 202 HD2 ARG 27 HD2 ARG 27 -3.619 34.760 -8.360 203 HD3 ARG 27 HD3 ARG 27 -5.038 33.841 -7.805 204 HE ARG 27 HE ARG 27 -4.002 35.087 -5.529 205 HH11 ARG 27 HH11 ARG 27 -5.266 36.054 -8.679 206 HH12 ARG 27 HH12 ARG 27 -5.892 37.597 -8.090 207 HH21 ARG 27 HH21 ARG 27 -4.811 37.080 -4.776 208 HH22 ARG 27 HH22 ARG 27 -5.634 38.177 -5.888 209 H CYS 28 H CYS 28 -0.785 30.447 -6.675 210 HA CYS 28 HA CYS 28 0.578 32.194 -4.673 211 HB2 CYS 28 HB2 CYS 28 2.436 30.471 -4.635 212 HB3 CYS 28 HB3 CYS 28 0.924 29.966 -3.853 213 H THR 29 H THR 29 3.059 32.286 -5.368 214 HA THR 29 HA THR 29 3.078 32.800 -8.317 215 HB THR 29 HB THR 29 4.531 34.742 -7.929 216 HG1 THR 29 HG1 THR 29 4.376 33.795 -5.280 217 HG21 THR 29 HG21 THR 29 1.806 34.617 -7.527 218 HG22 THR 29 HG22 THR 29 2.759 36.112 -7.680 219 HG23 THR 29 HG23 THR 29 2.372 35.464 -6.067 220 H SER 30 H SER 30 4.880 31.890 -5.408 221 HA SER 30 HA SER 30 6.984 30.761 -7.214 222 HB2 SER 30 HB2 SER 30 7.609 31.559 -4.375 223 HB3 SER 30 HB3 SER 30 8.692 31.445 -5.784 224 HG SER 30 HG SER 30 6.786 33.472 -5.156 225 H ALA 31 H ALA 31 7.780 28.735 -6.752 226 HA ALA 31 HA ALA 31 5.989 26.935 -5.454 227 HB1 ALA 31 HB1 ALA 31 7.878 25.290 -5.700 228 HB2 ALA 31 HB2 ALA 31 7.404 26.125 -7.200 229 HB3 ALA 31 HB3 ALA 31 8.872 26.628 -6.327 230 H ASP 32 H ASP 32 8.921 28.596 -4.367 231 HA ASP 32 HA ASP 32 9.443 27.139 -2.022 232 HB2 ASP 32 HB2 ASP 32 10.699 29.155 -3.110 233 HB3 ASP 32 HB3 ASP 32 9.651 30.154 -2.077 234 H GLN 33 H GLN 33 7.027 29.653 -2.652 235 HA GLN 33 HA GLN 33 6.249 29.957 0.109 236 HB2 GLN 33 HB2 GLN 33 4.535 30.496 -2.336 237 HB3 GLN 33 HB3 GLN 33 4.402 31.241 -0.731 238 HG2 GLN 33 HG2 GLN 33 6.484 32.412 -1.040 239 HG3 GLN 33 HG3 GLN 33 6.778 31.563 -2.576 240 HE21 GLN 33 HE21 GLN 33 5.191 34.167 -0.970 241 HE22 GLN 33 HE22 GLN 33 4.432 34.891 -2.430 242 H CYS 34 H CYS 34 5.139 27.930 -2.587 243 HA CYS 34 HA CYS 34 2.780 26.931 -1.388 244 HB2 CYS 34 HB2 CYS 34 3.197 26.509 -3.713 245 HB3 CYS 34 HB3 CYS 34 4.729 25.684 -3.353 246 H CYS 35 H CYS 35 2.357 25.576 0.223 247 HA CYS 35 HA CYS 35 4.283 24.765 2.078 248 HB2 CYS 35 HB2 CYS 35 1.603 23.490 1.409 249 HB3 CYS 35 HB3 CYS 35 2.560 23.107 2.857 250 H ARG 36 H ARG 36 5.595 23.045 2.398 251 HA ARG 36 HA ARG 36 6.140 21.385 0.049 252 HB2 ARG 36 HB2 ARG 36 7.421 21.873 2.715 253 HB3 ARG 36 HB3 ARG 36 7.797 20.354 1.875 254 HG2 ARG 36 HG2 ARG 36 8.727 21.495 0.021 255 HG3 ARG 36 HG3 ARG 36 8.062 23.058 0.554 256 HD2 ARG 36 HD2 ARG 36 9.941 21.561 2.352 257 HD3 ARG 36 HD3 ARG 36 10.593 22.456 0.959 258 HE ARG 36 HE ARG 36 8.772 24.081 2.499 259 HH11 ARG 36 HH11 ARG 36 12.047 22.764 2.425 260 HH12 ARG 36 HH12 ARG 36 12.726 24.070 3.400 261 HH21 ARG 36 HH21 ARG 36 9.655 25.764 3.760 262 HH22 ARG 36 HH22 ARG 36 11.376 25.761 4.155 263 HA PRO 37 HA PRO 37 3.964 17.727 1.136 264 HB2 PRO 37 HB2 PRO 37 5.739 15.769 0.461 265 HB3 PRO 37 HB3 PRO 37 4.868 16.753 -0.747 266 HG2 PRO 37 HG2 PRO 37 7.679 17.048 0.295 267 HG3 PRO 37 HG3 PRO 37 7.074 17.178 -1.384 268 HD2 PRO 37 HD2 PRO 37 7.614 19.356 0.155 269 HD3 PRO 37 HD3 PRO 37 6.314 19.342 -1.081 270 H TYR 38 H TYR 38 3.679 16.169 2.718 271 HA TYR 38 HA TYR 38 4.987 16.592 5.187 272 HB2 TYR 38 HB2 TYR 38 2.731 15.426 4.655 273 HB3 TYR 38 HB3 TYR 38 3.703 13.954 4.447 274 HD1 TYR 38 HD2 TYR 38 5.256 13.322 6.433 275 HD2 TYR 38 HD1 TYR 38 1.973 16.005 6.773 276 HE1 TYR 38 HE2 TYR 38 5.200 12.937 8.862 277 HE2 TYR 38 HE1 TYR 38 1.909 15.629 9.202 278 HH TYR 38 HH TYR 38 4.222 13.412 10.787 279 H ASP 39 H ASP 39 5.740 14.441 2.510 280 HA ASP 39 HA ASP 39 8.183 13.602 4.014 281 HB2 ASP 39 HB2 ASP 39 7.982 11.434 2.611 282 HB3 ASP 39 HB3 ASP 39 6.904 11.625 4.013 283 H THR 40 H THR 40 9.469 15.150 3.038 284 HA THR 40 HA THR 40 9.492 15.762 0.276 285 HB THR 40 HB THR 40 12.008 16.327 0.787 286 HG1 THR 40 HG1 THR 40 12.328 16.583 3.088 287 HG21 THR 40 HG21 THR 40 10.511 18.012 2.609 288 HG22 THR 40 HG22 THR 40 9.560 17.671 1.143 289 HG23 THR 40 HG23 THR 40 11.181 18.393 1.005 290 H THR 41 H THR 41 10.749 13.021 2.019 291 HA THR 41 HA THR 41 12.590 12.218 -0.103 292 HB THR 41 HB THR 41 12.967 10.218 1.195 293 HG1 THR 41 HG1 THR 41 11.660 9.815 3.092 294 HG21 THR 41 HG21 THR 41 14.086 12.178 2.054 295 HG22 THR 41 HG22 THR 41 13.516 11.204 3.430 296 HG23 THR 41 HG23 THR 41 12.628 12.671 2.951 297 H ALA 42 H ALA 42 9.231 12.058 0.376 298 HA ALA 42 HA ALA 42 9.049 10.019 -1.794 299 HB1 ALA 42 HB1 ALA 42 8.382 8.652 -0.077 300 HB2 ALA 42 HB2 ALA 42 7.710 9.992 0.883 301 HB3 ALA 42 HB3 ALA 42 6.820 9.375 -0.530 302 H ALA 43 H ALA 43 8.927 13.007 -1.656 303 HA ALA 43 HA ALA 43 6.771 13.373 -3.483 304 HB1 ALA 43 HB1 ALA 43 5.377 14.916 -2.011 305 HB2 ALA 43 HB2 ALA 43 5.217 13.168 -1.715 306 HB3 ALA 43 HB3 ALA 43 6.204 14.168 -0.622 307 H PHE 44 H PHE 44 6.348 15.757 -3.910 308 HA PHE 44 HA PHE 44 8.619 17.464 -3.052 309 HB2 PHE 44 HB2 PHE 44 9.014 18.161 -5.432 310 HB3 PHE 44 HB3 PHE 44 9.455 16.471 -5.097 311 HD1 PHE 44 HD2 PHE 44 8.072 14.643 -5.958 312 HD2 PHE 44 HD1 PHE 44 7.233 18.702 -6.924 313 HE1 PHE 44 HE2 PHE 44 6.638 13.901 -7.814 314 HE2 PHE 44 HE1 PHE 44 5.798 17.966 -8.782 315 HZ PHE 44 HZ PHE 44 5.498 15.562 -9.228 316 H HIS 45 H HIS 45 8.336 19.752 -3.772 317 HA HIS 45 HA HIS 45 5.418 20.402 -3.751 318 HB2 HIS 45 HB2 HIS 45 5.934 22.404 -2.564 319 HB3 HIS 45 HB3 HIS 45 6.863 21.111 -1.776 320 HD2 HIS 45 HD2 HIS 45 7.458 24.384 -3.790 321 HE1 HIS 45 HE1 HIS 45 11.233 22.841 -2.622 322 HE2 HIS 45 HE2 HIS 45 10.024 24.826 -3.660 323 H GLY 46 H GLY 46 4.923 22.622 -4.714 324 HA2 GLY 46 HA2 GLY 46 6.586 23.825 -6.651 325 HA3 GLY 46 HA3 GLY 46 5.691 22.540 -7.482 326 H CYS 47 H CYS 47 5.586 25.457 -7.848 327 HA CYS 47 HA CYS 47 2.709 25.861 -7.128 328 HB2 CYS 47 HB2 CYS 47 4.153 27.472 -5.980 329 HB3 CYS 47 HB3 CYS 47 4.907 27.929 -7.521 330 H GLY 48 H GLY 48 1.349 25.806 -8.777 331 HA2 GLY 48 HA2 GLY 48 1.595 27.276 -11.150 332 HA3 GLY 48 HA3 GLY 48 2.316 25.695 -11.500 333 H ARG 49 H ARG 49 0.607 25.502 -13.098 334 HA ARG 49 HA ARG 49 -1.997 24.757 -11.825 335 HB2 ARG 49 HB2 ARG 49 -1.476 25.638 -14.690 336 HB3 ARG 49 HB3 ARG 49 -3.057 25.250 -13.981 337 HG2 ARG 49 HG2 ARG 49 -3.198 27.227 -12.859 338 HG3 ARG 49 HG3 ARG 49 -1.436 27.358 -12.640 339 HD2 ARG 49 HD2 ARG 49 -2.933 27.781 -15.246 340 HD3 ARG 49 HD3 ARG 49 -2.325 29.070 -14.180 341 HE ARG 49 HE ARG 49 -0.288 27.158 -15.051 342 HH11 ARG 49 HH11 ARG 49 -2.024 30.149 -15.764 343 HH12 ARG 49 HH12 ARG 49 -0.747 30.783 -16.808 344 HH21 ARG 49 HH21 ARG 49 1.355 27.983 -16.399 345 HH22 ARG 49 HH22 ARG 49 1.158 29.562 -17.166 346 H ILE 50 H ILE 50 -2.034 22.625 -11.540 347 HA ILE 50 HA ILE 50 -0.818 20.901 -13.637 348 HB ILE 50 HB ILE 50 -1.177 19.056 -11.973 349 HG12 ILE 50 HG12 ILE 50 -1.846 21.335 -10.069 350 HG13 ILE 50 HG13 ILE 50 -3.047 20.219 -10.756 351 HG21 ILE 50 HG21 ILE 50 0.933 20.471 -12.230 352 HG22 ILE 50 HG22 ILE 50 0.408 21.326 -10.761 353 HG23 ILE 50 HG23 ILE 50 0.743 19.578 -10.701 354 HD11 ILE 50 HD11 ILE 50 -2.247 19.711 -8.415 355 HD12 ILE 50 HD12 ILE 50 -2.140 18.374 -9.586 356 HD13 ILE 50 HD13 ILE 50 -0.678 19.283 -9.136 357 H TRP 51 H TRP 51 -3.871 21.796 -12.166 358 HA TRP 51 HA TRP 51 -5.271 19.630 -13.630 359 HB2 TRP 51 HB2 TRP 51 -6.210 21.703 -11.615 360 HB3 TRP 51 HB3 TRP 51 -7.302 20.569 -12.441 361 HD1 TRP 51 HD1 TRP 51 -5.199 20.873 -9.408 362 HE1 TRP 51 HE1 TRP 51 -5.002 18.599 -8.170 363 HE3 TRP 51 HE3 TRP 51 -7.059 17.851 -13.090 364 HZ2 TRP 51 HZ2 TRP 51 -5.585 15.891 -8.748 365 HZ3 TRP 51 HZ3 TRP 51 -7.206 15.431 -12.668 366 HH2 TRP 51 HH2 TRP 51 -6.483 14.472 -10.541 367 HA PRO 52 HA PRO 52 -6.590 22.135 -16.992 368 HB2 PRO 52 HB2 PRO 52 -9.089 21.142 -17.452 369 HB3 PRO 52 HB3 PRO 52 -7.598 20.246 -17.845 370 HG2 PRO 52 HG2 PRO 52 -9.416 19.984 -15.459 371 HG3 PRO 52 HG3 PRO 52 -8.648 18.703 -16.443 372 HD2 PRO 52 HD2 PRO 52 -7.666 19.488 -14.030 373 HD3 PRO 52 HD3 PRO 52 -6.616 18.912 -15.364 374 H LYS 53 H LYS 53 -8.819 21.826 -14.236 375 HA LYS 53 HA LYS 53 -10.581 23.937 -14.928 376 HB2 LYS 53 HB2 LYS 53 -9.767 22.593 -12.367 377 HB3 LYS 53 HB3 LYS 53 -10.729 24.081 -12.280 378 HG2 LYS 53 HG2 LYS 53 -12.244 22.815 -14.033 379 HG3 LYS 53 HG3 LYS 53 -11.468 21.378 -13.323 380 HD2 LYS 53 HD2 LYS 53 -13.493 21.775 -12.111 381 HD3 LYS 53 HD3 LYS 53 -12.139 22.252 -11.058 382 HE2 LYS 53 HE2 LYS 53 -12.642 24.483 -11.183 383 HE3 LYS 53 HE3 LYS 53 -13.353 24.343 -12.810 384 HZ1 LYS 53 HZ1 LYS 53 -14.601 23.510 -10.239 385 HZ2 LYS 53 HZ2 LYS 53 -15.258 23.185 -11.764 386 HZ3 LYS 53 HZ3 LYS 53 -15.084 24.784 -11.243 387 H ASP 54 H ASP 54 -7.616 23.960 -12.917 388 HA ASP 54 HA ASP 54 -7.721 26.774 -12.377 389 HB2 ASP 54 HB2 ASP 54 -5.341 24.877 -12.421 390 HB3 ASP 54 HB3 ASP 54 -5.350 26.504 -11.703 391 H LYS 55 H LYS 55 -6.383 24.849 -15.013 392 HA LYS 55 HA LYS 55 -4.727 26.866 -16.161 393 HB2 LYS 55 HB2 LYS 55 -4.460 24.617 -16.904 394 HB3 LYS 55 HB3 LYS 55 -6.175 24.474 -17.330 395 HG2 LYS 55 HG2 LYS 55 -5.830 26.151 -19.129 396 HG3 LYS 55 HG3 LYS 55 -4.093 26.165 -18.733 397 HD2 LYS 55 HD2 LYS 55 -4.716 23.459 -19.009 398 HD3 LYS 55 HD3 LYS 55 -5.638 24.258 -20.305 399 HE2 LYS 55 HE2 LYS 55 -3.342 25.540 -20.664 400 HE3 LYS 55 HE3 LYS 55 -2.681 24.089 -19.869 401 HZ1 LYS 55 HZ1 LYS 55 -4.580 23.767 -22.100 402 HZ2 LYS 55 HZ2 LYS 55 -3.331 22.746 -21.594 403 HZ3 LYS 55 HZ3 LYS 55 -2.972 24.162 -22.442 404 H ARG 56 H ARG 56 -8.190 26.194 -16.407 405 HA ARG 56 HA ARG 56 -8.759 27.836 -18.652 406 HB2 ARG 56 HB2 ARG 56 -10.573 27.451 -16.248 407 HB3 ARG 56 HB3 ARG 56 -11.047 27.778 -17.927 408 HG2 ARG 56 HG2 ARG 56 -9.694 25.490 -18.306 409 HG3 ARG 56 HG3 ARG 56 -10.230 25.237 -16.626 410 HD2 ARG 56 HD2 ARG 56 -11.865 24.313 -18.162 411 HD3 ARG 56 HD3 ARG 56 -12.555 25.721 -17.323 412 HE ARG 56 HE ARG 56 -12.810 26.764 -19.356 413 HH11 ARG 56 HH11 ARG 56 -10.391 24.209 -19.632 414 HH12 ARG 56 HH12 ARG 56 -10.207 24.404 -21.379 415 HH21 ARG 56 HH21 ARG 56 -12.569 27.011 -21.610 416 HH22 ARG 56 HH22 ARG 56 -11.434 25.985 -22.493 417 H GLU 57 H GLU 57 -8.137 28.608 -15.282 418 HA GLU 57 HA GLU 57 -8.948 31.427 -15.744 419 HB2 GLU 57 HB2 GLU 57 -8.243 29.800 -13.297 420 HB3 GLU 57 HB3 GLU 57 -8.252 31.573 -13.238 421 HG2 GLU 57 HG2 GLU 57 -10.646 31.293 -14.285 422 HG3 GLU 57 HG3 GLU 57 -10.525 29.659 -13.591 423 H LYS 58 H LYS 58 -6.196 29.412 -15.828 424 HA LYS 58 HA LYS 58 -3.957 29.852 -16.078 425 HB2 LYS 58 HB2 LYS 58 -5.027 32.593 -16.840 426 HB3 LYS 58 HB3 LYS 58 -3.334 32.096 -17.037 427 HG2 LYS 58 HG2 LYS 58 -5.422 30.340 -18.231 428 HG3 LYS 58 HG3 LYS 58 -5.131 31.919 -19.001 429 HD2 LYS 58 HD2 LYS 58 -3.573 30.683 -20.127 430 HD3 LYS 58 HD3 LYS 58 -2.589 31.144 -18.716 431 HE2 LYS 58 HE2 LYS 58 -2.943 29.031 -17.672 432 HE3 LYS 58 HE3 LYS 58 -4.208 28.589 -18.843 433 HZ1 LYS 58 HZ1 LYS 58 -2.342 28.814 -20.564 434 HZ2 LYS 58 HZ2 LYS 58 -2.339 27.445 -19.569 435 HZ3 LYS 58 HZ3 LYS 58 -1.280 28.726 -19.250 436 H VAL 59 H VAL 59 -4.497 29.709 -13.531 437 HA VAL 59 HA VAL 59 -2.941 31.972 -12.362 438 HB VAL 59 HB VAL 59 -5.242 32.377 -11.722 439 HG11 VAL 59 HG11 VAL 59 -5.305 29.618 -10.476 440 HG12 VAL 59 HG12 VAL 59 -6.643 30.780 -10.641 441 HG13 VAL 59 HG13 VAL 59 -5.971 29.984 -12.083 442 HG21 VAL 59 HG21 VAL 59 -4.739 32.862 -9.578 443 HG22 VAL 59 HG22 VAL 59 -4.337 31.174 -9.181 444 HG23 VAL 59 HG23 VAL 59 -3.136 32.206 -9.993 445 H ASP 60 H ASP 60 -1.149 31.278 -11.437 446 HA ASP 60 HA ASP 60 -0.568 28.501 -11.109 447 HB2 ASP 60 HB2 ASP 60 0.735 31.063 -10.189 448 HB3 ASP 60 HB3 ASP 60 1.348 29.496 -9.617 449 H ARG 61 H ARG 61 -1.039 27.092 -9.567 450 HA ARG 61 HA ARG 61 -1.853 28.190 -6.906 451 HB2 ARG 61 HB2 ARG 61 -3.037 25.769 -8.315 452 HB3 ARG 61 HB3 ARG 61 -3.510 26.398 -6.725 453 HG2 ARG 61 HG2 ARG 61 -3.648 28.324 -8.970 454 HG3 ARG 61 HG3 ARG 61 -4.802 26.968 -9.024 455 HD2 ARG 61 HD2 ARG 61 -4.460 28.416 -6.435 456 HD3 ARG 61 HD3 ARG 61 -5.333 29.248 -7.744 457 HE ARG 61 HE ARG 61 -6.252 26.990 -6.154 458 HH11 ARG 61 HH11 ARG 61 -6.512 28.676 -9.245 459 HH12 ARG 61 HH12 ARG 61 -8.142 28.079 -9.572 460 HH21 ARG 61 HH21 ARG 61 -8.356 26.224 -6.582 461 HH22 ARG 61 HH22 ARG 61 -9.183 26.696 -8.070 462 H CYS 62 H CYS 62 -1.400 26.901 -5.074 463 HA CYS 62 HA CYS 62 1.110 25.489 -5.291 464 HB2 CYS 62 HB2 CYS 62 0.679 26.708 -3.277 465 HB3 CYS 62 HB3 CYS 62 -0.871 25.876 -3.024 466 H TYR 63 H TYR 63 1.536 23.404 -5.587 467 HA TYR 63 HA TYR 63 -0.675 21.455 -5.131 468 HB2 TYR 63 HB2 TYR 63 -0.273 20.349 -7.213 469 HB3 TYR 63 HB3 TYR 63 -0.444 22.078 -7.581 470 HD1 TYR 63 HD2 TYR 63 1.898 19.250 -7.403 471 HD2 TYR 63 HD1 TYR 63 1.446 23.368 -8.366 472 HE1 TYR 63 HE2 TYR 63 4.071 19.213 -8.555 473 HE2 TYR 63 HE1 TYR 63 3.617 23.343 -9.521 474 HH TYR 63 HH TYR 63 5.684 20.451 -9.501 475 H ILE 64 H ILE 64 0.029 19.242 -4.850 476 HA ILE 64 HA ILE 64 2.918 18.899 -4.289 477 HB ILE 64 HB ILE 64 0.754 18.394 -2.216 478 HG12 ILE 64 HG12 ILE 64 3.150 20.275 -2.224 479 HG13 ILE 64 HG13 ILE 64 1.448 20.755 -2.399 480 HG21 ILE 64 HG21 ILE 64 2.382 16.593 -2.188 481 HG22 ILE 64 HG22 ILE 64 3.721 17.766 -2.171 482 HG23 ILE 64 HG23 ILE 64 2.626 17.646 -0.773 483 HD11 ILE 64 HD11 ILE 64 1.622 21.133 -0.188 484 HD12 ILE 64 HD12 ILE 64 1.325 19.381 -0.074 485 HD13 ILE 64 HD13 ILE 64 2.987 20.008 0.007 486 H CYS 65 H CYS 65 3.526 17.122 -5.299 487 HA CYS 65 HA CYS 65 1.577 14.851 -5.389 488 HB2 CYS 65 HB2 CYS 65 3.622 15.662 -7.495 489 HB3 CYS 65 HB3 CYS 65 2.578 14.226 -7.569 490 H ASN 66 H ASN 66 2.466 12.716 -5.391 491 HA ASN 66 HA ASN 66 4.659 12.462 -3.534 492 HB2 ASN 66 HB2 ASN 66 4.367 10.030 -3.875 493 HB3 ASN 66 HB3 ASN 66 2.810 10.842 -3.603 494 HD21 ASN 66 HD21 ASN 66 2.753 8.392 -4.659 495 HD22 ASN 66 HD22 ASN 66 2.333 8.471 -6.406 496 H ASN 67 H ASN 67 6.577 11.068 -3.917 497 HA ASN 67 HA ASN 67 8.170 12.143 -5.999 498 HB2 ASN 67 HB2 ASN 67 8.424 9.960 -3.994 499 HB3 ASN 67 HB3 ASN 67 9.488 9.836 -5.412 500 HD21 ASN 67 HD21 ASN 67 11.149 10.070 -3.735 501 HD22 ASN 67 HD22 ASN 67 11.622 11.738 -3.259 502 H GLU 68 H GLU 68 5.961 9.448 -5.943 503 HA GLU 68 HA GLU 68 7.065 8.215 -8.357 504 HB2 GLU 68 HB2 GLU 68 4.407 7.765 -6.945 505 HB3 GLU 68 HB3 GLU 68 5.093 6.742 -8.223 506 HG2 GLU 68 HG2 GLU 68 6.792 7.212 -5.833 507 HG3 GLU 68 HG3 GLU 68 5.339 6.212 -5.606 508 H LYS 69 H LYS 69 5.179 10.929 -7.711 509 HA LYS 69 HA LYS 69 3.865 12.287 -9.018 510 HB2 LYS 69 HB2 LYS 69 5.554 10.899 -11.114 511 HB3 LYS 69 HB3 LYS 69 4.369 12.146 -11.547 512 HG2 LYS 69 HG2 LYS 69 5.532 13.721 -10.017 513 HG3 LYS 69 HG3 LYS 69 6.768 12.471 -9.732 514 HD2 LYS 69 HD2 LYS 69 6.953 12.439 -12.338 515 HD3 LYS 69 HD3 LYS 69 6.170 14.035 -12.230 516 HE2 LYS 69 HE2 LYS 69 8.479 14.491 -12.233 517 HE3 LYS 69 HE3 LYS 69 7.986 14.625 -10.526 518 HZ1 LYS 69 HZ1 LYS 69 8.688 11.985 -10.887 519 HZ2 LYS 69 HZ2 LYS 69 9.588 13.172 -10.085 520 HZ3 LYS 69 HZ3 LYS 69 9.874 12.855 -11.723 521 H THR 70 H THR 70 2.918 9.541 -8.320 522 HA THR 70 HA THR 70 1.151 8.928 -10.620 523 HB THR 70 HB THR 70 0.477 6.946 -9.348 524 HG1 THR 70 HG1 THR 70 1.526 6.542 -7.299 525 HG21 THR 70 HG21 THR 70 3.488 7.348 -9.330 526 HG22 THR 70 HG22 THR 70 2.513 6.818 -10.722 527 HG23 THR 70 HG23 THR 70 2.642 5.784 -9.281 528 H LEU 71 H LEU 71 1.027 10.031 -7.243 529 HA LEU 71 HA LEU 71 -1.874 10.631 -7.672 530 HB2 LEU 71 HB2 LEU 71 -1.088 8.940 -5.852 531 HB3 LEU 71 HB3 LEU 71 -0.589 10.398 -4.960 532 HG LEU 71 HG LEU 71 -3.120 11.094 -5.497 533 HD11 LEU 71 HD11 LEU 71 -4.230 9.403 -6.458 534 HD12 LEU 71 HD12 LEU 71 -4.206 8.655 -4.842 535 HD13 LEU 71 HD13 LEU 71 -2.968 8.218 -6.044 536 HD21 LEU 71 HD21 LEU 71 -3.182 9.283 -3.249 537 HD22 LEU 71 HD22 LEU 71 -3.193 11.063 -3.273 538 HD23 LEU 71 HD23 LEU 71 -1.645 10.182 -3.282 539 H CYS 72 H CYS 72 -2.693 12.614 -6.998 540 HA CYS 72 HA CYS 72 -0.763 14.599 -5.949 541 HB2 CYS 72 HB2 CYS 72 -2.269 14.939 -8.570 542 HB3 CYS 72 HB3 CYS 72 -1.419 16.245 -7.719 543 H THR 73 H THR 73 -1.831 16.664 -5.360 544 HA THR 73 HA THR 73 -4.020 16.243 -3.673 545 HB THR 73 HB THR 73 -4.294 18.917 -4.428 546 HG1 THR 73 HG1 THR 73 -2.528 18.968 -5.763 547 HG21 THR 73 HG21 THR 73 -3.620 19.301 -2.291 548 HG22 THR 73 HG22 THR 73 -2.170 18.282 -2.451 549 HG23 THR 73 HG23 THR 73 -3.760 17.531 -2.165 550 H SER 74 H SER 74 -6.180 17.394 -3.796 551 HA SER 74 HA SER 74 -7.613 16.317 -6.053 552 HB2 SER 74 HB2 SER 74 -8.529 16.604 -3.713 553 HB3 SER 74 HB3 SER 74 -8.614 18.356 -4.026 554 HG SER 74 HG SER 74 -10.613 17.272 -4.456 555 H VAL 75 H VAL 75 -9.426 17.931 -6.997 556 HA VAL 75 HA VAL 75 -7.824 19.993 -8.417 557 HB VAL 75 HB VAL 75 -9.075 18.320 -9.763 558 HG11 VAL 75 HG11 VAL 75 -11.259 17.866 -9.497 559 HG12 VAL 75 HG12 VAL 75 -11.084 18.671 -7.920 560 HG13 VAL 75 HG13 VAL 75 -11.692 19.582 -9.322 561 HG21 VAL 75 HG21 VAL 75 -9.807 19.841 -11.394 562 HG22 VAL 75 HG22 VAL 75 -10.325 21.037 -10.181 563 HG23 VAL 75 HG23 VAL 75 -8.591 20.750 -10.463 564 H MET 76 H MET 76 -10.407 19.601 -6.122 565 HA MET 76 HA MET 76 -11.423 22.327 -6.509 566 HB2 MET 76 HB2 MET 76 -12.009 20.176 -4.446 567 HB3 MET 76 HB3 MET 76 -12.799 21.765 -4.465 568 HG2 MET 76 HG2 MET 76 -13.661 21.285 -6.729 569 HG3 MET 76 HG3 MET 76 -12.918 19.671 -6.647 570 HE1 MET 76 HE1 MET 76 -15.192 21.988 -4.257 571 HE2 MET 76 HE2 MET 76 -15.879 21.885 -5.897 572 HE3 MET 76 HE3 MET 76 -16.722 21.122 -4.527
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