NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
539898 | 2loo | 18219 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H1 MET 1 -33.971 -13.714 28.580 2 HA MET 1 HA MET 1 -31.653 -13.865 29.433 3 HB2 MET 1 HB2 MET 1 -32.896 -16.084 30.753 4 HB3 MET 1 HB3 MET 1 -31.777 -16.797 29.607 5 HG2 MET 1 HG2 MET 1 -30.049 -15.038 30.549 6 HG3 MET 1 HG3 MET 1 -31.167 -14.887 31.890 7 HE1 MET 1 HE1 MET 1 -28.190 -16.053 30.977 8 HE2 MET 1 HE2 MET 1 -28.220 -16.092 32.757 9 HE3 MET 1 HE3 MET 1 -27.854 -17.573 31.840 10 H ASP 2 H ASP 2 -31.223 -13.343 27.270 11 HA ASP 2 HA ASP 2 -32.052 -14.619 25.073 12 HB2 ASP 2 HB2 ASP 2 -29.292 -13.417 25.592 13 HB3 ASP 2 HB3 ASP 2 -29.905 -13.792 23.994 14 H LEU 3 H LEU 3 -31.212 -16.373 23.732 15 HA LEU 3 HA LEU 3 -29.415 -18.169 25.199 16 HB2 LEU 3 HB2 LEU 3 -31.937 -18.651 24.336 17 HB3 LEU 3 HB3 LEU 3 -31.024 -19.190 22.941 18 HG LEU 3 HG LEU 3 -29.668 -20.369 25.053 19 HD11 LEU 3 HD11 LEU 3 -31.128 -21.223 26.631 20 HD12 LEU 3 HD12 LEU 3 -31.727 -19.560 26.422 21 HD13 LEU 3 HD13 LEU 3 -32.566 -20.914 25.628 22 HD21 LEU 3 HD21 LEU 3 -30.674 -21.164 22.707 23 HD22 LEU 3 HD22 LEU 3 -30.140 -22.303 23.966 24 HD23 LEU 3 HD23 LEU 3 -31.869 -21.920 23.788 25 H ILE 4 H ILE 4 -30.339 -17.381 21.769 26 HA ILE 4 HA ILE 4 -28.179 -18.359 20.506 27 HB ILE 4 HB ILE 4 -29.804 -17.528 19.135 28 HG12 ILE 4 HG12 ILE 4 -28.236 -15.066 18.722 29 HG13 ILE 4 HG13 ILE 4 -27.269 -16.525 18.799 30 HG21 ILE 4 HG21 ILE 4 -30.280 -14.860 19.435 31 HG22 ILE 4 HG22 ILE 4 -31.250 -16.160 20.168 32 HG23 ILE 4 HG23 ILE 4 -29.977 -15.355 21.117 33 HD11 ILE 4 HD11 ILE 4 -29.786 -16.445 17.105 34 HD12 ILE 4 HD12 ILE 4 -28.244 -15.808 16.484 35 HD13 ILE 4 HD13 ILE 4 -28.375 -17.520 16.953 36 H GLY 5 H GLY 5 -28.150 -14.792 20.738 37 HA2 GLY 5 HA2 GLY 5 -26.573 -13.352 21.466 38 HA3 GLY 5 HA3 GLY 5 -25.879 -14.630 22.444 39 H PHE 6 H PHE 6 -24.639 -16.411 21.147 40 HA PHE 6 HA PHE 6 -22.547 -15.187 19.808 41 HB2 PHE 6 HB2 PHE 6 -23.074 -17.609 20.954 42 HB3 PHE 6 HB3 PHE 6 -23.370 -18.067 19.289 43 HD1 PHE 6 HD2 PHE 6 -20.782 -16.033 21.071 44 HD2 PHE 6 HD1 PHE 6 -21.600 -19.153 18.315 45 HE1 PHE 6 HE2 PHE 6 -18.319 -16.374 20.727 46 HE2 PHE 6 HE1 PHE 6 -19.137 -19.495 17.970 47 HZ PHE 6 HZ PHE 6 -17.526 -18.101 19.180 48 H GLY 7 H GLY 7 -25.190 -17.299 18.461 49 HA2 GLY 7 HA2 GLY 7 -24.628 -17.359 15.849 50 HA3 GLY 7 HA3 GLY 7 -26.255 -17.143 16.463 51 H TYR 8 H TYR 8 -26.266 -14.572 17.517 52 HA TYR 8 HA TYR 8 -26.636 -12.995 15.289 53 HB2 TYR 8 HB2 TYR 8 -27.241 -12.854 17.902 54 HB3 TYR 8 HB3 TYR 8 -25.721 -11.992 18.036 55 HD1 TYR 8 HD1 TYR 8 -29.060 -11.905 16.390 56 HD2 TYR 8 HD2 TYR 8 -25.561 -9.691 17.471 57 HE1 TYR 8 HE1 TYR 8 -30.223 -9.738 15.747 58 HE2 TYR 8 HE2 TYR 8 -26.737 -7.532 16.824 59 HH TYR 8 HH TYR 8 -28.914 -7.152 14.977 60 H ALA 9 H ALA 9 -23.824 -13.034 17.591 61 HA ALA 9 HA ALA 9 -22.401 -11.061 16.167 62 HB1 ALA 9 HB1 ALA 9 -20.990 -11.235 17.930 63 HB2 ALA 9 HB2 ALA 9 -22.223 -12.317 18.622 64 HB3 ALA 9 HB3 ALA 9 -20.832 -12.998 17.746 65 H ALA 10 H ALA 10 -22.905 -14.521 15.750 66 HA ALA 10 HA ALA 10 -20.559 -15.075 14.302 67 HB1 ALA 10 HB1 ALA 10 -22.649 -16.510 15.360 68 HB2 ALA 10 HB2 ALA 10 -23.009 -16.590 13.619 69 HB3 ALA 10 HB3 ALA 10 -21.440 -17.166 14.231 70 H LEU 11 H LEU 11 -23.973 -14.645 13.111 71 HA LEU 11 HA LEU 11 -23.289 -14.473 10.440 72 HB2 LEU 11 HB2 LEU 11 -25.486 -13.756 10.074 73 HB3 LEU 11 HB3 LEU 11 -25.546 -14.846 11.445 74 HG LEU 11 HG LEU 11 -25.310 -12.462 12.736 75 HD11 LEU 11 HD11 LEU 11 -27.369 -11.495 10.958 76 HD12 LEU 11 HD12 LEU 11 -25.896 -10.685 11.543 77 HD13 LEU 11 HD13 LEU 11 -25.832 -11.702 10.084 78 HD21 LEU 11 HD21 LEU 11 -27.597 -12.704 13.328 79 HD22 LEU 11 HD22 LEU 11 -27.970 -13.570 11.818 80 HD23 LEU 11 HD23 LEU 11 -26.957 -14.343 13.060 81 H VAL 12 H VAL 12 -23.420 -11.958 13.004 82 HA VAL 12 HA VAL 12 -23.183 -9.725 11.418 83 HB VAL 12 HB VAL 12 -22.313 -10.456 14.192 84 HG11 VAL 12 HG11 VAL 12 -20.723 -8.870 14.144 85 HG12 VAL 12 HG12 VAL 12 -21.307 -8.201 12.601 86 HG13 VAL 12 HG13 VAL 12 -22.071 -7.708 14.131 87 HG21 VAL 12 HG21 VAL 12 -24.736 -9.954 13.425 88 HG22 VAL 12 HG22 VAL 12 -24.125 -9.153 14.893 89 HG23 VAL 12 HG23 VAL 12 -24.203 -8.257 13.357 90 H THR 13 H THR 13 -20.555 -11.793 12.832 91 HA THR 13 HA THR 13 -18.454 -10.353 11.657 92 HB THR 13 HB THR 13 -18.801 -13.188 12.742 93 HG1 THR 13 HG1 THR 13 -17.471 -12.042 14.413 94 HG21 THR 13 HG21 THR 13 -16.247 -11.736 11.867 95 HG22 THR 13 HG22 THR 13 -16.282 -13.211 12.863 96 HG23 THR 13 HG23 THR 13 -16.870 -13.257 11.183 97 H PHE 14 H PHE 14 -20.527 -13.002 10.444 98 HA PHE 14 HA PHE 14 -18.969 -13.666 8.241 99 HB2 PHE 14 HB2 PHE 14 -21.302 -14.499 9.427 100 HB3 PHE 14 HB3 PHE 14 -21.999 -13.571 8.114 101 HD1 PHE 14 HD1 PHE 14 -19.179 -16.007 8.475 102 HD2 PHE 14 HD2 PHE 14 -22.643 -14.843 6.317 103 HE1 PHE 14 HE1 PHE 14 -18.875 -17.963 6.932 104 HE2 PHE 14 HE2 PHE 14 -22.339 -16.799 4.774 105 HZ PHE 14 HZ PHE 14 -20.458 -18.335 5.099 106 H GLY 15 H GLY 15 -21.815 -11.410 8.480 107 HA2 GLY 15 HA2 GLY 15 -21.648 -10.525 5.805 108 HA3 GLY 15 HA3 GLY 15 -22.503 -9.751 7.124 109 H SER 16 H SER 16 -19.905 -9.668 8.777 110 HA SER 16 HA SER 16 -19.177 -7.096 8.000 111 HB2 SER 16 HB2 SER 16 -18.768 -8.806 10.222 112 HB3 SER 16 HB3 SER 16 -17.157 -8.423 9.647 113 HG SER 16 HG SER 16 -18.160 -6.084 9.575 114 H ILE 17 H ILE 17 -17.442 -10.286 7.816 115 HA ILE 17 HA ILE 17 -15.202 -9.226 6.481 116 HB ILE 17 HB ILE 17 -16.294 -12.015 6.809 117 HG12 ILE 17 HG12 ILE 17 -13.869 -10.713 8.071 118 HG13 ILE 17 HG13 ILE 17 -15.454 -10.726 8.819 119 HG21 ILE 17 HG21 ILE 17 -15.044 -12.522 5.007 120 HG22 ILE 17 HG22 ILE 17 -14.084 -11.027 5.112 121 HG23 ILE 17 HG23 ILE 17 -13.695 -12.410 6.163 122 HD11 ILE 17 HD11 ILE 17 -14.731 -13.404 7.875 123 HD12 ILE 17 HD12 ILE 17 -13.504 -12.751 8.988 124 HD13 ILE 17 HD13 ILE 17 -15.202 -12.872 9.508 125 H PHE 18 H PHE 18 -18.050 -11.146 5.294 126 HA PHE 18 HA PHE 18 -17.468 -11.230 2.665 127 HB2 PHE 18 HB2 PHE 18 -19.603 -11.791 4.306 128 HB3 PHE 18 HB3 PHE 18 -20.244 -10.361 3.521 129 HD1 PHE 18 HD1 PHE 18 -18.632 -13.617 2.671 130 HD2 PHE 18 HD2 PHE 18 -21.393 -10.605 1.529 131 HE1 PHE 18 HE1 PHE 18 -19.342 -15.012 0.709 132 HE2 PHE 18 HE2 PHE 18 -22.104 -12.000 -0.433 133 HZ PHE 18 HZ PHE 18 -21.070 -14.187 -0.819 134 H GLY 19 H GLY 19 -19.103 -8.494 4.401 135 HA2 GLY 19 HA2 GLY 19 -19.549 -6.868 2.184 136 HA3 GLY 19 HA3 GLY 19 -19.371 -6.335 3.844 137 H TYR 20 H TYR 20 -17.015 -6.241 4.704 138 HA TYR 20 HA TYR 20 -15.557 -4.412 3.391 139 HB2 TYR 20 HB2 TYR 20 -15.217 -6.538 5.435 140 HB3 TYR 20 HB3 TYR 20 -13.706 -6.244 4.598 141 HD1 TYR 20 HD1 TYR 20 -16.326 -4.689 6.706 142 HD2 TYR 20 HD2 TYR 20 -12.444 -4.230 4.966 143 HE1 TYR 20 HE1 TYR 20 -15.897 -2.662 8.180 144 HE2 TYR 20 HE2 TYR 20 -12.028 -2.205 6.446 145 HH TYR 20 HH TYR 20 -12.742 -1.075 8.188 146 H LYS 21 H LYS 21 -14.144 -4.268 1.688 147 HA LYS 21 HA LYS 21 -14.121 -6.214 -0.260 148 HB2 LYS 21 HB2 LYS 21 -13.388 -3.639 -0.156 149 HB3 LYS 21 HB3 LYS 21 -11.794 -4.357 -0.045 150 HG2 LYS 21 HG2 LYS 21 -11.930 -5.348 -2.169 151 HG3 LYS 21 HG3 LYS 21 -13.680 -5.444 -2.133 152 HD2 LYS 21 HD2 LYS 21 -13.221 -2.689 -2.004 153 HD3 LYS 21 HD3 LYS 21 -11.937 -3.239 -3.061 154 HE2 LYS 21 HE2 LYS 21 -13.509 -4.256 -4.603 155 HE3 LYS 21 HE3 LYS 21 -14.835 -4.094 -3.469 156 HZ1 LYS 21 HZ1 LYS 21 -13.385 -1.763 -4.494 157 HZ2 LYS 21 HZ2 LYS 21 -14.683 -2.386 -5.263 158 HZ3 LYS 21 HZ3 LYS 21 -14.838 -1.793 -3.749 159 H ARG 22 H ARG 22 -12.479 -7.704 -0.997 160 HA ARG 22 HA ARG 22 -11.315 -9.052 1.191 161 HB2 ARG 22 HB2 ARG 22 -10.630 -10.715 -0.476 162 HB3 ARG 22 HB3 ARG 22 -12.264 -10.201 -0.844 163 HG2 ARG 22 HG2 ARG 22 -11.221 -8.479 -2.463 164 HG3 ARG 22 HG3 ARG 22 -9.697 -9.312 -2.227 165 HD2 ARG 22 HD2 ARG 22 -10.299 -10.890 -3.743 166 HD3 ARG 22 HD3 ARG 22 -11.694 -11.319 -2.772 167 HE ARG 22 HE ARG 22 -12.368 -8.923 -4.119 168 HH11 ARG 22 HH22 ARG 22 -11.556 -12.243 -4.957 169 HH12 ARG 22 HH21 ARG 22 -12.487 -12.237 -6.417 170 HH21 ARG 22 HH12 ARG 22 -13.597 -8.915 -6.045 171 HH22 ARG 22 HH11 ARG 22 -13.656 -10.331 -7.040 172 H ARG 23 H ARG 23 -8.956 -9.628 1.335 173 HA ARG 23 HA ARG 23 -7.401 -7.334 1.080 174 HB2 ARG 23 HB2 ARG 23 -7.236 -9.715 2.499 175 HB3 ARG 23 HB3 ARG 23 -5.955 -9.932 1.324 176 HG2 ARG 23 HG2 ARG 23 -5.495 -7.325 2.105 177 HG3 ARG 23 HG3 ARG 23 -6.144 -7.999 3.587 178 HD2 ARG 23 HD2 ARG 23 -3.970 -9.475 2.058 179 HD3 ARG 23 HD3 ARG 23 -3.553 -8.163 3.142 180 HE ARG 23 HE ARG 23 -4.399 -10.822 3.916 181 HH11 ARG 23 HH22 ARG 23 -4.555 -7.449 4.906 182 HH12 ARG 23 HH21 ARG 23 -4.747 -7.819 6.587 183 HH21 ARG 23 HH12 ARG 23 -4.652 -11.310 6.134 184 HH22 ARG 23 HH11 ARG 23 -4.803 -10.030 7.291 185 H GLY 24 H GLY 24 -7.353 -10.540 -0.640 186 HA2 GLY 24 HA2 GLY 24 -6.967 -10.852 -2.894 187 HA3 GLY 24 HA3 GLY 24 -6.350 -9.219 -3.038 188 H GLY 25 H GLY 25 -4.494 -10.078 -4.228 189 HA2 GLY 25 HA2 GLY 25 -2.124 -10.107 -3.578 190 HA3 GLY 25 HA3 GLY 25 -2.523 -11.389 -2.451 191 H VAL 26 H VAL 26 -4.042 -13.202 -3.721 192 HA VAL 26 HA VAL 26 -2.311 -14.615 -5.294 193 HB VAL 26 HB VAL 26 -5.134 -14.697 -4.544 194 HG11 VAL 26 HG11 VAL 26 -5.748 -14.827 -6.793 195 HG12 VAL 26 HG12 VAL 26 -4.274 -15.714 -7.250 196 HG13 VAL 26 HG13 VAL 26 -5.558 -16.535 -6.331 197 HG21 VAL 26 HG21 VAL 26 -2.775 -16.192 -4.156 198 HG22 VAL 26 HG22 VAL 26 -4.396 -16.528 -3.504 199 HG23 VAL 26 HG23 VAL 26 -3.889 -17.258 -5.046 200 HA PRO 27 HA PRO 27 -4.388 -12.680 -9.077 201 HB2 PRO 27 HB2 PRO 27 -6.087 -10.561 -8.779 202 HB3 PRO 27 HB3 PRO 27 -6.638 -12.218 -8.920 203 HG2 PRO 27 HG2 PRO 27 -6.505 -10.507 -6.513 204 HG3 PRO 27 HG3 PRO 27 -7.424 -11.978 -6.765 205 HD2 PRO 27 HD2 PRO 27 -4.993 -11.710 -5.268 206 HD3 PRO 27 HD3 PRO 27 -5.849 -13.198 -5.618 207 H SER 28 H SER 28 -4.301 -10.492 -10.404 208 HA SER 28 HA SER 28 -2.096 -9.058 -9.141 209 HB2 SER 28 HB2 SER 28 -0.927 -9.865 -10.926 210 HB3 SER 28 HB3 SER 28 -2.378 -10.276 -11.818 211 HG SER 28 HG SER 28 -1.445 -8.628 -12.994 212 H LEU 29 H LEU 29 -4.693 -8.807 -11.681 213 HA LEU 29 HA LEU 29 -4.723 -6.107 -12.001 214 HB2 LEU 29 HB2 LEU 29 -7.220 -6.472 -12.443 215 HB3 LEU 29 HB3 LEU 29 -6.044 -7.291 -13.452 216 HG LEU 29 HG LEU 29 -6.782 -8.947 -11.181 217 HD11 LEU 29 HD11 LEU 29 -8.885 -7.722 -11.239 218 HD12 LEU 29 HD12 LEU 29 -9.045 -8.043 -12.983 219 HD13 LEU 29 HD13 LEU 29 -9.110 -9.390 -11.821 220 HD21 LEU 29 HD21 LEU 29 -6.541 -9.155 -14.141 221 HD22 LEU 29 HD22 LEU 29 -5.857 -10.175 -12.852 222 HD23 LEU 29 HD23 LEU 29 -7.568 -10.351 -13.313 223 H ILE 30 H ILE 30 -6.524 -8.029 -9.506 224 HA ILE 30 HA ILE 30 -7.741 -5.865 -8.283 225 HB ILE 30 HB ILE 30 -6.949 -8.615 -7.388 226 HG12 ILE 30 HG12 ILE 30 -9.652 -8.387 -7.131 227 HG13 ILE 30 HG13 ILE 30 -9.364 -7.267 -8.448 228 HG21 ILE 30 HG21 ILE 30 -6.764 -7.581 -5.324 229 HG22 ILE 30 HG22 ILE 30 -8.021 -6.376 -5.693 230 HG23 ILE 30 HG23 ILE 30 -8.477 -8.064 -5.361 231 HD11 ILE 30 HD11 ILE 30 -7.736 -9.477 -9.080 232 HD12 ILE 30 HD12 ILE 30 -9.238 -10.193 -8.446 233 HD13 ILE 30 HD13 ILE 30 -9.301 -9.068 -9.824 234 H ALA 31 H ALA 31 -4.448 -7.237 -7.938 235 HA ALA 31 HA ALA 31 -3.760 -5.756 -5.650 236 HB1 ALA 31 HB1 ALA 31 -2.662 -7.812 -7.034 237 HB2 ALA 31 HB2 ALA 31 -1.663 -6.472 -7.648 238 HB3 ALA 31 HB3 ALA 31 -1.738 -6.799 -5.899 239 H GLY 32 H GLY 32 -3.878 -5.037 -9.134 240 HA2 GLY 32 HA2 GLY 32 -2.238 -2.725 -9.070 241 HA3 GLY 32 HA3 GLY 32 -3.390 -3.178 -10.310 242 H LEU 33 H LEU 33 -5.855 -3.149 -9.204 243 HA LEU 33 HA LEU 33 -6.474 -0.470 -9.012 244 HB2 LEU 33 HB2 LEU 33 -8.181 -1.872 -9.672 245 HB3 LEU 33 HB3 LEU 33 -7.892 -3.025 -8.384 246 HG LEU 33 HG LEU 33 -8.656 -0.548 -7.178 247 HD11 LEU 33 HD11 LEU 33 -10.786 -1.451 -9.105 248 HD12 LEU 33 HD12 LEU 33 -10.680 0.053 -8.159 249 HD13 LEU 33 HD13 LEU 33 -9.603 -0.199 -9.553 250 HD21 LEU 33 HD21 LEU 33 -10.257 -1.854 -6.077 251 HD22 LEU 33 HD22 LEU 33 -10.388 -3.004 -7.430 252 HD23 LEU 33 HD23 LEU 33 -8.923 -2.982 -6.419 253 H PHE 34 H PHE 34 -5.788 -2.898 -6.444 254 HA PHE 34 HA PHE 34 -6.523 -1.342 -4.278 255 HB2 PHE 34 HB2 PHE 34 -5.551 -3.862 -4.745 256 HB3 PHE 34 HB3 PHE 34 -4.053 -3.107 -4.235 257 HD1 PHE 34 HD1 PHE 34 -7.617 -3.238 -3.104 258 HD2 PHE 34 HD2 PHE 34 -3.517 -3.306 -2.010 259 HE1 PHE 34 HE1 PHE 34 -8.263 -3.577 -0.702 260 HE2 PHE 34 HE2 PHE 34 -4.164 -3.646 0.392 261 HZ PHE 34 HZ PHE 34 -6.529 -3.777 1.017 262 H VAL 35 H VAL 35 -3.195 -1.832 -5.674 263 HA VAL 35 HA VAL 35 -1.861 -0.087 -4.051 264 HB VAL 35 HB VAL 35 -1.488 -0.899 -6.928 265 HG11 VAL 35 HG11 VAL 35 -0.146 0.890 -7.175 266 HG12 VAL 35 HG12 VAL 35 -0.096 1.218 -5.426 267 HG13 VAL 35 HG13 VAL 35 0.986 -0.006 -6.134 268 HG21 VAL 35 HG21 VAL 35 -0.747 -1.967 -4.301 269 HG22 VAL 35 HG22 VAL 35 -0.803 -2.766 -5.890 270 HG23 VAL 35 HG23 VAL 35 0.635 -1.831 -5.415 271 H GLY 36 H GLY 36 -3.906 0.582 -6.920 272 HA2 GLY 36 HA2 GLY 36 -3.204 3.336 -7.114 273 HA3 GLY 36 HA3 GLY 36 -4.561 2.523 -7.866 274 H CYS 37 H CYS 37 -5.686 1.435 -5.342 275 HA CYS 37 HA CYS 37 -7.355 3.559 -4.705 276 HB2 CYS 37 HB2 CYS 37 -6.997 0.775 -3.852 277 HB3 CYS 37 HB3 CYS 37 -7.564 1.811 -2.557 278 HG CYS 37 HG CYS 37 -9.827 1.758 -3.228 279 H LEU 38 H LEU 38 -4.394 2.188 -3.166 280 HA LEU 38 HA LEU 38 -4.536 3.883 -0.894 281 HB2 LEU 38 HB2 LEU 38 -1.948 2.726 -1.757 282 HB3 LEU 38 HB3 LEU 38 -2.688 2.790 -0.170 283 HG LEU 38 HG LEU 38 -3.201 0.828 -2.402 284 HD11 LEU 38 HD11 LEU 38 -1.550 0.798 -0.143 285 HD12 LEU 38 HD12 LEU 38 -2.935 -0.240 0.276 286 HD13 LEU 38 HD13 LEU 38 -1.982 -0.577 -1.189 287 HD21 LEU 38 HD21 LEU 38 -5.353 0.704 -1.868 288 HD22 LEU 38 HD22 LEU 38 -4.858 0.100 -0.268 289 HD23 LEU 38 HD23 LEU 38 -5.148 1.839 -0.513 290 H ALA 39 H ALA 39 -2.900 3.998 -4.096 291 HA ALA 39 HA ALA 39 -1.247 6.149 -3.648 292 HB1 ALA 39 HB1 ALA 39 -1.063 6.242 -5.988 293 HB2 ALA 39 HB2 ALA 39 -1.564 4.559 -5.694 294 HB3 ALA 39 HB3 ALA 39 -2.759 5.761 -6.238 295 H GLY 40 H GLY 40 -4.741 6.063 -4.571 296 HA2 GLY 40 HA2 GLY 40 -4.929 8.937 -4.660 297 HA3 GLY 40 HA3 GLY 40 -6.225 7.768 -4.823 298 H TYR 41 H TYR 41 -6.723 6.466 -2.684 299 HA TYR 41 HA TYR 41 -7.840 8.023 -0.844 300 HB2 TYR 41 HB2 TYR 41 -7.785 5.465 -1.057 301 HB3 TYR 41 HB3 TYR 41 -6.177 5.472 -0.361 302 HD1 TYR 41 HD1 TYR 41 -9.764 5.946 0.334 303 HD2 TYR 41 HD2 TYR 41 -5.836 5.819 2.024 304 HE1 TYR 41 HE1 TYR 41 -10.765 5.784 2.666 305 HE2 TYR 41 HE2 TYR 41 -6.849 5.658 4.350 306 HH TYR 41 HH TYR 41 -9.954 6.428 5.019 307 H GLY 42 H GLY 42 -4.354 7.319 -1.102 308 HA2 GLY 42 HA2 GLY 42 -3.770 8.500 1.483 309 HA3 GLY 42 HA3 GLY 42 -2.636 7.839 0.322 310 H ALA 43 H ALA 43 -2.891 9.184 -1.987 311 HA ALA 43 HA ALA 43 -1.568 11.492 -1.717 312 HB1 ALA 43 HB1 ALA 43 -2.683 12.121 -3.943 313 HB2 ALA 43 HB2 ALA 43 -1.872 10.538 -3.877 314 HB3 ALA 43 HB3 ALA 43 -3.645 10.636 -3.757 315 H TYR 44 H TYR 44 -5.015 10.936 -1.094 316 HA TYR 44 HA TYR 44 -6.218 13.286 -1.295 317 HB2 TYR 44 HB2 TYR 44 -6.231 10.926 0.438 318 HB3 TYR 44 HB3 TYR 44 -6.580 12.325 1.433 319 HD1 TYR 44 HD1 TYR 44 -7.665 10.625 -1.718 320 HD2 TYR 44 HD2 TYR 44 -8.759 13.192 1.526 321 HE1 TYR 44 HE1 TYR 44 -10.089 10.574 -2.485 322 HE2 TYR 44 HE2 TYR 44 -11.178 13.132 0.748 323 HH TYR 44 HH TYR 44 -12.098 12.250 -2.209 324 H ARG 45 H ARG 45 -4.086 12.423 1.523 325 HA ARG 45 HA ARG 45 -3.636 15.279 1.798 326 HB2 ARG 45 HB2 ARG 45 -4.957 13.528 3.695 327 HB3 ARG 45 HB3 ARG 45 -3.437 14.045 4.398 328 HG2 ARG 45 HG2 ARG 45 -4.861 15.792 5.047 329 HG3 ARG 45 HG3 ARG 45 -4.150 16.453 3.588 330 HD2 ARG 45 HD2 ARG 45 -6.111 15.863 2.263 331 HD3 ARG 45 HD3 ARG 45 -6.784 14.909 3.570 332 HE ARG 45 HE ARG 45 -6.828 17.839 3.335 333 HH11 ARG 45 HH22 ARG 45 -7.169 15.092 5.508 334 HH12 ARG 45 HH21 ARG 45 -8.096 15.969 6.678 335 HH21 ARG 45 HH12 ARG 45 -8.051 18.998 4.879 336 HH22 ARG 45 HH11 ARG 45 -8.601 18.206 6.318 337 H VAL 46 H VAL 46 -2.307 12.454 0.919 338 HA VAL 46 HA VAL 46 -0.168 11.917 2.539 339 HB VAL 46 HB VAL 46 -1.133 11.030 0.163 340 HG11 VAL 46 HG11 VAL 46 1.577 12.233 -0.489 341 HG12 VAL 46 HG12 VAL 46 0.538 11.269 -1.566 342 HG13 VAL 46 HG13 VAL 46 0.018 12.889 -1.044 343 HG21 VAL 46 HG21 VAL 46 1.548 10.039 0.415 344 HG22 VAL 46 HG22 VAL 46 0.874 10.299 2.042 345 HG23 VAL 46 HG23 VAL 46 0.017 9.260 0.879 346 H SER 47 H SER 47 -0.832 14.764 0.621 347 HA SER 47 HA SER 47 1.495 15.717 -0.153 348 HB2 SER 47 HB2 SER 47 -0.594 16.990 -0.310 349 HB3 SER 47 HB3 SER 47 -0.639 17.214 1.428 350 HG SER 47 HG SER 47 1.039 18.459 -0.520 351 H ASN 48 H ASN 48 3.406 16.610 0.723 352 HA ASN 48 HA ASN 48 3.738 17.555 3.231 353 HB2 ASN 48 HB2 ASN 48 3.386 14.735 3.370 354 HB3 ASN 48 HB3 ASN 48 5.116 14.970 3.525 355 HD21 ASN 48 HD21 ASN 48 3.111 14.097 5.469 356 HD22 ASN 48 HD22 ASN 48 3.214 15.165 6.828 357 H ASP 49 H ASP 49 5.365 14.971 1.222 358 HA ASP 49 HA ASP 49 7.744 16.618 1.205 359 HB2 ASP 49 HB2 ASP 49 7.743 14.099 1.759 360 HB3 ASP 49 HB3 ASP 49 7.369 13.811 0.072 361 H LYS 50 H LYS 50 4.930 15.953 -0.623 362 HA LYS 50 HA LYS 50 4.278 16.564 -2.647 363 HB2 LYS 50 HB2 LYS 50 6.379 18.328 -2.129 364 HB3 LYS 50 HB3 LYS 50 6.746 17.692 -3.720 365 HG2 LYS 50 HG2 LYS 50 5.223 19.165 -4.540 366 HG3 LYS 50 HG3 LYS 50 3.983 18.137 -3.851 367 HD2 LYS 50 HD2 LYS 50 4.118 19.424 -1.703 368 HD3 LYS 50 HD3 LYS 50 5.347 20.458 -2.404 369 HE2 LYS 50 HE2 LYS 50 2.743 20.151 -3.900 370 HE3 LYS 50 HE3 LYS 50 2.742 21.134 -2.449 371 HZ1 LYS 50 HZ1 LYS 50 4.572 21.497 -4.720 372 HZ2 LYS 50 HZ2 LYS 50 3.257 22.414 -4.411 373 HZ3 LYS 50 HZ3 LYS 50 4.523 22.431 -3.381 374 H ARG 51 H ARG 51 5.072 13.944 -2.157 375 HA ARG 51 HA ARG 51 6.959 13.054 -4.000 376 HB2 ARG 51 HB2 ARG 51 5.831 10.781 -3.566 377 HB3 ARG 51 HB3 ARG 51 6.421 11.617 -2.144 378 HG2 ARG 51 HG2 ARG 51 3.759 12.570 -2.576 379 HG3 ARG 51 HG3 ARG 51 3.696 10.833 -2.799 380 HD2 ARG 51 HD2 ARG 51 4.693 12.348 -0.347 381 HD3 ARG 51 HD3 ARG 51 3.324 11.259 -0.441 382 HE ARG 51 HE ARG 51 5.879 10.012 -1.180 383 HH11 ARG 51 HH22 ARG 51 3.663 10.749 1.452 384 HH12 ARG 51 HH21 ARG 51 4.260 9.488 2.478 385 HH21 ARG 51 HH12 ARG 51 6.668 8.348 0.174 386 HH22 ARG 51 HH11 ARG 51 5.981 8.113 1.747 387 H ASP 52 H ASP 52 5.964 11.045 -5.556 388 HA ASP 52 HA ASP 52 3.607 11.980 -6.892 389 HB2 ASP 52 HB2 ASP 52 5.157 11.600 -9.110 390 HB3 ASP 52 HB3 ASP 52 4.849 13.173 -8.403 391 H VAL 53 H VAL 53 6.388 10.061 -8.188 392 HA VAL 53 HA VAL 53 4.633 7.748 -8.362 393 HB VAL 53 HB VAL 53 7.406 8.219 -9.472 394 HG11 VAL 53 HG11 VAL 53 6.890 5.856 -9.302 395 HG12 VAL 53 HG12 VAL 53 5.311 6.108 -10.083 396 HG13 VAL 53 HG13 VAL 53 6.811 6.356 -11.008 397 HG21 VAL 53 HG21 VAL 53 4.789 8.408 -10.986 398 HG22 VAL 53 HG22 VAL 53 5.603 9.822 -10.274 399 HG23 VAL 53 HG23 VAL 53 6.419 8.867 -11.535 400 H LYS 54 H LYS 54 6.893 9.128 -6.220 401 HA LYS 54 HA LYS 54 8.425 6.979 -5.422 402 HB2 LYS 54 HB2 LYS 54 7.622 9.589 -4.347 403 HB3 LYS 54 HB3 LYS 54 7.934 8.401 -3.097 404 HG2 LYS 54 HG2 LYS 54 10.166 7.953 -3.958 405 HG3 LYS 54 HG3 LYS 54 9.856 8.870 -5.418 406 HD2 LYS 54 HD2 LYS 54 10.220 10.898 -4.390 407 HD3 LYS 54 HD3 LYS 54 9.431 10.407 -2.904 408 HE2 LYS 54 HE2 LYS 54 11.397 9.746 -1.937 409 HE3 LYS 54 HE3 LYS 54 11.939 8.919 -3.384 410 HZ1 LYS 54 HZ1 LYS 54 12.710 11.412 -2.460 411 HZ2 LYS 54 HZ2 LYS 54 13.236 10.629 -3.793 412 HZ3 LYS 54 HZ3 LYS 54 11.960 11.644 -3.892 413 H VAL 55 H VAL 55 5.060 7.905 -4.531 414 HA VAL 55 HA VAL 55 4.789 5.872 -2.588 415 HB VAL 55 HB VAL 55 3.455 7.925 -2.661 416 HG11 VAL 55 HG11 VAL 55 3.263 7.749 -5.273 417 HG12 VAL 55 HG12 VAL 55 1.796 6.808 -4.906 418 HG13 VAL 55 HG13 VAL 55 1.946 8.485 -4.327 419 HG21 VAL 55 HG21 VAL 55 1.470 6.975 -1.872 420 HG22 VAL 55 HG22 VAL 55 1.535 5.628 -3.033 421 HG23 VAL 55 HG23 VAL 55 2.662 5.671 -1.656 422 H SER 56 H SER 56 4.190 6.109 -6.120 423 HA SER 56 HA SER 56 2.720 3.839 -6.439 424 HB2 SER 56 HB2 SER 56 3.649 5.709 -8.122 425 HB3 SER 56 HB3 SER 56 4.867 4.493 -8.452 426 HG SER 56 HG SER 56 3.376 3.149 -9.342 427 H LEU 57 H LEU 57 6.323 4.149 -6.919 428 HA LEU 57 HA LEU 57 6.741 1.386 -7.069 429 HB2 LEU 57 HB2 LEU 57 8.265 3.008 -8.005 430 HB3 LEU 57 HB3 LEU 57 8.602 3.673 -6.418 431 HG LEU 57 HG LEU 57 9.359 1.158 -5.928 432 HD11 LEU 57 HD11 LEU 57 9.110 1.296 -8.848 433 HD12 LEU 57 HD12 LEU 57 10.708 0.753 -8.284 434 HD13 LEU 57 HD13 LEU 57 9.241 -0.111 -7.765 435 HD21 LEU 57 HD21 LEU 57 11.685 1.861 -6.567 436 HD22 LEU 57 HD22 LEU 57 10.974 3.322 -7.294 437 HD23 LEU 57 HD23 LEU 57 10.797 3.020 -5.549 438 H PHE 58 H PHE 58 7.628 3.663 -4.372 439 HA PHE 58 HA PHE 58 8.404 1.966 -2.499 440 HB2 PHE 58 HB2 PHE 58 8.064 4.456 -2.282 441 HB3 PHE 58 HB3 PHE 58 6.327 4.225 -2.264 442 HD1 PHE 58 HD2 PHE 58 9.429 3.659 -0.346 443 HD2 PHE 58 HD1 PHE 58 5.186 3.639 -0.261 444 HE1 PHE 58 HE2 PHE 58 9.480 3.467 2.156 445 HE2 PHE 58 HE1 PHE 58 5.237 3.447 2.241 446 HZ PHE 58 HZ PHE 58 7.384 3.363 3.420 447 H THR 59 H THR 59 4.972 2.501 -3.472 448 HA THR 59 HA THR 59 3.904 0.833 -1.439 449 HB THR 59 HB THR 59 2.859 1.939 -4.094 450 HG1 THR 59 HG1 THR 59 1.957 3.447 -2.565 451 HG21 THR 59 HG21 THR 59 0.593 1.460 -3.146 452 HG22 THR 59 HG22 THR 59 1.492 -0.049 -3.435 453 HG23 THR 59 HG23 THR 59 1.353 0.601 -1.784 454 H ALA 60 H ALA 60 4.361 0.290 -5.001 455 HA ALA 60 HA ALA 60 3.538 -2.291 -5.110 456 HB1 ALA 60 HB1 ALA 60 5.703 -0.746 -6.551 457 HB2 ALA 60 HB2 ALA 60 5.367 -2.446 -6.955 458 HB3 ALA 60 HB3 ALA 60 4.089 -1.220 -7.133 459 H PHE 61 H PHE 61 6.695 -1.007 -3.953 460 HA PHE 61 HA PHE 61 7.857 -3.567 -3.644 461 HB2 PHE 61 HB2 PHE 61 8.561 -0.824 -3.532 462 HB3 PHE 61 HB3 PHE 61 8.739 -1.338 -1.866 463 HD1 PHE 61 HD1 PHE 61 9.970 -3.791 -1.735 464 HD2 PHE 61 HD2 PHE 61 10.492 -0.872 -4.770 465 HE1 PHE 61 HE1 PHE 61 12.225 -4.753 -2.272 466 HE2 PHE 61 HE2 PHE 61 12.748 -1.834 -5.307 467 HZ PHE 61 HZ PHE 61 13.587 -3.763 -4.051 468 H PHE 62 H PHE 62 5.988 -1.347 -1.524 469 HA PHE 62 HA PHE 62 6.514 -2.708 0.867 470 HB2 PHE 62 HB2 PHE 62 5.258 -0.389 0.021 471 HB3 PHE 62 HB3 PHE 62 3.849 -1.383 0.336 472 HD1 PHE 62 HD2 PHE 62 3.795 -2.557 2.679 473 HD2 PHE 62 HD1 PHE 62 6.203 0.815 1.761 474 HE1 PHE 62 HE2 PHE 62 3.949 -2.002 5.122 475 HE2 PHE 62 HE1 PHE 62 6.357 1.370 4.204 476 HZ PHE 62 HZ PHE 62 5.228 -0.045 5.856 477 H LEU 63 H LEU 63 3.547 -2.744 -1.246 478 HA LEU 63 HA LEU 63 2.315 -4.816 0.161 479 HB2 LEU 63 HB2 LEU 63 1.782 -3.138 -2.059 480 HB3 LEU 63 HB3 LEU 63 1.532 -4.788 -2.595 481 HG LEU 63 HG LEU 63 0.125 -5.005 -0.385 482 HD11 LEU 63 HD11 LEU 63 0.054 -3.145 0.840 483 HD12 LEU 63 HD12 LEU 63 0.731 -2.152 -0.473 484 HD13 LEU 63 HD13 LEU 63 -1.018 -2.482 -0.418 485 HD21 LEU 63 HD21 LEU 63 -0.571 -5.012 -2.886 486 HD22 LEU 63 HD22 LEU 63 -1.808 -4.740 -1.635 487 HD23 LEU 63 HD23 LEU 63 -1.155 -3.363 -2.554 488 H ALA 64 H ALA 64 4.699 -4.767 -2.501 489 HA ALA 64 HA ALA 64 4.451 -7.414 -3.300 490 HB1 ALA 64 HB1 ALA 64 5.710 -5.968 -4.671 491 HB2 ALA 64 HB2 ALA 64 6.692 -5.379 -3.308 492 HB3 ALA 64 HB3 ALA 64 6.939 -7.025 -3.937 493 H THR 65 H THR 65 6.632 -5.905 -0.817 494 HA THR 65 HA THR 65 7.720 -8.388 -0.003 495 HB THR 65 HB THR 65 8.789 -6.114 0.262 496 HG1 THR 65 HG1 THR 65 9.727 -7.320 1.861 497 HG21 THR 65 HG21 THR 65 7.138 -4.597 1.040 498 HG22 THR 65 HG22 THR 65 6.435 -5.793 2.155 499 HG23 THR 65 HG23 THR 65 7.990 -5.020 2.545 500 H ILE 66 H ILE 66 4.741 -6.666 0.761 501 HA ILE 66 HA ILE 66 4.278 -7.953 3.229 502 HB ILE 66 HB ILE 66 2.553 -6.481 1.255 503 HG12 ILE 66 HG12 ILE 66 4.332 -5.402 2.837 504 HG13 ILE 66 HG13 ILE 66 2.754 -4.664 2.646 505 HG21 ILE 66 HG21 ILE 66 0.908 -6.532 3.313 506 HG22 ILE 66 HG22 ILE 66 0.900 -7.827 2.091 507 HG23 ILE 66 HG23 ILE 66 1.728 -8.076 3.647 508 HD11 ILE 66 HD11 ILE 66 3.664 -4.982 5.065 509 HD12 ILE 66 HD12 ILE 66 1.979 -5.459 4.748 510 HD13 ILE 66 HD13 ILE 66 3.252 -6.700 4.844 511 H MET 67 H MET 67 2.660 -8.458 0.010 512 HA MET 67 HA MET 67 1.561 -10.886 0.811 513 HB2 MET 67 HB2 MET 67 1.894 -9.293 -1.707 514 HB3 MET 67 HB3 MET 67 1.666 -11.011 -1.966 515 HG2 MET 67 HG2 MET 67 -0.537 -10.926 -1.354 516 HG3 MET 67 HG3 MET 67 -0.199 -9.948 0.060 517 HE1 MET 67 HE1 MET 67 -1.187 -6.539 -0.808 518 HE2 MET 67 HE2 MET 67 -1.947 -7.935 -0.006 519 HE3 MET 67 HE3 MET 67 -0.222 -7.587 0.259 520 H GLY 68 H GLY 68 4.273 -10.215 -1.528 521 HA2 GLY 68 HA2 GLY 68 6.292 -11.639 -0.879 522 HA3 GLY 68 HA3 GLY 68 5.194 -12.985 -1.109 523 H VAL 69 H VAL 69 5.472 -9.878 -2.960 524 HA VAL 69 HA VAL 69 5.302 -11.280 -5.425 525 HB VAL 69 HB VAL 69 5.642 -8.447 -4.527 526 HG11 VAL 69 HG11 VAL 69 5.449 -8.182 -7.253 527 HG12 VAL 69 HG12 VAL 69 6.945 -7.994 -6.307 528 HG13 VAL 69 HG13 VAL 69 6.580 -9.548 -7.095 529 HG21 VAL 69 HG21 VAL 69 3.667 -8.612 -6.473 530 HG22 VAL 69 HG22 VAL 69 3.531 -10.161 -5.607 531 HG23 VAL 69 HG23 VAL 69 3.416 -8.628 -4.711 532 H ARG 70 H ARG 70 7.912 -10.000 -3.360 533 HA ARG 70 HA ARG 70 9.919 -9.909 -5.186 534 HB2 ARG 70 HB2 ARG 70 9.727 -9.554 -2.473 535 HB3 ARG 70 HB3 ARG 70 10.602 -11.072 -2.504 536 HG2 ARG 70 HG2 ARG 70 11.936 -9.584 -4.451 537 HG3 ARG 70 HG3 ARG 70 11.513 -8.357 -3.272 538 HD2 ARG 70 HD2 ARG 70 13.208 -9.058 -1.936 539 HD3 ARG 70 HD3 ARG 70 12.440 -10.626 -1.782 540 HE ARG 70 HE ARG 70 13.889 -10.315 -4.306 541 HH11 ARG 70 HH22 ARG 70 14.189 -11.197 -0.913 542 HH12 ARG 70 HH21 ARG 70 15.606 -12.163 -1.157 543 HH21 ARG 70 HH12 ARG 70 15.758 -11.589 -4.629 544 HH22 ARG 70 HH11 ARG 70 16.505 -12.387 -3.285 545 H PHE 71 H PHE 71 11.872 -11.507 -5.304 546 HA PHE 71 HA PHE 71 11.268 -13.773 -6.540 547 HB2 PHE 71 HB2 PHE 71 13.555 -12.749 -6.097 548 HB3 PHE 71 HB3 PHE 71 13.479 -13.325 -4.443 549 HD1 PHE 71 HD1 PHE 71 13.147 -15.923 -4.178 550 HD2 PHE 71 HD2 PHE 71 14.627 -14.047 -7.685 551 HE1 PHE 71 HE1 PHE 71 14.218 -18.082 -4.880 552 HE2 PHE 71 HE2 PHE 71 15.698 -16.206 -8.387 553 HZ PHE 71 HZ PHE 71 15.481 -18.197 -6.977 554 H LYS 72 H LYS 72 10.027 -15.517 -6.062 555 HA LYS 72 HA LYS 72 10.510 -17.030 -3.728 556 HB2 LYS 72 HB2 LYS 72 8.645 -14.895 -3.416 557 HB3 LYS 72 HB3 LYS 72 7.733 -16.390 -3.427 558 HG2 LYS 72 HG2 LYS 72 9.825 -17.145 -1.831 559 HG3 LYS 72 HG3 LYS 72 9.788 -15.431 -1.470 560 HD2 LYS 72 HD2 LYS 72 7.682 -15.532 -0.476 561 HD3 LYS 72 HD3 LYS 72 7.144 -16.858 -1.487 562 HE2 LYS 72 HE2 LYS 72 9.117 -18.152 -0.135 563 HE3 LYS 72 HE3 LYS 72 8.730 -16.935 1.065 564 HZ1 LYS 72 HZ1 LYS 72 6.696 -18.619 -0.217 565 HZ2 LYS 72 HZ2 LYS 72 7.408 -18.994 1.204 566 HZ3 LYS 72 HZ3 LYS 72 6.496 -17.645 1.079 567 H ARG 73 H ARG 73 8.357 -18.661 -3.588 568 HA ARG 73 HA ARG 73 8.477 -19.881 -6.144 569 HB2 ARG 73 HB2 ARG 73 7.139 -20.604 -3.502 570 HB3 ARG 73 HB3 ARG 73 6.890 -21.578 -4.937 571 HG2 ARG 73 HG2 ARG 73 9.708 -21.130 -4.770 572 HG3 ARG 73 HG3 ARG 73 9.185 -21.520 -3.143 573 HD2 ARG 73 HD2 ARG 73 9.162 -23.710 -3.749 574 HD3 ARG 73 HD3 ARG 73 7.787 -23.359 -4.777 575 HE ARG 73 HE ARG 73 10.322 -22.661 -6.046 576 HH11 ARG 73 HH22 ARG 73 8.089 -25.302 -5.400 577 HH12 ARG 73 HH21 ARG 73 8.612 -26.246 -6.755 578 HH21 ARG 73 HH12 ARG 73 11.013 -23.905 -7.833 579 HH22 ARG 73 HH11 ARG 73 10.287 -25.446 -8.149 580 H SER 74 H SER 74 7.020 -19.551 -7.799 581 HA SER 74 HA SER 74 4.316 -19.537 -7.489 582 HB2 SER 74 HB2 SER 74 5.219 -17.141 -6.482 583 HB3 SER 74 HB3 SER 74 4.937 -16.698 -8.154 584 HG SER 74 HG SER 74 2.748 -17.711 -7.878 585 H LYS 75 H LYS 75 3.186 -18.928 -9.598 586 HA LYS 75 HA LYS 75 5.118 -19.156 -11.794 587 HB2 LYS 75 HB2 LYS 75 2.658 -20.558 -11.143 588 HB3 LYS 75 HB3 LYS 75 2.559 -19.828 -12.733 589 HG2 LYS 75 HG2 LYS 75 4.644 -20.918 -13.434 590 HG3 LYS 75 HG3 LYS 75 4.935 -21.510 -11.810 591 HD2 LYS 75 HD2 LYS 75 3.687 -23.355 -12.224 592 HD3 LYS 75 HD3 LYS 75 2.290 -22.361 -12.585 593 HE2 LYS 75 HE2 LYS 75 3.390 -22.004 -14.934 594 HE3 LYS 75 HE3 LYS 75 4.425 -23.353 -14.512 595 HZ1 LYS 75 HZ1 LYS 75 1.508 -23.535 -14.316 596 HZ2 LYS 75 HZ2 LYS 75 2.306 -23.885 -15.698 597 HZ3 LYS 75 HZ3 LYS 75 2.592 -24.756 -14.346 598 H LYS 76 H LYS 76 4.917 -16.626 -10.775 599 HA LYS 76 HA LYS 76 4.382 -14.533 -11.247 600 HB2 LYS 76 HB2 LYS 76 4.832 -15.887 -13.748 601 HB3 LYS 76 HB3 LYS 76 3.626 -14.637 -13.983 602 HG2 LYS 76 HG2 LYS 76 5.403 -13.265 -12.417 603 HG3 LYS 76 HG3 LYS 76 6.507 -14.377 -13.202 604 HD2 LYS 76 HD2 LYS 76 4.515 -13.103 -15.023 605 HD3 LYS 76 HD3 LYS 76 5.659 -11.991 -14.297 606 HE2 LYS 76 HE2 LYS 76 6.708 -14.566 -15.488 607 HE3 LYS 76 HE3 LYS 76 6.242 -13.270 -16.573 608 HZ1 LYS 76 HZ1 LYS 76 8.005 -12.094 -15.979 609 HZ2 LYS 76 HZ2 LYS 76 7.818 -12.374 -14.381 610 HZ3 LYS 76 HZ3 LYS 76 8.599 -13.463 -15.314 611 H ILE 77 H ILE 77 2.423 -15.482 -9.801 612 HA ILE 77 HA ILE 77 -0.014 -14.741 -11.267 613 HB ILE 77 HB ILE 77 0.459 -16.868 -9.195 614 HG12 ILE 77 HG12 ILE 77 -1.248 -17.420 -11.516 615 HG13 ILE 77 HG13 ILE 77 0.379 -16.945 -11.962 616 HG21 ILE 77 HG21 ILE 77 -1.452 -15.619 -8.401 617 HG22 ILE 77 HG22 ILE 77 -2.196 -15.662 -10.017 618 HG23 ILE 77 HG23 ILE 77 -1.994 -17.168 -9.090 619 HD11 ILE 77 HD11 ILE 77 -0.069 -19.468 -11.499 620 HD12 ILE 77 HD12 ILE 77 1.375 -18.737 -10.759 621 HD13 ILE 77 HD13 ILE 77 -0.087 -19.006 -9.780 622 H MET 78 H MET 78 1.047 -15.155 -7.815 623 HA MET 78 HA MET 78 -0.558 -13.248 -6.780 624 HB2 MET 78 HB2 MET 78 1.788 -14.772 -6.004 625 HB3 MET 78 HB3 MET 78 2.013 -13.130 -5.434 626 HG2 MET 78 HG2 MET 78 0.710 -13.734 -3.659 627 HG3 MET 78 HG3 MET 78 -0.647 -13.601 -4.760 628 HE1 MET 78 HE1 MET 78 -0.651 -15.049 -2.300 629 HE2 MET 78 HE2 MET 78 -0.976 -16.791 -2.465 630 HE3 MET 78 HE3 MET 78 0.685 -16.219 -2.181 631 HA PRO 79 HA PRO 79 2.817 -10.017 -7.605 632 HB2 PRO 79 HB2 PRO 79 4.953 -10.640 -9.192 633 HB3 PRO 79 HB3 PRO 79 5.002 -10.722 -7.442 634 HG2 PRO 79 HG2 PRO 79 4.832 -12.933 -9.398 635 HG3 PRO 79 HG3 PRO 79 5.304 -12.993 -7.711 636 HD2 PRO 79 HD2 PRO 79 2.785 -13.804 -8.818 637 HD3 PRO 79 HD3 PRO 79 3.217 -13.755 -7.121 638 H ALA 80 H ALA 80 4.088 -9.033 -9.876 639 HA ALA 80 HA ALA 80 3.711 -8.418 -11.994 640 HB1 ALA 80 HB1 ALA 80 1.153 -9.994 -12.195 641 HB2 ALA 80 HB2 ALA 80 2.387 -9.671 -13.437 642 HB3 ALA 80 HB3 ALA 80 2.707 -10.862 -12.152 643 H GLY 81 H GLY 81 0.594 -8.880 -10.178 644 HA2 GLY 81 HA2 GLY 81 -0.692 -6.613 -11.182 645 HA3 GLY 81 HA3 GLY 81 -1.052 -7.436 -9.677 646 H LEU 82 H LEU 82 1.612 -7.066 -8.454 647 HA LEU 82 HA LEU 82 1.172 -4.634 -7.192 648 HB2 LEU 82 HB2 LEU 82 3.031 -6.820 -7.083 649 HB3 LEU 82 HB3 LEU 82 3.909 -5.308 -6.966 650 HG LEU 82 HG LEU 82 3.466 -5.893 -4.753 651 HD11 LEU 82 HD11 LEU 82 1.090 -4.273 -4.639 652 HD12 LEU 82 HD12 LEU 82 2.758 -3.876 -4.162 653 HD13 LEU 82 HD13 LEU 82 2.224 -3.608 -5.839 654 HD21 LEU 82 HD21 LEU 82 0.540 -6.242 -4.899 655 HD22 LEU 82 HD22 LEU 82 1.497 -7.501 -5.717 656 HD23 LEU 82 HD23 LEU 82 1.771 -7.155 -3.993 657 H VAL 83 H VAL 83 4.100 -5.361 -9.208 658 HA VAL 83 HA VAL 83 4.766 -2.724 -9.622 659 HB VAL 83 HB VAL 83 5.250 -5.191 -11.300 660 HG11 VAL 83 HG11 VAL 83 6.779 -2.573 -11.413 661 HG12 VAL 83 HG12 VAL 83 7.012 -4.015 -12.431 662 HG13 VAL 83 HG13 VAL 83 5.525 -3.047 -12.584 663 HG21 VAL 83 HG21 VAL 83 7.616 -4.434 -10.057 664 HG22 VAL 83 HG22 VAL 83 6.377 -4.146 -8.812 665 HG23 VAL 83 HG23 VAL 83 6.536 -5.756 -9.554 666 H ALA 84 H ALA 84 2.942 -4.945 -11.853 667 HA ALA 84 HA ALA 84 2.423 -3.225 -13.870 668 HB1 ALA 84 HB1 ALA 84 1.784 -5.633 -13.734 669 HB2 ALA 84 HB2 ALA 84 0.456 -5.193 -12.632 670 HB3 ALA 84 HB3 ALA 84 0.453 -4.602 -14.311 671 H GLY 85 H GLY 85 1.030 -3.249 -10.588 672 HA2 GLY 85 HA2 GLY 85 -1.103 -1.444 -11.159 673 HA3 GLY 85 HA3 GLY 85 -0.486 -1.908 -9.586 674 H LEU 86 H LEU 86 2.191 -1.111 -9.655 675 HA LEU 86 HA LEU 86 2.047 1.548 -9.015 676 HB2 LEU 86 HB2 LEU 86 4.104 1.165 -8.335 677 HB3 LEU 86 HB3 LEU 86 3.940 -0.461 -8.968 678 HG LEU 86 HG LEU 86 4.783 0.552 -11.208 679 HD11 LEU 86 HD11 LEU 86 4.678 2.867 -10.834 680 HD12 LEU 86 HD12 LEU 86 5.481 2.740 -9.250 681 HD13 LEU 86 HD13 LEU 86 6.411 2.467 -10.743 682 HD21 LEU 86 HD21 LEU 86 6.094 -1.054 -10.060 683 HD22 LEU 86 HD22 LEU 86 7.171 0.317 -10.417 684 HD23 LEU 86 HD23 LEU 86 6.520 0.101 -8.774 685 H SER 87 H SER 87 2.814 -0.006 -12.172 686 HA SER 87 HA SER 87 3.490 2.397 -13.424 687 HB2 SER 87 HB2 SER 87 2.671 -0.354 -14.395 688 HB3 SER 87 HB3 SER 87 2.885 0.951 -15.544 689 HG SER 87 HG SER 87 4.991 0.643 -15.421 690 H LEU 88 H LEU 88 0.469 0.369 -13.461 691 HA LEU 88 HA LEU 88 -1.031 2.001 -15.096 692 HB2 LEU 88 HB2 LEU 88 -1.497 -0.152 -13.161 693 HB3 LEU 88 HB3 LEU 88 -2.854 0.943 -13.333 694 HG LEU 88 HG LEU 88 -1.733 0.119 -15.914 695 HD11 LEU 88 HD11 LEU 88 -3.003 -2.040 -14.211 696 HD12 LEU 88 HD12 LEU 88 -2.419 -2.179 -15.887 697 HD13 LEU 88 HD13 LEU 88 -1.261 -1.921 -14.560 698 HD21 LEU 88 HD21 LEU 88 -4.191 -0.471 -16.258 699 HD22 LEU 88 HD22 LEU 88 -4.466 0.211 -14.637 700 HD23 LEU 88 HD23 LEU 88 -3.801 1.235 -15.932 701 H MET 89 H MET 89 0.121 2.522 -11.838 702 HA MET 89 HA MET 89 -1.911 4.404 -11.192 703 HB2 MET 89 HB2 MET 89 -0.468 2.945 -9.584 704 HB3 MET 89 HB3 MET 89 0.845 4.063 -9.899 705 HG2 MET 89 HG2 MET 89 -1.477 5.645 -9.272 706 HG3 MET 89 HG3 MET 89 -1.383 4.372 -8.072 707 HE1 MET 89 HE1 MET 89 1.827 6.866 -9.684 708 HE2 MET 89 HE2 MET 89 0.079 7.054 -9.964 709 HE3 MET 89 HE3 MET 89 0.892 8.034 -8.719 710 H MET 90 H MET 90 1.701 4.773 -11.497 711 HA MET 90 HA MET 90 1.766 7.460 -11.591 712 HB2 MET 90 HB2 MET 90 3.982 7.180 -12.481 713 HB3 MET 90 HB3 MET 90 3.674 5.670 -11.646 714 HG2 MET 90 HG2 MET 90 4.324 4.726 -13.639 715 HG3 MET 90 HG3 MET 90 2.664 5.032 -14.109 716 HE1 MET 90 HE1 MET 90 4.398 4.674 -16.405 717 HE2 MET 90 HE2 MET 90 2.802 5.432 -16.620 718 HE3 MET 90 HE3 MET 90 4.236 6.142 -17.399 719 H ILE 91 H ILE 91 0.587 5.255 -14.067 720 HA ILE 91 HA ILE 91 0.741 7.268 -16.139 721 HB ILE 91 HB ILE 91 1.010 4.631 -16.245 722 HG12 ILE 91 HG12 ILE 91 -0.408 6.030 -18.510 723 HG13 ILE 91 HG13 ILE 91 1.217 6.485 -18.038 724 HG21 ILE 91 HG21 ILE 91 -1.952 5.074 -16.695 725 HG22 ILE 91 HG22 ILE 91 -1.058 3.620 -17.199 726 HG23 ILE 91 HG23 ILE 91 -1.183 4.034 -15.472 727 HD11 ILE 91 HD11 ILE 91 2.027 4.751 -19.241 728 HD12 ILE 91 HD12 ILE 91 1.180 3.625 -18.154 729 HD13 ILE 91 HD13 ILE 91 0.371 4.221 -19.623 730 H LEU 92 H LEU 92 -1.714 5.596 -14.091 731 HA LEU 92 HA LEU 92 -3.947 6.767 -15.263 732 HB2 LEU 92 HB2 LEU 92 -4.436 4.975 -13.943 733 HB3 LEU 92 HB3 LEU 92 -3.306 5.433 -12.684 734 HG LEU 92 HG LEU 92 -5.793 7.063 -13.155 735 HD11 LEU 92 HD11 LEU 92 -5.853 4.870 -11.127 736 HD12 LEU 92 HD12 LEU 92 -7.182 5.657 -12.011 737 HD13 LEU 92 HD13 LEU 92 -6.153 4.460 -12.833 738 HD21 LEU 92 HD21 LEU 92 -5.350 8.038 -11.163 739 HD22 LEU 92 HD22 LEU 92 -4.681 6.550 -10.451 740 HD23 LEU 92 HD23 LEU 92 -3.687 7.534 -11.552 741 H ARG 93 H ARG 93 -1.411 8.105 -13.278 742 HA ARG 93 HA ARG 93 -3.099 10.333 -12.557 743 HB2 ARG 93 HB2 ARG 93 -0.616 9.118 -11.519 744 HB3 ARG 93 HB3 ARG 93 -0.478 10.860 -11.647 745 HG2 ARG 93 HG2 ARG 93 -2.964 9.653 -10.403 746 HG3 ARG 93 HG3 ARG 93 -1.495 9.765 -9.454 747 HD2 ARG 93 HD2 ARG 93 -1.668 12.040 -9.225 748 HD3 ARG 93 HD3 ARG 93 -2.110 12.273 -10.905 749 HE ARG 93 HE ARG 93 -4.407 12.024 -10.341 750 HH11 ARG 93 HH22 ARG 93 -2.344 11.403 -7.560 751 HH12 ARG 93 HH21 ARG 93 -3.645 11.469 -6.419 752 HH21 ARG 93 HH12 ARG 93 -6.124 12.113 -8.836 753 HH22 ARG 93 HH11 ARG 93 -5.810 11.876 -7.150 754 H LEU 94 H LEU 94 -0.074 9.510 -14.364 755 HA LEU 94 HA LEU 94 0.607 12.089 -15.127 756 HB2 LEU 94 HB2 LEU 94 2.225 10.446 -15.374 757 HB3 LEU 94 HB3 LEU 94 1.143 9.347 -16.206 758 HG LEU 94 HG LEU 94 1.660 11.890 -17.626 759 HD11 LEU 94 HD11 LEU 94 3.883 9.845 -17.403 760 HD12 LEU 94 HD12 LEU 94 3.885 11.353 -18.349 761 HD13 LEU 94 HD13 LEU 94 3.867 11.418 -16.571 762 HD21 LEU 94 HD21 LEU 94 2.231 9.433 -19.052 763 HD22 LEU 94 HD22 LEU 94 0.656 9.351 -18.227 764 HD23 LEU 94 HD23 LEU 94 0.997 10.676 -19.365 765 H VAL 95 H VAL 95 -2.108 10.122 -15.999 766 HA VAL 95 HA VAL 95 -2.542 10.951 -18.614 767 HB VAL 95 HB VAL 95 -4.170 9.874 -16.366 768 HG11 VAL 95 HG11 VAL 95 -5.728 11.502 -17.152 769 HG12 VAL 95 HG12 VAL 95 -5.348 11.143 -18.854 770 HG13 VAL 95 HG13 VAL 95 -6.211 9.943 -17.861 771 HG21 VAL 95 HG21 VAL 95 -3.369 8.088 -17.508 772 HG22 VAL 95 HG22 VAL 95 -4.769 8.401 -18.561 773 HG23 VAL 95 HG23 VAL 95 -3.159 9.007 -19.017 774 H LEU 96 H LEU 96 -3.981 12.281 -15.545 775 HA LEU 96 HA LEU 96 -4.802 14.636 -16.994 776 HB2 LEU 96 HB2 LEU 96 -5.915 15.253 -14.965 777 HB3 LEU 96 HB3 LEU 96 -6.281 13.588 -15.369 778 HG LEU 96 HG LEU 96 -4.062 14.153 -13.431 779 HD11 LEU 96 HD11 LEU 96 -6.991 14.125 -12.654 780 HD12 LEU 96 HD12 LEU 96 -5.591 14.255 -11.561 781 HD13 LEU 96 HD13 LEU 96 -5.953 15.571 -12.704 782 HD21 LEU 96 HD21 LEU 96 -5.654 11.863 -14.306 783 HD22 LEU 96 HD22 LEU 96 -4.068 11.924 -13.500 784 HD23 LEU 96 HD23 LEU 96 -5.561 12.015 -12.535 785 H LEU 97 H LEU 97 -2.424 13.677 -14.460 786 HA LEU 97 HA LEU 97 -0.878 14.934 -13.411 787 HB2 LEU 97 HB2 LEU 97 -0.042 14.026 -15.689 788 HB3 LEU 97 HB3 LEU 97 -0.057 15.704 -16.194 789 HG LEU 97 HG LEU 97 1.428 14.806 -13.723 790 HD11 LEU 97 HD11 LEU 97 2.834 15.160 -16.347 791 HD12 LEU 97 HD12 LEU 97 3.330 14.255 -14.897 792 HD13 LEU 97 HD13 LEU 97 2.060 13.605 -15.962 793 HD21 LEU 97 HD21 LEU 97 1.449 17.270 -15.457 794 HD22 LEU 97 HD22 LEU 97 1.209 17.131 -13.699 795 HD23 LEU 97 HD23 LEU 97 2.821 16.856 -14.401 796 H LEU 98 H LEU 98 -3.234 16.352 -13.252 797 HA LEU 98 HA LEU 98 -2.273 19.087 -13.719 798 HB2 LEU 98 HB2 LEU 98 -4.705 19.688 -13.998 799 HB3 LEU 98 HB3 LEU 98 -3.929 18.853 -15.329 800 HG LEU 98 HG LEU 98 -4.976 16.727 -14.021 801 HD11 LEU 98 HD11 LEU 98 -7.060 18.882 -13.614 802 HD12 LEU 98 HD12 LEU 98 -7.127 17.173 -13.119 803 HD13 LEU 98 HD13 LEU 98 -5.991 18.288 -12.321 804 HD21 LEU 98 HD21 LEU 98 -6.997 17.091 -15.626 805 HD22 LEU 98 HD22 LEU 98 -6.062 18.497 -16.190 806 HD23 LEU 98 HD23 LEU 98 -5.363 16.863 -16.294 807 H LEU 99 H LEU 99 -4.331 16.842 -11.783 808 HA LEU 99 HA LEU 99 -5.055 18.562 -9.779 809 HB2 LEU 99 HB2 LEU 99 -5.005 15.744 -10.265 810 HB3 LEU 99 HB3 LEU 99 -4.457 16.037 -8.626 811 HG LEU 99 HG LEU 99 -7.043 17.123 -9.774 812 HD11 LEU 99 HD11 LEU 99 -8.222 15.366 -8.708 813 HD12 LEU 99 HD12 LEU 99 -6.910 14.602 -9.639 814 HD13 LEU 99 HD13 LEU 99 -6.759 14.787 -7.875 815 HD21 LEU 99 HD21 LEU 99 -6.397 18.522 -7.995 816 HD22 LEU 99 HD22 LEU 99 -7.574 17.384 -7.296 817 HD23 LEU 99 HD23 LEU 99 -5.833 17.152 -7.008 Start of MODEL 2 1 H MET 1 H1 MET 1 -8.326 -39.173 -25.284 2 HA MET 1 HA MET 1 -6.931 -40.035 -26.952 3 HB2 MET 1 HB2 MET 1 -8.271 -42.607 -26.044 4 HB3 MET 1 HB3 MET 1 -7.671 -42.522 -27.688 5 HG2 MET 1 HG2 MET 1 -5.891 -41.726 -25.354 6 HG3 MET 1 HG3 MET 1 -6.066 -43.410 -25.806 7 HE1 MET 1 HE1 MET 1 -2.810 -41.245 -27.020 8 HE2 MET 1 HE2 MET 1 -3.691 -41.699 -25.542 9 HE3 MET 1 HE3 MET 1 -2.928 -42.956 -26.545 10 H ASP 2 H ASP 2 -7.510 -39.904 -29.189 11 HA ASP 2 HA ASP 2 -10.315 -40.205 -29.785 12 HB2 ASP 2 HB2 ASP 2 -8.727 -37.638 -30.247 13 HB3 ASP 2 HB3 ASP 2 -10.284 -37.958 -30.985 14 H LEU 3 H LEU 3 -10.654 -40.216 -32.225 15 HA LEU 3 HA LEU 3 -8.505 -41.549 -33.509 16 HB2 LEU 3 HB2 LEU 3 -11.259 -41.400 -33.778 17 HB3 LEU 3 HB3 LEU 3 -10.667 -40.607 -35.224 18 HG LEU 3 HG LEU 3 -9.094 -42.795 -35.276 19 HD11 LEU 3 HD11 LEU 3 -11.297 -44.465 -34.669 20 HD12 LEU 3 HD12 LEU 3 -9.705 -44.398 -33.874 21 HD13 LEU 3 HD13 LEU 3 -11.047 -43.399 -33.265 22 HD21 LEU 3 HD21 LEU 3 -11.418 -43.707 -36.515 23 HD22 LEU 3 HD22 LEU 3 -11.552 -41.933 -36.561 24 HD23 LEU 3 HD23 LEU 3 -10.119 -42.736 -37.248 25 H ILE 4 H ILE 4 -10.264 -38.478 -34.359 26 HA ILE 4 HA ILE 4 -8.660 -37.582 -36.314 27 HB ILE 4 HB ILE 4 -10.502 -36.296 -35.909 28 HG12 ILE 4 HG12 ILE 4 -8.734 -34.404 -34.444 29 HG13 ILE 4 HG13 ILE 4 -8.128 -35.015 -35.970 30 HG21 ILE 4 HG21 ILE 4 -11.482 -36.554 -33.925 31 HG22 ILE 4 HG22 ILE 4 -9.933 -36.868 -33.105 32 HG23 ILE 4 HG23 ILE 4 -10.477 -35.194 -33.370 33 HD11 ILE 4 HD11 ILE 4 -10.398 -33.177 -35.438 34 HD12 ILE 4 HD12 ILE 4 -9.372 -33.328 -36.884 35 HD13 ILE 4 HD13 ILE 4 -10.742 -34.439 -36.645 36 H GLY 5 H GLY 5 -8.182 -35.925 -33.167 37 HA2 GLY 5 HA2 GLY 5 -6.282 -35.723 -31.906 38 HA3 GLY 5 HA3 GLY 5 -5.403 -36.740 -33.031 39 H PHE 6 H PHE 6 -5.808 -35.453 -35.498 40 HA PHE 6 HA PHE 6 -3.891 -33.447 -35.381 41 HB2 PHE 6 HB2 PHE 6 -5.136 -35.014 -37.280 42 HB3 PHE 6 HB3 PHE 6 -5.992 -33.511 -37.561 43 HD1 PHE 6 HD2 PHE 6 -2.434 -34.486 -36.929 44 HD2 PHE 6 HD1 PHE 6 -5.167 -32.293 -39.321 45 HE1 PHE 6 HE2 PHE 6 -0.534 -33.670 -38.351 46 HE2 PHE 6 HE1 PHE 6 -3.268 -31.476 -40.743 47 HZ PHE 6 HZ PHE 6 -0.973 -32.175 -40.242 48 H GLY 7 H GLY 7 -7.408 -33.090 -36.259 49 HA2 GLY 7 HA2 GLY 7 -7.660 -30.426 -36.403 50 HA3 GLY 7 HA3 GLY 7 -8.878 -31.461 -35.684 51 H TYR 8 H TYR 8 -7.805 -32.322 -33.298 52 HA TYR 8 HA TYR 8 -8.187 -30.158 -31.620 53 HB2 TYR 8 HB2 TYR 8 -8.109 -32.831 -31.370 54 HB3 TYR 8 HB3 TYR 8 -6.408 -32.582 -31.033 55 HD1 TYR 8 HD1 TYR 8 -9.574 -30.855 -29.962 56 HD2 TYR 8 HD2 TYR 8 -5.930 -32.758 -28.777 57 HE1 TYR 8 HE1 TYR 8 -10.118 -30.394 -27.522 58 HE2 TYR 8 HE2 TYR 8 -6.487 -32.290 -26.341 59 HH TYR 8 HH TYR 8 -9.091 -30.201 -25.457 60 H ALA 9 H ALA 9 -5.088 -31.757 -32.636 61 HA ALA 9 HA ALA 9 -3.454 -30.031 -31.146 62 HB1 ALA 9 HB1 ALA 9 -1.839 -31.414 -31.914 63 HB2 ALA 9 HB2 ALA 9 -3.165 -32.346 -32.651 64 HB3 ALA 9 HB3 ALA 9 -2.288 -31.131 -33.613 65 H ALA 10 H ALA 10 -5.190 -29.698 -34.187 66 HA ALA 10 HA ALA 10 -3.557 -27.706 -35.330 67 HB1 ALA 10 HB1 ALA 10 -5.620 -29.246 -36.180 68 HB2 ALA 10 HB2 ALA 10 -6.490 -27.725 -35.868 69 HB3 ALA 10 HB3 ALA 10 -5.118 -27.749 -37.001 70 H LEU 11 H LEU 11 -6.820 -27.412 -33.741 71 HA LEU 11 HA LEU 11 -6.731 -24.653 -33.531 72 HB2 LEU 11 HB2 LEU 11 -8.616 -24.848 -32.147 73 HB3 LEU 11 HB3 LEU 11 -8.717 -26.140 -33.326 74 HG LEU 11 HG LEU 11 -7.505 -27.485 -31.326 75 HD11 LEU 11 HD11 LEU 11 -8.619 -25.057 -30.094 76 HD12 LEU 11 HD12 LEU 11 -9.133 -26.578 -29.327 77 HD13 LEU 11 HD13 LEU 11 -7.400 -26.205 -29.490 78 HD21 LEU 11 HD21 LEU 11 -9.491 -28.620 -31.068 79 HD22 LEU 11 HD22 LEU 11 -10.478 -27.141 -31.138 80 HD23 LEU 11 HD23 LEU 11 -9.757 -27.801 -32.625 81 H VAL 12 H VAL 12 -5.504 -27.238 -31.358 82 HA VAL 12 HA VAL 12 -4.936 -25.668 -29.159 83 HB VAL 12 HB VAL 12 -3.855 -28.202 -30.326 84 HG11 VAL 12 HG11 VAL 12 -1.832 -27.378 -29.443 85 HG12 VAL 12 HG12 VAL 12 -2.640 -26.647 -28.035 86 HG13 VAL 12 HG13 VAL 12 -2.493 -28.417 -28.158 87 HG21 VAL 12 HG21 VAL 12 -5.524 -29.008 -29.083 88 HG22 VAL 12 HG22 VAL 12 -4.625 -28.500 -27.633 89 HG23 VAL 12 HG23 VAL 12 -5.828 -27.410 -28.362 90 H THR 13 H THR 13 -2.866 -26.449 -32.036 91 HA THR 13 HA THR 13 -0.685 -24.896 -31.194 92 HB THR 13 HB THR 13 -1.688 -26.026 -33.841 93 HG1 THR 13 HG1 THR 13 0.569 -26.383 -31.995 94 HG21 THR 13 HG21 THR 13 0.434 -23.999 -33.385 95 HG22 THR 13 HG22 THR 13 1.034 -25.490 -34.148 96 HG23 THR 13 HG23 THR 13 -0.275 -24.562 -34.917 97 H PHE 14 H PHE 14 -3.708 -24.076 -32.893 98 HA PHE 14 HA PHE 14 -2.872 -21.574 -33.820 99 HB2 PHE 14 HB2 PHE 14 -5.054 -23.204 -34.082 100 HB3 PHE 14 HB3 PHE 14 -5.692 -22.143 -32.842 101 HD1 PHE 14 HD1 PHE 14 -5.971 -19.719 -33.314 102 HD2 PHE 14 HD2 PHE 14 -4.826 -22.464 -36.341 103 HE1 PHE 14 HE1 PHE 14 -6.608 -18.045 -35.073 104 HE2 PHE 14 HE2 PHE 14 -5.463 -20.791 -38.100 105 HZ PHE 14 HZ PHE 14 -6.346 -18.601 -37.445 106 H GLY 15 H GLY 15 -4.857 -22.462 -30.899 107 HA2 GLY 15 HA2 GLY 15 -4.980 -19.866 -29.846 108 HA3 GLY 15 HA3 GLY 15 -5.225 -21.366 -28.973 109 H SER 16 H SER 16 -2.453 -22.375 -29.775 110 HA SER 16 HA SER 16 -1.142 -21.385 -27.512 111 HB2 SER 16 HB2 SER 16 -0.839 -23.539 -29.363 112 HB3 SER 16 HB3 SER 16 0.681 -22.668 -29.375 113 HG SER 16 HG SER 16 -0.521 -23.224 -26.844 114 H ILE 17 H ILE 17 -0.730 -20.895 -31.076 115 HA ILE 17 HA ILE 17 1.506 -19.184 -30.787 116 HB ILE 17 HB ILE 17 -0.407 -19.771 -33.038 117 HG12 ILE 17 HG12 ILE 17 2.525 -20.469 -32.767 118 HG13 ILE 17 HG13 ILE 17 1.243 -21.521 -32.198 119 HG21 ILE 17 HG21 ILE 17 1.778 -17.734 -32.859 120 HG22 ILE 17 HG22 ILE 17 1.540 -18.620 -34.384 121 HG23 ILE 17 HG23 ILE 17 0.208 -17.662 -33.694 122 HD11 ILE 17 HD11 ILE 17 0.519 -22.047 -34.339 123 HD12 ILE 17 HD12 ILE 17 0.993 -20.464 -35.001 124 HD13 ILE 17 HD13 ILE 17 2.230 -21.707 -34.695 125 H PHE 18 H PHE 18 -1.866 -18.422 -31.919 126 HA PHE 18 HA PHE 18 -1.684 -15.722 -31.768 127 HB2 PHE 18 HB2 PHE 18 -3.706 -17.861 -31.761 128 HB3 PHE 18 HB3 PHE 18 -4.261 -16.539 -30.753 129 HD1 PHE 18 HD2 PHE 18 -3.318 -17.511 -34.165 130 HD2 PHE 18 HD1 PHE 18 -4.869 -14.416 -31.712 131 HE1 PHE 18 HE2 PHE 18 -4.064 -16.264 -36.211 132 HE2 PHE 18 HE1 PHE 18 -5.616 -13.168 -33.758 133 HZ PHE 18 HZ PHE 18 -5.204 -14.107 -35.983 134 H GLY 19 H GLY 19 -2.287 -18.052 -29.096 135 HA2 GLY 19 HA2 GLY 19 -3.180 -16.477 -27.082 136 HA3 GLY 19 HA3 GLY 19 -2.031 -17.783 -26.868 137 H TYR 20 H TYR 20 0.335 -16.998 -27.892 138 HA TYR 20 HA TYR 20 2.131 -15.756 -27.512 139 HB2 TYR 20 HB2 TYR 20 -0.067 -14.013 -28.245 140 HB3 TYR 20 HB3 TYR 20 0.795 -13.192 -26.959 141 HD1 TYR 20 HD1 TYR 20 3.187 -12.557 -27.258 142 HD2 TYR 20 HD2 TYR 20 0.894 -14.257 -30.445 143 HE1 TYR 20 HE1 TYR 20 4.915 -11.753 -28.940 144 HE2 TYR 20 HE2 TYR 20 2.630 -13.447 -32.116 145 HH TYR 20 HH TYR 20 4.918 -12.841 -32.180 146 H LYS 21 H LYS 21 3.328 -14.414 -25.859 147 HA LYS 21 HA LYS 21 2.862 -15.369 -23.320 148 HB2 LYS 21 HB2 LYS 21 5.024 -14.543 -24.107 149 HB3 LYS 21 HB3 LYS 21 4.398 -12.909 -24.209 150 HG2 LYS 21 HG2 LYS 21 3.879 -13.013 -21.724 151 HG3 LYS 21 HG3 LYS 21 4.654 -14.584 -21.667 152 HD2 LYS 21 HD2 LYS 21 6.693 -13.319 -22.807 153 HD3 LYS 21 HD3 LYS 21 5.908 -11.877 -22.194 154 HE2 LYS 21 HE2 LYS 21 5.922 -13.834 -20.071 155 HE3 LYS 21 HE3 LYS 21 7.536 -13.775 -20.751 156 HZ1 LYS 21 HZ1 LYS 21 7.130 -11.241 -20.605 157 HZ2 LYS 21 HZ2 LYS 21 6.025 -11.651 -19.475 158 HZ3 LYS 21 HZ3 LYS 21 7.590 -12.071 -19.276 159 H ARG 22 H ARG 22 1.340 -14.947 -21.819 160 HA ARG 22 HA ARG 22 -0.178 -12.511 -22.207 161 HB2 ARG 22 HB2 ARG 22 -0.743 -15.156 -20.817 162 HB3 ARG 22 HB3 ARG 22 -1.708 -13.745 -20.431 163 HG2 ARG 22 HG2 ARG 22 -2.529 -13.542 -22.676 164 HG3 ARG 22 HG3 ARG 22 -1.278 -14.588 -23.321 165 HD2 ARG 22 HD2 ARG 22 -2.266 -16.528 -22.064 166 HD3 ARG 22 HD3 ARG 22 -3.527 -15.478 -21.448 167 HE ARG 22 HE ARG 22 -3.621 -15.143 -24.227 168 HH11 ARG 22 HH22 ARG 22 -3.922 -17.852 -22.001 169 HH12 ARG 22 HH21 ARG 22 -4.977 -18.752 -23.038 170 HH21 ARG 22 HH12 ARG 22 -5.014 -16.331 -25.595 171 HH22 ARG 22 HH11 ARG 22 -5.603 -17.881 -25.096 172 H ARG 23 H ARG 23 -1.063 -11.558 -19.984 173 HA ARG 23 HA ARG 23 1.085 -10.603 -18.606 174 HB2 ARG 23 HB2 ARG 23 -1.637 -10.093 -18.669 175 HB3 ARG 23 HB3 ARG 23 -1.465 -10.762 -17.059 176 HG2 ARG 23 HG2 ARG 23 0.381 -9.118 -16.591 177 HG3 ARG 23 HG3 ARG 23 0.158 -8.432 -18.188 178 HD2 ARG 23 HD2 ARG 23 -1.426 -7.061 -17.309 179 HD3 ARG 23 HD3 ARG 23 -2.445 -8.466 -17.071 180 HE ARG 23 HE ARG 23 -0.834 -8.599 -14.866 181 HH11 ARG 23 HH22 ARG 23 -2.645 -5.933 -16.279 182 HH12 ARG 23 HH21 ARG 23 -2.891 -5.130 -14.764 183 HH21 ARG 23 HH12 ARG 23 -1.159 -7.540 -12.867 184 HH22 ARG 23 HH11 ARG 23 -2.041 -6.050 -12.810 185 H GLY 24 H GLY 24 -1.403 -13.007 -17.448 186 HA2 GLY 24 HA2 GLY 24 -1.081 -14.895 -16.210 187 HA3 GLY 24 HA3 GLY 24 0.634 -14.550 -16.099 188 H GLY 25 H GLY 25 -1.392 -15.327 -13.982 189 HA2 GLY 25 HA2 GLY 25 -1.300 -14.879 -11.725 190 HA3 GLY 25 HA3 GLY 25 -0.605 -13.303 -12.043 191 H VAL 26 H VAL 26 -3.586 -15.178 -11.715 192 HA VAL 26 HA VAL 26 -5.390 -13.254 -12.636 193 HB VAL 26 HB VAL 26 -5.407 -15.767 -11.145 194 HG11 VAL 26 HG11 VAL 26 -7.807 -15.351 -10.336 195 HG12 VAL 26 HG12 VAL 26 -6.486 -14.653 -9.370 196 HG13 VAL 26 HG13 VAL 26 -7.425 -13.618 -10.472 197 HG21 VAL 26 HG21 VAL 26 -7.199 -16.303 -12.609 198 HG22 VAL 26 HG22 VAL 26 -7.541 -14.589 -12.943 199 HG23 VAL 26 HG23 VAL 26 -6.053 -15.338 -13.569 200 HA PRO 27 HA PRO 27 -5.387 -11.735 -8.157 201 HB2 PRO 27 HB2 PRO 27 -3.503 -12.640 -6.398 202 HB3 PRO 27 HB3 PRO 27 -5.114 -13.320 -6.510 203 HG2 PRO 27 HG2 PRO 27 -2.558 -14.441 -7.485 204 HG3 PRO 27 HG3 PRO 27 -4.081 -15.262 -7.203 205 HD2 PRO 27 HD2 PRO 27 -2.993 -14.487 -9.741 206 HD3 PRO 27 HD3 PRO 27 -4.566 -15.202 -9.449 207 H SER 28 H SER 28 -4.317 -10.536 -10.238 208 HA SER 28 HA SER 28 -1.986 -9.267 -9.026 209 HB2 SER 28 HB2 SER 28 -0.975 -9.019 -11.153 210 HB3 SER 28 HB3 SER 28 -1.624 -10.647 -11.181 211 HG SER 28 HG SER 28 -2.782 -10.088 -12.881 212 H LEU 29 H LEU 29 -4.618 -8.760 -11.496 213 HA LEU 29 HA LEU 29 -4.564 -6.047 -11.618 214 HB2 LEU 29 HB2 LEU 29 -7.013 -6.242 -12.147 215 HB3 LEU 29 HB3 LEU 29 -5.915 -7.200 -13.121 216 HG LEU 29 HG LEU 29 -6.762 -8.817 -10.920 217 HD11 LEU 29 HD11 LEU 29 -8.770 -7.913 -10.452 218 HD12 LEU 29 HD12 LEU 29 -8.861 -7.036 -11.998 219 HD13 LEU 29 HD13 LEU 29 -9.276 -8.765 -11.930 220 HD21 LEU 29 HD21 LEU 29 -6.062 -9.283 -13.419 221 HD22 LEU 29 HD22 LEU 29 -7.160 -10.380 -12.546 222 HD23 LEU 29 HD23 LEU 29 -7.818 -9.189 -13.694 223 H ILE 30 H ILE 30 -6.265 -8.112 -9.183 224 HA ILE 30 HA ILE 30 -7.421 -5.966 -7.807 225 HB ILE 30 HB ILE 30 -7.948 -8.475 -7.762 226 HG12 ILE 30 HG12 ILE 30 -9.230 -6.903 -6.486 227 HG13 ILE 30 HG13 ILE 30 -8.883 -8.286 -5.467 228 HG21 ILE 30 HG21 ILE 30 -5.684 -8.350 -5.763 229 HG22 ILE 30 HG22 ILE 30 -6.930 -9.621 -5.747 230 HG23 ILE 30 HG23 ILE 30 -5.869 -9.433 -7.163 231 HD11 ILE 30 HD11 ILE 30 -6.742 -6.816 -4.783 232 HD12 ILE 30 HD12 ILE 30 -7.801 -5.484 -5.307 233 HD13 ILE 30 HD13 ILE 30 -8.322 -6.575 -4.000 234 H ALA 31 H ALA 31 -4.190 -7.460 -7.744 235 HA ALA 31 HA ALA 31 -3.375 -6.343 -5.294 236 HB1 ALA 31 HB1 ALA 31 -2.378 -8.252 -6.806 237 HB2 ALA 31 HB2 ALA 31 -1.496 -6.916 -7.582 238 HB3 ALA 31 HB3 ALA 31 -1.287 -7.228 -5.843 239 H GLY 32 H GLY 32 -2.419 -5.397 -8.677 240 HA2 GLY 32 HA2 GLY 32 -1.225 -2.998 -8.064 241 HA3 GLY 32 HA3 GLY 32 -2.013 -3.379 -9.582 242 H LEU 33 H LEU 33 -4.716 -3.672 -8.799 243 HA LEU 33 HA LEU 33 -5.602 -1.074 -8.840 244 HB2 LEU 33 HB2 LEU 33 -7.038 -2.761 -9.572 245 HB3 LEU 33 HB3 LEU 33 -6.872 -3.689 -8.095 246 HG LEU 33 HG LEU 33 -7.976 -1.189 -7.341 247 HD11 LEU 33 HD11 LEU 33 -9.355 -2.365 -9.770 248 HD12 LEU 33 HD12 LEU 33 -10.047 -1.133 -8.688 249 HD13 LEU 33 HD13 LEU 33 -8.591 -0.762 -9.642 250 HD21 LEU 33 HD21 LEU 33 -8.439 -3.161 -6.116 251 HD22 LEU 33 HD22 LEU 33 -9.984 -2.639 -6.828 252 HD23 LEU 33 HD23 LEU 33 -9.083 -3.994 -7.551 253 H PHE 34 H PHE 34 -5.384 -3.325 -5.999 254 HA PHE 34 HA PHE 34 -6.327 -1.561 -4.112 255 HB2 PHE 34 HB2 PHE 34 -5.582 -4.118 -4.105 256 HB3 PHE 34 HB3 PHE 34 -3.988 -3.501 -3.717 257 HD1 PHE 34 HD1 PHE 34 -3.863 -1.903 -1.648 258 HD2 PHE 34 HD2 PHE 34 -7.068 -4.585 -2.387 259 HE1 PHE 34 HE1 PHE 34 -4.483 -1.832 0.783 260 HE2 PHE 34 HE2 PHE 34 -7.688 -4.514 0.044 261 HZ PHE 34 HZ PHE 34 -6.388 -3.138 1.600 262 H VAL 35 H VAL 35 -2.991 -1.987 -5.420 263 HA VAL 35 HA VAL 35 -1.731 -0.293 -3.591 264 HB VAL 35 HB VAL 35 -1.072 -1.081 -6.433 265 HG11 VAL 35 HG11 VAL 35 1.159 -0.276 -6.093 266 HG12 VAL 35 HG12 VAL 35 0.043 1.054 -5.698 267 HG13 VAL 35 HG13 VAL 35 0.819 0.126 -4.392 268 HG21 VAL 35 HG21 VAL 35 -1.145 -2.624 -4.138 269 HG22 VAL 35 HG22 VAL 35 -0.212 -2.984 -5.611 270 HG23 VAL 35 HG23 VAL 35 0.566 -2.146 -4.247 271 H GLY 36 H GLY 36 -3.494 0.293 -6.658 272 HA2 GLY 36 HA2 GLY 36 -2.739 3.037 -6.867 273 HA3 GLY 36 HA3 GLY 36 -4.011 2.208 -7.740 274 H CYS 37 H CYS 37 -5.300 1.199 -5.188 275 HA CYS 37 HA CYS 37 -6.993 3.431 -4.812 276 HB2 CYS 37 HB2 CYS 37 -6.966 0.598 -4.078 277 HB3 CYS 37 HB3 CYS 37 -7.590 1.607 -2.789 278 HG CYS 37 HG CYS 37 -9.704 1.006 -3.966 279 H LEU 38 H LEU 38 -4.557 1.650 -2.789 280 HA LEU 38 HA LEU 38 -4.830 3.387 -0.577 281 HB2 LEU 38 HB2 LEU 38 -3.267 2.077 0.434 282 HB3 LEU 38 HB3 LEU 38 -3.937 0.966 -0.744 283 HG LEU 38 HG LEU 38 -1.973 1.621 -2.259 284 HD11 LEU 38 HD11 LEU 38 -0.538 3.175 -1.599 285 HD12 LEU 38 HD12 LEU 38 -1.473 3.404 -0.101 286 HD13 LEU 38 HD13 LEU 38 -0.146 2.219 -0.149 287 HD21 LEU 38 HD21 LEU 38 -0.613 0.272 -0.098 288 HD22 LEU 38 HD22 LEU 38 -2.277 -0.335 -0.270 289 HD23 LEU 38 HD23 LEU 38 -1.172 -0.361 -1.665 290 H ALA 39 H ALA 39 -3.025 3.476 -3.614 291 HA ALA 39 HA ALA 39 -1.080 5.343 -2.786 292 HB1 ALA 39 HB1 ALA 39 -0.636 4.050 -4.729 293 HB2 ALA 39 HB2 ALA 39 -2.209 4.453 -5.457 294 HB3 ALA 39 HB3 ALA 39 -0.941 5.696 -5.334 295 H GLY 40 H GLY 40 -4.161 5.703 -4.687 296 HA2 GLY 40 HA2 GLY 40 -4.094 8.507 -4.787 297 HA3 GLY 40 HA3 GLY 40 -5.497 7.480 -5.011 298 H TYR 41 H TYR 41 -6.313 6.405 -2.809 299 HA TYR 41 HA TYR 41 -7.299 8.414 -1.221 300 HB2 TYR 41 HB2 TYR 41 -7.759 5.792 -1.549 301 HB3 TYR 41 HB3 TYR 41 -6.593 5.591 -0.256 302 HD1 TYR 41 HD1 TYR 41 -9.856 7.194 -1.087 303 HD2 TYR 41 HD2 TYR 41 -7.235 5.831 2.008 304 HE1 TYR 41 HE1 TYR 41 -11.692 7.550 0.635 305 HE2 TYR 41 HE2 TYR 41 -9.080 6.193 3.719 306 HH TYR 41 HH TYR 41 -12.090 6.319 3.122 307 H GLY 42 H GLY 42 -4.271 6.510 -0.877 308 HA2 GLY 42 HA2 GLY 42 -3.643 7.275 1.750 309 HA3 GLY 42 HA3 GLY 42 -2.524 6.722 0.520 310 H ALA 43 H ALA 43 -1.786 8.360 -1.156 311 HA ALA 43 HA ALA 43 -0.578 10.498 -0.066 312 HB1 ALA 43 HB1 ALA 43 0.100 9.984 -2.224 313 HB2 ALA 43 HB2 ALA 43 -1.568 9.842 -2.830 314 HB3 ALA 43 HB3 ALA 43 -0.865 11.449 -2.526 315 H TYR 44 H TYR 44 -3.676 10.743 -1.965 316 HA TYR 44 HA TYR 44 -5.427 12.087 -1.730 317 HB2 TYR 44 HB2 TYR 44 -4.752 11.421 0.818 318 HB3 TYR 44 HB3 TYR 44 -4.279 13.106 0.909 319 HD1 TYR 44 HD2 TYR 44 -7.207 11.017 -0.172 320 HD2 TYR 44 HD1 TYR 44 -5.855 14.657 1.626 321 HE1 TYR 44 HE2 TYR 44 -9.612 11.672 0.328 322 HE2 TYR 44 HE1 TYR 44 -8.264 15.299 2.120 323 HH TYR 44 HH TYR 44 -10.771 14.140 0.665 324 H ARG 45 H ARG 45 -2.712 13.810 -0.022 325 HA ARG 45 HA ARG 45 -3.130 15.939 -1.964 326 HB2 ARG 45 HB2 ARG 45 -3.289 16.027 0.927 327 HB3 ARG 45 HB3 ARG 45 -1.907 16.985 0.435 328 HG2 ARG 45 HG2 ARG 45 -3.485 18.085 -1.310 329 HG3 ARG 45 HG3 ARG 45 -4.803 17.320 -0.445 330 HD2 ARG 45 HD2 ARG 45 -2.821 18.852 1.217 331 HD3 ARG 45 HD3 ARG 45 -3.875 19.798 0.185 332 HE ARG 45 HE ARG 45 -5.740 19.140 1.482 333 HH11 ARG 45 HH22 ARG 45 -2.886 17.306 2.418 334 HH12 ARG 45 HH21 ARG 45 -3.615 16.657 3.849 335 HH21 ARG 45 HH12 ARG 45 -6.703 18.285 3.370 336 HH22 ARG 45 HH11 ARG 45 -5.801 17.218 4.394 337 H VAL 46 H VAL 46 -1.141 13.464 -1.152 338 HA VAL 46 HA VAL 46 1.370 14.858 -1.067 339 HB VAL 46 HB VAL 46 0.423 12.024 -1.001 340 HG11 VAL 46 HG11 VAL 46 3.223 12.924 -1.714 341 HG12 VAL 46 HG12 VAL 46 2.884 11.342 -0.973 342 HG13 VAL 46 HG13 VAL 46 2.185 11.751 -2.558 343 HG21 VAL 46 HG21 VAL 46 1.380 11.970 1.121 344 HG22 VAL 46 HG22 VAL 46 2.509 13.298 0.759 345 HG23 VAL 46 HG23 VAL 46 0.781 13.643 1.009 346 H SER 47 H SER 47 -0.887 14.432 -3.458 347 HA SER 47 HA SER 47 1.120 13.902 -5.489 348 HB2 SER 47 HB2 SER 47 -0.884 12.513 -5.645 349 HB3 SER 47 HB3 SER 47 -1.926 13.921 -5.585 350 HG SER 47 HG SER 47 -0.771 14.617 -7.626 351 H ASN 48 H ASN 48 1.489 15.409 -7.218 352 HA ASN 48 HA ASN 48 1.449 17.311 -8.292 353 HB2 ASN 48 HB2 ASN 48 -1.118 17.286 -7.768 354 HB3 ASN 48 HB3 ASN 48 -0.745 18.403 -6.471 355 HD21 ASN 48 HD21 ASN 48 -2.235 19.735 -7.769 356 HD22 ASN 48 HD22 ASN 48 -1.591 20.736 -9.027 357 H ASP 49 H ASP 49 0.414 18.109 -4.878 358 HA ASP 49 HA ASP 49 2.217 20.247 -4.704 359 HB2 ASP 49 HB2 ASP 49 0.022 19.333 -3.262 360 HB3 ASP 49 HB3 ASP 49 1.338 18.974 -2.162 361 H LYS 50 H LYS 50 2.618 16.861 -4.643 362 HA LYS 50 HA LYS 50 5.303 17.098 -3.699 363 HB2 LYS 50 HB2 LYS 50 3.231 16.298 -1.833 364 HB3 LYS 50 HB3 LYS 50 4.372 14.993 -2.081 365 HG2 LYS 50 HG2 LYS 50 6.238 16.776 -1.758 366 HG3 LYS 50 HG3 LYS 50 4.972 17.836 -1.170 367 HD2 LYS 50 HD2 LYS 50 4.632 16.600 0.774 368 HD3 LYS 50 HD3 LYS 50 5.064 15.079 0.018 369 HE2 LYS 50 HE2 LYS 50 7.486 16.250 -0.138 370 HE3 LYS 50 HE3 LYS 50 6.863 17.191 1.202 371 HZ1 LYS 50 HZ1 LYS 50 7.073 15.459 2.532 372 HZ2 LYS 50 HZ2 LYS 50 6.309 14.437 1.512 373 HZ3 LYS 50 HZ3 LYS 50 7.912 14.703 1.352 374 H ARG 51 H ARG 51 6.252 14.673 -3.638 375 HA ARG 51 HA ARG 51 5.902 13.762 -6.226 376 HB2 ARG 51 HB2 ARG 51 7.004 11.933 -4.085 377 HB3 ARG 51 HB3 ARG 51 7.602 12.209 -5.709 378 HG2 ARG 51 HG2 ARG 51 7.877 14.733 -4.614 379 HG3 ARG 51 HG3 ARG 51 8.151 13.728 -3.204 380 HD2 ARG 51 HD2 ARG 51 9.713 13.781 -5.809 381 HD3 ARG 51 HD3 ARG 51 10.316 13.979 -4.175 382 HE ARG 51 HE ARG 51 9.141 11.393 -4.331 383 HH11 ARG 51 HH22 ARG 51 11.873 13.145 -5.692 384 HH12 ARG 51 HH21 ARG 51 12.840 11.724 -5.909 385 HH21 ARG 51 HH12 ARG 51 10.416 9.518 -4.618 386 HH22 ARG 51 HH11 ARG 51 12.006 9.647 -5.294 387 H ASP 52 H ASP 52 4.961 11.748 -7.027 388 HA ASP 52 HA ASP 52 2.989 10.655 -5.176 389 HB2 ASP 52 HB2 ASP 52 1.849 11.879 -6.939 390 HB3 ASP 52 HB3 ASP 52 2.854 11.156 -8.178 391 H VAL 53 H VAL 53 5.078 10.096 -8.094 392 HA VAL 53 HA VAL 53 4.725 7.368 -8.328 393 HB VAL 53 HB VAL 53 7.241 8.958 -8.859 394 HG11 VAL 53 HG11 VAL 53 6.316 6.227 -9.545 395 HG12 VAL 53 HG12 VAL 53 7.042 7.154 -10.879 396 HG13 VAL 53 HG13 VAL 53 7.965 6.877 -9.382 397 HG21 VAL 53 HG21 VAL 53 5.952 8.814 -11.262 398 HG22 VAL 53 HG22 VAL 53 4.581 9.012 -10.144 399 HG23 VAL 53 HG23 VAL 53 5.893 10.214 -10.163 400 H LYS 54 H LYS 54 6.253 9.224 -5.815 401 HA LYS 54 HA LYS 54 8.125 7.278 -4.986 402 HB2 LYS 54 HB2 LYS 54 8.423 9.581 -4.374 403 HB3 LYS 54 HB3 LYS 54 6.853 9.650 -3.599 404 HG2 LYS 54 HG2 LYS 54 7.954 7.535 -2.241 405 HG3 LYS 54 HG3 LYS 54 9.407 8.442 -2.613 406 HD2 LYS 54 HD2 LYS 54 8.506 10.455 -1.540 407 HD3 LYS 54 HD3 LYS 54 6.937 9.701 -1.334 408 HE2 LYS 54 HE2 LYS 54 7.969 7.979 0.172 409 HE3 LYS 54 HE3 LYS 54 9.532 8.748 -0.026 410 HZ1 LYS 54 HZ1 LYS 54 8.030 9.376 1.941 411 HZ2 LYS 54 HZ2 LYS 54 8.869 10.550 1.177 412 HZ3 LYS 54 HZ3 LYS 54 7.277 10.354 0.871 413 H VAL 55 H VAL 55 4.677 7.955 -4.241 414 HA VAL 55 HA VAL 55 4.600 5.930 -2.214 415 HB VAL 55 HB VAL 55 3.243 8.001 -2.190 416 HG11 VAL 55 HG11 VAL 55 2.363 6.942 -4.792 417 HG12 VAL 55 HG12 VAL 55 1.031 7.472 -3.737 418 HG13 VAL 55 HG13 VAL 55 2.337 8.605 -4.160 419 HG21 VAL 55 HG21 VAL 55 1.283 6.997 -1.281 420 HG22 VAL 55 HG22 VAL 55 1.470 5.546 -2.294 421 HG23 VAL 55 HG23 VAL 55 2.621 5.863 -0.975 422 H SER 56 H SER 56 4.171 6.167 -5.710 423 HA SER 56 HA SER 56 2.564 3.923 -6.024 424 HB2 SER 56 HB2 SER 56 3.501 5.863 -7.685 425 HB3 SER 56 HB3 SER 56 4.593 4.569 -8.134 426 HG SER 56 HG SER 56 1.882 3.811 -7.931 427 H LEU 57 H LEU 57 6.165 4.376 -6.259 428 HA LEU 57 HA LEU 57 6.619 1.588 -6.610 429 HB2 LEU 57 HB2 LEU 57 8.089 3.238 -7.577 430 HB3 LEU 57 HB3 LEU 57 8.451 3.909 -5.999 431 HG LEU 57 HG LEU 57 9.055 1.022 -6.341 432 HD11 LEU 57 HD11 LEU 57 9.706 2.398 -8.509 433 HD12 LEU 57 HD12 LEU 57 11.080 2.891 -7.490 434 HD13 LEU 57 HD13 LEU 57 10.789 1.166 -7.818 435 HD21 LEU 57 HD21 LEU 57 10.218 1.425 -4.499 436 HD22 LEU 57 HD22 LEU 57 11.228 2.606 -5.367 437 HD23 LEU 57 HD23 LEU 57 9.728 3.135 -4.569 438 H PHE 58 H PHE 58 7.221 3.920 -3.887 439 HA PHE 58 HA PHE 58 8.196 2.227 -2.040 440 HB2 PHE 58 HB2 PHE 58 7.797 4.673 -1.744 441 HB3 PHE 58 HB3 PHE 58 6.064 4.434 -1.838 442 HD1 PHE 58 HD1 PHE 58 9.037 4.001 0.272 443 HD2 PHE 58 HD2 PHE 58 4.813 3.660 0.067 444 HE1 PHE 58 HE1 PHE 58 8.935 3.769 2.770 445 HE2 PHE 58 HE2 PHE 58 4.710 3.427 2.565 446 HZ PHE 58 HZ PHE 58 6.772 3.485 3.886 447 H THR 59 H THR 59 4.739 2.619 -2.990 448 HA THR 59 HA THR 59 3.790 0.850 -0.965 449 HB THR 59 HB THR 59 2.571 1.966 -3.545 450 HG1 THR 59 HG1 THR 59 1.743 3.481 -1.949 451 HG21 THR 59 HG21 THR 59 1.116 0.929 -1.069 452 HG22 THR 59 HG22 THR 59 0.415 1.374 -2.643 453 HG23 THR 59 HG23 THR 59 1.394 -0.105 -2.491 454 H ALA 60 H ALA 60 4.218 0.503 -4.552 455 HA ALA 60 HA ALA 60 3.426 -2.072 -4.815 456 HB1 ALA 60 HB1 ALA 60 4.752 -2.106 -6.812 457 HB2 ALA 60 HB2 ALA 60 4.233 -0.419 -6.578 458 HB3 ALA 60 HB3 ALA 60 5.892 -0.907 -6.155 459 H PHE 61 H PHE 61 6.578 -0.839 -3.577 460 HA PHE 61 HA PHE 61 7.735 -3.412 -3.379 461 HB2 PHE 61 HB2 PHE 61 8.468 -0.699 -3.177 462 HB3 PHE 61 HB3 PHE 61 8.581 -1.227 -1.510 463 HD1 PHE 61 HD2 PHE 61 9.620 -2.398 -4.905 464 HD2 PHE 61 HD1 PHE 61 10.610 -2.045 -0.794 465 HE1 PHE 61 HE2 PHE 61 11.885 -3.374 -5.367 466 HE2 PHE 61 HE1 PHE 61 12.876 -3.021 -1.256 467 HZ PHE 61 HZ PHE 61 13.487 -3.673 -3.537 468 H PHE 62 H PHE 62 6.010 -1.219 -1.084 469 HA PHE 62 HA PHE 62 6.479 -2.709 1.210 470 HB2 PHE 62 HB2 PHE 62 5.245 -0.350 0.492 471 HB3 PHE 62 HB3 PHE 62 3.820 -1.345 0.717 472 HD1 PHE 62 HD2 PHE 62 6.886 -0.157 2.437 473 HD2 PHE 62 HD1 PHE 62 2.979 -1.757 2.868 474 HE1 PHE 62 HE2 PHE 62 6.991 0.252 4.912 475 HE2 PHE 62 HE1 PHE 62 3.084 -1.347 5.342 476 HZ PHE 62 HZ PHE 62 5.089 -0.347 6.334 477 H LEU 63 H LEU 63 3.461 -2.626 -0.830 478 HA LEU 63 HA LEU 63 2.241 -4.752 0.475 479 HB2 LEU 63 HB2 LEU 63 1.547 -2.933 -1.424 480 HB3 LEU 63 HB3 LEU 63 1.647 -4.391 -2.390 481 HG LEU 63 HG LEU 63 0.132 -5.447 -0.555 482 HD11 LEU 63 HD11 LEU 63 -1.423 -3.287 0.109 483 HD12 LEU 63 HD12 LEU 63 -0.253 -4.093 1.182 484 HD13 LEU 63 HD13 LEU 63 0.225 -2.635 0.279 485 HD21 LEU 63 HD21 LEU 63 -1.447 -5.330 -2.119 486 HD22 LEU 63 HD22 LEU 63 -1.588 -3.563 -1.956 487 HD23 LEU 63 HD23 LEU 63 -0.346 -4.262 -3.022 488 H ALA 64 H ALA 64 4.546 -4.633 -2.273 489 HA ALA 64 HA ALA 64 4.309 -7.247 -3.124 490 HB1 ALA 64 HB1 ALA 64 5.576 -5.792 -4.463 491 HB2 ALA 64 HB2 ALA 64 6.542 -5.209 -3.086 492 HB3 ALA 64 HB3 ALA 64 6.815 -6.844 -3.736 493 H THR 65 H THR 65 6.312 -5.821 -0.471 494 HA THR 65 HA THR 65 7.510 -8.308 0.209 495 HB THR 65 HB THR 65 7.262 -5.547 1.481 496 HG1 THR 65 HG1 THR 65 9.462 -7.252 0.559 497 HG21 THR 65 HG21 THR 65 8.938 -7.903 2.487 498 HG22 THR 65 HG22 THR 65 8.898 -6.259 3.167 499 HG23 THR 65 HG23 THR 65 7.472 -7.315 3.306 500 H ILE 66 H ILE 66 4.503 -6.641 1.115 501 HA ILE 66 HA ILE 66 4.005 -8.171 3.418 502 HB ILE 66 HB ILE 66 2.300 -6.535 1.561 503 HG12 ILE 66 HG12 ILE 66 3.974 -5.467 3.131 504 HG13 ILE 66 HG13 ILE 66 2.317 -4.913 3.271 505 HG21 ILE 66 HG21 ILE 66 0.549 -6.774 3.436 506 HG22 ILE 66 HG22 ILE 66 0.714 -8.095 2.255 507 HG23 ILE 66 HG23 ILE 66 1.433 -8.255 3.876 508 HD11 ILE 66 HD11 ILE 66 2.016 -6.638 5.154 509 HD12 ILE 66 HD12 ILE 66 3.782 -6.855 5.103 510 HD13 ILE 66 HD13 ILE 66 3.091 -5.267 5.518 511 H MET 67 H MET 67 2.467 -8.405 0.128 512 HA MET 67 HA MET 67 1.300 -10.852 0.660 513 HB2 MET 67 HB2 MET 67 1.715 -9.026 -1.608 514 HB3 MET 67 HB3 MET 67 1.839 -10.689 -2.147 515 HG2 MET 67 HG2 MET 67 -0.481 -10.234 -2.339 516 HG3 MET 67 HG3 MET 67 -0.373 -11.098 -0.818 517 HE1 MET 67 HE1 MET 67 -2.435 -9.046 1.229 518 HE2 MET 67 HE2 MET 67 -1.839 -10.610 0.623 519 HE3 MET 67 HE3 MET 67 -0.840 -9.648 1.738 520 H GLY 68 H GLY 68 4.429 -10.005 -0.947 521 HA2 GLY 68 HA2 GLY 68 6.299 -11.469 -0.442 522 HA3 GLY 68 HA3 GLY 68 5.224 -12.839 -0.641 523 H VAL 69 H VAL 69 5.055 -9.947 -2.736 524 HA VAL 69 HA VAL 69 4.927 -11.203 -5.098 525 HB VAL 69 HB VAL 69 5.896 -8.567 -4.164 526 HG11 VAL 69 HG11 VAL 69 6.278 -8.043 -6.725 527 HG12 VAL 69 HG12 VAL 69 7.603 -8.663 -5.710 528 HG13 VAL 69 HG13 VAL 69 6.715 -9.767 -6.789 529 HG21 VAL 69 HG21 VAL 69 3.519 -9.602 -5.118 530 HG22 VAL 69 HG22 VAL 69 3.924 -7.874 -4.982 531 HG23 VAL 69 HG23 VAL 69 4.163 -8.725 -6.527 532 H ARG 70 H ARG 70 7.801 -10.791 -3.053 533 HA ARG 70 HA ARG 70 9.806 -11.111 -4.776 534 HB2 ARG 70 HB2 ARG 70 9.838 -10.987 -2.186 535 HB3 ARG 70 HB3 ARG 70 9.634 -12.727 -2.191 536 HG2 ARG 70 HG2 ARG 70 11.959 -12.599 -2.133 537 HG3 ARG 70 HG3 ARG 70 11.706 -12.677 -3.865 538 HD2 ARG 70 HD2 ARG 70 12.840 -10.714 -4.041 539 HD3 ARG 70 HD3 ARG 70 11.478 -9.925 -3.271 540 HE ARG 70 HE ARG 70 13.258 -11.179 -1.331 541 HH11 ARG 70 HH22 ARG 70 12.765 -8.303 -3.298 542 HH12 ARG 70 HH21 ARG 70 13.702 -7.278 -2.262 543 HH21 ARG 70 HH12 ARG 70 14.494 -9.827 0.036 544 HH22 ARG 70 HH11 ARG 70 14.692 -8.151 -0.353 545 H PHE 71 H PHE 71 11.003 -12.957 -5.667 546 HA PHE 71 HA PHE 71 9.652 -14.771 -7.044 547 HB2 PHE 71 HB2 PHE 71 12.185 -14.296 -6.903 548 HB3 PHE 71 HB3 PHE 71 12.242 -15.301 -5.469 549 HD1 PHE 71 HD2 PHE 71 11.462 -15.370 -9.093 550 HD2 PHE 71 HD1 PHE 71 12.461 -17.635 -5.647 551 HE1 PHE 71 HE2 PHE 71 11.818 -17.398 -10.529 552 HE2 PHE 71 HE1 PHE 71 12.816 -19.663 -7.082 553 HZ PHE 71 HZ PHE 71 12.491 -19.520 -9.506 554 H LYS 72 H LYS 72 10.992 -15.433 -3.726 555 HA LYS 72 HA LYS 72 10.298 -16.790 -2.124 556 HB2 LYS 72 HB2 LYS 72 7.903 -16.018 -3.376 557 HB3 LYS 72 HB3 LYS 72 7.777 -17.756 -3.194 558 HG2 LYS 72 HG2 LYS 72 8.847 -17.034 -0.742 559 HG3 LYS 72 HG3 LYS 72 7.857 -15.635 -1.106 560 HD2 LYS 72 HD2 LYS 72 5.874 -17.073 -1.447 561 HD3 LYS 72 HD3 LYS 72 6.845 -18.515 -1.225 562 HE2 LYS 72 HE2 LYS 72 6.755 -16.393 0.946 563 HE3 LYS 72 HE3 LYS 72 5.461 -17.568 0.812 564 HZ1 LYS 72 HZ1 LYS 72 7.530 -19.165 0.681 565 HZ2 LYS 72 HZ2 LYS 72 8.213 -17.973 1.564 566 HZ3 LYS 72 HZ3 LYS 72 6.865 -18.719 2.104 567 H ARG 73 H ARG 73 8.642 -18.487 -4.853 568 HA ARG 73 HA ARG 73 10.792 -20.237 -5.246 569 HB2 ARG 73 HB2 ARG 73 9.463 -20.916 -2.967 570 HB3 ARG 73 HB3 ARG 73 8.440 -21.745 -4.122 571 HG2 ARG 73 HG2 ARG 73 11.084 -22.341 -4.952 572 HG3 ARG 73 HG3 ARG 73 11.137 -22.441 -3.203 573 HD2 ARG 73 HD2 ARG 73 8.722 -23.713 -4.367 574 HD3 ARG 73 HD3 ARG 73 10.217 -24.449 -4.911 575 HE ARG 73 HE ARG 73 10.534 -24.140 -2.143 576 HH11 ARG 73 HH22 ARG 73 8.265 -25.794 -4.264 577 HH12 ARG 73 HH21 ARG 73 7.909 -27.044 -3.120 578 HH21 ARG 73 HH12 ARG 73 10.064 -25.790 -0.632 579 HH22 ARG 73 HH11 ARG 73 8.939 -27.042 -1.040 580 H SER 74 H SER 74 7.144 -20.276 -5.178 581 HA SER 74 HA SER 74 7.157 -20.315 -8.046 582 HB2 SER 74 HB2 SER 74 6.996 -22.759 -6.668 583 HB3 SER 74 HB3 SER 74 5.324 -22.385 -7.036 584 HG SER 74 HG SER 74 6.925 -23.539 -8.687 585 H LYS 75 H LYS 75 4.551 -20.615 -8.679 586 HA LYS 75 HA LYS 75 2.500 -19.795 -8.530 587 HB2 LYS 75 HB2 LYS 75 3.146 -20.305 -5.812 588 HB3 LYS 75 HB3 LYS 75 2.367 -18.736 -5.856 589 HG2 LYS 75 HG2 LYS 75 0.451 -20.015 -5.812 590 HG3 LYS 75 HG3 LYS 75 0.701 -20.047 -7.546 591 HD2 LYS 75 HD2 LYS 75 0.852 -22.306 -7.449 592 HD3 LYS 75 HD3 LYS 75 2.329 -22.142 -6.520 593 HE2 LYS 75 HE2 LYS 75 0.333 -21.645 -4.614 594 HE3 LYS 75 HE3 LYS 75 -0.384 -22.893 -5.613 595 HZ1 LYS 75 HZ1 LYS 75 1.393 -24.309 -5.186 596 HZ2 LYS 75 HZ2 LYS 75 2.355 -23.126 -4.603 597 HZ3 LYS 75 HZ3 LYS 75 1.070 -23.636 -3.734 598 H LYS 76 H LYS 76 4.062 -18.293 -9.930 599 HA LYS 76 HA LYS 76 4.336 -15.666 -8.758 600 HB2 LYS 76 HB2 LYS 76 5.537 -15.109 -10.759 601 HB3 LYS 76 HB3 LYS 76 6.108 -16.661 -10.183 602 HG2 LYS 76 HG2 LYS 76 4.051 -17.454 -11.848 603 HG3 LYS 76 HG3 LYS 76 4.593 -16.001 -12.665 604 HD2 LYS 76 HD2 LYS 76 6.680 -16.886 -13.177 605 HD3 LYS 76 HD3 LYS 76 6.746 -17.868 -11.727 606 HE2 LYS 76 HE2 LYS 76 4.796 -19.247 -12.830 607 HE3 LYS 76 HE3 LYS 76 5.262 -18.443 -14.317 608 HZ1 LYS 76 HZ1 LYS 76 7.010 -20.085 -12.620 609 HZ2 LYS 76 HZ2 LYS 76 6.441 -20.477 -14.100 610 HZ3 LYS 76 HZ3 LYS 76 7.519 -19.262 -13.935 611 H ILE 77 H ILE 77 1.703 -16.298 -8.584 612 HA ILE 77 HA ILE 77 0.510 -14.908 -10.880 613 HB ILE 77 HB ILE 77 -1.607 -16.022 -10.115 614 HG12 ILE 77 HG12 ILE 77 0.314 -17.655 -8.430 615 HG13 ILE 77 HG13 ILE 77 -0.926 -16.573 -7.829 616 HG21 ILE 77 HG21 ILE 77 0.119 -18.290 -10.815 617 HG22 ILE 77 HG22 ILE 77 -1.261 -17.577 -11.684 618 HG23 ILE 77 HG23 ILE 77 0.358 -16.853 -11.838 619 HD11 ILE 77 HD11 ILE 77 -2.025 -18.640 -7.725 620 HD12 ILE 77 HD12 ILE 77 -2.554 -18.047 -9.317 621 HD13 ILE 77 HD13 ILE 77 -1.242 -19.244 -9.205 622 H MET 78 H MET 78 1.377 -14.750 -7.543 623 HA MET 78 HA MET 78 -0.738 -13.015 -6.788 624 HB2 MET 78 HB2 MET 78 1.467 -14.445 -5.557 625 HB3 MET 78 HB3 MET 78 1.604 -12.762 -5.088 626 HG2 MET 78 HG2 MET 78 0.118 -13.403 -3.442 627 HG3 MET 78 HG3 MET 78 -1.067 -13.074 -4.691 628 HE1 MET 78 HE1 MET 78 0.379 -17.170 -3.225 629 HE2 MET 78 HE2 MET 78 1.530 -15.998 -3.911 630 HE3 MET 78 HE3 MET 78 0.614 -15.590 -2.440 631 HA PRO 79 HA PRO 79 2.737 -9.834 -7.393 632 HB2 PRO 79 HB2 PRO 79 5.012 -10.552 -8.725 633 HB3 PRO 79 HB3 PRO 79 4.889 -10.539 -6.977 634 HG2 PRO 79 HG2 PRO 79 4.889 -12.852 -8.818 635 HG3 PRO 79 HG3 PRO 79 5.193 -12.823 -7.092 636 HD2 PRO 79 HD2 PRO 79 2.787 -13.681 -8.397 637 HD3 PRO 79 HD3 PRO 79 3.050 -13.541 -6.670 638 H ALA 80 H ALA 80 4.159 -8.876 -9.523 639 HA ALA 80 HA ALA 80 4.017 -8.389 -11.710 640 HB1 ALA 80 HB1 ALA 80 3.023 -10.859 -11.831 641 HB2 ALA 80 HB2 ALA 80 1.506 -9.979 -12.139 642 HB3 ALA 80 HB3 ALA 80 2.904 -9.746 -13.215 643 H GLY 81 H GLY 81 0.804 -8.768 -10.065 644 HA2 GLY 81 HA2 GLY 81 -0.393 -6.545 -11.337 645 HA3 GLY 81 HA3 GLY 81 -0.939 -7.357 -9.883 646 H LEU 82 H LEU 82 1.693 -6.943 -8.461 647 HA LEU 82 HA LEU 82 1.063 -4.586 -7.152 648 HB2 LEU 82 HB2 LEU 82 3.046 -6.656 -7.033 649 HB3 LEU 82 HB3 LEU 82 3.828 -5.099 -6.840 650 HG LEU 82 HG LEU 82 3.313 -5.887 -4.668 651 HD11 LEU 82 HD11 LEU 82 2.136 -3.502 -5.695 652 HD12 LEU 82 HD12 LEU 82 1.043 -4.179 -4.465 653 HD13 LEU 82 HD13 LEU 82 2.741 -3.836 -4.055 654 HD21 LEU 82 HD21 LEU 82 1.756 -7.609 -4.995 655 HD22 LEU 82 HD22 LEU 82 0.887 -6.390 -4.032 656 HD23 LEU 82 HD23 LEU 82 0.582 -6.524 -5.780 657 H VAL 83 H VAL 83 4.110 -5.055 -9.063 658 HA VAL 83 HA VAL 83 4.609 -2.364 -9.368 659 HB VAL 83 HB VAL 83 5.352 -4.748 -11.069 660 HG11 VAL 83 HG11 VAL 83 6.763 -2.070 -11.072 661 HG12 VAL 83 HG12 VAL 83 6.995 -3.448 -12.174 662 HG13 VAL 83 HG13 VAL 83 5.497 -2.490 -12.250 663 HG21 VAL 83 HG21 VAL 83 7.591 -3.801 -9.699 664 HG22 VAL 83 HG22 VAL 83 6.269 -3.690 -8.512 665 HG23 VAL 83 HG23 VAL 83 6.629 -5.245 -9.300 666 H ALA 84 H ALA 84 2.876 -4.649 -11.587 667 HA ALA 84 HA ALA 84 2.393 -2.970 -13.668 668 HB1 ALA 84 HB1 ALA 84 0.714 -5.148 -12.382 669 HB2 ALA 84 HB2 ALA 84 0.247 -4.355 -13.905 670 HB3 ALA 84 HB3 ALA 84 1.772 -5.267 -13.808 671 H GLY 85 H GLY 85 0.904 -3.007 -10.424 672 HA2 GLY 85 HA2 GLY 85 -1.234 -1.228 -11.088 673 HA3 GLY 85 HA3 GLY 85 -0.696 -1.708 -9.491 674 H LEU 86 H LEU 86 1.955 -0.881 -9.372 675 HA LEU 86 HA LEU 86 1.782 1.742 -8.685 676 HB2 LEU 86 HB2 LEU 86 3.895 1.472 -8.072 677 HB3 LEU 86 HB3 LEU 86 3.666 -0.197 -8.554 678 HG LEU 86 HG LEU 86 4.549 0.456 -10.847 679 HD11 LEU 86 HD11 LEU 86 4.532 3.064 -9.594 680 HD12 LEU 86 HD12 LEU 86 6.164 2.638 -10.163 681 HD13 LEU 86 HD13 LEU 86 4.793 2.616 -11.297 682 HD21 LEU 86 HD21 LEU 86 5.900 -0.809 -9.297 683 HD22 LEU 86 HD22 LEU 86 6.913 0.409 -10.107 684 HD23 LEU 86 HD23 LEU 86 6.368 0.675 -8.433 685 H SER 87 H SER 87 2.708 0.339 -11.879 686 HA SER 87 HA SER 87 3.276 2.839 -13.004 687 HB2 SER 87 HB2 SER 87 3.156 0.037 -13.856 688 HB3 SER 87 HB3 SER 87 2.530 1.099 -15.101 689 HG SER 87 HG SER 87 4.574 2.411 -14.688 690 H LEU 88 H LEU 88 0.413 0.610 -13.179 691 HA LEU 88 HA LEU 88 -1.145 2.089 -14.880 692 HB2 LEU 88 HB2 LEU 88 -1.419 -0.144 -13.155 693 HB3 LEU 88 HB3 LEU 88 -2.766 0.927 -12.824 694 HG LEU 88 HG LEU 88 -3.352 -0.740 -14.498 695 HD11 LEU 88 HD11 LEU 88 -4.052 1.824 -14.569 696 HD12 LEU 88 HD12 LEU 88 -3.220 1.745 -16.141 697 HD13 LEU 88 HD13 LEU 88 -4.588 0.658 -15.802 698 HD21 LEU 88 HD21 LEU 88 -0.897 -0.812 -15.368 699 HD22 LEU 88 HD22 LEU 88 -2.245 -1.126 -16.487 700 HD23 LEU 88 HD23 LEU 88 -1.446 0.465 -16.481 701 H MET 89 H MET 89 -0.248 2.704 -11.518 702 HA MET 89 HA MET 89 -2.346 4.567 -11.101 703 HB2 MET 89 HB2 MET 89 -0.658 3.139 -9.470 704 HB3 MET 89 HB3 MET 89 0.199 4.668 -9.486 705 HG2 MET 89 HG2 MET 89 -2.678 4.174 -8.599 706 HG3 MET 89 HG3 MET 89 -1.341 4.723 -7.609 707 HE1 MET 89 HE1 MET 89 0.148 6.500 -8.444 708 HE2 MET 89 HE2 MET 89 -0.180 7.407 -9.940 709 HE3 MET 89 HE3 MET 89 -0.580 8.122 -8.360 710 H MET 90 H MET 90 1.275 4.945 -11.286 711 HA MET 90 HA MET 90 1.441 7.598 -11.304 712 HB2 MET 90 HB2 MET 90 3.394 6.081 -11.447 713 HB3 MET 90 HB3 MET 90 2.933 5.573 -13.060 714 HG2 MET 90 HG2 MET 90 3.073 8.363 -13.305 715 HG3 MET 90 HG3 MET 90 4.388 8.003 -12.204 716 HE1 MET 90 HE1 MET 90 5.537 5.560 -12.605 717 HE2 MET 90 HE2 MET 90 6.463 5.367 -14.113 718 HE3 MET 90 HE3 MET 90 6.737 6.788 -13.076 719 H ILE 91 H ILE 91 0.344 5.529 -14.010 720 HA ILE 91 HA ILE 91 0.313 7.725 -15.859 721 HB ILE 91 HB ILE 91 0.795 5.348 -16.452 722 HG12 ILE 91 HG12 ILE 91 -1.413 5.806 -18.250 723 HG13 ILE 91 HG13 ILE 91 -0.653 7.336 -17.858 724 HG21 ILE 91 HG21 ILE 91 -2.185 4.998 -16.021 725 HG22 ILE 91 HG22 ILE 91 -1.094 3.816 -16.782 726 HG23 ILE 91 HG23 ILE 91 -0.881 4.248 -15.069 727 HD11 ILE 91 HD11 ILE 91 1.412 6.715 -18.767 728 HD12 ILE 91 HD12 ILE 91 1.120 4.979 -18.507 729 HD13 ILE 91 HD13 ILE 91 0.294 5.831 -19.834 730 H LEU 92 H LEU 92 -2.078 5.801 -13.949 731 HA LEU 92 HA LEU 92 -4.375 6.934 -14.921 732 HB2 LEU 92 HB2 LEU 92 -4.849 5.210 -13.564 733 HB3 LEU 92 HB3 LEU 92 -3.525 5.549 -12.467 734 HG LEU 92 HG LEU 92 -5.966 7.313 -12.495 735 HD11 LEU 92 HD11 LEU 92 -5.902 5.119 -10.505 736 HD12 LEU 92 HD12 LEU 92 -7.276 5.889 -11.333 737 HD13 LEU 92 HD13 LEU 92 -6.306 4.657 -12.176 738 HD21 LEU 92 HD21 LEU 92 -3.596 7.539 -11.178 739 HD22 LEU 92 HD22 LEU 92 -5.141 8.219 -10.614 740 HD23 LEU 92 HD23 LEU 92 -4.573 6.656 -9.981 741 H ARG 93 H ARG 93 -1.835 8.354 -12.948 742 HA ARG 93 HA ARG 93 -3.560 10.522 -12.187 743 HB2 ARG 93 HB2 ARG 93 -0.856 9.518 -11.412 744 HB3 ARG 93 HB3 ARG 93 -1.010 11.263 -11.392 745 HG2 ARG 93 HG2 ARG 93 -3.251 9.705 -10.136 746 HG3 ARG 93 HG3 ARG 93 -1.718 9.694 -9.286 747 HD2 ARG 93 HD2 ARG 93 -2.257 11.728 -8.429 748 HD3 ARG 93 HD3 ARG 93 -2.073 12.399 -10.037 749 HE ARG 93 HE ARG 93 -4.653 11.236 -9.945 750 HH11 ARG 93 HH22 ARG 93 -2.907 13.843 -8.352 751 HH12 ARG 93 HH21 ARG 93 -4.329 14.784 -8.052 752 HH21 ARG 93 HH12 ARG 93 -6.530 12.477 -9.548 753 HH22 ARG 93 HH11 ARG 93 -6.404 14.002 -8.737 754 H LEU 94 H LEU 94 -0.579 9.888 -14.152 755 HA LEU 94 HA LEU 94 -0.281 12.548 -15.018 756 HB2 LEU 94 HB2 LEU 94 1.124 10.144 -15.184 757 HB3 LEU 94 HB3 LEU 94 0.745 10.544 -16.848 758 HG LEU 94 HG LEU 94 1.656 12.951 -15.723 759 HD11 LEU 94 HD11 LEU 94 2.571 10.971 -14.036 760 HD12 LEU 94 HD12 LEU 94 3.931 11.199 -15.162 761 HD13 LEU 94 HD13 LEU 94 3.291 12.586 -14.248 762 HD21 LEU 94 HD21 LEU 94 3.291 12.860 -17.383 763 HD22 LEU 94 HD22 LEU 94 3.401 11.085 -17.319 764 HD23 LEU 94 HD23 LEU 94 1.969 11.862 -18.035 765 H VAL 95 H VAL 95 -2.679 10.209 -15.665 766 HA VAL 95 HA VAL 95 -3.175 10.465 -18.347 767 HB VAL 95 HB VAL 95 -4.784 9.922 -15.903 768 HG11 VAL 95 HG11 VAL 95 -6.444 11.199 -16.946 769 HG12 VAL 95 HG12 VAL 95 -5.953 10.686 -18.578 770 HG13 VAL 95 HG13 VAL 95 -6.789 9.543 -17.499 771 HG21 VAL 95 HG21 VAL 95 -4.836 7.772 -16.682 772 HG22 VAL 95 HG22 VAL 95 -4.878 8.270 -18.390 773 HG23 VAL 95 HG23 VAL 95 -3.346 8.322 -17.485 774 H LEU 96 H LEU 96 -3.878 12.722 -15.653 775 HA LEU 96 HA LEU 96 -5.191 14.522 -17.530 776 HB2 LEU 96 HB2 LEU 96 -5.552 15.852 -15.386 777 HB3 LEU 96 HB3 LEU 96 -6.444 14.360 -15.607 778 HG LEU 96 HG LEU 96 -3.886 14.054 -14.161 779 HD11 LEU 96 HD11 LEU 96 -5.674 14.946 -12.163 780 HD12 LEU 96 HD12 LEU 96 -4.126 15.670 -12.662 781 HD13 LEU 96 HD13 LEU 96 -5.644 16.202 -13.424 782 HD21 LEU 96 HD21 LEU 96 -6.306 13.146 -12.834 783 HD22 LEU 96 HD22 LEU 96 -6.232 12.597 -14.526 784 HD23 LEU 96 HD23 LEU 96 -4.898 12.222 -13.410 785 H LEU 97 H LEU 97 -2.109 13.869 -16.046 786 HA LEU 97 HA LEU 97 -0.270 15.126 -15.767 787 HB2 LEU 97 HB2 LEU 97 -0.539 14.350 -18.226 788 HB3 LEU 97 HB3 LEU 97 -0.798 16.048 -18.575 789 HG LEU 97 HG LEU 97 1.645 15.127 -17.065 790 HD11 LEU 97 HD11 LEU 97 2.660 14.288 -18.863 791 HD12 LEU 97 HD12 LEU 97 1.045 14.207 -19.607 792 HD13 LEU 97 HD13 LEU 97 2.094 15.614 -19.907 793 HD21 LEU 97 HD21 LEU 97 0.749 17.629 -18.428 794 HD22 LEU 97 HD22 LEU 97 1.620 17.403 -16.892 795 HD23 LEU 97 HD23 LEU 97 2.484 17.230 -18.439 796 H LEU 98 H LEU 98 -2.500 16.447 -14.623 797 HA LEU 98 HA LEU 98 -2.267 19.204 -15.516 798 HB2 LEU 98 HB2 LEU 98 -4.103 17.743 -13.634 799 HB3 LEU 98 HB3 LEU 98 -4.034 19.493 -13.677 800 HG LEU 98 HG LEU 98 -4.807 17.657 -15.960 801 HD11 LEU 98 HD11 LEU 98 -6.836 19.522 -15.421 802 HD12 LEU 98 HD12 LEU 98 -6.843 17.773 -15.086 803 HD13 LEU 98 HD13 LEU 98 -6.301 18.917 -13.835 804 HD21 LEU 98 HD21 LEU 98 -5.419 19.885 -17.078 805 HD22 LEU 98 HD22 LEU 98 -4.320 20.631 -15.894 806 HD23 LEU 98 HD23 LEU 98 -3.703 19.414 -17.037 807 H LEU 99 H LEU 99 -1.155 16.980 -13.012 808 HA LEU 99 HA LEU 99 -0.543 18.793 -11.014 809 HB2 LEU 99 HB2 LEU 99 0.135 16.955 -10.014 810 HB3 LEU 99 HB3 LEU 99 -0.252 16.081 -11.483 811 HG LEU 99 HG LEU 99 2.126 16.565 -12.258 812 HD11 LEU 99 HD11 LEU 99 3.101 16.850 -9.512 813 HD12 LEU 99 HD12 LEU 99 3.601 17.679 -11.006 814 HD13 LEU 99 HD13 LEU 99 2.190 18.265 -10.092 815 HD21 LEU 99 HD21 LEU 99 2.655 14.917 -9.950 816 HD22 LEU 99 HD22 LEU 99 1.055 14.538 -10.632 817 HD23 LEU 99 HD23 LEU 99 2.502 14.461 -11.664 Start of MODEL 3 1 H MET 1 H1 MET 1 -33.501 -24.606 -4.981 2 HA MET 1 HA MET 1 -34.300 -24.955 -2.873 3 HB2 MET 1 HB2 MET 1 -36.032 -22.870 -3.592 4 HB3 MET 1 HB3 MET 1 -37.139 -24.219 -3.423 5 HG2 MET 1 HG2 MET 1 -35.750 -24.632 -1.155 6 HG3 MET 1 HG3 MET 1 -35.388 -22.926 -1.330 7 HE1 MET 1 HE1 MET 1 -37.233 -21.429 0.430 8 HE2 MET 1 HE2 MET 1 -36.678 -21.170 -1.241 9 HE3 MET 1 HE3 MET 1 -38.407 -21.018 -0.843 10 H ASP 2 H ASP 2 -36.741 -25.270 -5.553 11 HA ASP 2 HA ASP 2 -36.449 -28.087 -5.465 12 HB2 ASP 2 HB2 ASP 2 -39.065 -26.786 -4.581 13 HB3 ASP 2 HB3 ASP 2 -38.953 -28.461 -5.082 14 H LEU 3 H LEU 3 -38.741 -25.382 -6.325 15 HA LEU 3 HA LEU 3 -39.404 -26.582 -8.830 16 HB2 LEU 3 HB2 LEU 3 -40.166 -24.179 -7.276 17 HB3 LEU 3 HB3 LEU 3 -40.319 -24.051 -9.017 18 HG LEU 3 HG LEU 3 -41.470 -26.500 -7.789 19 HD11 LEU 3 HD11 LEU 3 -41.964 -24.348 -6.318 20 HD12 LEU 3 HD12 LEU 3 -43.172 -24.056 -7.593 21 HD13 LEU 3 HD13 LEU 3 -43.215 -25.568 -6.655 22 HD21 LEU 3 HD21 LEU 3 -41.713 -24.957 -10.213 23 HD22 LEU 3 HD22 LEU 3 -42.303 -26.595 -9.842 24 HD23 LEU 3 HD23 LEU 3 -43.309 -25.179 -9.456 25 H ILE 4 H ILE 4 -37.488 -23.686 -7.776 26 HA ILE 4 HA ILE 4 -36.715 -22.750 -10.191 27 HB ILE 4 HB ILE 4 -36.076 -21.491 -8.389 28 HG12 ILE 4 HG12 ILE 4 -33.340 -22.533 -8.555 29 HG13 ILE 4 HG13 ILE 4 -34.091 -22.336 -10.126 30 HG21 ILE 4 HG21 ILE 4 -35.992 -22.463 -6.393 31 HG22 ILE 4 HG22 ILE 4 -35.641 -24.054 -7.109 32 HG23 ILE 4 HG23 ILE 4 -34.312 -22.922 -6.761 33 HD11 ILE 4 HD11 ILE 4 -34.406 -20.114 -8.108 34 HD12 ILE 4 HD12 ILE 4 -32.849 -20.295 -8.951 35 HD13 ILE 4 HD13 ILE 4 -34.341 -20.025 -9.884 36 H GLY 5 H GLY 5 -34.113 -24.464 -8.449 37 HA2 GLY 5 HA2 GLY 5 -32.765 -26.167 -9.070 38 HA3 GLY 5 HA3 GLY 5 -33.928 -26.632 -10.296 39 H PHE 6 H PHE 6 -34.093 -24.932 -12.225 40 HA PHE 6 HA PHE 6 -31.685 -24.981 -13.555 41 HB2 PHE 6 HB2 PHE 6 -34.315 -24.431 -14.106 42 HB3 PHE 6 HB3 PHE 6 -33.721 -22.784 -14.045 43 HD1 PHE 6 HD1 PHE 6 -33.280 -26.035 -15.759 44 HD2 PHE 6 HD2 PHE 6 -32.510 -21.862 -15.851 45 HE1 PHE 6 HE1 PHE 6 -32.482 -26.234 -18.130 46 HE2 PHE 6 HE2 PHE 6 -31.712 -22.062 -18.222 47 HZ PHE 6 HZ PHE 6 -31.707 -24.245 -19.334 48 H GLY 7 H GLY 7 -33.340 -22.086 -12.090 49 HA2 GLY 7 HA2 GLY 7 -31.595 -20.116 -12.572 50 HA3 GLY 7 HA3 GLY 7 -32.421 -20.298 -11.037 51 H TYR 8 H TYR 8 -31.280 -22.445 -9.789 52 HA TYR 8 HA TYR 8 -28.939 -21.452 -8.755 53 HB2 TYR 8 HB2 TYR 8 -30.659 -23.399 -8.116 54 HB3 TYR 8 HB3 TYR 8 -29.619 -24.425 -9.085 55 HD1 TYR 8 HD2 TYR 8 -27.240 -24.808 -8.383 56 HD2 TYR 8 HD1 TYR 8 -30.029 -22.715 -5.904 57 HE1 TYR 8 HE2 TYR 8 -25.728 -25.161 -6.370 58 HE2 TYR 8 HE1 TYR 8 -28.507 -23.075 -3.899 59 HH TYR 8 HH TYR 8 -25.326 -24.004 -4.197 60 H ALA 9 H ALA 9 -29.380 -23.984 -11.315 61 HA ALA 9 HA ALA 9 -26.608 -24.412 -11.633 62 HB1 ALA 9 HB1 ALA 9 -27.331 -26.068 -12.993 63 HB2 ALA 9 HB2 ALA 9 -28.963 -25.628 -12.438 64 HB3 ALA 9 HB3 ALA 9 -28.331 -24.957 -13.960 65 H ALA 10 H ALA 10 -28.917 -22.015 -12.828 66 HA ALA 10 HA ALA 10 -27.460 -21.208 -15.094 67 HB1 ALA 10 HB1 ALA 10 -29.916 -20.750 -14.383 68 HB2 ALA 10 HB2 ALA 10 -29.237 -19.413 -13.424 69 HB3 ALA 10 HB3 ALA 10 -29.020 -19.441 -15.191 70 H LEU 11 H LEU 11 -27.813 -19.564 -11.864 71 HA LEU 11 HA LEU 11 -25.779 -17.744 -12.283 72 HB2 LEU 11 HB2 LEU 11 -25.931 -17.267 -9.985 73 HB3 LEU 11 HB3 LEU 11 -27.543 -17.674 -10.538 74 HG LEU 11 HG LEU 11 -26.769 -20.104 -9.652 75 HD11 LEU 11 HD11 LEU 11 -25.720 -18.935 -7.289 76 HD12 LEU 11 HD12 LEU 11 -24.940 -20.086 -8.401 77 HD13 LEU 11 HD13 LEU 11 -24.753 -18.335 -8.657 78 HD21 LEU 11 HD21 LEU 11 -27.876 -17.928 -7.857 79 HD22 LEU 11 HD22 LEU 11 -28.817 -18.837 -9.064 80 HD23 LEU 11 HD23 LEU 11 -28.091 -19.686 -7.678 81 H VAL 12 H VAL 12 -25.702 -21.114 -11.041 82 HA VAL 12 HA VAL 12 -23.097 -21.136 -10.125 83 HB VAL 12 HB VAL 12 -25.009 -23.168 -11.205 84 HG11 VAL 12 HG11 VAL 12 -23.132 -24.235 -12.029 85 HG12 VAL 12 HG12 VAL 12 -22.060 -23.553 -10.783 86 HG13 VAL 12 HG13 VAL 12 -23.184 -24.869 -10.367 87 HG21 VAL 12 HG21 VAL 12 -25.374 -23.688 -9.028 88 HG22 VAL 12 HG22 VAL 12 -23.668 -23.464 -8.574 89 HG23 VAL 12 HG23 VAL 12 -24.734 -22.050 -8.754 90 H THR 13 H THR 13 -24.406 -21.818 -13.435 91 HA THR 13 HA THR 13 -21.901 -22.371 -14.583 92 HB THR 13 HB THR 13 -24.624 -21.480 -15.644 93 HG1 THR 13 HG1 THR 13 -22.955 -23.897 -15.629 94 HG21 THR 13 HG21 THR 13 -22.020 -22.053 -17.089 95 HG22 THR 13 HG22 THR 13 -23.548 -22.624 -17.801 96 HG23 THR 13 HG23 THR 13 -23.297 -20.886 -17.508 97 H PHE 14 H PHE 14 -23.666 -19.322 -13.982 98 HA PHE 14 HA PHE 14 -22.097 -17.719 -15.638 99 HB2 PHE 14 HB2 PHE 14 -24.335 -17.277 -14.370 100 HB3 PHE 14 HB3 PHE 14 -23.374 -17.054 -12.922 101 HD1 PHE 14 HD2 PHE 14 -23.567 -15.786 -16.429 102 HD2 PHE 14 HD1 PHE 14 -22.724 -14.911 -12.363 103 HE1 PHE 14 HE2 PHE 14 -23.244 -13.367 -17.017 104 HE2 PHE 14 HE1 PHE 14 -22.401 -12.492 -12.951 105 HZ PHE 14 HZ PHE 14 -22.665 -11.749 -15.270 106 H GLY 15 H GLY 15 -21.894 -18.262 -12.043 107 HA2 GLY 15 HA2 GLY 15 -19.549 -16.767 -11.671 108 HA3 GLY 15 HA3 GLY 15 -20.190 -18.000 -10.602 109 H SER 16 H SER 16 -20.137 -20.080 -12.839 110 HA SER 16 HA SER 16 -17.599 -21.067 -12.243 111 HB2 SER 16 HB2 SER 16 -20.003 -21.992 -13.494 112 HB3 SER 16 HB3 SER 16 -18.700 -22.304 -14.623 113 HG SER 16 HG SER 16 -19.289 -23.903 -12.729 114 H ILE 17 H ILE 17 -19.051 -19.612 -15.233 115 HA ILE 17 HA ILE 17 -16.667 -19.833 -16.736 116 HB ILE 17 HB ILE 17 -19.214 -18.259 -17.067 117 HG12 ILE 17 HG12 ILE 17 -18.161 -20.623 -18.640 118 HG13 ILE 17 HG13 ILE 17 -19.217 -20.785 -17.252 119 HG21 ILE 17 HG21 ILE 17 -18.322 -18.016 -19.487 120 HG22 ILE 17 HG22 ILE 17 -17.744 -16.893 -18.233 121 HG23 ILE 17 HG23 ILE 17 -16.720 -18.254 -18.749 122 HD11 ILE 17 HD11 ILE 17 -20.370 -18.776 -18.948 123 HD12 ILE 17 HD12 ILE 17 -19.929 -20.162 -19.973 124 HD13 ILE 17 HD13 ILE 17 -21.007 -20.396 -18.577 125 H PHE 18 H PHE 18 -18.346 -16.866 -15.462 126 HA PHE 18 HA PHE 18 -16.455 -15.042 -15.907 127 HB2 PHE 18 HB2 PHE 18 -18.703 -15.488 -14.159 128 HB3 PHE 18 HB3 PHE 18 -17.426 -14.868 -13.130 129 HD1 PHE 18 HD2 PHE 18 -19.370 -14.126 -16.198 130 HD2 PHE 18 HD1 PHE 18 -16.897 -12.576 -13.117 131 HE1 PHE 18 HE2 PHE 18 -19.898 -11.790 -16.950 132 HE2 PHE 18 HE1 PHE 18 -17.425 -10.240 -13.869 133 HZ PHE 18 HZ PHE 18 -18.919 -9.875 -15.776 134 H GLY 19 H GLY 19 -16.543 -17.227 -13.007 135 HA2 GLY 19 HA2 GLY 19 -14.430 -16.345 -11.575 136 HA3 GLY 19 HA3 GLY 19 -14.838 -18.039 -11.765 137 H TYR 20 H TYR 20 -14.179 -18.830 -14.230 138 HA TYR 20 HA TYR 20 -12.460 -19.477 -15.474 139 HB2 TYR 20 HB2 TYR 20 -12.613 -16.572 -15.388 140 HB3 TYR 20 HB3 TYR 20 -10.911 -16.988 -15.403 141 HD1 TYR 20 HD2 TYR 20 -10.052 -18.513 -17.283 142 HD2 TYR 20 HD1 TYR 20 -13.893 -16.629 -17.375 143 HE1 TYR 20 HE2 TYR 20 -10.163 -18.845 -19.801 144 HE2 TYR 20 HE1 TYR 20 -13.991 -16.968 -19.893 145 HH TYR 20 HH TYR 20 -11.212 -18.169 -21.658 146 H LYS 21 H LYS 21 -11.226 -20.963 -14.377 147 HA LYS 21 HA LYS 21 -9.870 -20.682 -12.083 148 HB2 LYS 21 HB2 LYS 21 -10.184 -22.720 -13.639 149 HB3 LYS 21 HB3 LYS 21 -8.684 -22.220 -14.394 150 HG2 LYS 21 HG2 LYS 21 -7.409 -22.600 -12.441 151 HG3 LYS 21 HG3 LYS 21 -8.792 -22.434 -11.378 152 HD2 LYS 21 HD2 LYS 21 -9.308 -24.650 -11.527 153 HD3 LYS 21 HD3 LYS 21 -9.162 -24.652 -13.273 154 HE2 LYS 21 HE2 LYS 21 -7.088 -25.580 -13.180 155 HE3 LYS 21 HE3 LYS 21 -6.522 -24.355 -12.062 156 HZ1 LYS 21 HZ1 LYS 21 -7.640 -25.616 -10.295 157 HZ2 LYS 21 HZ2 LYS 21 -8.000 -26.795 -11.366 158 HZ3 LYS 21 HZ3 LYS 21 -6.441 -26.459 -11.014 159 H ARG 22 H ARG 22 -7.582 -20.323 -11.522 160 HA ARG 22 HA ARG 22 -6.686 -17.923 -12.097 161 HB2 ARG 22 HB2 ARG 22 -5.117 -20.476 -11.549 162 HB3 ARG 22 HB3 ARG 22 -4.294 -18.934 -11.686 163 HG2 ARG 22 HG2 ARG 22 -4.727 -18.743 -9.448 164 HG3 ARG 22 HG3 ARG 22 -6.327 -18.249 -9.964 165 HD2 ARG 22 HD2 ARG 22 -6.112 -21.176 -9.920 166 HD3 ARG 22 HD3 ARG 22 -5.675 -20.499 -8.364 167 HE ARG 22 HE ARG 22 -8.113 -19.324 -9.491 168 HH11 ARG 22 HH22 ARG 22 -6.808 -21.953 -7.550 169 HH12 ARG 22 HH21 ARG 22 -8.302 -22.259 -6.729 170 HH21 ARG 22 HH12 ARG 22 -10.084 -19.726 -8.407 171 HH22 ARG 22 HH11 ARG 22 -10.178 -20.984 -7.220 172 H ARG 23 H ARG 23 -6.615 -17.035 -14.168 173 HA ARG 23 HA ARG 23 -5.709 -18.607 -16.340 174 HB2 ARG 23 HB2 ARG 23 -7.250 -16.252 -16.001 175 HB3 ARG 23 HB3 ARG 23 -5.816 -15.709 -16.849 176 HG2 ARG 23 HG2 ARG 23 -6.179 -17.662 -18.485 177 HG3 ARG 23 HG3 ARG 23 -7.731 -17.921 -17.714 178 HD2 ARG 23 HD2 ARG 23 -8.431 -16.469 -19.377 179 HD3 ARG 23 HD3 ARG 23 -7.993 -15.271 -18.175 180 HE ARG 23 HE ARG 23 -5.783 -16.089 -19.946 181 HH11 ARG 23 HH22 ARG 23 -8.406 -13.807 -19.402 182 HH12 ARG 23 HH21 ARG 23 -7.730 -12.589 -20.431 183 HH21 ARG 23 HH12 ARG 23 -4.891 -14.482 -21.303 184 HH22 ARG 23 HH11 ARG 23 -5.717 -12.975 -21.520 185 H GLY 24 H GLY 24 -4.559 -15.551 -14.719 186 HA2 GLY 24 HA2 GLY 24 -1.803 -16.370 -15.052 187 HA3 GLY 24 HA3 GLY 24 -2.281 -15.004 -16.040 188 H GLY 25 H GLY 25 -3.013 -16.104 -12.644 189 HA2 GLY 25 HA2 GLY 25 -2.297 -15.058 -10.704 190 HA3 GLY 25 HA3 GLY 25 -1.817 -13.642 -11.618 191 H VAL 26 H VAL 26 -4.500 -15.344 -10.041 192 HA VAL 26 HA VAL 26 -6.545 -13.603 -10.902 193 HB VAL 26 HB VAL 26 -6.169 -15.843 -9.067 194 HG11 VAL 26 HG11 VAL 26 -6.810 -14.297 -7.336 195 HG12 VAL 26 HG12 VAL 26 -8.145 -13.660 -8.327 196 HG13 VAL 26 HG13 VAL 26 -8.212 -15.328 -7.709 197 HG21 VAL 26 HG21 VAL 26 -8.526 -14.834 -10.696 198 HG22 VAL 26 HG22 VAL 26 -7.327 -16.048 -11.202 199 HG23 VAL 26 HG23 VAL 26 -8.444 -16.405 -9.863 200 HA PRO 27 HA PRO 27 -5.564 -11.375 -6.847 201 HB2 PRO 27 HB2 PRO 27 -3.314 -12.015 -5.433 202 HB3 PRO 27 HB3 PRO 27 -4.896 -12.676 -5.068 203 HG2 PRO 27 HG2 PRO 27 -2.603 -13.984 -6.398 204 HG3 PRO 27 HG3 PRO 27 -4.006 -14.722 -5.651 205 HD2 PRO 27 HD2 PRO 27 -3.532 -14.389 -8.461 206 HD3 PRO 27 HD3 PRO 27 -4.985 -15.021 -7.710 207 H SER 28 H SER 28 -5.051 -10.491 -9.239 208 HA SER 28 HA SER 28 -2.490 -9.149 -8.852 209 HB2 SER 28 HB2 SER 28 -2.043 -10.282 -10.810 210 HB3 SER 28 HB3 SER 28 -3.734 -10.421 -11.248 211 HG SER 28 HG SER 28 -1.994 -8.744 -12.301 212 H LEU 29 H LEU 29 -5.477 -8.750 -10.903 213 HA LEU 29 HA LEU 29 -5.470 -6.083 -11.185 214 HB2 LEU 29 HB2 LEU 29 -8.037 -6.323 -11.098 215 HB3 LEU 29 HB3 LEU 29 -7.120 -7.157 -12.336 216 HG LEU 29 HG LEU 29 -7.396 -8.878 -10.040 217 HD11 LEU 29 HD11 LEU 29 -9.920 -7.539 -11.008 218 HD12 LEU 29 HD12 LEU 29 -9.924 -9.173 -10.302 219 HD13 LEU 29 HD13 LEU 29 -9.351 -7.790 -9.340 220 HD21 LEU 29 HD21 LEU 29 -7.135 -9.191 -12.700 221 HD22 LEU 29 HD22 LEU 29 -7.763 -10.455 -11.616 222 HD23 LEU 29 HD23 LEU 29 -8.891 -9.435 -12.540 223 H ILE 30 H ILE 30 -7.169 -7.779 -8.450 224 HA ILE 30 HA ILE 30 -7.895 -5.567 -7.043 225 HB ILE 30 HB ILE 30 -8.749 -7.577 -6.318 226 HG12 ILE 30 HG12 ILE 30 -8.042 -7.847 -3.969 227 HG13 ILE 30 HG13 ILE 30 -6.609 -6.889 -4.282 228 HG21 ILE 30 HG21 ILE 30 -6.013 -8.585 -6.757 229 HG22 ILE 30 HG22 ILE 30 -6.872 -9.308 -5.376 230 HG23 ILE 30 HG23 ILE 30 -7.590 -9.374 -7.003 231 HD11 ILE 30 HD11 ILE 30 -9.397 -5.817 -4.865 232 HD12 ILE 30 HD12 ILE 30 -8.633 -5.651 -3.265 233 HD13 ILE 30 HD13 ILE 30 -7.880 -4.901 -4.693 234 H ALA 31 H ALA 31 -4.689 -7.181 -7.185 235 HA ALA 31 HA ALA 31 -3.487 -5.810 -5.096 236 HB1 ALA 31 HB1 ALA 31 -1.487 -6.681 -5.955 237 HB2 ALA 31 HB2 ALA 31 -2.706 -7.812 -6.591 238 HB3 ALA 31 HB3 ALA 31 -2.035 -6.542 -7.643 239 H GLY 32 H GLY 32 -3.662 -5.006 -8.633 240 HA2 GLY 32 HA2 GLY 32 -2.232 -2.604 -8.483 241 HA3 GLY 32 HA3 GLY 32 -3.381 -3.063 -9.724 242 H LEU 33 H LEU 33 -5.833 -3.131 -8.674 243 HA LEU 33 HA LEU 33 -6.626 -0.554 -8.425 244 HB2 LEU 33 HB2 LEU 33 -8.257 -2.121 -8.898 245 HB3 LEU 33 HB3 LEU 33 -7.803 -3.167 -7.566 246 HG LEU 33 HG LEU 33 -8.641 -0.760 -6.364 247 HD11 LEU 33 HD11 LEU 33 -11.009 -1.485 -7.935 248 HD12 LEU 33 HD12 LEU 33 -10.382 0.112 -7.461 249 HD13 LEU 33 HD13 LEU 33 -9.718 -0.717 -8.890 250 HD21 LEU 33 HD21 LEU 33 -10.631 -2.232 -5.701 251 HD22 LEU 33 HD22 LEU 33 -9.842 -3.511 -6.656 252 HD23 LEU 33 HD23 LEU 33 -9.000 -2.794 -5.261 253 H PHE 34 H PHE 34 -5.719 -2.833 -5.771 254 HA PHE 34 HA PHE 34 -6.357 -1.183 -3.656 255 HB2 PHE 34 HB2 PHE 34 -5.542 -3.668 -3.809 256 HB3 PHE 34 HB3 PHE 34 -3.916 -3.029 -3.937 257 HD1 PHE 34 HD2 PHE 34 -6.908 -2.888 -1.718 258 HD2 PHE 34 HD1 PHE 34 -2.680 -2.671 -2.008 259 HE1 PHE 34 HE2 PHE 34 -6.741 -2.810 0.785 260 HE2 PHE 34 HE1 PHE 34 -2.513 -2.592 0.496 261 HZ PHE 34 HZ PHE 34 -4.545 -2.663 1.862 262 H VAL 35 H VAL 35 -3.093 -1.640 -5.209 263 HA VAL 35 HA VAL 35 -1.705 0.197 -3.775 264 HB VAL 35 HB VAL 35 -1.537 -0.532 -6.702 265 HG11 VAL 35 HG11 VAL 35 -0.288 1.647 -5.503 266 HG12 VAL 35 HG12 VAL 35 0.949 0.368 -5.463 267 HG13 VAL 35 HG13 VAL 35 0.206 0.839 -7.010 268 HG21 VAL 35 HG21 VAL 35 -1.212 -2.207 -4.659 269 HG22 VAL 35 HG22 VAL 35 -0.177 -2.278 -6.106 270 HG23 VAL 35 HG23 VAL 35 0.407 -1.469 -4.632 271 H GLY 36 H GLY 36 -4.008 0.748 -6.470 272 HA2 GLY 36 HA2 GLY 36 -3.428 3.532 -6.728 273 HA3 GLY 36 HA3 GLY 36 -4.790 2.655 -7.396 274 H CYS 37 H CYS 37 -5.707 1.528 -4.804 275 HA CYS 37 HA CYS 37 -7.430 3.579 -4.073 276 HB2 CYS 37 HB2 CYS 37 -7.253 0.850 -3.602 277 HB3 CYS 37 HB3 CYS 37 -7.028 1.534 -2.005 278 HG CYS 37 HG CYS 37 -9.323 1.899 -1.592 279 H LEU 38 H LEU 38 -4.310 2.366 -2.736 280 HA LEU 38 HA LEU 38 -4.393 4.049 -0.450 281 HB2 LEU 38 HB2 LEU 38 -1.821 3.006 -1.503 282 HB3 LEU 38 HB3 LEU 38 -2.429 3.070 0.139 283 HG LEU 38 HG LEU 38 -3.045 1.047 -2.010 284 HD11 LEU 38 HD11 LEU 38 -2.523 -0.042 0.587 285 HD12 LEU 38 HD12 LEU 38 -1.588 -0.216 -0.917 286 HD13 LEU 38 HD13 LEU 38 -1.255 1.142 0.185 287 HD21 LEU 38 HD21 LEU 38 -5.101 0.710 -1.259 288 HD22 LEU 38 HD22 LEU 38 -4.458 0.386 0.368 289 HD23 LEU 38 HD23 LEU 38 -4.912 2.044 -0.096 290 H ALA 39 H ALA 39 -2.857 4.213 -3.713 291 HA ALA 39 HA ALA 39 -1.374 6.503 -3.322 292 HB1 ALA 39 HB1 ALA 39 -0.979 5.330 -5.307 293 HB2 ALA 39 HB2 ALA 39 -2.712 5.194 -5.691 294 HB3 ALA 39 HB3 ALA 39 -1.877 6.754 -5.885 295 H GLY 40 H GLY 40 -4.848 6.092 -4.223 296 HA2 GLY 40 HA2 GLY 40 -5.338 8.877 -4.555 297 HA3 GLY 40 HA3 GLY 40 -6.523 7.595 -4.397 298 H TYR 41 H TYR 41 -6.525 6.552 -2.015 299 HA TYR 41 HA TYR 41 -7.601 8.340 -0.298 300 HB2 TYR 41 HB2 TYR 41 -7.350 5.729 -0.277 301 HB3 TYR 41 HB3 TYR 41 -5.770 5.978 0.440 302 HD1 TYR 41 HD2 TYR 41 -5.559 6.882 2.739 303 HD2 TYR 41 HD1 TYR 41 -9.379 6.020 1.016 304 HE1 TYR 41 HE2 TYR 41 -6.624 6.956 5.046 305 HE2 TYR 41 HE1 TYR 41 -10.431 6.097 3.329 306 HH TYR 41 HH TYR 41 -8.834 5.782 6.046 307 H GLY 42 H GLY 42 -4.181 7.879 -1.024 308 HA2 GLY 42 HA2 GLY 42 -3.315 9.283 1.376 309 HA3 GLY 42 HA3 GLY 42 -2.311 8.587 0.120 310 H ALA 43 H ALA 43 -3.551 9.764 -2.203 311 HA ALA 43 HA ALA 43 -2.309 12.324 -2.095 312 HB1 ALA 43 HB1 ALA 43 -2.065 11.258 -4.151 313 HB2 ALA 43 HB2 ALA 43 -3.734 10.639 -4.147 314 HB3 ALA 43 HB3 ALA 43 -3.423 12.358 -4.487 315 H TYR 44 H TYR 44 -5.273 11.186 -0.969 316 HA TYR 44 HA TYR 44 -7.266 12.746 -1.757 317 HB2 TYR 44 HB2 TYR 44 -6.332 11.392 0.634 318 HB3 TYR 44 HB3 TYR 44 -6.963 12.940 1.161 319 HD1 TYR 44 HD1 TYR 44 -8.188 10.799 -1.649 320 HD2 TYR 44 HD2 TYR 44 -8.963 12.366 2.256 321 HE1 TYR 44 HE1 TYR 44 -10.553 9.870 -1.738 322 HE2 TYR 44 HE2 TYR 44 -11.325 11.432 2.154 323 HH TYR 44 HH TYR 44 -12.932 10.779 0.541 324 H ARG 45 H ARG 45 -5.199 13.865 1.016 325 HA ARG 45 HA ARG 45 -5.505 16.536 -0.096 326 HB2 ARG 45 HB2 ARG 45 -6.380 15.511 2.486 327 HB3 ARG 45 HB3 ARG 45 -5.159 16.740 2.747 328 HG2 ARG 45 HG2 ARG 45 -6.825 18.263 2.462 329 HG3 ARG 45 HG3 ARG 45 -6.729 17.892 0.752 330 HD2 ARG 45 HD2 ARG 45 -8.743 16.814 0.766 331 HD3 ARG 45 HD3 ARG 45 -8.330 15.885 2.192 332 HE ARG 45 HE ARG 45 -8.939 18.721 2.713 333 HH11 ARG 45 HH22 ARG 45 -10.200 15.442 2.525 334 HH12 ARG 45 HH21 ARG 45 -11.583 15.780 3.513 335 HH21 ARG 45 HH12 ARG 45 -10.763 19.169 4.016 336 HH22 ARG 45 HH11 ARG 45 -11.905 17.914 4.366 337 H VAL 46 H VAL 46 -3.400 14.064 0.457 338 HA VAL 46 HA VAL 46 -1.266 15.650 1.622 339 HB VAL 46 HB VAL 46 -1.998 13.004 1.770 340 HG11 VAL 46 HG11 VAL 46 -1.102 12.660 -0.541 341 HG12 VAL 46 HG12 VAL 46 0.508 13.122 0.061 342 HG13 VAL 46 HG13 VAL 46 -0.298 11.669 0.700 343 HG21 VAL 46 HG21 VAL 46 -0.368 12.898 3.354 344 HG22 VAL 46 HG22 VAL 46 0.867 13.621 2.294 345 HG23 VAL 46 HG23 VAL 46 -0.337 14.659 3.096 346 H SER 47 H SER 47 -2.654 14.969 -1.450 347 HA SER 47 HA SER 47 -0.212 15.041 -2.893 348 HB2 SER 47 HB2 SER 47 -2.164 13.845 -3.785 349 HB3 SER 47 HB3 SER 47 -3.119 15.314 -3.771 350 HG SER 47 HG SER 47 -0.683 15.468 -5.201 351 H ASN 48 H ASN 48 0.679 16.811 -4.068 352 HA ASN 48 HA ASN 48 -0.400 19.101 -4.775 353 HB2 ASN 48 HB2 ASN 48 -0.146 19.048 -1.816 354 HB3 ASN 48 HB3 ASN 48 0.644 20.437 -2.535 355 HD21 ASN 48 HD21 ASN 48 -1.863 20.018 -0.925 356 HD22 ASN 48 HD22 ASN 48 -3.122 20.832 -1.792 357 H ASP 49 H ASP 49 2.229 18.541 -2.299 358 HA ASP 49 HA ASP 49 4.144 19.136 -4.412 359 HB2 ASP 49 HB2 ASP 49 3.608 20.782 -2.225 360 HB3 ASP 49 HB3 ASP 49 4.969 19.841 -1.647 361 H LYS 50 H LYS 50 2.888 16.738 -2.665 362 HA LYS 50 HA LYS 50 5.335 15.708 -1.487 363 HB2 LYS 50 HB2 LYS 50 2.453 15.291 -1.126 364 HB3 LYS 50 HB3 LYS 50 3.361 13.794 -1.162 365 HG2 LYS 50 HG2 LYS 50 4.970 14.815 0.535 366 HG3 LYS 50 HG3 LYS 50 3.895 16.194 0.648 367 HD2 LYS 50 HD2 LYS 50 2.309 15.040 1.857 368 HD3 LYS 50 HD3 LYS 50 2.543 13.557 0.953 369 HE2 LYS 50 HE2 LYS 50 4.583 13.033 2.208 370 HE3 LYS 50 HE3 LYS 50 4.562 14.599 2.993 371 HZ1 LYS 50 HZ1 LYS 50 2.215 13.788 3.710 372 HZ2 LYS 50 HZ2 LYS 50 2.855 12.306 3.465 373 HZ3 LYS 50 HZ3 LYS 50 3.545 13.326 4.538 374 H ARG 51 H ARG 51 5.110 12.983 -1.887 375 HA ARG 51 HA ARG 51 6.239 12.746 -4.392 376 HB2 ARG 51 HB2 ARG 51 4.962 10.473 -2.799 377 HB3 ARG 51 HB3 ARG 51 6.293 10.346 -3.932 378 HG2 ARG 51 HG2 ARG 51 7.812 10.863 -2.325 379 HG3 ARG 51 HG3 ARG 51 6.939 12.317 -1.883 380 HD2 ARG 51 HD2 ARG 51 7.054 10.804 0.057 381 HD3 ARG 51 HD3 ARG 51 5.388 10.962 -0.463 382 HE ARG 51 HE ARG 51 6.195 8.761 -1.880 383 HH11 ARG 51 HH22 ARG 51 6.502 9.612 1.521 384 HH12 ARG 51 HH21 ARG 51 6.474 7.968 2.067 385 HH21 ARG 51 HH12 ARG 51 6.158 6.592 -1.160 386 HH22 ARG 51 HH11 ARG 51 6.277 6.239 0.531 387 H ASP 52 H ASP 52 5.416 11.146 -6.151 388 HA ASP 52 HA ASP 52 2.517 11.353 -6.346 389 HB2 ASP 52 HB2 ASP 52 4.664 11.988 -8.394 390 HB3 ASP 52 HB3 ASP 52 3.080 11.467 -8.933 391 H VAL 53 H VAL 53 5.341 9.984 -8.216 392 HA VAL 53 HA VAL 53 3.898 7.455 -8.401 393 HB VAL 53 HB VAL 53 6.310 8.574 -9.839 394 HG11 VAL 53 HG11 VAL 53 6.626 6.195 -9.666 395 HG12 VAL 53 HG12 VAL 53 4.935 5.884 -10.128 396 HG13 VAL 53 HG13 VAL 53 6.073 6.561 -11.318 397 HG21 VAL 53 HG21 VAL 53 4.892 8.785 -11.749 398 HG22 VAL 53 HG22 VAL 53 3.570 7.902 -10.949 399 HG23 VAL 53 HG23 VAL 53 4.029 9.525 -10.379 400 H LYS 54 H LYS 54 6.227 9.040 -6.473 401 HA LYS 54 HA LYS 54 8.023 6.925 -6.030 402 HB2 LYS 54 HB2 LYS 54 7.806 9.594 -5.296 403 HB3 LYS 54 HB3 LYS 54 7.617 8.748 -3.774 404 HG2 LYS 54 HG2 LYS 54 9.714 7.518 -4.125 405 HG3 LYS 54 HG3 LYS 54 9.869 8.157 -5.749 406 HD2 LYS 54 HD2 LYS 54 10.802 10.096 -5.005 407 HD3 LYS 54 HD3 LYS 54 9.547 10.329 -3.804 408 HE2 LYS 54 HE2 LYS 54 10.694 8.999 -2.172 409 HE3 LYS 54 HE3 LYS 54 11.735 8.262 -3.373 410 HZ1 LYS 54 HZ1 LYS 54 12.859 9.980 -2.133 411 HZ2 LYS 54 HZ2 LYS 54 12.775 10.390 -3.711 412 HZ3 LYS 54 HZ3 LYS 54 11.783 11.105 -2.628 413 H VAL 55 H VAL 55 4.831 7.801 -4.681 414 HA VAL 55 HA VAL 55 4.988 5.910 -2.561 415 HB VAL 55 HB VAL 55 3.627 7.975 -2.544 416 HG11 VAL 55 HG11 VAL 55 2.878 7.549 -5.014 417 HG12 VAL 55 HG12 VAL 55 1.576 6.597 -4.262 418 HG13 VAL 55 HG13 VAL 55 1.754 8.325 -3.872 419 HG21 VAL 55 HG21 VAL 55 1.926 7.082 -1.227 420 HG22 VAL 55 HG22 VAL 55 1.740 5.644 -2.259 421 HG23 VAL 55 HG23 VAL 55 3.157 5.797 -1.194 422 H SER 56 H SER 56 3.758 5.953 -5.931 423 HA SER 56 HA SER 56 2.314 3.623 -5.819 424 HB2 SER 56 HB2 SER 56 2.542 5.385 -7.715 425 HB3 SER 56 HB3 SER 56 3.952 4.482 -8.232 426 HG SER 56 HG SER 56 1.608 2.958 -7.753 427 H LEU 57 H LEU 57 5.729 4.097 -7.005 428 HA LEU 57 HA LEU 57 6.257 1.364 -7.254 429 HB2 LEU 57 HB2 LEU 57 7.545 2.953 -8.452 430 HB3 LEU 57 HB3 LEU 57 8.008 3.801 -6.990 431 HG LEU 57 HG LEU 57 8.820 0.953 -7.110 432 HD11 LEU 57 HD11 LEU 57 10.532 2.809 -8.704 433 HD12 LEU 57 HD12 LEU 57 10.347 1.041 -8.803 434 HD13 LEU 57 HD13 LEU 57 9.093 2.106 -9.481 435 HD21 LEU 57 HD21 LEU 57 9.412 3.096 -5.513 436 HD22 LEU 57 HD22 LEU 57 10.384 1.612 -5.650 437 HD23 LEU 57 HD23 LEU 57 10.817 3.050 -6.605 438 H PHE 58 H PHE 58 7.387 3.693 -4.695 439 HA PHE 58 HA PHE 58 8.577 1.971 -3.020 440 HB2 PHE 58 HB2 PHE 58 8.298 4.455 -2.730 441 HB3 PHE 58 HB3 PHE 58 6.586 4.241 -2.427 442 HD1 PHE 58 HD2 PHE 58 5.812 3.277 -0.300 443 HD2 PHE 58 HD1 PHE 58 9.929 4.020 -1.012 444 HE1 PHE 58 HE2 PHE 58 6.273 3.076 2.159 445 HE2 PHE 58 HE1 PHE 58 10.390 3.820 1.447 446 HZ PHE 58 HZ PHE 58 8.557 3.350 3.003 447 H THR 59 H THR 59 5.055 2.365 -3.532 448 HA THR 59 HA THR 59 4.297 0.819 -1.270 449 HB THR 59 HB THR 59 2.949 1.823 -3.816 450 HG1 THR 59 HG1 THR 59 3.000 3.445 -2.281 451 HG21 THR 59 HG21 THR 59 1.985 -0.184 -1.816 452 HG22 THR 59 HG22 THR 59 0.896 1.197 -2.089 453 HG23 THR 59 HG23 THR 59 1.378 0.160 -3.453 454 H ALA 60 H ALA 60 4.392 0.051 -4.817 455 HA ALA 60 HA ALA 60 3.672 -2.588 -4.588 456 HB1 ALA 60 HB1 ALA 60 3.979 -2.472 -6.814 457 HB2 ALA 60 HB2 ALA 60 4.578 -0.813 -6.578 458 HB3 ALA 60 HB3 ALA 60 5.722 -2.176 -6.616 459 H PHE 61 H PHE 61 6.892 -1.023 -4.182 460 HA PHE 61 HA PHE 61 8.356 -3.392 -3.999 461 HB2 PHE 61 HB2 PHE 61 8.786 -0.644 -4.015 462 HB3 PHE 61 HB3 PHE 61 9.077 -0.990 -2.322 463 HD1 PHE 61 HD1 PHE 61 10.633 -3.188 -1.987 464 HD2 PHE 61 HD2 PHE 61 10.632 -0.644 -5.384 465 HE1 PHE 61 HE1 PHE 61 12.969 -3.922 -2.538 466 HE2 PHE 61 HE2 PHE 61 12.968 -1.378 -5.935 467 HZ PHE 61 HZ PHE 61 14.109 -3.008 -4.506 468 H PHE 62 H PHE 62 6.780 -1.322 -1.478 469 HA PHE 62 HA PHE 62 7.719 -2.825 0.691 470 HB2 PHE 62 HB2 PHE 62 6.312 -0.469 0.199 471 HB3 PHE 62 HB3 PHE 62 5.018 -1.494 0.785 472 HD1 PHE 62 HD2 PHE 62 8.387 -0.214 1.681 473 HD2 PHE 62 HD1 PHE 62 4.727 -1.842 3.082 474 HE1 PHE 62 HE2 PHE 62 9.080 0.262 4.046 475 HE2 PHE 62 HE1 PHE 62 5.420 -1.366 5.446 476 HZ PHE 62 HZ PHE 62 7.589 -0.320 5.900 477 H LEU 63 H LEU 63 4.326 -2.650 -0.620 478 HA LEU 63 HA LEU 63 3.252 -4.692 0.776 479 HB2 LEU 63 HB2 LEU 63 2.506 -3.080 -1.322 480 HB3 LEU 63 HB3 LEU 63 2.442 -4.677 -2.041 481 HG LEU 63 HG LEU 63 0.277 -3.915 -1.113 482 HD11 LEU 63 HD11 LEU 63 0.835 -6.198 0.654 483 HD12 LEU 63 HD12 LEU 63 -0.326 -6.029 -0.685 484 HD13 LEU 63 HD13 LEU 63 1.377 -6.417 -1.028 485 HD21 LEU 63 HD21 LEU 63 1.718 -2.933 0.987 486 HD22 LEU 63 HD22 LEU 63 -0.045 -3.184 0.982 487 HD23 LEU 63 HD23 LEU 63 1.028 -4.416 1.689 488 H ALA 64 H ALA 64 5.259 -4.924 -2.211 489 HA ALA 64 HA ALA 64 4.961 -7.656 -2.607 490 HB1 ALA 64 HB1 ALA 64 5.906 -6.248 -4.311 491 HB2 ALA 64 HB2 ALA 64 7.210 -5.706 -3.227 492 HB3 ALA 64 HB3 ALA 64 7.180 -7.386 -3.813 493 H THR 65 H THR 65 7.779 -5.942 -1.063 494 HA THR 65 HA THR 65 9.102 -8.116 -0.117 495 HB THR 65 HB THR 65 8.681 -5.303 0.997 496 HG1 THR 65 HG1 THR 65 10.164 -5.081 -0.628 497 HG21 THR 65 HG21 THR 65 11.090 -6.010 1.995 498 HG22 THR 65 HG22 THR 65 9.599 -6.242 2.939 499 HG23 THR 65 HG23 THR 65 10.316 -7.611 2.055 500 H ILE 66 H ILE 66 6.033 -6.798 1.055 501 HA ILE 66 HA ILE 66 6.150 -8.308 3.491 502 HB ILE 66 HB ILE 66 3.975 -6.708 2.144 503 HG12 ILE 66 HG12 ILE 66 5.876 -5.386 2.942 504 HG13 ILE 66 HG13 ILE 66 4.427 -5.058 3.871 505 HG21 ILE 66 HG21 ILE 66 3.946 -8.355 4.655 506 HG22 ILE 66 HG22 ILE 66 2.973 -6.869 4.544 507 HG23 ILE 66 HG23 ILE 66 2.711 -8.193 3.383 508 HD11 ILE 66 HD11 ILE 66 6.048 -5.301 5.556 509 HD12 ILE 66 HD12 ILE 66 5.336 -6.932 5.494 510 HD13 ILE 66 HD13 ILE 66 6.892 -6.609 4.693 511 H MET 67 H MET 67 3.557 -8.366 0.970 512 HA MET 67 HA MET 67 2.631 -10.814 1.518 513 HB2 MET 67 HB2 MET 67 2.573 -8.925 -0.712 514 HB3 MET 67 HB3 MET 67 2.620 -10.554 -1.355 515 HG2 MET 67 HG2 MET 67 0.732 -10.140 0.930 516 HG3 MET 67 HG3 MET 67 0.315 -9.294 -0.547 517 HE1 MET 67 HE1 MET 67 -0.822 -12.984 0.798 518 HE2 MET 67 HE2 MET 67 0.832 -13.557 0.477 519 HE3 MET 67 HE3 MET 67 0.571 -12.103 1.469 520 H GLY 68 H GLY 68 4.970 -10.178 -1.205 521 HA2 GLY 68 HA2 GLY 68 7.015 -11.642 -1.021 522 HA3 GLY 68 HA3 GLY 68 5.883 -12.975 -0.916 523 H VAL 69 H VAL 69 5.751 -9.971 -2.945 524 HA VAL 69 HA VAL 69 4.924 -11.419 -5.214 525 HB VAL 69 HB VAL 69 5.863 -8.613 -4.678 526 HG11 VAL 69 HG11 VAL 69 5.585 -9.980 -7.302 527 HG12 VAL 69 HG12 VAL 69 4.821 -8.379 -7.161 528 HG13 VAL 69 HG13 VAL 69 6.561 -8.566 -6.838 529 HG21 VAL 69 HG21 VAL 69 3.296 -8.716 -5.863 530 HG22 VAL 69 HG22 VAL 69 3.343 -10.012 -4.645 531 HG23 VAL 69 HG23 VAL 69 3.709 -8.335 -4.174 532 H ARG 70 H ARG 70 8.073 -10.486 -3.865 533 HA ARG 70 HA ARG 70 9.483 -10.867 -6.255 534 HB2 ARG 70 HB2 ARG 70 10.062 -9.861 -3.724 535 HB3 ARG 70 HB3 ARG 70 10.953 -11.369 -3.713 536 HG2 ARG 70 HG2 ARG 70 12.490 -9.794 -4.620 537 HG3 ARG 70 HG3 ARG 70 11.897 -10.667 -6.020 538 HD2 ARG 70 HD2 ARG 70 10.432 -8.867 -6.663 539 HD3 ARG 70 HD3 ARG 70 10.565 -8.088 -5.099 540 HE ARG 70 HE ARG 70 13.182 -8.287 -6.264 541 HH11 ARG 70 HH22 ARG 70 10.155 -6.536 -6.657 542 HH12 ARG 70 HH21 ARG 70 10.905 -5.144 -7.364 543 HH21 ARG 70 HH12 ARG 70 14.171 -6.450 -7.196 544 HH22 ARG 70 HH11 ARG 70 13.204 -5.095 -7.672 545 H PHE 71 H PHE 71 11.340 -12.623 -6.345 546 HA PHE 71 HA PHE 71 10.369 -15.060 -6.740 547 HB2 PHE 71 HB2 PHE 71 12.748 -14.115 -7.062 548 HB3 PHE 71 HB3 PHE 71 13.039 -14.401 -5.358 549 HD1 PHE 71 HD1 PHE 71 12.578 -15.987 -8.628 550 HD2 PHE 71 HD2 PHE 71 13.393 -16.642 -4.516 551 HE1 PHE 71 HE1 PHE 71 13.327 -18.325 -9.149 552 HE2 PHE 71 HE2 PHE 71 14.143 -18.980 -5.037 553 HZ PHE 71 HZ PHE 71 14.101 -19.794 -7.348 554 H LYS 72 H LYS 72 9.119 -16.375 -5.498 555 HA LYS 72 HA LYS 72 9.895 -16.627 -2.675 556 HB2 LYS 72 HB2 LYS 72 7.619 -15.491 -3.392 557 HB3 LYS 72 HB3 LYS 72 7.092 -17.147 -3.609 558 HG2 LYS 72 HG2 LYS 72 7.791 -17.686 -1.272 559 HG3 LYS 72 HG3 LYS 72 8.347 -16.039 -1.052 560 HD2 LYS 72 HD2 LYS 72 6.178 -15.158 -0.982 561 HD3 LYS 72 HD3 LYS 72 5.509 -16.428 -1.986 562 HE2 LYS 72 HE2 LYS 72 5.071 -17.791 -0.194 563 HE3 LYS 72 HE3 LYS 72 6.604 -17.438 0.577 564 HZ1 LYS 72 HZ1 LYS 72 5.580 -16.010 1.875 565 HZ2 LYS 72 HZ2 LYS 72 5.006 -15.150 0.611 566 HZ3 LYS 72 HZ3 LYS 72 4.140 -16.399 1.209 567 H ARG 73 H ARG 73 8.164 -18.331 -5.382 568 HA ARG 73 HA ARG 73 9.492 -20.736 -4.415 569 HB2 ARG 73 HB2 ARG 73 6.712 -20.249 -4.632 570 HB3 ARG 73 HB3 ARG 73 7.081 -21.233 -6.034 571 HG2 ARG 73 HG2 ARG 73 7.666 -23.086 -4.765 572 HG3 ARG 73 HG3 ARG 73 8.322 -22.123 -3.456 573 HD2 ARG 73 HD2 ARG 73 6.355 -22.190 -2.310 574 HD3 ARG 73 HD3 ARG 73 5.446 -21.647 -3.706 575 HE ARG 73 HE ARG 73 4.803 -23.856 -4.071 576 HH11 ARG 73 HH22 ARG 73 7.806 -23.859 -2.238 577 HH12 ARG 73 HH21 ARG 73 7.841 -25.581 -2.054 578 HH21 ARG 73 HH12 ARG 73 4.848 -26.127 -3.829 579 HH22 ARG 73 HH11 ARG 73 6.147 -26.880 -2.965 580 H SER 74 H SER 74 7.789 -19.334 -7.320 581 HA SER 74 HA SER 74 9.955 -19.396 -8.967 582 HB2 SER 74 HB2 SER 74 9.027 -22.044 -8.504 583 HB3 SER 74 HB3 SER 74 8.467 -21.627 -10.111 584 HG SER 74 HG SER 74 10.493 -22.338 -10.542 585 H LYS 75 H LYS 75 6.444 -20.318 -8.862 586 HA LYS 75 HA LYS 75 5.919 -18.970 -11.332 587 HB2 LYS 75 HB2 LYS 75 4.657 -20.942 -10.819 588 HB3 LYS 75 HB3 LYS 75 4.162 -20.308 -9.263 589 HG2 LYS 75 HG2 LYS 75 2.366 -19.309 -10.214 590 HG3 LYS 75 HG3 LYS 75 3.417 -18.362 -11.249 591 HD2 LYS 75 HD2 LYS 75 3.499 -20.211 -12.905 592 HD3 LYS 75 HD3 LYS 75 2.522 -21.220 -11.857 593 HE2 LYS 75 HE2 LYS 75 0.732 -19.342 -11.966 594 HE3 LYS 75 HE3 LYS 75 1.679 -18.655 -13.270 595 HZ1 LYS 75 HZ1 LYS 75 -0.151 -20.641 -13.490 596 HZ2 LYS 75 HZ2 LYS 75 0.913 -20.184 -14.641 597 HZ3 LYS 75 HZ3 LYS 75 1.274 -21.423 -13.640 598 H LYS 76 H LYS 76 7.166 -17.012 -10.202 599 HA LYS 76 HA LYS 76 5.447 -15.478 -8.473 600 HB2 LYS 76 HB2 LYS 76 7.278 -13.930 -8.357 601 HB3 LYS 76 HB3 LYS 76 7.908 -15.555 -8.178 602 HG2 LYS 76 HG2 LYS 76 8.216 -15.413 -10.823 603 HG3 LYS 76 HG3 LYS 76 8.139 -13.684 -10.546 604 HD2 LYS 76 HD2 LYS 76 9.979 -13.934 -8.813 605 HD3 LYS 76 HD3 LYS 76 10.102 -15.628 -9.242 606 HE2 LYS 76 HE2 LYS 76 11.282 -15.174 -11.144 607 HE3 LYS 76 HE3 LYS 76 10.181 -13.899 -11.626 608 HZ1 LYS 76 HZ1 LYS 76 11.385 -12.736 -9.604 609 HZ2 LYS 76 HZ2 LYS 76 12.598 -13.722 -10.075 610 HZ3 LYS 76 HZ3 LYS 76 11.957 -12.655 -11.132 611 H ILE 77 H ILE 77 3.882 -15.972 -10.580 612 HA ILE 77 HA ILE 77 4.118 -13.572 -12.257 613 HB ILE 77 HB ILE 77 2.910 -16.281 -12.786 614 HG12 ILE 77 HG12 ILE 77 4.489 -15.761 -14.896 615 HG13 ILE 77 HG13 ILE 77 5.329 -14.797 -13.698 616 HG21 ILE 77 HG21 ILE 77 2.740 -14.650 -15.097 617 HG22 ILE 77 HG22 ILE 77 1.418 -15.379 -14.155 618 HG23 ILE 77 HG23 ILE 77 1.999 -13.745 -13.756 619 HD11 ILE 77 HD11 ILE 77 4.541 -17.454 -12.670 620 HD12 ILE 77 HD12 ILE 77 5.644 -17.534 -14.065 621 HD13 ILE 77 HD13 ILE 77 6.119 -16.634 -12.605 622 H MET 78 H MET 78 2.151 -15.453 -9.982 623 HA MET 78 HA MET 78 -0.306 -14.444 -10.384 624 HB2 MET 78 HB2 MET 78 1.236 -15.616 -8.186 625 HB3 MET 78 HB3 MET 78 0.149 -14.401 -7.543 626 HG2 MET 78 HG2 MET 78 -1.739 -15.625 -8.047 627 HG3 MET 78 HG3 MET 78 -1.094 -16.190 -9.576 628 HE1 MET 78 HE1 MET 78 -1.115 -18.145 -9.985 629 HE2 MET 78 HE2 MET 78 -0.077 -19.408 -9.281 630 HE3 MET 78 HE3 MET 78 -1.782 -19.280 -8.786 631 HA PRO 79 HA PRO 79 0.875 -10.583 -7.887 632 HB2 PRO 79 HB2 PRO 79 3.497 -10.087 -7.301 633 HB3 PRO 79 HB3 PRO 79 2.396 -10.864 -6.181 634 HG2 PRO 79 HG2 PRO 79 4.555 -12.074 -7.797 635 HG3 PRO 79 HG3 PRO 79 3.742 -12.725 -6.387 636 HD2 PRO 79 HD2 PRO 79 3.305 -13.478 -9.120 637 HD3 PRO 79 HD3 PRO 79 2.413 -14.043 -7.722 638 H ALA 80 H ALA 80 0.422 -10.706 -10.462 639 HA ALA 80 HA ALA 80 2.511 -9.231 -11.813 640 HB1 ALA 80 HB1 ALA 80 1.489 -10.924 -13.121 641 HB2 ALA 80 HB2 ALA 80 -0.148 -10.454 -12.606 642 HB3 ALA 80 HB3 ALA 80 0.773 -9.406 -13.712 643 H GLY 81 H GLY 81 -0.840 -8.768 -10.564 644 HA2 GLY 81 HA2 GLY 81 -1.224 -6.172 -11.575 645 HA3 GLY 81 HA3 GLY 81 -2.060 -6.911 -10.224 646 H LEU 82 H LEU 82 0.756 -7.428 -8.948 647 HA LEU 82 HA LEU 82 0.723 -5.234 -7.244 648 HB2 LEU 82 HB2 LEU 82 1.748 -7.659 -7.097 649 HB3 LEU 82 HB3 LEU 82 3.198 -6.854 -7.661 650 HG LEU 82 HG LEU 82 3.526 -6.735 -5.406 651 HD11 LEU 82 HD11 LEU 82 1.841 -4.257 -5.863 652 HD12 LEU 82 HD12 LEU 82 3.058 -4.490 -4.585 653 HD13 LEU 82 HD13 LEU 82 3.558 -4.448 -6.293 654 HD21 LEU 82 HD21 LEU 82 1.387 -7.852 -4.847 655 HD22 LEU 82 HD22 LEU 82 1.827 -6.564 -3.699 656 HD23 LEU 82 HD23 LEU 82 0.570 -6.272 -4.925 657 H VAL 83 H VAL 83 3.461 -6.068 -9.478 658 HA VAL 83 HA VAL 83 4.389 -3.399 -9.450 659 HB VAL 83 HB VAL 83 5.022 -5.831 -11.123 660 HG11 VAL 83 HG11 VAL 83 6.655 -3.281 -11.061 661 HG12 VAL 83 HG12 VAL 83 6.852 -4.697 -12.122 662 HG13 VAL 83 HG13 VAL 83 5.445 -3.624 -12.321 663 HG21 VAL 83 HG21 VAL 83 7.259 -5.330 -9.721 664 HG22 VAL 83 HG22 VAL 83 6.064 -4.636 -8.599 665 HG23 VAL 83 HG23 VAL 83 5.933 -6.340 -9.097 666 H ALA 84 H ALA 84 2.733 -5.429 -11.968 667 HA ALA 84 HA ALA 84 2.577 -3.582 -13.959 668 HB1 ALA 84 HB1 ALA 84 1.805 -6.050 -13.828 669 HB2 ALA 84 HB2 ALA 84 0.261 -5.395 -13.233 670 HB3 ALA 84 HB3 ALA 84 0.858 -4.940 -14.847 671 H GLY 85 H GLY 85 0.784 -3.723 -10.887 672 HA2 GLY 85 HA2 GLY 85 -1.209 -1.814 -11.635 673 HA3 GLY 85 HA3 GLY 85 -0.837 -2.402 -10.026 674 H LEU 86 H LEU 86 1.775 -1.701 -9.550 675 HA LEU 86 HA LEU 86 1.658 0.891 -8.774 676 HB2 LEU 86 HB2 LEU 86 3.658 0.461 -7.935 677 HB3 LEU 86 HB3 LEU 86 3.445 -1.154 -8.581 678 HG LEU 86 HG LEU 86 4.596 -0.313 -10.704 679 HD11 LEU 86 HD11 LEU 86 5.438 1.752 -10.880 680 HD12 LEU 86 HD12 LEU 86 4.318 2.160 -9.558 681 HD13 LEU 86 HD13 LEU 86 6.016 1.770 -9.196 682 HD21 LEU 86 HD21 LEU 86 5.852 -1.798 -9.456 683 HD22 LEU 86 HD22 LEU 86 6.901 -0.360 -9.490 684 HD23 LEU 86 HD23 LEU 86 5.928 -0.717 -8.043 685 H SER 87 H SER 87 2.874 -0.407 -11.916 686 HA SER 87 HA SER 87 3.680 2.097 -12.853 687 HB2 SER 87 HB2 SER 87 3.052 -0.558 -14.179 688 HB3 SER 87 HB3 SER 87 3.458 0.844 -15.147 689 HG SER 87 HG SER 87 5.397 0.965 -13.534 690 H LEU 88 H LEU 88 0.799 0.026 -13.690 691 HA LEU 88 HA LEU 88 -0.496 1.724 -15.352 692 HB2 LEU 88 HB2 LEU 88 -1.029 -0.662 -14.150 693 HB3 LEU 88 HB3 LEU 88 -2.223 0.369 -13.387 694 HG LEU 88 HG LEU 88 -2.581 1.082 -15.983 695 HD11 LEU 88 HD11 LEU 88 -1.921 -0.409 -17.500 696 HD12 LEU 88 HD12 LEU 88 -0.871 -1.084 -16.231 697 HD13 LEU 88 HD13 LEU 88 -2.483 -1.783 -16.518 698 HD21 LEU 88 HD21 LEU 88 -4.602 -0.146 -15.913 699 HD22 LEU 88 HD22 LEU 88 -3.923 -1.350 -14.791 700 HD23 LEU 88 HD23 LEU 88 -4.239 0.310 -14.231 701 H MET 89 H MET 89 0.089 2.099 -11.904 702 HA MET 89 HA MET 89 -1.970 4.043 -11.592 703 HB2 MET 89 HB2 MET 89 -0.835 2.417 -9.825 704 HB3 MET 89 HB3 MET 89 0.423 3.635 -9.742 705 HG2 MET 89 HG2 MET 89 -2.098 5.014 -9.572 706 HG3 MET 89 HG3 MET 89 -2.184 3.650 -8.476 707 HE1 MET 89 HE1 MET 89 -0.415 6.477 -9.839 708 HE2 MET 89 HE2 MET 89 -0.295 7.487 -8.378 709 HE3 MET 89 HE3 MET 89 1.123 6.575 -8.949 710 H MET 90 H MET 90 1.664 4.074 -11.659 711 HA MET 90 HA MET 90 1.969 6.773 -11.357 712 HB2 MET 90 HB2 MET 90 4.223 6.370 -12.083 713 HB3 MET 90 HB3 MET 90 3.712 4.821 -11.443 714 HG2 MET 90 HG2 MET 90 4.258 3.906 -13.451 715 HG3 MET 90 HG3 MET 90 2.878 4.739 -14.137 716 HE1 MET 90 HE1 MET 90 6.625 4.687 -15.656 717 HE2 MET 90 HE2 MET 90 5.136 3.731 -15.464 718 HE3 MET 90 HE3 MET 90 5.232 4.986 -16.722 719 H ILE 91 H ILE 91 0.716 4.976 -14.079 720 HA ILE 91 HA ILE 91 1.252 7.155 -15.925 721 HB ILE 91 HB ILE 91 1.618 4.831 -16.614 722 HG12 ILE 91 HG12 ILE 91 -0.487 5.303 -18.489 723 HG13 ILE 91 HG13 ILE 91 0.159 6.859 -18.006 724 HG21 ILE 91 HG21 ILE 91 -0.383 3.403 -17.088 725 HG22 ILE 91 HG22 ILE 91 -0.037 3.648 -15.360 726 HG23 ILE 91 HG23 ILE 91 -1.359 4.550 -16.139 727 HD11 ILE 91 HD11 ILE 91 1.904 4.511 -18.875 728 HD12 ILE 91 HD12 ILE 91 1.366 5.810 -19.966 729 HD13 ILE 91 HD13 ILE 91 2.430 6.188 -18.590 730 H LEU 92 H LEU 92 -1.485 5.452 -14.301 731 HA LEU 92 HA LEU 92 -3.484 7.013 -15.507 732 HB2 LEU 92 HB2 LEU 92 -4.945 5.863 -14.190 733 HB3 LEU 92 HB3 LEU 92 -3.593 4.751 -14.266 734 HG LEU 92 HG LEU 92 -2.840 5.784 -12.027 735 HD11 LEU 92 HD11 LEU 92 -5.350 7.221 -12.488 736 HD12 LEU 92 HD12 LEU 92 -5.263 6.432 -10.894 737 HD13 LEU 92 HD13 LEU 92 -3.999 7.583 -11.388 738 HD21 LEU 92 HD21 LEU 92 -5.420 4.316 -11.683 739 HD22 LEU 92 HD22 LEU 92 -4.098 3.529 -12.577 740 HD23 LEU 92 HD23 LEU 92 -3.842 4.065 -10.899 741 H ARG 93 H ARG 93 -1.058 7.755 -13.174 742 HA ARG 93 HA ARG 93 -2.676 9.910 -12.115 743 HB2 ARG 93 HB2 ARG 93 -0.563 8.227 -11.053 744 HB3 ARG 93 HB3 ARG 93 -0.030 9.894 -10.972 745 HG2 ARG 93 HG2 ARG 93 -2.672 10.085 -10.105 746 HG3 ARG 93 HG3 ARG 93 -2.187 8.529 -9.461 747 HD2 ARG 93 HD2 ARG 93 -0.747 9.466 -7.938 748 HD3 ARG 93 HD3 ARG 93 -0.120 10.623 -9.095 749 HE ARG 93 HE ARG 93 -2.749 11.464 -8.539 750 HH11 ARG 93 HH22 ARG 93 0.225 10.971 -6.723 751 HH12 ARG 93 HH21 ARG 93 -0.143 12.186 -5.544 752 HH21 ARG 93 HH12 ARG 93 -3.234 13.067 -6.984 753 HH22 ARG 93 HH11 ARG 93 -2.123 13.386 -5.694 754 H LEU 94 H LEU 94 0.563 9.229 -13.615 755 HA LEU 94 HA LEU 94 1.340 11.898 -13.853 756 HB2 LEU 94 HB2 LEU 94 2.795 9.890 -13.983 757 HB3 LEU 94 HB3 LEU 94 2.128 9.538 -15.565 758 HG LEU 94 HG LEU 94 3.275 12.257 -15.209 759 HD11 LEU 94 HD11 LEU 94 5.515 10.780 -15.902 760 HD12 LEU 94 HD12 LEU 94 5.206 11.570 -14.337 761 HD13 LEU 94 HD13 LEU 94 4.795 9.853 -14.564 762 HD21 LEU 94 HD21 LEU 94 4.198 11.683 -17.489 763 HD22 LEU 94 HD22 LEU 94 3.277 10.164 -17.391 764 HD23 LEU 94 HD23 LEU 94 2.423 11.725 -17.356 765 H VAL 95 H VAL 95 -1.108 10.060 -15.480 766 HA VAL 95 HA VAL 95 -1.078 11.168 -18.005 767 HB VAL 95 HB VAL 95 -3.116 9.975 -16.188 768 HG11 VAL 95 HG11 VAL 95 -3.840 11.287 -18.831 769 HG12 VAL 95 HG12 VAL 95 -4.914 10.294 -17.816 770 HG13 VAL 95 HG13 VAL 95 -4.323 11.863 -17.217 771 HG21 VAL 95 HG21 VAL 95 -2.855 9.130 -19.011 772 HG22 VAL 95 HG22 VAL 95 -1.385 8.946 -18.025 773 HG23 VAL 95 HG23 VAL 95 -2.901 8.161 -17.519 774 H LEU 96 H LEU 96 -2.703 12.356 -14.987 775 HA LEU 96 HA LEU 96 -3.278 14.851 -16.377 776 HB2 LEU 96 HB2 LEU 96 -4.609 15.343 -14.339 777 HB3 LEU 96 HB3 LEU 96 -5.147 13.957 -15.266 778 HG LEU 96 HG LEU 96 -3.289 13.190 -13.147 779 HD11 LEU 96 HD11 LEU 96 -4.166 15.103 -11.961 780 HD12 LEU 96 HD12 LEU 96 -5.837 14.622 -12.345 781 HD13 LEU 96 HD13 LEU 96 -4.845 13.610 -11.267 782 HD21 LEU 96 HD21 LEU 96 -4.795 11.435 -12.807 783 HD22 LEU 96 HD22 LEU 96 -6.172 12.363 -13.448 784 HD23 LEU 96 HD23 LEU 96 -4.906 11.773 -14.551 785 H LEU 97 H LEU 97 -1.401 13.471 -13.641 786 HA LEU 97 HA LEU 97 -0.005 14.482 -12.199 787 HB2 LEU 97 HB2 LEU 97 1.980 14.626 -13.210 788 HB3 LEU 97 HB3 LEU 97 1.082 14.027 -14.590 789 HG LEU 97 HG LEU 97 0.763 16.732 -14.887 790 HD11 LEU 97 HD11 LEU 97 3.610 16.912 -14.515 791 HD12 LEU 97 HD12 LEU 97 2.313 17.940 -13.860 792 HD13 LEU 97 HD13 LEU 97 2.823 16.480 -12.979 793 HD21 LEU 97 HD21 LEU 97 3.225 15.604 -16.095 794 HD22 LEU 97 HD22 LEU 97 1.718 14.697 -16.370 795 HD23 LEU 97 HD23 LEU 97 1.828 16.407 -16.852 796 H LEU 98 H LEU 98 -2.457 16.009 -12.586 797 HA LEU 98 HA LEU 98 -1.456 18.754 -12.549 798 HB2 LEU 98 HB2 LEU 98 -3.461 19.424 -13.301 799 HB3 LEU 98 HB3 LEU 98 -3.489 17.791 -13.935 800 HG LEU 98 HG LEU 98 -4.701 17.214 -11.681 801 HD11 LEU 98 HD11 LEU 98 -4.271 19.890 -11.197 802 HD12 LEU 98 HD12 LEU 98 -5.963 19.856 -11.750 803 HD13 LEU 98 HD13 LEU 98 -5.457 18.854 -10.368 804 HD21 LEU 98 HD21 LEU 98 -6.489 18.773 -13.471 805 HD22 LEU 98 HD22 LEU 98 -5.527 17.474 -14.216 806 HD23 LEU 98 HD23 LEU 98 -6.627 17.104 -12.867 807 H LEU 99 H LEU 99 -2.866 16.169 -10.565 808 HA LEU 99 HA LEU 99 -3.581 17.826 -8.395 809 HB2 LEU 99 HB2 LEU 99 -3.571 15.012 -9.081 810 HB3 LEU 99 HB3 LEU 99 -3.041 15.257 -7.429 811 HG LEU 99 HG LEU 99 -5.588 16.476 -8.511 812 HD11 LEU 99 HD11 LEU 99 -6.814 14.612 -7.516 813 HD12 LEU 99 HD12 LEU 99 -5.717 14.051 -8.801 814 HD13 LEU 99 HD13 LEU 99 -5.280 13.816 -7.092 815 HD21 LEU 99 HD21 LEU 99 -4.884 15.821 -5.648 816 HD22 LEU 99 HD22 LEU 99 -4.483 17.381 -6.406 817 HD23 LEU 99 HD23 LEU 99 -6.182 16.871 -6.266 Start of MODEL 4 1 H MET 1 H1 MET 1 -26.673 -31.860 13.473 2 HA MET 1 HA MET 1 -27.924 -33.497 11.927 3 HB2 MET 1 HB2 MET 1 -26.524 -35.131 14.050 4 HB3 MET 1 HB3 MET 1 -28.155 -35.621 13.635 5 HG2 MET 1 HG2 MET 1 -27.030 -35.218 11.121 6 HG3 MET 1 HG3 MET 1 -25.660 -35.822 12.033 7 HE1 MET 1 HE1 MET 1 -27.715 -36.517 9.730 8 HE2 MET 1 HE2 MET 1 -27.073 -38.176 9.663 9 HE3 MET 1 HE3 MET 1 -28.795 -37.902 10.022 10 H ASP 2 H ASP 2 -30.059 -33.019 12.269 11 HA ASP 2 HA ASP 2 -31.156 -33.183 14.865 12 HB2 ASP 2 HB2 ASP 2 -30.001 -30.700 14.176 13 HB3 ASP 2 HB3 ASP 2 -31.709 -30.470 13.859 14 H LEU 3 H LEU 3 -33.559 -31.905 14.584 15 HA LEU 3 HA LEU 3 -34.958 -33.383 12.750 16 HB2 LEU 3 HB2 LEU 3 -35.486 -30.925 14.346 17 HB3 LEU 3 HB3 LEU 3 -36.620 -31.331 13.073 18 HG LEU 3 HG LEU 3 -36.442 -33.738 14.305 19 HD11 LEU 3 HD11 LEU 3 -34.917 -32.987 16.031 20 HD12 LEU 3 HD12 LEU 3 -36.033 -31.679 16.491 21 HD13 LEU 3 HD13 LEU 3 -36.500 -33.378 16.745 22 HD21 LEU 3 HD21 LEU 3 -38.361 -32.025 15.686 23 HD22 LEU 3 HD22 LEU 3 -38.358 -31.780 13.923 24 HD23 LEU 3 HD23 LEU 3 -38.627 -33.406 14.594 25 H ILE 4 H ILE 4 -34.744 -29.787 12.416 26 HA ILE 4 HA ILE 4 -35.397 -29.603 9.823 27 HB ILE 4 HB ILE 4 -35.171 -27.613 10.933 28 HG12 ILE 4 HG12 ILE 4 -32.553 -27.472 9.458 29 HG13 ILE 4 HG13 ILE 4 -34.042 -27.742 8.575 30 HG21 ILE 4 HG21 ILE 4 -32.513 -27.238 11.730 31 HG22 ILE 4 HG22 ILE 4 -33.925 -27.547 12.769 32 HG23 ILE 4 HG23 ILE 4 -32.918 -28.904 12.210 33 HD11 ILE 4 HD11 ILE 4 -33.059 -25.288 9.890 34 HD12 ILE 4 HD12 ILE 4 -34.263 -25.476 8.592 35 HD13 ILE 4 HD13 ILE 4 -34.751 -25.668 10.294 36 H GLY 5 H GLY 5 -31.907 -29.077 10.471 37 HA2 GLY 5 HA2 GLY 5 -30.097 -30.224 9.648 38 HA3 GLY 5 HA3 GLY 5 -31.155 -31.302 8.759 39 H PHE 6 H PHE 6 -32.738 -29.607 7.223 40 HA PHE 6 HA PHE 6 -31.074 -29.021 5.098 41 HB2 PHE 6 HB2 PHE 6 -33.720 -29.310 5.464 42 HB3 PHE 6 HB3 PHE 6 -33.698 -27.575 5.707 43 HD1 PHE 6 HD2 PHE 6 -32.324 -30.047 3.257 44 HD2 PHE 6 HD1 PHE 6 -34.187 -26.284 3.870 45 HE1 PHE 6 HE2 PHE 6 -32.436 -29.698 0.774 46 HE2 PHE 6 HE1 PHE 6 -34.299 -25.935 1.387 47 HZ PHE 6 HZ PHE 6 -33.422 -27.646 -0.131 48 H GLY 7 H GLY 7 -32.797 -26.668 7.282 49 HA2 GLY 7 HA2 GLY 7 -31.728 -24.339 6.313 50 HA3 GLY 7 HA3 GLY 7 -32.211 -24.609 7.976 51 H TYR 8 H TYR 8 -30.364 -26.530 8.870 52 HA TYR 8 HA TYR 8 -28.169 -24.949 9.498 53 HB2 TYR 8 HB2 TYR 8 -29.287 -27.197 10.452 54 HB3 TYR 8 HB3 TYR 8 -28.206 -28.009 9.336 55 HD1 TYR 8 HD1 TYR 8 -28.307 -25.754 12.291 56 HD2 TYR 8 HD2 TYR 8 -25.901 -28.320 9.855 57 HE1 TYR 8 HE1 TYR 8 -26.440 -25.652 14.014 58 HE2 TYR 8 HE2 TYR 8 -24.043 -28.209 11.587 59 HH TYR 8 HH TYR 8 -23.554 -26.119 13.571 60 H ALA 9 H ALA 9 -28.585 -27.543 7.012 61 HA ALA 9 HA ALA 9 -25.868 -27.445 6.202 62 HB1 ALA 9 HB1 ALA 9 -27.431 -28.479 4.102 63 HB2 ALA 9 HB2 ALA 9 -26.614 -29.405 5.384 64 HB3 ALA 9 HB3 ALA 9 -28.312 -28.910 5.587 65 H ALA 10 H ALA 10 -28.800 -25.606 5.474 66 HA ALA 10 HA ALA 10 -28.017 -24.601 2.978 67 HB1 ALA 10 HB1 ALA 10 -30.181 -24.363 4.807 68 HB2 ALA 10 HB2 ALA 10 -29.594 -22.712 4.493 69 HB3 ALA 10 HB3 ALA 10 -30.091 -23.753 3.137 70 H LEU 11 H LEU 11 -27.955 -22.968 6.233 71 HA LEU 11 HA LEU 11 -26.419 -20.822 5.388 72 HB2 LEU 11 HB2 LEU 11 -26.136 -20.326 7.694 73 HB3 LEU 11 HB3 LEU 11 -27.764 -20.924 7.441 74 HG LEU 11 HG LEU 11 -26.551 -23.237 8.143 75 HD11 LEU 11 HD11 LEU 11 -24.979 -21.032 9.489 76 HD12 LEU 11 HD12 LEU 11 -25.084 -22.692 10.124 77 HD13 LEU 11 HD13 LEU 11 -24.366 -22.395 8.522 78 HD21 LEU 11 HD21 LEU 11 -27.435 -21.344 10.308 79 HD22 LEU 11 HD22 LEU 11 -28.586 -21.953 9.094 80 HD23 LEU 11 HD23 LEU 11 -27.716 -23.094 10.147 81 H VAL 12 H VAL 12 -25.481 -24.048 6.688 82 HA VAL 12 HA VAL 12 -22.787 -23.579 7.008 83 HB VAL 12 HB VAL 12 -24.457 -25.982 6.351 84 HG11 VAL 12 HG11 VAL 12 -21.513 -25.740 6.092 85 HG12 VAL 12 HG12 VAL 12 -22.097 -27.135 7.032 86 HG13 VAL 12 HG13 VAL 12 -22.642 -26.900 5.353 87 HG21 VAL 12 HG21 VAL 12 -24.195 -24.759 8.670 88 HG22 VAL 12 HG22 VAL 12 -24.216 -26.537 8.579 89 HG23 VAL 12 HG23 VAL 12 -22.669 -25.672 8.743 90 H THR 13 H THR 13 -24.603 -24.652 4.061 91 HA THR 13 HA THR 13 -22.332 -24.840 2.420 92 HB THR 13 HB THR 13 -25.328 -24.471 1.953 93 HG1 THR 13 HG1 THR 13 -25.105 -26.676 2.064 94 HG21 THR 13 HG21 THR 13 -23.107 -25.049 -0.080 95 HG22 THR 13 HG22 THR 13 -24.850 -25.222 -0.396 96 HG23 THR 13 HG23 THR 13 -24.160 -23.613 -0.074 97 H PHE 14 H PHE 14 -24.452 -22.096 3.304 98 HA PHE 14 HA PHE 14 -23.525 -20.348 1.339 99 HB2 PHE 14 HB2 PHE 14 -25.458 -20.348 3.244 100 HB3 PHE 14 HB3 PHE 14 -24.236 -19.513 4.182 101 HD1 PHE 14 HD1 PHE 14 -25.552 -19.320 0.683 102 HD2 PHE 14 HD2 PHE 14 -24.460 -17.230 4.211 103 HE1 PHE 14 HE1 PHE 14 -26.201 -17.152 -0.401 104 HE2 PHE 14 HE2 PHE 14 -25.109 -15.062 3.127 105 HZ PHE 14 HZ PHE 14 -25.972 -15.048 0.834 106 H GLY 15 H GLY 15 -22.536 -20.711 4.822 107 HA2 GLY 15 HA2 GLY 15 -20.478 -18.803 4.726 108 HA3 GLY 15 HA3 GLY 15 -20.666 -20.088 5.902 109 H SER 16 H SER 16 -20.672 -22.206 3.699 110 HA SER 16 HA SER 16 -17.907 -22.659 3.762 111 HB2 SER 16 HB2 SER 16 -20.286 -24.125 3.141 112 HB3 SER 16 HB3 SER 16 -19.232 -24.271 1.749 113 HG SER 16 HG SER 16 -18.419 -24.795 4.481 114 H ILE 17 H ILE 17 -20.254 -21.688 1.180 115 HA ILE 17 HA ILE 17 -18.283 -21.596 -0.851 116 HB ILE 17 HB ILE 17 -21.074 -20.473 -0.628 117 HG12 ILE 17 HG12 ILE 17 -21.055 -22.876 -0.592 118 HG13 ILE 17 HG13 ILE 17 -21.625 -22.340 -2.161 119 HG21 ILE 17 HG21 ILE 17 -21.020 -19.989 -2.975 120 HG22 ILE 17 HG22 ILE 17 -19.651 -19.156 -2.200 121 HG23 ILE 17 HG23 ILE 17 -19.374 -20.650 -3.128 122 HD11 ILE 17 HD11 ILE 17 -20.055 -23.734 -3.035 123 HD12 ILE 17 HD12 ILE 17 -18.863 -22.507 -2.545 124 HD13 ILE 17 HD13 ILE 17 -19.212 -23.886 -1.475 125 H PHE 18 H PHE 18 -20.186 -18.875 0.633 126 HA PHE 18 HA PHE 18 -18.586 -16.862 -0.293 127 HB2 PHE 18 HB2 PHE 18 -20.574 -17.404 1.856 128 HB3 PHE 18 HB3 PHE 18 -19.463 -16.127 2.312 129 HD1 PHE 18 HD1 PHE 18 -21.479 -17.131 -0.675 130 HD2 PHE 18 HD2 PHE 18 -20.096 -13.976 1.803 131 HE1 PHE 18 HE1 PHE 18 -22.816 -15.488 -2.021 132 HE2 PHE 18 HE2 PHE 18 -21.432 -12.333 0.456 133 HZ PHE 18 HZ PHE 18 -22.776 -13.108 -1.440 134 H GLY 19 H GLY 19 -18.311 -18.699 2.820 135 HA2 GLY 19 HA2 GLY 19 -16.692 -18.669 4.404 136 HA3 GLY 19 HA3 GLY 19 -15.639 -18.892 3.021 137 H TYR 20 H TYR 20 -17.550 -16.130 4.437 138 HA TYR 20 HA TYR 20 -17.015 -13.993 4.738 139 HB2 TYR 20 HB2 TYR 20 -14.756 -15.740 5.693 140 HB3 TYR 20 HB3 TYR 20 -14.313 -14.055 5.502 141 HD1 TYR 20 HD1 TYR 20 -15.292 -12.321 6.933 142 HD2 TYR 20 HD2 TYR 20 -16.356 -16.438 7.410 143 HE1 TYR 20 HE1 TYR 20 -16.310 -11.803 9.205 144 HE2 TYR 20 HE2 TYR 20 -17.370 -15.905 9.680 145 HH TYR 20 HH TYR 20 -16.706 -13.543 11.439 146 H LYS 21 H LYS 21 -17.158 -13.155 2.615 147 HA LYS 21 HA LYS 21 -15.240 -13.455 0.655 148 HB2 LYS 21 HB2 LYS 21 -17.669 -12.430 0.667 149 HB3 LYS 21 HB3 LYS 21 -16.822 -10.915 0.907 150 HG2 LYS 21 HG2 LYS 21 -15.356 -11.532 -1.109 151 HG3 LYS 21 HG3 LYS 21 -16.439 -12.880 -1.396 152 HD2 LYS 21 HD2 LYS 21 -18.063 -10.527 -1.014 153 HD3 LYS 21 HD3 LYS 21 -16.788 -10.112 -2.143 154 HE2 LYS 21 HE2 LYS 21 -17.362 -12.139 -3.516 155 HE3 LYS 21 HE3 LYS 21 -18.657 -12.518 -2.398 156 HZ1 LYS 21 HZ1 LYS 21 -18.745 -10.786 -4.531 157 HZ2 LYS 21 HZ2 LYS 21 -19.929 -11.083 -3.446 158 HZ3 LYS 21 HZ3 LYS 21 -18.882 -9.854 -3.197 159 H ARG 22 H ARG 22 -13.102 -13.046 0.818 160 HA ARG 22 HA ARG 22 -12.192 -10.481 1.174 161 HB2 ARG 22 HB2 ARG 22 -12.859 -11.403 3.649 162 HB3 ARG 22 HB3 ARG 22 -11.240 -12.065 3.552 163 HG2 ARG 22 HG2 ARG 22 -10.912 -9.445 2.600 164 HG3 ARG 22 HG3 ARG 22 -12.099 -9.258 3.876 165 HD2 ARG 22 HD2 ARG 22 -10.109 -11.064 4.879 166 HD3 ARG 22 HD3 ARG 22 -9.243 -9.748 4.113 167 HE ARG 22 HE ARG 22 -9.882 -8.394 5.893 168 HH11 ARG 22 HH22 ARG 22 -12.265 -10.960 5.544 169 HH12 ARG 22 HH21 ARG 22 -13.195 -10.457 6.916 170 HH21 ARG 22 HH12 ARG 22 -11.109 -7.731 7.704 171 HH22 ARG 22 HH11 ARG 22 -12.533 -8.608 8.153 172 H ARG 23 H ARG 23 -11.725 -12.390 -0.744 173 HA ARG 23 HA ARG 23 -9.670 -14.140 -0.254 174 HB2 ARG 23 HB2 ARG 23 -11.269 -13.551 -2.406 175 HB3 ARG 23 HB3 ARG 23 -9.765 -12.842 -2.959 176 HG2 ARG 23 HG2 ARG 23 -8.662 -15.110 -2.258 177 HG3 ARG 23 HG3 ARG 23 -10.297 -15.737 -2.194 178 HD2 ARG 23 HD2 ARG 23 -9.527 -14.203 -4.667 179 HD3 ARG 23 HD3 ARG 23 -8.806 -15.787 -4.461 180 HE ARG 23 HE ARG 23 -11.683 -15.813 -3.973 181 HH11 ARG 23 HH22 ARG 23 -9.216 -15.944 -6.479 182 HH12 ARG 23 HH21 ARG 23 -10.232 -16.768 -7.615 183 HH21 ARG 23 HH12 ARG 23 -13.024 -16.901 -5.471 184 HH22 ARG 23 HH11 ARG 23 -12.412 -17.316 -7.037 185 H GLY 24 H GLY 24 -7.909 -13.218 -2.586 186 HA2 GLY 24 HA2 GLY 24 -6.471 -11.324 -2.964 187 HA3 GLY 24 HA3 GLY 24 -6.499 -10.993 -1.243 188 H GLY 25 H GLY 25 -4.877 -12.641 -3.805 189 HA2 GLY 25 HA2 GLY 25 -2.616 -13.281 -2.402 190 HA3 GLY 25 HA3 GLY 25 -3.633 -14.699 -2.247 191 H VAL 26 H VAL 26 -4.654 -15.539 -4.381 192 HA VAL 26 HA VAL 26 -2.539 -15.967 -6.208 193 HB VAL 26 HB VAL 26 -5.251 -16.920 -5.695 194 HG11 VAL 26 HG11 VAL 26 -5.621 -17.783 -8.003 195 HG12 VAL 26 HG12 VAL 26 -5.749 -16.012 -7.883 196 HG13 VAL 26 HG13 VAL 26 -4.283 -16.754 -8.568 197 HG21 VAL 26 HG21 VAL 26 -2.581 -17.993 -6.482 198 HG22 VAL 26 HG22 VAL 26 -3.698 -18.519 -5.200 199 HG23 VAL 26 HG23 VAL 26 -4.012 -18.969 -6.894 200 HA PRO 27 HA PRO 27 -5.112 -13.070 -8.918 201 HB2 PRO 27 HB2 PRO 27 -7.197 -11.667 -7.842 202 HB3 PRO 27 HB3 PRO 27 -7.402 -13.182 -8.699 203 HG2 PRO 27 HG2 PRO 27 -7.528 -12.665 -5.791 204 HG3 PRO 27 HG3 PRO 27 -8.136 -14.042 -6.688 205 HD2 PRO 27 HD2 PRO 27 -5.754 -13.949 -5.093 206 HD3 PRO 27 HD3 PRO 27 -6.301 -15.288 -6.083 207 H SER 28 H SER 28 -3.777 -11.487 -9.491 208 HA SER 28 HA SER 28 -2.867 -9.832 -7.328 209 HB2 SER 28 HB2 SER 28 -2.040 -9.604 -10.242 210 HB3 SER 28 HB3 SER 28 -1.133 -9.115 -8.825 211 HG SER 28 HG SER 28 -1.735 -11.787 -8.636 212 H LEU 29 H LEU 29 -5.212 -9.799 -9.905 213 HA LEU 29 HA LEU 29 -5.326 -7.215 -10.716 214 HB2 LEU 29 HB2 LEU 29 -7.855 -7.643 -10.793 215 HB3 LEU 29 HB3 LEU 29 -6.784 -8.637 -11.760 216 HG LEU 29 HG LEU 29 -7.206 -9.860 -9.169 217 HD11 LEU 29 HD11 LEU 29 -9.301 -8.875 -8.924 218 HD12 LEU 29 HD12 LEU 29 -9.652 -8.945 -10.668 219 HD13 LEU 29 HD13 LEU 29 -9.665 -10.437 -9.696 220 HD21 LEU 29 HD21 LEU 29 -8.194 -10.919 -11.807 221 HD22 LEU 29 HD22 LEU 29 -6.453 -10.824 -11.450 222 HD23 LEU 29 HD23 LEU 29 -7.522 -11.797 -10.412 223 H ILE 30 H ILE 30 -6.767 -8.611 -7.697 224 HA ILE 30 HA ILE 30 -7.843 -6.194 -6.802 225 HB ILE 30 HB ILE 30 -8.527 -8.396 -6.014 226 HG12 ILE 30 HG12 ILE 30 -8.902 -7.809 -3.737 227 HG13 ILE 30 HG13 ILE 30 -7.465 -6.807 -3.671 228 HG21 ILE 30 HG21 ILE 30 -6.319 -9.475 -5.986 229 HG22 ILE 30 HG22 ILE 30 -5.861 -8.491 -4.575 230 HG23 ILE 30 HG23 ILE 30 -7.183 -9.676 -4.443 231 HD11 ILE 30 HD11 ILE 30 -9.542 -6.133 -5.747 232 HD12 ILE 30 HD12 ILE 30 -9.887 -5.734 -4.047 233 HD13 ILE 30 HD13 ILE 30 -8.450 -5.054 -4.847 234 H ALA 31 H ALA 31 -4.575 -7.588 -6.680 235 HA ALA 31 HA ALA 31 -3.540 -5.993 -4.643 236 HB1 ALA 31 HB1 ALA 31 -1.658 -7.136 -5.151 237 HB2 ALA 31 HB2 ALA 31 -2.653 -8.006 -6.343 238 HB3 ALA 31 HB3 ALA 31 -1.690 -6.596 -6.847 239 H GLY 32 H GLY 32 -3.624 -5.510 -8.241 240 HA2 GLY 32 HA2 GLY 32 -2.332 -3.030 -8.267 241 HA3 GLY 32 HA3 GLY 32 -3.422 -3.654 -9.489 242 H LEU 33 H LEU 33 -5.891 -3.802 -8.390 243 HA LEU 33 HA LEU 33 -6.838 -1.253 -8.428 244 HB2 LEU 33 HB2 LEU 33 -8.313 -3.045 -8.755 245 HB3 LEU 33 HB3 LEU 33 -7.896 -3.797 -7.229 246 HG LEU 33 HG LEU 33 -8.929 -1.254 -6.565 247 HD11 LEU 33 HD11 LEU 33 -11.035 -2.559 -8.228 248 HD12 LEU 33 HD12 LEU 33 -10.822 -0.852 -7.769 249 HD13 LEU 33 HD13 LEU 33 -9.811 -1.561 -9.051 250 HD21 LEU 33 HD21 LEU 33 -10.803 -2.625 -5.613 251 HD22 LEU 33 HD22 LEU 33 -10.072 -4.050 -6.387 252 HD23 LEU 33 HD23 LEU 33 -9.170 -3.153 -5.143 253 H PHE 34 H PHE 34 -5.804 -3.199 -5.566 254 HA PHE 34 HA PHE 34 -6.567 -1.373 -3.632 255 HB2 PHE 34 HB2 PHE 34 -5.577 -3.849 -3.615 256 HB3 PHE 34 HB3 PHE 34 -4.012 -3.061 -3.599 257 HD1 PHE 34 HD2 PHE 34 -7.257 -2.997 -1.753 258 HD2 PHE 34 HD1 PHE 34 -3.037 -2.592 -1.558 259 HE1 PHE 34 HE2 PHE 34 -7.394 -2.776 0.743 260 HE2 PHE 34 HE1 PHE 34 -3.174 -2.371 0.938 261 HZ PHE 34 HZ PHE 34 -5.351 -2.465 2.059 262 H VAL 35 H VAL 35 -3.357 -1.784 -5.289 263 HA VAL 35 HA VAL 35 -1.994 0.194 -3.980 264 HB VAL 35 HB VAL 35 -1.870 -1.002 -6.722 265 HG11 VAL 35 HG11 VAL 35 -1.214 1.306 -7.109 266 HG12 VAL 35 HG12 VAL 35 -0.099 1.253 -5.722 267 HG13 VAL 35 HG13 VAL 35 0.223 0.257 -7.162 268 HG21 VAL 35 HG21 VAL 35 0.580 -1.267 -5.447 269 HG22 VAL 35 HG22 VAL 35 -0.596 -1.385 -4.116 270 HG23 VAL 35 HG23 VAL 35 -0.713 -2.488 -5.508 271 H GLY 36 H GLY 36 -4.349 0.439 -6.681 272 HA2 GLY 36 HA2 GLY 36 -3.901 3.214 -7.158 273 HA3 GLY 36 HA3 GLY 36 -5.239 2.233 -7.724 274 H CYS 37 H CYS 37 -6.148 1.276 -5.107 275 HA CYS 37 HA CYS 37 -7.882 3.344 -4.474 276 HB2 CYS 37 HB2 CYS 37 -7.500 0.621 -3.716 277 HB3 CYS 37 HB3 CYS 37 -7.621 1.557 -2.239 278 HG CYS 37 HG CYS 37 -9.927 0.429 -3.438 279 H LEU 38 H LEU 38 -4.939 2.050 -2.771 280 HA LEU 38 HA LEU 38 -5.002 4.000 -0.740 281 HB2 LEU 38 HB2 LEU 38 -2.826 3.161 -0.151 282 HB3 LEU 38 HB3 LEU 38 -3.931 1.841 -0.480 283 HG LEU 38 HG LEU 38 -2.869 1.824 -2.852 284 HD11 LEU 38 HD11 LEU 38 -1.393 3.955 -1.663 285 HD12 LEU 38 HD12 LEU 38 -0.277 2.603 -1.973 286 HD13 LEU 38 HD13 LEU 38 -1.255 3.272 -3.301 287 HD21 LEU 38 HD21 LEU 38 -0.845 0.512 -1.843 288 HD22 LEU 38 HD22 LEU 38 -1.683 0.793 -0.297 289 HD23 LEU 38 HD23 LEU 38 -2.507 -0.082 -1.610 290 H ALA 39 H ALA 39 -3.683 3.879 -4.039 291 HA ALA 39 HA ALA 39 -1.872 5.979 -3.832 292 HB1 ALA 39 HB1 ALA 39 -2.320 6.149 -6.339 293 HB2 ALA 39 HB2 ALA 39 -1.842 4.540 -5.744 294 HB3 ALA 39 HB3 ALA 39 -3.550 4.881 -6.114 295 H GLY 40 H GLY 40 -5.422 5.911 -4.475 296 HA2 GLY 40 HA2 GLY 40 -5.634 8.712 -4.947 297 HA3 GLY 40 HA3 GLY 40 -6.934 7.579 -4.636 298 H TYR 41 H TYR 41 -6.795 6.641 -2.183 299 HA TYR 41 HA TYR 41 -7.605 8.595 -0.504 300 HB2 TYR 41 HB2 TYR 41 -7.681 6.078 -0.192 301 HB3 TYR 41 HB3 TYR 41 -5.944 6.054 0.038 302 HD1 TYR 41 HD1 TYR 41 -9.169 7.026 1.557 303 HD2 TYR 41 HD2 TYR 41 -4.946 6.679 2.152 304 HE1 TYR 41 HE1 TYR 41 -9.489 7.334 4.061 305 HE2 TYR 41 HE2 TYR 41 -5.280 6.989 4.653 306 HH TYR 41 HH TYR 41 -6.705 7.592 6.215 307 H GLY 42 H GLY 42 -4.234 7.587 -1.196 308 HA2 GLY 42 HA2 GLY 42 -3.156 9.255 0.913 309 HA3 GLY 42 HA3 GLY 42 -2.273 8.283 -0.247 310 H ALA 43 H ALA 43 -3.759 9.380 -2.616 311 HA ALA 43 HA ALA 43 -2.046 11.559 -3.127 312 HB1 ALA 43 HB1 ALA 43 -3.820 11.707 -5.131 313 HB2 ALA 43 HB2 ALA 43 -2.593 10.420 -5.053 314 HB3 ALA 43 HB3 ALA 43 -4.259 10.095 -4.518 315 H TYR 44 H TYR 44 -5.157 11.232 -1.569 316 HA TYR 44 HA TYR 44 -6.187 13.785 -2.164 317 HB2 TYR 44 HB2 TYR 44 -6.986 11.435 -0.937 318 HB3 TYR 44 HB3 TYR 44 -6.627 12.386 0.490 319 HD1 TYR 44 HD1 TYR 44 -7.710 14.825 0.506 320 HD2 TYR 44 HD2 TYR 44 -9.133 11.534 -1.829 321 HE1 TYR 44 HE1 TYR 44 -10.000 15.918 0.346 322 HE2 TYR 44 HE2 TYR 44 -11.417 12.639 -1.981 323 HH TYR 44 HH TYR 44 -12.606 14.570 -0.173 324 H ARG 45 H ARG 45 -3.800 12.577 0.180 325 HA ARG 45 HA ARG 45 -3.855 15.170 1.472 326 HB2 ARG 45 HB2 ARG 45 -3.382 12.458 2.379 327 HB3 ARG 45 HB3 ARG 45 -1.931 13.392 2.686 328 HG2 ARG 45 HG2 ARG 45 -3.528 15.199 3.692 329 HG3 ARG 45 HG3 ARG 45 -4.753 13.945 3.681 330 HD2 ARG 45 HD2 ARG 45 -2.501 12.679 4.822 331 HD3 ARG 45 HD3 ARG 45 -2.465 14.294 5.502 332 HE ARG 45 HE ARG 45 -5.138 13.109 5.558 333 HH11 ARG 45 HH22 ARG 45 -2.064 13.329 7.256 334 HH12 ARG 45 HH21 ARG 45 -2.742 12.928 8.799 335 HH21 ARG 45 HH12 ARG 45 -6.033 12.580 7.593 336 HH22 ARG 45 HH11 ARG 45 -5.015 12.499 8.991 337 H VAL 46 H VAL 46 -2.473 13.846 -1.189 338 HA VAL 46 HA VAL 46 0.283 14.463 -0.702 339 HB VAL 46 HB VAL 46 -1.392 13.458 -2.956 340 HG11 VAL 46 HG11 VAL 46 0.680 13.572 -4.431 341 HG12 VAL 46 HG12 VAL 46 -0.183 15.106 -4.166 342 HG13 VAL 46 HG13 VAL 46 1.321 14.766 -3.277 343 HG21 VAL 46 HG21 VAL 46 0.920 12.537 -1.300 344 HG22 VAL 46 HG22 VAL 46 -0.545 11.665 -1.812 345 HG23 VAL 46 HG23 VAL 46 0.787 11.921 -2.964 346 H SER 47 H SER 47 -2.400 16.385 -0.911 347 HA SER 47 HA SER 47 -2.121 18.214 -2.785 348 HB2 SER 47 HB2 SER 47 -3.649 18.154 -0.671 349 HB3 SER 47 HB3 SER 47 -2.392 19.093 0.110 350 HG SER 47 HG SER 47 -3.620 19.870 -2.393 351 H ASN 48 H ASN 48 -1.055 20.418 -2.854 352 HA ASN 48 HA ASN 48 0.600 21.826 -2.531 353 HB2 ASN 48 HB2 ASN 48 0.766 20.446 -0.119 354 HB3 ASN 48 HB3 ASN 48 2.349 20.132 -0.803 355 HD21 ASN 48 HD21 ASN 48 3.100 21.383 1.013 356 HD22 ASN 48 HD22 ASN 48 3.166 23.111 0.924 357 H ASP 49 H ASP 49 2.182 18.587 -1.958 358 HA ASP 49 HA ASP 49 3.089 18.496 -4.651 359 HB2 ASP 49 HB2 ASP 49 4.714 19.993 -3.144 360 HB3 ASP 49 HB3 ASP 49 5.277 18.439 -2.560 361 H LYS 50 H LYS 50 4.219 17.361 -1.366 362 HA LYS 50 HA LYS 50 4.616 15.329 -0.574 363 HB2 LYS 50 HB2 LYS 50 1.890 15.573 -1.180 364 HB3 LYS 50 HB3 LYS 50 2.322 13.972 -1.743 365 HG2 LYS 50 HG2 LYS 50 2.122 13.307 0.425 366 HG3 LYS 50 HG3 LYS 50 3.657 14.106 0.699 367 HD2 LYS 50 HD2 LYS 50 1.405 16.010 0.716 368 HD3 LYS 50 HD3 LYS 50 1.207 14.751 1.919 369 HE2 LYS 50 HE2 LYS 50 3.058 15.428 3.148 370 HE3 LYS 50 HE3 LYS 50 3.947 15.954 1.732 371 HZ1 LYS 50 HZ1 LYS 50 3.098 17.739 3.217 372 HZ2 LYS 50 HZ2 LYS 50 2.700 17.915 1.643 373 HZ3 LYS 50 HZ3 LYS 50 1.585 17.388 2.713 374 H ARG 51 H ARG 51 4.001 12.703 -1.597 375 HA ARG 51 HA ARG 51 6.193 12.484 -3.342 376 HB2 ARG 51 HB2 ARG 51 5.489 10.016 -3.378 377 HB3 ARG 51 HB3 ARG 51 5.809 10.678 -1.787 378 HG2 ARG 51 HG2 ARG 51 3.042 11.195 -2.369 379 HG3 ARG 51 HG3 ARG 51 3.352 9.525 -2.802 380 HD2 ARG 51 HD2 ARG 51 3.889 10.842 -0.100 381 HD3 ARG 51 HD3 ARG 51 2.697 9.605 -0.447 382 HE ARG 51 HE ARG 51 5.411 8.769 -1.137 383 HH11 ARG 51 HH22 ARG 51 3.072 9.016 1.480 384 HH12 ARG 51 HH21 ARG 51 3.800 7.757 2.420 385 HH21 ARG 51 HH12 ARG 51 6.372 7.107 0.103 386 HH22 ARG 51 HH11 ARG 51 5.689 6.664 1.632 387 H ASP 52 H ASP 52 5.587 10.563 -5.242 388 HA ASP 52 HA ASP 52 3.246 11.487 -6.648 389 HB2 ASP 52 HB2 ASP 52 6.101 11.662 -7.693 390 HB3 ASP 52 HB3 ASP 52 4.735 11.585 -8.788 391 H VAL 53 H VAL 53 6.304 9.710 -7.536 392 HA VAL 53 HA VAL 53 4.639 7.369 -8.131 393 HB VAL 53 HB VAL 53 7.404 8.079 -9.127 394 HG11 VAL 53 HG11 VAL 53 5.833 6.246 -10.754 395 HG12 VAL 53 HG12 VAL 53 7.477 6.065 -10.097 396 HG13 VAL 53 HG13 VAL 53 6.068 5.622 -9.103 397 HG21 VAL 53 HG21 VAL 53 4.753 8.335 -10.584 398 HG22 VAL 53 HG22 VAL 53 5.672 9.692 -9.889 399 HG23 VAL 53 HG23 VAL 53 6.367 8.735 -11.219 400 H LYS 54 H LYS 54 6.770 8.720 -5.839 401 HA LYS 54 HA LYS 54 8.386 6.573 -5.169 402 HB2 LYS 54 HB2 LYS 54 7.398 9.038 -3.826 403 HB3 LYS 54 HB3 LYS 54 8.030 7.780 -2.783 404 HG2 LYS 54 HG2 LYS 54 10.145 8.370 -3.334 405 HG3 LYS 54 HG3 LYS 54 9.825 7.982 -5.013 406 HD2 LYS 54 HD2 LYS 54 9.597 10.181 -5.608 407 HD3 LYS 54 HD3 LYS 54 8.631 10.562 -4.196 408 HE2 LYS 54 HE2 LYS 54 10.506 11.047 -2.862 409 HE3 LYS 54 HE3 LYS 54 11.572 10.011 -3.790 410 HZ1 LYS 54 HZ1 LYS 54 10.927 12.739 -4.206 411 HZ2 LYS 54 HZ2 LYS 54 12.193 11.876 -4.770 412 HZ3 LYS 54 HZ3 LYS 54 10.772 11.863 -5.575 413 H VAL 55 H VAL 55 5.035 7.421 -4.108 414 HA VAL 55 HA VAL 55 4.805 5.262 -2.326 415 HB VAL 55 HB VAL 55 3.429 7.280 -2.266 416 HG11 VAL 55 HG11 VAL 55 3.243 7.315 -4.866 417 HG12 VAL 55 HG12 VAL 55 1.822 6.275 -4.608 418 HG13 VAL 55 HG13 VAL 55 1.878 7.901 -3.887 419 HG21 VAL 55 HG21 VAL 55 1.523 6.242 -1.470 420 HG22 VAL 55 HG22 VAL 55 1.481 5.056 -2.798 421 HG23 VAL 55 HG23 VAL 55 2.673 4.883 -1.487 422 H SER 56 H SER 56 4.101 5.688 -5.830 423 HA SER 56 HA SER 56 2.697 3.410 -6.260 424 HB2 SER 56 HB2 SER 56 3.618 5.386 -7.844 425 HB3 SER 56 HB3 SER 56 4.806 4.169 -8.267 426 HG SER 56 HG SER 56 3.335 3.132 -9.425 427 H LEU 57 H LEU 57 6.275 3.772 -6.866 428 HA LEU 57 HA LEU 57 6.722 1.030 -7.111 429 HB2 LEU 57 HB2 LEU 57 8.124 3.187 -7.715 430 HB3 LEU 57 HB3 LEU 57 8.855 2.887 -6.151 431 HG LEU 57 HG LEU 57 8.788 0.413 -7.601 432 HD11 LEU 57 HD11 LEU 57 8.728 1.363 -9.701 433 HD12 LEU 57 HD12 LEU 57 9.630 2.812 -9.195 434 HD13 LEU 57 HD13 LEU 57 10.480 1.261 -9.401 435 HD21 LEU 57 HD21 LEU 57 11.399 1.038 -7.486 436 HD22 LEU 57 HD22 LEU 57 10.767 2.193 -6.287 437 HD23 LEU 57 HD23 LEU 57 10.468 0.450 -6.087 438 H PHE 58 H PHE 58 7.713 3.190 -4.356 439 HA PHE 58 HA PHE 58 8.540 1.425 -2.579 440 HB2 PHE 58 HB2 PHE 58 8.171 3.918 -2.276 441 HB3 PHE 58 HB3 PHE 58 6.446 3.641 -2.151 442 HD1 PHE 58 HD2 PHE 58 5.643 2.136 -0.209 443 HD2 PHE 58 HD1 PHE 58 9.498 3.902 -0.359 444 HE1 PHE 58 HE2 PHE 58 5.869 1.854 2.274 445 HE2 PHE 58 HE1 PHE 58 9.724 3.620 2.124 446 HZ PHE 58 HZ PHE 58 7.907 2.599 3.412 447 H THR 59 H THR 59 5.116 1.882 -3.548 448 HA THR 59 HA THR 59 4.067 0.203 -1.506 449 HB THR 59 HB THR 59 3.045 1.371 -4.135 450 HG1 THR 59 HG1 THR 59 2.568 2.928 -2.637 451 HG21 THR 59 HG21 THR 59 0.753 0.757 -3.013 452 HG22 THR 59 HG22 THR 59 1.604 -0.527 -3.905 453 HG23 THR 59 HG23 THR 59 1.685 -0.474 -2.128 454 H ALA 60 H ALA 60 4.419 -0.339 -5.081 455 HA ALA 60 HA ALA 60 3.704 -2.943 -5.157 456 HB1 ALA 60 HB1 ALA 60 4.544 -2.861 -7.275 457 HB2 ALA 60 HB2 ALA 60 4.753 -1.132 -6.905 458 HB3 ALA 60 HB3 ALA 60 6.127 -2.251 -6.735 459 H PHE 61 H PHE 61 6.902 -1.576 -4.189 460 HA PHE 61 HA PHE 61 8.200 -4.030 -3.925 461 HB2 PHE 61 HB2 PHE 61 8.479 -1.159 -3.184 462 HB3 PHE 61 HB3 PHE 61 9.224 -2.208 -1.995 463 HD1 PHE 61 HD1 PHE 61 9.301 -1.142 -5.512 464 HD2 PHE 61 HD2 PHE 61 11.225 -3.435 -2.503 465 HE1 PHE 61 HE1 PHE 61 11.331 -1.355 -6.972 466 HE2 PHE 61 HE2 PHE 61 13.255 -3.648 -3.964 467 HZ PHE 61 HZ PHE 61 13.284 -2.606 -6.181 468 H PHE 62 H PHE 62 6.442 -1.971 -1.510 469 HA PHE 62 HA PHE 62 6.946 -3.689 0.650 470 HB2 PHE 62 HB2 PHE 62 5.818 -1.173 0.127 471 HB3 PHE 62 HB3 PHE 62 4.396 -2.107 0.548 472 HD1 PHE 62 HD1 PHE 62 7.659 -0.919 1.786 473 HD2 PHE 62 HD2 PHE 62 3.975 -2.765 2.800 474 HE1 PHE 62 HE1 PHE 62 8.172 -0.604 4.223 475 HE2 PHE 62 HE2 PHE 62 4.488 -2.450 5.237 476 HZ PHE 62 HZ PHE 62 6.580 -1.373 5.919 477 H LEU 63 H LEU 63 3.772 -3.060 -1.018 478 HA LEU 63 HA LEU 63 2.348 -5.074 0.072 479 HB2 LEU 63 HB2 LEU 63 2.146 -3.324 -2.154 480 HB3 LEU 63 HB3 LEU 63 1.694 -4.923 -2.708 481 HG LEU 63 HG LEU 63 0.492 -3.908 -0.160 482 HD11 LEU 63 HD11 LEU 63 -1.270 -3.203 -2.270 483 HD12 LEU 63 HD12 LEU 63 -0.489 -2.143 -1.071 484 HD13 LEU 63 HD13 LEU 63 0.313 -2.470 -2.626 485 HD21 LEU 63 HD21 LEU 63 -0.098 -6.126 -0.652 486 HD22 LEU 63 HD22 LEU 63 -1.497 -5.155 -1.170 487 HD23 LEU 63 HD23 LEU 63 -0.346 -5.773 -2.379 488 H ALA 64 H ALA 64 4.776 -5.293 -2.561 489 HA ALA 64 HA ALA 64 4.233 -7.917 -3.319 490 HB1 ALA 64 HB1 ALA 64 6.698 -7.803 -4.058 491 HB2 ALA 64 HB2 ALA 64 5.597 -6.573 -4.724 492 HB3 ALA 64 HB3 ALA 64 6.699 -6.152 -3.391 493 H THR 65 H THR 65 6.841 -6.677 -1.100 494 HA THR 65 HA THR 65 7.662 -9.174 -0.213 495 HB THR 65 HB THR 65 7.683 -6.398 1.079 496 HG1 THR 65 HG1 THR 65 8.935 -6.512 -0.835 497 HG21 THR 65 HG21 THR 65 9.623 -7.269 2.385 498 HG22 THR 65 HG22 THR 65 8.140 -8.161 2.803 499 HG23 THR 65 HG23 THR 65 9.344 -8.895 1.716 500 H ILE 66 H ILE 66 5.509 -6.875 1.597 501 HA ILE 66 HA ILE 66 4.831 -8.507 3.633 502 HB ILE 66 HB ILE 66 3.177 -6.493 2.121 503 HG12 ILE 66 HG12 ILE 66 5.314 -5.798 3.298 504 HG13 ILE 66 HG13 ILE 66 3.856 -4.937 3.749 505 HG21 ILE 66 HG21 ILE 66 1.789 -6.432 4.247 506 HG22 ILE 66 HG22 ILE 66 1.546 -7.833 3.176 507 HG23 ILE 66 HG23 ILE 66 2.522 -8.001 4.656 508 HD11 ILE 66 HD11 ILE 66 5.311 -5.659 5.705 509 HD12 ILE 66 HD12 ILE 66 3.623 -6.217 5.798 510 HD13 ILE 66 HD13 ILE 66 4.907 -7.344 5.299 511 H MET 67 H MET 67 3.155 -8.351 0.416 512 HA MET 67 HA MET 67 1.247 -10.183 0.838 513 HB2 MET 67 HB2 MET 67 2.973 -9.441 -1.543 514 HB3 MET 67 HB3 MET 67 1.883 -10.801 -1.723 515 HG2 MET 67 HG2 MET 67 -0.058 -9.459 -1.362 516 HG3 MET 67 HG3 MET 67 0.854 -8.173 -0.597 517 HE1 MET 67 HE1 MET 67 0.714 -10.403 -3.494 518 HE2 MET 67 HE2 MET 67 -0.243 -9.329 -4.541 519 HE3 MET 67 HE3 MET 67 1.501 -9.533 -4.832 520 H GLY 68 H GLY 68 4.406 -11.049 -0.758 521 HA2 GLY 68 HA2 GLY 68 5.432 -13.056 -0.940 522 HA3 GLY 68 HA3 GLY 68 5.263 -13.074 0.804 523 H VAL 69 H VAL 69 2.940 -13.452 -1.976 524 HA VAL 69 HA VAL 69 1.134 -15.070 -0.844 525 HB VAL 69 HB VAL 69 2.298 -15.365 -3.621 526 HG11 VAL 69 HG11 VAL 69 -0.414 -15.840 -3.788 527 HG12 VAL 69 HG12 VAL 69 0.857 -17.085 -3.753 528 HG13 VAL 69 HG13 VAL 69 0.023 -16.623 -2.250 529 HG21 VAL 69 HG21 VAL 69 1.658 -13.211 -3.809 530 HG22 VAL 69 HG22 VAL 69 0.013 -13.887 -3.897 531 HG23 VAL 69 HG23 VAL 69 0.643 -13.276 -2.348 532 H ARG 70 H ARG 70 4.144 -16.255 -2.509 533 HA ARG 70 HA ARG 70 4.263 -18.347 -0.557 534 HB2 ARG 70 HB2 ARG 70 2.934 -18.944 -2.892 535 HB3 ARG 70 HB3 ARG 70 4.573 -19.341 -3.367 536 HG2 ARG 70 HG2 ARG 70 3.688 -21.365 -2.449 537 HG3 ARG 70 HG3 ARG 70 4.746 -20.728 -1.206 538 HD2 ARG 70 HD2 ARG 70 2.641 -19.582 -0.208 539 HD3 ARG 70 HD3 ARG 70 1.702 -20.578 -1.302 540 HE ARG 70 HE ARG 70 3.539 -22.272 0.087 541 HH11 ARG 70 HH22 ARG 70 0.668 -20.337 0.714 542 HH12 ARG 70 HH21 ARG 70 0.141 -21.318 2.041 543 HH21 ARG 70 HH12 ARG 70 2.844 -23.567 1.837 544 HH22 ARG 70 HH11 ARG 70 1.387 -23.167 2.684 545 H PHE 71 H PHE 71 5.572 -17.376 -3.821 546 HA PHE 71 HA PHE 71 8.149 -18.265 -3.396 547 HB2 PHE 71 HB2 PHE 71 6.596 -16.888 -5.328 548 HB3 PHE 71 HB3 PHE 71 7.835 -15.718 -4.917 549 HD1 PHE 71 HD1 PHE 71 10.256 -17.156 -4.599 550 HD2 PHE 71 HD2 PHE 71 7.085 -17.949 -7.306 551 HE1 PHE 71 HE1 PHE 71 11.862 -18.316 -6.141 552 HE2 PHE 71 HE2 PHE 71 8.691 -19.109 -8.847 553 HZ PHE 71 HZ PHE 71 11.060 -19.278 -8.246 554 H LYS 72 H LYS 72 6.887 -14.862 -3.096 555 HA LYS 72 HA LYS 72 7.442 -13.264 -1.648 556 HB2 LYS 72 HB2 LYS 72 8.040 -15.433 -0.152 557 HB3 LYS 72 HB3 LYS 72 9.642 -14.739 -0.298 558 HG2 LYS 72 HG2 LYS 72 7.979 -12.517 0.222 559 HG3 LYS 72 HG3 LYS 72 7.332 -13.780 1.250 560 HD2 LYS 72 HD2 LYS 72 9.283 -13.955 2.518 561 HD3 LYS 72 HD3 LYS 72 10.324 -13.483 1.190 562 HE2 LYS 72 HE2 LYS 72 10.045 -11.207 1.583 563 HE3 LYS 72 HE3 LYS 72 8.403 -11.394 2.165 564 HZ1 LYS 72 HZ1 LYS 72 10.203 -12.706 3.874 565 HZ2 LYS 72 HZ2 LYS 72 10.657 -11.149 3.681 566 HZ3 LYS 72 HZ3 LYS 72 9.155 -11.501 4.217 567 H ARG 73 H ARG 73 10.488 -15.106 -2.407 568 HA ARG 73 HA ARG 73 11.720 -12.616 -3.079 569 HB2 ARG 73 HB2 ARG 73 12.653 -15.014 -2.029 570 HB3 ARG 73 HB3 ARG 73 13.171 -15.146 -3.698 571 HG2 ARG 73 HG2 ARG 73 14.789 -13.563 -3.432 572 HG3 ARG 73 HG3 ARG 73 13.688 -12.454 -2.639 573 HD2 ARG 73 HD2 ARG 73 14.749 -12.900 -0.681 574 HD3 ARG 73 HD3 ARG 73 14.086 -14.521 -0.743 575 HE ARG 73 HE ARG 73 16.243 -15.276 -1.172 576 HH11 ARG 73 HH22 ARG 73 15.947 -12.009 -2.447 577 HH12 ARG 73 HH21 ARG 73 17.585 -11.942 -3.006 578 HH21 ARG 73 HH12 ARG 73 18.404 -15.187 -1.909 579 HH22 ARG 73 HH11 ARG 73 18.992 -13.761 -2.698 580 H SER 74 H SER 74 9.607 -12.950 -4.811 581 HA SER 74 HA SER 74 10.942 -13.056 -7.288 582 HB2 SER 74 HB2 SER 74 10.628 -15.482 -6.993 583 HB3 SER 74 HB3 SER 74 8.921 -15.254 -6.668 584 HG SER 74 HG SER 74 9.375 -14.032 -9.012 585 H LYS 75 H LYS 75 10.014 -10.835 -6.981 586 HA LYS 75 HA LYS 75 7.120 -10.693 -7.153 587 HB2 LYS 75 HB2 LYS 75 7.390 -8.346 -6.731 588 HB3 LYS 75 HB3 LYS 75 8.377 -9.234 -5.588 589 HG2 LYS 75 HG2 LYS 75 10.282 -8.920 -7.421 590 HG3 LYS 75 HG3 LYS 75 9.258 -7.618 -7.992 591 HD2 LYS 75 HD2 LYS 75 9.630 -6.305 -6.121 592 HD3 LYS 75 HD3 LYS 75 9.723 -7.679 -5.038 593 HE2 LYS 75 HE2 LYS 75 11.937 -7.647 -6.994 594 HE3 LYS 75 HE3 LYS 75 11.898 -6.196 -6.011 595 HZ1 LYS 75 HZ1 LYS 75 12.150 -7.416 -4.099 596 HZ2 LYS 75 HZ2 LYS 75 11.621 -8.815 -4.754 597 HZ3 LYS 75 HZ3 LYS 75 13.102 -8.242 -5.138 598 H LYS 76 H LYS 76 7.742 -12.027 -9.327 599 HA LYS 76 HA LYS 76 7.941 -9.989 -11.435 600 HB2 LYS 76 HB2 LYS 76 9.675 -12.062 -11.031 601 HB3 LYS 76 HB3 LYS 76 8.533 -12.800 -12.136 602 HG2 LYS 76 HG2 LYS 76 8.787 -10.802 -13.669 603 HG3 LYS 76 HG3 LYS 76 10.005 -10.160 -12.585 604 HD2 LYS 76 HD2 LYS 76 11.402 -12.199 -12.929 605 HD3 LYS 76 HD3 LYS 76 10.177 -12.871 -13.986 606 HE2 LYS 76 HE2 LYS 76 10.480 -10.561 -15.300 607 HE3 LYS 76 HE3 LYS 76 12.027 -10.528 -14.479 608 HZ1 LYS 76 HZ1 LYS 76 11.266 -13.004 -15.770 609 HZ2 LYS 76 HZ2 LYS 76 11.700 -11.760 -16.736 610 HZ3 LYS 76 HZ3 LYS 76 12.743 -12.324 -15.613 611 H ILE 77 H ILE 77 6.700 -13.376 -10.957 612 HA ILE 77 HA ILE 77 4.418 -12.648 -12.609 613 HB ILE 77 HB ILE 77 5.427 -15.294 -11.564 614 HG12 ILE 77 HG12 ILE 77 5.278 -14.607 -14.465 615 HG13 ILE 77 HG13 ILE 77 6.550 -13.854 -13.523 616 HG21 ILE 77 HG21 ILE 77 3.250 -14.996 -13.617 617 HG22 ILE 77 HG22 ILE 77 3.678 -16.400 -12.610 618 HG23 ILE 77 HG23 ILE 77 2.870 -14.993 -11.878 619 HD11 ILE 77 HD11 ILE 77 6.003 -16.858 -13.581 620 HD12 ILE 77 HD12 ILE 77 7.259 -16.035 -14.535 621 HD13 ILE 77 HD13 ILE 77 7.358 -16.048 -12.758 622 H MET 78 H MET 78 5.300 -13.698 -9.288 623 HA MET 78 HA MET 78 2.894 -14.256 -8.260 624 HB2 MET 78 HB2 MET 78 5.483 -13.553 -7.311 625 HB3 MET 78 HB3 MET 78 4.409 -12.440 -6.488 626 HG2 MET 78 HG2 MET 78 4.510 -14.359 -5.061 627 HG3 MET 78 HG3 MET 78 2.961 -14.488 -5.870 628 HE1 MET 78 HE1 MET 78 2.177 -16.347 -6.308 629 HE2 MET 78 HE2 MET 78 2.609 -16.662 -8.006 630 HE3 MET 78 HE3 MET 78 2.941 -17.890 -6.761 631 HA PRO 79 HA PRO 79 2.011 -9.632 -7.666 632 HB2 PRO 79 HB2 PRO 79 3.619 -7.767 -8.852 633 HB3 PRO 79 HB3 PRO 79 3.810 -8.277 -7.186 634 HG2 PRO 79 HG2 PRO 79 5.452 -8.983 -9.541 635 HG3 PRO 79 HG3 PRO 79 5.854 -9.122 -7.840 636 HD2 PRO 79 HD2 PRO 79 5.084 -11.251 -9.601 637 HD3 PRO 79 HD3 PRO 79 5.373 -11.369 -7.877 638 H ALA 80 H ALA 80 3.528 -8.616 -10.617 639 HA ALA 80 HA ALA 80 2.730 -8.336 -12.666 640 HB1 ALA 80 HB1 ALA 80 1.934 -10.794 -12.198 641 HB2 ALA 80 HB2 ALA 80 0.319 -10.056 -12.084 642 HB3 ALA 80 HB3 ALA 80 1.262 -9.906 -13.586 643 H GLY 81 H GLY 81 -0.156 -8.618 -10.463 644 HA2 GLY 81 HA2 GLY 81 -1.486 -6.416 -11.699 645 HA3 GLY 81 HA3 GLY 81 -1.944 -7.258 -10.231 646 H LEU 82 H LEU 82 0.521 -6.896 -8.732 647 HA LEU 82 HA LEU 82 -0.002 -4.420 -7.579 648 HB2 LEU 82 HB2 LEU 82 1.177 -6.561 -6.697 649 HB3 LEU 82 HB3 LEU 82 2.635 -5.832 -7.341 650 HG LEU 82 HG LEU 82 1.964 -3.753 -5.933 651 HD11 LEU 82 HD11 LEU 82 -0.335 -4.929 -5.465 652 HD12 LEU 82 HD12 LEU 82 0.573 -5.725 -4.158 653 HD13 LEU 82 HD13 LEU 82 0.459 -3.949 -4.209 654 HD21 LEU 82 HD21 LEU 82 3.919 -5.191 -5.518 655 HD22 LEU 82 HD22 LEU 82 3.176 -4.608 -4.010 656 HD23 LEU 82 HD23 LEU 82 2.900 -6.282 -4.549 657 H VAL 83 H VAL 83 2.963 -5.405 -9.446 658 HA VAL 83 HA VAL 83 3.964 -2.844 -9.701 659 HB VAL 83 HB VAL 83 4.231 -5.263 -11.496 660 HG11 VAL 83 HG11 VAL 83 4.870 -2.994 -12.509 661 HG12 VAL 83 HG12 VAL 83 6.190 -2.965 -11.315 662 HG13 VAL 83 HG13 VAL 83 6.110 -4.271 -12.522 663 HG21 VAL 83 HG21 VAL 83 6.580 -5.026 -10.117 664 HG22 VAL 83 HG22 VAL 83 5.403 -4.475 -8.902 665 HG23 VAL 83 HG23 VAL 83 5.228 -6.082 -9.645 666 H ALA 84 H ALA 84 1.998 -4.752 -12.095 667 HA ALA 84 HA ALA 84 1.771 -2.859 -14.032 668 HB1 ALA 84 HB1 ALA 84 0.948 -5.158 -14.226 669 HB2 ALA 84 HB2 ALA 84 -0.322 -4.828 -13.023 670 HB3 ALA 84 HB3 ALA 84 -0.360 -4.012 -14.604 671 H GLY 85 H GLY 85 0.238 -2.970 -10.826 672 HA2 GLY 85 HA2 GLY 85 -1.752 -1.000 -11.364 673 HA3 GLY 85 HA3 GLY 85 -1.219 -1.583 -9.800 674 H LEU 86 H LEU 86 1.536 -0.967 -9.824 675 HA LEU 86 HA LEU 86 1.514 1.687 -9.054 676 HB2 LEU 86 HB2 LEU 86 3.602 1.285 -8.392 677 HB3 LEU 86 HB3 LEU 86 3.189 -0.380 -8.751 678 HG LEU 86 HG LEU 86 4.142 0.181 -11.135 679 HD11 LEU 86 HD11 LEU 86 6.092 1.784 -10.916 680 HD12 LEU 86 HD12 LEU 86 4.471 2.517 -10.974 681 HD13 LEU 86 HD13 LEU 86 5.326 2.370 -9.420 682 HD21 LEU 86 HD21 LEU 86 6.421 0.001 -9.305 683 HD22 LEU 86 HD22 LEU 86 5.103 -1.129 -8.912 684 HD23 LEU 86 HD23 LEU 86 5.834 -1.145 -10.534 685 H SER 87 H SER 87 2.377 0.156 -12.199 686 HA SER 87 HA SER 87 3.324 2.498 -13.354 687 HB2 SER 87 HB2 SER 87 3.684 0.143 -14.198 688 HB3 SER 87 HB3 SER 87 2.017 0.115 -14.739 689 HG SER 87 HG SER 87 4.151 1.060 -16.066 690 H LEU 88 H LEU 88 0.125 0.793 -13.726 691 HA LEU 88 HA LEU 88 -1.103 2.661 -15.309 692 HB2 LEU 88 HB2 LEU 88 -1.950 0.530 -13.446 693 HB3 LEU 88 HB3 LEU 88 -3.161 1.746 -13.802 694 HG LEU 88 HG LEU 88 -1.706 0.556 -16.119 695 HD11 LEU 88 HD11 LEU 88 -3.905 -1.139 -15.715 696 HD12 LEU 88 HD12 LEU 88 -2.177 -1.555 -15.624 697 HD13 LEU 88 HD13 LEU 88 -3.055 -1.073 -14.153 698 HD21 LEU 88 HD21 LEU 88 -3.318 1.596 -17.228 699 HD22 LEU 88 HD22 LEU 88 -4.552 0.632 -16.381 700 HD23 LEU 88 HD23 LEU 88 -3.998 2.175 -15.688 701 H MET 89 H MET 89 -0.322 2.772 -11.854 702 HA MET 89 HA MET 89 -2.117 4.824 -11.224 703 HB2 MET 89 HB2 MET 89 -0.606 3.144 -9.760 704 HB3 MET 89 HB3 MET 89 0.554 4.457 -9.821 705 HG2 MET 89 HG2 MET 89 -1.915 5.707 -9.187 706 HG3 MET 89 HG3 MET 89 -1.903 4.235 -8.235 707 HE1 MET 89 HE1 MET 89 0.504 6.766 -9.662 708 HE2 MET 89 HE2 MET 89 -0.246 7.895 -8.508 709 HE3 MET 89 HE3 MET 89 1.441 7.377 -8.277 710 H MET 90 H MET 90 1.517 4.979 -11.439 711 HA MET 90 HA MET 90 1.674 7.696 -11.439 712 HB2 MET 90 HB2 MET 90 3.954 7.347 -12.145 713 HB3 MET 90 HB3 MET 90 3.528 5.870 -11.304 714 HG2 MET 90 HG2 MET 90 4.142 4.739 -13.180 715 HG3 MET 90 HG3 MET 90 2.699 5.371 -13.946 716 HE1 MET 90 HE1 MET 90 6.961 6.667 -14.041 717 HE2 MET 90 HE2 MET 90 6.160 5.217 -13.389 718 HE3 MET 90 HE3 MET 90 6.544 5.317 -15.124 719 H ILE 91 H ILE 91 0.477 5.599 -13.942 720 HA ILE 91 HA ILE 91 0.997 7.520 -16.047 721 HB ILE 91 HB ILE 91 -0.213 4.770 -15.928 722 HG12 ILE 91 HG12 ILE 91 2.196 5.879 -17.401 723 HG13 ILE 91 HG13 ILE 91 2.256 5.006 -15.882 724 HG21 ILE 91 HG21 ILE 91 -0.839 6.848 -17.829 725 HG22 ILE 91 HG22 ILE 91 0.025 5.513 -18.628 726 HG23 ILE 91 HG23 ILE 91 -1.465 5.186 -17.711 727 HD11 ILE 91 HD11 ILE 91 0.769 3.715 -18.158 728 HD12 ILE 91 HD12 ILE 91 2.547 3.747 -18.232 729 HD13 ILE 91 HD13 ILE 91 1.727 2.964 -16.860 730 H LEU 92 H LEU 92 -1.598 6.439 -13.864 731 HA LEU 92 HA LEU 92 -3.634 7.829 -15.310 732 HB2 LEU 92 HB2 LEU 92 -4.681 6.210 -14.201 733 HB3 LEU 92 HB3 LEU 92 -3.414 6.062 -12.999 734 HG LEU 92 HG LEU 92 -5.454 8.294 -12.942 735 HD11 LEU 92 HD11 LEU 92 -7.019 7.012 -11.987 736 HD12 LEU 92 HD12 LEU 92 -6.136 5.649 -12.718 737 HD13 LEU 92 HD13 LEU 92 -5.830 6.103 -11.024 738 HD21 LEU 92 HD21 LEU 92 -3.092 7.993 -11.562 739 HD22 LEU 92 HD22 LEU 92 -4.478 8.990 -11.058 740 HD23 LEU 92 HD23 LEU 92 -4.296 7.335 -10.428 741 H ARG 93 H ARG 93 -1.140 8.649 -13.015 742 HA ARG 93 HA ARG 93 -2.568 11.013 -12.206 743 HB2 ARG 93 HB2 ARG 93 -0.407 9.385 -11.123 744 HB3 ARG 93 HB3 ARG 93 0.131 11.049 -11.231 745 HG2 ARG 93 HG2 ARG 93 -2.634 10.743 -10.176 746 HG3 ARG 93 HG3 ARG 93 -1.404 10.006 -9.169 747 HD2 ARG 93 HD2 ARG 93 -0.323 12.054 -8.737 748 HD3 ARG 93 HD3 ARG 93 -0.898 12.795 -10.217 749 HE ARG 93 HE ARG 93 -2.274 12.759 -7.660 750 HH11 ARG 93 HH22 ARG 93 -2.806 12.819 -11.138 751 HH12 ARG 93 HH21 ARG 93 -4.361 13.572 -11.016 752 HH21 ARG 93 HH12 ARG 93 -4.326 13.753 -7.498 753 HH22 ARG 93 HH11 ARG 93 -5.231 14.107 -8.932 754 H LEU 94 H LEU 94 0.500 10.024 -13.873 755 HA LEU 94 HA LEU 94 1.413 12.587 -14.433 756 HB2 LEU 94 HB2 LEU 94 2.814 10.637 -14.566 757 HB3 LEU 94 HB3 LEU 94 1.830 9.952 -15.844 758 HG LEU 94 HG LEU 94 2.985 12.624 -16.414 759 HD11 LEU 94 HD11 LEU 94 5.012 12.045 -15.605 760 HD12 LEU 94 HD12 LEU 94 4.663 10.301 -15.655 761 HD13 LEU 94 HD13 LEU 94 5.123 11.159 -17.145 762 HD21 LEU 94 HD21 LEU 94 1.616 11.202 -17.996 763 HD22 LEU 94 HD22 LEU 94 3.175 11.791 -18.622 764 HD23 LEU 94 HD23 LEU 94 3.013 10.102 -18.081 765 H VAL 95 H VAL 95 -1.340 10.860 -15.621 766 HA VAL 95 HA VAL 95 -1.559 11.673 -18.215 767 HB VAL 95 HB VAL 95 -3.483 11.125 -15.996 768 HG11 VAL 95 HG11 VAL 95 -4.305 12.094 -18.755 769 HG12 VAL 95 HG12 VAL 95 -5.395 11.419 -17.521 770 HG13 VAL 95 HG13 VAL 95 -4.552 12.958 -17.219 771 HG21 VAL 95 HG21 VAL 95 -3.451 9.072 -16.869 772 HG22 VAL 95 HG22 VAL 95 -3.899 9.695 -18.475 773 HG23 VAL 95 HG23 VAL 95 -2.186 9.618 -17.996 774 H LEU 96 H LEU 96 -2.655 13.475 -15.255 775 HA LEU 96 HA LEU 96 -2.749 15.876 -16.937 776 HB2 LEU 96 HB2 LEU 96 -4.134 16.776 -15.031 777 HB3 LEU 96 HB3 LEU 96 -4.863 15.542 -16.039 778 HG LEU 96 HG LEU 96 -3.485 14.551 -13.606 779 HD11 LEU 96 HD11 LEU 96 -5.282 15.168 -12.091 780 HD12 LEU 96 HD12 LEU 96 -4.507 16.623 -12.761 781 HD13 LEU 96 HD13 LEU 96 -6.087 16.090 -13.384 782 HD21 LEU 96 HD21 LEU 96 -5.502 13.115 -13.502 783 HD22 LEU 96 HD22 LEU 96 -6.142 13.955 -14.934 784 HD23 LEU 96 HD23 LEU 96 -4.641 13.007 -15.056 785 H LEU 97 H LEU 97 -1.306 14.316 -14.086 786 HA LEU 97 HA LEU 97 0.131 15.103 -12.552 787 HB2 LEU 97 HB2 LEU 97 2.170 15.041 -13.459 788 HB3 LEU 97 HB3 LEU 97 1.281 14.593 -14.901 789 HG LEU 97 HG LEU 97 1.295 17.322 -15.124 790 HD11 LEU 97 HD11 LEU 97 4.111 17.197 -14.617 791 HD12 LEU 97 HD12 LEU 97 2.892 18.305 -13.944 792 HD13 LEU 97 HD13 LEU 97 3.230 16.756 -13.134 793 HD21 LEU 97 HD21 LEU 97 3.406 15.414 -16.169 794 HD22 LEU 97 HD22 LEU 97 1.797 15.685 -16.882 795 HD23 LEU 97 HD23 LEU 97 2.988 17.007 -16.846 796 H LEU 98 H LEU 98 -2.103 16.934 -13.045 797 HA LEU 98 HA LEU 98 -0.927 19.562 -13.087 798 HB2 LEU 98 HB2 LEU 98 -3.707 18.449 -12.933 799 HB3 LEU 98 HB3 LEU 98 -3.408 20.130 -12.539 800 HG LEU 98 HG LEU 98 -2.510 18.927 -15.160 801 HD11 LEU 98 HD11 LEU 98 -5.181 19.120 -14.341 802 HD12 LEU 98 HD12 LEU 98 -4.908 20.529 -15.394 803 HD13 LEU 98 HD13 LEU 98 -4.567 18.889 -15.996 804 HD21 LEU 98 HD21 LEU 98 -1.973 21.366 -13.974 805 HD22 LEU 98 HD22 LEU 98 -1.819 20.975 -15.703 806 HD23 LEU 98 HD23 LEU 98 -3.308 21.735 -15.091 807 H LEU 99 H LEU 99 -2.459 17.315 -10.717 808 HA LEU 99 HA LEU 99 -2.272 19.152 -8.574 809 HB2 LEU 99 HB2 LEU 99 -3.205 16.449 -9.058 810 HB3 LEU 99 HB3 LEU 99 -2.350 16.561 -7.533 811 HG LEU 99 HG LEU 99 -4.583 18.457 -8.285 812 HD11 LEU 99 HD11 LEU 99 -4.805 15.853 -6.749 813 HD12 LEU 99 HD12 LEU 99 -6.095 17.063 -6.952 814 HD13 LEU 99 HD13 LEU 99 -5.467 16.185 -8.367 815 HD21 LEU 99 HD21 LEU 99 -2.840 18.932 -6.414 816 HD22 LEU 99 HD22 LEU 99 -4.573 19.172 -6.085 817 HD23 LEU 99 HD23 LEU 99 -3.750 17.707 -5.497 Start of MODEL 5 1 H MET 1 H1 MET 1 -12.527 -45.342 -17.908 2 HA MET 1 HA MET 1 -12.557 -43.777 -20.004 3 HB2 MET 1 HB2 MET 1 -11.288 -41.643 -19.126 4 HB3 MET 1 HB3 MET 1 -13.024 -41.712 -18.893 5 HG2 MET 1 HG2 MET 1 -11.515 -42.988 -16.683 6 HG3 MET 1 HG3 MET 1 -11.130 -41.290 -16.880 7 HE1 MET 1 HE1 MET 1 -11.806 -41.047 -14.659 8 HE2 MET 1 HE2 MET 1 -13.441 -40.521 -14.192 9 HE3 MET 1 HE3 MET 1 -12.985 -42.236 -14.056 10 H ASP 2 H ASP 2 -10.583 -43.922 -21.130 11 HA ASP 2 HA ASP 2 -8.136 -44.088 -19.806 12 HB2 ASP 2 HB2 ASP 2 -9.628 -46.588 -20.141 13 HB3 ASP 2 HB3 ASP 2 -8.126 -46.649 -21.041 14 H LEU 3 H LEU 3 -9.858 -45.675 -22.611 15 HA LEU 3 HA LEU 3 -7.874 -45.466 -24.471 16 HB2 LEU 3 HB2 LEU 3 -10.760 -45.854 -24.436 17 HB3 LEU 3 HB3 LEU 3 -10.223 -45.032 -25.888 18 HG LEU 3 HG LEU 3 -8.404 -47.126 -25.612 19 HD11 LEU 3 HD11 LEU 3 -9.728 -49.139 -25.315 20 HD12 LEU 3 HD12 LEU 3 -9.823 -48.117 -23.860 21 HD13 LEU 3 HD13 LEU 3 -11.185 -48.166 -25.004 22 HD21 LEU 3 HD21 LEU 3 -10.915 -47.224 -27.293 23 HD22 LEU 3 HD22 LEU 3 -9.537 -46.159 -27.660 24 HD23 LEU 3 HD23 LEU 3 -9.317 -47.925 -27.644 25 H ILE 4 H ILE 4 -10.695 -43.179 -24.414 26 HA ILE 4 HA ILE 4 -9.719 -41.288 -26.041 27 HB ILE 4 HB ILE 4 -11.870 -40.960 -25.344 28 HG12 ILE 4 HG12 ILE 4 -10.878 -38.925 -23.430 29 HG13 ILE 4 HG13 ILE 4 -10.143 -38.886 -25.021 30 HG21 ILE 4 HG21 ILE 4 -12.524 -42.003 -23.492 31 HG22 ILE 4 HG22 ILE 4 -10.890 -41.937 -22.788 32 HG23 ILE 4 HG23 ILE 4 -11.999 -40.558 -22.594 33 HD11 ILE 4 HD11 ILE 4 -12.327 -37.514 -24.651 34 HD12 ILE 4 HD12 ILE 4 -12.218 -38.516 -26.118 35 HD13 ILE 4 HD13 ILE 4 -13.158 -39.087 -24.719 36 H GLY 5 H GLY 5 -9.659 -40.319 -22.596 37 HA2 GLY 5 HA2 GLY 5 -8.012 -39.470 -21.310 38 HA3 GLY 5 HA3 GLY 5 -6.827 -40.196 -22.378 39 H PHE 6 H PHE 6 -6.716 -39.064 -24.687 40 HA PHE 6 HA PHE 6 -5.771 -36.512 -24.298 41 HB2 PHE 6 HB2 PHE 6 -5.744 -38.392 -26.272 42 HB3 PHE 6 HB3 PHE 6 -7.029 -37.395 -26.924 43 HD1 PHE 6 HD1 PHE 6 -3.516 -37.204 -25.715 44 HD2 PHE 6 HD2 PHE 6 -6.513 -35.513 -28.198 45 HE1 PHE 6 HE1 PHE 6 -1.810 -35.665 -26.726 46 HE2 PHE 6 HE2 PHE 6 -4.807 -33.975 -29.209 47 HZ PHE 6 HZ PHE 6 -2.476 -34.069 -28.461 48 H GLY 7 H GLY 7 -8.887 -37.499 -25.904 49 HA2 GLY 7 HA2 GLY 7 -9.937 -35.049 -26.453 50 HA3 GLY 7 HA3 GLY 7 -10.881 -36.450 -25.985 51 H TYR 8 H TYR 8 -10.098 -36.846 -23.301 52 HA TYR 8 HA TYR 8 -11.732 -35.044 -21.973 53 HB2 TYR 8 HB2 TYR 8 -10.664 -37.447 -21.448 54 HB3 TYR 8 HB3 TYR 8 -9.330 -36.528 -20.779 55 HD1 TYR 8 HD1 TYR 8 -10.418 -34.403 -19.251 56 HD2 TYR 8 HD2 TYR 8 -12.025 -38.329 -19.800 57 HE1 TYR 8 HE1 TYR 8 -11.667 -34.208 -17.045 58 HE2 TYR 8 HE2 TYR 8 -13.269 -38.121 -17.592 59 HH TYR 8 HH TYR 8 -13.436 -36.957 -15.727 60 H ALA 9 H ALA 9 -8.119 -35.174 -22.229 61 HA ALA 9 HA ALA 9 -7.775 -32.889 -20.576 62 HB1 ALA 9 HB1 ALA 9 -5.412 -33.055 -21.622 63 HB2 ALA 9 HB2 ALA 9 -5.982 -34.427 -20.641 64 HB3 ALA 9 HB3 ALA 9 -6.016 -34.528 -22.418 65 H ALA 10 H ALA 10 -8.556 -33.463 -23.950 66 HA ALA 10 HA ALA 10 -7.544 -31.032 -24.972 67 HB1 ALA 10 HB1 ALA 10 -8.211 -31.963 -26.914 68 HB2 ALA 10 HB2 ALA 10 -8.704 -33.380 -25.956 69 HB3 ALA 10 HB3 ALA 10 -9.891 -32.113 -26.346 70 H LEU 11 H LEU 11 -10.933 -32.086 -24.160 71 HA LEU 11 HA LEU 11 -12.032 -29.546 -24.473 72 HB2 LEU 11 HB2 LEU 11 -13.984 -30.447 -23.545 73 HB3 LEU 11 HB3 LEU 11 -13.220 -31.740 -24.449 74 HG LEU 11 HG LEU 11 -12.195 -32.312 -22.046 75 HD11 LEU 11 HD11 LEU 11 -13.476 -30.251 -21.141 76 HD12 LEU 11 HD12 LEU 11 -14.906 -31.308 -21.214 77 HD13 LEU 11 HD13 LEU 11 -13.509 -31.768 -20.211 78 HD21 LEU 11 HD21 LEU 11 -14.232 -33.823 -21.721 79 HD22 LEU 11 HD22 LEU 11 -14.874 -33.077 -23.204 80 HD23 LEU 11 HD23 LEU 11 -13.335 -33.970 -23.251 81 H VAL 12 H VAL 12 -10.584 -31.218 -21.632 82 HA VAL 12 HA VAL 12 -11.305 -29.416 -19.684 83 HB VAL 12 HB VAL 12 -9.002 -31.280 -20.115 84 HG11 VAL 12 HG11 VAL 12 -7.898 -29.524 -18.935 85 HG12 VAL 12 HG12 VAL 12 -9.279 -29.302 -17.834 86 HG13 VAL 12 HG13 VAL 12 -8.292 -30.780 -17.737 87 HG21 VAL 12 HG21 VAL 12 -10.002 -32.515 -18.309 88 HG22 VAL 12 HG22 VAL 12 -11.117 -31.177 -17.941 89 HG23 VAL 12 HG23 VAL 12 -11.287 -32.084 -19.463 90 H THR 13 H THR 13 -8.350 -29.407 -21.797 91 HA THR 13 HA THR 13 -7.356 -26.981 -20.782 92 HB THR 13 HB THR 13 -6.937 -28.654 -23.294 93 HG1 THR 13 HG1 THR 13 -5.148 -29.230 -22.018 94 HG21 THR 13 HG21 THR 13 -5.062 -26.417 -22.492 95 HG22 THR 13 HG22 THR 13 -5.254 -27.206 -24.076 96 HG23 THR 13 HG23 THR 13 -6.460 -26.021 -23.519 97 H PHE 14 H PHE 14 -9.789 -27.742 -23.261 98 HA PHE 14 HA PHE 14 -9.786 -25.242 -24.504 99 HB2 PHE 14 HB2 PHE 14 -10.949 -27.645 -24.932 100 HB3 PHE 14 HB3 PHE 14 -12.269 -26.947 -24.014 101 HD1 PHE 14 HD1 PHE 14 -10.020 -25.873 -26.807 102 HD2 PHE 14 HD2 PHE 14 -13.972 -26.061 -25.272 103 HE1 PHE 14 HE1 PHE 14 -10.881 -24.764 -28.887 104 HE2 PHE 14 HE2 PHE 14 -14.833 -24.952 -27.352 105 HZ PHE 14 HZ PHE 14 -13.277 -24.317 -29.135 106 H GLY 15 H GLY 15 -11.928 -26.584 -21.887 107 HA2 GLY 15 HA2 GLY 15 -13.325 -24.147 -21.491 108 HA3 GLY 15 HA3 GLY 15 -13.310 -25.549 -20.440 109 H SER 16 H SER 16 -10.210 -25.417 -20.393 110 HA SER 16 HA SER 16 -10.068 -23.926 -18.037 111 HB2 SER 16 HB2 SER 16 -8.425 -25.769 -19.500 112 HB3 SER 16 HB3 SER 16 -7.444 -24.353 -19.177 113 HG SER 16 HG SER 16 -8.600 -24.705 -16.875 114 H ILE 17 H ILE 17 -8.735 -23.403 -21.378 115 HA ILE 17 HA ILE 17 -7.612 -20.896 -20.770 116 HB ILE 17 HB ILE 17 -8.413 -22.153 -23.396 117 HG12 ILE 17 HG12 ILE 17 -6.798 -23.505 -22.199 118 HG13 ILE 17 HG13 ILE 17 -6.032 -22.733 -23.573 119 HG21 ILE 17 HG21 ILE 17 -7.784 -19.482 -22.936 120 HG22 ILE 17 HG22 ILE 17 -6.258 -20.204 -23.498 121 HG23 ILE 17 HG23 ILE 17 -7.727 -20.344 -24.492 122 HD11 ILE 17 HD11 ILE 17 -5.538 -20.827 -21.699 123 HD12 ILE 17 HD12 ILE 17 -5.612 -22.261 -20.648 124 HD13 ILE 17 HD13 ILE 17 -4.444 -22.200 -21.990 125 H PHE 18 H PHE 18 -10.720 -21.891 -22.347 126 HA PHE 18 HA PHE 18 -11.678 -19.389 -22.905 127 HB2 PHE 18 HB2 PHE 18 -12.522 -21.986 -23.114 128 HB3 PHE 18 HB3 PHE 18 -13.473 -21.531 -21.713 129 HD1 PHE 18 HD1 PHE 18 -14.935 -19.399 -21.951 130 HD2 PHE 18 HD2 PHE 18 -13.316 -21.520 -25.251 131 HE1 PHE 18 HE1 PHE 18 -16.662 -18.375 -23.456 132 HE2 PHE 18 HE2 PHE 18 -15.044 -20.496 -26.756 133 HZ PHE 18 HZ PHE 18 -16.697 -18.936 -25.841 134 H GLY 19 H GLY 19 -11.818 -21.246 -19.813 135 HA2 GLY 19 HA2 GLY 19 -13.184 -18.984 -18.531 136 HA3 GLY 19 HA3 GLY 19 -13.002 -20.607 -17.895 137 H TYR 20 H TYR 20 -10.990 -21.275 -16.917 138 HA TYR 20 HA TYR 20 -9.748 -19.457 -15.334 139 HB2 TYR 20 HB2 TYR 20 -9.397 -21.807 -14.949 140 HB3 TYR 20 HB3 TYR 20 -9.068 -22.123 -16.640 141 HD1 TYR 20 HD1 TYR 20 -7.606 -20.444 -13.633 142 HD2 TYR 20 HD2 TYR 20 -6.855 -22.353 -17.388 143 HE1 TYR 20 HE1 TYR 20 -5.108 -20.408 -13.161 144 HE2 TYR 20 HE2 TYR 20 -4.360 -22.310 -16.903 145 HH TYR 20 HH TYR 20 -2.795 -21.428 -15.611 146 H LYS 21 H LYS 21 -8.738 -17.589 -15.902 147 HA LYS 21 HA LYS 21 -7.609 -17.140 -18.406 148 HB2 LYS 21 HB2 LYS 21 -8.307 -15.604 -16.264 149 HB3 LYS 21 HB3 LYS 21 -6.561 -15.566 -16.127 150 HG2 LYS 21 HG2 LYS 21 -6.289 -14.640 -18.322 151 HG3 LYS 21 HG3 LYS 21 -7.917 -15.073 -18.803 152 HD2 LYS 21 HD2 LYS 21 -8.859 -13.425 -17.201 153 HD3 LYS 21 HD3 LYS 21 -7.249 -13.027 -16.634 154 HE2 LYS 21 HE2 LYS 21 -7.056 -11.488 -18.286 155 HE3 LYS 21 HE3 LYS 21 -7.172 -12.764 -19.482 156 HZ1 LYS 21 HZ1 LYS 21 -9.588 -11.714 -18.225 157 HZ2 LYS 21 HZ2 LYS 21 -8.904 -10.926 -19.482 158 HZ3 LYS 21 HZ3 LYS 21 -9.428 -12.461 -19.668 159 H ARG 22 H ARG 22 -5.681 -17.117 -15.343 160 HA ARG 22 HA ARG 22 -4.015 -19.186 -16.211 161 HB2 ARG 22 HB2 ARG 22 -3.391 -16.553 -17.240 162 HB3 ARG 22 HB3 ARG 22 -2.146 -16.984 -16.084 163 HG2 ARG 22 HG2 ARG 22 -1.294 -18.640 -17.421 164 HG3 ARG 22 HG3 ARG 22 -2.881 -19.223 -17.881 165 HD2 ARG 22 HD2 ARG 22 -3.125 -17.492 -19.575 166 HD3 ARG 22 HD3 ARG 22 -1.718 -16.628 -18.988 167 HE ARG 22 HE ARG 22 -1.045 -19.352 -19.743 168 HH11 ARG 22 HH22 ARG 22 -1.651 -16.138 -21.039 169 HH12 ARG 22 HH21 ARG 22 -0.705 -16.396 -22.467 170 HH21 ARG 22 HH12 ARG 22 0.203 -19.694 -21.627 171 HH22 ARG 22 HH11 ARG 22 0.357 -18.432 -22.804 172 H ARG 23 H ARG 23 -2.436 -19.743 -14.536 173 HA ARG 23 HA ARG 23 -3.242 -18.811 -12.005 174 HB2 ARG 23 HB2 ARG 23 -2.042 -21.118 -12.975 175 HB3 ARG 23 HB3 ARG 23 -0.685 -20.338 -12.187 176 HG2 ARG 23 HG2 ARG 23 -2.867 -20.041 -10.385 177 HG3 ARG 23 HG3 ARG 23 -2.985 -21.684 -10.985 178 HD2 ARG 23 HD2 ARG 23 -0.202 -20.910 -10.336 179 HD3 ARG 23 HD3 ARG 23 -1.271 -20.803 -8.951 180 HE ARG 23 HE ARG 23 -1.718 -23.276 -10.390 181 HH11 ARG 23 HH22 ARG 23 0.501 -21.719 -8.146 182 HH12 ARG 23 HH21 ARG 23 1.050 -23.209 -7.456 183 HH21 ARG 23 HH12 ARG 23 -0.993 -25.243 -9.479 184 HH22 ARG 23 HH11 ARG 23 0.195 -25.227 -8.219 185 H GLY 24 H GLY 24 -0.463 -19.036 -10.802 186 HA2 GLY 24 HA2 GLY 24 1.386 -17.788 -10.419 187 HA3 GLY 24 HA3 GLY 24 1.134 -16.946 -11.935 188 H GLY 25 H GLY 25 -0.740 -17.295 -8.829 189 HA2 GLY 25 HA2 GLY 25 -1.448 -15.725 -7.367 190 HA3 GLY 25 HA3 GLY 25 -0.417 -14.543 -8.149 191 H VAL 26 H VAL 26 -3.628 -16.094 -8.151 192 HA VAL 26 HA VAL 26 -4.610 -14.645 -10.385 193 HB VAL 26 HB VAL 26 -5.550 -16.590 -8.418 194 HG11 VAL 26 HG11 VAL 26 -7.145 -15.045 -7.665 195 HG12 VAL 26 HG12 VAL 26 -7.372 -14.344 -9.285 196 HG13 VAL 26 HG13 VAL 26 -8.006 -15.966 -8.921 197 HG21 VAL 26 HG21 VAL 26 -6.001 -17.729 -10.290 198 HG22 VAL 26 HG22 VAL 26 -7.011 -16.412 -10.934 199 HG23 VAL 26 HG23 VAL 26 -5.249 -16.387 -11.186 200 HA PRO 27 HA PRO 27 -6.298 -11.844 -6.968 201 HB2 PRO 27 HB2 PRO 27 -5.443 -12.149 -4.390 202 HB3 PRO 27 HB3 PRO 27 -6.929 -12.853 -4.996 203 HG2 PRO 27 HG2 PRO 27 -4.353 -14.180 -4.411 204 HG3 PRO 27 HG3 PRO 27 -5.939 -14.899 -4.602 205 HD2 PRO 27 HD2 PRO 27 -3.807 -14.912 -6.521 206 HD3 PRO 27 HD3 PRO 27 -5.431 -15.528 -6.754 207 H SER 28 H SER 28 -4.478 -11.139 -8.611 208 HA SER 28 HA SER 28 -2.565 -9.721 -6.925 209 HB2 SER 28 HB2 SER 28 -2.156 -10.392 -9.863 210 HB3 SER 28 HB3 SER 28 -0.954 -9.836 -8.716 211 HG SER 28 HG SER 28 -0.589 -11.865 -8.170 212 H LEU 29 H LEU 29 -4.426 -9.618 -10.045 213 HA LEU 29 HA LEU 29 -4.003 -7.017 -10.728 214 HB2 LEU 29 HB2 LEU 29 -6.254 -7.163 -11.813 215 HB3 LEU 29 HB3 LEU 29 -5.109 -8.421 -12.231 216 HG LEU 29 HG LEU 29 -6.613 -9.405 -10.036 217 HD11 LEU 29 HD11 LEU 29 -8.451 -8.055 -10.217 218 HD12 LEU 29 HD12 LEU 29 -8.238 -7.800 -11.966 219 HD13 LEU 29 HD13 LEU 29 -8.894 -9.342 -11.364 220 HD21 LEU 29 HD21 LEU 29 -5.574 -10.395 -12.307 221 HD22 LEU 29 HD22 LEU 29 -6.812 -11.238 -11.346 222 HD23 LEU 29 HD23 LEU 29 -7.286 -10.302 -12.784 223 H ILE 30 H ILE 30 -6.447 -8.338 -8.411 224 HA ILE 30 HA ILE 30 -7.605 -5.847 -7.849 225 HB ILE 30 HB ILE 30 -8.735 -7.928 -7.430 226 HG12 ILE 30 HG12 ILE 30 -9.571 -7.489 -5.163 227 HG13 ILE 30 HG13 ILE 30 -8.195 -6.455 -4.835 228 HG21 ILE 30 HG21 ILE 30 -7.738 -9.695 -6.540 229 HG22 ILE 30 HG22 ILE 30 -6.265 -8.729 -6.288 230 HG23 ILE 30 HG23 ILE 30 -7.499 -8.819 -5.009 231 HD11 ILE 30 HD11 ILE 30 -10.239 -5.167 -5.507 232 HD12 ILE 30 HD12 ILE 30 -8.870 -4.895 -6.611 233 HD13 ILE 30 HD13 ILE 30 -10.198 -5.980 -7.090 234 H ALA 31 H ALA 31 -4.634 -7.442 -6.801 235 HA ALA 31 HA ALA 31 -4.270 -5.952 -4.434 236 HB1 ALA 31 HB1 ALA 31 -2.325 -7.151 -4.280 237 HB2 ALA 31 HB2 ALA 31 -3.113 -8.137 -5.536 238 HB3 ALA 31 HB3 ALA 31 -1.912 -6.905 -5.994 239 H GLY 32 H GLY 32 -3.290 -5.497 -7.878 240 HA2 GLY 32 HA2 GLY 32 -1.703 -3.205 -7.450 241 HA3 GLY 32 HA3 GLY 32 -2.430 -3.722 -8.959 242 H LEU 33 H LEU 33 -5.126 -3.576 -8.644 243 HA LEU 33 HA LEU 33 -5.682 -0.898 -8.886 244 HB2 LEU 33 HB2 LEU 33 -7.098 -2.598 -9.793 245 HB3 LEU 33 HB3 LEU 33 -7.446 -3.247 -8.203 246 HG LEU 33 HG LEU 33 -8.233 -0.534 -8.114 247 HD11 LEU 33 HD11 LEU 33 -9.836 -1.592 -10.340 248 HD12 LEU 33 HD12 LEU 33 -9.222 0.051 -10.037 249 HD13 LEU 33 HD13 LEU 33 -8.160 -1.175 -10.772 250 HD21 LEU 33 HD21 LEU 33 -9.551 -1.841 -6.826 251 HD22 LEU 33 HD22 LEU 33 -10.577 -1.844 -8.280 252 HD23 LEU 33 HD23 LEU 33 -9.490 -3.215 -7.955 253 H PHE 34 H PHE 34 -5.854 -3.033 -5.987 254 HA PHE 34 HA PHE 34 -7.064 -1.200 -4.295 255 HB2 PHE 34 HB2 PHE 34 -6.633 -3.680 -3.925 256 HB3 PHE 34 HB3 PHE 34 -4.917 -3.350 -3.800 257 HD1 PHE 34 HD2 PHE 34 -7.978 -1.830 -2.276 258 HD2 PHE 34 HD1 PHE 34 -4.160 -3.572 -1.644 259 HE1 PHE 34 HE2 PHE 34 -8.225 -1.476 0.197 260 HE2 PHE 34 HE1 PHE 34 -4.408 -3.218 0.828 261 HZ PHE 34 HZ PHE 34 -6.437 -2.174 1.719 262 H VAL 35 H VAL 35 -3.544 -1.886 -4.870 263 HA VAL 35 HA VAL 35 -2.579 -0.041 -3.035 264 HB VAL 35 HB VAL 35 -1.505 -1.297 -5.546 265 HG11 VAL 35 HG11 VAL 35 0.759 -0.346 -4.483 266 HG12 VAL 35 HG12 VAL 35 -0.175 0.554 -5.703 267 HG13 VAL 35 HG13 VAL 35 -0.341 0.960 -3.978 268 HG21 VAL 35 HG21 VAL 35 -0.359 -1.596 -2.786 269 HG22 VAL 35 HG22 VAL 35 -1.861 -2.452 -3.209 270 HG23 VAL 35 HG23 VAL 35 -0.375 -2.747 -4.144 271 H GLY 36 H GLY 36 -3.745 0.316 -6.400 272 HA2 GLY 36 HA2 GLY 36 -2.788 2.963 -6.776 273 HA3 GLY 36 HA3 GLY 36 -4.018 2.133 -7.706 274 H CYS 37 H CYS 37 -5.850 1.516 -5.523 275 HA CYS 37 HA CYS 37 -7.276 3.922 -5.488 276 HB2 CYS 37 HB2 CYS 37 -7.967 1.338 -5.152 277 HB3 CYS 37 HB3 CYS 37 -7.922 1.825 -3.469 278 HG CYS 37 HG CYS 37 -10.155 2.619 -3.537 279 H LEU 38 H LEU 38 -5.591 2.035 -2.863 280 HA LEU 38 HA LEU 38 -5.940 3.974 -0.891 281 HB2 LEU 38 HB2 LEU 38 -4.430 2.703 0.396 282 HB3 LEU 38 HB3 LEU 38 -5.388 1.583 -0.551 283 HG LEU 38 HG LEU 38 -3.318 1.735 -2.211 284 HD11 LEU 38 HD11 LEU 38 -2.205 2.640 0.441 285 HD12 LEU 38 HD12 LEU 38 -1.207 1.789 -0.762 286 HD13 LEU 38 HD13 LEU 38 -1.967 3.344 -1.176 287 HD21 LEU 38 HD21 LEU 38 -2.266 -0.156 -0.718 288 HD22 LEU 38 HD22 LEU 38 -3.762 0.051 0.224 289 HD23 LEU 38 HD23 LEU 38 -3.849 -0.381 -1.501 290 H ALA 39 H ALA 39 -3.655 3.674 -3.578 291 HA ALA 39 HA ALA 39 -1.693 5.413 -2.570 292 HB1 ALA 39 HB1 ALA 39 -1.288 5.647 -5.162 293 HB2 ALA 39 HB2 ALA 39 -1.009 4.083 -4.361 294 HB3 ALA 39 HB3 ALA 39 -2.511 4.358 -5.275 295 H GLY 40 H GLY 40 -4.336 5.989 -5.008 296 HA2 GLY 40 HA2 GLY 40 -3.985 8.776 -5.099 297 HA3 GLY 40 HA3 GLY 40 -5.398 7.876 -5.613 298 H TYR 41 H TYR 41 -6.726 6.900 -3.607 299 HA TYR 41 HA TYR 41 -7.880 8.998 -2.284 300 HB2 TYR 41 HB2 TYR 41 -8.673 6.582 -2.594 301 HB3 TYR 41 HB3 TYR 41 -7.473 6.063 -1.427 302 HD1 TYR 41 HD2 TYR 41 -10.605 8.011 -1.842 303 HD2 TYR 41 HD1 TYR 41 -7.876 6.225 0.927 304 HE1 TYR 41 HE2 TYR 41 -12.276 8.361 0.042 305 HE2 TYR 41 HE1 TYR 41 -9.556 6.582 2.802 306 HH TYR 41 HH TYR 41 -12.799 7.493 2.165 307 H GLY 42 H GLY 42 -5.027 7.045 -1.361 308 HA2 GLY 42 HA2 GLY 42 -4.905 7.858 1.342 309 HA3 GLY 42 HA3 GLY 42 -3.604 7.193 0.376 310 H ALA 43 H ALA 43 -2.470 8.715 -1.189 311 HA ALA 43 HA ALA 43 -1.389 10.850 0.057 312 HB1 ALA 43 HB1 ALA 43 -1.088 11.667 -2.451 313 HB2 ALA 43 HB2 ALA 43 -0.288 10.186 -1.873 314 HB3 ALA 43 HB3 ALA 43 -1.791 10.074 -2.821 315 H TYR 44 H TYR 44 -3.982 11.122 -2.485 316 HA TYR 44 HA TYR 44 -5.664 12.554 -2.705 317 HB2 TYR 44 HB2 TYR 44 -5.592 12.004 -0.040 318 HB3 TYR 44 HB3 TYR 44 -5.072 13.674 0.072 319 HD1 TYR 44 HD2 TYR 44 -7.872 11.439 -0.773 320 HD2 TYR 44 HD1 TYR 44 -6.607 15.509 -0.406 321 HE1 TYR 44 HE2 TYR 44 -10.295 12.206 -0.852 322 HE2 TYR 44 HE1 TYR 44 -9.034 16.263 -0.486 323 HH TYR 44 HH TYR 44 -11.092 15.662 -0.823 324 H ARG 45 H ARG 45 -3.301 14.250 -0.513 325 HA ARG 45 HA ARG 45 -3.151 16.276 -2.598 326 HB2 ARG 45 HB2 ARG 45 -3.968 16.547 0.169 327 HB3 ARG 45 HB3 ARG 45 -2.463 17.420 -0.038 328 HG2 ARG 45 HG2 ARG 45 -3.552 18.455 -2.166 329 HG3 ARG 45 HG3 ARG 45 -5.068 17.814 -1.564 330 HD2 ARG 45 HD2 ARG 45 -3.401 19.374 0.393 331 HD3 ARG 45 HD3 ARG 45 -4.149 20.288 -0.902 332 HE ARG 45 HE ARG 45 -6.282 19.826 0.001 333 HH11 ARG 45 HH22 ARG 45 -3.829 17.891 1.620 334 HH12 ARG 45 HH21 ARG 45 -4.891 17.373 2.886 335 HH21 ARG 45 HH12 ARG 45 -7.684 19.142 1.671 336 HH22 ARG 45 HH11 ARG 45 -7.099 18.089 2.915 337 H VAL 46 H VAL 46 -1.540 13.775 -1.237 338 HA VAL 46 HA VAL 46 0.958 15.078 -0.644 339 HB VAL 46 HB VAL 46 0.013 12.216 -0.768 340 HG11 VAL 46 HG11 VAL 46 2.249 11.618 0.201 341 HG12 VAL 46 HG12 VAL 46 2.304 12.143 -1.499 342 HG13 VAL 46 HG13 VAL 46 2.807 13.259 -0.206 343 HG21 VAL 46 HG21 VAL 46 0.146 12.244 1.593 344 HG22 VAL 46 HG22 VAL 46 1.083 13.758 1.606 345 HG23 VAL 46 HG23 VAL 46 -0.637 13.779 1.148 346 H SER 47 H SER 47 -0.736 14.440 -3.460 347 HA SER 47 HA SER 47 1.477 13.472 -4.976 348 HB2 SER 47 HB2 SER 47 -0.772 12.791 -5.619 349 HB3 SER 47 HB3 SER 47 -1.301 14.457 -5.745 350 HG SER 47 HG SER 47 -0.311 14.690 -7.674 351 H ASN 48 H ASN 48 2.779 14.680 -6.431 352 HA ASN 48 HA ASN 48 3.630 16.418 -7.443 353 HB2 ASN 48 HB2 ASN 48 1.143 17.199 -7.696 354 HB3 ASN 48 HB3 ASN 48 1.454 18.249 -6.328 355 HD21 ASN 48 HD21 ASN 48 1.129 20.080 -7.573 356 HD22 ASN 48 HD22 ASN 48 2.291 20.671 -8.712 357 H ASP 49 H ASP 49 1.992 17.596 -4.396 358 HA ASP 49 HA ASP 49 4.100 19.264 -3.682 359 HB2 ASP 49 HB2 ASP 49 1.629 19.220 -2.862 360 HB3 ASP 49 HB3 ASP 49 2.135 17.962 -1.752 361 H LYS 50 H LYS 50 3.793 15.857 -3.730 362 HA LYS 50 HA LYS 50 6.204 15.543 -2.208 363 HB2 LYS 50 HB2 LYS 50 3.615 15.030 -0.974 364 HB3 LYS 50 HB3 LYS 50 4.597 13.580 -1.029 365 HG2 LYS 50 HG2 LYS 50 6.170 14.421 0.431 366 HG3 LYS 50 HG3 LYS 50 6.083 16.039 -0.236 367 HD2 LYS 50 HD2 LYS 50 3.967 16.470 0.959 368 HD3 LYS 50 HD3 LYS 50 3.915 14.815 1.533 369 HE2 LYS 50 HE2 LYS 50 6.448 15.648 2.362 370 HE3 LYS 50 HE3 LYS 50 5.496 17.108 2.547 371 HZ1 LYS 50 HZ1 LYS 50 4.807 14.479 3.666 372 HZ2 LYS 50 HZ2 LYS 50 5.392 15.752 4.505 373 HZ3 LYS 50 HZ3 LYS 50 3.908 15.833 3.829 374 H ARG 51 H ARG 51 6.077 12.713 -1.943 375 HA ARG 51 HA ARG 51 6.895 11.938 -4.391 376 HB2 ARG 51 HB2 ARG 51 6.282 9.542 -3.509 377 HB3 ARG 51 HB3 ARG 51 7.444 10.488 -2.600 378 HG2 ARG 51 HG2 ARG 51 4.847 11.227 -1.630 379 HG3 ARG 51 HG3 ARG 51 4.860 9.478 -1.743 380 HD2 ARG 51 HD2 ARG 51 6.923 11.192 -0.274 381 HD3 ARG 51 HD3 ARG 51 5.682 10.208 0.477 382 HE ARG 51 HE ARG 51 7.439 8.710 -1.339 383 HH11 ARG 51 HH22 ARG 51 6.955 9.831 1.961 384 HH12 ARG 51 HH21 ARG 51 7.972 8.615 2.659 385 HH21 ARG 51 HH12 ARG 51 8.782 7.106 -0.419 386 HH22 ARG 51 HH11 ARG 51 9.019 7.055 1.296 387 H ASP 52 H ASP 52 5.938 10.931 -6.229 388 HA ASP 52 HA ASP 52 3.023 10.906 -6.152 389 HB2 ASP 52 HB2 ASP 52 4.327 12.587 -7.687 390 HB3 ASP 52 HB3 ASP 52 4.710 11.186 -8.666 391 H VAL 53 H VAL 53 5.900 9.591 -7.980 392 HA VAL 53 HA VAL 53 4.429 7.104 -8.389 393 HB VAL 53 HB VAL 53 6.990 8.188 -9.577 394 HG11 VAL 53 HG11 VAL 53 6.689 6.279 -11.213 395 HG12 VAL 53 HG12 VAL 53 7.185 5.810 -9.570 396 HG13 VAL 53 HG13 VAL 53 5.494 5.601 -10.082 397 HG21 VAL 53 HG21 VAL 53 4.910 9.366 -10.266 398 HG22 VAL 53 HG22 VAL 53 5.706 8.510 -11.609 399 HG23 VAL 53 HG23 VAL 53 4.256 7.814 -10.845 400 H LYS 54 H LYS 54 6.674 8.567 -6.253 401 HA LYS 54 HA LYS 54 8.386 6.409 -5.756 402 HB2 LYS 54 HB2 LYS 54 8.215 9.024 -4.957 403 HB3 LYS 54 HB3 LYS 54 7.748 8.190 -3.488 404 HG2 LYS 54 HG2 LYS 54 9.839 7.282 -3.173 405 HG3 LYS 54 HG3 LYS 54 10.077 6.969 -4.881 406 HD2 LYS 54 HD2 LYS 54 11.082 9.009 -5.260 407 HD3 LYS 54 HD3 LYS 54 10.019 9.860 -4.157 408 HE2 LYS 54 HE2 LYS 54 11.610 9.806 -2.542 409 HE3 LYS 54 HE3 LYS 54 11.621 8.054 -2.582 410 HZ1 LYS 54 HZ1 LYS 54 13.765 9.001 -3.120 411 HZ2 LYS 54 HZ2 LYS 54 13.185 8.145 -4.384 412 HZ3 LYS 54 HZ3 LYS 54 13.142 9.777 -4.415 413 H VAL 55 H VAL 55 5.202 7.383 -4.363 414 HA VAL 55 HA VAL 55 5.177 5.276 -2.472 415 HB VAL 55 HB VAL 55 3.937 7.389 -2.258 416 HG11 VAL 55 HG11 VAL 55 3.281 7.335 -4.780 417 HG12 VAL 55 HG12 VAL 55 1.895 6.366 -4.223 418 HG13 VAL 55 HG13 VAL 55 2.138 8.015 -3.597 419 HG21 VAL 55 HG21 VAL 55 2.018 6.472 -1.215 420 HG22 VAL 55 HG22 VAL 55 1.977 5.084 -2.328 421 HG23 VAL 55 HG23 VAL 55 3.269 5.211 -1.110 422 H SER 56 H SER 56 4.024 5.702 -5.845 423 HA SER 56 HA SER 56 2.412 3.526 -6.027 424 HB2 SER 56 HB2 SER 56 3.092 5.390 -7.766 425 HB3 SER 56 HB3 SER 56 4.318 4.244 -8.270 426 HG SER 56 HG SER 56 2.532 3.814 -9.555 427 H LEU 57 H LEU 57 5.961 3.693 -6.844 428 HA LEU 57 HA LEU 57 6.162 0.888 -7.166 429 HB2 LEU 57 HB2 LEU 57 7.593 2.901 -8.069 430 HB3 LEU 57 HB3 LEU 57 8.507 2.652 -6.595 431 HG LEU 57 HG LEU 57 8.047 0.143 -8.014 432 HD11 LEU 57 HD11 LEU 57 8.276 0.869 -10.115 433 HD12 LEU 57 HD12 LEU 57 8.837 2.478 -9.601 434 HD13 LEU 57 HD13 LEU 57 9.987 1.124 -9.696 435 HD21 LEU 57 HD21 LEU 57 10.802 1.035 -7.789 436 HD22 LEU 57 HD22 LEU 57 9.912 1.251 -6.263 437 HD23 LEU 57 HD23 LEU 57 9.980 -0.352 -7.034 438 H PHE 58 H PHE 58 7.582 3.096 -4.646 439 HA PHE 58 HA PHE 58 8.575 1.350 -2.926 440 HB2 PHE 58 HB2 PHE 58 8.393 3.847 -2.645 441 HB3 PHE 58 HB3 PHE 58 6.670 3.701 -2.365 442 HD1 PHE 58 HD2 PHE 58 5.908 2.400 -0.297 443 HD2 PHE 58 HD1 PHE 58 9.902 3.717 -0.858 444 HE1 PHE 58 HE2 PHE 58 6.326 2.181 2.169 445 HE2 PHE 58 HE1 PHE 58 10.321 3.498 1.607 446 HZ PHE 58 HZ PHE 58 8.528 2.732 3.091 447 H THR 59 H THR 59 5.072 1.956 -3.440 448 HA THR 59 HA THR 59 4.278 0.319 -1.233 449 HB THR 59 HB THR 59 2.821 1.516 -3.646 450 HG1 THR 59 HG1 THR 59 2.144 2.912 -1.742 451 HG21 THR 59 HG21 THR 59 1.700 0.363 -1.038 452 HG22 THR 59 HG22 THR 59 0.759 1.160 -2.321 453 HG23 THR 59 HG23 THR 59 1.536 -0.411 -2.633 454 H ALA 60 H ALA 60 3.990 -0.117 -4.828 455 HA ALA 60 HA ALA 60 3.051 -2.629 -4.896 456 HB1 ALA 60 HB1 ALA 60 3.823 -0.971 -6.767 457 HB2 ALA 60 HB2 ALA 60 5.370 -1.846 -6.666 458 HB3 ALA 60 HB3 ALA 60 3.879 -2.721 -7.087 459 H PHE 61 H PHE 61 6.482 -1.645 -4.321 460 HA PHE 61 HA PHE 61 7.436 -4.293 -4.187 461 HB2 PHE 61 HB2 PHE 61 8.427 -1.679 -4.271 462 HB3 PHE 61 HB3 PHE 61 8.734 -2.094 -2.596 463 HD1 PHE 61 HD1 PHE 61 9.991 -4.341 -2.185 464 HD2 PHE 61 HD2 PHE 61 9.959 -2.297 -5.903 465 HE1 PHE 61 HE1 PHE 61 12.080 -5.552 -2.869 466 HE2 PHE 61 HE2 PHE 61 12.048 -3.508 -6.587 467 HZ PHE 61 HZ PHE 61 13.084 -5.121 -5.062 468 H PHE 62 H PHE 62 6.381 -1.883 -1.702 469 HA PHE 62 HA PHE 62 7.098 -3.386 0.519 470 HB2 PHE 62 HB2 PHE 62 6.366 -0.938 0.359 471 HB3 PHE 62 HB3 PHE 62 4.731 -1.478 0.036 472 HD1 PHE 62 HD2 PHE 62 7.418 -1.790 2.601 473 HD2 PHE 62 HD1 PHE 62 3.251 -1.732 1.803 474 HE1 PHE 62 HE2 PHE 62 6.946 -1.834 5.066 475 HE2 PHE 62 HE1 PHE 62 2.778 -1.777 4.267 476 HZ PHE 62 HZ PHE 62 4.631 -1.827 5.869 477 H LEU 63 H LEU 63 3.742 -2.925 -0.818 478 HA LEU 63 HA LEU 63 2.529 -4.838 0.715 479 HB2 LEU 63 HB2 LEU 63 1.922 -3.228 -1.567 480 HB3 LEU 63 HB3 LEU 63 1.322 -4.849 -1.856 481 HG LEU 63 HG LEU 63 0.506 -4.332 0.749 482 HD11 LEU 63 HD11 LEU 63 0.324 -1.800 -0.896 483 HD12 LEU 63 HD12 LEU 63 -0.711 -2.136 0.513 484 HD13 LEU 63 HD13 LEU 63 1.055 -2.022 0.712 485 HD21 LEU 63 HD21 LEU 63 -1.608 -4.662 -0.074 486 HD22 LEU 63 HD22 LEU 63 -1.317 -3.690 -1.536 487 HD23 LEU 63 HD23 LEU 63 -0.633 -5.328 -1.406 488 H ALA 64 H ALA 64 4.211 -5.211 -2.460 489 HA ALA 64 HA ALA 64 3.611 -7.816 -2.989 490 HB1 ALA 64 HB1 ALA 64 4.822 -6.572 -4.596 491 HB2 ALA 64 HB2 ALA 64 6.093 -6.134 -3.429 492 HB3 ALA 64 HB3 ALA 64 5.977 -7.804 -4.034 493 H THR 65 H THR 65 6.352 -6.563 -0.959 494 HA THR 65 HA THR 65 7.347 -9.057 -0.230 495 HB THR 65 HB THR 65 7.399 -6.251 0.952 496 HG1 THR 65 HG1 THR 65 9.625 -6.604 0.167 497 HG21 THR 65 HG21 THR 65 7.939 -7.291 2.966 498 HG22 THR 65 HG22 THR 65 8.337 -8.834 2.174 499 HG23 THR 65 HG23 THR 65 9.509 -7.495 2.153 500 H ILE 66 H ILE 66 4.992 -6.943 1.542 501 HA ILE 66 HA ILE 66 4.586 -8.569 3.691 502 HB ILE 66 HB ILE 66 2.643 -6.806 2.201 503 HG12 ILE 66 HG12 ILE 66 4.824 -5.851 3.164 504 HG13 ILE 66 HG13 ILE 66 3.318 -5.057 3.582 505 HG21 ILE 66 HG21 ILE 66 2.365 -8.337 4.766 506 HG22 ILE 66 HG22 ILE 66 1.578 -6.750 4.588 507 HG23 ILE 66 HG23 ILE 66 1.185 -8.070 3.460 508 HD11 ILE 66 HD11 ILE 66 3.380 -5.770 5.793 509 HD12 ILE 66 HD12 ILE 66 4.254 -7.269 5.395 510 HD13 ILE 66 HD13 ILE 66 5.126 -5.718 5.453 511 H MET 67 H MET 67 2.516 -8.541 0.698 512 HA MET 67 HA MET 67 0.959 -10.625 1.243 513 HB2 MET 67 HB2 MET 67 2.336 -9.791 -1.357 514 HB3 MET 67 HB3 MET 67 1.144 -11.076 -1.345 515 HG2 MET 67 HG2 MET 67 0.196 -8.702 0.123 516 HG3 MET 67 HG3 MET 67 0.618 -8.313 -1.532 517 HE1 MET 67 HE1 MET 67 -2.043 -11.244 0.322 518 HE2 MET 67 HE2 MET 67 -1.407 -9.697 0.930 519 HE3 MET 67 HE3 MET 67 -2.984 -9.749 0.107 520 H GLY 68 H GLY 68 3.996 -11.028 -0.731 521 HA2 GLY 68 HA2 GLY 68 5.331 -12.814 -1.033 522 HA3 GLY 68 HA3 GLY 68 5.164 -13.061 0.694 523 H VAL 69 H VAL 69 2.563 -13.242 -1.808 524 HA VAL 69 HA VAL 69 1.245 -15.372 -0.874 525 HB VAL 69 HB VAL 69 1.847 -14.606 -3.732 526 HG11 VAL 69 HG11 VAL 69 0.048 -16.737 -2.609 527 HG12 VAL 69 HG12 VAL 69 -0.438 -15.854 -4.077 528 HG13 VAL 69 HG13 VAL 69 1.088 -16.770 -4.053 529 HG21 VAL 69 HG21 VAL 69 0.631 -13.032 -2.048 530 HG22 VAL 69 HG22 VAL 69 -0.066 -13.282 -3.666 531 HG23 VAL 69 HG23 VAL 69 -0.742 -14.144 -2.264 532 H ARG 70 H ARG 70 3.886 -15.639 -3.366 533 HA ARG 70 HA ARG 70 4.622 -18.119 -2.082 534 HB2 ARG 70 HB2 ARG 70 3.083 -18.173 -4.384 535 HB3 ARG 70 HB3 ARG 70 4.696 -18.205 -5.068 536 HG2 ARG 70 HG2 ARG 70 4.085 -20.504 -4.725 537 HG3 ARG 70 HG3 ARG 70 5.243 -20.125 -3.465 538 HD2 ARG 70 HD2 ARG 70 3.034 -19.472 -2.085 539 HD3 ARG 70 HD3 ARG 70 2.258 -20.541 -3.237 540 HE ARG 70 HE ARG 70 4.679 -21.678 -2.026 541 HH11 ARG 70 HH22 ARG 70 1.195 -21.288 -1.719 542 HH12 ARG 70 HH21 ARG 70 1.002 -22.671 -0.694 543 HH21 ARG 70 HH12 ARG 70 4.425 -23.503 -0.674 544 HH22 ARG 70 HH11 ARG 70 2.852 -23.939 -0.096 545 H PHE 71 H PHE 71 6.536 -17.008 -1.345 546 HA PHE 71 HA PHE 71 8.205 -15.756 -3.349 547 HB2 PHE 71 HB2 PHE 71 7.654 -15.522 -0.556 548 HB3 PHE 71 HB3 PHE 71 9.275 -16.187 -0.614 549 HD1 PHE 71 HD1 PHE 71 7.223 -13.404 -2.000 550 HD2 PHE 71 HD2 PHE 71 11.093 -14.769 -0.916 551 HE1 PHE 71 HE1 PHE 71 8.150 -11.110 -2.418 552 HE2 PHE 71 HE2 PHE 71 12.019 -12.474 -1.334 553 HZ PHE 71 HZ PHE 71 10.537 -10.672 -2.081 554 H LYS 72 H LYS 72 9.022 -17.419 -4.673 555 HA LYS 72 HA LYS 72 10.655 -19.400 -3.243 556 HB2 LYS 72 HB2 LYS 72 8.517 -19.878 -4.945 557 HB3 LYS 72 HB3 LYS 72 9.906 -20.076 -5.994 558 HG2 LYS 72 HG2 LYS 72 9.919 -22.202 -5.115 559 HG3 LYS 72 HG3 LYS 72 10.830 -21.437 -3.829 560 HD2 LYS 72 HD2 LYS 72 9.221 -22.219 -2.421 561 HD3 LYS 72 HD3 LYS 72 8.205 -20.936 -3.048 562 HE2 LYS 72 HE2 LYS 72 6.798 -22.484 -3.920 563 HE3 LYS 72 HE3 LYS 72 8.082 -23.057 -4.966 564 HZ1 LYS 72 HZ1 LYS 72 7.037 -24.644 -3.284 565 HZ2 LYS 72 HZ2 LYS 72 8.659 -24.675 -3.472 566 HZ3 LYS 72 HZ3 LYS 72 8.000 -23.920 -2.182 567 H ARG 73 H ARG 73 10.374 -17.830 -6.514 568 HA ARG 73 HA ARG 73 12.993 -16.795 -6.218 569 HB2 ARG 73 HB2 ARG 73 13.093 -19.344 -7.056 570 HB3 ARG 73 HB3 ARG 73 12.685 -18.633 -8.604 571 HG2 ARG 73 HG2 ARG 73 14.664 -16.931 -7.958 572 HG3 ARG 73 HG3 ARG 73 15.177 -18.265 -6.943 573 HD2 ARG 73 HD2 ARG 73 14.461 -18.789 -9.844 574 HD3 ARG 73 HD3 ARG 73 16.028 -18.111 -9.452 575 HE ARG 73 HE ARG 73 15.142 -20.843 -8.945 576 HH11 ARG 73 HH22 ARG 73 17.333 -18.315 -7.853 577 HH12 ARG 73 HH21 ARG 73 18.452 -19.421 -7.129 578 HH21 ARG 73 HH12 ARG 73 16.619 -22.302 -7.991 579 HH22 ARG 73 HH11 ARG 73 18.044 -21.704 -7.208 580 H SER 74 H SER 74 11.838 -14.800 -6.628 581 HA SER 74 HA SER 74 11.680 -14.142 -9.333 582 HB2 SER 74 HB2 SER 74 9.197 -13.554 -9.347 583 HB3 SER 74 HB3 SER 74 9.569 -15.263 -9.444 584 HG SER 74 HG SER 74 8.894 -13.862 -6.998 585 H LYS 75 H LYS 75 11.304 -11.801 -9.611 586 HA LYS 75 HA LYS 75 11.710 -10.388 -7.084 587 HB2 LYS 75 HB2 LYS 75 12.777 -10.142 -9.791 588 HB3 LYS 75 HB3 LYS 75 12.160 -8.615 -9.191 589 HG2 LYS 75 HG2 LYS 75 13.757 -8.457 -7.533 590 HG3 LYS 75 HG3 LYS 75 13.747 -10.179 -7.207 591 HD2 LYS 75 HD2 LYS 75 14.842 -10.243 -9.693 592 HD3 LYS 75 HD3 LYS 75 15.352 -8.633 -9.225 593 HE2 LYS 75 HE2 LYS 75 16.549 -9.455 -7.297 594 HE3 LYS 75 HE3 LYS 75 15.780 -11.026 -7.390 595 HZ1 LYS 75 HZ1 LYS 75 18.142 -10.518 -8.415 596 HZ2 LYS 75 HZ2 LYS 75 17.153 -11.670 -9.018 597 HZ3 LYS 75 HZ3 LYS 75 17.233 -10.204 -9.735 598 H LYS 76 H LYS 76 10.318 -9.256 -10.217 599 HA LYS 76 HA LYS 76 7.904 -8.537 -8.703 600 HB2 LYS 76 HB2 LYS 76 9.610 -6.931 -10.562 601 HB3 LYS 76 HB3 LYS 76 7.879 -6.669 -10.605 602 HG2 LYS 76 HG2 LYS 76 7.801 -5.825 -8.434 603 HG3 LYS 76 HG3 LYS 76 9.150 -6.800 -7.885 604 HD2 LYS 76 HD2 LYS 76 10.746 -5.277 -8.624 605 HD3 LYS 76 HD3 LYS 76 9.768 -4.735 -9.974 606 HE2 LYS 76 HE2 LYS 76 8.593 -4.109 -7.313 607 HE3 LYS 76 HE3 LYS 76 10.134 -3.328 -7.607 608 HZ1 LYS 76 HZ1 LYS 76 7.722 -3.154 -9.264 609 HZ2 LYS 76 HZ2 LYS 76 8.472 -1.944 -8.464 610 HZ3 LYS 76 HZ3 LYS 76 9.178 -2.619 -9.773 611 H ILE 77 H ILE 77 7.952 -11.047 -9.708 612 HA ILE 77 HA ILE 77 6.618 -10.824 -12.311 613 HB ILE 77 HB ILE 77 8.174 -13.019 -10.977 614 HG12 ILE 77 HG12 ILE 77 9.012 -12.922 -13.539 615 HG13 ILE 77 HG13 ILE 77 8.482 -11.262 -13.359 616 HG21 ILE 77 HG21 ILE 77 7.259 -13.997 -13.442 617 HG22 ILE 77 HG22 ILE 77 6.826 -14.571 -11.814 618 HG23 ILE 77 HG23 ILE 77 5.821 -13.344 -12.621 619 HD11 ILE 77 HD11 ILE 77 10.283 -10.748 -12.083 620 HD12 ILE 77 HD12 ILE 77 9.963 -12.114 -10.987 621 HD13 ILE 77 HD13 ILE 77 10.924 -12.364 -12.464 622 H MET 78 H MET 78 6.460 -12.543 -9.117 623 HA MET 78 HA MET 78 4.013 -13.668 -9.455 624 HB2 MET 78 HB2 MET 78 5.862 -13.067 -7.297 625 HB3 MET 78 HB3 MET 78 4.246 -12.695 -6.730 626 HG2 MET 78 HG2 MET 78 4.033 -15.177 -8.135 627 HG3 MET 78 HG3 MET 78 5.477 -15.304 -7.149 628 HE1 MET 78 HE1 MET 78 1.169 -14.663 -5.689 629 HE2 MET 78 HE2 MET 78 1.939 -13.593 -6.886 630 HE3 MET 78 HE3 MET 78 1.667 -15.309 -7.271 631 HA PRO 79 HA PRO 79 2.069 -9.668 -7.804 632 HB2 PRO 79 HB2 PRO 79 3.590 -7.413 -7.536 633 HB3 PRO 79 HB3 PRO 79 3.258 -8.508 -6.209 634 HG2 PRO 79 HG2 PRO 79 5.752 -8.180 -7.762 635 HG3 PRO 79 HG3 PRO 79 5.525 -8.935 -6.197 636 HD2 PRO 79 HD2 PRO 79 5.894 -10.270 -8.709 637 HD3 PRO 79 HD3 PRO 79 5.551 -11.021 -7.164 638 H ALA 80 H ALA 80 1.772 -10.475 -10.195 639 HA ALA 80 HA ALA 80 2.635 -8.736 -12.203 640 HB1 ALA 80 HB1 ALA 80 1.694 -11.116 -12.369 641 HB2 ALA 80 HB2 ALA 80 0.081 -10.376 -12.226 642 HB3 ALA 80 HB3 ALA 80 1.136 -9.955 -13.597 643 H GLY 81 H GLY 81 -0.487 -8.921 -10.360 644 HA2 GLY 81 HA2 GLY 81 -1.642 -6.662 -11.612 645 HA3 GLY 81 HA3 GLY 81 -2.150 -7.423 -10.118 646 H LEU 82 H LEU 82 0.196 -7.147 -8.524 647 HA LEU 82 HA LEU 82 -0.146 -4.693 -7.405 648 HB2 LEU 82 HB2 LEU 82 1.685 -6.907 -7.189 649 HB3 LEU 82 HB3 LEU 82 2.548 -5.396 -6.983 650 HG LEU 82 HG LEU 82 0.002 -5.789 -5.458 651 HD11 LEU 82 HD11 LEU 82 1.021 -7.057 -3.726 652 HD12 LEU 82 HD12 LEU 82 1.333 -7.917 -5.253 653 HD13 LEU 82 HD13 LEU 82 2.623 -6.953 -4.496 654 HD21 LEU 82 HD21 LEU 82 1.456 -3.664 -5.518 655 HD22 LEU 82 HD22 LEU 82 0.919 -4.278 -3.936 656 HD23 LEU 82 HD23 LEU 82 2.584 -4.578 -4.488 657 H VAL 83 H VAL 83 2.762 -5.558 -9.411 658 HA VAL 83 HA VAL 83 3.629 -2.960 -9.725 659 HB VAL 83 HB VAL 83 4.790 -3.912 -11.760 660 HG11 VAL 83 HG11 VAL 83 5.493 -5.900 -9.765 661 HG12 VAL 83 HG12 VAL 83 6.407 -4.480 -10.328 662 HG13 VAL 83 HG13 VAL 83 5.217 -4.310 -9.016 663 HG21 VAL 83 HG21 VAL 83 3.855 -5.711 -12.709 664 HG22 VAL 83 HG22 VAL 83 4.498 -6.650 -11.341 665 HG23 VAL 83 HG23 VAL 83 2.832 -6.025 -11.287 666 H ALA 84 H ALA 84 1.304 -4.903 -11.679 667 HA ALA 84 HA ALA 84 1.001 -3.192 -13.804 668 HB1 ALA 84 HB1 ALA 84 0.037 -5.457 -13.636 669 HB2 ALA 84 HB2 ALA 84 -1.096 -4.887 -12.387 670 HB3 ALA 84 HB3 ALA 84 -1.215 -4.260 -14.048 671 H GLY 85 H GLY 85 -0.189 -2.944 -10.453 672 HA2 GLY 85 HA2 GLY 85 -2.031 -0.811 -11.015 673 HA3 GLY 85 HA3 GLY 85 -1.525 -1.410 -9.447 674 H LEU 86 H LEU 86 1.296 -1.123 -9.601 675 HA LEU 86 HA LEU 86 1.636 1.488 -8.831 676 HB2 LEU 86 HB2 LEU 86 3.618 0.725 -8.248 677 HB3 LEU 86 HB3 LEU 86 3.145 -0.818 -8.929 678 HG LEU 86 HG LEU 86 4.082 0.129 -11.165 679 HD11 LEU 86 HD11 LEU 86 4.626 2.311 -10.958 680 HD12 LEU 86 HD12 LEU 86 4.923 2.191 -9.207 681 HD13 LEU 86 HD13 LEU 86 6.162 1.640 -10.360 682 HD21 LEU 86 HD21 LEU 86 5.164 -1.724 -10.269 683 HD22 LEU 86 HD22 LEU 86 6.457 -0.505 -10.371 684 HD23 LEU 86 HD23 LEU 86 5.678 -0.848 -8.807 685 H SER 87 H SER 87 2.056 -0.023 -12.075 686 HA SER 87 HA SER 87 3.037 2.356 -13.214 687 HB2 SER 87 HB2 SER 87 2.835 -0.328 -13.977 688 HB3 SER 87 HB3 SER 87 1.720 0.472 -15.067 689 HG SER 87 HG SER 87 3.365 1.340 -16.131 690 H LEU 88 H LEU 88 -0.140 0.589 -13.454 691 HA LEU 88 HA LEU 88 -1.492 2.348 -15.022 692 HB2 LEU 88 HB2 LEU 88 -2.139 0.278 -13.072 693 HB3 LEU 88 HB3 LEU 88 -3.370 1.521 -13.162 694 HG LEU 88 HG LEU 88 -2.349 0.323 -15.714 695 HD11 LEU 88 HD11 LEU 88 -4.126 -1.444 -15.518 696 HD12 LEU 88 HD12 LEU 88 -2.716 -1.664 -14.454 697 HD13 LEU 88 HD13 LEU 88 -4.244 -1.040 -13.789 698 HD21 LEU 88 HD21 LEU 88 -3.920 2.256 -15.693 699 HD22 LEU 88 HD22 LEU 88 -4.556 0.816 -16.524 700 HD23 LEU 88 HD23 LEU 88 -5.121 1.220 -14.886 701 H MET 89 H MET 89 -0.496 2.707 -11.635 702 HA MET 89 HA MET 89 -2.224 4.900 -11.166 703 HB2 MET 89 HB2 MET 89 -1.065 3.232 -9.483 704 HB3 MET 89 HB3 MET 89 0.353 4.247 -9.657 705 HG2 MET 89 HG2 MET 89 -1.869 6.010 -9.205 706 HG3 MET 89 HG3 MET 89 -2.016 4.709 -8.041 707 HE1 MET 89 HE1 MET 89 1.616 6.632 -9.339 708 HE2 MET 89 HE2 MET 89 -0.017 7.220 -9.736 709 HE3 MET 89 HE3 MET 89 0.928 8.013 -8.453 710 H MET 90 H MET 90 1.412 4.682 -11.307 711 HA MET 90 HA MET 90 2.030 7.253 -11.284 712 HB2 MET 90 HB2 MET 90 3.751 5.540 -11.469 713 HB3 MET 90 HB3 MET 90 3.129 4.978 -13.008 714 HG2 MET 90 HG2 MET 90 3.814 7.841 -13.105 715 HG3 MET 90 HG3 MET 90 5.190 6.868 -12.625 716 HE1 MET 90 HE1 MET 90 5.714 4.416 -15.518 717 HE2 MET 90 HE2 MET 90 6.565 5.371 -14.280 718 HE3 MET 90 HE3 MET 90 5.225 4.297 -13.811 719 H ILE 91 H ILE 91 0.493 5.509 -13.986 720 HA ILE 91 HA ILE 91 0.838 7.756 -15.769 721 HB ILE 91 HB ILE 91 -0.511 5.072 -16.043 722 HG12 ILE 91 HG12 ILE 91 1.959 6.094 -17.455 723 HG13 ILE 91 HG13 ILE 91 2.041 5.266 -15.913 724 HG21 ILE 91 HG21 ILE 91 -1.588 6.957 -17.375 725 HG22 ILE 91 HG22 ILE 91 -0.060 7.046 -18.284 726 HG23 ILE 91 HG23 ILE 91 -1.015 5.544 -18.294 727 HD11 ILE 91 HD11 ILE 91 0.562 3.427 -17.078 728 HD12 ILE 91 HD12 ILE 91 1.111 4.192 -18.588 729 HD13 ILE 91 HD13 ILE 91 2.299 3.503 -17.457 730 H LEU 92 H LEU 92 -1.784 6.094 -13.923 731 HA LEU 92 HA LEU 92 -3.895 7.608 -14.853 732 HB2 LEU 92 HB2 LEU 92 -4.592 5.820 -13.664 733 HB3 LEU 92 HB3 LEU 92 -3.305 5.944 -12.481 734 HG LEU 92 HG LEU 92 -5.543 7.960 -12.517 735 HD11 LEU 92 HD11 LEU 92 -6.214 5.374 -12.410 736 HD12 LEU 92 HD12 LEU 92 -5.787 5.617 -10.699 737 HD13 LEU 92 HD13 LEU 92 -7.042 6.628 -11.455 738 HD21 LEU 92 HD21 LEU 92 -3.256 7.923 -11.095 739 HD22 LEU 92 HD22 LEU 92 -4.778 8.627 -10.500 740 HD23 LEU 92 HD23 LEU 92 -4.305 6.984 -10.006 741 H ARG 93 H ARG 93 -1.161 8.531 -12.910 742 HA ARG 93 HA ARG 93 -2.594 10.862 -11.968 743 HB2 ARG 93 HB2 ARG 93 -0.248 9.305 -11.053 744 HB3 ARG 93 HB3 ARG 93 0.048 11.032 -11.021 745 HG2 ARG 93 HG2 ARG 93 -2.621 10.445 -9.979 746 HG3 ARG 93 HG3 ARG 93 -1.415 9.505 -9.122 747 HD2 ARG 93 HD2 ARG 93 -0.206 12.023 -9.304 748 HD3 ARG 93 HD3 ARG 93 -1.897 12.427 -9.079 749 HE ARG 93 HE ARG 93 -0.129 11.231 -7.105 750 HH11 ARG 93 HH22 ARG 93 -3.488 11.403 -8.142 751 HH12 ARG 93 HH21 ARG 93 -4.124 11.023 -6.577 752 HH21 ARG 93 HH12 ARG 93 -0.968 10.729 -5.039 753 HH22 ARG 93 HH11 ARG 93 -2.681 10.637 -4.800 754 H LEU 94 H LEU 94 0.298 9.820 -13.872 755 HA LEU 94 HA LEU 94 1.288 12.352 -14.439 756 HB2 LEU 94 HB2 LEU 94 2.465 10.203 -14.742 757 HB3 LEU 94 HB3 LEU 94 1.428 9.836 -16.106 758 HG LEU 94 HG LEU 94 2.999 12.387 -16.153 759 HD11 LEU 94 HD11 LEU 94 5.027 11.474 -16.360 760 HD12 LEU 94 HD12 LEU 94 4.316 10.046 -15.571 761 HD13 LEU 94 HD13 LEU 94 4.424 10.120 -17.346 762 HD21 LEU 94 HD21 LEU 94 1.462 10.766 -18.004 763 HD22 LEU 94 HD22 LEU 94 2.040 12.442 -18.157 764 HD23 LEU 94 HD23 LEU 94 3.100 11.089 -18.621 765 H VAL 95 H VAL 95 -1.639 10.789 -15.435 766 HA VAL 95 HA VAL 95 -1.921 12.008 -17.960 767 HB VAL 95 HB VAL 95 -3.674 10.616 -15.985 768 HG11 VAL 95 HG11 VAL 95 -4.620 12.453 -18.163 769 HG12 VAL 95 HG12 VAL 95 -5.525 10.957 -17.829 770 HG13 VAL 95 HG13 VAL 95 -5.295 12.164 -16.541 771 HG21 VAL 95 HG21 VAL 95 -2.972 10.184 -18.906 772 HG22 VAL 95 HG22 VAL 95 -2.393 9.250 -17.506 773 HG23 VAL 95 HG23 VAL 95 -4.107 9.172 -17.981 774 H LEU 96 H LEU 96 -3.439 12.790 -14.745 775 HA LEU 96 HA LEU 96 -4.300 15.330 -15.730 776 HB2 LEU 96 HB2 LEU 96 -5.238 15.633 -13.558 777 HB3 LEU 96 HB3 LEU 96 -5.594 14.014 -14.127 778 HG LEU 96 HG LEU 96 -3.159 14.203 -12.471 779 HD11 LEU 96 HD11 LEU 96 -5.337 15.722 -11.600 780 HD12 LEU 96 HD12 LEU 96 -5.440 14.200 -10.682 781 HD13 LEU 96 HD13 LEU 96 -3.948 15.171 -10.633 782 HD21 LEU 96 HD21 LEU 96 -5.550 12.386 -12.700 783 HD22 LEU 96 HD22 LEU 96 -3.832 12.037 -13.007 784 HD23 LEU 96 HD23 LEU 96 -4.411 12.257 -11.338 785 H LEU 97 H LEU 97 -1.639 14.061 -13.673 786 HA LEU 97 HA LEU 97 -0.023 15.204 -12.580 787 HB2 LEU 97 HB2 LEU 97 1.654 15.462 -14.045 788 HB3 LEU 97 HB3 LEU 97 0.503 14.700 -15.125 789 HG LEU 97 HG LEU 97 -0.111 17.360 -15.455 790 HD11 LEU 97 HD11 LEU 97 2.301 17.440 -14.091 791 HD12 LEU 97 HD12 LEU 97 2.771 17.633 -15.797 792 HD13 LEU 97 HD13 LEU 97 1.588 18.746 -15.068 793 HD21 LEU 97 HD21 LEU 97 1.985 15.937 -17.101 794 HD22 LEU 97 HD22 LEU 97 0.261 15.497 -17.141 795 HD23 LEU 97 HD23 LEU 97 0.775 17.130 -17.630 796 H LEU 98 H LEU 98 -2.478 16.560 -12.184 797 HA LEU 98 HA LEU 98 -1.512 19.333 -12.220 798 HB2 LEU 98 HB2 LEU 98 -3.923 19.990 -12.385 799 HB3 LEU 98 HB3 LEU 98 -3.202 19.309 -13.830 800 HG LEU 98 HG LEU 98 -4.294 17.080 -12.625 801 HD11 LEU 98 HD11 LEU 98 -5.646 19.416 -11.552 802 HD12 LEU 98 HD12 LEU 98 -6.761 18.363 -12.457 803 HD13 LEU 98 HD13 LEU 98 -5.802 17.699 -11.112 804 HD21 LEU 98 HD21 LEU 98 -4.926 18.840 -14.907 805 HD22 LEU 98 HD22 LEU 98 -4.721 17.074 -14.830 806 HD23 LEU 98 HD23 LEU 98 -6.267 17.812 -14.348 807 H LEU 99 H LEU 99 -3.950 17.114 -10.682 808 HA LEU 99 HA LEU 99 -4.165 18.582 -8.336 809 HB2 LEU 99 HB2 LEU 99 -5.718 17.080 -7.919 810 HB3 LEU 99 HB3 LEU 99 -5.305 16.324 -9.445 811 HG LEU 99 HG LEU 99 -3.485 15.085 -7.955 812 HD11 LEU 99 HD11 LEU 99 -4.094 14.694 -5.710 813 HD12 LEU 99 HD12 LEU 99 -4.183 16.457 -5.935 814 HD13 LEU 99 HD13 LEU 99 -5.675 15.487 -5.913 815 HD21 LEU 99 HD21 LEU 99 -4.780 13.534 -8.917 816 HD22 LEU 99 HD22 LEU 99 -5.647 13.509 -7.363 817 HD23 LEU 99 HD23 LEU 99 -6.262 14.498 -8.709 Start of MODEL 6 1 H MET 1 H1 MET 1 -23.920 5.752 24.706 2 HA MET 1 HA MET 1 -26.102 6.614 25.474 3 HB2 MET 1 HB2 MET 1 -24.363 8.985 25.609 4 HB3 MET 1 HB3 MET 1 -25.762 9.319 24.608 5 HG2 MET 1 HG2 MET 1 -26.930 7.990 26.745 6 HG3 MET 1 HG3 MET 1 -25.611 8.826 27.540 7 HE1 MET 1 HE1 MET 1 -29.137 10.761 27.841 8 HE2 MET 1 HE2 MET 1 -29.324 9.373 26.743 9 HE3 MET 1 HE3 MET 1 -28.390 9.197 28.248 10 H ASP 2 H ASP 2 -26.785 5.429 23.667 11 HA ASP 2 HA ASP 2 -26.818 6.972 21.225 12 HB2 ASP 2 HB2 ASP 2 -25.836 4.094 21.477 13 HB3 ASP 2 HB3 ASP 2 -26.318 4.797 19.946 14 H LEU 3 H LEU 3 -28.997 7.031 20.657 15 HA LEU 3 HA LEU 3 -30.752 5.004 21.749 16 HB2 LEU 3 HB2 LEU 3 -31.211 7.612 20.306 17 HB3 LEU 3 HB3 LEU 3 -32.509 6.510 20.721 18 HG LEU 3 HG LEU 3 -31.471 6.723 23.155 19 HD11 LEU 3 HD11 LEU 3 -29.722 8.120 23.195 20 HD12 LEU 3 HD12 LEU 3 -30.145 8.858 21.632 21 HD13 LEU 3 HD13 LEU 3 -30.947 9.410 23.122 22 HD21 LEU 3 HD21 LEU 3 -32.985 8.816 23.426 23 HD22 LEU 3 HD22 LEU 3 -33.375 8.545 21.711 24 HD23 LEU 3 HD23 LEU 3 -33.707 7.273 22.911 25 H ILE 4 H ILE 4 -30.260 6.529 18.481 26 HA ILE 4 HA ILE 4 -31.675 4.819 16.977 27 HB ILE 4 HB ILE 4 -30.755 6.591 15.858 28 HG12 ILE 4 HG12 ILE 4 -28.783 4.505 14.939 29 HG13 ILE 4 HG13 ILE 4 -30.503 4.281 14.691 30 HG21 ILE 4 HG21 ILE 4 -27.980 6.490 15.883 31 HG22 ILE 4 HG22 ILE 4 -29.015 7.605 16.806 32 HG23 ILE 4 HG23 ILE 4 -28.442 6.097 17.556 33 HD11 ILE 4 HD11 ILE 4 -30.686 6.261 13.345 34 HD12 ILE 4 HD12 ILE 4 -29.082 6.841 13.856 35 HD13 ILE 4 HD13 ILE 4 -29.217 5.428 12.781 36 H GLY 5 H GLY 5 -28.130 4.304 16.792 37 HA2 GLY 5 HA2 GLY 5 -26.937 2.402 16.659 38 HA3 GLY 5 HA3 GLY 5 -27.871 1.879 18.046 39 H PHE 6 H PHE 6 -29.463 2.651 14.956 40 HA PHE 6 HA PHE 6 -29.887 -0.230 14.572 41 HB2 PHE 6 HB2 PHE 6 -31.766 1.598 15.311 42 HB3 PHE 6 HB3 PHE 6 -31.763 1.960 13.597 43 HD1 PHE 6 HD1 PHE 6 -32.592 0.338 11.980 44 HD2 PHE 6 HD2 PHE 6 -32.620 -0.523 16.135 45 HE1 PHE 6 HE1 PHE 6 -34.166 -1.575 11.574 46 HE2 PHE 6 HE2 PHE 6 -34.193 -2.436 15.729 47 HZ PHE 6 HZ PHE 6 -34.948 -2.939 13.453 48 H GLY 7 H GLY 7 -29.980 2.992 12.883 49 HA2 GLY 7 HA2 GLY 7 -29.863 2.019 10.280 50 HA3 GLY 7 HA3 GLY 7 -29.333 3.600 10.820 51 H TYR 8 H TYR 8 -27.165 3.170 12.439 52 HA TYR 8 HA TYR 8 -25.123 2.652 10.624 53 HB2 TYR 8 HB2 TYR 8 -25.410 3.825 13.065 54 HB3 TYR 8 HB3 TYR 8 -24.893 2.253 13.641 55 HD1 TYR 8 HD2 TYR 8 -22.627 1.368 12.970 56 HD2 TYR 8 HD1 TYR 8 -23.851 5.383 12.140 57 HE1 TYR 8 HE2 TYR 8 -20.202 2.040 12.604 58 HE2 TYR 8 HE1 TYR 8 -21.422 6.041 11.778 59 HH TYR 8 HH TYR 8 -19.242 4.519 11.005 60 H ALA 9 H ALA 9 -26.625 0.576 13.172 61 HA ALA 9 HA ALA 9 -24.797 -1.538 12.884 62 HB1 ALA 9 HB1 ALA 9 -27.651 -1.993 13.706 63 HB2 ALA 9 HB2 ALA 9 -26.145 -2.606 14.431 64 HB3 ALA 9 HB3 ALA 9 -26.641 -0.918 14.703 65 H ALA 10 H ALA 10 -27.493 -0.389 10.954 66 HA ALA 10 HA ALA 10 -28.196 -2.818 9.739 67 HB1 ALA 10 HB1 ALA 10 -28.350 -0.183 8.296 68 HB2 ALA 10 HB2 ALA 10 -29.551 -1.492 8.401 69 HB3 ALA 10 HB3 ALA 10 -29.297 -0.404 9.786 70 H LEU 11 H LEU 11 -26.234 -0.067 8.382 71 HA LEU 11 HA LEU 11 -25.289 -1.487 6.208 72 HB2 LEU 11 HB2 LEU 11 -23.866 0.306 5.839 73 HB3 LEU 11 HB3 LEU 11 -25.255 0.999 6.652 74 HG LEU 11 HG LEU 11 -23.718 0.595 8.807 75 HD11 LEU 11 HD11 LEU 11 -21.373 1.053 8.335 76 HD12 LEU 11 HD12 LEU 11 -21.894 -0.452 7.542 77 HD13 LEU 11 HD13 LEU 11 -21.703 1.037 6.586 78 HD21 LEU 11 HD21 LEU 11 -23.436 2.871 8.882 79 HD22 LEU 11 HD22 LEU 11 -23.034 2.995 7.153 80 HD23 LEU 11 HD23 LEU 11 -24.721 2.736 7.658 81 H VAL 12 H VAL 12 -24.007 -1.187 9.560 82 HA VAL 12 HA VAL 12 -21.576 -2.428 9.154 83 HB VAL 12 HB VAL 12 -23.461 -2.120 11.461 84 HG11 VAL 12 HG11 VAL 12 -22.662 -4.049 12.337 85 HG12 VAL 12 HG12 VAL 12 -21.245 -4.078 11.260 86 HG13 VAL 12 HG13 VAL 12 -21.237 -3.052 12.714 87 HG21 VAL 12 HG21 VAL 12 -22.155 -0.375 12.023 88 HG22 VAL 12 HG22 VAL 12 -20.651 -1.263 11.681 89 HG23 VAL 12 HG23 VAL 12 -21.549 -0.489 10.354 90 H THR 13 H THR 13 -24.821 -3.849 9.899 91 HA THR 13 HA THR 13 -23.916 -6.507 10.014 92 HB THR 13 HB THR 13 -26.602 -5.143 9.514 93 HG1 THR 13 HG1 THR 13 -26.782 -5.866 11.748 94 HG21 THR 13 HG21 THR 13 -25.849 -8.068 9.493 95 HG22 THR 13 HG22 THR 13 -27.309 -7.597 10.395 96 HG23 THR 13 HG23 THR 13 -27.186 -7.245 8.655 97 H PHE 14 H PHE 14 -24.922 -4.407 7.299 98 HA PHE 14 HA PHE 14 -25.147 -6.452 5.411 99 HB2 PHE 14 HB2 PHE 14 -25.766 -3.863 5.454 100 HB3 PHE 14 HB3 PHE 14 -24.112 -3.608 4.934 101 HD1 PHE 14 HD1 PHE 14 -27.180 -5.502 3.991 102 HD2 PHE 14 HD2 PHE 14 -23.614 -3.622 2.668 103 HE1 PHE 14 HE1 PHE 14 -27.872 -5.868 1.607 104 HE2 PHE 14 HE2 PHE 14 -24.306 -3.987 0.283 105 HZ PHE 14 HZ PHE 14 -26.427 -5.106 -0.219 106 H GLY 15 H GLY 15 -22.401 -4.172 6.116 107 HA2 GLY 15 HA2 GLY 15 -20.615 -5.290 4.266 108 HA3 GLY 15 HA3 GLY 15 -20.205 -4.313 5.661 109 H SER 16 H SER 16 -21.597 -6.249 7.556 110 HA SER 16 HA SER 16 -19.335 -7.795 8.091 111 HB2 SER 16 HB2 SER 16 -21.745 -7.065 9.412 112 HB3 SER 16 HB3 SER 16 -21.744 -8.817 9.380 113 HG SER 16 HG SER 16 -19.823 -7.034 10.562 114 H ILE 17 H ILE 17 -22.633 -8.572 6.794 115 HA ILE 17 HA ILE 17 -22.075 -11.331 6.501 116 HB ILE 17 HB ILE 17 -24.209 -9.525 5.367 117 HG12 ILE 17 HG12 ILE 17 -24.240 -9.769 7.806 118 HG13 ILE 17 HG13 ILE 17 -25.637 -10.519 7.060 119 HG21 ILE 17 HG21 ILE 17 -24.132 -11.277 3.814 120 HG22 ILE 17 HG22 ILE 17 -23.793 -12.497 5.065 121 HG23 ILE 17 HG23 ILE 17 -25.407 -11.752 4.962 122 HD11 ILE 17 HD11 ILE 17 -23.317 -11.792 8.465 123 HD12 ILE 17 HD12 ILE 17 -25.034 -12.261 8.449 124 HD13 ILE 17 HD13 ILE 17 -23.987 -12.672 7.070 125 H PHE 18 H PHE 18 -22.666 -8.823 3.934 126 HA PHE 18 HA PHE 18 -21.810 -10.201 1.802 127 HB2 PHE 18 HB2 PHE 18 -22.323 -7.513 2.584 128 HB3 PHE 18 HB3 PHE 18 -20.695 -7.446 1.938 129 HD1 PHE 18 HD2 PHE 18 -24.192 -8.301 1.127 130 HD2 PHE 18 HD1 PHE 18 -20.293 -7.615 -0.401 131 HE1 PHE 18 HE2 PHE 18 -25.119 -8.220 -1.204 132 HE2 PHE 18 HE1 PHE 18 -21.220 -7.534 -2.732 133 HZ PHE 18 HZ PHE 18 -23.623 -7.837 -3.105 134 H GLY 19 H GLY 19 -19.696 -8.326 4.076 135 HA2 GLY 19 HA2 GLY 19 -17.484 -8.408 4.454 136 HA3 GLY 19 HA3 GLY 19 -17.551 -10.088 3.958 137 H TYR 20 H TYR 20 -17.910 -6.859 2.305 138 HA TYR 20 HA TYR 20 -17.032 -6.063 0.433 139 HB2 TYR 20 HB2 TYR 20 -14.957 -6.531 1.906 140 HB3 TYR 20 HB3 TYR 20 -14.805 -8.084 1.110 141 HD1 TYR 20 HD1 TYR 20 -14.992 -4.429 0.282 142 HD2 TYR 20 HD2 TYR 20 -13.407 -8.268 -0.744 143 HE1 TYR 20 HE1 TYR 20 -13.572 -3.364 -1.538 144 HE2 TYR 20 HE2 TYR 20 -11.992 -7.190 -2.561 145 HH TYR 20 HH TYR 20 -11.015 -4.636 -2.802 146 H LYS 21 H LYS 21 -18.025 -6.552 -1.459 147 HA LYS 21 HA LYS 21 -18.660 -9.076 -2.312 148 HB2 LYS 21 HB2 LYS 21 -19.432 -6.716 -3.100 149 HB3 LYS 21 HB3 LYS 21 -18.111 -6.831 -4.245 150 HG2 LYS 21 HG2 LYS 21 -19.022 -8.980 -5.111 151 HG3 LYS 21 HG3 LYS 21 -20.319 -8.921 -3.934 152 HD2 LYS 21 HD2 LYS 21 -21.074 -6.723 -4.940 153 HD3 LYS 21 HD3 LYS 21 -19.833 -6.891 -6.165 154 HE2 LYS 21 HE2 LYS 21 -21.370 -8.043 -7.387 155 HE3 LYS 21 HE3 LYS 21 -21.124 -9.370 -6.269 156 HZ1 LYS 21 HZ1 LYS 21 -23.054 -7.216 -5.775 157 HZ2 LYS 21 HZ2 LYS 21 -23.449 -8.616 -6.518 158 HZ3 LYS 21 HZ3 LYS 21 -22.924 -8.632 -4.971 159 H ARG 22 H ARG 22 -17.529 -10.777 -3.083 160 HA ARG 22 HA ARG 22 -15.906 -11.972 -3.859 161 HB2 ARG 22 HB2 ARG 22 -16.248 -10.114 -5.792 162 HB3 ARG 22 HB3 ARG 22 -14.608 -9.685 -5.346 163 HG2 ARG 22 HG2 ARG 22 -13.743 -11.814 -5.959 164 HG3 ARG 22 HG3 ARG 22 -15.310 -12.591 -5.860 165 HD2 ARG 22 HD2 ARG 22 -15.936 -10.870 -7.817 166 HD3 ARG 22 HD3 ARG 22 -14.201 -10.834 -8.058 167 HE ARG 22 HE ARG 22 -15.125 -13.565 -7.823 168 HH11 ARG 22 HH22 ARG 22 -15.019 -10.851 -10.060 169 HH12 ARG 22 HH21 ARG 22 -15.086 -11.849 -11.475 170 HH21 ARG 22 HH12 ARG 22 -15.213 -14.882 -9.689 171 HH22 ARG 22 HH11 ARG 22 -15.197 -14.157 -11.262 172 H ARG 23 H ARG 23 -14.326 -12.633 -2.437 173 HA ARG 23 HA ARG 23 -12.973 -10.851 -0.822 174 HB2 ARG 23 HB2 ARG 23 -13.334 -13.600 -0.908 175 HB3 ARG 23 HB3 ARG 23 -11.636 -13.473 -1.321 176 HG2 ARG 23 HG2 ARG 23 -12.031 -11.652 0.835 177 HG3 ARG 23 HG3 ARG 23 -12.929 -13.093 1.270 178 HD2 ARG 23 HD2 ARG 23 -10.255 -13.681 0.120 179 HD3 ARG 23 HD3 ARG 23 -10.183 -12.748 1.602 180 HE ARG 23 HE ARG 23 -11.052 -15.525 1.333 181 HH11 ARG 23 HH22 ARG 23 -11.319 -12.623 3.305 182 HH12 ARG 23 HH21 ARG 23 -11.745 -13.487 4.745 183 HH21 ARG 23 HH12 ARG 23 -11.613 -16.665 3.232 184 HH22 ARG 23 HH11 ARG 23 -11.913 -15.801 4.703 185 H GLY 24 H GLY 24 -11.726 -12.924 -3.553 186 HA2 GLY 24 HA2 GLY 24 -10.273 -12.267 -5.216 187 HA3 GLY 24 HA3 GLY 24 -9.923 -10.781 -4.354 188 H GLY 25 H GLY 25 -7.618 -11.184 -4.727 189 HA2 GLY 25 HA2 GLY 25 -5.734 -11.608 -3.364 190 HA3 GLY 25 HA3 GLY 25 -6.520 -13.032 -2.713 191 H VAL 26 H VAL 26 -7.508 -14.192 -5.170 192 HA VAL 26 HA VAL 26 -5.220 -15.595 -5.966 193 HB VAL 26 HB VAL 26 -8.087 -15.542 -6.518 194 HG11 VAL 26 HG11 VAL 26 -7.914 -16.801 -8.667 195 HG12 VAL 26 HG12 VAL 26 -7.429 -15.094 -8.801 196 HG13 VAL 26 HG13 VAL 26 -6.189 -16.369 -8.739 197 HG21 VAL 26 HG21 VAL 26 -6.622 -18.043 -6.952 198 HG22 VAL 26 HG22 VAL 26 -6.236 -17.269 -5.396 199 HG23 VAL 26 HG23 VAL 26 -7.925 -17.661 -5.801 200 HA PRO 27 HA PRO 27 -5.413 -12.828 -9.796 201 HB2 PRO 27 HB2 PRO 27 -7.065 -10.651 -9.841 202 HB3 PRO 27 HB3 PRO 27 -7.502 -12.199 -10.535 203 HG2 PRO 27 HG2 PRO 27 -8.438 -10.967 -8.016 204 HG3 PRO 27 HG3 PRO 27 -9.156 -12.279 -8.929 205 HD2 PRO 27 HD2 PRO 27 -7.631 -12.504 -6.511 206 HD3 PRO 27 HD3 PRO 27 -8.250 -13.822 -7.486 207 H SER 28 H SER 28 -4.234 -10.922 -10.515 208 HA SER 28 HA SER 28 -3.055 -9.726 -8.141 209 HB2 SER 28 HB2 SER 28 -1.030 -9.616 -9.271 210 HB3 SER 28 HB3 SER 28 -1.723 -11.039 -10.024 211 HG SER 28 HG SER 28 -2.187 -9.904 -11.878 212 H LEU 29 H LEU 29 -4.761 -9.112 -11.199 213 HA LEU 29 HA LEU 29 -4.256 -6.472 -11.631 214 HB2 LEU 29 HB2 LEU 29 -6.760 -6.496 -12.385 215 HB3 LEU 29 HB3 LEU 29 -5.528 -7.385 -13.259 216 HG LEU 29 HG LEU 29 -6.745 -9.008 -11.160 217 HD11 LEU 29 HD11 LEU 29 -8.856 -8.291 -11.345 218 HD12 LEU 29 HD12 LEU 29 -8.523 -7.383 -12.839 219 HD13 LEU 29 HD13 LEU 29 -8.849 -9.131 -12.914 220 HD21 LEU 29 HD21 LEU 29 -7.163 -9.859 -13.910 221 HD22 LEU 29 HD22 LEU 29 -5.477 -9.373 -13.608 222 HD23 LEU 29 HD23 LEU 29 -6.236 -10.627 -12.599 223 H ILE 30 H ILE 30 -6.824 -7.858 -9.466 224 HA ILE 30 HA ILE 30 -7.755 -5.429 -8.531 225 HB ILE 30 HB ILE 30 -8.759 -7.727 -8.299 226 HG12 ILE 30 HG12 ILE 30 -9.600 -5.635 -7.196 227 HG13 ILE 30 HG13 ILE 30 -10.030 -7.128 -6.385 228 HG21 ILE 30 HG21 ILE 30 -7.758 -8.284 -5.674 229 HG22 ILE 30 HG22 ILE 30 -7.750 -9.313 -7.126 230 HG23 ILE 30 HG23 ILE 30 -6.393 -8.203 -6.814 231 HD11 ILE 30 HD11 ILE 30 -9.082 -6.341 -4.489 232 HD12 ILE 30 HD12 ILE 30 -7.502 -6.331 -5.309 233 HD13 ILE 30 HD13 ILE 30 -8.535 -4.881 -5.348 234 H ALA 31 H ALA 31 -4.803 -7.227 -7.802 235 HA ALA 31 HA ALA 31 -4.253 -5.995 -5.329 236 HB1 ALA 31 HB1 ALA 31 -2.338 -7.253 -5.413 237 HB2 ALA 31 HB2 ALA 31 -3.240 -8.092 -6.698 238 HB3 ALA 31 HB3 ALA 31 -2.026 -6.861 -7.121 239 H GLY 32 H GLY 32 -3.160 -5.317 -8.726 240 HA2 GLY 32 HA2 GLY 32 -1.582 -3.095 -8.144 241 HA3 GLY 32 HA3 GLY 32 -2.360 -3.445 -9.675 242 H LEU 33 H LEU 33 -4.988 -3.159 -9.438 243 HA LEU 33 HA LEU 33 -5.469 -0.489 -9.378 244 HB2 LEU 33 HB2 LEU 33 -7.033 -1.880 -10.397 245 HB3 LEU 33 HB3 LEU 33 -7.219 -2.892 -8.978 246 HG LEU 33 HG LEU 33 -8.045 -0.347 -8.139 247 HD11 LEU 33 HD11 LEU 33 -9.669 -0.846 -10.580 248 HD12 LEU 33 HD12 LEU 33 -9.295 0.674 -9.732 249 HD13 LEU 33 HD13 LEU 33 -8.081 -0.072 -10.799 250 HD21 LEU 33 HD21 LEU 33 -9.163 -2.144 -7.234 251 HD22 LEU 33 HD22 LEU 33 -10.374 -1.516 -8.378 252 HD23 LEU 33 HD23 LEU 33 -9.395 -2.939 -8.810 253 H PHE 34 H PHE 34 -6.061 -2.835 -6.668 254 HA PHE 34 HA PHE 34 -7.025 -1.106 -4.819 255 HB2 PHE 34 HB2 PHE 34 -6.674 -3.611 -4.630 256 HB3 PHE 34 HB3 PHE 34 -4.943 -3.356 -4.528 257 HD1 PHE 34 HD2 PHE 34 -3.943 -2.411 -2.497 258 HD2 PHE 34 HD1 PHE 34 -8.106 -3.199 -2.730 259 HE1 PHE 34 HE2 PHE 34 -4.116 -2.236 0.001 260 HE2 PHE 34 HE1 PHE 34 -8.279 -3.023 -0.232 261 HZ PHE 34 HZ PHE 34 -6.282 -2.543 1.104 262 H VAL 35 H VAL 35 -3.519 -1.894 -5.383 263 HA VAL 35 HA VAL 35 -2.504 -0.202 -3.451 264 HB VAL 35 HB VAL 35 -1.359 -1.058 -6.116 265 HG11 VAL 35 HG11 VAL 35 0.584 -0.045 -5.631 266 HG12 VAL 35 HG12 VAL 35 -0.352 0.910 -4.456 267 HG13 VAL 35 HG13 VAL 35 0.523 -0.547 -3.924 268 HG21 VAL 35 HG21 VAL 35 -2.128 -2.719 -4.153 269 HG22 VAL 35 HG22 VAL 35 -0.689 -3.014 -5.156 270 HG23 VAL 35 HG23 VAL 35 -0.513 -2.293 -3.539 271 H GLY 36 H GLY 36 -3.732 0.448 -6.736 272 HA2 GLY 36 HA2 GLY 36 -2.657 3.066 -6.970 273 HA3 GLY 36 HA3 GLY 36 -3.961 2.361 -7.905 274 H CYS 37 H CYS 37 -5.768 1.690 -5.743 275 HA CYS 37 HA CYS 37 -7.034 4.171 -5.459 276 HB2 CYS 37 HB2 CYS 37 -7.587 1.377 -4.774 277 HB3 CYS 37 HB3 CYS 37 -8.199 2.492 -3.569 278 HG CYS 37 HG CYS 37 -10.149 3.079 -4.763 279 H LEU 38 H LEU 38 -5.340 1.961 -3.114 280 HA LEU 38 HA LEU 38 -5.556 3.718 -0.941 281 HB2 LEU 38 HB2 LEU 38 -4.354 2.167 0.221 282 HB3 LEU 38 HB3 LEU 38 -5.054 1.190 -1.054 283 HG LEU 38 HG LEU 38 -2.761 1.706 -2.277 284 HD11 LEU 38 HD11 LEU 38 -1.778 1.724 0.569 285 HD12 LEU 38 HD12 LEU 38 -0.903 2.107 -0.933 286 HD13 LEU 38 HD13 LEU 38 -2.124 3.238 -0.302 287 HD21 LEU 38 HD21 LEU 38 -3.657 -0.514 -1.656 288 HD22 LEU 38 HD22 LEU 38 -1.892 -0.396 -1.455 289 HD23 LEU 38 HD23 LEU 38 -2.957 -0.320 -0.031 290 H ALA 39 H ALA 39 -3.421 3.582 -3.740 291 HA ALA 39 HA ALA 39 -1.269 5.018 -2.658 292 HB1 ALA 39 HB1 ALA 39 -0.763 3.949 -4.650 293 HB2 ALA 39 HB2 ALA 39 -2.330 4.356 -5.391 294 HB3 ALA 39 HB3 ALA 39 -1.065 5.599 -5.245 295 H GLY 40 H GLY 40 -4.030 6.117 -4.761 296 HA2 GLY 40 HA2 GLY 40 -3.424 8.872 -4.414 297 HA3 GLY 40 HA3 GLY 40 -4.879 8.178 -5.101 298 H TYR 41 H TYR 41 -6.297 6.926 -3.306 299 HA TYR 41 HA TYR 41 -7.399 8.799 -1.669 300 HB2 TYR 41 HB2 TYR 41 -8.094 6.371 -2.386 301 HB3 TYR 41 HB3 TYR 41 -7.069 5.795 -1.086 302 HD1 TYR 41 HD2 TYR 41 -9.859 8.260 -1.601 303 HD2 TYR 41 HD1 TYR 41 -8.082 5.317 0.945 304 HE1 TYR 41 HE2 TYR 41 -11.790 8.500 0.036 305 HE2 TYR 41 HE1 TYR 41 -10.018 5.567 2.573 306 HH TYR 41 HH TYR 41 -12.490 6.302 2.329 307 H GLY 42 H GLY 42 -4.779 6.437 -0.877 308 HA2 GLY 42 HA2 GLY 42 -4.624 7.005 1.865 309 HA3 GLY 42 HA3 GLY 42 -3.361 6.319 0.863 310 H ALA 43 H ALA 43 -2.307 8.042 -0.744 311 HA ALA 43 HA ALA 43 -0.807 9.770 0.641 312 HB1 ALA 43 HB1 ALA 43 -0.078 9.678 -1.512 313 HB2 ALA 43 HB2 ALA 43 -1.725 9.525 -2.169 314 HB3 ALA 43 HB3 ALA 43 -1.090 11.127 -1.723 315 H TYR 44 H TYR 44 -3.720 10.885 -1.237 316 HA TYR 44 HA TYR 44 -4.839 12.829 -1.029 317 HB2 TYR 44 HB2 TYR 44 -5.307 10.868 0.975 318 HB3 TYR 44 HB3 TYR 44 -5.172 12.349 1.902 319 HD1 TYR 44 HD1 TYR 44 -6.896 11.073 -1.182 320 HD2 TYR 44 HD2 TYR 44 -7.103 13.582 2.277 321 HE1 TYR 44 HE1 TYR 44 -9.311 11.648 -1.734 322 HE2 TYR 44 HE2 TYR 44 -9.516 14.149 1.713 323 HH TYR 44 HH TYR 44 -10.890 14.211 -0.453 324 H ARG 45 H ARG 45 -3.364 14.545 -1.293 325 HA ARG 45 HA ARG 45 -2.662 16.510 -0.584 326 HB2 ARG 45 HB2 ARG 45 -4.011 15.961 1.643 327 HB3 ARG 45 HB3 ARG 45 -2.427 15.626 2.312 328 HG2 ARG 45 HG2 ARG 45 -1.935 17.839 2.481 329 HG3 ARG 45 HG3 ARG 45 -2.368 18.131 0.808 330 HD2 ARG 45 HD2 ARG 45 -4.482 18.868 1.343 331 HD3 ARG 45 HD3 ARG 45 -4.708 17.647 2.579 332 HE ARG 45 HE ARG 45 -2.755 19.426 3.582 333 HH11 ARG 45 HH22 ARG 45 -6.135 19.562 2.613 334 HH12 ARG 45 HH21 ARG 45 -6.528 20.851 3.702 335 HH21 ARG 45 HH12 ARG 45 -3.273 21.127 5.019 336 HH22 ARG 45 HH11 ARG 45 -4.889 21.747 5.079 337 H VAL 46 H VAL 46 -1.349 13.399 0.074 338 HA VAL 46 HA VAL 46 1.022 13.704 1.267 339 HB VAL 46 HB VAL 46 -0.147 11.743 -0.063 340 HG11 VAL 46 HG11 VAL 46 0.223 12.633 -2.295 341 HG12 VAL 46 HG12 VAL 46 1.978 12.709 -2.007 342 HG13 VAL 46 HG13 VAL 46 1.156 11.132 -2.084 343 HG21 VAL 46 HG21 VAL 46 1.920 10.431 0.159 344 HG22 VAL 46 HG22 VAL 46 2.860 11.934 0.325 345 HG23 VAL 46 HG23 VAL 46 1.668 11.488 1.569 346 H SER 47 H SER 47 0.033 15.072 -1.852 347 HA SER 47 HA SER 47 2.289 15.546 -3.133 348 HB2 SER 47 HB2 SER 47 0.113 16.388 -3.887 349 HB3 SER 47 HB3 SER 47 0.059 17.548 -2.574 350 HG SER 47 HG SER 47 0.764 18.660 -4.414 351 H ASN 48 H ASN 48 4.134 16.883 -2.988 352 HA ASN 48 HA ASN 48 4.419 19.097 -1.484 353 HB2 ASN 48 HB2 ASN 48 4.293 16.788 0.236 354 HB3 ASN 48 HB3 ASN 48 5.960 17.329 0.240 355 HD21 ASN 48 HD21 ASN 48 3.348 17.510 1.983 356 HD22 ASN 48 HD22 ASN 48 3.389 19.126 2.606 357 H ASP 49 H ASP 49 6.331 15.987 -1.390 358 HA ASP 49 HA ASP 49 8.623 17.353 -2.363 359 HB2 ASP 49 HB2 ASP 49 8.097 14.987 -0.919 360 HB3 ASP 49 HB3 ASP 49 8.713 14.408 -2.454 361 H LYS 50 H LYS 50 5.837 16.418 -3.860 362 HA LYS 50 HA LYS 50 5.299 16.181 -6.000 363 HB2 LYS 50 HB2 LYS 50 7.975 17.119 -6.180 364 HB3 LYS 50 HB3 LYS 50 7.823 15.804 -7.328 365 HG2 LYS 50 HG2 LYS 50 5.691 16.890 -8.194 366 HG3 LYS 50 HG3 LYS 50 6.002 18.249 -7.132 367 HD2 LYS 50 HD2 LYS 50 8.076 18.787 -8.281 368 HD3 LYS 50 HD3 LYS 50 8.047 17.282 -9.177 369 HE2 LYS 50 HE2 LYS 50 5.547 18.640 -9.668 370 HE3 LYS 50 HE3 LYS 50 6.837 19.807 -9.884 371 HZ1 LYS 50 HZ1 LYS 50 6.101 18.026 -11.711 372 HZ2 LYS 50 HZ2 LYS 50 7.571 18.736 -11.672 373 HZ3 LYS 50 HZ3 LYS 50 7.367 17.245 -11.039 374 H ARG 51 H ARG 51 5.712 14.027 -4.012 375 HA ARG 51 HA ARG 51 6.867 11.850 -5.330 376 HB2 ARG 51 HB2 ARG 51 5.619 10.513 -3.532 377 HB3 ARG 51 HB3 ARG 51 6.684 11.765 -2.924 378 HG2 ARG 51 HG2 ARG 51 4.163 13.032 -3.377 379 HG3 ARG 51 HG3 ARG 51 3.800 11.503 -2.601 380 HD2 ARG 51 HD2 ARG 51 5.726 13.641 -1.570 381 HD3 ARG 51 HD3 ARG 51 4.164 13.234 -0.886 382 HE ARG 51 HE ARG 51 5.887 10.899 -1.032 383 HH11 ARG 51 HH22 ARG 51 5.232 13.799 0.851 384 HH12 ARG 51 HH21 ARG 51 5.877 13.146 2.319 385 HH21 ARG 51 HH12 ARG 51 6.738 10.037 0.905 386 HH22 ARG 51 HH11 ARG 51 6.740 10.991 2.351 387 H ASP 52 H ASP 52 6.035 10.937 -7.185 388 HA ASP 52 HA ASP 52 3.126 10.781 -7.330 389 HB2 ASP 52 HB2 ASP 52 5.084 11.850 -9.192 390 HB3 ASP 52 HB3 ASP 52 4.292 10.476 -9.936 391 H VAL 53 H VAL 53 6.254 9.376 -8.577 392 HA VAL 53 HA VAL 53 4.940 6.777 -8.791 393 HB VAL 53 HB VAL 53 7.614 7.779 -9.790 394 HG11 VAL 53 HG11 VAL 53 6.407 5.092 -9.650 395 HG12 VAL 53 HG12 VAL 53 7.007 5.547 -11.263 396 HG13 VAL 53 HG13 VAL 53 8.105 5.582 -9.862 397 HG21 VAL 53 HG21 VAL 53 4.893 7.538 -11.061 398 HG22 VAL 53 HG22 VAL 53 6.048 8.891 -11.109 399 HG23 VAL 53 HG23 VAL 53 6.369 7.413 -12.048 400 H LYS 54 H LYS 54 6.767 8.663 -6.614 401 HA LYS 54 HA LYS 54 8.545 6.777 -5.591 402 HB2 LYS 54 HB2 LYS 54 7.315 9.328 -4.641 403 HB3 LYS 54 HB3 LYS 54 8.085 8.304 -3.445 404 HG2 LYS 54 HG2 LYS 54 10.194 8.319 -4.678 405 HG3 LYS 54 HG3 LYS 54 9.450 9.112 -6.052 406 HD2 LYS 54 HD2 LYS 54 9.444 11.195 -5.036 407 HD3 LYS 54 HD3 LYS 54 9.169 10.538 -3.435 408 HE2 LYS 54 HE2 LYS 54 11.378 10.831 -3.003 409 HE3 LYS 54 HE3 LYS 54 11.725 9.562 -4.160 410 HZ1 LYS 54 HZ1 LYS 54 12.515 12.083 -4.417 411 HZ2 LYS 54 HZ2 LYS 54 12.361 11.047 -5.670 412 HZ3 LYS 54 HZ3 LYS 54 11.166 12.109 -5.337 413 H VAL 55 H VAL 55 5.130 7.582 -4.693 414 HA VAL 55 HA VAL 55 5.053 5.553 -2.698 415 HB VAL 55 HB VAL 55 3.727 7.659 -2.708 416 HG11 VAL 55 HG11 VAL 55 3.172 7.426 -5.213 417 HG12 VAL 55 HG12 VAL 55 1.876 6.325 -4.688 418 HG13 VAL 55 HG13 VAL 55 1.889 8.015 -4.129 419 HG21 VAL 55 HG21 VAL 55 1.891 6.729 -1.591 420 HG22 VAL 55 HG22 VAL 55 1.844 5.301 -2.653 421 HG23 VAL 55 HG23 VAL 55 3.146 5.475 -1.452 422 H SER 56 H SER 56 4.289 5.809 -6.176 423 HA SER 56 HA SER 56 2.702 3.624 -6.460 424 HB2 SER 56 HB2 SER 56 3.618 5.405 -8.183 425 HB3 SER 56 HB3 SER 56 4.883 4.228 -8.473 426 HG SER 56 HG SER 56 2.912 4.091 -9.880 427 H LEU 57 H LEU 57 6.329 3.767 -6.785 428 HA LEU 57 HA LEU 57 6.539 0.934 -6.922 429 HB2 LEU 57 HB2 LEU 57 8.112 3.086 -7.596 430 HB3 LEU 57 HB3 LEU 57 8.934 2.454 -6.183 431 HG LEU 57 HG LEU 57 8.410 0.175 -7.693 432 HD11 LEU 57 HD11 LEU 57 9.619 2.080 -9.659 433 HD12 LEU 57 HD12 LEU 57 8.777 0.535 -9.927 434 HD13 LEU 57 HD13 LEU 57 7.847 1.994 -9.510 435 HD21 LEU 57 HD21 LEU 57 10.841 0.171 -8.095 436 HD22 LEU 57 HD22 LEU 57 10.922 1.867 -7.558 437 HD23 LEU 57 HD23 LEU 57 10.431 0.594 -6.415 438 H PHE 58 H PHE 58 7.655 3.344 -4.433 439 HA PHE 58 HA PHE 58 8.484 1.752 -2.491 440 HB2 PHE 58 HB2 PHE 58 8.247 4.241 -2.380 441 HB3 PHE 58 HB3 PHE 58 6.501 4.100 -2.351 442 HD1 PHE 58 HD1 PHE 58 9.573 3.686 -0.394 443 HD2 PHE 58 HD2 PHE 58 5.334 3.503 -0.322 444 HE1 PHE 58 HE1 PHE 58 9.618 3.643 2.115 445 HE2 PHE 58 HE2 PHE 58 5.379 3.460 2.187 446 HZ PHE 58 HZ PHE 58 7.520 3.531 3.376 447 H THR 59 H THR 59 5.022 2.312 -3.333 448 HA THR 59 HA THR 59 4.059 0.742 -1.149 449 HB THR 59 HB THR 59 2.755 1.763 -3.728 450 HG1 THR 59 HG1 THR 59 3.322 3.544 -2.464 451 HG21 THR 59 HG21 THR 59 1.365 1.209 -1.083 452 HG22 THR 59 HG22 THR 59 0.649 1.366 -2.706 453 HG23 THR 59 HG23 THR 59 1.556 -0.103 -2.271 454 H ALA 60 H ALA 60 4.113 0.174 -4.736 455 HA ALA 60 HA ALA 60 3.171 -2.334 -4.814 456 HB1 ALA 60 HB1 ALA 60 3.722 -1.353 -6.865 457 HB2 ALA 60 HB2 ALA 60 5.364 -0.920 -6.331 458 HB3 ALA 60 HB3 ALA 60 4.968 -2.615 -6.705 459 H PHE 61 H PHE 61 6.498 -1.327 -3.846 460 HA PHE 61 HA PHE 61 7.422 -3.979 -3.535 461 HB2 PHE 61 HB2 PHE 61 8.230 -1.141 -3.002 462 HB3 PHE 61 HB3 PHE 61 8.943 -2.285 -1.883 463 HD1 PHE 61 HD2 PHE 61 8.446 -1.793 -5.549 464 HD2 PHE 61 HD1 PHE 61 10.927 -3.322 -2.463 465 HE1 PHE 61 HE2 PHE 61 10.210 -2.355 -7.244 466 HE2 PHE 61 HE1 PHE 61 12.690 -3.884 -4.159 467 HZ PHE 61 HZ PHE 61 12.311 -3.393 -6.530 468 H PHE 62 H PHE 62 6.110 -1.475 -1.277 469 HA PHE 62 HA PHE 62 6.567 -2.895 1.065 470 HB2 PHE 62 HB2 PHE 62 5.761 -0.428 0.504 471 HB3 PHE 62 HB3 PHE 62 4.150 -1.116 0.438 472 HD1 PHE 62 HD2 PHE 62 7.093 -1.310 2.744 473 HD2 PHE 62 HD1 PHE 62 2.898 -0.817 2.337 474 HE1 PHE 62 HE2 PHE 62 6.882 -1.054 5.232 475 HE2 PHE 62 HE1 PHE 62 2.687 -0.561 4.825 476 HZ PHE 62 HZ PHE 62 4.681 -0.683 6.243 477 H LEU 63 H LEU 63 3.412 -2.500 -0.712 478 HA LEU 63 HA LEU 63 2.030 -4.368 0.772 479 HB2 LEU 63 HB2 LEU 63 1.422 -2.611 -1.167 480 HB3 LEU 63 HB3 LEU 63 1.379 -4.088 -2.109 481 HG LEU 63 HG LEU 63 -0.076 -4.564 0.302 482 HD11 LEU 63 HD11 LEU 63 -0.433 -1.840 -0.818 483 HD12 LEU 63 HD12 LEU 63 -1.915 -2.754 -0.450 484 HD13 LEU 63 HD13 LEU 63 -0.710 -2.459 0.827 485 HD21 LEU 63 HD21 LEU 63 -1.594 -5.467 -1.115 486 HD22 LEU 63 HD22 LEU 63 -1.517 -4.102 -2.255 487 HD23 LEU 63 HD23 LEU 63 -0.237 -5.339 -2.260 488 H ALA 64 H ALA 64 4.046 -4.772 -2.191 489 HA ALA 64 HA ALA 64 3.474 -7.367 -2.794 490 HB1 ALA 64 HB1 ALA 64 5.985 -7.375 -3.505 491 HB2 ALA 64 HB2 ALA 64 4.886 -6.197 -4.261 492 HB3 ALA 64 HB3 ALA 64 5.980 -5.683 -2.954 493 H THR 65 H THR 65 5.997 -6.166 -0.468 494 HA THR 65 HA THR 65 6.836 -8.681 0.376 495 HB THR 65 HB THR 65 6.817 -5.882 1.590 496 HG1 THR 65 HG1 THR 65 8.862 -7.773 0.668 497 HG21 THR 65 HG21 THR 65 6.913 -7.663 3.433 498 HG22 THR 65 HG22 THR 65 8.354 -8.320 2.620 499 HG23 THR 65 HG23 THR 65 8.384 -6.671 3.290 500 H ILE 66 H ILE 66 4.302 -6.512 1.787 501 HA ILE 66 HA ILE 66 3.631 -8.081 3.923 502 HB ILE 66 HB ILE 66 1.909 -6.329 2.170 503 HG12 ILE 66 HG12 ILE 66 3.141 -5.704 4.863 504 HG13 ILE 66 HG13 ILE 66 3.943 -5.346 3.346 505 HG21 ILE 66 HG21 ILE 66 0.992 -8.176 4.033 506 HG22 ILE 66 HG22 ILE 66 1.029 -6.636 4.926 507 HG23 ILE 66 HG23 ILE 66 0.111 -6.762 3.406 508 HD11 ILE 66 HD11 ILE 66 1.458 -4.293 2.837 509 HD12 ILE 66 HD12 ILE 66 1.578 -4.037 4.595 510 HD13 ILE 66 HD13 ILE 66 2.815 -3.357 3.510 511 H MET 67 H MET 67 1.906 -8.089 0.719 512 HA MET 67 HA MET 67 0.327 -10.213 1.174 513 HB2 MET 67 HB2 MET 67 1.349 -8.722 -1.099 514 HB3 MET 67 HB3 MET 67 1.358 -10.420 -1.532 515 HG2 MET 67 HG2 MET 67 -0.954 -10.599 -1.466 516 HG3 MET 67 HG3 MET 67 -1.115 -9.465 -0.139 517 HE1 MET 67 HE1 MET 67 0.504 -9.370 -3.773 518 HE2 MET 67 HE2 MET 67 -1.128 -10.071 -3.875 519 HE3 MET 67 HE3 MET 67 -0.794 -8.486 -4.611 520 H GLY 68 H GLY 68 3.455 -10.480 -0.676 521 HA2 GLY 68 HA2 GLY 68 4.940 -12.157 -0.845 522 HA3 GLY 68 HA3 GLY 68 4.503 -12.611 0.790 523 H VAL 69 H VAL 69 2.776 -12.628 -2.418 524 HA VAL 69 HA VAL 69 1.105 -14.683 -2.027 525 HB VAL 69 HB VAL 69 2.749 -14.053 -4.485 526 HG11 VAL 69 HG11 VAL 69 1.906 -15.982 -5.286 527 HG12 VAL 69 HG12 VAL 69 0.698 -16.110 -3.984 528 HG13 VAL 69 HG13 VAL 69 0.375 -15.081 -5.400 529 HG21 VAL 69 HG21 VAL 69 1.481 -12.231 -4.673 530 HG22 VAL 69 HG22 VAL 69 0.016 -13.241 -4.681 531 HG23 VAL 69 HG23 VAL 69 0.668 -12.632 -3.141 532 H ARG 70 H ARG 70 4.635 -14.839 -2.328 533 HA ARG 70 HA ARG 70 4.384 -17.698 -1.866 534 HB2 ARG 70 HB2 ARG 70 5.451 -16.552 -4.191 535 HB3 ARG 70 HB3 ARG 70 6.883 -16.872 -3.233 536 HG2 ARG 70 HG2 ARG 70 6.118 -19.247 -2.914 537 HG3 ARG 70 HG3 ARG 70 4.717 -18.918 -3.914 538 HD2 ARG 70 HD2 ARG 70 5.938 -19.344 -5.778 539 HD3 ARG 70 HD3 ARG 70 7.012 -18.016 -5.388 540 HE ARG 70 HE ARG 70 7.724 -20.236 -3.738 541 HH11 ARG 70 HH22 ARG 70 7.796 -19.283 -7.124 542 HH12 ARG 70 HH21 ARG 70 9.165 -20.274 -7.506 543 HH21 ARG 70 HH12 ARG 70 9.530 -21.543 -4.241 544 HH22 ARG 70 HH11 ARG 70 10.158 -21.568 -5.855 545 H PHE 71 H PHE 71 6.551 -18.603 -0.891 546 HA PHE 71 HA PHE 71 7.068 -17.583 1.505 547 HB2 PHE 71 HB2 PHE 71 7.971 -19.693 0.279 548 HB3 PHE 71 HB3 PHE 71 9.201 -18.665 -0.429 549 HD1 PHE 71 HD2 PHE 71 7.958 -20.079 2.742 550 HD2 PHE 71 HD1 PHE 71 11.121 -18.006 0.818 551 HE1 PHE 71 HE2 PHE 71 9.421 -20.448 4.749 552 HE2 PHE 71 HE1 PHE 71 12.583 -18.375 2.824 553 HZ PHE 71 HZ PHE 71 11.716 -19.592 4.765 554 H LYS 72 H LYS 72 9.281 -16.930 -1.314 555 HA LYS 72 HA LYS 72 10.215 -14.568 0.121 556 HB2 LYS 72 HB2 LYS 72 11.391 -16.496 -1.753 557 HB3 LYS 72 HB3 LYS 72 11.751 -14.832 -2.166 558 HG2 LYS 72 HG2 LYS 72 13.102 -14.541 -0.343 559 HG3 LYS 72 HG3 LYS 72 11.980 -15.348 0.735 560 HD2 LYS 72 HD2 LYS 72 13.199 -17.260 0.667 561 HD3 LYS 72 HD3 LYS 72 13.094 -17.316 -1.082 562 HE2 LYS 72 HE2 LYS 72 14.964 -15.436 -0.993 563 HE3 LYS 72 HE3 LYS 72 15.224 -16.015 0.641 564 HZ1 LYS 72 HZ1 LYS 72 15.295 -17.689 -1.774 565 HZ2 LYS 72 HZ2 LYS 72 16.599 -17.169 -0.939 566 HZ3 LYS 72 HZ3 LYS 72 15.553 -18.218 -0.250 567 H ARG 73 H ARG 73 10.288 -12.479 -0.912 568 HA ARG 73 HA ARG 73 7.951 -11.914 -2.271 569 HB2 ARG 73 HB2 ARG 73 9.358 -10.316 -0.861 570 HB3 ARG 73 HB3 ARG 73 10.495 -10.216 -2.191 571 HG2 ARG 73 HG2 ARG 73 8.836 -9.222 -3.658 572 HG3 ARG 73 HG3 ARG 73 7.533 -9.585 -2.543 573 HD2 ARG 73 HD2 ARG 73 7.888 -7.661 -1.380 574 HD3 ARG 73 HD3 ARG 73 9.592 -8.021 -1.181 575 HE ARG 73 HE ARG 73 8.414 -6.270 -3.190 576 HH11 ARG 73 HH22 ARG 73 11.155 -8.370 -2.513 577 HH12 ARG 73 HH21 ARG 73 12.211 -7.563 -3.623 578 HH21 ARG 73 HH12 ARG 73 9.807 -5.205 -4.655 579 HH22 ARG 73 HH11 ARG 73 11.439 -5.751 -4.850 580 H SER 74 H SER 74 11.405 -12.101 -3.379 581 HA SER 74 HA SER 74 12.286 -12.512 -5.322 582 HB2 SER 74 HB2 SER 74 10.559 -14.330 -5.506 583 HB3 SER 74 HB3 SER 74 9.484 -13.205 -6.312 584 HG SER 74 HG SER 74 10.741 -14.593 -7.781 585 H LYS 75 H LYS 75 8.999 -11.197 -6.200 586 HA LYS 75 HA LYS 75 8.419 -9.232 -7.071 587 HB2 LYS 75 HB2 LYS 75 10.475 -8.384 -5.686 588 HB3 LYS 75 HB3 LYS 75 11.265 -8.272 -7.246 589 HG2 LYS 75 HG2 LYS 75 8.892 -7.074 -7.870 590 HG3 LYS 75 HG3 LYS 75 8.961 -6.687 -6.162 591 HD2 LYS 75 HD2 LYS 75 10.356 -4.976 -6.683 592 HD3 LYS 75 HD3 LYS 75 11.578 -6.170 -7.075 593 HE2 LYS 75 HE2 LYS 75 9.615 -5.833 -9.255 594 HE3 LYS 75 HE3 LYS 75 10.429 -4.332 -8.862 595 HZ1 LYS 75 HZ1 LYS 75 11.646 -6.866 -9.674 596 HZ2 LYS 75 HZ2 LYS 75 11.782 -5.403 -10.387 597 HZ3 LYS 75 HZ3 LYS 75 12.526 -5.689 -8.962 598 H LYS 76 H LYS 76 8.772 -11.600 -8.551 599 HA LYS 76 HA LYS 76 9.802 -10.524 -11.084 600 HB2 LYS 76 HB2 LYS 76 10.152 -13.139 -9.749 601 HB3 LYS 76 HB3 LYS 76 9.754 -13.232 -11.453 602 HG2 LYS 76 HG2 LYS 76 11.705 -12.110 -12.121 603 HG3 LYS 76 HG3 LYS 76 11.856 -11.239 -10.608 604 HD2 LYS 76 HD2 LYS 76 13.037 -12.929 -9.594 605 HD3 LYS 76 HD3 LYS 76 12.052 -14.189 -10.310 606 HE2 LYS 76 HE2 LYS 76 13.405 -14.387 -12.183 607 HE3 LYS 76 HE3 LYS 76 13.796 -12.679 -12.219 608 HZ1 LYS 76 HZ1 LYS 76 14.798 -14.119 -9.944 609 HZ2 LYS 76 HZ2 LYS 76 15.460 -14.539 -11.377 610 HZ3 LYS 76 HZ3 LYS 76 15.530 -12.989 -10.868 611 H ILE 77 H ILE 77 7.698 -13.347 -10.263 612 HA ILE 77 HA ILE 77 5.677 -12.131 -12.012 613 HB ILE 77 HB ILE 77 6.757 -14.221 -12.806 614 HG12 ILE 77 HG12 ILE 77 4.012 -15.152 -12.435 615 HG13 ILE 77 HG13 ILE 77 4.080 -13.453 -12.862 616 HG21 ILE 77 HG21 ILE 77 7.007 -15.207 -10.492 617 HG22 ILE 77 HG22 ILE 77 5.275 -15.610 -10.566 618 HG23 ILE 77 HG23 ILE 77 6.403 -16.313 -11.750 619 HD11 ILE 77 HD11 ILE 77 5.056 -13.859 -14.939 620 HD12 ILE 77 HD12 ILE 77 5.855 -15.351 -14.389 621 HD13 ILE 77 HD13 ILE 77 4.110 -15.354 -14.743 622 H MET 78 H MET 78 6.491 -13.235 -8.798 623 HA MET 78 HA MET 78 4.162 -14.021 -7.750 624 HB2 MET 78 HB2 MET 78 6.643 -12.820 -6.834 625 HB3 MET 78 HB3 MET 78 5.333 -12.083 -5.933 626 HG2 MET 78 HG2 MET 78 5.981 -14.033 -4.676 627 HG3 MET 78 HG3 MET 78 4.461 -14.445 -5.444 628 HE1 MET 78 HE1 MET 78 4.681 -16.541 -7.930 629 HE2 MET 78 HE2 MET 78 5.028 -17.609 -6.549 630 HE3 MET 78 HE3 MET 78 3.989 -16.180 -6.330 631 HA PRO 79 HA PRO 79 2.765 -9.510 -7.290 632 HB2 PRO 79 HB2 PRO 79 4.159 -7.511 -8.526 633 HB3 PRO 79 HB3 PRO 79 4.398 -7.949 -6.847 634 HG2 PRO 79 HG2 PRO 79 6.120 -8.533 -9.178 635 HG3 PRO 79 HG3 PRO 79 6.527 -8.578 -7.474 636 HD2 PRO 79 HD2 PRO 79 6.009 -10.828 -9.175 637 HD3 PRO 79 HD3 PRO 79 6.301 -10.866 -7.448 638 H ALA 80 H ALA 80 4.191 -8.456 -10.281 639 HA ALA 80 HA ALA 80 3.379 -8.344 -12.342 640 HB1 ALA 80 HB1 ALA 80 2.763 -10.839 -11.724 641 HB2 ALA 80 HB2 ALA 80 1.098 -10.209 -11.714 642 HB3 ALA 80 HB3 ALA 80 2.088 -10.085 -13.188 643 H GLY 81 H GLY 81 0.530 -8.756 -10.112 644 HA2 GLY 81 HA2 GLY 81 -0.962 -6.712 -11.445 645 HA3 GLY 81 HA3 GLY 81 -1.375 -7.546 -9.960 646 H LEU 82 H LEU 82 0.999 -6.956 -8.417 647 HA LEU 82 HA LEU 82 0.277 -4.477 -7.377 648 HB2 LEU 82 HB2 LEU 82 2.183 -6.584 -6.850 649 HB3 LEU 82 HB3 LEU 82 2.919 -5.013 -6.600 650 HG LEU 82 HG LEU 82 0.236 -5.596 -5.379 651 HD11 LEU 82 HD11 LEU 82 2.799 -6.894 -4.677 652 HD12 LEU 82 HD12 LEU 82 1.889 -6.190 -3.320 653 HD13 LEU 82 HD13 LEU 82 1.121 -7.404 -4.371 654 HD21 LEU 82 HD21 LEU 82 2.450 -4.047 -4.087 655 HD22 LEU 82 HD22 LEU 82 1.544 -3.316 -5.434 656 HD23 LEU 82 HD23 LEU 82 0.685 -3.843 -3.967 657 H VAL 83 H VAL 83 3.309 -5.376 -9.178 658 HA VAL 83 HA VAL 83 4.209 -2.775 -9.467 659 HB VAL 83 HB VAL 83 4.622 -5.271 -11.115 660 HG11 VAL 83 HG11 VAL 83 6.370 -2.801 -11.211 661 HG12 VAL 83 HG12 VAL 83 6.415 -4.235 -12.266 662 HG13 VAL 83 HG13 VAL 83 5.053 -3.093 -12.373 663 HG21 VAL 83 HG21 VAL 83 6.979 -4.625 -9.803 664 HG22 VAL 83 HG22 VAL 83 5.719 -4.227 -8.610 665 HG23 VAL 83 HG23 VAL 83 5.802 -5.864 -9.304 666 H ALA 84 H ALA 84 2.313 -4.827 -11.791 667 HA ALA 84 HA ALA 84 2.052 -2.983 -13.795 668 HB1 ALA 84 HB1 ALA 84 1.363 -5.309 -14.002 669 HB2 ALA 84 HB2 ALA 84 0.089 -5.077 -12.780 670 HB3 ALA 84 HB3 ALA 84 -0.029 -4.258 -14.356 671 H GLY 85 H GLY 85 0.503 -3.105 -10.605 672 HA2 GLY 85 HA2 GLY 85 -1.620 -1.305 -11.188 673 HA3 GLY 85 HA3 GLY 85 -1.020 -1.772 -9.609 674 H LEU 86 H LEU 86 1.613 -0.932 -9.558 675 HA LEU 86 HA LEU 86 1.394 1.751 -8.992 676 HB2 LEU 86 HB2 LEU 86 3.534 1.599 -8.332 677 HB3 LEU 86 HB3 LEU 86 3.179 -0.114 -8.445 678 HG LEU 86 HG LEU 86 4.106 0.167 -10.906 679 HD11 LEU 86 HD11 LEU 86 4.362 2.564 -10.895 680 HD12 LEU 86 HD12 LEU 86 5.395 2.488 -9.447 681 HD13 LEU 86 HD13 LEU 86 5.968 1.802 -10.986 682 HD21 LEU 86 HD21 LEU 86 5.284 -0.524 -8.344 683 HD22 LEU 86 HD22 LEU 86 5.476 -1.292 -9.938 684 HD23 LEU 86 HD23 LEU 86 6.504 0.089 -9.485 685 H SER 87 H SER 87 2.475 0.100 -12.010 686 HA SER 87 HA SER 87 3.297 2.399 -13.302 687 HB2 SER 87 HB2 SER 87 2.929 -0.386 -13.916 688 HB3 SER 87 HB3 SER 87 2.169 0.535 -15.199 689 HG SER 87 HG SER 87 4.655 -0.004 -15.193 690 H LEU 88 H LEU 88 0.172 0.550 -13.631 691 HA LEU 88 HA LEU 88 -1.106 2.292 -15.312 692 HB2 LEU 88 HB2 LEU 88 -1.748 0.040 -13.686 693 HB3 LEU 88 HB3 LEU 88 -2.990 1.252 -13.445 694 HG LEU 88 HG LEU 88 -2.113 0.260 -16.169 695 HD11 LEU 88 HD11 LEU 88 -3.815 -0.995 -14.173 696 HD12 LEU 88 HD12 LEU 88 -4.687 -0.680 -15.692 697 HD13 LEU 88 HD13 LEU 88 -3.185 -1.634 -15.710 698 HD21 LEU 88 HD21 LEU 88 -4.599 1.194 -16.544 699 HD22 LEU 88 HD22 LEU 88 -4.093 2.257 -15.209 700 HD23 LEU 88 HD23 LEU 88 -3.142 2.203 -16.713 701 H MET 89 H MET 89 -0.397 2.586 -11.849 702 HA MET 89 HA MET 89 -2.280 4.573 -11.317 703 HB2 MET 89 HB2 MET 89 -0.785 3.083 -9.730 704 HB3 MET 89 HB3 MET 89 0.448 4.306 -9.965 705 HG2 MET 89 HG2 MET 89 -1.906 5.771 -9.367 706 HG3 MET 89 HG3 MET 89 -1.951 4.400 -8.278 707 HE1 MET 89 HE1 MET 89 0.284 6.855 -9.975 708 HE2 MET 89 HE2 MET 89 -0.198 8.003 -8.703 709 HE3 MET 89 HE3 MET 89 1.471 7.389 -8.761 710 H MET 90 H MET 90 1.337 4.922 -11.600 711 HA MET 90 HA MET 90 1.423 7.610 -11.670 712 HB2 MET 90 HB2 MET 90 3.569 7.257 -13.016 713 HB3 MET 90 HB3 MET 90 3.447 6.232 -11.600 714 HG2 MET 90 HG2 MET 90 2.846 4.301 -12.910 715 HG3 MET 90 HG3 MET 90 2.485 5.270 -14.325 716 HE1 MET 90 HE1 MET 90 5.264 7.267 -14.665 717 HE2 MET 90 HE2 MET 90 5.628 6.115 -15.973 718 HE3 MET 90 HE3 MET 90 3.939 6.541 -15.606 719 H ILE 91 H ILE 91 0.409 5.394 -14.256 720 HA ILE 91 HA ILE 91 0.542 7.415 -16.287 721 HB ILE 91 HB ILE 91 -0.298 4.556 -16.112 722 HG12 ILE 91 HG12 ILE 91 1.455 5.895 -18.172 723 HG13 ILE 91 HG13 ILE 91 2.076 5.467 -16.590 724 HG21 ILE 91 HG21 ILE 91 -1.095 4.643 -18.453 725 HG22 ILE 91 HG22 ILE 91 -2.142 5.538 -17.326 726 HG23 ILE 91 HG23 ILE 91 -1.020 6.421 -18.389 727 HD11 ILE 91 HD11 ILE 91 2.358 3.709 -18.456 728 HD12 ILE 91 HD12 ILE 91 1.657 3.130 -16.925 729 HD13 ILE 91 HD13 ILE 91 0.602 3.445 -18.324 730 H LEU 92 H LEU 92 -1.822 6.126 -13.964 731 HA LEU 92 HA LEU 92 -4.064 7.317 -15.247 732 HB2 LEU 92 HB2 LEU 92 -4.933 5.733 -13.971 733 HB3 LEU 92 HB3 LEU 92 -3.506 5.634 -12.959 734 HG LEU 92 HG LEU 92 -5.521 7.849 -12.595 735 HD11 LEU 92 HD11 LEU 92 -7.054 6.531 -11.674 736 HD12 LEU 92 HD12 LEU 92 -6.169 5.146 -12.359 737 HD13 LEU 92 HD13 LEU 92 -5.836 5.680 -10.694 738 HD21 LEU 92 HD21 LEU 92 -4.489 8.285 -10.605 739 HD22 LEU 92 HD22 LEU 92 -3.938 6.607 -10.388 740 HD23 LEU 92 HD23 LEU 92 -3.101 7.676 -11.538 741 H ARG 93 H ARG 93 -1.470 8.434 -13.186 742 HA ARG 93 HA ARG 93 -3.009 10.701 -12.331 743 HB2 ARG 93 HB2 ARG 93 -0.500 9.376 -11.534 744 HB3 ARG 93 HB3 ARG 93 -0.299 11.114 -11.626 745 HG2 ARG 93 HG2 ARG 93 -2.835 10.574 -10.345 746 HG3 ARG 93 HG3 ARG 93 -1.615 9.580 -9.573 747 HD2 ARG 93 HD2 ARG 93 -0.976 11.416 -8.396 748 HD3 ARG 93 HD3 ARG 93 -0.346 12.082 -9.889 749 HE ARG 93 HE ARG 93 -3.182 12.539 -9.779 750 HH11 ARG 93 HH22 ARG 93 -0.182 13.634 -8.301 751 HH12 ARG 93 HH21 ARG 93 -0.795 15.209 -7.921 752 HH21 ARG 93 HH12 ARG 93 -3.991 14.616 -9.278 753 HH22 ARG 93 HH11 ARG 93 -2.976 15.771 -8.480 754 H LEU 94 H LEU 94 -0.127 9.903 -14.377 755 HA LEU 94 HA LEU 94 0.423 12.552 -15.119 756 HB2 LEU 94 HB2 LEU 94 1.719 10.219 -15.316 757 HB3 LEU 94 HB3 LEU 94 1.081 10.303 -16.946 758 HG LEU 94 HG LEU 94 2.116 12.820 -16.670 759 HD11 LEU 94 HD11 LEU 94 4.352 11.239 -15.523 760 HD12 LEU 94 HD12 LEU 94 3.941 12.961 -15.340 761 HD13 LEU 94 HD13 LEU 94 3.058 11.730 -14.405 762 HD21 LEU 94 HD21 LEU 94 2.748 10.378 -18.069 763 HD22 LEU 94 HD22 LEU 94 2.950 12.070 -18.584 764 HD23 LEU 94 HD23 LEU 94 4.237 11.262 -17.657 765 H VAL 95 H VAL 95 -2.186 10.439 -15.883 766 HA VAL 95 HA VAL 95 -2.652 11.410 -18.522 767 HB VAL 95 HB VAL 95 -4.060 9.690 -16.526 768 HG11 VAL 95 HG11 VAL 95 -5.834 11.167 -17.371 769 HG12 VAL 95 HG12 VAL 95 -5.371 10.772 -19.044 770 HG13 VAL 95 HG13 VAL 95 -6.028 9.505 -17.981 771 HG21 VAL 95 HG21 VAL 95 -3.809 8.995 -19.410 772 HG22 VAL 95 HG22 VAL 95 -2.298 9.109 -18.476 773 HG23 VAL 95 HG23 VAL 95 -3.581 7.988 -17.960 774 H LEU 96 H LEU 96 -4.544 11.798 -15.437 775 HA LEU 96 HA LEU 96 -6.056 13.926 -16.408 776 HB2 LEU 96 HB2 LEU 96 -6.992 13.996 -14.333 777 HB3 LEU 96 HB3 LEU 96 -6.383 12.354 -14.385 778 HG LEU 96 HG LEU 96 -4.312 13.962 -13.285 779 HD11 LEU 96 HD11 LEU 96 -5.756 15.721 -12.700 780 HD12 LEU 96 HD12 LEU 96 -7.051 14.609 -12.196 781 HD13 LEU 96 HD13 LEU 96 -5.573 14.756 -11.216 782 HD21 LEU 96 HD21 LEU 96 -5.103 11.500 -12.914 783 HD22 LEU 96 HD22 LEU 96 -4.325 12.399 -11.590 784 HD23 LEU 96 HD23 LEU 96 -6.095 12.214 -11.621 785 H LEU 97 H LEU 97 -2.800 13.741 -15.012 786 HA LEU 97 HA LEU 97 -1.372 15.346 -14.375 787 HB2 LEU 97 HB2 LEU 97 -1.450 15.132 -16.958 788 HB3 LEU 97 HB3 LEU 97 -2.173 16.727 -16.917 789 HG LEU 97 HG LEU 97 0.475 16.126 -15.588 790 HD11 LEU 97 HD11 LEU 97 1.579 16.124 -17.517 791 HD12 LEU 97 HD12 LEU 97 0.007 15.931 -18.331 792 HD13 LEU 97 HD13 LEU 97 0.699 17.556 -18.105 793 HD21 LEU 97 HD21 LEU 97 -0.572 18.150 -14.806 794 HD22 LEU 97 HD22 LEU 97 0.802 18.573 -15.856 795 HD23 LEU 97 HD23 LEU 97 -0.863 18.696 -16.475 796 H LEU 98 H LEU 98 -3.441 15.761 -12.775 797 HA LEU 98 HA LEU 98 -4.820 17.243 -11.807 798 HB2 LEU 98 HB2 LEU 98 -2.695 19.305 -12.028 799 HB3 LEU 98 HB3 LEU 98 -3.616 18.774 -10.635 800 HG LEU 98 HG LEU 98 -2.144 16.531 -11.160 801 HD11 LEU 98 HD11 LEU 98 -0.556 18.913 -12.099 802 HD12 LEU 98 HD12 LEU 98 0.235 17.474 -11.412 803 HD13 LEU 98 HD13 LEU 98 -0.771 17.325 -12.873 804 HD21 LEU 98 HD21 LEU 98 -1.074 18.771 -9.443 805 HD22 LEU 98 HD22 LEU 98 -2.534 17.850 -9.011 806 HD23 LEU 98 HD23 LEU 98 -0.973 17.013 -9.181 807 H LEU 99 H LEU 99 -5.517 17.074 -14.492 808 HA LEU 99 HA LEU 99 -5.458 19.225 -16.083 809 HB2 LEU 99 HB2 LEU 99 -7.046 18.168 -17.213 810 HB3 LEU 99 HB3 LEU 99 -6.837 16.904 -16.017 811 HG LEU 99 HG LEU 99 -8.692 18.379 -14.738 812 HD11 LEU 99 HD11 LEU 99 -9.514 18.712 -17.624 813 HD12 LEU 99 HD12 LEU 99 -10.280 19.378 -16.162 814 HD13 LEU 99 HD13 LEU 99 -8.700 19.997 -16.700 815 HD21 LEU 99 HD21 LEU 99 -10.261 16.726 -15.315 816 HD22 LEU 99 HD22 LEU 99 -9.519 16.453 -16.910 817 HD23 LEU 99 HD23 LEU 99 -8.675 15.926 -15.434 Start of MODEL 7 1 H MET 1 H1 MET 1 -17.416 19.715 14.690 2 HA MET 1 HA MET 1 -18.426 17.501 15.720 3 HB2 MET 1 HB2 MET 1 -18.659 17.935 18.197 4 HB3 MET 1 HB3 MET 1 -16.985 17.720 17.726 5 HG2 MET 1 HG2 MET 1 -16.548 20.099 17.808 6 HG3 MET 1 HG3 MET 1 -18.255 20.486 17.887 7 HE1 MET 1 HE1 MET 1 -15.459 20.995 19.914 8 HE2 MET 1 HE2 MET 1 -15.472 19.883 21.304 9 HE3 MET 1 HE3 MET 1 -15.117 19.265 19.672 10 H ASP 2 H ASP 2 -20.713 17.697 16.264 11 HA ASP 2 HA ASP 2 -22.678 18.604 16.167 12 HB2 ASP 2 HB2 ASP 2 -21.051 20.685 17.472 13 HB3 ASP 2 HB3 ASP 2 -22.407 21.379 16.606 14 H LEU 3 H LEU 3 -20.895 21.636 15.278 15 HA LEU 3 HA LEU 3 -22.391 22.438 13.212 16 HB2 LEU 3 HB2 LEU 3 -19.557 22.741 13.978 17 HB3 LEU 3 HB3 LEU 3 -19.924 23.123 12.308 18 HG LEU 3 HG LEU 3 -21.919 24.480 13.596 19 HD11 LEU 3 HD11 LEU 3 -20.329 25.744 15.363 20 HD12 LEU 3 HD12 LEU 3 -21.427 24.412 15.800 21 HD13 LEU 3 HD13 LEU 3 -19.699 24.087 15.523 22 HD21 LEU 3 HD21 LEU 3 -20.991 25.896 12.150 23 HD22 LEU 3 HD22 LEU 3 -19.867 26.341 13.456 24 HD23 LEU 3 HD23 LEU 3 -19.402 25.102 12.266 25 H ILE 4 H ILE 4 -19.629 20.100 12.984 26 HA ILE 4 HA ILE 4 -19.525 19.661 10.346 27 HB ILE 4 HB ILE 4 -18.023 18.480 11.608 28 HG12 ILE 4 HG12 ILE 4 -19.814 16.127 11.176 29 HG13 ILE 4 HG13 ILE 4 -19.405 17.107 9.782 30 HG21 ILE 4 HG21 ILE 4 -19.272 16.659 13.278 31 HG22 ILE 4 HG22 ILE 4 -18.520 18.198 13.762 32 HG23 ILE 4 HG23 ILE 4 -20.269 18.125 13.437 33 HD11 ILE 4 HD11 ILE 4 -17.837 15.083 10.578 34 HD12 ILE 4 HD12 ILE 4 -17.146 16.564 9.873 35 HD13 ILE 4 HD13 ILE 4 -17.163 16.343 11.639 36 H GLY 5 H GLY 5 -21.291 17.091 12.103 37 HA2 GLY 5 HA2 GLY 5 -23.330 16.180 11.765 38 HA3 GLY 5 HA3 GLY 5 -23.812 17.613 10.878 39 H PHE 6 H PHE 6 -22.761 17.855 8.593 40 HA PHE 6 HA PHE 6 -23.571 15.787 7.012 41 HB2 PHE 6 HB2 PHE 6 -22.621 18.335 6.698 42 HB3 PHE 6 HB3 PHE 6 -21.162 17.473 6.251 43 HD1 PHE 6 HD2 PHE 6 -24.821 17.201 5.510 44 HD2 PHE 6 HD1 PHE 6 -20.857 17.183 3.996 45 HE1 PHE 6 HE2 PHE 6 -25.711 16.899 3.183 46 HE2 PHE 6 HE1 PHE 6 -21.747 16.881 1.668 47 HZ PHE 6 HZ PHE 6 -24.164 16.743 1.290 48 H GLY 7 H GLY 7 -20.162 16.563 8.016 49 HA2 GLY 7 HA2 GLY 7 -18.843 14.535 6.724 50 HA3 GLY 7 HA3 GLY 7 -18.366 15.230 8.261 51 H TYR 8 H TYR 8 -20.641 14.435 9.861 52 HA TYR 8 HA TYR 8 -19.821 11.882 10.624 53 HB2 TYR 8 HB2 TYR 8 -21.188 13.883 11.759 54 HB3 TYR 8 HB3 TYR 8 -22.593 13.130 11.030 55 HD1 TYR 8 HD1 TYR 8 -19.661 12.245 13.200 56 HD2 TYR 8 HD2 TYR 8 -23.774 11.542 12.256 57 HE1 TYR 8 HE1 TYR 8 -19.855 10.671 15.187 58 HE2 TYR 8 HE2 TYR 8 -23.955 9.970 14.246 59 HH TYR 8 HH TYR 8 -22.658 8.687 15.647 60 H ALA 9 H ALA 9 -22.891 12.932 8.974 61 HA ALA 9 HA ALA 9 -23.747 10.271 8.562 62 HB1 ALA 9 HB1 ALA 9 -25.090 11.823 6.714 63 HB2 ALA 9 HB2 ALA 9 -25.578 11.596 8.411 64 HB3 ALA 9 HB3 ALA 9 -24.620 13.022 7.944 65 H ALA 10 H ALA 10 -21.468 12.393 6.961 66 HA ALA 10 HA ALA 10 -21.653 11.306 4.374 67 HB1 ALA 10 HB1 ALA 10 -20.581 13.486 5.055 68 HB2 ALA 10 HB2 ALA 10 -19.238 12.546 5.747 69 HB3 ALA 10 HB3 ALA 10 -19.568 12.472 3.999 70 H LEU 11 H LEU 11 -19.155 10.758 6.966 71 HA LEU 11 HA LEU 11 -17.988 8.585 5.682 72 HB2 LEU 11 HB2 LEU 11 -16.767 8.275 7.648 73 HB3 LEU 11 HB3 LEU 11 -17.042 10.001 7.516 74 HG LEU 11 HG LEU 11 -19.085 9.516 9.102 75 HD11 LEU 11 HD11 LEU 11 -17.556 7.491 10.497 76 HD12 LEU 11 HD12 LEU 11 -19.274 7.510 10.035 77 HD13 LEU 11 HD13 LEU 11 -18.049 6.928 8.883 78 HD21 LEU 11 HD21 LEU 11 -17.737 10.078 10.999 79 HD22 LEU 11 HD22 LEU 11 -16.270 9.447 10.214 80 HD23 LEU 11 HD23 LEU 11 -17.064 10.907 9.576 81 H VAL 12 H VAL 12 -20.695 8.812 8.046 82 HA VAL 12 HA VAL 12 -20.984 6.121 8.570 83 HB VAL 12 HB VAL 12 -22.835 8.480 8.498 84 HG11 VAL 12 HG11 VAL 12 -24.425 6.873 7.947 85 HG12 VAL 12 HG12 VAL 12 -23.592 5.586 8.853 86 HG13 VAL 12 HG13 VAL 12 -24.472 6.863 9.727 87 HG21 VAL 12 HG21 VAL 12 -21.875 6.689 10.756 88 HG22 VAL 12 HG22 VAL 12 -21.181 8.269 10.322 89 HG23 VAL 12 HG23 VAL 12 -22.855 8.166 10.919 90 H THR 13 H THR 13 -22.452 8.123 5.926 91 HA THR 13 HA THR 13 -23.847 5.984 4.752 92 HB THR 13 HB THR 13 -22.827 8.686 3.741 93 HG1 THR 13 HG1 THR 13 -25.018 9.194 4.306 94 HG21 THR 13 HG21 THR 13 -25.121 7.136 2.505 95 HG22 THR 13 HG22 THR 13 -24.147 8.447 1.797 96 HG23 THR 13 HG23 THR 13 -23.463 6.811 1.946 97 H PHE 14 H PHE 14 -20.479 7.116 4.472 98 HA PHE 14 HA PHE 14 -19.878 5.700 2.135 99 HB2 PHE 14 HB2 PHE 14 -18.648 7.554 3.660 100 HB3 PHE 14 HB3 PHE 14 -17.963 6.159 4.469 101 HD1 PHE 14 HD1 PHE 14 -17.104 4.309 2.612 102 HD2 PHE 14 HD2 PHE 14 -17.272 8.518 2.097 103 HE1 PHE 14 HE1 PHE 14 -15.319 4.165 0.854 104 HE2 PHE 14 HE2 PHE 14 -15.487 8.374 0.339 105 HZ PHE 14 HZ PHE 14 -14.532 6.199 -0.262 106 H GLY 15 H GLY 15 -19.394 4.878 5.642 107 HA2 GLY 15 HA2 GLY 15 -18.300 2.317 5.139 108 HA3 GLY 15 HA3 GLY 15 -18.946 2.917 6.653 109 H SER 16 H SER 16 -21.605 3.609 5.267 110 HA SER 16 HA SER 16 -22.831 1.155 5.851 111 HB2 SER 16 HB2 SER 16 -23.622 3.848 5.558 112 HB3 SER 16 HB3 SER 16 -24.489 3.004 4.291 113 HG SER 16 HG SER 16 -25.132 3.103 6.873 114 H ILE 17 H ILE 17 -22.320 3.046 2.791 115 HA ILE 17 HA ILE 17 -23.504 1.097 1.139 116 HB ILE 17 HB ILE 17 -21.600 3.369 0.572 117 HG12 ILE 17 HG12 ILE 17 -23.831 3.950 1.537 118 HG13 ILE 17 HG13 ILE 17 -23.526 4.625 -0.051 119 HG21 ILE 17 HG21 ILE 17 -23.012 2.816 -1.757 120 HG22 ILE 17 HG22 ILE 17 -21.296 2.468 -1.440 121 HG23 ILE 17 HG23 ILE 17 -22.526 1.214 -1.152 122 HD11 ILE 17 HD11 ILE 17 -25.253 3.477 -0.989 123 HD12 ILE 17 HD12 ILE 17 -24.773 1.956 -0.198 124 HD13 ILE 17 HD13 ILE 17 -25.771 3.139 0.680 125 H PHE 18 H PHE 18 -20.004 2.019 1.523 126 HA PHE 18 HA PHE 18 -18.942 -0.036 0.098 127 HB2 PHE 18 HB2 PHE 18 -18.058 2.063 1.634 128 HB3 PHE 18 HB3 PHE 18 -17.712 0.760 2.754 129 HD1 PHE 18 HD2 PHE 18 -17.215 1.542 -0.869 130 HD2 PHE 18 HD1 PHE 18 -15.606 -0.161 2.670 131 HE1 PHE 18 HE2 PHE 18 -15.060 1.080 -2.071 132 HE2 PHE 18 HE1 PHE 18 -13.451 -0.622 1.468 133 HZ PHE 18 HZ PHE 18 -13.204 0.004 -0.888 134 H GLY 19 H GLY 19 -19.849 -0.014 3.605 135 HA2 GLY 19 HA2 GLY 19 -20.071 -1.685 5.094 136 HA3 GLY 19 HA3 GLY 19 -20.686 -2.626 3.750 137 H TYR 20 H TYR 20 -17.425 -1.331 4.735 138 HA TYR 20 HA TYR 20 -15.406 -2.285 4.567 139 HB2 TYR 20 HB2 TYR 20 -17.312 -3.893 6.215 140 HB3 TYR 20 HB3 TYR 20 -15.930 -4.838 5.698 141 HD1 TYR 20 HD2 TYR 20 -16.836 -1.646 7.420 142 HD2 TYR 20 HD1 TYR 20 -13.890 -4.697 6.860 143 HE1 TYR 20 HE2 TYR 20 -15.449 -0.664 9.311 144 HE2 TYR 20 HE1 TYR 20 -12.513 -3.705 8.753 145 HH TYR 20 HH TYR 20 -12.615 -0.881 9.764 146 H LYS 21 H LYS 21 -15.009 -2.569 2.342 147 HA LYS 21 HA LYS 21 -16.122 -4.536 0.762 148 HB2 LYS 21 HB2 LYS 21 -14.546 -2.436 0.294 149 HB3 LYS 21 HB3 LYS 21 -13.301 -3.669 0.279 150 HG2 LYS 21 HG2 LYS 21 -13.951 -4.398 -1.769 151 HG3 LYS 21 HG3 LYS 21 -15.601 -4.623 -1.223 152 HD2 LYS 21 HD2 LYS 21 -15.645 -1.931 -1.414 153 HD3 LYS 21 HD3 LYS 21 -14.349 -2.228 -2.556 154 HE2 LYS 21 HE2 LYS 21 -16.009 -4.052 -3.549 155 HE3 LYS 21 HE3 LYS 21 -17.237 -3.139 -2.696 156 HZ1 LYS 21 HZ1 LYS 21 -17.136 -2.117 -4.722 157 HZ2 LYS 21 HZ2 LYS 21 -16.145 -1.153 -3.853 158 HZ3 LYS 21 HZ3 LYS 21 -15.516 -2.261 -4.876 159 H ARG 22 H ARG 22 -14.720 -6.378 -0.296 160 HA ARG 22 HA ARG 22 -13.849 -7.964 1.950 161 HB2 ARG 22 HB2 ARG 22 -14.025 -9.880 0.345 162 HB3 ARG 22 HB3 ARG 22 -15.520 -8.970 0.438 163 HG2 ARG 22 HG2 ARG 22 -15.434 -8.525 -1.782 164 HG3 ARG 22 HG3 ARG 22 -13.869 -7.758 -1.600 165 HD2 ARG 22 HD2 ARG 22 -12.753 -9.578 -2.422 166 HD3 ARG 22 HD3 ARG 22 -13.678 -10.699 -1.444 167 HE ARG 22 HE ARG 22 -15.138 -11.042 -3.245 168 HH11 ARG 22 HH22 ARG 22 -13.246 -8.132 -3.822 169 HH12 ARG 22 HH21 ARG 22 -13.812 -7.933 -5.448 170 HH21 ARG 22 HH12 ARG 22 -15.884 -10.780 -5.389 171 HH22 ARG 22 HH11 ARG 22 -15.323 -9.449 -6.344 172 H ARG 23 H ARG 23 -11.719 -8.743 2.173 173 HA ARG 23 HA ARG 23 -9.763 -7.360 0.719 174 HB2 ARG 23 HB2 ARG 23 -9.859 -8.658 3.162 175 HB3 ARG 23 HB3 ARG 23 -8.931 -9.807 2.219 176 HG2 ARG 23 HG2 ARG 23 -7.569 -7.654 1.453 177 HG3 ARG 23 HG3 ARG 23 -8.258 -6.932 2.893 178 HD2 ARG 23 HD2 ARG 23 -6.739 -9.584 2.911 179 HD3 ARG 23 HD3 ARG 23 -5.979 -8.037 3.228 180 HE ARG 23 HE ARG 23 -8.303 -8.342 4.909 181 HH11 ARG 23 HH22 ARG 23 -4.996 -9.488 4.546 182 HH12 ARG 23 HH21 ARG 23 -4.797 -9.838 6.231 183 HH21 ARG 23 HH12 ARG 23 -8.040 -8.803 7.132 184 HH22 ARG 23 HH11 ARG 23 -6.540 -9.446 7.711 185 H GLY 24 H GLY 24 -7.829 -9.710 0.654 186 HA2 GLY 24 HA2 GLY 24 -8.972 -11.297 -1.549 187 HA3 GLY 24 HA3 GLY 24 -7.481 -10.409 -1.792 188 H GLY 25 H GLY 25 -6.068 -12.171 -2.025 189 HA2 GLY 25 HA2 GLY 25 -4.716 -13.206 0.040 190 HA3 GLY 25 HA3 GLY 25 -6.087 -14.294 -0.046 191 H VAL 26 H VAL 26 -6.573 -15.324 -2.227 192 HA VAL 26 HA VAL 26 -4.209 -16.468 -3.244 193 HB VAL 26 HB VAL 26 -7.102 -16.720 -3.551 194 HG11 VAL 26 HG11 VAL 26 -6.925 -17.921 -5.763 195 HG12 VAL 26 HG12 VAL 26 -6.765 -16.150 -5.850 196 HG13 VAL 26 HG13 VAL 26 -5.318 -17.181 -5.959 197 HG21 VAL 26 HG21 VAL 26 -4.914 -18.278 -2.741 198 HG22 VAL 26 HG22 VAL 26 -6.616 -18.785 -2.853 199 HG23 VAL 26 HG23 VAL 26 -5.515 -19.055 -4.225 200 HA PRO 27 HA PRO 27 -5.049 -13.602 -6.910 201 HB2 PRO 27 HB2 PRO 27 -6.925 -11.624 -6.712 202 HB3 PRO 27 HB3 PRO 27 -7.252 -13.186 -7.437 203 HG2 PRO 27 HG2 PRO 27 -8.084 -12.160 -4.792 204 HG3 PRO 27 HG3 PRO 27 -8.735 -13.510 -5.701 205 HD2 PRO 27 HD2 PRO 27 -6.981 -13.652 -3.435 206 HD3 PRO 27 HD3 PRO 27 -7.539 -14.994 -4.414 207 H SER 28 H SER 28 -3.377 -12.299 -7.316 208 HA SER 28 HA SER 28 -2.802 -10.475 -5.128 209 HB2 SER 28 HB2 SER 28 -1.084 -11.756 -7.279 210 HB3 SER 28 HB3 SER 28 -0.509 -10.365 -6.381 211 HG SER 28 HG SER 28 -0.334 -12.892 -5.626 212 H LEU 29 H LEU 29 -3.465 -10.741 -8.622 213 HA LEU 29 HA LEU 29 -2.643 -8.271 -9.490 214 HB2 LEU 29 HB2 LEU 29 -4.626 -8.569 -11.117 215 HB3 LEU 29 HB3 LEU 29 -3.276 -9.686 -11.160 216 HG LEU 29 HG LEU 29 -5.320 -10.656 -9.349 217 HD11 LEU 29 HD11 LEU 29 -6.564 -9.172 -11.196 218 HD12 LEU 29 HD12 LEU 29 -6.385 -10.679 -12.126 219 HD13 LEU 29 HD13 LEU 29 -7.235 -10.695 -10.562 220 HD21 LEU 29 HD21 LEU 29 -5.223 -12.503 -11.270 221 HD22 LEU 29 HD22 LEU 29 -3.732 -11.620 -11.677 222 HD23 LEU 29 HD23 LEU 29 -3.938 -12.318 -10.052 223 H ILE 30 H ILE 30 -5.857 -9.204 -8.084 224 HA ILE 30 HA ILE 30 -6.921 -6.628 -8.186 225 HB ILE 30 HB ILE 30 -8.605 -7.472 -6.689 226 HG12 ILE 30 HG12 ILE 30 -8.144 -10.045 -6.036 227 HG13 ILE 30 HG13 ILE 30 -6.497 -9.449 -5.974 228 HG21 ILE 30 HG21 ILE 30 -8.535 -9.945 -8.068 229 HG22 ILE 30 HG22 ILE 30 -9.443 -8.471 -8.480 230 HG23 ILE 30 HG23 ILE 30 -7.809 -8.723 -9.139 231 HD11 ILE 30 HD11 ILE 30 -7.157 -8.934 -3.812 232 HD12 ILE 30 HD12 ILE 30 -7.660 -7.430 -4.621 233 HD13 ILE 30 HD13 ILE 30 -8.859 -8.699 -4.275 234 H ALA 31 H ALA 31 -4.545 -8.126 -6.079 235 HA ALA 31 HA ALA 31 -4.908 -6.436 -3.854 236 HB1 ALA 31 HB1 ALA 31 -3.475 -8.698 -4.409 237 HB2 ALA 31 HB2 ALA 31 -2.187 -7.470 -4.444 238 HB3 ALA 31 HB3 ALA 31 -3.195 -7.662 -2.989 239 H GLY 32 H GLY 32 -2.472 -6.390 -6.558 240 HA2 GLY 32 HA2 GLY 32 -1.307 -3.946 -5.859 241 HA3 GLY 32 HA3 GLY 32 -1.275 -4.706 -7.438 242 H LEU 33 H LEU 33 -4.042 -4.757 -8.099 243 HA LEU 33 HA LEU 33 -4.396 -2.271 -9.202 244 HB2 LEU 33 HB2 LEU 33 -5.540 -4.091 -10.118 245 HB3 LEU 33 HB3 LEU 33 -6.257 -4.545 -8.585 246 HG LEU 33 HG LEU 33 -7.260 -1.993 -9.001 247 HD11 LEU 33 HD11 LEU 33 -8.246 -2.719 -11.467 248 HD12 LEU 33 HD12 LEU 33 -6.990 -1.495 -11.161 249 HD13 LEU 33 HD13 LEU 33 -6.525 -3.160 -11.585 250 HD21 LEU 33 HD21 LEU 33 -8.863 -4.271 -10.034 251 HD22 LEU 33 HD22 LEU 33 -8.252 -4.403 -8.368 252 HD23 LEU 33 HD23 LEU 33 -9.271 -3.020 -8.835 253 H PHE 34 H PHE 34 -6.077 -3.618 -6.271 254 HA PHE 34 HA PHE 34 -7.411 -1.303 -5.610 255 HB2 PHE 34 HB2 PHE 34 -7.458 -3.774 -4.689 256 HB3 PHE 34 HB3 PHE 34 -6.116 -3.297 -3.668 257 HD1 PHE 34 HD2 PHE 34 -9.675 -2.627 -4.408 258 HD2 PHE 34 HD1 PHE 34 -6.473 -2.055 -1.682 259 HE1 PHE 34 HE2 PHE 34 -11.288 -1.748 -2.697 260 HE2 PHE 34 HE1 PHE 34 -8.087 -1.175 0.028 261 HZ PHE 34 HZ PHE 34 -10.475 -1.033 -0.500 262 H VAL 35 H VAL 35 -4.064 -2.367 -4.815 263 HA VAL 35 HA VAL 35 -3.534 -0.375 -2.932 264 HB VAL 35 HB VAL 35 -1.935 -2.188 -4.691 265 HG11 VAL 35 HG11 VAL 35 -0.705 -0.044 -4.723 266 HG12 VAL 35 HG12 VAL 35 -0.706 -0.029 -2.943 267 HG13 VAL 35 HG13 VAL 35 0.168 -1.307 -3.822 268 HG21 VAL 35 HG21 VAL 35 -2.896 -3.070 -2.626 269 HG22 VAL 35 HG22 VAL 35 -1.121 -3.016 -2.513 270 HG23 VAL 35 HG23 VAL 35 -2.103 -1.784 -1.685 271 H GLY 36 H GLY 36 -3.519 -0.421 -6.501 272 HA2 GLY 36 HA2 GLY 36 -2.110 2.036 -6.819 273 HA3 GLY 36 HA3 GLY 36 -3.058 1.183 -8.022 274 H CYS 37 H CYS 37 -5.598 1.069 -6.691 275 HA CYS 37 HA CYS 37 -6.620 3.548 -7.402 276 HB2 CYS 37 HB2 CYS 37 -7.679 1.072 -6.845 277 HB3 CYS 37 HB3 CYS 37 -8.234 2.006 -5.469 278 HG CYS 37 HG CYS 37 -9.828 1.775 -7.796 279 H LEU 38 H LEU 38 -5.893 2.042 -4.177 280 HA LEU 38 HA LEU 38 -6.686 4.327 -2.713 281 HB2 LEU 38 HB2 LEU 38 -6.147 3.122 -0.860 282 HB3 LEU 38 HB3 LEU 38 -6.465 1.845 -2.017 283 HG LEU 38 HG LEU 38 -3.883 1.903 -2.424 284 HD11 LEU 38 HD11 LEU 38 -3.957 4.004 -0.702 285 HD12 LEU 38 HD12 LEU 38 -3.571 2.668 0.409 286 HD13 LEU 38 HD13 LEU 38 -2.527 2.986 -0.997 287 HD21 LEU 38 HD21 LEU 38 -4.717 0.785 0.242 288 HD22 LEU 38 HD22 LEU 38 -5.385 0.137 -1.275 289 HD23 LEU 38 HD23 LEU 38 -3.629 0.095 -0.986 290 H ALA 39 H ALA 39 -3.697 3.273 -4.320 291 HA ALA 39 HA ALA 39 -1.905 4.929 -2.991 292 HB1 ALA 39 HB1 ALA 39 -0.612 4.701 -5.182 293 HB2 ALA 39 HB2 ALA 39 -1.105 3.175 -4.408 294 HB3 ALA 39 HB3 ALA 39 -2.012 3.797 -5.808 295 H GLY 40 H GLY 40 -4.063 5.510 -5.828 296 HA2 GLY 40 HA2 GLY 40 -3.109 8.151 -6.308 297 HA3 GLY 40 HA3 GLY 40 -4.558 7.404 -6.951 298 H TYR 41 H TYR 41 -6.252 6.891 -4.959 299 HA TYR 41 HA TYR 41 -7.363 9.272 -4.262 300 HB2 TYR 41 HB2 TYR 41 -8.061 6.702 -4.074 301 HB3 TYR 41 HB3 TYR 41 -7.332 6.773 -2.482 302 HD1 TYR 41 HD2 TYR 41 -10.063 8.139 -4.591 303 HD2 TYR 41 HD1 TYR 41 -8.471 7.787 -0.636 304 HE1 TYR 41 HE2 TYR 41 -12.237 9.038 -3.629 305 HE2 TYR 41 HE1 TYR 41 -10.651 8.688 0.314 306 HH TYR 41 HH TYR 41 -12.886 8.933 -0.237 307 H GLY 42 H GLY 42 -4.721 7.511 -2.637 308 HA2 GLY 42 HA2 GLY 42 -4.848 9.218 -0.288 309 HA3 GLY 42 HA3 GLY 42 -3.739 7.897 -0.597 310 H ALA 43 H ALA 43 -2.902 8.772 -3.285 311 HA ALA 43 HA ALA 43 -0.741 10.357 -2.591 312 HB1 ALA 43 HB1 ALA 43 -0.279 9.323 -4.556 313 HB2 ALA 43 HB2 ALA 43 -1.992 9.263 -5.036 314 HB3 ALA 43 HB3 ALA 43 -1.045 10.747 -5.301 315 H TYR 44 H TYR 44 -4.041 11.187 -3.680 316 HA TYR 44 HA TYR 44 -3.562 13.846 -4.368 317 HB2 TYR 44 HB2 TYR 44 -5.628 12.357 -4.738 318 HB3 TYR 44 HB3 TYR 44 -5.969 12.465 -3.023 319 HD1 TYR 44 HD1 TYR 44 -6.259 14.907 -2.064 320 HD2 TYR 44 HD2 TYR 44 -6.622 13.881 -6.201 321 HE1 TYR 44 HE1 TYR 44 -7.625 17.013 -2.474 322 HE2 TYR 44 HE2 TYR 44 -7.985 15.989 -6.598 323 HH TYR 44 HH TYR 44 -8.755 17.819 -5.745 324 H ARG 45 H ARG 45 -3.714 12.227 -1.241 325 HA ARG 45 HA ARG 45 -3.840 14.848 0.013 326 HB2 ARG 45 HB2 ARG 45 -5.234 12.438 0.580 327 HB3 ARG 45 HB3 ARG 45 -4.047 12.574 1.862 328 HG2 ARG 45 HG2 ARG 45 -5.331 14.138 2.880 329 HG3 ARG 45 HG3 ARG 45 -5.130 15.198 1.499 330 HD2 ARG 45 HD2 ARG 45 -7.030 13.597 0.445 331 HD3 ARG 45 HD3 ARG 45 -7.401 13.315 2.134 332 HE ARG 45 HE ARG 45 -7.108 16.128 1.776 333 HH11 ARG 45 HH22 ARG 45 -9.275 13.531 0.805 334 HH12 ARG 45 HH21 ARG 45 -10.657 14.566 0.660 335 HH21 ARG 45 HH12 ARG 45 -8.930 17.493 1.586 336 HH22 ARG 45 HH11 ARG 45 -10.459 16.835 1.107 337 H VAL 46 H VAL 46 -1.791 12.234 -0.855 338 HA VAL 46 HA VAL 46 -0.058 12.298 1.403 339 HB VAL 46 HB VAL 46 -0.521 10.569 -0.616 340 HG11 VAL 46 HG11 VAL 46 0.689 12.186 -2.182 341 HG12 VAL 46 HG12 VAL 46 2.183 11.725 -1.331 342 HG13 VAL 46 HG13 VAL 46 1.237 10.493 -2.199 343 HG21 VAL 46 HG21 VAL 46 0.627 9.348 0.853 344 HG22 VAL 46 HG22 VAL 46 2.142 10.036 0.221 345 HG23 VAL 46 HG23 VAL 46 1.309 10.822 1.583 346 H SER 47 H SER 47 -0.638 14.366 -1.315 347 HA SER 47 HA SER 47 1.687 15.296 -2.122 348 HB2 SER 47 HB2 SER 47 -0.457 16.259 -2.819 349 HB3 SER 47 HB3 SER 47 -0.713 16.951 -1.229 350 HG SER 47 HG SER 47 0.928 18.448 -1.565 351 H ASN 48 H ASN 48 3.383 16.670 -1.396 352 HA ASN 48 HA ASN 48 4.528 17.942 -0.011 353 HB2 ASN 48 HB2 ASN 48 2.154 18.583 1.006 354 HB3 ASN 48 HB3 ASN 48 2.602 17.489 2.300 355 HD21 ASN 48 HD21 ASN 48 2.151 20.110 2.817 356 HD22 ASN 48 HD22 ASN 48 3.615 20.934 3.240 357 H ASP 49 H ASP 49 2.737 15.305 1.763 358 HA ASP 49 HA ASP 49 4.986 14.634 3.312 359 HB2 ASP 49 HB2 ASP 49 2.504 14.221 3.849 360 HB3 ASP 49 HB3 ASP 49 2.551 12.901 2.698 361 H LYS 50 H LYS 50 4.092 14.111 0.044 362 HA LYS 50 HA LYS 50 6.291 12.565 -0.574 363 HB2 LYS 50 HB2 LYS 50 4.086 10.990 0.470 364 HB3 LYS 50 HB3 LYS 50 4.437 10.546 -1.188 365 HG2 LYS 50 HG2 LYS 50 6.702 9.981 -0.693 366 HG3 LYS 50 HG3 LYS 50 6.701 10.888 0.806 367 HD2 LYS 50 HD2 LYS 50 5.693 9.189 2.003 368 HD3 LYS 50 HD3 LYS 50 4.670 8.705 0.665 369 HE2 LYS 50 HE2 LYS 50 6.307 7.307 -0.274 370 HE3 LYS 50 HE3 LYS 50 7.638 8.222 0.406 371 HZ1 LYS 50 HZ1 LYS 50 7.624 6.497 1.817 372 HZ2 LYS 50 HZ2 LYS 50 6.502 7.381 2.609 373 HZ3 LYS 50 HZ3 LYS 50 6.037 6.161 1.628 374 H ARG 51 H ARG 51 6.648 12.791 -2.747 375 HA ARG 51 HA ARG 51 5.316 14.522 -4.219 376 HB2 ARG 51 HB2 ARG 51 6.103 12.952 -6.251 377 HB3 ARG 51 HB3 ARG 51 7.274 13.794 -5.256 378 HG2 ARG 51 HG2 ARG 51 6.593 11.293 -3.956 379 HG3 ARG 51 HG3 ARG 51 6.984 10.960 -5.632 380 HD2 ARG 51 HD2 ARG 51 8.733 12.398 -3.586 381 HD3 ARG 51 HD3 ARG 51 9.055 10.858 -4.357 382 HE ARG 51 HE ARG 51 8.723 13.015 -6.296 383 HH11 ARG 51 HH22 ARG 51 11.018 11.454 -4.132 384 HH12 ARG 51 HH21 ARG 51 12.408 11.971 -5.027 385 HH21 ARG 51 HH12 ARG 51 10.557 13.697 -7.477 386 HH22 ARG 51 HH11 ARG 51 12.144 13.256 -6.942 387 H ASP 52 H ASP 52 4.970 10.996 -5.042 388 HA ASP 52 HA ASP 52 2.303 10.755 -4.670 389 HB2 ASP 52 HB2 ASP 52 1.827 12.499 -6.269 390 HB3 ASP 52 HB3 ASP 52 3.012 11.885 -7.405 391 H VAL 53 H VAL 53 5.141 10.224 -6.795 392 HA VAL 53 HA VAL 53 4.222 7.570 -7.523 393 HB VAL 53 HB VAL 53 6.812 8.974 -8.195 394 HG11 VAL 53 HG11 VAL 53 6.183 6.353 -8.543 395 HG12 VAL 53 HG12 VAL 53 5.567 7.041 -10.065 396 HG13 VAL 53 HG13 VAL 53 7.273 7.269 -9.611 397 HG21 VAL 53 HG21 VAL 53 5.767 10.301 -9.655 398 HG22 VAL 53 HG22 VAL 53 4.870 8.929 -10.347 399 HG23 VAL 53 HG23 VAL 53 4.225 9.789 -8.929 400 H LYS 54 H LYS 54 5.972 9.152 -5.007 401 HA LYS 54 HA LYS 54 7.915 7.240 -4.437 402 HB2 LYS 54 HB2 LYS 54 7.599 9.630 -3.529 403 HB3 LYS 54 HB3 LYS 54 6.493 8.921 -2.370 404 HG2 LYS 54 HG2 LYS 54 8.199 7.557 -1.389 405 HG3 LYS 54 HG3 LYS 54 9.272 7.755 -2.761 406 HD2 LYS 54 HD2 LYS 54 9.026 10.368 -2.057 407 HD3 LYS 54 HD3 LYS 54 8.716 9.645 -0.491 408 HE2 LYS 54 HE2 LYS 54 10.906 9.085 -0.209 409 HE3 LYS 54 HE3 LYS 54 10.998 8.344 -1.795 410 HZ1 LYS 54 HZ1 LYS 54 11.961 10.147 -2.587 411 HZ2 LYS 54 HZ2 LYS 54 10.828 11.155 -1.980 412 HZ3 LYS 54 HZ3 LYS 54 12.102 10.709 -1.061 413 H VAL 55 H VAL 55 4.470 7.553 -3.388 414 HA VAL 55 HA VAL 55 4.588 5.237 -1.757 415 HB VAL 55 HB VAL 55 3.027 7.101 -1.427 416 HG11 VAL 55 HG11 VAL 55 1.432 7.780 -2.917 417 HG12 VAL 55 HG12 VAL 55 2.644 7.175 -4.072 418 HG13 VAL 55 HG13 VAL 55 1.248 6.161 -3.634 419 HG21 VAL 55 HG21 VAL 55 1.363 4.659 -2.035 420 HG22 VAL 55 HG22 VAL 55 2.584 4.640 -0.741 421 HG23 VAL 55 HG23 VAL 55 1.236 5.800 -0.675 422 H SER 56 H SER 56 3.775 5.938 -5.174 423 HA SER 56 HA SER 56 2.494 3.642 -5.822 424 HB2 SER 56 HB2 SER 56 3.328 5.804 -7.208 425 HB3 SER 56 HB3 SER 56 4.558 4.679 -7.746 426 HG SER 56 HG SER 56 3.089 3.989 -9.137 427 H LEU 57 H LEU 57 6.076 4.281 -6.021 428 HA LEU 57 HA LEU 57 6.633 1.544 -6.584 429 HB2 LEU 57 HB2 LEU 57 7.906 3.832 -7.101 430 HB3 LEU 57 HB3 LEU 57 8.732 3.413 -5.613 431 HG LEU 57 HG LEU 57 8.492 1.357 -7.789 432 HD11 LEU 57 HD11 LEU 57 9.583 2.611 -9.263 433 HD12 LEU 57 HD12 LEU 57 9.821 3.915 -8.075 434 HD13 LEU 57 HD13 LEU 57 10.983 2.569 -8.164 435 HD21 LEU 57 HD21 LEU 57 11.017 1.262 -6.647 436 HD22 LEU 57 HD22 LEU 57 9.951 1.691 -5.288 437 HD23 LEU 57 HD23 LEU 57 9.628 0.225 -6.244 438 H PHE 58 H PHE 58 7.488 3.684 -3.768 439 HA PHE 58 HA PHE 58 8.509 1.944 -2.066 440 HB2 PHE 58 HB2 PHE 58 7.949 4.358 -1.627 441 HB3 PHE 58 HB3 PHE 58 6.241 3.967 -1.581 442 HD1 PHE 58 HD2 PHE 58 5.507 2.258 0.248 443 HD2 PHE 58 HD1 PHE 58 9.163 4.410 0.351 444 HE1 PHE 58 HE2 PHE 58 5.660 1.879 2.724 445 HE2 PHE 58 HE1 PHE 58 9.316 4.031 2.828 446 HZ PHE 58 HZ PHE 58 7.563 2.770 3.985 447 H THR 59 H THR 59 5.022 2.145 -2.924 448 HA THR 59 HA THR 59 4.271 0.179 -0.975 449 HB THR 59 HB THR 59 2.818 1.404 -3.380 450 HG1 THR 59 HG1 THR 59 1.912 2.583 -1.374 451 HG21 THR 59 HG21 THR 59 1.845 -0.132 -0.916 452 HG22 THR 59 HG22 THR 59 0.781 0.858 -1.943 453 HG23 THR 59 HG23 THR 59 1.587 -0.578 -2.620 454 H ALA 60 H ALA 60 4.311 0.170 -4.607 455 HA ALA 60 HA ALA 60 3.698 -2.396 -5.064 456 HB1 ALA 60 HB1 ALA 60 4.515 -0.388 -6.600 457 HB2 ALA 60 HB2 ALA 60 6.070 -1.250 -6.514 458 HB3 ALA 60 HB3 ALA 60 4.631 -2.074 -7.161 459 H PHE 61 H PHE 61 6.940 -1.140 -4.061 460 HA PHE 61 HA PHE 61 8.138 -3.700 -4.099 461 HB2 PHE 61 HB2 PHE 61 8.875 -1.001 -3.893 462 HB3 PHE 61 HB3 PHE 61 9.145 -1.557 -2.253 463 HD1 PHE 61 HD2 PHE 61 10.288 -4.125 -2.391 464 HD2 PHE 61 HD1 PHE 61 10.825 -0.902 -5.099 465 HE1 PHE 61 HE2 PHE 61 12.509 -5.071 -3.077 466 HE2 PHE 61 HE1 PHE 61 13.047 -1.848 -5.785 467 HZ PHE 61 HZ PHE 61 13.862 -3.922 -4.766 468 H PHE 62 H PHE 62 6.666 -1.624 -1.534 469 HA PHE 62 HA PHE 62 7.405 -3.153 0.642 470 HB2 PHE 62 HB2 PHE 62 6.352 -0.891 0.719 471 HB3 PHE 62 HB3 PHE 62 4.901 -1.505 -0.048 472 HD1 PHE 62 HD2 PHE 62 6.939 -1.798 3.044 473 HD2 PHE 62 HD1 PHE 62 3.130 -2.323 1.246 474 HE1 PHE 62 HE2 PHE 62 5.936 -2.248 5.300 475 HE2 PHE 62 HE1 PHE 62 2.128 -2.773 3.503 476 HZ PHE 62 HZ PHE 62 3.542 -2.731 5.503 477 H LEU 63 H LEU 63 4.166 -3.174 -1.026 478 HA LEU 63 HA LEU 63 3.199 -5.386 0.316 479 HB2 LEU 63 HB2 LEU 63 2.080 -3.622 -1.235 480 HB3 LEU 63 HB3 LEU 63 2.451 -4.755 -2.520 481 HG LEU 63 HG LEU 63 1.200 -6.194 -0.374 482 HD11 LEU 63 HD11 LEU 63 -1.074 -4.798 -0.970 483 HD12 LEU 63 HD12 LEU 63 -0.122 -4.624 0.524 484 HD13 LEU 63 HD13 LEU 63 0.129 -3.493 -0.828 485 HD21 LEU 63 HD21 LEU 63 1.318 -6.434 -3.023 486 HD22 LEU 63 HD22 LEU 63 -0.004 -7.136 -2.059 487 HD23 LEU 63 HD23 LEU 63 -0.246 -5.591 -2.909 488 H ALA 64 H ALA 64 4.969 -5.167 -2.835 489 HA ALA 64 HA ALA 64 4.865 -7.780 -3.587 490 HB1 ALA 64 HB1 ALA 64 7.258 -7.220 -4.504 491 HB2 ALA 64 HB2 ALA 64 5.860 -6.288 -5.091 492 HB3 ALA 64 HB3 ALA 64 6.934 -5.596 -3.852 493 H THR 65 H THR 65 7.018 -6.226 -1.146 494 HA THR 65 HA THR 65 8.471 -8.639 -0.656 495 HB THR 65 HB THR 65 8.280 -5.843 0.506 496 HG1 THR 65 HG1 THR 65 10.200 -5.838 -0.625 497 HG21 THR 65 HG21 THR 65 9.839 -6.371 2.255 498 HG22 THR 65 HG22 THR 65 8.578 -7.617 2.405 499 HG23 THR 65 HG23 THR 65 10.124 -8.006 1.613 500 H ILE 66 H ILE 66 5.643 -6.993 0.817 501 HA ILE 66 HA ILE 66 5.491 -8.534 3.110 502 HB ILE 66 HB ILE 66 3.439 -7.098 1.444 503 HG12 ILE 66 HG12 ILE 66 5.128 -5.741 2.616 504 HG13 ILE 66 HG13 ILE 66 3.507 -5.459 3.217 505 HG21 ILE 66 HG21 ILE 66 2.183 -8.846 2.465 506 HG22 ILE 66 HG22 ILE 66 3.013 -8.622 4.024 507 HG23 ILE 66 HG23 ILE 66 1.906 -7.367 3.416 508 HD11 ILE 66 HD11 ILE 66 4.013 -7.192 5.053 509 HD12 ILE 66 HD12 ILE 66 5.709 -7.105 4.523 510 HD13 ILE 66 HD13 ILE 66 4.901 -5.654 5.161 511 H MET 67 H MET 67 3.737 -9.022 -0.041 512 HA MET 67 HA MET 67 2.800 -11.539 0.759 513 HB2 MET 67 HB2 MET 67 2.264 -9.720 -1.276 514 HB3 MET 67 HB3 MET 67 3.113 -10.967 -2.169 515 HG2 MET 67 HG2 MET 67 1.439 -12.557 -0.721 516 HG3 MET 67 HG3 MET 67 0.458 -11.106 -0.768 517 HE1 MET 67 HE1 MET 67 2.990 -12.919 -2.823 518 HE2 MET 67 HE2 MET 67 1.770 -14.169 -3.165 519 HE3 MET 67 HE3 MET 67 2.303 -13.069 -4.458 520 H GLY 68 H GLY 68 5.343 -10.552 -1.653 521 HA2 GLY 68 HA2 GLY 68 7.475 -11.818 -1.321 522 HA3 GLY 68 HA3 GLY 68 6.490 -13.266 -1.379 523 H VAL 69 H VAL 69 6.196 -10.227 -3.331 524 HA VAL 69 HA VAL 69 5.941 -11.763 -5.719 525 HB VAL 69 HB VAL 69 6.167 -8.797 -5.177 526 HG11 VAL 69 HG11 VAL 69 5.858 -10.347 -7.727 527 HG12 VAL 69 HG12 VAL 69 5.003 -8.796 -7.549 528 HG13 VAL 69 HG13 VAL 69 6.776 -8.857 -7.399 529 HG21 VAL 69 HG21 VAL 69 4.157 -9.540 -4.210 530 HG22 VAL 69 HG22 VAL 69 3.676 -8.942 -5.816 531 HG23 VAL 69 HG23 VAL 69 3.839 -10.692 -5.529 532 H ARG 70 H ARG 70 8.363 -9.316 -4.541 533 HA ARG 70 HA ARG 70 10.189 -10.438 -6.489 534 HB2 ARG 70 HB2 ARG 70 9.615 -7.798 -5.796 535 HB3 ARG 70 HB3 ARG 70 11.091 -8.091 -4.898 536 HG2 ARG 70 HG2 ARG 70 12.254 -8.810 -6.954 537 HG3 ARG 70 HG3 ARG 70 10.770 -8.681 -7.878 538 HD2 ARG 70 HD2 ARG 70 10.821 -6.347 -7.915 539 HD3 ARG 70 HD3 ARG 70 11.634 -6.228 -6.367 540 HE ARG 70 HE ARG 70 12.906 -6.362 -8.960 541 HH11 ARG 70 HH22 ARG 70 13.319 -7.364 -5.612 542 HH12 ARG 70 HH21 ARG 70 15.047 -7.423 -5.709 543 HH21 ARG 70 HH12 ARG 70 15.187 -6.441 -9.088 544 HH22 ARG 70 HH11 ARG 70 16.117 -6.895 -7.700 545 H PHE 71 H PHE 71 11.105 -12.272 -5.509 546 HA PHE 71 HA PHE 71 12.939 -11.778 -3.383 547 HB2 PHE 71 HB2 PHE 71 10.427 -12.248 -2.502 548 HB3 PHE 71 HB3 PHE 71 10.807 -13.909 -2.911 549 HD1 PHE 71 HD2 PHE 71 11.941 -11.047 -0.841 550 HD2 PHE 71 HD1 PHE 71 12.065 -15.245 -1.445 551 HE1 PHE 71 HE2 PHE 71 13.079 -11.332 1.377 552 HE2 PHE 71 HE1 PHE 71 13.203 -15.531 0.774 553 HZ PHE 71 HZ PHE 71 13.697 -13.570 2.158 554 H LYS 72 H LYS 72 11.029 -14.378 -5.062 555 HA LYS 72 HA LYS 72 13.575 -15.541 -5.882 556 HB2 LYS 72 HB2 LYS 72 12.487 -16.590 -3.707 557 HB3 LYS 72 HB3 LYS 72 11.445 -17.391 -4.865 558 HG2 LYS 72 HG2 LYS 72 13.088 -18.901 -5.251 559 HG3 LYS 72 HG3 LYS 72 14.069 -17.622 -5.940 560 HD2 LYS 72 HD2 LYS 72 15.356 -17.384 -4.035 561 HD3 LYS 72 HD3 LYS 72 14.011 -17.694 -2.954 562 HE2 LYS 72 HE2 LYS 72 14.246 -20.040 -3.104 563 HE3 LYS 72 HE3 LYS 72 15.055 -19.967 -4.657 564 HZ1 LYS 72 HZ1 LYS 72 16.153 -19.443 -2.014 565 HZ2 LYS 72 HZ2 LYS 72 16.759 -20.363 -3.219 566 HZ3 LYS 72 HZ3 LYS 72 16.844 -18.735 -3.314 567 H ARG 73 H ARG 73 13.331 -15.001 -8.031 568 HA ARG 73 HA ARG 73 11.130 -14.722 -9.451 569 HB2 ARG 73 HB2 ARG 73 13.847 -15.848 -10.150 570 HB3 ARG 73 HB3 ARG 73 12.605 -15.887 -11.386 571 HG2 ARG 73 HG2 ARG 73 12.228 -13.358 -10.797 572 HG3 ARG 73 HG3 ARG 73 13.777 -13.458 -9.984 573 HD2 ARG 73 HD2 ARG 73 14.175 -14.702 -12.517 574 HD3 ARG 73 HD3 ARG 73 13.217 -13.272 -12.847 575 HE ARG 73 HE ARG 73 15.168 -12.337 -11.114 576 HH11 ARG 73 HH22 ARG 73 15.245 -14.107 -14.154 577 HH12 ARG 73 HH21 ARG 73 16.774 -13.454 -14.643 578 HH21 ARG 73 HH12 ARG 73 17.184 -11.476 -11.757 579 HH22 ARG 73 HH11 ARG 73 17.884 -11.948 -13.270 580 H SER 74 H SER 74 9.306 -16.027 -9.368 581 HA SER 74 HA SER 74 9.245 -18.420 -10.675 582 HB2 SER 74 HB2 SER 74 10.324 -18.759 -8.062 583 HB3 SER 74 HB3 SER 74 8.684 -19.369 -7.979 584 HG SER 74 HG SER 74 9.362 -21.113 -8.999 585 H LYS 75 H LYS 75 7.244 -17.851 -11.501 586 HA LYS 75 HA LYS 75 5.055 -17.554 -11.572 587 HB2 LYS 75 HB2 LYS 75 5.428 -18.962 -9.055 588 HB3 LYS 75 HB3 LYS 75 4.051 -17.883 -8.974 589 HG2 LYS 75 HG2 LYS 75 2.936 -19.604 -9.996 590 HG3 LYS 75 HG3 LYS 75 3.648 -18.960 -11.462 591 HD2 LYS 75 HD2 LYS 75 4.664 -20.965 -11.762 592 HD3 LYS 75 HD3 LYS 75 5.681 -20.591 -10.384 593 HE2 LYS 75 HE2 LYS 75 3.150 -21.475 -9.343 594 HE3 LYS 75 HE3 LYS 75 3.608 -22.605 -10.602 595 HZ1 LYS 75 HZ1 LYS 75 5.488 -21.761 -8.517 596 HZ2 LYS 75 HZ2 LYS 75 4.501 -23.049 -8.333 597 HZ3 LYS 75 HZ3 LYS 75 5.618 -23.039 -9.525 598 H LYS 76 H LYS 76 6.391 -15.306 -11.721 599 HA LYS 76 HA LYS 76 5.245 -13.531 -9.685 600 HB2 LYS 76 HB2 LYS 76 7.012 -11.984 -10.193 601 HB3 LYS 76 HB3 LYS 76 7.717 -13.554 -9.861 602 HG2 LYS 76 HG2 LYS 76 7.327 -13.728 -12.591 603 HG3 LYS 76 HG3 LYS 76 7.639 -12.013 -12.412 604 HD2 LYS 76 HD2 LYS 76 9.738 -12.546 -11.132 605 HD3 LYS 76 HD3 LYS 76 9.432 -14.255 -11.366 606 HE2 LYS 76 HE2 LYS 76 9.288 -12.813 -13.918 607 HE3 LYS 76 HE3 LYS 76 10.823 -12.521 -13.124 608 HZ1 LYS 76 HZ1 LYS 76 11.437 -14.540 -13.691 609 HZ2 LYS 76 HZ2 LYS 76 10.195 -15.217 -12.874 610 HZ3 LYS 76 HZ3 LYS 76 10.012 -14.805 -14.444 611 H ILE 77 H ILE 77 3.332 -14.391 -11.350 612 HA ILE 77 HA ILE 77 3.123 -12.239 -13.341 613 HB ILE 77 HB ILE 77 2.099 -15.074 -13.396 614 HG12 ILE 77 HG12 ILE 77 3.722 -13.702 -15.526 615 HG13 ILE 77 HG13 ILE 77 4.513 -14.359 -14.107 616 HG21 ILE 77 HG21 ILE 77 1.469 -12.878 -15.385 617 HG22 ILE 77 HG22 ILE 77 0.908 -14.567 -15.420 618 HG23 ILE 77 HG23 ILE 77 0.346 -13.470 -14.137 619 HD11 ILE 77 HD11 ILE 77 4.452 -16.025 -15.940 620 HD12 ILE 77 HD12 ILE 77 3.496 -16.586 -14.548 621 HD13 ILE 77 HD13 ILE 77 2.676 -15.921 -15.981 622 H MET 78 H MET 78 1.501 -14.203 -10.805 623 HA MET 78 HA MET 78 -0.994 -13.194 -10.949 624 HB2 MET 78 HB2 MET 78 0.660 -14.594 -9.049 625 HB3 MET 78 HB3 MET 78 -0.134 -13.311 -8.157 626 HG2 MET 78 HG2 MET 78 -1.625 -15.198 -8.054 627 HG3 MET 78 HG3 MET 78 -2.348 -14.085 -9.199 628 HE1 MET 78 HE1 MET 78 -3.752 -16.509 -10.043 629 HE2 MET 78 HE2 MET 78 -3.498 -14.980 -10.919 630 HE3 MET 78 HE3 MET 78 -3.248 -16.534 -11.750 631 HA PRO 79 HA PRO 79 0.395 -9.477 -8.347 632 HB2 PRO 79 HB2 PRO 79 3.056 -9.018 -7.926 633 HB3 PRO 79 HB3 PRO 79 2.033 -9.854 -6.774 634 HG2 PRO 79 HG2 PRO 79 4.063 -10.977 -8.606 635 HG3 PRO 79 HG3 PRO 79 3.350 -11.704 -7.180 636 HD2 PRO 79 HD2 PRO 79 2.714 -12.302 -9.912 637 HD3 PRO 79 HD3 PRO 79 1.921 -12.943 -8.486 638 H ALA 80 H ALA 80 -0.230 -9.473 -10.898 639 HA ALA 80 HA ALA 80 1.756 -7.972 -12.343 640 HB1 ALA 80 HB1 ALA 80 -1.054 -8.962 -12.932 641 HB2 ALA 80 HB2 ALA 80 -0.130 -7.956 -14.074 642 HB3 ALA 80 HB3 ALA 80 0.486 -9.557 -13.598 643 H GLY 81 H GLY 81 -1.454 -7.425 -10.780 644 HA2 GLY 81 HA2 GLY 81 -1.776 -4.754 -11.573 645 HA3 GLY 81 HA3 GLY 81 -2.518 -5.536 -10.191 646 H LEU 82 H LEU 82 0.413 -6.261 -9.280 647 HA LEU 82 HA LEU 82 0.655 -4.196 -7.430 648 HB2 LEU 82 HB2 LEU 82 1.484 -6.457 -7.090 649 HB3 LEU 82 HB3 LEU 82 2.662 -6.248 -8.370 650 HG LEU 82 HG LEU 82 2.987 -4.143 -6.427 651 HD11 LEU 82 HD11 LEU 82 1.870 -5.843 -4.939 652 HD12 LEU 82 HD12 LEU 82 3.264 -6.910 -5.237 653 HD13 LEU 82 HD13 LEU 82 3.502 -5.337 -4.439 654 HD21 LEU 82 HD21 LEU 82 5.268 -4.897 -6.399 655 HD22 LEU 82 HD22 LEU 82 4.809 -6.466 -7.104 656 HD23 LEU 82 HD23 LEU 82 4.660 -4.978 -8.070 657 H VAL 83 H VAL 83 3.252 -4.969 -9.824 658 HA VAL 83 HA VAL 83 4.212 -2.330 -9.778 659 HB VAL 83 HB VAL 83 4.661 -4.699 -11.592 660 HG11 VAL 83 HG11 VAL 83 6.254 -2.115 -11.585 661 HG12 VAL 83 HG12 VAL 83 6.506 -3.539 -12.623 662 HG13 VAL 83 HG13 VAL 83 5.041 -2.546 -12.814 663 HG21 VAL 83 HG21 VAL 83 7.021 -4.173 -10.320 664 HG22 VAL 83 HG22 VAL 83 5.841 -3.684 -9.080 665 HG23 VAL 83 HG23 VAL 83 5.798 -5.333 -9.749 666 H ALA 84 H ALA 84 2.205 -4.180 -12.162 667 HA ALA 84 HA ALA 84 1.996 -2.230 -14.083 668 HB1 ALA 84 HB1 ALA 84 1.191 -4.663 -14.083 669 HB2 ALA 84 HB2 ALA 84 -0.261 -4.076 -13.238 670 HB3 ALA 84 HB3 ALA 84 0.122 -3.478 -14.870 671 H GLY 85 H GLY 85 0.479 -2.476 -10.879 672 HA2 GLY 85 HA2 GLY 85 -1.547 -0.520 -11.355 673 HA3 GLY 85 HA3 GLY 85 -1.021 -1.163 -9.812 674 H LEU 86 H LEU 86 1.650 -0.504 -9.614 675 HA LEU 86 HA LEU 86 1.616 2.092 -8.772 676 HB2 LEU 86 HB2 LEU 86 3.696 1.670 -8.113 677 HB3 LEU 86 HB3 LEU 86 3.340 0.032 -8.624 678 HG LEU 86 HG LEU 86 4.325 0.708 -10.906 679 HD11 LEU 86 HD11 LEU 86 4.594 2.960 -11.018 680 HD12 LEU 86 HD12 LEU 86 4.919 3.127 -9.276 681 HD13 LEU 86 HD13 LEU 86 6.195 2.535 -10.366 682 HD21 LEU 86 HD21 LEU 86 6.719 0.496 -9.911 683 HD22 LEU 86 HD22 LEU 86 5.867 0.272 -8.365 684 HD23 LEU 86 HD23 LEU 86 5.563 -0.843 -9.719 685 H SER 87 H SER 87 2.565 0.778 -11.996 686 HA SER 87 HA SER 87 3.410 3.239 -12.987 687 HB2 SER 87 HB2 SER 87 2.512 0.640 -14.268 688 HB3 SER 87 HB3 SER 87 2.912 2.028 -15.261 689 HG SER 87 HG SER 87 4.595 0.266 -13.973 690 H LEU 88 H LEU 88 0.311 1.379 -13.408 691 HA LEU 88 HA LEU 88 -0.998 3.224 -14.978 692 HB2 LEU 88 HB2 LEU 88 -1.559 0.800 -13.695 693 HB3 LEU 88 HB3 LEU 88 -2.766 1.920 -13.093 694 HG LEU 88 HG LEU 88 -3.618 0.736 -15.018 695 HD11 LEU 88 HD11 LEU 88 -4.763 2.584 -15.449 696 HD12 LEU 88 HD12 LEU 88 -3.429 3.593 -14.840 697 HD13 LEU 88 HD13 LEU 88 -3.467 3.108 -16.552 698 HD21 LEU 88 HD21 LEU 88 -0.979 1.403 -16.165 699 HD22 LEU 88 HD22 LEU 88 -2.046 0.007 -16.450 700 HD23 LEU 88 HD23 LEU 88 -2.359 1.550 -17.280 701 H MET 89 H MET 89 -0.013 3.425 -11.642 702 HA MET 89 HA MET 89 -2.013 5.327 -10.942 703 HB2 MET 89 HB2 MET 89 -0.299 3.632 -9.557 704 HB3 MET 89 HB3 MET 89 0.529 5.164 -9.360 705 HG2 MET 89 HG2 MET 89 -2.301 5.601 -8.916 706 HG3 MET 89 HG3 MET 89 -1.802 4.218 -7.961 707 HE1 MET 89 HE1 MET 89 -0.873 7.473 -9.301 708 HE2 MET 89 HE2 MET 89 -1.157 8.463 -7.850 709 HE3 MET 89 HE3 MET 89 0.503 8.021 -8.316 710 H MET 90 H MET 90 1.623 5.551 -11.043 711 HA MET 90 HA MET 90 1.770 8.251 -10.910 712 HB2 MET 90 HB2 MET 90 4.036 7.959 -11.879 713 HB3 MET 90 HB3 MET 90 3.691 6.619 -10.804 714 HG2 MET 90 HG2 MET 90 3.895 5.115 -12.498 715 HG3 MET 90 HG3 MET 90 2.731 5.980 -13.481 716 HE1 MET 90 HE1 MET 90 5.700 4.925 -15.362 717 HE2 MET 90 HE2 MET 90 3.932 4.924 -15.162 718 HE3 MET 90 HE3 MET 90 4.705 6.114 -16.237 719 H ILE 91 H ILE 91 0.640 6.281 -13.569 720 HA ILE 91 HA ILE 91 1.059 8.408 -15.499 721 HB ILE 91 HB ILE 91 1.338 5.829 -15.820 722 HG12 ILE 91 HG12 ILE 91 0.381 6.268 -18.271 723 HG13 ILE 91 HG13 ILE 91 0.325 7.923 -17.698 724 HG21 ILE 91 HG21 ILE 91 -0.632 4.737 -16.757 725 HG22 ILE 91 HG22 ILE 91 -0.912 5.221 -15.068 726 HG23 ILE 91 HG23 ILE 91 -1.618 6.174 -16.395 727 HD11 ILE 91 HD11 ILE 91 2.568 6.690 -18.747 728 HD12 ILE 91 HD12 ILE 91 2.599 8.136 -17.709 729 HD13 ILE 91 HD13 ILE 91 2.843 6.523 -16.996 730 H LEU 92 H LEU 92 -1.571 6.715 -13.716 731 HA LEU 92 HA LEU 92 -3.707 7.935 -14.985 732 HB2 LEU 92 HB2 LEU 92 -4.338 6.185 -13.691 733 HB3 LEU 92 HB3 LEU 92 -3.217 6.568 -12.401 734 HG LEU 92 HG LEU 92 -5.560 8.382 -12.864 735 HD11 LEU 92 HD11 LEU 92 -5.915 6.031 -11.047 736 HD12 LEU 92 HD12 LEU 92 -7.129 7.032 -11.880 737 HD13 LEU 92 HD13 LEU 92 -6.192 5.825 -12.794 738 HD21 LEU 92 HD21 LEU 92 -4.481 7.506 -10.206 739 HD22 LEU 92 HD22 LEU 92 -3.583 8.692 -11.183 740 HD23 LEU 92 HD23 LEU 92 -5.254 9.039 -10.677 741 H ARG 93 H ARG 93 -1.388 9.153 -12.598 742 HA ARG 93 HA ARG 93 -3.038 11.477 -12.182 743 HB2 ARG 93 HB2 ARG 93 -0.889 10.117 -10.730 744 HB3 ARG 93 HB3 ARG 93 -0.512 11.820 -10.899 745 HG2 ARG 93 HG2 ARG 93 -3.311 11.054 -10.058 746 HG3 ARG 93 HG3 ARG 93 -2.025 10.924 -8.875 747 HD2 ARG 93 HD2 ARG 93 -2.113 13.474 -10.459 748 HD3 ARG 93 HD3 ARG 93 -3.415 13.230 -9.312 749 HE ARG 93 HE ARG 93 -1.202 12.600 -7.806 750 HH11 ARG 93 HH22 ARG 93 -1.991 15.362 -9.839 751 HH12 ARG 93 HH21 ARG 93 -1.037 16.475 -8.917 752 HH21 ARG 93 HH12 ARG 93 0.057 14.069 -6.590 753 HH22 ARG 93 HH11 ARG 93 0.136 15.735 -7.057 754 H LEU 94 H LEU 94 0.285 10.573 -13.342 755 HA LEU 94 HA LEU 94 1.124 13.109 -14.045 756 HB2 LEU 94 HB2 LEU 94 2.599 11.208 -13.873 757 HB3 LEU 94 HB3 LEU 94 1.797 10.405 -15.208 758 HG LEU 94 HG LEU 94 2.549 12.734 -16.412 759 HD11 LEU 94 HD11 LEU 94 5.039 12.911 -15.701 760 HD12 LEU 94 HD12 LEU 94 3.795 13.751 -14.745 761 HD13 LEU 94 HD13 LEU 94 4.475 12.212 -14.164 762 HD21 LEU 94 HD21 LEU 94 4.334 10.299 -16.184 763 HD22 LEU 94 HD22 LEU 94 2.857 10.371 -17.175 764 HD23 LEU 94 HD23 LEU 94 4.224 11.451 -17.536 765 H VAL 95 H VAL 95 -1.372 11.110 -15.411 766 HA VAL 95 HA VAL 95 -1.243 12.180 -18.042 767 HB VAL 95 HB VAL 95 -3.154 10.522 -16.441 768 HG11 VAL 95 HG11 VAL 95 -4.908 11.402 -17.538 769 HG12 VAL 95 HG12 VAL 95 -3.870 12.245 -18.712 770 HG13 VAL 95 HG13 VAL 95 -4.280 10.531 -18.957 771 HG21 VAL 95 HG21 VAL 95 -0.999 9.935 -18.062 772 HG22 VAL 95 HG22 VAL 95 -2.296 8.804 -17.604 773 HG23 VAL 95 HG23 VAL 95 -2.387 9.685 -19.148 774 H LEU 96 H LEU 96 -3.978 12.493 -15.686 775 HA LEU 96 HA LEU 96 -5.164 14.651 -16.744 776 HB2 LEU 96 HB2 LEU 96 -6.311 14.853 -14.783 777 HB3 LEU 96 HB3 LEU 96 -5.721 13.205 -14.682 778 HG LEU 96 HG LEU 96 -3.790 14.955 -13.465 779 HD11 LEU 96 HD11 LEU 96 -4.911 16.302 -12.050 780 HD12 LEU 96 HD12 LEU 96 -6.187 16.197 -13.286 781 HD13 LEU 96 HD13 LEU 96 -6.257 15.155 -11.845 782 HD21 LEU 96 HD21 LEU 96 -4.522 12.424 -13.139 783 HD22 LEU 96 HD22 LEU 96 -3.767 13.366 -11.831 784 HD23 LEU 96 HD23 LEU 96 -5.532 13.140 -11.860 785 H LEU 97 H LEU 97 -2.097 14.568 -14.945 786 HA LEU 97 HA LEU 97 -0.752 16.222 -14.252 787 HB2 LEU 97 HB2 LEU 97 -0.489 15.803 -16.795 788 HB3 LEU 97 HB3 LEU 97 -1.203 17.392 -16.980 789 HG LEU 97 HG LEU 97 1.233 16.932 -15.254 790 HD11 LEU 97 HD11 LEU 97 1.042 17.169 -18.232 791 HD12 LEU 97 HD12 LEU 97 2.406 17.937 -17.385 792 HD13 LEU 97 HD13 LEU 97 2.133 16.185 -17.227 793 HD21 LEU 97 HD21 LEU 97 0.009 19.379 -16.548 794 HD22 LEU 97 HD22 LEU 97 0.158 19.018 -14.812 795 HD23 LEU 97 HD23 LEU 97 1.614 19.352 -15.779 796 H LEU 98 H LEU 98 -3.067 16.743 -13.019 797 HA LEU 98 HA LEU 98 -4.551 18.300 -12.380 798 HB2 LEU 98 HB2 LEU 98 -2.254 20.220 -12.403 799 HB3 LEU 98 HB3 LEU 98 -3.521 20.011 -11.210 800 HG LEU 98 HG LEU 98 -1.829 17.632 -11.503 801 HD11 LEU 98 HD11 LEU 98 -0.357 19.851 -11.863 802 HD12 LEU 98 HD12 LEU 98 -0.389 19.805 -10.084 803 HD13 LEU 98 HD13 LEU 98 0.233 18.411 -10.999 804 HD21 LEU 98 HD21 LEU 98 -3.063 17.471 -9.614 805 HD22 LEU 98 HD22 LEU 98 -1.665 18.321 -8.913 806 HD23 LEU 98 HD23 LEU 98 -3.126 19.232 -9.366 807 H LEU 99 H LEU 99 -4.801 17.971 -15.132 808 HA LEU 99 HA LEU 99 -4.438 20.022 -16.813 809 HB2 LEU 99 HB2 LEU 99 -5.829 18.904 -18.128 810 HB3 LEU 99 HB3 LEU 99 -5.861 17.722 -16.835 811 HG LEU 99 HG LEU 99 -7.872 19.267 -15.979 812 HD11 LEU 99 HD11 LEU 99 -7.679 20.919 -17.754 813 HD12 LEU 99 HD12 LEU 99 -7.902 19.652 -18.985 814 HD13 LEU 99 HD13 LEU 99 -9.230 20.053 -17.870 815 HD21 LEU 99 HD21 LEU 99 -7.642 16.755 -16.941 816 HD22 LEU 99 HD22 LEU 99 -9.188 17.504 -16.473 817 HD23 LEU 99 HD23 LEU 99 -8.697 17.471 -18.184 Start of MODEL 8 1 H MET 1 H1 MET 1 -40.290 -38.244 -7.035 2 HA MET 1 HA MET 1 -39.859 -40.627 -7.783 3 HB2 MET 1 HB2 MET 1 -38.634 -38.869 -9.885 4 HB3 MET 1 HB3 MET 1 -37.616 -40.194 -9.359 5 HG2 MET 1 HG2 MET 1 -40.035 -41.496 -9.662 6 HG3 MET 1 HG3 MET 1 -40.168 -40.265 -10.903 7 HE1 MET 1 HE1 MET 1 -38.044 -43.763 -10.092 8 HE2 MET 1 HE2 MET 1 -39.767 -43.417 -10.371 9 HE3 MET 1 HE3 MET 1 -38.768 -44.080 -11.687 10 H ASP 2 H ASP 2 -37.553 -37.809 -7.782 11 HA ASP 2 HA ASP 2 -35.733 -37.440 -6.640 12 HB2 ASP 2 HB2 ASP 2 -37.864 -38.093 -4.740 13 HB3 ASP 2 HB3 ASP 2 -36.300 -38.484 -4.055 14 H LEU 3 H LEU 3 -34.227 -38.954 -7.591 15 HA LEU 3 HA LEU 3 -33.936 -41.472 -6.105 16 HB2 LEU 3 HB2 LEU 3 -33.851 -40.814 -8.988 17 HB3 LEU 3 HB3 LEU 3 -32.616 -41.920 -8.420 18 HG LEU 3 HG LEU 3 -34.589 -43.083 -9.307 19 HD11 LEU 3 HD11 LEU 3 -33.951 -44.714 -7.949 20 HD12 LEU 3 HD12 LEU 3 -33.336 -43.532 -6.769 21 HD13 LEU 3 HD13 LEU 3 -35.031 -44.069 -6.690 22 HD21 LEU 3 HD21 LEU 3 -36.399 -42.655 -7.094 23 HD22 LEU 3 HD22 LEU 3 -36.038 -41.122 -7.923 24 HD23 LEU 3 HD23 LEU 3 -36.681 -42.502 -8.845 25 H ILE 4 H ILE 4 -32.091 -38.995 -8.022 26 HA ILE 4 HA ILE 4 -29.582 -39.667 -7.207 27 HB ILE 4 HB ILE 4 -29.714 -38.097 -8.876 28 HG12 ILE 4 HG12 ILE 4 -29.131 -35.914 -7.046 29 HG13 ILE 4 HG13 ILE 4 -28.356 -37.396 -6.524 30 HG21 ILE 4 HG21 ILE 4 -30.972 -35.783 -7.903 31 HG22 ILE 4 HG22 ILE 4 -31.580 -36.923 -9.127 32 HG23 ILE 4 HG23 ILE 4 -32.013 -37.141 -7.414 33 HD11 ILE 4 HD11 ILE 4 -27.867 -35.758 -8.963 34 HD12 ILE 4 HD12 ILE 4 -26.743 -36.777 -8.033 35 HD13 ILE 4 HD13 ILE 4 -27.846 -37.519 -9.216 36 H GLY 5 H GLY 5 -30.982 -36.672 -5.796 37 HA2 GLY 5 HA2 GLY 5 -31.258 -36.066 -3.620 38 HA3 GLY 5 HA3 GLY 5 -30.831 -37.685 -3.101 39 H PHE 6 H PHE 6 -28.330 -38.217 -3.907 40 HA PHE 6 HA PHE 6 -26.733 -36.744 -2.210 41 HB2 PHE 6 HB2 PHE 6 -26.518 -39.083 -3.489 42 HB3 PHE 6 HB3 PHE 6 -25.777 -38.136 -4.763 43 HD1 PHE 6 HD2 PHE 6 -25.474 -38.793 -1.105 44 HD2 PHE 6 HD1 PHE 6 -23.489 -37.759 -4.711 45 HE1 PHE 6 HE2 PHE 6 -23.261 -38.946 0.069 46 HE2 PHE 6 HE1 PHE 6 -21.276 -37.912 -3.537 47 HZ PHE 6 HZ PHE 6 -21.188 -38.504 -1.161 48 H GLY 7 H GLY 7 -26.655 -36.721 -5.853 49 HA2 GLY 7 HA2 GLY 7 -24.858 -34.808 -6.366 50 HA3 GLY 7 HA3 GLY 7 -26.352 -34.972 -7.267 51 H TYR 8 H TYR 8 -28.321 -34.177 -5.455 52 HA TYR 8 HA TYR 8 -28.218 -31.420 -5.641 53 HB2 TYR 8 HB2 TYR 8 -30.086 -33.302 -5.130 54 HB3 TYR 8 HB3 TYR 8 -29.687 -32.977 -3.454 55 HD1 TYR 8 HD1 TYR 8 -30.571 -31.086 -6.579 56 HD2 TYR 8 HD2 TYR 8 -30.948 -31.387 -2.328 57 HE1 TYR 8 HE1 TYR 8 -32.173 -29.111 -6.573 58 HE2 TYR 8 HE2 TYR 8 -32.548 -29.412 -2.337 59 HH TYR 8 HH TYR 8 -32.772 -27.287 -4.631 60 H ALA 9 H ALA 9 -27.483 -33.592 -2.838 61 HA ALA 9 HA ALA 9 -26.930 -31.391 -1.113 62 HB1 ALA 9 HB1 ALA 9 -26.753 -33.010 0.504 63 HB2 ALA 9 HB2 ALA 9 -27.630 -33.964 -0.716 64 HB3 ALA 9 HB3 ALA 9 -25.864 -34.128 -0.558 65 H ALA 10 H ALA 10 -25.163 -33.294 -3.503 66 HA ALA 10 HA ALA 10 -22.575 -32.743 -2.499 67 HB1 ALA 10 HB1 ALA 10 -23.139 -34.625 -4.018 68 HB2 ALA 10 HB2 ALA 10 -23.513 -33.456 -5.308 69 HB3 ALA 10 HB3 ALA 10 -21.851 -33.593 -4.686 70 H LEU 11 H LEU 11 -24.536 -31.339 -5.222 71 HA LEU 11 HA LEU 11 -22.689 -29.336 -5.822 72 HB2 LEU 11 HB2 LEU 11 -24.340 -28.453 -7.224 73 HB3 LEU 11 HB3 LEU 11 -24.549 -30.193 -7.253 74 HG LEU 11 HG LEU 11 -26.332 -29.653 -5.342 75 HD11 LEU 11 HD11 LEU 11 -27.042 -27.289 -6.924 76 HD12 LEU 11 HD12 LEU 11 -27.085 -27.557 -5.164 77 HD13 LEU 11 HD13 LEU 11 -25.562 -27.085 -5.956 78 HD21 LEU 11 HD21 LEU 11 -28.054 -29.447 -7.213 79 HD22 LEU 11 HD22 LEU 11 -26.674 -29.494 -8.337 80 HD23 LEU 11 HD23 LEU 11 -26.981 -30.867 -7.246 81 H VAL 12 H VAL 12 -25.503 -29.450 -3.572 82 HA VAL 12 HA VAL 12 -25.545 -26.777 -2.887 83 HB VAL 12 HB VAL 12 -26.337 -29.347 -1.588 84 HG11 VAL 12 HG11 VAL 12 -25.696 -28.320 0.396 85 HG12 VAL 12 HG12 VAL 12 -26.085 -26.688 -0.200 86 HG13 VAL 12 HG13 VAL 12 -27.394 -27.810 0.241 87 HG21 VAL 12 HG21 VAL 12 -28.285 -28.849 -2.548 88 HG22 VAL 12 HG22 VAL 12 -28.363 -27.318 -1.644 89 HG23 VAL 12 HG23 VAL 12 -27.561 -27.374 -3.232 90 H THR 13 H THR 13 -23.656 -29.513 -1.441 91 HA THR 13 HA THR 13 -22.378 -27.907 0.490 92 HB THR 13 HB THR 13 -21.705 -30.596 -0.812 93 HG1 THR 13 HG1 THR 13 -22.613 -31.148 1.418 94 HG21 THR 13 HG21 THR 13 -20.591 -29.200 1.674 95 HG22 THR 13 HG22 THR 13 -20.463 -30.953 1.397 96 HG23 THR 13 HG23 THR 13 -19.662 -29.816 0.286 97 H PHE 14 H PHE 14 -21.733 -28.555 -2.944 98 HA PHE 14 HA PHE 14 -19.071 -27.684 -2.929 99 HB2 PHE 14 HB2 PHE 14 -20.705 -28.909 -4.689 100 HB3 PHE 14 HB3 PHE 14 -21.064 -27.273 -5.206 101 HD1 PHE 14 HD2 PHE 14 -18.115 -29.463 -4.532 102 HD2 PHE 14 HD1 PHE 14 -19.779 -26.350 -6.887 103 HE1 PHE 14 HE2 PHE 14 -16.073 -29.477 -5.992 104 HE2 PHE 14 HE1 PHE 14 -17.737 -26.364 -8.348 105 HZ PHE 14 HZ PHE 14 -15.909 -27.927 -7.883 106 H GLY 15 H GLY 15 -22.165 -25.971 -3.773 107 HA2 GLY 15 HA2 GLY 15 -20.897 -23.469 -4.229 108 HA3 GLY 15 HA3 GLY 15 -22.611 -23.776 -4.030 109 H SER 16 H SER 16 -21.994 -25.212 -1.351 110 HA SER 16 HA SER 16 -22.422 -22.950 0.236 111 HB2 SER 16 HB2 SER 16 -22.508 -25.821 0.516 112 HB3 SER 16 HB3 SER 16 -21.572 -25.176 1.850 113 HG SER 16 HG SER 16 -23.376 -23.668 2.252 114 H ILE 17 H ILE 17 -19.642 -25.281 -0.043 115 HA ILE 17 HA ILE 17 -18.005 -23.821 1.734 116 HB ILE 17 HB ILE 17 -17.435 -25.959 -0.315 117 HG12 ILE 17 HG12 ILE 17 -17.504 -26.142 2.707 118 HG13 ILE 17 HG13 ILE 17 -18.888 -26.490 1.690 119 HG21 ILE 17 HG21 ILE 17 -15.249 -25.694 -0.057 120 HG22 ILE 17 HG22 ILE 17 -15.569 -24.193 0.845 121 HG23 ILE 17 HG23 ILE 17 -15.408 -25.737 1.716 122 HD11 ILE 17 HD11 ILE 17 -17.899 -28.400 0.743 123 HD12 ILE 17 HD12 ILE 17 -16.246 -27.831 1.077 124 HD13 ILE 17 HD13 ILE 17 -17.260 -28.447 2.404 125 H PHE 18 H PHE 18 -17.954 -24.179 -1.884 126 HA PHE 18 HA PHE 18 -15.948 -22.378 -2.367 127 HB2 PHE 18 HB2 PHE 18 -17.454 -24.006 -3.859 128 HB3 PHE 18 HB3 PHE 18 -18.507 -22.615 -4.032 129 HD1 PHE 18 HD1 PHE 18 -14.982 -23.690 -4.546 130 HD2 PHE 18 HD2 PHE 18 -18.086 -21.033 -5.691 131 HE1 PHE 18 HE1 PHE 18 -13.567 -22.854 -6.443 132 HE2 PHE 18 HE2 PHE 18 -16.671 -20.196 -7.588 133 HZ PHE 18 HZ PHE 18 -14.429 -21.117 -7.941 134 H GLY 19 H GLY 19 -19.410 -21.805 -1.654 135 HA2 GLY 19 HA2 GLY 19 -19.780 -19.240 -2.514 136 HA3 GLY 19 HA3 GLY 19 -20.483 -19.916 -1.058 137 H TYR 20 H TYR 20 -18.697 -20.136 0.847 138 HA TYR 20 HA TYR 20 -18.176 -17.673 1.806 139 HB2 TYR 20 HB2 TYR 20 -17.097 -20.475 2.059 140 HB3 TYR 20 HB3 TYR 20 -16.035 -19.243 2.712 141 HD1 TYR 20 HD2 TYR 20 -17.105 -17.557 4.406 142 HD2 TYR 20 HD1 TYR 20 -18.841 -21.327 3.369 143 HE1 TYR 20 HE2 TYR 20 -18.471 -17.526 6.550 144 HE2 TYR 20 HE1 TYR 20 -20.201 -21.283 5.516 145 HH TYR 20 HH TYR 20 -21.078 -19.213 7.048 146 H LYS 21 H LYS 21 -17.212 -16.014 0.701 147 HA LYS 21 HA LYS 21 -15.264 -16.306 -1.229 148 HB2 LYS 21 HB2 LYS 21 -16.780 -14.271 -0.369 149 HB3 LYS 21 HB3 LYS 21 -15.290 -13.833 0.442 150 HG2 LYS 21 HG2 LYS 21 -14.089 -14.114 -1.802 151 HG3 LYS 21 HG3 LYS 21 -15.661 -14.316 -2.549 152 HD2 LYS 21 HD2 LYS 21 -16.164 -12.026 -1.185 153 HD3 LYS 21 HD3 LYS 21 -14.429 -11.849 -1.349 154 HE2 LYS 21 HE2 LYS 21 -14.612 -11.305 -3.550 155 HE3 LYS 21 HE3 LYS 21 -15.571 -12.733 -3.886 156 HZ1 LYS 21 HZ1 LYS 21 -17.496 -11.609 -3.509 157 HZ2 LYS 21 HZ2 LYS 21 -16.830 -10.503 -2.509 158 HZ3 LYS 21 HZ3 LYS 21 -16.590 -10.396 -4.121 159 H ARG 22 H ARG 22 -13.147 -16.847 -1.189 160 HA ARG 22 HA ARG 22 -11.774 -16.424 1.336 161 HB2 ARG 22 HB2 ARG 22 -12.036 -18.958 -0.280 162 HB3 ARG 22 HB3 ARG 22 -10.489 -18.656 0.486 163 HG2 ARG 22 HG2 ARG 22 -11.942 -18.151 2.642 164 HG3 ARG 22 HG3 ARG 22 -13.200 -19.027 1.793 165 HD2 ARG 22 HD2 ARG 22 -11.919 -21.051 1.727 166 HD3 ARG 22 HD3 ARG 22 -10.416 -20.218 2.071 167 HE ARG 22 HE ARG 22 -12.169 -19.747 4.264 168 HH11 ARG 22 HH22 ARG 22 -10.459 -22.432 2.765 169 HH12 ARG 22 HH21 ARG 22 -10.325 -23.335 4.237 170 HH21 ARG 22 HH12 ARG 22 -11.992 -20.937 6.207 171 HH22 ARG 22 HH11 ARG 22 -11.203 -22.479 6.208 172 H ARG 23 H ARG 23 -11.581 -14.522 -0.608 173 HA ARG 23 HA ARG 23 -9.360 -15.227 -2.298 174 HB2 ARG 23 HB2 ARG 23 -11.576 -13.421 -2.491 175 HB3 ARG 23 HB3 ARG 23 -10.138 -12.419 -2.457 176 HG2 ARG 23 HG2 ARG 23 -9.190 -14.114 -4.237 177 HG3 ARG 23 HG3 ARG 23 -10.860 -14.604 -4.439 178 HD2 ARG 23 HD2 ARG 23 -9.988 -11.685 -4.620 179 HD3 ARG 23 HD3 ARG 23 -10.010 -12.743 -6.017 180 HE ARG 23 HE ARG 23 -12.345 -11.644 -4.615 181 HH11 ARG 23 HH22 ARG 23 -11.189 -14.142 -6.807 182 HH12 ARG 23 HH21 ARG 23 -12.747 -14.428 -7.508 183 HH21 ARG 23 HH12 ARG 23 -14.401 -12.021 -5.539 184 HH22 ARG 23 HH11 ARG 23 -14.586 -13.213 -6.782 185 H GLY 24 H GLY 24 -10.243 -12.418 -0.141 186 HA2 GLY 24 HA2 GLY 24 -8.925 -10.984 1.007 187 HA3 GLY 24 HA3 GLY 24 -8.216 -12.456 1.639 188 H GLY 25 H GLY 25 -8.102 -10.907 -1.650 189 HA2 GLY 25 HA2 GLY 25 -6.365 -10.137 -2.860 190 HA3 GLY 25 HA3 GLY 25 -5.408 -10.053 -1.394 191 H VAL 26 H VAL 26 -7.007 -12.851 -3.076 192 HA VAL 26 HA VAL 26 -4.674 -14.449 -2.669 193 HB VAL 26 HB VAL 26 -7.452 -14.768 -3.503 194 HG11 VAL 26 HG11 VAL 26 -7.088 -16.828 -4.826 195 HG12 VAL 26 HG12 VAL 26 -6.471 -15.375 -5.649 196 HG13 VAL 26 HG13 VAL 26 -5.341 -16.491 -4.845 197 HG21 VAL 26 HG21 VAL 26 -5.912 -17.102 -2.558 198 HG22 VAL 26 HG22 VAL 26 -5.842 -15.682 -1.486 199 HG23 VAL 26 HG23 VAL 26 -7.415 -16.384 -1.931 200 HA PRO 27 HA PRO 27 -4.355 -13.767 -7.338 201 HB2 PRO 27 HB2 PRO 27 -5.952 -11.926 -8.574 202 HB3 PRO 27 HB3 PRO 27 -6.327 -13.637 -8.518 203 HG2 PRO 27 HG2 PRO 27 -7.541 -11.422 -6.982 204 HG3 PRO 27 HG3 PRO 27 -8.165 -13.036 -7.260 205 HD2 PRO 27 HD2 PRO 27 -6.948 -12.058 -4.854 206 HD3 PRO 27 HD3 PRO 27 -7.466 -13.701 -5.174 207 H SER 28 H SER 28 -3.859 -11.725 -9.007 208 HA SER 28 HA SER 28 -2.280 -10.056 -7.223 209 HB2 SER 28 HB2 SER 28 -1.878 -10.345 -10.221 210 HB3 SER 28 HB3 SER 28 -0.731 -9.755 -9.035 211 HG SER 28 HG SER 28 -1.693 -12.469 -9.336 212 H LEU 29 H LEU 29 -4.675 -10.096 -9.878 213 HA LEU 29 HA LEU 29 -4.629 -7.488 -10.682 214 HB2 LEU 29 HB2 LEU 29 -7.152 -7.880 -11.016 215 HB3 LEU 29 HB3 LEU 29 -5.994 -8.843 -11.911 216 HG LEU 29 HG LEU 29 -6.627 -10.194 -9.449 217 HD11 LEU 29 HD11 LEU 29 -8.709 -8.777 -9.632 218 HD12 LEU 29 HD12 LEU 29 -9.072 -9.647 -11.142 219 HD13 LEU 29 HD13 LEU 29 -8.968 -10.538 -9.605 220 HD21 LEU 29 HD21 LEU 29 -7.330 -10.933 -12.301 221 HD22 LEU 29 HD22 LEU 29 -5.731 -11.175 -11.557 222 HD23 LEU 29 HD23 LEU 29 -7.153 -12.026 -10.907 223 H ILE 30 H ILE 30 -6.549 -8.896 -7.937 224 HA ILE 30 HA ILE 30 -7.649 -6.507 -7.091 225 HB ILE 30 HB ILE 30 -8.430 -8.675 -6.377 226 HG12 ILE 30 HG12 ILE 30 -8.923 -8.158 -4.105 227 HG13 ILE 30 HG13 ILE 30 -7.464 -7.207 -3.917 228 HG21 ILE 30 HG21 ILE 30 -6.341 -9.890 -6.254 229 HG22 ILE 30 HG22 ILE 30 -5.808 -8.900 -4.875 230 HG23 ILE 30 HG23 ILE 30 -7.196 -9.999 -4.697 231 HD11 ILE 30 HD11 ILE 30 -8.293 -5.505 -5.473 232 HD12 ILE 30 HD12 ILE 30 -9.714 -6.505 -5.857 233 HD13 ILE 30 HD13 ILE 30 -9.531 -5.805 -4.230 234 H ALA 31 H ALA 31 -4.402 -7.892 -6.620 235 HA ALA 31 HA ALA 31 -3.601 -6.286 -4.489 236 HB1 ALA 31 HB1 ALA 31 -2.530 -8.357 -5.813 237 HB2 ALA 31 HB2 ALA 31 -1.657 -7.044 -6.641 238 HB3 ALA 31 HB3 ALA 31 -1.531 -7.222 -4.874 239 H GLY 32 H GLY 32 -3.214 -5.829 -8.074 240 HA2 GLY 32 HA2 GLY 32 -1.941 -3.365 -7.997 241 HA3 GLY 32 HA3 GLY 32 -2.942 -3.968 -9.303 242 H LEU 33 H LEU 33 -5.490 -4.137 -8.188 243 HA LEU 33 HA LEU 33 -6.381 -1.531 -8.360 244 HB2 LEU 33 HB2 LEU 33 -7.826 -3.345 -8.834 245 HB3 LEU 33 HB3 LEU 33 -7.608 -4.043 -7.241 246 HG LEU 33 HG LEU 33 -8.643 -1.428 -6.843 247 HD11 LEU 33 HD11 LEU 33 -10.645 -2.815 -8.542 248 HD12 LEU 33 HD12 LEU 33 -10.355 -1.079 -8.281 249 HD13 LEU 33 HD13 LEU 33 -9.304 -2.001 -9.382 250 HD21 LEU 33 HD21 LEU 33 -10.349 -2.535 -5.662 251 HD22 LEU 33 HD22 LEU 33 -10.209 -4.002 -6.659 252 HD23 LEU 33 HD23 LEU 33 -8.919 -3.583 -5.508 253 H PHE 34 H PHE 34 -5.522 -3.528 -5.488 254 HA PHE 34 HA PHE 34 -6.439 -1.748 -3.565 255 HB2 PHE 34 HB2 PHE 34 -5.527 -4.211 -3.460 256 HB3 PHE 34 HB3 PHE 34 -3.922 -3.506 -3.471 257 HD1 PHE 34 HD1 PHE 34 -6.966 -4.000 -1.508 258 HD2 PHE 34 HD2 PHE 34 -3.078 -2.301 -1.535 259 HE1 PHE 34 HE1 PHE 34 -7.066 -3.734 0.986 260 HE2 PHE 34 HE2 PHE 34 -3.177 -2.035 0.959 261 HZ PHE 34 HZ PHE 34 -5.170 -2.755 2.190 262 H VAL 35 H VAL 35 -3.158 -2.097 -5.079 263 HA VAL 35 HA VAL 35 -1.893 -0.136 -3.607 264 HB VAL 35 HB VAL 35 -1.486 -1.024 -6.470 265 HG11 VAL 35 HG11 VAL 35 -0.177 0.848 -6.488 266 HG12 VAL 35 HG12 VAL 35 0.028 0.862 -4.720 267 HG13 VAL 35 HG13 VAL 35 0.971 -0.273 -5.717 268 HG21 VAL 35 HG21 VAL 35 0.354 -1.915 -4.328 269 HG22 VAL 35 HG22 VAL 35 -1.302 -2.561 -4.230 270 HG23 VAL 35 HG23 VAL 35 -0.335 -2.813 -5.702 271 H GLY 36 H GLY 36 -4.008 0.092 -6.500 272 HA2 GLY 36 HA2 GLY 36 -3.523 2.853 -6.979 273 HA3 GLY 36 HA3 GLY 36 -4.833 1.874 -7.609 274 H CYS 37 H CYS 37 -5.905 0.971 -5.032 275 HA CYS 37 HA CYS 37 -7.670 3.046 -4.547 276 HB2 CYS 37 HB2 CYS 37 -7.563 0.391 -3.894 277 HB3 CYS 37 HB3 CYS 37 -7.277 1.126 -2.329 278 HG CYS 37 HG CYS 37 -9.876 0.487 -2.901 279 H LEU 38 H LEU 38 -4.866 1.799 -2.585 280 HA LEU 38 HA LEU 38 -5.032 3.803 -0.637 281 HB2 LEU 38 HB2 LEU 38 -2.782 3.052 -0.015 282 HB3 LEU 38 HB3 LEU 38 -3.934 1.743 -0.184 283 HG LEU 38 HG LEU 38 -2.928 1.530 -2.603 284 HD11 LEU 38 HD11 LEU 38 -0.374 2.426 -1.378 285 HD12 LEU 38 HD12 LEU 38 -0.918 2.460 -3.073 286 HD13 LEU 38 HD13 LEU 38 -1.494 3.696 -1.929 287 HD21 LEU 38 HD21 LEU 38 -2.178 0.417 -0.005 288 HD22 LEU 38 HD22 LEU 38 -2.486 -0.392 -1.561 289 HD23 LEU 38 HD23 LEU 38 -0.882 0.300 -1.219 290 H ALA 39 H ALA 39 -3.471 3.620 -3.841 291 HA ALA 39 HA ALA 39 -1.752 5.780 -3.586 292 HB1 ALA 39 HB1 ALA 39 -1.810 5.805 -6.039 293 HB2 ALA 39 HB2 ALA 39 -1.775 4.128 -5.443 294 HB3 ALA 39 HB3 ALA 39 -3.301 4.831 -6.031 295 H GLY 40 H GLY 40 -5.258 5.605 -4.407 296 HA2 GLY 40 HA2 GLY 40 -5.522 8.374 -4.996 297 HA3 GLY 40 HA3 GLY 40 -6.805 7.224 -4.677 298 H TYR 41 H TYR 41 -6.653 6.381 -2.162 299 HA TYR 41 HA TYR 41 -7.606 8.372 -0.599 300 HB2 TYR 41 HB2 TYR 41 -7.489 5.822 -0.235 301 HB3 TYR 41 HB3 TYR 41 -5.798 6.002 0.191 302 HD1 TYR 41 HD2 TYR 41 -9.211 7.150 1.212 303 HD2 TYR 41 HD1 TYR 41 -5.183 6.366 2.423 304 HE1 TYR 41 HE2 TYR 41 -9.857 7.540 3.640 305 HE2 TYR 41 HE1 TYR 41 -5.843 6.758 4.847 306 HH TYR 41 HH TYR 41 -8.048 6.548 6.167 307 H GLY 42 H GLY 42 -4.187 7.563 -1.248 308 HA2 GLY 42 HA2 GLY 42 -3.241 9.372 0.824 309 HA3 GLY 42 HA3 GLY 42 -2.281 8.377 -0.254 310 H ALA 43 H ALA 43 -3.732 9.246 -2.726 311 HA ALA 43 HA ALA 43 -2.110 11.446 -3.356 312 HB1 ALA 43 HB1 ALA 43 -4.427 10.013 -4.674 313 HB2 ALA 43 HB2 ALA 43 -3.706 11.463 -5.412 314 HB3 ALA 43 HB3 ALA 43 -2.707 10.018 -5.130 315 H TYR 44 H TYR 44 -5.269 11.127 -1.849 316 HA TYR 44 HA TYR 44 -6.371 13.590 -2.556 317 HB2 TYR 44 HB2 TYR 44 -7.544 11.679 -1.429 318 HB3 TYR 44 HB3 TYR 44 -6.468 11.800 -0.050 319 HD1 TYR 44 HD1 TYR 44 -8.358 14.454 -1.911 320 HD2 TYR 44 HD2 TYR 44 -7.771 12.388 1.789 321 HE1 TYR 44 HE1 TYR 44 -9.995 16.026 -0.765 322 HE2 TYR 44 HE2 TYR 44 -9.410 13.966 2.922 323 HH TYR 44 HH TYR 44 -11.166 15.399 2.418 324 H ARG 45 H ARG 45 -3.815 12.707 -0.262 325 HA ARG 45 HA ARG 45 -3.932 15.411 0.788 326 HB2 ARG 45 HB2 ARG 45 -3.343 12.811 1.958 327 HB3 ARG 45 HB3 ARG 45 -1.947 13.851 2.161 328 HG2 ARG 45 HG2 ARG 45 -3.388 15.614 3.175 329 HG3 ARG 45 HG3 ARG 45 -4.805 14.611 2.935 330 HD2 ARG 45 HD2 ARG 45 -4.210 13.108 4.633 331 HD3 ARG 45 HD3 ARG 45 -2.493 13.403 4.448 332 HE ARG 45 HE ARG 45 -3.424 15.845 5.332 333 HH11 ARG 45 HH22 ARG 45 -3.792 12.554 6.523 334 HH12 ARG 45 HH21 ARG 45 -3.942 13.035 8.180 335 HH21 ARG 45 HH12 ARG 45 -3.620 16.479 7.518 336 HH22 ARG 45 HH11 ARG 45 -3.843 15.282 8.750 337 H VAL 46 H VAL 46 -2.577 13.828 -1.743 338 HA VAL 46 HA VAL 46 0.176 14.519 -1.398 339 HB VAL 46 HB VAL 46 -1.551 13.351 -3.540 340 HG11 VAL 46 HG11 VAL 46 1.198 14.551 -3.967 341 HG12 VAL 46 HG12 VAL 46 0.513 13.294 -5.024 342 HG13 VAL 46 HG13 VAL 46 -0.300 14.870 -4.874 343 HG21 VAL 46 HG21 VAL 46 1.025 12.485 -2.186 344 HG22 VAL 46 HG22 VAL 46 -0.611 11.861 -1.868 345 HG23 VAL 46 HG23 VAL 46 0.166 11.560 -3.441 346 H SER 47 H SER 47 -2.535 16.398 -1.713 347 HA SER 47 HA SER 47 -2.306 18.064 -3.739 348 HB2 SER 47 HB2 SER 47 -3.763 18.157 -1.548 349 HB3 SER 47 HB3 SER 47 -2.517 19.237 -0.953 350 HG SER 47 HG SER 47 -3.229 19.991 -3.494 351 H ASN 48 H ASN 48 -1.263 20.265 -4.010 352 HA ASN 48 HA ASN 48 0.393 21.692 -3.883 353 HB2 ASN 48 HB2 ASN 48 0.588 20.537 -1.324 354 HB3 ASN 48 HB3 ASN 48 2.195 20.301 -1.981 355 HD21 ASN 48 HD21 ASN 48 3.424 21.786 -1.089 356 HD22 ASN 48 HD22 ASN 48 3.132 23.493 -1.051 357 H ASP 49 H ASP 49 2.033 18.587 -2.891 358 HA ASP 49 HA ASP 49 2.941 18.158 -5.553 359 HB2 ASP 49 HB2 ASP 49 4.538 19.864 -4.259 360 HB3 ASP 49 HB3 ASP 49 5.121 18.414 -3.467 361 H LYS 50 H LYS 50 4.084 17.476 -2.150 362 HA LYS 50 HA LYS 50 4.516 15.569 -1.104 363 HB2 LYS 50 HB2 LYS 50 1.842 15.773 -1.480 364 HB3 LYS 50 HB3 LYS 50 2.123 14.215 -2.232 365 HG2 LYS 50 HG2 LYS 50 2.503 13.200 -0.228 366 HG3 LYS 50 HG3 LYS 50 3.616 14.452 0.286 367 HD2 LYS 50 HD2 LYS 50 1.337 15.872 0.539 368 HD3 LYS 50 HD3 LYS 50 0.634 14.274 0.695 369 HE2 LYS 50 HE2 LYS 50 1.686 13.847 2.721 370 HE3 LYS 50 HE3 LYS 50 3.116 14.770 2.302 371 HZ1 LYS 50 HZ1 LYS 50 0.629 15.687 3.445 372 HZ2 LYS 50 HZ2 LYS 50 2.157 16.181 3.742 373 HZ3 LYS 50 HZ3 LYS 50 1.373 16.707 2.409 374 H ARG 51 H ARG 51 3.931 12.824 -1.777 375 HA ARG 51 HA ARG 51 6.135 12.387 -3.445 376 HB2 ARG 51 HB2 ARG 51 4.014 10.336 -2.651 377 HB3 ARG 51 HB3 ARG 51 5.685 10.014 -3.070 378 HG2 ARG 51 HG2 ARG 51 6.409 10.463 -0.957 379 HG3 ARG 51 HG3 ARG 51 5.505 11.962 -0.880 380 HD2 ARG 51 HD2 ARG 51 4.663 10.430 0.845 381 HD3 ARG 51 HD3 ARG 51 3.416 10.670 -0.363 382 HE ARG 51 HE ARG 51 4.756 8.441 -1.303 383 HH11 ARG 51 HH22 ARG 51 3.298 9.267 1.791 384 HH12 ARG 51 HH21 ARG 51 2.913 7.626 2.192 385 HH21 ARG 51 HH12 ARG 51 4.249 6.277 -0.774 386 HH22 ARG 51 HH11 ARG 51 3.457 5.914 0.723 387 H ASP 52 H ASP 52 6.102 11.079 -5.503 388 HA ASP 52 HA ASP 52 3.677 11.699 -6.994 389 HB2 ASP 52 HB2 ASP 52 6.610 11.600 -7.715 390 HB3 ASP 52 HB3 ASP 52 5.439 11.243 -8.970 391 H VAL 53 H VAL 53 6.446 9.597 -7.944 392 HA VAL 53 HA VAL 53 4.576 7.362 -8.156 393 HB VAL 53 HB VAL 53 7.362 7.684 -9.284 394 HG11 VAL 53 HG11 VAL 53 6.868 5.386 -9.261 395 HG12 VAL 53 HG12 VAL 53 5.158 5.654 -9.677 396 HG13 VAL 53 HG13 VAL 53 6.423 5.912 -10.903 397 HG21 VAL 53 HG21 VAL 53 4.691 8.587 -10.288 398 HG22 VAL 53 HG22 VAL 53 6.295 9.342 -10.457 399 HG23 VAL 53 HG23 VAL 53 5.860 7.938 -11.463 400 H LYS 54 H LYS 54 6.914 8.690 -6.059 401 HA LYS 54 HA LYS 54 8.414 6.561 -5.236 402 HB2 LYS 54 HB2 LYS 54 7.747 9.176 -4.296 403 HB3 LYS 54 HB3 LYS 54 7.623 8.073 -2.939 404 HG2 LYS 54 HG2 LYS 54 9.920 7.121 -3.725 405 HG3 LYS 54 HG3 LYS 54 10.031 8.544 -4.741 406 HD2 LYS 54 HD2 LYS 54 10.162 10.021 -2.908 407 HD3 LYS 54 HD3 LYS 54 9.350 8.914 -1.819 408 HE2 LYS 54 HE2 LYS 54 11.657 7.499 -2.596 409 HE3 LYS 54 HE3 LYS 54 12.222 9.150 -2.439 410 HZ1 LYS 54 HZ1 LYS 54 11.154 7.394 -0.414 411 HZ2 LYS 54 HZ2 LYS 54 12.350 8.500 -0.307 412 HZ3 LYS 54 HZ3 LYS 54 10.790 8.979 -0.265 413 H VAL 55 H VAL 55 5.051 7.457 -4.259 414 HA VAL 55 HA VAL 55 4.803 5.313 -2.440 415 HB VAL 55 HB VAL 55 3.491 7.387 -2.373 416 HG11 VAL 55 HG11 VAL 55 3.213 7.346 -4.977 417 HG12 VAL 55 HG12 VAL 55 1.762 6.379 -4.620 418 HG13 VAL 55 HG13 VAL 55 1.921 8.024 -3.958 419 HG21 VAL 55 HG21 VAL 55 1.543 6.411 -1.544 420 HG22 VAL 55 HG22 VAL 55 1.527 5.139 -2.789 421 HG23 VAL 55 HG23 VAL 55 2.716 5.075 -1.465 422 H SER 56 H SER 56 4.171 5.754 -5.940 423 HA SER 56 HA SER 56 2.644 3.546 -6.378 424 HB2 SER 56 HB2 SER 56 3.753 5.485 -7.946 425 HB3 SER 56 HB3 SER 56 4.770 4.133 -8.402 426 HG SER 56 HG SER 56 3.066 3.071 -9.294 427 H LEU 57 H LEU 57 6.250 3.766 -6.887 428 HA LEU 57 HA LEU 57 6.571 0.996 -7.143 429 HB2 LEU 57 HB2 LEU 57 8.114 3.302 -7.436 430 HB3 LEU 57 HB3 LEU 57 8.919 2.396 -6.170 431 HG LEU 57 HG LEU 57 9.876 1.860 -8.324 432 HD11 LEU 57 HD11 LEU 57 8.242 -0.423 -7.185 433 HD12 LEU 57 HD12 LEU 57 9.605 -0.604 -8.315 434 HD13 LEU 57 HD13 LEU 57 9.878 0.080 -6.695 435 HD21 LEU 57 HD21 LEU 57 7.206 2.021 -9.248 436 HD22 LEU 57 HD22 LEU 57 8.690 1.751 -10.193 437 HD23 LEU 57 HD23 LEU 57 7.769 0.363 -9.565 438 H PHE 58 H PHE 58 7.574 3.159 -4.393 439 HA PHE 58 HA PHE 58 8.352 1.394 -2.590 440 HB2 PHE 58 HB2 PHE 58 8.050 3.878 -2.281 441 HB3 PHE 58 HB3 PHE 58 6.310 3.672 -2.248 442 HD1 PHE 58 HD2 PHE 58 9.414 3.264 -0.361 443 HD2 PHE 58 HD1 PHE 58 5.200 2.767 -0.281 444 HE1 PHE 58 HE2 PHE 58 9.494 2.987 2.132 445 HE2 PHE 58 HE1 PHE 58 5.281 2.489 2.212 446 HZ PHE 58 HZ PHE 58 7.426 2.603 3.389 447 H THR 59 H THR 59 4.897 2.043 -3.428 448 HA THR 59 HA THR 59 3.852 0.307 -1.452 449 HB THR 59 HB THR 59 2.761 1.503 -4.050 450 HG1 THR 59 HG1 THR 59 2.448 1.978 -1.168 451 HG21 THR 59 HG21 THR 59 0.527 1.120 -2.734 452 HG22 THR 59 HG22 THR 59 1.221 -0.278 -3.591 453 HG23 THR 59 HG23 THR 59 1.436 -0.117 -1.832 454 H ALA 60 H ALA 60 4.216 -0.122 -5.040 455 HA ALA 60 HA ALA 60 3.353 -2.684 -5.218 456 HB1 ALA 60 HB1 ALA 60 5.818 -1.694 -6.679 457 HB2 ALA 60 HB2 ALA 60 4.524 -2.762 -7.276 458 HB3 ALA 60 HB3 ALA 60 4.200 -1.031 -7.014 459 H PHE 61 H PHE 61 6.564 -1.495 -4.100 460 HA PHE 61 HA PHE 61 7.671 -4.090 -3.886 461 HB2 PHE 61 HB2 PHE 61 8.422 -1.343 -3.690 462 HB3 PHE 61 HB3 PHE 61 8.699 -1.971 -2.077 463 HD1 PHE 61 HD2 PHE 61 10.154 -4.081 -1.868 464 HD2 PHE 61 HD1 PHE 61 9.994 -1.705 -5.380 465 HE1 PHE 61 HE2 PHE 61 12.348 -5.043 -2.619 466 HE2 PHE 61 HE1 PHE 61 12.188 -2.666 -6.131 467 HZ PHE 61 HZ PHE 61 13.339 -4.324 -4.741 468 H PHE 62 H PHE 62 5.823 -1.926 -1.718 469 HA PHE 62 HA PHE 62 6.413 -3.344 0.646 470 HB2 PHE 62 HB2 PHE 62 5.150 -0.977 -0.163 471 HB3 PHE 62 HB3 PHE 62 3.772 -1.952 0.308 472 HD1 PHE 62 HD2 PHE 62 7.198 -1.357 1.694 473 HD2 PHE 62 HD1 PHE 62 3.020 -1.485 2.424 474 HE1 PHE 62 HE2 PHE 62 7.601 -0.764 4.099 475 HE2 PHE 62 HE1 PHE 62 3.422 -0.892 4.830 476 HZ PHE 62 HZ PHE 62 5.708 -0.538 5.638 477 H LEU 63 H LEU 63 3.354 -3.188 -1.327 478 HA LEU 63 HA LEU 63 2.082 -5.241 0.031 479 HB2 LEU 63 HB2 LEU 63 1.661 -3.597 -2.294 480 HB3 LEU 63 HB3 LEU 63 1.184 -5.247 -2.642 481 HG LEU 63 HG LEU 63 -0.710 -3.949 -1.857 482 HD11 LEU 63 HD11 LEU 63 -1.611 -5.520 -0.407 483 HD12 LEU 63 HD12 LEU 63 -0.307 -6.427 -1.210 484 HD13 LEU 63 HD13 LEU 63 -0.065 -5.788 0.433 485 HD21 LEU 63 HD21 LEU 63 -0.090 -3.617 0.920 486 HD22 LEU 63 HD22 LEU 63 1.165 -2.819 -0.059 487 HD23 LEU 63 HD23 LEU 63 -0.548 -2.393 -0.288 488 H ALA 64 H ALA 64 4.326 -5.279 -2.778 489 HA ALA 64 HA ALA 64 3.993 -7.930 -3.498 490 HB1 ALA 64 HB1 ALA 64 6.397 -7.636 -4.339 491 HB2 ALA 64 HB2 ALA 64 5.203 -6.454 -4.927 492 HB3 ALA 64 HB3 ALA 64 6.336 -6.005 -3.630 493 H THR 65 H THR 65 6.448 -6.466 -1.247 494 HA THR 65 HA THR 65 7.566 -8.886 -0.446 495 HB THR 65 HB THR 65 7.303 -6.131 0.856 496 HG1 THR 65 HG1 THR 65 9.444 -6.034 -0.079 497 HG21 THR 65 HG21 THR 65 7.872 -8.170 2.455 498 HG22 THR 65 HG22 THR 65 9.411 -8.203 1.560 499 HG23 THR 65 HG23 THR 65 8.938 -6.744 2.465 500 H ILE 66 H ILE 66 5.193 -6.882 1.437 501 HA ILE 66 HA ILE 66 4.700 -8.583 3.446 502 HB ILE 66 HB ILE 66 2.796 -6.829 1.904 503 HG12 ILE 66 HG12 ILE 66 3.906 -6.305 4.650 504 HG13 ILE 66 HG13 ILE 66 4.883 -5.972 3.235 505 HG21 ILE 66 HG21 ILE 66 2.301 -8.602 4.257 506 HG22 ILE 66 HG22 ILE 66 1.547 -6.990 4.233 507 HG23 ILE 66 HG23 ILE 66 1.225 -8.142 2.915 508 HD11 ILE 66 HD11 ILE 66 3.503 -4.002 4.037 509 HD12 ILE 66 HD12 ILE 66 3.217 -4.444 2.336 510 HD13 ILE 66 HD13 ILE 66 2.043 -4.916 3.587 511 H MET 67 H MET 67 3.044 -8.686 0.215 512 HA MET 67 HA MET 67 1.433 -10.797 0.672 513 HB2 MET 67 HB2 MET 67 3.036 -9.984 -1.808 514 HB3 MET 67 HB3 MET 67 1.823 -11.246 -1.871 515 HG2 MET 67 HG2 MET 67 0.885 -8.745 -0.558 516 HG3 MET 67 HG3 MET 67 1.321 -8.541 -2.243 517 HE1 MET 67 HE1 MET 67 -2.014 -8.258 -1.541 518 HE2 MET 67 HE2 MET 67 -0.794 -7.815 -2.759 519 HE3 MET 67 HE3 MET 67 -2.167 -8.853 -3.211 520 H GLY 68 H GLY 68 4.636 -11.117 -1.034 521 HA2 GLY 68 HA2 GLY 68 6.093 -12.825 -1.140 522 HA3 GLY 68 HA3 GLY 68 5.702 -13.126 0.542 523 H VAL 69 H VAL 69 3.599 -13.353 -2.405 524 HA VAL 69 HA VAL 69 2.189 -15.537 -1.685 525 HB VAL 69 HB VAL 69 3.155 -14.558 -4.363 526 HG11 VAL 69 HG11 VAL 69 0.939 -16.161 -4.876 527 HG12 VAL 69 HG12 VAL 69 2.634 -16.540 -5.267 528 HG13 VAL 69 HG13 VAL 69 1.917 -17.132 -3.749 529 HG21 VAL 69 HG21 VAL 69 1.205 -13.381 -4.477 530 HG22 VAL 69 HG22 VAL 69 0.287 -14.592 -3.551 531 HG23 VAL 69 HG23 VAL 69 1.359 -13.451 -2.705 532 H ARG 70 H ARG 70 5.395 -15.498 -3.370 533 HA ARG 70 HA ARG 70 6.006 -17.974 -2.132 534 HB2 ARG 70 HB2 ARG 70 4.666 -18.375 -4.425 535 HB3 ARG 70 HB3 ARG 70 6.225 -18.039 -5.151 536 HG2 ARG 70 HG2 ARG 70 6.623 -19.858 -2.931 537 HG3 ARG 70 HG3 ARG 70 5.328 -20.484 -3.932 538 HD2 ARG 70 HD2 ARG 70 7.567 -19.463 -5.558 539 HD3 ARG 70 HD3 ARG 70 8.089 -20.712 -4.445 540 HE ARG 70 HE ARG 70 6.250 -21.044 -6.714 541 HH11 ARG 70 HH22 ARG 70 7.421 -22.420 -3.695 542 HH12 ARG 70 HH21 ARG 70 6.933 -24.033 -4.093 543 HH21 ARG 70 HH12 ARG 70 5.606 -23.172 -7.240 544 HH22 ARG 70 HH11 ARG 70 5.894 -24.464 -6.123 545 H PHE 71 H PHE 71 8.341 -18.623 -2.641 546 HA PHE 71 HA PHE 71 9.920 -16.240 -2.822 547 HB2 PHE 71 HB2 PHE 71 10.043 -18.734 -1.564 548 HB3 PHE 71 HB3 PHE 71 11.140 -18.988 -2.907 549 HD1 PHE 71 HD1 PHE 71 10.495 -16.802 0.015 550 HD2 PHE 71 HD2 PHE 71 13.328 -18.116 -2.859 551 HE1 PHE 71 HE1 PHE 71 12.325 -15.652 1.292 552 HE2 PHE 71 HE2 PHE 71 15.157 -16.966 -1.582 553 HZ PHE 71 HZ PHE 71 14.634 -15.747 0.478 554 H LYS 72 H LYS 72 10.119 -15.374 -4.867 555 HA LYS 72 HA LYS 72 11.062 -17.240 -6.932 556 HB2 LYS 72 HB2 LYS 72 8.838 -15.319 -6.957 557 HB3 LYS 72 HB3 LYS 72 9.939 -15.119 -8.305 558 HG2 LYS 72 HG2 LYS 72 9.375 -17.962 -7.769 559 HG3 LYS 72 HG3 LYS 72 7.908 -17.056 -8.082 560 HD2 LYS 72 HD2 LYS 72 8.403 -16.818 -10.294 561 HD3 LYS 72 HD3 LYS 72 10.039 -16.292 -9.954 562 HE2 LYS 72 HE2 LYS 72 9.658 -19.163 -9.384 563 HE3 LYS 72 HE3 LYS 72 9.289 -18.769 -11.051 564 HZ1 LYS 72 HZ1 LYS 72 11.435 -18.612 -11.424 565 HZ2 LYS 72 HZ2 LYS 72 11.599 -17.413 -10.327 566 HZ3 LYS 72 HZ3 LYS 72 11.779 -18.970 -9.868 567 H ARG 73 H ARG 73 12.563 -16.274 -8.524 568 HA ARG 73 HA ARG 73 14.694 -15.163 -7.427 569 HB2 ARG 73 HB2 ARG 73 14.305 -15.982 -9.861 570 HB3 ARG 73 HB3 ARG 73 13.774 -14.351 -10.223 571 HG2 ARG 73 HG2 ARG 73 15.911 -13.583 -10.310 572 HG3 ARG 73 HG3 ARG 73 16.293 -14.275 -8.746 573 HD2 ARG 73 HD2 ARG 73 16.111 -16.057 -11.201 574 HD3 ARG 73 HD3 ARG 73 17.574 -15.149 -10.877 575 HE ARG 73 HE ARG 73 16.923 -16.426 -8.452 576 HH11 ARG 73 HH22 ARG 73 17.727 -17.403 -11.735 577 HH12 ARG 73 HH21 ARG 73 18.433 -18.909 -11.250 578 HH21 ARG 73 HH12 ARG 73 17.854 -18.412 -7.812 579 HH22 ARG 73 HH11 ARG 73 18.505 -19.487 -9.004 580 H SER 74 H SER 74 12.065 -13.302 -9.130 581 HA SER 74 HA SER 74 12.591 -11.112 -7.336 582 HB2 SER 74 HB2 SER 74 13.564 -11.128 -10.037 583 HB3 SER 74 HB3 SER 74 12.237 -9.986 -9.976 584 HG SER 74 HG SER 74 14.783 -9.840 -8.810 585 H LYS 75 H LYS 75 10.707 -9.866 -6.931 586 HA LYS 75 HA LYS 75 8.276 -11.059 -7.946 587 HB2 LYS 75 HB2 LYS 75 9.031 -9.284 -5.665 588 HB3 LYS 75 HB3 LYS 75 7.390 -9.174 -6.270 589 HG2 LYS 75 HG2 LYS 75 6.988 -11.535 -5.887 590 HG3 LYS 75 HG3 LYS 75 8.688 -11.851 -5.605 591 HD2 LYS 75 HD2 LYS 75 8.589 -10.348 -3.571 592 HD3 LYS 75 HD3 LYS 75 6.867 -10.153 -3.834 593 HE2 LYS 75 HE2 LYS 75 8.148 -12.902 -3.526 594 HE3 LYS 75 HE3 LYS 75 7.597 -11.977 -2.144 595 HZ1 LYS 75 HZ1 LYS 75 5.801 -12.426 -4.398 596 HZ2 LYS 75 HZ2 LYS 75 6.001 -13.588 -3.268 597 HZ3 LYS 75 HZ3 LYS 75 5.430 -12.121 -2.837 598 H LYS 76 H LYS 76 9.251 -10.166 -10.173 599 HA LYS 76 HA LYS 76 8.094 -7.487 -10.527 600 HB2 LYS 76 HB2 LYS 76 9.704 -7.090 -12.278 601 HB3 LYS 76 HB3 LYS 76 10.546 -7.536 -10.809 602 HG2 LYS 76 HG2 LYS 76 11.485 -9.342 -11.812 603 HG3 LYS 76 HG3 LYS 76 9.919 -9.942 -12.321 604 HD2 LYS 76 HD2 LYS 76 10.315 -7.789 -14.050 605 HD3 LYS 76 HD3 LYS 76 11.941 -8.415 -13.860 606 HE2 LYS 76 HE2 LYS 76 10.253 -10.701 -14.172 607 HE3 LYS 76 HE3 LYS 76 9.717 -9.540 -15.370 608 HZ1 LYS 76 HZ1 LYS 76 11.852 -9.434 -16.271 609 HZ2 LYS 76 HZ2 LYS 76 12.551 -10.188 -15.002 610 HZ3 LYS 76 HZ3 LYS 76 11.591 -11.027 -16.022 611 H ILE 77 H ILE 77 7.674 -10.802 -11.018 612 HA ILE 77 HA ILE 77 6.058 -10.270 -13.414 613 HB ILE 77 HB ILE 77 8.042 -11.719 -13.777 614 HG12 ILE 77 HG12 ILE 77 6.336 -13.734 -14.552 615 HG13 ILE 77 HG13 ILE 77 5.237 -12.378 -14.389 616 HG21 ILE 77 HG21 ILE 77 8.243 -13.869 -12.832 617 HG22 ILE 77 HG22 ILE 77 7.904 -12.775 -11.469 618 HG23 ILE 77 HG23 ILE 77 6.610 -13.805 -12.128 619 HD11 ILE 77 HD11 ILE 77 6.102 -12.369 -16.659 620 HD12 ILE 77 HD12 ILE 77 6.831 -10.992 -15.799 621 HD13 ILE 77 HD13 ILE 77 7.779 -12.474 -16.072 622 H MET 78 H MET 78 6.367 -12.250 -10.394 623 HA MET 78 HA MET 78 3.931 -13.394 -10.392 624 HB2 MET 78 HB2 MET 78 6.032 -12.764 -8.493 625 HB3 MET 78 HB3 MET 78 4.500 -12.436 -7.709 626 HG2 MET 78 HG2 MET 78 4.525 -14.983 -9.242 627 HG3 MET 78 HG3 MET 78 5.681 -14.947 -7.925 628 HE1 MET 78 HE1 MET 78 1.958 -14.599 -8.986 629 HE2 MET 78 HE2 MET 78 2.504 -16.272 -8.715 630 HE3 MET 78 HE3 MET 78 1.259 -15.560 -7.661 631 HA PRO 79 HA PRO 79 2.098 -9.480 -8.436 632 HB2 PRO 79 HB2 PRO 79 3.571 -7.182 -8.324 633 HB3 PRO 79 HB3 PRO 79 3.446 -8.306 -6.986 634 HG2 PRO 79 HG2 PRO 79 5.708 -7.875 -8.840 635 HG3 PRO 79 HG3 PRO 79 5.707 -8.660 -7.273 636 HD2 PRO 79 HD2 PRO 79 5.790 -9.945 -9.836 637 HD3 PRO 79 HD3 PRO 79 5.672 -10.730 -8.274 638 H ALA 80 H ALA 80 1.723 -10.319 -10.888 639 HA ALA 80 HA ALA 80 2.202 -8.485 -12.904 640 HB1 ALA 80 HB1 ALA 80 0.516 -9.719 -14.126 641 HB2 ALA 80 HB2 ALA 80 1.421 -10.872 -13.116 642 HB3 ALA 80 HB3 ALA 80 -0.200 -10.332 -12.616 643 H GLY 81 H GLY 81 -0.715 -8.883 -10.774 644 HA2 GLY 81 HA2 GLY 81 -2.074 -6.633 -11.833 645 HA3 GLY 81 HA3 GLY 81 -2.426 -7.483 -10.342 646 H LEU 82 H LEU 82 -0.212 -7.165 -8.749 647 HA LEU 82 HA LEU 82 -0.513 -4.715 -7.636 648 HB2 LEU 82 HB2 LEU 82 0.548 -6.389 -6.407 649 HB3 LEU 82 HB3 LEU 82 1.754 -6.680 -7.644 650 HG LEU 82 HG LEU 82 1.924 -3.949 -6.668 651 HD11 LEU 82 HD11 LEU 82 2.358 -6.090 -4.570 652 HD12 LEU 82 HD12 LEU 82 2.572 -4.331 -4.395 653 HD13 LEU 82 HD13 LEU 82 0.944 -5.010 -4.629 654 HD21 LEU 82 HD21 LEU 82 3.669 -5.137 -7.936 655 HD22 LEU 82 HD22 LEU 82 4.264 -4.523 -6.375 656 HD23 LEU 82 HD23 LEU 82 3.891 -6.253 -6.567 657 H VAL 83 H VAL 83 2.517 -5.533 -9.456 658 HA VAL 83 HA VAL 83 3.382 -2.980 -9.799 659 HB VAL 83 HB VAL 83 3.663 -5.484 -11.438 660 HG11 VAL 83 HG11 VAL 83 5.090 -2.854 -11.961 661 HG12 VAL 83 HG12 VAL 83 5.411 -4.408 -12.768 662 HG13 VAL 83 HG13 VAL 83 3.848 -3.588 -13.003 663 HG21 VAL 83 HG21 VAL 83 5.144 -5.919 -9.821 664 HG22 VAL 83 HG22 VAL 83 6.144 -4.606 -10.488 665 HG23 VAL 83 HG23 VAL 83 5.006 -4.272 -9.160 666 H ALA 84 H ALA 84 1.337 -4.886 -12.125 667 HA ALA 84 HA ALA 84 0.995 -3.070 -14.074 668 HB1 ALA 84 HB1 ALA 84 -0.955 -5.002 -12.782 669 HB2 ALA 84 HB2 ALA 84 -1.365 -4.076 -14.245 670 HB3 ALA 84 HB3 ALA 84 -0.002 -5.220 -14.269 671 H GLY 85 H GLY 85 -0.379 -2.992 -10.777 672 HA2 GLY 85 HA2 GLY 85 -2.190 -0.837 -11.314 673 HA3 GLY 85 HA3 GLY 85 -1.735 -1.494 -9.754 674 H LEU 86 H LEU 86 1.071 -1.177 -9.753 675 HA LEU 86 HA LEU 86 1.334 1.442 -8.931 676 HB2 LEU 86 HB2 LEU 86 3.304 0.736 -8.221 677 HB3 LEU 86 HB3 LEU 86 2.815 -0.842 -8.805 678 HG LEU 86 HG LEU 86 3.894 -0.079 -11.058 679 HD11 LEU 86 HD11 LEU 86 5.108 1.876 -9.096 680 HD12 LEU 86 HD12 LEU 86 5.874 1.429 -10.640 681 HD13 LEU 86 HD13 LEU 86 4.281 2.223 -10.634 682 HD21 LEU 86 HD21 LEU 86 5.607 -1.444 -10.546 683 HD22 LEU 86 HD22 LEU 86 6.045 -0.530 -9.083 684 HD23 LEU 86 HD23 LEU 86 4.700 -1.695 -9.035 685 H SER 87 H SER 87 1.844 -0.069 -12.140 686 HA SER 87 HA SER 87 3.050 2.229 -13.227 687 HB2 SER 87 HB2 SER 87 3.275 -0.137 -14.108 688 HB3 SER 87 HB3 SER 87 1.621 -0.041 -14.679 689 HG SER 87 HG SER 87 3.957 1.261 -15.654 690 H LEU 88 H LEU 88 -0.247 0.724 -13.586 691 HA LEU 88 HA LEU 88 -1.386 2.612 -15.188 692 HB2 LEU 88 HB2 LEU 88 -2.196 0.384 -13.739 693 HB3 LEU 88 HB3 LEU 88 -3.187 1.680 -13.099 694 HG LEU 88 HG LEU 88 -3.092 1.753 -16.011 695 HD11 LEU 88 HD11 LEU 88 -4.233 -0.762 -14.764 696 HD12 LEU 88 HD12 LEU 88 -4.315 -0.283 -16.477 697 HD13 LEU 88 HD13 LEU 88 -2.745 -0.676 -15.737 698 HD21 LEU 88 HD21 LEU 88 -4.741 3.004 -14.854 699 HD22 LEU 88 HD22 LEU 88 -5.592 1.673 -15.674 700 HD23 LEU 88 HD23 LEU 88 -5.274 1.582 -13.925 701 H MET 89 H MET 89 -0.530 2.811 -11.749 702 HA MET 89 HA MET 89 -2.107 5.122 -11.307 703 HB2 MET 89 HB2 MET 89 -1.251 3.366 -9.585 704 HB3 MET 89 HB3 MET 89 0.316 4.142 -9.708 705 HG2 MET 89 HG2 MET 89 -1.578 6.250 -9.311 706 HG3 MET 89 HG3 MET 89 -2.021 4.984 -8.183 707 HE1 MET 89 HE1 MET 89 0.418 7.129 -9.717 708 HE2 MET 89 HE2 MET 89 1.000 7.993 -8.274 709 HE3 MET 89 HE3 MET 89 1.990 6.704 -8.999 710 H MET 90 H MET 90 1.461 4.498 -11.643 711 HA MET 90 HA MET 90 2.324 7.047 -11.385 712 HB2 MET 90 HB2 MET 90 3.901 5.210 -11.576 713 HB3 MET 90 HB3 MET 90 3.255 4.715 -13.128 714 HG2 MET 90 HG2 MET 90 4.184 7.509 -13.191 715 HG3 MET 90 HG3 MET 90 5.465 6.418 -12.701 716 HE1 MET 90 HE1 MET 90 5.324 3.693 -15.406 717 HE2 MET 90 HE2 MET 90 6.689 4.633 -14.757 718 HE3 MET 90 HE3 MET 90 5.416 4.040 -13.663 719 H ILE 91 H ILE 91 0.641 5.548 -14.130 720 HA ILE 91 HA ILE 91 1.266 7.769 -15.872 721 HB ILE 91 HB ILE 91 1.200 5.451 -16.690 722 HG12 ILE 91 HG12 ILE 91 -1.040 6.829 -18.111 723 HG13 ILE 91 HG13 ILE 91 0.491 7.672 -17.991 724 HG21 ILE 91 HG21 ILE 91 -1.718 5.626 -15.914 725 HG22 ILE 91 HG22 ILE 91 -1.081 4.433 -17.072 726 HG23 ILE 91 HG23 ILE 91 -0.502 4.436 -15.389 727 HD11 ILE 91 HD11 ILE 91 -0.227 5.432 -19.699 728 HD12 ILE 91 HD12 ILE 91 1.247 6.429 -19.724 729 HD13 ILE 91 HD13 ILE 91 1.161 4.994 -18.675 730 H LEU 92 H LEU 92 -1.471 6.456 -13.946 731 HA LEU 92 HA LEU 92 -3.392 8.248 -14.909 732 HB2 LEU 92 HB2 LEU 92 -4.429 6.580 -13.845 733 HB3 LEU 92 HB3 LEU 92 -3.103 6.305 -12.732 734 HG LEU 92 HG LEU 92 -5.013 8.632 -12.440 735 HD11 LEU 92 HD11 LEU 92 -5.371 6.334 -10.630 736 HD12 LEU 92 HD12 LEU 92 -6.573 7.390 -11.411 737 HD13 LEU 92 HD13 LEU 92 -5.849 6.041 -12.320 738 HD21 LEU 92 HD21 LEU 92 -3.915 7.638 -9.986 739 HD22 LEU 92 HD22 LEU 92 -2.596 7.932 -11.144 740 HD23 LEU 92 HD23 LEU 92 -3.732 9.241 -10.738 741 H ARG 93 H ARG 93 -0.597 8.695 -12.906 742 HA ARG 93 HA ARG 93 -1.739 11.094 -11.770 743 HB2 ARG 93 HB2 ARG 93 0.380 9.204 -11.011 744 HB3 ARG 93 HB3 ARG 93 0.968 10.853 -10.946 745 HG2 ARG 93 HG2 ARG 93 -1.576 11.039 -9.776 746 HG3 ARG 93 HG3 ARG 93 -0.988 9.492 -9.202 747 HD2 ARG 93 HD2 ARG 93 0.817 10.443 -8.040 748 HD3 ARG 93 HD3 ARG 93 0.914 11.832 -9.104 749 HE ARG 93 HE ARG 93 -0.848 11.531 -6.768 750 HH11 ARG 93 HH22 ARG 93 -0.227 13.314 -9.738 751 HH12 ARG 93 HH21 ARG 93 -1.129 14.707 -9.241 752 HH21 ARG 93 HH12 ARG 93 -2.039 13.368 -6.112 753 HH22 ARG 93 HH11 ARG 93 -2.167 14.738 -7.165 754 H LEU 94 H LEU 94 1.049 9.921 -13.767 755 HA LEU 94 HA LEU 94 2.140 12.469 -14.219 756 HB2 LEU 94 HB2 LEU 94 3.341 10.331 -14.440 757 HB3 LEU 94 HB3 LEU 94 2.372 9.932 -15.845 758 HG LEU 94 HG LEU 94 3.888 12.505 -15.904 759 HD11 LEU 94 HD11 LEU 94 5.190 9.783 -16.152 760 HD12 LEU 94 HD12 LEU 94 5.917 11.305 -16.719 761 HD13 LEU 94 HD13 LEU 94 5.577 11.072 -14.988 762 HD21 LEU 94 HD21 LEU 94 3.150 12.421 -17.993 763 HD22 LEU 94 HD22 LEU 94 4.197 11.009 -18.269 764 HD23 LEU 94 HD23 LEU 94 2.509 10.778 -17.751 765 H VAL 95 H VAL 95 -0.774 10.995 -15.286 766 HA VAL 95 HA VAL 95 -0.884 12.212 -17.856 767 HB VAL 95 HB VAL 95 -2.773 10.772 -16.030 768 HG11 VAL 95 HG11 VAL 95 -3.512 12.551 -18.331 769 HG12 VAL 95 HG12 VAL 95 -4.412 11.036 -18.082 770 HG13 VAL 95 HG13 VAL 95 -4.360 12.262 -16.793 771 HG21 VAL 95 HG21 VAL 95 -2.379 10.121 -18.920 772 HG22 VAL 95 HG22 VAL 95 -1.025 9.815 -17.805 773 HG23 VAL 95 HG23 VAL 95 -2.604 9.044 -17.521 774 H LEU 96 H LEU 96 -2.774 12.837 -14.808 775 HA LEU 96 HA LEU 96 -3.929 15.172 -15.571 776 HB2 LEU 96 HB2 LEU 96 -4.440 15.506 -13.355 777 HB3 LEU 96 HB3 LEU 96 -4.207 13.772 -13.456 778 HG LEU 96 HG LEU 96 -1.692 14.947 -12.773 779 HD11 LEU 96 HD11 LEU 96 -3.795 15.746 -10.768 780 HD12 LEU 96 HD12 LEU 96 -2.086 16.233 -10.863 781 HD13 LEU 96 HD13 LEU 96 -3.256 16.854 -12.052 782 HD21 LEU 96 HD21 LEU 96 -1.641 13.288 -11.226 783 HD22 LEU 96 HD22 LEU 96 -3.328 13.547 -10.720 784 HD23 LEU 96 HD23 LEU 96 -2.976 12.667 -12.226 785 H LEU 97 H LEU 97 -0.549 14.564 -14.660 786 HA LEU 97 HA LEU 97 1.158 15.984 -14.318 787 HB2 LEU 97 HB2 LEU 97 1.944 16.598 -16.324 788 HB3 LEU 97 HB3 LEU 97 0.583 15.646 -16.883 789 HG LEU 97 HG LEU 97 -0.558 18.132 -16.634 790 HD11 LEU 97 HD11 LEU 97 2.146 18.676 -16.411 791 HD12 LEU 97 HD12 LEU 97 1.799 18.985 -18.129 792 HD13 LEU 97 HD13 LEU 97 0.868 19.828 -16.868 793 HD21 LEU 97 HD21 LEU 97 0.727 17.602 -19.244 794 HD22 LEU 97 HD22 LEU 97 -0.255 16.276 -18.579 795 HD23 LEU 97 HD23 LEU 97 -0.982 17.881 -18.831 796 H LEU 98 H LEU 98 -1.098 16.805 -12.789 797 HA LEU 98 HA LEU 98 -2.140 18.600 -11.934 798 HB2 LEU 98 HB2 LEU 98 0.541 19.925 -11.917 799 HB3 LEU 98 HB3 LEU 98 -0.689 19.877 -10.670 800 HG LEU 98 HG LEU 98 0.316 17.209 -11.248 801 HD11 LEU 98 HD11 LEU 98 2.289 19.372 -11.095 802 HD12 LEU 98 HD12 LEU 98 2.539 18.086 -9.890 803 HD13 LEU 98 HD13 LEU 98 2.468 17.681 -11.622 804 HD21 LEU 98 HD21 LEU 98 -0.798 18.583 -9.123 805 HD22 LEU 98 HD22 LEU 98 -0.113 16.941 -9.077 806 HD23 LEU 98 HD23 LEU 98 0.890 18.338 -8.617 807 H LEU 99 H LEU 99 -2.392 18.582 -14.773 808 HA LEU 99 HA LEU 99 -1.632 20.725 -16.190 809 HB2 LEU 99 HB2 LEU 99 -3.708 18.797 -16.278 810 HB3 LEU 99 HB3 LEU 99 -4.442 20.353 -16.607 811 HG LEU 99 HG LEU 99 -1.967 19.442 -18.074 812 HD11 LEU 99 HD11 LEU 99 -4.801 18.585 -18.476 813 HD12 LEU 99 HD12 LEU 99 -3.790 18.894 -19.908 814 HD13 LEU 99 HD13 LEU 99 -3.283 17.684 -18.705 815 HD21 LEU 99 HD21 LEU 99 -4.161 21.386 -18.843 816 HD22 LEU 99 HD22 LEU 99 -2.572 21.833 -18.176 817 HD23 LEU 99 HD23 LEU 99 -2.677 21.029 -19.760 Start of MODEL 9 1 H MET 1 H1 MET 1 -19.408 20.180 -22.293 2 HA MET 1 HA MET 1 -16.535 19.825 -22.679 3 HB2 MET 1 HB2 MET 1 -18.865 19.455 -24.640 4 HB3 MET 1 HB3 MET 1 -17.188 19.470 -25.148 5 HG2 MET 1 HG2 MET 1 -16.913 17.300 -24.526 6 HG3 MET 1 HG3 MET 1 -17.488 17.637 -22.905 7 HE1 MET 1 HE1 MET 1 -19.523 17.556 -22.053 8 HE2 MET 1 HE2 MET 1 -21.027 16.890 -22.733 9 HE3 MET 1 HE3 MET 1 -19.699 15.798 -22.272 10 H ASP 2 H ASP 2 -16.244 22.063 -21.947 11 HA ASP 2 HA ASP 2 -17.479 24.046 -23.643 12 HB2 ASP 2 HB2 ASP 2 -16.654 23.941 -20.918 13 HB3 ASP 2 HB3 ASP 2 -15.562 25.075 -21.687 14 H LEU 3 H LEU 3 -14.192 23.190 -22.299 15 HA LEU 3 HA LEU 3 -13.011 24.432 -24.680 16 HB2 LEU 3 HB2 LEU 3 -12.497 24.792 -21.960 17 HB3 LEU 3 HB3 LEU 3 -11.175 23.791 -22.527 18 HG LEU 3 HG LEU 3 -11.519 25.862 -24.446 19 HD11 LEU 3 HD11 LEU 3 -10.904 27.763 -22.727 20 HD12 LEU 3 HD12 LEU 3 -12.599 27.383 -23.117 21 HD13 LEU 3 HD13 LEU 3 -11.870 26.764 -21.615 22 HD21 LEU 3 HD21 LEU 3 -9.435 24.951 -22.515 23 HD22 LEU 3 HD22 LEU 3 -9.379 25.095 -24.288 24 HD23 LEU 3 HD23 LEU 3 -9.238 26.550 -23.272 25 H ILE 4 H ILE 4 -12.454 21.679 -22.366 26 HA ILE 4 HA ILE 4 -10.691 20.241 -23.793 27 HB ILE 4 HB ILE 4 -11.184 19.397 -21.730 28 HG12 ILE 4 HG12 ILE 4 -12.934 17.450 -23.188 29 HG13 ILE 4 HG13 ILE 4 -11.287 17.674 -23.744 30 HG21 ILE 4 HG21 ILE 4 -13.081 20.144 -20.817 31 HG22 ILE 4 HG22 ILE 4 -13.933 20.180 -22.379 32 HG23 ILE 4 HG23 ILE 4 -13.820 18.659 -21.461 33 HD11 ILE 4 HD11 ILE 4 -12.249 16.250 -21.390 34 HD12 ILE 4 HD12 ILE 4 -10.618 16.263 -22.104 35 HD13 ILE 4 HD13 ILE 4 -11.082 17.510 -20.921 36 H GLY 5 H GLY 5 -14.023 18.926 -23.888 37 HA2 GLY 5 HA2 GLY 5 -15.333 18.305 -25.618 38 HA3 GLY 5 HA3 GLY 5 -14.394 19.333 -26.682 39 H PHE 6 H PHE 6 -12.066 18.473 -27.200 40 HA PHE 6 HA PHE 6 -12.400 15.894 -28.314 41 HB2 PHE 6 HB2 PHE 6 -10.950 18.098 -28.914 42 HB3 PHE 6 HB3 PHE 6 -9.745 17.337 -27.894 43 HD1 PHE 6 HD2 PHE 6 -11.736 16.903 -30.977 44 HD2 PHE 6 HD1 PHE 6 -8.439 15.525 -28.688 45 HE1 PHE 6 HE2 PHE 6 -10.967 15.513 -32.920 46 HE2 PHE 6 HE1 PHE 6 -7.670 14.135 -30.632 47 HZ PHE 6 HZ PHE 6 -8.944 14.146 -32.725 48 H GLY 7 H GLY 7 -10.251 17.236 -25.708 49 HA2 GLY 7 HA2 GLY 7 -8.786 15.092 -25.004 50 HA3 GLY 7 HA3 GLY 7 -9.457 16.223 -23.845 51 H TYR 8 H TYR 8 -12.256 15.671 -24.143 52 HA TYR 8 HA TYR 8 -12.564 13.552 -22.395 53 HB2 TYR 8 HB2 TYR 8 -14.106 15.549 -23.148 54 HB3 TYR 8 HB3 TYR 8 -14.533 14.562 -24.532 55 HD1 TYR 8 HD2 TYR 8 -15.673 12.315 -24.130 56 HD2 TYR 8 HD1 TYR 8 -15.173 15.243 -21.050 57 HE1 TYR 8 HE2 TYR 8 -17.499 11.196 -22.760 58 HE2 TYR 8 HE1 TYR 8 -17.001 14.114 -19.690 59 HH TYR 8 HH TYR 8 -18.253 11.022 -20.572 60 H ALA 9 H ALA 9 -13.417 13.644 -25.934 61 HA ALA 9 HA ALA 9 -14.026 10.926 -26.081 62 HB1 ALA 9 HB1 ALA 9 -13.646 11.357 -28.578 63 HB2 ALA 9 HB2 ALA 9 -14.831 12.410 -27.767 64 HB3 ALA 9 HB3 ALA 9 -13.195 13.017 -28.120 65 H ALA 10 H ALA 10 -10.986 12.643 -25.864 66 HA ALA 10 HA ALA 10 -9.355 10.803 -27.213 67 HB1 ALA 10 HB1 ALA 10 -7.615 12.108 -26.410 68 HB2 ALA 10 HB2 ALA 10 -8.970 13.251 -26.255 69 HB3 ALA 10 HB3 ALA 10 -8.391 12.360 -24.828 70 H LEU 11 H LEU 11 -9.727 11.291 -23.624 71 HA LEU 11 HA LEU 11 -8.473 8.933 -22.923 72 HB2 LEU 11 HB2 LEU 11 -9.207 9.351 -20.765 73 HB3 LEU 11 HB3 LEU 11 -9.065 10.935 -21.501 74 HG LEU 11 HG LEU 11 -11.638 10.623 -21.986 75 HD11 LEU 11 HD11 LEU 11 -11.099 8.246 -20.572 76 HD12 LEU 11 HD12 LEU 11 -12.019 9.291 -19.463 77 HD13 LEU 11 HD13 LEU 11 -12.681 8.895 -21.067 78 HD21 LEU 11 HD21 LEU 11 -12.013 12.115 -20.321 79 HD22 LEU 11 HD22 LEU 11 -11.123 11.163 -19.108 80 HD23 LEU 11 HD23 LEU 11 -10.233 12.147 -20.295 81 H VAL 12 H VAL 12 -11.894 9.608 -23.788 82 HA VAL 12 HA VAL 12 -12.983 7.195 -23.003 83 HB VAL 12 HB VAL 12 -13.659 9.008 -25.326 84 HG11 VAL 12 HG11 VAL 12 -14.691 6.432 -24.712 85 HG12 VAL 12 HG12 VAL 12 -15.937 7.621 -24.261 86 HG13 VAL 12 HG13 VAL 12 -15.283 7.601 -25.917 87 HG21 VAL 12 HG21 VAL 12 -15.351 9.001 -22.907 88 HG22 VAL 12 HG22 VAL 12 -13.698 9.614 -22.658 89 HG23 VAL 12 HG23 VAL 12 -14.749 10.360 -23.887 90 H THR 13 H THR 13 -11.423 8.135 -26.135 91 HA THR 13 HA THR 13 -11.794 5.630 -27.356 92 HB THR 13 HB THR 13 -9.822 7.932 -27.784 93 HG1 THR 13 HG1 THR 13 -12.252 6.929 -29.094 94 HG21 THR 13 HG21 THR 13 -10.640 5.911 -29.895 95 HG22 THR 13 HG22 THR 13 -9.230 6.998 -29.876 96 HG23 THR 13 HG23 THR 13 -9.253 5.552 -28.839 97 H PHE 14 H PHE 14 -9.259 6.918 -25.186 98 HA PHE 14 HA PHE 14 -7.412 4.877 -25.616 99 HB2 PHE 14 HB2 PHE 14 -7.422 7.210 -24.294 100 HB3 PHE 14 HB3 PHE 14 -7.975 6.246 -22.940 101 HD1 PHE 14 HD1 PHE 14 -5.218 6.463 -25.430 102 HD2 PHE 14 HD2 PHE 14 -6.428 5.163 -21.576 103 HE1 PHE 14 HE1 PHE 14 -2.842 5.866 -24.885 104 HE2 PHE 14 HE2 PHE 14 -4.052 4.566 -21.031 105 HZ PHE 14 HZ PHE 14 -2.287 4.925 -22.692 106 H GLY 15 H GLY 15 -9.931 5.268 -23.021 107 HA2 GLY 15 HA2 GLY 15 -9.418 2.774 -21.802 108 HA3 GLY 15 HA3 GLY 15 -10.845 3.773 -21.611 109 H SER 16 H SER 16 -11.283 3.769 -24.657 110 HA SER 16 HA SER 16 -13.023 1.590 -24.670 111 HB2 SER 16 HB2 SER 16 -12.519 3.901 -26.260 112 HB3 SER 16 HB3 SER 16 -12.396 2.536 -27.352 113 HG SER 16 HG SER 16 -14.597 2.649 -25.519 114 H ILE 17 H ILE 17 -9.909 2.263 -26.423 115 HA ILE 17 HA ILE 17 -9.837 -0.283 -27.648 116 HB ILE 17 HB ILE 17 -7.699 1.797 -27.179 117 HG12 ILE 17 HG12 ILE 17 -9.280 1.219 -29.696 118 HG13 ILE 17 HG13 ILE 17 -9.737 2.450 -28.535 119 HG21 ILE 17 HG21 ILE 17 -6.909 -0.601 -27.584 120 HG22 ILE 17 HG22 ILE 17 -7.589 -0.421 -29.219 121 HG23 ILE 17 HG23 ILE 17 -6.290 0.665 -28.671 122 HD11 ILE 17 HD11 ILE 17 -6.881 2.598 -29.282 123 HD12 ILE 17 HD12 ILE 17 -7.984 2.817 -30.662 124 HD13 ILE 17 HD13 ILE 17 -8.112 3.883 -29.242 125 H PHE 18 H PHE 18 -7.777 1.129 -25.000 126 HA PHE 18 HA PHE 18 -6.423 -1.059 -24.268 127 HB2 PHE 18 HB2 PHE 18 -6.828 1.458 -23.299 128 HB3 PHE 18 HB3 PHE 18 -7.826 0.603 -22.140 129 HD1 PHE 18 HD2 PHE 18 -4.392 1.003 -23.406 130 HD2 PHE 18 HD1 PHE 18 -6.848 -0.722 -20.406 131 HE1 PHE 18 HE2 PHE 18 -2.353 0.468 -22.043 132 HE2 PHE 18 HE1 PHE 18 -4.809 -1.257 -19.043 133 HZ PHE 18 HZ PHE 18 -2.585 -0.655 -19.878 134 H GLY 19 H GLY 19 -9.743 -0.188 -23.073 135 HA2 GLY 19 HA2 GLY 19 -11.316 -1.422 -22.041 136 HA3 GLY 19 HA3 GLY 19 -10.808 -2.718 -23.106 137 H TYR 20 H TYR 20 -9.096 -1.039 -20.374 138 HA TYR 20 HA TYR 20 -7.799 -1.984 -18.786 139 HB2 TYR 20 HB2 TYR 20 -9.352 -3.122 -17.137 140 HB3 TYR 20 HB3 TYR 20 -10.105 -1.701 -17.831 141 HD1 TYR 20 HD1 TYR 20 -11.807 -1.989 -19.690 142 HD2 TYR 20 HD2 TYR 20 -10.310 -5.286 -17.411 143 HE1 TYR 20 HE1 TYR 20 -13.783 -3.407 -20.429 144 HE2 TYR 20 HE2 TYR 20 -12.291 -6.693 -18.159 145 HH TYR 20 HH TYR 20 -14.976 -5.622 -19.179 146 H LYS 21 H LYS 21 -6.252 -3.281 -19.879 147 HA LYS 21 HA LYS 21 -6.727 -5.771 -20.951 148 HB2 LYS 21 HB2 LYS 21 -4.634 -4.163 -20.950 149 HB3 LYS 21 HB3 LYS 21 -4.120 -5.153 -19.599 150 HG2 LYS 21 HG2 LYS 21 -4.046 -7.138 -20.908 151 HG3 LYS 21 HG3 LYS 21 -5.098 -6.480 -22.145 152 HD2 LYS 21 HD2 LYS 21 -3.386 -5.187 -23.119 153 HD3 LYS 21 HD3 LYS 21 -2.451 -5.114 -21.638 154 HE2 LYS 21 HE2 LYS 21 -1.440 -7.169 -22.003 155 HE3 LYS 21 HE3 LYS 21 -2.858 -7.857 -22.768 156 HZ1 LYS 21 HZ1 LYS 21 -2.371 -6.671 -24.741 157 HZ2 LYS 21 HZ2 LYS 21 -1.167 -5.820 -24.038 158 HZ3 LYS 21 HZ3 LYS 21 -0.996 -7.425 -24.284 159 H ARG 22 H ARG 22 -5.834 -7.918 -20.062 160 HA ARG 22 HA ARG 22 -5.887 -8.129 -17.232 161 HB2 ARG 22 HB2 ARG 22 -8.374 -8.176 -18.188 162 HB3 ARG 22 HB3 ARG 22 -7.966 -9.811 -18.667 163 HG2 ARG 22 HG2 ARG 22 -8.094 -10.586 -16.527 164 HG3 ARG 22 HG3 ARG 22 -7.121 -9.268 -15.904 165 HD2 ARG 22 HD2 ARG 22 -9.914 -8.566 -16.758 166 HD3 ARG 22 HD3 ARG 22 -9.770 -9.561 -15.323 167 HE ARG 22 HE ARG 22 -7.972 -7.240 -15.328 168 HH11 ARG 22 HH22 ARG 22 -11.176 -8.421 -14.478 169 HH12 ARG 22 HH21 ARG 22 -11.452 -7.194 -13.287 170 HH21 ARG 22 HH12 ARG 22 -8.336 -5.621 -13.757 171 HH22 ARG 22 HH11 ARG 22 -9.826 -5.591 -12.874 172 H ARG 23 H ARG 23 -3.691 -8.879 -17.940 173 HA ARG 23 HA ARG 23 -3.387 -11.023 -19.655 174 HB2 ARG 23 HB2 ARG 23 -1.690 -9.279 -18.380 175 HB3 ARG 23 HB3 ARG 23 -1.408 -10.719 -17.421 176 HG2 ARG 23 HG2 ARG 23 -1.298 -11.831 -19.909 177 HG3 ARG 23 HG3 ARG 23 -0.782 -10.205 -20.310 178 HD2 ARG 23 HD2 ARG 23 0.512 -11.326 -17.871 179 HD3 ARG 23 HD3 ARG 23 0.888 -12.194 -19.346 180 HE ARG 23 HE ARG 23 1.944 -9.654 -18.619 181 HH11 ARG 23 HH22 ARG 23 0.530 -11.230 -21.429 182 HH12 ARG 23 HH21 ARG 23 1.387 -10.249 -22.571 183 HH21 ARG 23 HH12 ARG 23 3.075 -8.359 -20.124 184 HH22 ARG 23 HH11 ARG 23 2.845 -8.604 -21.823 185 H GLY 24 H GLY 24 -1.547 -12.606 -17.789 186 HA2 GLY 24 HA2 GLY 24 -3.584 -14.423 -16.803 187 HA3 GLY 24 HA3 GLY 24 -1.855 -14.693 -16.893 188 H GLY 25 H GLY 25 -2.481 -15.602 -14.619 189 HA2 GLY 25 HA2 GLY 25 -1.987 -15.398 -12.418 190 HA3 GLY 25 HA3 GLY 25 -1.542 -13.722 -12.672 191 H VAL 26 H VAL 26 -4.193 -15.975 -11.937 192 HA VAL 26 HA VAL 26 -6.326 -14.215 -12.003 193 HB VAL 26 HB VAL 26 -5.668 -16.830 -10.880 194 HG11 VAL 26 HG11 VAL 26 -7.773 -16.780 -9.396 195 HG12 VAL 26 HG12 VAL 26 -6.285 -16.045 -8.752 196 HG13 VAL 26 HG13 VAL 26 -7.578 -15.011 -9.407 197 HG21 VAL 26 HG21 VAL 26 -7.785 -17.443 -11.807 198 HG22 VAL 26 HG22 VAL 26 -8.315 -15.746 -11.885 199 HG23 VAL 26 HG23 VAL 26 -7.015 -16.322 -12.954 200 HA PRO 27 HA PRO 27 -5.164 -13.105 -7.555 201 HB2 PRO 27 HB2 PRO 27 -2.770 -13.913 -6.515 202 HB3 PRO 27 HB3 PRO 27 -4.270 -14.779 -6.252 203 HG2 PRO 27 HG2 PRO 27 -2.015 -15.477 -8.030 204 HG3 PRO 27 HG3 PRO 27 -3.302 -16.506 -7.435 205 HD2 PRO 27 HD2 PRO 27 -3.082 -15.381 -10.064 206 HD3 PRO 27 HD3 PRO 27 -4.425 -16.314 -9.432 207 H SER 28 H SER 28 -4.882 -11.590 -9.674 208 HA SER 28 HA SER 28 -2.417 -10.161 -9.042 209 HB2 SER 28 HB2 SER 28 -2.334 -11.131 -11.307 210 HB3 SER 28 HB3 SER 28 -3.871 -10.393 -11.713 211 HG SER 28 HG SER 28 -2.823 -8.617 -12.255 212 H LEU 29 H LEU 29 -5.892 -10.002 -9.963 213 HA LEU 29 HA LEU 29 -6.258 -7.310 -10.137 214 HB2 LEU 29 HB2 LEU 29 -8.568 -7.882 -9.134 215 HB3 LEU 29 HB3 LEU 29 -8.092 -8.544 -10.685 216 HG LEU 29 HG LEU 29 -7.306 -10.364 -8.590 217 HD11 LEU 29 HD11 LEU 29 -8.928 -9.837 -7.091 218 HD12 LEU 29 HD12 LEU 29 -10.009 -9.145 -8.325 219 HD13 LEU 29 HD13 LEU 29 -9.879 -10.911 -8.145 220 HD21 LEU 29 HD21 LEU 29 -8.387 -11.971 -9.926 221 HD22 LEU 29 HD22 LEU 29 -9.475 -10.764 -10.652 222 HD23 LEU 29 HD23 LEU 29 -7.744 -10.766 -11.068 223 H ILE 30 H ILE 30 -6.730 -9.255 -7.098 224 HA ILE 30 HA ILE 30 -7.123 -7.255 -5.354 225 HB ILE 30 HB ILE 30 -6.915 -9.833 -5.082 226 HG12 ILE 30 HG12 ILE 30 -7.746 -8.141 -3.416 227 HG13 ILE 30 HG13 ILE 30 -7.039 -9.590 -2.728 228 HG21 ILE 30 HG21 ILE 30 -4.319 -9.232 -3.740 229 HG22 ILE 30 HG22 ILE 30 -4.944 -10.759 -4.407 230 HG23 ILE 30 HG23 ILE 30 -4.315 -9.502 -5.499 231 HD11 ILE 30 HD11 ILE 30 -5.019 -7.495 -3.191 232 HD12 ILE 30 HD12 ILE 30 -6.321 -6.964 -2.099 233 HD13 ILE 30 HD13 ILE 30 -5.373 -8.421 -1.712 234 H ALA 31 H ALA 31 -4.028 -8.188 -6.891 235 HA ALA 31 HA ALA 31 -2.373 -6.618 -5.270 236 HB1 ALA 31 HB1 ALA 31 -0.740 -7.383 -6.664 237 HB2 ALA 31 HB2 ALA 31 -2.028 -8.462 -7.251 238 HB3 ALA 31 HB3 ALA 31 -1.652 -6.963 -8.133 239 H GLY 32 H GLY 32 -3.755 -5.960 -8.573 240 HA2 GLY 32 HA2 GLY 32 -2.871 -3.342 -8.806 241 HA3 GLY 32 HA3 GLY 32 -4.277 -4.028 -9.594 242 H LEU 33 H LEU 33 -6.095 -4.561 -7.629 243 HA LEU 33 HA LEU 33 -7.288 -2.188 -7.111 244 HB2 LEU 33 HB2 LEU 33 -8.543 -4.134 -6.890 245 HB3 LEU 33 HB3 LEU 33 -7.412 -4.866 -5.769 246 HG LEU 33 HG LEU 33 -8.317 -2.539 -4.473 247 HD11 LEU 33 HD11 LEU 33 -10.717 -4.048 -5.519 248 HD12 LEU 33 HD12 LEU 33 -10.679 -2.552 -4.555 249 HD13 LEU 33 HD13 LEU 33 -10.126 -2.535 -6.247 250 HD21 LEU 33 HD21 LEU 33 -8.808 -3.975 -2.780 251 HD22 LEU 33 HD22 LEU 33 -9.592 -5.160 -3.853 252 HD23 LEU 33 HD23 LEU 33 -7.816 -5.063 -3.779 253 H PHE 34 H PHE 34 -5.420 -4.079 -4.625 254 HA PHE 34 HA PHE 34 -5.413 -2.259 -2.643 255 HB2 PHE 34 HB2 PHE 34 -4.167 -4.649 -3.260 256 HB3 PHE 34 HB3 PHE 34 -2.787 -3.574 -3.371 257 HD1 PHE 34 HD2 PHE 34 -2.471 -1.956 -1.310 258 HD2 PHE 34 HD1 PHE 34 -4.699 -5.566 -1.204 259 HE1 PHE 34 HE2 PHE 34 -2.195 -2.053 1.182 260 HE2 PHE 34 HE1 PHE 34 -4.422 -5.663 1.288 261 HZ PHE 34 HZ PHE 34 -3.174 -3.906 2.452 262 H VAL 35 H VAL 35 -2.834 -2.493 -5.205 263 HA VAL 35 HA VAL 35 -1.309 -0.386 -4.479 264 HB VAL 35 HB VAL 35 -2.111 -1.446 -7.182 265 HG11 VAL 35 HG11 VAL 35 -1.486 0.903 -7.493 266 HG12 VAL 35 HG12 VAL 35 0.029 0.630 -6.600 267 HG13 VAL 35 HG13 VAL 35 -0.242 -0.181 -8.161 268 HG21 VAL 35 HG21 VAL 35 0.222 -1.833 -5.309 269 HG22 VAL 35 HG22 VAL 35 -0.830 -3.052 -6.067 270 HG23 VAL 35 HG23 VAL 35 0.372 -2.180 -7.048 271 H GLY 36 H GLY 36 -4.454 -0.321 -6.226 272 HA2 GLY 36 HA2 GLY 36 -4.436 2.438 -6.819 273 HA3 GLY 36 HA3 GLY 36 -5.830 1.377 -6.757 274 H CYS 37 H CYS 37 -5.806 0.505 -4.068 275 HA CYS 37 HA CYS 37 -7.152 2.511 -2.806 276 HB2 CYS 37 HB2 CYS 37 -6.022 -0.095 -2.040 277 HB3 CYS 37 HB3 CYS 37 -6.140 1.030 -0.701 278 HG CYS 37 HG CYS 37 -8.268 -0.570 -0.864 279 H LEU 38 H LEU 38 -3.652 1.629 -2.722 280 HA LEU 38 HA LEU 38 -2.995 3.560 -0.752 281 HB2 LEU 38 HB2 LEU 38 -0.929 2.593 -2.637 282 HB3 LEU 38 HB3 LEU 38 -0.894 2.739 -0.891 283 HG LEU 38 HG LEU 38 -2.037 0.511 -2.568 284 HD11 LEU 38 HD11 LEU 38 0.235 0.150 -2.110 285 HD12 LEU 38 HD12 LEU 38 0.084 0.729 -0.433 286 HD13 LEU 38 HD13 LEU 38 -0.634 -0.830 -0.905 287 HD21 LEU 38 HD21 LEU 38 -3.773 0.431 -1.141 288 HD22 LEU 38 HD22 LEU 38 -2.587 -0.315 -0.043 289 HD23 LEU 38 HD23 LEU 38 -2.951 1.422 0.088 290 H ALA 39 H ALA 39 -3.064 3.472 -4.342 291 HA ALA 39 HA ALA 39 -1.695 5.803 -4.853 292 HB1 ALA 39 HB1 ALA 39 -3.037 5.826 -6.956 293 HB2 ALA 39 HB2 ALA 39 -2.386 4.214 -6.576 294 HB3 ALA 39 HB3 ALA 39 -4.100 4.578 -6.263 295 H GLY 40 H GLY 40 -5.144 5.283 -3.928 296 HA2 GLY 40 HA2 GLY 40 -5.893 8.012 -4.198 297 HA3 GLY 40 HA3 GLY 40 -6.768 6.742 -3.366 298 H TYR 41 H TYR 41 -5.429 5.930 -1.243 299 HA TYR 41 HA TYR 41 -5.693 7.791 0.675 300 HB2 TYR 41 HB2 TYR 41 -5.099 5.258 0.746 301 HB3 TYR 41 HB3 TYR 41 -3.435 5.709 0.432 302 HD1 TYR 41 HD2 TYR 41 -6.185 6.620 2.828 303 HD2 TYR 41 HD1 TYR 41 -2.016 5.849 2.258 304 HE1 TYR 41 HE2 TYR 41 -5.784 6.905 5.322 305 HE2 TYR 41 HE1 TYR 41 -1.629 6.138 4.754 306 HH TYR 41 HH TYR 41 -4.189 7.272 6.855 307 H GLY 42 H GLY 42 -2.846 7.319 -1.463 308 HA2 GLY 42 HA2 GLY 42 -1.271 9.276 -0.023 309 HA3 GLY 42 HA3 GLY 42 -0.831 8.398 -1.475 310 H ALA 43 H ALA 43 -3.193 9.029 -3.069 311 HA ALA 43 HA ALA 43 -2.354 11.455 -4.168 312 HB1 ALA 43 HB1 ALA 43 -4.885 9.797 -4.462 313 HB2 ALA 43 HB2 ALA 43 -4.522 11.221 -5.467 314 HB3 ALA 43 HB3 ALA 43 -3.454 9.798 -5.520 315 H TYR 44 H TYR 44 -4.317 10.721 -1.400 316 HA TYR 44 HA TYR 44 -5.778 13.215 -1.516 317 HB2 TYR 44 HB2 TYR 44 -6.580 10.918 -0.616 318 HB3 TYR 44 HB3 TYR 44 -5.398 11.073 0.668 319 HD1 TYR 44 HD1 TYR 44 -8.209 13.061 -0.840 320 HD2 TYR 44 HD2 TYR 44 -6.136 11.883 2.712 321 HE1 TYR 44 HE1 TYR 44 -9.903 14.322 0.575 322 HE2 TYR 44 HE2 TYR 44 -7.838 13.148 4.115 323 HH TYR 44 HH TYR 44 -9.465 15.341 3.425 324 H ARG 45 H ARG 45 -2.845 11.856 -0.044 325 HA ARG 45 HA ARG 45 -2.677 13.941 1.875 326 HB2 ARG 45 HB2 ARG 45 -1.285 11.443 1.262 327 HB3 ARG 45 HB3 ARG 45 -0.115 12.718 1.536 328 HG2 ARG 45 HG2 ARG 45 -1.225 13.279 3.704 329 HG3 ARG 45 HG3 ARG 45 -2.411 12.018 3.429 330 HD2 ARG 45 HD2 ARG 45 -0.803 10.271 3.678 331 HD3 ARG 45 HD3 ARG 45 0.551 11.347 3.396 332 HE ARG 45 HE ARG 45 -0.756 12.333 5.695 333 HH11 ARG 45 HH22 ARG 45 0.902 9.384 4.727 334 HH12 ARG 45 HH21 ARG 45 1.429 9.002 6.332 335 HH21 ARG 45 HH12 ARG 45 -0.060 11.829 7.813 336 HH22 ARG 45 HH11 ARG 45 0.878 10.402 8.099 337 H VAL 46 H VAL 46 -2.397 13.970 -1.418 338 HA VAL 46 HA VAL 46 0.075 15.166 -1.912 339 HB VAL 46 HB VAL 46 -2.583 15.376 -3.337 340 HG11 VAL 46 HG11 VAL 46 -0.021 16.690 -3.837 341 HG12 VAL 46 HG12 VAL 46 -0.563 15.707 -5.218 342 HG13 VAL 46 HG13 VAL 46 -1.618 16.982 -4.565 343 HG21 VAL 46 HG21 VAL 46 -1.107 13.129 -2.953 344 HG22 VAL 46 HG22 VAL 46 -2.118 13.425 -4.388 345 HG23 VAL 46 HG23 VAL 46 -0.369 13.749 -4.450 346 H SER 47 H SER 47 -2.672 16.282 -0.156 347 HA SER 47 HA SER 47 -2.134 19.042 -0.744 348 HB2 SER 47 HB2 SER 47 -4.418 17.656 -0.017 349 HB3 SER 47 HB3 SER 47 -3.958 18.387 1.508 350 HG SER 47 HG SER 47 -5.388 19.718 0.118 351 H ASN 48 H ASN 48 -0.351 16.917 0.831 352 HA ASN 48 HA ASN 48 0.429 18.856 2.813 353 HB2 ASN 48 HB2 ASN 48 -1.116 17.230 3.984 354 HB3 ASN 48 HB3 ASN 48 -0.072 15.910 3.494 355 HD21 ASN 48 HD21 ASN 48 -0.879 17.223 6.119 356 HD22 ASN 48 HD22 ASN 48 0.604 17.462 6.982 357 H ASP 49 H ASP 49 0.995 15.381 1.831 358 HA ASP 49 HA ASP 49 3.784 15.665 2.113 359 HB2 ASP 49 HB2 ASP 49 2.020 13.549 2.017 360 HB3 ASP 49 HB3 ASP 49 2.705 13.462 0.406 361 H LYS 50 H LYS 50 1.401 16.274 -0.384 362 HA LYS 50 HA LYS 50 1.505 16.745 -2.548 363 HB2 LYS 50 HB2 LYS 50 3.014 18.532 -1.213 364 HB3 LYS 50 HB3 LYS 50 4.236 17.908 -2.302 365 HG2 LYS 50 HG2 LYS 50 2.664 18.324 -4.241 366 HG3 LYS 50 HG3 LYS 50 1.519 19.038 -3.124 367 HD2 LYS 50 HD2 LYS 50 2.896 20.910 -2.686 368 HD3 LYS 50 HD3 LYS 50 4.361 20.076 -3.163 369 HE2 LYS 50 HE2 LYS 50 3.674 20.131 -5.536 370 HE3 LYS 50 HE3 LYS 50 2.127 20.833 -5.106 371 HZ1 LYS 50 HZ1 LYS 50 4.662 22.134 -4.421 372 HZ2 LYS 50 HZ2 LYS 50 3.898 22.406 -5.838 373 HZ3 LYS 50 HZ3 LYS 50 3.167 22.793 -4.430 374 H ARG 51 H ARG 51 2.444 14.079 -1.733 375 HA ARG 51 HA ARG 51 4.769 13.423 -3.070 376 HB2 ARG 51 HB2 ARG 51 3.837 11.057 -2.968 377 HB3 ARG 51 HB3 ARG 51 3.824 11.896 -1.430 378 HG2 ARG 51 HG2 ARG 51 1.358 12.627 -2.442 379 HG3 ARG 51 HG3 ARG 51 1.537 11.027 -3.134 380 HD2 ARG 51 HD2 ARG 51 1.493 11.815 -0.201 381 HD3 ARG 51 HD3 ARG 51 0.491 10.637 -1.026 382 HE ARG 51 HE ARG 51 3.288 9.895 -1.188 383 HH11 ARG 51 HH22 ARG 51 0.525 9.913 0.991 384 HH12 ARG 51 HH21 ARG 51 1.099 8.579 1.935 385 HH21 ARG 51 HH12 ARG 51 4.045 8.134 0.056 386 HH22 ARG 51 HH11 ARG 51 3.115 7.560 1.399 387 H ASP 52 H ASP 52 4.590 11.572 -4.950 388 HA ASP 52 HA ASP 52 2.531 12.313 -6.829 389 HB2 ASP 52 HB2 ASP 52 5.362 13.083 -7.034 390 HB3 ASP 52 HB3 ASP 52 4.873 12.107 -8.405 391 H VAL 53 H VAL 53 5.764 10.690 -7.186 392 HA VAL 53 HA VAL 53 4.336 8.223 -7.868 393 HB VAL 53 HB VAL 53 7.146 9.145 -8.503 394 HG11 VAL 53 HG11 VAL 53 5.624 6.659 -9.354 395 HG12 VAL 53 HG12 VAL 53 7.173 7.192 -10.050 396 HG13 VAL 53 HG13 VAL 53 7.081 6.730 -8.333 397 HG21 VAL 53 HG21 VAL 53 5.214 8.689 -10.692 398 HG22 VAL 53 HG22 VAL 53 4.840 10.073 -9.636 399 HG23 VAL 53 HG23 VAL 53 6.413 9.985 -10.466 400 H LYS 54 H LYS 54 6.022 9.794 -5.355 401 HA LYS 54 HA LYS 54 7.675 7.875 -4.321 402 HB2 LYS 54 HB2 LYS 54 6.238 10.238 -3.340 403 HB3 LYS 54 HB3 LYS 54 6.517 9.040 -2.092 404 HG2 LYS 54 HG2 LYS 54 8.579 10.034 -1.939 405 HG3 LYS 54 HG3 LYS 54 8.970 9.007 -3.304 406 HD2 LYS 54 HD2 LYS 54 8.419 10.819 -4.886 407 HD3 LYS 54 HD3 LYS 54 7.867 11.843 -3.575 408 HE2 LYS 54 HE2 LYS 54 10.456 11.100 -2.769 409 HE3 LYS 54 HE3 LYS 54 10.619 11.311 -4.501 410 HZ1 LYS 54 HZ1 LYS 54 9.108 13.342 -3.130 411 HZ2 LYS 54 HZ2 LYS 54 10.706 13.302 -2.794 412 HZ3 LYS 54 HZ3 LYS 54 10.200 13.490 -4.335 413 H VAL 55 H VAL 55 4.100 8.239 -3.896 414 HA VAL 55 HA VAL 55 3.845 6.036 -2.178 415 HB VAL 55 HB VAL 55 2.198 7.797 -2.340 416 HG11 VAL 55 HG11 VAL 55 2.584 7.759 -5.029 417 HG12 VAL 55 HG12 VAL 55 1.041 6.879 -4.910 418 HG13 VAL 55 HG13 VAL 55 1.185 8.518 -4.232 419 HG21 VAL 55 HG21 VAL 55 0.313 6.479 -2.060 420 HG22 VAL 55 HG22 VAL 55 0.744 5.387 -3.398 421 HG23 VAL 55 HG23 VAL 55 1.619 5.287 -1.851 422 H SER 56 H SER 56 4.133 6.387 -5.697 423 HA SER 56 HA SER 56 3.034 3.952 -6.403 424 HB2 SER 56 HB2 SER 56 4.104 6.093 -7.748 425 HB3 SER 56 HB3 SER 56 5.375 4.911 -7.987 426 HG SER 56 HG SER 56 3.890 3.484 -8.970 427 H LEU 57 H LEU 57 6.525 4.890 -5.934 428 HA LEU 57 HA LEU 57 7.508 2.292 -6.221 429 HB2 LEU 57 HB2 LEU 57 8.812 4.361 -6.465 430 HB3 LEU 57 HB3 LEU 57 8.674 4.656 -4.743 431 HG LEU 57 HG LEU 57 9.865 2.061 -5.645 432 HD11 LEU 57 HD11 LEU 57 11.341 4.708 -5.695 433 HD12 LEU 57 HD12 LEU 57 12.095 3.100 -5.813 434 HD13 LEU 57 HD13 LEU 57 10.983 3.658 -7.087 435 HD21 LEU 57 HD21 LEU 57 11.168 3.551 -3.501 436 HD22 LEU 57 HD22 LEU 57 9.438 3.268 -3.189 437 HD23 LEU 57 HD23 LEU 57 10.519 1.893 -3.522 438 H PHE 58 H PHE 58 6.913 4.247 -3.213 439 HA PHE 58 HA PHE 58 7.541 2.313 -1.397 440 HB2 PHE 58 HB2 PHE 58 5.675 4.683 -1.621 441 HB3 PHE 58 HB3 PHE 58 5.397 3.632 -0.246 442 HD1 PHE 58 HD1 PHE 58 8.096 5.559 -1.938 443 HD2 PHE 58 HD2 PHE 58 6.652 3.906 1.694 444 HE1 PHE 58 HE1 PHE 58 9.934 6.716 -0.680 445 HE2 PHE 58 HE2 PHE 58 8.490 5.064 2.952 446 HZ PHE 58 HZ PHE 58 10.110 6.455 1.750 447 H THR 59 H THR 59 4.659 2.588 -3.458 448 HA THR 59 HA THR 59 3.070 0.773 -1.942 449 HB THR 59 HB THR 59 2.980 2.092 -4.678 450 HG1 THR 59 HG1 THR 59 1.276 1.870 -2.295 451 HG21 THR 59 HG21 THR 59 1.804 0.180 -5.357 452 HG22 THR 59 HG22 THR 59 1.387 -0.276 -3.687 453 HG23 THR 59 HG23 THR 59 0.501 1.038 -4.499 454 H ALA 60 H ALA 60 5.005 0.446 -4.989 455 HA ALA 60 HA ALA 60 4.478 -2.245 -5.369 456 HB1 ALA 60 HB1 ALA 60 5.730 -0.363 -6.782 457 HB2 ALA 60 HB2 ALA 60 7.172 -1.098 -6.042 458 HB3 ALA 60 HB3 ALA 60 6.076 -2.091 -7.034 459 H PHE 61 H PHE 61 7.060 -0.585 -3.458 460 HA PHE 61 HA PHE 61 8.347 -2.978 -2.722 461 HB2 PHE 61 HB2 PHE 61 8.333 -0.052 -2.124 462 HB3 PHE 61 HB3 PHE 61 8.797 -1.014 -0.734 463 HD1 PHE 61 HD2 PHE 61 9.662 -0.270 -4.253 464 HD2 PHE 61 HD1 PHE 61 10.945 -1.994 -0.593 465 HE1 PHE 61 HE2 PHE 61 11.996 -0.452 -5.157 466 HE2 PHE 61 HE1 PHE 61 13.279 -2.175 -1.497 467 HZ PHE 61 HZ PHE 61 13.777 -1.402 -3.768 468 H PHE 62 H PHE 62 5.584 -1.141 -1.427 469 HA PHE 62 HA PHE 62 5.610 -2.390 1.114 470 HB2 PHE 62 HB2 PHE 62 4.498 -0.228 0.706 471 HB3 PHE 62 HB3 PHE 62 3.578 -0.891 -0.630 472 HD1 PHE 62 HD1 PHE 62 3.842 -0.674 3.013 473 HD2 PHE 62 HD2 PHE 62 1.592 -2.228 -0.232 474 HE1 PHE 62 HE1 PHE 62 1.938 -1.171 4.571 475 HE2 PHE 62 HE2 PHE 62 -0.312 -2.725 1.326 476 HZ PHE 62 HZ PHE 62 -0.116 -2.191 3.709 477 H LEU 63 H LEU 63 3.203 -2.677 -1.603 478 HA LEU 63 HA LEU 63 1.933 -4.905 -0.609 479 HB2 LEU 63 HB2 LEU 63 1.539 -3.251 -2.667 480 HB3 LEU 63 HB3 LEU 63 2.222 -4.599 -3.553 481 HG LEU 63 HG LEU 63 0.476 -6.090 -2.642 482 HD11 LEU 63 HD11 LEU 63 -1.526 -4.951 -1.554 483 HD12 LEU 63 HD12 LEU 63 -0.074 -5.167 -0.548 484 HD13 LEU 63 HD13 LEU 63 -0.442 -3.573 -1.249 485 HD21 LEU 63 HD21 LEU 63 -0.398 -3.610 -4.130 486 HD22 LEU 63 HD22 LEU 63 0.028 -5.209 -4.785 487 HD23 LEU 63 HD23 LEU 63 -1.473 -5.000 -3.851 488 H ALA 64 H ALA 64 4.967 -4.603 -2.470 489 HA ALA 64 HA ALA 64 5.221 -7.288 -3.184 490 HB1 ALA 64 HB1 ALA 64 7.703 -6.641 -3.259 491 HB2 ALA 64 HB2 ALA 64 6.596 -5.660 -4.249 492 HB3 ALA 64 HB3 ALA 64 7.192 -5.032 -2.694 493 H THR 65 H THR 65 6.925 -5.523 -0.493 494 HA THR 65 HA THR 65 7.921 -7.766 0.757 495 HB THR 65 HB THR 65 7.095 -4.988 1.713 496 HG1 THR 65 HG1 THR 65 9.050 -4.786 0.686 497 HG21 THR 65 HG21 THR 65 8.016 -5.370 3.831 498 HG22 THR 65 HG22 THR 65 7.293 -6.971 3.544 499 HG23 THR 65 HG23 THR 65 9.030 -6.714 3.255 500 H ILE 66 H ILE 66 4.849 -6.018 1.587 501 HA ILE 66 HA ILE 66 4.006 -7.673 3.569 502 HB ILE 66 HB ILE 66 2.470 -6.181 1.451 503 HG12 ILE 66 HG12 ILE 66 3.749 -4.729 2.860 504 HG13 ILE 66 HG13 ILE 66 2.065 -4.602 3.329 505 HG21 ILE 66 HG21 ILE 66 0.569 -7.122 2.089 506 HG22 ILE 66 HG22 ILE 66 1.464 -8.207 3.180 507 HG23 ILE 66 HG23 ILE 66 0.878 -6.634 3.773 508 HD11 ILE 66 HD11 ILE 66 2.749 -6.562 5.036 509 HD12 ILE 66 HD12 ILE 66 4.365 -5.851 4.810 510 HD13 ILE 66 HD13 ILE 66 3.030 -4.848 5.427 511 H MET 67 H MET 67 3.135 -8.016 0.053 512 HA MET 67 HA MET 67 1.751 -10.288 0.178 513 HB2 MET 67 HB2 MET 67 3.677 -9.082 -1.808 514 HB3 MET 67 HB3 MET 67 3.189 -10.737 -2.117 515 HG2 MET 67 HG2 MET 67 0.737 -9.694 -1.596 516 HG3 MET 67 HG3 MET 67 1.526 -8.229 -2.144 517 HE1 MET 67 HE1 MET 67 1.647 -8.326 -5.691 518 HE2 MET 67 HE2 MET 67 0.142 -8.044 -4.784 519 HE3 MET 67 HE3 MET 67 1.700 -7.507 -4.112 520 H GLY 68 H GLY 68 5.321 -10.280 -0.560 521 HA2 GLY 68 HA2 GLY 68 6.934 -11.772 -0.096 522 HA3 GLY 68 HA3 GLY 68 6.018 -12.219 1.330 523 H VAL 69 H VAL 69 4.258 -12.497 -1.670 524 HA VAL 69 HA VAL 69 3.539 -15.065 -1.434 525 HB VAL 69 HB VAL 69 4.154 -13.473 -3.925 526 HG11 VAL 69 HG11 VAL 69 3.968 -15.432 -5.022 527 HG12 VAL 69 HG12 VAL 69 3.263 -16.267 -3.618 528 HG13 VAL 69 HG13 VAL 69 2.230 -15.276 -4.675 529 HG21 VAL 69 HG21 VAL 69 1.453 -14.093 -2.709 530 HG22 VAL 69 HG22 VAL 69 2.406 -12.663 -2.245 531 HG23 VAL 69 HG23 VAL 69 1.867 -12.866 -3.929 532 H ARG 70 H ARG 70 6.321 -14.024 -3.539 533 HA ARG 70 HA ARG 70 7.854 -16.189 -2.538 534 HB2 ARG 70 HB2 ARG 70 6.240 -16.998 -4.536 535 HB3 ARG 70 HB3 ARG 70 7.478 -16.268 -5.538 536 HG2 ARG 70 HG2 ARG 70 9.158 -17.663 -4.043 537 HG3 ARG 70 HG3 ARG 70 7.740 -18.601 -3.618 538 HD2 ARG 70 HD2 ARG 70 7.436 -18.504 -6.345 539 HD3 ARG 70 HD3 ARG 70 9.183 -18.422 -6.236 540 HE ARG 70 HE ARG 70 9.236 -20.623 -5.387 541 HH11 ARG 70 HH22 ARG 70 5.926 -19.430 -5.458 542 HH12 ARG 70 HH21 ARG 70 5.225 -20.980 -5.131 543 HH21 ARG 70 HH12 ARG 70 8.312 -22.668 -4.956 544 HH22 ARG 70 HH11 ARG 70 6.591 -22.834 -4.844 545 H PHE 71 H PHE 71 9.713 -15.001 -2.170 546 HA PHE 71 HA PHE 71 10.397 -12.859 -3.968 547 HB2 PHE 71 HB2 PHE 71 10.666 -12.650 -1.505 548 HB3 PHE 71 HB3 PHE 71 11.597 -14.133 -1.441 549 HD1 PHE 71 HD1 PHE 71 11.703 -10.750 -3.013 550 HD2 PHE 71 HD2 PHE 71 13.905 -13.994 -1.391 551 HE1 PHE 71 HE1 PHE 71 13.824 -9.428 -3.247 552 HE2 PHE 71 HE2 PHE 71 16.026 -12.672 -1.624 553 HZ PHE 71 HZ PHE 71 15.960 -10.405 -2.550 554 H LYS 72 H LYS 72 10.787 -14.145 -5.931 555 HA LYS 72 HA LYS 72 13.509 -14.756 -6.235 556 HB2 LYS 72 HB2 LYS 72 12.799 -16.783 -4.945 557 HB3 LYS 72 HB3 LYS 72 11.699 -17.188 -6.247 558 HG2 LYS 72 HG2 LYS 72 13.663 -18.433 -6.747 559 HG3 LYS 72 HG3 LYS 72 13.749 -17.056 -7.828 560 HD2 LYS 72 HD2 LYS 72 14.998 -16.190 -5.425 561 HD3 LYS 72 HD3 LYS 72 15.574 -17.826 -5.675 562 HE2 LYS 72 HE2 LYS 72 17.026 -17.025 -7.223 563 HE3 LYS 72 HE3 LYS 72 15.659 -16.635 -8.248 564 HZ1 LYS 72 HZ1 LYS 72 15.509 -14.509 -7.113 565 HZ2 LYS 72 HZ2 LYS 72 16.813 -14.873 -6.198 566 HZ3 LYS 72 HZ3 LYS 72 16.971 -14.701 -7.815 567 H ARG 73 H ARG 73 10.602 -16.362 -7.676 568 HA ARG 73 HA ARG 73 10.345 -14.503 -9.718 569 HB2 ARG 73 HB2 ARG 73 12.606 -15.823 -10.241 570 HB3 ARG 73 HB3 ARG 73 11.522 -17.084 -10.793 571 HG2 ARG 73 HG2 ARG 73 10.356 -15.113 -12.142 572 HG3 ARG 73 HG3 ARG 73 11.879 -14.283 -11.892 573 HD2 ARG 73 HD2 ARG 73 12.283 -17.064 -12.787 574 HD3 ARG 73 HD3 ARG 73 11.316 -16.147 -13.925 575 HE ARG 73 HE ARG 73 14.141 -15.791 -13.400 576 HH11 ARG 73 HH22 ARG 73 11.224 -14.023 -14.266 577 HH12 ARG 73 HH21 ARG 73 12.081 -12.752 -15.073 578 HH21 ARG 73 HH12 ARG 73 15.271 -14.114 -14.464 579 HH22 ARG 73 HH11 ARG 73 14.398 -12.804 -15.186 580 H SER 74 H SER 74 8.169 -14.724 -10.130 581 HA SER 74 HA SER 74 7.082 -17.414 -9.887 582 HB2 SER 74 HB2 SER 74 6.190 -15.615 -8.352 583 HB3 SER 74 HB3 SER 74 5.615 -14.742 -9.759 584 HG SER 74 HG SER 74 4.144 -16.374 -8.500 585 H LYS 75 H LYS 75 5.003 -17.705 -11.364 586 HA LYS 75 HA LYS 75 5.852 -16.968 -14.045 587 HB2 LYS 75 HB2 LYS 75 5.029 -19.340 -13.012 588 HB3 LYS 75 HB3 LYS 75 3.505 -18.735 -13.630 589 HG2 LYS 75 HG2 LYS 75 4.177 -19.493 -15.667 590 HG3 LYS 75 HG3 LYS 75 5.273 -18.126 -15.704 591 HD2 LYS 75 HD2 LYS 75 6.920 -19.661 -14.364 592 HD3 LYS 75 HD3 LYS 75 5.871 -20.981 -14.843 593 HE2 LYS 75 HE2 LYS 75 6.464 -19.279 -17.147 594 HE3 LYS 75 HE3 LYS 75 7.952 -19.793 -16.378 595 HZ1 LYS 75 HZ1 LYS 75 7.521 -21.947 -16.833 596 HZ2 LYS 75 HZ2 LYS 75 5.897 -21.794 -16.770 597 HZ3 LYS 75 HZ3 LYS 75 6.714 -21.288 -18.091 598 H LYS 76 H LYS 76 5.048 -14.724 -12.677 599 HA LYS 76 HA LYS 76 3.576 -13.068 -12.615 600 HB2 LYS 76 HB2 LYS 76 3.571 -14.117 -15.374 601 HB3 LYS 76 HB3 LYS 76 2.190 -13.112 -14.981 602 HG2 LYS 76 HG2 LYS 76 3.458 -11.230 -15.027 603 HG3 LYS 76 HG3 LYS 76 4.597 -11.904 -13.879 604 HD2 LYS 76 HD2 LYS 76 6.065 -12.598 -15.521 605 HD3 LYS 76 HD3 LYS 76 4.784 -13.035 -16.635 606 HE2 LYS 76 HE2 LYS 76 4.570 -10.846 -17.475 607 HE3 LYS 76 HE3 LYS 76 5.193 -10.107 -16.014 608 HZ1 LYS 76 HZ1 LYS 76 6.614 -11.103 -18.273 609 HZ2 LYS 76 HZ2 LYS 76 7.067 -9.990 -17.167 610 HZ3 LYS 76 HZ3 LYS 76 7.261 -11.580 -16.851 611 H ILE 77 H ILE 77 2.648 -14.801 -10.906 612 HA ILE 77 HA ILE 77 -0.130 -15.335 -11.686 613 HB ILE 77 HB ILE 77 1.748 -16.662 -9.753 614 HG12 ILE 77 HG12 ILE 77 0.079 -18.368 -11.396 615 HG13 ILE 77 HG13 ILE 77 0.926 -17.203 -12.394 616 HG21 ILE 77 HG21 ILE 77 0.007 -16.735 -8.314 617 HG22 ILE 77 HG22 ILE 77 -1.205 -16.440 -9.584 618 HG23 ILE 77 HG23 ILE 77 -0.515 -18.067 -9.372 619 HD11 ILE 77 HD11 ILE 77 3.061 -17.942 -11.690 620 HD12 ILE 77 HD12 ILE 77 2.414 -18.699 -10.215 621 HD13 ILE 77 HD13 ILE 77 2.127 -19.453 -11.801 622 H MET 78 H MET 78 1.346 -15.020 -8.419 623 HA MET 78 HA MET 78 -0.792 -13.470 -7.535 624 HB2 MET 78 HB2 MET 78 1.604 -14.723 -6.485 625 HB3 MET 78 HB3 MET 78 1.577 -13.072 -5.898 626 HG2 MET 78 HG2 MET 78 0.192 -13.899 -4.269 627 HG3 MET 78 HG3 MET 78 -1.055 -13.781 -5.494 628 HE1 MET 78 HE1 MET 78 -0.472 -15.595 -2.884 629 HE2 MET 78 HE2 MET 78 -2.059 -15.951 -3.607 630 HE3 MET 78 HE3 MET 78 -0.913 -17.273 -3.279 631 HA PRO 79 HA PRO 79 2.262 -9.863 -7.982 632 HB2 PRO 79 HB2 PRO 79 4.586 -10.212 -9.377 633 HB3 PRO 79 HB3 PRO 79 4.490 -10.327 -7.631 634 HG2 PRO 79 HG2 PRO 79 4.741 -12.499 -9.620 635 HG3 PRO 79 HG3 PRO 79 5.066 -12.544 -7.899 636 HD2 PRO 79 HD2 PRO 79 2.761 -13.603 -9.238 637 HD3 PRO 79 HD3 PRO 79 3.033 -13.544 -7.508 638 H ALA 80 H ALA 80 3.635 -8.724 -10.134 639 HA ALA 80 HA ALA 80 3.395 -8.178 -12.302 640 HB1 ALA 80 HB1 ALA 80 2.209 -9.488 -13.808 641 HB2 ALA 80 HB2 ALA 80 2.478 -10.657 -12.493 642 HB3 ALA 80 HB3 ALA 80 0.907 -9.835 -12.646 643 H GLY 81 H GLY 81 0.171 -8.750 -10.716 644 HA2 GLY 81 HA2 GLY 81 -1.103 -6.512 -11.795 645 HA3 GLY 81 HA3 GLY 81 -1.552 -7.362 -10.330 646 H LEU 82 H LEU 82 0.884 -6.945 -8.808 647 HA LEU 82 HA LEU 82 0.302 -4.498 -7.643 648 HB2 LEU 82 HB2 LEU 82 1.335 -6.052 -6.289 649 HB3 LEU 82 HB3 LEU 82 2.555 -6.456 -7.480 650 HG LEU 82 HG LEU 82 3.689 -4.318 -7.087 651 HD11 LEU 82 HD11 LEU 82 2.798 -3.176 -4.828 652 HD12 LEU 82 HD12 LEU 82 2.271 -2.671 -6.452 653 HD13 LEU 82 HD13 LEU 82 1.250 -3.762 -5.484 654 HD21 LEU 82 HD21 LEU 82 4.506 -6.135 -5.806 655 HD22 LEU 82 HD22 LEU 82 4.378 -4.752 -4.693 656 HD23 LEU 82 HD23 LEU 82 3.147 -6.037 -4.660 657 H VAL 83 H VAL 83 3.491 -5.220 -9.204 658 HA VAL 83 HA VAL 83 4.254 -2.637 -9.561 659 HB VAL 83 HB VAL 83 4.806 -5.187 -11.046 660 HG11 VAL 83 HG11 VAL 83 6.136 -2.521 -11.638 661 HG12 VAL 83 HG12 VAL 83 6.536 -4.099 -12.359 662 HG13 VAL 83 HG13 VAL 83 4.963 -3.338 -12.698 663 HG21 VAL 83 HG21 VAL 83 6.307 -5.437 -9.418 664 HG22 VAL 83 HG22 VAL 83 7.124 -3.947 -9.948 665 HG23 VAL 83 HG23 VAL 83 5.837 -3.869 -8.720 666 H ALA 84 H ALA 84 2.299 -4.696 -11.810 667 HA ALA 84 HA ALA 84 2.097 -2.916 -13.891 668 HB1 ALA 84 HB1 ALA 84 1.337 -5.214 -14.041 669 HB2 ALA 84 HB2 ALA 84 0.106 -4.935 -12.786 670 HB3 ALA 84 HB3 ALA 84 -0.045 -4.144 -14.373 671 H GLY 85 H GLY 85 0.529 -2.918 -10.698 672 HA2 GLY 85 HA2 GLY 85 -1.483 -0.998 -11.373 673 HA3 GLY 85 HA3 GLY 85 -1.014 -1.544 -9.775 674 H LEU 86 H LEU 86 1.649 -0.884 -9.521 675 HA LEU 86 HA LEU 86 1.597 1.770 -8.866 676 HB2 LEU 86 HB2 LEU 86 3.710 1.458 -8.167 677 HB3 LEU 86 HB3 LEU 86 3.252 -0.222 -8.367 678 HG LEU 86 HG LEU 86 4.254 0.145 -10.803 679 HD11 LEU 86 HD11 LEU 86 4.689 2.530 -10.535 680 HD12 LEU 86 HD12 LEU 86 5.753 2.195 -9.148 681 HD13 LEU 86 HD13 LEU 86 6.205 1.628 -10.774 682 HD21 LEU 86 HD21 LEU 86 5.059 -1.134 -8.494 683 HD22 LEU 86 HD22 LEU 86 5.810 -1.293 -10.100 684 HD23 LEU 86 HD23 LEU 86 6.473 -0.139 -8.918 685 H SER 87 H SER 87 2.493 0.207 -11.968 686 HA SER 87 HA SER 87 3.492 2.571 -13.097 687 HB2 SER 87 HB2 SER 87 2.871 -0.192 -13.977 688 HB3 SER 87 HB3 SER 87 2.686 1.004 -15.244 689 HG SER 87 HG SER 87 5.043 0.418 -13.682 690 H LEU 88 H LEU 88 0.398 0.719 -13.636 691 HA LEU 88 HA LEU 88 -0.832 2.461 -15.325 692 HB2 LEU 88 HB2 LEU 88 -1.503 0.191 -13.831 693 HB3 LEU 88 HB3 LEU 88 -2.689 1.398 -13.374 694 HG LEU 88 HG LEU 88 -2.105 0.907 -16.283 695 HD11 LEU 88 HD11 LEU 88 -4.048 -0.731 -14.633 696 HD12 LEU 88 HD12 LEU 88 -3.772 -0.839 -16.388 697 HD13 LEU 88 HD13 LEU 88 -2.484 -1.311 -15.254 698 HD21 LEU 88 HD21 LEU 88 -3.487 2.747 -16.073 699 HD22 LEU 88 HD22 LEU 88 -4.657 1.423 -16.295 700 HD23 LEU 88 HD23 LEU 88 -4.350 2.077 -14.668 701 H MET 89 H MET 89 -0.035 2.894 -11.934 702 HA MET 89 HA MET 89 -1.950 4.958 -11.542 703 HB2 MET 89 HB2 MET 89 -0.756 3.348 -9.808 704 HB3 MET 89 HB3 MET 89 0.572 4.488 -9.886 705 HG2 MET 89 HG2 MET 89 -1.776 6.075 -9.559 706 HG3 MET 89 HG3 MET 89 -1.965 4.725 -8.457 707 HE1 MET 89 HE1 MET 89 0.145 7.263 -9.945 708 HE2 MET 89 HE2 MET 89 0.284 8.322 -8.521 709 HE3 MET 89 HE3 MET 89 1.654 7.294 -9.003 710 H MET 90 H MET 90 1.695 4.907 -11.615 711 HA MET 90 HA MET 90 2.103 7.569 -11.553 712 HB2 MET 90 HB2 MET 90 4.301 7.030 -12.268 713 HB3 MET 90 HB3 MET 90 3.730 5.471 -11.707 714 HG2 MET 90 HG2 MET 90 4.491 4.812 -13.794 715 HG3 MET 90 HG3 MET 90 2.866 5.276 -14.259 716 HE1 MET 90 HE1 MET 90 6.545 7.897 -14.315 717 HE2 MET 90 HE2 MET 90 6.271 6.348 -13.483 718 HE3 MET 90 HE3 MET 90 6.777 6.365 -15.189 719 H ILE 91 H ILE 91 0.804 5.638 -14.207 720 HA ILE 91 HA ILE 91 1.255 7.756 -16.130 721 HB ILE 91 HB ILE 91 1.457 5.245 -16.556 722 HG12 ILE 91 HG12 ILE 91 -0.025 5.764 -18.815 723 HG13 ILE 91 HG13 ILE 91 0.316 7.381 -18.233 724 HG21 ILE 91 HG21 ILE 91 -0.541 4.414 -15.567 725 HG22 ILE 91 HG22 ILE 91 -1.555 5.527 -16.516 726 HG23 ILE 91 HG23 ILE 91 -0.695 4.195 -17.327 727 HD11 ILE 91 HD11 ILE 91 2.050 5.984 -19.780 728 HD12 ILE 91 HD12 ILE 91 2.589 7.189 -18.587 729 HD13 ILE 91 HD13 ILE 91 2.612 5.457 -18.175 730 H LEU 92 H LEU 92 -1.402 6.235 -14.242 731 HA LEU 92 HA LEU 92 -3.496 7.604 -15.457 732 HB2 LEU 92 HB2 LEU 92 -4.335 5.956 -14.207 733 HB3 LEU 92 HB3 LEU 92 -3.033 6.022 -13.035 734 HG LEU 92 HG LEU 92 -5.168 8.147 -13.066 735 HD11 LEU 92 HD11 LEU 92 -5.526 5.858 -11.210 736 HD12 LEU 92 HD12 LEU 92 -6.730 6.893 -12.015 737 HD13 LEU 92 HD13 LEU 92 -5.941 5.577 -12.918 738 HD21 LEU 92 HD21 LEU 92 -3.844 7.076 -10.609 739 HD22 LEU 92 HD22 LEU 92 -2.909 8.131 -11.697 740 HD23 LEU 92 HD23 LEU 92 -4.429 8.716 -10.978 741 H ARG 93 H ARG 93 -0.947 8.674 -13.311 742 HA ARG 93 HA ARG 93 -2.466 11.019 -12.604 743 HB2 ARG 93 HB2 ARG 93 -0.101 9.596 -11.545 744 HB3 ARG 93 HB3 ARG 93 0.154 11.329 -11.612 745 HG2 ARG 93 HG2 ARG 93 -2.526 10.683 -10.589 746 HG3 ARG 93 HG3 ARG 93 -1.277 9.912 -9.632 747 HD2 ARG 93 HD2 ARG 93 -0.341 11.949 -8.942 748 HD3 ARG 93 HD3 ARG 93 -0.863 12.804 -10.380 749 HE ARG 93 HE ARG 93 -3.233 12.060 -9.067 750 HH11 ARG 93 HH22 ARG 93 -0.397 13.998 -8.302 751 HH12 ARG 93 HH21 ARG 93 -1.249 15.048 -7.219 752 HH21 ARG 93 HH12 ARG 93 -4.357 13.444 -7.639 753 HH22 ARG 93 HH11 ARG 93 -3.517 14.731 -6.839 754 H LEU 94 H LEU 94 0.767 10.172 -14.059 755 HA LEU 94 HA LEU 94 1.487 12.699 -14.851 756 HB2 LEU 94 HB2 LEU 94 2.730 10.421 -14.872 757 HB3 LEU 94 HB3 LEU 94 2.095 10.265 -16.498 758 HG LEU 94 HG LEU 94 3.282 12.864 -16.237 759 HD11 LEU 94 HD11 LEU 94 5.366 12.566 -15.380 760 HD12 LEU 94 HD12 LEU 94 4.490 11.384 -14.379 761 HD13 LEU 94 HD13 LEU 94 5.419 10.836 -15.796 762 HD21 LEU 94 HD21 LEU 94 2.906 11.230 -18.243 763 HD22 LEU 94 HD22 LEU 94 4.311 12.322 -18.226 764 HD23 LEU 94 HD23 LEU 94 4.510 10.609 -17.787 765 H VAL 95 H VAL 95 -1.058 10.620 -16.055 766 HA VAL 95 HA VAL 95 -1.232 11.586 -18.666 767 HB VAL 95 HB VAL 95 -3.071 10.265 -16.712 768 HG11 VAL 95 HG11 VAL 95 -3.920 11.350 -19.419 769 HG12 VAL 95 HG12 VAL 95 -4.859 10.206 -18.430 770 HG13 VAL 95 HG13 VAL 95 -4.540 11.850 -17.827 771 HG21 VAL 95 HG21 VAL 95 -1.225 9.270 -18.412 772 HG22 VAL 95 HG22 VAL 95 -2.694 8.387 -17.931 773 HG23 VAL 95 HG23 VAL 95 -2.649 9.265 -19.479 774 H LEU 96 H LEU 96 -3.267 12.504 -15.790 775 HA LEU 96 HA LEU 96 -4.539 14.625 -16.922 776 HB2 LEU 96 HB2 LEU 96 -5.286 15.077 -14.847 777 HB3 LEU 96 HB3 LEU 96 -4.663 13.463 -14.569 778 HG LEU 96 HG LEU 96 -2.486 15.150 -14.047 779 HD11 LEU 96 HD11 LEU 96 -3.822 17.124 -13.986 780 HD12 LEU 96 HD12 LEU 96 -5.054 16.336 -12.971 781 HD13 LEU 96 HD13 LEU 96 -3.441 16.683 -12.304 782 HD21 LEU 96 HD21 LEU 96 -4.279 13.335 -12.573 783 HD22 LEU 96 HD22 LEU 96 -2.502 13.437 -12.598 784 HD23 LEU 96 HD23 LEU 96 -3.443 14.543 -11.568 785 H LEU 97 H LEU 97 -1.173 14.372 -15.822 786 HA LEU 97 HA LEU 97 0.442 15.916 -15.643 787 HB2 LEU 97 HB2 LEU 97 0.062 15.236 -18.118 788 HB3 LEU 97 HB3 LEU 97 -0.513 16.879 -18.321 789 HG LEU 97 HG LEU 97 2.160 16.431 -17.035 790 HD11 LEU 97 HD11 LEU 97 3.279 16.340 -19.181 791 HD12 LEU 97 HD12 LEU 97 2.149 14.974 -19.027 792 HD13 LEU 97 HD13 LEU 97 1.716 16.378 -20.032 793 HD21 LEU 97 HD21 LEU 97 0.859 18.612 -18.664 794 HD22 LEU 97 HD22 LEU 97 1.502 18.680 -17.006 795 HD23 LEU 97 HD23 LEU 97 2.617 18.556 -18.388 796 H LEU 98 H LEU 98 -1.446 16.818 -13.992 797 HA LEU 98 HA LEU 98 -2.593 18.588 -13.225 798 HB2 LEU 98 HB2 LEU 98 -0.228 20.245 -13.996 799 HB3 LEU 98 HB3 LEU 98 -1.166 20.256 -12.517 800 HG LEU 98 HG LEU 98 0.386 17.781 -13.135 801 HD11 LEU 98 HD11 LEU 98 1.823 19.879 -13.633 802 HD12 LEU 98 HD12 LEU 98 1.819 20.102 -11.867 803 HD13 LEU 98 HD13 LEU 98 2.480 18.608 -12.574 804 HD21 LEU 98 HD21 LEU 98 0.179 19.241 -10.508 805 HD22 LEU 98 HD22 LEU 98 -1.143 18.211 -11.108 806 HD23 LEU 98 HD23 LEU 98 0.469 17.513 -10.820 807 H LEU 99 H LEU 99 -3.509 18.021 -15.797 808 HA LEU 99 HA LEU 99 -3.383 19.853 -17.745 809 HB2 LEU 99 HB2 LEU 99 -5.100 18.733 -18.571 810 HB3 LEU 99 HB3 LEU 99 -4.986 17.736 -17.134 811 HG LEU 99 HG LEU 99 -6.635 19.409 -16.062 812 HD11 LEU 99 HD11 LEU 99 -6.238 20.852 -18.337 813 HD12 LEU 99 HD12 LEU 99 -7.745 19.989 -18.730 814 HD13 LEU 99 HD13 LEU 99 -7.654 21.003 -17.270 815 HD21 LEU 99 HD21 LEU 99 -8.035 17.958 -18.244 816 HD22 LEU 99 HD22 LEU 99 -6.975 16.998 -17.184 817 HD23 LEU 99 HD23 LEU 99 -8.310 17.945 -16.486 Start of MODEL 10 1 H MET 1 H1 MET 1 -31.758 -3.306 29.189 2 HA MET 1 HA MET 1 -30.115 -2.629 31.263 3 HB2 MET 1 HB2 MET 1 -32.861 -1.503 31.446 4 HB3 MET 1 HB3 MET 1 -32.445 -2.477 32.843 5 HG2 MET 1 HG2 MET 1 -31.321 -0.672 33.651 6 HG3 MET 1 HG3 MET 1 -30.125 -0.944 32.400 7 HE1 MET 1 HE1 MET 1 -31.184 1.560 33.988 8 HE2 MET 1 HE2 MET 1 -31.843 2.851 32.954 9 HE3 MET 1 HE3 MET 1 -32.926 1.608 33.625 10 H ASP 2 H ASP 2 -29.604 -4.565 32.214 11 HA ASP 2 HA ASP 2 -31.681 -6.439 32.746 12 HB2 ASP 2 HB2 ASP 2 -29.471 -7.043 30.730 13 HB3 ASP 2 HB3 ASP 2 -30.415 -8.298 31.508 14 H LEU 3 H LEU 3 -30.888 -8.114 34.263 15 HA LEU 3 HA LEU 3 -28.965 -7.275 36.029 16 HB2 LEU 3 HB2 LEU 3 -30.569 -9.663 35.549 17 HB3 LEU 3 HB3 LEU 3 -29.021 -10.034 36.282 18 HG LEU 3 HG LEU 3 -30.081 -7.812 37.701 19 HD11 LEU 3 HD11 LEU 3 -32.271 -8.128 38.048 20 HD12 LEU 3 HD12 LEU 3 -32.219 -9.050 36.526 21 HD13 LEU 3 HD13 LEU 3 -32.115 -9.900 38.086 22 HD21 LEU 3 HD21 LEU 3 -29.451 -9.029 39.483 23 HD22 LEU 3 HD22 LEU 3 -30.308 -10.487 38.929 24 HD23 LEU 3 HD23 LEU 3 -28.708 -10.087 38.259 25 H ILE 4 H ILE 4 -28.613 -9.970 33.608 26 HA ILE 4 HA ILE 4 -25.985 -10.489 33.963 27 HB ILE 4 HB ILE 4 -27.090 -11.899 32.537 28 HG12 ILE 4 HG12 ILE 4 -25.881 -10.474 30.246 29 HG13 ILE 4 HG13 ILE 4 -24.808 -10.710 31.612 30 HG21 ILE 4 HG21 ILE 4 -28.991 -11.169 31.641 31 HG22 ILE 4 HG22 ILE 4 -28.434 -9.479 31.639 32 HG23 ILE 4 HG23 ILE 4 -28.013 -10.557 30.286 33 HD11 ILE 4 HD11 ILE 4 -26.459 -13.089 30.901 34 HD12 ILE 4 HD12 ILE 4 -25.257 -12.601 29.682 35 HD13 ILE 4 HD13 ILE 4 -24.737 -12.988 31.340 36 H GLY 5 H GLY 5 -26.708 -8.718 30.941 37 HA2 GLY 5 HA2 GLY 5 -25.849 -6.813 30.083 38 HA3 GLY 5 HA3 GLY 5 -25.325 -6.338 31.687 39 H PHE 6 H PHE 6 -23.470 -8.030 32.563 40 HA PHE 6 HA PHE 6 -21.233 -7.462 31.017 41 HB2 PHE 6 HB2 PHE 6 -21.697 -8.186 33.566 42 HB3 PHE 6 HB3 PHE 6 -21.483 -9.813 32.953 43 HD1 PHE 6 HD1 PHE 6 -19.287 -10.462 31.941 44 HD2 PHE 6 HD2 PHE 6 -19.834 -6.762 33.945 45 HE1 PHE 6 HE1 PHE 6 -16.800 -10.223 32.178 46 HE2 PHE 6 HE2 PHE 6 -17.346 -6.523 34.181 47 HZ PHE 6 HZ PHE 6 -15.859 -8.256 33.295 48 H GLY 7 H GLY 7 -22.818 -10.681 31.643 49 HA2 GLY 7 HA2 GLY 7 -21.283 -12.247 30.007 50 HA3 GLY 7 HA3 GLY 7 -22.983 -12.511 30.341 51 H TYR 8 H TYR 8 -24.274 -10.384 29.104 52 HA TYR 8 HA TYR 8 -24.446 -11.191 26.486 53 HB2 TYR 8 HB2 TYR 8 -25.830 -9.580 28.141 54 HB3 TYR 8 HB3 TYR 8 -24.841 -8.310 27.447 55 HD1 TYR 8 HD2 TYR 8 -25.027 -7.766 25.015 56 HD2 TYR 8 HD1 TYR 8 -27.646 -10.570 26.908 57 HE1 TYR 8 HE2 TYR 8 -26.645 -7.583 23.063 58 HE2 TYR 8 HE1 TYR 8 -29.256 -10.377 24.950 59 HH TYR 8 HH TYR 8 -28.842 -9.707 22.340 60 H ALA 9 H ALA 9 -22.780 -8.212 27.752 61 HA ALA 9 HA ALA 9 -21.744 -7.465 25.270 62 HB1 ALA 9 HB1 ALA 9 -20.164 -6.767 27.675 63 HB2 ALA 9 HB2 ALA 9 -20.929 -5.712 26.462 64 HB3 ALA 9 HB3 ALA 9 -21.899 -6.389 27.793 65 H ALA 10 H ALA 10 -20.908 -10.032 27.475 66 HA ALA 10 HA ALA 10 -18.164 -10.218 26.836 67 HB1 ALA 10 HB1 ALA 10 -18.225 -11.894 28.361 68 HB2 ALA 10 HB2 ALA 10 -19.892 -11.350 28.663 69 HB3 ALA 10 HB3 ALA 10 -19.586 -12.706 27.552 70 H LEU 11 H LEU 11 -20.950 -12.340 25.838 71 HA LEU 11 HA LEU 11 -19.550 -13.655 23.848 72 HB2 LEU 11 HB2 LEU 11 -21.608 -14.536 23.185 73 HB3 LEU 11 HB3 LEU 11 -21.725 -14.289 24.916 74 HG LEU 11 HG LEU 11 -22.805 -11.964 24.104 75 HD11 LEU 11 HD11 LEU 11 -22.527 -13.322 21.677 76 HD12 LEU 11 HD12 LEU 11 -24.250 -13.478 22.100 77 HD13 LEU 11 HD13 LEU 11 -23.500 -11.867 21.997 78 HD21 LEU 11 HD21 LEU 11 -24.988 -12.950 24.504 79 HD22 LEU 11 HD22 LEU 11 -24.323 -14.583 24.258 80 HD23 LEU 11 HD23 LEU 11 -23.794 -13.607 25.649 81 H VAL 12 H VAL 12 -21.366 -10.558 23.808 82 HA VAL 12 HA VAL 12 -21.446 -10.169 21.079 83 HB VAL 12 HB VAL 12 -21.372 -8.394 23.490 84 HG11 VAL 12 HG11 VAL 12 -20.402 -6.779 22.232 85 HG12 VAL 12 HG12 VAL 12 -20.816 -7.575 20.694 86 HG13 VAL 12 HG13 VAL 12 -22.041 -6.613 21.556 87 HG21 VAL 12 HG21 VAL 12 -23.371 -9.631 21.796 88 HG22 VAL 12 HG22 VAL 12 -23.563 -8.803 23.360 89 HG23 VAL 12 HG23 VAL 12 -23.593 -7.866 21.847 90 H THR 13 H THR 13 -18.891 -9.174 23.460 91 HA THR 13 HA THR 13 -17.177 -8.082 21.523 92 HB THR 13 HB THR 13 -16.848 -9.159 24.361 93 HG1 THR 13 HG1 THR 13 -17.312 -7.009 24.706 94 HG21 THR 13 HG21 THR 13 -14.724 -8.760 22.503 95 HG22 THR 13 HG22 THR 13 -14.797 -7.270 23.475 96 HG23 THR 13 HG23 THR 13 -14.585 -8.845 24.275 97 H PHE 14 H PHE 14 -17.718 -11.415 22.649 98 HA PHE 14 HA PHE 14 -15.348 -12.481 21.615 99 HB2 PHE 14 HB2 PHE 14 -17.479 -13.321 23.133 100 HB3 PHE 14 HB3 PHE 14 -17.980 -13.989 21.593 101 HD1 PHE 14 HD2 PHE 14 -15.465 -14.152 24.254 102 HD2 PHE 14 HD1 PHE 14 -16.788 -15.838 20.591 103 HE1 PHE 14 HE2 PHE 14 -13.982 -16.141 24.634 104 HE2 PHE 14 HE1 PHE 14 -15.305 -17.827 20.971 105 HZ PHE 14 HZ PHE 14 -13.920 -17.955 22.988 106 H GLY 15 H GLY 15 -18.703 -12.282 20.235 107 HA2 GLY 15 HA2 GLY 15 -18.005 -13.493 17.768 108 HA3 GLY 15 HA3 GLY 15 -19.456 -12.580 18.132 109 H SER 16 H SER 16 -17.721 -10.214 19.089 110 HA SER 16 HA SER 16 -17.704 -8.908 16.611 111 HB2 SER 16 HB2 SER 16 -17.678 -8.169 19.318 112 HB3 SER 16 HB3 SER 16 -16.124 -7.609 18.732 113 HG SER 16 HG SER 16 -17.853 -6.912 16.827 114 H ILE 17 H ILE 17 -15.075 -9.949 18.899 115 HA ILE 17 HA ILE 17 -13.002 -9.157 17.144 116 HB ILE 17 HB ILE 17 -13.075 -10.942 19.575 117 HG12 ILE 17 HG12 ILE 17 -13.662 -8.553 19.917 118 HG13 ILE 17 HG13 ILE 17 -12.213 -9.049 20.768 119 HG21 ILE 17 HG21 ILE 17 -10.862 -10.288 17.699 120 HG22 ILE 17 HG22 ILE 17 -10.499 -10.231 19.441 121 HG23 ILE 17 HG23 ILE 17 -11.131 -11.727 18.712 122 HD11 ILE 17 HD11 ILE 17 -12.377 -7.450 18.179 123 HD12 ILE 17 HD12 ILE 17 -11.717 -6.922 19.746 124 HD13 ILE 17 HD13 ILE 17 -10.858 -8.151 18.788 125 H PHE 18 H PHE 18 -14.197 -12.446 18.145 126 HA PHE 18 HA PHE 18 -12.704 -13.902 16.388 127 HB2 PHE 18 HB2 PHE 18 -14.509 -14.448 18.291 128 HB3 PHE 18 HB3 PHE 18 -15.659 -14.444 16.968 129 HD1 PHE 18 HD2 PHE 18 -12.594 -16.095 18.227 130 HD2 PHE 18 HD1 PHE 18 -15.874 -16.312 15.543 131 HE1 PHE 18 HE2 PHE 18 -12.023 -18.487 17.723 132 HE2 PHE 18 HE1 PHE 18 -15.303 -18.704 15.039 133 HZ PHE 18 HZ PHE 18 -13.385 -19.763 16.135 134 H GLY 19 H GLY 19 -15.813 -12.176 15.818 135 HA2 GLY 19 HA2 GLY 19 -16.188 -13.244 13.192 136 HA3 GLY 19 HA3 GLY 19 -17.044 -11.909 13.939 137 H TYR 20 H TYR 20 -15.976 -9.741 14.001 138 HA TYR 20 HA TYR 20 -15.150 -8.059 12.785 139 HB2 TYR 20 HB2 TYR 20 -13.183 -9.672 13.969 140 HB3 TYR 20 HB3 TYR 20 -12.620 -9.622 12.310 141 HD1 TYR 20 HD1 TYR 20 -14.020 -7.157 14.786 142 HD2 TYR 20 HD2 TYR 20 -10.998 -8.030 11.885 143 HE1 TYR 20 HE1 TYR 20 -12.944 -4.893 15.214 144 HE2 TYR 20 HE2 TYR 20 -9.933 -5.764 12.323 145 HH TYR 20 HH TYR 20 -9.979 -4.151 14.532 146 H LYS 21 H LYS 21 -16.731 -9.506 11.083 147 HA LYS 21 HA LYS 21 -15.664 -10.704 8.901 148 HB2 LYS 21 HB2 LYS 21 -18.095 -10.353 9.487 149 HB3 LYS 21 HB3 LYS 21 -17.967 -8.737 8.822 150 HG2 LYS 21 HG2 LYS 21 -16.821 -10.329 6.820 151 HG3 LYS 21 HG3 LYS 21 -18.123 -11.336 7.421 152 HD2 LYS 21 HD2 LYS 21 -19.458 -8.966 7.272 153 HD3 LYS 21 HD3 LYS 21 -18.260 -8.681 6.025 154 HE2 LYS 21 HE2 LYS 21 -19.012 -10.493 4.694 155 HE3 LYS 21 HE3 LYS 21 -19.768 -11.309 6.048 156 HZ1 LYS 21 HZ1 LYS 21 -21.597 -10.372 5.243 157 HZ2 LYS 21 HZ2 LYS 21 -21.095 -9.003 5.979 158 HZ3 LYS 21 HZ3 LYS 21 -20.804 -9.228 4.388 159 H ARG 22 H ARG 22 -14.433 -10.152 7.156 160 HA ARG 22 HA ARG 22 -14.392 -7.638 6.054 161 HB2 ARG 22 HB2 ARG 22 -13.228 -6.924 8.126 162 HB3 ARG 22 HB3 ARG 22 -12.039 -8.197 7.930 163 HG2 ARG 22 HG2 ARG 22 -10.814 -6.947 6.480 164 HG3 ARG 22 HG3 ARG 22 -12.215 -6.608 5.484 165 HD2 ARG 22 HD2 ARG 22 -12.709 -4.610 6.599 166 HD3 ARG 22 HD3 ARG 22 -12.026 -5.158 8.117 167 HE ARG 22 HE ARG 22 -9.929 -4.961 6.162 168 HH11 ARG 22 HH22 ARG 22 -12.040 -2.931 8.112 169 HH12 ARG 22 HH21 ARG 22 -10.932 -1.600 8.157 170 HH21 ARG 22 HH12 ARG 22 -8.467 -3.206 6.220 171 HH22 ARG 22 HH11 ARG 22 -8.886 -1.758 7.073 172 H ARG 23 H ARG 23 -14.661 -9.620 4.527 173 HA ARG 23 HA ARG 23 -12.241 -11.035 4.011 174 HB2 ARG 23 HB2 ARG 23 -15.006 -11.474 3.546 175 HB3 ARG 23 HB3 ARG 23 -14.319 -11.290 1.944 176 HG2 ARG 23 HG2 ARG 23 -12.591 -12.957 3.627 177 HG3 ARG 23 HG3 ARG 23 -14.221 -13.599 3.588 178 HD2 ARG 23 HD2 ARG 23 -13.773 -14.478 1.542 179 HD3 ARG 23 HD3 ARG 23 -13.672 -12.849 0.903 180 HE ARG 23 HE ARG 23 -11.313 -12.964 0.974 181 HH11 ARG 23 HH22 ARG 23 -12.722 -15.728 2.635 182 HH12 ARG 23 HH21 ARG 23 -11.222 -16.587 2.747 183 HH21 ARG 23 HH12 ARG 23 -9.334 -14.097 1.122 184 HH22 ARG 23 HH11 ARG 23 -9.282 -15.653 1.881 185 H GLY 24 H GLY 24 -12.623 -11.222 1.072 186 HA2 GLY 24 HA2 GLY 24 -12.373 -9.999 -0.855 187 HA3 GLY 24 HA3 GLY 24 -12.342 -8.510 0.067 188 H GLY 25 H GLY 25 -10.489 -9.349 -2.077 189 HA2 GLY 25 HA2 GLY 25 -8.280 -8.944 -2.432 190 HA3 GLY 25 HA3 GLY 25 -8.023 -8.770 -0.707 191 H VAL 26 H VAL 26 -9.400 -11.519 -2.641 192 HA VAL 26 HA VAL 26 -7.870 -13.389 -1.131 193 HB VAL 26 HB VAL 26 -10.020 -13.372 -3.110 194 HG11 VAL 26 HG11 VAL 26 -9.511 -15.839 -3.715 195 HG12 VAL 26 HG12 VAL 26 -8.659 -14.554 -4.604 196 HG13 VAL 26 HG13 VAL 26 -7.827 -15.438 -3.302 197 HG21 VAL 26 HG21 VAL 26 -10.906 -15.116 -1.751 198 HG22 VAL 26 HG22 VAL 26 -9.312 -15.473 -1.044 199 HG23 VAL 26 HG23 VAL 26 -10.143 -13.950 -0.643 200 HA PRO 27 HA PRO 27 -5.460 -13.574 -5.196 201 HB2 PRO 27 HB2 PRO 27 -5.908 -11.716 -7.148 202 HB3 PRO 27 HB3 PRO 27 -6.658 -13.299 -7.143 203 HG2 PRO 27 HG2 PRO 27 -7.856 -10.679 -6.481 204 HG3 PRO 27 HG3 PRO 27 -8.660 -12.182 -6.892 205 HD2 PRO 27 HD2 PRO 27 -8.385 -11.043 -4.273 206 HD3 PRO 27 HD3 PRO 27 -9.085 -12.600 -4.671 207 H SER 28 H SER 28 -3.857 -11.944 -6.617 208 HA SER 28 HA SER 28 -2.939 -10.180 -4.483 209 HB2 SER 28 HB2 SER 28 -1.220 -11.460 -6.649 210 HB3 SER 28 HB3 SER 28 -0.656 -10.574 -5.246 211 HG SER 28 HG SER 28 -1.483 -12.253 -3.875 212 H LEU 29 H LEU 29 -2.857 -10.700 -8.086 213 HA LEU 29 HA LEU 29 -1.987 -8.276 -8.897 214 HB2 LEU 29 HB2 LEU 29 -3.726 -8.717 -10.833 215 HB3 LEU 29 HB3 LEU 29 -2.261 -9.660 -10.643 216 HG LEU 29 HG LEU 29 -4.648 -10.709 -9.228 217 HD11 LEU 29 HD11 LEU 29 -4.477 -10.909 -12.245 218 HD12 LEU 29 HD12 LEU 29 -5.719 -11.608 -11.178 219 HD13 LEU 29 HD13 LEU 29 -5.597 -9.842 -11.365 220 HD21 LEU 29 HD21 LEU 29 -2.162 -11.663 -9.735 221 HD22 LEU 29 HD22 LEU 29 -3.582 -12.683 -9.401 222 HD23 LEU 29 HD23 LEU 29 -3.073 -12.388 -11.081 223 H ILE 30 H ILE 30 -5.513 -9.097 -8.524 224 HA ILE 30 HA ILE 30 -6.478 -6.568 -8.866 225 HB ILE 30 HB ILE 30 -7.490 -8.793 -7.095 226 HG12 ILE 30 HG12 ILE 30 -9.085 -8.715 -9.315 227 HG13 ILE 30 HG13 ILE 30 -7.535 -8.274 -10.004 228 HG21 ILE 30 HG21 ILE 30 -9.024 -6.409 -8.165 229 HG22 ILE 30 HG22 ILE 30 -9.650 -7.727 -7.146 230 HG23 ILE 30 HG23 ILE 30 -8.452 -6.587 -6.489 231 HD11 ILE 30 HD11 ILE 30 -7.012 -10.479 -10.003 232 HD12 ILE 30 HD12 ILE 30 -6.930 -10.386 -8.228 233 HD13 ILE 30 HD13 ILE 30 -8.445 -10.873 -9.024 234 H ALA 31 H ALA 31 -4.774 -7.965 -6.090 235 HA ALA 31 HA ALA 31 -5.559 -5.981 -4.233 236 HB1 ALA 31 HB1 ALA 31 -4.291 -8.414 -4.134 237 HB2 ALA 31 HB2 ALA 31 -2.929 -7.297 -3.878 238 HB3 ALA 31 HB3 ALA 31 -4.339 -7.245 -2.793 239 H GLY 32 H GLY 32 -2.955 -6.310 -6.669 240 HA2 GLY 32 HA2 GLY 32 -1.414 -4.100 -5.768 241 HA3 GLY 32 HA3 GLY 32 -1.330 -4.894 -7.329 242 H LEU 33 H LEU 33 -3.829 -4.537 -8.456 243 HA LEU 33 HA LEU 33 -3.695 -1.924 -9.377 244 HB2 LEU 33 HB2 LEU 33 -4.651 -3.517 -10.775 245 HB3 LEU 33 HB3 LEU 33 -5.732 -4.118 -9.533 246 HG LEU 33 HG LEU 33 -6.448 -1.415 -9.903 247 HD11 LEU 33 HD11 LEU 33 -6.461 -2.709 -12.615 248 HD12 LEU 33 HD12 LEU 33 -6.659 -0.997 -12.169 249 HD13 LEU 33 HD13 LEU 33 -5.055 -1.763 -12.071 250 HD21 LEU 33 HD21 LEU 33 -8.171 -2.823 -9.356 251 HD22 LEU 33 HD22 LEU 33 -8.455 -2.630 -11.102 252 HD23 LEU 33 HD23 LEU 33 -7.648 -4.093 -10.489 253 H PHE 34 H PHE 34 -5.660 -3.437 -6.772 254 HA PHE 34 HA PHE 34 -7.289 -1.217 -6.307 255 HB2 PHE 34 HB2 PHE 34 -7.441 -3.689 -5.501 256 HB3 PHE 34 HB3 PHE 34 -6.196 -3.305 -4.330 257 HD1 PHE 34 HD1 PHE 34 -9.666 -2.542 -5.343 258 HD2 PHE 34 HD2 PHE 34 -6.724 -2.187 -2.306 259 HE1 PHE 34 HE1 PHE 34 -11.424 -1.759 -3.731 260 HE2 PHE 34 HE2 PHE 34 -8.481 -1.404 -0.694 261 HZ PHE 34 HZ PHE 34 -10.810 -1.199 -1.426 262 H VAL 35 H VAL 35 -4.136 -2.257 -4.861 263 HA VAL 35 HA VAL 35 -4.007 -0.246 -2.941 264 HB VAL 35 HB VAL 35 -1.996 -1.961 -4.371 265 HG11 VAL 35 HG11 VAL 35 -1.456 0.512 -2.916 266 HG12 VAL 35 HG12 VAL 35 -0.658 -0.895 -2.173 267 HG13 VAL 35 HG13 VAL 35 -0.364 -0.507 -3.886 268 HG21 VAL 35 HG21 VAL 35 -2.376 -1.953 -1.413 269 HG22 VAL 35 HG22 VAL 35 -3.701 -2.604 -2.407 270 HG23 VAL 35 HG23 VAL 35 -2.070 -3.306 -2.529 271 H GLY 36 H GLY 36 -3.233 -0.308 -6.429 272 HA2 GLY 36 HA2 GLY 36 -1.803 2.140 -6.488 273 HA3 GLY 36 HA3 GLY 36 -2.537 1.303 -7.841 274 H CYS 37 H CYS 37 -5.265 1.231 -7.090 275 HA CYS 37 HA CYS 37 -6.094 3.740 -7.905 276 HB2 CYS 37 HB2 CYS 37 -7.299 1.387 -7.878 277 HB3 CYS 37 HB3 CYS 37 -7.938 1.952 -6.347 278 HG CYS 37 HG CYS 37 -9.558 2.328 -8.509 279 H LEU 38 H LEU 38 -6.261 2.135 -4.638 280 HA LEU 38 HA LEU 38 -7.244 4.375 -3.299 281 HB2 LEU 38 HB2 LEU 38 -7.038 3.130 -1.405 282 HB3 LEU 38 HB3 LEU 38 -7.108 1.881 -2.632 283 HG LEU 38 HG LEU 38 -4.525 1.914 -2.553 284 HD11 LEU 38 HD11 LEU 38 -4.002 2.529 0.037 285 HD12 LEU 38 HD12 LEU 38 -3.719 3.626 -1.336 286 HD13 LEU 38 HD13 LEU 38 -5.203 3.780 -0.365 287 HD21 LEU 38 HD21 LEU 38 -4.497 0.206 -0.937 288 HD22 LEU 38 HD22 LEU 38 -5.868 0.907 -0.043 289 HD23 LEU 38 HD23 LEU 38 -6.133 0.160 -1.637 290 H ALA 39 H ALA 39 -3.957 3.379 -4.259 291 HA ALA 39 HA ALA 39 -2.512 5.057 -2.590 292 HB1 ALA 39 HB1 ALA 39 -1.124 3.608 -3.684 293 HB2 ALA 39 HB2 ALA 39 -2.110 3.617 -5.167 294 HB3 ALA 39 HB3 ALA 39 -0.987 4.958 -4.836 295 H GLY 40 H GLY 40 -4.006 5.637 -5.832 296 HA2 GLY 40 HA2 GLY 40 -3.036 8.282 -6.108 297 HA3 GLY 40 HA3 GLY 40 -4.356 7.538 -6.987 298 H TYR 41 H TYR 41 -6.400 7.073 -5.404 299 HA TYR 41 HA TYR 41 -7.609 9.424 -4.883 300 HB2 TYR 41 HB2 TYR 41 -8.269 6.821 -4.746 301 HB3 TYR 41 HB3 TYR 41 -7.872 6.985 -3.048 302 HD1 TYR 41 HD2 TYR 41 -9.804 9.021 -5.555 303 HD2 TYR 41 HD1 TYR 41 -9.723 7.206 -1.681 304 HE1 TYR 41 HE2 TYR 41 -12.144 9.899 -5.087 305 HE2 TYR 41 HE1 TYR 41 -12.063 8.090 -1.226 306 HH TYR 41 HH TYR 41 -14.112 8.772 -3.035 307 H GLY 42 H GLY 42 -5.454 7.575 -2.666 308 HA2 GLY 42 HA2 GLY 42 -5.918 9.365 -0.458 309 HA3 GLY 42 HA3 GLY 42 -4.764 8.050 -0.552 310 H ALA 43 H ALA 43 -3.528 8.959 -3.107 311 HA ALA 43 HA ALA 43 -1.497 10.527 -2.060 312 HB1 ALA 43 HB1 ALA 43 -2.261 9.312 -4.584 313 HB2 ALA 43 HB2 ALA 43 -1.567 10.928 -4.858 314 HB3 ALA 43 HB3 ALA 43 -0.637 9.700 -3.965 315 H TYR 44 H TYR 44 -4.557 11.379 -3.720 316 HA TYR 44 HA TYR 44 -4.009 14.030 -4.289 317 HB2 TYR 44 HB2 TYR 44 -6.299 12.162 -3.820 318 HB3 TYR 44 HB3 TYR 44 -6.715 13.825 -3.458 319 HD1 TYR 44 HD1 TYR 44 -6.427 15.587 -5.273 320 HD2 TYR 44 HD2 TYR 44 -6.160 11.391 -6.064 321 HE1 TYR 44 HE1 TYR 44 -6.813 16.022 -7.748 322 HE2 TYR 44 HE2 TYR 44 -6.546 11.840 -8.536 323 HH TYR 44 HH TYR 44 -7.845 14.471 -9.707 324 H ARG 45 H ARG 45 -4.749 12.427 -1.203 325 HA ARG 45 HA ARG 45 -4.962 15.054 0.011 326 HB2 ARG 45 HB2 ARG 45 -6.643 12.973 0.352 327 HB3 ARG 45 HB3 ARG 45 -5.458 12.502 1.554 328 HG2 ARG 45 HG2 ARG 45 -6.013 15.346 1.823 329 HG3 ARG 45 HG3 ARG 45 -7.527 14.462 1.812 330 HD2 ARG 45 HD2 ARG 45 -6.745 13.000 3.640 331 HD3 ARG 45 HD3 ARG 45 -5.153 13.729 3.592 332 HE ARG 45 HE ARG 45 -5.983 15.614 4.734 333 HH11 ARG 45 HH22 ARG 45 -8.655 13.600 3.647 334 HH12 ARG 45 HH21 ARG 45 -9.845 14.462 4.563 335 HH21 ARG 45 HH12 ARG 45 -7.553 16.752 5.944 336 HH22 ARG 45 HH11 ARG 45 -9.214 16.267 5.879 337 H VAL 46 H VAL 46 -2.913 12.267 -0.416 338 HA VAL 46 HA VAL 46 -1.472 12.433 2.009 339 HB VAL 46 HB VAL 46 -1.674 10.684 -0.083 340 HG11 VAL 46 HG11 VAL 46 1.084 11.950 -0.242 341 HG12 VAL 46 HG12 VAL 46 0.576 10.453 -1.060 342 HG13 VAL 46 HG13 VAL 46 -0.175 12.006 -1.498 343 HG21 VAL 46 HG21 VAL 46 0.764 10.446 1.618 344 HG22 VAL 46 HG22 VAL 46 -0.802 10.585 2.452 345 HG23 VAL 46 HG23 VAL 46 -0.527 9.266 1.288 346 H SER 47 H SER 47 -1.700 14.498 -0.723 347 HA SER 47 HA SER 47 0.705 15.357 -1.334 348 HB2 SER 47 HB2 SER 47 -1.349 16.412 -2.163 349 HB3 SER 47 HB3 SER 47 -1.689 17.090 -0.583 350 HG SER 47 HG SER 47 0.204 18.416 -0.762 351 H ASN 48 H ASN 48 2.431 16.543 -0.434 352 HA ASN 48 HA ASN 48 2.401 18.197 1.651 353 HB2 ASN 48 HB2 ASN 48 1.887 15.521 2.617 354 HB3 ASN 48 HB3 ASN 48 3.496 15.966 3.151 355 HD21 ASN 48 HD21 ASN 48 2.417 15.810 5.256 356 HD22 ASN 48 HD22 ASN 48 1.628 17.205 5.913 357 H ASP 49 H ASP 49 4.219 15.046 1.344 358 HA ASP 49 HA ASP 49 6.692 16.389 1.378 359 HB2 ASP 49 HB2 ASP 49 5.756 13.744 1.703 360 HB3 ASP 49 HB3 ASP 49 6.738 13.666 0.254 361 H LYS 50 H LYS 50 4.292 15.808 -1.014 362 HA LYS 50 HA LYS 50 4.281 16.469 -3.156 363 HB2 LYS 50 HB2 LYS 50 6.672 17.576 -2.384 364 HB3 LYS 50 HB3 LYS 50 7.188 16.486 -3.656 365 HG2 LYS 50 HG2 LYS 50 6.655 18.461 -4.840 366 HG3 LYS 50 HG3 LYS 50 5.221 17.478 -5.057 367 HD2 LYS 50 HD2 LYS 50 3.961 18.729 -3.473 368 HD3 LYS 50 HD3 LYS 50 5.393 19.388 -2.707 369 HE2 LYS 50 HE2 LYS 50 5.820 20.469 -5.110 370 HE3 LYS 50 HE3 LYS 50 4.103 20.196 -5.324 371 HZ1 LYS 50 HZ1 LYS 50 5.194 21.580 -2.979 372 HZ2 LYS 50 HZ2 LYS 50 4.737 22.365 -4.336 373 HZ3 LYS 50 HZ3 LYS 50 3.636 21.527 -3.468 374 H ARG 51 H ARG 51 4.379 13.762 -1.957 375 HA ARG 51 HA ARG 51 5.956 12.124 -3.553 376 HB2 ARG 51 HB2 ARG 51 3.314 11.404 -2.188 377 HB3 ARG 51 HB3 ARG 51 4.581 10.283 -2.645 378 HG2 ARG 51 HG2 ARG 51 5.895 10.811 -0.832 379 HG3 ARG 51 HG3 ARG 51 5.516 12.520 -0.922 380 HD2 ARG 51 HD2 ARG 51 4.598 11.473 1.155 381 HD3 ARG 51 HD3 ARG 51 3.329 12.148 0.152 382 HE ARG 51 HE ARG 51 3.403 9.575 -0.760 383 HH11 ARG 51 HH22 ARG 51 3.328 10.882 2.506 384 HH12 ARG 51 HH21 ARG 51 2.496 9.517 3.171 385 HH21 ARG 51 HH12 ARG 51 2.305 7.773 0.116 386 HH22 ARG 51 HH11 ARG 51 1.910 7.736 1.802 387 H ASP 52 H ASP 52 5.427 10.874 -5.444 388 HA ASP 52 HA ASP 52 2.843 11.465 -6.620 389 HB2 ASP 52 HB2 ASP 52 5.067 12.796 -7.480 390 HB3 ASP 52 HB3 ASP 52 5.211 11.352 -8.463 391 H VAL 53 H VAL 53 6.005 9.843 -7.470 392 HA VAL 53 HA VAL 53 4.474 7.392 -7.989 393 HB VAL 53 HB VAL 53 7.142 8.293 -9.092 394 HG11 VAL 53 HG11 VAL 53 7.176 5.936 -9.086 395 HG12 VAL 53 HG12 VAL 53 5.458 5.821 -9.537 396 HG13 VAL 53 HG13 VAL 53 6.657 6.377 -10.730 397 HG21 VAL 53 HG21 VAL 53 5.545 8.174 -11.255 398 HG22 VAL 53 HG22 VAL 53 4.338 8.638 -10.032 399 HG23 VAL 53 HG23 VAL 53 5.774 9.657 -10.297 400 H LYS 54 H LYS 54 6.562 8.965 -5.802 401 HA LYS 54 HA LYS 54 8.383 7.056 -5.080 402 HB2 LYS 54 HB2 LYS 54 7.201 9.444 -3.926 403 HB3 LYS 54 HB3 LYS 54 7.514 8.245 -2.688 404 HG2 LYS 54 HG2 LYS 54 9.864 7.976 -3.666 405 HG3 LYS 54 HG3 LYS 54 9.521 9.340 -4.711 406 HD2 LYS 54 HD2 LYS 54 9.437 10.876 -2.918 407 HD3 LYS 54 HD3 LYS 54 9.062 9.638 -1.735 408 HE2 LYS 54 HE2 LYS 54 11.571 8.855 -2.774 409 HE3 LYS 54 HE3 LYS 54 11.686 10.599 -2.649 410 HZ1 LYS 54 HZ1 LYS 54 10.497 9.897 -0.347 411 HZ2 LYS 54 HZ2 LYS 54 11.538 8.660 -0.578 412 HZ3 LYS 54 HZ3 LYS 54 12.092 10.195 -0.526 413 H VAL 55 H VAL 55 4.983 7.448 -3.869 414 HA VAL 55 HA VAL 55 5.071 5.169 -2.243 415 HB VAL 55 HB VAL 55 3.474 6.961 -1.952 416 HG11 VAL 55 HG11 VAL 55 3.229 7.029 -4.658 417 HG12 VAL 55 HG12 VAL 55 1.733 6.171 -4.216 418 HG13 VAL 55 HG13 VAL 55 2.073 7.778 -3.530 419 HG21 VAL 55 HG21 VAL 55 1.805 4.577 -2.741 420 HG22 VAL 55 HG22 VAL 55 2.959 4.478 -1.389 421 HG23 VAL 55 HG23 VAL 55 1.632 5.663 -1.341 422 H SER 56 H SER 56 4.437 5.691 -5.712 423 HA SER 56 HA SER 56 3.158 3.350 -6.281 424 HB2 SER 56 HB2 SER 56 3.998 5.465 -7.743 425 HB3 SER 56 HB3 SER 56 5.248 4.327 -8.206 426 HG SER 56 HG SER 56 3.762 3.718 -9.646 427 H LEU 57 H LEU 57 6.729 4.020 -6.608 428 HA LEU 57 HA LEU 57 7.401 1.343 -7.064 429 HB2 LEU 57 HB2 LEU 57 8.704 3.470 -7.570 430 HB3 LEU 57 HB3 LEU 57 9.195 3.459 -5.887 431 HG LEU 57 HG LEU 57 9.801 0.885 -6.719 432 HD11 LEU 57 HD11 LEU 57 9.952 2.751 -9.032 433 HD12 LEU 57 HD12 LEU 57 11.319 1.638 -8.786 434 HD13 LEU 57 HD13 LEU 57 9.671 0.994 -8.982 435 HD21 LEU 57 HD21 LEU 57 11.337 3.392 -6.203 436 HD22 LEU 57 HD22 LEU 57 11.355 1.833 -5.345 437 HD23 LEU 57 HD23 LEU 57 12.199 2.001 -6.903 438 H PHE 58 H PHE 58 7.976 3.344 -4.078 439 HA PHE 58 HA PHE 58 8.832 1.458 -2.404 440 HB2 PHE 58 HB2 PHE 58 7.986 4.028 -2.207 441 HB3 PHE 58 HB3 PHE 58 6.538 3.280 -1.562 442 HD1 PHE 58 HD1 PHE 58 10.168 3.697 -1.026 443 HD2 PHE 58 HD2 PHE 58 6.486 2.416 0.651 444 HE1 PHE 58 HE1 PHE 58 11.245 3.565 1.237 445 HE2 PHE 58 HE2 PHE 58 7.563 2.283 2.914 446 HZ PHE 58 HZ PHE 58 9.930 2.859 3.180 447 H THR 59 H THR 59 5.494 1.811 -3.627 448 HA THR 59 HA THR 59 4.349 -0.002 -1.754 449 HB THR 59 HB THR 59 3.519 1.290 -4.388 450 HG1 THR 59 HG1 THR 59 2.051 2.256 -2.744 451 HG21 THR 59 HG21 THR 59 2.464 -1.128 -3.797 452 HG22 THR 59 HG22 THR 59 1.542 -0.157 -2.624 453 HG23 THR 59 HG23 THR 59 1.438 0.213 -4.362 454 H ALA 60 H ALA 60 5.087 -0.349 -5.295 455 HA ALA 60 HA ALA 60 4.487 -2.969 -5.573 456 HB1 ALA 60 HB1 ALA 60 5.251 -2.402 -7.606 457 HB2 ALA 60 HB2 ALA 60 6.058 -0.967 -6.930 458 HB3 ALA 60 HB3 ALA 60 6.917 -2.524 -6.992 459 H PHE 61 H PHE 61 7.524 -1.547 -4.226 460 HA PHE 61 HA PHE 61 8.857 -3.981 -3.920 461 HB2 PHE 61 HB2 PHE 61 8.973 -1.133 -3.013 462 HB3 PHE 61 HB3 PHE 61 9.699 -2.240 -1.865 463 HD1 PHE 61 HD2 PHE 61 9.776 -1.346 -5.480 464 HD2 PHE 61 HD1 PHE 61 11.900 -2.925 -2.162 465 HE1 PHE 61 HE2 PHE 61 11.883 -1.380 -6.844 466 HE2 PHE 61 HE1 PHE 61 14.006 -2.960 -3.527 467 HZ PHE 61 HZ PHE 61 13.972 -2.187 -5.852 468 H PHE 62 H PHE 62 6.782 -2.058 -1.656 469 HA PHE 62 HA PHE 62 7.143 -3.779 0.524 470 HB2 PHE 62 HB2 PHE 62 5.778 -1.368 -0.223 471 HB3 PHE 62 HB3 PHE 62 4.509 -2.449 0.318 472 HD1 PHE 62 HD2 PHE 62 5.880 -3.927 2.481 473 HD2 PHE 62 HD1 PHE 62 5.985 0.196 1.484 474 HE1 PHE 62 HE2 PHE 62 6.418 -3.364 4.867 475 HE2 PHE 62 HE1 PHE 62 6.522 0.760 3.870 476 HZ PHE 62 HZ PHE 62 6.733 -1.027 5.533 477 H LEU 63 H LEU 63 4.116 -3.321 -1.444 478 HA LEU 63 HA LEU 63 2.748 -5.466 -0.539 479 HB2 LEU 63 HB2 LEU 63 2.617 -3.654 -2.724 480 HB3 LEU 63 HB3 LEU 63 2.321 -5.261 -3.358 481 HG LEU 63 HG LEU 63 0.677 -5.374 -1.243 482 HD11 LEU 63 HD11 LEU 63 -0.490 -3.002 -1.352 483 HD12 LEU 63 HD12 LEU 63 0.830 -3.344 -0.207 484 HD13 LEU 63 HD13 LEU 63 1.168 -2.466 -1.718 485 HD21 LEU 63 HD21 LEU 63 -1.119 -5.060 -2.730 486 HD22 LEU 63 HD22 LEU 63 -0.197 -3.923 -3.742 487 HD23 LEU 63 HD23 LEU 63 0.225 -5.652 -3.736 488 H ALA 64 H ALA 64 5.437 -5.419 -2.901 489 HA ALA 64 HA ALA 64 5.155 -8.020 -3.840 490 HB1 ALA 64 HB1 ALA 64 6.620 -6.652 -5.042 491 HB2 ALA 64 HB2 ALA 64 7.421 -6.045 -3.573 492 HB3 ALA 64 HB3 ALA 64 7.745 -7.699 -4.145 493 H THR 65 H THR 65 7.581 -6.858 -1.390 494 HA THR 65 HA THR 65 8.279 -9.382 -0.494 495 HB THR 65 HB THR 65 8.276 -6.625 0.837 496 HG1 THR 65 HG1 THR 65 9.651 -6.800 -1.002 497 HG21 THR 65 HG21 THR 65 9.418 -9.304 1.700 498 HG22 THR 65 HG22 THR 65 10.322 -7.810 2.042 499 HG23 THR 65 HG23 THR 65 8.685 -8.031 2.705 500 H ILE 66 H ILE 66 5.975 -7.078 1.115 501 HA ILE 66 HA ILE 66 5.150 -8.663 3.129 502 HB ILE 66 HB ILE 66 3.649 -6.701 1.414 503 HG12 ILE 66 HG12 ILE 66 4.752 -6.519 4.234 504 HG13 ILE 66 HG13 ILE 66 5.533 -5.880 2.801 505 HG21 ILE 66 HG21 ILE 66 2.650 -8.000 3.965 506 HG22 ILE 66 HG22 ILE 66 1.862 -6.680 3.068 507 HG23 ILE 66 HG23 ILE 66 2.015 -8.291 2.328 508 HD11 ILE 66 HD11 ILE 66 3.494 -4.464 2.357 509 HD12 ILE 66 HD12 ILE 66 2.804 -5.052 3.890 510 HD13 ILE 66 HD13 ILE 66 4.295 -4.080 3.900 511 H MET 67 H MET 67 3.752 -8.645 -0.224 512 HA MET 67 HA MET 67 1.883 -10.556 0.132 513 HB2 MET 67 HB2 MET 67 3.683 -9.745 -2.176 514 HB3 MET 67 HB3 MET 67 2.639 -11.135 -2.396 515 HG2 MET 67 HG2 MET 67 1.321 -8.722 -1.211 516 HG3 MET 67 HG3 MET 67 1.853 -8.547 -2.872 517 HE1 MET 67 HE1 MET 67 -1.870 -9.670 -1.567 518 HE2 MET 67 HE2 MET 67 -1.029 -11.017 -0.762 519 HE3 MET 67 HE3 MET 67 -0.452 -9.347 -0.540 520 H GLY 68 H GLY 68 5.145 -11.260 -1.330 521 HA2 GLY 68 HA2 GLY 68 6.339 -13.169 -1.399 522 HA3 GLY 68 HA3 GLY 68 5.963 -13.284 0.309 523 H VAL 69 H VAL 69 3.719 -13.482 -2.528 524 HA VAL 69 HA VAL 69 2.092 -15.409 -1.628 525 HB VAL 69 HB VAL 69 3.158 -15.059 -4.437 526 HG11 VAL 69 HG11 VAL 69 1.585 -17.147 -3.503 527 HG12 VAL 69 HG12 VAL 69 0.399 -15.994 -4.160 528 HG13 VAL 69 HG13 VAL 69 1.717 -16.600 -5.192 529 HG21 VAL 69 HG21 VAL 69 2.044 -13.130 -4.458 530 HG22 VAL 69 HG22 VAL 69 0.535 -14.004 -4.100 531 HG23 VAL 69 HG23 VAL 69 1.540 -13.381 -2.769 532 H ARG 70 H ARG 70 5.092 -16.056 -3.582 533 HA ARG 70 HA ARG 70 5.082 -18.681 -2.319 534 HB2 ARG 70 HB2 ARG 70 4.773 -18.309 -4.978 535 HB3 ARG 70 HB3 ARG 70 6.522 -18.215 -4.933 536 HG2 ARG 70 HG2 ARG 70 6.773 -20.448 -4.399 537 HG3 ARG 70 HG3 ARG 70 5.349 -20.477 -3.377 538 HD2 ARG 70 HD2 ARG 70 4.740 -20.040 -6.255 539 HD3 ARG 70 HD3 ARG 70 5.507 -21.580 -5.924 540 HE ARG 70 HE ARG 70 3.314 -20.942 -4.079 541 HH11 ARG 70 HH22 ARG 70 4.174 -22.422 -7.153 542 HH12 ARG 70 HH21 ARG 70 2.763 -23.425 -7.211 543 HH21 ARG 70 HH12 ARG 70 1.453 -22.266 -4.154 544 HH22 ARG 70 HH11 ARG 70 1.205 -23.336 -5.493 545 H PHE 71 H PHE 71 7.265 -16.333 -4.061 546 HA PHE 71 HA PHE 71 9.178 -16.670 -1.879 547 HB2 PHE 71 HB2 PHE 71 9.389 -17.881 -4.403 548 HB3 PHE 71 HB3 PHE 71 10.239 -16.372 -4.672 549 HD1 PHE 71 HD2 PHE 71 10.140 -19.300 -2.380 550 HD2 PHE 71 HD1 PHE 71 12.468 -16.155 -4.022 551 HE1 PHE 71 HE2 PHE 71 12.199 -20.272 -1.323 552 HE2 PHE 71 HE1 PHE 71 14.527 -17.127 -2.965 553 HZ PHE 71 HZ PHE 71 14.368 -19.174 -1.628 554 H LYS 72 H LYS 72 8.292 -14.890 -4.912 555 HA LYS 72 HA LYS 72 8.233 -12.722 -5.350 556 HB2 LYS 72 HB2 LYS 72 7.225 -12.526 -3.064 557 HB3 LYS 72 HB3 LYS 72 8.825 -12.220 -2.419 558 HG2 LYS 72 HG2 LYS 72 7.933 -10.047 -2.789 559 HG3 LYS 72 HG3 LYS 72 8.998 -10.302 -4.157 560 HD2 LYS 72 HD2 LYS 72 6.395 -11.374 -4.829 561 HD3 LYS 72 HD3 LYS 72 6.170 -9.761 -4.182 562 HE2 LYS 72 HE2 LYS 72 8.257 -9.208 -5.801 563 HE3 LYS 72 HE3 LYS 72 7.672 -10.625 -6.650 564 HZ1 LYS 72 HZ1 LYS 72 5.421 -9.271 -6.190 565 HZ2 LYS 72 HZ2 LYS 72 6.477 -8.045 -6.411 566 HZ3 LYS 72 HZ3 LYS 72 6.285 -9.178 -7.572 567 H ARG 73 H ARG 73 10.114 -13.253 -6.680 568 HA ARG 73 HA ARG 73 12.228 -11.523 -6.082 569 HB2 ARG 73 HB2 ARG 73 12.511 -14.276 -5.173 570 HB3 ARG 73 HB3 ARG 73 13.677 -13.976 -6.446 571 HG2 ARG 73 HG2 ARG 73 14.836 -12.379 -5.213 572 HG3 ARG 73 HG3 ARG 73 13.403 -11.829 -4.367 573 HD2 ARG 73 HD2 ARG 73 13.606 -13.415 -2.692 574 HD3 ARG 73 HD3 ARG 73 14.218 -14.646 -3.779 575 HE ARG 73 HE ARG 73 16.119 -12.466 -3.434 576 HH11 ARG 73 HH22 ARG 73 14.914 -15.434 -1.979 577 HH12 ARG 73 HH21 ARG 73 16.371 -15.743 -1.094 578 HH21 ARG 73 HH12 ARG 73 18.042 -12.873 -2.268 579 HH22 ARG 73 HH11 ARG 73 18.162 -14.276 -1.260 580 H SER 74 H SER 74 11.157 -14.487 -7.865 581 HA SER 74 HA SER 74 11.937 -13.122 -10.306 582 HB2 SER 74 HB2 SER 74 13.069 -15.001 -11.206 583 HB3 SER 74 HB3 SER 74 13.661 -14.891 -9.560 584 HG SER 74 HG SER 74 13.085 -17.077 -10.101 585 H LYS 75 H LYS 75 10.592 -13.657 -12.148 586 HA LYS 75 HA LYS 75 8.797 -14.394 -13.218 587 HB2 LYS 75 HB2 LYS 75 9.301 -16.538 -11.347 588 HB3 LYS 75 HB3 LYS 75 7.574 -16.327 -11.555 589 HG2 LYS 75 HG2 LYS 75 7.618 -16.990 -13.759 590 HG3 LYS 75 HG3 LYS 75 9.130 -16.166 -14.088 591 HD2 LYS 75 HD2 LYS 75 10.231 -18.139 -13.941 592 HD3 LYS 75 HD3 LYS 75 9.756 -18.275 -12.259 593 HE2 LYS 75 HE2 LYS 75 7.521 -19.242 -13.068 594 HE3 LYS 75 HE3 LYS 75 8.198 -19.283 -14.684 595 HZ1 LYS 75 HZ1 LYS 75 9.468 -20.585 -12.380 596 HZ2 LYS 75 HZ2 LYS 75 8.456 -21.353 -13.407 597 HZ3 LYS 75 HZ3 LYS 75 9.874 -20.755 -13.953 598 H LYS 76 H LYS 76 8.604 -12.034 -11.966 599 HA LYS 76 HA LYS 76 6.491 -11.959 -10.066 600 HB2 LYS 76 HB2 LYS 76 8.035 -9.900 -11.634 601 HB3 LYS 76 HB3 LYS 76 6.627 -9.441 -10.697 602 HG2 LYS 76 HG2 LYS 76 7.616 -10.263 -8.636 603 HG3 LYS 76 HG3 LYS 76 8.913 -11.064 -9.500 604 HD2 LYS 76 HD2 LYS 76 8.773 -8.193 -10.152 605 HD3 LYS 76 HD3 LYS 76 8.981 -8.461 -8.432 606 HE2 LYS 76 HE2 LYS 76 10.741 -10.309 -9.690 607 HE3 LYS 76 HE3 LYS 76 10.915 -8.820 -10.598 608 HZ1 LYS 76 HZ1 LYS 76 11.373 -7.663 -8.585 609 HZ2 LYS 76 HZ2 LYS 76 11.067 -8.979 -7.668 610 HZ3 LYS 76 HZ3 LYS 76 12.366 -8.958 -8.658 611 H ILE 77 H ILE 77 5.275 -13.552 -11.692 612 HA ILE 77 HA ILE 77 3.865 -12.031 -13.725 613 HB ILE 77 HB ILE 77 4.021 -14.950 -13.008 614 HG12 ILE 77 HG12 ILE 77 4.585 -13.859 -15.726 615 HG13 ILE 77 HG13 ILE 77 5.743 -13.492 -14.463 616 HG21 ILE 77 HG21 ILE 77 2.612 -14.899 -15.345 617 HG22 ILE 77 HG22 ILE 77 1.906 -15.130 -13.727 618 HG23 ILE 77 HG23 ILE 77 1.910 -13.514 -14.474 619 HD11 ILE 77 HD11 ILE 77 5.297 -16.174 -13.990 620 HD12 ILE 77 HD12 ILE 77 5.120 -16.089 -15.760 621 HD13 ILE 77 HD13 ILE 77 6.625 -15.535 -14.989 622 H MET 78 H MET 78 3.179 -13.990 -10.752 623 HA MET 78 HA MET 78 0.481 -13.600 -10.717 624 HB2 MET 78 HB2 MET 78 2.600 -14.481 -8.916 625 HB3 MET 78 HB3 MET 78 1.477 -13.490 -8.006 626 HG2 MET 78 HG2 MET 78 -0.195 -15.128 -9.585 627 HG3 MET 78 HG3 MET 78 1.104 -16.199 -9.100 628 HE1 MET 78 HE1 MET 78 -1.748 -16.999 -6.563 629 HE2 MET 78 HE2 MET 78 -1.592 -16.888 -8.332 630 HE3 MET 78 HE3 MET 78 -0.360 -17.754 -7.383 631 HA PRO 79 HA PRO 79 1.239 -9.625 -8.244 632 HB2 PRO 79 HB2 PRO 79 3.768 -8.625 -7.982 633 HB3 PRO 79 HB3 PRO 79 3.006 -9.634 -6.769 634 HG2 PRO 79 HG2 PRO 79 5.116 -10.347 -8.712 635 HG3 PRO 79 HG3 PRO 79 4.649 -11.182 -7.244 636 HD2 PRO 79 HD2 PRO 79 3.995 -11.941 -9.931 637 HD3 PRO 79 HD3 PRO 79 3.433 -12.708 -8.459 638 H ALA 80 H ALA 80 0.474 -9.781 -10.747 639 HA ALA 80 HA ALA 80 2.023 -8.058 -12.404 640 HB1 ALA 80 HB1 ALA 80 0.628 -9.878 -13.299 641 HB2 ALA 80 HB2 ALA 80 -0.830 -9.100 -12.638 642 HB3 ALA 80 HB3 ALA 80 0.092 -8.306 -13.937 643 H GLY 81 H GLY 81 -1.066 -7.763 -10.530 644 HA2 GLY 81 HA2 GLY 81 -1.642 -5.120 -11.237 645 HA3 GLY 81 HA3 GLY 81 -2.190 -5.960 -9.800 646 H LEU 82 H LEU 82 0.737 -6.511 -9.003 647 HA LEU 82 HA LEU 82 1.025 -4.362 -7.269 648 HB2 LEU 82 HB2 LEU 82 2.210 -6.858 -7.722 649 HB3 LEU 82 HB3 LEU 82 3.523 -5.704 -7.846 650 HG LEU 82 HG LEU 82 1.913 -5.067 -5.541 651 HD11 LEU 82 HD11 LEU 82 2.310 -7.084 -4.200 652 HD12 LEU 82 HD12 LEU 82 1.217 -7.400 -5.569 653 HD13 LEU 82 HD13 LEU 82 2.916 -7.925 -5.648 654 HD21 LEU 82 HD21 LEU 82 3.923 -4.667 -4.617 655 HD22 LEU 82 HD22 LEU 82 4.607 -6.216 -5.165 656 HD23 LEU 82 HD23 LEU 82 4.512 -4.838 -6.287 657 H VAL 83 H VAL 83 3.493 -5.172 -9.789 658 HA VAL 83 HA VAL 83 4.431 -2.534 -9.882 659 HB VAL 83 HB VAL 83 4.730 -4.885 -11.755 660 HG11 VAL 83 HG11 VAL 83 6.526 -2.452 -11.695 661 HG12 VAL 83 HG12 VAL 83 6.456 -3.757 -12.904 662 HG13 VAL 83 HG13 VAL 83 5.130 -2.575 -12.792 663 HG21 VAL 83 HG21 VAL 83 7.155 -4.471 -10.544 664 HG22 VAL 83 HG22 VAL 83 6.020 -4.044 -9.241 665 HG23 VAL 83 HG23 VAL 83 5.932 -5.648 -10.009 666 H ALA 84 H ALA 84 2.442 -4.439 -12.257 667 HA ALA 84 HA ALA 84 2.019 -2.500 -14.105 668 HB1 ALA 84 HB1 ALA 84 -0.191 -4.341 -13.153 669 HB2 ALA 84 HB2 ALA 84 0.177 -3.806 -14.810 670 HB3 ALA 84 HB3 ALA 84 1.249 -4.967 -13.991 671 H GLY 85 H GLY 85 0.667 -2.774 -10.825 672 HA2 GLY 85 HA2 GLY 85 -1.418 -0.867 -11.181 673 HA3 GLY 85 HA3 GLY 85 -0.768 -1.470 -9.670 674 H LEU 86 H LEU 86 1.875 -0.728 -9.633 675 HA LEU 86 HA LEU 86 1.802 1.901 -8.873 676 HB2 LEU 86 HB2 LEU 86 3.962 1.616 -8.343 677 HB3 LEU 86 HB3 LEU 86 3.549 -0.067 -8.601 678 HG LEU 86 HG LEU 86 4.362 0.388 -11.057 679 HD11 LEU 86 HD11 LEU 86 4.701 2.705 -11.086 680 HD12 LEU 86 HD12 LEU 86 5.545 2.697 -9.519 681 HD13 LEU 86 HD13 LEU 86 6.338 2.017 -10.961 682 HD21 LEU 86 HD21 LEU 86 6.248 -0.754 -10.531 683 HD22 LEU 86 HD22 LEU 86 6.655 0.313 -9.165 684 HD23 LEU 86 HD23 LEU 86 5.400 -0.936 -8.976 685 H SER 87 H SER 87 2.616 0.473 -12.078 686 HA SER 87 HA SER 87 3.441 2.866 -13.215 687 HB2 SER 87 HB2 SER 87 3.382 0.237 -13.999 688 HB3 SER 87 HB3 SER 87 2.083 0.882 -14.983 689 HG SER 87 HG SER 87 3.608 1.611 -16.286 690 H LEU 88 H LEU 88 0.286 1.069 -13.551 691 HA LEU 88 HA LEU 88 -1.050 2.952 -15.020 692 HB2 LEU 88 HB2 LEU 88 -1.652 0.594 -13.501 693 HB3 LEU 88 HB3 LEU 88 -2.890 1.799 -13.206 694 HG LEU 88 HG LEU 88 -2.057 1.174 -16.027 695 HD11 LEU 88 HD11 LEU 88 -3.115 -0.758 -14.214 696 HD12 LEU 88 HD12 LEU 88 -4.382 -0.338 -15.390 697 HD13 LEU 88 HD13 LEU 88 -2.796 -0.913 -15.958 698 HD21 LEU 88 HD21 LEU 88 -3.731 3.050 -15.057 699 HD22 LEU 88 HD22 LEU 88 -3.922 2.282 -16.652 700 HD23 LEU 88 HD23 LEU 88 -4.873 1.700 -15.264 701 H MET 89 H MET 89 -0.128 2.986 -11.607 702 HA MET 89 HA MET 89 -1.983 4.931 -10.824 703 HB2 MET 89 HB2 MET 89 -0.509 3.308 -9.396 704 HB3 MET 89 HB3 MET 89 0.796 4.455 -9.631 705 HG2 MET 89 HG2 MET 89 -1.443 6.019 -8.818 706 HG3 MET 89 HG3 MET 89 -1.467 4.603 -7.787 707 HE1 MET 89 HE1 MET 89 0.335 7.282 -9.393 708 HE2 MET 89 HE2 MET 89 0.875 8.185 -7.957 709 HE3 MET 89 HE3 MET 89 2.020 7.143 -8.836 710 H MET 90 H MET 90 1.625 5.248 -11.226 711 HA MET 90 HA MET 90 1.679 7.966 -11.121 712 HB2 MET 90 HB2 MET 90 3.891 7.719 -12.292 713 HB3 MET 90 HB3 MET 90 3.687 6.496 -11.054 714 HG2 MET 90 HG2 MET 90 3.481 4.762 -12.592 715 HG3 MET 90 HG3 MET 90 2.700 5.769 -13.794 716 HE1 MET 90 HE1 MET 90 5.355 8.151 -14.806 717 HE2 MET 90 HE2 MET 90 4.734 7.000 -16.013 718 HE3 MET 90 HE3 MET 90 3.645 7.659 -14.768 719 H ILE 91 H ILE 91 0.498 5.895 -13.681 720 HA ILE 91 HA ILE 91 0.826 7.871 -15.743 721 HB ILE 91 HB ILE 91 -0.366 5.129 -15.550 722 HG12 ILE 91 HG12 ILE 91 2.100 5.504 -15.861 723 HG13 ILE 91 HG13 ILE 91 1.330 4.528 -17.096 724 HG21 ILE 91 HG21 ILE 91 -1.924 5.658 -17.056 725 HG22 ILE 91 HG22 ILE 91 -1.189 7.243 -17.396 726 HG23 ILE 91 HG23 ILE 91 -0.584 5.786 -18.220 727 HD11 ILE 91 HD11 ILE 91 2.248 5.942 -18.615 728 HD12 ILE 91 HD12 ILE 91 1.056 7.148 -18.073 729 HD13 ILE 91 HD13 ILE 91 2.683 7.119 -17.352 730 H LEU 92 H LEU 92 -1.747 6.662 -13.547 731 HA LEU 92 HA LEU 92 -3.727 8.331 -14.778 732 HB2 LEU 92 HB2 LEU 92 -5.214 7.184 -13.554 733 HB3 LEU 92 HB3 LEU 92 -3.897 6.031 -13.481 734 HG LEU 92 HG LEU 92 -3.253 7.212 -11.263 735 HD11 LEU 92 HD11 LEU 92 -5.694 7.925 -10.281 736 HD12 LEU 92 HD12 LEU 92 -4.458 9.063 -10.871 737 HD13 LEU 92 HD13 LEU 92 -5.785 8.556 -11.943 738 HD21 LEU 92 HD21 LEU 92 -4.934 5.820 -10.011 739 HD22 LEU 92 HD22 LEU 92 -5.689 5.445 -11.579 740 HD23 LEU 92 HD23 LEU 92 -4.007 4.955 -11.260 741 H ARG 93 H ARG 93 -1.102 8.813 -12.641 742 HA ARG 93 HA ARG 93 -2.437 10.904 -11.198 743 HB2 ARG 93 HB2 ARG 93 -0.048 9.272 -10.844 744 HB3 ARG 93 HB3 ARG 93 0.392 10.964 -10.719 745 HG2 ARG 93 HG2 ARG 93 -2.114 10.387 -9.284 746 HG3 ARG 93 HG3 ARG 93 -0.795 9.388 -8.705 747 HD2 ARG 93 HD2 ARG 93 0.442 11.213 -7.926 748 HD3 ARG 93 HD3 ARG 93 -0.202 12.309 -9.131 749 HE ARG 93 HE ARG 93 -2.356 11.513 -7.436 750 HH11 ARG 93 HH22 ARG 93 0.609 13.402 -7.283 751 HH12 ARG 93 HH21 ARG 93 0.032 14.442 -6.024 752 HH21 ARG 93 HH12 ARG 93 -3.118 12.885 -5.776 753 HH22 ARG 93 HH11 ARG 93 -2.102 14.146 -5.161 754 H LEU 94 H LEU 94 0.403 10.500 -13.437 755 HA LEU 94 HA LEU 94 1.013 13.194 -13.671 756 HB2 LEU 94 HB2 LEU 94 2.309 11.104 -14.380 757 HB3 LEU 94 HB3 LEU 94 1.363 11.152 -15.855 758 HG LEU 94 HG LEU 94 2.830 13.627 -15.016 759 HD11 LEU 94 HD11 LEU 94 4.783 12.551 -14.922 760 HD12 LEU 94 HD12 LEU 94 4.101 11.059 -15.612 761 HD13 LEU 94 HD13 LEU 94 4.630 12.376 -16.687 762 HD21 LEU 94 HD21 LEU 94 1.462 12.622 -17.370 763 HD22 LEU 94 HD22 LEU 94 1.976 14.277 -16.962 764 HD23 LEU 94 HD23 LEU 94 3.115 13.160 -17.751 765 H VAL 95 H VAL 95 -1.744 11.405 -14.767 766 HA VAL 95 HA VAL 95 -2.314 13.034 -17.032 767 HB VAL 95 HB VAL 95 -3.759 10.959 -15.416 768 HG11 VAL 95 HG11 VAL 95 -5.671 12.125 -15.848 769 HG12 VAL 95 HG12 VAL 95 -4.967 12.988 -17.237 770 HG13 VAL 95 HG13 VAL 95 -5.513 11.303 -17.419 771 HG21 VAL 95 HG21 VAL 95 -2.010 10.753 -17.489 772 HG22 VAL 95 HG22 VAL 95 -3.276 9.557 -17.124 773 HG23 VAL 95 HG23 VAL 95 -3.558 10.799 -18.367 774 H LEU 96 H LEU 96 -3.837 12.738 -13.738 775 HA LEU 96 HA LEU 96 -5.544 14.841 -13.915 776 HB2 LEU 96 HB2 LEU 96 -5.771 14.686 -11.645 777 HB3 LEU 96 HB3 LEU 96 -5.144 13.104 -12.064 778 HG LEU 96 HG LEU 96 -2.881 14.705 -11.509 779 HD11 LEU 96 HD11 LEU 96 -3.234 15.864 -9.565 780 HD12 LEU 96 HD12 LEU 96 -4.792 16.131 -10.384 781 HD13 LEU 96 HD13 LEU 96 -4.657 14.896 -9.109 782 HD21 LEU 96 HD21 LEU 96 -3.636 13.012 -9.293 783 HD22 LEU 96 HD22 LEU 96 -3.941 12.194 -10.844 784 HD23 LEU 96 HD23 LEU 96 -2.318 12.824 -10.474 785 H LEU 97 H LEU 97 -2.010 14.878 -13.594 786 HA LEU 97 HA LEU 97 -0.585 16.575 -13.225 787 HB2 LEU 97 HB2 LEU 97 -0.294 17.649 -15.167 788 HB3 LEU 97 HB3 LEU 97 -1.521 16.519 -15.705 789 HG LEU 97 HG LEU 97 -3.059 18.622 -14.835 790 HD11 LEU 97 HD11 LEU 97 -0.658 19.781 -14.688 791 HD12 LEU 97 HD12 LEU 97 -0.990 20.066 -16.414 792 HD13 LEU 97 HD13 LEU 97 -2.125 20.663 -15.179 793 HD21 LEU 97 HD21 LEU 97 -1.969 17.956 -17.574 794 HD22 LEU 97 HD22 LEU 97 -3.532 17.493 -16.857 795 HD23 LEU 97 HD23 LEU 97 -3.223 19.189 -17.299 796 H LEU 98 H LEU 98 -2.663 16.620 -11.278 797 HA LEU 98 HA LEU 98 -3.883 17.984 -9.975 798 HB2 LEU 98 HB2 LEU 98 -1.526 19.828 -10.051 799 HB3 LEU 98 HB3 LEU 98 -2.517 19.341 -8.690 800 HG LEU 98 HG LEU 98 -1.048 17.118 -9.949 801 HD11 LEU 98 HD11 LEU 98 0.677 18.924 -8.308 802 HD12 LEU 98 HD12 LEU 98 1.119 17.720 -9.543 803 HD13 LEU 98 HD13 LEU 98 0.451 19.295 -10.035 804 HD21 LEU 98 HD21 LEU 98 -0.383 17.160 -7.304 805 HD22 LEU 98 HD22 LEU 98 -1.952 17.999 -7.289 806 HD23 LEU 98 HD23 LEU 98 -1.823 16.366 -7.984 807 H LEU 99 H LEU 99 -4.451 18.397 -12.797 808 HA LEU 99 HA LEU 99 -4.388 20.909 -13.748 809 HB2 LEU 99 HB2 LEU 99 -5.846 20.155 -15.244 810 HB3 LEU 99 HB3 LEU 99 -5.618 18.615 -14.439 811 HG LEU 99 HG LEU 99 -7.644 19.664 -12.943 812 HD11 LEU 99 HD11 LEU 99 -8.213 21.585 -14.052 813 HD12 LEU 99 HD12 LEU 99 -7.757 20.938 -15.647 814 HD13 LEU 99 HD13 LEU 99 -9.273 20.415 -14.875 815 HD21 LEU 99 HD21 LEU 99 -9.149 18.235 -14.412 816 HD22 LEU 99 HD22 LEU 99 -7.711 17.931 -15.416 817 HD23 LEU 99 HD23 LEU 99 -7.724 17.436 -13.706 Start of MODEL 11 1 H MET 1 H1 MET 1 -19.656 14.749 27.465 2 HA MET 1 HA MET 1 -21.241 13.383 28.729 3 HB2 MET 1 HB2 MET 1 -23.521 14.568 29.052 4 HB3 MET 1 HB3 MET 1 -22.241 15.089 30.130 5 HG2 MET 1 HG2 MET 1 -22.071 17.182 29.149 6 HG3 MET 1 HG3 MET 1 -22.411 16.579 27.540 7 HE1 MET 1 HE1 MET 1 -23.336 18.813 27.596 8 HE2 MET 1 HE2 MET 1 -24.921 18.428 26.884 9 HE3 MET 1 HE3 MET 1 -24.828 19.353 28.401 10 H ASP 2 H ASP 2 -22.830 12.188 27.514 11 HA ASP 2 HA ASP 2 -23.377 13.323 24.891 12 HB2 ASP 2 HB2 ASP 2 -21.699 11.075 25.483 13 HB3 ASP 2 HB3 ASP 2 -23.166 10.423 24.783 14 H LEU 3 H LEU 3 -25.591 13.195 24.441 15 HA LEU 3 HA LEU 3 -27.295 11.914 26.335 16 HB2 LEU 3 HB2 LEU 3 -27.473 13.997 24.467 17 HB3 LEU 3 HB3 LEU 3 -28.591 12.774 23.897 18 HG LEU 3 HG LEU 3 -29.703 14.407 25.324 19 HD11 LEU 3 HD11 LEU 3 -31.006 12.917 26.536 20 HD12 LEU 3 HD12 LEU 3 -30.278 11.882 25.285 21 HD13 LEU 3 HD13 LEU 3 -29.624 11.872 26.941 22 HD21 LEU 3 HD21 LEU 3 -28.677 15.294 27.077 23 HD22 LEU 3 HD22 LEU 3 -28.803 13.732 27.921 24 HD23 LEU 3 HD23 LEU 3 -27.359 14.104 26.949 25 H ILE 4 H ILE 4 -27.066 11.558 22.722 26 HA ILE 4 HA ILE 4 -28.490 9.292 22.451 27 HB ILE 4 HB ILE 4 -27.817 10.270 20.496 28 HG12 ILE 4 HG12 ILE 4 -25.688 8.234 20.243 29 HG13 ILE 4 HG13 ILE 4 -27.219 7.626 20.838 30 HG21 ILE 4 HG21 ILE 4 -26.102 11.690 20.656 31 HG22 ILE 4 HG22 ILE 4 -25.300 10.726 21.920 32 HG23 ILE 4 HG23 ILE 4 -25.078 10.306 20.204 33 HD11 ILE 4 HD11 ILE 4 -27.315 7.481 18.436 34 HD12 ILE 4 HD12 ILE 4 -28.350 8.855 18.893 35 HD13 ILE 4 HD13 ILE 4 -26.717 9.147 18.248 36 H GLY 5 H GLY 5 -24.970 8.785 22.074 37 HA2 GLY 5 HA2 GLY 5 -23.553 7.437 23.265 38 HA3 GLY 5 HA3 GLY 5 -24.852 6.998 24.355 39 H PHE 6 H PHE 6 -26.844 6.104 22.527 40 HA PHE 6 HA PHE 6 -26.061 3.481 22.142 41 HB2 PHE 6 HB2 PHE 6 -28.383 4.898 22.144 42 HB3 PHE 6 HB3 PHE 6 -28.145 4.868 20.408 43 HD1 PHE 6 HD2 PHE 6 -28.080 2.490 23.292 44 HD2 PHE 6 HD1 PHE 6 -29.134 3.152 19.235 45 HE1 PHE 6 HE2 PHE 6 -29.117 0.207 23.189 46 HE2 PHE 6 HE1 PHE 6 -30.171 0.868 19.132 47 HZ PHE 6 HZ PHE 6 -30.150 -0.577 21.110 48 H GLY 7 H GLY 7 -26.593 6.067 19.634 49 HA2 GLY 7 HA2 GLY 7 -25.751 4.583 17.440 50 HA3 GLY 7 HA3 GLY 7 -25.732 6.330 17.576 51 H TYR 8 H TYR 8 -23.887 6.629 19.772 52 HA TYR 8 HA TYR 8 -21.471 6.597 18.398 53 HB2 TYR 8 HB2 TYR 8 -22.441 7.821 20.574 54 HB3 TYR 8 HB3 TYR 8 -21.849 6.414 21.435 55 HD1 TYR 8 HD2 TYR 8 -19.444 6.007 21.686 56 HD2 TYR 8 HD1 TYR 8 -20.894 9.448 19.596 57 HE1 TYR 8 HE2 TYR 8 -17.138 7.069 21.820 58 HE2 TYR 8 HE1 TYR 8 -18.582 10.498 19.737 59 HH TYR 8 HH TYR 8 -15.956 8.850 21.464 60 H ALA 9 H ALA 9 -22.773 4.358 20.935 61 HA ALA 9 HA ALA 9 -20.432 2.746 20.914 62 HB1 ALA 9 HB1 ALA 9 -22.936 1.510 21.852 63 HB2 ALA 9 HB2 ALA 9 -21.417 1.818 22.727 64 HB3 ALA 9 HB3 ALA 9 -22.628 3.112 22.565 65 H ALA 10 H ALA 10 -23.433 2.926 19.042 66 HA ALA 10 HA ALA 10 -23.369 0.284 18.057 67 HB1 ALA 10 HB1 ALA 10 -24.968 1.187 16.389 68 HB2 ALA 10 HB2 ALA 10 -25.380 1.697 18.043 69 HB3 ALA 10 HB3 ALA 10 -24.587 2.839 16.931 70 H LEU 11 H LEU 11 -22.405 3.453 16.545 71 HA LEU 11 HA LEU 11 -21.273 2.310 14.283 72 HB2 LEU 11 HB2 LEU 11 -20.453 4.433 13.805 73 HB3 LEU 11 HB3 LEU 11 -21.944 4.701 14.687 74 HG LEU 11 HG LEU 11 -20.261 4.846 16.759 75 HD11 LEU 11 HD11 LEU 11 -18.255 6.230 15.868 76 HD12 LEU 11 HD12 LEU 11 -18.185 4.452 15.809 77 HD13 LEU 11 HD13 LEU 11 -18.563 5.377 14.336 78 HD21 LEU 11 HD21 LEU 11 -20.683 7.145 14.832 79 HD22 LEU 11 HD22 LEU 11 -21.889 6.553 16.000 80 HD23 LEU 11 HD23 LEU 11 -20.357 7.250 16.579 81 H VAL 12 H VAL 12 -19.906 3.048 17.529 82 HA VAL 12 HA VAL 12 -17.249 2.574 16.940 83 HB VAL 12 HB VAL 12 -18.945 2.292 19.407 84 HG11 VAL 12 HG11 VAL 12 -16.900 1.966 20.736 85 HG12 VAL 12 HG12 VAL 12 -17.173 0.611 19.615 86 HG13 VAL 12 HG13 VAL 12 -15.945 1.843 19.240 87 HG21 VAL 12 HG21 VAL 12 -18.101 4.517 18.216 88 HG22 VAL 12 HG22 VAL 12 -18.167 4.370 19.989 89 HG23 VAL 12 HG23 VAL 12 -16.620 4.156 19.135 90 H THR 13 H THR 13 -19.850 0.278 17.987 91 HA THR 13 HA THR 13 -18.179 -1.986 17.997 92 HB THR 13 HB THR 13 -21.198 -1.556 17.749 93 HG1 THR 13 HG1 THR 13 -20.942 -2.091 20.036 94 HG21 THR 13 HG21 THR 13 -19.877 -3.954 17.156 95 HG22 THR 13 HG22 THR 13 -20.195 -4.094 18.902 96 HG23 THR 13 HG23 THR 13 -21.543 -3.828 17.771 97 H PHE 14 H PHE 14 -19.964 -0.300 15.416 98 HA PHE 14 HA PHE 14 -19.827 -2.386 13.551 99 HB2 PHE 14 HB2 PHE 14 -21.064 0.015 13.725 100 HB3 PHE 14 HB3 PHE 14 -19.638 0.584 12.880 101 HD1 PHE 14 HD2 PHE 14 -22.247 -2.073 12.620 102 HD2 PHE 14 HD1 PHE 14 -19.641 0.575 10.569 103 HE1 PHE 14 HE2 PHE 14 -23.266 -2.765 10.433 104 HE2 PHE 14 HE1 PHE 14 -20.660 -0.117 8.382 105 HZ PHE 14 HZ PHE 14 -22.460 -1.779 8.340 106 H GLY 15 H GLY 15 -17.745 0.558 14.028 107 HA2 GLY 15 HA2 GLY 15 -15.912 -0.101 11.983 108 HA3 GLY 15 HA3 GLY 15 -15.673 1.038 13.293 109 H SER 16 H SER 16 -16.308 -1.151 15.355 110 HA SER 16 HA SER 16 -13.648 -1.928 15.730 111 HB2 SER 16 HB2 SER 16 -16.094 -1.919 17.222 112 HB3 SER 16 HB3 SER 16 -15.476 -3.558 17.277 113 HG SER 16 HG SER 16 -13.873 -2.934 18.559 114 H ILE 17 H ILE 17 -16.668 -3.733 14.823 115 HA ILE 17 HA ILE 17 -15.360 -6.210 14.538 116 HB ILE 17 HB ILE 17 -17.993 -5.132 13.544 117 HG12 ILE 17 HG12 ILE 17 -17.427 -7.136 15.742 118 HG13 ILE 17 HG13 ILE 17 -17.573 -5.413 16.030 119 HG21 ILE 17 HG21 ILE 17 -17.247 -6.886 12.017 120 HG22 ILE 17 HG22 ILE 17 -16.965 -7.979 13.393 121 HG23 ILE 17 HG23 ILE 17 -18.617 -7.437 13.011 122 HD11 ILE 17 HD11 ILE 17 -19.860 -5.410 15.092 123 HD12 ILE 17 HD12 ILE 17 -19.715 -7.142 14.706 124 HD13 ILE 17 HD13 ILE 17 -19.731 -6.607 16.403 125 H PHE 18 H PHE 18 -16.661 -3.928 12.019 126 HA PHE 18 HA PHE 18 -15.704 -5.143 9.817 127 HB2 PHE 18 HB2 PHE 18 -16.884 -2.747 10.486 128 HB3 PHE 18 HB3 PHE 18 -15.273 -2.159 10.128 129 HD1 PHE 18 HD1 PHE 18 -14.375 -2.295 7.855 130 HD2 PHE 18 HD2 PHE 18 -18.317 -3.599 8.732 131 HE1 PHE 18 HE1 PHE 18 -14.927 -2.271 5.407 132 HE2 PHE 18 HE2 PHE 18 -18.869 -3.576 6.283 133 HZ PHE 18 HZ PHE 18 -17.168 -2.912 4.650 134 H GLY 19 H GLY 19 -13.883 -2.789 11.897 135 HA2 GLY 19 HA2 GLY 19 -11.693 -2.213 11.881 136 HA3 GLY 19 HA3 GLY 19 -11.459 -3.949 11.930 137 H TYR 20 H TYR 20 -12.473 -1.517 9.412 138 HA TYR 20 HA TYR 20 -11.921 -1.339 7.263 139 HB2 TYR 20 HB2 TYR 20 -9.411 -1.767 8.902 140 HB3 TYR 20 HB3 TYR 20 -9.195 -1.855 7.166 141 HD1 TYR 20 HD1 TYR 20 -10.329 0.355 9.930 142 HD2 TYR 20 HD2 TYR 20 -9.159 0.116 5.822 143 HE1 TYR 20 HE1 TYR 20 -10.203 2.892 9.810 144 HE2 TYR 20 HE2 TYR 20 -9.038 2.653 5.715 145 HH TYR 20 HH TYR 20 -9.157 4.582 8.543 146 H LYS 21 H LYS 21 -13.078 -3.102 6.348 147 HA LYS 21 HA LYS 21 -12.351 -5.732 6.397 148 HB2 LYS 21 HB2 LYS 21 -14.409 -4.418 5.374 149 HB3 LYS 21 HB3 LYS 21 -13.496 -4.562 3.886 150 HG2 LYS 21 HG2 LYS 21 -13.240 -7.111 4.651 151 HG3 LYS 21 HG3 LYS 21 -14.657 -6.752 5.617 152 HD2 LYS 21 HD2 LYS 21 -16.040 -6.610 3.785 153 HD3 LYS 21 HD3 LYS 21 -14.840 -5.781 2.813 154 HE2 LYS 21 HE2 LYS 21 -13.937 -7.751 1.982 155 HE3 LYS 21 HE3 LYS 21 -14.232 -8.643 3.462 156 HZ1 LYS 21 HZ1 LYS 21 -16.694 -8.242 2.726 157 HZ2 LYS 21 HZ2 LYS 21 -16.017 -8.161 1.242 158 HZ3 LYS 21 HZ3 LYS 21 -15.828 -9.503 2.153 159 H ARG 22 H ARG 22 -10.831 -7.023 5.433 160 HA ARG 22 HA ARG 22 -9.065 -5.626 3.586 161 HB2 ARG 22 HB2 ARG 22 -8.392 -6.717 6.055 162 HB3 ARG 22 HB3 ARG 22 -7.985 -8.033 4.972 163 HG2 ARG 22 HG2 ARG 22 -6.455 -6.663 3.707 164 HG3 ARG 22 HG3 ARG 22 -7.068 -5.183 4.418 165 HD2 ARG 22 HD2 ARG 22 -6.138 -5.777 6.614 166 HD3 ARG 22 HD3 ARG 22 -5.681 -7.369 6.041 167 HE ARG 22 HE ARG 22 -4.474 -5.403 4.339 168 HH11 ARG 22 HH22 ARG 22 -4.229 -6.668 7.613 169 HH12 ARG 22 HH21 ARG 22 -2.549 -6.281 7.775 170 HH21 ARG 22 HH12 ARG 22 -2.257 -4.892 4.551 171 HH22 ARG 22 HH11 ARG 22 -1.419 -5.263 6.021 172 H ARG 23 H ARG 23 -10.055 -6.340 1.635 173 HA ARG 23 HA ARG 23 -10.859 -9.014 1.335 174 HB2 ARG 23 HB2 ARG 23 -11.225 -6.581 -0.053 175 HB3 ARG 23 HB3 ARG 23 -10.326 -7.572 -1.185 176 HG2 ARG 23 HG2 ARG 23 -12.306 -9.285 -0.035 177 HG3 ARG 23 HG3 ARG 23 -13.123 -7.778 -0.401 178 HD2 ARG 23 HD2 ARG 23 -11.277 -8.758 -2.538 179 HD3 ARG 23 HD3 ARG 23 -12.672 -9.776 -2.243 180 HE ARG 23 HE ARG 23 -13.477 -7.004 -2.388 181 HH11 ARG 23 HH22 ARG 23 -12.478 -9.709 -4.405 182 HH12 ARG 23 HH21 ARG 23 -13.318 -9.138 -5.808 183 HH21 ARG 23 HH12 ARG 23 -14.585 -6.251 -4.239 184 HH22 ARG 23 HH11 ARG 23 -14.524 -7.158 -5.713 185 H GLY 24 H GLY 24 -8.018 -7.041 0.281 186 HA2 GLY 24 HA2 GLY 24 -6.775 -8.939 -1.348 187 HA3 GLY 24 HA3 GLY 24 -5.993 -7.619 -0.501 188 H GLY 25 H GLY 25 -4.962 -10.355 -0.936 189 HA2 GLY 25 HA2 GLY 25 -3.741 -10.868 1.461 190 HA3 GLY 25 HA3 GLY 25 -5.211 -11.821 1.511 191 H VAL 26 H VAL 26 -5.635 -13.393 -0.269 192 HA VAL 26 HA VAL 26 -3.247 -14.789 -0.915 193 HB VAL 26 HB VAL 26 -6.143 -15.180 -1.028 194 HG11 VAL 26 HG11 VAL 26 -5.893 -17.065 -2.745 195 HG12 VAL 26 HG12 VAL 26 -5.953 -15.400 -3.372 196 HG13 VAL 26 HG13 VAL 26 -4.394 -16.251 -3.252 197 HG21 VAL 26 HG21 VAL 26 -5.646 -17.216 -0.058 198 HG22 VAL 26 HG22 VAL 26 -4.099 -17.377 -0.923 199 HG23 VAL 26 HG23 VAL 26 -4.240 -16.249 0.447 200 HA PRO 27 HA PRO 27 -4.306 -13.184 -5.236 201 HB2 PRO 27 HB2 PRO 27 -6.221 -11.260 -5.556 202 HB3 PRO 27 HB3 PRO 27 -6.538 -12.971 -5.762 203 HG2 PRO 27 HG2 PRO 27 -7.288 -11.205 -3.514 204 HG3 PRO 27 HG3 PRO 27 -7.941 -12.773 -3.943 205 HD2 PRO 27 HD2 PRO 27 -6.095 -12.205 -1.822 206 HD3 PRO 27 HD3 PRO 27 -6.659 -13.786 -2.326 207 H SER 28 H SER 28 -2.752 -11.993 -6.164 208 HA SER 28 HA SER 28 -1.913 -9.763 -4.543 209 HB2 SER 28 HB2 SER 28 -0.291 -11.507 -5.408 210 HB3 SER 28 HB3 SER 28 -0.612 -10.943 -7.036 211 HG SER 28 HG SER 28 0.651 -9.232 -6.725 212 H LEU 29 H LEU 29 -3.411 -10.543 -7.674 213 HA LEU 29 HA LEU 29 -2.957 -8.118 -8.970 214 HB2 LEU 29 HB2 LEU 29 -5.160 -8.838 -10.157 215 HB3 LEU 29 HB3 LEU 29 -3.671 -9.733 -10.388 216 HG LEU 29 HG LEU 29 -5.286 -10.747 -8.154 217 HD11 LEU 29 HD11 LEU 29 -7.288 -10.545 -9.141 218 HD12 LEU 29 HD12 LEU 29 -6.583 -10.208 -10.740 219 HD13 LEU 29 HD13 LEU 29 -6.734 -11.888 -10.170 220 HD21 LEU 29 HD21 LEU 29 -4.554 -12.374 -10.544 221 HD22 LEU 29 HD22 LEU 29 -3.238 -11.718 -9.541 222 HD23 LEU 29 HD23 LEU 29 -4.474 -12.771 -8.811 223 H ILE 30 H ILE 30 -5.843 -9.236 -7.061 224 HA ILE 30 HA ILE 30 -7.151 -6.777 -7.178 225 HB ILE 30 HB ILE 30 -7.810 -9.251 -6.402 226 HG12 ILE 30 HG12 ILE 30 -9.223 -7.186 -7.007 227 HG13 ILE 30 HG13 ILE 30 -9.940 -8.416 -5.986 228 HG21 ILE 30 HG21 ILE 30 -8.167 -9.442 -4.059 229 HG22 ILE 30 HG22 ILE 30 -6.463 -8.984 -4.294 230 HG23 ILE 30 HG23 ILE 30 -7.650 -7.763 -3.773 231 HD11 ILE 30 HD11 ILE 30 -8.510 -6.005 -4.801 232 HD12 ILE 30 HD12 ILE 30 -10.236 -5.963 -5.235 233 HD13 ILE 30 HD13 ILE 30 -9.657 -7.107 -4.001 234 H ALA 31 H ALA 31 -4.518 -8.008 -5.141 235 HA ALA 31 HA ALA 31 -4.757 -6.112 -3.084 236 HB1 ALA 31 HB1 ALA 31 -3.478 -8.145 -2.793 237 HB2 ALA 31 HB2 ALA 31 -2.414 -7.729 -4.158 238 HB3 ALA 31 HB3 ALA 31 -2.359 -6.768 -2.661 239 H GLY 32 H GLY 32 -2.984 -6.161 -6.228 240 HA2 GLY 32 HA2 GLY 32 -1.598 -3.739 -5.856 241 HA3 GLY 32 HA3 GLY 32 -1.952 -4.529 -7.380 242 H LEU 33 H LEU 33 -4.736 -4.521 -7.519 243 HA LEU 33 HA LEU 33 -5.282 -1.992 -8.446 244 HB2 LEU 33 HB2 LEU 33 -6.555 -3.781 -9.240 245 HB3 LEU 33 HB3 LEU 33 -6.993 -4.319 -7.631 246 HG LEU 33 HG LEU 33 -8.026 -1.702 -7.862 247 HD11 LEU 33 HD11 LEU 33 -8.305 -3.284 -10.407 248 HD12 LEU 33 HD12 LEU 33 -9.573 -2.150 -9.882 249 HD13 LEU 33 HD13 LEU 33 -7.920 -1.561 -10.181 250 HD21 LEU 33 HD21 LEU 33 -10.119 -2.735 -7.473 251 HD22 LEU 33 HD22 LEU 33 -9.582 -4.272 -8.191 252 HD23 LEU 33 HD23 LEU 33 -8.907 -3.734 -6.635 253 H PHE 34 H PHE 34 -6.249 -3.492 -5.284 254 HA PHE 34 HA PHE 34 -7.600 -1.334 -4.271 255 HB2 PHE 34 HB2 PHE 34 -7.141 -3.789 -3.414 256 HB3 PHE 34 HB3 PHE 34 -5.662 -3.145 -2.728 257 HD1 PHE 34 HD1 PHE 34 -5.819 -1.340 -0.975 258 HD2 PHE 34 HD2 PHE 34 -9.215 -3.502 -2.316 259 HE1 PHE 34 HE1 PHE 34 -7.077 -0.640 1.081 260 HE2 PHE 34 HE2 PHE 34 -10.473 -2.802 -0.260 261 HZ PHE 34 HZ PHE 34 -9.389 -1.380 1.414 262 H VAL 35 H VAL 35 -4.072 -2.134 -3.934 263 HA VAL 35 HA VAL 35 -3.353 -0.034 -2.332 264 HB VAL 35 HB VAL 35 -2.010 -1.722 -4.387 265 HG11 VAL 35 HG11 VAL 35 0.145 -0.583 -4.021 266 HG12 VAL 35 HG12 VAL 35 -1.037 0.481 -4.820 267 HG13 VAL 35 HG13 VAL 35 -0.687 0.684 -3.086 268 HG21 VAL 35 HG21 VAL 35 -2.354 -2.564 -2.110 269 HG22 VAL 35 HG22 VAL 35 -0.620 -2.363 -2.462 270 HG23 VAL 35 HG23 VAL 35 -1.467 -1.169 -1.450 271 H GLY 36 H GLY 36 -3.873 -0.129 -5.891 272 HA2 GLY 36 HA2 GLY 36 -2.949 2.528 -6.348 273 HA3 GLY 36 HA3 GLY 36 -3.876 1.515 -7.438 274 H CYS 37 H CYS 37 -6.031 1.041 -5.342 275 HA CYS 37 HA CYS 37 -7.683 3.167 -6.102 276 HB2 CYS 37 HB2 CYS 37 -8.063 0.638 -5.048 277 HB3 CYS 37 HB3 CYS 37 -8.552 1.674 -3.722 278 HG CYS 37 HG CYS 37 -10.740 1.953 -4.585 279 H LEU 38 H LEU 38 -6.074 2.246 -2.974 280 HA LEU 38 HA LEU 38 -6.976 4.527 -1.591 281 HB2 LEU 38 HB2 LEU 38 -5.812 3.706 0.186 282 HB3 LEU 38 HB3 LEU 38 -6.103 2.249 -0.742 283 HG LEU 38 HG LEU 38 -3.709 2.842 -1.757 284 HD11 LEU 38 HD11 LEU 38 -2.212 3.870 -0.222 285 HD12 LEU 38 HD12 LEU 38 -3.604 4.965 -0.407 286 HD13 LEU 38 HD13 LEU 38 -3.458 3.949 1.047 287 HD21 LEU 38 HD21 LEU 38 -2.969 1.028 -0.632 288 HD22 LEU 38 HD22 LEU 38 -3.520 1.639 0.947 289 HD23 LEU 38 HD23 LEU 38 -4.684 0.897 -0.176 290 H ALA 39 H ALA 39 -4.007 3.747 -3.473 291 HA ALA 39 HA ALA 39 -2.504 5.953 -2.815 292 HB1 ALA 39 HB1 ALA 39 -1.670 5.586 -5.285 293 HB2 ALA 39 HB2 ALA 39 -1.418 4.312 -4.069 294 HB3 ALA 39 HB3 ALA 39 -2.754 4.175 -5.238 295 H GLY 40 H GLY 40 -5.096 5.579 -5.308 296 HA2 GLY 40 HA2 GLY 40 -4.843 8.165 -6.400 297 HA3 GLY 40 HA3 GLY 40 -6.232 7.102 -6.510 298 H TYR 41 H TYR 41 -7.152 6.790 -3.944 299 HA TYR 41 HA TYR 41 -8.595 9.074 -3.474 300 HB2 TYR 41 HB2 TYR 41 -8.741 6.583 -2.616 301 HB3 TYR 41 HB3 TYR 41 -7.583 7.053 -1.388 302 HD1 TYR 41 HD1 TYR 41 -11.039 7.542 -2.607 303 HD2 TYR 41 HD2 TYR 41 -8.241 8.381 0.519 304 HE1 TYR 41 HE1 TYR 41 -12.933 8.357 -1.121 305 HE2 TYR 41 HE2 TYR 41 -10.145 9.194 1.994 306 HH TYR 41 HH TYR 41 -13.373 8.578 1.273 307 H GLY 42 H GLY 42 -5.315 8.210 -2.394 308 HA2 GLY 42 HA2 GLY 42 -5.206 10.278 -0.385 309 HA3 GLY 42 HA3 GLY 42 -3.906 9.236 -0.928 310 H ALA 43 H ALA 43 -3.205 9.658 -3.359 311 HA ALA 43 HA ALA 43 -1.982 12.040 -3.553 312 HB1 ALA 43 HB1 ALA 43 -2.489 11.509 -6.186 313 HB2 ALA 43 HB2 ALA 43 -1.266 10.657 -5.213 314 HB3 ALA 43 HB3 ALA 43 -2.877 9.937 -5.448 315 H TYR 44 H TYR 44 -5.412 11.339 -4.104 316 HA TYR 44 HA TYR 44 -6.336 13.252 -5.691 317 HB2 TYR 44 HB2 TYR 44 -7.330 11.560 -3.778 318 HB3 TYR 44 HB3 TYR 44 -7.462 13.052 -2.869 319 HD1 TYR 44 HD1 TYR 44 -8.532 11.385 -6.025 320 HD2 TYR 44 HD2 TYR 44 -9.254 14.559 -3.248 321 HE1 TYR 44 HE1 TYR 44 -10.743 11.896 -7.172 322 HE2 TYR 44 HE2 TYR 44 -11.462 15.059 -4.405 323 HH TYR 44 HH TYR 44 -12.901 14.402 -5.892 324 H ARG 45 H ARG 45 -5.774 13.865 -2.145 325 HA ARG 45 HA ARG 45 -5.297 16.631 -2.919 326 HB2 ARG 45 HB2 ARG 45 -7.360 15.618 -1.228 327 HB3 ARG 45 HB3 ARG 45 -6.199 16.362 -0.146 328 HG2 ARG 45 HG2 ARG 45 -6.242 18.391 -1.793 329 HG3 ARG 45 HG3 ARG 45 -7.682 17.654 -2.468 330 HD2 ARG 45 HD2 ARG 45 -8.860 17.794 -0.344 331 HD3 ARG 45 HD3 ARG 45 -7.394 18.220 0.517 332 HE ARG 45 HE ARG 45 -7.958 20.116 -1.613 333 HH11 ARG 45 HH22 ARG 45 -8.832 19.233 1.679 334 HH12 ARG 45 HH21 ARG 45 -9.358 20.828 2.103 335 HH21 ARG 45 HH12 ARG 45 -8.652 22.221 -1.054 336 HH22 ARG 45 HH11 ARG 45 -9.255 22.539 0.538 337 H VAL 46 H VAL 46 -3.907 13.823 -1.841 338 HA VAL 46 HA VAL 46 -2.204 15.123 0.150 339 HB VAL 46 HB VAL 46 -3.424 12.627 0.010 340 HG11 VAL 46 HG11 VAL 46 -1.732 10.971 -0.174 341 HG12 VAL 46 HG12 VAL 46 -1.550 12.019 -1.602 342 HG13 VAL 46 HG13 VAL 46 -0.436 12.190 -0.224 343 HG21 VAL 46 HG21 VAL 46 -2.455 12.265 2.143 344 HG22 VAL 46 HG22 VAL 46 -1.045 13.284 1.764 345 HG23 VAL 46 HG23 VAL 46 -2.646 14.028 1.993 346 H SER 47 H SER 47 -2.399 14.433 -3.192 347 HA SER 47 HA SER 47 0.223 13.688 -3.701 348 HB2 SER 47 HB2 SER 47 -1.471 13.406 -5.401 349 HB3 SER 47 HB3 SER 47 -1.879 15.110 -5.379 350 HG SER 47 HG SER 47 0.817 14.396 -5.994 351 H ASN 48 H ASN 48 2.049 14.969 -4.474 352 HA ASN 48 HA ASN 48 3.295 16.751 -4.727 353 HB2 ASN 48 HB2 ASN 48 0.819 17.920 -5.118 354 HB3 ASN 48 HB3 ASN 48 1.360 18.796 -3.700 355 HD21 ASN 48 HD21 ASN 48 1.593 18.412 -7.057 356 HD22 ASN 48 HD22 ASN 48 2.865 19.538 -7.395 357 H ASP 49 H ASP 49 0.916 17.349 -2.020 358 HA ASP 49 HA ASP 49 2.823 18.460 -0.328 359 HB2 ASP 49 HB2 ASP 49 0.167 18.443 -0.284 360 HB3 ASP 49 HB3 ASP 49 0.368 16.992 0.677 361 H LYS 50 H LYS 50 2.315 15.256 -1.425 362 HA LYS 50 HA LYS 50 4.159 14.222 0.515 363 HB2 LYS 50 HB2 LYS 50 1.285 13.768 0.813 364 HB3 LYS 50 HB3 LYS 50 2.179 12.269 0.657 365 HG2 LYS 50 HG2 LYS 50 3.683 12.906 2.497 366 HG3 LYS 50 HG3 LYS 50 2.965 14.502 2.586 367 HD2 LYS 50 HD2 LYS 50 0.701 13.094 2.929 368 HD3 LYS 50 HD3 LYS 50 1.817 11.851 3.460 369 HE2 LYS 50 HE2 LYS 50 2.803 14.066 4.803 370 HE3 LYS 50 HE3 LYS 50 1.087 14.424 4.771 371 HZ1 LYS 50 HZ1 LYS 50 1.807 13.072 6.671 372 HZ2 LYS 50 HZ2 LYS 50 0.635 12.352 5.791 373 HZ3 LYS 50 HZ3 LYS 50 2.183 11.848 5.658 374 H ARG 51 H ARG 51 4.186 11.589 -0.034 375 HA ARG 51 HA ARG 51 5.318 11.492 -2.508 376 HB2 ARG 51 HB2 ARG 51 5.037 8.943 -2.237 377 HB3 ARG 51 HB3 ARG 51 5.851 9.766 -0.921 378 HG2 ARG 51 HG2 ARG 51 3.155 9.939 -0.184 379 HG3 ARG 51 HG3 ARG 51 3.248 8.358 -0.934 380 HD2 ARG 51 HD2 ARG 51 4.962 9.382 1.378 381 HD3 ARG 51 HD3 ARG 51 3.744 8.125 1.454 382 HE ARG 51 HE ARG 51 5.882 7.584 -0.487 383 HH11 ARG 51 HH22 ARG 51 4.833 7.222 2.853 384 HH12 ARG 51 HH21 ARG 51 5.870 5.870 3.166 385 HH21 ARG 51 HH12 ARG 51 7.250 5.800 -0.074 386 HH22 ARG 51 HH11 ARG 51 7.254 5.056 1.490 387 H ASP 52 H ASP 52 4.516 9.690 -4.244 388 HA ASP 52 HA ASP 52 1.691 9.601 -4.525 389 HB2 ASP 52 HB2 ASP 52 3.403 11.231 -6.457 390 HB3 ASP 52 HB3 ASP 52 1.785 10.680 -6.847 391 H VAL 53 H VAL 53 4.665 9.642 -6.649 392 HA VAL 53 HA VAL 53 3.867 7.070 -7.742 393 HB VAL 53 HB VAL 53 6.005 9.076 -8.474 394 HG11 VAL 53 HG11 VAL 53 5.250 6.571 -10.009 395 HG12 VAL 53 HG12 VAL 53 6.550 7.728 -10.382 396 HG13 VAL 53 HG13 VAL 53 6.667 6.693 -8.938 397 HG21 VAL 53 HG21 VAL 53 4.168 10.076 -9.345 398 HG22 VAL 53 HG22 VAL 53 4.384 8.873 -10.639 399 HG23 VAL 53 HG23 VAL 53 3.211 8.576 -9.334 400 H LYS 54 H LYS 54 6.194 8.572 -5.533 401 HA LYS 54 HA LYS 54 8.120 6.557 -5.549 402 HB2 LYS 54 HB2 LYS 54 7.292 8.670 -3.565 403 HB3 LYS 54 HB3 LYS 54 8.530 7.498 -3.159 404 HG2 LYS 54 HG2 LYS 54 9.075 8.490 -5.820 405 HG3 LYS 54 HG3 LYS 54 8.786 9.868 -4.776 406 HD2 LYS 54 HD2 LYS 54 10.429 8.828 -3.106 407 HD3 LYS 54 HD3 LYS 54 10.816 7.634 -4.328 408 HE2 LYS 54 HE2 LYS 54 11.166 9.822 -5.859 409 HE3 LYS 54 HE3 LYS 54 11.418 10.591 -4.304 410 HZ1 LYS 54 HZ1 LYS 54 13.211 9.226 -3.864 411 HZ2 LYS 54 HZ2 LYS 54 12.807 8.111 -4.986 412 HZ3 LYS 54 HZ3 LYS 54 13.398 9.560 -5.452 413 H VAL 55 H VAL 55 5.041 6.951 -3.725 414 HA VAL 55 HA VAL 55 5.472 4.639 -2.139 415 HB VAL 55 HB VAL 55 4.075 6.403 -1.351 416 HG11 VAL 55 HG11 VAL 55 3.083 6.429 -4.050 417 HG12 VAL 55 HG12 VAL 55 1.718 6.246 -2.922 418 HG13 VAL 55 HG13 VAL 55 2.837 7.620 -2.750 419 HG21 VAL 55 HG21 VAL 55 2.205 5.179 -0.578 420 HG22 VAL 55 HG22 VAL 55 2.155 4.169 -2.043 421 HG23 VAL 55 HG23 VAL 55 3.475 3.966 -0.866 422 H SER 56 H SER 56 4.111 5.321 -5.353 423 HA SER 56 HA SER 56 2.632 3.026 -5.657 424 HB2 SER 56 HB2 SER 56 3.177 5.215 -7.201 425 HB3 SER 56 HB3 SER 56 4.141 4.017 -8.042 426 HG SER 56 HG SER 56 1.470 3.307 -7.328 427 H LEU 57 H LEU 57 6.080 3.710 -6.602 428 HA LEU 57 HA LEU 57 6.560 1.062 -7.454 429 HB2 LEU 57 HB2 LEU 57 7.761 3.379 -7.905 430 HB3 LEU 57 HB3 LEU 57 8.752 2.873 -6.551 431 HG LEU 57 HG LEU 57 8.306 1.066 -8.927 432 HD11 LEU 57 HD11 LEU 57 10.691 2.004 -9.553 433 HD12 LEU 57 HD12 LEU 57 9.203 2.810 -10.106 434 HD13 LEU 57 HD13 LEU 57 10.095 3.452 -8.706 435 HD21 LEU 57 HD21 LEU 57 10.793 1.156 -7.266 436 HD22 LEU 57 HD22 LEU 57 9.333 0.387 -6.599 437 HD23 LEU 57 HD23 LEU 57 10.035 -0.206 -8.124 438 H PHE 58 H PHE 58 7.679 2.879 -4.506 439 HA PHE 58 HA PHE 58 8.908 0.875 -3.200 440 HB2 PHE 58 HB2 PHE 58 7.146 3.232 -2.455 441 HB3 PHE 58 HB3 PHE 58 7.593 2.145 -1.154 442 HD1 PHE 58 HD1 PHE 58 9.298 3.825 -4.031 443 HD2 PHE 58 HD2 PHE 58 9.422 2.779 0.080 444 HE1 PHE 58 HE1 PHE 58 11.497 5.013 -3.795 445 HE2 PHE 58 HE2 PHE 58 11.621 3.967 0.315 446 HZ PHE 58 HZ PHE 58 12.632 5.069 -1.625 447 H THR 59 H THR 59 5.360 1.429 -3.452 448 HA THR 59 HA THR 59 4.686 -0.603 -1.581 449 HB THR 59 HB THR 59 3.163 0.898 -3.771 450 HG1 THR 59 HG1 THR 59 2.348 1.793 -1.588 451 HG21 THR 59 HG21 THR 59 1.130 0.209 -2.423 452 HG22 THR 59 HG22 THR 59 1.900 -1.161 -3.260 453 HG23 THR 59 HG23 THR 59 2.166 -0.920 -1.516 454 H ALA 60 H ALA 60 4.584 -0.487 -5.207 455 HA ALA 60 HA ALA 60 3.738 -3.040 -5.639 456 HB1 ALA 60 HB1 ALA 60 5.724 -1.306 -7.154 457 HB2 ALA 60 HB2 ALA 60 5.057 -2.825 -7.796 458 HB3 ALA 60 HB3 ALA 60 3.974 -1.459 -7.437 459 H PHE 61 H PHE 61 7.072 -1.864 -4.912 460 HA PHE 61 HA PHE 61 8.273 -4.390 -5.242 461 HB2 PHE 61 HB2 PHE 61 8.972 -1.688 -4.765 462 HB3 PHE 61 HB3 PHE 61 9.438 -2.474 -3.269 463 HD1 PHE 61 HD1 PHE 61 11.153 -4.260 -3.292 464 HD2 PHE 61 HD2 PHE 61 10.195 -2.057 -6.790 465 HE1 PHE 61 HE1 PHE 61 13.288 -5.032 -4.363 466 HE2 PHE 61 HE2 PHE 61 12.330 -2.830 -7.861 467 HZ PHE 61 HZ PHE 61 13.851 -4.308 -6.635 468 H PHE 62 H PHE 62 6.788 -2.661 -2.465 469 HA PHE 62 HA PHE 62 7.735 -4.458 -0.513 470 HB2 PHE 62 HB2 PHE 62 6.104 -2.072 -0.817 471 HB3 PHE 62 HB3 PHE 62 5.153 -3.224 0.100 472 HD1 PHE 62 HD2 PHE 62 6.855 -4.534 1.901 473 HD2 PHE 62 HD1 PHE 62 7.149 -0.531 0.524 474 HE1 PHE 62 HE2 PHE 62 8.107 -3.909 3.985 475 HE2 PHE 62 HE1 PHE 62 8.401 0.094 2.609 476 HZ PHE 62 HZ PHE 62 8.864 -1.603 4.314 477 H LEU 63 H LEU 63 4.331 -3.974 -1.711 478 HA LEU 63 HA LEU 63 3.278 -6.235 -0.601 479 HB2 LEU 63 HB2 LEU 63 2.517 -4.237 -2.479 480 HB3 LEU 63 HB3 LEU 63 2.061 -5.793 -3.144 481 HG LEU 63 HG LEU 63 0.994 -6.234 -0.813 482 HD11 LEU 63 HD11 LEU 63 2.129 -4.104 0.102 483 HD12 LEU 63 HD12 LEU 63 0.806 -3.231 -0.708 484 HD13 LEU 63 HD13 LEU 63 0.439 -4.433 0.552 485 HD21 LEU 63 HD21 LEU 63 -1.092 -5.020 -1.536 486 HD22 LEU 63 HD22 LEU 63 -0.139 -4.327 -2.870 487 HD23 LEU 63 HD23 LEU 63 -0.363 -6.089 -2.759 488 H ALA 64 H ALA 64 5.092 -5.856 -3.681 489 HA ALA 64 HA ALA 64 4.612 -8.395 -4.696 490 HB1 ALA 64 HB1 ALA 64 5.570 -6.710 -6.091 491 HB2 ALA 64 HB2 ALA 64 6.916 -6.435 -4.959 492 HB3 ALA 64 HB3 ALA 64 6.831 -7.950 -5.889 493 H THR 65 H THR 65 7.314 -7.175 -2.598 494 HA THR 65 HA THR 65 8.625 -9.623 -2.362 495 HB THR 65 HB THR 65 8.452 -7.084 -0.679 496 HG1 THR 65 HG1 THR 65 10.221 -6.677 -1.988 497 HG21 THR 65 HG21 THR 65 9.883 -9.685 -0.131 498 HG22 THR 65 HG22 THR 65 10.798 -8.176 0.104 499 HG23 THR 65 HG23 THR 65 9.298 -8.459 1.019 500 H ILE 66 H ILE 66 6.171 -8.113 -0.161 501 HA ILE 66 HA ILE 66 6.099 -10.135 1.689 502 HB ILE 66 HB ILE 66 3.934 -8.287 0.692 503 HG12 ILE 66 HG12 ILE 66 5.478 -8.072 3.272 504 HG13 ILE 66 HG13 ILE 66 6.130 -7.430 1.778 505 HG21 ILE 66 HG21 ILE 66 2.655 -8.806 2.657 506 HG22 ILE 66 HG22 ILE 66 2.988 -10.318 1.779 507 HG23 ILE 66 HG23 ILE 66 3.916 -9.917 3.245 508 HD11 ILE 66 HD11 ILE 66 4.505 -5.773 1.603 509 HD12 ILE 66 HD12 ILE 66 3.280 -6.738 2.460 510 HD13 ILE 66 HD13 ILE 66 4.582 -5.938 3.373 511 H MET 67 H MET 67 3.811 -9.742 -1.114 512 HA MET 67 HA MET 67 2.452 -12.010 -0.886 513 HB2 MET 67 HB2 MET 67 3.362 -10.267 -3.123 514 HB3 MET 67 HB3 MET 67 2.961 -11.889 -3.651 515 HG2 MET 67 HG2 MET 67 0.900 -10.693 -3.801 516 HG3 MET 67 HG3 MET 67 0.750 -11.626 -2.325 517 HE1 MET 67 HE1 MET 67 -0.264 -10.812 -0.588 518 HE2 MET 67 HE2 MET 67 1.206 -10.317 0.286 519 HE3 MET 67 HE3 MET 67 -0.176 -9.201 0.164 520 H GLY 68 H GLY 68 5.486 -11.759 -2.891 521 HA2 GLY 68 HA2 GLY 68 6.881 -13.370 -3.639 522 HA3 GLY 68 HA3 GLY 68 6.851 -13.910 -1.972 523 H VAL 69 H VAL 69 3.902 -13.911 -3.976 524 HA VAL 69 HA VAL 69 3.083 -16.403 -3.407 525 HB VAL 69 HB VAL 69 2.818 -14.773 -5.929 526 HG11 VAL 69 HG11 VAL 69 0.724 -16.346 -6.214 527 HG12 VAL 69 HG12 VAL 69 2.319 -16.840 -6.830 528 HG13 VAL 69 HG13 VAL 69 1.720 -17.493 -5.286 529 HG21 VAL 69 HG21 VAL 69 0.658 -15.360 -3.911 530 HG22 VAL 69 HG22 VAL 69 1.854 -14.075 -3.616 531 HG23 VAL 69 HG23 VAL 69 0.801 -14.000 -5.050 532 H ARG 70 H ARG 70 5.184 -15.500 -6.230 533 HA ARG 70 HA ARG 70 6.257 -18.182 -6.052 534 HB2 ARG 70 HB2 ARG 70 4.455 -17.450 -8.065 535 HB3 ARG 70 HB3 ARG 70 6.005 -17.189 -8.839 536 HG2 ARG 70 HG2 ARG 70 5.862 -19.434 -9.302 537 HG3 ARG 70 HG3 ARG 70 6.502 -19.609 -7.680 538 HD2 ARG 70 HD2 ARG 70 4.467 -20.299 -6.793 539 HD3 ARG 70 HD3 ARG 70 3.525 -19.302 -7.883 540 HE ARG 70 HE ARG 70 4.667 -21.184 -9.571 541 HH11 ARG 70 HH22 ARG 70 2.729 -21.378 -6.640 542 HH12 ARG 70 HH21 ARG 70 2.004 -22.891 -7.067 543 HH21 ARG 70 HH12 ARG 70 3.710 -23.182 -10.134 544 HH22 ARG 70 HH11 ARG 70 2.566 -23.925 -9.068 545 H PHE 71 H PHE 71 8.239 -17.365 -5.212 546 HA PHE 71 HA PHE 71 9.511 -15.074 -6.070 547 HB2 PHE 71 HB2 PHE 71 10.152 -16.270 -4.031 548 HB3 PHE 71 HB3 PHE 71 10.387 -17.770 -4.906 549 HD1 PHE 71 HD2 PHE 71 12.411 -18.122 -6.249 550 HD2 PHE 71 HD1 PHE 71 11.875 -14.582 -3.970 551 HE1 PHE 71 HE2 PHE 71 14.860 -17.612 -6.463 552 HE2 PHE 71 HE1 PHE 71 14.323 -14.073 -4.184 553 HZ PHE 71 HZ PHE 71 15.787 -15.594 -5.428 554 H LYS 72 H LYS 72 10.889 -14.543 -7.744 555 HA LYS 72 HA LYS 72 11.816 -16.732 -9.441 556 HB2 LYS 72 HB2 LYS 72 9.645 -15.103 -10.132 557 HB3 LYS 72 HB3 LYS 72 10.997 -14.423 -11.014 558 HG2 LYS 72 HG2 LYS 72 10.144 -16.113 -12.460 559 HG3 LYS 72 HG3 LYS 72 11.567 -16.840 -11.739 560 HD2 LYS 72 HD2 LYS 72 10.284 -18.210 -10.270 561 HD3 LYS 72 HD3 LYS 72 8.852 -17.212 -10.433 562 HE2 LYS 72 HE2 LYS 72 8.189 -18.844 -11.908 563 HE3 LYS 72 HE3 LYS 72 9.179 -17.952 -13.046 564 HZ1 LYS 72 HZ1 LYS 72 10.573 -19.864 -11.407 565 HZ2 LYS 72 HZ2 LYS 72 9.542 -20.494 -12.506 566 HZ3 LYS 72 HZ3 LYS 72 10.758 -19.519 -12.993 567 H ARG 73 H ARG 73 13.427 -15.687 -11.166 568 HA ARG 73 HA ARG 73 15.324 -14.329 -9.532 569 HB2 ARG 73 HB2 ARG 73 16.821 -14.613 -11.550 570 HB3 ARG 73 HB3 ARG 73 16.120 -16.120 -10.997 571 HG2 ARG 73 HG2 ARG 73 14.498 -16.150 -12.776 572 HG3 ARG 73 HG3 ARG 73 14.780 -14.466 -13.172 573 HD2 ARG 73 HD2 ARG 73 17.193 -15.126 -13.785 574 HD3 ARG 73 HD3 ARG 73 16.699 -16.799 -13.617 575 HE ARG 73 HE ARG 73 14.795 -15.591 -15.319 576 HH11 ARG 73 HH22 ARG 73 18.253 -16.240 -15.348 577 HH12 ARG 73 HH21 ARG 73 18.347 -16.355 -17.073 578 HH21 ARG 73 HH12 ARG 73 14.918 -15.742 -17.595 579 HH22 ARG 73 HH11 ARG 73 16.437 -16.069 -18.361 580 H SER 74 H SER 74 12.949 -13.569 -12.011 581 HA SER 74 HA SER 74 12.927 -10.930 -11.636 582 HB2 SER 74 HB2 SER 74 14.189 -10.136 -13.788 583 HB3 SER 74 HB3 SER 74 15.113 -10.443 -12.330 584 HG SER 74 HG SER 74 16.239 -11.853 -13.467 585 H LYS 75 H LYS 75 10.768 -12.049 -12.016 586 HA LYS 75 HA LYS 75 10.175 -12.117 -14.894 587 HB2 LYS 75 HB2 LYS 75 9.637 -14.038 -12.764 588 HB3 LYS 75 HB3 LYS 75 8.168 -13.550 -13.585 589 HG2 LYS 75 HG2 LYS 75 9.527 -13.931 -15.800 590 HG3 LYS 75 HG3 LYS 75 10.658 -14.808 -14.790 591 HD2 LYS 75 HD2 LYS 75 8.634 -16.172 -13.936 592 HD3 LYS 75 HD3 LYS 75 7.706 -15.432 -15.225 593 HE2 LYS 75 HE2 LYS 75 9.336 -16.321 -16.908 594 HE3 LYS 75 HE3 LYS 75 10.262 -17.063 -15.619 595 HZ1 LYS 75 HZ1 LYS 75 8.730 -18.605 -16.627 596 HZ2 LYS 75 HZ2 LYS 75 8.337 -18.375 -15.059 597 HZ3 LYS 75 HZ3 LYS 75 7.452 -17.668 -16.235 598 H LYS 76 H LYS 76 8.811 -11.452 -11.597 599 HA LYS 76 HA LYS 76 7.268 -10.023 -10.916 600 HB2 LYS 76 HB2 LYS 76 8.809 -8.498 -12.961 601 HB3 LYS 76 HB3 LYS 76 7.309 -7.783 -12.406 602 HG2 LYS 76 HG2 LYS 76 8.091 -7.452 -10.251 603 HG3 LYS 76 HG3 LYS 76 9.060 -8.912 -10.259 604 HD2 LYS 76 HD2 LYS 76 10.842 -7.870 -11.477 605 HD3 LYS 76 HD3 LYS 76 9.827 -6.539 -11.997 606 HE2 LYS 76 HE2 LYS 76 9.891 -6.706 -9.070 607 HE3 LYS 76 HE3 LYS 76 11.516 -6.605 -9.718 608 HZ1 LYS 76 HZ1 LYS 76 10.540 -4.738 -11.129 609 HZ2 LYS 76 HZ2 LYS 76 9.322 -4.712 -10.041 610 HZ3 LYS 76 HZ3 LYS 76 10.856 -4.432 -9.556 611 H ILE 77 H ILE 77 6.281 -12.130 -12.468 612 HA ILE 77 HA ILE 77 4.284 -10.822 -14.167 613 HB ILE 77 HB ILE 77 5.866 -12.700 -14.978 614 HG12 ILE 77 HG12 ILE 77 3.020 -13.357 -15.592 615 HG13 ILE 77 HG13 ILE 77 3.553 -11.718 -15.907 616 HG21 ILE 77 HG21 ILE 77 5.057 -14.969 -14.623 617 HG22 ILE 77 HG22 ILE 77 5.509 -14.212 -13.077 618 HG23 ILE 77 HG23 ILE 77 3.793 -14.367 -13.524 619 HD11 ILE 77 HD11 ILE 77 4.861 -12.348 -17.671 620 HD12 ILE 77 HD12 ILE 77 5.483 -13.779 -16.814 621 HD13 ILE 77 HD13 ILE 77 3.904 -13.849 -17.633 622 H MET 78 H MET 78 4.830 -12.148 -11.051 623 HA MET 78 HA MET 78 2.267 -13.281 -10.702 624 HB2 MET 78 HB2 MET 78 4.755 -12.916 -9.210 625 HB3 MET 78 HB3 MET 78 3.408 -12.465 -8.184 626 HG2 MET 78 HG2 MET 78 3.708 -14.818 -7.827 627 HG3 MET 78 HG3 MET 78 2.296 -14.689 -8.857 628 HE1 MET 78 HE1 MET 78 1.872 -15.743 -10.599 629 HE2 MET 78 HE2 MET 78 2.918 -16.477 -11.839 630 HE3 MET 78 HE3 MET 78 2.635 -17.323 -10.299 631 HA PRO 79 HA PRO 79 1.460 -9.119 -8.573 632 HB2 PRO 79 HB2 PRO 79 3.262 -7.079 -8.822 633 HB3 PRO 79 HB3 PRO 79 3.225 -8.162 -7.445 634 HG2 PRO 79 HG2 PRO 79 5.129 -8.102 -9.705 635 HG3 PRO 79 HG3 PRO 79 5.308 -8.868 -8.138 636 HD2 PRO 79 HD2 PRO 79 4.702 -10.165 -10.624 637 HD3 PRO 79 HD3 PRO 79 4.767 -10.912 -9.039 638 H ALA 80 H ALA 80 0.502 -9.904 -10.881 639 HA ALA 80 HA ALA 80 0.857 -8.221 -13.031 640 HB1 ALA 80 HB1 ALA 80 -0.355 -10.383 -13.050 641 HB2 ALA 80 HB2 ALA 80 -1.675 -9.643 -12.113 642 HB3 ALA 80 HB3 ALA 80 -1.329 -9.077 -13.765 643 H GLY 81 H GLY 81 -1.614 -8.016 -10.372 644 HA2 GLY 81 HA2 GLY 81 -2.554 -5.460 -11.282 645 HA3 GLY 81 HA3 GLY 81 -3.011 -6.316 -9.823 646 H LEU 82 H LEU 82 -0.179 -6.700 -8.904 647 HA LEU 82 HA LEU 82 0.039 -4.405 -7.350 648 HB2 LEU 82 HB2 LEU 82 1.342 -6.933 -7.651 649 HB3 LEU 82 HB3 LEU 82 2.567 -5.684 -7.546 650 HG LEU 82 HG LEU 82 0.316 -5.968 -5.542 651 HD11 LEU 82 HD11 LEU 82 3.095 -6.845 -4.892 652 HD12 LEU 82 HD12 LEU 82 1.533 -7.388 -4.235 653 HD13 LEU 82 HD13 LEU 82 2.061 -7.937 -5.843 654 HD21 LEU 82 HD21 LEU 82 1.220 -4.255 -4.392 655 HD22 LEU 82 HD22 LEU 82 2.890 -4.710 -4.806 656 HD23 LEU 82 HD23 LEU 82 1.895 -3.814 -5.978 657 H VAL 83 H VAL 83 2.192 -5.493 -10.076 658 HA VAL 83 HA VAL 83 3.525 -3.025 -10.211 659 HB VAL 83 HB VAL 83 3.225 -5.357 -12.101 660 HG11 VAL 83 HG11 VAL 83 5.186 -3.065 -12.413 661 HG12 VAL 83 HG12 VAL 83 4.927 -4.439 -13.514 662 HG13 VAL 83 HG13 VAL 83 3.664 -3.198 -13.327 663 HG21 VAL 83 HG21 VAL 83 5.870 -5.144 -11.315 664 HG22 VAL 83 HG22 VAL 83 4.975 -4.685 -9.847 665 HG23 VAL 83 HG23 VAL 83 4.660 -6.254 -10.627 666 H ALA 84 H ALA 84 0.838 -4.476 -12.169 667 HA ALA 84 HA ALA 84 0.512 -2.462 -13.982 668 HB1 ALA 84 HB1 ALA 84 -0.686 -4.566 -14.113 669 HB2 ALA 84 HB2 ALA 84 -1.543 -4.224 -12.591 670 HB3 ALA 84 HB3 ALA 84 -1.879 -3.246 -14.040 671 H GLY 85 H GLY 85 -0.332 -2.558 -10.524 672 HA2 GLY 85 HA2 GLY 85 -2.019 -0.246 -10.594 673 HA3 GLY 85 HA3 GLY 85 -1.361 -1.051 -9.184 674 H LEU 86 H LEU 86 1.416 -0.927 -9.627 675 HA LEU 86 HA LEU 86 2.055 1.556 -8.672 676 HB2 LEU 86 HB2 LEU 86 4.012 0.584 -8.413 677 HB3 LEU 86 HB3 LEU 86 3.357 -0.825 -9.224 678 HG LEU 86 HG LEU 86 4.124 0.287 -11.416 679 HD11 LEU 86 HD11 LEU 86 6.290 1.690 -10.049 680 HD12 LEU 86 HD12 LEU 86 5.275 2.196 -11.421 681 HD13 LEU 86 HD13 LEU 86 4.694 2.421 -9.754 682 HD21 LEU 86 HD21 LEU 86 5.887 -1.099 -11.375 683 HD22 LEU 86 HD22 LEU 86 6.582 -0.344 -9.920 684 HD23 LEU 86 HD23 LEU 86 5.281 -1.548 -9.763 685 H SER 87 H SER 87 2.025 0.375 -12.083 686 HA SER 87 HA SER 87 3.039 2.773 -13.106 687 HB2 SER 87 HB2 SER 87 1.757 0.297 -14.204 688 HB3 SER 87 HB3 SER 87 1.722 1.711 -15.238 689 HG SER 87 HG SER 87 3.961 1.786 -15.297 690 H LEU 88 H LEU 88 -0.307 1.368 -12.907 691 HA LEU 88 HA LEU 88 -1.729 3.288 -14.162 692 HB2 LEU 88 HB2 LEU 88 -2.275 1.099 -12.629 693 HB3 LEU 88 HB3 LEU 88 -2.900 2.385 -11.616 694 HG LEU 88 HG LEU 88 -4.087 3.168 -13.836 695 HD11 LEU 88 HD11 LEU 88 -3.879 0.202 -14.390 696 HD12 LEU 88 HD12 LEU 88 -4.629 1.466 -15.394 697 HD13 LEU 88 HD13 LEU 88 -2.861 1.423 -15.192 698 HD21 LEU 88 HD21 LEU 88 -4.883 1.003 -11.915 699 HD22 LEU 88 HD22 LEU 88 -5.475 2.676 -12.058 700 HD23 LEU 88 HD23 LEU 88 -5.963 1.453 -13.256 701 H MET 89 H MET 89 -0.293 3.427 -10.872 702 HA MET 89 HA MET 89 -1.536 5.874 -10.247 703 HB2 MET 89 HB2 MET 89 0.069 3.894 -8.959 704 HB3 MET 89 HB3 MET 89 1.013 5.367 -8.857 705 HG2 MET 89 HG2 MET 89 -1.842 4.943 -7.864 706 HG3 MET 89 HG3 MET 89 -0.421 5.258 -6.889 707 HE1 MET 89 HE1 MET 89 1.183 7.019 -7.717 708 HE2 MET 89 HE2 MET 89 0.774 8.086 -9.081 709 HE3 MET 89 HE3 MET 89 0.621 8.679 -7.410 710 H MET 90 H MET 90 1.943 5.051 -10.957 711 HA MET 90 HA MET 90 2.923 7.552 -11.021 712 HB2 MET 90 HB2 MET 90 4.240 5.433 -11.298 713 HB3 MET 90 HB3 MET 90 3.570 5.213 -12.902 714 HG2 MET 90 HG2 MET 90 4.624 7.842 -12.936 715 HG3 MET 90 HG3 MET 90 5.811 6.908 -12.048 716 HE1 MET 90 HE1 MET 90 7.687 5.714 -13.271 717 HE2 MET 90 HE2 MET 90 6.505 4.443 -12.878 718 HE3 MET 90 HE3 MET 90 7.282 4.471 -14.479 719 H ILE 91 H ILE 91 0.734 6.052 -13.336 720 HA ILE 91 HA ILE 91 1.288 8.045 -15.359 721 HB ILE 91 HB ILE 91 -0.495 5.633 -15.178 722 HG12 ILE 91 HG12 ILE 91 1.509 6.170 -17.338 723 HG13 ILE 91 HG13 ILE 91 2.094 5.706 -15.752 724 HG21 ILE 91 HG21 ILE 91 -1.932 6.514 -16.620 725 HG22 ILE 91 HG22 ILE 91 -0.966 8.004 -16.753 726 HG23 ILE 91 HG23 ILE 91 -0.610 6.616 -17.809 727 HD11 ILE 91 HD11 ILE 91 1.023 4.008 -17.785 728 HD12 ILE 91 HD12 ILE 91 1.557 3.546 -16.151 729 HD13 ILE 91 HD13 ILE 91 -0.141 3.997 -16.437 730 H LEU 92 H LEU 92 -1.345 7.097 -13.070 731 HA LEU 92 HA LEU 92 -3.206 8.969 -13.834 732 HB2 LEU 92 HB2 LEU 92 -4.027 7.429 -12.385 733 HB3 LEU 92 HB3 LEU 92 -2.594 7.428 -11.375 734 HG LEU 92 HG LEU 92 -4.290 9.888 -11.371 735 HD11 LEU 92 HD11 LEU 92 -5.091 7.660 -9.543 736 HD12 LEU 92 HD12 LEU 92 -6.025 9.059 -10.126 737 HD13 LEU 92 HD13 LEU 92 -5.718 7.680 -11.209 738 HD21 LEU 92 HD21 LEU 92 -2.052 9.320 -10.066 739 HD22 LEU 92 HD22 LEU 92 -3.349 10.297 -9.335 740 HD23 LEU 92 HD23 LEU 92 -3.197 8.571 -8.927 741 H ARG 93 H ARG 93 -0.140 9.366 -12.133 742 HA ARG 93 HA ARG 93 -0.894 12.032 -11.353 743 HB2 ARG 93 HB2 ARG 93 1.074 10.051 -10.487 744 HB3 ARG 93 HB3 ARG 93 1.876 11.575 -10.811 745 HG2 ARG 93 HG2 ARG 93 -0.691 11.778 -9.288 746 HG3 ARG 93 HG3 ARG 93 0.620 10.980 -8.443 747 HD2 ARG 93 HD2 ARG 93 0.960 13.686 -9.815 748 HD3 ARG 93 HD3 ARG 93 0.471 13.533 -8.139 749 HE ARG 93 HE ARG 93 2.881 11.995 -8.759 750 HH11 ARG 93 HH22 ARG 93 1.656 15.163 -7.838 751 HH12 ARG 93 HH21 ARG 93 3.149 15.675 -7.126 752 HH21 ARG 93 HH12 ARG 93 4.852 12.671 -7.819 753 HH22 ARG 93 HH11 ARG 93 4.980 14.248 -7.116 754 H LEU 94 H LEU 94 1.543 10.284 -13.393 755 HA LEU 94 HA LEU 94 2.838 12.560 -14.349 756 HB2 LEU 94 HB2 LEU 94 3.857 10.422 -14.503 757 HB3 LEU 94 HB3 LEU 94 2.518 9.763 -15.421 758 HG LEU 94 HG LEU 94 3.994 12.069 -16.611 759 HD11 LEU 94 HD11 LEU 94 5.839 10.745 -15.789 760 HD12 LEU 94 HD12 LEU 94 5.128 9.263 -16.471 761 HD13 LEU 94 HD13 LEU 94 5.708 10.550 -17.554 762 HD21 LEU 94 HD21 LEU 94 3.330 9.631 -18.156 763 HD22 LEU 94 HD22 LEU 94 1.952 10.541 -17.492 764 HD23 LEU 94 HD23 LEU 94 3.121 11.351 -18.563 765 H VAL 95 H VAL 95 -0.362 11.389 -14.872 766 HA VAL 95 HA VAL 95 -0.692 12.290 -17.533 767 HB VAL 95 HB VAL 95 -2.459 11.457 -15.267 768 HG11 VAL 95 HG11 VAL 95 -3.308 12.996 -17.712 769 HG12 VAL 95 HG12 VAL 95 -4.383 11.767 -17.005 770 HG13 VAL 95 HG13 VAL 95 -3.854 13.156 -16.026 771 HG21 VAL 95 HG21 VAL 95 -2.540 9.510 -16.369 772 HG22 VAL 95 HG22 VAL 95 -2.925 10.311 -17.911 773 HG23 VAL 95 HG23 VAL 95 -1.230 10.144 -17.394 774 H LEU 96 H LEU 96 -1.247 13.734 -14.270 775 HA LEU 96 HA LEU 96 -2.005 16.232 -15.553 776 HB2 LEU 96 HB2 LEU 96 -2.558 16.947 -13.274 777 HB3 LEU 96 HB3 LEU 96 -3.426 15.513 -13.784 778 HG LEU 96 HG LEU 96 -1.057 14.657 -12.434 779 HD11 LEU 96 HD11 LEU 96 -0.868 15.837 -10.521 780 HD12 LEU 96 HD12 LEU 96 -1.543 17.148 -11.518 781 HD13 LEU 96 HD13 LEU 96 -2.607 16.209 -10.444 782 HD21 LEU 96 HD21 LEU 96 -2.495 13.274 -11.325 783 HD22 LEU 96 HD22 LEU 96 -3.747 14.527 -11.145 784 HD23 LEU 96 HD23 LEU 96 -3.518 13.718 -12.713 785 H LEU 97 H LEU 97 0.758 15.022 -15.725 786 HA LEU 97 HA LEU 97 2.894 15.526 -15.249 787 HB2 LEU 97 HB2 LEU 97 1.886 17.142 -17.011 788 HB3 LEU 97 HB3 LEU 97 2.060 18.363 -15.766 789 HG LEU 97 HG LEU 97 4.432 16.667 -16.469 790 HD11 LEU 97 HD11 LEU 97 3.409 18.988 -18.123 791 HD12 LEU 97 HD12 LEU 97 5.053 18.314 -18.230 792 HD13 LEU 97 HD13 LEU 97 3.648 17.304 -18.648 793 HD21 LEU 97 HD21 LEU 97 3.949 19.405 -15.321 794 HD22 LEU 97 HD22 LEU 97 4.904 18.052 -14.669 795 HD23 LEU 97 HD23 LEU 97 5.516 18.986 -16.055 796 H LEU 98 H LEU 98 1.491 15.215 -12.835 797 HA LEU 98 HA LEU 98 1.320 15.959 -10.717 798 HB2 LEU 98 HB2 LEU 98 3.645 16.296 -9.747 799 HB3 LEU 98 HB3 LEU 98 3.285 14.769 -10.528 800 HG LEU 98 HG LEU 98 4.376 15.867 -12.635 801 HD11 LEU 98 HD11 LEU 98 4.818 17.901 -10.609 802 HD12 LEU 98 HD12 LEU 98 6.347 17.326 -11.316 803 HD13 LEU 98 HD13 LEU 98 5.063 17.965 -12.371 804 HD21 LEU 98 HD21 LEU 98 5.213 14.038 -10.861 805 HD22 LEU 98 HD22 LEU 98 6.214 14.613 -12.216 806 HD23 LEU 98 HD23 LEU 98 6.448 15.290 -10.587 807 H LEU 99 H LEU 99 0.622 18.042 -12.598 808 HA LEU 99 HA LEU 99 1.836 20.431 -12.365 809 HB2 LEU 99 HB2 LEU 99 -0.000 21.202 -13.336 810 HB3 LEU 99 HB3 LEU 99 -0.513 19.527 -13.359 811 HG LEU 99 HG LEU 99 -1.463 20.206 -10.936 812 HD11 LEU 99 HD11 LEU 99 -2.435 22.463 -11.017 813 HD12 LEU 99 HD12 LEU 99 -0.656 22.497 -11.007 814 HD13 LEU 99 HD13 LEU 99 -1.543 22.787 -12.523 815 HD21 LEU 99 HD21 LEU 99 -3.583 20.972 -12.412 816 HD22 LEU 99 HD22 LEU 99 -2.595 20.199 -13.675 817 HD23 LEU 99 HD23 LEU 99 -3.066 19.279 -12.226 Start of MODEL 12 1 H MET 1 H1 MET 1 4.831 -4.126 27.305 2 HA MET 1 HA MET 1 2.798 -4.981 28.313 3 HB2 MET 1 HB2 MET 1 1.929 -3.691 30.304 4 HB3 MET 1 HB3 MET 1 3.439 -4.507 30.661 5 HG2 MET 1 HG2 MET 1 4.352 -2.069 29.698 6 HG3 MET 1 HG3 MET 1 2.862 -1.591 30.486 7 HE1 MET 1 HE1 MET 1 6.665 -1.790 31.672 8 HE2 MET 1 HE2 MET 1 5.482 -0.643 31.001 9 HE3 MET 1 HE3 MET 1 5.786 -0.684 32.754 10 H ASP 2 H ASP 2 1.402 -4.340 26.734 11 HA ASP 2 HA ASP 2 1.628 -1.921 25.445 12 HB2 ASP 2 HB2 ASP 2 -0.545 -4.025 25.642 13 HB3 ASP 2 HB3 ASP 2 -0.865 -2.546 24.758 14 H LEU 3 H LEU 3 -0.186 -0.193 25.330 15 HA LEU 3 HA LEU 3 -1.122 0.343 28.050 16 HB2 LEU 3 HB2 LEU 3 0.060 1.927 25.948 17 HB3 LEU 3 HB3 LEU 3 -1.493 2.594 26.410 18 HG LEU 3 HG LEU 3 0.500 1.878 28.541 19 HD11 LEU 3 HD11 LEU 3 1.068 4.476 28.254 20 HD12 LEU 3 HD12 LEU 3 1.997 3.187 27.450 21 HD13 LEU 3 HD13 LEU 3 0.743 4.074 26.550 22 HD21 LEU 3 HD21 LEU 3 -1.994 3.436 28.315 23 HD22 LEU 3 HD22 LEU 3 -1.292 2.570 29.703 24 HD23 LEU 3 HD23 LEU 3 -0.710 4.199 29.283 25 H ILE 4 H ILE 4 -2.319 1.267 24.754 26 HA ILE 4 HA ILE 4 -4.929 1.499 25.349 27 HB ILE 4 HB ILE 4 -4.351 2.133 23.231 28 HG12 ILE 4 HG12 ILE 4 -5.466 -0.480 22.316 29 HG13 ILE 4 HG13 ILE 4 -6.423 0.450 23.452 30 HG21 ILE 4 HG21 ILE 4 -2.410 1.337 22.470 31 HG22 ILE 4 HG22 ILE 4 -2.617 -0.223 23.303 32 HG23 ILE 4 HG23 ILE 4 -3.377 0.047 21.716 33 HD11 ILE 4 HD11 ILE 4 -7.059 1.877 21.816 34 HD12 ILE 4 HD12 ILE 4 -5.360 2.242 21.431 35 HD13 ILE 4 HD13 ILE 4 -6.175 0.869 20.645 36 H GLY 5 H GLY 5 -4.186 -1.437 23.446 37 HA2 GLY 5 HA2 GLY 5 -4.653 -3.619 23.830 38 HA3 GLY 5 HA3 GLY 5 -4.962 -3.258 25.517 39 H PHE 6 H PHE 6 -7.052 -1.578 25.664 40 HA PHE 6 HA PHE 6 -9.239 -3.170 25.095 41 HB2 PHE 6 HB2 PHE 6 -8.752 -1.050 26.666 42 HB3 PHE 6 HB3 PHE 6 -9.294 -0.118 25.285 43 HD1 PHE 6 HD2 PHE 6 -10.395 -2.981 27.412 44 HD2 PHE 6 HD1 PHE 6 -11.541 0.391 25.105 45 HE1 PHE 6 HE2 PHE 6 -12.779 -3.298 28.132 46 HE2 PHE 6 HE1 PHE 6 -13.924 0.074 25.825 47 HZ PHE 6 HZ PHE 6 -14.515 -1.767 27.330 48 H GLY 7 H GLY 7 -8.348 -0.000 23.535 49 HA2 GLY 7 HA2 GLY 7 -10.262 0.000 21.556 50 HA3 GLY 7 HA3 GLY 7 -8.687 0.762 21.447 51 H TYR 8 H TYR 8 -7.020 -1.601 21.619 52 HA TYR 8 HA TYR 8 -6.958 -2.340 18.935 53 HB2 TYR 8 HB2 TYR 8 -5.192 -2.396 20.883 54 HB3 TYR 8 HB3 TYR 8 -5.955 -3.886 21.399 55 HD1 TYR 8 HD1 TYR 8 -3.987 -2.299 18.695 56 HD2 TYR 8 HD2 TYR 8 -5.555 -5.963 20.249 57 HE1 TYR 8 HE1 TYR 8 -2.515 -3.616 17.094 58 HE2 TYR 8 HE2 TYR 8 -4.077 -7.268 18.644 59 HH TYR 8 HH TYR 8 -2.989 -6.489 16.164 60 H ALA 9 H ALA 9 -8.006 -4.251 21.848 61 HA ALA 9 HA ALA 9 -8.834 -6.465 20.323 62 HB1 ALA 9 HB1 ALA 9 -10.217 -6.747 22.613 63 HB2 ALA 9 HB2 ALA 9 -8.463 -7.038 22.518 64 HB3 ALA 9 HB3 ALA 9 -9.076 -5.487 23.141 65 H ALA 10 H ALA 10 -10.214 -3.314 20.941 66 HA ALA 10 HA ALA 10 -12.931 -4.006 20.700 67 HB1 ALA 10 HB1 ALA 10 -13.203 -1.793 21.077 68 HB2 ALA 10 HB2 ALA 10 -11.437 -1.745 21.297 69 HB3 ALA 10 HB3 ALA 10 -12.148 -1.345 19.715 70 H LEU 11 H LEU 11 -10.750 -2.354 18.298 71 HA LEU 11 HA LEU 11 -12.473 -2.685 16.155 72 HB2 LEU 11 HB2 LEU 11 -10.630 -2.060 14.786 73 HB3 LEU 11 HB3 LEU 11 -10.593 -1.115 16.262 74 HG LEU 11 HG LEU 11 -8.913 -3.034 17.034 75 HD11 LEU 11 HD11 LEU 11 -9.331 -4.177 14.749 76 HD12 LEU 11 HD12 LEU 11 -8.224 -2.940 14.108 77 HD13 LEU 11 HD13 LEU 11 -7.666 -4.065 15.369 78 HD21 LEU 11 HD21 LEU 11 -7.063 -1.561 15.913 79 HD22 LEU 11 HD22 LEU 11 -8.439 -0.527 15.458 80 HD23 LEU 11 HD23 LEU 11 -8.117 -0.878 17.173 81 H VAL 12 H VAL 12 -9.960 -4.844 17.535 82 HA VAL 12 HA VAL 12 -9.827 -6.679 15.479 83 HB VAL 12 HB VAL 12 -9.575 -6.971 18.475 84 HG11 VAL 12 HG11 VAL 12 -8.636 -9.121 18.208 85 HG12 VAL 12 HG12 VAL 12 -10.111 -9.135 17.211 86 HG13 VAL 12 HG13 VAL 12 -8.517 -8.945 16.441 87 HG21 VAL 12 HG21 VAL 12 -7.389 -6.390 18.259 88 HG22 VAL 12 HG22 VAL 12 -7.231 -7.143 16.654 89 HG23 VAL 12 HG23 VAL 12 -7.995 -5.544 16.815 90 H THR 13 H THR 13 -12.058 -6.573 18.337 91 HA THR 13 HA THR 13 -13.470 -8.895 17.625 92 HB THR 13 HB THR 13 -14.043 -6.450 19.363 93 HG1 THR 13 HG1 THR 13 -13.505 -9.312 19.746 94 HG21 THR 13 HG21 THR 13 -16.039 -8.177 18.381 95 HG22 THR 13 HG22 THR 13 -15.564 -8.916 19.929 96 HG23 THR 13 HG23 THR 13 -16.135 -7.231 19.885 97 H PHE 14 H PHE 14 -13.819 -5.465 16.672 98 HA PHE 14 HA PHE 14 -16.344 -5.699 15.530 99 HB2 PHE 14 HB2 PHE 14 -14.578 -3.707 16.033 100 HB3 PHE 14 HB3 PHE 14 -14.087 -4.004 14.377 101 HD1 PHE 14 HD1 PHE 14 -17.341 -3.679 16.199 102 HD2 PHE 14 HD2 PHE 14 -14.988 -2.542 12.856 103 HE1 PHE 14 HE1 PHE 14 -19.209 -2.215 15.383 104 HE2 PHE 14 HE2 PHE 14 -16.856 -1.077 12.039 105 HZ PHE 14 HZ PHE 14 -18.944 -0.932 13.312 106 H GLY 15 H GLY 15 -13.058 -5.870 13.976 107 HA2 GLY 15 HA2 GLY 15 -14.034 -6.509 11.408 108 HA3 GLY 15 HA3 GLY 15 -12.399 -6.724 12.002 109 H SER 16 H SER 16 -13.455 -8.418 14.346 110 HA SER 16 HA SER 16 -13.134 -10.873 13.053 111 HB2 SER 16 HB2 SER 16 -13.238 -9.866 15.750 112 HB3 SER 16 HB3 SER 16 -14.337 -11.228 15.650 113 HG SER 16 HG SER 16 -11.749 -11.399 15.979 114 H ILE 17 H ILE 17 -15.975 -9.150 14.493 115 HA ILE 17 HA ILE 17 -17.788 -11.251 13.927 116 HB ILE 17 HB ILE 17 -18.141 -8.341 14.633 117 HG12 ILE 17 HG12 ILE 17 -18.645 -10.803 16.319 118 HG13 ILE 17 HG13 ILE 17 -17.110 -9.957 16.303 119 HG21 ILE 17 HG21 ILE 17 -20.072 -10.166 13.533 120 HG22 ILE 17 HG22 ILE 17 -20.499 -9.774 15.216 121 HG23 ILE 17 HG23 ILE 17 -20.270 -8.468 14.029 122 HD11 ILE 17 HD11 ILE 17 -19.720 -8.483 16.820 123 HD12 ILE 17 HD12 ILE 17 -18.810 -9.272 18.129 124 HD13 ILE 17 HD13 ILE 17 -18.063 -7.954 17.195 125 H PHE 18 H PHE 18 -17.412 -7.946 12.450 126 HA PHE 18 HA PHE 18 -19.113 -8.194 10.390 127 HB2 PHE 18 HB2 PHE 18 -16.647 -6.750 11.101 128 HB3 PHE 18 HB3 PHE 18 -16.672 -7.040 9.374 129 HD1 PHE 18 HD1 PHE 18 -19.028 -5.883 12.038 130 HD2 PHE 18 HD2 PHE 18 -17.620 -5.407 8.063 131 HE1 PHE 18 HE1 PHE 18 -20.563 -3.922 11.729 132 HE2 PHE 18 HE2 PHE 18 -19.156 -3.445 7.754 133 HZ PHE 18 HZ PHE 18 -20.609 -2.726 9.591 134 H GLY 19 H GLY 19 -15.657 -9.310 10.400 135 HA2 GLY 19 HA2 GLY 19 -15.148 -11.430 9.405 136 HA3 GLY 19 HA3 GLY 19 -16.368 -11.130 8.184 137 H TYR 20 H TYR 20 -15.874 -8.495 7.386 138 HA TYR 20 HA TYR 20 -14.621 -7.328 5.978 139 HB2 TYR 20 HB2 TYR 20 -13.144 -7.867 8.336 140 HB3 TYR 20 HB3 TYR 20 -12.027 -8.343 7.073 141 HD1 TYR 20 HD1 TYR 20 -14.087 -5.492 8.300 142 HD2 TYR 20 HD2 TYR 20 -10.805 -6.723 5.847 143 HE1 TYR 20 HE1 TYR 20 -13.414 -3.062 7.970 144 HE2 TYR 20 HE2 TYR 20 -10.143 -4.289 5.525 145 HH TYR 20 HH TYR 20 -11.934 -1.882 5.822 146 H LYS 21 H LYS 21 -15.412 -9.849 4.995 147 HA LYS 21 HA LYS 21 -13.495 -11.540 4.081 148 HB2 LYS 21 HB2 LYS 21 -16.160 -11.339 3.777 149 HB3 LYS 21 HB3 LYS 21 -15.671 -10.807 2.181 150 HG2 LYS 21 HG2 LYS 21 -15.172 -12.932 1.568 151 HG3 LYS 21 HG3 LYS 21 -14.061 -13.103 2.912 152 HD2 LYS 21 HD2 LYS 21 -16.036 -13.614 4.418 153 HD3 LYS 21 HD3 LYS 21 -17.081 -13.557 3.011 154 HE2 LYS 21 HE2 LYS 21 -15.224 -15.304 2.066 155 HE3 LYS 21 HE3 LYS 21 -15.035 -15.623 3.779 156 HZ1 LYS 21 HZ1 LYS 21 -17.753 -15.468 2.889 157 HZ2 LYS 21 HZ2 LYS 21 -16.909 -16.715 2.258 158 HZ3 LYS 21 HZ3 LYS 21 -17.040 -16.555 3.877 159 H ARG 22 H ARG 22 -14.868 -8.925 1.967 160 HA ARG 22 HA ARG 22 -13.977 -7.705 0.425 161 HB2 ARG 22 HB2 ARG 22 -11.699 -7.951 2.372 162 HB3 ARG 22 HB3 ARG 22 -11.292 -7.326 0.786 163 HG2 ARG 22 HG2 ARG 22 -13.703 -5.999 1.562 164 HG3 ARG 22 HG3 ARG 22 -12.668 -5.989 2.976 165 HD2 ARG 22 HD2 ARG 22 -10.829 -5.311 1.059 166 HD3 ARG 22 HD3 ARG 22 -12.276 -4.646 0.327 167 HE ARG 22 HE ARG 22 -12.426 -3.784 2.966 168 HH11 ARG 22 HH22 ARG 22 -10.010 -3.525 0.420 169 HH12 ARG 22 HH21 ARG 22 -9.377 -2.020 0.999 170 HH21 ARG 22 HH12 ARG 22 -11.592 -1.799 3.729 171 HH22 ARG 22 HH11 ARG 22 -10.283 -1.031 2.893 172 H ARG 23 H ARG 23 -14.172 -10.538 -0.071 173 HA ARG 23 HA ARG 23 -11.822 -11.584 -1.095 174 HB2 ARG 23 HB2 ARG 23 -14.356 -12.545 -0.630 175 HB3 ARG 23 HB3 ARG 23 -14.405 -12.407 -2.376 176 HG2 ARG 23 HG2 ARG 23 -11.944 -13.582 -2.063 177 HG3 ARG 23 HG3 ARG 23 -12.770 -14.231 -0.660 178 HD2 ARG 23 HD2 ARG 23 -13.965 -14.330 -3.469 179 HD3 ARG 23 HD3 ARG 23 -12.971 -15.618 -2.816 180 HE ARG 23 HE ARG 23 -15.227 -14.817 -1.096 181 HH11 ARG 23 HH22 ARG 23 -14.097 -16.990 -3.622 182 HH12 ARG 23 HH21 ARG 23 -15.315 -18.183 -3.318 183 HH21 ARG 23 HH12 ARG 23 -16.835 -16.391 -0.694 184 HH22 ARG 23 HH11 ARG 23 -16.883 -17.840 -1.641 185 H GLY 24 H GLY 24 -13.059 -12.456 -3.754 186 HA2 GLY 24 HA2 GLY 24 -13.160 -11.791 -5.903 187 HA3 GLY 24 HA3 GLY 24 -13.512 -10.164 -5.356 188 H GLY 25 H GLY 25 -11.833 -10.735 -7.606 189 HA2 GLY 25 HA2 GLY 25 -9.973 -9.445 -8.245 190 HA3 GLY 25 HA3 GLY 25 -9.318 -9.570 -6.624 191 H VAL 26 H VAL 26 -10.046 -11.452 -9.611 192 HA VAL 26 HA VAL 26 -8.569 -13.726 -8.744 193 HB VAL 26 HB VAL 26 -10.176 -12.869 -11.027 194 HG11 VAL 26 HG11 VAL 26 -9.158 -14.420 -12.658 195 HG12 VAL 26 HG12 VAL 26 -8.066 -13.078 -12.239 196 HG13 VAL 26 HG13 VAL 26 -7.801 -14.693 -11.539 197 HG21 VAL 26 HG21 VAL 26 -9.599 -15.447 -9.562 198 HG22 VAL 26 HG22 VAL 26 -11.107 -14.503 -9.622 199 HG23 VAL 26 HG23 VAL 26 -10.573 -15.418 -11.052 200 HA PRO 27 HA PRO 27 -5.304 -11.763 -11.545 201 HB2 PRO 27 HB2 PRO 27 -5.643 -9.218 -12.482 202 HB3 PRO 27 HB3 PRO 27 -6.055 -10.645 -13.413 203 HG2 PRO 27 HG2 PRO 27 -7.855 -8.756 -12.023 204 HG3 PRO 27 HG3 PRO 27 -8.238 -9.912 -13.284 205 HD2 PRO 27 HD2 PRO 27 -8.793 -10.180 -10.482 206 HD3 PRO 27 HD3 PRO 27 -9.071 -11.383 -11.726 207 H SER 28 H SER 28 -3.469 -10.104 -11.360 208 HA SER 28 HA SER 28 -3.615 -9.231 -8.588 209 HB2 SER 28 HB2 SER 28 -1.639 -10.686 -10.067 210 HB3 SER 28 HB3 SER 28 -0.932 -9.131 -9.676 211 HG SER 28 HG SER 28 -1.722 -9.561 -7.404 212 H LEU 29 H LEU 29 -3.137 -8.255 -11.957 213 HA LEU 29 HA LEU 29 -1.846 -5.850 -11.646 214 HB2 LEU 29 HB2 LEU 29 -3.144 -5.218 -13.738 215 HB3 LEU 29 HB3 LEU 29 -2.090 -6.617 -13.806 216 HG LEU 29 HG LEU 29 -4.833 -7.326 -13.069 217 HD11 LEU 29 HD11 LEU 29 -5.955 -6.009 -14.467 218 HD12 LEU 29 HD12 LEU 29 -4.462 -5.411 -15.230 219 HD13 LEU 29 HD13 LEU 29 -5.202 -6.928 -15.792 220 HD21 LEU 29 HD21 LEU 29 -3.639 -8.348 -15.566 221 HD22 LEU 29 HD22 LEU 29 -2.669 -8.612 -14.097 222 HD23 LEU 29 HD23 LEU 29 -4.341 -9.216 -14.179 223 H ILE 30 H ILE 30 -5.350 -6.645 -11.301 224 HA ILE 30 HA ILE 30 -6.108 -3.964 -10.829 225 HB ILE 30 HB ILE 30 -8.232 -4.937 -10.137 226 HG12 ILE 30 HG12 ILE 30 -8.331 -7.548 -10.473 227 HG13 ILE 30 HG13 ILE 30 -6.631 -7.475 -10.054 228 HG21 ILE 30 HG21 ILE 30 -8.866 -5.795 -12.240 229 HG22 ILE 30 HG22 ILE 30 -7.525 -4.670 -12.562 230 HG23 ILE 30 HG23 ILE 30 -7.234 -6.426 -12.568 231 HD11 ILE 30 HD11 ILE 30 -7.984 -5.781 -8.191 232 HD12 ILE 30 HD12 ILE 30 -8.928 -7.285 -8.306 233 HD13 ILE 30 HD13 ILE 30 -7.203 -7.348 -7.870 234 H ALA 31 H ALA 31 -4.580 -6.457 -8.907 235 HA ALA 31 HA ALA 31 -5.448 -5.560 -6.377 236 HB1 ALA 31 HB1 ALA 31 -4.102 -7.733 -7.357 237 HB2 ALA 31 HB2 ALA 31 -2.771 -6.818 -6.609 238 HB3 ALA 31 HB3 ALA 31 -4.180 -7.296 -5.633 239 H GLY 32 H GLY 32 -2.270 -5.138 -8.106 240 HA2 GLY 32 HA2 GLY 32 -1.191 -3.291 -6.327 241 HA3 GLY 32 HA3 GLY 32 -0.746 -3.491 -8.010 242 H LEU 33 H LEU 33 -3.195 -2.815 -9.311 243 HA LEU 33 HA LEU 33 -2.979 -0.058 -9.422 244 HB2 LEU 33 HB2 LEU 33 -3.814 -1.144 -11.296 245 HB3 LEU 33 HB3 LEU 33 -4.992 -2.061 -10.378 246 HG LEU 33 HG LEU 33 -5.574 0.738 -10.083 247 HD11 LEU 33 HD11 LEU 33 -5.027 -0.188 -12.901 248 HD12 LEU 33 HD12 LEU 33 -6.206 1.096 -12.542 249 HD13 LEU 33 HD13 LEU 33 -4.499 1.303 -12.085 250 HD21 LEU 33 HD21 LEU 33 -7.679 -0.002 -10.276 251 HD22 LEU 33 HD22 LEU 33 -7.342 -0.882 -11.786 252 HD23 LEU 33 HD23 LEU 33 -6.946 -1.623 -10.216 253 H PHE 34 H PHE 34 -5.289 -2.172 -7.623 254 HA PHE 34 HA PHE 34 -6.893 -0.120 -6.659 255 HB2 PHE 34 HB2 PHE 34 -7.195 -2.692 -6.629 256 HB3 PHE 34 HB3 PHE 34 -6.033 -2.753 -5.318 257 HD1 PHE 34 HD1 PHE 34 -9.253 -1.091 -6.213 258 HD2 PHE 34 HD2 PHE 34 -6.812 -2.707 -3.142 259 HE1 PHE 34 HE1 PHE 34 -11.104 -0.736 -4.556 260 HE2 PHE 34 HE2 PHE 34 -8.663 -2.352 -1.484 261 HZ PHE 34 HZ PHE 34 -10.786 -1.370 -2.210 262 H VAL 35 H VAL 35 -3.910 -1.654 -5.302 263 HA VAL 35 HA VAL 35 -3.980 -0.221 -2.886 264 HB VAL 35 HB VAL 35 -1.687 -1.498 -4.390 265 HG11 VAL 35 HG11 VAL 35 -0.372 -1.359 -2.471 266 HG12 VAL 35 HG12 VAL 35 -1.190 0.222 -2.501 267 HG13 VAL 35 HG13 VAL 35 -1.770 -1.059 -1.410 268 HG21 VAL 35 HG21 VAL 35 -2.349 -3.118 -2.240 269 HG22 VAL 35 HG22 VAL 35 -3.932 -2.584 -2.856 270 HG23 VAL 35 HG23 VAL 35 -2.783 -3.402 -3.942 271 H GLY 36 H GLY 36 -2.729 0.478 -6.158 272 HA2 GLY 36 HA2 GLY 36 -1.154 2.722 -5.428 273 HA3 GLY 36 HA3 GLY 36 -1.735 2.303 -7.028 274 H CYS 37 H CYS 37 -4.582 2.261 -6.480 275 HA CYS 37 HA CYS 37 -5.118 4.988 -6.790 276 HB2 CYS 37 HB2 CYS 37 -6.449 2.887 -7.591 277 HB3 CYS 37 HB3 CYS 37 -7.229 2.978 -6.024 278 HG CYS 37 HG CYS 37 -8.899 4.440 -6.872 279 H LEU 38 H LEU 38 -5.936 2.637 -4.126 280 HA LEU 38 HA LEU 38 -6.901 4.591 -2.379 281 HB2 LEU 38 HB2 LEU 38 -6.816 2.869 -0.709 282 HB3 LEU 38 HB3 LEU 38 -7.440 2.229 -2.216 283 HG LEU 38 HG LEU 38 -4.882 1.527 -2.551 284 HD11 LEU 38 HD11 LEU 38 -4.692 2.619 -0.048 285 HD12 LEU 38 HD12 LEU 38 -4.911 0.891 0.318 286 HD13 LEU 38 HD13 LEU 38 -3.576 1.414 -0.736 287 HD21 LEU 38 HD21 LEU 38 -5.541 -0.661 -1.311 288 HD22 LEU 38 HD22 LEU 38 -7.119 0.137 -1.105 289 HD23 LEU 38 HD23 LEU 38 -6.471 -0.145 -2.738 290 H ALA 39 H ALA 39 -3.658 3.648 -3.330 291 HA ALA 39 HA ALA 39 -2.317 4.504 -1.008 292 HB1 ALA 39 HB1 ALA 39 -0.986 3.176 -2.340 293 HB2 ALA 39 HB2 ALA 39 -1.641 3.847 -3.853 294 HB3 ALA 39 HB3 ALA 39 -0.447 4.773 -2.912 295 H GLY 40 H GLY 40 -2.970 6.118 -4.199 296 HA2 GLY 40 HA2 GLY 40 -1.854 8.604 -3.409 297 HA3 GLY 40 HA3 GLY 40 -2.878 8.289 -4.795 298 H TYR 41 H TYR 41 -5.314 7.659 -4.048 299 HA TYR 41 HA TYR 41 -6.452 9.962 -3.076 300 HB2 TYR 41 HB2 TYR 41 -7.349 7.782 -4.301 301 HB3 TYR 41 HB3 TYR 41 -7.507 7.102 -2.693 302 HD1 TYR 41 HD2 TYR 41 -8.710 9.814 -4.927 303 HD2 TYR 41 HD1 TYR 41 -9.349 7.669 -1.281 304 HE1 TYR 41 HE2 TYR 41 -11.005 10.881 -4.693 305 HE2 TYR 41 HE1 TYR 41 -11.642 8.743 -1.059 306 HH TYR 41 HH TYR 41 -13.318 9.871 -3.223 307 H GLY 42 H GLY 42 -5.753 6.872 -1.302 308 HA2 GLY 42 HA2 GLY 42 -6.817 7.678 1.162 309 HA3 GLY 42 HA3 GLY 42 -5.622 6.424 0.895 310 H ALA 43 H ALA 43 -3.382 7.680 -0.049 311 HA ALA 43 HA ALA 43 -2.124 8.640 2.137 312 HB1 ALA 43 HB1 ALA 43 -0.875 8.018 0.204 313 HB2 ALA 43 HB2 ALA 43 -1.719 9.205 -0.818 314 HB3 ALA 43 HB3 ALA 43 -0.575 9.758 0.428 315 H TYR 44 H TYR 44 -3.663 10.662 -0.466 316 HA TYR 44 HA TYR 44 -4.355 12.770 -0.467 317 HB2 TYR 44 HB2 TYR 44 -5.644 11.459 1.513 318 HB3 TYR 44 HB3 TYR 44 -4.698 12.498 2.561 319 HD1 TYR 44 HD2 TYR 44 -6.679 12.971 -0.604 320 HD2 TYR 44 HD1 TYR 44 -5.876 14.311 3.379 321 HE1 TYR 44 HE2 TYR 44 -8.405 14.819 -0.870 322 HE2 TYR 44 HE1 TYR 44 -7.604 16.154 3.100 323 HH TYR 44 HH TYR 44 -9.741 16.405 1.605 324 H ARG 45 H ARG 45 -1.462 12.065 0.464 325 HA ARG 45 HA ARG 45 -0.971 14.693 1.618 326 HB2 ARG 45 HB2 ARG 45 -0.159 12.060 2.545 327 HB3 ARG 45 HB3 ARG 45 1.277 12.965 2.112 328 HG2 ARG 45 HG2 ARG 45 -0.592 14.676 3.572 329 HG3 ARG 45 HG3 ARG 45 -0.264 13.220 4.488 330 HD2 ARG 45 HD2 ARG 45 2.280 13.877 3.610 331 HD3 ARG 45 HD3 ARG 45 1.565 15.467 3.790 332 HE ARG 45 HE ARG 45 2.167 13.564 5.942 333 HH11 ARG 45 HH22 ARG 45 0.286 16.392 5.019 334 HH12 ARG 45 HH21 ARG 45 0.056 16.930 6.649 335 HH21 ARG 45 HH12 ARG 45 1.864 14.274 8.093 336 HH22 ARG 45 HH11 ARG 45 0.960 15.717 8.410 337 H VAL 46 H VAL 46 -0.892 13.004 -1.190 338 HA VAL 46 HA VAL 46 1.752 13.230 -2.083 339 HB VAL 46 HB VAL 46 -0.886 13.183 -3.561 340 HG11 VAL 46 HG11 VAL 46 0.758 12.175 -5.376 341 HG12 VAL 46 HG12 VAL 46 0.507 13.931 -5.232 342 HG13 VAL 46 HG13 VAL 46 1.954 13.178 -4.520 343 HG21 VAL 46 HG21 VAL 46 0.403 11.202 -2.032 344 HG22 VAL 46 HG22 VAL 46 -0.955 10.988 -3.162 345 HG23 VAL 46 HG23 VAL 46 0.718 10.778 -3.732 346 H SER 47 H SER 47 -0.586 15.615 -1.285 347 HA SER 47 HA SER 47 0.479 17.498 -3.191 348 HB2 SER 47 HB2 SER 47 -2.034 17.161 -2.084 349 HB3 SER 47 HB3 SER 47 -1.401 18.469 -1.105 350 HG SER 47 HG SER 47 -1.540 19.820 -2.770 351 H ASN 48 H ASN 48 1.780 16.203 -0.573 352 HA ASN 48 HA ASN 48 2.372 18.676 0.803 353 HB2 ASN 48 HB2 ASN 48 1.783 16.495 2.040 354 HB3 ASN 48 HB3 ASN 48 3.305 15.837 1.474 355 HD21 ASN 48 HD21 ASN 48 5.016 16.088 2.692 356 HD22 ASN 48 HD22 ASN 48 5.237 17.243 3.964 357 H ASP 49 H ASP 49 4.205 15.692 -0.243 358 HA ASP 49 HA ASP 49 6.552 17.306 -0.574 359 HB2 ASP 49 HB2 ASP 49 6.034 14.624 0.114 360 HB3 ASP 49 HB3 ASP 49 6.700 14.510 -1.502 361 H LYS 50 H LYS 50 3.829 16.730 -2.385 362 HA LYS 50 HA LYS 50 3.323 16.985 -4.521 363 HB2 LYS 50 HB2 LYS 50 5.080 18.778 -4.436 364 HB3 LYS 50 HB3 LYS 50 6.244 17.611 -5.032 365 HG2 LYS 50 HG2 LYS 50 5.404 17.662 -7.167 366 HG3 LYS 50 HG3 LYS 50 3.739 17.690 -6.622 367 HD2 LYS 50 HD2 LYS 50 3.685 20.030 -6.429 368 HD3 LYS 50 HD3 LYS 50 5.413 20.159 -6.165 369 HE2 LYS 50 HE2 LYS 50 5.675 19.316 -8.621 370 HE3 LYS 50 HE3 LYS 50 3.963 19.650 -8.794 371 HZ1 LYS 50 HZ1 LYS 50 5.749 21.691 -7.714 372 HZ2 LYS 50 HZ2 LYS 50 5.626 21.475 -9.328 373 HZ3 LYS 50 HZ3 LYS 50 4.307 21.883 -8.456 374 H ARG 51 H ARG 51 4.108 14.415 -3.280 375 HA ARG 51 HA ARG 51 5.689 12.903 -4.891 376 HB2 ARG 51 HB2 ARG 51 3.137 11.776 -3.685 377 HB3 ARG 51 HB3 ARG 51 4.706 11.006 -3.813 378 HG2 ARG 51 HG2 ARG 51 5.253 13.306 -2.303 379 HG3 ARG 51 HG3 ARG 51 3.673 12.818 -1.721 380 HD2 ARG 51 HD2 ARG 51 6.092 10.957 -1.917 381 HD3 ARG 51 HD3 ARG 51 5.570 11.752 -0.446 382 HE ARG 51 HE ARG 51 3.463 10.187 -1.774 383 HH11 ARG 51 HH22 ARG 51 6.069 10.146 0.591 384 HH12 ARG 51 HH21 ARG 51 5.447 8.771 1.441 385 HH21 ARG 51 HH12 ARG 51 2.642 8.374 -0.652 386 HH22 ARG 51 HH11 ARG 51 3.485 7.756 0.730 387 H ASP 52 H ASP 52 4.467 10.774 -6.055 388 HA ASP 52 HA ASP 52 2.156 11.403 -7.486 389 HB2 ASP 52 HB2 ASP 52 4.483 12.575 -8.558 390 HB3 ASP 52 HB3 ASP 52 4.283 11.119 -9.512 391 H VAL 53 H VAL 53 5.340 9.847 -8.369 392 HA VAL 53 HA VAL 53 3.915 7.286 -8.527 393 HB VAL 53 HB VAL 53 6.544 8.073 -9.793 394 HG11 VAL 53 HG11 VAL 53 6.415 5.713 -9.643 395 HG12 VAL 53 HG12 VAL 53 4.692 5.696 -10.091 396 HG13 VAL 53 HG13 VAL 53 5.924 6.112 -11.307 397 HG21 VAL 53 HG21 VAL 53 3.731 8.520 -10.677 398 HG22 VAL 53 HG22 VAL 53 5.203 9.464 -11.006 399 HG23 VAL 53 HG23 VAL 53 4.893 7.958 -11.902 400 H LYS 54 H LYS 54 6.022 9.169 -6.613 401 HA LYS 54 HA LYS 54 7.898 7.313 -5.772 402 HB2 LYS 54 HB2 LYS 54 7.452 9.917 -5.283 403 HB3 LYS 54 HB3 LYS 54 6.792 9.258 -3.800 404 HG2 LYS 54 HG2 LYS 54 8.853 8.705 -2.998 405 HG3 LYS 54 HG3 LYS 54 9.334 7.959 -4.509 406 HD2 LYS 54 HD2 LYS 54 9.750 10.267 -5.466 407 HD3 LYS 54 HD3 LYS 54 9.374 10.952 -3.897 408 HE2 LYS 54 HE2 LYS 54 11.225 9.243 -3.026 409 HE3 LYS 54 HE3 LYS 54 11.747 9.251 -4.699 410 HZ1 LYS 54 HZ1 LYS 54 12.894 10.963 -3.662 411 HZ2 LYS 54 HZ2 LYS 54 11.714 11.738 -4.484 412 HZ3 LYS 54 HZ3 LYS 54 11.583 11.530 -2.869 413 H VAL 55 H VAL 55 4.593 8.045 -4.471 414 HA VAL 55 HA VAL 55 4.716 6.102 -2.454 415 HB VAL 55 HB VAL 55 3.190 8.016 -2.488 416 HG11 VAL 55 HG11 VAL 55 1.447 8.316 -3.991 417 HG12 VAL 55 HG12 VAL 55 2.727 7.661 -5.041 418 HG13 VAL 55 HG13 VAL 55 1.418 6.601 -4.465 419 HG21 VAL 55 HG21 VAL 55 1.435 5.569 -2.504 420 HG22 VAL 55 HG22 VAL 55 2.735 5.736 -1.300 421 HG23 VAL 55 HG23 VAL 55 1.440 6.954 -1.386 422 H SER 56 H SER 56 4.012 5.988 -5.929 423 HA SER 56 HA SER 56 2.613 3.620 -5.977 424 HB2 SER 56 HB2 SER 56 3.450 5.438 -7.845 425 HB3 SER 56 HB3 SER 56 4.545 4.117 -8.202 426 HG SER 56 HG SER 56 1.827 3.402 -7.832 427 H LEU 57 H LEU 57 6.163 4.175 -6.597 428 HA LEU 57 HA LEU 57 6.825 1.473 -6.693 429 HB2 LEU 57 HB2 LEU 57 8.084 3.847 -7.154 430 HB3 LEU 57 HB3 LEU 57 8.868 3.333 -5.673 431 HG LEU 57 HG LEU 57 8.630 1.365 -7.920 432 HD11 LEU 57 HD11 LEU 57 10.862 3.400 -7.845 433 HD12 LEU 57 HD12 LEU 57 10.501 2.191 -9.100 434 HD13 LEU 57 HD13 LEU 57 9.417 3.584 -8.868 435 HD21 LEU 57 HD21 LEU 57 9.959 0.168 -6.610 436 HD22 LEU 57 HD22 LEU 57 11.184 1.459 -6.627 437 HD23 LEU 57 HD23 LEU 57 9.904 1.463 -5.390 438 H PHE 58 H PHE 58 7.339 3.834 -3.971 439 HA PHE 58 HA PHE 58 8.228 2.104 -2.099 440 HB2 PHE 58 HB2 PHE 58 7.263 4.740 -2.293 441 HB3 PHE 58 HB3 PHE 58 6.099 4.015 -1.203 442 HD1 PHE 58 HD1 PHE 58 9.715 4.659 -1.674 443 HD2 PHE 58 HD2 PHE 58 6.639 3.624 1.060 444 HE1 PHE 58 HE1 PHE 58 11.308 4.976 0.239 445 HE2 PHE 58 HE2 PHE 58 8.232 3.941 2.973 446 HZ PHE 58 HZ PHE 58 10.548 4.613 2.540 447 H THR 59 H THR 59 4.887 2.486 -3.302 448 HA THR 59 HA THR 59 3.684 0.997 -1.198 449 HB THR 59 HB THR 59 2.887 1.996 -3.962 450 HG1 THR 59 HG1 THR 59 1.745 3.406 -2.568 451 HG21 THR 59 HG21 THR 59 1.455 0.043 -2.147 452 HG22 THR 59 HG22 THR 59 0.502 1.330 -2.924 453 HG23 THR 59 HG23 THR 59 1.407 0.167 -3.922 454 H ALA 60 H ALA 60 4.532 0.160 -4.626 455 HA ALA 60 HA ALA 60 3.746 -2.473 -4.507 456 HB1 ALA 60 HB1 ALA 60 6.206 -2.013 -6.048 457 HB2 ALA 60 HB2 ALA 60 4.581 -2.477 -6.606 458 HB3 ALA 60 HB3 ALA 60 4.970 -0.763 -6.326 459 H PHE 61 H PHE 61 6.874 -0.941 -3.549 460 HA PHE 61 HA PHE 61 8.185 -3.337 -2.965 461 HB2 PHE 61 HB2 PHE 61 8.660 -0.559 -3.000 462 HB3 PHE 61 HB3 PHE 61 8.754 -0.921 -1.288 463 HD1 PHE 61 HD2 PHE 61 10.131 -1.968 -4.579 464 HD2 PHE 61 HD1 PHE 61 10.716 -1.801 -0.380 465 HE1 PHE 61 HE2 PHE 61 12.492 -2.766 -4.877 466 HE2 PHE 61 HE1 PHE 61 13.077 -2.599 -0.677 467 HZ PHE 61 HZ PHE 61 13.937 -3.071 -2.922 468 H PHE 62 H PHE 62 6.082 -1.166 -1.007 469 HA PHE 62 HA PHE 62 6.610 -2.383 1.454 470 HB2 PHE 62 HB2 PHE 62 4.923 -0.362 0.225 471 HB3 PHE 62 HB3 PHE 62 3.869 -1.399 1.166 472 HD1 PHE 62 HD1 PHE 62 6.615 1.010 1.313 473 HD2 PHE 62 HD2 PHE 62 4.050 -1.490 3.588 474 HE1 PHE 62 HE1 PHE 62 7.268 2.240 3.402 475 HE2 PHE 62 HE2 PHE 62 4.703 -0.261 5.677 476 HZ PHE 62 HZ PHE 62 6.305 1.590 5.559 477 H LEU 63 H LEU 63 3.808 -2.787 -0.834 478 HA LEU 63 HA LEU 63 2.526 -4.764 0.599 479 HB2 LEU 63 HB2 LEU 63 2.279 -3.459 -1.892 480 HB3 LEU 63 HB3 LEU 63 2.243 -5.178 -2.231 481 HG LEU 63 HG LEU 63 0.001 -4.185 -1.904 482 HD11 LEU 63 HD11 LEU 63 0.742 -6.621 -1.282 483 HD12 LEU 63 HD12 LEU 63 0.393 -6.086 0.380 484 HD13 LEU 63 HD13 LEU 63 -0.884 -6.033 -0.860 485 HD21 LEU 63 HD21 LEU 63 -0.523 -2.848 -0.210 486 HD22 LEU 63 HD22 LEU 63 0.048 -4.035 0.987 487 HD23 LEU 63 HD23 LEU 63 1.193 -2.879 0.264 488 H ALA 64 H ALA 64 5.311 -4.928 -1.640 489 HA ALA 64 HA ALA 64 5.312 -7.715 -1.940 490 HB1 ALA 64 HB1 ALA 64 6.595 -5.727 -3.151 491 HB2 ALA 64 HB2 ALA 64 7.849 -6.103 -1.946 492 HB3 ALA 64 HB3 ALA 64 7.298 -7.360 -3.079 493 H THR 65 H THR 65 7.385 -5.591 0.171 494 HA THR 65 HA THR 65 8.445 -7.750 1.625 495 HB THR 65 HB THR 65 9.287 -5.302 1.320 496 HG1 THR 65 HG1 THR 65 10.482 -5.864 3.125 497 HG21 THR 65 HG21 THR 65 8.640 -3.791 3.195 498 HG22 THR 65 HG22 THR 65 7.229 -4.141 2.167 499 HG23 THR 65 HG23 THR 65 7.421 -4.972 3.729 500 H ILE 66 H ILE 66 5.280 -6.466 1.579 501 HA ILE 66 HA ILE 66 4.762 -7.020 4.361 502 HB ILE 66 HB ILE 66 3.226 -5.939 2.040 503 HG12 ILE 66 HG12 ILE 66 3.452 -4.933 4.884 504 HG13 ILE 66 HG13 ILE 66 4.633 -4.551 3.648 505 HG21 ILE 66 HG21 ILE 66 1.422 -7.131 2.662 506 HG22 ILE 66 HG22 ILE 66 2.088 -7.511 4.269 507 HG23 ILE 66 HG23 ILE 66 1.323 -5.931 3.972 508 HD11 ILE 66 HD11 ILE 66 3.105 -3.291 2.371 509 HD12 ILE 66 HD12 ILE 66 1.692 -4.107 3.081 510 HD13 ILE 66 HD13 ILE 66 2.606 -2.917 4.039 511 H MET 67 H MET 67 3.153 -8.204 1.327 512 HA MET 67 HA MET 67 2.464 -10.605 2.684 513 HB2 MET 67 HB2 MET 67 1.917 -9.259 0.063 514 HB3 MET 67 HB3 MET 67 1.879 -11.010 -0.007 515 HG2 MET 67 HG2 MET 67 0.363 -10.806 2.161 516 HG3 MET 67 HG3 MET 67 0.136 -9.149 1.639 517 HE1 MET 67 HE1 MET 67 -2.218 -9.103 -1.002 518 HE2 MET 67 HE2 MET 67 -2.712 -9.372 0.687 519 HE3 MET 67 HE3 MET 67 -1.286 -8.370 0.325 520 H GLY 68 H GLY 68 4.594 -9.707 -0.114 521 HA2 GLY 68 HA2 GLY 68 6.798 -10.805 -0.068 522 HA3 GLY 68 HA3 GLY 68 5.956 -12.311 0.237 523 H VAL 69 H VAL 69 4.873 -9.683 -1.979 524 HA VAL 69 HA VAL 69 4.247 -11.419 -4.043 525 HB VAL 69 HB VAL 69 4.850 -8.465 -3.940 526 HG11 VAL 69 HG11 VAL 69 3.288 -8.986 -6.221 527 HG12 VAL 69 HG12 VAL 69 4.976 -8.424 -6.168 528 HG13 VAL 69 HG13 VAL 69 4.620 -10.165 -6.275 529 HG21 VAL 69 HG21 VAL 69 2.208 -8.728 -4.548 530 HG22 VAL 69 HG22 VAL 69 2.467 -10.176 -3.546 531 HG23 VAL 69 HG23 VAL 69 2.847 -8.563 -2.895 532 H ARG 70 H ARG 70 7.020 -9.062 -3.980 533 HA ARG 70 HA ARG 70 8.287 -9.934 -6.155 534 HB2 ARG 70 HB2 ARG 70 8.891 -8.239 -4.017 535 HB3 ARG 70 HB3 ARG 70 10.163 -9.439 -3.903 536 HG2 ARG 70 HG2 ARG 70 10.091 -8.945 -6.640 537 HG3 ARG 70 HG3 ARG 70 9.702 -7.368 -5.982 538 HD2 ARG 70 HD2 ARG 70 11.740 -7.387 -4.593 539 HD3 ARG 70 HD3 ARG 70 12.098 -9.034 -5.072 540 HE ARG 70 HE ARG 70 11.911 -7.657 -7.489 541 HH11 ARG 70 HH22 ARG 70 13.823 -7.286 -4.557 542 HH12 ARG 70 HH21 ARG 70 15.170 -6.568 -5.374 543 HH21 ARG 70 HH12 ARG 70 13.689 -6.710 -8.567 544 HH22 ARG 70 HH11 ARG 70 15.094 -6.238 -7.671 545 H PHE 71 H PHE 71 8.834 -12.008 -6.762 546 HA PHE 71 HA PHE 71 10.385 -13.585 -4.890 547 HB2 PHE 71 HB2 PHE 71 7.611 -13.927 -5.164 548 HB3 PHE 71 HB3 PHE 71 8.219 -15.047 -6.367 549 HD1 PHE 71 HD1 PHE 71 8.332 -14.199 -2.769 550 HD2 PHE 71 HD2 PHE 71 9.171 -17.120 -5.732 551 HE1 PHE 71 HE1 PHE 71 8.748 -15.902 -0.973 552 HE2 PHE 71 HE2 PHE 71 9.586 -18.823 -3.935 553 HZ PHE 71 HZ PHE 71 9.370 -18.193 -1.577 554 H LYS 72 H LYS 72 8.722 -13.518 -8.120 555 HA LYS 72 HA LYS 72 11.052 -13.631 -9.588 556 HB2 LYS 72 HB2 LYS 72 10.540 -16.135 -8.373 557 HB3 LYS 72 HB3 LYS 72 10.108 -16.318 -10.061 558 HG2 LYS 72 HG2 LYS 72 12.453 -14.899 -10.308 559 HG3 LYS 72 HG3 LYS 72 12.779 -15.787 -8.833 560 HD2 LYS 72 HD2 LYS 72 12.003 -17.907 -10.091 561 HD3 LYS 72 HD3 LYS 72 12.035 -16.943 -11.554 562 HE2 LYS 72 HE2 LYS 72 14.511 -16.335 -10.525 563 HE3 LYS 72 HE3 LYS 72 14.310 -17.960 -9.900 564 HZ1 LYS 72 HZ1 LYS 72 13.719 -17.416 -12.702 565 HZ2 LYS 72 HZ2 LYS 72 15.269 -17.620 -12.227 566 HZ3 LYS 72 HZ3 LYS 72 14.181 -18.818 -12.003 567 H ARG 73 H ARG 73 10.423 -14.654 -11.947 568 HA ARG 73 HA ARG 73 7.669 -13.828 -12.390 569 HB2 ARG 73 HB2 ARG 73 10.173 -13.103 -13.977 570 HB3 ARG 73 HB3 ARG 73 8.573 -12.964 -14.679 571 HG2 ARG 73 HG2 ARG 73 7.888 -11.449 -12.800 572 HG3 ARG 73 HG3 ARG 73 9.497 -11.577 -12.117 573 HD2 ARG 73 HD2 ARG 73 10.474 -10.575 -14.178 574 HD3 ARG 73 HD3 ARG 73 8.884 -10.493 -14.910 575 HE ARG 73 HE ARG 73 9.963 -8.677 -12.904 576 HH11 ARG 73 HH22 ARG 73 6.982 -10.054 -14.170 577 HH12 ARG 73 HH21 ARG 73 5.995 -8.735 -13.635 578 HH21 ARG 73 HH12 ARG 73 8.661 -6.937 -12.197 579 HH22 ARG 73 HH11 ARG 73 6.957 -6.950 -12.505 580 H SER 74 H SER 74 6.465 -15.344 -13.519 581 HA SER 74 HA SER 74 7.408 -16.800 -15.637 582 HB2 SER 74 HB2 SER 74 7.891 -18.067 -12.972 583 HB3 SER 74 HB3 SER 74 7.183 -19.110 -14.189 584 HG SER 74 HG SER 74 8.979 -18.948 -15.464 585 H LYS 75 H LYS 75 5.419 -17.311 -12.628 586 HA LYS 75 HA LYS 75 3.257 -18.385 -14.174 587 HB2 LYS 75 HB2 LYS 75 3.933 -18.034 -11.307 588 HB3 LYS 75 HB3 LYS 75 2.225 -17.989 -11.693 589 HG2 LYS 75 HG2 LYS 75 2.222 -20.187 -12.573 590 HG3 LYS 75 HG3 LYS 75 3.944 -20.171 -12.898 591 HD2 LYS 75 HD2 LYS 75 4.503 -20.447 -10.579 592 HD3 LYS 75 HD3 LYS 75 2.893 -20.004 -10.049 593 HE2 LYS 75 HE2 LYS 75 1.957 -22.078 -11.027 594 HE3 LYS 75 HE3 LYS 75 3.523 -22.506 -11.687 595 HZ1 LYS 75 HZ1 LYS 75 2.812 -22.301 -8.847 596 HZ2 LYS 75 HZ2 LYS 75 3.242 -23.647 -9.667 597 HZ3 LYS 75 HZ3 LYS 75 4.348 -22.483 -9.371 598 H LYS 76 H LYS 76 3.986 -15.331 -12.383 599 HA LYS 76 HA LYS 76 3.124 -13.306 -12.540 600 HB2 LYS 76 HB2 LYS 76 2.381 -14.379 -15.254 601 HB3 LYS 76 HB3 LYS 76 1.851 -12.785 -14.758 602 HG2 LYS 76 HG2 LYS 76 4.179 -12.089 -14.330 603 HG3 LYS 76 HG3 LYS 76 4.761 -13.709 -14.661 604 HD2 LYS 76 HD2 LYS 76 3.624 -13.427 -17.004 605 HD3 LYS 76 HD3 LYS 76 3.553 -11.719 -16.618 606 HE2 LYS 76 HE2 LYS 76 6.205 -12.541 -15.965 607 HE3 LYS 76 HE3 LYS 76 5.840 -13.306 -17.498 608 HZ1 LYS 76 HZ1 LYS 76 6.482 -11.292 -18.217 609 HZ2 LYS 76 HZ2 LYS 76 4.909 -10.920 -17.982 610 HZ3 LYS 76 HZ3 LYS 76 6.024 -10.496 -16.867 611 H ILE 77 H ILE 77 1.815 -15.006 -10.854 612 HA ILE 77 HA ILE 77 -1.021 -14.523 -11.436 613 HB ILE 77 HB ILE 77 0.414 -16.629 -9.846 614 HG12 ILE 77 HG12 ILE 77 -1.845 -17.109 -11.753 615 HG13 ILE 77 HG13 ILE 77 -0.274 -16.692 -12.408 616 HG21 ILE 77 HG21 ILE 77 -1.323 -15.798 -8.371 617 HG22 ILE 77 HG22 ILE 77 -2.529 -15.924 -9.675 618 HG23 ILE 77 HG23 ILE 77 -1.776 -17.395 -9.014 619 HD11 ILE 77 HD11 ILE 77 -1.167 -19.209 -11.226 620 HD12 ILE 77 HD12 ILE 77 0.310 -18.867 -12.158 621 HD13 ILE 77 HD13 ILE 77 0.286 -18.601 -10.398 622 H MET 78 H MET 78 1.077 -14.884 -8.488 623 HA MET 78 HA MET 78 -0.545 -13.030 -7.104 624 HB2 MET 78 HB2 MET 78 1.520 -14.972 -6.540 625 HB3 MET 78 HB3 MET 78 2.063 -13.448 -5.866 626 HG2 MET 78 HG2 MET 78 -0.239 -13.225 -4.755 627 HG3 MET 78 HG3 MET 78 -0.581 -14.861 -5.283 628 HE1 MET 78 HE1 MET 78 0.232 -14.931 -1.389 629 HE2 MET 78 HE2 MET 78 -0.748 -13.884 -2.443 630 HE3 MET 78 HE3 MET 78 -0.874 -15.654 -2.581 631 HA PRO 79 HA PRO 79 3.266 -10.275 -7.745 632 HB2 PRO 79 HB2 PRO 79 5.235 -11.046 -9.476 633 HB3 PRO 79 HB3 PRO 79 5.321 -11.314 -7.747 634 HG2 PRO 79 HG2 PRO 79 4.757 -13.261 -9.899 635 HG3 PRO 79 HG3 PRO 79 5.261 -13.565 -8.248 636 HD2 PRO 79 HD2 PRO 79 2.617 -13.869 -9.318 637 HD3 PRO 79 HD3 PRO 79 3.099 -14.060 -7.644 638 H ALA 80 H ALA 80 4.608 -9.262 -9.960 639 HA ALA 80 HA ALA 80 4.268 -8.317 -11.948 640 HB1 ALA 80 HB1 ALA 80 2.955 -10.647 -12.304 641 HB2 ALA 80 HB2 ALA 80 1.575 -9.528 -12.408 642 HB3 ALA 80 HB3 ALA 80 2.953 -9.347 -13.520 643 H GLY 81 H GLY 81 1.062 -8.730 -10.275 644 HA2 GLY 81 HA2 GLY 81 -0.022 -6.279 -10.962 645 HA3 GLY 81 HA3 GLY 81 -0.419 -7.212 -9.533 646 H LEU 82 H LEU 82 2.393 -7.137 -8.463 647 HA LEU 82 HA LEU 82 2.161 -4.940 -6.824 648 HB2 LEU 82 HB2 LEU 82 3.540 -7.028 -6.526 649 HB3 LEU 82 HB3 LEU 82 4.734 -6.317 -7.594 650 HG LEU 82 HG LEU 82 4.464 -4.301 -5.797 651 HD11 LEU 82 HD11 LEU 82 3.324 -4.940 -3.999 652 HD12 LEU 82 HD12 LEU 82 3.274 -6.635 -4.542 653 HD13 LEU 82 HD13 LEU 82 4.678 -6.034 -3.627 654 HD21 LEU 82 HD21 LEU 82 6.296 -6.645 -5.275 655 HD22 LEU 82 HD22 LEU 82 6.522 -5.530 -6.644 656 HD23 LEU 82 HD23 LEU 82 6.587 -4.915 -4.975 657 H VAL 83 H VAL 83 4.876 -5.235 -9.201 658 HA VAL 83 HA VAL 83 5.188 -2.437 -9.310 659 HB VAL 83 HB VAL 83 6.214 -4.687 -11.049 660 HG11 VAL 83 HG11 VAL 83 7.383 -1.901 -10.897 661 HG12 VAL 83 HG12 VAL 83 7.738 -3.197 -12.064 662 HG13 VAL 83 HG13 VAL 83 6.170 -2.357 -12.117 663 HG21 VAL 83 HG21 VAL 83 8.332 -3.665 -9.606 664 HG22 VAL 83 HG22 VAL 83 6.990 -3.581 -8.440 665 HG23 VAL 83 HG23 VAL 83 7.411 -5.134 -9.201 666 H ALA 84 H ALA 84 4.069 -4.805 -11.838 667 HA ALA 84 HA ALA 84 3.343 -3.127 -13.789 668 HB1 ALA 84 HB1 ALA 84 1.496 -5.354 -12.889 669 HB2 ALA 84 HB2 ALA 84 1.897 -4.840 -14.545 670 HB3 ALA 84 HB3 ALA 84 3.109 -5.693 -13.560 671 H GLY 85 H GLY 85 1.720 -3.572 -10.641 672 HA2 GLY 85 HA2 GLY 85 -0.638 -2.120 -11.328 673 HA3 GLY 85 HA3 GLY 85 -0.087 -2.572 -9.727 674 H LEU 86 H LEU 86 2.330 -1.333 -9.370 675 HA LEU 86 HA LEU 86 1.704 1.208 -8.663 676 HB2 LEU 86 HB2 LEU 86 3.849 1.382 -8.014 677 HB3 LEU 86 HB3 LEU 86 3.789 -0.351 -8.263 678 HG LEU 86 HG LEU 86 4.732 0.057 -10.587 679 HD11 LEU 86 HD11 LEU 86 4.437 2.805 -9.711 680 HD12 LEU 86 HD12 LEU 86 6.118 2.448 -10.176 681 HD13 LEU 86 HD13 LEU 86 4.793 2.150 -11.328 682 HD21 LEU 86 HD21 LEU 86 6.066 0.155 -7.990 683 HD22 LEU 86 HD22 LEU 86 6.456 -0.785 -9.450 684 HD23 LEU 86 HD23 LEU 86 7.028 0.894 -9.293 685 H SER 87 H SER 87 3.026 0.052 -11.811 686 HA SER 87 HA SER 87 3.334 2.623 -12.854 687 HB2 SER 87 HB2 SER 87 4.241 0.257 -13.640 688 HB3 SER 87 HB3 SER 87 2.770 0.212 -14.591 689 HG SER 87 HG SER 87 3.676 1.541 -15.994 690 H LEU 88 H LEU 88 0.810 0.059 -13.435 691 HA LEU 88 HA LEU 88 -0.832 1.434 -15.098 692 HB2 LEU 88 HB2 LEU 88 -0.972 -0.863 -13.389 693 HB3 LEU 88 HB3 LEU 88 -2.480 0.022 -13.280 694 HG LEU 88 HG LEU 88 -2.622 -1.696 -14.982 695 HD11 LEU 88 HD11 LEU 88 -3.991 0.184 -15.423 696 HD12 LEU 88 HD12 LEU 88 -2.617 1.141 -16.026 697 HD13 LEU 88 HD13 LEU 88 -3.217 -0.245 -16.968 698 HD21 LEU 88 HD21 LEU 88 0.030 -0.768 -15.671 699 HD22 LEU 88 HD22 LEU 88 -0.808 -2.270 -16.127 700 HD23 LEU 88 HD23 LEU 88 -1.028 -0.798 -17.102 701 H MET 89 H MET 89 -0.158 2.050 -11.701 702 HA MET 89 HA MET 89 -2.507 3.607 -11.323 703 HB2 MET 89 HB2 MET 89 -1.216 2.359 -9.502 704 HB3 MET 89 HB3 MET 89 0.098 3.501 -9.703 705 HG2 MET 89 HG2 MET 89 -2.272 5.074 -9.386 706 HG3 MET 89 HG3 MET 89 -2.363 3.809 -8.177 707 HE1 MET 89 HE1 MET 89 1.047 6.181 -9.404 708 HE2 MET 89 HE2 MET 89 -0.651 6.514 -9.821 709 HE3 MET 89 HE3 MET 89 0.136 7.418 -8.505 710 H MET 90 H MET 90 1.043 4.432 -11.300 711 HA MET 90 HA MET 90 0.826 7.102 -11.250 712 HB2 MET 90 HB2 MET 90 3.092 7.092 -11.954 713 HB3 MET 90 HB3 MET 90 2.895 5.434 -11.420 714 HG2 MET 90 HG2 MET 90 3.804 5.018 -13.515 715 HG3 MET 90 HG3 MET 90 2.114 5.069 -13.972 716 HE1 MET 90 HE1 MET 90 2.799 5.253 -16.121 717 HE2 MET 90 HE2 MET 90 1.868 6.712 -16.535 718 HE3 MET 90 HE3 MET 90 3.596 6.611 -16.951 719 H ILE 91 H ILE 91 -0.009 4.951 -13.915 720 HA ILE 91 HA ILE 91 -0.065 7.144 -15.813 721 HB ILE 91 HB ILE 91 0.777 4.807 -16.309 722 HG12 ILE 91 HG12 ILE 91 -1.038 5.010 -18.466 723 HG13 ILE 91 HG13 ILE 91 -0.787 6.648 -17.897 724 HG21 ILE 91 HG21 ILE 91 -2.187 4.233 -16.149 725 HG22 ILE 91 HG22 ILE 91 -1.040 3.213 -17.050 726 HG23 ILE 91 HG23 ILE 91 -0.855 3.422 -15.292 727 HD11 ILE 91 HD11 ILE 91 1.442 6.668 -18.488 728 HD12 ILE 91 HD12 ILE 91 1.670 4.948 -18.088 729 HD13 ILE 91 HD13 ILE 91 0.903 5.411 -19.627 730 H LEU 92 H LEU 92 -2.269 4.966 -13.984 731 HA LEU 92 HA LEU 92 -4.636 5.748 -15.185 732 HB2 LEU 92 HB2 LEU 92 -5.065 3.993 -13.886 733 HB3 LEU 92 HB3 LEU 92 -3.776 4.369 -12.760 734 HG LEU 92 HG LEU 92 -6.433 5.816 -12.758 735 HD11 LEU 92 HD11 LEU 92 -6.013 3.899 -10.594 736 HD12 LEU 92 HD12 LEU 92 -7.439 4.183 -11.621 737 HD13 LEU 92 HD13 LEU 92 -6.124 3.129 -12.195 738 HD21 LEU 92 HD21 LEU 92 -3.972 6.271 -11.415 739 HD22 LEU 92 HD22 LEU 92 -5.526 7.115 -11.210 740 HD23 LEU 92 HD23 LEU 92 -5.147 5.693 -10.209 741 H ARG 93 H ARG 93 -2.470 7.466 -13.017 742 HA ARG 93 HA ARG 93 -4.547 9.401 -12.476 743 HB2 ARG 93 HB2 ARG 93 -2.028 8.566 -11.175 744 HB3 ARG 93 HB3 ARG 93 -2.163 10.310 -11.281 745 HG2 ARG 93 HG2 ARG 93 -4.729 9.570 -10.477 746 HG3 ARG 93 HG3 ARG 93 -3.730 8.394 -9.646 747 HD2 ARG 93 HD2 ARG 93 -2.586 10.037 -8.395 748 HD3 ARG 93 HD3 ARG 93 -2.893 11.300 -9.570 749 HE ARG 93 HE ARG 93 -5.338 10.257 -8.337 750 HH11 ARG 93 HH22 ARG 93 -2.721 12.588 -8.022 751 HH12 ARG 93 HH21 ARG 93 -3.621 13.650 -6.991 752 HH21 ARG 93 HH12 ARG 93 -6.526 11.659 -6.978 753 HH22 ARG 93 HH11 ARG 93 -5.799 13.118 -6.394 754 H LEU 94 H LEU 94 -1.172 9.154 -13.798 755 HA LEU 94 HA LEU 94 -0.830 11.777 -14.529 756 HB2 LEU 94 HB2 LEU 94 0.903 10.050 -14.519 757 HB3 LEU 94 HB3 LEU 94 0.160 9.276 -15.905 758 HG LEU 94 HG LEU 94 0.988 12.148 -16.140 759 HD11 LEU 94 HD11 LEU 94 3.084 10.263 -16.940 760 HD12 LEU 94 HD12 LEU 94 3.196 11.813 -16.073 761 HD13 LEU 94 HD13 LEU 94 2.809 10.321 -15.182 762 HD21 LEU 94 HD21 LEU 94 1.366 10.031 -18.225 763 HD22 LEU 94 HD22 LEU 94 -0.270 10.645 -17.886 764 HD23 LEU 94 HD23 LEU 94 1.012 11.766 -18.405 765 H VAL 95 H VAL 95 -3.028 9.378 -15.802 766 HA VAL 95 HA VAL 95 -3.298 10.434 -18.397 767 HB VAL 95 HB VAL 95 -4.794 8.585 -16.604 768 HG11 VAL 95 HG11 VAL 95 -6.713 9.650 -17.380 769 HG12 VAL 95 HG12 VAL 95 -5.991 10.029 -18.961 770 HG13 VAL 95 HG13 VAL 95 -6.478 8.360 -18.583 771 HG21 VAL 95 HG21 VAL 95 -3.846 8.338 -19.479 772 HG22 VAL 95 HG22 VAL 95 -2.926 7.819 -18.045 773 HG23 VAL 95 HG23 VAL 95 -4.471 7.030 -18.445 774 H LEU 96 H LEU 96 -5.549 10.693 -15.548 775 HA LEU 96 HA LEU 96 -6.920 12.870 -16.747 776 HB2 LEU 96 HB2 LEU 96 -8.025 12.985 -14.498 777 HB3 LEU 96 HB3 LEU 96 -8.185 11.475 -15.373 778 HG LEU 96 HG LEU 96 -5.879 11.319 -13.657 779 HD11 LEU 96 HD11 LEU 96 -8.336 12.526 -12.446 780 HD12 LEU 96 HD12 LEU 96 -7.395 11.343 -11.506 781 HD13 LEU 96 HD13 LEU 96 -6.617 12.831 -12.098 782 HD21 LEU 96 HD21 LEU 96 -7.029 9.379 -14.498 783 HD22 LEU 96 HD22 LEU 96 -7.139 9.393 -12.721 784 HD23 LEU 96 HD23 LEU 96 -8.542 9.877 -13.704 785 H LEU 97 H LEU 97 -4.424 12.512 -14.165 786 HA LEU 97 HA LEU 97 -3.364 14.091 -12.972 787 HB2 LEU 97 HB2 LEU 97 -1.653 14.819 -14.207 788 HB3 LEU 97 HB3 LEU 97 -2.383 13.801 -15.433 789 HG LEU 97 HG LEU 97 -3.680 16.170 -15.883 790 HD11 LEU 97 HD11 LEU 97 -1.640 16.911 -14.152 791 HD12 LEU 97 HD12 LEU 97 -1.004 17.312 -15.765 792 HD13 LEU 97 HD13 LEU 97 -2.564 17.982 -15.233 793 HD21 LEU 97 HD21 LEU 97 -1.025 15.445 -17.141 794 HD22 LEU 97 HD22 LEU 97 -2.552 14.598 -17.492 795 HD23 LEU 97 HD23 LEU 97 -2.385 16.329 -17.873 796 H LEU 98 H LEU 98 -6.239 14.611 -13.235 797 HA LEU 98 HA LEU 98 -6.226 17.540 -13.361 798 HB2 LEU 98 HB2 LEU 98 -8.376 17.494 -14.071 799 HB3 LEU 98 HB3 LEU 98 -7.780 16.008 -14.782 800 HG LEU 98 HG LEU 98 -8.707 14.914 -12.571 801 HD11 LEU 98 HD11 LEU 98 -10.832 16.973 -12.686 802 HD12 LEU 98 HD12 LEU 98 -10.198 16.040 -11.309 803 HD13 LEU 98 HD13 LEU 98 -9.308 17.460 -11.906 804 HD21 LEU 98 HD21 LEU 98 -9.499 14.309 -14.754 805 HD22 LEU 98 HD22 LEU 98 -10.905 14.595 -13.701 806 HD23 LEU 98 HD23 LEU 98 -10.422 15.824 -14.894 807 H LEU 99 H LEU 99 -6.927 14.669 -11.344 808 HA LEU 99 HA LEU 99 -8.077 16.126 -9.219 809 HB2 LEU 99 HB2 LEU 99 -7.367 13.395 -9.857 810 HB3 LEU 99 HB3 LEU 99 -6.934 13.779 -8.203 811 HG LEU 99 HG LEU 99 -9.689 14.255 -9.367 812 HD11 LEU 99 HD11 LEU 99 -8.966 11.832 -9.355 813 HD12 LEU 99 HD12 LEU 99 -8.885 11.952 -7.581 814 HD13 LEU 99 HD13 LEU 99 -10.432 12.215 -8.421 815 HD21 LEU 99 HD21 LEU 99 -9.783 13.913 -6.575 816 HD22 LEU 99 HD22 LEU 99 -8.422 15.015 -6.893 817 HD23 LEU 99 HD23 LEU 99 -10.046 15.407 -7.506 Start of MODEL 13 1 H MET 1 H1 MET 1 -18.369 13.667 -28.250 2 HA MET 1 HA MET 1 -19.915 15.156 -27.438 3 HB2 MET 1 HB2 MET 1 -17.533 16.419 -26.468 4 HB3 MET 1 HB3 MET 1 -18.313 17.621 -27.476 5 HG2 MET 1 HG2 MET 1 -20.377 16.373 -25.905 6 HG3 MET 1 HG3 MET 1 -19.057 16.747 -24.815 7 HE1 MET 1 HE1 MET 1 -20.721 18.126 -23.630 8 HE2 MET 1 HE2 MET 1 -21.210 19.778 -24.076 9 HE3 MET 1 HE3 MET 1 -22.073 18.379 -24.760 10 H ASP 2 H ASP 2 -17.247 16.560 -29.476 11 HA ASP 2 HA ASP 2 -19.066 16.628 -31.680 12 HB2 ASP 2 HB2 ASP 2 -18.573 18.984 -30.084 13 HB3 ASP 2 HB3 ASP 2 -17.783 19.216 -31.631 14 H LEU 3 H LEU 3 -15.951 18.072 -30.432 15 HA LEU 3 HA LEU 3 -14.613 17.813 -32.897 16 HB2 LEU 3 HB2 LEU 3 -13.830 18.427 -30.074 17 HB3 LEU 3 HB3 LEU 3 -12.585 18.092 -31.261 18 HG LEU 3 HG LEU 3 -12.988 20.497 -30.972 19 HD11 LEU 3 HD11 LEU 3 -12.642 19.130 -33.337 20 HD12 LEU 3 HD12 LEU 3 -13.995 20.225 -33.709 21 HD13 LEU 3 HD13 LEU 3 -12.456 20.885 -33.106 22 HD21 LEU 3 HD21 LEU 3 -15.690 20.174 -32.266 23 HD22 LEU 3 HD22 LEU 3 -15.491 20.138 -30.498 24 HD23 LEU 3 HD23 LEU 3 -15.006 21.582 -31.419 25 H ILE 4 H ILE 4 -14.056 16.030 -29.775 26 HA ILE 4 HA ILE 4 -12.395 14.118 -30.713 27 HB ILE 4 HB ILE 4 -12.700 14.138 -28.445 28 HG12 ILE 4 HG12 ILE 4 -14.525 11.830 -28.688 29 HG13 ILE 4 HG13 ILE 4 -13.135 11.771 -29.754 30 HG21 ILE 4 HG21 ILE 4 -15.471 14.727 -29.108 31 HG22 ILE 4 HG22 ILE 4 -15.334 13.566 -27.766 32 HG23 ILE 4 HG23 ILE 4 -14.522 15.146 -27.661 33 HD11 ILE 4 HD11 ILE 4 -12.910 12.374 -26.773 34 HD12 ILE 4 HD12 ILE 4 -12.761 10.739 -27.459 35 HD13 ILE 4 HD13 ILE 4 -11.586 12.000 -27.902 36 H GLY 5 H GLY 5 -15.677 12.910 -29.985 37 HA2 GLY 5 HA2 GLY 5 -17.118 11.667 -31.188 38 HA3 GLY 5 HA3 GLY 5 -16.420 12.329 -32.653 39 H PHE 6 H PHE 6 -14.072 11.444 -33.164 40 HA PHE 6 HA PHE 6 -14.333 8.683 -33.525 41 HB2 PHE 6 HB2 PHE 6 -12.909 10.700 -34.649 42 HB3 PHE 6 HB3 PHE 6 -11.681 10.186 -33.508 43 HD1 PHE 6 HD2 PHE 6 -13.689 9.129 -36.412 44 HD2 PHE 6 HD1 PHE 6 -10.442 8.175 -33.851 45 HE1 PHE 6 HE2 PHE 6 -12.962 7.330 -38.004 46 HE2 PHE 6 HE1 PHE 6 -9.716 6.375 -35.443 47 HZ PHE 6 HZ PHE 6 -10.984 5.975 -37.501 48 H GLY 7 H GLY 7 -12.191 10.636 -31.334 49 HA2 GLY 7 HA2 GLY 7 -10.663 8.766 -30.163 50 HA3 GLY 7 HA3 GLY 7 -11.384 10.101 -29.285 51 H TYR 8 H TYR 8 -14.041 9.585 -29.069 52 HA TYR 8 HA TYR 8 -14.288 7.832 -27.025 53 HB2 TYR 8 HB2 TYR 8 -15.892 9.570 -28.280 54 HB3 TYR 8 HB3 TYR 8 -16.391 8.184 -29.230 55 HD1 TYR 8 HD1 TYR 8 -16.018 9.236 -25.647 56 HD2 TYR 8 HD2 TYR 8 -18.200 6.911 -28.500 57 HE1 TYR 8 HE1 TYR 8 -17.707 8.607 -23.854 58 HE2 TYR 8 HE2 TYR 8 -19.881 6.289 -26.697 59 HH TYR 8 HH TYR 8 -20.393 6.406 -24.600 60 H ALA 9 H ALA 9 -15.204 7.102 -30.474 61 HA ALA 9 HA ALA 9 -15.732 4.402 -29.977 62 HB1 ALA 9 HB1 ALA 9 -15.089 4.489 -32.629 63 HB2 ALA 9 HB2 ALA 9 -16.657 5.012 -31.968 64 HB3 ALA 9 HB3 ALA 9 -15.389 6.214 -32.308 65 H ALA 10 H ALA 10 -12.752 6.220 -30.317 66 HA ALA 10 HA ALA 10 -11.114 4.125 -31.235 67 HB1 ALA 10 HB1 ALA 10 -10.833 6.799 -30.890 68 HB2 ALA 10 HB2 ALA 10 -9.987 6.219 -29.436 69 HB3 ALA 10 HB3 ALA 10 -9.453 5.687 -31.048 70 H LEU 11 H LEU 11 -11.356 5.570 -27.901 71 HA LEU 11 HA LEU 11 -9.952 3.551 -26.648 72 HB2 LEU 11 HB2 LEU 11 -10.628 4.514 -24.651 73 HB3 LEU 11 HB3 LEU 11 -10.597 5.839 -25.798 74 HG LEU 11 HG LEU 11 -13.172 5.272 -26.047 75 HD11 LEU 11 HD11 LEU 11 -13.985 3.752 -24.654 76 HD12 LEU 11 HD12 LEU 11 -12.382 3.535 -23.911 77 HD13 LEU 11 HD13 LEU 11 -13.497 4.769 -23.277 78 HD21 LEU 11 HD21 LEU 11 -13.641 7.102 -24.702 79 HD22 LEU 11 HD22 LEU 11 -12.369 6.698 -23.524 80 HD23 LEU 11 HD23 LEU 11 -11.929 7.351 -25.121 81 H VAL 12 H VAL 12 -13.447 3.830 -27.449 82 HA VAL 12 HA VAL 12 -14.356 1.668 -25.995 83 HB VAL 12 HB VAL 12 -15.205 3.082 -28.492 84 HG11 VAL 12 HG11 VAL 12 -15.810 0.809 -29.013 85 HG12 VAL 12 HG12 VAL 12 -16.487 0.564 -27.385 86 HG13 VAL 12 HG13 VAL 12 -17.282 1.680 -28.519 87 HG21 VAL 12 HG21 VAL 12 -15.770 3.209 -25.660 88 HG22 VAL 12 HG22 VAL 12 -16.244 4.328 -26.961 89 HG23 VAL 12 HG23 VAL 12 -17.269 2.924 -26.577 90 H THR 13 H THR 13 -12.932 1.817 -29.317 91 HA THR 13 HA THR 13 -13.256 -0.924 -29.858 92 HB THR 13 HB THR 13 -11.480 1.320 -30.916 93 HG1 THR 13 HG1 THR 13 -13.785 -0.301 -31.729 94 HG21 THR 13 HG21 THR 13 -11.839 -1.494 -32.072 95 HG22 THR 13 HG22 THR 13 -10.936 -0.155 -32.820 96 HG23 THR 13 HG23 THR 13 -10.336 -0.906 -31.321 97 H PHE 14 H PHE 14 -10.635 0.944 -28.263 98 HA PHE 14 HA PHE 14 -8.785 -1.130 -28.186 99 HB2 PHE 14 HB2 PHE 14 -8.422 1.327 -27.673 100 HB3 PHE 14 HB3 PHE 14 -9.417 1.170 -26.239 101 HD1 PHE 14 HD1 PHE 14 -6.326 -0.245 -27.772 102 HD2 PHE 14 HD2 PHE 14 -8.400 0.737 -24.202 103 HE1 PHE 14 HE1 PHE 14 -4.291 -0.838 -26.426 104 HE2 PHE 14 HE2 PHE 14 -6.365 0.144 -22.857 105 HZ PHE 14 HZ PHE 14 -4.335 -0.636 -23.985 106 H GLY 15 H GLY 15 -11.161 -0.029 -25.659 107 HA2 GLY 15 HA2 GLY 15 -10.554 -2.040 -23.800 108 HA3 GLY 15 HA3 GLY 15 -12.024 -1.090 -23.877 109 H SER 16 H SER 16 -12.583 -1.990 -26.732 110 HA SER 16 HA SER 16 -14.167 -4.174 -26.042 111 HB2 SER 16 HB2 SER 16 -13.862 -2.392 -28.251 112 HB3 SER 16 HB3 SER 16 -13.715 -4.009 -28.910 113 HG SER 16 HG SER 16 -15.821 -4.266 -28.675 114 H ILE 17 H ILE 17 -11.123 -3.850 -27.991 115 HA ILE 17 HA ILE 17 -10.937 -6.618 -28.528 116 HB ILE 17 HB ILE 17 -8.912 -4.382 -28.644 117 HG12 ILE 17 HG12 ILE 17 -10.435 -5.707 -30.901 118 HG13 ILE 17 HG13 ILE 17 -10.972 -4.239 -30.110 119 HG21 ILE 17 HG21 ILE 17 -8.422 -6.723 -30.326 120 HG22 ILE 17 HG22 ILE 17 -7.312 -5.799 -29.285 121 HG23 ILE 17 HG23 ILE 17 -8.330 -7.080 -28.585 122 HD11 ILE 17 HD11 ILE 17 -8.233 -4.572 -31.416 123 HD12 ILE 17 HD12 ILE 17 -9.636 -3.799 -32.192 124 HD13 ILE 17 HD13 ILE 17 -8.908 -3.070 -30.741 125 H PHE 18 H PHE 18 -8.825 -4.528 -26.430 126 HA PHE 18 HA PHE 18 -7.425 -6.405 -25.165 127 HB2 PHE 18 HB2 PHE 18 -8.233 -3.690 -24.799 128 HB3 PHE 18 HB3 PHE 18 -8.620 -4.457 -23.272 129 HD1 PHE 18 HD1 PHE 18 -5.816 -4.146 -25.710 130 HD2 PHE 18 HD2 PHE 18 -6.969 -4.658 -21.659 131 HE1 PHE 18 HE1 PHE 18 -3.416 -3.949 -25.002 132 HE2 PHE 18 HE2 PHE 18 -4.569 -4.461 -20.950 133 HZ PHE 18 HZ PHE 18 -2.821 -4.109 -22.630 134 H GLY 19 H GLY 19 -10.716 -5.288 -24.095 135 HA2 GLY 19 HA2 GLY 19 -12.224 -6.233 -22.719 136 HA3 GLY 19 HA3 GLY 19 -11.748 -7.749 -23.460 137 H TYR 20 H TYR 20 -10.231 -5.385 -21.137 138 HA TYR 20 HA TYR 20 -8.974 -5.764 -19.327 139 HB2 TYR 20 HB2 TYR 20 -11.651 -7.032 -19.167 140 HB3 TYR 20 HB3 TYR 20 -10.527 -7.842 -18.094 141 HD1 TYR 20 HD2 TYR 20 -9.313 -6.478 -16.326 142 HD2 TYR 20 HD1 TYR 20 -12.576 -4.914 -18.608 143 HE1 TYR 20 HE2 TYR 20 -9.653 -4.645 -14.597 144 HE2 TYR 20 HE1 TYR 20 -12.905 -3.086 -16.872 145 HH TYR 20 HH TYR 20 -12.311 -2.315 -14.939 146 H LYS 21 H LYS 21 -7.042 -6.702 -20.079 147 HA LYS 21 HA LYS 21 -6.766 -9.329 -20.891 148 HB2 LYS 21 HB2 LYS 21 -5.168 -7.177 -20.879 149 HB3 LYS 21 HB3 LYS 21 -4.499 -7.995 -19.482 150 HG2 LYS 21 HG2 LYS 21 -4.330 -10.113 -20.903 151 HG3 LYS 21 HG3 LYS 21 -4.809 -9.155 -22.289 152 HD2 LYS 21 HD2 LYS 21 -2.692 -7.728 -20.959 153 HD3 LYS 21 HD3 LYS 21 -2.186 -9.401 -21.092 154 HE2 LYS 21 HE2 LYS 21 -2.778 -9.342 -23.554 155 HE3 LYS 21 HE3 LYS 21 -3.167 -7.641 -23.391 156 HZ1 LYS 21 HZ1 LYS 21 -0.862 -7.372 -22.524 157 HZ2 LYS 21 HZ2 LYS 21 -0.552 -8.905 -22.996 158 HZ3 LYS 21 HZ3 LYS 21 -0.961 -7.776 -24.103 159 H ARG 22 H ARG 22 -5.707 -11.166 -19.774 160 HA ARG 22 HA ARG 22 -5.452 -11.164 -17.012 161 HB2 ARG 22 HB2 ARG 22 -8.093 -11.175 -17.535 162 HB3 ARG 22 HB3 ARG 22 -7.812 -12.884 -17.803 163 HG2 ARG 22 HG2 ARG 22 -6.689 -12.986 -15.516 164 HG3 ARG 22 HG3 ARG 22 -7.173 -11.321 -15.258 165 HD2 ARG 22 HD2 ARG 22 -9.291 -11.943 -14.700 166 HD3 ARG 22 HD3 ARG 22 -9.467 -12.882 -16.169 167 HE ARG 22 HE ARG 22 -7.803 -14.158 -14.100 168 HH11 ARG 22 HH22 ARG 22 -11.034 -13.807 -15.449 169 HH12 ARG 22 HH21 ARG 22 -11.614 -15.294 -14.778 170 HH21 ARG 22 HH12 ARG 22 -8.568 -16.121 -13.215 171 HH22 ARG 22 HH11 ARG 22 -10.202 -16.620 -13.499 172 H ARG 23 H ARG 23 -3.484 -12.236 -17.633 173 HA ARG 23 HA ARG 23 -3.746 -14.656 -19.146 174 HB2 ARG 23 HB2 ARG 23 -1.707 -12.709 -18.761 175 HB3 ARG 23 HB3 ARG 23 -1.079 -14.168 -18.021 176 HG2 ARG 23 HG2 ARG 23 -2.195 -15.130 -20.396 177 HG3 ARG 23 HG3 ARG 23 -1.565 -13.569 -20.881 178 HD2 ARG 23 HD2 ARG 23 0.447 -14.745 -19.223 179 HD3 ARG 23 HD3 ARG 23 -0.105 -16.021 -20.290 180 HE ARG 23 HE ARG 23 0.285 -13.587 -21.792 181 HH11 ARG 23 HH22 ARG 23 2.073 -16.190 -20.238 182 HH12 ARG 23 HH21 ARG 23 3.450 -16.037 -21.279 183 HH21 ARG 23 HH12 ARG 23 2.101 -13.386 -23.165 184 HH22 ARG 23 HH11 ARG 23 3.465 -14.431 -22.955 185 H GLY 24 H GLY 24 -1.995 -13.759 -16.073 186 HA2 GLY 24 HA2 GLY 24 -3.166 -16.052 -14.711 187 HA3 GLY 24 HA3 GLY 24 -1.435 -16.115 -14.981 188 H GLY 25 H GLY 25 -1.936 -16.157 -12.406 189 HA2 GLY 25 HA2 GLY 25 -1.192 -15.069 -10.545 190 HA3 GLY 25 HA3 GLY 25 -1.030 -13.582 -11.458 191 H VAL 26 H VAL 26 -3.186 -15.607 -9.512 192 HA VAL 26 HA VAL 26 -5.556 -14.173 -9.956 193 HB VAL 26 HB VAL 26 -4.528 -16.255 -8.186 194 HG11 VAL 26 HG11 VAL 26 -6.354 -15.957 -6.482 195 HG12 VAL 26 HG12 VAL 26 -5.046 -14.753 -6.387 196 HG13 VAL 26 HG13 VAL 26 -6.606 -14.317 -7.125 197 HG21 VAL 26 HG21 VAL 26 -6.960 -15.641 -9.796 198 HG22 VAL 26 HG22 VAL 26 -5.980 -17.125 -9.712 199 HG23 VAL 26 HG23 VAL 26 -7.155 -16.761 -8.426 200 HA PRO 27 HA PRO 27 -4.152 -11.654 -6.208 201 HB2 PRO 27 HB2 PRO 27 -1.608 -11.917 -5.246 202 HB3 PRO 27 HB3 PRO 27 -2.981 -12.770 -4.570 203 HG2 PRO 27 HG2 PRO 27 -0.819 -13.812 -6.295 204 HG3 PRO 27 HG3 PRO 27 -1.937 -14.700 -5.278 205 HD2 PRO 27 HD2 PRO 27 -2.056 -14.432 -8.131 206 HD3 PRO 27 HD3 PRO 27 -3.235 -15.221 -7.103 207 H SER 28 H SER 28 -4.221 -10.834 -8.685 208 HA SER 28 HA SER 28 -1.862 -9.121 -8.810 209 HB2 SER 28 HB2 SER 28 -3.575 -10.019 -11.167 210 HB3 SER 28 HB3 SER 28 -2.083 -9.104 -11.249 211 HG SER 28 HG SER 28 -1.115 -11.062 -10.078 212 H LEU 29 H LEU 29 -5.218 -9.290 -10.228 213 HA LEU 29 HA LEU 29 -5.654 -6.655 -10.593 214 HB2 LEU 29 HB2 LEU 29 -8.101 -7.272 -10.031 215 HB3 LEU 29 HB3 LEU 29 -7.300 -7.999 -11.410 216 HG LEU 29 HG LEU 29 -6.903 -9.647 -9.067 217 HD11 LEU 29 HD11 LEU 29 -9.622 -8.527 -9.451 218 HD12 LEU 29 HD12 LEU 29 -9.514 -10.288 -9.212 219 HD13 LEU 29 HD13 LEU 29 -8.835 -9.181 -7.994 220 HD21 LEU 29 HD21 LEU 29 -7.945 -9.919 -11.852 221 HD22 LEU 29 HD22 LEU 29 -6.626 -10.784 -11.026 222 HD23 LEU 29 HD23 LEU 29 -8.320 -11.204 -10.678 223 H ILE 30 H ILE 30 -6.579 -8.451 -7.566 224 HA ILE 30 HA ILE 30 -7.366 -6.291 -6.102 225 HB ILE 30 HB ILE 30 -7.455 -8.783 -5.586 226 HG12 ILE 30 HG12 ILE 30 -8.131 -6.764 -4.113 227 HG13 ILE 30 HG13 ILE 30 -7.984 -8.347 -3.375 228 HG21 ILE 30 HG21 ILE 30 -4.750 -8.186 -4.354 229 HG22 ILE 30 HG22 ILE 30 -5.695 -9.681 -4.156 230 HG23 ILE 30 HG23 ILE 30 -5.053 -9.239 -5.757 231 HD11 ILE 30 HD11 ILE 30 -5.979 -7.812 -2.276 232 HD12 ILE 30 HD12 ILE 30 -5.562 -6.537 -3.446 233 HD13 ILE 30 HD13 ILE 30 -6.837 -6.253 -2.237 234 H ALA 31 H ALA 31 -4.034 -7.508 -6.708 235 HA ALA 31 HA ALA 31 -2.681 -5.935 -4.902 236 HB1 ALA 31 HB1 ALA 31 -0.942 -6.965 -5.891 237 HB2 ALA 31 HB2 ALA 31 -2.101 -7.684 -7.035 238 HB3 ALA 31 HB3 ALA 31 -1.277 -6.159 -7.442 239 H GLY 32 H GLY 32 -3.158 -5.198 -8.436 240 HA2 GLY 32 HA2 GLY 32 -2.244 -2.596 -8.379 241 HA3 GLY 32 HA3 GLY 32 -3.418 -3.240 -9.510 242 H LEU 33 H LEU 33 -5.714 -3.701 -8.216 243 HA LEU 33 HA LEU 33 -6.945 -1.340 -7.926 244 HB2 LEU 33 HB2 LEU 33 -8.233 -3.282 -8.061 245 HB3 LEU 33 HB3 LEU 33 -7.456 -4.020 -6.675 246 HG LEU 33 HG LEU 33 -8.604 -1.743 -5.590 247 HD11 LEU 33 HD11 LEU 33 -10.914 -2.861 -7.052 248 HD12 LEU 33 HD12 LEU 33 -10.561 -1.190 -6.551 249 HD13 LEU 33 HD13 LEU 33 -9.806 -1.857 -8.018 250 HD21 LEU 33 HD21 LEU 33 -9.658 -3.216 -4.232 251 HD22 LEU 33 HD22 LEU 33 -10.241 -4.220 -5.581 252 HD23 LEU 33 HD23 LEU 33 -8.556 -4.366 -5.028 253 H PHE 34 H PHE 34 -5.640 -3.271 -5.133 254 HA PHE 34 HA PHE 34 -6.164 -1.467 -3.164 255 HB2 PHE 34 HB2 PHE 34 -4.952 -3.887 -3.378 256 HB3 PHE 34 HB3 PHE 34 -3.491 -2.920 -3.336 257 HD1 PHE 34 HD1 PHE 34 -6.541 -3.779 -1.430 258 HD2 PHE 34 HD2 PHE 34 -2.679 -2.025 -1.301 259 HE1 PHE 34 HE1 PHE 34 -6.652 -3.720 1.077 260 HE2 PHE 34 HE2 PHE 34 -2.790 -1.966 1.206 261 HZ PHE 34 HZ PHE 34 -4.776 -2.813 2.365 262 H VAL 35 H VAL 35 -3.194 -1.656 -5.245 263 HA VAL 35 HA VAL 35 -1.847 0.451 -4.045 264 HB VAL 35 HB VAL 35 -1.808 -0.672 -6.848 265 HG11 VAL 35 HG11 VAL 35 -0.718 1.793 -6.007 266 HG12 VAL 35 HG12 VAL 35 0.647 0.653 -6.095 267 HG13 VAL 35 HG13 VAL 35 -0.389 0.913 -7.520 268 HG21 VAL 35 HG21 VAL 35 -0.634 -1.446 -4.280 269 HG22 VAL 35 HG22 VAL 35 -0.809 -2.376 -5.787 270 HG23 VAL 35 HG23 VAL 35 0.578 -1.282 -5.572 271 H GLY 36 H GLY 36 -4.520 0.367 -6.391 272 HA2 GLY 36 HA2 GLY 36 -4.280 3.067 -7.253 273 HA3 GLY 36 HA3 GLY 36 -5.664 2.008 -7.433 274 H CYS 37 H CYS 37 -6.170 1.363 -4.676 275 HA CYS 37 HA CYS 37 -7.704 3.575 -3.962 276 HB2 CYS 37 HB2 CYS 37 -7.638 0.922 -3.247 277 HB3 CYS 37 HB3 CYS 37 -7.051 1.689 -1.785 278 HG CYS 37 HG CYS 37 -9.446 1.626 -1.211 279 H LEU 38 H LEU 38 -4.728 2.122 -2.437 280 HA LEU 38 HA LEU 38 -4.361 4.179 -0.592 281 HB2 LEU 38 HB2 LEU 38 -2.064 3.265 -0.418 282 HB3 LEU 38 HB3 LEU 38 -3.345 2.085 -0.226 283 HG LEU 38 HG LEU 38 -2.829 1.843 -2.898 284 HD11 LEU 38 HD11 LEU 38 -0.447 3.053 -1.645 285 HD12 LEU 38 HD12 LEU 38 -0.139 1.593 -2.616 286 HD13 LEU 38 HD13 LEU 38 -0.954 2.995 -3.350 287 HD21 LEU 38 HD21 LEU 38 -1.362 -0.138 -2.149 288 HD22 LEU 38 HD22 LEU 38 -1.752 0.385 -0.493 289 HD23 LEU 38 HD23 LEU 38 -3.057 -0.085 -1.608 290 H ALA 39 H ALA 39 -3.483 3.832 -4.026 291 HA ALA 39 HA ALA 39 -1.553 5.808 -4.186 292 HB1 ALA 39 HB1 ALA 39 -2.621 5.985 -6.603 293 HB2 ALA 39 HB2 ALA 39 -1.777 4.503 -6.094 294 HB3 ALA 39 HB3 ALA 39 -3.555 4.570 -6.062 295 H GLY 40 H GLY 40 -5.147 6.058 -4.678 296 HA2 GLY 40 HA2 GLY 40 -5.207 8.827 -5.073 297 HA3 GLY 40 HA3 GLY 40 -6.538 7.817 -4.545 298 H TYR 41 H TYR 41 -5.814 6.853 -2.075 299 HA TYR 41 HA TYR 41 -6.377 8.917 -0.366 300 HB2 TYR 41 HB2 TYR 41 -6.166 6.222 -0.234 301 HB3 TYR 41 HB3 TYR 41 -4.553 6.571 0.355 302 HD1 TYR 41 HD2 TYR 41 -8.039 7.827 1.005 303 HD2 TYR 41 HD1 TYR 41 -4.309 6.533 2.654 304 HE1 TYR 41 HE2 TYR 41 -8.959 8.145 3.354 305 HE2 TYR 41 HE1 TYR 41 -5.241 6.856 4.997 306 HH TYR 41 HH TYR 41 -7.608 6.817 6.012 307 H GLY 42 H GLY 42 -3.219 7.836 -1.639 308 HA2 GLY 42 HA2 GLY 42 -1.637 9.269 0.250 309 HA3 GLY 42 HA3 GLY 42 -1.117 8.577 -1.274 310 H ALA 43 H ALA 43 -2.456 9.842 -3.254 311 HA ALA 43 HA ALA 43 -1.238 12.368 -3.324 312 HB1 ALA 43 HB1 ALA 43 -3.130 10.779 -5.034 313 HB2 ALA 43 HB2 ALA 43 -2.919 12.511 -5.383 314 HB3 ALA 43 HB3 ALA 43 -1.514 11.420 -5.417 315 H TYR 44 H TYR 44 -4.081 11.254 -1.760 316 HA TYR 44 HA TYR 44 -5.766 13.469 -2.112 317 HB2 TYR 44 HB2 TYR 44 -5.831 10.965 -0.955 318 HB3 TYR 44 HB3 TYR 44 -5.560 11.918 0.491 319 HD1 TYR 44 HD1 TYR 44 -7.241 13.691 1.140 320 HD2 TYR 44 HD2 TYR 44 -7.980 10.871 -1.991 321 HE1 TYR 44 HE1 TYR 44 -9.732 14.182 1.276 322 HE2 TYR 44 HE2 TYR 44 -10.468 11.371 -1.845 323 HH TYR 44 HH TYR 44 -11.722 13.931 -0.651 324 H ARG 45 H ARG 45 -4.885 15.507 -1.804 325 HA ARG 45 HA ARG 45 -4.564 17.247 -0.481 326 HB2 ARG 45 HB2 ARG 45 -5.312 15.701 1.508 327 HB3 ARG 45 HB3 ARG 45 -3.600 15.502 1.821 328 HG2 ARG 45 HG2 ARG 45 -3.639 17.452 2.976 329 HG3 ARG 45 HG3 ARG 45 -3.936 18.292 1.467 330 HD2 ARG 45 HD2 ARG 45 -6.380 17.026 2.553 331 HD3 ARG 45 HD3 ARG 45 -5.681 18.192 3.658 332 HE ARG 45 HE ARG 45 -6.883 18.762 1.041 333 HH11 ARG 45 HH22 ARG 45 -4.734 19.951 3.562 334 HH12 ARG 45 HH21 ARG 45 -4.915 21.613 3.111 335 HH21 ARG 45 HH12 ARG 45 -7.122 20.955 0.445 336 HH22 ARG 45 HH11 ARG 45 -6.283 22.188 1.326 337 H VAL 46 H VAL 46 -2.396 14.516 -0.862 338 HA VAL 46 HA VAL 46 -0.251 14.402 -1.399 339 HB VAL 46 HB VAL 46 -0.925 17.178 -1.955 340 HG11 VAL 46 HG11 VAL 46 1.996 16.564 -1.392 341 HG12 VAL 46 HG12 VAL 46 1.331 18.081 -2.044 342 HG13 VAL 46 HG13 VAL 46 0.948 17.585 -0.378 343 HG21 VAL 46 HG21 VAL 46 1.202 16.008 -3.556 344 HG22 VAL 46 HG22 VAL 46 -0.149 14.870 -3.338 345 HG23 VAL 46 HG23 VAL 46 -0.448 16.484 -4.025 346 H SER 47 H SER 47 -1.546 15.401 1.436 347 HA SER 47 HA SER 47 1.012 15.934 2.690 348 HB2 SER 47 HB2 SER 47 -1.487 17.057 3.075 349 HB3 SER 47 HB3 SER 47 -1.437 15.883 4.374 350 HG SER 47 HG SER 47 0.797 16.845 4.826 351 H ASN 48 H ASN 48 -0.351 13.254 1.628 352 HA ASN 48 HA ASN 48 -0.318 11.802 4.129 353 HB2 ASN 48 HB2 ASN 48 -1.500 11.411 1.426 354 HB3 ASN 48 HB3 ASN 48 -0.799 9.947 2.087 355 HD21 ASN 48 HD21 ASN 48 -3.585 11.415 1.733 356 HD22 ASN 48 HD22 ASN 48 -4.438 10.995 3.181 357 H ASP 49 H ASP 49 0.697 10.895 0.755 358 HA ASP 49 HA ASP 49 3.219 10.006 1.913 359 HB2 ASP 49 HB2 ASP 49 1.343 8.578 0.426 360 HB3 ASP 49 HB3 ASP 49 2.496 9.051 -0.807 361 H LYS 50 H LYS 50 2.049 12.666 0.552 362 HA LYS 50 HA LYS 50 2.737 14.253 -0.823 363 HB2 LYS 50 HB2 LYS 50 4.701 14.068 0.708 364 HB3 LYS 50 HB3 LYS 50 5.478 13.010 -0.452 365 HG2 LYS 50 HG2 LYS 50 5.456 14.774 -2.165 366 HG3 LYS 50 HG3 LYS 50 4.505 15.823 -1.133 367 HD2 LYS 50 HD2 LYS 50 6.310 16.215 0.362 368 HD3 LYS 50 HD3 LYS 50 7.171 14.774 -0.141 369 HE2 LYS 50 HE2 LYS 50 7.061 16.141 -2.530 370 HE3 LYS 50 HE3 LYS 50 7.104 17.482 -1.403 371 HZ1 LYS 50 HZ1 LYS 50 8.953 15.528 -0.628 372 HZ2 LYS 50 HZ2 LYS 50 9.209 15.920 -2.192 373 HZ3 LYS 50 HZ3 LYS 50 9.225 17.083 -1.046 374 H ARG 51 H ARG 51 5.474 12.845 -2.316 375 HA ARG 51 HA ARG 51 4.545 13.028 -4.807 376 HB2 ARG 51 HB2 ARG 51 6.386 10.730 -4.027 377 HB3 ARG 51 HB3 ARG 51 6.432 11.696 -5.489 378 HG2 ARG 51 HG2 ARG 51 6.716 13.619 -3.475 379 HG3 ARG 51 HG3 ARG 51 7.606 12.254 -2.830 380 HD2 ARG 51 HD2 ARG 51 8.027 13.511 -5.586 381 HD3 ARG 51 HD3 ARG 51 9.083 13.709 -4.202 382 HE ARG 51 HE ARG 51 8.660 10.900 -4.851 383 HH11 ARG 51 HH22 ARG 51 10.523 13.761 -5.705 384 HH12 ARG 51 HH21 ARG 51 11.848 12.858 -6.361 385 HH21 ARG 51 HH12 ARG 51 10.408 9.709 -5.716 386 HH22 ARG 51 HH11 ARG 51 11.782 10.538 -6.367 387 H ASP 52 H ASP 52 4.336 11.000 -6.431 388 HA ASP 52 HA ASP 52 2.319 9.288 -5.219 389 HB2 ASP 52 HB2 ASP 52 2.719 10.460 -7.970 390 HB3 ASP 52 HB3 ASP 52 1.900 8.915 -7.857 391 H VAL 53 H VAL 53 4.740 9.323 -7.957 392 HA VAL 53 HA VAL 53 4.945 6.634 -8.354 393 HB VAL 53 HB VAL 53 6.956 8.870 -8.579 394 HG11 VAL 53 HG11 VAL 53 8.496 7.191 -8.572 395 HG12 VAL 53 HG12 VAL 53 7.308 5.945 -9.024 396 HG13 VAL 53 HG13 VAL 53 7.968 7.037 -10.265 397 HG21 VAL 53 HG21 VAL 53 4.697 8.308 -10.054 398 HG22 VAL 53 HG22 VAL 53 6.094 9.255 -10.619 399 HG23 VAL 53 HG23 VAL 53 5.981 7.520 -11.002 400 H LYS 54 H LYS 54 6.044 8.560 -5.624 401 HA LYS 54 HA LYS 54 8.005 6.730 -4.717 402 HB2 LYS 54 HB2 LYS 54 7.973 9.121 -4.116 403 HB3 LYS 54 HB3 LYS 54 6.477 8.890 -3.233 404 HG2 LYS 54 HG2 LYS 54 7.669 8.278 -1.407 405 HG3 LYS 54 HG3 LYS 54 8.258 6.875 -2.277 406 HD2 LYS 54 HD2 LYS 54 9.915 8.730 -3.356 407 HD3 LYS 54 HD3 LYS 54 9.589 9.536 -1.835 408 HE2 LYS 54 HE2 LYS 54 10.435 7.672 -0.547 409 HE3 LYS 54 HE3 LYS 54 10.435 6.611 -1.941 410 HZ1 LYS 54 HZ1 LYS 54 12.598 7.722 -1.214 411 HZ2 LYS 54 HZ2 LYS 54 12.262 7.654 -2.811 412 HZ3 LYS 54 HZ3 LYS 54 12.037 9.046 -1.988 413 H VAL 55 H VAL 55 4.479 7.159 -4.207 414 HA VAL 55 HA VAL 55 4.406 5.099 -2.211 415 HB VAL 55 HB VAL 55 2.901 7.228 -2.626 416 HG11 VAL 55 HG11 VAL 55 2.206 5.936 -4.889 417 HG12 VAL 55 HG12 VAL 55 0.964 5.293 -3.789 418 HG13 VAL 55 HG13 VAL 55 1.119 7.050 -4.026 419 HG21 VAL 55 HG21 VAL 55 1.273 4.892 -1.766 420 HG22 VAL 55 HG22 VAL 55 2.815 5.145 -0.914 421 HG23 VAL 55 HG23 VAL 55 1.592 6.438 -0.943 422 H SER 56 H SER 56 4.169 5.382 -5.724 423 HA SER 56 HA SER 56 2.743 3.039 -6.167 424 HB2 SER 56 HB2 SER 56 3.711 5.089 -7.729 425 HB3 SER 56 HB3 SER 56 4.803 3.796 -8.183 426 HG SER 56 HG SER 56 2.570 4.114 -9.323 427 H LEU 57 H LEU 57 6.310 3.750 -6.208 428 HA LEU 57 HA LEU 57 7.014 1.041 -6.626 429 HB2 LEU 57 HB2 LEU 57 8.261 3.514 -6.742 430 HB3 LEU 57 HB3 LEU 57 9.041 2.729 -5.383 431 HG LEU 57 HG LEU 57 8.789 0.981 -7.730 432 HD11 LEU 57 HD11 LEU 57 9.042 3.171 -8.865 433 HD12 LEU 57 HD12 LEU 57 10.563 3.425 -7.976 434 HD13 LEU 57 HD13 LEU 57 10.420 2.076 -9.128 435 HD21 LEU 57 HD21 LEU 57 11.450 1.188 -7.095 436 HD22 LEU 57 HD22 LEU 57 10.660 1.560 -5.544 437 HD23 LEU 57 HD23 LEU 57 10.300 0.032 -6.381 438 H PHE 58 H PHE 58 6.971 3.213 -3.724 439 HA PHE 58 HA PHE 58 7.944 1.387 -1.912 440 HB2 PHE 58 HB2 PHE 58 7.480 3.860 -1.587 441 HB3 PHE 58 HB3 PHE 58 5.758 3.541 -1.663 442 HD1 PHE 58 HD2 PHE 58 4.633 2.357 0.188 443 HD2 PHE 58 HD1 PHE 58 8.734 3.424 0.414 444 HE1 PHE 58 HE2 PHE 58 4.587 2.008 2.673 445 HE2 PHE 58 HE1 PHE 58 8.688 3.075 2.899 446 HZ PHE 58 HZ PHE 58 6.615 2.371 3.999 447 H THR 59 H THR 59 4.731 1.643 -3.412 448 HA THR 59 HA THR 59 3.456 -0.056 -1.489 449 HB THR 59 HB THR 59 2.752 1.155 -4.197 450 HG1 THR 59 HG1 THR 59 1.656 2.508 -2.765 451 HG21 THR 59 HG21 THR 59 1.596 -1.128 -3.859 452 HG22 THR 59 HG22 THR 59 0.877 -0.440 -2.384 453 HG23 THR 59 HG23 THR 59 0.501 0.271 -3.972 454 H ALA 60 H ALA 60 4.570 -0.489 -4.913 455 HA ALA 60 HA ALA 60 3.883 -3.138 -5.148 456 HB1 ALA 60 HB1 ALA 60 5.772 -1.235 -6.421 457 HB2 ALA 60 HB2 ALA 60 6.172 -2.956 -6.635 458 HB3 ALA 60 HB3 ALA 60 4.587 -2.339 -7.159 459 H PHE 61 H PHE 61 6.899 -1.650 -3.811 460 HA PHE 61 HA PHE 61 8.207 -4.074 -3.350 461 HB2 PHE 61 HB2 PHE 61 8.347 -1.179 -2.636 462 HB3 PHE 61 HB3 PHE 61 9.014 -2.204 -1.381 463 HD1 PHE 61 HD1 PHE 61 10.607 -4.151 -2.399 464 HD2 PHE 61 HD2 PHE 61 9.835 -0.386 -4.197 465 HE1 PHE 61 HE1 PHE 61 12.758 -4.323 -3.681 466 HE2 PHE 61 HE2 PHE 61 11.986 -0.558 -5.480 467 HZ PHE 61 HZ PHE 61 13.421 -2.524 -5.206 468 H PHE 62 H PHE 62 6.145 -1.994 -1.212 469 HA PHE 62 HA PHE 62 6.456 -3.565 1.070 470 HB2 PHE 62 HB2 PHE 62 5.558 -1.268 1.097 471 HB3 PHE 62 HB3 PHE 62 4.293 -1.691 -0.040 472 HD1 PHE 62 HD1 PHE 62 5.416 -2.039 3.448 473 HD2 PHE 62 HD2 PHE 62 2.251 -2.696 0.699 474 HE1 PHE 62 HE1 PHE 62 3.853 -2.499 5.358 475 HE2 PHE 62 HE2 PHE 62 0.688 -3.155 2.608 476 HZ PHE 62 HZ PHE 62 1.507 -3.052 4.915 477 H LEU 63 H LEU 63 3.406 -3.265 -0.882 478 HA LEU 63 HA LEU 63 2.080 -5.376 0.118 479 HB2 LEU 63 HB2 LEU 63 1.851 -3.658 -2.070 480 HB3 LEU 63 HB3 LEU 63 1.775 -5.265 -2.765 481 HG LEU 63 HG LEU 63 -0.032 -5.802 -1.061 482 HD11 LEU 63 HD11 LEU 63 0.615 -3.810 0.404 483 HD12 LEU 63 HD12 LEU 63 -0.298 -2.812 -0.753 484 HD13 LEU 63 HD13 LEU 63 -1.120 -4.110 0.145 485 HD21 LEU 63 HD21 LEU 63 -0.855 -5.569 -3.195 486 HD22 LEU 63 HD22 LEU 63 -1.739 -4.278 -2.345 487 HD23 LEU 63 HD23 LEU 63 -0.318 -3.878 -3.341 488 H ALA 64 H ALA 64 4.639 -5.462 -2.423 489 HA ALA 64 HA ALA 64 4.427 -8.138 -3.074 490 HB1 ALA 64 HB1 ALA 64 5.773 -6.699 -4.412 491 HB2 ALA 64 HB2 ALA 64 6.744 -6.179 -3.014 492 HB3 ALA 64 HB3 ALA 64 6.911 -7.834 -3.647 493 H THR 65 H THR 65 6.383 -6.518 -0.486 494 HA THR 65 HA THR 65 7.503 -8.917 0.483 495 HB THR 65 HB THR 65 7.140 -6.068 1.486 496 HG1 THR 65 HG1 THR 65 9.246 -6.082 0.728 497 HG21 THR 65 HG21 THR 65 9.087 -7.249 3.102 498 HG22 THR 65 HG22 THR 65 7.443 -6.828 3.637 499 HG23 THR 65 HG23 THR 65 7.802 -8.481 3.085 500 H ILE 66 H ILE 66 4.763 -6.908 1.762 501 HA ILE 66 HA ILE 66 4.062 -8.456 3.860 502 HB ILE 66 HB ILE 66 2.346 -6.938 1.901 503 HG12 ILE 66 HG12 ILE 66 4.173 -5.846 3.412 504 HG13 ILE 66 HG13 ILE 66 2.589 -5.108 3.273 505 HG21 ILE 66 HG21 ILE 66 1.531 -8.086 4.586 506 HG22 ILE 66 HG22 ILE 66 0.557 -7.002 3.564 507 HG23 ILE 66 HG23 ILE 66 0.964 -8.637 2.991 508 HD11 ILE 66 HD11 ILE 66 3.461 -5.303 5.652 509 HD12 ILE 66 HD12 ILE 66 1.864 -6.046 5.391 510 HD13 ILE 66 HD13 ILE 66 3.317 -7.070 5.492 511 H MET 67 H MET 67 2.875 -8.882 0.451 512 HA MET 67 HA MET 67 1.419 -11.155 0.987 513 HB2 MET 67 HB2 MET 67 2.274 -9.586 -1.288 514 HB3 MET 67 HB3 MET 67 2.599 -11.264 -1.676 515 HG2 MET 67 HG2 MET 67 0.395 -11.394 -2.257 516 HG3 MET 67 HG3 MET 67 0.064 -11.428 -0.537 517 HE1 MET 67 HE1 MET 67 -1.756 -10.504 -0.021 518 HE2 MET 67 HE2 MET 67 -1.141 -9.030 0.764 519 HE3 MET 67 HE3 MET 67 -2.447 -8.919 -0.440 520 H GLY 68 H GLY 68 4.757 -10.882 -0.444 521 HA2 GLY 68 HA2 GLY 68 6.550 -12.241 -0.177 522 HA3 GLY 68 HA3 GLY 68 5.661 -13.187 1.001 523 H VAL 69 H VAL 69 4.324 -12.504 -2.234 524 HA VAL 69 HA VAL 69 3.552 -14.991 -2.853 525 HB VAL 69 HB VAL 69 4.590 -12.742 -4.559 526 HG11 VAL 69 HG11 VAL 69 4.931 -14.257 -6.200 527 HG12 VAL 69 HG12 VAL 69 3.972 -15.515 -5.384 528 HG13 VAL 69 HG13 VAL 69 3.156 -14.245 -6.327 529 HG21 VAL 69 HG21 VAL 69 2.490 -12.350 -3.385 530 HG22 VAL 69 HG22 VAL 69 2.195 -12.506 -5.133 531 HG23 VAL 69 HG23 VAL 69 1.813 -13.860 -4.042 532 H ARG 70 H ARG 70 6.756 -13.587 -3.858 533 HA ARG 70 HA ARG 70 7.980 -16.084 -3.309 534 HB2 ARG 70 HB2 ARG 70 6.901 -15.972 -5.819 535 HB3 ARG 70 HB3 ARG 70 8.448 -15.217 -6.150 536 HG2 ARG 70 HG2 ARG 70 9.344 -17.298 -6.274 537 HG3 ARG 70 HG3 ARG 70 9.120 -17.429 -4.541 538 HD2 ARG 70 HD2 ARG 70 6.568 -18.006 -5.444 539 HD3 ARG 70 HD3 ARG 70 7.538 -18.655 -6.750 540 HE ARG 70 HE ARG 70 7.335 -19.726 -4.059 541 HH11 ARG 70 HH22 ARG 70 9.520 -19.408 -6.799 542 HH12 ARG 70 HH21 ARG 70 10.447 -20.811 -6.386 543 HH21 ARG 70 HH12 ARG 70 8.559 -21.577 -3.513 544 HH22 ARG 70 HH11 ARG 70 9.897 -22.053 -4.504 545 H PHE 71 H PHE 71 10.243 -15.807 -2.989 546 HA PHE 71 HA PHE 71 11.103 -13.042 -3.034 547 HB2 PHE 71 HB2 PHE 71 11.398 -14.572 -1.039 548 HB3 PHE 71 HB3 PHE 71 12.320 -15.685 -2.030 549 HD1 PHE 71 HD2 PHE 71 12.375 -12.077 -1.056 550 HD2 PHE 71 HD1 PHE 71 14.616 -15.584 -1.887 551 HE1 PHE 71 HE2 PHE 71 14.490 -10.871 -0.444 552 HE2 PHE 71 HE1 PHE 71 16.730 -14.378 -1.275 553 HZ PHE 71 HZ PHE 71 16.642 -12.036 -0.561 554 H LYS 72 H LYS 72 11.293 -12.830 -5.395 555 HA LYS 72 HA LYS 72 13.919 -13.363 -6.260 556 HB2 LYS 72 HB2 LYS 72 12.406 -15.601 -6.532 557 HB3 LYS 72 HB3 LYS 72 12.064 -14.818 -8.062 558 HG2 LYS 72 HG2 LYS 72 14.184 -15.161 -8.855 559 HG3 LYS 72 HG3 LYS 72 14.930 -14.699 -7.339 560 HD2 LYS 72 HD2 LYS 72 14.130 -16.989 -6.418 561 HD3 LYS 72 HD3 LYS 72 13.766 -17.415 -8.079 562 HE2 LYS 72 HE2 LYS 72 15.941 -18.141 -8.129 563 HE3 LYS 72 HE3 LYS 72 16.318 -16.450 -8.389 564 HZ1 LYS 72 HZ1 LYS 72 17.173 -17.946 -6.324 565 HZ2 LYS 72 HZ2 LYS 72 17.209 -16.315 -6.384 566 HZ3 LYS 72 HZ3 LYS 72 15.970 -17.077 -5.643 567 H ARG 73 H ARG 73 14.208 -11.309 -6.981 568 HA ARG 73 HA ARG 73 12.075 -9.886 -8.129 569 HB2 ARG 73 HB2 ARG 73 13.863 -8.147 -8.578 570 HB3 ARG 73 HB3 ARG 73 13.815 -8.683 -6.910 571 HG2 ARG 73 HG2 ARG 73 15.808 -9.919 -7.096 572 HG3 ARG 73 HG3 ARG 73 15.632 -10.151 -8.824 573 HD2 ARG 73 HD2 ARG 73 15.930 -7.533 -8.974 574 HD3 ARG 73 HD3 ARG 73 16.567 -7.666 -7.347 575 HE ARG 73 HE ARG 73 18.498 -8.687 -8.202 576 HH11 ARG 73 HH22 ARG 73 15.975 -8.731 -10.655 577 HH12 ARG 73 HH21 ARG 73 17.025 -9.302 -11.908 578 HH21 ARG 73 HH12 ARG 73 19.884 -9.440 -9.855 579 HH22 ARG 73 HH11 ARG 73 19.264 -9.708 -11.450 580 H SER 74 H SER 74 11.873 -11.940 -9.733 581 HA SER 74 HA SER 74 12.882 -10.964 -12.226 582 HB2 SER 74 HB2 SER 74 14.735 -12.386 -11.793 583 HB3 SER 74 HB3 SER 74 13.739 -13.620 -11.048 584 HG SER 74 HG SER 74 14.321 -13.175 -13.760 585 H LYS 75 H LYS 75 11.465 -13.991 -10.763 586 HA LYS 75 HA LYS 75 9.796 -14.634 -12.830 587 HB2 LYS 75 HB2 LYS 75 10.385 -15.892 -10.648 588 HB3 LYS 75 HB3 LYS 75 9.032 -15.035 -9.938 589 HG2 LYS 75 HG2 LYS 75 7.595 -16.518 -10.869 590 HG3 LYS 75 HG3 LYS 75 8.128 -16.040 -12.468 591 HD2 LYS 75 HD2 LYS 75 9.440 -17.901 -12.728 592 HD3 LYS 75 HD3 LYS 75 10.061 -17.813 -11.092 593 HE2 LYS 75 HE2 LYS 75 7.983 -18.828 -10.207 594 HE3 LYS 75 HE3 LYS 75 7.265 -18.821 -11.806 595 HZ1 LYS 75 HZ1 LYS 75 9.683 -20.306 -11.039 596 HZ2 LYS 75 HZ2 LYS 75 8.203 -20.951 -11.282 597 HZ3 LYS 75 HZ3 LYS 75 9.022 -20.295 -12.533 598 H LYS 76 H LYS 76 8.567 -13.087 -9.784 599 HA LYS 76 HA LYS 76 6.687 -11.905 -9.503 600 HB2 LYS 76 HB2 LYS 76 6.859 -9.656 -10.430 601 HB3 LYS 76 HB3 LYS 76 8.417 -10.219 -9.860 602 HG2 LYS 76 HG2 LYS 76 9.262 -10.532 -12.050 603 HG3 LYS 76 HG3 LYS 76 7.665 -10.665 -12.759 604 HD2 LYS 76 HD2 LYS 76 7.338 -8.355 -12.826 605 HD3 LYS 76 HD3 LYS 76 8.338 -8.059 -11.418 606 HE2 LYS 76 HE2 LYS 76 9.809 -9.197 -13.747 607 HE3 LYS 76 HE3 LYS 76 9.129 -7.607 -14.031 608 HZ1 LYS 76 HZ1 LYS 76 11.428 -8.025 -12.805 609 HZ2 LYS 76 HZ2 LYS 76 10.517 -6.691 -12.564 610 HZ3 LYS 76 HZ3 LYS 76 10.448 -7.930 -11.502 611 H ILE 77 H ILE 77 5.855 -14.048 -10.837 612 HA ILE 77 HA ILE 77 4.550 -13.183 -13.281 613 HB ILE 77 HB ILE 77 5.716 -15.347 -13.157 614 HG12 ILE 77 HG12 ILE 77 2.803 -15.969 -13.529 615 HG13 ILE 77 HG13 ILE 77 3.558 -14.768 -14.558 616 HG21 ILE 77 HG21 ILE 77 5.294 -15.916 -10.831 617 HG22 ILE 77 HG22 ILE 77 3.553 -16.082 -11.164 618 HG23 ILE 77 HG23 ILE 77 4.713 -17.211 -11.906 619 HD11 ILE 77 HD11 ILE 77 5.401 -16.494 -15.036 620 HD12 ILE 77 HD12 ILE 77 4.360 -17.687 -14.222 621 HD13 ILE 77 HD13 ILE 77 3.793 -16.872 -15.699 622 H MET 78 H MET 78 3.826 -14.113 -9.890 623 HA MET 78 HA MET 78 1.024 -13.927 -10.341 624 HB2 MET 78 HB2 MET 78 2.880 -14.777 -8.237 625 HB3 MET 78 HB3 MET 78 1.650 -13.740 -7.542 626 HG2 MET 78 HG2 MET 78 0.110 -15.405 -7.664 627 HG3 MET 78 HG3 MET 78 0.364 -15.566 -9.390 628 HE1 MET 78 HE1 MET 78 0.603 -19.102 -7.539 629 HE2 MET 78 HE2 MET 78 -0.508 -17.713 -7.606 630 HE3 MET 78 HE3 MET 78 0.042 -18.485 -9.112 631 HA PRO 79 HA PRO 79 1.734 -9.867 -7.988 632 HB2 PRO 79 HB2 PRO 79 4.276 -8.956 -7.569 633 HB3 PRO 79 HB3 PRO 79 3.375 -9.866 -6.373 634 HG2 PRO 79 HG2 PRO 79 5.601 -10.767 -8.097 635 HG3 PRO 79 HG3 PRO 79 4.981 -11.501 -6.632 636 HD2 PRO 79 HD2 PRO 79 4.513 -12.379 -9.322 637 HD3 PRO 79 HD3 PRO 79 3.801 -13.042 -7.864 638 H ALA 80 H ALA 80 1.126 -10.084 -10.506 639 HA ALA 80 HA ALA 80 2.889 -8.348 -12.012 640 HB1 ALA 80 HB1 ALA 80 1.841 -10.429 -12.962 641 HB2 ALA 80 HB2 ALA 80 0.251 -9.645 -12.802 642 HB3 ALA 80 HB3 ALA 80 1.479 -8.954 -13.889 643 H GLY 81 H GLY 81 -0.410 -8.383 -10.560 644 HA2 GLY 81 HA2 GLY 81 -1.249 -5.896 -11.578 645 HA3 GLY 81 HA3 GLY 81 -1.888 -6.732 -10.177 646 H LEU 82 H LEU 82 0.902 -6.830 -8.905 647 HA LEU 82 HA LEU 82 0.644 -4.522 -7.361 648 HB2 LEU 82 HB2 LEU 82 2.160 -6.906 -7.376 649 HB3 LEU 82 HB3 LEU 82 3.311 -5.587 -7.289 650 HG LEU 82 HG LEU 82 1.111 -6.290 -5.351 651 HD11 LEU 82 HD11 LEU 82 3.683 -5.578 -4.234 652 HD12 LEU 82 HD12 LEU 82 2.751 -7.087 -4.084 653 HD13 LEU 82 HD13 LEU 82 3.852 -6.854 -5.463 654 HD21 LEU 82 HD21 LEU 82 2.132 -3.619 -5.987 655 HD22 LEU 82 HD22 LEU 82 0.699 -4.115 -5.055 656 HD23 LEU 82 HD23 LEU 82 2.295 -4.055 -4.269 657 H VAL 83 H VAL 83 3.516 -5.324 -9.429 658 HA VAL 83 HA VAL 83 4.369 -2.677 -9.560 659 HB VAL 83 HB VAL 83 4.887 -5.084 -11.311 660 HG11 VAL 83 HG11 VAL 83 6.564 -2.563 -11.225 661 HG12 VAL 83 HG12 VAL 83 6.700 -3.944 -12.339 662 HG13 VAL 83 HG13 VAL 83 5.303 -2.846 -12.449 663 HG21 VAL 83 HG21 VAL 83 7.193 -4.503 -9.918 664 HG22 VAL 83 HG22 VAL 83 5.921 -4.117 -8.734 665 HG23 VAL 83 HG23 VAL 83 5.993 -5.738 -9.467 666 H ALA 84 H ALA 84 2.608 -4.693 -12.021 667 HA ALA 84 HA ALA 84 2.324 -2.804 -13.960 668 HB1 ALA 84 HB1 ALA 84 1.648 -5.250 -13.980 669 HB2 ALA 84 HB2 ALA 84 0.169 -4.774 -13.112 670 HB3 ALA 84 HB3 ALA 84 0.485 -4.142 -14.745 671 H GLY 85 H GLY 85 0.702 -3.043 -10.806 672 HA2 GLY 85 HA2 GLY 85 -1.399 -1.208 -11.399 673 HA3 GLY 85 HA3 GLY 85 -0.883 -1.770 -9.822 674 H LEU 86 H LEU 86 1.778 -0.967 -9.646 675 HA LEU 86 HA LEU 86 1.557 1.674 -8.901 676 HB2 LEU 86 HB2 LEU 86 3.667 1.450 -8.182 677 HB3 LEU 86 HB3 LEU 86 3.323 -0.247 -8.452 678 HG LEU 86 HG LEU 86 4.381 0.023 -10.753 679 HD11 LEU 86 HD11 LEU 86 6.142 2.151 -10.183 680 HD12 LEU 86 HD12 LEU 86 4.905 2.058 -11.460 681 HD13 LEU 86 HD13 LEU 86 4.498 2.761 -9.876 682 HD21 LEU 86 HD21 LEU 86 5.496 -1.123 -8.913 683 HD22 LEU 86 HD22 LEU 86 6.663 -0.191 -9.882 684 HD23 LEU 86 HD23 LEU 86 6.120 0.429 -8.304 685 H SER 87 H SER 87 2.796 0.236 -11.976 686 HA SER 87 HA SER 87 3.599 2.641 -13.075 687 HB2 SER 87 HB2 SER 87 2.769 -0.031 -14.243 688 HB3 SER 87 HB3 SER 87 3.174 1.305 -15.301 689 HG SER 87 HG SER 87 4.844 -0.195 -13.551 690 H LEU 88 H LEU 88 0.566 0.708 -13.669 691 HA LEU 88 HA LEU 88 -0.685 2.536 -15.299 692 HB2 LEU 88 HB2 LEU 88 -1.306 0.115 -13.937 693 HB3 LEU 88 HB3 LEU 88 -2.617 1.242 -13.646 694 HG LEU 88 HG LEU 88 -2.113 1.485 -16.384 695 HD11 LEU 88 HD11 LEU 88 -2.511 -1.415 -16.177 696 HD12 LEU 88 HD12 LEU 88 -1.514 -0.463 -17.304 697 HD13 LEU 88 HD13 LEU 88 -0.888 -0.871 -15.688 698 HD21 LEU 88 HD21 LEU 88 -4.231 -0.406 -15.501 699 HD22 LEU 88 HD22 LEU 88 -4.266 1.236 -14.813 700 HD23 LEU 88 HD23 LEU 88 -4.321 1.009 -16.578 701 H MET 89 H MET 89 0.038 2.706 -11.886 702 HA MET 89 HA MET 89 -2.049 4.498 -11.250 703 HB2 MET 89 HB2 MET 89 -0.448 2.937 -9.760 704 HB3 MET 89 HB3 MET 89 0.593 4.347 -9.749 705 HG2 MET 89 HG2 MET 89 -2.166 5.140 -9.190 706 HG3 MET 89 HG3 MET 89 -1.675 3.866 -8.092 707 HE1 MET 89 HE1 MET 89 0.393 7.025 -9.745 708 HE2 MET 89 HE2 MET 89 -1.331 7.300 -9.397 709 HE3 MET 89 HE3 MET 89 -0.085 8.113 -8.420 710 H MET 90 H MET 90 1.559 4.988 -11.422 711 HA MET 90 HA MET 90 1.537 7.684 -11.243 712 HB2 MET 90 HB2 MET 90 3.733 7.504 -12.586 713 HB3 MET 90 HB3 MET 90 3.626 6.440 -11.197 714 HG2 MET 90 HG2 MET 90 3.133 4.517 -12.570 715 HG3 MET 90 HG3 MET 90 2.777 5.508 -13.971 716 HE1 MET 90 HE1 MET 90 5.739 3.137 -12.917 717 HE2 MET 90 HE2 MET 90 6.732 4.379 -12.116 718 HE3 MET 90 HE3 MET 90 5.063 4.084 -11.569 719 H ILE 91 H ILE 91 0.812 5.639 -14.078 720 HA ILE 91 HA ILE 91 0.830 7.893 -15.869 721 HB ILE 91 HB ILE 91 1.510 5.500 -16.401 722 HG12 ILE 91 HG12 ILE 91 -0.408 6.169 -18.507 723 HG13 ILE 91 HG13 ILE 91 0.494 7.567 -17.959 724 HG21 ILE 91 HG21 ILE 91 -0.591 4.534 -15.345 725 HG22 ILE 91 HG22 ILE 91 -1.452 5.069 -16.808 726 HG23 ILE 91 HG23 ILE 91 -0.126 3.889 -16.937 727 HD11 ILE 91 HD11 ILE 91 1.970 6.735 -19.554 728 HD12 ILE 91 HD12 ILE 91 2.571 5.884 -18.111 729 HD13 ILE 91 HD13 ILE 91 1.500 5.044 -19.258 730 H LEU 92 H LEU 92 -1.467 6.042 -13.885 731 HA LEU 92 HA LEU 92 -3.793 6.959 -15.182 732 HB2 LEU 92 HB2 LEU 92 -4.086 5.055 -13.931 733 HB3 LEU 92 HB3 LEU 92 -3.130 5.645 -12.585 734 HG LEU 92 HG LEU 92 -5.749 6.970 -13.227 735 HD11 LEU 92 HD11 LEU 92 -5.834 4.327 -13.049 736 HD12 LEU 92 HD12 LEU 92 -5.751 4.684 -11.307 737 HD13 LEU 92 HD13 LEU 92 -7.070 5.361 -12.293 738 HD21 LEU 92 HD21 LEU 92 -5.646 7.823 -11.116 739 HD22 LEU 92 HD22 LEU 92 -4.755 6.426 -10.467 740 HD23 LEU 92 HD23 LEU 92 -3.905 7.649 -11.443 741 H ARG 93 H ARG 93 -1.514 8.405 -12.928 742 HA ARG 93 HA ARG 93 -3.422 10.452 -12.255 743 HB2 ARG 93 HB2 ARG 93 -0.851 9.457 -11.162 744 HB3 ARG 93 HB3 ARG 93 -0.950 11.206 -11.165 745 HG2 ARG 93 HG2 ARG 93 -3.212 9.477 -10.082 746 HG3 ARG 93 HG3 ARG 93 -1.864 9.966 -9.075 747 HD2 ARG 93 HD2 ARG 93 -2.388 12.321 -9.350 748 HD3 ARG 93 HD3 ARG 93 -3.522 11.989 -10.645 749 HE ARG 93 HE ARG 93 -4.028 11.731 -7.774 750 HH11 ARG 93 HH22 ARG 93 -5.031 10.665 -10.974 751 HH12 ARG 93 HH21 ARG 93 -6.631 10.235 -10.469 752 HH21 ARG 93 HH12 ARG 93 -6.139 11.165 -7.107 753 HH22 ARG 93 HH11 ARG 93 -7.266 10.522 -8.255 754 H LEU 94 H LEU 94 -0.251 9.993 -13.935 755 HA LEU 94 HA LEU 94 0.132 12.691 -14.584 756 HB2 LEU 94 HB2 LEU 94 1.796 10.775 -14.572 757 HB3 LEU 94 HB3 LEU 94 1.137 10.304 -16.126 758 HG LEU 94 HG LEU 94 1.850 13.128 -16.090 759 HD11 LEU 94 HD11 LEU 94 3.699 13.023 -14.837 760 HD12 LEU 94 HD12 LEU 94 3.737 11.243 -14.865 761 HD13 LEU 94 HD13 LEU 94 4.416 12.170 -16.225 762 HD21 LEU 94 HD21 LEU 94 2.826 12.642 -18.181 763 HD22 LEU 94 HD22 LEU 94 3.014 10.916 -17.786 764 HD23 LEU 94 HD23 LEU 94 1.392 11.595 -18.065 765 H VAL 95 H VAL 95 -2.218 10.420 -15.625 766 HA VAL 95 HA VAL 95 -2.538 10.915 -18.285 767 HB VAL 95 HB VAL 95 -4.343 10.255 -16.007 768 HG11 VAL 95 HG11 VAL 95 -5.959 11.530 -17.040 769 HG12 VAL 95 HG12 VAL 95 -5.247 11.324 -18.659 770 HG13 VAL 95 HG13 VAL 95 -6.160 9.991 -17.912 771 HG21 VAL 95 HG21 VAL 95 -4.035 8.173 -16.754 772 HG22 VAL 95 HG22 VAL 95 -4.548 8.624 -18.398 773 HG23 VAL 95 HG23 VAL 95 -2.848 8.828 -17.908 774 H LEU 96 H LEU 96 -3.827 12.851 -15.502 775 HA LEU 96 HA LEU 96 -4.547 14.936 -17.415 776 HB2 LEU 96 HB2 LEU 96 -5.682 15.923 -15.393 777 HB3 LEU 96 HB3 LEU 96 -6.351 14.439 -16.041 778 HG LEU 96 HG LEU 96 -4.397 14.301 -13.763 779 HD11 LEU 96 HD11 LEU 96 -5.717 15.701 -12.590 780 HD12 LEU 96 HD12 LEU 96 -7.112 15.476 -13.672 781 HD13 LEU 96 HD13 LEU 96 -6.747 14.258 -12.427 782 HD21 LEU 96 HD21 LEU 96 -6.518 12.495 -13.440 783 HD22 LEU 96 HD22 LEU 96 -6.142 12.484 -15.180 784 HD23 LEU 96 HD23 LEU 96 -4.862 12.143 -13.991 785 H LEU 97 H LEU 97 -1.726 14.158 -16.604 786 HA LEU 97 HA LEU 97 0.110 15.073 -15.677 787 HB2 LEU 97 HB2 LEU 97 -0.493 16.131 -17.979 788 HB3 LEU 97 HB3 LEU 97 -0.779 17.588 -17.047 789 HG LEU 97 HG LEU 97 1.813 16.206 -16.572 790 HD11 LEU 97 HD11 LEU 97 0.938 16.923 -19.244 791 HD12 LEU 97 HD12 LEU 97 2.368 17.861 -18.749 792 HD13 LEU 97 HD13 LEU 97 2.412 16.082 -18.708 793 HD21 LEU 97 HD21 LEU 97 2.156 18.945 -17.086 794 HD22 LEU 97 HD22 LEU 97 0.629 18.811 -16.182 795 HD23 LEU 97 HD23 LEU 97 2.126 18.127 -15.505 796 H LEU 98 H LEU 98 -1.708 14.961 -13.649 797 HA LEU 98 HA LEU 98 -1.765 17.645 -12.496 798 HB2 LEU 98 HB2 LEU 98 -3.626 17.057 -11.419 799 HB3 LEU 98 HB3 LEU 98 -3.731 15.844 -12.679 800 HG LEU 98 HG LEU 98 -2.405 14.339 -10.998 801 HD11 LEU 98 HD11 LEU 98 -2.951 16.720 -9.396 802 HD12 LEU 98 HD12 LEU 98 -3.559 15.224 -8.647 803 HD13 LEU 98 HD13 LEU 98 -1.842 15.360 -9.098 804 HD21 LEU 98 HD21 LEU 98 -4.611 13.775 -11.718 805 HD22 LEU 98 HD22 LEU 98 -4.570 13.643 -9.944 806 HD23 LEU 98 HD23 LEU 98 -5.332 15.055 -10.713 807 H LEU 99 H LEU 99 -0.616 14.275 -11.911 808 HA LEU 99 HA LEU 99 0.450 14.603 -9.418 809 HB2 LEU 99 HB2 LEU 99 1.126 12.534 -9.762 810 HB3 LEU 99 HB3 LEU 99 0.410 12.657 -11.357 811 HG LEU 99 HG LEU 99 2.739 13.600 -12.070 812 HD11 LEU 99 HD11 LEU 99 3.549 12.057 -9.591 813 HD12 LEU 99 HD12 LEU 99 4.626 12.818 -10.787 814 HD13 LEU 99 HD13 LEU 99 3.589 13.830 -9.753 815 HD21 LEU 99 HD21 LEU 99 3.412 11.451 -12.764 816 HD22 LEU 99 HD22 LEU 99 2.614 10.661 -11.383 817 HD23 LEU 99 HD23 LEU 99 1.635 11.392 -12.678 Start of MODEL 14 1 H MET 1 H1 MET 1 -38.858 0.981 -6.254 2 HA MET 1 HA MET 1 -39.328 -0.414 -8.142 3 HB2 MET 1 HB2 MET 1 -40.578 0.645 -10.068 4 HB3 MET 1 HB3 MET 1 -41.573 0.509 -8.632 5 HG2 MET 1 HG2 MET 1 -41.117 2.887 -8.059 6 HG3 MET 1 HG3 MET 1 -40.049 3.035 -9.441 7 HE1 MET 1 HE1 MET 1 -42.857 5.213 -9.821 8 HE2 MET 1 HE2 MET 1 -41.103 4.937 -9.951 9 HE3 MET 1 HE3 MET 1 -42.121 4.891 -11.410 10 H ASP 2 H ASP 2 -37.851 -0.426 -9.936 11 HA ASP 2 HA ASP 2 -35.686 1.253 -9.612 12 HB2 ASP 2 HB2 ASP 2 -36.605 -0.694 -11.730 13 HB3 ASP 2 HB3 ASP 2 -35.241 0.340 -12.103 14 H LEU 3 H LEU 3 -35.512 3.410 -10.236 15 HA LEU 3 HA LEU 3 -37.294 4.327 -12.371 16 HB2 LEU 3 HB2 LEU 3 -36.539 5.363 -9.810 17 HB3 LEU 3 HB3 LEU 3 -36.017 6.485 -11.050 18 HG LEU 3 HG LEU 3 -38.708 5.630 -11.624 19 HD11 LEU 3 HD11 LEU 3 -39.132 5.126 -9.373 20 HD12 LEU 3 HD12 LEU 3 -38.175 6.508 -8.787 21 HD13 LEU 3 HD13 LEU 3 -39.740 6.786 -9.588 22 HD21 LEU 3 HD21 LEU 3 -38.260 8.378 -10.661 23 HD22 LEU 3 HD22 LEU 3 -37.179 7.859 -11.977 24 HD23 LEU 3 HD23 LEU 3 -38.944 7.787 -12.194 25 H ILE 4 H ILE 4 -33.930 4.900 -11.109 26 HA ILE 4 HA ILE 4 -32.933 6.186 -13.290 27 HB ILE 4 HB ILE 4 -31.578 6.146 -11.439 28 HG12 ILE 4 HG12 ILE 4 -29.930 4.037 -12.634 29 HG13 ILE 4 HG13 ILE 4 -30.549 5.168 -13.821 30 HG21 ILE 4 HG21 ILE 4 -30.806 3.558 -10.798 31 HG22 ILE 4 HG22 ILE 4 -31.970 4.574 -9.914 32 HG23 ILE 4 HG23 ILE 4 -32.548 3.417 -11.137 33 HD11 ILE 4 HD11 ILE 4 -28.632 5.629 -11.576 34 HD12 ILE 4 HD12 ILE 4 -28.707 6.390 -13.183 35 HD13 ILE 4 HD13 ILE 4 -29.798 6.937 -11.887 36 H GLY 5 H GLY 5 -31.564 2.935 -12.891 37 HA2 GLY 5 HA2 GLY 5 -31.673 1.106 -14.266 38 HA3 GLY 5 HA3 GLY 5 -32.773 1.951 -15.337 39 H PHE 6 H PHE 6 -31.320 4.343 -15.865 40 HA PHE 6 HA PHE 6 -29.602 3.431 -17.880 41 HB2 PHE 6 HB2 PHE 6 -30.976 5.738 -17.192 42 HB3 PHE 6 HB3 PHE 6 -29.357 6.209 -16.717 43 HD1 PHE 6 HD2 PHE 6 -30.772 4.331 -19.628 44 HD2 PHE 6 HD1 PHE 6 -28.370 7.562 -18.287 45 HE1 PHE 6 HE2 PHE 6 -30.247 4.928 -22.009 46 HE2 PHE 6 HE1 PHE 6 -27.846 8.160 -20.668 47 HZ PHE 6 HZ PHE 6 -28.791 6.836 -22.500 48 H GLY 7 H GLY 7 -28.835 5.417 -14.923 49 HA2 GLY 7 HA2 GLY 7 -26.132 5.470 -15.064 50 HA3 GLY 7 HA3 GLY 7 -27.031 5.366 -13.564 51 H TYR 8 H TYR 8 -28.132 2.817 -13.581 52 HA TYR 8 HA TYR 8 -26.107 1.229 -12.673 53 HB2 TYR 8 HB2 TYR 8 -28.808 1.138 -12.784 54 HB3 TYR 8 HB3 TYR 8 -28.524 0.157 -14.209 55 HD1 TYR 8 HD1 TYR 8 -27.188 -1.997 -13.970 56 HD2 TYR 8 HD2 TYR 8 -28.625 0.216 -10.602 57 HE1 TYR 8 HE1 TYR 8 -26.906 -4.048 -12.494 58 HE2 TYR 8 HE2 TYR 8 -28.338 -1.842 -9.137 59 HH TYR 8 HH TYR 8 -27.613 -3.876 -9.018 60 H ALA 9 H ALA 9 -27.711 0.995 -15.932 61 HA ALA 9 HA ALA 9 -25.970 -0.978 -16.880 62 HB1 ALA 9 HB1 ALA 9 -26.948 -0.432 -19.057 63 HB2 ALA 9 HB2 ALA 9 -28.215 -0.427 -17.807 64 HB3 ALA 9 HB3 ALA 9 -27.563 1.112 -18.420 65 H ALA 10 H ALA 10 -25.568 2.439 -16.316 66 HA ALA 10 HA ALA 10 -23.643 2.949 -18.314 67 HB1 ALA 10 HB1 ALA 10 -23.528 4.443 -15.742 68 HB2 ALA 10 HB2 ALA 10 -23.648 5.046 -17.412 69 HB3 ALA 10 HB3 ALA 10 -25.101 4.450 -16.574 70 H LEU 11 H LEU 11 -23.253 2.482 -14.723 71 HA LEU 11 HA LEU 11 -20.493 2.241 -14.818 72 HB2 LEU 11 HB2 LEU 11 -20.618 1.634 -12.587 73 HB3 LEU 11 HB3 LEU 11 -22.014 2.662 -12.842 74 HG LEU 11 HG LEU 11 -23.234 0.333 -13.241 75 HD11 LEU 11 HD11 LEU 11 -20.880 -0.769 -12.879 76 HD12 LEU 11 HD12 LEU 11 -21.285 -0.578 -11.156 77 HD13 LEU 11 HD13 LEU 11 -22.350 -1.527 -12.221 78 HD21 LEU 11 HD21 LEU 11 -23.444 0.314 -10.580 79 HD22 LEU 11 HD22 LEU 11 -22.660 1.900 -10.777 80 HD23 LEU 11 HD23 LEU 11 -24.203 1.563 -11.597 81 H VAL 12 H VAL 12 -23.110 -0.198 -15.184 82 HA VAL 12 HA VAL 12 -21.539 -2.468 -15.079 83 HB VAL 12 HB VAL 12 -24.064 -1.802 -16.594 84 HG11 VAL 12 HG11 VAL 12 -24.316 -4.392 -16.545 85 HG12 VAL 12 HG12 VAL 12 -23.306 -3.644 -17.805 86 HG13 VAL 12 HG13 VAL 12 -22.544 -4.396 -16.383 87 HG21 VAL 12 HG21 VAL 12 -25.093 -2.085 -14.637 88 HG22 VAL 12 HG22 VAL 12 -24.373 -3.703 -14.459 89 HG23 VAL 12 HG23 VAL 12 -23.507 -2.272 -13.850 90 H THR 13 H THR 13 -22.409 -0.370 -17.904 91 HA THR 13 HA THR 13 -20.959 -1.887 -19.779 92 HB THR 13 HB THR 13 -21.992 0.986 -19.647 93 HG1 THR 13 HG1 THR 13 -22.634 -1.547 -20.986 94 HG21 THR 13 HG21 THR 13 -20.371 -0.434 -21.756 95 HG22 THR 13 HG22 THR 13 -21.792 0.487 -22.304 96 HG23 THR 13 HG23 THR 13 -20.490 1.308 -21.410 97 H PHE 14 H PHE 14 -20.019 0.663 -17.479 98 HA PHE 14 HA PHE 14 -17.564 1.268 -18.681 99 HB2 PHE 14 HB2 PHE 14 -19.112 2.187 -16.600 100 HB3 PHE 14 HB3 PHE 14 -17.959 1.246 -15.675 101 HD1 PHE 14 HD2 PHE 14 -18.066 3.875 -18.318 102 HD2 PHE 14 HD1 PHE 14 -15.975 2.238 -15.009 103 HE1 PHE 14 HE2 PHE 14 -16.442 5.787 -18.398 104 HE2 PHE 14 HE1 PHE 14 -14.351 4.149 -15.089 105 HZ PHE 14 HZ PHE 14 -14.604 5.902 -16.782 106 H GLY 15 H GLY 15 -18.409 -0.953 -15.927 107 HA2 GLY 15 HA2 GLY 15 -15.768 -1.912 -15.586 108 HA3 GLY 15 HA3 GLY 15 -17.246 -2.624 -14.968 109 H SER 16 H SER 16 -18.405 -2.695 -17.826 110 HA SER 16 HA SER 16 -17.577 -5.308 -18.368 111 HB2 SER 16 HB2 SER 16 -19.657 -3.529 -19.190 112 HB3 SER 16 HB3 SER 16 -18.861 -4.065 -20.657 113 HG SER 16 HG SER 16 -20.244 -5.606 -18.677 114 H ILE 17 H ILE 17 -17.158 -2.183 -20.191 115 HA ILE 17 HA ILE 17 -15.414 -3.334 -22.092 116 HB ILE 17 HB ILE 17 -15.940 -0.462 -21.320 117 HG12 ILE 17 HG12 ILE 17 -17.034 -2.003 -23.683 118 HG13 ILE 17 HG13 ILE 17 -17.879 -1.894 -22.151 119 HG21 ILE 17 HG21 ILE 17 -14.823 -1.304 -23.973 120 HG22 ILE 17 HG22 ILE 17 -14.734 0.267 -23.143 121 HG23 ILE 17 HG23 ILE 17 -13.736 -1.094 -22.580 122 HD11 ILE 17 HD11 ILE 17 -17.995 -0.029 -24.246 123 HD12 ILE 17 HD12 ILE 17 -18.581 0.222 -22.584 124 HD13 ILE 17 HD13 ILE 17 -16.941 0.745 -23.038 125 H PHE 18 H PHE 18 -14.839 -1.108 -19.276 126 HA PHE 18 HA PHE 18 -12.142 -0.950 -19.414 127 HB2 PHE 18 HB2 PHE 18 -13.820 0.105 -17.768 128 HB3 PHE 18 HB3 PHE 18 -13.883 -1.427 -16.921 129 HD1 PHE 18 HD1 PHE 18 -11.518 -2.354 -16.155 130 HD2 PHE 18 HD2 PHE 18 -12.355 1.719 -17.006 131 HE1 PHE 18 HE1 PHE 18 -9.558 -1.657 -14.750 132 HE2 PHE 18 HE2 PHE 18 -10.395 2.415 -15.601 133 HZ PHE 18 HZ PHE 18 -9.020 0.719 -14.489 134 H GLY 19 H GLY 19 -14.091 -3.573 -17.846 135 HA2 GLY 19 HA2 GLY 19 -12.148 -5.046 -16.642 136 HA3 GLY 19 HA3 GLY 19 -13.558 -5.724 -17.430 137 H TYR 20 H TYR 20 -13.331 -5.686 -20.027 138 HA TYR 20 HA TYR 20 -12.346 -6.651 -21.764 139 HB2 TYR 20 HB2 TYR 20 -10.701 -4.570 -20.727 140 HB3 TYR 20 HB3 TYR 20 -9.578 -5.898 -20.941 141 HD1 TYR 20 HD1 TYR 20 -12.321 -4.171 -22.841 142 HD2 TYR 20 HD2 TYR 20 -8.499 -6.086 -22.986 143 HE1 TYR 20 HE1 TYR 20 -12.132 -3.622 -25.316 144 HE2 TYR 20 HE2 TYR 20 -8.323 -5.531 -25.461 145 HH TYR 20 HH TYR 20 -10.010 -5.101 -27.332 146 H LYS 21 H LYS 21 -10.640 -8.281 -22.526 147 HA LYS 21 HA LYS 21 -10.699 -10.493 -20.869 148 HB2 LYS 21 HB2 LYS 21 -10.127 -10.028 -23.486 149 HB3 LYS 21 HB3 LYS 21 -8.517 -10.345 -22.872 150 HG2 LYS 21 HG2 LYS 21 -9.245 -12.497 -21.920 151 HG3 LYS 21 HG3 LYS 21 -10.912 -12.166 -22.346 152 HD2 LYS 21 HD2 LYS 21 -10.607 -12.755 -24.542 153 HD3 LYS 21 HD3 LYS 21 -9.054 -11.951 -24.648 154 HE2 LYS 21 HE2 LYS 21 -8.039 -13.869 -23.318 155 HE3 LYS 21 HE3 LYS 21 -9.587 -14.686 -23.395 156 HZ1 LYS 21 HZ1 LYS 21 -7.607 -14.550 -25.351 157 HZ2 LYS 21 HZ2 LYS 21 -8.991 -15.416 -25.366 158 HZ3 LYS 21 HZ3 LYS 21 -8.974 -13.894 -25.958 159 H ARG 22 H ARG 22 -8.863 -11.676 -19.861 160 HA ARG 22 HA ARG 22 -6.937 -9.757 -18.817 161 HB2 ARG 22 HB2 ARG 22 -8.359 -12.074 -17.428 162 HB3 ARG 22 HB3 ARG 22 -6.923 -11.333 -16.750 163 HG2 ARG 22 HG2 ARG 22 -8.037 -9.420 -16.126 164 HG3 ARG 22 HG3 ARG 22 -9.001 -9.378 -17.589 165 HD2 ARG 22 HD2 ARG 22 -9.773 -11.697 -16.007 166 HD3 ARG 22 HD3 ARG 22 -9.807 -10.270 -14.989 167 HE ARG 22 HE ARG 22 -11.550 -9.362 -16.310 168 HH11 ARG 22 HH22 ARG 22 -10.260 -12.279 -17.798 169 HH12 ARG 22 HH21 ARG 22 -11.553 -12.421 -18.942 170 HH21 ARG 22 HH12 ARG 22 -13.256 -9.549 -17.819 171 HH22 ARG 22 HH11 ARG 22 -13.268 -10.857 -18.954 172 H ARG 23 H ARG 23 -4.806 -10.775 -18.132 173 HA ARG 23 HA ARG 23 -4.095 -12.729 -20.098 174 HB2 ARG 23 HB2 ARG 23 -2.775 -10.572 -18.786 175 HB3 ARG 23 HB3 ARG 23 -1.952 -12.014 -18.227 176 HG2 ARG 23 HG2 ARG 23 -2.254 -12.514 -20.960 177 HG3 ARG 23 HG3 ARG 23 -1.972 -10.785 -20.922 178 HD2 ARG 23 HD2 ARG 23 -0.157 -12.211 -19.093 179 HD3 ARG 23 HD3 ARG 23 -0.011 -12.808 -20.734 180 HE ARG 23 HE ARG 23 -0.037 -9.870 -20.495 181 HH11 ARG 23 HH22 ARG 23 1.936 -12.779 -20.647 182 HH12 ARG 23 HH21 ARG 23 3.365 -11.938 -21.147 183 HH21 ARG 23 HH12 ARG 23 1.848 -8.759 -21.154 184 HH22 ARG 23 HH11 ARG 23 3.315 -9.636 -21.437 185 H GLY 24 H GLY 24 -3.037 -12.376 -16.636 186 HA2 GLY 24 HA2 GLY 24 -4.070 -14.990 -15.944 187 HA3 GLY 24 HA3 GLY 24 -2.324 -14.911 -16.078 188 H GLY 25 H GLY 25 -3.411 -15.530 -13.611 189 HA2 GLY 25 HA2 GLY 25 -3.140 -14.957 -11.448 190 HA3 GLY 25 HA3 GLY 25 -2.318 -13.496 -11.958 191 H VAL 26 H VAL 26 -5.494 -14.977 -11.250 192 HA VAL 26 HA VAL 26 -7.122 -12.822 -11.845 193 HB VAL 26 HB VAL 26 -7.231 -15.298 -10.297 194 HG11 VAL 26 HG11 VAL 26 -7.896 -14.125 -8.399 195 HG12 VAL 26 HG12 VAL 26 -8.731 -12.867 -9.341 196 HG13 VAL 26 HG13 VAL 26 -9.448 -14.489 -9.191 197 HG21 VAL 26 HG21 VAL 26 -9.088 -15.716 -11.587 198 HG22 VAL 26 HG22 VAL 26 -9.597 -14.010 -11.609 199 HG23 VAL 26 HG23 VAL 26 -8.240 -14.547 -12.629 200 HA PRO 27 HA PRO 27 -6.197 -11.289 -7.468 201 HB2 PRO 27 HB2 PRO 27 -4.191 -12.429 -6.004 202 HB3 PRO 27 HB3 PRO 27 -5.876 -12.885 -5.840 203 HG2 PRO 27 HG2 PRO 27 -3.681 -14.348 -7.176 204 HG3 PRO 27 HG3 PRO 27 -5.234 -14.954 -6.634 205 HD2 PRO 27 HD2 PRO 27 -4.475 -14.349 -9.333 206 HD3 PRO 27 HD3 PRO 27 -6.061 -14.844 -8.776 207 H SER 28 H SER 28 -5.323 -10.266 -9.729 208 HA SER 28 HA SER 28 -2.684 -9.308 -8.932 209 HB2 SER 28 HB2 SER 28 -3.784 -9.595 -11.764 210 HB3 SER 28 HB3 SER 28 -2.201 -8.970 -11.349 211 HG SER 28 HG SER 28 -1.610 -11.029 -10.502 212 H LEU 29 H LEU 29 -5.359 -8.397 -11.237 213 HA LEU 29 HA LEU 29 -4.957 -5.697 -11.173 214 HB2 LEU 29 HB2 LEU 29 -7.484 -5.634 -11.676 215 HB3 LEU 29 HB3 LEU 29 -6.387 -6.407 -12.803 216 HG LEU 29 HG LEU 29 -7.319 -8.375 -10.925 217 HD11 LEU 29 HD11 LEU 29 -9.212 -6.768 -10.631 218 HD12 LEU 29 HD12 LEU 29 -9.569 -6.950 -12.365 219 HD13 LEU 29 HD13 LEU 29 -9.685 -8.356 -11.281 220 HD21 LEU 29 HD21 LEU 29 -8.216 -9.406 -13.041 221 HD22 LEU 29 HD22 LEU 29 -7.647 -7.956 -13.903 222 HD23 LEU 29 HD23 LEU 29 -6.482 -9.004 -13.059 223 H ILE 30 H ILE 30 -7.462 -7.465 -9.212 224 HA ILE 30 HA ILE 30 -8.298 -5.437 -7.660 225 HB ILE 30 HB ILE 30 -9.186 -7.707 -7.640 226 HG12 ILE 30 HG12 ILE 30 -9.864 -7.753 -5.358 227 HG13 ILE 30 HG13 ILE 30 -8.407 -6.940 -4.821 228 HG21 ILE 30 HG21 ILE 30 -6.728 -8.661 -7.444 229 HG22 ILE 30 HG22 ILE 30 -7.103 -8.625 -5.704 230 HG23 ILE 30 HG23 ILE 30 -8.131 -9.560 -6.817 231 HD11 ILE 30 HD11 ILE 30 -10.466 -5.453 -4.962 232 HD12 ILE 30 HD12 ILE 30 -9.063 -4.861 -5.885 233 HD13 ILE 30 HD13 ILE 30 -10.412 -5.659 -6.729 234 H ALA 31 H ALA 31 -5.221 -7.263 -7.351 235 HA ALA 31 HA ALA 31 -4.457 -6.185 -4.889 236 HB1 ALA 31 HB1 ALA 31 -2.867 -7.726 -5.259 237 HB2 ALA 31 HB2 ALA 31 -3.399 -7.890 -6.949 238 HB3 ALA 31 HB3 ALA 31 -2.163 -6.684 -6.519 239 H GLY 32 H GLY 32 -3.807 -5.143 -8.300 240 HA2 GLY 32 HA2 GLY 32 -2.224 -2.913 -7.623 241 HA3 GLY 32 HA3 GLY 32 -3.060 -3.194 -9.138 242 H LEU 33 H LEU 33 -5.683 -3.065 -8.762 243 HA LEU 33 HA LEU 33 -6.340 -0.471 -8.544 244 HB2 LEU 33 HB2 LEU 33 -7.879 -2.022 -9.418 245 HB3 LEU 33 HB3 LEU 33 -7.915 -2.961 -7.938 246 HG LEU 33 HG LEU 33 -8.774 -0.347 -7.246 247 HD11 LEU 33 HD11 LEU 33 -10.177 -1.379 -9.727 248 HD12 LEU 33 HD12 LEU 33 -10.703 -0.014 -8.714 249 HD13 LEU 33 HD13 LEU 33 -9.173 0.087 -9.616 250 HD21 LEU 33 HD21 LEU 33 -11.041 -1.744 -7.138 251 HD22 LEU 33 HD22 LEU 33 -9.906 -3.101 -7.337 252 HD23 LEU 33 HD23 LEU 33 -9.717 -1.976 -5.971 253 H PHE 34 H PHE 34 -6.232 -2.870 -5.839 254 HA PHE 34 HA PHE 34 -7.157 -1.143 -3.872 255 HB2 PHE 34 HB2 PHE 34 -6.671 -3.735 -3.949 256 HB3 PHE 34 HB3 PHE 34 -5.006 -3.316 -3.597 257 HD1 PHE 34 HD1 PHE 34 -4.403 -2.351 -1.415 258 HD2 PHE 34 HD2 PHE 34 -8.372 -3.596 -2.251 259 HE1 PHE 34 HE1 PHE 34 -4.929 -2.322 1.039 260 HE2 PHE 34 HE2 PHE 34 -8.899 -3.567 0.203 261 HZ PHE 34 HZ PHE 34 -7.171 -2.930 1.818 262 H VAL 35 H VAL 35 -3.748 -2.002 -4.803 263 HA VAL 35 HA VAL 35 -2.496 -0.372 -2.960 264 HB VAL 35 HB VAL 35 -1.686 -1.252 -5.736 265 HG11 VAL 35 HG11 VAL 35 0.631 -0.865 -4.233 266 HG12 VAL 35 HG12 VAL 35 0.038 0.164 -5.559 267 HG13 VAL 35 HG13 VAL 35 -0.368 0.563 -3.872 268 HG21 VAL 35 HG21 VAL 35 -0.326 -2.472 -3.460 269 HG22 VAL 35 HG22 VAL 35 -2.086 -2.733 -3.411 270 HG23 VAL 35 HG23 VAL 35 -1.152 -3.233 -4.841 271 H GLY 36 H GLY 36 -4.112 0.384 -6.035 272 HA2 GLY 36 HA2 GLY 36 -2.995 3.016 -6.272 273 HA3 GLY 36 HA3 GLY 36 -4.323 2.326 -7.184 274 H CYS 37 H CYS 37 -5.932 1.521 -4.832 275 HA CYS 37 HA CYS 37 -7.322 3.928 -4.489 276 HB2 CYS 37 HB2 CYS 37 -7.889 1.241 -4.141 277 HB3 CYS 37 HB3 CYS 37 -7.886 1.842 -2.495 278 HG CYS 37 HG CYS 37 -10.266 1.781 -4.068 279 H LEU 38 H LEU 38 -4.986 2.028 -2.503 280 HA LEU 38 HA LEU 38 -5.229 3.741 -0.242 281 HB2 LEU 38 HB2 LEU 38 -3.853 2.285 0.800 282 HB3 LEU 38 HB3 LEU 38 -4.476 1.246 -0.467 283 HG LEU 38 HG LEU 38 -2.356 1.956 -1.795 284 HD11 LEU 38 HD11 LEU 38 -0.523 2.199 0.212 285 HD12 LEU 38 HD12 LEU 38 -1.163 3.547 -0.759 286 HD13 LEU 38 HD13 LEU 38 -1.867 3.185 0.835 287 HD21 LEU 38 HD21 LEU 38 -2.932 -0.293 -0.731 288 HD22 LEU 38 HD22 LEU 38 -1.212 0.049 -1.041 289 HD23 LEU 38 HD23 LEU 38 -1.866 0.198 0.608 290 H ALA 39 H ALA 39 -3.172 3.559 -3.158 291 HA ALA 39 HA ALA 39 -1.201 5.347 -2.292 292 HB1 ALA 39 HB1 ALA 39 -0.829 5.599 -4.792 293 HB2 ALA 39 HB2 ALA 39 -0.821 3.923 -4.191 294 HB3 ALA 39 HB3 ALA 39 -2.254 4.560 -5.033 295 H GLY 40 H GLY 40 -4.244 5.839 -4.210 296 HA2 GLY 40 HA2 GLY 40 -3.984 8.607 -4.525 297 HA3 GLY 40 HA3 GLY 40 -5.471 7.682 -4.592 298 H TYR 41 H TYR 41 -5.813 6.665 -2.048 299 HA TYR 41 HA TYR 41 -6.800 8.859 -0.650 300 HB2 TYR 41 HB2 TYR 41 -7.334 6.295 -0.585 301 HB3 TYR 41 HB3 TYR 41 -5.895 6.109 0.398 302 HD1 TYR 41 HD2 TYR 41 -9.196 7.854 0.301 303 HD2 TYR 41 HD1 TYR 41 -5.995 6.394 2.735 304 HE1 TYR 41 HE2 TYR 41 -10.555 8.342 2.394 305 HE2 TYR 41 HE1 TYR 41 -7.364 6.888 4.819 306 HH TYR 41 HH TYR 41 -9.708 7.112 5.419 307 H GLY 42 H GLY 42 -3.606 7.321 -0.664 308 HA2 GLY 42 HA2 GLY 42 -2.763 8.382 1.859 309 HA3 GLY 42 HA3 GLY 42 -1.770 7.635 0.623 310 H ALA 43 H ALA 43 -1.325 8.989 -1.410 311 HA ALA 43 HA ALA 43 -0.103 11.348 -0.730 312 HB1 ALA 43 HB1 ALA 43 -0.091 9.755 -2.881 313 HB2 ALA 43 HB2 ALA 43 -1.192 11.008 -3.503 314 HB3 ALA 43 HB3 ALA 43 0.447 11.450 -2.967 315 H TYR 44 H TYR 44 -3.283 10.924 -2.448 316 HA TYR 44 HA TYR 44 -5.058 12.243 -2.591 317 HB2 TYR 44 HB2 TYR 44 -4.630 12.037 -0.002 318 HB3 TYR 44 HB3 TYR 44 -3.888 13.621 -0.101 319 HD1 TYR 44 HD1 TYR 44 -7.088 11.909 -1.072 320 HD2 TYR 44 HD2 TYR 44 -5.207 15.479 0.351 321 HE1 TYR 44 HE1 TYR 44 -9.365 13.002 -0.781 322 HE2 TYR 44 HE2 TYR 44 -7.490 16.559 0.638 323 HH TYR 44 HH TYR 44 -10.100 15.184 0.997 324 H ARG 45 H ARG 45 -4.616 13.397 -4.481 325 HA ARG 45 HA ARG 45 -4.590 15.351 -5.513 326 HB2 ARG 45 HB2 ARG 45 -4.772 16.456 -3.137 327 HB3 ARG 45 HB3 ARG 45 -3.038 16.681 -3.254 328 HG2 ARG 45 HG2 ARG 45 -3.253 18.059 -5.238 329 HG3 ARG 45 HG3 ARG 45 -4.938 17.624 -5.442 330 HD2 ARG 45 HD2 ARG 45 -4.919 18.660 -2.853 331 HD3 ARG 45 HD3 ARG 45 -3.721 19.658 -3.654 332 HE ARG 45 HE ARG 45 -6.069 19.381 -5.319 333 HH11 ARG 45 HH22 ARG 45 -4.873 21.050 -2.462 334 HH12 ARG 45 HH21 ARG 45 -5.952 22.393 -2.638 335 HH21 ARG 45 HH12 ARG 45 -7.494 21.152 -5.552 336 HH22 ARG 45 HH11 ARG 45 -7.453 22.452 -4.407 337 H VAL 46 H VAL 46 -1.777 14.201 -3.627 338 HA VAL 46 HA VAL 46 0.341 13.866 -4.157 339 HB VAL 46 HB VAL 46 -0.877 13.985 -6.905 340 HG11 VAL 46 HG11 VAL 46 1.397 12.937 -7.611 341 HG12 VAL 46 HG12 VAL 46 1.271 14.705 -7.456 342 HG13 VAL 46 HG13 VAL 46 2.036 13.751 -6.163 343 HG21 VAL 46 HG21 VAL 46 -1.347 12.053 -5.383 344 HG22 VAL 46 HG22 VAL 46 -0.533 11.600 -6.900 345 HG23 VAL 46 HG23 VAL 46 0.395 11.687 -5.383 346 H SER 47 H SER 47 -1.109 16.704 -4.132 347 HA SER 47 HA SER 47 0.182 18.470 -5.673 348 HB2 SER 47 HB2 SER 47 -1.581 18.759 -3.732 349 HB3 SER 47 HB3 SER 47 -0.180 19.051 -2.721 350 HG SER 47 HG SER 47 -0.028 21.022 -3.531 351 H ASN 48 H ASN 48 1.921 20.173 -4.785 352 HA ASN 48 HA ASN 48 4.282 18.700 -4.485 353 HB2 ASN 48 HB2 ASN 48 3.815 21.105 -5.524 354 HB3 ASN 48 HB3 ASN 48 4.067 21.674 -3.886 355 HD21 ASN 48 HD21 ASN 48 5.945 22.725 -4.189 356 HD22 ASN 48 HD22 ASN 48 7.451 21.979 -4.609 357 H ASP 49 H ASP 49 3.507 17.551 -2.400 358 HA ASP 49 HA ASP 49 4.603 18.960 -0.175 359 HB2 ASP 49 HB2 ASP 49 1.990 19.407 -0.406 360 HB3 ASP 49 HB3 ASP 49 1.841 17.778 0.220 361 H LYS 50 H LYS 50 2.712 16.137 -1.440 362 HA LYS 50 HA LYS 50 4.235 14.399 0.366 363 HB2 LYS 50 HB2 LYS 50 1.447 14.429 -0.575 364 HB3 LYS 50 HB3 LYS 50 2.212 12.858 -0.700 365 HG2 LYS 50 HG2 LYS 50 2.454 12.628 1.593 366 HG3 LYS 50 HG3 LYS 50 2.726 14.340 1.849 367 HD2 LYS 50 HD2 LYS 50 0.096 14.321 0.954 368 HD3 LYS 50 HD3 LYS 50 0.176 12.812 1.842 369 HE2 LYS 50 HE2 LYS 50 1.250 14.160 3.773 370 HE3 LYS 50 HE3 LYS 50 0.801 15.607 2.891 371 HZ1 LYS 50 HZ1 LYS 50 -1.328 13.730 3.136 372 HZ2 LYS 50 HZ2 LYS 50 -0.792 14.277 4.579 373 HZ3 LYS 50 HZ3 LYS 50 -1.314 15.333 3.447 374 H ARG 51 H ARG 51 4.244 12.007 -0.846 375 HA ARG 51 HA ARG 51 6.149 12.392 -2.837 376 HB2 ARG 51 HB2 ARG 51 5.941 9.855 -3.100 377 HB3 ARG 51 HB3 ARG 51 6.269 10.401 -1.467 378 HG2 ARG 51 HG2 ARG 51 3.446 10.429 -1.661 379 HG3 ARG 51 HG3 ARG 51 3.925 8.973 -2.510 380 HD2 ARG 51 HD2 ARG 51 4.674 9.740 0.350 381 HD3 ARG 51 HD3 ARG 51 3.607 8.439 -0.138 382 HE ARG 51 HE ARG 51 6.194 8.116 -1.382 383 HH11 ARG 51 HH22 ARG 51 4.541 7.750 1.703 384 HH12 ARG 51 HH21 ARG 51 5.617 6.521 2.279 385 HH21 ARG 51 HH12 ARG 51 7.614 6.495 -0.622 386 HH22 ARG 51 HH11 ARG 51 7.377 5.802 0.948 387 H ASP 52 H ASP 52 5.750 10.658 -4.921 388 HA ASP 52 HA ASP 52 3.193 11.481 -6.046 389 HB2 ASP 52 HB2 ASP 52 4.852 11.227 -8.252 390 HB3 ASP 52 HB3 ASP 52 4.398 12.746 -7.506 391 H VAL 53 H VAL 53 6.037 9.599 -7.305 392 HA VAL 53 HA VAL 53 4.240 7.306 -7.636 393 HB VAL 53 HB VAL 53 6.869 7.914 -8.998 394 HG11 VAL 53 HG11 VAL 53 6.473 5.569 -9.059 395 HG12 VAL 53 HG12 VAL 53 4.748 5.796 -9.433 396 HG13 VAL 53 HG13 VAL 53 5.983 6.201 -10.649 397 HG21 VAL 53 HG21 VAL 53 5.721 8.816 -10.827 398 HG22 VAL 53 HG22 VAL 53 4.156 8.154 -10.297 399 HG23 VAL 53 HG23 VAL 53 4.886 9.523 -9.424 400 H LYS 54 H LYS 54 6.708 8.592 -5.665 401 HA LYS 54 HA LYS 54 8.343 6.416 -5.202 402 HB2 LYS 54 HB2 LYS 54 7.664 8.945 -3.872 403 HB3 LYS 54 HB3 LYS 54 8.143 7.685 -2.752 404 HG2 LYS 54 HG2 LYS 54 10.269 8.362 -3.285 405 HG3 LYS 54 HG3 LYS 54 10.050 7.317 -4.675 406 HD2 LYS 54 HD2 LYS 54 9.757 9.089 -6.151 407 HD3 LYS 54 HD3 LYS 54 9.001 10.114 -4.948 408 HE2 LYS 54 HE2 LYS 54 11.777 9.532 -4.205 409 HE3 LYS 54 HE3 LYS 54 11.700 10.211 -5.819 410 HZ1 LYS 54 HZ1 LYS 54 11.489 12.140 -4.796 411 HZ2 LYS 54 HZ2 LYS 54 9.968 11.712 -4.382 412 HZ3 LYS 54 HZ3 LYS 54 11.199 11.467 -3.337 413 H VAL 55 H VAL 55 5.110 7.253 -3.853 414 HA VAL 55 HA VAL 55 5.092 5.075 -2.040 415 HB VAL 55 HB VAL 55 3.793 7.128 -1.750 416 HG11 VAL 55 HG11 VAL 55 3.231 7.118 -4.343 417 HG12 VAL 55 HG12 VAL 55 1.777 6.255 -3.785 418 HG13 VAL 55 HG13 VAL 55 2.142 7.881 -3.159 419 HG21 VAL 55 HG21 VAL 55 1.884 6.124 -0.813 420 HG22 VAL 55 HG22 VAL 55 1.832 4.849 -2.055 421 HG23 VAL 55 HG23 VAL 55 3.107 4.831 -0.814 422 H SER 56 H SER 56 4.078 5.594 -5.436 423 HA SER 56 HA SER 56 2.501 3.402 -5.755 424 HB2 SER 56 HB2 SER 56 3.340 5.361 -7.392 425 HB3 SER 56 HB3 SER 56 4.445 4.116 -7.941 426 HG SER 56 HG SER 56 1.682 3.436 -7.676 427 H LEU 57 H LEU 57 6.084 3.665 -6.364 428 HA LEU 57 HA LEU 57 6.338 0.865 -6.778 429 HB2 LEU 57 HB2 LEU 57 7.758 2.926 -7.595 430 HB3 LEU 57 HB3 LEU 57 8.637 2.652 -6.104 431 HG LEU 57 HG LEU 57 8.169 0.407 -8.063 432 HD11 LEU 57 HD11 LEU 57 9.170 2.244 -9.334 433 HD12 LEU 57 HD12 LEU 57 10.474 2.374 -8.129 434 HD13 LEU 57 HD13 LEU 57 10.316 0.900 -9.114 435 HD21 LEU 57 HD21 LEU 57 10.542 0.778 -6.251 436 HD22 LEU 57 HD22 LEU 57 9.013 0.108 -5.635 437 HD23 LEU 57 HD23 LEU 57 9.876 -0.714 -6.957 438 H PHE 58 H PHE 58 7.620 3.055 -4.169 439 HA PHE 58 HA PHE 58 8.614 1.306 -2.455 440 HB2 PHE 58 HB2 PHE 58 8.339 3.784 -2.119 441 HB3 PHE 58 HB3 PHE 58 6.611 3.579 -1.912 442 HD1 PHE 58 HD1 PHE 58 5.747 2.417 0.125 443 HD2 PHE 58 HD2 PHE 58 9.841 3.448 -0.306 444 HE1 PHE 58 HE1 PHE 58 6.074 2.153 2.599 445 HE2 PHE 58 HE2 PHE 58 10.168 3.185 2.168 446 HZ PHE 58 HZ PHE 58 8.281 2.540 3.592 447 H THR 59 H THR 59 5.084 1.916 -2.920 448 HA THR 59 HA THR 59 4.313 0.132 -0.837 449 HB THR 59 HB THR 59 2.803 1.343 -3.214 450 HG1 THR 59 HG1 THR 59 3.020 3.096 -1.885 451 HG21 THR 59 HG21 THR 59 1.969 -0.551 -1.175 452 HG22 THR 59 HG22 THR 59 1.217 1.027 -0.839 453 HG23 THR 59 HG23 THR 59 0.969 0.240 -2.417 454 H ALA 60 H ALA 60 4.145 -0.130 -4.456 455 HA ALA 60 HA ALA 60 3.214 -2.647 -4.666 456 HB1 ALA 60 HB1 ALA 60 4.851 -0.813 -6.253 457 HB2 ALA 60 HB2 ALA 60 5.240 -2.517 -6.592 458 HB3 ALA 60 HB3 ALA 60 3.569 -1.933 -6.774 459 H PHE 61 H PHE 61 6.580 -1.634 -3.864 460 HA PHE 61 HA PHE 61 7.621 -4.249 -3.901 461 HB2 PHE 61 HB2 PHE 61 8.528 -1.621 -3.712 462 HB3 PHE 61 HB3 PHE 61 8.726 -2.142 -2.051 463 HD1 PHE 61 HD2 PHE 61 9.855 -4.610 -1.896 464 HD2 PHE 61 HD1 PHE 61 10.372 -1.835 -5.064 465 HE1 PHE 61 HE2 PHE 61 12.032 -5.705 -2.499 466 HE2 PHE 61 HE1 PHE 61 12.549 -2.929 -5.667 467 HZ PHE 61 HZ PHE 61 13.353 -4.851 -4.378 468 H PHE 62 H PHE 62 6.387 -2.096 -1.261 469 HA PHE 62 HA PHE 62 6.996 -3.846 0.823 470 HB2 PHE 62 HB2 PHE 62 5.993 -1.285 0.462 471 HB3 PHE 62 HB3 PHE 62 4.517 -2.123 0.898 472 HD1 PHE 62 HD2 PHE 62 7.971 -1.438 2.068 473 HD2 PHE 62 HD1 PHE 62 4.036 -2.609 3.142 474 HE1 PHE 62 HE2 PHE 62 8.576 -1.243 4.496 475 HE2 PHE 62 HE1 PHE 62 4.642 -2.415 5.571 476 HZ PHE 62 HZ PHE 62 6.905 -1.734 6.218 477 H LEU 63 H LEU 63 3.714 -3.113 -0.575 478 HA LEU 63 HA LEU 63 2.353 -5.106 0.687 479 HB2 LEU 63 HB2 LEU 63 1.943 -3.287 -1.475 480 HB3 LEU 63 HB3 LEU 63 1.318 -4.853 -1.950 481 HG LEU 63 HG LEU 63 0.431 -4.369 0.715 482 HD11 LEU 63 HD11 LEU 63 -0.549 -2.281 0.748 483 HD12 LEU 63 HD12 LEU 63 0.998 -1.944 -0.065 484 HD13 LEU 63 HD13 LEU 63 -0.494 -2.103 -1.022 485 HD21 LEU 63 HD21 LEU 63 -0.958 -4.456 -1.972 486 HD22 LEU 63 HD22 LEU 63 -0.777 -5.769 -0.784 487 HD23 LEU 63 HD23 LEU 63 -1.816 -4.372 -0.414 488 H ALA 64 H ALA 64 4.087 -5.286 -2.491 489 HA ALA 64 HA ALA 64 3.466 -7.825 -3.210 490 HB1 ALA 64 HB1 ALA 64 5.838 -7.809 -4.209 491 HB2 ALA 64 HB2 ALA 64 4.762 -6.468 -4.670 492 HB3 ALA 64 HB3 ALA 64 6.026 -6.214 -3.443 493 H THR 65 H THR 65 6.431 -6.934 -1.292 494 HA THR 65 HA THR 65 7.250 -9.448 -0.650 495 HB THR 65 HB THR 65 7.310 -6.797 0.866 496 HG1 THR 65 HG1 THR 65 9.252 -8.485 -0.546 497 HG21 THR 65 HG21 THR 65 9.458 -8.693 1.486 498 HG22 THR 65 HG22 THR 65 8.438 -7.759 2.607 499 HG23 THR 65 HG23 THR 65 7.882 -9.339 2.003 500 H ILE 66 H ILE 66 4.662 -7.534 0.962 501 HA ILE 66 HA ILE 66 4.257 -9.381 3.033 502 HB ILE 66 HB ILE 66 2.562 -7.223 1.796 503 HG12 ILE 66 HG12 ILE 66 3.790 -7.312 4.554 504 HG13 ILE 66 HG13 ILE 66 4.694 -6.749 3.162 505 HG21 ILE 66 HG21 ILE 66 0.990 -7.473 3.636 506 HG22 ILE 66 HG22 ILE 66 1.066 -8.964 2.668 507 HG23 ILE 66 HG23 ILE 66 1.892 -8.882 4.242 508 HD11 ILE 66 HD11 ILE 66 3.773 -4.723 3.734 509 HD12 ILE 66 HD12 ILE 66 2.384 -5.331 2.802 510 HD13 ILE 66 HD13 ILE 66 2.397 -5.473 4.577 511 H MET 67 H MET 67 1.969 -8.729 0.292 512 HA MET 67 HA MET 67 0.483 -10.928 0.535 513 HB2 MET 67 HB2 MET 67 1.336 -9.149 -1.720 514 HB3 MET 67 HB3 MET 67 0.672 -10.688 -2.233 515 HG2 MET 67 HG2 MET 67 -1.344 -10.245 -0.740 516 HG3 MET 67 HG3 MET 67 -0.692 -8.654 -0.403 517 HE1 MET 67 HE1 MET 67 -2.440 -7.320 -1.126 518 HE2 MET 67 HE2 MET 67 -3.130 -7.164 -2.759 519 HE3 MET 67 HE3 MET 67 -3.602 -8.530 -1.721 520 H GLY 68 H GLY 68 3.071 -10.794 -2.018 521 HA2 GLY 68 HA2 GLY 68 4.332 -12.419 -2.926 522 HA3 GLY 68 HA3 GLY 68 4.519 -13.016 -1.290 523 H VAL 69 H VAL 69 1.308 -12.800 -2.821 524 HA VAL 69 HA VAL 69 0.781 -15.513 -2.315 525 HB VAL 69 HB VAL 69 -0.631 -13.511 -4.090 526 HG11 VAL 69 HG11 VAL 69 -2.056 -15.773 -2.751 527 HG12 VAL 69 HG12 VAL 69 -2.410 -14.942 -4.284 528 HG13 VAL 69 HG13 VAL 69 -1.091 -16.135 -4.202 529 HG21 VAL 69 HG21 VAL 69 -0.215 -13.327 -1.376 530 HG22 VAL 69 HG22 VAL 69 -1.563 -12.581 -2.267 531 HG23 VAL 69 HG23 VAL 69 -1.790 -14.152 -1.462 532 H ARG 70 H ARG 70 0.529 -13.977 -5.579 533 HA ARG 70 HA ARG 70 0.746 -16.191 -7.019 534 HB2 ARG 70 HB2 ARG 70 0.752 -13.489 -7.572 535 HB3 ARG 70 HB3 ARG 70 2.369 -13.917 -8.096 536 HG2 ARG 70 HG2 ARG 70 0.942 -14.197 -10.017 537 HG3 ARG 70 HG3 ARG 70 1.342 -15.811 -9.465 538 HD2 ARG 70 HD2 ARG 70 -0.869 -15.701 -8.084 539 HD3 ARG 70 HD3 ARG 70 -1.268 -14.296 -9.052 540 HE ARG 70 HE ARG 70 -0.537 -16.202 -10.940 541 HH11 ARG 70 HH22 ARG 70 -2.885 -16.097 -8.321 542 HH12 ARG 70 HH21 ARG 70 -3.989 -17.183 -9.096 543 HH21 ARG 70 HH12 ARG 70 -1.994 -17.635 -11.963 544 HH22 ARG 70 HH11 ARG 70 -3.479 -18.064 -11.182 545 H PHE 71 H PHE 71 2.378 -17.598 -7.784 546 HA PHE 71 HA PHE 71 5.022 -17.133 -6.603 547 HB2 PHE 71 HB2 PHE 71 3.578 -19.186 -5.984 548 HB3 PHE 71 HB3 PHE 71 3.660 -19.682 -7.663 549 HD1 PHE 71 HD1 PHE 71 6.067 -18.603 -5.007 550 HD2 PHE 71 HD2 PHE 71 5.178 -21.340 -8.126 551 HE1 PHE 71 HE1 PHE 71 8.206 -19.830 -4.540 552 HE2 PHE 71 HE2 PHE 71 7.318 -22.566 -7.659 553 HZ PHE 71 HZ PHE 71 8.806 -21.797 -5.872 554 H LYS 72 H LYS 72 3.201 -17.954 -9.580 555 HA LYS 72 HA LYS 72 5.582 -18.368 -11.109 556 HB2 LYS 72 HB2 LYS 72 2.883 -19.017 -11.369 557 HB3 LYS 72 HB3 LYS 72 3.143 -17.818 -12.620 558 HG2 LYS 72 HG2 LYS 72 5.032 -19.096 -13.537 559 HG3 LYS 72 HG3 LYS 72 4.968 -20.231 -12.203 560 HD2 LYS 72 HD2 LYS 72 2.790 -21.069 -12.913 561 HD3 LYS 72 HD3 LYS 72 2.617 -19.788 -14.097 562 HE2 LYS 72 HE2 LYS 72 3.948 -20.852 -15.638 563 HE3 LYS 72 HE3 LYS 72 5.107 -21.371 -14.431 564 HZ1 LYS 72 HZ1 LYS 72 2.665 -22.697 -14.058 565 HZ2 LYS 72 HZ2 LYS 72 3.161 -22.891 -15.602 566 HZ3 LYS 72 HZ3 LYS 72 4.137 -23.331 -14.369 567 H ARG 73 H ARG 73 4.670 -16.859 -13.483 568 HA ARG 73 HA ARG 73 5.048 -14.155 -12.502 569 HB2 ARG 73 HB2 ARG 73 6.530 -15.326 -14.908 570 HB3 ARG 73 HB3 ARG 73 6.725 -13.709 -14.260 571 HG2 ARG 73 HG2 ARG 73 7.986 -14.426 -12.449 572 HG3 ARG 73 HG3 ARG 73 7.133 -15.951 -12.314 573 HD2 ARG 73 HD2 ARG 73 8.307 -16.470 -14.659 574 HD3 ARG 73 HD3 ARG 73 9.424 -15.220 -14.151 575 HE ARG 73 HE ARG 73 9.021 -17.062 -11.981 576 HH11 ARG 73 HH22 ARG 73 10.591 -16.844 -15.123 577 HH12 ARG 73 HH21 ARG 73 11.811 -18.012 -14.737 578 HH21 ARG 73 HH12 ARG 73 10.630 -18.602 -11.471 579 HH22 ARG 73 HH11 ARG 73 11.834 -19.019 -12.646 580 H SER 74 H SER 74 3.507 -12.798 -13.379 581 HA SER 74 HA SER 74 2.203 -13.762 -15.799 582 HB2 SER 74 HB2 SER 74 0.870 -13.452 -13.604 583 HB3 SER 74 HB3 SER 74 1.080 -11.728 -13.835 584 HG SER 74 HG SER 74 -0.811 -13.272 -14.908 585 H LYS 75 H LYS 75 2.813 -10.610 -14.066 586 HA LYS 75 HA LYS 75 3.055 -9.309 -16.649 587 HB2 LYS 75 HB2 LYS 75 2.106 -8.564 -14.071 588 HB3 LYS 75 HB3 LYS 75 3.492 -7.550 -14.420 589 HG2 LYS 75 HG2 LYS 75 2.236 -7.472 -16.856 590 HG3 LYS 75 HG3 LYS 75 0.846 -7.698 -15.813 591 HD2 LYS 75 HD2 LYS 75 0.926 -5.531 -15.153 592 HD3 LYS 75 HD3 LYS 75 2.577 -5.722 -14.597 593 HE2 LYS 75 HE2 LYS 75 3.187 -5.548 -17.174 594 HE3 LYS 75 HE3 LYS 75 1.595 -4.832 -17.324 595 HZ1 LYS 75 HZ1 LYS 75 3.916 -3.824 -15.910 596 HZ2 LYS 75 HZ2 LYS 75 2.849 -3.026 -16.854 597 HZ3 LYS 75 HZ3 LYS 75 2.441 -3.434 -15.326 598 H LYS 76 H LYS 76 4.934 -8.657 -13.644 599 HA LYS 76 HA LYS 76 7.325 -8.605 -15.294 600 HB2 LYS 76 HB2 LYS 76 6.389 -7.272 -12.863 601 HB3 LYS 76 HB3 LYS 76 8.024 -7.881 -12.702 602 HG2 LYS 76 HG2 LYS 76 8.751 -6.684 -14.702 603 HG3 LYS 76 HG3 LYS 76 7.103 -6.252 -15.112 604 HD2 LYS 76 HD2 LYS 76 6.922 -4.702 -13.307 605 HD3 LYS 76 HD3 LYS 76 8.281 -5.399 -12.447 606 HE2 LYS 76 HE2 LYS 76 8.865 -4.319 -15.186 607 HE3 LYS 76 HE3 LYS 76 8.472 -3.133 -13.957 608 HZ1 LYS 76 HZ1 LYS 76 10.880 -4.159 -14.293 609 HZ2 LYS 76 HZ2 LYS 76 10.358 -3.556 -12.869 610 HZ3 LYS 76 HZ3 LYS 76 10.323 -5.167 -13.135 611 H ILE 77 H ILE 77 7.275 -9.484 -11.836 612 HA ILE 77 HA ILE 77 8.218 -12.154 -12.619 613 HB ILE 77 HB ILE 77 9.470 -11.763 -10.272 614 HG12 ILE 77 HG12 ILE 77 8.529 -9.321 -10.421 615 HG13 ILE 77 HG13 ILE 77 10.161 -9.616 -9.853 616 HG21 ILE 77 HG21 ILE 77 11.448 -10.990 -11.820 617 HG22 ILE 77 HG22 ILE 77 10.751 -12.621 -11.972 618 HG23 ILE 77 HG23 ILE 77 10.287 -11.344 -13.122 619 HD11 ILE 77 HD11 ILE 77 11.145 -8.914 -11.895 620 HD12 ILE 77 HD12 ILE 77 9.628 -9.125 -12.801 621 HD13 ILE 77 HD13 ILE 77 9.803 -7.769 -11.661 622 H MET 78 H MET 78 7.988 -11.180 -9.253 623 HA MET 78 HA MET 78 5.934 -13.136 -8.906 624 HB2 MET 78 HB2 MET 78 8.023 -11.864 -7.333 625 HB3 MET 78 HB3 MET 78 6.504 -11.642 -6.487 626 HG2 MET 78 HG2 MET 78 6.692 -14.375 -7.517 627 HG3 MET 78 HG3 MET 78 8.106 -13.994 -6.554 628 HE1 MET 78 HE1 MET 78 6.348 -15.970 -4.117 629 HE2 MET 78 HE2 MET 78 7.759 -15.602 -5.138 630 HE3 MET 78 HE3 MET 78 7.549 -14.773 -3.577 631 HA PRO 79 HA PRO 79 3.623 -9.265 -7.462 632 HB2 PRO 79 HB2 PRO 79 4.776 -6.795 -7.658 633 HB3 PRO 79 HB3 PRO 79 4.816 -7.757 -6.194 634 HG2 PRO 79 HG2 PRO 79 6.982 -7.257 -8.142 635 HG3 PRO 79 HG3 PRO 79 7.101 -7.842 -6.494 636 HD2 PRO 79 HD2 PRO 79 7.332 -9.402 -8.889 637 HD3 PRO 79 HD3 PRO 79 7.334 -10.003 -7.243 638 H ALA 80 H ALA 80 2.465 -10.029 -9.294 639 HA ALA 80 HA ALA 80 2.957 -8.581 -11.739 640 HB1 ALA 80 HB1 ALA 80 2.324 -11.069 -11.477 641 HB2 ALA 80 HB2 ALA 80 0.675 -10.487 -11.143 642 HB3 ALA 80 HB3 ALA 80 1.445 -10.130 -12.708 643 H GLY 81 H GLY 81 0.365 -8.871 -9.226 644 HA2 GLY 81 HA2 GLY 81 -1.251 -6.836 -10.457 645 HA3 GLY 81 HA3 GLY 81 -1.511 -7.630 -8.916 646 H LEU 82 H LEU 82 1.125 -7.074 -7.755 647 HA LEU 82 HA LEU 82 0.585 -4.593 -6.614 648 HB2 LEU 82 HB2 LEU 82 2.567 -6.695 -6.417 649 HB3 LEU 82 HB3 LEU 82 3.313 -5.116 -6.269 650 HG LEU 82 HG LEU 82 2.819 -5.768 -4.075 651 HD11 LEU 82 HD11 LEU 82 0.365 -4.267 -4.054 652 HD12 LEU 82 HD12 LEU 82 1.991 -3.792 -3.507 653 HD13 LEU 82 HD13 LEU 82 1.513 -3.539 -5.203 654 HD21 LEU 82 HD21 LEU 82 1.064 -7.522 -5.057 655 HD22 LEU 82 HD22 LEU 82 1.074 -7.027 -3.347 656 HD23 LEU 82 HD23 LEU 82 -0.084 -6.289 -4.481 657 H VAL 83 H VAL 83 3.219 -5.513 -8.949 658 HA VAL 83 HA VAL 83 4.047 -2.881 -9.370 659 HB VAL 83 HB VAL 83 4.274 -5.389 -11.039 660 HG11 VAL 83 HG11 VAL 83 6.402 -3.677 -11.674 661 HG12 VAL 83 HG12 VAL 83 5.022 -4.111 -12.712 662 HG13 VAL 83 HG13 VAL 83 4.953 -2.644 -11.705 663 HG21 VAL 83 HG21 VAL 83 6.710 -4.369 -9.822 664 HG22 VAL 83 HG22 VAL 83 5.454 -4.684 -8.601 665 HG23 VAL 83 HG23 VAL 83 5.967 -5.982 -9.706 666 H ALA 84 H ALA 84 1.775 -5.015 -11.220 667 HA ALA 84 HA ALA 84 1.205 -3.326 -13.288 668 HB1 ALA 84 HB1 ALA 84 -0.541 -5.281 -11.748 669 HB2 ALA 84 HB2 ALA 84 -1.037 -4.517 -13.277 670 HB3 ALA 84 HB3 ALA 84 0.385 -5.587 -13.237 671 H GLY 85 H GLY 85 0.182 -3.164 -9.878 672 HA2 GLY 85 HA2 GLY 85 -1.881 -1.234 -10.285 673 HA3 GLY 85 HA3 GLY 85 -1.135 -1.701 -8.769 674 H LEU 86 H LEU 86 1.529 -1.071 -9.019 675 HA LEU 86 HA LEU 86 1.612 1.617 -8.524 676 HB2 LEU 86 HB2 LEU 86 3.690 1.140 -7.969 677 HB3 LEU 86 HB3 LEU 86 3.358 -0.508 -8.462 678 HG LEU 86 HG LEU 86 4.079 0.396 -10.847 679 HD11 LEU 86 HD11 LEU 86 5.472 2.311 -8.957 680 HD12 LEU 86 HD12 LEU 86 5.905 2.054 -10.665 681 HD13 LEU 86 HD13 LEU 86 4.311 2.724 -10.241 682 HD21 LEU 86 HD21 LEU 86 5.629 -1.138 -10.455 683 HD22 LEU 86 HD22 LEU 86 6.567 0.055 -9.523 684 HD23 LEU 86 HD23 LEU 86 5.374 -0.979 -8.700 685 H SER 87 H SER 87 1.894 -0.137 -11.634 686 HA SER 87 HA SER 87 2.731 2.124 -13.068 687 HB2 SER 87 HB2 SER 87 2.754 -0.484 -13.633 688 HB3 SER 87 HB3 SER 87 1.199 -0.134 -14.360 689 HG SER 87 HG SER 87 2.253 1.527 -15.661 690 H LEU 88 H LEU 88 -0.465 0.418 -12.737 691 HA LEU 88 HA LEU 88 -1.923 2.157 -14.323 692 HB2 LEU 88 HB2 LEU 88 -2.386 -0.046 -12.558 693 HB3 LEU 88 HB3 LEU 88 -3.561 1.206 -12.208 694 HG LEU 88 HG LEU 88 -3.053 0.090 -14.978 695 HD11 LEU 88 HD11 LEU 88 -5.500 -0.842 -14.358 696 HD12 LEU 88 HD12 LEU 88 -4.000 -1.766 -14.105 697 HD13 LEU 88 HD13 LEU 88 -4.745 -0.888 -12.747 698 HD21 LEU 88 HD21 LEU 88 -5.654 1.281 -14.501 699 HD22 LEU 88 HD22 LEU 88 -4.339 2.437 -14.180 700 HD23 LEU 88 HD23 LEU 88 -4.449 1.630 -15.763 701 H MET 89 H MET 89 -0.535 2.566 -11.128 702 HA MET 89 HA MET 89 -2.318 4.624 -10.356 703 HB2 MET 89 HB2 MET 89 -0.701 3.025 -8.953 704 HB3 MET 89 HB3 MET 89 0.506 4.255 -9.274 705 HG2 MET 89 HG2 MET 89 -1.823 5.674 -8.434 706 HG3 MET 89 HG3 MET 89 -1.692 4.303 -7.350 707 HE1 MET 89 HE1 MET 89 0.458 6.767 -9.307 708 HE2 MET 89 HE2 MET 89 -0.259 7.881 -8.118 709 HE3 MET 89 HE3 MET 89 1.486 7.536 -8.074 710 H MET 90 H MET 90 1.268 4.725 -10.990 711 HA MET 90 HA MET 90 1.482 7.414 -11.155 712 HB2 MET 90 HB2 MET 90 3.544 6.925 -12.534 713 HB3 MET 90 HB3 MET 90 3.412 5.860 -11.149 714 HG2 MET 90 HG2 MET 90 3.047 3.986 -12.447 715 HG3 MET 90 HG3 MET 90 2.058 4.850 -13.607 716 HE1 MET 90 HE1 MET 90 3.210 4.278 -16.078 717 HE2 MET 90 HE2 MET 90 2.656 5.880 -15.536 718 HE3 MET 90 HE3 MET 90 4.200 5.720 -16.407 719 H ILE 91 H ILE 91 0.011 5.209 -13.462 720 HA ILE 91 HA ILE 91 0.149 7.151 -15.608 721 HB ILE 91 HB ILE 91 0.278 4.484 -15.626 722 HG12 ILE 91 HG12 ILE 91 -1.084 5.306 -18.039 723 HG13 ILE 91 HG13 ILE 91 0.015 6.567 -17.518 724 HG21 ILE 91 HG21 ILE 91 -2.655 5.096 -16.078 725 HG22 ILE 91 HG22 ILE 91 -1.851 3.558 -16.471 726 HG23 ILE 91 HG23 ILE 91 -1.956 4.100 -14.779 727 HD11 ILE 91 HD11 ILE 91 0.834 4.468 -19.006 728 HD12 ILE 91 HD12 ILE 91 1.900 5.258 -17.820 729 HD13 ILE 91 HD13 ILE 91 1.052 3.753 -17.390 730 H LEU 92 H LEU 92 -2.114 5.851 -13.172 731 HA LEU 92 HA LEU 92 -4.434 6.967 -14.299 732 HB2 LEU 92 HB2 LEU 92 -4.901 5.316 -12.812 733 HB3 LEU 92 HB3 LEU 92 -3.620 5.773 -11.707 734 HG LEU 92 HG LEU 92 -5.978 7.600 -12.005 735 HD11 LEU 92 HD11 LEU 92 -7.457 6.341 -10.828 736 HD12 LEU 92 HD12 LEU 92 -6.575 5.024 -11.639 737 HD13 LEU 92 HD13 LEU 92 -6.186 5.451 -9.955 738 HD21 LEU 92 HD21 LEU 92 -4.670 6.902 -9.413 739 HD22 LEU 92 HD22 LEU 92 -3.767 7.899 -10.579 740 HD23 LEU 92 HD23 LEU 92 -5.351 8.445 -9.979 741 H ARG 93 H ARG 93 -1.724 8.298 -12.496 742 HA ARG 93 HA ARG 93 -3.254 10.669 -11.904 743 HB2 ARG 93 HB2 ARG 93 -0.754 9.419 -10.908 744 HB3 ARG 93 HB3 ARG 93 -0.611 11.153 -11.110 745 HG2 ARG 93 HG2 ARG 93 -2.996 9.928 -9.670 746 HG3 ARG 93 HG3 ARG 93 -1.496 10.254 -8.824 747 HD2 ARG 93 HD2 ARG 93 -1.766 12.559 -8.931 748 HD3 ARG 93 HD3 ARG 93 -2.558 12.506 -10.493 749 HE ARG 93 HE ARG 93 -4.267 11.264 -8.552 750 HH11 ARG 93 HH22 ARG 93 -3.052 14.439 -9.463 751 HH12 ARG 93 HH21 ARG 93 -4.427 15.286 -8.838 752 HH21 ARG 93 HH12 ARG 93 -6.082 12.381 -7.728 753 HH22 ARG 93 HH11 ARG 93 -6.163 14.107 -7.844 754 H LEU 94 H LEU 94 -0.329 9.565 -13.734 755 HA LEU 94 HA LEU 94 0.402 12.058 -14.731 756 HB2 LEU 94 HB2 LEU 94 1.987 10.370 -14.843 757 HB3 LEU 94 HB3 LEU 94 0.874 9.216 -15.550 758 HG LEU 94 HG LEU 94 1.473 11.626 -17.186 759 HD11 LEU 94 HD11 LEU 94 3.635 10.499 -15.969 760 HD12 LEU 94 HD12 LEU 94 3.530 9.533 -17.461 761 HD13 LEU 94 HD13 LEU 94 3.663 11.306 -17.556 762 HD21 LEU 94 HD21 LEU 94 0.616 10.355 -18.789 763 HD22 LEU 94 HD22 LEU 94 1.806 9.068 -18.478 764 HD23 LEU 94 HD23 LEU 94 0.279 9.110 -17.563 765 H VAL 95 H VAL 95 -2.378 10.104 -15.346 766 HA VAL 95 HA VAL 95 -2.962 10.378 -17.949 767 HB VAL 95 HB VAL 95 -4.586 10.556 -15.444 768 HG11 VAL 95 HG11 VAL 95 -5.933 11.990 -16.695 769 HG12 VAL 95 HG12 VAL 95 -5.558 11.171 -18.230 770 HG13 VAL 95 HG13 VAL 95 -6.632 10.391 -17.044 771 HG21 VAL 95 HG21 VAL 95 -3.799 8.533 -17.393 772 HG22 VAL 95 HG22 VAL 95 -4.443 8.343 -15.745 773 HG23 VAL 95 HG23 VAL 95 -5.557 8.550 -17.117 774 H LEU 96 H LEU 96 -3.984 12.876 -15.506 775 HA LEU 96 HA LEU 96 -4.059 14.805 -17.684 776 HB2 LEU 96 HB2 LEU 96 -5.164 16.236 -15.959 777 HB3 LEU 96 HB3 LEU 96 -6.031 14.787 -16.428 778 HG LEU 96 HG LEU 96 -4.303 14.438 -14.064 779 HD11 LEU 96 HD11 LEU 96 -4.869 16.303 -12.989 780 HD12 LEU 96 HD12 LEU 96 -6.080 16.741 -14.218 781 HD13 LEU 96 HD13 LEU 96 -6.516 15.634 -12.894 782 HD21 LEU 96 HD21 LEU 96 -5.666 12.630 -14.400 783 HD22 LEU 96 HD22 LEU 96 -6.660 13.569 -13.261 784 HD23 LEU 96 HD23 LEU 96 -7.020 13.615 -15.004 785 H LEU 97 H LEU 97 -2.197 13.857 -14.833 786 HA LEU 97 HA LEU 97 -0.532 14.902 -13.740 787 HB2 LEU 97 HB2 LEU 97 0.292 13.760 -15.916 788 HB3 LEU 97 HB3 LEU 97 0.576 15.392 -16.488 789 HG LEU 97 HG LEU 97 1.744 14.380 -13.891 790 HD11 LEU 97 HD11 LEU 97 2.344 12.989 -15.987 791 HD12 LEU 97 HD12 LEU 97 3.292 14.415 -16.470 792 HD13 LEU 97 HD13 LEU 97 3.656 13.581 -14.941 793 HD21 LEU 97 HD21 LEU 97 2.206 16.770 -15.659 794 HD22 LEU 97 HD22 LEU 97 1.903 16.698 -13.907 795 HD23 LEU 97 HD23 LEU 97 3.476 16.181 -14.560 796 H LEU 98 H LEU 98 -2.726 16.677 -14.016 797 HA LEU 98 HA LEU 98 -1.494 19.193 -14.828 798 HB2 LEU 98 HB2 LEU 98 -4.325 18.386 -14.175 799 HB3 LEU 98 HB3 LEU 98 -3.839 20.053 -14.405 800 HG LEU 98 HG LEU 98 -3.943 17.822 -16.423 801 HD11 LEU 98 HD11 LEU 98 -5.172 20.561 -16.154 802 HD12 LEU 98 HD12 LEU 98 -5.100 19.714 -17.718 803 HD13 LEU 98 HD13 LEU 98 -5.970 18.982 -16.349 804 HD21 LEU 98 HD21 LEU 98 -2.193 20.259 -16.485 805 HD22 LEU 98 HD22 LEU 98 -1.847 18.591 -17.002 806 HD23 LEU 98 HD23 LEU 98 -2.900 19.630 -17.992 807 H LEU 99 H LEU 99 -2.973 17.516 -11.995 808 HA LEU 99 HA LEU 99 -2.559 19.707 -10.253 809 HB2 LEU 99 HB2 LEU 99 -3.656 17.024 -10.164 810 HB3 LEU 99 HB3 LEU 99 -2.704 17.369 -8.734 811 HG LEU 99 HG LEU 99 -4.878 19.225 -9.720 812 HD11 LEU 99 HD11 LEU 99 -5.136 16.948 -7.736 813 HD12 LEU 99 HD12 LEU 99 -6.365 18.197 -8.047 814 HD13 LEU 99 HD13 LEU 99 -5.906 17.059 -9.337 815 HD21 LEU 99 HD21 LEU 99 -2.989 19.900 -8.042 816 HD22 LEU 99 HD22 LEU 99 -4.681 20.352 -7.721 817 HD23 LEU 99 HD23 LEU 99 -3.956 18.962 -6.878 Start of MODEL 15 1 H MET 1 H1 MET 1 -2.062 -41.456 25.450 2 HA MET 1 HA MET 1 -3.706 -41.873 23.735 3 HB2 MET 1 HB2 MET 1 -5.884 -42.913 24.516 4 HB3 MET 1 HB3 MET 1 -4.533 -44.024 24.623 5 HG2 MET 1 HG2 MET 1 -4.269 -43.289 27.080 6 HG3 MET 1 HG3 MET 1 -5.796 -42.445 26.910 7 HE1 MET 1 HE1 MET 1 -4.524 -44.720 28.609 8 HE2 MET 1 HE2 MET 1 -5.716 -46.023 28.833 9 HE3 MET 1 HE3 MET 1 -4.378 -46.229 27.677 10 H ASP 2 H ASP 2 -5.197 -40.185 23.333 11 HA ASP 2 HA ASP 2 -5.060 -38.051 25.096 12 HB2 ASP 2 HB2 ASP 2 -6.868 -38.668 22.723 13 HB3 ASP 2 HB3 ASP 2 -6.968 -37.145 23.583 14 H LEU 3 H LEU 3 -5.985 -38.408 27.168 15 HA LEU 3 HA LEU 3 -8.292 -39.919 27.602 16 HB2 LEU 3 HB2 LEU 3 -6.319 -38.744 29.123 17 HB3 LEU 3 HB3 LEU 3 -7.739 -37.814 29.559 18 HG LEU 3 HG LEU 3 -8.448 -40.591 29.581 19 HD11 LEU 3 HD11 LEU 3 -5.744 -39.984 30.639 20 HD12 LEU 3 HD12 LEU 3 -6.809 -40.957 31.682 21 HD13 LEU 3 HD13 LEU 3 -6.432 -41.509 30.032 22 HD21 LEU 3 HD21 LEU 3 -9.147 -38.372 30.935 23 HD22 LEU 3 HD22 LEU 3 -9.479 -40.024 31.509 24 HD23 LEU 3 HD23 LEU 3 -8.072 -39.130 32.134 25 H ILE 4 H ILE 4 -8.066 -36.367 28.265 26 HA ILE 4 HA ILE 4 -10.704 -35.833 28.260 27 HB ILE 4 HB ILE 4 -9.361 -34.103 28.912 28 HG12 ILE 4 HG12 ILE 4 -9.747 -32.925 26.208 29 HG13 ILE 4 HG13 ILE 4 -11.177 -33.571 26.988 30 HG21 ILE 4 HG21 ILE 4 -7.682 -33.246 26.894 31 HG22 ILE 4 HG22 ILE 4 -7.220 -34.234 28.301 32 HG23 ILE 4 HG23 ILE 4 -7.616 -35.019 26.753 33 HD11 ILE 4 HD11 ILE 4 -10.112 -32.226 29.102 34 HD12 ILE 4 HD12 ILE 4 -9.477 -31.237 27.765 35 HD13 ILE 4 HD13 ILE 4 -11.232 -31.474 27.940 36 H GLY 5 H GLY 5 -9.003 -34.567 25.380 37 HA2 GLY 5 HA2 GLY 5 -9.361 -34.990 23.162 38 HA3 GLY 5 HA3 GLY 5 -10.549 -36.213 23.567 39 H PHE 6 H PHE 6 -12.358 -34.819 25.208 40 HA PHE 6 HA PHE 6 -13.959 -33.571 23.337 41 HB2 PHE 6 HB2 PHE 6 -14.165 -34.524 25.906 42 HB3 PHE 6 HB3 PHE 6 -14.057 -32.814 26.273 43 HD1 PHE 6 HD1 PHE 6 -16.105 -35.428 24.744 44 HD2 PHE 6 HD2 PHE 6 -15.848 -31.291 25.653 45 HE1 PHE 6 HE1 PHE 6 -18.559 -35.175 24.286 46 HE2 PHE 6 HE2 PHE 6 -18.303 -31.038 25.196 47 HZ PHE 6 HZ PHE 6 -19.629 -32.983 24.517 48 H GLY 7 H GLY 7 -12.069 -32.050 26.053 49 HA2 GLY 7 HA2 GLY 7 -12.637 -29.410 25.493 50 HA3 GLY 7 HA3 GLY 7 -11.174 -29.999 26.258 51 H TYR 8 H TYR 8 -9.853 -31.425 24.294 52 HA TYR 8 HA TYR 8 -8.536 -29.529 22.856 53 HB2 TYR 8 HB2 TYR 8 -8.228 -32.138 23.310 54 HB3 TYR 8 HB3 TYR 8 -9.180 -32.359 21.856 55 HD1 TYR 8 HD1 TYR 8 -6.019 -30.881 23.153 56 HD2 TYR 8 HD2 TYR 8 -8.193 -32.172 19.702 57 HE1 TYR 8 HE1 TYR 8 -3.920 -30.652 21.737 58 HE2 TYR 8 HE2 TYR 8 -6.087 -31.939 18.297 59 HH TYR 8 HH TYR 8 -4.025 -30.734 18.336 60 H ALA 9 H ALA 9 -11.276 -31.617 21.702 61 HA ALA 9 HA ALA 9 -11.324 -30.433 19.138 62 HB1 ALA 9 HB1 ALA 9 -13.697 -31.765 20.444 63 HB2 ALA 9 HB2 ALA 9 -13.133 -31.864 18.759 64 HB3 ALA 9 HB3 ALA 9 -12.248 -32.718 20.045 65 H ALA 10 H ALA 10 -12.586 -29.549 22.308 66 HA ALA 10 HA ALA 10 -14.685 -27.897 21.430 67 HB1 ALA 10 HB1 ALA 10 -13.125 -27.348 23.944 68 HB2 ALA 10 HB2 ALA 10 -14.885 -27.348 23.676 69 HB3 ALA 10 HB3 ALA 10 -14.003 -28.889 23.794 70 H LEU 11 H LEU 11 -11.410 -26.979 22.732 71 HA LEU 11 HA LEU 11 -11.567 -24.329 21.982 72 HB2 LEU 11 HB2 LEU 11 -9.259 -24.216 22.431 73 HB3 LEU 11 HB3 LEU 11 -9.955 -25.364 23.558 74 HG LEU 11 HG LEU 11 -9.166 -27.087 21.641 75 HD11 LEU 11 HD11 LEU 11 -6.724 -25.483 21.520 76 HD12 LEU 11 HD12 LEU 11 -7.577 -26.383 20.243 77 HD13 LEU 11 HD13 LEU 11 -8.097 -24.735 20.670 78 HD21 LEU 11 HD21 LEU 11 -7.205 -26.031 23.683 79 HD22 LEU 11 HD22 LEU 11 -8.630 -27.003 24.119 80 HD23 LEU 11 HD23 LEU 11 -7.376 -27.689 23.059 81 H VAL 12 H VAL 12 -10.487 -27.224 20.142 82 HA VAL 12 HA VAL 12 -9.384 -25.952 17.969 83 HB VAL 12 HB VAL 12 -10.799 -28.552 18.419 84 HG11 VAL 12 HG11 VAL 12 -10.304 -27.262 15.799 85 HG12 VAL 12 HG12 VAL 12 -9.731 -28.941 15.947 86 HG13 VAL 12 HG13 VAL 12 -11.442 -28.554 16.250 87 HG21 VAL 12 HG21 VAL 12 -8.023 -28.214 17.327 88 HG22 VAL 12 HG22 VAL 12 -8.329 -27.887 19.049 89 HG23 VAL 12 HG23 VAL 12 -8.691 -29.492 18.370 90 H THR 13 H THR 13 -12.838 -26.943 18.497 91 HA THR 13 HA THR 13 -13.765 -25.849 16.083 92 HB THR 13 HB THR 13 -15.094 -26.514 18.759 93 HG1 THR 13 HG1 THR 13 -15.024 -27.746 16.098 94 HG21 THR 13 HG21 THR 13 -16.527 -26.417 16.091 95 HG22 THR 13 HG22 THR 13 -17.209 -26.318 17.731 96 HG23 THR 13 HG23 THR 13 -16.366 -24.915 17.032 97 H PHE 14 H PHE 14 -13.151 -24.426 19.294 98 HA PHE 14 HA PHE 14 -14.613 -22.088 18.912 99 HB2 PHE 14 HB2 PHE 14 -13.237 -23.239 20.936 100 HB3 PHE 14 HB3 PHE 14 -11.924 -22.237 20.347 101 HD1 PHE 14 HD2 PHE 14 -15.454 -22.032 21.509 102 HD2 PHE 14 HD1 PHE 14 -11.744 -20.024 21.051 103 HE1 PHE 14 HE2 PHE 14 -16.341 -20.092 22.832 104 HE2 PHE 14 HE1 PHE 14 -12.631 -18.083 22.373 105 HZ PHE 14 HZ PHE 14 -14.919 -18.141 23.248 106 H GLY 15 H GLY 15 -11.061 -22.728 18.434 107 HA2 GLY 15 HA2 GLY 15 -10.514 -20.173 17.354 108 HA3 GLY 15 HA3 GLY 15 -9.504 -21.602 17.262 109 H SER 16 H SER 16 -11.857 -23.166 16.012 110 HA SER 16 HA SER 16 -11.092 -22.720 13.372 111 HB2 SER 16 HB2 SER 16 -12.575 -24.657 14.842 112 HB3 SER 16 HB3 SER 16 -13.648 -24.102 13.573 113 HG SER 16 HG SER 16 -11.353 -24.407 12.316 114 H ILE 17 H ILE 17 -14.181 -22.048 15.170 115 HA ILE 17 HA ILE 17 -15.376 -20.744 12.958 116 HB ILE 17 HB ILE 17 -16.033 -20.833 15.901 117 HG12 ILE 17 HG12 ILE 17 -17.420 -22.206 13.588 118 HG13 ILE 17 HG13 ILE 17 -16.129 -22.958 14.504 119 HG21 ILE 17 HG21 ILE 17 -16.916 -18.908 14.096 120 HG22 ILE 17 HG22 ILE 17 -18.229 -20.109 14.140 121 HG23 ILE 17 HG23 ILE 17 -17.669 -19.348 15.648 122 HD11 ILE 17 HD11 ILE 17 -17.702 -22.092 16.567 123 HD12 ILE 17 HD12 ILE 17 -18.938 -22.369 15.317 124 HD13 ILE 17 HD13 ILE 17 -17.864 -23.698 15.815 125 H PHE 18 H PHE 18 -13.879 -19.564 16.049 126 HA PHE 18 HA PHE 18 -14.199 -16.892 15.653 127 HB2 PHE 18 HB2 PHE 18 -13.096 -18.379 17.552 128 HB3 PHE 18 HB3 PHE 18 -11.614 -18.219 16.631 129 HD1 PHE 18 HD1 PHE 18 -10.973 -15.721 16.012 130 HD2 PHE 18 HD2 PHE 18 -13.525 -16.836 19.214 131 HE1 PHE 18 HE1 PHE 18 -10.504 -13.532 17.148 132 HE2 PHE 18 HE2 PHE 18 -13.055 -14.648 20.350 133 HZ PHE 18 HZ PHE 18 -11.550 -13.022 19.304 134 H GLY 19 H GLY 19 -11.771 -19.095 14.189 135 HA2 GLY 19 HA2 GLY 19 -10.167 -17.025 13.066 136 HA3 GLY 19 HA3 GLY 19 -10.143 -18.731 12.668 137 H TYR 20 H TYR 20 -11.902 -19.587 11.206 138 HA TYR 20 HA TYR 20 -12.980 -19.525 9.270 139 HB2 TYR 20 HB2 TYR 20 -14.094 -17.609 11.037 140 HB3 TYR 20 HB3 TYR 20 -13.844 -16.674 9.576 141 HD1 TYR 20 HD2 TYR 20 -14.930 -17.450 7.415 142 HD2 TYR 20 HD1 TYR 20 -15.897 -19.152 11.219 143 HE1 TYR 20 HE2 TYR 20 -17.090 -18.386 6.455 144 HE2 TYR 20 HE1 TYR 20 -18.054 -20.083 10.246 145 HH TYR 20 HH TYR 20 -18.984 -19.357 6.905 146 H LYS 21 H LYS 21 -11.276 -19.575 7.779 147 HA LYS 21 HA LYS 21 -9.643 -17.424 7.172 148 HB2 LYS 21 HB2 LYS 21 -9.624 -20.018 6.544 149 HB3 LYS 21 HB3 LYS 21 -10.331 -19.421 5.056 150 HG2 LYS 21 HG2 LYS 21 -8.440 -18.067 4.545 151 HG3 LYS 21 HG3 LYS 21 -7.868 -18.070 6.201 152 HD2 LYS 21 HD2 LYS 21 -7.715 -20.723 5.781 153 HD3 LYS 21 HD3 LYS 21 -7.623 -20.225 4.103 154 HE2 LYS 21 HE2 LYS 21 -5.574 -19.118 4.389 155 HE3 LYS 21 HE3 LYS 21 -5.863 -18.785 6.085 156 HZ1 LYS 21 HZ1 LYS 21 -5.246 -20.889 6.668 157 HZ2 LYS 21 HZ2 LYS 21 -5.577 -21.547 5.210 158 HZ3 LYS 21 HZ3 LYS 21 -4.241 -20.629 5.407 159 H ARG 22 H ARG 22 -9.577 -16.303 4.942 160 HA ARG 22 HA ARG 22 -12.059 -15.955 3.664 161 HB2 ARG 22 HB2 ARG 22 -12.349 -13.526 4.201 162 HB3 ARG 22 HB3 ARG 22 -12.524 -14.530 5.626 163 HG2 ARG 22 HG2 ARG 22 -10.284 -13.988 6.396 164 HG3 ARG 22 HG3 ARG 22 -9.870 -13.236 4.868 165 HD2 ARG 22 HD2 ARG 22 -12.249 -11.933 5.836 166 HD3 ARG 22 HD3 ARG 22 -11.129 -12.031 7.181 167 HE ARG 22 HE ARG 22 -9.741 -11.178 4.795 168 HH11 ARG 22 HH22 ARG 22 -11.952 -10.020 7.275 169 HH12 ARG 22 HH21 ARG 22 -11.465 -8.366 7.118 170 HH21 ARG 22 HH12 ARG 22 -9.097 -8.995 4.587 171 HH22 ARG 22 HH11 ARG 22 -9.830 -7.779 5.579 172 H ARG 23 H ARG 23 -9.246 -16.656 3.071 173 HA ARG 23 HA ARG 23 -7.859 -14.501 2.059 174 HB2 ARG 23 HB2 ARG 23 -7.356 -17.182 2.367 175 HB3 ARG 23 HB3 ARG 23 -7.598 -17.129 0.632 176 HG2 ARG 23 HG2 ARG 23 -5.972 -14.906 1.061 177 HG3 ARG 23 HG3 ARG 23 -5.371 -16.035 2.259 178 HD2 ARG 23 HD2 ARG 23 -5.869 -17.217 -0.440 179 HD3 ARG 23 HD3 ARG 23 -4.588 -16.023 -0.384 180 HE ARG 23 HE ARG 23 -4.441 -18.008 1.775 181 HH11 ARG 23 HH22 ARG 23 -3.495 -17.240 -1.526 182 HH12 ARG 23 HH21 ARG 23 -2.138 -18.318 -1.524 183 HH21 ARG 23 HH12 ARG 23 -2.652 -19.430 1.779 184 HH22 ARG 23 HH11 ARG 23 -1.656 -19.572 0.369 185 H GLY 24 H GLY 24 -7.362 -15.748 -0.695 186 HA2 GLY 24 HA2 GLY 24 -8.691 -16.082 -2.665 187 HA3 GLY 24 HA3 GLY 24 -9.884 -14.969 -2.025 188 H GLY 25 H GLY 25 -8.480 -14.811 -4.618 189 HA2 GLY 25 HA2 GLY 25 -8.176 -12.372 -5.295 190 HA3 GLY 25 HA3 GLY 25 -6.793 -12.423 -4.219 191 H VAL 26 H VAL 26 -8.261 -14.141 -7.055 192 HA VAL 26 HA VAL 26 -5.865 -15.468 -7.741 193 HB VAL 26 HB VAL 26 -8.594 -15.164 -8.736 194 HG11 VAL 26 HG11 VAL 26 -8.008 -15.904 -11.071 195 HG12 VAL 26 HG12 VAL 26 -7.606 -14.210 -10.702 196 HG13 VAL 26 HG13 VAL 26 -6.324 -15.444 -10.729 197 HG21 VAL 26 HG21 VAL 26 -6.922 -17.517 -9.438 198 HG22 VAL 26 HG22 VAL 26 -7.114 -17.177 -7.702 199 HG23 VAL 26 HG23 VAL 26 -8.549 -17.434 -8.722 200 HA PRO 27 HA PRO 27 -5.408 -11.833 -10.732 201 HB2 PRO 27 HB2 PRO 27 -7.032 -9.647 -10.502 202 HB3 PRO 27 HB3 PRO 27 -7.340 -10.957 -11.625 203 HG2 PRO 27 HG2 PRO 27 -8.696 -10.350 -9.070 204 HG3 PRO 27 HG3 PRO 27 -9.244 -11.364 -10.389 205 HD2 PRO 27 HD2 PRO 27 -8.155 -12.245 -7.886 206 HD3 PRO 27 HD3 PRO 27 -8.594 -13.253 -9.250 207 H SER 28 H SER 28 -3.863 -10.192 -10.684 208 HA SER 28 HA SER 28 -3.468 -9.275 -7.944 209 HB2 SER 28 HB2 SER 28 -1.703 -10.828 -8.835 210 HB3 SER 28 HB3 SER 28 -1.372 -9.686 -10.123 211 HG SER 28 HG SER 28 0.042 -9.576 -8.149 212 H LEU 29 H LEU 29 -3.522 -8.466 -11.429 213 HA LEU 29 HA LEU 29 -2.511 -5.935 -11.414 214 HB2 LEU 29 HB2 LEU 29 -3.995 -5.536 -13.352 215 HB3 LEU 29 HB3 LEU 29 -3.052 -7.010 -13.445 216 HG LEU 29 HG LEU 29 -5.464 -7.826 -12.294 217 HD11 LEU 29 HD11 LEU 29 -6.956 -6.229 -12.778 218 HD12 LEU 29 HD12 LEU 29 -5.890 -5.451 -13.972 219 HD13 LEU 29 HD13 LEU 29 -6.866 -6.865 -14.439 220 HD21 LEU 29 HD21 LEU 29 -5.787 -8.562 -14.863 221 HD22 LEU 29 HD22 LEU 29 -4.061 -8.125 -14.889 222 HD23 LEU 29 HD23 LEU 29 -4.651 -9.354 -13.745 223 H ILE 30 H ILE 30 -5.831 -7.029 -10.508 224 HA ILE 30 HA ILE 30 -6.788 -4.416 -10.049 225 HB ILE 30 HB ILE 30 -8.235 -6.293 -10.552 226 HG12 ILE 30 HG12 ILE 30 -10.001 -5.734 -9.101 227 HG13 ILE 30 HG13 ILE 30 -8.928 -5.411 -7.753 228 HG21 ILE 30 HG21 ILE 30 -6.698 -7.810 -8.950 229 HG22 ILE 30 HG22 ILE 30 -8.043 -7.470 -7.836 230 HG23 ILE 30 HG23 ILE 30 -8.363 -8.239 -9.409 231 HD11 ILE 30 HD11 ILE 30 -8.707 -3.776 -10.299 232 HD12 ILE 30 HD12 ILE 30 -9.926 -3.380 -9.065 233 HD13 ILE 30 HD13 ILE 30 -8.196 -3.345 -8.650 234 H ALA 31 H ALA 31 -4.794 -6.672 -8.222 235 HA ALA 31 HA ALA 31 -5.329 -5.622 -5.662 236 HB1 ALA 31 HB1 ALA 31 -3.937 -7.760 -6.739 237 HB2 ALA 31 HB2 ALA 31 -2.632 -6.713 -6.132 238 HB3 ALA 31 HB3 ALA 31 -3.912 -7.269 -5.028 239 H GLY 32 H GLY 32 -2.608 -5.073 -8.013 240 HA2 GLY 32 HA2 GLY 32 -1.302 -3.097 -6.543 241 HA3 GLY 32 HA3 GLY 32 -1.213 -3.333 -8.277 242 H LEU 33 H LEU 33 -3.860 -2.845 -9.110 243 HA LEU 33 HA LEU 33 -3.889 -0.082 -9.260 244 HB2 LEU 33 HB2 LEU 33 -4.925 -1.400 -10.932 245 HB3 LEU 33 HB3 LEU 33 -5.978 -2.188 -9.775 246 HG LEU 33 HG LEU 33 -6.626 0.498 -9.486 247 HD11 LEU 33 HD11 LEU 33 -7.022 0.383 -12.339 248 HD12 LEU 33 HD12 LEU 33 -6.267 1.652 -11.346 249 HD13 LEU 33 HD13 LEU 33 -5.287 0.295 -11.951 250 HD21 LEU 33 HD21 LEU 33 -8.617 -0.296 -11.048 251 HD22 LEU 33 HD22 LEU 33 -7.860 -1.886 -10.791 252 HD23 LEU 33 HD23 LEU 33 -8.406 -0.926 -9.396 253 H PHE 34 H PHE 34 -5.570 -2.347 -7.024 254 HA PHE 34 HA PHE 34 -7.218 -0.466 -5.821 255 HB2 PHE 34 HB2 PHE 34 -7.142 -3.056 -5.662 256 HB3 PHE 34 HB3 PHE 34 -5.772 -2.883 -4.584 257 HD1 PHE 34 HD1 PHE 34 -6.077 -1.897 -2.339 258 HD2 PHE 34 HD2 PHE 34 -9.378 -2.636 -4.901 259 HE1 PHE 34 HE1 PHE 34 -7.640 -1.693 -0.385 260 HE2 PHE 34 HE2 PHE 34 -10.941 -2.432 -2.947 261 HZ PHE 34 HZ PHE 34 -10.053 -1.963 -0.713 262 H VAL 35 H VAL 35 -3.875 -1.579 -4.970 263 HA VAL 35 HA VAL 35 -3.648 -0.072 -2.640 264 HB VAL 35 HB VAL 35 -1.562 -1.021 -4.613 265 HG11 VAL 35 HG11 VAL 35 -0.476 0.621 -3.309 266 HG12 VAL 35 HG12 VAL 35 -1.317 0.121 -1.822 267 HG13 VAL 35 HG13 VAL 35 -0.067 -0.928 -2.534 268 HG21 VAL 35 HG21 VAL 35 -1.551 -2.550 -2.230 269 HG22 VAL 35 HG22 VAL 35 -3.251 -2.412 -2.739 270 HG23 VAL 35 HG23 VAL 35 -2.036 -3.066 -3.863 271 H GLY 36 H GLY 36 -3.159 0.730 -6.098 272 HA2 GLY 36 HA2 GLY 36 -1.934 3.258 -5.619 273 HA3 GLY 36 HA3 GLY 36 -2.618 2.668 -7.121 274 H CYS 37 H CYS 37 -5.300 2.058 -5.983 275 HA CYS 37 HA CYS 37 -6.446 4.584 -6.394 276 HB2 CYS 37 HB2 CYS 37 -7.347 1.996 -6.519 277 HB3 CYS 37 HB3 CYS 37 -8.126 2.556 -5.052 278 HG CYS 37 HG CYS 37 -9.929 3.088 -6.649 279 H LEU 38 H LEU 38 -6.038 2.448 -3.480 280 HA LEU 38 HA LEU 38 -7.194 4.259 -1.681 281 HB2 LEU 38 HB2 LEU 38 -6.684 2.734 -0.081 282 HB3 LEU 38 HB3 LEU 38 -6.665 1.721 -1.511 283 HG LEU 38 HG LEU 38 -4.139 2.056 -1.570 284 HD11 LEU 38 HD11 LEU 38 -4.798 3.735 0.705 285 HD12 LEU 38 HD12 LEU 38 -3.608 2.482 1.133 286 HD13 LEU 38 HD13 LEU 38 -3.281 3.596 -0.216 287 HD21 LEU 38 HD21 LEU 38 -4.581 0.656 0.964 288 HD22 LEU 38 HD22 LEU 38 -5.720 0.182 -0.318 289 HD23 LEU 38 HD23 LEU 38 -3.967 0.054 -0.595 290 H ALA 39 H ALA 39 -3.921 3.904 -3.049 291 HA ALA 39 HA ALA 39 -2.570 5.494 -1.197 292 HB1 ALA 39 HB1 ALA 39 -1.285 4.158 -2.666 293 HB2 ALA 39 HB2 ALA 39 -2.141 4.761 -4.105 294 HB3 ALA 39 HB3 ALA 39 -1.008 5.822 -3.234 295 H GLY 40 H GLY 40 -3.933 6.361 -4.459 296 HA2 GLY 40 HA2 GLY 40 -3.475 9.131 -4.164 297 HA3 GLY 40 HA3 GLY 40 -4.533 8.350 -5.322 298 H TYR 41 H TYR 41 -6.661 7.377 -4.265 299 HA TYR 41 HA TYR 41 -8.244 9.403 -3.423 300 HB2 TYR 41 HB2 TYR 41 -8.659 6.888 -4.116 301 HB3 TYR 41 HB3 TYR 41 -8.383 6.496 -2.431 302 HD1 TYR 41 HD2 TYR 41 -9.900 7.700 -0.680 303 HD2 TYR 41 HD1 TYR 41 -10.810 7.462 -4.854 304 HE1 TYR 41 HE2 TYR 41 -12.349 8.161 -0.180 305 HE2 TYR 41 HE1 TYR 41 -13.257 7.924 -4.339 306 HH TYR 41 HH TYR 41 -14.286 8.760 -1.082 307 H GLY 42 H GLY 42 -6.017 7.429 -1.464 308 HA2 GLY 42 HA2 GLY 42 -7.117 8.176 1.063 309 HA3 GLY 42 HA3 GLY 42 -5.572 7.411 0.751 310 H ALA 43 H ALA 43 -3.758 8.830 -0.100 311 HA ALA 43 HA ALA 43 -3.181 10.882 1.539 312 HB1 ALA 43 HB1 ALA 43 -2.262 9.878 -1.061 313 HB2 ALA 43 HB2 ALA 43 -1.972 11.622 -0.860 314 HB3 ALA 43 HB3 ALA 43 -1.321 10.468 0.329 315 H TYR 44 H TYR 44 -4.428 11.346 -1.851 316 HA TYR 44 HA TYR 44 -5.550 13.020 -2.778 317 HB2 TYR 44 HB2 TYR 44 -6.890 12.119 -0.488 318 HB3 TYR 44 HB3 TYR 44 -6.761 13.831 -0.139 319 HD1 TYR 44 HD2 TYR 44 -8.118 11.355 -2.546 320 HD2 TYR 44 HD1 TYR 44 -8.126 15.440 -1.274 321 HE1 TYR 44 HE2 TYR 44 -10.150 11.813 -4.004 322 HE2 TYR 44 HE1 TYR 44 -10.158 15.884 -2.737 323 HH TYR 44 HH TYR 44 -11.044 14.128 -5.167 324 H ARG 45 H ARG 45 -2.953 13.757 -2.026 325 HA ARG 45 HA ARG 45 -2.998 16.412 -2.274 326 HB2 ARG 45 HB2 ARG 45 -3.772 15.762 0.412 327 HB3 ARG 45 HB3 ARG 45 -2.147 16.409 0.513 328 HG2 ARG 45 HG2 ARG 45 -2.781 18.475 -0.546 329 HG3 ARG 45 HG3 ARG 45 -4.298 17.812 -1.119 330 HD2 ARG 45 HD2 ARG 45 -3.953 17.684 1.839 331 HD3 ARG 45 HD3 ARG 45 -4.009 19.312 1.192 332 HE ARG 45 HE ARG 45 -6.108 17.602 0.093 333 HH11 ARG 45 HH22 ARG 45 -5.227 19.663 2.806 334 HH12 ARG 45 HH21 ARG 45 -6.868 20.002 3.246 335 HH21 ARG 45 HH12 ARG 45 -8.273 18.049 0.674 336 HH22 ARG 45 HH11 ARG 45 -8.612 19.078 2.025 337 H VAL 46 H VAL 46 -1.527 13.533 -0.806 338 HA VAL 46 HA VAL 46 1.095 14.545 -0.587 339 HB VAL 46 HB VAL 46 0.056 11.719 -0.884 340 HG11 VAL 46 HG11 VAL 46 2.173 11.037 0.175 341 HG12 VAL 46 HG12 VAL 46 2.449 11.853 -1.382 342 HG13 VAL 46 HG13 VAL 46 2.731 12.727 0.142 343 HG21 VAL 46 HG21 VAL 46 -0.084 11.598 1.465 344 HG22 VAL 46 HG22 VAL 46 0.846 13.099 1.688 345 HG23 VAL 46 HG23 VAL 46 -0.815 13.167 1.050 346 H SER 47 H SER 47 -0.888 13.937 -3.292 347 HA SER 47 HA SER 47 1.306 13.123 -4.963 348 HB2 SER 47 HB2 SER 47 -0.879 12.100 -5.365 349 HB3 SER 47 HB3 SER 47 -1.637 13.671 -5.537 350 HG SER 47 HG SER 47 0.455 13.540 -7.282 351 H ASN 48 H ASN 48 2.197 14.425 -6.666 352 HA ASN 48 HA ASN 48 2.728 16.229 -7.761 353 HB2 ASN 48 HB2 ASN 48 0.043 16.599 -7.603 354 HB3 ASN 48 HB3 ASN 48 0.532 17.952 -6.601 355 HD21 ASN 48 HD21 ASN 48 0.852 19.784 -7.588 356 HD22 ASN 48 HD22 ASN 48 1.306 20.026 -9.242 357 H ASP 49 H ASP 49 1.126 17.398 -4.690 358 HA ASP 49 HA ASP 49 3.089 19.325 -4.219 359 HB2 ASP 49 HB2 ASP 49 0.645 19.098 -3.299 360 HB3 ASP 49 HB3 ASP 49 1.341 18.048 -2.081 361 H LYS 50 H LYS 50 3.117 15.921 -3.994 362 HA LYS 50 HA LYS 50 5.581 15.954 -2.530 363 HB2 LYS 50 HB2 LYS 50 3.125 15.421 -1.122 364 HB3 LYS 50 HB3 LYS 50 4.086 13.956 -1.179 365 HG2 LYS 50 HG2 LYS 50 5.786 14.847 0.111 366 HG3 LYS 50 HG3 LYS 50 5.618 16.450 -0.576 367 HD2 LYS 50 HD2 LYS 50 4.335 17.124 1.169 368 HD3 LYS 50 HD3 LYS 50 3.198 15.819 0.893 369 HE2 LYS 50 HE2 LYS 50 4.314 14.346 2.377 370 HE3 LYS 50 HE3 LYS 50 5.834 15.210 2.257 371 HZ1 LYS 50 HZ1 LYS 50 3.521 15.818 3.869 372 HZ2 LYS 50 HZ2 LYS 50 5.107 16.003 4.211 373 HZ3 LYS 50 HZ3 LYS 50 4.341 17.097 3.271 374 H ARG 51 H ARG 51 5.656 13.129 -2.014 375 HA ARG 51 HA ARG 51 6.564 12.205 -4.352 376 HB2 ARG 51 HB2 ARG 51 6.039 9.857 -3.349 377 HB3 ARG 51 HB3 ARG 51 7.055 10.925 -2.402 378 HG2 ARG 51 HG2 ARG 51 4.422 11.606 -1.629 379 HG3 ARG 51 HG3 ARG 51 4.390 9.860 -1.777 380 HD2 ARG 51 HD2 ARG 51 6.276 11.526 -0.051 381 HD3 ARG 51 HD3 ARG 51 5.059 10.393 0.501 382 HE ARG 51 HE ARG 51 6.956 9.080 -1.251 383 HH11 ARG 51 HH22 ARG 51 6.557 10.281 2.032 384 HH12 ARG 51 HH21 ARG 51 7.710 9.181 2.711 385 HH21 ARG 51 HH12 ARG 51 8.478 7.629 -0.356 386 HH22 ARG 51 HH11 ARG 51 8.810 7.663 1.343 387 H ASP 52 H ASP 52 5.735 10.932 -6.114 388 HA ASP 52 HA ASP 52 2.822 10.795 -6.165 389 HB2 ASP 52 HB2 ASP 52 3.829 12.543 -7.702 390 HB3 ASP 52 HB3 ASP 52 4.704 11.266 -8.525 391 H VAL 53 H VAL 53 5.734 9.666 -8.063 392 HA VAL 53 HA VAL 53 4.495 7.042 -8.297 393 HB VAL 53 HB VAL 53 7.025 8.107 -9.560 394 HG11 VAL 53 HG11 VAL 53 6.880 6.288 -11.067 395 HG12 VAL 53 HG12 VAL 53 6.589 5.591 -9.455 396 HG13 VAL 53 HG13 VAL 53 5.222 5.889 -10.556 397 HG21 VAL 53 HG21 VAL 53 5.315 8.205 -11.601 398 HG22 VAL 53 HG22 VAL 53 4.149 8.488 -10.286 399 HG23 VAL 53 HG23 VAL 53 5.539 9.581 -10.493 400 H LYS 54 H LYS 54 6.733 8.782 -6.336 401 HA LYS 54 HA LYS 54 8.632 6.830 -5.800 402 HB2 LYS 54 HB2 LYS 54 7.614 9.283 -4.443 403 HB3 LYS 54 HB3 LYS 54 8.549 8.163 -3.473 404 HG2 LYS 54 HG2 LYS 54 9.808 8.530 -6.088 405 HG3 LYS 54 HG3 LYS 54 9.543 10.083 -5.320 406 HD2 LYS 54 HD2 LYS 54 11.021 9.648 -3.592 407 HD3 LYS 54 HD3 LYS 54 10.623 7.943 -3.532 408 HE2 LYS 54 HE2 LYS 54 11.915 7.576 -5.655 409 HE3 LYS 54 HE3 LYS 54 12.329 9.279 -5.690 410 HZ1 LYS 54 HZ1 LYS 54 13.644 7.296 -4.348 411 HZ2 LYS 54 HZ2 LYS 54 13.934 8.901 -4.252 412 HZ3 LYS 54 HZ3 LYS 54 12.933 8.186 -3.178 413 H VAL 55 H VAL 55 5.437 7.511 -4.237 414 HA VAL 55 HA VAL 55 5.673 5.424 -2.366 415 HB VAL 55 HB VAL 55 4.172 7.482 -2.356 416 HG11 VAL 55 HG11 VAL 55 3.243 6.838 -4.698 417 HG12 VAL 55 HG12 VAL 55 2.168 5.746 -3.792 418 HG13 VAL 55 HG13 VAL 55 2.127 7.498 -3.479 419 HG21 VAL 55 HG21 VAL 55 2.776 6.511 -0.788 420 HG22 VAL 55 HG22 VAL 55 2.567 5.019 -1.735 421 HG23 VAL 55 HG23 VAL 55 4.093 5.316 -0.868 422 H SER 56 H SER 56 4.591 5.621 -5.756 423 HA SER 56 HA SER 56 3.150 3.307 -5.886 424 HB2 SER 56 HB2 SER 56 3.951 5.227 -7.672 425 HB3 SER 56 HB3 SER 56 4.944 3.884 -8.202 426 HG SER 56 HG SER 56 2.899 3.887 -9.298 427 H LEU 57 H LEU 57 6.671 3.765 -6.720 428 HA LEU 57 HA LEU 57 7.173 1.023 -6.998 429 HB2 LEU 57 HB2 LEU 57 8.499 2.877 -7.967 430 HB3 LEU 57 HB3 LEU 57 9.093 3.268 -6.365 431 HG LEU 57 HG LEU 57 9.547 0.466 -6.941 432 HD11 LEU 57 HD11 LEU 57 9.515 1.239 -9.291 433 HD12 LEU 57 HD12 LEU 57 10.807 2.401 -8.903 434 HD13 LEU 57 HD13 LEU 57 11.113 0.652 -8.772 435 HD21 LEU 57 HD21 LEU 57 10.697 2.443 -5.436 436 HD22 LEU 57 HD22 LEU 57 11.422 0.855 -5.782 437 HD23 LEU 57 HD23 LEU 57 11.861 2.269 -6.771 438 H PHE 58 H PHE 58 8.191 3.276 -4.326 439 HA PHE 58 HA PHE 58 9.201 1.518 -2.593 440 HB2 PHE 58 HB2 PHE 58 7.447 3.986 -2.411 441 HB3 PHE 58 HB3 PHE 58 7.739 3.126 -0.912 442 HD1 PHE 58 HD1 PHE 58 9.677 4.414 -3.839 443 HD2 PHE 58 HD2 PHE 58 9.540 3.794 0.357 444 HE1 PHE 58 HE1 PHE 58 11.880 5.592 -3.593 445 HE2 PHE 58 HE2 PHE 58 11.743 4.972 0.603 446 HZ PHE 58 HZ PHE 58 12.887 5.856 -1.375 447 H THR 59 H THR 59 5.719 1.992 -3.321 448 HA THR 59 HA THR 59 4.779 0.402 -1.174 449 HB THR 59 HB THR 59 3.642 1.443 -3.807 450 HG1 THR 59 HG1 THR 59 3.086 1.825 -0.950 451 HG21 THR 59 HG21 THR 59 1.401 0.856 -2.540 452 HG22 THR 59 HG22 THR 59 2.206 -0.430 -3.471 453 HG23 THR 59 HG23 THR 59 2.390 -0.363 -1.702 454 H ALA 60 H ALA 60 5.080 -0.325 -4.719 455 HA ALA 60 HA ALA 60 4.333 -2.940 -4.618 456 HB1 ALA 60 HB1 ALA 60 4.705 -2.416 -6.786 457 HB2 ALA 60 HB2 ALA 60 5.927 -1.191 -6.369 458 HB3 ALA 60 HB3 ALA 60 6.389 -2.906 -6.482 459 H PHE 61 H PHE 61 7.556 -1.494 -3.874 460 HA PHE 61 HA PHE 61 8.868 -3.941 -3.521 461 HB2 PHE 61 HB2 PHE 61 9.422 -1.191 -3.533 462 HB3 PHE 61 HB3 PHE 61 9.630 -1.576 -1.836 463 HD1 PHE 61 HD2 PHE 61 11.049 -3.865 -1.483 464 HD2 PHE 61 HD1 PHE 61 11.318 -1.267 -4.828 465 HE1 PHE 61 HE2 PHE 61 13.361 -4.718 -1.960 466 HE2 PHE 61 HE1 PHE 61 13.631 -2.120 -5.304 467 HZ PHE 61 HZ PHE 61 14.624 -3.835 -3.864 468 H PHE 62 H PHE 62 7.072 -1.769 -1.270 469 HA PHE 62 HA PHE 62 7.782 -3.186 1.053 470 HB2 PHE 62 HB2 PHE 62 6.527 -0.815 0.366 471 HB3 PHE 62 HB3 PHE 62 5.121 -1.780 0.770 472 HD1 PHE 62 HD1 PHE 62 8.180 -0.245 2.083 473 HD2 PHE 62 HD2 PHE 62 4.684 -2.447 3.050 474 HE1 PHE 62 HE1 PHE 62 8.546 0.244 4.518 475 HE2 PHE 62 HE2 PHE 62 5.050 -1.958 5.485 476 HZ PHE 62 HZ PHE 62 6.976 -0.619 6.190 477 H LEU 63 H LEU 63 4.550 -3.005 -0.617 478 HA LEU 63 HA LEU 63 3.292 -4.969 0.743 479 HB2 LEU 63 HB2 LEU 63 2.526 -3.392 -1.157 480 HB3 LEU 63 HB3 LEU 63 2.986 -4.696 -2.233 481 HG LEU 63 HG LEU 63 1.436 -6.093 -0.530 482 HD11 LEU 63 HD11 LEU 63 0.888 -4.219 0.900 483 HD12 LEU 63 HD12 LEU 63 0.286 -3.290 -0.493 484 HD13 LEU 63 HD13 LEU 63 -0.567 -4.762 0.030 485 HD21 LEU 63 HD21 LEU 63 -0.059 -6.265 -2.257 486 HD22 LEU 63 HD22 LEU 63 0.001 -4.527 -2.636 487 HD23 LEU 63 HD23 LEU 63 1.346 -5.589 -3.116 488 H ALA 64 H ALA 64 5.615 -5.345 -1.984 489 HA ALA 64 HA ALA 64 5.286 -8.099 -2.291 490 HB1 ALA 64 HB1 ALA 64 6.404 -6.548 -3.895 491 HB2 ALA 64 HB2 ALA 64 7.762 -6.388 -2.755 492 HB3 ALA 64 HB3 ALA 64 7.406 -7.965 -3.500 493 H THR 65 H THR 65 7.582 -6.150 -0.274 494 HA THR 65 HA THR 65 8.797 -8.472 0.848 495 HB THR 65 HB THR 65 9.520 -5.863 0.548 496 HG1 THR 65 HG1 THR 65 10.158 -7.583 2.839 497 HG21 THR 65 HG21 THR 65 9.262 -4.568 2.469 498 HG22 THR 65 HG22 THR 65 7.743 -5.489 2.582 499 HG23 THR 65 HG23 THR 65 9.162 -5.992 3.532 500 H ILE 66 H ILE 66 5.725 -7.089 1.253 501 HA ILE 66 HA ILE 66 5.574 -7.785 4.066 502 HB ILE 66 HB ILE 66 3.676 -6.489 2.119 503 HG12 ILE 66 HG12 ILE 66 5.679 -5.251 3.173 504 HG13 ILE 66 HG13 ILE 66 4.098 -4.496 3.231 505 HG21 ILE 66 HG21 ILE 66 2.417 -7.977 3.638 506 HG22 ILE 66 HG22 ILE 66 3.136 -7.133 5.030 507 HG23 ILE 66 HG23 ILE 66 2.068 -6.254 3.911 508 HD11 ILE 66 HD11 ILE 66 3.785 -5.027 5.534 509 HD12 ILE 66 HD12 ILE 66 5.073 -6.256 5.510 510 HD13 ILE 66 HD13 ILE 66 5.490 -4.528 5.422 511 H MET 67 H MET 67 3.476 -8.507 1.188 512 HA MET 67 HA MET 67 2.587 -10.885 2.410 513 HB2 MET 67 HB2 MET 67 2.250 -9.476 -0.251 514 HB3 MET 67 HB3 MET 67 1.777 -11.161 -0.170 515 HG2 MET 67 HG2 MET 67 -0.220 -10.024 0.405 516 HG3 MET 67 HG3 MET 67 0.426 -10.489 1.967 517 HE1 MET 67 HE1 MET 67 -0.579 -7.689 3.557 518 HE2 MET 67 HE2 MET 67 -1.522 -7.358 2.084 519 HE3 MET 67 HE3 MET 67 -1.277 -9.036 2.626 520 H GLY 68 H GLY 68 4.899 -10.090 -0.249 521 HA2 GLY 68 HA2 GLY 68 6.855 -11.367 -0.567 522 HA3 GLY 68 HA3 GLY 68 6.038 -12.786 0.058 523 H VAL 69 H VAL 69 4.133 -10.763 -2.072 524 HA VAL 69 HA VAL 69 3.415 -12.654 -3.825 525 HB VAL 69 HB VAL 69 3.984 -9.743 -4.416 526 HG11 VAL 69 HG11 VAL 69 2.130 -10.056 -6.119 527 HG12 VAL 69 HG12 VAL 69 3.681 -10.836 -6.510 528 HG13 VAL 69 HG13 VAL 69 2.327 -11.809 -5.888 529 HG21 VAL 69 HG21 VAL 69 1.429 -9.629 -4.007 530 HG22 VAL 69 HG22 VAL 69 1.645 -11.183 -3.166 531 HG23 VAL 69 HG23 VAL 69 2.511 -9.735 -2.597 532 H ARG 70 H ARG 70 5.922 -10.220 -4.809 533 HA ARG 70 HA ARG 70 6.891 -12.019 -6.746 534 HB2 ARG 70 HB2 ARG 70 7.001 -9.270 -6.358 535 HB3 ARG 70 HB3 ARG 70 8.644 -9.737 -5.966 536 HG2 ARG 70 HG2 ARG 70 8.545 -11.138 -8.190 537 HG3 ARG 70 HG3 ARG 70 7.146 -10.156 -8.575 538 HD2 ARG 70 HD2 ARG 70 8.453 -8.097 -8.445 539 HD3 ARG 70 HD3 ARG 70 9.832 -8.946 -7.775 540 HE ARG 70 HE ARG 70 9.201 -10.175 -10.265 541 HH11 ARG 70 HH22 ARG 70 10.396 -7.097 -9.050 542 HH12 ARG 70 HH21 ARG 70 11.293 -6.733 -10.486 543 HH21 ARG 70 HH12 ARG 70 10.384 -9.695 -12.161 544 HH22 ARG 70 HH11 ARG 70 11.286 -8.220 -12.268 545 H PHE 71 H PHE 71 7.789 -13.902 -5.818 546 HA PHE 71 HA PHE 71 10.168 -13.424 -4.178 547 HB2 PHE 71 HB2 PHE 71 7.738 -14.440 -3.264 548 HB3 PHE 71 HB3 PHE 71 8.527 -15.919 -3.776 549 HD1 PHE 71 HD2 PHE 71 10.795 -16.480 -2.783 550 HD2 PHE 71 HD1 PHE 71 8.307 -13.418 -1.222 551 HE1 PHE 71 HE2 PHE 71 12.061 -16.556 -0.617 552 HE2 PHE 71 HE1 PHE 71 9.573 -13.494 0.944 553 HZ PHE 71 HZ PHE 71 11.435 -15.062 1.221 554 H LYS 72 H LYS 72 8.301 -16.007 -5.938 555 HA LYS 72 HA LYS 72 10.887 -16.962 -6.949 556 HB2 LYS 72 HB2 LYS 72 8.744 -18.321 -5.657 557 HB3 LYS 72 HB3 LYS 72 8.768 -18.864 -7.322 558 HG2 LYS 72 HG2 LYS 72 10.371 -20.307 -6.499 559 HG3 LYS 72 HG3 LYS 72 11.430 -18.958 -6.863 560 HD2 LYS 72 HD2 LYS 72 10.291 -18.509 -4.246 561 HD3 LYS 72 HD3 LYS 72 10.883 -20.157 -4.298 562 HE2 LYS 72 HE2 LYS 72 12.757 -18.236 -5.546 563 HE3 LYS 72 HE3 LYS 72 12.441 -17.872 -3.861 564 HZ1 LYS 72 HZ1 LYS 72 14.263 -19.477 -4.298 565 HZ2 LYS 72 HZ2 LYS 72 13.135 -20.008 -3.244 566 HZ3 LYS 72 HZ3 LYS 72 13.146 -20.567 -4.778 567 H ARG 73 H ARG 73 10.492 -18.189 -9.189 568 HA ARG 73 HA ARG 73 9.488 -16.131 -10.877 569 HB2 ARG 73 HB2 ARG 73 11.285 -18.437 -11.102 570 HB3 ARG 73 HB3 ARG 73 10.166 -18.406 -12.450 571 HG2 ARG 73 HG2 ARG 73 10.770 -15.927 -12.760 572 HG3 ARG 73 HG3 ARG 73 12.039 -16.162 -11.573 573 HD2 ARG 73 HD2 ARG 73 13.002 -18.004 -13.007 574 HD3 ARG 73 HD3 ARG 73 11.764 -17.691 -14.207 575 HE ARG 73 HE ARG 73 12.856 -15.684 -14.818 576 HH11 ARG 73 HH22 ARG 73 14.318 -17.048 -11.923 577 HH12 ARG 73 HH21 ARG 73 15.695 -15.998 -11.968 578 HH21 ARG 73 HH12 ARG 73 14.672 -14.298 -14.878 579 HH22 ARG 73 HH11 ARG 73 15.897 -14.423 -13.661 580 H SER 74 H SER 74 7.184 -16.150 -10.602 581 HA SER 74 HA SER 74 5.872 -18.670 -11.146 582 HB2 SER 74 HB2 SER 74 5.168 -17.312 -9.168 583 HB3 SER 74 HB3 SER 74 4.723 -15.995 -10.234 584 HG SER 74 HG SER 74 2.904 -17.377 -9.599 585 H LYS 75 H LYS 75 3.700 -18.356 -12.516 586 HA LYS 75 HA LYS 75 4.563 -17.167 -15.010 587 HB2 LYS 75 HB2 LYS 75 3.115 -19.460 -14.294 588 HB3 LYS 75 HB3 LYS 75 1.927 -18.397 -15.022 589 HG2 LYS 75 HG2 LYS 75 2.722 -19.206 -17.007 590 HG3 LYS 75 HG3 LYS 75 4.026 -18.060 -16.771 591 HD2 LYS 75 HD2 LYS 75 4.394 -20.653 -15.348 592 HD3 LYS 75 HD3 LYS 75 4.370 -20.783 -17.096 593 HE2 LYS 75 HE2 LYS 75 6.475 -19.948 -17.228 594 HE3 LYS 75 HE3 LYS 75 5.983 -18.487 -16.395 595 HZ1 LYS 75 HZ1 LYS 75 6.551 -19.376 -14.376 596 HZ2 LYS 75 HZ2 LYS 75 6.457 -20.929 -14.873 597 HZ3 LYS 75 HZ3 LYS 75 7.718 -19.998 -15.333 598 H LYS 76 H LYS 76 4.383 -15.063 -13.432 599 HA LYS 76 HA LYS 76 3.265 -13.220 -12.863 600 HB2 LYS 76 HB2 LYS 76 2.222 -12.080 -14.772 601 HB3 LYS 76 HB3 LYS 76 3.752 -12.818 -15.203 602 HG2 LYS 76 HG2 LYS 76 2.576 -14.754 -16.208 603 HG3 LYS 76 HG3 LYS 76 1.028 -14.111 -15.697 604 HD2 LYS 76 HD2 LYS 76 0.925 -13.030 -17.690 605 HD3 LYS 76 HD3 LYS 76 2.185 -11.967 -17.097 606 HE2 LYS 76 HE2 LYS 76 3.841 -12.997 -18.341 607 HE3 LYS 76 HE3 LYS 76 3.145 -14.594 -18.149 608 HZ1 LYS 76 HZ1 LYS 76 2.526 -12.564 -20.116 609 HZ2 LYS 76 HZ2 LYS 76 2.658 -14.182 -20.298 610 HZ3 LYS 76 HZ3 LYS 76 1.306 -13.541 -19.642 611 H ILE 77 H ILE 77 2.096 -15.145 -11.458 612 HA ILE 77 HA ILE 77 -0.764 -15.015 -12.044 613 HB ILE 77 HB ILE 77 0.998 -16.868 -10.498 614 HG12 ILE 77 HG12 ILE 77 -1.333 -17.759 -12.117 615 HG13 ILE 77 HG13 ILE 77 -0.019 -17.003 -12.996 616 HG21 ILE 77 HG21 ILE 77 -1.320 -17.884 -9.753 617 HG22 ILE 77 HG22 ILE 77 -0.498 -16.641 -8.781 618 HG23 ILE 77 HG23 ILE 77 -1.842 -16.186 -9.856 619 HD11 ILE 77 HD11 ILE 77 1.158 -18.794 -11.077 620 HD12 ILE 77 HD12 ILE 77 -0.138 -19.669 -11.926 621 HD13 ILE 77 HD13 ILE 77 1.180 -18.914 -12.853 622 H MET 78 H MET 78 1.110 -15.150 -8.946 623 HA MET 78 HA MET 78 -0.772 -13.474 -7.707 624 HB2 MET 78 HB2 MET 78 1.278 -15.238 -6.932 625 HB3 MET 78 HB3 MET 78 1.920 -13.680 -6.449 626 HG2 MET 78 HG2 MET 78 -0.395 -13.251 -5.337 627 HG3 MET 78 HG3 MET 78 -0.704 -14.960 -5.574 628 HE1 MET 78 HE1 MET 78 -0.877 -16.005 -3.874 629 HE2 MET 78 HE2 MET 78 0.525 -16.723 -3.045 630 HE3 MET 78 HE3 MET 78 -0.393 -15.412 -2.267 631 HA PRO 79 HA PRO 79 2.704 -10.269 -8.156 632 HB2 PRO 79 HB2 PRO 79 4.813 -10.778 -9.817 633 HB3 PRO 79 HB3 PRO 79 4.868 -11.053 -8.088 634 HG2 PRO 79 HG2 PRO 79 4.622 -13.029 -10.273 635 HG3 PRO 79 HG3 PRO 79 5.099 -13.289 -8.607 636 HD2 PRO 79 HD2 PRO 79 2.552 -13.897 -9.776 637 HD3 PRO 79 HD3 PRO 79 2.992 -14.048 -8.087 638 H ALA 80 H ALA 80 4.014 -9.112 -10.339 639 HA ALA 80 HA ALA 80 3.648 -8.328 -12.415 640 HB1 ALA 80 HB1 ALA 80 2.332 -10.637 -12.676 641 HB2 ALA 80 HB2 ALA 80 0.920 -9.553 -12.659 642 HB3 ALA 80 HB3 ALA 80 2.189 -9.342 -13.889 643 H GLY 81 H GLY 81 0.460 -8.630 -10.682 644 HA2 GLY 81 HA2 GLY 81 -0.523 -6.128 -11.376 645 HA3 GLY 81 HA3 GLY 81 -0.987 -7.066 -9.970 646 H LEU 82 H LEU 82 1.952 -7.069 -9.019 647 HA LEU 82 HA LEU 82 1.731 -4.889 -7.295 648 HB2 LEU 82 HB2 LEU 82 2.966 -6.977 -6.858 649 HB3 LEU 82 HB3 LEU 82 4.168 -6.510 -8.044 650 HG LEU 82 HG LEU 82 4.096 -4.319 -6.343 651 HD11 LEU 82 HD11 LEU 82 4.579 -5.757 -4.124 652 HD12 LEU 82 HD12 LEU 82 2.991 -5.051 -4.511 653 HD13 LEU 82 HD13 LEU 82 3.311 -6.767 -4.860 654 HD21 LEU 82 HD21 LEU 82 6.006 -5.727 -7.431 655 HD22 LEU 82 HD22 LEU 82 6.311 -4.817 -5.932 656 HD23 LEU 82 HD23 LEU 82 6.021 -6.572 -5.865 657 H VAL 83 H VAL 83 4.584 -5.270 -9.463 658 HA VAL 83 HA VAL 83 5.094 -2.559 -9.587 659 HB VAL 83 HB VAL 83 6.319 -3.326 -11.764 660 HG11 VAL 83 HG11 VAL 83 6.879 -3.603 -8.929 661 HG12 VAL 83 HG12 VAL 83 7.734 -4.845 -9.876 662 HG13 VAL 83 HG13 VAL 83 7.958 -3.121 -10.261 663 HG21 VAL 83 HG21 VAL 83 6.189 -5.466 -12.409 664 HG22 VAL 83 HG22 VAL 83 6.384 -6.062 -10.743 665 HG23 VAL 83 HG23 VAL 83 4.772 -5.599 -11.340 666 H ALA 84 H ALA 84 3.176 -4.687 -11.788 667 HA ALA 84 HA ALA 84 2.678 -2.828 -13.766 668 HB1 ALA 84 HB1 ALA 84 2.180 -5.296 -13.785 669 HB2 ALA 84 HB2 ALA 84 0.783 -4.972 -12.730 670 HB3 ALA 84 HB3 ALA 84 0.838 -4.284 -14.371 671 H GLY 85 H GLY 85 1.353 -3.163 -10.486 672 HA2 GLY 85 HA2 GLY 85 -0.914 -1.477 -10.904 673 HA3 GLY 85 HA3 GLY 85 -0.240 -2.008 -9.375 674 H LEU 86 H LEU 86 2.390 -1.033 -9.457 675 HA LEU 86 HA LEU 86 2.063 1.577 -8.641 676 HB2 LEU 86 HB2 LEU 86 4.240 1.485 -8.129 677 HB3 LEU 86 HB3 LEU 86 3.995 -0.226 -8.415 678 HG LEU 86 HG LEU 86 4.743 0.318 -10.858 679 HD11 LEU 86 HD11 LEU 86 4.735 2.880 -10.024 680 HD12 LEU 86 HD12 LEU 86 6.432 2.458 -9.695 681 HD13 LEU 86 HD13 LEU 86 5.771 2.270 -11.337 682 HD21 LEU 86 HD21 LEU 86 5.954 -0.873 -8.810 683 HD22 LEU 86 HD22 LEU 86 6.787 -0.544 -10.348 684 HD23 LEU 86 HD23 LEU 86 7.028 0.538 -8.956 685 H SER 87 H SER 87 2.968 0.242 -11.862 686 HA SER 87 HA SER 87 3.492 2.750 -12.976 687 HB2 SER 87 HB2 SER 87 2.779 0.054 -14.198 688 HB3 SER 87 HB3 SER 87 3.162 1.455 -15.179 689 HG SER 87 HG SER 87 5.044 0.134 -14.809 690 H LEU 88 H LEU 88 0.628 0.514 -13.178 691 HA LEU 88 HA LEU 88 -0.959 2.130 -14.751 692 HB2 LEU 88 HB2 LEU 88 -1.214 -0.247 -13.153 693 HB3 LEU 88 HB3 LEU 88 -2.624 0.769 -12.922 694 HG LEU 88 HG LEU 88 -2.968 -0.869 -14.700 695 HD11 LEU 88 HD11 LEU 88 -2.826 1.975 -15.737 696 HD12 LEU 88 HD12 LEU 88 -3.773 0.649 -16.452 697 HD13 LEU 88 HD13 LEU 88 -4.168 1.247 -14.823 698 HD21 LEU 88 HD21 LEU 88 -0.830 -1.300 -15.571 699 HD22 LEU 88 HD22 LEU 88 -1.711 -0.496 -16.892 700 HD23 LEU 88 HD23 LEU 88 -0.529 0.418 -15.925 701 H MET 89 H MET 89 0.049 2.485 -11.411 702 HA MET 89 HA MET 89 -2.117 4.152 -10.681 703 HB2 MET 89 HB2 MET 89 -0.654 2.790 -9.095 704 HB3 MET 89 HB3 MET 89 0.683 3.864 -9.454 705 HG2 MET 89 HG2 MET 89 -1.573 5.513 -8.745 706 HG3 MET 89 HG3 MET 89 -1.460 4.241 -7.545 707 HE1 MET 89 HE1 MET 89 -0.147 6.978 -9.397 708 HE2 MET 89 HE2 MET 89 0.498 7.944 -8.048 709 HE3 MET 89 HE3 MET 89 1.607 7.037 -9.104 710 H MET 90 H MET 90 1.434 4.827 -11.154 711 HA MET 90 HA MET 90 1.194 7.552 -11.056 712 HB2 MET 90 HB2 MET 90 3.453 7.553 -11.905 713 HB3 MET 90 HB3 MET 90 3.300 6.021 -11.069 714 HG2 MET 90 HG2 MET 90 3.982 5.032 -13.005 715 HG3 MET 90 HG3 MET 90 2.397 5.408 -13.651 716 HE1 MET 90 HE1 MET 90 5.806 5.981 -15.630 717 HE2 MET 90 HE2 MET 90 4.550 4.798 -15.193 718 HE3 MET 90 HE3 MET 90 4.265 5.949 -16.521 719 H ILE 91 H ILE 91 0.219 5.324 -13.559 720 HA ILE 91 HA ILE 91 0.302 7.338 -15.633 721 HB ILE 91 HB ILE 91 -0.296 4.420 -15.468 722 HG12 ILE 91 HG12 ILE 91 1.329 5.893 -17.537 723 HG13 ILE 91 HG13 ILE 91 1.989 5.549 -15.951 724 HG21 ILE 91 HG21 ILE 91 -2.134 4.819 -16.763 725 HG22 ILE 91 HG22 ILE 91 -1.476 6.328 -17.439 726 HG23 ILE 91 HG23 ILE 91 -0.883 4.757 -18.028 727 HD11 ILE 91 HD11 ILE 91 2.615 3.568 -16.919 728 HD12 ILE 91 HD12 ILE 91 0.934 3.092 -16.577 729 HD13 ILE 91 HD13 ILE 91 1.379 3.689 -18.194 730 H LEU 92 H LEU 92 -2.055 5.651 -13.508 731 HA LEU 92 HA LEU 92 -4.338 6.720 -14.746 732 HB2 LEU 92 HB2 LEU 92 -4.947 4.971 -13.493 733 HB3 LEU 92 HB3 LEU 92 -3.659 5.204 -12.327 734 HG LEU 92 HG LEU 92 -6.124 6.954 -12.386 735 HD11 LEU 92 HD11 LEU 92 -5.995 4.885 -10.299 736 HD12 LEU 92 HD12 LEU 92 -7.371 5.469 -11.264 737 HD13 LEU 92 HD13 LEU 92 -6.255 4.262 -11.946 738 HD21 LEU 92 HD21 LEU 92 -4.838 6.509 -9.819 739 HD22 LEU 92 HD22 LEU 92 -3.711 7.188 -11.017 740 HD23 LEU 92 HD23 LEU 92 -5.236 8.030 -10.654 741 H ARG 93 H ARG 93 -1.955 8.007 -12.481 742 HA ARG 93 HA ARG 93 -3.696 10.156 -11.745 743 HB2 ARG 93 HB2 ARG 93 -1.083 9.068 -10.863 744 HB3 ARG 93 HB3 ARG 93 -1.112 10.820 -10.871 745 HG2 ARG 93 HG2 ARG 93 -3.483 9.394 -9.676 746 HG3 ARG 93 HG3 ARG 93 -1.989 9.387 -8.760 747 HD2 ARG 93 HD2 ARG 93 -1.979 11.733 -8.486 748 HD3 ARG 93 HD3 ARG 93 -2.962 12.011 -9.910 749 HE ARG 93 HE ARG 93 -4.926 11.526 -8.658 750 HH11 ARG 93 HH22 ARG 93 -2.027 10.954 -6.747 751 HH12 ARG 93 HH21 ARG 93 -2.884 10.844 -5.246 752 HH21 ARG 93 HH12 ARG 93 -6.057 11.382 -6.678 753 HH22 ARG 93 HH11 ARG 93 -5.192 11.089 -5.206 754 H LEU 94 H LEU 94 -0.608 9.644 -13.584 755 HA LEU 94 HA LEU 94 -0.295 12.332 -14.323 756 HB2 LEU 94 HB2 LEU 94 1.433 10.507 -14.295 757 HB3 LEU 94 HB3 LEU 94 0.715 9.881 -15.766 758 HG LEU 94 HG LEU 94 1.189 12.622 -16.257 759 HD11 LEU 94 HD11 LEU 94 3.845 11.554 -15.484 760 HD12 LEU 94 HD12 LEU 94 3.215 13.219 -15.457 761 HD13 LEU 94 HD13 LEU 94 2.783 12.082 -14.156 762 HD21 LEU 94 HD21 LEU 94 1.471 11.409 -18.131 763 HD22 LEU 94 HD22 LEU 94 3.173 11.369 -17.612 764 HD23 LEU 94 HD23 LEU 94 2.101 9.994 -17.255 765 H VAL 95 H VAL 95 -2.596 9.943 -15.249 766 HA VAL 95 HA VAL 95 -2.967 10.860 -17.927 767 HB VAL 95 HB VAL 95 -4.264 8.950 -16.043 768 HG11 VAL 95 HG11 VAL 95 -6.271 9.904 -16.756 769 HG12 VAL 95 HG12 VAL 95 -5.642 10.259 -18.383 770 HG13 VAL 95 HG13 VAL 95 -6.020 8.582 -17.921 771 HG21 VAL 95 HG21 VAL 95 -3.875 8.332 -18.917 772 HG22 VAL 95 HG22 VAL 95 -2.394 8.673 -17.991 773 HG23 VAL 95 HG23 VAL 95 -3.489 7.370 -17.470 774 H LEU 96 H LEU 96 -5.050 11.048 -14.946 775 HA LEU 96 HA LEU 96 -6.851 12.856 -15.962 776 HB2 LEU 96 HB2 LEU 96 -7.670 13.017 -13.835 777 HB3 LEU 96 HB3 LEU 96 -6.842 11.472 -13.795 778 HG LEU 96 HG LEU 96 -4.995 13.513 -12.980 779 HD11 LEU 96 HD11 LEU 96 -7.305 14.625 -12.477 780 HD12 LEU 96 HD12 LEU 96 -7.347 13.476 -11.118 781 HD13 LEU 96 HD13 LEU 96 -6.014 14.648 -11.251 782 HD21 LEU 96 HD21 LEU 96 -6.148 11.649 -10.981 783 HD22 LEU 96 HD22 LEU 96 -5.416 10.914 -12.428 784 HD23 LEU 96 HD23 LEU 96 -4.452 11.997 -11.395 785 H LEU 97 H LEU 97 -3.556 13.344 -14.716 786 HA LEU 97 HA LEU 97 -2.386 15.213 -14.333 787 HB2 LEU 97 HB2 LEU 97 -2.515 14.707 -16.872 788 HB3 LEU 97 HB3 LEU 97 -3.491 16.159 -16.960 789 HG LEU 97 HG LEU 97 -0.779 16.214 -15.648 790 HD11 LEU 97 HD11 LEU 97 0.292 15.829 -17.548 791 HD12 LEU 97 HD12 LEU 97 -1.255 15.554 -18.384 792 HD13 LEU 97 HD13 LEU 97 -0.563 17.192 -18.309 793 HD21 LEU 97 HD21 LEU 97 -0.943 18.597 -16.669 794 HD22 LEU 97 HD22 LEU 97 -2.682 18.239 -16.793 795 HD23 LEU 97 HD23 LEU 97 -1.877 18.205 -15.206 796 H LEU 98 H LEU 98 -4.442 15.467 -12.681 797 HA LEU 98 HA LEU 98 -6.024 16.807 -11.815 798 HB2 LEU 98 HB2 LEU 98 -4.189 19.099 -12.326 799 HB3 LEU 98 HB3 LEU 98 -5.064 18.660 -10.872 800 HG LEU 98 HG LEU 98 -3.202 16.570 -11.370 801 HD11 LEU 98 HD11 LEU 98 -2.192 18.597 -12.759 802 HD12 LEU 98 HD12 LEU 98 -1.614 19.084 -11.148 803 HD13 LEU 98 HD13 LEU 98 -1.167 17.493 -11.810 804 HD21 LEU 98 HD21 LEU 98 -2.381 17.114 -9.198 805 HD22 LEU 98 HD22 LEU 98 -3.015 18.774 -9.305 806 HD23 LEU 98 HD23 LEU 98 -4.139 17.398 -9.194 807 H LEU 99 H LEU 99 -6.623 16.290 -14.535 808 HA LEU 99 HA LEU 99 -6.963 18.322 -16.247 809 HB2 LEU 99 HB2 LEU 99 -8.092 15.767 -15.800 810 HB3 LEU 99 HB3 LEU 99 -9.428 16.860 -16.106 811 HG LEU 99 HG LEU 99 -7.017 16.595 -17.921 812 HD11 LEU 99 HD11 LEU 99 -9.711 15.222 -18.042 813 HD12 LEU 99 HD12 LEU 99 -8.593 15.337 -19.422 814 HD13 LEU 99 HD13 LEU 99 -8.099 14.473 -17.946 815 HD21 LEU 99 HD21 LEU 99 -8.589 18.715 -17.834 816 HD22 LEU 99 HD22 LEU 99 -8.024 18.040 -19.381 817 HD23 LEU 99 HD23 LEU 99 -9.665 17.674 -18.796 Start of MODEL 16 1 H MET 1 H1 MET 1 -28.025 20.006 -3.034 2 HA MET 1 HA MET 1 -28.286 22.219 -2.217 3 HB2 MET 1 HB2 MET 1 -29.173 22.558 -5.072 4 HB3 MET 1 HB3 MET 1 -30.070 23.498 -3.895 5 HG2 MET 1 HG2 MET 1 -28.382 25.022 -3.989 6 HG3 MET 1 HG3 MET 1 -27.404 23.872 -3.099 7 HE1 MET 1 HE1 MET 1 -24.560 23.567 -5.173 8 HE2 MET 1 HE2 MET 1 -25.099 25.223 -4.804 9 HE3 MET 1 HE3 MET 1 -25.368 23.915 -3.626 10 H ASP 2 H ASP 2 -29.557 21.418 -0.569 11 HA ASP 2 HA ASP 2 -32.361 21.370 -1.065 12 HB2 ASP 2 HB2 ASP 2 -30.760 18.870 -0.558 13 HB3 ASP 2 HB3 ASP 2 -32.302 19.008 0.263 14 H LEU 3 H LEU 3 -33.549 21.498 1.008 15 HA LEU 3 HA LEU 3 -32.316 22.897 2.998 16 HB2 LEU 3 HB2 LEU 3 -34.829 21.326 2.757 17 HB3 LEU 3 HB3 LEU 3 -34.327 21.800 4.368 18 HG LEU 3 HG LEU 3 -34.445 23.869 2.193 19 HD11 LEU 3 HD11 LEU 3 -36.895 23.561 3.819 20 HD12 LEU 3 HD12 LEU 3 -36.689 24.031 2.114 21 HD13 LEU 3 HD13 LEU 3 -36.629 22.314 2.577 22 HD21 LEU 3 HD21 LEU 3 -33.852 23.871 4.950 23 HD22 LEU 3 HD22 LEU 3 -34.023 25.268 3.860 24 HD23 LEU 3 HD23 LEU 3 -35.431 24.674 4.772 25 H ILE 4 H ILE 4 -33.242 19.383 3.197 26 HA ILE 4 HA ILE 4 -32.007 18.810 5.545 27 HB ILE 4 HB ILE 4 -33.336 17.152 4.683 28 HG12 ILE 4 HG12 ILE 4 -30.962 15.699 3.742 29 HG13 ILE 4 HG13 ILE 4 -30.711 16.520 5.270 30 HG21 ILE 4 HG21 ILE 4 -33.790 17.284 2.502 31 HG22 ILE 4 HG22 ILE 4 -32.189 17.958 2.115 32 HG23 ILE 4 HG23 ILE 4 -32.400 16.198 2.270 33 HD11 ILE 4 HD11 ILE 4 -32.241 15.208 6.396 34 HD12 ILE 4 HD12 ILE 4 -33.308 15.055 4.980 35 HD13 ILE 4 HD13 ILE 4 -31.837 14.060 5.097 36 H GLY 5 H GLY 5 -30.380 17.333 2.748 37 HA2 GLY 5 HA2 GLY 5 -28.244 17.480 2.006 38 HA3 GLY 5 HA3 GLY 5 -28.006 18.926 2.967 39 H PHE 6 H PHE 6 -28.314 18.283 5.561 40 HA PHE 6 HA PHE 6 -26.002 16.921 6.200 41 HB2 PHE 6 HB2 PHE 6 -27.689 18.545 7.495 42 HB3 PHE 6 HB3 PHE 6 -28.505 17.065 7.956 43 HD1 PHE 6 HD1 PHE 6 -25.220 18.786 8.119 44 HD2 PHE 6 HD2 PHE 6 -27.738 15.797 9.772 45 HE1 PHE 6 HE1 PHE 6 -23.624 18.502 10.035 46 HE2 PHE 6 HE2 PHE 6 -26.142 15.512 11.688 47 HZ PHE 6 HZ PHE 6 -24.104 16.868 11.796 48 H GLY 7 H GLY 7 -29.443 15.794 6.589 49 HA2 GLY 7 HA2 GLY 7 -29.027 13.287 7.550 50 HA3 GLY 7 HA3 GLY 7 -30.320 13.720 6.450 51 H TYR 8 H TYR 8 -29.132 14.229 4.034 52 HA TYR 8 HA TYR 8 -28.737 11.783 2.921 53 HB2 TYR 8 HB2 TYR 8 -29.010 14.252 1.990 54 HB3 TYR 8 HB3 TYR 8 -27.266 14.360 2.123 55 HD1 TYR 8 HD2 TYR 8 -25.804 13.017 0.652 56 HD2 TYR 8 HD1 TYR 8 -30.062 12.917 0.252 57 HE1 TYR 8 HE2 TYR 8 -25.570 11.956 -1.647 58 HE2 TYR 8 HE1 TYR 8 -29.814 11.856 -2.045 59 HH TYR 8 HH TYR 8 -28.144 10.496 -3.226 60 H ALA 9 H ALA 9 -26.161 14.095 4.025 61 HA ALA 9 HA ALA 9 -24.062 12.321 3.351 62 HB1 ALA 9 HB1 ALA 9 -23.325 14.207 5.401 63 HB2 ALA 9 HB2 ALA 9 -22.915 14.224 3.669 64 HB3 ALA 9 HB3 ALA 9 -24.407 15.009 4.238 65 H ALA 10 H ALA 10 -26.191 12.774 6.153 66 HA ALA 10 HA ALA 10 -24.593 11.489 8.058 67 HB1 ALA 10 HB1 ALA 10 -26.367 11.925 9.400 68 HB2 ALA 10 HB2 ALA 10 -27.010 12.817 8.000 69 HB3 ALA 10 HB3 ALA 10 -27.517 11.137 8.294 70 H LEU 11 H LEU 11 -27.471 10.195 6.239 71 HA LEU 11 HA LEU 11 -27.078 7.564 6.996 72 HB2 LEU 11 HB2 LEU 11 -28.659 7.011 5.341 73 HB3 LEU 11 HB3 LEU 11 -29.123 8.562 6.010 74 HG LEU 11 HG LEU 11 -27.723 9.455 3.905 75 HD11 LEU 11 HD11 LEU 11 -27.130 7.136 3.203 76 HD12 LEU 11 HD12 LEU 11 -28.856 6.839 2.882 77 HD13 LEU 11 HD13 LEU 11 -27.979 8.081 1.956 78 HD21 LEU 11 HD21 LEU 11 -30.536 8.469 3.459 79 HD22 LEU 11 HD22 LEU 11 -30.175 9.783 4.604 80 HD23 LEU 11 HD23 LEU 11 -29.760 9.964 2.882 81 H VAL 12 H VAL 12 -25.775 9.435 4.204 82 HA VAL 12 HA VAL 12 -24.619 7.343 2.837 83 HB VAL 12 HB VAL 12 -23.925 10.252 3.171 84 HG11 VAL 12 HG11 VAL 12 -21.880 9.894 2.345 85 HG12 VAL 12 HG12 VAL 12 -22.217 8.163 2.102 86 HG13 VAL 12 HG13 VAL 12 -22.652 9.341 0.840 87 HG21 VAL 12 HG21 VAL 12 -25.164 10.615 1.295 88 HG22 VAL 12 HG22 VAL 12 -24.733 9.048 0.570 89 HG23 VAL 12 HG23 VAL 12 -25.975 9.127 1.842 90 H THR 13 H THR 13 -23.292 9.345 5.547 91 HA THR 13 HA THR 13 -20.794 8.061 5.614 92 HB THR 13 HB THR 13 -22.440 9.617 7.673 93 HG1 THR 13 HG1 THR 13 -21.172 11.300 6.765 94 HG21 THR 13 HG21 THR 13 -20.276 8.055 8.358 95 HG22 THR 13 HG22 THR 13 -19.452 9.533 7.805 96 HG23 THR 13 HG23 THR 13 -20.639 9.618 9.129 97 H PHE 14 H PHE 14 -23.958 7.271 7.080 98 HA PHE 14 HA PHE 14 -22.985 5.345 8.856 99 HB2 PHE 14 HB2 PHE 14 -25.332 6.558 8.494 100 HB3 PHE 14 HB3 PHE 14 -25.648 5.273 7.345 101 HD1 PHE 14 HD1 PHE 14 -24.344 5.579 10.840 102 HD2 PHE 14 HD2 PHE 14 -26.878 3.505 8.141 103 HE1 PHE 14 HE1 PHE 14 -25.126 4.099 12.711 104 HE2 PHE 14 HE2 PHE 14 -27.660 2.025 10.012 105 HZ PHE 14 HZ PHE 14 -26.774 2.340 12.274 106 H GLY 15 H GLY 15 -24.416 5.027 5.529 107 HA2 GLY 15 HA2 GLY 15 -24.103 2.234 5.365 108 HA3 GLY 15 HA3 GLY 15 -24.328 3.351 4.033 109 H SER 16 H SER 16 -21.877 4.970 4.883 110 HA SER 16 HA SER 16 -20.063 3.561 3.280 111 HB2 SER 16 HB2 SER 16 -20.368 6.198 4.243 112 HB3 SER 16 HB3 SER 16 -18.845 5.662 4.923 113 HG SER 16 HG SER 16 -19.227 6.559 2.468 114 H ILE 17 H ILE 17 -20.192 4.357 6.821 115 HA ILE 17 HA ILE 17 -17.814 2.966 7.429 116 HB ILE 17 HB ILE 17 -20.129 3.916 9.113 117 HG12 ILE 17 HG12 ILE 17 -18.965 5.746 8.097 118 HG13 ILE 17 HG13 ILE 17 -18.511 5.677 9.788 119 HG21 ILE 17 HG21 ILE 17 -18.339 3.676 10.978 120 HG22 ILE 17 HG22 ILE 17 -19.259 2.243 10.460 121 HG23 ILE 17 HG23 ILE 17 -17.596 2.490 9.878 122 HD11 ILE 17 HD11 ILE 17 -16.874 4.987 7.350 123 HD12 ILE 17 HD12 ILE 17 -16.416 5.930 8.789 124 HD13 ILE 17 HD13 ILE 17 -16.516 4.156 8.883 125 H PHE 18 H PHE 18 -21.249 2.141 8.298 126 HA PHE 18 HA PHE 18 -20.779 -0.412 9.110 127 HB2 PHE 18 HB2 PHE 18 -22.928 1.251 8.774 128 HB3 PHE 18 HB3 PHE 18 -23.184 0.234 7.370 129 HD1 PHE 18 HD1 PHE 18 -22.713 -2.425 8.102 130 HD2 PHE 18 HD2 PHE 18 -24.270 0.677 10.543 131 HE1 PHE 18 HE1 PHE 18 -23.850 -4.133 9.547 132 HE2 PHE 18 HE2 PHE 18 -25.407 -1.032 11.989 133 HZ PHE 18 HZ PHE 18 -25.183 -3.416 11.473 134 H GLY 19 H GLY 19 -21.332 0.796 5.753 135 HA2 GLY 19 HA2 GLY 19 -21.472 -1.731 4.516 136 HA3 GLY 19 HA3 GLY 19 -21.097 -0.200 3.750 137 H TYR 20 H TYR 20 -18.793 0.665 4.072 138 HA TYR 20 HA TYR 20 -16.625 0.376 3.699 139 HB2 TYR 20 HB2 TYR 20 -17.452 -1.015 6.109 140 HB3 TYR 20 HB3 TYR 20 -16.256 -2.037 5.338 141 HD1 TYR 20 HD2 TYR 20 -16.808 1.468 6.517 142 HD2 TYR 20 HD1 TYR 20 -13.963 -1.597 5.608 143 HE1 TYR 20 HE2 TYR 20 -14.945 2.896 7.493 144 HE2 TYR 20 HE1 TYR 20 -12.111 -0.157 6.588 145 HH TYR 20 HH TYR 20 -12.167 1.809 8.474 146 H LYS 21 H LYS 21 -16.623 -0.272 1.511 147 HA LYS 21 HA LYS 21 -17.276 -2.757 0.557 148 HB2 LYS 21 HB2 LYS 21 -16.515 -0.438 -0.557 149 HB3 LYS 21 HB3 LYS 21 -15.001 -1.306 -0.717 150 HG2 LYS 21 HG2 LYS 21 -15.827 -2.655 -2.358 151 HG3 LYS 21 HG3 LYS 21 -17.282 -3.008 -1.449 152 HD2 LYS 21 HD2 LYS 21 -17.680 -0.347 -2.181 153 HD3 LYS 21 HD3 LYS 21 -16.832 -0.990 -3.574 154 HE2 LYS 21 HE2 LYS 21 -18.708 -2.057 -4.271 155 HE3 LYS 21 HE3 LYS 21 -18.805 -2.939 -2.760 156 HZ1 LYS 21 HZ1 LYS 21 -20.565 -1.116 -3.547 157 HZ2 LYS 21 HZ2 LYS 21 -20.337 -1.545 -1.988 158 HZ3 LYS 21 HZ3 LYS 21 -19.619 -0.203 -2.578 159 H ARG 22 H ARG 22 -16.468 -4.764 0.837 160 HA ARG 22 HA ARG 22 -13.653 -5.077 1.101 161 HB2 ARG 22 HB2 ARG 22 -15.450 -5.201 3.457 162 HB3 ARG 22 HB3 ARG 22 -14.493 -6.656 3.262 163 HG2 ARG 22 HG2 ARG 22 -12.428 -5.476 3.424 164 HG3 ARG 22 HG3 ARG 22 -13.169 -3.933 3.048 165 HD2 ARG 22 HD2 ARG 22 -13.830 -3.566 5.224 166 HD3 ARG 22 HD3 ARG 22 -14.281 -5.240 5.480 167 HE ARG 22 HE ARG 22 -11.502 -5.318 5.307 168 HH11 ARG 22 HH22 ARG 22 -13.816 -3.575 7.304 169 HH12 ARG 22 HH21 ARG 22 -12.751 -3.465 8.666 170 HH21 ARG 22 HH12 ARG 22 -10.097 -5.174 7.103 171 HH22 ARG 22 HH11 ARG 22 -10.621 -4.381 8.551 172 H ARG 23 H ARG 23 -13.911 -6.333 -0.845 173 HA ARG 23 HA ARG 23 -15.779 -8.490 -0.789 174 HB2 ARG 23 HB2 ARG 23 -14.513 -6.949 -2.801 175 HB3 ARG 23 HB3 ARG 23 -13.824 -8.549 -2.991 176 HG2 ARG 23 HG2 ARG 23 -16.698 -8.762 -2.533 177 HG3 ARG 23 HG3 ARG 23 -16.390 -7.652 -3.854 178 HD2 ARG 23 HD2 ARG 23 -16.354 -9.627 -5.066 179 HD3 ARG 23 HD3 ARG 23 -14.664 -9.591 -4.601 180 HE ARG 23 HE ARG 23 -16.023 -10.883 -2.490 181 HH11 ARG 23 HH22 ARG 23 -15.450 -11.430 -5.919 182 HH12 ARG 23 HH21 ARG 23 -15.537 -13.155 -5.789 183 HH21 ARG 23 HH12 ARG 23 -16.138 -13.159 -2.318 184 HH22 ARG 23 HH11 ARG 23 -15.931 -14.145 -3.727 185 H GLY 24 H GLY 24 -12.179 -8.137 -1.255 186 HA2 GLY 24 HA2 GLY 24 -11.303 -9.964 0.557 187 HA3 GLY 24 HA3 GLY 24 -11.726 -10.947 -0.832 188 H GLY 25 H GLY 25 -9.647 -11.533 -1.512 189 HA2 GLY 25 HA2 GLY 25 -8.275 -10.012 -3.297 190 HA3 GLY 25 HA3 GLY 25 -7.559 -9.567 -1.761 191 H VAL 26 H VAL 26 -8.735 -12.629 -3.349 192 HA VAL 26 HA VAL 26 -6.863 -14.236 -2.001 193 HB VAL 26 HB VAL 26 -8.950 -14.493 -4.027 194 HG11 VAL 26 HG11 VAL 26 -8.132 -16.634 -4.960 195 HG12 VAL 26 HG12 VAL 26 -7.119 -15.252 -5.443 196 HG13 VAL 26 HG13 VAL 26 -6.561 -16.363 -4.169 197 HG21 VAL 26 HG21 VAL 26 -8.338 -15.470 -1.457 198 HG22 VAL 26 HG22 VAL 26 -9.769 -15.841 -2.448 199 HG23 VAL 26 HG23 VAL 26 -8.334 -16.891 -2.529 200 HA PRO 27 HA PRO 27 -4.388 -13.790 -6.006 201 HB2 PRO 27 HB2 PRO 27 -5.125 -11.946 -7.883 202 HB3 PRO 27 HB3 PRO 27 -5.582 -13.635 -7.969 203 HG2 PRO 27 HG2 PRO 27 -7.237 -11.304 -7.219 204 HG3 PRO 27 HG3 PRO 27 -7.754 -12.902 -7.719 205 HD2 PRO 27 HD2 PRO 27 -7.731 -11.863 -5.045 206 HD3 PRO 27 HD3 PRO 27 -8.137 -13.497 -5.531 207 H SER 28 H SER 28 -2.970 -11.943 -7.240 208 HA SER 28 HA SER 28 -2.385 -10.179 -5.002 209 HB2 SER 28 HB2 SER 28 -0.659 -11.208 -7.292 210 HB3 SER 28 HB3 SER 28 -0.128 -9.938 -6.207 211 HG SER 28 HG SER 28 0.236 -12.471 -5.789 212 H LEU 29 H LEU 29 -3.181 -10.375 -8.468 213 HA LEU 29 HA LEU 29 -2.490 -7.866 -9.319 214 HB2 LEU 29 HB2 LEU 29 -4.642 -8.211 -10.779 215 HB3 LEU 29 HB3 LEU 29 -3.192 -9.164 -11.021 216 HG LEU 29 HG LEU 29 -5.074 -10.364 -9.104 217 HD11 LEU 29 HD11 LEU 29 -6.069 -9.378 -11.682 218 HD12 LEU 29 HD12 LEU 29 -6.335 -11.119 -11.423 219 HD13 LEU 29 HD13 LEU 29 -6.951 -9.939 -10.241 220 HD21 LEU 29 HD21 LEU 29 -4.182 -11.710 -11.609 221 HD22 LEU 29 HD22 LEU 29 -2.940 -11.271 -10.412 222 HD23 LEU 29 HD23 LEU 29 -4.293 -12.329 -9.944 223 H ILE 30 H ILE 30 -5.753 -8.852 -8.042 224 HA ILE 30 HA ILE 30 -6.800 -6.314 -7.925 225 HB ILE 30 HB ILE 30 -7.920 -8.571 -7.641 226 HG12 ILE 30 HG12 ILE 30 -9.045 -6.359 -7.441 227 HG13 ILE 30 HG13 ILE 30 -9.787 -7.625 -6.483 228 HG21 ILE 30 HG21 ILE 30 -8.079 -8.571 -4.808 229 HG22 ILE 30 HG22 ILE 30 -7.427 -9.829 -5.885 230 HG23 ILE 30 HG23 ILE 30 -6.354 -8.561 -5.246 231 HD11 ILE 30 HD11 ILE 30 -8.467 -5.137 -5.602 232 HD12 ILE 30 HD12 ILE 30 -9.640 -6.164 -4.744 233 HD13 ILE 30 HD13 ILE 30 -7.908 -6.574 -4.713 234 H ALA 31 H ALA 31 -4.276 -7.775 -6.008 235 HA ALA 31 HA ALA 31 -4.616 -6.168 -3.700 236 HB1 ALA 31 HB1 ALA 31 -2.875 -7.404 -2.916 237 HB2 ALA 31 HB2 ALA 31 -3.173 -8.400 -4.361 238 HB3 ALA 31 HB3 ALA 31 -1.903 -7.152 -4.386 239 H GLY 32 H GLY 32 -2.286 -6.034 -6.493 240 HA2 GLY 32 HA2 GLY 32 -1.113 -3.596 -5.774 241 HA3 GLY 32 HA3 GLY 32 -1.130 -4.319 -7.370 242 H LEU 33 H LEU 33 -4.003 -4.398 -7.790 243 HA LEU 33 HA LEU 33 -4.388 -1.859 -8.847 244 HB2 LEU 33 HB2 LEU 33 -5.537 -3.584 -9.866 245 HB3 LEU 33 HB3 LEU 33 -6.117 -4.249 -8.352 246 HG LEU 33 HG LEU 33 -7.255 -1.677 -8.513 247 HD11 LEU 33 HD11 LEU 33 -8.230 -2.874 -10.997 248 HD12 LEU 33 HD12 LEU 33 -7.810 -1.187 -10.617 249 HD13 LEU 33 HD13 LEU 33 -6.536 -2.335 -11.093 250 HD21 LEU 33 HD21 LEU 33 -9.195 -2.792 -8.133 251 HD22 LEU 33 HD22 LEU 33 -8.856 -4.039 -9.357 252 HD23 LEU 33 HD23 LEU 33 -8.060 -4.113 -7.766 253 H PHE 34 H PHE 34 -6.069 -3.388 -6.004 254 HA PHE 34 HA PHE 34 -7.457 -1.213 -5.172 255 HB2 PHE 34 HB2 PHE 34 -7.085 -3.741 -4.312 256 HB3 PHE 34 HB3 PHE 34 -5.917 -3.002 -3.235 257 HD1 PHE 34 HD2 PHE 34 -9.442 -2.408 -4.337 258 HD2 PHE 34 HD1 PHE 34 -6.664 -2.461 -1.130 259 HE1 PHE 34 HE2 PHE 34 -11.285 -1.837 -2.731 260 HE2 PHE 34 HE1 PHE 34 -8.506 -1.889 0.475 261 HZ PHE 34 HZ PHE 34 -10.795 -1.584 -0.344 262 H VAL 35 H VAL 35 -4.084 -2.130 -4.174 263 HA VAL 35 HA VAL 35 -3.647 -0.038 -2.446 264 HB VAL 35 HB VAL 35 -1.805 -1.574 -4.279 265 HG11 VAL 35 HG11 VAL 35 -1.197 0.586 -2.276 266 HG12 VAL 35 HG12 VAL 35 -0.052 -0.757 -2.510 267 HG13 VAL 35 HG13 VAL 35 -0.487 0.292 -3.881 268 HG21 VAL 35 HG21 VAL 35 -1.883 -1.848 -1.294 269 HG22 VAL 35 HG22 VAL 35 -3.179 -2.592 -2.261 270 HG23 VAL 35 HG23 VAL 35 -1.482 -3.052 -2.542 271 H GLY 36 H GLY 36 -3.447 -0.173 -6.030 272 HA2 GLY 36 HA2 GLY 36 -2.295 2.419 -6.319 273 HA3 GLY 36 HA3 GLY 36 -3.044 1.436 -7.562 274 H CYS 37 H CYS 37 -5.597 1.118 -5.947 275 HA CYS 37 HA CYS 37 -6.916 3.356 -7.015 276 HB2 CYS 37 HB2 CYS 37 -7.676 0.839 -6.185 277 HB3 CYS 37 HB3 CYS 37 -8.364 1.853 -4.932 278 HG CYS 37 HG CYS 37 -9.640 3.488 -6.456 279 H LEU 38 H LEU 38 -6.161 2.255 -3.629 280 HA LEU 38 HA LEU 38 -7.163 4.618 -2.447 281 HB2 LEU 38 HB2 LEU 38 -6.583 3.671 -0.449 282 HB3 LEU 38 HB3 LEU 38 -6.835 2.265 -1.464 283 HG LEU 38 HG LEU 38 -4.211 2.492 -1.845 284 HD11 LEU 38 HD11 LEU 38 -4.250 4.621 -0.399 285 HD12 LEU 38 HD12 LEU 38 -4.392 3.510 0.985 286 HD13 LEU 38 HD13 LEU 38 -2.978 3.414 -0.093 287 HD21 LEU 38 HD21 LEU 38 -5.299 1.318 0.723 288 HD22 LEU 38 HD22 LEU 38 -5.514 0.575 -0.880 289 HD23 LEU 38 HD23 LEU 38 -3.879 0.789 -0.210 290 H ALA 39 H ALA 39 -3.986 3.558 -3.699 291 HA ALA 39 HA ALA 39 -2.428 5.541 -2.538 292 HB1 ALA 39 HB1 ALA 39 -0.901 5.054 -4.475 293 HB2 ALA 39 HB2 ALA 39 -1.473 3.596 -3.630 294 HB3 ALA 39 HB3 ALA 39 -2.196 4.063 -5.188 295 H GLY 40 H GLY 40 -4.375 5.499 -5.580 296 HA2 GLY 40 HA2 GLY 40 -3.563 8.093 -6.421 297 HA3 GLY 40 HA3 GLY 40 -4.912 7.150 -7.021 298 H TYR 41 H TYR 41 -6.619 6.800 -4.919 299 HA TYR 41 HA TYR 41 -8.003 9.146 -4.753 300 HB2 TYR 41 HB2 TYR 41 -8.643 6.719 -4.138 301 HB3 TYR 41 HB3 TYR 41 -7.714 6.898 -2.663 302 HD1 TYR 41 HD2 TYR 41 -10.658 8.272 -4.497 303 HD2 TYR 41 HD1 TYR 41 -8.687 7.837 -0.724 304 HE1 TYR 41 HE2 TYR 41 -12.705 9.203 -3.311 305 HE2 TYR 41 HE1 TYR 41 -10.741 8.769 0.448 306 HH TYR 41 HH TYR 41 -13.534 9.893 -1.429 307 H GLY 42 H GLY 42 -5.258 8.033 -2.771 308 HA2 GLY 42 HA2 GLY 42 -5.652 10.094 -0.773 309 HA3 GLY 42 HA3 GLY 42 -4.359 8.915 -0.861 310 H ALA 43 H ALA 43 -3.164 9.268 -3.300 311 HA ALA 43 HA ALA 43 -1.496 11.385 -2.954 312 HB1 ALA 43 HB1 ALA 43 -0.657 10.841 -5.072 313 HB2 ALA 43 HB2 ALA 43 -1.472 9.335 -4.586 314 HB3 ALA 43 HB3 ALA 43 -2.268 10.452 -5.721 315 H TYR 44 H TYR 44 -4.776 11.339 -4.297 316 HA TYR 44 HA TYR 44 -4.992 13.457 -5.872 317 HB2 TYR 44 HB2 TYR 44 -6.586 11.931 -4.078 318 HB3 TYR 44 HB3 TYR 44 -6.836 13.575 -3.524 319 HD1 TYR 44 HD1 TYR 44 -6.394 12.236 -7.000 320 HD2 TYR 44 HD2 TYR 44 -8.981 14.187 -4.206 321 HE1 TYR 44 HE1 TYR 44 -8.116 12.597 -8.835 322 HE2 TYR 44 HE2 TYR 44 -10.694 14.541 -6.051 323 HH TYR 44 HH TYR 44 -10.059 13.371 -9.349 324 H ARG 45 H ARG 45 -5.339 13.879 -2.274 325 HA ARG 45 HA ARG 45 -4.795 16.655 -2.623 326 HB2 ARG 45 HB2 ARG 45 -6.423 15.419 -0.908 327 HB3 ARG 45 HB3 ARG 45 -4.981 15.290 0.080 328 HG2 ARG 45 HG2 ARG 45 -4.818 17.599 0.408 329 HG3 ARG 45 HG3 ARG 45 -5.587 17.984 -1.118 330 HD2 ARG 45 HD2 ARG 45 -7.590 18.217 -0.075 331 HD3 ARG 45 HD3 ARG 45 -7.517 16.556 0.477 332 HE ARG 45 HE ARG 45 -5.813 17.911 2.214 333 HH11 ARG 45 HH22 ARG 45 -9.182 18.267 1.263 334 HH12 ARG 45 HH21 ARG 45 -9.672 18.940 2.782 335 HH21 ARG 45 HH12 ARG 45 -6.459 18.799 4.218 336 HH22 ARG 45 HH11 ARG 45 -8.113 19.245 4.474 337 H VAL 46 H VAL 46 -3.027 13.732 -1.968 338 HA VAL 46 HA VAL 46 -0.843 13.397 -1.722 339 HB VAL 46 HB VAL 46 -0.956 16.101 -2.545 340 HG11 VAL 46 HG11 VAL 46 1.211 15.698 -0.461 341 HG12 VAL 46 HG12 VAL 46 0.870 17.166 -1.409 342 HG13 VAL 46 HG13 VAL 46 -0.288 16.615 -0.174 343 HG21 VAL 46 HG21 VAL 46 1.301 14.074 -2.454 344 HG22 VAL 46 HG22 VAL 46 0.162 14.366 -3.791 345 HG23 VAL 46 HG23 VAL 46 1.360 15.608 -3.355 346 H SER 47 H SER 47 -3.022 14.672 0.444 347 HA SER 47 HA SER 47 -1.140 14.816 2.625 348 HB2 SER 47 HB2 SER 47 -3.479 16.188 2.066 349 HB3 SER 47 HB3 SER 47 -4.044 14.998 3.221 350 HG SER 47 HG SER 47 -2.392 17.221 3.609 351 H ASN 48 H ASN 48 -2.207 12.313 0.965 352 HA ASN 48 HA ASN 48 -3.514 10.823 3.008 353 HB2 ASN 48 HB2 ASN 48 -4.093 10.352 0.678 354 HB3 ASN 48 HB3 ASN 48 -2.412 10.108 0.247 355 HD21 ASN 48 HD21 ASN 48 -1.943 8.087 -0.096 356 HD22 ASN 48 HD22 ASN 48 -2.538 6.703 0.758 357 H ASP 49 H ASP 49 -0.545 10.157 0.990 358 HA ASP 49 HA ASP 49 0.740 9.248 3.443 359 HB2 ASP 49 HB2 ASP 49 -0.002 7.636 1.272 360 HB3 ASP 49 HB3 ASP 49 1.685 7.977 0.942 361 H LYS 50 H LYS 50 0.662 11.752 1.490 362 HA LYS 50 HA LYS 50 2.112 13.311 0.892 363 HB2 LYS 50 HB2 LYS 50 3.708 11.662 2.706 364 HB3 LYS 50 HB3 LYS 50 4.690 12.449 1.488 365 HG2 LYS 50 HG2 LYS 50 3.273 14.600 2.080 366 HG3 LYS 50 HG3 LYS 50 2.854 13.725 3.540 367 HD2 LYS 50 HD2 LYS 50 5.303 13.416 4.035 368 HD3 LYS 50 HD3 LYS 50 5.696 14.340 2.598 369 HE2 LYS 50 HE2 LYS 50 5.367 16.312 3.681 370 HE3 LYS 50 HE3 LYS 50 3.773 15.820 4.218 371 HZ1 LYS 50 HZ1 LYS 50 4.698 15.734 6.209 372 HZ2 LYS 50 HZ2 LYS 50 5.440 14.356 5.746 373 HZ3 LYS 50 HZ3 LYS 50 6.226 15.783 5.637 374 H ARG 51 H ARG 51 4.624 10.828 0.421 375 HA ARG 51 HA ARG 51 5.283 11.454 -2.045 376 HB2 ARG 51 HB2 ARG 51 5.010 8.586 -1.010 377 HB3 ARG 51 HB3 ARG 51 6.028 9.073 -2.350 378 HG2 ARG 51 HG2 ARG 51 7.682 9.758 -0.952 379 HG3 ARG 51 HG3 ARG 51 6.576 10.758 -0.032 380 HD2 ARG 51 HD2 ARG 51 7.540 9.044 1.444 381 HD3 ARG 51 HD3 ARG 51 5.824 8.744 1.256 382 HE ARG 51 HE ARG 51 6.853 7.204 -0.753 383 HH11 ARG 51 HH22 ARG 51 7.743 7.513 2.637 384 HH12 ARG 51 HH21 ARG 51 8.318 5.884 2.767 385 HH21 ARG 51 HH12 ARG 51 7.612 5.055 -0.583 386 HH22 ARG 51 HH11 ARG 51 8.243 4.477 0.923 387 H ASP 52 H ASP 52 4.795 10.579 -4.240 388 HA ASP 52 HA ASP 52 1.998 9.772 -4.398 389 HB2 ASP 52 HB2 ASP 52 3.119 12.014 -5.478 390 HB3 ASP 52 HB3 ASP 52 3.426 10.894 -6.791 391 H VAL 53 H VAL 53 5.039 9.747 -6.426 392 HA VAL 53 HA VAL 53 4.299 7.142 -7.460 393 HB VAL 53 HB VAL 53 6.664 8.914 -8.098 394 HG11 VAL 53 HG11 VAL 53 5.478 6.946 -10.019 395 HG12 VAL 53 HG12 VAL 53 7.154 7.525 -9.860 396 HG13 VAL 53 HG13 VAL 53 6.511 6.334 -8.704 397 HG21 VAL 53 HG21 VAL 53 3.820 9.059 -8.906 398 HG22 VAL 53 HG22 VAL 53 5.078 10.318 -8.889 399 HG23 VAL 53 HG23 VAL 53 4.997 9.160 -10.238 400 H LYS 54 H LYS 54 6.393 8.644 -5.061 401 HA LYS 54 HA LYS 54 8.334 6.635 -4.905 402 HB2 LYS 54 HB2 LYS 54 7.634 9.060 -3.534 403 HB3 LYS 54 HB3 LYS 54 7.934 7.811 -2.343 404 HG2 LYS 54 HG2 LYS 54 10.161 7.507 -3.002 405 HG3 LYS 54 HG3 LYS 54 9.860 8.016 -4.651 406 HD2 LYS 54 HD2 LYS 54 9.268 10.242 -2.899 407 HD3 LYS 54 HD3 LYS 54 10.835 9.598 -2.452 408 HE2 LYS 54 HE2 LYS 54 11.813 10.171 -4.476 409 HE3 LYS 54 HE3 LYS 54 10.348 9.880 -5.394 410 HZ1 LYS 54 HZ1 LYS 54 10.771 12.192 -5.318 411 HZ2 LYS 54 HZ2 LYS 54 9.453 11.919 -4.394 412 HZ3 LYS 54 HZ3 LYS 54 10.898 12.207 -3.690 413 H VAL 55 H VAL 55 5.111 7.057 -3.352 414 HA VAL 55 HA VAL 55 5.406 4.739 -1.732 415 HB VAL 55 HB VAL 55 3.983 6.673 -1.184 416 HG11 VAL 55 HG11 VAL 55 3.168 7.160 -3.466 417 HG12 VAL 55 HG12 VAL 55 2.184 5.677 -3.419 418 HG13 VAL 55 HG13 VAL 55 1.837 7.012 -2.293 419 HG21 VAL 55 HG21 VAL 55 2.265 5.436 -0.154 420 HG22 VAL 55 HG22 VAL 55 2.217 4.236 -1.468 421 HG23 VAL 55 HG23 VAL 55 3.598 4.272 -0.346 422 H SER 56 H SER 56 4.089 5.487 -4.980 423 HA SER 56 HA SER 56 2.659 3.213 -5.399 424 HB2 SER 56 HB2 SER 56 3.336 5.395 -6.898 425 HB3 SER 56 HB3 SER 56 4.324 4.182 -7.687 426 HG SER 56 HG SER 56 2.482 3.824 -8.761 427 H LEU 57 H LEU 57 6.130 3.814 -6.341 428 HA LEU 57 HA LEU 57 6.571 1.114 -7.035 429 HB2 LEU 57 HB2 LEU 57 7.827 2.924 -8.017 430 HB3 LEU 57 HB3 LEU 57 8.450 3.404 -6.451 431 HG LEU 57 HG LEU 57 9.056 0.610 -7.081 432 HD11 LEU 57 HD11 LEU 57 9.040 1.536 -9.383 433 HD12 LEU 57 HD12 LEU 57 10.268 2.723 -8.883 434 HD13 LEU 57 HD13 LEU 57 10.647 0.984 -8.854 435 HD21 LEU 57 HD21 LEU 57 10.749 1.054 -5.716 436 HD22 LEU 57 HD22 LEU 57 11.329 2.370 -6.766 437 HD23 LEU 57 HD23 LEU 57 10.094 2.698 -5.527 438 H PHE 58 H PHE 58 7.882 3.070 -4.260 439 HA PHE 58 HA PHE 58 9.088 1.196 -2.833 440 HB2 PHE 58 HB2 PHE 58 8.716 3.598 -2.188 441 HB3 PHE 58 HB3 PHE 58 7.017 3.275 -1.905 442 HD1 PHE 58 HD2 PHE 58 10.419 2.424 -0.692 443 HD2 PHE 58 HD1 PHE 58 6.272 2.557 0.200 444 HE1 PHE 58 HE2 PHE 58 10.919 1.897 1.711 445 HE2 PHE 58 HE1 PHE 58 6.772 2.030 2.603 446 HZ PHE 58 HZ PHE 58 9.089 1.706 3.330 447 H THR 59 H THR 59 5.523 1.574 -3.131 448 HA THR 59 HA THR 59 4.936 -0.396 -1.161 449 HB THR 59 HB THR 59 3.348 0.959 -3.400 450 HG1 THR 59 HG1 THR 59 3.322 1.106 -0.473 451 HG21 THR 59 HG21 THR 59 1.448 0.242 -1.647 452 HG22 THR 59 HG22 THR 59 1.924 -0.864 -2.957 453 HG23 THR 59 HG23 THR 59 2.573 -1.096 -1.316 454 H ALA 60 H ALA 60 4.628 -0.452 -4.780 455 HA ALA 60 HA ALA 60 3.932 -3.018 -5.128 456 HB1 ALA 60 HB1 ALA 60 4.955 -2.856 -7.311 457 HB2 ALA 60 HB2 ALA 60 4.347 -1.241 -6.874 458 HB3 ALA 60 HB3 ALA 60 6.085 -1.603 -6.745 459 H PHE 61 H PHE 61 7.234 -1.774 -4.377 460 HA PHE 61 HA PHE 61 8.463 -4.305 -4.587 461 HB2 PHE 61 HB2 PHE 61 9.017 -1.501 -3.698 462 HB3 PHE 61 HB3 PHE 61 9.955 -2.691 -2.817 463 HD1 PHE 61 HD2 PHE 61 9.258 -1.327 -6.171 464 HD2 PHE 61 HD1 PHE 61 11.769 -3.841 -3.851 465 HE1 PHE 61 HE2 PHE 61 10.898 -1.439 -8.068 466 HE2 PHE 61 HE1 PHE 61 13.410 -3.952 -5.748 467 HZ PHE 61 HZ PHE 61 12.954 -2.750 -7.833 468 H PHE 62 H PHE 62 7.088 -2.385 -1.855 469 HA PHE 62 HA PHE 62 7.980 -4.088 0.170 470 HB2 PHE 62 HB2 PHE 62 6.446 -1.707 -0.221 471 HB3 PHE 62 HB3 PHE 62 5.335 -2.807 0.571 472 HD1 PHE 62 HD2 PHE 62 8.976 -2.031 0.960 473 HD2 PHE 62 HD1 PHE 62 5.183 -2.409 2.826 474 HE1 PHE 62 HE2 PHE 62 10.013 -1.480 3.179 475 HE2 PHE 62 HE1 PHE 62 6.220 -1.858 5.045 476 HZ PHE 62 HZ PHE 62 8.622 -1.400 5.194 477 H LEU 63 H LEU 63 4.625 -3.763 -1.212 478 HA LEU 63 HA LEU 63 3.578 -5.966 0.063 479 HB2 LEU 63 HB2 LEU 63 2.781 -4.062 -1.860 480 HB3 LEU 63 HB3 LEU 63 2.430 -5.632 -2.554 481 HG LEU 63 HG LEU 63 1.581 -5.298 0.261 482 HD11 LEU 63 HD11 LEU 63 0.735 -3.237 -0.069 483 HD12 LEU 63 HD12 LEU 63 0.753 -3.391 -1.843 484 HD13 LEU 63 HD13 LEU 63 -0.565 -4.126 -0.898 485 HD21 LEU 63 HD21 LEU 63 1.120 -7.134 -1.687 486 HD22 LEU 63 HD22 LEU 63 0.069 -6.872 -0.274 487 HD23 LEU 63 HD23 LEU 63 -0.331 -6.114 -1.835 488 H ALA 64 H ALA 64 5.417 -5.716 -3.017 489 HA ALA 64 HA ALA 64 5.002 -8.266 -3.963 490 HB1 ALA 64 HB1 ALA 64 7.406 -7.868 -4.911 491 HB2 ALA 64 HB2 ALA 64 6.096 -6.763 -5.393 492 HB3 ALA 64 HB3 ALA 64 7.262 -6.269 -4.142 493 H THR 65 H THR 65 7.640 -7.071 -1.765 494 HA THR 65 HA THR 65 8.754 -9.621 -1.360 495 HB THR 65 HB THR 65 8.875 -6.895 -0.026 496 HG1 THR 65 HG1 THR 65 10.921 -7.069 -1.047 497 HG21 THR 65 HG21 THR 65 9.204 -8.390 1.885 498 HG22 THR 65 HG22 THR 65 10.197 -9.495 0.904 499 HG23 THR 65 HG23 THR 65 10.814 -7.878 1.324 500 H ILE 66 H ILE 66 6.640 -7.653 0.843 501 HA ILE 66 HA ILE 66 6.324 -9.397 2.847 502 HB ILE 66 HB ILE 66 4.294 -7.609 1.521 503 HG12 ILE 66 HG12 ILE 66 6.432 -6.691 2.596 504 HG13 ILE 66 HG13 ILE 66 4.903 -5.987 3.082 505 HG21 ILE 66 HG21 ILE 66 4.036 -9.319 3.986 506 HG22 ILE 66 HG22 ILE 66 3.140 -7.790 3.820 507 HG23 ILE 66 HG23 ILE 66 2.894 -9.098 2.638 508 HD11 ILE 66 HD11 ILE 66 6.183 -6.385 5.097 509 HD12 ILE 66 HD12 ILE 66 4.879 -7.596 5.062 510 HD13 ILE 66 HD13 ILE 66 6.537 -8.060 4.609 511 H MET 67 H MET 67 4.484 -9.466 -0.276 512 HA MET 67 HA MET 67 2.966 -11.675 0.372 513 HB2 MET 67 HB2 MET 67 4.006 -10.571 -2.290 514 HB3 MET 67 HB3 MET 67 2.849 -11.885 -2.219 515 HG2 MET 67 HG2 MET 67 1.916 -9.771 -0.474 516 HG3 MET 67 HG3 MET 67 2.337 -9.058 -2.018 517 HE1 MET 67 HE1 MET 67 0.700 -8.493 -3.243 518 HE2 MET 67 HE2 MET 67 0.813 -9.796 -4.451 519 HE3 MET 67 HE3 MET 67 -0.764 -9.373 -3.743 520 H GLY 68 H GLY 68 5.878 -11.565 -1.818 521 HA2 GLY 68 HA2 GLY 68 7.639 -13.029 -1.870 522 HA3 GLY 68 HA3 GLY 68 6.855 -14.048 -0.680 523 H VAL 69 H VAL 69 5.313 -12.827 -3.692 524 HA VAL 69 HA VAL 69 4.335 -15.339 -4.390 525 HB VAL 69 HB VAL 69 4.799 -12.860 -6.060 526 HG11 VAL 69 HG11 VAL 69 3.485 -15.474 -6.639 527 HG12 VAL 69 HG12 VAL 69 2.662 -14.003 -7.211 528 HG13 VAL 69 HG13 VAL 69 4.331 -14.347 -7.726 529 HG21 VAL 69 HG21 VAL 69 3.412 -12.496 -4.037 530 HG22 VAL 69 HG22 VAL 69 2.490 -12.293 -5.546 531 HG23 VAL 69 HG23 VAL 69 2.309 -13.781 -4.585 532 H ARG 70 H ARG 70 7.431 -13.721 -4.992 533 HA ARG 70 HA ARG 70 8.217 -15.171 -7.186 534 HB2 ARG 70 HB2 ARG 70 9.386 -13.148 -6.205 535 HB3 ARG 70 HB3 ARG 70 9.978 -14.154 -4.897 536 HG2 ARG 70 HG2 ARG 70 10.744 -15.644 -7.100 537 HG3 ARG 70 HG3 ARG 70 10.874 -14.016 -7.735 538 HD2 ARG 70 HD2 ARG 70 12.776 -13.634 -6.548 539 HD3 ARG 70 HD3 ARG 70 11.995 -14.088 -5.047 540 HE ARG 70 HE ARG 70 12.932 -16.232 -5.221 541 HH11 ARG 70 HH22 ARG 70 13.190 -14.589 -8.322 542 HH12 ARG 70 HH21 ARG 70 14.200 -15.807 -9.028 543 HH21 ARG 70 HH12 ARG 70 14.265 -17.838 -6.151 544 HH22 ARG 70 HH11 ARG 70 14.815 -17.667 -7.784 545 H PHE 71 H PHE 71 8.134 -17.410 -7.268 546 HA PHE 71 HA PHE 71 9.855 -18.891 -5.573 547 HB2 PHE 71 HB2 PHE 71 7.504 -18.368 -4.357 548 HB3 PHE 71 HB3 PHE 71 6.891 -19.608 -5.432 549 HD1 PHE 71 HD1 PHE 71 9.834 -19.146 -3.166 550 HD2 PHE 71 HD2 PHE 71 6.748 -21.717 -4.536 551 HE1 PHE 71 HE1 PHE 71 10.594 -20.916 -1.557 552 HE2 PHE 71 HE2 PHE 71 7.509 -23.487 -2.927 553 HZ PHE 71 HZ PHE 71 9.423 -23.066 -1.457 554 H LYS 72 H LYS 72 9.966 -18.631 -8.282 555 HA LYS 72 HA LYS 72 10.029 -21.150 -9.240 556 HB2 LYS 72 HB2 LYS 72 7.263 -20.159 -9.209 557 HB3 LYS 72 HB3 LYS 72 7.786 -20.698 -10.792 558 HG2 LYS 72 HG2 LYS 72 8.785 -22.623 -8.925 559 HG3 LYS 72 HG3 LYS 72 7.131 -22.294 -8.449 560 HD2 LYS 72 HD2 LYS 72 6.563 -22.568 -10.998 561 HD3 LYS 72 HD3 LYS 72 8.143 -23.315 -11.127 562 HE2 LYS 72 HE2 LYS 72 6.768 -25.177 -10.706 563 HE3 LYS 72 HE3 LYS 72 7.360 -24.803 -9.100 564 HZ1 LYS 72 HZ1 LYS 72 5.074 -25.018 -8.900 565 HZ2 LYS 72 HZ2 LYS 72 5.302 -23.401 -8.894 566 HZ3 LYS 72 HZ3 LYS 72 4.747 -24.142 -10.239 567 H ARG 73 H ARG 73 9.595 -20.989 -11.915 568 HA ARG 73 HA ARG 73 11.497 -19.032 -12.618 569 HB2 ARG 73 HB2 ARG 73 10.832 -21.464 -13.647 570 HB3 ARG 73 HB3 ARG 73 9.901 -20.457 -14.738 571 HG2 ARG 73 HG2 ARG 73 11.775 -19.929 -15.895 572 HG3 ARG 73 HG3 ARG 73 12.498 -19.242 -14.454 573 HD2 ARG 73 HD2 ARG 73 12.508 -22.215 -14.484 574 HD3 ARG 73 HD3 ARG 73 13.429 -21.498 -15.791 575 HE ARG 73 HE ARG 73 14.031 -21.318 -12.912 576 HH11 ARG 73 HH22 ARG 73 14.670 -20.022 -16.120 577 HH12 ARG 73 HH21 ARG 73 16.194 -19.329 -15.676 578 HH21 ARG 73 HH12 ARG 73 16.041 -20.404 -12.325 579 HH22 ARG 73 HH11 ARG 73 16.979 -19.547 -13.503 580 H SER 74 H SER 74 9.718 -17.372 -11.627 581 HA SER 74 HA SER 74 9.047 -15.648 -13.561 582 HB2 SER 74 HB2 SER 74 6.983 -17.786 -13.287 583 HB3 SER 74 HB3 SER 74 6.360 -16.148 -13.305 584 HG SER 74 HG SER 74 6.448 -16.758 -15.454 585 H LYS 75 H LYS 75 8.814 -13.754 -12.417 586 HA LYS 75 HA LYS 75 7.728 -14.003 -9.700 587 HB2 LYS 75 HB2 LYS 75 10.058 -13.421 -9.632 588 HB3 LYS 75 HB3 LYS 75 9.848 -12.161 -10.832 589 HG2 LYS 75 HG2 LYS 75 7.992 -11.363 -8.968 590 HG3 LYS 75 HG3 LYS 75 9.161 -12.145 -7.922 591 HD2 LYS 75 HD2 LYS 75 10.791 -10.557 -8.315 592 HD3 LYS 75 HD3 LYS 75 10.345 -10.357 -9.998 593 HE2 LYS 75 HE2 LYS 75 8.595 -8.831 -9.495 594 HE3 LYS 75 HE3 LYS 75 8.464 -9.372 -7.834 595 HZ1 LYS 75 HZ1 LYS 75 10.793 -7.953 -8.928 596 HZ2 LYS 75 HZ2 LYS 75 9.600 -7.250 -8.062 597 HZ3 LYS 75 HZ3 LYS 75 10.564 -8.369 -7.365 598 H LYS 76 H LYS 76 7.950 -11.863 -12.615 599 HA LYS 76 HA LYS 76 5.699 -10.332 -11.640 600 HB2 LYS 76 HB2 LYS 76 7.495 -9.088 -12.623 601 HB3 LYS 76 HB3 LYS 76 7.502 -10.092 -14.059 602 HG2 LYS 76 HG2 LYS 76 4.826 -8.998 -13.591 603 HG3 LYS 76 HG3 LYS 76 6.013 -7.709 -13.640 604 HD2 LYS 76 HD2 LYS 76 6.807 -9.329 -15.771 605 HD3 LYS 76 HD3 LYS 76 5.062 -9.479 -15.820 606 HE2 LYS 76 HE2 LYS 76 5.952 -6.692 -15.371 607 HE3 LYS 76 HE3 LYS 76 6.554 -7.357 -16.876 608 HZ1 LYS 76 HZ1 LYS 76 4.451 -6.451 -17.296 609 HZ2 LYS 76 HZ2 LYS 76 4.229 -8.068 -17.308 610 HZ3 LYS 76 HZ3 LYS 76 3.755 -7.189 -16.016 611 H ILE 77 H ILE 77 4.650 -12.722 -11.698 612 HA ILE 77 HA ILE 77 3.290 -12.882 -14.298 613 HB ILE 77 HB ILE 77 4.820 -14.760 -13.899 614 HG12 ILE 77 HG12 ILE 77 2.741 -16.519 -13.887 615 HG13 ILE 77 HG13 ILE 77 1.895 -15.034 -14.276 616 HG21 ILE 77 HG21 ILE 77 4.504 -16.339 -12.136 617 HG22 ILE 77 HG22 ILE 77 4.626 -14.723 -11.401 618 HG23 ILE 77 HG23 ILE 77 3.036 -15.506 -11.570 619 HD11 ILE 77 HD11 ILE 77 4.472 -15.672 -15.726 620 HD12 ILE 77 HD12 ILE 77 2.965 -16.485 -16.212 621 HD13 ILE 77 HD13 ILE 77 3.080 -14.709 -16.278 622 H MET 78 H MET 78 2.982 -13.686 -10.766 623 HA MET 78 HA MET 78 0.147 -13.575 -10.988 624 HB2 MET 78 HB2 MET 78 2.174 -14.485 -9.098 625 HB3 MET 78 HB3 MET 78 1.041 -13.458 -8.242 626 HG2 MET 78 HG2 MET 78 -0.563 -15.115 -9.916 627 HG3 MET 78 HG3 MET 78 0.657 -16.177 -9.242 628 HE1 MET 78 HE1 MET 78 -3.043 -15.296 -8.050 629 HE2 MET 78 HE2 MET 78 -2.114 -16.466 -9.018 630 HE3 MET 78 HE3 MET 78 -2.482 -16.815 -7.312 631 HA PRO 79 HA PRO 79 0.922 -9.585 -8.541 632 HB2 PRO 79 HB2 PRO 79 3.464 -8.622 -8.256 633 HB3 PRO 79 HB3 PRO 79 2.668 -9.601 -7.039 634 HG2 PRO 79 HG2 PRO 79 4.794 -10.376 -8.942 635 HG3 PRO 79 HG3 PRO 79 4.292 -11.181 -7.468 636 HD2 PRO 79 HD2 PRO 79 3.665 -11.970 -10.154 637 HD3 PRO 79 HD3 PRO 79 3.069 -12.706 -8.679 638 H ALA 80 H ALA 80 0.179 -9.753 -11.042 639 HA ALA 80 HA ALA 80 1.782 -8.087 -12.708 640 HB1 ALA 80 HB1 ALA 80 -1.071 -9.127 -12.939 641 HB2 ALA 80 HB2 ALA 80 -0.184 -8.293 -14.237 642 HB3 ALA 80 HB3 ALA 80 0.391 -9.866 -13.635 643 H GLY 81 H GLY 81 -1.289 -7.703 -10.828 644 HA2 GLY 81 HA2 GLY 81 -1.753 -5.026 -11.591 645 HA3 GLY 81 HA3 GLY 81 -2.431 -5.866 -10.211 646 H LEU 82 H LEU 82 0.657 -6.467 -9.549 647 HA LEU 82 HA LEU 82 0.858 -4.489 -7.580 648 HB2 LEU 82 HB2 LEU 82 1.829 -6.683 -7.343 649 HB3 LEU 82 HB3 LEU 82 2.881 -6.418 -8.719 650 HG LEU 82 HG LEU 82 3.353 -4.311 -6.845 651 HD11 LEU 82 HD11 LEU 82 2.352 -6.415 -5.426 652 HD12 LEU 82 HD12 LEU 82 4.096 -6.771 -5.408 653 HD13 LEU 82 HD13 LEU 82 3.500 -5.209 -4.796 654 HD21 LEU 82 HD21 LEU 82 4.969 -6.659 -7.850 655 HD22 LEU 82 HD22 LEU 82 5.022 -4.965 -8.392 656 HD23 LEU 82 HD23 LEU 82 5.633 -5.403 -6.778 657 H VAL 83 H VAL 83 3.325 -5.009 -10.176 658 HA VAL 83 HA VAL 83 4.163 -2.328 -10.043 659 HB VAL 83 HB VAL 83 5.308 -3.023 -12.244 660 HG11 VAL 83 HG11 VAL 83 6.357 -4.974 -10.403 661 HG12 VAL 83 HG12 VAL 83 7.022 -3.389 -10.865 662 HG13 VAL 83 HG13 VAL 83 5.873 -3.511 -9.511 663 HG21 VAL 83 HG21 VAL 83 5.266 -5.245 -12.937 664 HG22 VAL 83 HG22 VAL 83 4.612 -5.826 -11.387 665 HG23 VAL 83 HG23 VAL 83 3.563 -4.939 -12.519 666 H ALA 84 H ALA 84 1.849 -4.127 -12.113 667 HA ALA 84 HA ALA 84 1.495 -2.147 -14.042 668 HB1 ALA 84 HB1 ALA 84 0.755 -4.546 -14.152 669 HB2 ALA 84 HB2 ALA 84 -0.541 -4.153 -12.998 670 HB3 ALA 84 HB3 ALA 84 -0.516 -3.385 -14.603 671 H GLY 85 H GLY 85 0.305 -2.511 -10.715 672 HA2 GLY 85 HA2 GLY 85 -1.775 -0.549 -10.964 673 HA3 GLY 85 HA3 GLY 85 -1.161 -1.283 -9.496 674 H LEU 86 H LEU 86 1.573 -0.647 -9.554 675 HA LEU 86 HA LEU 86 1.571 1.931 -8.553 676 HB2 LEU 86 HB2 LEU 86 3.603 1.373 -7.896 677 HB3 LEU 86 HB3 LEU 86 3.289 -0.196 -8.610 678 HG LEU 86 HG LEU 86 4.235 0.956 -10.798 679 HD11 LEU 86 HD11 LEU 86 5.314 2.681 -8.566 680 HD12 LEU 86 HD12 LEU 86 6.150 2.488 -10.125 681 HD13 LEU 86 HD13 LEU 86 4.512 3.182 -10.074 682 HD21 LEU 86 HD21 LEU 86 5.338 -0.656 -8.692 683 HD22 LEU 86 HD22 LEU 86 5.694 -0.672 -10.435 684 HD23 LEU 86 HD23 LEU 86 6.599 0.412 -9.352 685 H SER 87 H SER 87 2.150 0.679 -11.856 686 HA SER 87 HA SER 87 3.118 3.135 -12.821 687 HB2 SER 87 HB2 SER 87 1.968 0.681 -14.213 688 HB3 SER 87 HB3 SER 87 2.616 2.053 -15.089 689 HG SER 87 HG SER 87 3.993 0.201 -13.372 690 H LEU 88 H LEU 88 -0.072 1.406 -13.030 691 HA LEU 88 HA LEU 88 -1.395 3.329 -14.518 692 HB2 LEU 88 HB2 LEU 88 -1.967 0.888 -13.286 693 HB3 LEU 88 HB3 LEU 88 -3.092 2.022 -12.565 694 HG LEU 88 HG LEU 88 -4.072 0.904 -14.494 695 HD11 LEU 88 HD11 LEU 88 -4.516 3.376 -13.885 696 HD12 LEU 88 HD12 LEU 88 -3.609 3.746 -15.372 697 HD13 LEU 88 HD13 LEU 88 -5.090 2.761 -15.453 698 HD21 LEU 88 HD21 LEU 88 -3.089 1.734 -16.801 699 HD22 LEU 88 HD22 LEU 88 -1.584 1.848 -15.857 700 HD23 LEU 88 HD23 LEU 88 -2.442 0.294 -15.979 701 H MET 89 H MET 89 -0.306 3.341 -11.185 702 HA MET 89 HA MET 89 -2.166 5.335 -10.376 703 HB2 MET 89 HB2 MET 89 -0.504 3.492 -9.101 704 HB3 MET 89 HB3 MET 89 0.381 4.983 -8.845 705 HG2 MET 89 HG2 MET 89 -2.483 5.386 -8.354 706 HG3 MET 89 HG3 MET 89 -1.867 4.068 -7.377 707 HE1 MET 89 HE1 MET 89 -1.273 7.342 -8.833 708 HE2 MET 89 HE2 MET 89 -1.457 8.357 -7.382 709 HE3 MET 89 HE3 MET 89 0.168 7.973 -8.000 710 H MET 90 H MET 90 1.475 5.375 -10.455 711 HA MET 90 HA MET 90 1.770 8.049 -10.264 712 HB2 MET 90 HB2 MET 90 4.018 7.666 -11.180 713 HB3 MET 90 HB3 MET 90 3.575 6.246 -10.254 714 HG2 MET 90 HG2 MET 90 4.006 5.002 -12.107 715 HG3 MET 90 HG3 MET 90 2.575 5.702 -12.837 716 HE1 MET 90 HE1 MET 90 5.782 4.785 -13.217 717 HE2 MET 90 HE2 MET 90 5.231 4.939 -14.902 718 HE3 MET 90 HE3 MET 90 6.627 5.885 -14.333 719 H ILE 91 H ILE 91 0.600 6.202 -13.014 720 HA ILE 91 HA ILE 91 1.103 8.371 -14.865 721 HB ILE 91 HB ILE 91 1.191 5.760 -15.230 722 HG12 ILE 91 HG12 ILE 91 0.005 6.874 -17.623 723 HG13 ILE 91 HG13 ILE 91 1.068 8.049 -16.875 724 HG21 ILE 91 HG21 ILE 91 -1.208 5.477 -14.566 725 HG22 ILE 91 HG22 ILE 91 -1.662 6.357 -16.046 726 HG23 ILE 91 HG23 ILE 91 -0.791 4.809 -16.162 727 HD11 ILE 91 HD11 ILE 91 2.957 6.805 -17.276 728 HD12 ILE 91 HD12 ILE 91 2.132 5.262 -16.950 729 HD13 ILE 91 HD13 ILE 91 1.941 6.057 -18.531 730 H LEU 92 H LEU 92 -1.626 6.770 -13.141 731 HA LEU 92 HA LEU 92 -3.686 8.153 -14.362 732 HB2 LEU 92 HB2 LEU 92 -4.362 6.369 -13.109 733 HB3 LEU 92 HB3 LEU 92 -3.284 6.734 -11.777 734 HG LEU 92 HG LEU 92 -5.554 8.610 -12.323 735 HD11 LEU 92 HD11 LEU 92 -6.265 6.068 -12.326 736 HD12 LEU 92 HD12 LEU 92 -6.086 6.251 -10.565 737 HD13 LEU 92 HD13 LEU 92 -7.216 7.297 -11.458 738 HD21 LEU 92 HD21 LEU 92 -4.660 7.657 -9.626 739 HD22 LEU 92 HD22 LEU 92 -3.646 8.804 -10.534 740 HD23 LEU 92 HD23 LEU 92 -5.324 9.232 -10.122 741 H ARG 93 H ARG 93 -1.300 9.164 -11.944 742 HA ARG 93 HA ARG 93 -2.814 11.555 -11.430 743 HB2 ARG 93 HB2 ARG 93 -0.753 10.032 -10.052 744 HB3 ARG 93 HB3 ARG 93 -0.205 11.687 -10.231 745 HG2 ARG 93 HG2 ARG 93 -3.050 11.268 -9.336 746 HG3 ARG 93 HG3 ARG 93 -1.785 10.900 -8.180 747 HD2 ARG 93 HD2 ARG 93 -1.081 13.121 -8.019 748 HD3 ARG 93 HD3 ARG 93 -1.535 13.503 -9.668 749 HE ARG 93 HE ARG 93 -3.950 12.947 -8.333 750 HH11 ARG 93 HH22 ARG 93 -1.326 15.271 -8.024 751 HH12 ARG 93 HH21 ARG 93 -2.331 16.508 -7.346 752 HH21 ARG 93 HH12 ARG 93 -5.277 14.579 -7.439 753 HH22 ARG 93 HH11 ARG 93 -4.593 16.112 -7.011 754 H LEU 94 H LEU 94 0.315 10.463 -12.875 755 HA LEU 94 HA LEU 94 1.224 13.053 -13.508 756 HB2 LEU 94 HB2 LEU 94 2.733 11.200 -13.271 757 HB3 LEU 94 HB3 LEU 94 1.938 10.315 -14.557 758 HG LEU 94 HG LEU 94 2.826 12.888 -15.538 759 HD11 LEU 94 HD11 LEU 94 4.473 12.190 -13.526 760 HD12 LEU 94 HD12 LEU 94 5.220 11.275 -14.857 761 HD13 LEU 94 HD13 LEU 94 5.013 13.038 -14.994 762 HD21 LEU 94 HD21 LEU 94 2.967 10.025 -16.260 763 HD22 LEU 94 HD22 LEU 94 2.596 11.453 -17.256 764 HD23 LEU 94 HD23 LEU 94 4.288 11.044 -16.881 765 H VAL 95 H VAL 95 -1.322 11.104 -14.757 766 HA VAL 95 HA VAL 95 -1.156 12.036 -17.452 767 HB VAL 95 HB VAL 95 -3.072 10.450 -15.788 768 HG11 VAL 95 HG11 VAL 95 -4.585 11.887 -16.986 769 HG12 VAL 95 HG12 VAL 95 -3.691 11.649 -18.506 770 HG13 VAL 95 HG13 VAL 95 -4.589 10.294 -17.780 771 HG21 VAL 95 HG21 VAL 95 -0.944 9.725 -17.294 772 HG22 VAL 95 HG22 VAL 95 -2.355 8.678 -17.010 773 HG23 VAL 95 HG23 VAL 95 -2.235 9.621 -18.514 774 H LEU 96 H LEU 96 -3.677 12.562 -14.881 775 HA LEU 96 HA LEU 96 -4.895 14.690 -16.104 776 HB2 LEU 96 HB2 LEU 96 -6.072 14.940 -14.170 777 HB3 LEU 96 HB3 LEU 96 -5.513 13.285 -14.026 778 HG LEU 96 HG LEU 96 -3.527 14.878 -12.796 779 HD11 LEU 96 HD11 LEU 96 -4.853 16.047 -11.046 780 HD12 LEU 96 HD12 LEU 96 -5.023 16.755 -12.670 781 HD13 LEU 96 HD13 LEU 96 -6.321 15.737 -12.004 782 HD21 LEU 96 HD21 LEU 96 -5.646 13.409 -11.253 783 HD22 LEU 96 HD22 LEU 96 -4.514 12.523 -12.303 784 HD23 LEU 96 HD23 LEU 96 -3.893 13.515 -10.962 785 H LEU 97 H LEU 97 -1.842 14.540 -14.300 786 HA LEU 97 HA LEU 97 -0.454 16.159 -13.610 787 HB2 LEU 97 HB2 LEU 97 -0.211 15.735 -16.155 788 HB3 LEU 97 HB3 LEU 97 -0.883 17.344 -16.335 789 HG LEU 97 HG LEU 97 1.507 16.888 -14.561 790 HD11 LEU 97 HD11 LEU 97 3.038 17.009 -16.307 791 HD12 LEU 97 HD12 LEU 97 1.800 15.890 -16.926 792 HD13 LEU 97 HD13 LEU 97 1.822 17.584 -17.473 793 HD21 LEU 97 HD21 LEU 97 0.262 19.235 -15.974 794 HD22 LEU 97 HD22 LEU 97 0.694 19.043 -14.258 795 HD23 LEU 97 HD23 LEU 97 1.971 19.263 -15.478 796 H LEU 98 H LEU 98 -2.764 16.733 -12.379 797 HA LEU 98 HA LEU 98 -4.210 18.329 -11.744 798 HB2 LEU 98 HB2 LEU 98 -1.958 20.267 -11.709 799 HB3 LEU 98 HB3 LEU 98 -3.140 19.886 -10.473 800 HG LEU 98 HG LEU 98 -1.622 17.538 -10.770 801 HD11 LEU 98 HD11 LEU 98 0.413 19.638 -10.244 802 HD12 LEU 98 HD12 LEU 98 0.580 18.025 -10.978 803 HD13 LEU 98 HD13 LEU 98 -0.060 19.378 -11.941 804 HD21 LEU 98 HD21 LEU 98 -2.591 18.308 -8.693 805 HD22 LEU 98 HD22 LEU 98 -0.837 18.087 -8.491 806 HD23 LEU 98 HD23 LEU 98 -1.512 19.724 -8.674 807 H LEU 99 H LEU 99 -4.428 18.028 -14.508 808 HA LEU 99 HA LEU 99 -3.994 20.086 -16.162 809 HB2 LEU 99 HB2 LEU 99 -5.367 18.986 -17.502 810 HB3 LEU 99 HB3 LEU 99 -5.504 17.823 -16.198 811 HG LEU 99 HG LEU 99 -7.495 19.293 -15.391 812 HD11 LEU 99 HD11 LEU 99 -6.960 20.394 -18.122 813 HD12 LEU 99 HD12 LEU 99 -8.643 20.229 -17.566 814 HD13 LEU 99 HD13 LEU 99 -7.491 21.218 -16.636 815 HD21 LEU 99 HD21 LEU 99 -8.850 18.134 -17.445 816 HD22 LEU 99 HD22 LEU 99 -7.324 17.218 -17.480 817 HD23 LEU 99 HD23 LEU 99 -8.292 17.280 -15.987 Start of MODEL 17 1 H MET 1 H1 MET 1 17.759 -21.158 -16.821 2 HA MET 1 HA MET 1 19.912 -22.621 -18.143 3 HB2 MET 1 HB2 MET 1 19.092 -23.567 -15.889 4 HB3 MET 1 HB3 MET 1 17.522 -23.809 -16.630 5 HG2 MET 1 HG2 MET 1 18.466 -25.363 -18.279 6 HG3 MET 1 HG3 MET 1 20.099 -25.006 -17.754 7 HE1 MET 1 HE1 MET 1 19.697 -28.593 -16.578 8 HE2 MET 1 HE2 MET 1 20.001 -27.522 -17.967 9 HE3 MET 1 HE3 MET 1 21.047 -27.434 -16.529 10 H ASP 2 H ASP 2 16.308 -22.252 -17.859 11 HA ASP 2 HA ASP 2 14.708 -22.406 -19.314 12 HB2 ASP 2 HB2 ASP 2 16.961 -21.229 -20.883 13 HB3 ASP 2 HB3 ASP 2 15.665 -21.899 -21.854 14 H LEU 3 H LEU 3 14.280 -24.685 -19.277 15 HA LEU 3 HA LEU 3 15.855 -26.358 -21.070 16 HB2 LEU 3 HB2 LEU 3 14.990 -26.743 -18.520 17 HB3 LEU 3 HB3 LEU 3 13.719 -27.545 -19.421 18 HG LEU 3 HG LEU 3 16.400 -28.272 -20.359 19 HD11 LEU 3 HD11 LEU 3 16.340 -29.840 -18.096 20 HD12 LEU 3 HD12 LEU 3 17.409 -28.445 -18.375 21 HD13 LEU 3 HD13 LEU 3 15.887 -28.234 -17.477 22 HD21 LEU 3 HD21 LEU 3 13.926 -29.316 -20.599 23 HD22 LEU 3 HD22 LEU 3 15.423 -30.262 -20.781 24 HD23 LEU 3 HD23 LEU 3 14.538 -30.285 -19.237 25 H ILE 4 H ILE 4 12.333 -26.159 -20.195 26 HA ILE 4 HA ILE 4 11.346 -27.333 -22.424 27 HB ILE 4 HB ILE 4 9.827 -26.928 -20.759 28 HG12 ILE 4 HG12 ILE 4 8.829 -24.595 -22.269 29 HG13 ILE 4 HG13 ILE 4 9.244 -25.978 -23.262 30 HG21 ILE 4 HG21 ILE 4 9.519 -24.210 -20.291 31 HG22 ILE 4 HG22 ILE 4 10.357 -25.383 -19.247 32 HG23 ILE 4 HG23 ILE 4 11.281 -24.425 -20.430 33 HD11 ILE 4 HD11 ILE 4 6.837 -25.693 -22.000 34 HD12 ILE 4 HD12 ILE 4 7.542 -27.273 -22.417 35 HD13 ILE 4 HD13 ILE 4 7.729 -26.622 -20.771 36 H GLY 5 H GLY 5 10.692 -23.829 -22.280 37 HA2 GLY 5 HA2 GLY 5 11.300 -22.160 -23.721 38 HA3 GLY 5 HA3 GLY 5 12.273 -23.285 -24.646 39 H PHE 6 H PHE 6 10.526 -25.308 -25.374 40 HA PHE 6 HA PHE 6 9.243 -24.267 -27.557 41 HB2 PHE 6 HB2 PHE 6 9.835 -26.735 -26.529 42 HB3 PHE 6 HB3 PHE 6 8.140 -26.687 -26.088 43 HD1 PHE 6 HD1 PHE 6 10.391 -26.261 -29.024 44 HD2 PHE 6 HD2 PHE 6 6.529 -27.336 -27.634 45 HE1 PHE 6 HE1 PHE 6 9.769 -27.015 -31.336 46 HE2 PHE 6 HE2 PHE 6 5.906 -28.090 -29.945 47 HZ PHE 6 HZ PHE 6 7.534 -27.921 -31.769 48 H GLY 7 H GLY 7 7.715 -25.369 -24.441 49 HA2 GLY 7 HA2 GLY 7 5.106 -24.674 -25.039 50 HA3 GLY 7 HA3 GLY 7 5.805 -24.750 -23.434 51 H TYR 8 H TYR 8 7.667 -22.706 -23.362 52 HA TYR 8 HA TYR 8 6.163 -20.479 -22.836 53 HB2 TYR 8 HB2 TYR 8 8.663 -21.209 -22.351 54 HB3 TYR 8 HB3 TYR 8 9.038 -20.531 -23.923 55 HD1 TYR 8 HD1 TYR 8 6.993 -19.413 -20.968 56 HD2 TYR 8 HD2 TYR 8 10.063 -18.463 -23.793 57 HE1 TYR 8 HE1 TYR 8 7.257 -17.112 -19.919 58 HE2 TYR 8 HE2 TYR 8 10.316 -16.166 -22.735 59 HH TYR 8 HH TYR 8 8.191 -14.727 -21.025 60 H ALA 9 H ALA 9 8.087 -21.211 -25.828 61 HA ALA 9 HA ALA 9 7.358 -18.799 -27.100 62 HB1 ALA 9 HB1 ALA 9 8.232 -20.060 -29.138 63 HB2 ALA 9 HB2 ALA 9 9.362 -19.926 -27.769 64 HB3 ALA 9 HB3 ALA 9 8.490 -21.451 -28.058 65 H ALA 10 H ALA 10 5.940 -22.072 -26.876 66 HA ALA 10 HA ALA 10 4.161 -21.841 -29.016 67 HB1 ALA 10 HB1 ALA 10 4.600 -23.568 -26.659 68 HB2 ALA 10 HB2 ALA 10 2.902 -23.476 -27.186 69 HB3 ALA 10 HB3 ALA 10 4.162 -24.001 -28.329 70 H LEU 11 H LEU 11 3.464 -21.504 -25.457 71 HA LEU 11 HA LEU 11 0.935 -20.466 -25.766 72 HB2 LEU 11 HB2 LEU 11 1.011 -19.975 -23.506 73 HB3 LEU 11 HB3 LEU 11 2.102 -21.333 -23.694 74 HG LEU 11 HG LEU 11 3.951 -19.463 -23.851 75 HD11 LEU 11 HD11 LEU 11 1.729 -17.836 -23.517 76 HD12 LEU 11 HD12 LEU 11 2.469 -17.886 -21.899 77 HD13 LEU 11 HD13 LEU 11 3.433 -17.368 -23.303 78 HD21 LEU 11 HD21 LEU 11 4.520 -19.925 -21.668 79 HD22 LEU 11 HD22 LEU 11 2.835 -19.868 -21.097 80 HD23 LEU 11 HD23 LEU 11 3.410 -21.267 -22.035 81 H VAL 12 H VAL 12 4.138 -18.843 -25.841 82 HA VAL 12 HA VAL 12 3.239 -16.226 -25.742 83 HB VAL 12 HB VAL 12 5.632 -17.637 -26.858 84 HG11 VAL 12 HG11 VAL 12 5.863 -16.020 -28.417 85 HG12 VAL 12 HG12 VAL 12 4.712 -14.929 -27.609 86 HG13 VAL 12 HG13 VAL 12 6.397 -15.025 -27.041 87 HG21 VAL 12 HG21 VAL 12 5.544 -15.399 -24.832 88 HG22 VAL 12 HG22 VAL 12 5.203 -17.085 -24.375 89 HG23 VAL 12 HG23 VAL 12 6.785 -16.652 -25.066 90 H THR 13 H THR 13 3.694 -18.455 -28.558 91 HA THR 13 HA THR 13 2.935 -16.564 -30.498 92 HB THR 13 HB THR 13 3.016 -19.617 -30.370 93 HG1 THR 13 HG1 THR 13 5.095 -19.077 -30.908 94 HG21 THR 13 HG21 THR 13 2.879 -17.925 -32.903 95 HG22 THR 13 HG22 THR 13 2.726 -19.692 -32.751 96 HG23 THR 13 HG23 THR 13 1.411 -18.633 -32.189 97 H PHE 14 H PHE 14 1.068 -18.787 -28.413 98 HA PHE 14 HA PHE 14 -1.341 -18.539 -29.813 99 HB2 PHE 14 HB2 PHE 14 -0.416 -20.080 -27.809 100 HB3 PHE 14 HB3 PHE 14 -1.059 -18.812 -26.784 101 HD1 PHE 14 HD2 PHE 14 -2.102 -21.035 -29.594 102 HD2 PHE 14 HD1 PHE 14 -3.259 -18.954 -26.081 103 HE1 PHE 14 HE2 PHE 14 -4.376 -22.088 -29.720 104 HE2 PHE 14 HE1 PHE 14 -5.534 -20.008 -26.207 105 HZ PHE 14 HZ PHE 14 -6.065 -21.562 -28.025 106 H GLY 15 H GLY 15 -0.125 -16.844 -26.832 107 HA2 GLY 15 HA2 GLY 15 -2.342 -15.141 -26.556 108 HA3 GLY 15 HA3 GLY 15 -0.745 -14.909 -25.873 109 H SER 16 H SER 16 0.545 -15.042 -28.639 110 HA SER 16 HA SER 16 0.442 -12.285 -29.114 111 HB2 SER 16 HB2 SER 16 2.045 -14.539 -29.914 112 HB3 SER 16 HB3 SER 16 1.567 -13.689 -31.370 113 HG SER 16 HG SER 16 2.265 -11.676 -30.032 114 H ILE 17 H ILE 17 -0.811 -15.196 -30.873 115 HA ILE 17 HA ILE 17 -1.925 -13.683 -32.989 116 HB ILE 17 HB ILE 17 -2.359 -16.506 -32.019 117 HG12 ILE 17 HG12 ILE 17 -0.097 -15.999 -32.842 118 HG13 ILE 17 HG13 ILE 17 -0.940 -17.137 -33.874 119 HG21 ILE 17 HG21 ILE 17 -3.110 -16.088 -34.768 120 HG22 ILE 17 HG22 ILE 17 -4.052 -16.779 -33.425 121 HG23 ILE 17 HG23 ILE 17 -4.056 -15.020 -33.703 122 HD11 ILE 17 HD11 ILE 17 0.179 -14.573 -34.576 123 HD12 ILE 17 HD12 ILE 17 -0.597 -15.769 -35.640 124 HD13 ILE 17 HD13 ILE 17 -1.580 -14.516 -34.845 125 H PHE 18 H PHE 18 -3.601 -15.607 -30.397 126 HA PHE 18 HA PHE 18 -6.083 -14.543 -30.780 127 HB2 PHE 18 HB2 PHE 18 -4.484 -15.918 -28.683 128 HB3 PHE 18 HB3 PHE 18 -5.735 -14.915 -27.976 129 HD1 PHE 18 HD1 PHE 18 -5.489 -17.254 -30.889 130 HD2 PHE 18 HD2 PHE 18 -7.657 -16.049 -27.445 131 HE1 PHE 18 HE1 PHE 18 -7.180 -19.057 -31.322 132 HE2 PHE 18 HE2 PHE 18 -9.348 -17.852 -27.879 133 HZ PHE 18 HZ PHE 18 -9.090 -19.335 -29.812 134 H GLY 19 H GLY 19 -3.409 -13.302 -28.681 135 HA2 GLY 19 HA2 GLY 19 -3.100 -10.943 -28.504 136 HA3 GLY 19 HA3 GLY 19 -4.836 -10.720 -28.588 137 H TYR 20 H TYR 20 -5.768 -12.707 -26.791 138 HA TYR 20 HA TYR 20 -4.518 -13.011 -24.403 139 HB2 TYR 20 HB2 TYR 20 -5.348 -10.241 -25.008 140 HB3 TYR 20 HB3 TYR 20 -6.229 -10.826 -23.611 141 HD1 TYR 20 HD1 TYR 20 -4.463 -12.330 -22.006 142 HD2 TYR 20 HD2 TYR 20 -3.529 -8.934 -24.435 143 HE1 TYR 20 HE1 TYR 20 -2.455 -11.820 -20.533 144 HE2 TYR 20 HE2 TYR 20 -1.524 -8.436 -22.954 145 HH TYR 20 HH TYR 20 -0.062 -10.398 -21.183 146 H LYS 21 H LYS 21 -5.735 -14.797 -23.958 147 HA LYS 21 HA LYS 21 -8.331 -15.214 -24.696 148 HB2 LYS 21 HB2 LYS 21 -6.472 -16.750 -23.614 149 HB3 LYS 21 HB3 LYS 21 -7.306 -16.366 -22.122 150 HG2 LYS 21 HG2 LYS 21 -9.440 -17.192 -23.044 151 HG3 LYS 21 HG3 LYS 21 -8.703 -17.448 -24.614 152 HD2 LYS 21 HD2 LYS 21 -7.029 -18.852 -22.814 153 HD3 LYS 21 HD3 LYS 21 -8.652 -19.171 -22.237 154 HE2 LYS 21 HE2 LYS 21 -9.194 -19.632 -24.791 155 HE3 LYS 21 HE3 LYS 21 -7.457 -19.803 -24.953 156 HZ1 LYS 21 HZ1 LYS 21 -8.650 -21.212 -22.746 157 HZ2 LYS 21 HZ2 LYS 21 -9.037 -21.770 -24.231 158 HZ3 LYS 21 HZ3 LYS 21 -7.472 -21.688 -23.772 159 H ARG 22 H ARG 22 -7.459 -14.642 -21.225 160 HA ARG 22 HA ARG 22 -9.008 -12.401 -20.926 161 HB2 ARG 22 HB2 ARG 22 -11.009 -13.336 -19.737 162 HB3 ARG 22 HB3 ARG 22 -10.966 -13.815 -21.423 163 HG2 ARG 22 HG2 ARG 22 -11.299 -15.922 -20.578 164 HG3 ARG 22 HG3 ARG 22 -9.563 -15.894 -20.334 165 HD2 ARG 22 HD2 ARG 22 -9.745 -15.525 -18.025 166 HD3 ARG 22 HD3 ARG 22 -11.286 -14.702 -18.164 167 HE ARG 22 HE ARG 22 -10.859 -17.605 -17.977 168 HH11 ARG 22 HH22 ARG 22 -13.107 -15.044 -18.853 169 HH12 ARG 22 HH21 ARG 22 -14.512 -16.043 -18.679 170 HH21 ARG 22 HH12 ARG 22 -12.711 -18.924 -17.748 171 HH22 ARG 22 HH11 ARG 22 -14.285 -18.264 -18.046 172 H ARG 23 H ARG 23 -7.815 -15.501 -19.583 173 HA ARG 23 HA ARG 23 -7.720 -14.462 -16.940 174 HB2 ARG 23 HB2 ARG 23 -7.732 -17.019 -18.069 175 HB3 ARG 23 HB3 ARG 23 -6.070 -16.861 -17.537 176 HG2 ARG 23 HG2 ARG 23 -7.004 -16.072 -15.263 177 HG3 ARG 23 HG3 ARG 23 -8.583 -16.573 -15.835 178 HD2 ARG 23 HD2 ARG 23 -8.010 -18.603 -14.929 179 HD3 ARG 23 HD3 ARG 23 -7.133 -18.828 -16.429 180 HE ARG 23 HE ARG 23 -5.307 -17.474 -14.861 181 HH11 ARG 23 HH22 ARG 23 -7.232 -20.378 -14.362 182 HH12 ARG 23 HH21 ARG 23 -6.078 -21.115 -13.301 183 HH21 ARG 23 HH12 ARG 23 -3.784 -18.446 -13.461 184 HH22 ARG 23 HH11 ARG 23 -4.104 -20.008 -12.785 185 H GLY 24 H GLY 24 -5.086 -15.787 -16.301 186 HA2 GLY 24 HA2 GLY 24 -2.806 -15.498 -16.816 187 HA3 GLY 24 HA3 GLY 24 -3.190 -14.067 -17.751 188 H GLY 25 H GLY 25 -2.936 -15.412 -14.435 189 HA2 GLY 25 HA2 GLY 25 -2.325 -14.418 -12.506 190 HA3 GLY 25 HA3 GLY 25 -1.912 -12.971 -13.405 191 H VAL 26 H VAL 26 -4.776 -14.845 -12.201 192 HA VAL 26 HA VAL 26 -6.623 -12.783 -12.510 193 HB VAL 26 HB VAL 26 -6.425 -15.394 -11.211 194 HG11 VAL 26 HG11 VAL 26 -8.516 -14.961 -9.811 195 HG12 VAL 26 HG12 VAL 26 -6.981 -14.329 -9.170 196 HG13 VAL 26 HG13 VAL 26 -8.134 -13.230 -9.963 197 HG21 VAL 26 HG21 VAL 26 -7.891 -14.137 -13.263 198 HG22 VAL 26 HG22 VAL 26 -8.023 -15.823 -12.708 199 HG23 VAL 26 HG23 VAL 26 -9.082 -14.572 -12.013 200 HA PRO 27 HA PRO 27 -5.452 -11.598 -8.083 201 HB2 PRO 27 HB2 PRO 27 -3.249 -12.701 -6.901 202 HB3 PRO 27 HB3 PRO 27 -4.874 -13.308 -6.654 203 HG2 PRO 27 HG2 PRO 27 -2.698 -14.451 -8.295 204 HG3 PRO 27 HG3 PRO 27 -4.149 -15.232 -7.699 205 HD2 PRO 27 HD2 PRO 27 -3.669 -14.316 -10.374 206 HD3 PRO 27 HD3 PRO 27 -5.161 -14.990 -9.749 207 H SER 28 H SER 28 -4.821 -10.344 -10.337 208 HA SER 28 HA SER 28 -2.226 -9.217 -9.622 209 HB2 SER 28 HB2 SER 28 -3.483 -9.361 -12.398 210 HB3 SER 28 HB3 SER 28 -1.919 -8.668 -12.020 211 HG SER 28 HG SER 28 -1.028 -10.633 -11.868 212 H LEU 29 H LEU 29 -5.283 -8.474 -11.466 213 HA LEU 29 HA LEU 29 -5.093 -5.742 -11.379 214 HB2 LEU 29 HB2 LEU 29 -7.652 -5.877 -11.487 215 HB3 LEU 29 HB3 LEU 29 -6.700 -6.569 -12.786 216 HG LEU 29 HG LEU 29 -7.142 -8.631 -10.864 217 HD11 LEU 29 HD11 LEU 29 -9.157 -6.795 -10.552 218 HD12 LEU 29 HD12 LEU 29 -9.846 -7.914 -11.752 219 HD13 LEU 29 HD13 LEU 29 -9.270 -8.533 -10.185 220 HD21 LEU 29 HD21 LEU 29 -8.386 -8.238 -13.599 221 HD22 LEU 29 HD22 LEU 29 -6.752 -8.877 -13.299 222 HD23 LEU 29 HD23 LEU 29 -8.178 -9.772 -12.720 223 H ILE 30 H ILE 30 -7.074 -7.786 -9.111 224 HA ILE 30 HA ILE 30 -7.830 -5.898 -7.363 225 HB ILE 30 HB ILE 30 -8.378 -8.322 -7.342 226 HG12 ILE 30 HG12 ILE 30 -8.764 -6.572 -5.443 227 HG13 ILE 30 HG13 ILE 30 -9.080 -8.271 -5.153 228 HG21 ILE 30 HG21 ILE 30 -6.967 -9.856 -6.053 229 HG22 ILE 30 HG22 ILE 30 -6.121 -9.236 -7.490 230 HG23 ILE 30 HG23 ILE 30 -5.736 -8.583 -5.880 231 HD11 ILE 30 HD11 ILE 30 -6.871 -8.545 -4.084 232 HD12 ILE 30 HD12 ILE 30 -6.469 -6.850 -4.450 233 HD13 ILE 30 HD13 ILE 30 -7.773 -7.227 -3.298 234 H ALA 31 H ALA 31 -4.561 -7.317 -7.708 235 HA ALA 31 HA ALA 31 -3.500 -6.249 -5.346 236 HB1 ALA 31 HB1 ALA 31 -1.493 -7.085 -6.143 237 HB2 ALA 31 HB2 ALA 31 -2.639 -8.033 -7.122 238 HB3 ALA 31 HB3 ALA 31 -1.836 -6.607 -7.823 239 H GLY 32 H GLY 32 -3.158 -5.096 -8.783 240 HA2 GLY 32 HA2 GLY 32 -1.913 -2.688 -8.211 241 HA3 GLY 32 HA3 GLY 32 -2.889 -3.031 -9.625 242 H LEU 33 H LEU 33 -5.445 -3.220 -8.940 243 HA LEU 33 HA LEU 33 -6.363 -0.728 -8.550 244 HB2 LEU 33 HB2 LEU 33 -7.827 -2.399 -9.290 245 HB3 LEU 33 HB3 LEU 33 -7.544 -3.409 -7.886 246 HG LEU 33 HG LEU 33 -8.597 -1.208 -6.684 247 HD11 LEU 33 HD11 LEU 33 -10.720 -1.071 -8.461 248 HD12 LEU 33 HD12 LEU 33 -9.482 0.178 -8.186 249 HD13 LEU 33 HD13 LEU 33 -9.283 -0.995 -9.509 250 HD21 LEU 33 HD21 LEU 33 -10.652 -2.475 -6.473 251 HD22 LEU 33 HD22 LEU 33 -10.201 -3.494 -7.860 252 HD23 LEU 33 HD23 LEU 33 -9.248 -3.564 -6.358 253 H PHE 34 H PHE 34 -6.010 -3.202 -5.908 254 HA PHE 34 HA PHE 34 -6.772 -1.649 -3.815 255 HB2 PHE 34 HB2 PHE 34 -6.099 -4.103 -3.845 256 HB3 PHE 34 HB3 PHE 34 -4.425 -3.629 -4.052 257 HD1 PHE 34 HD1 PHE 34 -3.176 -2.627 -2.194 258 HD2 PHE 34 HD2 PHE 34 -7.183 -3.934 -1.693 259 HE1 PHE 34 HE1 PHE 34 -2.890 -2.550 0.298 260 HE2 PHE 34 HE2 PHE 34 -6.896 -3.856 0.799 261 HZ PHE 34 HZ PHE 34 -4.753 -3.165 1.765 262 H VAL 35 H VAL 35 -3.405 -1.979 -5.148 263 HA VAL 35 HA VAL 35 -2.211 -0.220 -3.371 264 HB VAL 35 HB VAL 35 -1.612 -1.274 -6.102 265 HG11 VAL 35 HG11 VAL 35 -0.738 0.869 -6.461 266 HG12 VAL 35 HG12 VAL 35 -0.216 1.046 -4.768 267 HG13 VAL 35 HG13 VAL 35 0.658 -0.057 -5.858 268 HG21 VAL 35 HG21 VAL 35 -0.824 -1.785 -3.328 269 HG22 VAL 35 HG22 VAL 35 -0.728 -2.838 -4.760 270 HG23 VAL 35 HG23 VAL 35 0.567 -1.661 -4.432 271 H GLY 36 H GLY 36 -4.194 0.326 -6.271 272 HA2 GLY 36 HA2 GLY 36 -3.472 3.069 -6.607 273 HA3 GLY 36 HA3 GLY 36 -4.823 2.220 -7.332 274 H CYS 37 H CYS 37 -5.917 1.249 -4.717 275 HA CYS 37 HA CYS 37 -7.549 3.477 -4.189 276 HB2 CYS 37 HB2 CYS 37 -7.753 0.756 -3.795 277 HB3 CYS 37 HB3 CYS 37 -7.544 1.341 -2.157 278 HG CYS 37 HG CYS 37 -10.078 1.158 -2.526 279 H LEU 38 H LEU 38 -4.851 1.801 -2.439 280 HA LEU 38 HA LEU 38 -4.937 3.539 -0.212 281 HB2 LEU 38 HB2 LEU 38 -3.234 2.287 0.619 282 HB3 LEU 38 HB3 LEU 38 -3.969 1.149 -0.493 283 HG LEU 38 HG LEU 38 -2.205 1.873 -2.195 284 HD11 LEU 38 HD11 LEU 38 -1.453 3.557 0.082 285 HD12 LEU 38 HD12 LEU 38 -0.100 2.612 -0.584 286 HD13 LEU 38 HD13 LEU 38 -1.036 3.695 -1.643 287 HD21 LEU 38 HD21 LEU 38 -2.245 -0.128 -0.332 288 HD22 LEU 38 HD22 LEU 38 -1.050 0.036 -1.641 289 HD23 LEU 38 HD23 LEU 38 -0.671 0.640 -0.010 290 H ALA 39 H ALA 39 -3.378 3.607 -3.408 291 HA ALA 39 HA ALA 39 -1.480 5.590 -2.807 292 HB1 ALA 39 HB1 ALA 39 -1.854 5.909 -5.443 293 HB2 ALA 39 HB2 ALA 39 -1.004 4.494 -4.776 294 HB3 ALA 39 HB3 ALA 39 -2.715 4.364 -5.246 295 H GLY 40 H GLY 40 -4.749 5.773 -4.391 296 HA2 GLY 40 HA2 GLY 40 -4.832 8.559 -4.602 297 HA3 GLY 40 HA3 GLY 40 -6.207 7.472 -4.578 298 H TYR 41 H TYR 41 -6.191 6.339 -2.057 299 HA TYR 41 HA TYR 41 -7.289 8.356 -0.486 300 HB2 TYR 41 HB2 TYR 41 -7.605 5.797 -0.433 301 HB3 TYR 41 HB3 TYR 41 -6.001 5.657 0.260 302 HD1 TYR 41 HD2 TYR 41 -5.563 6.375 2.582 303 HD2 TYR 41 HD1 TYR 41 -9.493 6.553 0.901 304 HE1 TYR 41 HE2 TYR 41 -6.555 6.623 4.909 305 HE2 TYR 41 HE1 TYR 41 -10.472 6.801 3.234 306 HH TYR 41 HH TYR 41 -10.070 6.739 5.367 307 H GLY 42 H GLY 42 -3.959 7.138 -0.789 308 HA2 GLY 42 HA2 GLY 42 -3.011 8.224 1.671 309 HA3 GLY 42 HA3 GLY 42 -2.058 7.651 0.317 310 H ALA 43 H ALA 43 -1.970 9.129 -1.678 311 HA ALA 43 HA ALA 43 -0.988 11.602 -0.966 312 HB1 ALA 43 HB1 ALA 43 -1.994 11.676 -3.656 313 HB2 ALA 43 HB2 ALA 43 -0.319 11.439 -3.102 314 HB3 ALA 43 HB3 ALA 43 -1.390 10.035 -3.325 315 H TYR 44 H TYR 44 -4.170 10.858 -2.572 316 HA TYR 44 HA TYR 44 -6.141 11.871 -2.429 317 HB2 TYR 44 HB2 TYR 44 -5.055 12.061 0.103 318 HB3 TYR 44 HB3 TYR 44 -5.130 13.768 -0.286 319 HD1 TYR 44 HD1 TYR 44 -7.328 14.867 -0.693 320 HD2 TYR 44 HD2 TYR 44 -7.052 10.792 0.578 321 HE1 TYR 44 HE1 TYR 44 -9.776 14.907 -0.009 322 HE2 TYR 44 HE2 TYR 44 -9.501 10.845 1.258 323 HH TYR 44 HH TYR 44 -11.614 12.660 0.234 324 H ARG 45 H ARG 45 -3.657 14.390 -1.567 325 HA ARG 45 HA ARG 45 -4.725 15.900 -3.817 326 HB2 ARG 45 HB2 ARG 45 -4.569 16.646 -1.056 327 HB3 ARG 45 HB3 ARG 45 -3.342 17.590 -1.878 328 HG2 ARG 45 HG2 ARG 45 -4.896 18.902 -2.902 329 HG3 ARG 45 HG3 ARG 45 -5.820 17.516 -3.446 330 HD2 ARG 45 HD2 ARG 45 -7.235 17.551 -1.604 331 HD3 ARG 45 HD3 ARG 45 -5.985 18.114 -0.513 332 HE ARG 45 HE ARG 45 -7.780 19.779 -2.119 333 HH11 ARG 45 HH22 ARG 45 -4.696 19.675 -0.428 334 HH12 ARG 45 HH21 ARG 45 -4.608 21.392 -0.217 335 HH21 ARG 45 HH12 ARG 45 -7.665 22.045 -1.842 336 HH22 ARG 45 HH11 ARG 45 -6.309 22.749 -1.027 337 H VAL 46 H VAL 46 -2.170 14.063 -2.755 338 HA VAL 46 HA VAL 46 -0.134 13.757 -3.592 339 HB VAL 46 HB VAL 46 -1.323 15.491 -5.488 340 HG11 VAL 46 HG11 VAL 46 0.497 16.841 -6.291 341 HG12 VAL 46 HG12 VAL 46 0.248 17.220 -4.570 342 HG13 VAL 46 HG13 VAL 46 1.603 16.177 -5.065 343 HG21 VAL 46 HG21 VAL 46 -0.176 13.123 -5.593 344 HG22 VAL 46 HG22 VAL 46 -0.182 14.190 -7.018 345 HG23 VAL 46 HG23 VAL 46 1.274 14.072 -6.001 346 H SER 47 H SER 47 -1.244 16.212 -1.648 347 HA SER 47 HA SER 47 1.268 17.553 -1.350 348 HB2 SER 47 HB2 SER 47 -1.326 18.335 -0.959 349 HB3 SER 47 HB3 SER 47 -0.888 17.921 0.687 350 HG SER 47 HG SER 47 0.318 19.881 -1.049 351 H ASN 48 H ASN 48 2.024 17.841 1.108 352 HA ASN 48 HA ASN 48 2.761 16.979 2.965 353 HB2 ASN 48 HB2 ASN 48 0.256 15.748 2.777 354 HB3 ASN 48 HB3 ASN 48 1.328 14.369 2.924 355 HD21 ASN 48 HD21 ASN 48 0.869 13.756 4.948 356 HD22 ASN 48 HD22 ASN 48 1.168 14.691 6.375 357 H ASP 49 H ASP 49 1.891 14.003 1.034 358 HA ASP 49 HA ASP 49 4.381 12.822 1.536 359 HB2 ASP 49 HB2 ASP 49 1.879 12.043 0.489 360 HB3 ASP 49 HB3 ASP 49 2.978 11.833 -0.859 361 H LYS 50 H LYS 50 3.371 15.339 -0.540 362 HA LYS 50 HA LYS 50 4.263 16.390 -2.262 363 HB2 LYS 50 HB2 LYS 50 6.680 14.973 -1.166 364 HB3 LYS 50 HB3 LYS 50 6.809 15.909 -2.641 365 HG2 LYS 50 HG2 LYS 50 6.135 17.942 -1.549 366 HG3 LYS 50 HG3 LYS 50 5.518 17.085 -0.150 367 HD2 LYS 50 HD2 LYS 50 7.541 17.212 0.863 368 HD3 LYS 50 HD3 LYS 50 8.292 16.355 -0.468 369 HE2 LYS 50 HE2 LYS 50 8.950 18.323 -1.560 370 HE3 LYS 50 HE3 LYS 50 7.636 19.268 -0.886 371 HZ1 LYS 50 HZ1 LYS 50 10.106 19.362 0.016 372 HZ2 LYS 50 HZ2 LYS 50 8.810 19.697 0.950 373 HZ3 LYS 50 HZ3 LYS 50 9.512 18.225 1.026 374 H ARG 51 H ARG 51 6.635 14.067 -3.237 375 HA ARG 51 HA ARG 51 5.684 13.749 -5.710 376 HB2 ARG 51 HB2 ARG 51 6.994 11.402 -4.286 377 HB3 ARG 51 HB3 ARG 51 7.225 11.926 -5.942 378 HG2 ARG 51 HG2 ARG 51 7.992 14.193 -4.535 379 HG3 ARG 51 HG3 ARG 51 8.507 12.918 -3.448 380 HD2 ARG 51 HD2 ARG 51 9.306 13.275 -6.372 381 HD3 ARG 51 HD3 ARG 51 10.351 13.387 -4.970 382 HE ARG 51 HE ARG 51 9.025 10.795 -5.140 383 HH11 ARG 51 HH22 ARG 51 11.752 12.676 -6.326 384 HH12 ARG 51 HH21 ARG 51 12.713 11.284 -6.701 385 HH21 ARG 51 HH12 ARG 51 10.291 8.959 -5.633 386 HH22 ARG 51 HH11 ARG 51 11.876 9.155 -6.304 387 H ASP 52 H ASP 52 4.775 11.689 -6.801 388 HA ASP 52 HA ASP 52 2.696 10.611 -5.067 389 HB2 ASP 52 HB2 ASP 52 2.338 12.044 -7.361 390 HB3 ASP 52 HB3 ASP 52 2.466 10.441 -8.056 391 H VAL 53 H VAL 53 5.056 10.002 -7.736 392 HA VAL 53 HA VAL 53 4.516 7.243 -7.966 393 HB VAL 53 HB VAL 53 7.027 8.772 -8.668 394 HG11 VAL 53 HG11 VAL 53 7.642 6.598 -9.039 395 HG12 VAL 53 HG12 VAL 53 5.971 6.051 -9.311 396 HG13 VAL 53 HG13 VAL 53 6.838 6.934 -10.591 397 HG21 VAL 53 HG21 VAL 53 5.467 10.008 -9.827 398 HG22 VAL 53 HG22 VAL 53 5.790 8.713 -11.005 399 HG23 VAL 53 HG23 VAL 53 4.335 8.643 -9.982 400 H LYS 54 H LYS 54 5.921 9.099 -5.471 401 HA LYS 54 HA LYS 54 7.965 7.328 -4.669 402 HB2 LYS 54 HB2 LYS 54 8.065 9.590 -3.945 403 HB3 LYS 54 HB3 LYS 54 6.443 9.542 -3.284 404 HG2 LYS 54 HG2 LYS 54 7.232 7.771 -1.637 405 HG3 LYS 54 HG3 LYS 54 8.861 7.992 -2.244 406 HD2 LYS 54 HD2 LYS 54 7.996 10.617 -1.712 407 HD3 LYS 54 HD3 LYS 54 7.310 9.686 -0.396 408 HE2 LYS 54 HE2 LYS 54 9.504 8.798 0.220 409 HE3 LYS 54 HE3 LYS 54 10.242 9.472 -1.219 410 HZ1 LYS 54 HZ1 LYS 54 10.495 11.378 -0.176 411 HZ2 LYS 54 HZ2 LYS 54 8.915 11.479 0.223 412 HZ3 LYS 54 HZ3 LYS 54 9.957 10.695 1.206 413 H VAL 55 H VAL 55 4.478 7.700 -3.811 414 HA VAL 55 HA VAL 55 4.587 5.567 -1.921 415 HB VAL 55 HB VAL 55 3.013 7.631 -2.104 416 HG11 VAL 55 HG11 VAL 55 2.277 6.764 -4.462 417 HG12 VAL 55 HG12 VAL 55 1.193 5.705 -3.529 418 HG13 VAL 55 HG13 VAL 55 1.070 7.473 -3.363 419 HG21 VAL 55 HG21 VAL 55 1.412 6.552 -0.703 420 HG22 VAL 55 HG22 VAL 55 1.753 4.960 -1.421 421 HG23 VAL 55 HG23 VAL 55 2.975 5.756 -0.401 422 H SER 56 H SER 56 3.854 5.953 -5.396 423 HA SER 56 HA SER 56 2.549 3.587 -5.806 424 HB2 SER 56 HB2 SER 56 3.180 5.616 -7.403 425 HB3 SER 56 HB3 SER 56 4.553 4.611 -7.825 426 HG SER 56 HG SER 56 3.089 3.870 -9.258 427 H LEU 57 H LEU 57 6.104 4.292 -6.187 428 HA LEU 57 HA LEU 57 6.757 1.572 -6.592 429 HB2 LEU 57 HB2 LEU 57 8.077 3.410 -7.477 430 HB3 LEU 57 HB3 LEU 57 8.448 3.964 -5.857 431 HG LEU 57 HG LEU 57 10.333 2.781 -6.858 432 HD11 LEU 57 HD11 LEU 57 9.719 2.664 -4.351 433 HD12 LEU 57 HD12 LEU 57 9.299 0.968 -4.690 434 HD13 LEU 57 HD13 LEU 57 10.955 1.551 -4.986 435 HD21 LEU 57 HD21 LEU 57 9.013 0.123 -6.730 436 HD22 LEU 57 HD22 LEU 57 8.572 1.179 -8.093 437 HD23 LEU 57 HD23 LEU 57 10.275 0.735 -7.826 438 H PHE 58 H PHE 58 7.406 3.805 -3.793 439 HA PHE 58 HA PHE 58 8.448 2.095 -2.036 440 HB2 PHE 58 HB2 PHE 58 7.920 4.505 -1.633 441 HB3 PHE 58 HB3 PHE 58 6.202 4.166 -1.683 442 HD1 PHE 58 HD2 PHE 58 5.306 2.519 0.127 443 HD2 PHE 58 HD1 PHE 58 9.022 4.549 0.412 444 HE1 PHE 58 HE2 PHE 58 5.301 2.179 2.614 445 HE2 PHE 58 HE1 PHE 58 9.017 4.209 2.899 446 HZ PHE 58 HZ PHE 58 7.157 3.028 3.970 447 H THR 59 H THR 59 4.968 2.310 -2.937 448 HA THR 59 HA THR 59 4.116 0.463 -0.951 449 HB THR 59 HB THR 59 2.893 1.563 -3.533 450 HG1 THR 59 HG1 THR 59 3.006 3.164 -1.937 451 HG21 THR 59 HG21 THR 59 0.860 0.547 -3.004 452 HG22 THR 59 HG22 THR 59 1.952 -0.715 -2.385 453 HG23 THR 59 HG23 THR 59 1.238 0.471 -1.266 454 H ALA 60 H ALA 60 4.526 0.133 -4.544 455 HA ALA 60 HA ALA 60 3.959 -2.507 -4.766 456 HB1 ALA 60 HB1 ALA 60 4.376 -1.594 -6.815 457 HB2 ALA 60 HB2 ALA 60 5.669 -0.538 -6.198 458 HB3 ALA 60 HB3 ALA 60 6.008 -2.251 -6.542 459 H PHE 61 H PHE 61 7.030 -0.985 -3.646 460 HA PHE 61 HA PHE 61 8.430 -3.428 -3.471 461 HB2 PHE 61 HB2 PHE 61 8.878 -0.647 -3.245 462 HB3 PHE 61 HB3 PHE 61 9.113 -1.198 -1.599 463 HD1 PHE 61 HD1 PHE 61 10.236 -1.804 -5.087 464 HD2 PHE 61 HD2 PHE 61 11.134 -2.189 -0.958 465 HE1 PHE 61 HE1 PHE 61 12.570 -2.529 -5.662 466 HE2 PHE 61 HE2 PHE 61 13.468 -2.914 -1.533 467 HZ PHE 61 HZ PHE 61 14.157 -3.075 -3.878 468 H PHE 62 H PHE 62 6.442 -1.488 -1.181 469 HA PHE 62 HA PHE 62 7.140 -2.950 1.106 470 HB2 PHE 62 HB2 PHE 62 5.493 -0.757 0.272 471 HB3 PHE 62 HB3 PHE 62 4.375 -1.898 0.992 472 HD1 PHE 62 HD2 PHE 62 7.797 -0.609 1.794 473 HD2 PHE 62 HD1 PHE 62 3.884 -1.472 3.192 474 HE1 PHE 62 HE2 PHE 62 8.433 0.211 4.079 475 HE2 PHE 62 HE1 PHE 62 4.520 -0.651 5.478 476 HZ PHE 62 HZ PHE 62 6.787 0.181 5.894 477 H LEU 63 H LEU 63 4.043 -3.023 -0.812 478 HA LEU 63 HA LEU 63 2.997 -5.239 0.454 479 HB2 LEU 63 HB2 LEU 63 2.399 -3.562 -1.787 480 HB3 LEU 63 HB3 LEU 63 2.149 -5.233 -2.253 481 HG LEU 63 HG LEU 63 0.785 -5.411 -0.039 482 HD11 LEU 63 HD11 LEU 63 1.251 -2.480 -0.268 483 HD12 LEU 63 HD12 LEU 63 -0.380 -3.019 0.198 484 HD13 LEU 63 HD13 LEU 63 1.030 -3.505 1.170 485 HD21 LEU 63 HD21 LEU 63 0.038 -5.325 -2.548 486 HD22 LEU 63 HD22 LEU 63 -1.159 -5.151 -1.243 487 HD23 LEU 63 HD23 LEU 63 -0.567 -3.711 -2.106 488 H ALA 64 H ALA 64 5.290 -4.972 -2.292 489 HA ALA 64 HA ALA 64 5.212 -7.643 -3.075 490 HB1 ALA 64 HB1 ALA 64 7.570 -7.064 -3.926 491 HB2 ALA 64 HB2 ALA 64 6.232 -6.047 -4.510 492 HB3 ALA 64 HB3 ALA 64 7.305 -5.451 -3.221 493 H THR 65 H THR 65 7.749 -5.997 -1.047 494 HA THR 65 HA THR 65 8.964 -8.348 -0.206 495 HB THR 65 HB THR 65 9.798 -5.922 -0.081 496 HG1 THR 65 HG1 THR 65 10.817 -6.491 2.051 497 HG21 THR 65 HG21 THR 65 8.039 -4.730 1.063 498 HG22 THR 65 HG22 THR 65 7.896 -5.996 2.306 499 HG23 THR 65 HG23 THR 65 9.324 -4.934 2.278 500 H ILE 66 H ILE 66 5.870 -7.024 0.654 501 HA ILE 66 HA ILE 66 5.780 -8.280 3.225 502 HB ILE 66 HB ILE 66 3.908 -6.731 1.491 503 HG12 ILE 66 HG12 ILE 66 4.715 -6.435 4.399 504 HG13 ILE 66 HG13 ILE 66 5.517 -5.638 3.060 505 HG21 ILE 66 HG21 ILE 66 2.344 -7.222 3.660 506 HG22 ILE 66 HG22 ILE 66 2.200 -8.060 2.096 507 HG23 ILE 66 HG23 ILE 66 3.112 -8.811 3.427 508 HD11 ILE 66 HD11 ILE 66 2.873 -5.010 2.545 509 HD12 ILE 66 HD12 ILE 66 2.904 -5.033 4.325 510 HD13 ILE 66 HD13 ILE 66 4.009 -3.963 3.429 511 H MET 67 H MET 67 3.638 -8.774 0.336 512 HA MET 67 HA MET 67 2.891 -11.305 1.151 513 HB2 MET 67 HB2 MET 67 2.787 -9.679 -1.398 514 HB3 MET 67 HB3 MET 67 2.437 -11.391 -1.539 515 HG2 MET 67 HG2 MET 67 0.295 -10.685 -1.036 516 HG3 MET 67 HG3 MET 67 0.871 -10.849 0.610 517 HE1 MET 67 HE1 MET 67 -1.288 -7.575 0.636 518 HE2 MET 67 HE2 MET 67 -1.522 -8.739 -0.690 519 HE3 MET 67 HE3 MET 67 -1.242 -9.323 0.968 520 H GLY 68 H GLY 68 5.125 -10.367 -1.571 521 HA2 GLY 68 HA2 GLY 68 7.313 -11.642 -1.361 522 HA3 GLY 68 HA3 GLY 68 6.300 -13.071 -1.399 523 H VAL 69 H VAL 69 5.960 -9.955 -3.222 524 HA VAL 69 HA VAL 69 5.444 -11.366 -5.631 525 HB VAL 69 HB VAL 69 5.815 -8.485 -4.851 526 HG11 VAL 69 HG11 VAL 69 4.783 -8.467 -7.443 527 HG12 VAL 69 HG12 VAL 69 6.419 -7.973 -6.943 528 HG13 VAL 69 HG13 VAL 69 6.126 -9.634 -7.513 529 HG21 VAL 69 HG21 VAL 69 3.624 -10.285 -4.904 530 HG22 VAL 69 HG22 VAL 69 3.607 -8.541 -4.549 531 HG23 VAL 69 HG23 VAL 69 3.362 -9.113 -6.217 532 H ARG 70 H ARG 70 8.294 -9.950 -4.048 533 HA ARG 70 HA ARG 70 9.865 -9.835 -6.343 534 HB2 ARG 70 HB2 ARG 70 10.150 -8.982 -3.756 535 HB3 ARG 70 HB3 ARG 70 11.185 -10.395 -3.703 536 HG2 ARG 70 HG2 ARG 70 11.844 -9.102 -6.143 537 HG3 ARG 70 HG3 ARG 70 11.662 -7.803 -4.981 538 HD2 ARG 70 HD2 ARG 70 13.103 -9.829 -3.599 539 HD3 ARG 70 HD3 ARG 70 13.804 -9.788 -5.204 540 HE ARG 70 HE ARG 70 13.498 -7.092 -4.344 541 HH11 ARG 70 HH22 ARG 70 15.359 -9.953 -3.488 542 HH12 ARG 70 HH21 ARG 70 16.695 -9.051 -2.855 543 HH21 ARG 70 HH12 ARG 70 15.260 -5.901 -3.508 544 HH22 ARG 70 HH11 ARG 70 16.638 -6.731 -2.866 545 H PHE 71 H PHE 71 9.839 -12.208 -3.572 546 HA PHE 71 HA PHE 71 11.499 -14.027 -5.015 547 HB2 PHE 71 HB2 PHE 71 11.316 -13.626 -2.461 548 HB3 PHE 71 HB3 PHE 71 9.738 -14.384 -2.518 549 HD1 PHE 71 HD2 PHE 71 13.350 -14.961 -2.831 550 HD2 PHE 71 HD1 PHE 71 9.513 -16.771 -2.734 551 HE1 PHE 71 HE2 PHE 71 14.419 -17.211 -2.524 552 HE2 PHE 71 HE1 PHE 71 10.582 -19.021 -2.427 553 HZ PHE 71 HZ PHE 71 13.022 -19.214 -2.326 554 H LYS 72 H LYS 72 10.756 -15.253 -6.680 555 HA LYS 72 HA LYS 72 8.563 -16.977 -6.305 556 HB2 LYS 72 HB2 LYS 72 7.638 -14.507 -6.890 557 HB3 LYS 72 HB3 LYS 72 7.899 -15.103 -8.517 558 HG2 LYS 72 HG2 LYS 72 5.736 -15.887 -8.137 559 HG3 LYS 72 HG3 LYS 72 6.663 -17.281 -7.618 560 HD2 LYS 72 HD2 LYS 72 6.093 -17.009 -5.409 561 HD3 LYS 72 HD3 LYS 72 6.246 -15.265 -5.476 562 HE2 LYS 72 HE2 LYS 72 4.032 -14.946 -6.150 563 HE3 LYS 72 HE3 LYS 72 3.945 -16.484 -6.984 564 HZ1 LYS 72 HZ1 LYS 72 3.356 -15.883 -4.275 565 HZ2 LYS 72 HZ2 LYS 72 2.891 -17.161 -5.179 566 HZ3 LYS 72 HZ3 LYS 72 4.334 -17.184 -4.415 567 H ARG 73 H ARG 73 8.251 -18.389 -8.242 568 HA ARG 73 HA ARG 73 10.558 -18.192 -10.002 569 HB2 ARG 73 HB2 ARG 73 9.492 -20.613 -8.495 570 HB3 ARG 73 HB3 ARG 73 10.425 -20.824 -9.963 571 HG2 ARG 73 HG2 ARG 73 12.012 -19.020 -8.608 572 HG3 ARG 73 HG3 ARG 73 11.313 -19.904 -7.267 573 HD2 ARG 73 HD2 ARG 73 12.988 -21.418 -7.652 574 HD3 ARG 73 HD3 ARG 73 11.968 -21.985 -8.960 575 HE ARG 73 HE ARG 73 13.370 -19.885 -10.110 576 HH11 ARG 73 HH22 ARG 73 14.310 -22.805 -8.386 577 HH12 ARG 73 HH21 ARG 73 15.820 -22.964 -9.219 578 HH21 ARG 73 HH12 ARG 73 15.362 -20.094 -11.210 579 HH22 ARG 73 HH11 ARG 73 16.423 -21.411 -10.836 580 H SER 74 H SER 74 8.903 -17.122 -11.436 581 HA SER 74 HA SER 74 7.530 -17.127 -13.116 582 HB2 SER 74 HB2 SER 74 8.808 -18.756 -14.261 583 HB3 SER 74 HB3 SER 74 8.364 -20.035 -13.149 584 HG SER 74 HG SER 74 6.794 -20.538 -14.500 585 H LYS 75 H LYS 75 5.841 -16.515 -11.507 586 HA LYS 75 HA LYS 75 3.855 -18.661 -11.214 587 HB2 LYS 75 HB2 LYS 75 5.156 -17.567 -9.130 588 HB3 LYS 75 HB3 LYS 75 3.873 -16.385 -9.290 589 HG2 LYS 75 HG2 LYS 75 2.325 -17.818 -8.440 590 HG3 LYS 75 HG3 LYS 75 2.791 -19.089 -9.553 591 HD2 LYS 75 HD2 LYS 75 4.823 -18.647 -7.458 592 HD3 LYS 75 HD3 LYS 75 3.258 -19.058 -6.783 593 HE2 LYS 75 HE2 LYS 75 3.171 -21.152 -7.918 594 HE3 LYS 75 HE3 LYS 75 4.372 -20.671 -9.100 595 HZ1 LYS 75 HZ1 LYS 75 4.790 -21.939 -6.679 596 HZ2 LYS 75 HZ2 LYS 75 5.907 -21.500 -7.785 597 HZ3 LYS 75 HZ3 LYS 75 5.509 -20.477 -6.576 598 H LYS 76 H LYS 76 4.458 -15.119 -11.613 599 HA LYS 76 HA LYS 76 3.069 -13.499 -12.296 600 HB2 LYS 76 HB2 LYS 76 2.580 -13.664 -14.616 601 HB3 LYS 76 HB3 LYS 76 4.063 -14.555 -14.342 602 HG2 LYS 76 HG2 LYS 76 1.574 -16.177 -14.075 603 HG3 LYS 76 HG3 LYS 76 1.865 -15.551 -15.685 604 HD2 LYS 76 HD2 LYS 76 4.310 -16.452 -15.369 605 HD3 LYS 76 HD3 LYS 76 3.651 -17.371 -14.031 606 HE2 LYS 76 HE2 LYS 76 2.267 -18.682 -15.426 607 HE3 LYS 76 HE3 LYS 76 2.231 -17.479 -16.700 608 HZ1 LYS 76 HZ1 LYS 76 4.831 -18.079 -16.538 609 HZ2 LYS 76 HZ2 LYS 76 4.150 -19.528 -16.214 610 HZ3 LYS 76 HZ3 LYS 76 3.790 -18.748 -17.603 611 H ILE 77 H ILE 77 1.835 -15.153 -10.300 612 HA ILE 77 HA ILE 77 -0.935 -15.161 -11.279 613 HB ILE 77 HB ILE 77 0.565 -16.951 -9.420 614 HG12 ILE 77 HG12 ILE 77 -1.669 -17.853 -11.168 615 HG13 ILE 77 HG13 ILE 77 -0.232 -17.259 -11.977 616 HG21 ILE 77 HG21 ILE 77 -2.405 -16.386 -9.252 617 HG22 ILE 77 HG22 ILE 77 -1.600 -17.801 -8.533 618 HG23 ILE 77 HG23 ILE 77 -1.184 -16.162 -7.976 619 HD11 ILE 77 HD11 ILE 77 -0.630 -19.758 -10.478 620 HD12 ILE 77 HD12 ILE 77 0.642 -19.331 -11.648 621 HD13 ILE 77 HD13 ILE 77 0.815 -18.870 -9.937 622 H MET 78 H MET 78 0.779 -14.969 -8.079 623 HA MET 78 HA MET 78 -1.191 -13.187 -7.123 624 HB2 MET 78 HB2 MET 78 0.986 -14.792 -6.101 625 HB3 MET 78 HB3 MET 78 1.262 -13.152 -5.549 626 HG2 MET 78 HG2 MET 78 -0.957 -13.045 -4.520 627 HG3 MET 78 HG3 MET 78 -1.426 -14.570 -5.245 628 HE1 MET 78 HE1 MET 78 -1.607 -16.461 -3.989 629 HE2 MET 78 HE2 MET 78 -0.930 -16.759 -2.370 630 HE3 MET 78 HE3 MET 78 -2.078 -15.423 -2.622 631 HA PRO 79 HA PRO 79 2.355 -10.075 -7.648 632 HB2 PRO 79 HB2 PRO 79 4.582 -10.773 -9.069 633 HB3 PRO 79 HB3 PRO 79 4.494 -10.860 -7.321 634 HG2 PRO 79 HG2 PRO 79 4.395 -13.060 -9.293 635 HG3 PRO 79 HG3 PRO 79 4.733 -13.140 -7.575 636 HD2 PRO 79 HD2 PRO 79 2.279 -13.856 -8.876 637 HD3 PRO 79 HD3 PRO 79 2.581 -13.826 -7.150 638 H ALA 80 H ALA 80 3.832 -9.138 -9.812 639 HA ALA 80 HA ALA 80 3.646 -8.539 -11.966 640 HB1 ALA 80 HB1 ALA 80 2.440 -10.917 -12.136 641 HB2 ALA 80 HB2 ALA 80 1.000 -9.896 -12.370 642 HB3 ALA 80 HB3 ALA 80 2.386 -9.747 -13.477 643 H GLY 81 H GLY 81 0.415 -8.764 -10.315 644 HA2 GLY 81 HA2 GLY 81 -0.610 -6.385 -11.415 645 HA3 GLY 81 HA3 GLY 81 -1.187 -7.221 -9.987 646 H LEU 82 H LEU 82 1.617 -7.054 -8.731 647 HA LEU 82 HA LEU 82 1.170 -4.729 -7.254 648 HB2 LEU 82 HB2 LEU 82 2.977 -6.955 -7.285 649 HB3 LEU 82 HB3 LEU 82 3.894 -5.479 -7.061 650 HG LEU 82 HG LEU 82 3.403 -6.262 -4.899 651 HD11 LEU 82 HD11 LEU 82 1.143 -4.415 -4.803 652 HD12 LEU 82 HD12 LEU 82 2.755 -4.302 -4.057 653 HD13 LEU 82 HD13 LEU 82 2.516 -3.782 -5.742 654 HD21 LEU 82 HD21 LEU 82 1.162 -7.455 -6.086 655 HD22 LEU 82 HD22 LEU 82 1.696 -7.586 -4.393 656 HD23 LEU 82 HD23 LEU 82 0.514 -6.340 -4.860 657 H VAL 83 H VAL 83 4.206 -5.297 -9.132 658 HA VAL 83 HA VAL 83 4.837 -2.643 -9.391 659 HB VAL 83 HB VAL 83 6.060 -3.570 -11.516 660 HG11 VAL 83 HG11 VAL 83 6.589 -3.593 -8.702 661 HG12 VAL 83 HG12 VAL 83 7.286 -5.064 -9.421 662 HG13 VAL 83 HG13 VAL 83 7.739 -3.463 -10.054 663 HG21 VAL 83 HG21 VAL 83 5.873 -5.745 -12.033 664 HG22 VAL 83 HG22 VAL 83 5.951 -6.246 -10.327 665 HG23 VAL 83 HG23 VAL 83 4.400 -5.733 -11.034 666 H ALA 84 H ALA 84 2.808 -4.736 -11.513 667 HA ALA 84 HA ALA 84 2.479 -2.935 -13.591 668 HB1 ALA 84 HB1 ALA 84 1.836 -5.281 -13.734 669 HB2 ALA 84 HB2 ALA 84 0.615 -5.059 -12.458 670 HB3 ALA 84 HB3 ALA 84 0.406 -4.266 -14.038 671 H GLY 85 H GLY 85 1.056 -3.076 -10.337 672 HA2 GLY 85 HA2 GLY 85 -1.086 -1.261 -10.881 673 HA3 GLY 85 HA3 GLY 85 -0.507 -1.798 -9.317 674 H LEU 86 H LEU 86 2.191 -1.005 -9.334 675 HA LEU 86 HA LEU 86 2.015 1.636 -8.576 676 HB2 LEU 86 HB2 LEU 86 4.148 1.387 -7.971 677 HB3 LEU 86 HB3 LEU 86 3.827 -0.304 -8.299 678 HG LEU 86 HG LEU 86 4.707 0.197 -10.685 679 HD11 LEU 86 HD11 LEU 86 5.258 2.298 -11.139 680 HD12 LEU 86 HD12 LEU 86 5.029 2.784 -9.442 681 HD13 LEU 86 HD13 LEU 86 6.601 2.145 -9.981 682 HD21 LEU 86 HD21 LEU 86 7.130 0.378 -9.226 683 HD22 LEU 86 HD22 LEU 86 5.983 -0.555 -8.235 684 HD23 LEU 86 HD23 LEU 86 6.345 -1.071 -9.899 685 H SER 87 H SER 87 3.029 0.196 -11.731 686 HA SER 87 HA SER 87 3.720 2.628 -12.877 687 HB2 SER 87 HB2 SER 87 3.125 -0.143 -13.838 688 HB3 SER 87 HB3 SER 87 3.007 1.125 -15.041 689 HG SER 87 HG SER 87 5.266 1.643 -13.712 690 H LEU 88 H LEU 88 0.710 0.603 -13.199 691 HA LEU 88 HA LEU 88 -0.699 2.333 -14.811 692 HB2 LEU 88 HB2 LEU 88 -1.207 -0.055 -14.122 693 HB3 LEU 88 HB3 LEU 88 -1.894 0.603 -12.650 694 HG LEU 88 HG LEU 88 -2.886 1.694 -15.249 695 HD11 LEU 88 HD11 LEU 88 -4.437 -0.124 -15.590 696 HD12 LEU 88 HD12 LEU 88 -2.772 -0.753 -15.616 697 HD13 LEU 88 HD13 LEU 88 -3.791 -0.991 -14.176 698 HD21 LEU 88 HD21 LEU 88 -5.044 1.218 -13.653 699 HD22 LEU 88 HD22 LEU 88 -3.768 1.503 -12.445 700 HD23 LEU 88 HD23 LEU 88 -4.111 2.734 -13.684 701 H MET 89 H MET 89 0.220 2.624 -11.442 702 HA MET 89 HA MET 89 -1.847 4.431 -10.770 703 HB2 MET 89 HB2 MET 89 -0.128 2.908 -9.327 704 HB3 MET 89 HB3 MET 89 0.830 4.376 -9.348 705 HG2 MET 89 HG2 MET 89 -1.941 5.039 -8.729 706 HG3 MET 89 HG3 MET 89 -1.391 3.772 -7.651 707 HE1 MET 89 HE1 MET 89 0.542 6.948 -9.339 708 HE2 MET 89 HE2 MET 89 -1.155 7.267 -8.910 709 HE3 MET 89 HE3 MET 89 0.156 8.054 -7.999 710 H MET 90 H MET 90 1.752 4.961 -10.952 711 HA MET 90 HA MET 90 1.681 7.659 -10.929 712 HB2 MET 90 HB2 MET 90 3.915 7.479 -12.137 713 HB3 MET 90 HB3 MET 90 3.771 6.364 -10.793 714 HG2 MET 90 HG2 MET 90 3.613 4.485 -12.174 715 HG3 MET 90 HG3 MET 90 2.854 5.371 -13.482 716 HE1 MET 90 HE1 MET 90 6.202 3.487 -13.085 717 HE2 MET 90 HE2 MET 90 7.212 4.818 -12.471 718 HE3 MET 90 HE3 MET 90 5.747 4.329 -11.585 719 H ILE 91 H ILE 91 0.752 5.489 -13.541 720 HA ILE 91 HA ILE 91 0.964 7.515 -15.570 721 HB ILE 91 HB ILE 91 0.133 4.654 -15.429 722 HG12 ILE 91 HG12 ILE 91 1.896 5.973 -17.483 723 HG13 ILE 91 HG13 ILE 91 2.509 5.635 -15.876 724 HG21 ILE 91 HG21 ILE 91 -1.688 5.722 -16.674 725 HG22 ILE 91 HG22 ILE 91 -0.503 6.473 -17.769 726 HG23 ILE 91 HG23 ILE 91 -0.680 4.702 -17.728 727 HD11 ILE 91 HD11 ILE 91 3.029 3.736 -17.310 728 HD12 ILE 91 HD12 ILE 91 1.777 3.228 -16.152 729 HD13 ILE 91 HD13 ILE 91 1.332 3.611 -17.832 730 H LEU 92 H LEU 92 -1.636 5.889 -13.657 731 HA LEU 92 HA LEU 92 -3.777 7.147 -14.883 732 HB2 LEU 92 HB2 LEU 92 -4.602 5.540 -13.592 733 HB3 LEU 92 HB3 LEU 92 -3.250 5.593 -12.479 734 HG LEU 92 HG LEU 92 -5.392 7.710 -12.387 735 HD11 LEU 92 HD11 LEU 92 -5.983 5.014 -12.112 736 HD12 LEU 92 HD12 LEU 92 -5.762 5.576 -10.438 737 HD13 LEU 92 HD13 LEU 92 -6.942 6.382 -11.498 738 HD21 LEU 92 HD21 LEU 92 -4.090 6.691 -9.937 739 HD22 LEU 92 HD22 LEU 92 -3.023 7.532 -11.086 740 HD23 LEU 92 HD23 LEU 92 -4.463 8.356 -10.441 741 H ARG 93 H ARG 93 -1.384 8.320 -12.553 742 HA ARG 93 HA ARG 93 -2.975 10.590 -11.896 743 HB2 ARG 93 HB2 ARG 93 -0.429 9.375 -11.008 744 HB3 ARG 93 HB3 ARG 93 -0.331 11.123 -11.084 745 HG2 ARG 93 HG2 ARG 93 -2.593 9.636 -9.673 746 HG3 ARG 93 HG3 ARG 93 -1.140 10.173 -8.853 747 HD2 ARG 93 HD2 ARG 93 -1.625 12.530 -9.479 748 HD3 ARG 93 HD3 ARG 93 -3.038 12.021 -10.382 749 HE ARG 93 HE ARG 93 -3.129 11.078 -7.630 750 HH11 ARG 93 HH22 ARG 93 -3.717 13.876 -9.681 751 HH12 ARG 93 HH21 ARG 93 -4.869 14.586 -8.600 752 HH21 ARG 93 HH12 ARG 93 -4.649 12.015 -6.204 753 HH22 ARG 93 HH11 ARG 93 -5.403 13.520 -6.609 754 H LEU 94 H LEU 94 0.124 9.929 -13.683 755 HA LEU 94 HA LEU 94 0.497 12.576 -14.523 756 HB2 LEU 94 HB2 LEU 94 2.045 10.435 -14.453 757 HB3 LEU 94 HB3 LEU 94 1.501 10.254 -16.109 758 HG LEU 94 HG LEU 94 2.254 12.942 -15.931 759 HD11 LEU 94 HD11 LEU 94 4.559 12.859 -15.056 760 HD12 LEU 94 HD12 LEU 94 3.336 12.574 -13.795 761 HD13 LEU 94 HD13 LEU 94 4.259 11.207 -14.464 762 HD21 LEU 94 HD21 LEU 94 4.247 12.115 -17.295 763 HD22 LEU 94 HD22 LEU 94 3.575 10.482 -17.077 764 HD23 LEU 94 HD23 LEU 94 2.621 11.732 -17.911 765 H VAL 95 H VAL 95 -1.792 10.148 -15.438 766 HA VAL 95 HA VAL 95 -2.112 10.981 -18.139 767 HB VAL 95 HB VAL 95 -3.570 9.228 -16.197 768 HG11 VAL 95 HG11 VAL 95 -4.779 10.628 -18.479 769 HG12 VAL 95 HG12 VAL 95 -4.951 8.858 -18.558 770 HG13 VAL 95 HG13 VAL 95 -5.544 9.747 -17.134 771 HG21 VAL 95 HG21 VAL 95 -2.961 8.297 -18.928 772 HG22 VAL 95 HG22 VAL 95 -1.534 8.777 -17.978 773 HG23 VAL 95 HG23 VAL 95 -2.642 7.532 -17.354 774 H LEU 96 H LEU 96 -4.500 11.178 -15.410 775 HA LEU 96 HA LEU 96 -6.038 13.139 -16.572 776 HB2 LEU 96 HB2 LEU 96 -7.215 13.137 -14.637 777 HB3 LEU 96 HB3 LEU 96 -6.374 11.606 -14.493 778 HG LEU 96 HG LEU 96 -4.664 13.474 -13.280 779 HD11 LEU 96 HD11 LEU 96 -6.368 15.157 -13.191 780 HD12 LEU 96 HD12 LEU 96 -7.552 14.001 -12.537 781 HD13 LEU 96 HD13 LEU 96 -6.153 14.493 -11.553 782 HD21 LEU 96 HD21 LEU 96 -6.530 11.889 -11.585 783 HD22 LEU 96 HD22 LEU 96 -5.516 11.003 -12.749 784 HD23 LEU 96 HD23 LEU 96 -4.758 12.043 -11.519 785 H LEU 97 H LEU 97 -2.969 13.365 -14.793 786 HA LEU 97 HA LEU 97 -1.799 15.140 -14.090 787 HB2 LEU 97 HB2 LEU 97 -1.542 14.812 -16.649 788 HB3 LEU 97 HB3 LEU 97 -2.426 16.320 -16.778 789 HG LEU 97 HG LEU 97 0.029 16.150 -15.044 790 HD11 LEU 97 HD11 LEU 97 -0.064 15.846 -17.946 791 HD12 LEU 97 HD12 LEU 97 0.921 17.235 -17.427 792 HD13 LEU 97 HD13 LEU 97 1.282 15.606 -16.806 793 HD21 LEU 97 HD21 LEU 97 0.124 18.592 -16.027 794 HD22 LEU 97 HD22 LEU 97 -1.610 18.310 -16.311 795 HD23 LEU 97 HD23 LEU 97 -0.946 18.189 -14.663 796 H LEU 98 H LEU 98 -4.117 15.378 -12.794 797 HA LEU 98 HA LEU 98 -5.764 16.744 -12.106 798 HB2 LEU 98 HB2 LEU 98 -3.828 18.989 -12.052 799 HB3 LEU 98 HB3 LEU 98 -4.883 18.372 -10.796 800 HG LEU 98 HG LEU 98 -3.130 16.286 -11.082 801 HD11 LEU 98 HD11 LEU 98 -1.905 18.329 -12.516 802 HD12 LEU 98 HD12 LEU 98 -1.096 18.361 -10.930 803 HD13 LEU 98 HD13 LEU 98 -1.133 16.856 -11.881 804 HD21 LEU 98 HD21 LEU 98 -3.034 18.681 -9.236 805 HD22 LEU 98 HD22 LEU 98 -3.810 17.103 -8.956 806 HD23 LEU 98 HD23 LEU 98 -2.035 17.224 -9.018 807 H LEU 99 H LEU 99 -5.875 16.491 -14.929 808 HA LEU 99 HA LEU 99 -5.798 18.675 -16.476 809 HB2 LEU 99 HB2 LEU 99 -7.109 16.168 -16.480 810 HB3 LEU 99 HB3 LEU 99 -8.313 17.365 -16.915 811 HG LEU 99 HG LEU 99 -5.625 17.104 -18.288 812 HD11 LEU 99 HD11 LEU 99 -6.388 15.316 -19.353 813 HD12 LEU 99 HD12 LEU 99 -7.945 15.422 -18.496 814 HD13 LEU 99 HD13 LEU 99 -7.707 16.306 -20.023 815 HD21 LEU 99 HD21 LEU 99 -8.131 18.598 -19.108 816 HD22 LEU 99 HD22 LEU 99 -6.653 19.331 -18.442 817 HD23 LEU 99 HD23 LEU 99 -6.604 18.506 -20.018 Start of MODEL 18 1 H MET 1 H1 MET 1 12.605 -5.584 -20.421 2 HA MET 1 HA MET 1 14.329 -4.005 -20.675 3 HB2 MET 1 HB2 MET 1 15.966 -6.465 -19.999 4 HB3 MET 1 HB3 MET 1 16.714 -5.254 -21.021 5 HG2 MET 1 HG2 MET 1 17.134 -3.944 -19.216 6 HG3 MET 1 HG3 MET 1 15.426 -3.877 -18.833 7 HE1 MET 1 HE1 MET 1 17.072 -4.483 -15.592 8 HE2 MET 1 HE2 MET 1 18.523 -4.870 -16.547 9 HE3 MET 1 HE3 MET 1 17.480 -3.510 -17.025 10 H ASP 2 H ASP 2 14.730 -3.347 -22.791 11 HA ASP 2 HA ASP 2 15.433 -5.152 -24.796 12 HB2 ASP 2 HB2 ASP 2 12.614 -4.967 -24.243 13 HB3 ASP 2 HB3 ASP 2 12.894 -4.139 -25.762 14 H LEU 3 H LEU 3 15.911 -3.944 -26.796 15 HA LEU 3 HA LEU 3 16.719 -1.364 -26.484 16 HB2 LEU 3 HB2 LEU 3 16.280 -3.223 -28.701 17 HB3 LEU 3 HB3 LEU 3 16.142 -1.541 -29.173 18 HG LEU 3 HG LEU 3 18.482 -1.877 -27.522 19 HD11 LEU 3 HD11 LEU 3 19.633 -3.615 -28.377 20 HD12 LEU 3 HD12 LEU 3 18.008 -4.251 -28.727 21 HD13 LEU 3 HD13 LEU 3 18.933 -3.425 -30.003 22 HD21 LEU 3 HD21 LEU 3 19.589 -0.789 -29.334 23 HD22 LEU 3 HD22 LEU 3 18.299 -1.238 -30.475 24 HD23 LEU 3 HD23 LEU 3 17.971 -0.064 -29.178 25 H ILE 4 H ILE 4 13.829 -2.256 -28.499 26 HA ILE 4 HA ILE 4 12.783 0.220 -28.754 27 HB ILE 4 HB ILE 4 11.770 -1.414 -29.996 28 HG12 ILE 4 HG12 ILE 4 9.574 -1.466 -28.004 29 HG13 ILE 4 HG13 ILE 4 10.172 0.127 -28.424 30 HG21 ILE 4 HG21 ILE 4 10.577 -3.348 -28.432 31 HG22 ILE 4 HG22 ILE 4 12.109 -3.514 -29.323 32 HG23 ILE 4 HG23 ILE 4 12.125 -3.057 -27.603 33 HD11 ILE 4 HD11 ILE 4 8.709 -1.853 -30.103 34 HD12 ILE 4 HD12 ILE 4 8.708 -0.075 -30.179 35 HD13 ILE 4 HD13 ILE 4 10.038 -0.998 -30.921 36 H GLY 5 H GLY 5 10.941 -1.908 -26.545 37 HA2 GLY 5 HA2 GLY 5 10.441 -1.624 -24.327 38 HA3 GLY 5 HA3 GLY 5 11.392 -0.153 -24.279 39 H PHE 6 H PHE 6 10.258 1.314 -26.444 40 HA PHE 6 HA PHE 6 8.064 2.459 -25.186 41 HB2 PHE 6 HB2 PHE 6 9.808 3.071 -27.214 42 HB3 PHE 6 HB3 PHE 6 8.448 2.563 -28.195 43 HD1 PHE 6 HD2 PHE 6 8.915 4.667 -25.134 44 HD2 PHE 6 HD1 PHE 6 7.166 4.294 -28.983 45 HE1 PHE 6 HE2 PHE 6 7.886 6.943 -24.887 46 HE2 PHE 6 HE1 PHE 6 6.138 6.571 -28.736 47 HZ PHE 6 HZ PHE 6 6.510 7.868 -26.691 48 H GLY 7 H GLY 7 8.094 0.646 -28.346 49 HA2 GLY 7 HA2 GLY 7 5.434 0.453 -28.810 50 HA3 GLY 7 HA3 GLY 7 6.591 -0.801 -29.210 51 H TYR 8 H TYR 8 7.407 -1.723 -26.674 52 HA TYR 8 HA TYR 8 5.380 -3.501 -26.042 53 HB2 TYR 8 HB2 TYR 8 8.006 -3.321 -25.562 54 HB3 TYR 8 HB3 TYR 8 7.527 -2.435 -24.128 55 HD1 TYR 8 HD2 TYR 8 7.338 -5.726 -25.826 56 HD2 TYR 8 HD1 TYR 8 6.649 -3.562 -22.200 57 HE1 TYR 8 HE2 TYR 8 7.017 -7.914 -24.572 58 HE2 TYR 8 HE1 TYR 8 6.330 -5.758 -20.959 59 HH TYR 8 HH TYR 8 6.350 -7.910 -21.080 60 H ALA 9 H ALA 9 6.384 -0.429 -24.403 61 HA ALA 9 HA ALA 9 4.424 -0.698 -22.366 62 HB1 ALA 9 HB1 ALA 9 5.762 1.874 -23.245 63 HB2 ALA 9 HB2 ALA 9 5.249 1.385 -21.612 64 HB3 ALA 9 HB3 ALA 9 6.660 0.610 -22.371 65 H ALA 10 H ALA 10 4.552 0.681 -25.643 66 HA ALA 10 HA ALA 10 2.295 2.331 -25.420 67 HB1 ALA 10 HB1 ALA 10 2.320 1.853 -28.016 68 HB2 ALA 10 HB2 ALA 10 3.647 2.771 -27.264 69 HB3 ALA 10 HB3 ALA 10 3.864 1.046 -27.650 70 H LEU 11 H LEU 11 2.641 -0.959 -26.943 71 HA LEU 11 HA LEU 11 -0.074 -1.351 -27.312 72 HB2 LEU 11 HB2 LEU 11 0.466 -3.531 -27.874 73 HB3 LEU 11 HB3 LEU 11 1.893 -2.603 -28.291 74 HG LEU 11 HG LEU 11 2.664 -3.347 -25.852 75 HD11 LEU 11 HD11 LEU 11 1.904 -5.853 -25.705 76 HD12 LEU 11 HD12 LEU 11 0.907 -4.559 -24.997 77 HD13 LEU 11 HD13 LEU 11 0.470 -5.256 -26.575 78 HD21 LEU 11 HD21 LEU 11 2.837 -5.419 -28.025 79 HD22 LEU 11 HD22 LEU 11 3.619 -3.831 -28.212 80 HD23 LEU 11 HD23 LEU 11 4.073 -4.892 -26.857 81 H VAL 12 H VAL 12 2.061 -2.068 -24.500 82 HA VAL 12 HA VAL 12 0.285 -3.530 -22.998 83 HB VAL 12 HB VAL 12 2.561 -1.680 -22.398 84 HG11 VAL 12 HG11 VAL 12 1.655 -1.213 -20.383 85 HG12 VAL 12 HG12 VAL 12 0.477 -2.544 -20.488 86 HG13 VAL 12 HG13 VAL 12 2.150 -2.873 -19.975 87 HG21 VAL 12 HG21 VAL 12 3.748 -3.632 -21.895 88 HG22 VAL 12 HG22 VAL 12 2.268 -4.580 -21.619 89 HG23 VAL 12 HG23 VAL 12 2.729 -4.112 -23.273 90 H THR 13 H THR 13 0.753 0.070 -23.075 91 HA THR 13 HA THR 13 -1.307 0.622 -21.255 92 HB THR 13 HB THR 13 -0.039 2.265 -23.510 93 HG1 THR 13 HG1 THR 13 1.435 2.708 -21.830 94 HG21 THR 13 HG21 THR 13 -1.675 3.060 -21.047 95 HG22 THR 13 HG22 THR 13 -0.643 4.194 -21.951 96 HG23 THR 13 HG23 THR 13 -2.049 3.443 -22.744 97 H PHE 14 H PHE 14 -1.315 -0.033 -24.754 98 HA PHE 14 HA PHE 14 -3.869 0.978 -25.262 99 HB2 PHE 14 HB2 PHE 14 -1.835 0.044 -26.749 100 HB3 PHE 14 HB3 PHE 14 -2.637 -1.502 -26.557 101 HD1 PHE 14 HD1 PHE 14 -5.422 -1.012 -26.863 102 HD2 PHE 14 HD2 PHE 14 -2.192 0.883 -28.859 103 HE1 PHE 14 HE1 PHE 14 -6.933 -0.468 -28.792 104 HE2 PHE 14 HE2 PHE 14 -3.703 1.427 -30.788 105 HZ PHE 14 HZ PHE 14 -6.056 0.745 -30.731 106 H GLY 15 H GLY 15 -2.765 -2.435 -24.645 107 HA2 GLY 15 HA2 GLY 15 -5.352 -3.542 -24.620 108 HA3 GLY 15 HA3 GLY 15 -3.894 -4.252 -23.954 109 H SER 16 H SER 16 -3.444 -1.774 -22.197 110 HA SER 16 HA SER 16 -4.832 -2.786 -19.979 111 HB2 SER 16 HB2 SER 16 -2.640 -1.032 -20.475 112 HB3 SER 16 HB3 SER 16 -3.794 -0.103 -19.540 113 HG SER 16 HG SER 16 -2.598 -1.154 -17.996 114 H ILE 17 H ILE 17 -5.100 0.220 -21.987 115 HA ILE 17 HA ILE 17 -7.189 1.349 -20.497 116 HB ILE 17 HB ILE 17 -6.242 1.734 -23.333 117 HG12 ILE 17 HG12 ILE 17 -5.894 3.506 -20.901 118 HG13 ILE 17 HG13 ILE 17 -4.712 2.317 -21.411 119 HG21 ILE 17 HG21 ILE 17 -7.624 3.658 -23.531 120 HG22 ILE 17 HG22 ILE 17 -8.674 2.311 -23.028 121 HG23 ILE 17 HG23 ILE 17 -8.161 3.532 -21.839 122 HD11 ILE 17 HD11 ILE 17 -5.757 4.550 -23.210 123 HD12 ILE 17 HD12 ILE 17 -4.241 4.634 -22.280 124 HD13 ILE 17 HD13 ILE 17 -4.426 3.425 -23.574 125 H PHE 18 H PHE 18 -7.114 -0.828 -23.375 126 HA PHE 18 HA PHE 18 -9.838 -0.793 -23.882 127 HB2 PHE 18 HB2 PHE 18 -7.548 -1.931 -24.922 128 HB3 PHE 18 HB3 PHE 18 -8.222 -3.342 -24.131 129 HD1 PHE 18 HD1 PHE 18 -11.035 -3.239 -24.576 130 HD2 PHE 18 HD2 PHE 18 -7.916 -2.033 -27.189 131 HE1 PHE 18 HE1 PHE 18 -12.537 -3.627 -26.549 132 HE2 PHE 18 HE2 PHE 18 -9.418 -2.421 -29.162 133 HZ PHE 18 HZ PHE 18 -11.711 -3.213 -28.818 134 H GLY 19 H GLY 19 -7.861 -2.909 -21.712 135 HA2 GLY 19 HA2 GLY 19 -8.761 -3.634 -19.642 136 HA3 GLY 19 HA3 GLY 19 -10.363 -3.666 -20.350 137 H TYR 20 H TYR 20 -9.886 -5.005 -22.807 138 HA TYR 20 HA TYR 20 -10.076 -7.146 -23.463 139 HB2 TYR 20 HB2 TYR 20 -7.297 -6.499 -22.462 140 HB3 TYR 20 HB3 TYR 20 -7.585 -8.196 -22.791 141 HD1 TYR 20 HD1 TYR 20 -8.939 -8.529 -25.172 142 HD2 TYR 20 HD2 TYR 20 -6.298 -5.313 -24.177 143 HE1 TYR 20 HE1 TYR 20 -8.494 -8.120 -27.642 144 HE2 TYR 20 HE2 TYR 20 -5.862 -4.915 -26.650 145 HH TYR 20 HH TYR 20 -6.577 -7.121 -28.983 146 H LYS 21 H LYS 21 -11.699 -7.996 -22.047 147 HA LYS 21 HA LYS 21 -11.473 -8.786 -19.494 148 HB2 LYS 21 HB2 LYS 21 -13.388 -8.993 -21.327 149 HB3 LYS 21 HB3 LYS 21 -12.841 -10.656 -21.389 150 HG2 LYS 21 HG2 LYS 21 -13.834 -11.139 -19.405 151 HG3 LYS 21 HG3 LYS 21 -13.033 -9.799 -18.610 152 HD2 LYS 21 HD2 LYS 21 -14.773 -8.235 -19.560 153 HD3 LYS 21 HD3 LYS 21 -15.594 -9.612 -20.267 154 HE2 LYS 21 HE2 LYS 21 -16.647 -10.039 -18.304 155 HE3 LYS 21 HE3 LYS 21 -15.110 -10.206 -17.480 156 HZ1 LYS 21 HZ1 LYS 21 -16.652 -8.382 -16.727 157 HZ2 LYS 21 HZ2 LYS 21 -15.091 -7.964 -16.962 158 HZ3 LYS 21 HZ3 LYS 21 -16.219 -7.565 -18.073 159 H ARG 22 H ARG 22 -9.941 -9.904 -18.423 160 HA ARG 22 HA ARG 22 -9.288 -12.495 -19.291 161 HB2 ARG 22 HB2 ARG 22 -7.626 -10.387 -20.295 162 HB3 ARG 22 HB3 ARG 22 -6.696 -11.179 -19.039 163 HG2 ARG 22 HG2 ARG 22 -6.777 -13.296 -20.130 164 HG3 ARG 22 HG3 ARG 22 -8.151 -12.843 -21.118 165 HD2 ARG 22 HD2 ARG 22 -6.080 -10.956 -21.717 166 HD3 ARG 22 HD3 ARG 22 -5.315 -12.532 -21.696 167 HE ARG 22 HE ARG 22 -7.846 -12.534 -23.159 168 HH11 ARG 22 HH22 ARG 22 -4.398 -11.873 -23.403 169 HH12 ARG 22 HH21 ARG 22 -4.345 -12.104 -25.119 170 HH21 ARG 22 HH12 ARG 22 -7.776 -12.839 -25.423 171 HH22 ARG 22 HH11 ARG 22 -6.279 -12.657 -26.275 172 H ARG 23 H ARG 23 -7.896 -13.622 -17.643 173 HA ARG 23 HA ARG 23 -8.367 -12.436 -15.084 174 HB2 ARG 23 HB2 ARG 23 -8.232 -15.084 -16.117 175 HB3 ARG 23 HB3 ARG 23 -6.861 -14.955 -15.033 176 HG2 ARG 23 HG2 ARG 23 -8.378 -14.115 -13.222 177 HG3 ARG 23 HG3 ARG 23 -9.747 -14.259 -14.307 178 HD2 ARG 23 HD2 ARG 23 -8.545 -16.789 -14.475 179 HD3 ARG 23 HD3 ARG 23 -8.332 -16.365 -12.789 180 HE ARG 23 HE ARG 23 -10.969 -15.696 -13.239 181 HH11 ARG 23 HH22 ARG 23 -9.094 -18.614 -13.833 182 HH12 ARG 23 HH21 ARG 23 -10.449 -19.676 -13.647 183 HH21 ARG 23 HH12 ARG 23 -12.757 -17.097 -12.994 184 HH22 ARG 23 HH11 ARG 23 -12.547 -18.808 -13.166 185 H GLY 24 H GLY 24 -5.513 -14.327 -16.313 186 HA2 GLY 24 HA2 GLY 24 -3.316 -14.110 -15.808 187 HA3 GLY 24 HA3 GLY 24 -3.556 -12.492 -16.438 188 H GLY 25 H GLY 25 -4.405 -14.276 -13.375 189 HA2 GLY 25 HA2 GLY 25 -3.465 -13.806 -11.290 190 HA3 GLY 25 HA3 GLY 25 -2.959 -12.226 -11.855 191 H VAL 26 H VAL 26 -5.528 -14.107 -10.382 192 HA VAL 26 HA VAL 26 -7.572 -12.158 -10.709 193 HB VAL 26 HB VAL 26 -7.185 -14.777 -9.471 194 HG11 VAL 26 HG11 VAL 26 -9.033 -14.563 -7.845 195 HG12 VAL 26 HG12 VAL 26 -7.633 -13.555 -7.406 196 HG13 VAL 26 HG13 VAL 26 -9.073 -12.807 -8.136 197 HG21 VAL 26 HG21 VAL 26 -9.126 -13.328 -11.150 198 HG22 VAL 26 HG22 VAL 26 -8.624 -15.035 -11.184 199 HG23 VAL 26 HG23 VAL 26 -9.858 -14.493 -10.021 200 HA PRO 27 HA PRO 27 -6.171 -10.987 -6.346 201 HB2 PRO 27 HB2 PRO 27 -3.855 -12.014 -5.323 202 HB3 PRO 27 HB3 PRO 27 -5.435 -12.692 -4.985 203 HG2 PRO 27 HG2 PRO 27 -3.322 -13.721 -6.778 204 HG3 PRO 27 HG3 PRO 27 -4.700 -14.569 -6.104 205 HD2 PRO 27 HD2 PRO 27 -4.428 -13.597 -8.789 206 HD3 PRO 27 HD3 PRO 27 -5.849 -14.341 -8.082 207 H SER 28 H SER 28 -4.523 -10.905 -9.138 208 HA SER 28 HA SER 28 -2.483 -9.123 -8.241 209 HB2 SER 28 HB2 SER 28 -3.327 -10.323 -10.870 210 HB3 SER 28 HB3 SER 28 -2.356 -8.865 -10.917 211 HG SER 28 HG SER 28 -1.461 -10.894 -9.149 212 H LEU 29 H LEU 29 -5.143 -8.820 -10.719 213 HA LEU 29 HA LEU 29 -5.127 -6.172 -11.103 214 HB2 LEU 29 HB2 LEU 29 -7.609 -6.376 -11.446 215 HB3 LEU 29 HB3 LEU 29 -6.591 -7.468 -12.364 216 HG LEU 29 HG LEU 29 -7.191 -8.933 -10.079 217 HD11 LEU 29 HD11 LEU 29 -9.114 -8.299 -9.179 218 HD12 LEU 29 HD12 LEU 29 -9.123 -6.870 -10.240 219 HD13 LEU 29 HD13 LEU 29 -9.918 -8.374 -10.765 220 HD21 LEU 29 HD21 LEU 29 -8.774 -10.152 -11.662 221 HD22 LEU 29 HD22 LEU 29 -8.339 -8.921 -12.872 222 HD23 LEU 29 HD23 LEU 29 -7.081 -9.976 -12.185 223 H ILE 30 H ILE 30 -7.175 -7.752 -8.543 224 HA ILE 30 HA ILE 30 -8.075 -5.508 -7.325 225 HB ILE 30 HB ILE 30 -8.957 -7.525 -6.624 226 HG12 ILE 30 HG12 ILE 30 -8.618 -7.612 -4.200 227 HG13 ILE 30 HG13 ILE 30 -7.143 -6.677 -4.346 228 HG21 ILE 30 HG21 ILE 30 -7.771 -9.388 -6.836 229 HG22 ILE 30 HG22 ILE 30 -6.242 -8.476 -6.848 230 HG23 ILE 30 HG23 ILE 30 -6.958 -8.993 -5.302 231 HD11 ILE 30 HD11 ILE 30 -9.250 -5.357 -3.713 232 HD12 ILE 30 HD12 ILE 30 -8.325 -4.718 -5.094 233 HD13 ILE 30 HD13 ILE 30 -9.818 -5.646 -5.375 234 H ALA 31 H ALA 31 -4.853 -7.069 -6.968 235 HA ALA 31 HA ALA 31 -3.930 -5.565 -4.840 236 HB1 ALA 31 HB1 ALA 31 -1.862 -6.481 -5.371 237 HB2 ALA 31 HB2 ALA 31 -2.952 -7.608 -6.213 238 HB3 ALA 31 HB3 ALA 31 -2.123 -6.324 -7.124 239 H GLY 32 H GLY 32 -3.604 -4.943 -8.407 240 HA2 GLY 32 HA2 GLY 32 -2.256 -2.531 -8.252 241 HA3 GLY 32 HA3 GLY 32 -3.325 -3.028 -9.549 242 H LEU 33 H LEU 33 -5.841 -3.023 -8.686 243 HA LEU 33 HA LEU 33 -6.602 -0.422 -8.566 244 HB2 LEU 33 HB2 LEU 33 -8.164 -2.075 -9.145 245 HB3 LEU 33 HB3 LEU 33 -7.930 -2.958 -7.649 246 HG LEU 33 HG LEU 33 -8.847 -0.313 -7.010 247 HD11 LEU 33 HD11 LEU 33 -10.802 -1.741 -8.808 248 HD12 LEU 33 HD12 LEU 33 -10.872 -0.084 -8.162 249 HD13 LEU 33 HD13 LEU 33 -9.688 -0.497 -9.425 250 HD21 LEU 33 HD21 LEU 33 -10.609 -1.505 -5.862 251 HD22 LEU 33 HD22 LEU 33 -10.250 -2.989 -6.778 252 HD23 LEU 33 HD23 LEU 33 -9.059 -2.347 -5.620 253 H PHE 34 H PHE 34 -5.910 -2.650 -5.812 254 HA PHE 34 HA PHE 34 -6.715 -0.981 -3.775 255 HB2 PHE 34 HB2 PHE 34 -5.694 -3.477 -3.998 256 HB3 PHE 34 HB3 PHE 34 -4.175 -2.668 -3.664 257 HD1 PHE 34 HD2 PHE 34 -7.657 -2.692 -2.292 258 HD2 PHE 34 HD1 PHE 34 -3.494 -2.658 -1.470 259 HE1 PHE 34 HE2 PHE 34 -8.142 -2.797 0.168 260 HE2 PHE 34 HE1 PHE 34 -3.979 -2.763 0.990 261 HZ PHE 34 HZ PHE 34 -6.298 -2.832 1.780 262 H VAL 35 H VAL 35 -3.368 -1.376 -5.153 263 HA VAL 35 HA VAL 35 -2.097 0.487 -3.626 264 HB VAL 35 HB VAL 35 -1.757 -0.529 -6.422 265 HG11 VAL 35 HG11 VAL 35 -0.482 1.898 -5.265 266 HG12 VAL 35 HG12 VAL 35 0.594 0.749 -6.096 267 HG13 VAL 35 HG13 VAL 35 -0.790 1.458 -6.962 268 HG21 VAL 35 HG21 VAL 35 0.493 -1.203 -5.275 269 HG22 VAL 35 HG22 VAL 35 -0.384 -0.860 -3.765 270 HG23 VAL 35 HG23 VAL 35 -0.996 -2.097 -4.888 271 H GLY 36 H GLY 36 -4.158 0.977 -6.534 272 HA2 GLY 36 HA2 GLY 36 -3.627 3.752 -6.793 273 HA3 GLY 36 HA3 GLY 36 -4.955 2.852 -7.497 274 H CYS 37 H CYS 37 -6.003 1.787 -4.940 275 HA CYS 37 HA CYS 37 -7.762 3.837 -4.333 276 HB2 CYS 37 HB2 CYS 37 -7.593 1.132 -3.780 277 HB3 CYS 37 HB3 CYS 37 -7.403 1.850 -2.193 278 HG CYS 37 HG CYS 37 -9.920 1.252 -2.561 279 H LEU 38 H LEU 38 -4.908 2.505 -2.509 280 HA LEU 38 HA LEU 38 -5.062 4.417 -0.452 281 HB2 LEU 38 HB2 LEU 38 -3.243 3.377 0.422 282 HB3 LEU 38 HB3 LEU 38 -3.903 2.101 -0.581 283 HG LEU 38 HG LEU 38 -2.208 3.121 -2.372 284 HD11 LEU 38 HD11 LEU 38 -0.133 3.872 -1.349 285 HD12 LEU 38 HD12 LEU 38 -1.474 4.959 -0.917 286 HD13 LEU 38 HD13 LEU 38 -0.871 3.776 0.268 287 HD21 LEU 38 HD21 LEU 38 -0.913 1.420 -0.290 288 HD22 LEU 38 HD22 LEU 38 -2.379 0.806 -1.090 289 HD23 LEU 38 HD23 LEU 38 -0.953 1.243 -2.061 290 H ALA 39 H ALA 39 -3.655 4.392 -3.706 291 HA ALA 39 HA ALA 39 -1.807 6.434 -3.417 292 HB1 ALA 39 HB1 ALA 39 -3.448 6.233 -5.918 293 HB2 ALA 39 HB2 ALA 39 -1.682 6.331 -5.717 294 HB3 ALA 39 HB3 ALA 39 -2.529 4.796 -5.409 295 H GLY 40 H GLY 40 -5.317 6.583 -4.340 296 HA2 GLY 40 HA2 GLY 40 -5.330 9.453 -4.346 297 HA3 GLY 40 HA3 GLY 40 -6.699 8.372 -4.514 298 H TYR 41 H TYR 41 -7.260 7.073 -2.386 299 HA TYR 41 HA TYR 41 -8.190 8.762 -0.501 300 HB2 TYR 41 HB2 TYR 41 -8.438 6.180 -0.913 301 HB3 TYR 41 HB3 TYR 41 -6.960 5.986 0.009 302 HD1 TYR 41 HD2 TYR 41 -10.412 7.407 0.272 303 HD2 TYR 41 HD1 TYR 41 -7.049 5.761 2.342 304 HE1 TYR 41 HE2 TYR 41 -11.756 7.356 2.429 305 HE2 TYR 41 HE1 TYR 41 -8.405 5.714 4.492 306 HH TYR 41 HH TYR 41 -10.379 5.955 5.378 307 H GLY 42 H GLY 42 -4.854 7.658 -0.905 308 HA2 GLY 42 HA2 GLY 42 -4.053 8.407 1.771 309 HA3 GLY 42 HA3 GLY 42 -3.035 7.843 0.461 310 H ALA 43 H ALA 43 -3.388 9.581 -1.613 311 HA ALA 43 HA ALA 43 -1.817 11.709 -1.035 312 HB1 ALA 43 HB1 ALA 43 -4.044 11.896 -3.075 313 HB2 ALA 43 HB2 ALA 43 -2.370 12.491 -3.187 314 HB3 ALA 43 HB3 ALA 43 -2.703 10.745 -3.283 315 H TYR 44 H TYR 44 -5.336 11.357 -0.549 316 HA TYR 44 HA TYR 44 -6.046 13.997 -0.235 317 HB2 TYR 44 HB2 TYR 44 -7.124 11.433 0.043 318 HB3 TYR 44 HB3 TYR 44 -7.063 11.935 1.721 319 HD1 TYR 44 HD1 TYR 44 -8.318 14.004 2.443 320 HD2 TYR 44 HD2 TYR 44 -8.782 12.288 -1.449 321 HE1 TYR 44 HE1 TYR 44 -10.497 15.278 2.133 322 HE2 TYR 44 HE2 TYR 44 -10.959 13.568 -1.745 323 HH TYR 44 HH TYR 44 -12.032 15.508 -0.911 324 H ARG 45 H ARG 45 -4.261 11.825 1.965 325 HA ARG 45 HA ARG 45 -4.237 14.017 3.879 326 HB2 ARG 45 HB2 ARG 45 -4.944 11.346 4.293 327 HB3 ARG 45 HB3 ARG 45 -3.274 11.368 4.824 328 HG2 ARG 45 HG2 ARG 45 -4.493 13.739 5.877 329 HG3 ARG 45 HG3 ARG 45 -5.620 12.429 6.168 330 HD2 ARG 45 HD2 ARG 45 -3.860 11.100 7.285 331 HD3 ARG 45 HD3 ARG 45 -2.653 12.309 6.893 332 HE ARG 45 HE ARG 45 -4.901 13.440 8.370 333 HH11 ARG 45 HH22 ARG 45 -1.861 11.700 8.706 334 HH12 ARG 45 HH21 ARG 45 -1.590 12.230 10.333 335 HH21 ARG 45 HH12 ARG 45 -4.544 14.140 10.516 336 HH22 ARG 45 HH11 ARG 45 -3.127 13.627 11.369 337 H VAL 46 H VAL 46 -2.406 12.007 1.689 338 HA VAL 46 HA VAL 46 0.121 12.461 2.993 339 HB VAL 46 HB VAL 46 -0.883 11.022 0.577 340 HG11 VAL 46 HG11 VAL 46 1.983 11.910 1.003 341 HG12 VAL 46 HG12 VAL 46 1.531 10.535 -0.033 342 HG13 VAL 46 HG13 VAL 46 0.949 12.172 -0.422 343 HG21 VAL 46 HG21 VAL 46 -0.728 9.938 2.818 344 HG22 VAL 46 HG22 VAL 46 0.262 9.139 1.573 345 HG23 VAL 46 HG23 VAL 46 1.033 10.194 2.782 346 H SER 47 H SER 47 -1.960 14.515 1.536 347 HA SER 47 HA SER 47 -0.802 15.713 -0.536 348 HB2 SER 47 HB2 SER 47 -2.920 16.365 0.793 349 HB3 SER 47 HB3 SER 47 -1.867 17.312 1.825 350 HG SER 47 HG SER 47 -2.936 18.383 -0.136 351 H ASN 48 H ASN 48 0.453 17.909 -0.574 352 HA ASN 48 HA ASN 48 2.083 19.235 0.110 353 HB2 ASN 48 HB2 ASN 48 1.466 18.293 2.562 354 HB3 ASN 48 HB3 ASN 48 2.974 17.422 2.368 355 HD21 ASN 48 HD21 ASN 48 3.041 19.027 4.363 356 HD22 ASN 48 HD22 ASN 48 3.893 20.507 4.071 357 H ASP 49 H ASP 49 2.846 15.766 0.968 358 HA ASP 49 HA ASP 49 5.447 15.854 0.048 359 HB2 ASP 49 HB2 ASP 49 3.755 13.989 1.276 360 HB3 ASP 49 HB3 ASP 49 4.087 13.244 -0.275 361 H LYS 50 H LYS 50 2.290 15.096 -1.502 362 HA LYS 50 HA LYS 50 1.707 14.597 -3.582 363 HB2 LYS 50 HB2 LYS 50 3.084 17.013 -3.569 364 HB3 LYS 50 HB3 LYS 50 3.795 16.153 -4.920 365 HG2 LYS 50 HG2 LYS 50 1.634 15.818 -5.969 366 HG3 LYS 50 HG3 LYS 50 0.777 16.328 -4.528 367 HD2 LYS 50 HD2 LYS 50 0.980 18.542 -5.050 368 HD3 LYS 50 HD3 LYS 50 2.676 18.382 -5.460 369 HE2 LYS 50 HE2 LYS 50 1.957 17.313 -7.670 370 HE3 LYS 50 HE3 LYS 50 0.301 17.710 -7.258 371 HZ1 LYS 50 HZ1 LYS 50 1.492 19.374 -8.628 372 HZ2 LYS 50 HZ2 LYS 50 0.821 19.985 -7.270 373 HZ3 LYS 50 HZ3 LYS 50 2.432 19.724 -7.340 374 H ARG 51 H ARG 51 2.177 12.355 -3.554 375 HA ARG 51 HA ARG 51 4.706 11.344 -3.943 376 HB2 ARG 51 HB2 ARG 51 3.431 9.233 -4.671 377 HB3 ARG 51 HB3 ARG 51 2.983 9.882 -3.106 378 HG2 ARG 51 HG2 ARG 51 1.367 11.191 -5.117 379 HG3 ARG 51 HG3 ARG 51 1.300 9.464 -5.405 380 HD2 ARG 51 HD2 ARG 51 0.668 10.883 -2.773 381 HD3 ARG 51 HD3 ARG 51 -0.489 10.110 -3.838 382 HE ARG 51 HE ARG 51 1.627 8.287 -2.984 383 HH11 ARG 51 HH22 ARG 51 -1.469 9.694 -2.080 384 HH12 ARG 51 HH21 ARG 51 -1.891 8.397 -1.013 385 HH21 ARG 51 HH12 ARG 51 1.070 6.575 -1.577 386 HH22 ARG 51 HH11 ARG 51 -0.437 6.611 -0.725 387 H ASP 52 H ASP 52 5.500 10.090 -5.915 388 HA ASP 52 HA ASP 52 4.301 10.600 -8.398 389 HB2 ASP 52 HB2 ASP 52 5.224 12.829 -8.200 390 HB3 ASP 52 HB3 ASP 52 6.751 12.219 -7.594 391 H VAL 53 H VAL 53 4.648 8.243 -8.402 392 HA VAL 53 HA VAL 53 5.748 6.455 -9.134 393 HB VAL 53 HB VAL 53 7.289 8.554 -10.138 394 HG11 VAL 53 HG11 VAL 53 9.042 6.500 -8.753 395 HG12 VAL 53 HG12 VAL 53 9.608 7.609 -10.025 396 HG13 VAL 53 HG13 VAL 53 9.009 8.258 -8.479 397 HG21 VAL 53 HG21 VAL 53 8.156 6.768 -11.690 398 HG22 VAL 53 HG22 VAL 53 7.328 5.569 -10.668 399 HG23 VAL 53 HG23 VAL 53 6.385 6.817 -11.518 400 H LYS 54 H LYS 54 7.807 8.520 -6.972 401 HA LYS 54 HA LYS 54 9.244 6.623 -5.713 402 HB2 LYS 54 HB2 LYS 54 8.245 9.304 -5.064 403 HB3 LYS 54 HB3 LYS 54 8.538 8.324 -3.642 404 HG2 LYS 54 HG2 LYS 54 10.801 8.395 -3.922 405 HG3 LYS 54 HG3 LYS 54 10.688 8.011 -5.628 406 HD2 LYS 54 HD2 LYS 54 9.894 10.469 -5.959 407 HD3 LYS 54 HD3 LYS 54 10.441 10.749 -4.318 408 HE2 LYS 54 HE2 LYS 54 12.488 11.154 -5.239 409 HE3 LYS 54 HE3 LYS 54 12.620 9.415 -5.413 410 HZ1 LYS 54 HZ1 LYS 54 12.259 11.379 -7.413 411 HZ2 LYS 54 HZ2 LYS 54 12.739 9.825 -7.565 412 HZ3 LYS 54 HZ3 LYS 54 11.147 10.190 -7.546 413 H VAL 55 H VAL 55 5.792 7.474 -5.115 414 HA VAL 55 HA VAL 55 5.579 5.564 -2.994 415 HB VAL 55 HB VAL 55 4.281 7.802 -3.531 416 HG11 VAL 55 HG11 VAL 55 2.267 7.611 -4.694 417 HG12 VAL 55 HG12 VAL 55 3.396 6.665 -5.694 418 HG13 VAL 55 HG13 VAL 55 2.264 5.833 -4.601 419 HG21 VAL 55 HG21 VAL 55 4.083 5.978 -1.614 420 HG22 VAL 55 HG22 VAL 55 2.868 7.265 -1.801 421 HG23 VAL 55 HG23 VAL 55 2.537 5.632 -2.427 422 H SER 56 H SER 56 4.959 5.704 -6.514 423 HA SER 56 HA SER 56 3.373 3.501 -6.754 424 HB2 SER 56 HB2 SER 56 4.299 5.245 -8.514 425 HB3 SER 56 HB3 SER 56 5.572 4.066 -8.758 426 HG SER 56 HG SER 56 2.960 2.999 -8.754 427 H LEU 57 H LEU 57 7.001 3.718 -6.837 428 HA LEU 57 HA LEU 57 7.317 0.907 -7.057 429 HB2 LEU 57 HB2 LEU 57 8.883 3.141 -7.441 430 HB3 LEU 57 HB3 LEU 57 9.570 2.441 -5.988 431 HG LEU 57 HG LEU 57 10.718 1.681 -8.013 432 HD11 LEU 57 HD11 LEU 57 9.695 -0.916 -7.435 433 HD12 LEU 57 HD12 LEU 57 11.193 -0.148 -6.857 434 HD13 LEU 57 HD13 LEU 57 9.684 0.036 -5.931 435 HD21 LEU 57 HD21 LEU 57 8.688 -0.146 -8.999 436 HD22 LEU 57 HD22 LEU 57 8.166 1.551 -9.125 437 HD23 LEU 57 HD23 LEU 57 9.694 1.032 -9.876 438 H PHE 58 H PHE 58 7.907 3.261 -4.348 439 HA PHE 58 HA PHE 58 8.611 1.556 -2.400 440 HB2 PHE 58 HB2 PHE 58 6.861 4.038 -2.587 441 HB3 PHE 58 HB3 PHE 58 6.986 3.254 -1.025 442 HD1 PHE 58 HD2 PHE 58 9.661 3.598 -3.578 443 HD2 PHE 58 HD1 PHE 58 8.202 4.827 0.212 444 HE1 PHE 58 HE2 PHE 58 11.815 4.811 -3.142 445 HE2 PHE 58 HE1 PHE 58 10.356 6.040 0.648 446 HZ PHE 58 HZ PHE 58 12.136 6.017 -1.034 447 H THR 59 H THR 59 5.309 2.067 -3.712 448 HA THR 59 HA THR 59 4.069 0.464 -1.686 449 HB THR 59 HB THR 59 3.127 1.547 -4.394 450 HG1 THR 59 HG1 THR 59 3.479 3.277 -2.980 451 HG21 THR 59 HG21 THR 59 1.788 -0.034 -2.225 452 HG22 THR 59 HG22 THR 59 0.922 1.423 -2.768 453 HG23 THR 59 HG23 THR 59 1.333 0.145 -3.936 454 H ALA 60 H ALA 60 4.654 -0.027 -5.236 455 HA ALA 60 HA ALA 60 3.753 -2.543 -5.496 456 HB1 ALA 60 HB1 ALA 60 6.213 -1.184 -6.641 457 HB2 ALA 60 HB2 ALA 60 5.672 -2.791 -7.183 458 HB3 ALA 60 HB3 ALA 60 4.609 -1.378 -7.389 459 H PHE 61 H PHE 61 6.931 -1.536 -4.099 460 HA PHE 61 HA PHE 61 7.797 -4.195 -3.682 461 HB2 PHE 61 HB2 PHE 61 8.679 -1.446 -3.398 462 HB3 PHE 61 HB3 PHE 61 8.901 -2.206 -1.834 463 HD1 PHE 61 HD1 PHE 61 9.942 -4.730 -2.119 464 HD2 PHE 61 HD2 PHE 61 10.530 -1.456 -4.754 465 HE1 PHE 61 HE1 PHE 61 12.083 -5.763 -2.925 466 HE2 PHE 61 HE2 PHE 61 12.671 -2.489 -5.560 467 HZ PHE 61 HZ PHE 61 13.422 -4.630 -4.636 468 H PHE 62 H PHE 62 6.209 -1.690 -1.615 469 HA PHE 62 HA PHE 62 6.387 -3.077 0.779 470 HB2 PHE 62 HB2 PHE 62 5.694 -0.654 0.331 471 HB3 PHE 62 HB3 PHE 62 4.185 -1.239 -0.340 472 HD1 PHE 62 HD2 PHE 62 6.146 -0.909 2.761 473 HD2 PHE 62 HD1 PHE 62 2.383 -1.912 1.075 474 HE1 PHE 62 HE2 PHE 62 5.107 -0.848 5.045 475 HE2 PHE 62 HE1 PHE 62 1.344 -1.852 3.359 476 HZ PHE 62 HZ PHE 62 2.719 -1.320 5.317 477 H LEU 63 H LEU 63 3.447 -2.752 -1.347 478 HA LEU 63 HA LEU 63 1.951 -4.654 -0.030 479 HB2 LEU 63 HB2 LEU 63 1.807 -3.081 -2.423 480 HB3 LEU 63 HB3 LEU 63 1.272 -4.711 -2.779 481 HG LEU 63 HG LEU 63 -0.133 -4.322 -0.526 482 HD11 LEU 63 HD11 LEU 63 -0.916 -2.091 -0.259 483 HD12 LEU 63 HD12 LEU 63 0.863 -2.028 -0.257 484 HD13 LEU 63 HD13 LEU 63 -0.043 -1.540 -1.709 485 HD21 LEU 63 HD21 LEU 63 -1.671 -3.051 -2.548 486 HD22 LEU 63 HD22 LEU 63 -0.641 -4.270 -3.337 487 HD23 LEU 63 HD23 LEU 63 -1.725 -4.745 -2.007 488 H ALA 64 H ALA 64 4.312 -5.007 -2.731 489 HA ALA 64 HA ALA 64 3.847 -7.643 -3.349 490 HB1 ALA 64 HB1 ALA 64 6.374 -7.571 -3.926 491 HB2 ALA 64 HB2 ALA 64 5.302 -6.403 -4.736 492 HB3 ALA 64 HB3 ALA 64 6.312 -5.883 -3.365 493 H THR 65 H THR 65 6.229 -6.312 -0.942 494 HA THR 65 HA THR 65 7.035 -8.796 0.034 495 HB THR 65 HB THR 65 7.027 -5.930 1.054 496 HG1 THR 65 HG1 THR 65 8.846 -6.212 -0.176 497 HG21 THR 65 HG21 THR 65 7.814 -8.473 2.513 498 HG22 THR 65 HG22 THR 65 8.812 -7.012 2.707 499 HG23 THR 65 HG23 THR 65 7.094 -6.985 3.174 500 H ILE 66 H ILE 66 4.659 -6.488 1.523 501 HA ILE 66 HA ILE 66 3.858 -7.961 3.612 502 HB ILE 66 HB ILE 66 2.311 -6.199 1.733 503 HG12 ILE 66 HG12 ILE 66 4.130 -5.260 3.188 504 HG13 ILE 66 HG13 ILE 66 2.547 -4.545 3.418 505 HG21 ILE 66 HG21 ILE 66 0.649 -7.695 2.598 506 HG22 ILE 66 HG22 ILE 66 1.293 -7.540 4.250 507 HG23 ILE 66 HG23 ILE 66 0.515 -6.145 3.463 508 HD11 ILE 66 HD11 ILE 66 2.177 -6.099 5.380 509 HD12 ILE 66 HD12 ILE 66 3.854 -6.663 5.184 510 HD13 ILE 66 HD13 ILE 66 3.529 -4.965 5.609 511 H MET 67 H MET 67 2.460 -8.247 0.269 512 HA MET 67 HA MET 67 0.777 -10.325 0.850 513 HB2 MET 67 HB2 MET 67 2.195 -9.286 -1.617 514 HB3 MET 67 HB3 MET 67 1.377 -10.829 -1.755 515 HG2 MET 67 HG2 MET 67 -0.172 -8.613 -0.442 516 HG3 MET 67 HG3 MET 67 0.117 -8.449 -2.163 517 HE1 MET 67 HE1 MET 67 -3.167 -9.899 -0.358 518 HE2 MET 67 HE2 MET 67 -2.195 -11.228 0.319 519 HE3 MET 67 HE3 MET 67 -1.660 -9.542 0.519 520 H GLY 68 H GLY 68 4.052 -10.549 -0.734 521 HA2 GLY 68 HA2 GLY 68 5.622 -12.159 -0.651 522 HA3 GLY 68 HA3 GLY 68 4.880 -12.757 0.819 523 H VAL 69 H VAL 69 3.501 -12.446 -2.522 524 HA VAL 69 HA VAL 69 2.120 -14.813 -2.467 525 HB VAL 69 HB VAL 69 3.355 -13.295 -4.770 526 HG11 VAL 69 HG11 VAL 69 2.918 -15.368 -5.743 527 HG12 VAL 69 HG12 VAL 69 1.487 -15.660 -4.725 528 HG13 VAL 69 HG13 VAL 69 1.412 -14.467 -6.044 529 HG21 VAL 69 HG21 VAL 69 0.479 -13.295 -3.816 530 HG22 VAL 69 HG22 VAL 69 1.692 -12.115 -3.266 531 HG23 VAL 69 HG23 VAL 69 1.250 -12.200 -4.988 532 H ARG 70 H ARG 70 5.567 -14.182 -3.121 533 HA ARG 70 HA ARG 70 5.963 -16.836 -4.073 534 HB2 ARG 70 HB2 ARG 70 7.294 -14.663 -4.700 535 HB3 ARG 70 HB3 ARG 70 8.150 -14.906 -3.190 536 HG2 ARG 70 HG2 ARG 70 8.821 -17.196 -3.929 537 HG3 ARG 70 HG3 ARG 70 7.948 -16.973 -5.432 538 HD2 ARG 70 HD2 ARG 70 9.456 -15.263 -6.192 539 HD3 ARG 70 HD3 ARG 70 10.120 -15.015 -4.589 540 HE ARG 70 HE ARG 70 10.826 -17.169 -6.469 541 HH11 ARG 70 HH22 ARG 70 10.959 -16.041 -3.138 542 HH12 ARG 70 HH21 ARG 70 12.303 -17.048 -2.716 543 HH21 ARG 70 HH12 ARG 70 12.599 -18.498 -5.912 544 HH22 ARG 70 HH11 ARG 70 13.242 -18.456 -4.305 545 H PHE 71 H PHE 71 7.206 -14.886 -1.250 546 HA PHE 71 HA PHE 71 6.734 -17.015 0.557 547 HB2 PHE 71 HB2 PHE 71 8.961 -17.446 -0.920 548 HB3 PHE 71 HB3 PHE 71 9.659 -16.251 0.156 549 HD1 PHE 71 HD1 PHE 71 9.031 -16.754 2.757 550 HD2 PHE 71 HD2 PHE 71 9.305 -19.641 -0.341 551 HE1 PHE 71 HE1 PHE 71 9.463 -18.543 4.463 552 HE2 PHE 71 HE2 PHE 71 9.738 -21.430 1.365 553 HZ PHE 71 HZ PHE 71 9.812 -20.860 3.747 554 H LYS 72 H LYS 72 8.946 -14.194 -0.063 555 HA LYS 72 HA LYS 72 7.667 -12.635 1.911 556 HB2 LYS 72 HB2 LYS 72 10.001 -14.268 2.747 557 HB3 LYS 72 HB3 LYS 72 10.045 -12.580 3.214 558 HG2 LYS 72 HG2 LYS 72 7.367 -13.523 3.687 559 HG3 LYS 72 HG3 LYS 72 8.461 -14.722 4.347 560 HD2 LYS 72 HD2 LYS 72 8.660 -13.370 6.164 561 HD3 LYS 72 HD3 LYS 72 9.630 -12.312 5.159 562 HE2 LYS 72 HE2 LYS 72 7.880 -10.808 4.793 563 HE3 LYS 72 HE3 LYS 72 6.642 -12.040 4.932 564 HZ1 LYS 72 HZ1 LYS 72 6.453 -11.603 7.070 565 HZ2 LYS 72 HZ2 LYS 72 8.054 -11.759 7.351 566 HZ3 LYS 72 HZ3 LYS 72 7.444 -10.319 6.880 567 H ARG 73 H ARG 73 11.097 -13.053 0.776 568 HA ARG 73 HA ARG 73 10.843 -10.365 -0.298 569 HB2 ARG 73 HB2 ARG 73 12.718 -11.284 1.459 570 HB3 ARG 73 HB3 ARG 73 13.536 -11.682 -0.039 571 HG2 ARG 73 HG2 ARG 73 13.485 -9.377 -0.792 572 HG3 ARG 73 HG3 ARG 73 12.364 -8.916 0.474 573 HD2 ARG 73 HD2 ARG 73 14.293 -9.799 2.096 574 HD3 ARG 73 HD3 ARG 73 15.318 -9.545 0.698 575 HE ARG 73 HE ARG 73 13.594 -7.252 1.234 576 HH11 ARG 73 HH22 ARG 73 16.622 -8.809 2.119 577 HH12 ARG 73 HH21 ARG 73 17.358 -7.345 2.682 578 HH21 ARG 73 HH12 ARG 73 14.564 -5.320 1.976 579 HH22 ARG 73 HH11 ARG 73 16.179 -5.347 2.600 580 H SER 74 H SER 74 11.326 -9.972 -2.504 581 HA SER 74 HA SER 74 12.818 -11.441 -4.159 582 HB2 SER 74 HB2 SER 74 10.450 -12.947 -3.495 583 HB3 SER 74 HB3 SER 74 10.334 -12.481 -5.180 584 HG SER 74 HG SER 74 12.575 -13.841 -3.941 585 H LYS 75 H LYS 75 9.297 -10.497 -4.317 586 HA LYS 75 HA LYS 75 8.228 -9.166 -5.744 587 HB2 LYS 75 HB2 LYS 75 9.125 -7.596 -4.066 588 HB3 LYS 75 HB3 LYS 75 10.548 -7.338 -5.054 589 HG2 LYS 75 HG2 LYS 75 8.588 -6.850 -6.913 590 HG3 LYS 75 HG3 LYS 75 7.753 -6.351 -5.455 591 HD2 LYS 75 HD2 LYS 75 9.038 -4.478 -5.226 592 HD3 LYS 75 HD3 LYS 75 10.526 -5.358 -5.514 593 HE2 LYS 75 HE2 LYS 75 8.624 -4.704 -7.799 594 HE3 LYS 75 HE3 LYS 75 9.814 -3.539 -7.252 595 HZ1 LYS 75 HZ1 LYS 75 10.653 -6.263 -7.854 596 HZ2 LYS 75 HZ2 LYS 75 10.423 -5.203 -9.075 597 HZ3 LYS 75 HZ3 LYS 75 11.524 -4.883 -7.912 598 H LYS 76 H LYS 76 9.145 -10.995 -7.328 599 HA LYS 76 HA LYS 76 10.788 -9.676 -9.362 600 HB2 LYS 76 HB2 LYS 76 10.624 -12.386 -8.312 601 HB3 LYS 76 HB3 LYS 76 10.438 -12.369 -10.054 602 HG2 LYS 76 HG2 LYS 76 12.505 -10.588 -9.792 603 HG3 LYS 76 HG3 LYS 76 12.801 -11.592 -8.387 604 HD2 LYS 76 HD2 LYS 76 12.455 -13.605 -10.080 605 HD3 LYS 76 HD3 LYS 76 12.768 -12.397 -11.310 606 HE2 LYS 76 HE2 LYS 76 14.837 -11.831 -9.629 607 HE3 LYS 76 HE3 LYS 76 14.626 -13.525 -9.237 608 HZ1 LYS 76 HZ1 LYS 76 14.925 -12.500 -11.974 609 HZ2 LYS 76 HZ2 LYS 76 16.140 -13.139 -11.089 610 HZ3 LYS 76 HZ3 LYS 76 14.872 -14.070 -11.529 611 H ILE 77 H ILE 77 8.486 -12.363 -9.878 612 HA ILE 77 HA ILE 77 6.950 -10.533 -11.588 613 HB ILE 77 HB ILE 77 8.342 -12.242 -12.758 614 HG12 ILE 77 HG12 ILE 77 5.473 -12.878 -13.328 615 HG13 ILE 77 HG13 ILE 77 5.995 -11.210 -13.457 616 HG21 ILE 77 HG21 ILE 77 6.387 -14.364 -12.005 617 HG22 ILE 77 HG22 ILE 77 8.088 -14.491 -12.513 618 HG23 ILE 77 HG23 ILE 77 7.691 -13.980 -10.855 619 HD11 ILE 77 HD11 ILE 77 6.213 -12.420 -15.625 620 HD12 ILE 77 HD12 ILE 77 7.792 -11.852 -15.030 621 HD13 ILE 77 HD13 ILE 77 7.340 -13.566 -14.860 622 H MET 78 H MET 78 6.987 -12.370 -8.728 623 HA MET 78 HA MET 78 4.533 -13.565 -8.705 624 HB2 MET 78 HB2 MET 78 6.594 -12.730 -6.814 625 HB3 MET 78 HB3 MET 78 5.024 -12.395 -6.112 626 HG2 MET 78 HG2 MET 78 5.284 -14.615 -5.446 627 HG3 MET 78 HG3 MET 78 4.451 -14.863 -6.968 628 HE1 MET 78 HE1 MET 78 6.247 -17.726 -6.968 629 HE2 MET 78 HE2 MET 78 4.870 -16.777 -7.578 630 HE3 MET 78 HE3 MET 78 6.232 -17.165 -8.656 631 HA PRO 79 HA PRO 79 2.744 -9.437 -7.197 632 HB2 PRO 79 HB2 PRO 79 4.259 -7.165 -7.310 633 HB3 PRO 79 HB3 PRO 79 4.096 -8.137 -5.861 634 HG2 PRO 79 HG2 PRO 79 6.389 -7.946 -7.717 635 HG3 PRO 79 HG3 PRO 79 6.354 -8.559 -6.076 636 HD2 PRO 79 HD2 PRO 79 6.446 -10.112 -8.485 637 HD3 PRO 79 HD3 PRO 79 6.293 -10.723 -6.849 638 H ALA 80 H ALA 80 2.379 -10.526 -9.547 639 HA ALA 80 HA ALA 80 2.922 -8.946 -11.748 640 HB1 ALA 80 HB1 ALA 80 1.949 -11.352 -11.510 641 HB2 ALA 80 HB2 ALA 80 0.368 -10.537 -11.432 642 HB3 ALA 80 HB3 ALA 80 1.399 -10.344 -12.870 643 H GLY 81 H GLY 81 0.002 -8.985 -9.590 644 HA2 GLY 81 HA2 GLY 81 -1.277 -6.827 -10.919 645 HA3 GLY 81 HA3 GLY 81 -1.670 -7.493 -9.346 646 H LEU 82 H LEU 82 1.000 -7.113 -8.145 647 HA LEU 82 HA LEU 82 0.651 -4.556 -7.122 648 HB2 LEU 82 HB2 LEU 82 2.367 -6.803 -6.744 649 HB3 LEU 82 HB3 LEU 82 3.366 -5.367 -6.841 650 HG LEU 82 HG LEU 82 2.893 -5.695 -4.554 651 HD11 LEU 82 HD11 LEU 82 2.560 -3.528 -4.231 652 HD12 LEU 82 HD12 LEU 82 1.989 -3.380 -5.911 653 HD13 LEU 82 HD13 LEU 82 0.828 -3.708 -4.602 654 HD21 LEU 82 HD21 LEU 82 0.719 -7.097 -5.293 655 HD22 LEU 82 HD22 LEU 82 0.993 -6.504 -3.637 656 HD23 LEU 82 HD23 LEU 82 -0.065 -5.596 -4.744 657 H VAL 83 H VAL 83 3.494 -5.635 -9.111 658 HA VAL 83 HA VAL 83 4.352 -3.099 -9.730 659 HB VAL 83 HB VAL 83 4.574 -5.688 -11.276 660 HG11 VAL 83 HG11 VAL 83 6.252 -3.169 -11.542 661 HG12 VAL 83 HG12 VAL 83 6.495 -4.703 -12.412 662 HG13 VAL 83 HG13 VAL 83 5.035 -3.730 -12.714 663 HG21 VAL 83 HG21 VAL 83 7.021 -5.044 -10.076 664 HG22 VAL 83 HG22 VAL 83 5.796 -4.692 -8.833 665 HG23 VAL 83 HG23 VAL 83 5.877 -6.310 -9.570 666 H ALA 84 H ALA 84 2.242 -5.297 -11.713 667 HA ALA 84 HA ALA 84 1.806 -3.654 -13.833 668 HB1 ALA 84 HB1 ALA 84 1.011 -5.966 -13.672 669 HB2 ALA 84 HB2 ALA 84 -0.154 -5.500 -12.408 670 HB3 ALA 84 HB3 ALA 84 -0.345 -4.883 -14.067 671 H GLY 85 H GLY 85 0.555 -3.395 -10.512 672 HA2 GLY 85 HA2 GLY 85 -1.486 -1.489 -11.123 673 HA3 GLY 85 HA3 GLY 85 -0.859 -1.919 -9.545 674 H LEU 86 H LEU 86 1.917 -1.344 -9.882 675 HA LEU 86 HA LEU 86 1.966 1.358 -9.311 676 HB2 LEU 86 HB2 LEU 86 4.121 1.008 -8.854 677 HB3 LEU 86 HB3 LEU 86 3.666 -0.677 -9.013 678 HG LEU 86 HG LEU 86 4.412 -0.538 -11.439 679 HD11 LEU 86 HD11 LEU 86 6.270 1.634 -11.023 680 HD12 LEU 86 HD12 LEU 86 5.106 1.366 -12.343 681 HD13 LEU 86 HD13 LEU 86 4.591 2.202 -10.859 682 HD21 LEU 86 HD21 LEU 86 5.730 -1.329 -9.272 683 HD22 LEU 86 HD22 LEU 86 6.491 -1.285 -10.881 684 HD23 LEU 86 HD23 LEU 86 6.783 0.034 -9.722 685 H SER 87 H SER 87 2.567 -0.396 -12.407 686 HA SER 87 HA SER 87 3.322 1.899 -13.798 687 HB2 SER 87 HB2 SER 87 2.361 -0.860 -14.580 688 HB3 SER 87 HB3 SER 87 2.538 0.367 -15.818 689 HG SER 87 HG SER 87 4.572 -0.360 -15.827 690 H LEU 88 H LEU 88 0.202 0.021 -13.721 691 HA LEU 88 HA LEU 88 -1.246 1.680 -15.370 692 HB2 LEU 88 HB2 LEU 88 -1.790 -0.615 -14.373 693 HB3 LEU 88 HB3 LEU 88 -2.389 0.257 -12.977 694 HG LEU 88 HG LEU 88 -3.448 1.133 -15.611 695 HD11 LEU 88 HD11 LEU 88 -5.157 -0.958 -14.948 696 HD12 LEU 88 HD12 LEU 88 -4.028 -0.893 -16.322 697 HD13 LEU 88 HD13 LEU 88 -3.527 -1.657 -14.794 698 HD21 LEU 88 HD21 LEU 88 -5.330 0.483 -13.479 699 HD22 LEU 88 HD22 LEU 88 -4.054 1.605 -12.952 700 HD23 LEU 88 HD23 LEU 88 -5.069 2.008 -14.358 701 H MET 89 H MET 89 -0.070 2.199 -12.103 702 HA MET 89 HA MET 89 -1.977 4.184 -11.466 703 HB2 MET 89 HB2 MET 89 -0.427 2.718 -9.916 704 HB3 MET 89 HB3 MET 89 0.822 3.895 -10.272 705 HG2 MET 89 HG2 MET 89 -1.615 5.306 -9.552 706 HG3 MET 89 HG3 MET 89 -1.280 4.097 -8.329 707 HE1 MET 89 HE1 MET 89 1.499 6.711 -10.366 708 HE2 MET 89 HE2 MET 89 -0.273 6.867 -10.412 709 HE3 MET 89 HE3 MET 89 0.686 7.920 -9.344 710 H MET 90 H MET 90 1.595 4.356 -12.170 711 HA MET 90 HA MET 90 1.673 7.101 -12.322 712 HB2 MET 90 HB2 MET 90 3.885 6.754 -13.227 713 HB3 MET 90 HB3 MET 90 3.595 5.353 -12.215 714 HG2 MET 90 HG2 MET 90 4.026 4.044 -14.022 715 HG3 MET 90 HG3 MET 90 2.530 4.619 -14.731 716 HE1 MET 90 HE1 MET 90 5.858 4.077 -14.803 717 HE2 MET 90 HE2 MET 90 6.154 4.460 -16.516 718 HE3 MET 90 HE3 MET 90 6.760 5.547 -15.243 719 H ILE 91 H ILE 91 0.305 4.784 -14.521 720 HA ILE 91 HA ILE 91 0.576 6.523 -16.818 721 HB ILE 91 HB ILE 91 0.431 3.803 -16.476 722 HG12 ILE 91 HG12 ILE 91 -0.071 4.011 -19.106 723 HG13 ILE 91 HG13 ILE 91 0.307 5.691 -18.780 724 HG21 ILE 91 HG21 ILE 91 -1.609 3.028 -17.527 725 HG22 ILE 91 HG22 ILE 91 -1.996 3.949 -16.053 726 HG23 ILE 91 HG23 ILE 91 -2.214 4.697 -17.653 727 HD11 ILE 91 HD11 ILE 91 2.068 3.274 -18.181 728 HD12 ILE 91 HD12 ILE 91 2.376 4.565 -19.368 729 HD13 ILE 91 HD13 ILE 91 2.437 4.925 -17.626 730 H LEU 92 H LEU 92 -1.973 5.288 -14.575 731 HA LEU 92 HA LEU 92 -4.038 6.742 -15.859 732 HB2 LEU 92 HB2 LEU 92 -5.433 5.874 -14.244 733 HB3 LEU 92 HB3 LEU 92 -4.200 4.643 -14.429 734 HG LEU 92 HG LEU 92 -3.057 5.705 -12.387 735 HD11 LEU 92 HD11 LEU 92 -3.917 7.612 -11.635 736 HD12 LEU 92 HD12 LEU 92 -5.375 7.435 -12.640 737 HD13 LEU 92 HD13 LEU 92 -5.299 6.664 -11.037 738 HD21 LEU 92 HD21 LEU 92 -5.745 4.360 -12.000 739 HD22 LEU 92 HD22 LEU 92 -4.216 3.531 -12.378 740 HD23 LEU 92 HD23 LEU 92 -4.398 4.404 -10.838 741 H ARG 93 H ARG 93 -1.399 7.636 -13.842 742 HA ARG 93 HA ARG 93 -2.843 9.927 -12.836 743 HB2 ARG 93 HB2 ARG 93 -0.507 8.367 -11.983 744 HB3 ARG 93 HB3 ARG 93 -0.123 10.076 -12.020 745 HG2 ARG 93 HG2 ARG 93 -2.758 9.744 -10.853 746 HG3 ARG 93 HG3 ARG 93 -1.648 8.653 -10.048 747 HD2 ARG 93 HD2 ARG 93 -0.048 10.619 -9.745 748 HD3 ARG 93 HD3 ARG 93 -1.294 11.669 -10.391 749 HE ARG 93 HE ARG 93 -2.425 10.098 -8.276 750 HH11 ARG 93 HH22 ARG 93 -0.155 12.740 -8.774 751 HH12 ARG 93 HH21 ARG 93 -0.428 13.438 -7.213 752 HH21 ARG 93 HH12 ARG 93 -2.786 11.018 -6.216 753 HH22 ARG 93 HH11 ARG 93 -1.934 12.452 -5.748 754 H LEU 94 H LEU 94 -0.063 8.972 -14.923 755 HA LEU 94 HA LEU 94 0.627 11.687 -15.510 756 HB2 LEU 94 HB2 LEU 94 2.198 9.720 -15.408 757 HB3 LEU 94 HB3 LEU 94 1.499 9.163 -16.915 758 HG LEU 94 HG LEU 94 2.555 11.958 -16.818 759 HD11 LEU 94 HD11 LEU 94 4.587 9.962 -17.549 760 HD12 LEU 94 HD12 LEU 94 4.731 11.469 -16.613 761 HD13 LEU 94 HD13 LEU 94 4.160 9.981 -15.821 762 HD21 LEU 94 HD21 LEU 94 2.123 11.794 -18.986 763 HD22 LEU 94 HD22 LEU 94 3.371 10.532 -19.119 764 HD23 LEU 94 HD23 LEU 94 1.678 10.080 -18.803 765 H VAL 95 H VAL 95 -2.037 9.865 -16.271 766 HA VAL 95 HA VAL 95 -2.232 10.249 -19.053 767 HB VAL 95 HB VAL 95 -4.009 9.484 -16.798 768 HG11 VAL 95 HG11 VAL 95 -5.531 10.994 -17.777 769 HG12 VAL 95 HG12 VAL 95 -5.014 10.582 -19.430 770 HG13 VAL 95 HG13 VAL 95 -5.953 9.411 -18.473 771 HG21 VAL 95 HG21 VAL 95 -4.295 8.042 -19.307 772 HG22 VAL 95 HG22 VAL 95 -2.588 8.169 -18.821 773 HG23 VAL 95 HG23 VAL 95 -3.780 7.455 -17.708 774 H LEU 96 H LEU 96 -3.381 12.136 -16.187 775 HA LEU 96 HA LEU 96 -4.240 14.244 -18.005 776 HB2 LEU 96 HB2 LEU 96 -5.056 15.233 -15.778 777 HB3 LEU 96 HB3 LEU 96 -5.910 13.877 -16.486 778 HG LEU 96 HG LEU 96 -3.777 13.362 -14.435 779 HD11 LEU 96 HD11 LEU 96 -6.581 14.345 -13.868 780 HD12 LEU 96 HD12 LEU 96 -5.583 13.471 -12.681 781 HD13 LEU 96 HD13 LEU 96 -5.037 15.040 -13.320 782 HD21 LEU 96 HD21 LEU 96 -5.734 11.819 -15.857 783 HD22 LEU 96 HD22 LEU 96 -4.463 11.276 -14.735 784 HD23 LEU 96 HD23 LEU 96 -6.066 11.732 -14.110 785 H LEU 97 H LEU 97 -1.367 13.478 -17.600 786 HA LEU 97 HA LEU 97 0.585 14.362 -16.925 787 HB2 LEU 97 HB2 LEU 97 1.112 15.975 -18.376 788 HB3 LEU 97 HB3 LEU 97 -0.485 15.630 -19.009 789 HG LEU 97 HG LEU 97 -1.063 17.545 -17.137 790 HD11 LEU 97 HD11 LEU 97 1.665 17.675 -17.196 791 HD12 LEU 97 HD12 LEU 97 1.219 18.897 -18.410 792 HD13 LEU 97 HD13 LEU 97 0.583 19.016 -16.752 793 HD21 LEU 97 HD21 LEU 97 -0.348 17.977 -20.051 794 HD22 LEU 97 HD22 LEU 97 -1.924 17.446 -19.416 795 HD23 LEU 97 HD23 LEU 97 -1.315 19.075 -19.036 796 H LEU 98 H LEU 98 -1.398 14.309 -14.782 797 HA LEU 98 HA LEU 98 -1.164 16.843 -13.443 798 HB2 LEU 98 HB2 LEU 98 -2.816 16.111 -12.138 799 HB3 LEU 98 HB3 LEU 98 -3.045 14.944 -13.425 800 HG LEU 98 HG LEU 98 -1.410 13.454 -12.022 801 HD11 LEU 98 HD11 LEU 98 -1.925 15.717 -10.217 802 HD12 LEU 98 HD12 LEU 98 -2.210 14.116 -9.493 803 HD13 LEU 98 HD13 LEU 98 -0.625 14.502 -10.205 804 HD21 LEU 98 HD21 LEU 98 -3.341 12.545 -10.756 805 HD22 LEU 98 HD22 LEU 98 -4.290 13.971 -11.239 806 HD23 LEU 98 HD23 LEU 98 -3.695 12.838 -12.475 807 H LEU 99 H LEU 99 0.243 13.532 -13.220 808 HA LEU 99 HA LEU 99 1.601 13.669 -10.903 809 HB2 LEU 99 HB2 LEU 99 1.718 12.175 -13.314 810 HB3 LEU 99 HB3 LEU 99 3.363 12.607 -12.891 811 HG LEU 99 HG LEU 99 1.387 11.139 -11.123 812 HD11 LEU 99 HD11 LEU 99 2.234 9.209 -11.854 813 HD12 LEU 99 HD12 LEU 99 2.887 10.150 -13.216 814 HD13 LEU 99 HD13 LEU 99 3.907 9.814 -11.796 815 HD21 LEU 99 HD21 LEU 99 2.722 11.392 -9.345 816 HD22 LEU 99 HD22 LEU 99 4.207 11.192 -10.305 817 HD23 LEU 99 HD23 LEU 99 3.400 12.776 -10.236 Start of MODEL 19 1 H MET 1 H1 MET 1 -49.696 -1.381 0.097 2 HA MET 1 HA MET 1 -49.278 -4.082 0.148 3 HB2 MET 1 HB2 MET 1 -48.630 -2.730 -2.514 4 HB3 MET 1 HB3 MET 1 -47.734 -4.144 -1.997 5 HG2 MET 1 HG2 MET 1 -49.593 -5.570 -2.177 6 HG3 MET 1 HG3 MET 1 -50.747 -4.282 -1.895 7 HE1 MET 1 HE1 MET 1 -51.351 -6.231 -3.674 8 HE2 MET 1 HE2 MET 1 -51.599 -5.659 -5.341 9 HE3 MET 1 HE3 MET 1 -50.132 -6.576 -4.924 10 H ASP 2 H ASP 2 -48.041 -3.578 1.979 11 HA ASP 2 HA ASP 2 -46.318 -2.975 3.148 12 HB2 ASP 2 HB2 ASP 2 -45.106 -3.253 0.402 13 HB3 ASP 2 HB3 ASP 2 -44.116 -2.517 1.646 14 H LEU 3 H LEU 3 -46.825 -0.904 3.978 15 HA LEU 3 HA LEU 3 -47.088 1.394 2.453 16 HB2 LEU 3 HB2 LEU 3 -46.999 0.645 5.269 17 HB3 LEU 3 HB3 LEU 3 -46.319 2.235 4.982 18 HG LEU 3 HG LEU 3 -48.965 1.588 3.740 19 HD11 LEU 3 HD11 LEU 3 -49.084 0.753 6.090 20 HD12 LEU 3 HD12 LEU 3 -48.703 2.401 6.645 21 HD13 LEU 3 HD13 LEU 3 -50.199 2.094 5.730 22 HD21 LEU 3 HD21 LEU 3 -47.822 3.717 3.261 23 HD22 LEU 3 HD22 LEU 3 -49.378 3.953 4.094 24 HD23 LEU 3 HD23 LEU 3 -47.852 4.112 4.996 25 H ILE 4 H ILE 4 -44.379 0.795 4.797 26 HA ILE 4 HA ILE 4 -42.714 2.730 3.884 27 HB ILE 4 HB ILE 4 -42.091 1.720 5.845 28 HG12 ILE 4 HG12 ILE 4 -40.091 0.132 4.367 29 HG13 ILE 4 HG13 ILE 4 -40.255 1.785 3.809 30 HG21 ILE 4 HG21 ILE 4 -41.531 -0.975 5.466 31 HG22 ILE 4 HG22 ILE 4 -42.950 -0.284 6.289 32 HG23 ILE 4 HG23 ILE 4 -43.043 -0.713 4.564 33 HD11 ILE 4 HD11 ILE 4 -40.220 2.336 6.427 34 HD12 ILE 4 HD12 ILE 4 -39.388 0.765 6.508 35 HD13 ILE 4 HD13 ILE 4 -38.708 2.083 5.524 36 H GLY 5 H GLY 5 -41.519 -0.550 3.187 37 HA2 GLY 5 HA2 GLY 5 -41.089 -1.562 1.177 38 HA3 GLY 5 HA3 GLY 5 -41.721 -0.172 0.317 39 H PHE 6 H PHE 6 -40.245 1.974 1.292 40 HA PHE 6 HA PHE 6 -37.898 1.771 -0.157 41 HB2 PHE 6 HB2 PHE 6 -39.340 3.786 0.803 42 HB3 PHE 6 HB3 PHE 6 -38.385 3.593 2.259 43 HD1 PHE 6 HD1 PHE 6 -38.066 4.213 -1.392 44 HD2 PHE 6 HD2 PHE 6 -36.297 4.624 2.443 45 HE1 PHE 6 HE1 PHE 6 -36.272 5.666 -2.376 46 HE2 PHE 6 HE2 PHE 6 -34.502 6.078 1.459 47 HZ PHE 6 HZ PHE 6 -34.511 6.581 -0.938 48 H GLY 7 H GLY 7 -38.338 1.846 3.456 49 HA2 GLY 7 HA2 GLY 7 -35.753 1.589 4.264 50 HA3 GLY 7 HA3 GLY 7 -37.125 0.879 5.092 51 H TYR 8 H TYR 8 -38.029 -1.140 3.469 52 HA TYR 8 HA TYR 8 -36.289 -3.208 3.962 53 HB2 TYR 8 HB2 TYR 8 -38.863 -2.891 3.149 54 HB3 TYR 8 HB3 TYR 8 -38.169 -3.127 1.557 55 HD1 TYR 8 HD1 TYR 8 -36.473 -5.259 1.467 56 HD2 TYR 8 HD2 TYR 8 -39.733 -4.764 4.194 57 HE1 TYR 8 HE1 TYR 8 -36.587 -7.777 1.800 58 HE2 TYR 8 HE2 TYR 8 -39.836 -7.284 4.517 59 HH TYR 8 HH TYR 8 -38.855 -9.187 4.129 60 H ALA 9 H ALA 9 -36.754 -1.292 0.927 61 HA ALA 9 HA ALA 9 -34.872 -2.844 -0.529 62 HB1 ALA 9 HB1 ALA 9 -35.765 -0.015 -1.155 63 HB2 ALA 9 HB2 ALA 9 -35.312 -1.314 -2.284 64 HB3 ALA 9 HB3 ALA 9 -36.844 -1.412 -1.382 65 H ALA 10 H ALA 10 -34.743 -0.073 1.673 66 HA ALA 10 HA ALA 10 -32.219 0.880 0.832 67 HB1 ALA 10 HB1 ALA 10 -32.562 1.567 3.522 68 HB2 ALA 10 HB2 ALA 10 -33.077 2.525 2.113 69 HB3 ALA 10 HB3 ALA 10 -34.222 1.411 2.900 70 H LEU 11 H LEU 11 -33.250 -1.115 3.697 71 HA LEU 11 HA LEU 11 -30.677 -1.648 4.580 72 HB2 LEU 11 HB2 LEU 11 -31.650 -3.157 6.039 73 HB3 LEU 11 HB3 LEU 11 -32.894 -1.955 5.760 74 HG LEU 11 HG LEU 11 -33.668 -3.697 3.897 75 HD11 LEU 11 HD11 LEU 11 -32.320 -5.500 3.922 76 HD12 LEU 11 HD12 LEU 11 -31.776 -5.211 5.593 77 HD13 LEU 11 HD13 LEU 11 -33.345 -5.996 5.291 78 HD21 LEU 11 HD21 LEU 11 -34.330 -4.331 6.766 79 HD22 LEU 11 HD22 LEU 11 -34.840 -2.803 6.011 80 HD23 LEU 11 HD23 LEU 11 -35.383 -4.356 5.332 81 H VAL 12 H VAL 12 -32.763 -3.324 2.173 82 HA VAL 12 HA VAL 12 -31.205 -5.576 1.819 83 HB VAL 12 HB VAL 12 -33.056 -3.998 0.050 84 HG11 VAL 12 HG11 VAL 12 -31.419 -5.011 -1.455 85 HG12 VAL 12 HG12 VAL 12 -31.653 -6.594 -0.674 86 HG13 VAL 12 HG13 VAL 12 -32.986 -5.845 -1.586 87 HG21 VAL 12 HG21 VAL 12 -33.449 -6.837 0.959 88 HG22 VAL 12 HG22 VAL 12 -33.727 -5.498 2.098 89 HG23 VAL 12 HG23 VAL 12 -34.657 -5.584 0.583 90 H THR 13 H THR 13 -31.051 -2.367 0.133 91 HA THR 13 HA THR 13 -28.862 -3.064 -1.490 92 HB THR 13 HB THR 13 -30.036 -0.417 -0.500 93 HG1 THR 13 HG1 THR 13 -30.020 -1.969 -2.994 94 HG21 THR 13 HG21 THR 13 -27.503 -0.643 -1.606 95 HG22 THR 13 HG22 THR 13 -28.518 -0.532 -3.064 96 HG23 THR 13 HG23 THR 13 -28.571 0.761 -1.842 97 H PHE 14 H PHE 14 -29.116 -1.962 1.875 98 HA PHE 14 HA PHE 14 -26.442 -1.142 2.121 99 HB2 PHE 14 HB2 PHE 14 -28.587 -0.811 3.622 100 HB3 PHE 14 HB3 PHE 14 -28.256 -2.416 4.243 101 HD1 PHE 14 HD1 PHE 14 -25.923 -2.804 5.287 102 HD2 PHE 14 HD2 PHE 14 -27.563 1.047 4.587 103 HE1 PHE 14 HE1 PHE 14 -24.345 -1.825 6.976 104 HE2 PHE 14 HE2 PHE 14 -25.985 2.026 6.276 105 HZ PHE 14 HZ PHE 14 -24.394 0.578 7.450 106 H GLY 15 H GLY 15 -28.131 -4.249 2.952 107 HA2 GLY 15 HA2 GLY 15 -25.777 -5.551 3.853 108 HA3 GLY 15 HA3 GLY 15 -27.312 -6.290 3.443 109 H SER 16 H SER 16 -27.216 -4.943 0.669 110 HA SER 16 HA SER 16 -25.956 -7.115 -0.599 111 HB2 SER 16 HB2 SER 16 -27.839 -5.097 -1.278 112 HB3 SER 16 HB3 SER 16 -26.499 -4.872 -2.385 113 HG SER 16 HG SER 16 -27.838 -6.381 -3.362 114 H ILE 17 H ILE 17 -25.298 -3.538 -0.478 115 HA ILE 17 HA ILE 17 -22.896 -3.732 -1.938 116 HB ILE 17 HB ILE 17 -23.993 -1.606 -0.098 117 HG12 ILE 17 HG12 ILE 17 -25.428 -1.981 -1.997 118 HG13 ILE 17 HG13 ILE 17 -24.575 -0.465 -2.210 119 HG21 ILE 17 HG21 ILE 17 -22.219 -0.435 -1.918 120 HG22 ILE 17 HG22 ILE 17 -21.994 -0.641 -0.164 121 HG23 ILE 17 HG23 ILE 17 -21.368 -1.868 -1.291 122 HD11 ILE 17 HD11 ILE 17 -22.812 -1.910 -3.531 123 HD12 ILE 17 HD12 ILE 17 -24.131 -3.101 -3.631 124 HD13 ILE 17 HD13 ILE 17 -24.345 -1.475 -4.324 125 H PHE 18 H PHE 18 -23.481 -3.127 1.603 126 HA PHE 18 HA PHE 18 -20.862 -3.323 2.386 127 HB2 PHE 18 HB2 PHE 18 -23.212 -2.795 3.580 128 HB3 PHE 18 HB3 PHE 18 -23.200 -4.506 3.959 129 HD1 PHE 18 HD2 PHE 18 -21.371 -1.335 4.457 130 HD2 PHE 18 HD1 PHE 18 -21.847 -5.361 5.709 131 HE1 PHE 18 HE2 PHE 18 -19.940 -0.879 6.468 132 HE2 PHE 18 HE1 PHE 18 -20.416 -4.905 7.720 133 HZ PHE 18 HZ PHE 18 -19.480 -2.670 8.076 134 H GLY 19 H GLY 19 -23.335 -5.941 2.027 135 HA2 GLY 19 HA2 GLY 19 -23.126 -8.191 2.270 136 HA3 GLY 19 HA3 GLY 19 -21.830 -7.945 1.117 137 H TYR 20 H TYR 20 -22.186 -7.139 4.648 138 HA TYR 20 HA TYR 20 -20.846 -7.516 6.376 139 HB2 TYR 20 HB2 TYR 20 -21.080 -9.996 4.739 140 HB3 TYR 20 HB3 TYR 20 -19.615 -9.999 5.700 141 HD1 TYR 20 HD1 TYR 20 -19.771 -9.818 8.208 142 HD2 TYR 20 HD2 TYR 20 -23.225 -10.350 5.741 143 HE1 TYR 20 HE1 TYR 20 -21.108 -10.578 10.232 144 HE2 TYR 20 HE2 TYR 20 -24.551 -11.109 7.773 145 HH TYR 20 HH TYR 20 -23.029 -11.203 10.985 146 H LYS 21 H LYS 21 -19.239 -5.948 6.262 147 HA LYS 21 HA LYS 21 -17.242 -5.745 4.437 148 HB2 LYS 21 HB2 LYS 21 -17.930 -4.200 6.385 149 HB3 LYS 21 HB3 LYS 21 -16.815 -5.133 7.363 150 HG2 LYS 21 HG2 LYS 21 -14.930 -4.526 5.994 151 HG3 LYS 21 HG3 LYS 21 -15.954 -3.945 4.697 152 HD2 LYS 21 HD2 LYS 21 -16.808 -2.372 6.816 153 HD3 LYS 21 HD3 LYS 21 -15.110 -2.574 7.198 154 HE2 LYS 21 HE2 LYS 21 -14.416 -1.311 5.404 155 HE3 LYS 21 HE3 LYS 21 -15.629 -1.978 4.331 156 HZ1 LYS 21 HZ1 LYS 21 -16.412 -0.157 6.473 157 HZ2 LYS 21 HZ2 LYS 21 -15.837 0.429 5.062 158 HZ3 LYS 21 HZ3 LYS 21 -17.190 -0.485 5.076 159 H ARG 22 H ARG 22 -15.447 -6.874 3.875 160 HA ARG 22 HA ARG 22 -14.098 -8.417 5.824 161 HB2 ARG 22 HB2 ARG 22 -16.174 -9.734 4.434 162 HB3 ARG 22 HB3 ARG 22 -14.727 -10.218 3.573 163 HG2 ARG 22 HG2 ARG 22 -13.708 -11.107 5.581 164 HG3 ARG 22 HG3 ARG 22 -14.903 -10.346 6.612 165 HD2 ARG 22 HD2 ARG 22 -16.687 -11.797 5.630 166 HD3 ARG 22 HD3 ARG 22 -15.505 -12.547 4.576 167 HE ARG 22 HE ARG 22 -14.783 -12.670 7.418 168 HH11 ARG 22 HH22 ARG 22 -16.514 -14.261 4.800 169 HH12 ARG 22 HH21 ARG 22 -16.466 -15.823 5.547 170 HH21 ARG 22 HH12 ARG 22 -14.720 -14.731 8.404 171 HH22 ARG 22 HH11 ARG 22 -15.439 -16.092 7.610 172 H ARG 23 H ARG 23 -11.927 -8.329 5.281 173 HA ARG 23 HA ARG 23 -11.131 -6.982 3.024 174 HB2 ARG 23 HB2 ARG 23 -9.921 -7.784 5.353 175 HB3 ARG 23 HB3 ARG 23 -9.189 -8.922 4.239 176 HG2 ARG 23 HG2 ARG 23 -8.823 -6.732 2.741 177 HG3 ARG 23 HG3 ARG 23 -8.986 -5.906 4.278 178 HD2 ARG 23 HD2 ARG 23 -7.078 -8.257 3.934 179 HD3 ARG 23 HD3 ARG 23 -6.591 -6.619 3.547 180 HE ARG 23 HE ARG 23 -7.797 -6.778 6.190 181 HH11 ARG 23 HH22 ARG 23 -4.813 -7.329 4.408 182 HH12 ARG 23 HH21 ARG 23 -3.797 -7.128 5.797 183 HH21 ARG 23 HH12 ARG 23 -6.457 -6.513 8.022 184 HH22 ARG 23 HH11 ARG 23 -4.739 -6.661 7.866 185 H GLY 24 H GLY 24 -8.807 -8.862 2.348 186 HA2 GLY 24 HA2 GLY 24 -9.158 -11.283 1.460 187 HA3 GLY 24 HA3 GLY 24 -10.270 -10.470 0.376 188 H GLY 25 H GLY 25 -8.777 -11.285 -1.352 189 HA2 GLY 25 HA2 GLY 25 -7.502 -10.033 -2.985 190 HA3 GLY 25 HA3 GLY 25 -6.491 -9.437 -1.684 191 H VAL 26 H VAL 26 -7.629 -12.567 -3.141 192 HA VAL 26 HA VAL 26 -5.387 -13.988 -2.105 193 HB VAL 26 HB VAL 26 -7.844 -14.513 -3.594 194 HG11 VAL 26 HG11 VAL 26 -6.596 -15.279 -5.415 195 HG12 VAL 26 HG12 VAL 26 -5.292 -15.913 -4.383 196 HG13 VAL 26 HG13 VAL 26 -6.859 -16.754 -4.454 197 HG21 VAL 26 HG21 VAL 26 -7.207 -16.829 -2.346 198 HG22 VAL 26 HG22 VAL 26 -6.224 -15.685 -1.400 199 HG23 VAL 26 HG23 VAL 26 -7.984 -15.449 -1.533 200 HA PRO 27 HA PRO 27 -3.945 -13.479 -6.580 201 HB2 PRO 27 HB2 PRO 27 -5.262 -11.779 -8.266 202 HB3 PRO 27 HB3 PRO 27 -5.565 -13.504 -8.217 203 HG2 PRO 27 HG2 PRO 27 -7.218 -11.301 -7.143 204 HG3 PRO 27 HG3 PRO 27 -7.682 -12.957 -7.484 205 HD2 PRO 27 HD2 PRO 27 -7.147 -11.820 -4.905 206 HD3 PRO 27 HD3 PRO 27 -7.497 -13.501 -5.258 207 H SER 28 H SER 28 -3.049 -11.545 -8.147 208 HA SER 28 HA SER 28 -2.086 -9.691 -6.127 209 HB2 SER 28 HB2 SER 28 -0.916 -10.941 -8.573 210 HB3 SER 28 HB3 SER 28 -0.461 -9.272 -8.295 211 HG SER 28 HG SER 28 -0.318 -11.200 -6.162 212 H LEU 29 H LEU 29 -3.655 -9.984 -9.332 213 HA LEU 29 HA LEU 29 -3.502 -7.442 -10.272 214 HB2 LEU 29 HB2 LEU 29 -5.828 -7.941 -11.212 215 HB3 LEU 29 HB3 LEU 29 -4.487 -8.970 -11.672 216 HG LEU 29 HG LEU 29 -5.740 -10.089 -9.342 217 HD11 LEU 29 HD11 LEU 29 -7.697 -8.725 -10.133 218 HD12 LEU 29 HD12 LEU 29 -7.681 -9.690 -11.628 219 HD13 LEU 29 HD13 LEU 29 -7.976 -10.482 -10.062 220 HD21 LEU 29 HD21 LEU 29 -6.305 -11.817 -11.349 221 HD22 LEU 29 HD22 LEU 29 -4.989 -10.876 -12.091 222 HD23 LEU 29 HD23 LEU 29 -4.725 -11.704 -10.538 223 H ILE 30 H ILE 30 -5.948 -8.736 -7.924 224 HA ILE 30 HA ILE 30 -7.240 -6.283 -7.569 225 HB ILE 30 HB ILE 30 -8.217 -8.442 -7.027 226 HG12 ILE 30 HG12 ILE 30 -9.305 -7.811 -4.951 227 HG13 ILE 30 HG13 ILE 30 -8.013 -6.694 -4.559 228 HG21 ILE 30 HG21 ILE 30 -6.731 -8.685 -4.464 229 HG22 ILE 30 HG22 ILE 30 -7.421 -9.939 -5.522 230 HG23 ILE 30 HG23 ILE 30 -5.876 -9.165 -5.950 231 HD11 ILE 30 HD11 ILE 30 -9.672 -6.459 -7.107 232 HD12 ILE 30 HD12 ILE 30 -10.095 -5.633 -5.588 233 HD13 ILE 30 HD13 ILE 30 -8.567 -5.245 -6.415 234 H ALA 31 H ALA 31 -4.212 -7.606 -6.334 235 HA ALA 31 HA ALA 31 -4.014 -5.916 -4.079 236 HB1 ALA 31 HB1 ALA 31 -1.867 -6.837 -3.858 237 HB2 ALA 31 HB2 ALA 31 -2.755 -8.117 -4.720 238 HB3 ALA 31 HB3 ALA 31 -1.663 -7.033 -5.615 239 H GLY 32 H GLY 32 -3.078 -5.661 -7.540 240 HA2 GLY 32 HA2 GLY 32 -1.570 -3.274 -7.261 241 HA3 GLY 32 HA3 GLY 32 -2.232 -3.950 -8.737 242 H LEU 33 H LEU 33 -4.941 -3.927 -8.481 243 HA LEU 33 HA LEU 33 -5.641 -1.326 -8.973 244 HB2 LEU 33 HB2 LEU 33 -6.985 -3.118 -9.734 245 HB3 LEU 33 HB3 LEU 33 -7.244 -3.724 -8.110 246 HG LEU 33 HG LEU 33 -8.234 -1.073 -8.117 247 HD11 LEU 33 HD11 LEU 33 -9.209 -2.623 -10.533 248 HD12 LEU 33 HD12 LEU 33 -9.882 -1.095 -9.917 249 HD13 LEU 33 HD13 LEU 33 -8.225 -1.140 -10.566 250 HD21 LEU 33 HD21 LEU 33 -9.164 -2.738 -6.714 251 HD22 LEU 33 HD22 LEU 33 -10.444 -2.274 -7.860 252 HD23 LEU 33 HD23 LEU 33 -9.548 -3.795 -8.093 253 H PHE 34 H PHE 34 -6.075 -3.206 -5.898 254 HA PHE 34 HA PHE 34 -7.234 -1.178 -4.441 255 HB2 PHE 34 HB2 PHE 34 -6.884 -3.656 -3.867 256 HB3 PHE 34 HB3 PHE 34 -5.188 -3.314 -3.589 257 HD1 PHE 34 HD2 PHE 34 -8.581 -2.315 -2.424 258 HD2 PHE 34 HD1 PHE 34 -4.467 -2.713 -1.462 259 HE1 PHE 34 HE2 PHE 34 -9.086 -1.754 -0.030 260 HE2 PHE 34 HE1 PHE 34 -4.973 -2.152 0.932 261 HZ PHE 34 HZ PHE 34 -7.276 -1.679 1.619 262 H VAL 35 H VAL 35 -3.725 -2.015 -4.826 263 HA VAL 35 HA VAL 35 -2.732 -0.123 -3.074 264 HB VAL 35 HB VAL 35 -1.720 -1.613 -5.452 265 HG11 VAL 35 HG11 VAL 35 -0.350 0.766 -4.186 266 HG12 VAL 35 HG12 VAL 35 0.568 -0.543 -4.970 267 HG13 VAL 35 HG13 VAL 35 -0.605 0.410 -5.911 268 HG21 VAL 35 HG21 VAL 35 -1.728 -2.805 -3.384 269 HG22 VAL 35 HG22 VAL 35 -0.037 -2.359 -3.716 270 HG23 VAL 35 HG23 VAL 35 -0.980 -1.442 -2.517 271 H GLY 36 H GLY 36 -3.787 0.149 -6.494 272 HA2 GLY 36 HA2 GLY 36 -2.815 2.806 -6.851 273 HA3 GLY 36 HA3 GLY 36 -3.945 1.934 -7.869 274 H CYS 37 H CYS 37 -5.867 1.313 -5.684 275 HA CYS 37 HA CYS 37 -7.440 3.605 -5.904 276 HB2 CYS 37 HB2 CYS 37 -7.656 0.953 -4.649 277 HB3 CYS 37 HB3 CYS 37 -8.520 2.204 -3.777 278 HG CYS 37 HG CYS 37 -10.408 1.632 -5.180 279 H LEU 38 H LEU 38 -5.592 2.148 -3.128 280 HA LEU 38 HA LEU 38 -6.161 4.260 -1.361 281 HB2 LEU 38 HB2 LEU 38 -4.891 3.123 0.144 282 HB3 LEU 38 HB3 LEU 38 -5.368 1.833 -0.942 283 HG LEU 38 HG LEU 38 -3.079 2.344 -2.125 284 HD11 LEU 38 HD11 LEU 38 -1.554 3.620 -1.102 285 HD12 LEU 38 HD12 LEU 38 -2.934 4.298 -0.205 286 HD13 LEU 38 HD13 LEU 38 -1.963 2.990 0.512 287 HD21 LEU 38 HD21 LEU 38 -2.083 0.576 -0.937 288 HD22 LEU 38 HD22 LEU 38 -2.967 0.965 0.558 289 HD23 LEU 38 HD23 LEU 38 -3.835 0.279 -0.836 290 H ALA 39 H ALA 39 -3.678 3.705 -3.855 291 HA ALA 39 HA ALA 39 -1.873 5.666 -3.024 292 HB1 ALA 39 HB1 ALA 39 -1.052 5.510 -5.348 293 HB2 ALA 39 HB2 ALA 39 -1.385 3.896 -4.676 294 HB3 ALA 39 HB3 ALA 39 -2.532 4.639 -5.815 295 H GLY 40 H GLY 40 -4.848 5.782 -5.049 296 HA2 GLY 40 HA2 GLY 40 -4.519 8.511 -5.809 297 HA3 GLY 40 HA3 GLY 40 -5.958 7.523 -5.963 298 H TYR 41 H TYR 41 -6.668 6.802 -3.417 299 HA TYR 41 HA TYR 41 -7.979 8.986 -2.432 300 HB2 TYR 41 HB2 TYR 41 -8.263 6.489 -1.919 301 HB3 TYR 41 HB3 TYR 41 -6.791 6.544 -0.970 302 HD1 TYR 41 HD2 TYR 41 -10.337 7.532 -1.094 303 HD2 TYR 41 HD1 TYR 41 -6.757 7.552 1.249 304 HE1 TYR 41 HE2 TYR 41 -11.683 8.157 0.970 305 HE2 TYR 41 HE1 TYR 41 -8.116 8.178 3.306 306 HH TYR 41 HH TYR 41 -11.312 7.790 3.539 307 H GLY 42 H GLY 42 -4.667 7.825 -1.679 308 HA2 GLY 42 HA2 GLY 42 -4.332 9.705 0.489 309 HA3 GLY 42 HA3 GLY 42 -3.139 8.609 -0.180 310 H ALA 43 H ALA 43 -3.046 9.263 -2.885 311 HA ALA 43 HA ALA 43 -1.334 11.361 -2.998 312 HB1 ALA 43 HB1 ALA 43 -3.075 9.899 -4.934 313 HB2 ALA 43 HB2 ALA 43 -2.376 11.438 -5.491 314 HB3 ALA 43 HB3 ALA 43 -1.310 10.128 -4.929 315 H TYR 44 H TYR 44 -4.913 11.404 -3.079 316 HA TYR 44 HA TYR 44 -5.563 13.789 -4.048 317 HB2 TYR 44 HB2 TYR 44 -6.464 11.891 -2.040 318 HB3 TYR 44 HB3 TYR 44 -6.690 13.487 -1.353 319 HD1 TYR 44 HD2 TYR 44 -7.492 11.430 -4.366 320 HD2 TYR 44 HD1 TYR 44 -8.558 14.794 -1.947 321 HE1 TYR 44 HE2 TYR 44 -9.657 11.693 -5.673 322 HE2 TYR 44 HE1 TYR 44 -10.720 15.045 -3.262 323 HH TYR 44 HH TYR 44 -11.735 14.466 -5.178 324 H ARG 45 H ARG 45 -4.278 13.290 -0.686 325 HA ARG 45 HA ARG 45 -3.996 16.158 -0.506 326 HB2 ARG 45 HB2 ARG 45 -4.287 13.909 1.409 327 HB3 ARG 45 HB3 ARG 45 -3.075 15.073 1.907 328 HG2 ARG 45 HG2 ARG 45 -4.629 16.697 2.344 329 HG3 ARG 45 HG3 ARG 45 -5.539 16.356 0.886 330 HD2 ARG 45 HD2 ARG 45 -6.606 14.395 1.967 331 HD3 ARG 45 HD3 ARG 45 -5.632 14.625 3.406 332 HE ARG 45 HE ARG 45 -7.966 16.219 2.596 333 HH11 ARG 45 HH22 ARG 45 -5.103 16.081 4.637 334 HH12 ARG 45 HH21 ARG 45 -5.697 17.250 5.768 335 HH21 ARG 45 HH12 ARG 45 -8.750 17.762 4.088 336 HH22 ARG 45 HH11 ARG 45 -7.785 18.213 5.454 337 H VAL 46 H VAL 46 -2.207 13.329 -1.316 338 HA VAL 46 HA VAL 46 -0.087 13.141 -1.990 339 HB VAL 46 HB VAL 46 -0.375 15.899 -1.853 340 HG11 VAL 46 HG11 VAL 46 2.294 15.253 -0.589 341 HG12 VAL 46 HG12 VAL 46 1.507 16.837 -0.794 342 HG13 VAL 46 HG13 VAL 46 0.865 15.670 0.387 343 HG21 VAL 46 HG21 VAL 46 0.517 14.592 -3.735 344 HG22 VAL 46 HG22 VAL 46 1.595 15.944 -3.314 345 HG23 VAL 46 HG23 VAL 46 2.011 14.286 -2.818 346 H SER 47 H SER 47 -1.314 13.554 1.124 347 HA SER 47 HA SER 47 1.209 12.739 2.320 348 HB2 SER 47 HB2 SER 47 0.177 14.688 3.383 349 HB3 SER 47 HB3 SER 47 -1.349 13.845 3.555 350 HG SER 47 HG SER 47 0.446 13.966 5.404 351 H ASN 48 H ASN 48 1.383 10.730 3.399 352 HA ASN 48 HA ASN 48 -0.573 9.200 4.371 353 HB2 ASN 48 HB2 ASN 48 -0.591 9.121 1.413 354 HB3 ASN 48 HB3 ASN 48 -0.377 7.524 2.104 355 HD21 ASN 48 HD21 ASN 48 -2.447 7.043 1.218 356 HD22 ASN 48 HD22 ASN 48 -3.904 7.478 2.047 357 H ASP 49 H ASP 49 2.122 8.984 1.933 358 HA ASP 49 HA ASP 49 3.725 7.633 3.865 359 HB2 ASP 49 HB2 ASP 49 2.256 5.911 2.467 360 HB3 ASP 49 HB3 ASP 49 3.407 6.246 1.189 361 H LYS 50 H LYS 50 3.176 8.595 0.412 362 HA LYS 50 HA LYS 50 5.634 10.077 0.422 363 HB2 LYS 50 HB2 LYS 50 5.568 7.388 -0.665 364 HB3 LYS 50 HB3 LYS 50 5.904 8.553 -1.930 365 HG2 LYS 50 HG2 LYS 50 7.954 9.110 -1.058 366 HG3 LYS 50 HG3 LYS 50 7.370 9.099 0.594 367 HD2 LYS 50 HD2 LYS 50 7.261 6.473 0.269 368 HD3 LYS 50 HD3 LYS 50 8.340 6.763 -1.080 369 HE2 LYS 50 HE2 LYS 50 9.223 8.253 1.286 370 HE3 LYS 50 HE3 LYS 50 9.053 6.549 1.657 371 HZ1 LYS 50 HZ1 LYS 50 10.661 6.001 0.193 372 HZ2 LYS 50 HZ2 LYS 50 10.369 7.244 -0.826 373 HZ3 LYS 50 HZ3 LYS 50 11.196 7.500 0.559 374 H ARG 51 H ARG 51 5.884 10.794 -2.173 375 HA ARG 51 HA ARG 51 3.850 12.548 -2.523 376 HB2 ARG 51 HB2 ARG 51 4.739 12.325 -5.087 377 HB3 ARG 51 HB3 ARG 51 5.656 13.146 -3.839 378 HG2 ARG 51 HG2 ARG 51 7.233 11.464 -3.688 379 HG3 ARG 51 HG3 ARG 51 6.061 10.189 -3.958 380 HD2 ARG 51 HD2 ARG 51 7.779 10.566 -5.842 381 HD3 ARG 51 HD3 ARG 51 6.100 10.489 -6.337 382 HE ARG 51 HE ARG 51 6.436 13.180 -5.900 383 HH11 ARG 51 HH22 ARG 51 8.295 10.825 -7.739 384 HH12 ARG 51 HH21 ARG 51 8.862 11.985 -8.894 385 HH21 ARG 51 HH12 ARG 51 7.184 14.710 -7.423 386 HH22 ARG 51 HH11 ARG 51 8.227 14.210 -8.713 387 H ASP 52 H ASP 52 4.465 10.012 -5.037 388 HA ASP 52 HA ASP 52 1.850 8.955 -4.753 389 HB2 ASP 52 HB2 ASP 52 1.923 11.227 -6.270 390 HB3 ASP 52 HB3 ASP 52 2.335 10.053 -7.504 391 H VAL 53 H VAL 53 4.564 9.548 -7.117 392 HA VAL 53 HA VAL 53 4.381 6.920 -8.203 393 HB VAL 53 HB VAL 53 6.626 8.928 -8.433 394 HG11 VAL 53 HG11 VAL 53 7.537 7.521 -9.906 395 HG12 VAL 53 HG12 VAL 53 6.309 6.317 -9.450 396 HG13 VAL 53 HG13 VAL 53 6.013 7.414 -10.819 397 HG21 VAL 53 HG21 VAL 53 5.318 9.489 -10.630 398 HG22 VAL 53 HG22 VAL 53 3.917 8.844 -9.741 399 HG23 VAL 53 HG23 VAL 53 4.822 10.232 -9.090 400 H LYS 54 H LYS 54 6.386 8.601 -5.740 401 HA LYS 54 HA LYS 54 8.262 6.558 -5.415 402 HB2 LYS 54 HB2 LYS 54 7.695 9.105 -4.302 403 HB3 LYS 54 HB3 LYS 54 7.783 7.985 -2.958 404 HG2 LYS 54 HG2 LYS 54 10.013 7.380 -3.418 405 HG3 LYS 54 HG3 LYS 54 9.893 7.806 -5.114 406 HD2 LYS 54 HD2 LYS 54 9.608 10.262 -4.319 407 HD3 LYS 54 HD3 LYS 54 10.111 9.699 -2.737 408 HE2 LYS 54 HE2 LYS 54 12.194 8.702 -3.882 409 HE3 LYS 54 HE3 LYS 54 11.715 9.567 -5.329 410 HZ1 LYS 54 HZ1 LYS 54 11.822 11.082 -2.869 411 HZ2 LYS 54 HZ2 LYS 54 13.248 10.634 -3.525 412 HZ3 LYS 54 HZ3 LYS 54 12.201 11.540 -4.390 413 H VAL 55 H VAL 55 4.992 7.106 -4.052 414 HA VAL 55 HA VAL 55 5.229 4.925 -2.221 415 HB VAL 55 HB VAL 55 3.842 6.921 -1.830 416 HG11 VAL 55 HG11 VAL 55 2.963 7.513 -3.930 417 HG12 VAL 55 HG12 VAL 55 2.332 5.876 -4.231 418 HG13 VAL 55 HG13 VAL 55 1.556 6.919 -3.014 419 HG21 VAL 55 HG21 VAL 55 2.382 5.759 -0.546 420 HG22 VAL 55 HG22 VAL 55 1.792 4.780 -1.910 421 HG23 VAL 55 HG23 VAL 55 3.323 4.356 -1.107 422 H SER 56 H SER 56 4.131 5.445 -5.569 423 HA SER 56 HA SER 56 2.603 3.188 -5.854 424 HB2 SER 56 HB2 SER 56 3.381 5.246 -7.483 425 HB3 SER 56 HB3 SER 56 4.341 3.947 -8.163 426 HG SER 56 HG SER 56 2.308 4.008 -9.219 427 H LEU 57 H LEU 57 6.130 3.667 -6.632 428 HA LEU 57 HA LEU 57 6.540 0.925 -7.188 429 HB2 LEU 57 HB2 LEU 57 7.881 2.691 -8.172 430 HB3 LEU 57 HB3 LEU 57 8.460 3.180 -6.592 431 HG LEU 57 HG LEU 57 10.163 1.923 -7.765 432 HD11 LEU 57 HD11 LEU 57 9.188 0.023 -5.648 433 HD12 LEU 57 HD12 LEU 57 10.846 0.555 -6.021 434 HD13 LEU 57 HD13 LEU 57 9.710 1.671 -5.224 435 HD21 LEU 57 HD21 LEU 57 9.930 -0.203 -8.671 436 HD22 LEU 57 HD22 LEU 57 8.460 -0.557 -7.732 437 HD23 LEU 57 HD23 LEU 57 8.392 0.586 -9.095 438 H PHE 58 H PHE 58 7.556 3.024 -4.395 439 HA PHE 58 HA PHE 58 8.690 1.154 -2.828 440 HB2 PHE 58 HB2 PHE 58 8.387 3.623 -2.368 441 HB3 PHE 58 HB3 PHE 58 6.674 3.365 -2.099 442 HD1 PHE 58 HD2 PHE 58 10.030 2.908 -0.706 443 HD2 PHE 58 HD1 PHE 58 5.873 2.381 -0.037 444 HE1 PHE 58 HE2 PHE 58 10.473 2.511 1.733 445 HE2 PHE 58 HE1 PHE 58 6.316 1.984 2.402 446 HZ PHE 58 HZ PHE 58 8.610 2.054 3.258 447 H THR 59 H THR 59 5.209 1.580 -3.504 448 HA THR 59 HA THR 59 4.371 -0.172 -1.401 449 HB THR 59 HB THR 59 3.057 1.116 -3.842 450 HG1 THR 59 HG1 THR 59 1.997 2.129 -1.832 451 HG21 THR 59 HG21 THR 59 0.893 0.476 -2.651 452 HG22 THR 59 HG22 THR 59 1.740 -0.905 -3.390 453 HG23 THR 59 HG23 THR 59 1.849 -0.630 -1.635 454 H ALA 60 H ALA 60 4.404 -0.502 -5.019 455 HA ALA 60 HA ALA 60 3.608 -3.046 -5.259 456 HB1 ALA 60 HB1 ALA 60 5.503 -3.068 -7.134 457 HB2 ALA 60 HB2 ALA 60 4.080 -2.009 -7.270 458 HB3 ALA 60 HB3 ALA 60 5.628 -1.349 -6.692 459 H PHE 61 H PHE 61 6.905 -1.934 -4.282 460 HA PHE 61 HA PHE 61 7.940 -4.560 -4.116 461 HB2 PHE 61 HB2 PHE 61 8.848 -1.911 -4.087 462 HB3 PHE 61 HB3 PHE 61 9.032 -2.347 -2.400 463 HD1 PHE 61 HD2 PHE 61 9.714 -3.958 -5.709 464 HD2 PHE 61 HD1 PHE 61 11.134 -3.056 -1.813 465 HE1 PHE 61 HE2 PHE 61 11.889 -5.092 -6.239 466 HE2 PHE 61 HE1 PHE 61 13.309 -4.190 -2.344 467 HZ PHE 61 HZ PHE 61 13.661 -5.195 -4.550 468 H PHE 62 H PHE 62 6.566 -2.218 -1.730 469 HA PHE 62 HA PHE 62 7.150 -3.675 0.551 470 HB2 PHE 62 HB2 PHE 62 6.236 -1.274 0.237 471 HB3 PHE 62 HB3 PHE 62 4.671 -1.979 -0.119 472 HD1 PHE 62 HD2 PHE 62 3.669 -3.533 1.716 473 HD2 PHE 62 HD1 PHE 62 6.779 -0.736 2.431 474 HE1 PHE 62 HE2 PHE 62 3.118 -3.546 4.165 475 HE2 PHE 62 HE1 PHE 62 6.228 -0.750 4.880 476 HZ PHE 62 HZ PHE 62 4.404 -2.155 5.717 477 H LEU 63 H LEU 63 3.943 -3.478 -1.168 478 HA LEU 63 HA LEU 63 2.741 -5.496 0.280 479 HB2 LEU 63 HB2 LEU 63 2.005 -3.735 -1.661 480 HB3 LEU 63 HB3 LEU 63 1.960 -5.244 -2.551 481 HG LEU 63 HG LEU 63 -0.222 -4.922 -1.751 482 HD11 LEU 63 HD11 LEU 63 0.500 -6.686 0.497 483 HD12 LEU 63 HD12 LEU 63 -0.584 -6.962 -0.888 484 HD13 LEU 63 HD13 LEU 63 1.175 -7.162 -1.080 485 HD21 LEU 63 HD21 LEU 63 1.087 -4.059 0.816 486 HD22 LEU 63 HD22 LEU 63 -0.111 -3.209 -0.189 487 HD23 LEU 63 HD23 LEU 63 -0.606 -4.609 0.792 488 H ALA 64 H ALA 64 4.707 -5.639 -2.743 489 HA ALA 64 HA ALA 64 4.325 -8.268 -3.391 490 HB1 ALA 64 HB1 ALA 64 5.549 -7.000 -4.920 491 HB2 ALA 64 HB2 ALA 64 6.611 -6.320 -3.664 492 HB3 ALA 64 HB3 ALA 64 6.820 -8.008 -4.188 493 H THR 65 H THR 65 6.564 -6.823 -0.954 494 HA THR 65 HA THR 65 7.713 -9.336 -0.259 495 HB THR 65 HB THR 65 7.682 -6.526 0.939 496 HG1 THR 65 HG1 THR 65 9.995 -6.926 0.188 497 HG21 THR 65 HG21 THR 65 9.677 -8.641 1.760 498 HG22 THR 65 HG22 THR 65 9.156 -7.185 2.641 499 HG23 THR 65 HG23 THR 65 8.102 -8.618 2.588 500 H ILE 66 H ILE 66 5.212 -7.215 1.277 501 HA ILE 66 HA ILE 66 4.735 -8.670 3.512 502 HB ILE 66 HB ILE 66 2.927 -7.087 1.709 503 HG12 ILE 66 HG12 ILE 66 4.604 -5.811 2.886 504 HG13 ILE 66 HG13 ILE 66 3.026 -5.472 3.569 505 HG21 ILE 66 HG21 ILE 66 2.194 -8.638 4.182 506 HG22 ILE 66 HG22 ILE 66 1.345 -7.134 3.751 507 HG23 ILE 66 HG23 ILE 66 1.337 -8.514 2.627 508 HD11 ILE 66 HD11 ILE 66 3.858 -7.629 5.110 509 HD12 ILE 66 HD12 ILE 66 5.380 -6.753 4.819 510 HD13 ILE 66 HD13 ILE 66 4.004 -5.918 5.579 511 H MET 67 H MET 67 3.223 -9.193 0.252 512 HA MET 67 HA MET 67 1.839 -11.469 1.101 513 HB2 MET 67 HB2 MET 67 2.329 -9.934 -1.371 514 HB3 MET 67 HB3 MET 67 2.287 -11.654 -1.708 515 HG2 MET 67 HG2 MET 67 0.109 -11.509 -0.088 516 HG3 MET 67 HG3 MET 67 0.097 -9.862 -0.687 517 HE1 MET 67 HE1 MET 67 -2.017 -10.018 -3.213 518 HE2 MET 67 HE2 MET 67 -0.768 -9.112 -2.326 519 HE3 MET 67 HE3 MET 67 -0.464 -9.642 -3.998 520 H GLY 68 H GLY 68 4.902 -11.025 -0.798 521 HA2 GLY 68 HA2 GLY 68 6.740 -12.500 -0.173 522 HA3 GLY 68 HA3 GLY 68 5.590 -13.821 -0.113 523 H VAL 69 H VAL 69 5.671 -11.174 -2.560 524 HA VAL 69 HA VAL 69 5.528 -13.060 -4.673 525 HB VAL 69 HB VAL 69 6.063 -10.082 -4.666 526 HG11 VAL 69 HG11 VAL 69 5.863 -12.074 -6.826 527 HG12 VAL 69 HG12 VAL 69 4.789 -10.669 -7.031 528 HG13 VAL 69 HG13 VAL 69 6.543 -10.429 -6.838 529 HG21 VAL 69 HG21 VAL 69 3.464 -11.625 -4.977 530 HG22 VAL 69 HG22 VAL 69 3.946 -10.644 -3.572 531 HG23 VAL 69 HG23 VAL 69 3.656 -9.863 -5.145 532 H ARG 70 H ARG 70 8.048 -10.556 -3.871 533 HA ARG 70 HA ARG 70 9.903 -11.529 -5.613 534 HB2 ARG 70 HB2 ARG 70 9.791 -9.401 -3.922 535 HB3 ARG 70 HB3 ARG 70 10.876 -10.413 -2.989 536 HG2 ARG 70 HG2 ARG 70 12.339 -9.151 -4.366 537 HG3 ARG 70 HG3 ARG 70 12.242 -10.699 -5.182 538 HD2 ARG 70 HD2 ARG 70 10.483 -9.783 -6.714 539 HD3 ARG 70 HD3 ARG 70 10.576 -8.235 -5.897 540 HE ARG 70 HE ARG 70 13.183 -9.152 -6.846 541 HH11 ARG 70 HH22 ARG 70 10.225 -7.491 -7.781 542 HH12 ARG 70 HH21 ARG 70 10.972 -6.622 -9.080 543 HH21 ARG 70 HH12 ARG 70 14.169 -8.006 -8.560 544 HH22 ARG 70 HH11 ARG 70 13.230 -6.917 -9.526 545 H PHE 71 H PHE 71 10.236 -13.791 -5.598 546 HA PHE 71 HA PHE 71 11.943 -14.773 -3.552 547 HB2 PHE 71 HB2 PHE 71 9.339 -14.895 -2.834 548 HB3 PHE 71 HB3 PHE 71 9.304 -16.256 -3.937 549 HD1 PHE 71 HD2 PHE 71 11.005 -14.964 -0.902 550 HD2 PHE 71 HD1 PHE 71 10.054 -18.370 -3.248 551 HE1 PHE 71 HE2 PHE 71 11.873 -16.459 0.917 552 HE2 PHE 71 HE1 PHE 71 10.922 -19.865 -1.428 553 HZ PHE 71 HZ PHE 71 11.821 -18.892 0.633 554 H LYS 72 H LYS 72 13.428 -15.767 -4.832 555 HA LYS 72 HA LYS 72 14.281 -17.242 -6.249 556 HB2 LYS 72 HB2 LYS 72 11.913 -18.475 -5.516 557 HB3 LYS 72 HB3 LYS 72 11.816 -18.468 -7.265 558 HG2 LYS 72 HG2 LYS 72 13.698 -19.824 -7.525 559 HG3 LYS 72 HG3 LYS 72 14.458 -19.243 -6.056 560 HD2 LYS 72 HD2 LYS 72 13.373 -20.779 -4.713 561 HD3 LYS 72 HD3 LYS 72 11.893 -20.717 -5.649 562 HE2 LYS 72 HE2 LYS 72 12.895 -22.121 -7.416 563 HE3 LYS 72 HE3 LYS 72 14.449 -22.090 -6.607 564 HZ1 LYS 72 HZ1 LYS 72 13.559 -24.026 -5.859 565 HZ2 LYS 72 HZ2 LYS 72 13.075 -23.033 -4.657 566 HZ3 LYS 72 HZ3 LYS 72 12.021 -23.479 -5.822 567 H ARG 73 H ARG 73 11.085 -16.583 -7.839 568 HA ARG 73 HA ARG 73 12.423 -14.802 -9.639 569 HB2 ARG 73 HB2 ARG 73 12.109 -17.529 -10.356 570 HB3 ARG 73 HB3 ARG 73 10.811 -16.707 -11.199 571 HG2 ARG 73 HG2 ARG 73 12.572 -15.004 -12.004 572 HG3 ARG 73 HG3 ARG 73 13.792 -16.088 -11.365 573 HD2 ARG 73 HD2 ARG 73 12.791 -17.943 -12.812 574 HD3 ARG 73 HD3 ARG 73 11.748 -16.738 -13.541 575 HE ARG 73 HE ARG 73 14.476 -15.826 -13.647 576 HH11 ARG 73 HH22 ARG 73 12.317 -18.182 -15.121 577 HH12 ARG 73 HH21 ARG 73 13.190 -18.237 -16.616 578 HH21 ARG 73 HH12 ARG 73 15.628 -15.898 -15.619 579 HH22 ARG 73 HH11 ARG 73 15.086 -16.929 -16.901 580 H SER 74 H SER 74 10.770 -13.716 -11.146 581 HA SER 74 HA SER 74 8.064 -14.001 -10.147 582 HB2 SER 74 HB2 SER 74 7.930 -11.409 -10.235 583 HB3 SER 74 HB3 SER 74 8.713 -12.142 -8.849 584 HG SER 74 HG SER 74 10.791 -11.798 -9.972 585 H LYS 75 H LYS 75 9.996 -11.848 -12.368 586 HA LYS 75 HA LYS 75 9.659 -11.238 -14.468 587 HB2 LYS 75 HB2 LYS 75 9.989 -13.981 -14.411 588 HB3 LYS 75 HB3 LYS 75 8.554 -13.797 -15.399 589 HG2 LYS 75 HG2 LYS 75 9.741 -12.163 -16.855 590 HG3 LYS 75 HG3 LYS 75 11.170 -12.284 -15.849 591 HD2 LYS 75 HD2 LYS 75 11.738 -14.393 -16.648 592 HD3 LYS 75 HD3 LYS 75 10.071 -14.871 -16.898 593 HE2 LYS 75 HE2 LYS 75 9.941 -13.333 -18.883 594 HE3 LYS 75 HE3 LYS 75 11.620 -12.893 -18.641 595 HZ1 LYS 75 HZ1 LYS 75 11.194 -15.708 -18.736 596 HZ2 LYS 75 HZ2 LYS 75 10.769 -14.952 -20.119 597 HZ3 LYS 75 HZ3 LYS 75 12.286 -14.794 -19.535 598 H LYS 76 H LYS 76 7.590 -10.484 -12.714 599 HA LYS 76 HA LYS 76 5.471 -9.848 -12.637 600 HB2 LYS 76 HB2 LYS 76 5.971 -9.677 -15.618 601 HB3 LYS 76 HB3 LYS 76 4.520 -9.060 -14.855 602 HG2 LYS 76 HG2 LYS 76 5.709 -7.135 -14.561 603 HG3 LYS 76 HG3 LYS 76 6.474 -7.974 -13.226 604 HD2 LYS 76 HD2 LYS 76 8.342 -8.671 -14.625 605 HD3 LYS 76 HD3 LYS 76 7.530 -8.139 -16.083 606 HE2 LYS 76 HE2 LYS 76 7.851 -6.027 -14.000 607 HE3 LYS 76 HE3 LYS 76 9.355 -6.621 -14.674 608 HZ1 LYS 76 HZ1 LYS 76 7.254 -6.056 -16.564 609 HZ2 LYS 76 HZ2 LYS 76 7.918 -4.761 -15.823 610 HZ3 LYS 76 HZ3 LYS 76 8.860 -5.784 -16.679 611 H ILE 77 H ILE 77 5.433 -12.380 -12.009 612 HA ILE 77 HA ILE 77 3.374 -13.568 -13.738 613 HB ILE 77 HB ILE 77 5.581 -14.859 -12.141 614 HG12 ILE 77 HG12 ILE 77 4.885 -15.107 -15.079 615 HG13 ILE 77 HG13 ILE 77 6.060 -13.968 -14.451 616 HG21 ILE 77 HG21 ILE 77 3.326 -16.290 -13.567 617 HG22 ILE 77 HG22 ILE 77 4.641 -17.007 -12.604 618 HG23 ILE 77 HG23 ILE 77 3.390 -16.023 -11.808 619 HD11 ILE 77 HD11 ILE 77 7.217 -15.984 -13.325 620 HD12 ILE 77 HD12 ILE 77 6.166 -17.007 -14.334 621 HD13 ILE 77 HD13 ILE 77 7.325 -15.894 -15.100 622 H MET 78 H MET 78 4.628 -13.374 -10.335 623 HA MET 78 HA MET 78 2.119 -14.221 -9.321 624 HB2 MET 78 HB2 MET 78 4.811 -13.912 -8.394 625 HB3 MET 78 HB3 MET 78 3.855 -12.838 -7.392 626 HG2 MET 78 HG2 MET 78 3.494 -14.749 -6.158 627 HG3 MET 78 HG3 MET 78 2.230 -15.030 -7.338 628 HE1 MET 78 HE1 MET 78 3.228 -18.321 -6.676 629 HE2 MET 78 HE2 MET 78 4.760 -17.805 -5.932 630 HE3 MET 78 HE3 MET 78 3.261 -16.905 -5.598 631 HA PRO 79 HA PRO 79 1.862 -9.617 -8.203 632 HB2 PRO 79 HB2 PRO 79 3.676 -7.853 -9.235 633 HB3 PRO 79 HB3 PRO 79 3.831 -8.565 -7.642 634 HG2 PRO 79 HG2 PRO 79 5.320 -9.209 -10.114 635 HG3 PRO 79 HG3 PRO 79 5.734 -9.587 -8.453 636 HD2 PRO 79 HD2 PRO 79 4.657 -11.390 -10.406 637 HD3 PRO 79 HD3 PRO 79 4.962 -11.737 -8.716 638 H ALA 80 H ALA 80 3.450 -8.543 -11.107 639 HA ALA 80 HA ALA 80 2.652 -7.935 -13.083 640 HB1 ALA 80 HB1 ALA 80 0.111 -9.475 -12.443 641 HB2 ALA 80 HB2 ALA 80 0.774 -9.076 -14.046 642 HB3 ALA 80 HB3 ALA 80 1.609 -10.255 -13.006 643 H GLY 81 H GLY 81 -0.215 -8.030 -10.839 644 HA2 GLY 81 HA2 GLY 81 -1.227 -5.544 -11.796 645 HA3 GLY 81 HA3 GLY 81 -1.772 -6.455 -10.402 646 H LEU 82 H LEU 82 0.940 -6.577 -9.134 647 HA LEU 82 HA LEU 82 0.750 -4.277 -7.583 648 HB2 LEU 82 HB2 LEU 82 2.282 -6.682 -7.679 649 HB3 LEU 82 HB3 LEU 82 3.388 -5.340 -7.459 650 HG LEU 82 HG LEU 82 2.414 -4.698 -5.417 651 HD11 LEU 82 HD11 LEU 82 0.286 -6.019 -4.622 652 HD12 LEU 82 HD12 LEU 82 0.135 -4.594 -5.677 653 HD13 LEU 82 HD13 LEU 82 0.023 -6.230 -6.369 654 HD21 LEU 82 HD21 LEU 82 3.181 -6.403 -4.197 655 HD22 LEU 82 HD22 LEU 82 1.961 -7.531 -4.837 656 HD23 LEU 82 HD23 LEU 82 3.458 -7.226 -5.751 657 H VAL 83 H VAL 83 3.273 -5.162 -10.051 658 HA VAL 83 HA VAL 83 4.357 -2.545 -10.028 659 HB VAL 83 HB VAL 83 4.648 -4.907 -11.890 660 HG11 VAL 83 HG11 VAL 83 6.330 -2.379 -11.813 661 HG12 VAL 83 HG12 VAL 83 6.575 -3.793 -12.866 662 HG13 VAL 83 HG13 VAL 83 5.129 -2.775 -13.066 663 HG21 VAL 83 HG21 VAL 83 7.056 -4.461 -10.591 664 HG22 VAL 83 HG22 VAL 83 5.843 -4.131 -9.331 665 HG23 VAL 83 HG23 VAL 83 5.850 -5.700 -10.171 666 H ALA 84 H ALA 84 2.636 -4.366 -12.669 667 HA ALA 84 HA ALA 84 2.244 -2.347 -14.400 668 HB1 ALA 84 HB1 ALA 84 1.557 -4.810 -14.537 669 HB2 ALA 84 HB2 ALA 84 0.067 -4.340 -13.685 670 HB3 ALA 84 HB3 ALA 84 0.439 -3.640 -15.278 671 H GLY 85 H GLY 85 0.686 -2.818 -11.241 672 HA2 GLY 85 HA2 GLY 85 -1.428 -0.948 -11.657 673 HA3 GLY 85 HA3 GLY 85 -0.882 -1.625 -10.136 674 H LEU 86 H LEU 86 1.715 -0.831 -9.821 675 HA LEU 86 HA LEU 86 1.534 1.731 -8.911 676 HB2 LEU 86 HB2 LEU 86 3.715 1.522 -8.342 677 HB3 LEU 86 HB3 LEU 86 3.300 -0.161 -8.595 678 HG LEU 86 HG LEU 86 4.189 0.294 -11.039 679 HD11 LEU 86 HD11 LEU 86 4.469 2.789 -10.383 680 HD12 LEU 86 HD12 LEU 86 5.963 2.239 -9.587 681 HD13 LEU 86 HD13 LEU 86 5.742 1.988 -11.336 682 HD21 LEU 86 HD21 LEU 86 5.135 -1.041 -8.886 683 HD22 LEU 86 HD22 LEU 86 5.971 -0.955 -10.455 684 HD23 LEU 86 HD23 LEU 86 6.447 0.137 -9.133 685 H SER 87 H SER 87 2.578 0.567 -12.157 686 HA SER 87 HA SER 87 3.360 3.086 -13.053 687 HB2 SER 87 HB2 SER 87 3.692 0.611 -14.016 688 HB3 SER 87 HB3 SER 87 2.263 1.011 -14.948 689 HG SER 87 HG SER 87 3.499 2.160 -16.251 690 H LEU 88 H LEU 88 0.325 1.148 -13.581 691 HA LEU 88 HA LEU 88 -1.033 2.967 -15.114 692 HB2 LEU 88 HB2 LEU 88 -1.528 0.518 -14.023 693 HB3 LEU 88 HB3 LEU 88 -2.640 1.522 -13.114 694 HG LEU 88 HG LEU 88 -2.608 1.843 -16.084 695 HD11 LEU 88 HD11 LEU 88 -2.806 -0.723 -14.971 696 HD12 LEU 88 HD12 LEU 88 -4.477 -0.232 -15.340 697 HD13 LEU 88 HD13 LEU 88 -3.241 -0.215 -16.621 698 HD21 LEU 88 HD21 LEU 88 -4.631 2.776 -15.789 699 HD22 LEU 88 HD22 LEU 88 -5.133 1.569 -14.580 700 HD23 LEU 88 HD23 LEU 88 -4.103 2.937 -14.096 701 H MET 89 H MET 89 -0.132 3.130 -11.728 702 HA MET 89 HA MET 89 -2.137 5.036 -11.075 703 HB2 MET 89 HB2 MET 89 -0.674 3.330 -9.587 704 HB3 MET 89 HB3 MET 89 0.451 4.672 -9.523 705 HG2 MET 89 HG2 MET 89 -2.342 5.503 -8.997 706 HG3 MET 89 HG3 MET 89 -1.763 4.315 -7.846 707 HE1 MET 89 HE1 MET 89 -1.394 7.378 -9.678 708 HE2 MET 89 HE2 MET 89 -1.235 8.519 -8.320 709 HE3 MET 89 HE3 MET 89 0.204 8.036 -9.251 710 H MET 90 H MET 90 1.499 5.278 -11.052 711 HA MET 90 HA MET 90 1.666 7.957 -10.885 712 HB2 MET 90 HB2 MET 90 3.935 7.678 -11.728 713 HB3 MET 90 HB3 MET 90 3.537 6.186 -10.899 714 HG2 MET 90 HG2 MET 90 4.006 5.050 -12.808 715 HG3 MET 90 HG3 MET 90 2.622 5.813 -13.567 716 HE1 MET 90 HE1 MET 90 6.775 5.897 -13.821 717 HE2 MET 90 HE2 MET 90 5.497 4.716 -14.197 718 HE3 MET 90 HE3 MET 90 6.176 5.734 -15.489 719 H ILE 91 H ILE 91 0.517 6.074 -13.599 720 HA ILE 91 HA ILE 91 0.973 8.216 -15.490 721 HB ILE 91 HB ILE 91 -0.003 5.398 -15.607 722 HG12 ILE 91 HG12 ILE 91 1.954 6.837 -17.405 723 HG13 ILE 91 HG13 ILE 91 2.432 6.178 -15.853 724 HG21 ILE 91 HG21 ILE 91 -1.685 6.145 -16.957 725 HG22 ILE 91 HG22 ILE 91 -0.794 7.600 -17.463 726 HG23 ILE 91 HG23 ILE 91 -0.375 6.015 -18.155 727 HD11 ILE 91 HD11 ILE 91 1.172 3.993 -16.782 728 HD12 ILE 91 HD12 ILE 91 1.570 4.739 -18.349 729 HD13 ILE 91 HD13 ILE 91 2.868 4.337 -17.199 730 H LEU 92 H LEU 92 -1.784 6.536 -13.853 731 HA LEU 92 HA LEU 92 -3.816 7.990 -15.020 732 HB2 LEU 92 HB2 LEU 92 -4.729 6.313 -13.877 733 HB3 LEU 92 HB3 LEU 92 -3.435 6.265 -12.697 734 HG LEU 92 HG LEU 92 -5.556 8.408 -12.603 735 HD11 LEU 92 HD11 LEU 92 -6.312 5.833 -12.560 736 HD12 LEU 92 HD12 LEU 92 -5.867 6.034 -10.848 737 HD13 LEU 92 HD13 LEU 92 -7.092 7.098 -11.580 738 HD21 LEU 92 HD21 LEU 92 -4.247 7.267 -10.185 739 HD22 LEU 92 HD22 LEU 92 -3.259 8.291 -11.253 740 HD23 LEU 92 HD23 LEU 92 -4.758 8.934 -10.542 741 H ARG 93 H ARG 93 -1.385 8.940 -12.667 742 HA ARG 93 HA ARG 93 -2.931 11.275 -11.981 743 HB2 ARG 93 HB2 ARG 93 -0.812 9.719 -10.720 744 HB3 ARG 93 HB3 ARG 93 -0.314 11.396 -10.816 745 HG2 ARG 93 HG2 ARG 93 -3.133 11.099 -9.975 746 HG3 ARG 93 HG3 ARG 93 -2.020 10.297 -8.885 747 HD2 ARG 93 HD2 ARG 93 -0.656 12.448 -8.797 748 HD3 ARG 93 HD3 ARG 93 -1.906 13.226 -9.749 749 HE ARG 93 HE ARG 93 -3.317 12.091 -7.645 750 HH11 ARG 93 HH22 ARG 93 -0.568 14.277 -7.861 751 HH12 ARG 93 HH21 ARG 93 -0.924 15.078 -6.367 752 HH21 ARG 93 HH12 ARG 93 -3.788 13.147 -5.674 753 HH22 ARG 93 HH11 ARG 93 -2.768 14.431 -5.115 754 H LEU 94 H LEU 94 0.186 10.281 -13.523 755 HA LEU 94 HA LEU 94 1.147 12.849 -14.021 756 HB2 LEU 94 HB2 LEU 94 2.578 10.945 -14.103 757 HB3 LEU 94 HB3 LEU 94 1.617 10.188 -15.358 758 HG LEU 94 HG LEU 94 2.400 12.668 -16.434 759 HD11 LEU 94 HD11 LEU 94 5.012 11.533 -15.829 760 HD12 LEU 94 HD12 LEU 94 4.444 13.218 -15.745 761 HD13 LEU 94 HD13 LEU 94 4.177 12.119 -14.370 762 HD21 LEU 94 HD21 LEU 94 2.087 10.414 -17.532 763 HD22 LEU 94 HD22 LEU 94 3.490 11.361 -18.083 764 HD23 LEU 94 HD23 LEU 94 3.721 9.999 -16.959 765 H VAL 95 H VAL 95 -1.540 11.105 -15.352 766 HA VAL 95 HA VAL 95 -1.517 12.349 -17.908 767 HB VAL 95 HB VAL 95 -3.608 10.873 -16.306 768 HG11 VAL 95 HG11 VAL 95 -4.504 12.591 -18.006 769 HG12 VAL 95 HG12 VAL 95 -3.841 11.506 -19.251 770 HG13 VAL 95 HG13 VAL 95 -5.090 10.915 -18.129 771 HG21 VAL 95 HG21 VAL 95 -1.355 9.958 -17.657 772 HG22 VAL 95 HG22 VAL 95 -2.768 8.988 -17.175 773 HG23 VAL 95 HG23 VAL 95 -2.683 9.687 -18.810 774 H LEU 96 H LEU 96 -4.082 12.657 -15.371 775 HA LEU 96 HA LEU 96 -5.108 15.011 -16.231 776 HB2 LEU 96 HB2 LEU 96 -6.282 15.064 -14.282 777 HB3 LEU 96 HB3 LEU 96 -5.815 13.376 -14.358 778 HG LEU 96 HG LEU 96 -3.744 14.613 -12.929 779 HD11 LEU 96 HD11 LEU 96 -6.435 15.750 -12.149 780 HD12 LEU 96 HD12 LEU 96 -5.038 15.689 -11.047 781 HD13 LEU 96 HD13 LEU 96 -4.940 16.627 -12.557 782 HD21 LEU 96 HD21 LEU 96 -4.280 13.103 -11.271 783 HD22 LEU 96 HD22 LEU 96 -6.033 13.257 -11.542 784 HD23 LEU 96 HD23 LEU 96 -5.030 12.352 -12.701 785 H LEU 97 H LEU 97 -2.069 14.442 -14.497 786 HA LEU 97 HA LEU 97 -0.587 15.864 -13.603 787 HB2 LEU 97 HB2 LEU 97 -0.391 15.809 -16.188 788 HB3 LEU 97 HB3 LEU 97 -0.969 17.462 -16.116 789 HG LEU 97 HG LEU 97 1.432 16.561 -14.522 790 HD11 LEU 97 HD11 LEU 97 1.880 17.960 -17.103 791 HD12 LEU 97 HD12 LEU 97 2.868 16.742 -16.261 792 HD13 LEU 97 HD13 LEU 97 1.433 16.239 -17.187 793 HD21 LEU 97 HD21 LEU 97 0.569 18.652 -13.783 794 HD22 LEU 97 HD22 LEU 97 2.018 18.996 -14.758 795 HD23 LEU 97 HD23 LEU 97 0.398 19.248 -15.451 796 H LEU 98 H LEU 98 -2.769 16.382 -12.203 797 HA LEU 98 HA LEU 98 -4.113 17.928 -11.288 798 HB2 LEU 98 HB2 LEU 98 -1.808 19.793 -11.151 799 HB3 LEU 98 HB3 LEU 98 -2.917 19.271 -9.899 800 HG LEU 98 HG LEU 98 -1.506 16.951 -10.564 801 HD11 LEU 98 HD11 LEU 98 0.150 19.348 -11.044 802 HD12 LEU 98 HD12 LEU 98 0.876 18.116 -9.984 803 HD13 LEU 98 HD13 LEU 98 0.340 17.676 -11.623 804 HD21 LEU 98 HD21 LEU 98 -0.301 17.589 -8.313 805 HD22 LEU 98 HD22 LEU 98 -1.512 18.894 -8.288 806 HD23 LEU 98 HD23 LEU 98 -2.037 17.195 -8.347 807 H LEU 99 H LEU 99 -4.510 17.975 -14.045 808 HA LEU 99 HA LEU 99 -4.095 20.203 -15.468 809 HB2 LEU 99 HB2 LEU 99 -5.599 19.328 -16.835 810 HB3 LEU 99 HB3 LEU 99 -5.687 18.013 -15.680 811 HG LEU 99 HG LEU 99 -7.558 19.470 -14.558 812 HD11 LEU 99 HD11 LEU 99 -8.701 20.475 -16.875 813 HD12 LEU 99 HD12 LEU 99 -7.945 21.417 -15.568 814 HD13 LEU 99 HD13 LEU 99 -6.993 20.959 -17.000 815 HD21 LEU 99 HD21 LEU 99 -7.718 17.224 -15.766 816 HD22 LEU 99 HD22 LEU 99 -9.195 18.213 -15.674 817 HD23 LEU 99 HD23 LEU 99 -8.254 18.157 -17.184 Start of MODEL 20 1 H MET 1 H1 MET 1 -30.776 13.059 19.143 2 HA MET 1 HA MET 1 -32.006 10.584 18.998 3 HB2 MET 1 HB2 MET 1 -29.687 9.365 18.435 4 HB3 MET 1 HB3 MET 1 -30.744 9.875 17.133 5 HG2 MET 1 HG2 MET 1 -28.782 11.922 18.126 6 HG3 MET 1 HG3 MET 1 -28.106 10.557 17.259 7 HE1 MET 1 HE1 MET 1 -27.841 13.311 16.716 8 HE2 MET 1 HE2 MET 1 -27.822 13.248 14.938 9 HE3 MET 1 HE3 MET 1 -29.067 14.201 15.781 10 H ASP 2 H ASP 2 -31.723 9.523 20.963 11 HA ASP 2 HA ASP 2 -29.365 9.685 22.425 12 HB2 ASP 2 HB2 ASP 2 -31.140 11.930 22.749 13 HB3 ASP 2 HB3 ASP 2 -31.239 10.978 24.218 14 H LEU 3 H LEU 3 -32.943 9.889 23.144 15 HA LEU 3 HA LEU 3 -33.092 8.064 25.135 16 HB2 LEU 3 HB2 LEU 3 -34.850 9.513 23.591 17 HB3 LEU 3 HB3 LEU 3 -35.295 7.860 23.216 18 HG LEU 3 HG LEU 3 -34.976 8.670 26.089 19 HD11 LEU 3 HD11 LEU 3 -37.538 9.125 24.547 20 HD12 LEU 3 HD12 LEU 3 -37.189 9.529 26.245 21 HD13 LEU 3 HD13 LEU 3 -36.373 10.414 24.933 22 HD21 LEU 3 HD21 LEU 3 -36.184 6.458 24.553 23 HD22 LEU 3 HD22 LEU 3 -35.477 6.481 26.187 24 HD23 LEU 3 HD23 LEU 3 -37.147 7.044 25.931 25 H ILE 4 H ILE 4 -33.928 7.194 21.706 26 HA ILE 4 HA ILE 4 -33.967 4.512 22.003 27 HB ILE 4 HB ILE 4 -34.666 5.293 19.968 28 HG12 ILE 4 HG12 ILE 4 -32.012 4.486 18.892 29 HG13 ILE 4 HG13 ILE 4 -32.803 3.344 19.961 30 HG21 ILE 4 HG21 ILE 4 -32.640 6.570 18.585 31 HG22 ILE 4 HG22 ILE 4 -34.013 7.349 19.407 32 HG23 ILE 4 HG23 ILE 4 -32.454 7.177 20.248 33 HD11 ILE 4 HD11 ILE 4 -34.424 2.845 18.433 34 HD12 ILE 4 HD12 ILE 4 -34.636 4.550 17.967 35 HD13 ILE 4 HD13 ILE 4 -33.317 3.590 17.255 36 H GLY 5 H GLY 5 -31.128 5.674 20.176 37 HA2 GLY 5 HA2 GLY 5 -28.922 5.280 20.423 38 HA3 GLY 5 HA3 GLY 5 -29.191 4.941 22.121 39 H PHE 6 H PHE 6 -30.652 2.740 22.383 40 HA PHE 6 HA PHE 6 -28.963 0.672 21.713 41 HB2 PHE 6 HB2 PHE 6 -31.051 1.016 23.372 42 HB3 PHE 6 HB3 PHE 6 -31.989 0.387 22.032 43 HD1 PHE 6 HD2 PHE 6 -29.059 -0.441 24.175 44 HD2 PHE 6 HD1 PHE 6 -32.230 -1.912 21.768 45 HE1 PHE 6 HE2 PHE 6 -28.523 -2.784 24.900 46 HE2 PHE 6 HE1 PHE 6 -31.693 -4.254 22.493 47 HZ PHE 6 HZ PHE 6 -29.846 -4.662 24.050 48 H GLY 7 H GLY 7 -32.216 1.429 20.260 49 HA2 GLY 7 HA2 GLY 7 -32.279 -0.499 18.317 50 HA3 GLY 7 HA3 GLY 7 -33.010 1.088 18.182 51 H TYR 8 H TYR 8 -30.755 2.793 18.155 52 HA TYR 8 HA TYR 8 -30.027 2.737 15.498 53 HB2 TYR 8 HB2 TYR 8 -29.855 4.468 17.565 54 HB3 TYR 8 HB3 TYR 8 -28.255 3.782 17.763 55 HD1 TYR 8 HD2 TYR 8 -26.512 4.129 16.044 56 HD2 TYR 8 HD1 TYR 8 -30.377 5.931 15.697 57 HE1 TYR 8 HE2 TYR 8 -25.617 5.726 14.281 58 HE2 TYR 8 HE1 TYR 8 -29.468 7.522 13.934 59 HH TYR 8 HH TYR 8 -27.783 7.937 12.584 60 H ALA 9 H ALA 9 -28.211 1.540 18.398 61 HA ALA 9 HA ALA 9 -25.980 0.714 16.855 62 HB1 ALA 9 HB1 ALA 9 -25.904 -0.716 19.225 63 HB2 ALA 9 HB2 ALA 9 -25.249 0.922 18.986 64 HB3 ALA 9 HB3 ALA 9 -26.882 0.706 19.661 65 H ALA 10 H ALA 10 -29.142 -0.624 17.617 66 HA ALA 10 HA ALA 10 -28.503 -3.342 17.311 67 HB1 ALA 10 HB1 ALA 10 -30.636 -2.041 18.220 68 HB2 ALA 10 HB2 ALA 10 -31.183 -2.221 16.536 69 HB3 ALA 10 HB3 ALA 10 -30.790 -3.663 17.502 70 H LEU 11 H LEU 11 -30.070 -1.003 15.001 71 HA LEU 11 HA LEU 11 -29.940 -2.743 12.825 72 HB2 LEU 11 HB2 LEU 11 -30.632 -0.921 11.529 73 HB3 LEU 11 HB3 LEU 11 -31.390 -0.729 13.098 74 HG LEU 11 HG LEU 11 -29.238 0.803 13.531 75 HD11 LEU 11 HD11 LEU 11 -28.350 1.878 11.684 76 HD12 LEU 11 HD12 LEU 11 -28.495 0.197 11.116 77 HD13 LEU 11 HD13 LEU 11 -29.702 1.410 10.625 78 HD21 LEU 11 HD21 LEU 11 -30.630 2.648 13.331 79 HD22 LEU 11 HD22 LEU 11 -31.484 1.985 11.917 80 HD23 LEU 11 HD23 LEU 11 -31.780 1.305 13.535 81 H VAL 12 H VAL 12 -27.658 -0.260 14.088 82 HA VAL 12 HA VAL 12 -25.890 -0.217 11.983 83 HB VAL 12 HB VAL 12 -25.689 0.192 14.942 84 HG11 VAL 12 HG11 VAL 12 -23.433 -0.337 13.111 85 HG12 VAL 12 HG12 VAL 12 -23.285 1.160 14.063 86 HG13 VAL 12 HG13 VAL 12 -23.513 -0.401 14.888 87 HG21 VAL 12 HG21 VAL 12 -24.786 2.281 13.076 88 HG22 VAL 12 HG22 VAL 12 -26.483 1.794 12.851 89 HG23 VAL 12 HG23 VAL 12 -25.926 2.371 14.440 90 H THR 13 H THR 13 -25.904 -2.404 14.883 91 HA THR 13 HA THR 13 -23.682 -3.906 14.051 92 HB THR 13 HB THR 13 -26.036 -4.406 15.937 93 HG1 THR 13 HG1 THR 13 -24.273 -3.860 17.420 94 HG21 THR 13 HG21 THR 13 -23.702 -6.153 15.160 95 HG22 THR 13 HG22 THR 13 -24.080 -6.014 16.894 96 HG23 THR 13 HG23 THR 13 -25.310 -6.624 15.761 97 H PHE 14 H PHE 14 -27.156 -4.106 13.268 98 HA PHE 14 HA PHE 14 -27.105 -6.674 12.192 99 HB2 PHE 14 HB2 PHE 14 -29.022 -4.924 12.768 100 HB3 PHE 14 HB3 PHE 14 -28.722 -4.281 11.166 101 HD1 PHE 14 HD2 PHE 14 -29.812 -7.295 13.006 102 HD2 PHE 14 HD1 PHE 14 -29.581 -5.358 9.237 103 HE1 PHE 14 HE2 PHE 14 -31.359 -9.014 12.028 104 HE2 PHE 14 HE1 PHE 14 -31.127 -7.077 8.259 105 HZ PHE 14 HZ PHE 14 -31.998 -8.884 9.666 106 H GLY 15 H GLY 15 -26.757 -3.430 10.590 107 HA2 GLY 15 HA2 GLY 15 -26.305 -4.515 8.006 108 HA3 GLY 15 HA3 GLY 15 -26.014 -2.871 8.537 109 H SER 16 H SER 16 -24.277 -3.963 10.857 110 HA SER 16 HA SER 16 -21.860 -3.770 9.443 111 HB2 SER 16 HB2 SER 16 -22.736 -3.576 12.142 112 HB3 SER 16 HB3 SER 16 -21.544 -4.860 12.129 113 HG SER 16 HG SER 16 -20.278 -3.161 10.730 114 H ILE 17 H ILE 17 -23.548 -6.452 11.215 115 HA ILE 17 HA ILE 17 -21.562 -8.366 10.581 116 HB ILE 17 HB ILE 17 -24.424 -8.686 11.493 117 HG12 ILE 17 HG12 ILE 17 -22.818 -7.328 12.946 118 HG13 ILE 17 HG13 ILE 17 -23.657 -8.668 13.701 119 HG21 ILE 17 HG21 ILE 17 -23.664 -10.744 10.497 120 HG22 ILE 17 HG22 ILE 17 -22.136 -10.670 11.407 121 HG23 ILE 17 HG23 ILE 17 -23.674 -10.921 12.269 122 HD11 ILE 17 HD11 ILE 17 -21.678 -10.114 13.452 123 HD12 ILE 17 HD12 ILE 17 -20.827 -8.827 12.565 124 HD13 ILE 17 HD13 ILE 17 -21.223 -8.609 14.286 125 H PHE 18 H PHE 18 -24.931 -7.809 9.331 126 HA PHE 18 HA PHE 18 -24.862 -9.722 7.364 127 HB2 PHE 18 HB2 PHE 18 -26.694 -8.022 8.294 128 HB3 PHE 18 HB3 PHE 18 -26.090 -6.932 7.062 129 HD1 PHE 18 HD2 PHE 18 -27.194 -10.496 7.321 130 HD2 PHE 18 HD1 PHE 18 -27.233 -6.900 5.069 131 HE1 PHE 18 HE2 PHE 18 -28.704 -11.572 5.629 132 HE2 PHE 18 HE1 PHE 18 -28.742 -7.976 3.376 133 HZ PHE 18 HZ PHE 18 -29.460 -10.299 3.677 134 H GLY 19 H GLY 19 -23.590 -6.360 7.353 135 HA2 GLY 19 HA2 GLY 19 -23.079 -6.184 4.588 136 HA3 GLY 19 HA3 GLY 19 -22.337 -5.236 5.862 137 H TYR 20 H TYR 20 -20.522 -6.300 7.143 138 HA TYR 20 HA TYR 20 -18.428 -7.069 7.014 139 HB2 TYR 20 HB2 TYR 20 -20.458 -9.143 6.820 140 HB3 TYR 20 HB3 TYR 20 -19.120 -9.654 5.811 141 HD1 TYR 20 HD1 TYR 20 -19.811 -8.348 9.257 142 HD2 TYR 20 HD2 TYR 20 -17.334 -10.803 6.778 143 HE1 TYR 20 HE1 TYR 20 -18.572 -9.187 11.313 144 HE2 TYR 20 HE2 TYR 20 -16.104 -11.633 8.842 145 HH TYR 20 HH TYR 20 -16.055 -10.160 11.624 146 H LYS 21 H LYS 21 -17.445 -5.789 5.392 147 HA LYS 21 HA LYS 21 -17.781 -6.178 2.668 148 HB2 LYS 21 HB2 LYS 21 -16.560 -4.327 4.179 149 HB3 LYS 21 HB3 LYS 21 -15.144 -5.238 3.697 150 HG2 LYS 21 HG2 LYS 21 -15.791 -5.007 1.301 151 HG3 LYS 21 HG3 LYS 21 -17.240 -4.137 1.764 152 HD2 LYS 21 HD2 LYS 21 -15.125 -2.784 3.088 153 HD3 LYS 21 HD3 LYS 21 -14.497 -3.144 1.492 154 HE2 LYS 21 HE2 LYS 21 -16.680 -2.185 0.531 155 HE3 LYS 21 HE3 LYS 21 -17.071 -1.641 2.151 156 HZ1 LYS 21 HZ1 LYS 21 -14.435 -0.946 1.288 157 HZ2 LYS 21 HZ2 LYS 21 -15.623 -0.256 0.405 158 HZ3 LYS 21 HZ3 LYS 21 -15.569 -0.026 2.021 159 H ARG 22 H ARG 22 -16.939 -7.575 1.167 160 HA ARG 22 HA ARG 22 -14.735 -9.224 2.002 161 HB2 ARG 22 HB2 ARG 22 -16.814 -10.494 2.631 162 HB3 ARG 22 HB3 ARG 22 -17.366 -10.400 0.971 163 HG2 ARG 22 HG2 ARG 22 -16.171 -12.255 0.463 164 HG3 ARG 22 HG3 ARG 22 -14.688 -11.418 0.879 165 HD2 ARG 22 HD2 ARG 22 -15.607 -12.003 3.396 166 HD3 ARG 22 HD3 ARG 22 -16.301 -13.346 2.509 167 HE ARG 22 HE ARG 22 -13.570 -13.048 1.701 168 HH11 ARG 22 HH22 ARG 22 -15.464 -14.037 4.498 169 HH12 ARG 22 HH21 ARG 22 -14.242 -15.101 5.109 170 HH21 ARG 22 HH12 ARG 22 -11.958 -14.452 2.508 171 HH22 ARG 22 HH11 ARG 22 -12.234 -15.339 3.970 172 H ARG 23 H ARG 23 -13.686 -7.831 0.345 173 HA ARG 23 HA ARG 23 -14.699 -8.019 -2.309 174 HB2 ARG 23 HB2 ARG 23 -12.998 -6.249 -0.886 175 HB3 ARG 23 HB3 ARG 23 -11.951 -6.995 -2.077 176 HG2 ARG 23 HG2 ARG 23 -14.426 -6.373 -3.403 177 HG3 ARG 23 HG3 ARG 23 -13.972 -4.958 -2.474 178 HD2 ARG 23 HD2 ARG 23 -12.670 -4.488 -4.312 179 HD3 ARG 23 HD3 ARG 23 -11.535 -5.580 -3.545 180 HE ARG 23 HE ARG 23 -11.935 -7.138 -5.241 181 HH11 ARG 23 HH22 ARG 23 -14.578 -4.817 -5.180 182 HH12 ARG 23 HH21 ARG 23 -15.326 -5.437 -6.614 183 HH21 ARG 23 HH12 ARG 23 -12.921 -7.957 -7.133 184 HH22 ARG 23 HH11 ARG 23 -14.377 -7.235 -7.733 185 H GLY 24 H GLY 24 -11.618 -8.957 -0.602 186 HA2 GLY 24 HA2 GLY 24 -10.506 -10.966 -0.820 187 HA3 GLY 24 HA3 GLY 24 -11.464 -11.370 -2.230 188 H GLY 25 H GLY 25 -9.451 -11.976 -3.331 189 HA2 GLY 25 HA2 GLY 25 -8.517 -10.277 -5.197 190 HA3 GLY 25 HA3 GLY 25 -7.487 -9.909 -3.828 191 H VAL 26 H VAL 26 -8.690 -12.627 -5.885 192 HA VAL 26 HA VAL 26 -6.711 -14.435 -4.922 193 HB VAL 26 HB VAL 26 -8.981 -14.411 -6.760 194 HG11 VAL 26 HG11 VAL 26 -7.549 -14.918 -8.541 195 HG12 VAL 26 HG12 VAL 26 -6.460 -15.886 -7.519 196 HG13 VAL 26 HG13 VAL 26 -8.065 -16.518 -7.955 197 HG21 VAL 26 HG21 VAL 26 -8.509 -15.603 -4.440 198 HG22 VAL 26 HG22 VAL 26 -9.544 -16.359 -5.675 199 HG23 VAL 26 HG23 VAL 26 -7.852 -16.880 -5.492 200 HA PRO 27 HA PRO 27 -4.657 -13.197 -8.998 201 HB2 PRO 27 HB2 PRO 27 -5.612 -11.075 -10.432 202 HB3 PRO 27 HB3 PRO 27 -6.044 -12.738 -10.778 203 HG2 PRO 27 HG2 PRO 27 -7.659 -10.639 -9.466 204 HG3 PRO 27 HG3 PRO 27 -8.193 -12.140 -10.195 205 HD2 PRO 27 HD2 PRO 27 -7.922 -11.594 -7.392 206 HD3 PRO 27 HD3 PRO 27 -8.345 -13.129 -8.125 207 H SER 28 H SER 28 -3.407 -11.105 -10.008 208 HA SER 28 HA SER 28 -2.612 -9.768 -7.552 209 HB2 SER 28 HB2 SER 28 -1.178 -10.480 -10.115 210 HB3 SER 28 HB3 SER 28 -0.584 -9.140 -9.154 211 HG SER 28 HG SER 28 -0.481 -11.898 -8.647 212 H LEU 29 H LEU 29 -3.760 -9.318 -10.903 213 HA LEU 29 HA LEU 29 -3.249 -6.689 -11.343 214 HB2 LEU 29 HB2 LEU 29 -5.537 -6.776 -12.554 215 HB3 LEU 29 HB3 LEU 29 -4.196 -7.755 -13.114 216 HG LEU 29 HG LEU 29 -5.838 -9.183 -11.168 217 HD11 LEU 29 HD11 LEU 29 -7.906 -9.216 -12.135 218 HD12 LEU 29 HD12 LEU 29 -7.443 -7.531 -12.473 219 HD13 LEU 29 HD13 LEU 29 -7.290 -8.768 -13.744 220 HD21 LEU 29 HD21 LEU 29 -4.122 -9.793 -13.236 221 HD22 LEU 29 HD22 LEU 29 -5.184 -10.938 -12.381 222 HD23 LEU 29 HD23 LEU 29 -5.719 -10.200 -13.909 223 H ILE 30 H ILE 30 -6.035 -8.089 -9.493 224 HA ILE 30 HA ILE 30 -7.176 -5.620 -8.863 225 HB ILE 30 HB ILE 30 -8.312 -7.791 -8.754 226 HG12 ILE 30 HG12 ILE 30 -9.665 -7.306 -6.835 227 HG13 ILE 30 HG13 ILE 30 -8.368 -6.423 -6.054 228 HG21 ILE 30 HG21 ILE 30 -6.692 -8.270 -6.238 229 HG22 ILE 30 HG22 ILE 30 -7.978 -9.310 -6.895 230 HG23 ILE 30 HG23 ILE 30 -6.456 -9.101 -7.794 231 HD11 ILE 30 HD11 ILE 30 -10.234 -5.073 -7.307 232 HD12 ILE 30 HD12 ILE 30 -8.537 -4.586 -7.534 233 HD13 ILE 30 HD13 ILE 30 -9.361 -5.549 -8.783 234 H ALA 31 H ALA 31 -4.410 -7.397 -7.554 235 HA ALA 31 HA ALA 31 -4.300 -6.110 -5.062 236 HB1 ALA 31 HB1 ALA 31 -2.925 -8.124 -6.433 237 HB2 ALA 31 HB2 ALA 31 -1.708 -6.845 -6.205 238 HB3 ALA 31 HB3 ALA 31 -2.563 -7.521 -4.798 239 H GLY 32 H GLY 32 -2.857 -5.378 -8.296 240 HA2 GLY 32 HA2 GLY 32 -1.357 -3.144 -7.472 241 HA3 GLY 32 HA3 GLY 32 -1.880 -3.521 -9.102 242 H LEU 33 H LEU 33 -4.569 -3.345 -9.184 243 HA LEU 33 HA LEU 33 -5.128 -0.699 -9.317 244 HB2 LEU 33 HB2 LEU 33 -6.460 -2.435 -10.345 245 HB3 LEU 33 HB3 LEU 33 -6.995 -3.010 -8.778 246 HG LEU 33 HG LEU 33 -7.684 -0.266 -8.879 247 HD11 LEU 33 HD11 LEU 33 -9.304 -0.604 -10.957 248 HD12 LEU 33 HD12 LEU 33 -7.669 0.079 -11.131 249 HD13 LEU 33 HD13 LEU 33 -7.963 -1.634 -11.515 250 HD21 LEU 33 HD21 LEU 33 -10.050 -1.459 -9.179 251 HD22 LEU 33 HD22 LEU 33 -9.079 -2.896 -8.779 252 HD23 LEU 33 HD23 LEU 33 -9.133 -1.517 -7.655 253 H PHE 34 H PHE 34 -5.897 -2.911 -6.542 254 HA PHE 34 HA PHE 34 -7.068 -1.040 -4.918 255 HB2 PHE 34 HB2 PHE 34 -6.688 -3.627 -4.708 256 HB3 PHE 34 HB3 PHE 34 -5.097 -3.243 -4.080 257 HD1 PHE 34 HD1 PHE 34 -8.533 -1.901 -3.450 258 HD2 PHE 34 HD2 PHE 34 -4.987 -3.554 -1.808 259 HE1 PHE 34 HE1 PHE 34 -9.497 -1.677 -1.144 260 HE2 PHE 34 HE2 PHE 34 -5.951 -3.331 0.499 261 HZ PHE 34 HZ PHE 34 -8.194 -2.395 0.803 262 H VAL 35 H VAL 35 -3.574 -2.067 -4.920 263 HA VAL 35 HA VAL 35 -2.673 -0.370 -2.988 264 HB VAL 35 HB VAL 35 -1.505 -1.637 -5.422 265 HG11 VAL 35 HG11 VAL 35 -0.146 0.187 -5.660 266 HG12 VAL 35 HG12 VAL 35 -0.318 0.681 -3.959 267 HG13 VAL 35 HG13 VAL 35 0.761 -0.668 -4.389 268 HG21 VAL 35 HG21 VAL 35 -1.374 -3.194 -3.785 269 HG22 VAL 35 HG22 VAL 35 0.086 -2.290 -3.317 270 HG23 VAL 35 HG23 VAL 35 -1.455 -1.986 -2.480 271 H GLY 36 H GLY 36 -3.533 0.330 -6.385 272 HA2 GLY 36 HA2 GLY 36 -2.380 2.929 -6.457 273 HA3 GLY 36 HA3 GLY 36 -3.565 2.255 -7.559 274 H CYS 37 H CYS 37 -5.595 1.577 -5.545 275 HA CYS 37 HA CYS 37 -6.947 4.008 -5.489 276 HB2 CYS 37 HB2 CYS 37 -7.621 1.357 -5.109 277 HB3 CYS 37 HB3 CYS 37 -7.838 2.025 -3.504 278 HG CYS 37 HG CYS 37 -9.839 3.241 -3.877 279 H LEU 38 H LEU 38 -5.034 2.163 -3.039 280 HA LEU 38 HA LEU 38 -5.571 3.991 -0.940 281 HB2 LEU 38 HB2 LEU 38 -3.134 2.327 -0.833 282 HB3 LEU 38 HB3 LEU 38 -4.396 2.573 0.358 283 HG LEU 38 HG LEU 38 -4.375 0.670 -1.983 284 HD11 LEU 38 HD11 LEU 38 -3.969 -0.903 -0.468 285 HD12 LEU 38 HD12 LEU 38 -3.694 0.401 0.712 286 HD13 LEU 38 HD13 LEU 38 -5.303 -0.345 0.570 287 HD21 LEU 38 HD21 LEU 38 -6.793 0.238 -0.733 288 HD22 LEU 38 HD22 LEU 38 -6.687 2.014 -0.794 289 HD23 LEU 38 HD23 LEU 38 -6.550 1.062 -2.292 290 H ALA 39 H ALA 39 -3.143 3.719 -3.535 291 HA ALA 39 HA ALA 39 -1.281 5.511 -2.463 292 HB1 ALA 39 HB1 ALA 39 -0.568 5.694 -4.881 293 HB2 ALA 39 HB2 ALA 39 -0.707 4.025 -4.279 294 HB3 ALA 39 HB3 ALA 39 -1.985 4.707 -5.312 295 H GLY 40 H GLY 40 -3.965 6.011 -4.866 296 HA2 GLY 40 HA2 GLY 40 -3.631 8.816 -4.996 297 HA3 GLY 40 HA3 GLY 40 -5.017 7.887 -5.529 298 H TYR 41 H TYR 41 -6.443 6.959 -3.631 299 HA TYR 41 HA TYR 41 -7.611 9.017 -2.295 300 HB2 TYR 41 HB2 TYR 41 -8.144 6.429 -2.671 301 HB3 TYR 41 HB3 TYR 41 -7.266 6.182 -1.175 302 HD1 TYR 41 HD2 TYR 41 -10.092 8.234 -2.548 303 HD2 TYR 41 HD1 TYR 41 -8.443 6.199 0.835 304 HE1 TYR 41 HE2 TYR 41 -12.207 8.711 -1.220 305 HE2 TYR 41 HE1 TYR 41 -10.564 6.683 2.151 306 HH TYR 41 HH TYR 41 -13.216 8.535 0.676 307 H GLY 42 H GLY 42 -4.796 7.040 -1.289 308 HA2 GLY 42 HA2 GLY 42 -4.742 7.856 1.412 309 HA3 GLY 42 HA3 GLY 42 -3.416 7.188 0.481 310 H ALA 43 H ALA 43 -2.291 8.733 -1.109 311 HA ALA 43 HA ALA 43 -1.177 10.831 0.161 312 HB1 ALA 43 HB1 ALA 43 -0.038 10.923 -1.775 313 HB2 ALA 43 HB2 ALA 43 -1.157 9.699 -2.421 314 HB3 ALA 43 HB3 ALA 43 -1.492 11.430 -2.668 315 H TYR 44 H TYR 44 -3.818 11.187 -2.320 316 HA TYR 44 HA TYR 44 -5.399 12.720 -2.567 317 HB2 TYR 44 HB2 TYR 44 -5.355 11.898 0.124 318 HB3 TYR 44 HB3 TYR 44 -5.226 13.638 0.292 319 HD1 TYR 44 HD1 TYR 44 -7.178 11.541 -2.134 320 HD2 TYR 44 HD2 TYR 44 -7.290 14.430 1.020 321 HE1 TYR 44 HE1 TYR 44 -9.695 11.759 -2.413 322 HE2 TYR 44 HE2 TYR 44 -9.807 14.638 0.730 323 HH TYR 44 HH TYR 44 -11.637 12.469 -0.730 324 H ARG 45 H ARG 45 -2.544 13.514 -2.823 325 HA ARG 45 HA ARG 45 -2.938 16.187 -3.241 326 HB2 ARG 45 HB2 ARG 45 -2.840 16.141 -0.638 327 HB3 ARG 45 HB3 ARG 45 -1.137 15.765 -0.814 328 HG2 ARG 45 HG2 ARG 45 -1.086 18.107 -0.658 329 HG3 ARG 45 HG3 ARG 45 -1.068 17.872 -2.394 330 HD2 ARG 45 HD2 ARG 45 -3.777 17.913 -1.960 331 HD3 ARG 45 HD3 ARG 45 -3.250 18.946 -0.646 332 HE ARG 45 HE ARG 45 -3.058 19.532 -3.522 333 HH11 ARG 45 HH22 ARG 45 -1.925 20.366 -0.297 334 HH12 ARG 45 HH21 ARG 45 -1.417 21.959 -0.749 335 HH21 ARG 45 HH12 ARG 45 -2.388 21.633 -4.119 336 HH22 ARG 45 HH11 ARG 45 -1.682 22.685 -2.938 337 H VAL 46 H VAL 46 -0.738 13.492 -2.432 338 HA VAL 46 HA VAL 46 1.031 12.713 -3.534 339 HB VAL 46 HB VAL 46 -0.156 14.430 -5.436 340 HG11 VAL 46 HG11 VAL 46 1.706 15.339 -6.674 341 HG12 VAL 46 HG12 VAL 46 1.776 15.957 -5.006 342 HG13 VAL 46 HG13 VAL 46 2.871 14.650 -5.517 343 HG21 VAL 46 HG21 VAL 46 0.287 12.690 -6.799 344 HG22 VAL 46 HG22 VAL 46 2.019 12.677 -6.385 345 HG23 VAL 46 HG23 VAL 46 0.842 11.880 -5.314 346 H SER 47 H SER 47 0.712 15.546 -1.804 347 HA SER 47 HA SER 47 3.592 15.991 -1.840 348 HB2 SER 47 HB2 SER 47 2.257 17.982 -2.434 349 HB3 SER 47 HB3 SER 47 1.326 17.832 -0.957 350 HG SER 47 HG SER 47 2.839 18.952 0.043 351 H ASN 48 H ASN 48 4.765 15.822 0.111 352 HA ASN 48 HA ASN 48 4.017 16.064 2.600 353 HB2 ASN 48 HB2 ASN 48 2.734 13.616 1.495 354 HB3 ASN 48 HB3 ASN 48 3.640 13.312 2.964 355 HD21 ASN 48 HD21 ASN 48 0.829 13.138 2.635 356 HD22 ASN 48 HD22 ASN 48 0.068 14.287 3.684 357 H ASP 49 H ASP 49 5.120 13.143 0.701 358 HA ASP 49 HA ASP 49 7.808 13.654 1.531 359 HB2 ASP 49 HB2 ASP 49 6.485 12.116 3.269 360 HB3 ASP 49 HB3 ASP 49 6.744 10.871 2.063 361 H LYS 50 H LYS 50 5.390 11.396 0.045 362 HA LYS 50 HA LYS 50 7.372 10.476 -1.863 363 HB2 LYS 50 HB2 LYS 50 4.662 9.590 -0.971 364 HB3 LYS 50 HB3 LYS 50 5.152 9.185 -2.604 365 HG2 LYS 50 HG2 LYS 50 6.361 7.463 -1.763 366 HG3 LYS 50 HG3 LYS 50 7.431 8.629 -1.011 367 HD2 LYS 50 HD2 LYS 50 5.307 8.651 0.759 368 HD3 LYS 50 HD3 LYS 50 5.261 6.989 0.207 369 HE2 LYS 50 HE2 LYS 50 7.948 7.229 0.620 370 HE3 LYS 50 HE3 LYS 50 7.382 8.410 1.785 371 HZ1 LYS 50 HZ1 LYS 50 5.738 6.430 2.297 372 HZ2 LYS 50 HZ2 LYS 50 7.010 5.556 1.764 373 HZ3 LYS 50 HZ3 LYS 50 7.192 6.574 3.027 374 H ARG 51 H ARG 51 7.504 11.122 -3.978 375 HA ARG 51 HA ARG 51 6.317 13.519 -4.656 376 HB2 ARG 51 HB2 ARG 51 7.499 11.402 -6.525 377 HB3 ARG 51 HB3 ARG 51 7.272 13.094 -6.922 378 HG2 ARG 51 HG2 ARG 51 9.020 13.809 -5.535 379 HG3 ARG 51 HG3 ARG 51 8.857 12.449 -4.441 380 HD2 ARG 51 HD2 ARG 51 10.931 12.246 -5.788 381 HD3 ARG 51 HD3 ARG 51 9.835 10.925 -6.141 382 HE ARG 51 HE ARG 51 9.111 12.740 -8.053 383 HH11 ARG 51 HH22 ARG 51 12.263 11.548 -7.037 384 HH12 ARG 51 HH21 ARG 51 12.986 11.756 -8.597 385 HH21 ARG 51 HH12 ARG 51 10.065 13.015 -10.111 386 HH22 ARG 51 HH11 ARG 51 11.728 12.596 -10.357 387 H ASP 52 H ASP 52 5.881 10.336 -6.381 388 HA ASP 52 HA ASP 52 3.074 10.534 -6.229 389 HB2 ASP 52 HB2 ASP 52 3.258 10.411 -9.002 390 HB3 ASP 52 HB3 ASP 52 2.741 11.810 -8.082 391 H VAL 53 H VAL 53 5.943 9.330 -8.105 392 HA VAL 53 HA VAL 53 4.664 6.739 -8.424 393 HB VAL 53 HB VAL 53 7.065 8.128 -9.562 394 HG11 VAL 53 HG11 VAL 53 7.976 5.980 -8.997 395 HG12 VAL 53 HG12 VAL 53 6.535 5.141 -9.620 396 HG13 VAL 53 HG13 VAL 53 7.631 5.981 -10.743 397 HG21 VAL 53 HG21 VAL 53 5.941 7.224 -11.696 398 HG22 VAL 53 HG22 VAL 53 4.547 6.862 -10.651 399 HG23 VAL 53 HG23 VAL 53 5.121 8.538 -10.819 400 H LYS 54 H LYS 54 6.639 8.431 -6.190 401 HA LYS 54 HA LYS 54 8.390 6.384 -5.419 402 HB2 LYS 54 HB2 LYS 54 7.510 9.011 -4.401 403 HB3 LYS 54 HB3 LYS 54 8.028 7.891 -3.157 404 HG2 LYS 54 HG2 LYS 54 9.824 7.837 -5.494 405 HG3 LYS 54 HG3 LYS 54 9.700 9.444 -4.807 406 HD2 LYS 54 HD2 LYS 54 9.963 7.999 -2.503 407 HD3 LYS 54 HD3 LYS 54 10.830 6.943 -3.601 408 HE2 LYS 54 HE2 LYS 54 12.557 8.445 -3.909 409 HE3 LYS 54 HE3 LYS 54 11.496 9.839 -3.877 410 HZ1 LYS 54 HZ1 LYS 54 12.737 9.914 -1.928 411 HZ2 LYS 54 HZ2 LYS 54 11.275 9.374 -1.442 412 HZ3 LYS 54 HZ3 LYS 54 12.523 8.332 -1.586 413 H VAL 55 H VAL 55 5.087 7.337 -4.298 414 HA VAL 55 HA VAL 55 4.995 5.284 -2.339 415 HB VAL 55 HB VAL 55 3.740 7.403 -2.239 416 HG11 VAL 55 HG11 VAL 55 3.185 7.430 -4.713 417 HG12 VAL 55 HG12 VAL 55 1.909 6.241 -4.357 418 HG13 VAL 55 HG13 VAL 55 1.849 7.859 -3.617 419 HG21 VAL 55 HG21 VAL 55 1.685 6.476 -1.353 420 HG22 VAL 55 HG22 VAL 55 1.918 4.974 -2.280 421 HG23 VAL 55 HG23 VAL 55 3.036 5.386 -0.958 422 H SER 56 H SER 56 4.101 5.601 -5.786 423 HA SER 56 HA SER 56 2.458 3.442 -6.009 424 HB2 SER 56 HB2 SER 56 3.512 5.269 -7.739 425 HB3 SER 56 HB3 SER 56 4.442 3.861 -8.210 426 HG SER 56 HG SER 56 1.628 3.529 -7.885 427 H LEU 57 H LEU 57 6.054 3.545 -6.601 428 HA LEU 57 HA LEU 57 6.248 0.735 -6.823 429 HB2 LEU 57 HB2 LEU 57 7.777 2.316 -7.897 430 HB3 LEU 57 HB3 LEU 57 8.357 2.841 -6.328 431 HG LEU 57 HG LEU 57 9.949 1.336 -7.349 432 HD11 LEU 57 HD11 LEU 57 10.445 0.101 -5.483 433 HD12 LEU 57 HD12 LEU 57 9.282 1.265 -4.803 434 HD13 LEU 57 HD13 LEU 57 8.755 -0.385 -5.212 435 HD21 LEU 57 HD21 LEU 57 9.416 -0.465 -8.538 436 HD22 LEU 57 HD22 LEU 57 8.461 -1.150 -7.201 437 HD23 LEU 57 HD23 LEU 57 7.708 -0.004 -8.336 438 H PHE 58 H PHE 58 7.495 2.992 -4.255 439 HA PHE 58 HA PHE 58 8.339 1.283 -2.423 440 HB2 PHE 58 HB2 PHE 58 8.114 3.806 -2.254 441 HB3 PHE 58 HB3 PHE 58 6.387 3.630 -2.019 442 HD1 PHE 58 HD1 PHE 58 5.573 2.422 0.064 443 HD2 PHE 58 HD2 PHE 58 9.592 3.691 -0.428 444 HE1 PHE 58 HE1 PHE 58 5.925 2.271 2.545 445 HE2 PHE 58 HE2 PHE 58 9.944 3.540 2.052 446 HZ PHE 58 HZ PHE 58 8.106 2.832 3.509 447 H THR 59 H THR 59 4.859 2.030 -3.055 448 HA THR 59 HA THR 59 3.902 0.410 -0.934 449 HB THR 59 HB THR 59 2.623 1.518 -3.488 450 HG1 THR 59 HG1 THR 59 2.692 2.247 -0.643 451 HG21 THR 59 HG21 THR 59 1.229 -0.314 -2.477 452 HG22 THR 59 HG22 THR 59 1.349 0.493 -0.895 453 HG23 THR 59 HG23 THR 59 0.485 1.285 -2.235 454 H ALA 60 H ALA 60 3.982 -0.138 -4.523 455 HA ALA 60 HA ALA 60 2.989 -2.657 -4.566 456 HB1 ALA 60 HB1 ALA 60 4.159 -0.938 -6.354 457 HB2 ALA 60 HB2 ALA 60 5.372 -2.238 -6.279 458 HB3 ALA 60 HB3 ALA 60 3.691 -2.614 -6.728 459 H PHE 61 H PHE 61 6.321 -1.604 -3.690 460 HA PHE 61 HA PHE 61 7.289 -4.259 -3.449 461 HB2 PHE 61 HB2 PHE 61 8.108 -1.414 -2.972 462 HB3 PHE 61 HB3 PHE 61 8.882 -2.550 -1.884 463 HD1 PHE 61 HD2 PHE 61 7.990 -2.747 -5.509 464 HD2 PHE 61 HD1 PHE 61 11.049 -2.911 -2.573 465 HE1 PHE 61 HE2 PHE 61 9.668 -3.309 -7.289 466 HE2 PHE 61 HE1 PHE 61 12.727 -3.473 -4.353 467 HZ PHE 61 HZ PHE 61 12.017 -3.664 -6.690 468 H PHE 62 H PHE 62 5.734 -1.890 -1.270 469 HA PHE 62 HA PHE 62 6.441 -3.150 1.131 470 HB2 PHE 62 HB2 PHE 62 5.260 -0.814 0.364 471 HB3 PHE 62 HB3 PHE 62 3.794 -1.724 0.668 472 HD1 PHE 62 HD2 PHE 62 5.270 -3.351 2.982 473 HD2 PHE 62 HD1 PHE 62 4.665 0.763 2.136 474 HE1 PHE 62 HE2 PHE 62 5.450 -2.821 5.429 475 HE2 PHE 62 HE1 PHE 62 4.845 1.293 4.583 476 HZ PHE 62 HZ PHE 62 5.235 -0.505 6.200 477 H LEU 63 H LEU 63 3.457 -3.345 -0.930 478 HA LEU 63 HA LEU 63 2.189 -5.219 0.743 479 HB2 LEU 63 HB2 LEU 63 1.677 -3.805 -1.713 480 HB3 LEU 63 HB3 LEU 63 1.222 -5.488 -1.891 481 HG LEU 63 HG LEU 63 -0.671 -4.140 -1.178 482 HD11 LEU 63 HD11 LEU 63 -1.348 -6.023 -0.221 483 HD12 LEU 63 HD12 LEU 63 0.320 -6.456 0.226 484 HD13 LEU 63 HD13 LEU 63 -0.659 -5.442 1.314 485 HD21 LEU 63 HD21 LEU 63 -0.667 -3.176 1.160 486 HD22 LEU 63 HD22 LEU 63 1.100 -3.383 1.152 487 HD23 LEU 63 HD23 LEU 63 0.324 -2.316 -0.042 488 H ALA 64 H ALA 64 4.322 -5.486 -2.145 489 HA ALA 64 HA ALA 64 4.032 -8.204 -2.573 490 HB1 ALA 64 HB1 ALA 64 5.210 -7.243 -4.276 491 HB2 ALA 64 HB2 ALA 64 6.006 -6.068 -3.202 492 HB3 ALA 64 HB3 ALA 64 6.612 -7.739 -3.298 493 H THR 65 H THR 65 6.226 -6.380 -0.355 494 HA THR 65 HA THR 65 7.502 -8.757 0.584 495 HB THR 65 HB THR 65 8.097 -6.071 0.541 496 HG1 THR 65 HG1 THR 65 8.864 -8.126 2.495 497 HG21 THR 65 HG21 THR 65 7.988 -5.119 2.708 498 HG22 THR 65 HG22 THR 65 6.393 -5.898 2.576 499 HG23 THR 65 HG23 THR 65 7.700 -6.694 3.486 500 H ILE 66 H ILE 66 4.645 -6.851 1.519 501 HA ILE 66 HA ILE 66 4.377 -7.908 4.092 502 HB ILE 66 HB ILE 66 2.522 -6.627 2.116 503 HG12 ILE 66 HG12 ILE 66 3.194 -5.661 4.884 504 HG13 ILE 66 HG13 ILE 66 4.344 -5.445 3.579 505 HG21 ILE 66 HG21 ILE 66 0.770 -7.632 3.060 506 HG22 ILE 66 HG22 ILE 66 1.754 -8.302 4.383 507 HG23 ILE 66 HG23 ILE 66 1.122 -6.642 4.497 508 HD11 ILE 66 HD11 ILE 66 2.633 -3.537 3.995 509 HD12 ILE 66 HD12 ILE 66 2.851 -4.084 2.315 510 HD13 ILE 66 HD13 ILE 66 1.436 -4.624 3.249 511 H MET 67 H MET 67 2.652 -8.836 1.026 512 HA MET 67 HA MET 67 1.564 -11.126 2.193 513 HB2 MET 67 HB2 MET 67 1.894 -9.978 -0.586 514 HB3 MET 67 HB3 MET 67 1.460 -11.673 -0.480 515 HG2 MET 67 HG2 MET 67 -0.643 -11.231 0.414 516 HG3 MET 67 HG3 MET 67 -0.101 -9.804 1.275 517 HE1 MET 67 HE1 MET 67 -2.766 -9.941 -0.136 518 HE2 MET 67 HE2 MET 67 -2.258 -8.343 0.461 519 HE3 MET 67 HE3 MET 67 -2.878 -8.517 -1.198 520 H GLY 68 H GLY 68 4.205 -10.766 -0.292 521 HA2 GLY 68 HA2 GLY 68 6.250 -12.085 0.447 522 HA3 GLY 68 HA3 GLY 68 5.155 -13.453 0.476 523 H VAL 69 H VAL 69 5.304 -10.663 -1.835 524 HA VAL 69 HA VAL 69 5.276 -12.566 -4.017 525 HB VAL 69 HB VAL 69 4.958 -9.584 -3.754 526 HG11 VAL 69 HG11 VAL 69 5.971 -11.016 -6.051 527 HG12 VAL 69 HG12 VAL 69 4.380 -10.308 -6.419 528 HG13 VAL 69 HG13 VAL 69 5.702 -9.270 -5.833 529 HG21 VAL 69 HG21 VAL 69 3.157 -11.867 -4.601 530 HG22 VAL 69 HG22 VAL 69 2.963 -10.758 -3.222 531 HG23 VAL 69 HG23 VAL 69 2.753 -10.157 -4.884 532 H ARG 70 H ARG 70 7.316 -9.806 -2.831 533 HA ARG 70 HA ARG 70 9.316 -10.409 -4.730 534 HB2 ARG 70 HB2 ARG 70 8.670 -8.207 -3.147 535 HB3 ARG 70 HB3 ARG 70 10.113 -8.805 -2.352 536 HG2 ARG 70 HG2 ARG 70 11.049 -8.945 -4.858 537 HG3 ARG 70 HG3 ARG 70 9.792 -7.765 -5.172 538 HD2 ARG 70 HD2 ARG 70 10.741 -6.168 -3.664 539 HD3 ARG 70 HD3 ARG 70 11.711 -7.376 -2.846 540 HE ARG 70 HE ARG 70 12.352 -6.036 -5.382 541 HH11 ARG 70 HH22 ARG 70 13.030 -8.787 -3.297 542 HH12 ARG 70 HH21 ARG 70 14.596 -9.080 -3.977 543 HH21 ARG 70 HH12 ARG 70 14.417 -6.421 -6.280 544 HH22 ARG 70 HH11 ARG 70 15.390 -7.725 -5.685 545 H PHE 71 H PHE 71 11.452 -11.299 -4.305 546 HA PHE 71 HA PHE 71 12.133 -12.201 -1.699 547 HB2 PHE 71 HB2 PHE 71 10.333 -13.831 -2.870 548 HB3 PHE 71 HB3 PHE 71 11.707 -14.354 -3.824 549 HD1 PHE 71 HD2 PHE 71 10.575 -13.964 -0.302 550 HD2 PHE 71 HD1 PHE 71 13.142 -15.997 -3.001 551 HE1 PHE 71 HE2 PHE 71 11.239 -15.551 1.526 552 HE2 PHE 71 HE1 PHE 71 13.806 -17.585 -1.173 553 HZ PHE 71 HZ PHE 71 12.846 -17.343 1.068 554 H LYS 72 H LYS 72 12.592 -12.998 -5.222 555 HA LYS 72 HA LYS 72 15.330 -12.110 -5.011 556 HB2 LYS 72 HB2 LYS 72 14.920 -14.737 -4.440 557 HB3 LYS 72 HB3 LYS 72 15.111 -14.825 -6.179 558 HG2 LYS 72 HG2 LYS 72 17.161 -13.098 -5.533 559 HG3 LYS 72 HG3 LYS 72 17.107 -14.086 -4.087 560 HD2 LYS 72 HD2 LYS 72 17.099 -16.139 -5.683 561 HD3 LYS 72 HD3 LYS 72 17.529 -15.015 -6.957 562 HE2 LYS 72 HE2 LYS 72 19.305 -14.362 -4.869 563 HE3 LYS 72 HE3 LYS 72 19.203 -16.109 -4.792 564 HZ1 LYS 72 HZ1 LYS 72 19.643 -16.119 -7.199 565 HZ2 LYS 72 HZ2 LYS 72 19.892 -14.505 -7.153 566 HZ3 LYS 72 HZ3 LYS 72 20.879 -15.507 -6.323 567 H ARG 73 H ARG 73 15.575 -10.785 -6.720 568 HA ARG 73 HA ARG 73 13.793 -10.429 -8.670 569 HB2 ARG 73 HB2 ARG 73 15.813 -9.542 -10.047 570 HB3 ARG 73 HB3 ARG 73 15.553 -8.828 -8.468 571 HG2 ARG 73 HG2 ARG 73 17.221 -11.223 -8.239 572 HG3 ARG 73 HG3 ARG 73 17.910 -10.110 -9.404 573 HD2 ARG 73 HD2 ARG 73 17.799 -8.262 -7.733 574 HD3 ARG 73 HD3 ARG 73 17.059 -9.343 -6.569 575 HE ARG 73 HE ARG 73 19.158 -10.295 -6.141 576 HH11 ARG 73 HH22 ARG 73 19.303 -8.465 -9.144 577 HH12 ARG 73 HH21 ARG 73 21.020 -8.621 -9.305 578 HH21 ARG 73 HH12 ARG 73 21.424 -10.501 -6.354 579 HH22 ARG 73 HH11 ARG 73 22.235 -9.787 -7.708 580 H SER 74 H SER 74 12.902 -12.196 -9.781 581 HA SER 74 HA SER 74 14.443 -13.279 -11.853 582 HB2 SER 74 HB2 SER 74 14.449 -15.642 -11.197 583 HB3 SER 74 HB3 SER 74 15.329 -14.696 -10.013 584 HG SER 74 HG SER 74 13.384 -16.374 -9.483 585 H LYS 75 H LYS 75 12.893 -13.156 -13.434 586 HA LYS 75 HA LYS 75 11.008 -13.537 -14.530 587 HB2 LYS 75 HB2 LYS 75 11.180 -15.801 -13.276 588 HB3 LYS 75 HB3 LYS 75 9.903 -15.175 -12.253 589 HG2 LYS 75 HG2 LYS 75 8.313 -15.378 -13.891 590 HG3 LYS 75 HG3 LYS 75 9.376 -14.760 -15.138 591 HD2 LYS 75 HD2 LYS 75 10.610 -17.071 -14.935 592 HD3 LYS 75 HD3 LYS 75 9.170 -17.604 -14.090 593 HE2 LYS 75 HE2 LYS 75 8.412 -16.164 -16.514 594 HE3 LYS 75 HE3 LYS 75 9.557 -17.430 -16.911 595 HZ1 LYS 75 HZ1 LYS 75 7.064 -17.778 -15.396 596 HZ2 LYS 75 HZ2 LYS 75 7.354 -18.291 -16.919 597 HZ3 LYS 75 HZ3 LYS 75 8.152 -18.966 -15.665 598 H LYS 76 H LYS 76 9.916 -13.421 -11.063 599 HA LYS 76 HA LYS 76 8.649 -11.969 -9.983 600 HB2 LYS 76 HB2 LYS 76 10.263 -10.356 -11.615 601 HB3 LYS 76 HB3 LYS 76 8.645 -9.720 -11.826 602 HG2 LYS 76 HG2 LYS 76 8.388 -9.219 -9.529 603 HG3 LYS 76 HG3 LYS 76 9.596 -10.387 -9.032 604 HD2 LYS 76 HD2 LYS 76 11.032 -8.627 -8.889 605 HD3 LYS 76 HD3 LYS 76 11.086 -8.670 -10.640 606 HE2 LYS 76 HE2 LYS 76 9.006 -7.136 -10.614 607 HE3 LYS 76 HE3 LYS 76 9.278 -6.943 -8.893 608 HZ1 LYS 76 HZ1 LYS 76 10.580 -5.294 -9.594 609 HZ2 LYS 76 HZ2 LYS 76 11.695 -6.459 -9.850 610 HZ3 LYS 76 HZ3 LYS 76 10.794 -5.905 -11.094 611 H ILE 77 H ILE 77 7.185 -13.832 -11.008 612 HA ILE 77 HA ILE 77 5.174 -12.577 -12.723 613 HB ILE 77 HB ILE 77 6.267 -14.714 -13.411 614 HG12 ILE 77 HG12 ILE 77 3.507 -15.599 -13.216 615 HG13 ILE 77 HG13 ILE 77 3.589 -13.888 -13.588 616 HG21 ILE 77 HG21 ILE 77 4.618 -16.424 -11.739 617 HG22 ILE 77 HG22 ILE 77 6.356 -16.514 -12.109 618 HG23 ILE 77 HG23 ILE 77 5.782 -15.482 -10.777 619 HD11 ILE 77 HD11 ILE 77 5.517 -14.750 -15.284 620 HD12 ILE 77 HD12 ILE 77 4.537 -16.233 -15.197 621 HD13 ILE 77 HD13 ILE 77 3.796 -14.707 -15.738 622 H MET 78 H MET 78 5.850 -13.783 -9.479 623 HA MET 78 HA MET 78 3.389 -14.383 -8.561 624 HB2 MET 78 HB2 MET 78 5.966 -13.517 -7.491 625 HB3 MET 78 HB3 MET 78 4.689 -12.764 -6.557 626 HG2 MET 78 HG2 MET 78 3.620 -15.031 -6.242 627 HG3 MET 78 HG3 MET 78 4.956 -15.759 -7.112 628 HE1 MET 78 HE1 MET 78 4.516 -16.902 -4.190 629 HE2 MET 78 HE2 MET 78 5.708 -17.284 -5.455 630 HE3 MET 78 HE3 MET 78 6.252 -16.933 -3.797 631 HA PRO 79 HA PRO 79 2.558 -9.770 -7.829 632 HB2 PRO 79 HB2 PRO 79 4.242 -7.889 -8.878 633 HB3 PRO 79 HB3 PRO 79 4.358 -8.465 -7.227 634 HG2 PRO 79 HG2 PRO 79 6.081 -9.110 -9.541 635 HG3 PRO 79 HG3 PRO 79 6.413 -9.321 -7.833 636 HD2 PRO 79 HD2 PRO 79 5.680 -11.368 -9.704 637 HD3 PRO 79 HD3 PRO 79 5.898 -11.557 -7.975 638 H ALA 80 H ALA 80 4.200 -8.644 -10.668 639 HA ALA 80 HA ALA 80 3.486 -8.248 -12.728 640 HB1 ALA 80 HB1 ALA 80 2.078 -9.781 -13.795 641 HB2 ALA 80 HB2 ALA 80 2.704 -10.736 -12.429 642 HB3 ALA 80 HB3 ALA 80 1.075 -10.024 -12.345 643 H GLY 81 H GLY 81 0.480 -8.697 -10.721 644 HA2 GLY 81 HA2 GLY 81 -0.843 -6.478 -11.886 645 HA3 GLY 81 HA3 GLY 81 -1.307 -7.355 -10.442 646 H LEU 82 H LEU 82 1.162 -6.962 -8.925 647 HA LEU 82 HA LEU 82 0.569 -4.617 -7.625 648 HB2 LEU 82 HB2 LEU 82 2.426 -6.731 -7.422 649 HB3 LEU 82 HB3 LEU 82 3.363 -5.251 -7.384 650 HG LEU 82 HG LEU 82 2.026 -4.419 -5.503 651 HD11 LEU 82 HD11 LEU 82 0.276 -6.621 -6.256 652 HD12 LEU 82 HD12 LEU 82 0.658 -6.625 -4.517 653 HD13 LEU 82 HD13 LEU 82 -0.053 -5.177 -5.268 654 HD21 LEU 82 HD21 LEU 82 2.989 -5.758 -3.819 655 HD22 LEU 82 HD22 LEU 82 2.964 -7.213 -4.844 656 HD23 LEU 82 HD23 LEU 82 4.084 -5.881 -5.217 657 H VAL 83 H VAL 83 3.673 -5.041 -9.444 658 HA VAL 83 HA VAL 83 4.198 -2.368 -9.702 659 HB VAL 83 HB VAL 83 5.447 -3.240 -11.837 660 HG11 VAL 83 HG11 VAL 83 6.855 -4.655 -9.891 661 HG12 VAL 83 HG12 VAL 83 7.040 -2.932 -10.296 662 HG13 VAL 83 HG13 VAL 83 5.958 -3.423 -8.971 663 HG21 VAL 83 HG21 VAL 83 5.310 -5.410 -12.372 664 HG22 VAL 83 HG22 VAL 83 5.476 -5.920 -10.675 665 HG23 VAL 83 HG23 VAL 83 3.877 -5.477 -11.318 666 H ALA 84 H ALA 84 2.296 -4.536 -11.878 667 HA ALA 84 HA ALA 84 1.882 -2.793 -13.952 668 HB1 ALA 84 HB1 ALA 84 0.155 -4.956 -12.704 669 HB2 ALA 84 HB2 ALA 84 -0.301 -4.113 -14.204 670 HB3 ALA 84 HB3 ALA 84 1.199 -5.070 -14.141 671 H GLY 85 H GLY 85 0.439 -2.869 -10.690 672 HA2 GLY 85 HA2 GLY 85 -1.645 -0.994 -11.298 673 HA3 GLY 85 HA3 GLY 85 -1.143 -1.569 -9.720 674 H LEU 86 H LEU 86 1.634 -0.873 -9.758 675 HA LEU 86 HA LEU 86 1.549 1.722 -8.862 676 HB2 LEU 86 HB2 LEU 86 3.688 1.383 -8.344 677 HB3 LEU 86 HB3 LEU 86 3.336 -0.274 -8.795 678 HG LEU 86 HG LEU 86 4.158 0.355 -11.146 679 HD11 LEU 86 HD11 LEU 86 4.186 2.911 -10.131 680 HD12 LEU 86 HD12 LEU 86 5.902 2.442 -10.055 681 HD13 LEU 86 HD13 LEU 86 5.025 2.362 -11.602 682 HD21 LEU 86 HD21 LEU 86 5.641 -0.272 -8.705 683 HD22 LEU 86 HD22 LEU 86 5.728 -1.002 -10.326 684 HD23 LEU 86 HD23 LEU 86 6.649 0.478 -9.965 685 H SER 87 H SER 87 2.363 0.444 -12.138 686 HA SER 87 HA SER 87 3.005 2.984 -13.142 687 HB2 SER 87 HB2 SER 87 3.726 0.736 -14.091 688 HB3 SER 87 HB3 SER 87 2.097 0.525 -14.699 689 HG SER 87 HG SER 87 2.371 2.501 -15.949 690 H LEU 88 H LEU 88 0.134 0.796 -13.653 691 HA LEU 88 HA LEU 88 -1.389 2.473 -15.164 692 HB2 LEU 88 HB2 LEU 88 -1.689 0.020 -14.118 693 HB3 LEU 88 HB3 LEU 88 -2.768 0.903 -13.056 694 HG LEU 88 HG LEU 88 -3.576 1.835 -15.496 695 HD11 LEU 88 HD11 LEU 88 -2.807 -1.068 -15.907 696 HD12 LEU 88 HD12 LEU 88 -3.776 -0.070 -17.017 697 HD13 LEU 88 HD13 LEU 88 -2.071 0.340 -16.710 698 HD21 LEU 88 HD21 LEU 88 -5.557 0.903 -14.941 699 HD22 LEU 88 HD22 LEU 88 -4.848 -0.700 -14.630 700 HD23 LEU 88 HD23 LEU 88 -4.718 0.584 -13.404 701 H MET 89 H MET 89 -0.460 2.792 -11.795 702 HA MET 89 HA MET 89 -2.590 4.580 -11.185 703 HB2 MET 89 HB2 MET 89 -1.290 3.031 -9.558 704 HB3 MET 89 HB3 MET 89 0.053 4.149 -9.692 705 HG2 MET 89 HG2 MET 89 -2.296 5.722 -9.152 706 HG3 MET 89 HG3 MET 89 -2.317 4.370 -8.037 707 HE1 MET 89 HE1 MET 89 -0.020 6.989 -9.703 708 HE2 MET 89 HE2 MET 89 -1.031 7.886 -8.545 709 HE3 MET 89 HE3 MET 89 0.726 7.768 -8.287 710 H MET 90 H MET 90 1.011 4.885 -11.607 711 HA MET 90 HA MET 90 1.091 7.616 -11.317 712 HB2 MET 90 HB2 MET 90 3.334 7.402 -12.142 713 HB3 MET 90 HB3 MET 90 2.995 5.821 -11.468 714 HG2 MET 90 HG2 MET 90 3.547 4.948 -13.495 715 HG3 MET 90 HG3 MET 90 2.044 5.611 -14.106 716 HE1 MET 90 HE1 MET 90 5.628 5.392 -14.986 717 HE2 MET 90 HE2 MET 90 6.278 7.045 -14.857 718 HE3 MET 90 HE3 MET 90 5.749 6.180 -13.394 719 H ILE 91 H ILE 91 -0.199 5.688 -13.906 720 HA ILE 91 HA ILE 91 0.087 7.843 -15.837 721 HB ILE 91 HB ILE 91 0.402 5.279 -16.221 722 HG12 ILE 91 HG12 ILE 91 -1.224 6.411 -18.414 723 HG13 ILE 91 HG13 ILE 91 0.065 7.454 -17.847 724 HG21 ILE 91 HG21 ILE 91 -2.600 5.598 -16.350 725 HG22 ILE 91 HG22 ILE 91 -1.725 4.303 -17.201 726 HG23 ILE 91 HG23 ILE 91 -1.647 4.413 -15.426 727 HD11 ILE 91 HD11 ILE 91 1.667 6.144 -18.782 728 HD12 ILE 91 HD12 ILE 91 0.966 4.666 -18.080 729 HD13 ILE 91 HD13 ILE 91 0.342 5.301 -19.621 730 H LEU 92 H LEU 92 -2.368 6.116 -13.865 731 HA LEU 92 HA LEU 92 -4.543 7.544 -15.017 732 HB2 LEU 92 HB2 LEU 92 -5.883 6.308 -13.631 733 HB3 LEU 92 HB3 LEU 92 -4.515 5.244 -13.887 734 HG LEU 92 HG LEU 92 -3.610 6.223 -11.655 735 HD11 LEU 92 HD11 LEU 92 -6.307 7.409 -11.795 736 HD12 LEU 92 HD12 LEU 92 -5.906 6.620 -10.250 737 HD13 LEU 92 HD13 LEU 92 -4.865 7.918 -10.883 738 HD21 LEU 92 HD21 LEU 92 -6.045 4.434 -11.509 739 HD22 LEU 92 HD22 LEU 92 -4.454 3.895 -12.096 740 HD23 LEU 92 HD23 LEU 92 -4.638 4.467 -10.420 741 H ARG 93 H ARG 93 -2.017 8.368 -12.849 742 HA ARG 93 HA ARG 93 -3.683 10.400 -11.623 743 HB2 ARG 93 HB2 ARG 93 -1.467 8.772 -10.698 744 HB3 ARG 93 HB3 ARG 93 -0.991 10.455 -10.592 745 HG2 ARG 93 HG2 ARG 93 -3.748 10.078 -9.654 746 HG3 ARG 93 HG3 ARG 93 -2.638 9.046 -8.776 747 HD2 ARG 93 HD2 ARG 93 -1.157 11.105 -8.404 748 HD3 ARG 93 HD3 ARG 93 -2.440 12.077 -9.096 749 HE ARG 93 HE ARG 93 -3.507 10.389 -7.014 750 HH11 ARG 93 HH22 ARG 93 -1.571 13.287 -7.496 751 HH12 ARG 93 HH21 ARG 93 -1.994 13.979 -5.966 752 HH21 ARG 93 HH12 ARG 93 -4.065 11.301 -4.994 753 HH22 ARG 93 HH11 ARG 93 -3.423 12.842 -4.533 754 H LEU 94 H LEU 94 -0.568 9.861 -13.390 755 HA LEU 94 HA LEU 94 0.187 12.543 -13.528 756 HB2 LEU 94 HB2 LEU 94 1.703 10.691 -13.901 757 HB3 LEU 94 HB3 LEU 94 0.812 10.200 -15.328 758 HG LEU 94 HG LEU 94 1.440 12.804 -15.943 759 HD11 LEU 94 HD11 LEU 94 3.458 11.773 -14.013 760 HD12 LEU 94 HD12 LEU 94 4.057 12.627 -15.456 761 HD13 LEU 94 HD13 LEU 94 2.925 13.438 -14.347 762 HD21 LEU 94 HD21 LEU 94 3.471 10.774 -16.687 763 HD22 LEU 94 HD22 LEU 94 1.778 10.387 -17.075 764 HD23 LEU 94 HD23 LEU 94 2.516 11.880 -17.703 765 H VAL 95 H VAL 95 -2.444 10.850 -14.976 766 HA VAL 95 HA VAL 95 -2.593 12.272 -17.404 767 HB VAL 95 HB VAL 95 -4.412 10.582 -15.740 768 HG11 VAL 95 HG11 VAL 95 -5.955 12.270 -16.438 769 HG12 VAL 95 HG12 VAL 95 -5.279 12.298 -18.085 770 HG13 VAL 95 HG13 VAL 95 -6.183 10.873 -17.518 771 HG21 VAL 95 HG21 VAL 95 -2.597 10.024 -17.711 772 HG22 VAL 95 HG22 VAL 95 -3.976 8.987 -17.274 773 HG23 VAL 95 HG23 VAL 95 -4.112 10.119 -18.641 774 H LEU 96 H LEU 96 -3.779 12.854 -14.067 775 HA LEU 96 HA LEU 96 -5.103 15.280 -14.962 776 HB2 LEU 96 HB2 LEU 96 -6.088 15.357 -12.824 777 HB3 LEU 96 HB3 LEU 96 -6.189 13.701 -13.389 778 HG LEU 96 HG LEU 96 -3.781 13.954 -11.868 779 HD11 LEU 96 HD11 LEU 96 -5.364 15.945 -10.999 780 HD12 LEU 96 HD12 LEU 96 -6.008 14.606 -10.019 781 HD13 LEU 96 HD13 LEU 96 -4.278 15.018 -9.936 782 HD21 LEU 96 HD21 LEU 96 -4.865 12.247 -10.457 783 HD22 LEU 96 HD22 LEU 96 -6.401 12.535 -11.309 784 HD23 LEU 96 HD23 LEU 96 -5.000 11.883 -12.194 785 H LEU 97 H LEU 97 -2.031 14.648 -14.862 786 HA LEU 97 HA LEU 97 -0.153 15.596 -14.088 787 HB2 LEU 97 HB2 LEU 97 -1.287 17.073 -15.899 788 HB3 LEU 97 HB3 LEU 97 -1.551 18.204 -14.587 789 HG LEU 97 HG LEU 97 1.217 17.143 -15.002 790 HD11 LEU 97 HD11 LEU 97 1.018 19.531 -16.509 791 HD12 LEU 97 HD12 LEU 97 1.427 17.894 -17.076 792 HD13 LEU 97 HD13 LEU 97 -0.267 18.441 -17.083 793 HD21 LEU 97 HD21 LEU 97 1.465 19.783 -14.512 794 HD22 LEU 97 HD22 LEU 97 -0.096 19.468 -13.717 795 HD23 LEU 97 HD23 LEU 97 1.349 18.545 -13.238 796 H LEU 98 H LEU 98 -1.618 14.763 -11.895 797 HA LEU 98 HA LEU 98 -2.209 15.253 -9.780 798 HB2 LEU 98 HB2 LEU 98 0.369 16.696 -9.476 799 HB3 LEU 98 HB3 LEU 98 -0.338 15.425 -8.498 800 HG LEU 98 HG LEU 98 0.863 14.984 -11.245 801 HD11 LEU 98 HD11 LEU 98 2.150 15.373 -8.682 802 HD12 LEU 98 HD12 LEU 98 2.474 13.744 -9.321 803 HD13 LEU 98 HD13 LEU 98 2.863 15.178 -10.301 804 HD21 LEU 98 HD21 LEU 98 0.228 12.847 -11.120 805 HD22 LEU 98 HD22 LEU 98 0.686 12.714 -9.405 806 HD23 LEU 98 HD23 LEU 98 -0.899 13.388 -9.852 807 H LEU 99 H LEU 99 -3.332 17.170 -11.604 808 HA LEU 99 HA LEU 99 -2.918 19.783 -11.170 809 HB2 LEU 99 HB2 LEU 99 -5.013 18.136 -12.120 810 HB3 LEU 99 HB3 LEU 99 -5.741 19.292 -11.022 811 HG LEU 99 HG LEU 99 -3.948 20.051 -13.344 812 HD11 LEU 99 HD11 LEU 99 -5.687 20.082 -14.754 813 HD12 LEU 99 HD12 LEU 99 -6.450 18.970 -13.592 814 HD13 LEU 99 HD13 LEU 99 -6.807 20.713 -13.522 815 HD21 LEU 99 HD21 LEU 99 -5.276 21.564 -11.175 816 HD22 LEU 99 HD22 LEU 99 -3.814 21.938 -12.119 817 HD23 LEU 99 HD23 LEU 99 -5.424 22.251 -12.810
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