NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
279446 | 2kmg | 16428 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 5.535 1.341 23.965 2 H2 MET 1 HT2 MET 1 6.537 2.222 22.925 3 H3 MET 1 HT3 MET 1 4.894 2.042 22.565 4 HA MET 1 HA MET 1 5.994 3.491 24.901 5 HB2 MET 1 HB1 MET 1 6.426 4.688 22.823 6 HB3 MET 1 HB2 MET 1 4.747 4.505 22.338 7 HG2 MET 1 HG1 MET 1 5.202 6.747 23.160 8 HG3 MET 1 HG2 MET 1 4.035 5.910 24.182 9 HE1 MET 1 HE1 MET 1 5.966 8.164 26.736 10 HE2 MET 1 HE2 MET 1 4.376 7.667 26.160 11 HE3 MET 1 HE3 MET 1 5.466 8.547 25.088 12 H ASN 2 HN ASN 2 3.121 2.753 22.938 13 HA ASN 2 HA ASN 2 1.404 3.514 25.180 14 HB2 ASN 2 HB1 ASN 2 0.664 2.719 22.355 15 HB3 ASN 2 HB2 ASN 2 -0.443 3.334 23.579 16 HD21 ASN 2 HD22 ASN 2 0.222 4.385 20.940 17 HD22 ASN 2 HD21 ASN 2 0.785 5.997 21.199 18 H THR 3 HN THR 3 -0.663 2.024 25.274 19 HA THR 3 HA THR 3 0.323 -0.735 25.573 20 HB THR 3 HB THR 3 -1.401 -1.049 27.283 21 HG1 THR 3 HG1 THR 3 -2.980 0.346 27.474 22 HG21 THR 3 HG21 THR 3 -0.480 0.425 29.012 23 HG22 THR 3 HG22 THR 3 0.263 1.426 27.764 24 HG23 THR 3 HG23 THR 3 0.796 -0.239 27.992 25 H GLU 4 HN GLU 4 -1.715 1.206 23.753 26 HA GLU 4 HA GLU 4 -3.261 -1.135 22.874 27 HB2 GLU 4 HB2 GLU 4 -4.951 0.768 22.161 28 HB3 GLU 4 HB1 GLU 4 -4.972 0.078 23.777 29 HG2 GLU 4 HG1 GLU 4 -3.750 1.944 24.655 30 HG3 GLU 4 HG2 GLU 4 -3.519 2.609 23.039 31 H GLU 5 HN GLU 5 -3.490 2.001 21.401 32 HA GLU 5 HA GLU 5 -2.916 1.018 18.821 33 HB2 GLU 5 HB2 GLU 5 -2.941 3.873 19.814 34 HB3 GLU 5 HB1 GLU 5 -2.972 3.381 18.127 35 HG2 GLU 5 HG2 GLU 5 -5.121 2.270 18.500 36 HG3 GLU 5 HG1 GLU 5 -5.090 2.794 20.183 37 H GLN 6 HN GLN 6 -1.241 2.379 17.438 38 HA GLN 6 HA GLN 6 1.344 2.108 18.815 39 HB2 GLN 6 HB2 GLN 6 2.100 2.043 16.258 40 HB3 GLN 6 HB1 GLN 6 1.595 0.603 17.128 41 HG2 GLN 6 HG2 GLN 6 0.579 0.664 14.943 42 HG3 GLN 6 HG1 GLN 6 -0.654 0.829 16.192 43 HE21 GLN 6 HE21 GLN 6 1.105 2.449 13.665 44 HE22 GLN 6 HE22 GLN 6 0.052 3.812 13.531 45 HA PRO 7 HA PRO 7 1.948 6.457 18.328 46 HB2 PRO 7 HB2 PRO 7 4.819 5.924 18.472 47 HB3 PRO 7 HB1 PRO 7 3.800 6.816 19.605 48 HG2 PRO 7 HG1 PRO 7 4.828 4.407 20.216 49 HG3 PRO 7 HG2 PRO 7 3.227 4.915 20.785 50 HD2 PRO 7 HD1 PRO 7 3.942 3.104 18.507 51 HD3 PRO 7 HD2 PRO 7 2.656 2.930 19.722 52 H VAL 8 HN VAL 8 2.590 4.281 16.091 53 HA VAL 8 HA VAL 8 4.309 5.819 14.346 54 HB VAL 8 HB VAL 8 2.749 3.319 13.680 55 HG11 VAL 8 HG21 VAL 8 4.410 3.056 11.903 56 HG12 VAL 8 HG22 VAL 8 5.165 4.577 12.381 57 HG13 VAL 8 HG23 VAL 8 3.524 4.571 11.735 58 HG21 VAL 8 HG11 VAL 8 4.205 2.909 15.589 59 HG22 VAL 8 HG12 VAL 8 5.573 3.588 14.708 60 HG23 VAL 8 HG13 VAL 8 4.819 2.095 14.151 61 H THR 9 HN THR 9 3.682 7.191 12.801 62 HA THR 9 HA THR 9 0.941 7.087 11.789 63 HB THR 9 HB THR 9 0.689 9.537 12.000 64 HG1 THR 9 HG1 THR 9 2.619 9.791 13.946 65 HG21 THR 9 HG21 THR 9 0.239 9.592 14.412 66 HG22 THR 9 HG22 THR 9 1.189 8.121 14.621 67 HG23 THR 9 HG23 THR 9 -0.308 8.078 13.691 68 H ALA 10 HN ALA 10 0.732 7.708 9.681 69 HA ALA 10 HA ALA 10 3.162 7.928 8.162 70 HB1 ALA 10 HB1 ALA 10 1.709 7.855 6.206 71 HB2 ALA 10 HB2 ALA 10 0.292 8.033 7.239 72 HB3 ALA 10 HB3 ALA 10 1.286 6.581 7.350 73 H SER 11 HN SER 11 3.263 9.593 6.360 74 HA SER 11 HA SER 11 2.071 12.161 7.032 75 HB2 SER 11 HB2 SER 11 4.114 12.139 8.381 76 HB3 SER 11 HB1 SER 11 5.070 11.760 6.948 77 HG SER 11 HG SER 11 5.216 13.850 6.785 78 H LEU 12 HN LEU 12 2.480 13.805 5.353 79 HA LEU 12 HA LEU 12 2.641 12.524 2.733 80 HB2 LEU 12 HB2 LEU 12 0.663 13.953 3.421 81 HB3 LEU 12 HB1 LEU 12 1.743 15.332 3.348 82 HG LEU 12 HG LEU 12 2.144 14.874 0.955 83 HD11 LEU 12 HD11 LEU 12 0.747 13.256 -0.219 84 HD12 LEU 12 HD12 LEU 12 0.041 12.743 1.314 85 HD13 LEU 12 HD13 LEU 12 1.753 12.462 0.994 86 HD21 LEU 12 HD21 LEU 12 0.417 16.451 1.600 87 HD22 LEU 12 HD22 LEU 12 -0.755 15.139 1.733 88 HD23 LEU 12 HD23 LEU 12 -0.073 15.556 0.161 89 H VAL 13 HN VAL 13 4.474 12.628 1.671 90 HA VAL 13 HA VAL 13 6.500 14.576 2.400 91 HB VAL 13 HB VAL 13 7.309 12.355 2.105 92 HG11 VAL 13 HG11 VAL 13 6.031 12.420 -0.625 93 HG12 VAL 13 HG12 VAL 13 5.512 11.456 0.759 94 HG13 VAL 13 HG13 VAL 13 7.063 11.126 -0.014 95 HG21 VAL 13 HG21 VAL 13 8.975 12.629 0.326 96 HG22 VAL 13 HG22 VAL 13 8.802 14.093 1.296 97 HG23 VAL 13 HG23 VAL 13 8.066 14.004 -0.304 98 H ALA 14 HN ALA 14 7.455 16.049 0.976 99 HA ALA 14 HA ALA 14 5.809 17.545 -0.636 100 HB1 ALA 14 HB1 ALA 14 8.800 17.272 -0.906 101 HB2 ALA 14 HB2 ALA 14 7.961 18.329 0.228 102 HB3 ALA 14 HB3 ALA 14 7.818 18.607 -1.508 103 H GLU 15 HN GLU 15 5.635 17.838 -2.900 104 HA GLU 15 HA GLU 15 5.495 15.381 -4.355 105 HB2 GLU 15 HB2 GLU 15 4.649 16.791 -6.200 106 HB3 GLU 15 HB1 GLU 15 3.798 17.078 -4.690 107 HG2 GLU 15 HG1 GLU 15 5.127 19.095 -4.324 108 HG3 GLU 15 HG2 GLU 15 5.974 18.808 -5.843 109 H ALA 16 HN ALA 16 7.729 18.052 -4.196 110 HA ALA 16 HA ALA 16 9.146 17.245 -6.590 111 HB1 ALA 16 HB1 ALA 16 8.942 19.618 -6.022 112 HB2 ALA 16 HB2 ALA 16 10.631 19.111 -6.102 113 HB3 ALA 16 HB3 ALA 16 9.851 19.338 -4.536 114 H GLN 17 HN GLN 17 9.026 16.098 -3.501 115 HA GLN 17 HA GLN 17 11.826 15.189 -3.589 116 HB2 GLN 17 HB2 GLN 17 10.047 15.716 -1.207 117 HB3 GLN 17 HB1 GLN 17 11.597 14.892 -1.100 118 HG2 GLN 17 HG2 GLN 17 11.211 17.682 -2.157 119 HG3 GLN 17 HG1 GLN 17 11.700 17.286 -0.510 120 HE21 GLN 17 HE21 GLN 17 12.633 17.229 -3.869 121 HE22 GLN 17 HE22 GLN 17 14.327 17.032 -3.600 122 H ARG 18 HN ARG 18 8.545 14.292 -3.645 123 HA ARG 18 HA ARG 18 8.794 11.662 -2.585 124 HB2 ARG 18 HB1 ARG 18 6.584 11.269 -3.561 125 HB3 ARG 18 HB2 ARG 18 6.628 12.799 -2.699 126 HG2 ARG 18 HG1 ARG 18 6.877 13.986 -4.823 127 HG3 ARG 18 HG2 ARG 18 6.813 12.446 -5.682 128 HD2 ARG 18 HD2 ARG 18 4.621 13.434 -3.872 129 HD3 ARG 18 HD1 ARG 18 4.655 13.728 -5.611 130 HE ARG 18 HE ARG 18 4.943 11.011 -5.319 131 HH11 ARG 18 HH11 ARG 18 2.581 13.401 -4.396 132 HH12 ARG 18 HH12 ARG 18 1.244 12.306 -4.496 133 HH21 ARG 18 HH21 ARG 18 3.186 9.564 -5.459 134 HH22 ARG 18 HH22 ARG 18 1.587 10.125 -5.100 135 H LEU 19 HN LEU 19 9.609 13.123 -5.563 136 HA LEU 19 HA LEU 19 9.415 10.877 -7.271 137 HB2 LEU 19 HB2 LEU 19 10.984 12.148 -8.723 138 HB3 LEU 19 HB1 LEU 19 9.566 13.055 -8.235 139 HG LEU 19 HG LEU 19 11.212 13.898 -6.326 140 HD11 LEU 19 HD11 LEU 19 13.474 14.195 -7.186 141 HD12 LEU 19 HD12 LEU 19 13.064 13.234 -8.606 142 HD13 LEU 19 HD13 LEU 19 13.075 12.486 -7.008 143 HD21 LEU 19 HD21 LEU 19 11.737 15.827 -7.754 144 HD22 LEU 19 HD22 LEU 19 10.048 15.337 -7.880 145 HD23 LEU 19 HD23 LEU 19 11.186 14.916 -9.160 146 H ASP 20 HN ASP 20 11.725 11.862 -4.895 147 HA ASP 20 HA ASP 20 13.521 9.673 -5.725 148 HB2 ASP 20 HB2 ASP 20 14.457 12.041 -5.680 149 HB3 ASP 20 HB1 ASP 20 14.262 11.982 -3.930 150 H PHE 21 HN PHE 21 11.352 10.766 -3.390 151 HA PHE 21 HA PHE 21 12.382 9.589 -1.037 152 HB2 PHE 21 HB2 PHE 21 10.423 11.282 -1.376 153 HB3 PHE 21 HB1 PHE 21 9.442 9.834 -1.577 154 HD1 PHE 21 HD1 PHE 21 11.517 11.744 0.775 155 HD2 PHE 21 HD2 PHE 21 8.866 8.454 0.270 156 HE1 PHE 21 HE1 PHE 21 11.289 11.558 3.217 157 HE2 PHE 21 HE2 PHE 21 8.633 8.261 2.712 158 HZ PHE 21 HZ PHE 21 9.846 9.816 4.189 159 H LEU 22 HN LEU 22 10.227 8.405 -3.576 160 HA LEU 22 HA LEU 22 9.550 5.957 -2.373 161 HB2 LEU 22 HB2 LEU 22 8.709 7.241 -4.571 162 HB3 LEU 22 HB1 LEU 22 9.779 6.081 -5.329 163 HG LEU 22 HG LEU 22 7.548 5.197 -5.357 164 HD11 LEU 22 HD21 LEU 22 9.435 3.642 -4.879 165 HD12 LEU 22 HD22 LEU 22 7.871 3.086 -4.284 166 HD13 LEU 22 HD23 LEU 22 9.046 3.777 -3.164 167 HD21 LEU 22 HD11 LEU 22 6.592 6.514 -3.558 168 HD22 LEU 22 HD12 LEU 22 7.540 5.617 -2.372 169 HD23 LEU 22 HD13 LEU 22 6.282 4.797 -3.298 170 HA PRO 23 HA PRO 23 13.187 3.978 -4.872 171 HB2 PRO 23 HB2 PRO 23 15.086 5.633 -5.878 172 HB3 PRO 23 HB1 PRO 23 13.653 5.154 -6.793 173 HG2 PRO 23 HG2 PRO 23 14.169 7.676 -5.261 174 HG3 PRO 23 HG1 PRO 23 13.441 7.472 -6.866 175 HD2 PRO 23 HD2 PRO 23 11.956 7.883 -4.646 176 HD3 PRO 23 HD1 PRO 23 11.386 6.885 -5.998 177 H THR 24 HN THR 24 13.447 6.598 -2.702 178 HA THR 24 HA THR 24 16.098 5.910 -1.759 179 HB THR 24 HB THR 24 14.087 8.001 -0.985 180 HG1 THR 24 HG1 THR 24 16.424 7.854 -2.416 181 HG21 THR 24 HG21 THR 24 15.049 7.129 1.106 182 HG22 THR 24 HG22 THR 24 15.570 8.781 0.771 183 HG23 THR 24 HG23 THR 24 16.667 7.431 0.473 184 H TYR 25 HN TYR 25 12.765 5.398 -0.782 185 HA TYR 25 HA TYR 25 13.665 4.125 1.702 186 HB2 TYR 25 HB1 TYR 25 11.049 5.208 0.750 187 HB3 TYR 25 HB2 TYR 25 11.052 3.960 1.992 188 HD1 TYR 25 HD2 TYR 25 12.714 7.221 1.223 189 HD2 TYR 25 HD1 TYR 25 11.140 4.623 4.203 190 HE1 TYR 25 HE2 TYR 25 13.156 8.928 2.937 191 HE2 TYR 25 HE1 TYR 25 11.579 6.322 5.925 192 HH TYR 25 HH TYR 25 12.345 9.538 5.180 193 H PHE 26 HN PHE 26 12.315 3.392 -1.401 194 HA PHE 26 HA PHE 26 11.911 0.592 -0.618 195 HB2 PHE 26 HB2 PHE 26 10.232 2.199 -1.993 196 HB3 PHE 26 HB1 PHE 26 11.146 1.513 -3.332 197 HD1 PHE 26 HD2 PHE 26 10.117 -0.096 -0.140 198 HD2 PHE 26 HD1 PHE 26 9.667 0.065 -4.369 199 HE1 PHE 26 HE2 PHE 26 8.722 -2.120 -0.065 200 HE2 PHE 26 HE1 PHE 26 8.269 -1.957 -4.301 201 HZ PHE 26 HZ PHE 26 7.796 -3.054 -2.148 202 H GLY 27 HN GLY 27 13.456 2.646 -3.046 203 HA2 GLY 27 HA2 GLY 27 15.872 1.718 -3.351 204 HA3 GLY 27 HA1 GLY 27 15.002 0.342 -4.014 205 HA PRO 28 HA PRO 28 15.549 4.198 -6.988 206 HB2 PRO 28 HB2 PRO 28 17.897 3.403 -8.215 207 HB3 PRO 28 HB1 PRO 28 17.784 4.642 -6.962 208 HG2 PRO 28 HG2 PRO 28 18.542 1.762 -6.719 209 HG3 PRO 28 HG1 PRO 28 19.233 3.177 -5.904 210 HD2 PRO 28 HD1 PRO 28 17.537 1.522 -4.646 211 HD3 PRO 28 HD2 PRO 28 17.516 3.272 -4.348 212 H ARG 29 HN ARG 29 15.852 0.760 -7.064 213 HA ARG 29 HA ARG 29 15.125 0.706 -9.899 214 HB2 ARG 29 HB2 ARG 29 16.968 -0.743 -9.365 215 HB3 ARG 29 HB1 ARG 29 16.072 -1.475 -8.040 216 HG2 ARG 29 HG2 ARG 29 16.183 -2.921 -10.023 217 HG3 ARG 29 HG1 ARG 29 14.526 -2.495 -9.590 218 HD2 ARG 29 HD2 ARG 29 14.786 -0.590 -11.293 219 HD3 ARG 29 HD1 ARG 29 16.195 -1.480 -11.868 220 HE ARG 29 HE ARG 29 13.599 -2.839 -11.721 221 HH11 ARG 29 HH11 ARG 29 16.221 -1.530 -13.609 222 HH12 ARG 29 HH12 ARG 29 15.730 -2.316 -15.073 223 HH21 ARG 29 HH21 ARG 29 12.947 -3.878 -13.645 224 HH22 ARG 29 HH22 ARG 29 13.869 -3.650 -15.093 225 H LEU 30 HN LEU 30 13.928 -0.221 -6.689 226 HA LEU 30 HA LEU 30 11.689 -1.659 -7.642 227 HB2 LEU 30 HB1 LEU 30 12.281 -0.382 -4.979 228 HB3 LEU 30 HB2 LEU 30 10.920 -1.439 -5.282 229 HG LEU 30 HG LEU 30 13.837 -2.203 -5.452 230 HD11 LEU 30 HD21 LEU 30 11.704 -3.054 -3.500 231 HD12 LEU 30 HD22 LEU 30 12.958 -1.860 -3.169 232 HD13 LEU 30 HD23 LEU 30 13.401 -3.537 -3.492 233 HD21 LEU 30 HD11 LEU 30 12.533 -3.415 -7.103 234 HD22 LEU 30 HD12 LEU 30 11.359 -3.869 -5.867 235 HD23 LEU 30 HD13 LEU 30 13.009 -4.485 -5.785 236 H MET 31 HN MET 31 12.268 1.724 -6.944 237 HA MET 31 HA MET 31 9.942 2.865 -6.410 238 HB2 MET 31 HB2 MET 31 10.523 4.669 -8.138 239 HB3 MET 31 HB1 MET 31 11.697 4.328 -6.876 240 HG2 MET 31 HG2 MET 31 13.240 3.851 -8.376 241 HG3 MET 31 HG1 MET 31 12.207 2.644 -9.126 242 HE1 MET 31 HE1 MET 31 13.597 4.933 -12.078 243 HE2 MET 31 HE2 MET 31 13.500 3.276 -11.481 244 HE3 MET 31 HE3 MET 31 14.422 4.483 -10.586 245 H MET 32 HN MET 32 10.603 1.343 -9.518 246 HA MET 32 HA MET 32 7.923 2.037 -10.454 247 HB2 MET 32 HB2 MET 32 8.648 1.247 -12.630 248 HB3 MET 32 HB1 MET 32 9.833 2.377 -11.991 249 HG2 MET 32 HG2 MET 32 11.245 0.499 -11.306 250 HG3 MET 32 HG1 MET 32 10.062 -0.623 -11.973 251 HE1 MET 32 HE1 MET 32 12.603 2.306 -14.473 252 HE2 MET 32 HE2 MET 32 12.804 2.055 -12.739 253 HE3 MET 32 HE3 MET 32 11.351 2.843 -13.353 254 H ARG 33 HN ARG 33 9.937 -0.715 -9.604 255 HA ARG 33 HA ARG 33 8.174 -2.755 -10.420 256 HB2 ARG 33 HB2 ARG 33 10.317 -2.736 -8.294 257 HB3 ARG 33 HB1 ARG 33 9.480 -4.183 -8.835 258 HG2 ARG 33 HG1 ARG 33 10.341 -3.810 -11.106 259 HG3 ARG 33 HG2 ARG 33 11.219 -2.395 -10.519 260 HD2 ARG 33 HD2 ARG 33 12.548 -3.756 -9.055 261 HD3 ARG 33 HD1 ARG 33 11.584 -5.182 -9.433 262 HE ARG 33 HE ARG 33 12.702 -4.137 -11.798 263 HH11 ARG 33 HH11 ARG 33 13.606 -5.832 -8.891 264 HH12 ARG 33 HH12 ARG 33 14.958 -6.631 -9.623 265 HH21 ARG 33 HH21 ARG 33 14.479 -5.185 -12.770 266 HH22 ARG 33 HH22 ARG 33 15.454 -6.263 -11.827 267 H GLY 34 HN GLY 34 8.119 -0.625 -7.705 268 HA2 GLY 34 HA2 GLY 34 6.240 -2.375 -6.275 269 HA3 GLY 34 HA1 GLY 34 7.081 -0.998 -5.584 270 H GLU 35 HN GLU 35 6.510 0.920 -7.573 271 HA GLU 35 HA GLU 35 4.033 1.867 -6.693 272 HB2 GLU 35 HB1 GLU 35 4.220 3.568 -8.398 273 HB3 GLU 35 HB2 GLU 35 5.806 3.290 -7.693 274 HG2 GLU 35 HG1 GLU 35 6.472 1.984 -9.606 275 HG3 GLU 35 HG2 GLU 35 4.856 2.118 -10.297 276 H ALA 36 HN ALA 36 4.930 0.044 -9.581 277 HA ALA 36 HA ALA 36 2.288 0.099 -10.695 278 HB1 ALA 36 HB1 ALA 36 4.612 -1.699 -11.367 279 HB2 ALA 36 HB2 ALA 36 4.280 -0.129 -12.098 280 HB3 ALA 36 HB3 ALA 36 3.158 -1.469 -12.337 281 H LEU 37 HN LEU 37 3.930 -1.927 -8.412 282 HA LEU 37 HA LEU 37 2.235 -4.205 -8.733 283 HB2 LEU 37 HB2 LEU 37 4.598 -3.598 -7.342 284 HB3 LEU 37 HB1 LEU 37 3.428 -4.063 -6.122 285 HG LEU 37 HG LEU 37 2.990 -6.111 -7.665 286 HD11 LEU 37 HD21 LEU 37 5.724 -5.246 -8.602 287 HD12 LEU 37 HD22 LEU 37 4.257 -5.326 -9.580 288 HD13 LEU 37 HD23 LEU 37 4.970 -6.805 -8.938 289 HD21 LEU 37 HD11 LEU 37 4.833 -7.333 -6.568 290 HD22 LEU 37 HD12 LEU 37 3.943 -6.295 -5.455 291 HD23 LEU 37 HD13 LEU 37 5.521 -5.792 -6.060 292 H VAL 38 HN VAL 38 2.174 -1.367 -6.652 293 HA VAL 38 HA VAL 38 0.172 -2.391 -4.885 294 HB VAL 38 HB VAL 38 0.060 -0.250 -3.902 295 HG11 VAL 38 HG11 VAL 38 2.385 0.331 -3.513 296 HG12 VAL 38 HG12 VAL 38 2.865 -0.572 -4.950 297 HG13 VAL 38 HG13 VAL 38 2.183 -1.420 -3.562 298 HG21 VAL 38 HG21 VAL 38 1.453 0.939 -6.291 299 HG22 VAL 38 HG22 VAL 38 0.785 1.794 -4.900 300 HG23 VAL 38 HG23 VAL 38 -0.292 0.985 -6.038 301 H TYR 39 HN TYR 39 0.133 -0.330 -7.751 302 HA TYR 39 HA TYR 39 -2.685 0.122 -7.670 303 HB2 TYR 39 HB1 TYR 39 -2.212 1.641 -9.247 304 HB3 TYR 39 HB2 TYR 39 -0.522 1.180 -9.074 305 HD1 TYR 39 HD2 TYR 39 0.547 -0.276 -10.698 306 HD2 TYR 39 HD1 TYR 39 -3.516 0.896 -11.154 307 HE1 TYR 39 HE2 TYR 39 0.601 -1.023 -13.041 308 HE2 TYR 39 HE1 TYR 39 -3.475 0.153 -13.497 309 HH TYR 39 HH TYR 39 -1.818 -0.231 -15.280 310 H ALA 40 HN ALA 40 -0.635 -2.363 -8.932 311 HA ALA 40 HA ALA 40 -2.324 -3.463 -10.883 312 HB1 ALA 40 HB1 ALA 40 -1.003 -5.497 -10.638 313 HB2 ALA 40 HB2 ALA 40 -0.319 -4.885 -9.133 314 HB3 ALA 40 HB3 ALA 40 0.035 -4.073 -10.659 315 H TRP 41 HN TRP 41 -2.085 -4.026 -7.401 316 HA TRP 41 HA TRP 41 -4.095 -6.070 -7.377 317 HB2 TRP 41 HB2 TRP 41 -2.734 -4.475 -5.206 318 HB3 TRP 41 HB1 TRP 41 -4.003 -5.643 -4.854 319 HD1 TRP 41 HD1 TRP 41 -0.333 -5.396 -5.704 320 HE1 TRP 41 HE1 TRP 41 0.723 -7.740 -5.606 321 HE3 TRP 41 HE3 TRP 41 -4.597 -8.185 -5.293 322 HZ2 TRP 41 HZ2 TRP 41 -0.141 -10.421 -5.386 323 HZ3 TRP 41 HZ3 TRP 41 -4.396 -10.632 -5.144 324 HH2 TRP 41 HH2 TRP 41 -2.213 -11.726 -5.190 325 H MET 42 HN MET 42 -4.013 -2.600 -6.941 326 HA MET 42 HA MET 42 -6.502 -2.219 -5.731 327 HB2 MET 42 HB1 MET 42 -4.551 -0.564 -6.214 328 HB3 MET 42 HB2 MET 42 -5.398 -0.279 -7.729 329 HG2 MET 42 HG1 MET 42 -5.973 1.365 -6.019 330 HG3 MET 42 HG2 MET 42 -7.372 0.424 -6.536 331 HE1 MET 42 HE1 MET 42 -7.947 1.225 -2.695 332 HE2 MET 42 HE2 MET 42 -8.625 1.396 -4.314 333 HE3 MET 42 HE3 MET 42 -7.136 2.239 -3.889 334 H ARG 43 HN ARG 43 -5.650 -2.076 -9.189 335 HA ARG 43 HA ARG 43 -8.262 -1.610 -10.118 336 HB2 ARG 43 HB2 ARG 43 -7.391 -2.400 -12.316 337 HB3 ARG 43 HB1 ARG 43 -6.405 -1.159 -11.556 338 HG2 ARG 43 HG1 ARG 43 -4.844 -2.884 -10.787 339 HG3 ARG 43 HG2 ARG 43 -5.829 -4.115 -11.580 340 HD2 ARG 43 HD1 ARG 43 -4.495 -1.796 -12.966 341 HD3 ARG 43 HD2 ARG 43 -3.876 -3.446 -12.927 342 HE ARG 43 HE ARG 43 -6.481 -3.529 -13.920 343 HH11 ARG 43 HH11 ARG 43 -3.359 -2.281 -14.833 344 HH12 ARG 43 HH12 ARG 43 -3.660 -2.411 -16.533 345 HH21 ARG 43 HH21 ARG 43 -6.886 -3.705 -16.158 346 HH22 ARG 43 HH22 ARG 43 -5.664 -3.219 -17.287 347 H ARG 44 HN ARG 44 -7.009 -4.354 -8.667 348 HA ARG 44 HA ARG 44 -8.735 -6.215 -10.106 349 HB2 ARG 44 HB1 ARG 44 -6.694 -6.603 -7.914 350 HB3 ARG 44 HB2 ARG 44 -7.697 -7.906 -8.541 351 HG2 ARG 44 HG1 ARG 44 -6.744 -7.539 -10.776 352 HG3 ARG 44 HG2 ARG 44 -5.708 -6.276 -10.108 353 HD2 ARG 44 HD2 ARG 44 -4.653 -7.901 -8.633 354 HD3 ARG 44 HD1 ARG 44 -5.713 -9.168 -9.252 355 HE ARG 44 HE ARG 44 -4.312 -7.980 -11.387 356 HH11 ARG 44 HH11 ARG 44 -3.803 -10.074 -8.649 357 HH12 ARG 44 HH12 ARG 44 -2.473 -10.913 -9.374 358 HH21 ARG 44 HH21 ARG 44 -2.562 -9.080 -12.350 359 HH22 ARG 44 HH22 ARG 44 -1.767 -10.348 -11.478 360 H LEU 45 HN LEU 45 -8.444 -4.626 -7.011 361 HA LEU 45 HA LEU 45 -10.436 -6.106 -5.645 362 HB2 LEU 45 HB2 LEU 45 -9.739 -3.247 -5.053 363 HB3 LEU 45 HB1 LEU 45 -10.311 -4.478 -3.951 364 HG LEU 45 HG LEU 45 -7.595 -4.465 -5.264 365 HD11 LEU 45 HD11 LEU 45 -6.754 -3.949 -3.025 366 HD12 LEU 45 HD12 LEU 45 -8.410 -3.823 -2.434 367 HD13 LEU 45 HD13 LEU 45 -7.812 -2.675 -3.632 368 HD21 LEU 45 HD21 LEU 45 -8.397 -6.717 -4.814 369 HD22 LEU 45 HD22 LEU 45 -8.764 -6.267 -3.148 370 HD23 LEU 45 HD23 LEU 45 -7.092 -6.287 -3.707 371 H CYS 46 HN CYS 46 -10.566 -3.379 -7.830 372 HA CYS 46 HA CYS 46 -13.494 -3.366 -7.532 373 HB2 CYS 46 HB2 CYS 46 -12.648 -1.288 -6.616 374 HB3 CYS 46 HB1 CYS 46 -11.679 -1.004 -8.058 375 HG CYS 46 HG CYS 46 -15.101 -1.026 -7.976 376 H GLU 47 HN GLU 47 -14.645 -3.598 -9.366 377 HA GLU 47 HA GLU 47 -13.264 -4.323 -11.771 378 HB2 GLU 47 HB1 GLU 47 -15.510 -4.732 -12.677 379 HB3 GLU 47 HB2 GLU 47 -15.301 -5.491 -11.104 380 HG2 GLU 47 HG1 GLU 47 -16.517 -3.648 -10.056 381 HG3 GLU 47 HG2 GLU 47 -16.732 -2.897 -11.636 382 H ARG 48 HN ARG 48 -14.778 -1.482 -10.529 383 HA ARG 48 HA ARG 48 -14.489 -0.157 -13.145 384 HB2 ARG 48 HB2 ARG 48 -16.104 1.522 -12.265 385 HB3 ARG 48 HB1 ARG 48 -16.784 -0.094 -12.400 386 HG2 ARG 48 HG2 ARG 48 -16.412 -0.420 -9.983 387 HG3 ARG 48 HG1 ARG 48 -15.829 1.244 -9.877 388 HD2 ARG 48 HD2 ARG 48 -18.580 0.368 -10.746 389 HD3 ARG 48 HD1 ARG 48 -18.161 1.102 -9.200 390 HE ARG 48 HE ARG 48 -17.327 2.826 -11.232 391 HH11 ARG 48 HH11 ARG 48 -20.284 1.559 -9.893 392 HH12 ARG 48 HH12 ARG 48 -21.223 2.951 -10.316 393 HH21 ARG 48 HH21 ARG 48 -18.555 4.663 -11.792 394 HH22 ARG 48 HH22 ARG 48 -20.241 4.716 -11.396 395 H TYR 49 HN TYR 49 -12.197 -0.484 -11.852 396 HA TYR 49 HA TYR 49 -11.673 2.056 -10.461 397 HB2 TYR 49 HB2 TYR 49 -11.264 -0.305 -9.368 398 HB3 TYR 49 HB1 TYR 49 -9.792 -0.266 -10.334 399 HD1 TYR 49 HD2 TYR 49 -8.319 1.867 -10.082 400 HD2 TYR 49 HD1 TYR 49 -11.280 0.664 -7.280 401 HE1 TYR 49 HE2 TYR 49 -7.228 3.233 -8.351 402 HE2 TYR 49 HE1 TYR 49 -10.200 2.018 -5.540 403 HH TYR 49 HH TYR 49 -7.799 4.328 -6.237 404 H ASN 50 HN ASN 50 -11.200 3.334 -12.247 405 HA ASN 50 HA ASN 50 -9.492 2.519 -14.351 406 HB2 ASN 50 HB1 ASN 50 -10.411 5.239 -13.418 407 HB3 ASN 50 HB2 ASN 50 -9.396 5.009 -14.838 408 HD21 ASN 50 HD21 ASN 50 -11.891 2.757 -13.887 409 HD22 ASN 50 HD22 ASN 50 -12.957 3.086 -15.205 410 H GLY 51 HN GLY 51 -8.922 4.855 -11.705 411 HA2 GLY 51 HA2 GLY 51 -6.487 3.931 -10.837 412 HA3 GLY 51 HA1 GLY 51 -6.105 4.953 -12.216 413 H ALA 52 HN ALA 52 -4.916 6.005 -10.320 414 HA ALA 52 HA ALA 52 -6.125 8.461 -9.733 415 HB1 ALA 52 HB1 ALA 52 -6.119 6.527 -7.422 416 HB2 ALA 52 HB2 ALA 52 -7.533 7.246 -8.192 417 HB3 ALA 52 HB3 ALA 52 -6.408 8.260 -7.288 418 H TYR 53 HN TYR 53 -4.852 9.536 -7.751 419 HA TYR 53 HA TYR 53 -2.036 9.131 -8.392 420 HB2 TYR 53 HB2 TYR 53 -3.621 11.372 -7.194 421 HB3 TYR 53 HB1 TYR 53 -1.885 11.293 -6.919 422 HD1 TYR 53 HD1 TYR 53 -0.538 10.737 -9.213 423 HD2 TYR 53 HD2 TYR 53 -4.290 12.722 -8.933 424 HE1 TYR 53 HE1 TYR 53 -0.134 11.796 -11.397 425 HE2 TYR 53 HE2 TYR 53 -3.898 13.785 -11.116 426 HH TYR 53 HH TYR 53 -1.436 12.793 -13.229 427 H TRP 54 HN TRP 54 -1.269 7.472 -7.209 428 HA TRP 54 HA TRP 54 -1.976 7.038 -4.475 429 HB2 TRP 54 HB2 TRP 54 0.490 5.800 -5.582 430 HB3 TRP 54 HB1 TRP 54 -0.822 5.070 -4.658 431 HD1 TRP 54 HD1 TRP 54 -3.252 4.931 -6.223 432 HE1 TRP 54 HE1 TRP 54 -3.452 4.068 -8.639 433 HE3 TRP 54 HE3 TRP 54 1.624 5.441 -7.671 434 HZ2 TRP 54 HZ2 TRP 54 -1.762 3.655 -10.865 435 HZ3 TRP 54 HZ3 TRP 54 2.250 4.790 -9.960 436 HH2 TRP 54 HH2 TRP 54 0.590 3.914 -11.522 437 H HIS 55 HN HIS 55 -1.452 9.159 -3.661 438 HA HIS 55 HA HIS 55 0.962 10.436 -3.644 439 HB2 HIS 55 HB2 HIS 55 -0.964 10.209 -1.321 440 HB3 HIS 55 HB1 HIS 55 0.286 11.437 -1.499 441 HD1 HIS 55 HD1 HIS 55 -0.109 13.271 -3.319 442 HD2 HIS 55 HD2 HIS 55 -3.290 10.658 -2.760 443 HE1 HIS 55 HE1 HIS 55 -2.073 14.351 -4.459 444 HE2 HIS 55 HE2 HIS 55 -3.972 12.723 -4.162 445 H TYR 56 HN TYR 56 2.801 10.400 -2.402 446 HA TYR 56 HA TYR 56 3.426 7.813 -1.230 447 HB2 TYR 56 HB2 TYR 56 5.185 10.219 -1.765 448 HB3 TYR 56 HB1 TYR 56 5.753 8.668 -1.158 449 HD1 TYR 56 HD1 TYR 56 3.304 7.670 -3.309 450 HD2 TYR 56 HD2 TYR 56 7.125 9.539 -3.421 451 HE1 TYR 56 HE1 TYR 56 3.614 6.888 -5.618 452 HE2 TYR 56 HE2 TYR 56 7.443 8.760 -5.731 453 HH TYR 56 HH TYR 56 4.926 7.510 -7.614 454 H TYR 57 HN TYR 57 3.546 7.421 0.875 455 HA TYR 57 HA TYR 57 3.421 9.719 2.714 456 HB2 TYR 57 HB1 TYR 57 2.007 7.072 2.791 457 HB3 TYR 57 HB2 TYR 57 2.286 7.981 4.272 458 HD1 TYR 57 HD1 TYR 57 1.158 10.097 4.668 459 HD2 TYR 57 HD2 TYR 57 0.432 7.862 1.122 460 HE1 TYR 57 HE1 TYR 57 -0.841 11.453 4.232 461 HE2 TYR 57 HE2 TYR 57 -1.573 9.213 0.675 462 HH TYR 57 HH TYR 57 -3.176 10.600 1.920 463 H ALA 58 HN ALA 58 4.688 9.725 4.512 464 HA ALA 58 HA ALA 58 6.815 7.704 4.580 465 HB1 ALA 58 HB1 ALA 58 7.539 10.028 4.317 466 HB2 ALA 58 HB2 ALA 58 8.108 9.345 5.839 467 HB3 ALA 58 HB3 ALA 58 6.735 10.451 5.828 468 H LEU 59 HN LEU 59 7.044 6.357 6.275 469 HA LEU 59 HA LEU 59 5.215 6.741 8.543 470 HB2 LEU 59 HB2 LEU 59 6.221 4.318 7.124 471 HB3 LEU 59 HB1 LEU 59 5.760 4.187 8.810 472 HG LEU 59 HG LEU 59 3.898 5.316 6.733 473 HD11 LEU 59 HD21 LEU 59 4.547 3.094 5.989 474 HD12 LEU 59 HD22 LEU 59 2.882 3.104 6.568 475 HD13 LEU 59 HD23 LEU 59 4.163 2.436 7.580 476 HD21 LEU 59 HD11 LEU 59 3.377 5.768 9.077 477 HD22 LEU 59 HD12 LEU 59 3.426 4.039 9.421 478 HD23 LEU 59 HD13 LEU 59 2.189 4.690 8.345 479 H SER 60 HN SER 60 5.954 6.587 10.609 480 HA SER 60 HA SER 60 8.753 7.112 11.004 481 HB2 SER 60 HB1 SER 60 6.499 6.795 13.000 482 HB3 SER 60 HB2 SER 60 8.127 7.349 13.391 483 HG SER 60 HG SER 60 6.041 8.709 12.267 484 H ASP 61 HN ASP 61 6.856 4.334 10.851 485 HA ASP 61 HA ASP 61 8.170 2.726 12.786 486 HB2 ASP 61 HB1 ASP 61 7.195 0.821 11.393 487 HB3 ASP 61 HB2 ASP 61 6.047 1.967 12.076 488 H GLY 62 HN GLY 62 9.013 3.796 9.623 489 HA2 GLY 62 HA2 GLY 62 11.447 3.591 9.160 490 HA3 GLY 62 HA1 GLY 62 11.291 1.905 9.629 491 H GLY 63 HN GLY 63 8.543 2.778 8.005 492 HA2 GLY 63 HA1 GLY 63 9.666 1.941 5.408 493 HA3 GLY 63 HA2 GLY 63 8.170 1.264 6.031 494 H PHE 64 HN PHE 64 6.812 1.967 4.436 495 HA PHE 64 HA PHE 64 5.744 4.552 4.634 496 HB2 PHE 64 HB1 PHE 64 6.475 5.619 2.626 497 HB3 PHE 64 HB2 PHE 64 7.926 5.081 3.464 498 HD1 PHE 64 HD2 PHE 64 9.082 3.001 2.680 499 HD2 PHE 64 HD1 PHE 64 5.967 4.870 0.465 500 HE1 PHE 64 HE2 PHE 64 9.792 1.785 0.663 501 HE2 PHE 64 HE1 PHE 64 6.670 3.657 -1.556 502 HZ PHE 64 HZ PHE 64 8.584 2.113 -1.458 503 H TYR 65 HN TYR 65 3.959 4.899 3.172 504 HA TYR 65 HA TYR 65 3.221 2.591 1.524 505 HB2 TYR 65 HB2 TYR 65 1.282 2.103 2.621 506 HB3 TYR 65 HB1 TYR 65 2.200 2.722 3.988 507 HD1 TYR 65 HD1 TYR 65 1.719 4.962 4.901 508 HD2 TYR 65 HD2 TYR 65 -0.605 3.294 1.750 509 HE1 TYR 65 HE1 TYR 65 -0.034 6.635 5.315 510 HE2 TYR 65 HE2 TYR 65 -2.362 4.966 2.154 511 HH TYR 65 HH TYR 65 -3.144 6.406 3.994 512 H MET 66 HN MET 66 1.493 3.025 -0.001 513 HA MET 66 HA MET 66 1.288 5.887 -0.706 514 HB2 MET 66 HB1 MET 66 1.116 3.625 -2.688 515 HB3 MET 66 HB2 MET 66 1.375 5.335 -3.005 516 HG2 MET 66 HG1 MET 66 3.565 5.026 -1.693 517 HG3 MET 66 HG2 MET 66 3.301 3.304 -1.955 518 HE1 MET 66 HE1 MET 66 3.094 3.318 -5.957 519 HE2 MET 66 HE2 MET 66 1.753 3.657 -4.863 520 HE3 MET 66 HE3 MET 66 2.858 2.325 -4.519 521 H ALA 67 HN ALA 67 -0.687 6.686 -1.288 522 HA ALA 67 HA ALA 67 -2.964 4.828 -1.269 523 HB1 ALA 67 HB1 ALA 67 -2.856 7.439 0.237 524 HB2 ALA 67 HB2 ALA 67 -2.818 5.828 0.952 525 HB3 ALA 67 HB3 ALA 67 -4.260 6.381 0.100 526 HA PRO 68 HA PRO 68 -3.850 6.953 -5.084 527 HB2 PRO 68 HB2 PRO 68 -6.577 5.884 -4.648 528 HB3 PRO 68 HB1 PRO 68 -5.489 5.665 -6.020 529 HG2 PRO 68 HG2 PRO 68 -5.948 3.684 -4.286 530 HG3 PRO 68 HG1 PRO 68 -4.350 3.925 -5.015 531 HD2 PRO 68 HD2 PRO 68 -5.310 4.624 -2.272 532 HD3 PRO 68 HD1 PRO 68 -3.735 3.988 -2.788 533 H ASP 69 HN ASP 69 -5.287 8.637 -5.863 534 HA ASP 69 HA ASP 69 -6.339 10.258 -3.658 535 HB2 ASP 69 HB2 ASP 69 -4.602 11.308 -5.039 536 HB3 ASP 69 HB1 ASP 69 -5.592 11.066 -6.475 537 H LEU 70 HN LEU 70 -8.363 9.283 -3.443 538 HA LEU 70 HA LEU 70 -10.277 10.092 -5.505 539 HB2 LEU 70 HB1 LEU 70 -10.115 7.312 -4.341 540 HB3 LEU 70 HB2 LEU 70 -11.455 7.908 -5.300 541 HG LEU 70 HG LEU 70 -8.611 7.674 -6.290 542 HD11 LEU 70 HD21 LEU 70 -10.993 5.901 -6.807 543 HD12 LEU 70 HD22 LEU 70 -9.575 5.478 -5.848 544 HD13 LEU 70 HD23 LEU 70 -9.415 5.764 -7.581 545 HD21 LEU 70 HD11 LEU 70 -9.603 8.053 -8.490 546 HD22 LEU 70 HD12 LEU 70 -9.886 9.419 -7.412 547 HD23 LEU 70 HD13 LEU 70 -11.185 8.273 -7.740 548 H ALA 71 HN ALA 71 -11.654 11.386 -4.512 549 HA ALA 71 HA ALA 71 -12.211 11.027 -1.668 550 HB1 ALA 71 HB1 ALA 71 -12.992 13.272 -3.522 551 HB2 ALA 71 HB2 ALA 71 -11.588 13.257 -2.457 552 HB3 ALA 71 HB3 ALA 71 -13.213 13.243 -1.773 553 H GLY 72 HN GLY 72 -13.860 9.766 -1.122 554 HA2 GLY 72 HA1 GLY 72 -16.445 10.029 -1.302 555 HA3 GLY 72 HA2 GLY 72 -16.141 9.518 -2.956 556 H ARG 73 HN ARG 73 -17.563 7.731 -2.474 557 HA ARG 73 HA ARG 73 -16.478 5.697 -0.679 558 HB2 ARG 73 HB2 ARG 73 -19.114 5.783 -2.160 559 HB3 ARG 73 HB1 ARG 73 -18.630 4.549 -1.007 560 HG2 ARG 73 HG2 ARG 73 -18.529 6.249 0.757 561 HG3 ARG 73 HG1 ARG 73 -19.055 7.468 -0.407 562 HD2 ARG 73 HD1 ARG 73 -21.130 6.198 -0.769 563 HD3 ARG 73 HD2 ARG 73 -20.608 5.025 0.439 564 HE ARG 73 HE ARG 73 -20.565 7.561 1.612 565 HH11 ARG 73 HH11 ARG 73 -22.865 5.275 0.338 566 HH12 ARG 73 HH12 ARG 73 -24.150 5.793 1.376 567 HH21 ARG 73 HH21 ARG 73 -22.252 8.250 2.983 568 HH22 ARG 73 HH22 ARG 73 -23.802 7.485 2.880 569 H LEU 74 HN LEU 74 -14.889 4.624 -1.677 570 HA LEU 74 HA LEU 74 -15.118 3.889 -4.479 571 HB2 LEU 74 HB1 LEU 74 -12.917 3.354 -2.483 572 HB3 LEU 74 HB2 LEU 74 -12.840 2.998 -4.198 573 HG LEU 74 HG LEU 74 -13.123 5.768 -3.028 574 HD11 LEU 74 HD21 LEU 74 -10.795 6.073 -3.685 575 HD12 LEU 74 HD22 LEU 74 -10.713 4.390 -4.203 576 HD13 LEU 74 HD23 LEU 74 -10.955 4.777 -2.499 577 HD21 LEU 74 HD11 LEU 74 -12.606 4.842 -5.851 578 HD22 LEU 74 HD12 LEU 74 -12.623 6.517 -5.299 579 HD23 LEU 74 HD13 LEU 74 -14.102 5.558 -5.249 580 H GLU 75 HN GLU 75 -16.456 2.208 -4.840 581 HA GLU 75 HA GLU 75 -16.912 0.098 -3.032 582 HB2 GLU 75 HB2 GLU 75 -18.526 0.724 -4.761 583 HB3 GLU 75 HB1 GLU 75 -17.388 0.254 -6.016 584 HG2 GLU 75 HG1 GLU 75 -17.495 -2.045 -5.291 585 HG3 GLU 75 HG2 GLU 75 -18.572 -1.597 -3.971 586 H ILE 76 HN ILE 76 -14.907 -0.726 -2.414 587 HA ILE 76 HA ILE 76 -13.342 -2.069 -4.505 588 HB ILE 76 HB ILE 76 -12.618 -0.955 -1.826 589 HG12 ILE 76 HG12 ILE 76 -12.353 0.285 -4.028 590 HG13 ILE 76 HG11 ILE 76 -10.906 0.171 -3.032 591 HG21 ILE 76 HG21 ILE 76 -11.225 -3.209 -3.231 592 HG22 ILE 76 HG22 ILE 76 -11.740 -3.114 -1.548 593 HG23 ILE 76 HG23 ILE 76 -10.384 -2.137 -2.113 594 HD11 ILE 76 HD11 ILE 76 -11.498 -1.673 -5.330 595 HD12 ILE 76 HD12 ILE 76 -9.986 -1.510 -4.437 596 HD13 ILE 76 HD13 ILE 76 -10.547 -0.194 -5.468 597 H GLU 77 HN GLU 77 -14.101 -4.072 -4.764 598 HA GLU 77 HA GLU 77 -14.777 -5.678 -2.421 599 HB2 GLU 77 HB1 GLU 77 -15.556 -7.352 -4.139 600 HB3 GLU 77 HB2 GLU 77 -16.421 -5.822 -4.137 601 HG2 GLU 77 HG2 GLU 77 -15.132 -5.075 -6.062 602 HG3 GLU 77 HG1 GLU 77 -14.237 -6.594 -6.057 603 H VAL 78 HN VAL 78 -12.985 -6.428 -1.486 604 HA VAL 78 HA VAL 78 -10.642 -7.183 -2.942 605 HB VAL 78 HB VAL 78 -10.029 -8.212 -0.628 606 HG11 VAL 78 HG21 VAL 78 -9.338 -6.014 0.182 607 HG12 VAL 78 HG22 VAL 78 -10.434 -5.243 -0.965 608 HG13 VAL 78 HG23 VAL 78 -9.053 -6.170 -1.552 609 HG21 VAL 78 HG11 VAL 78 -11.211 -7.338 1.251 610 HG22 VAL 78 HG12 VAL 78 -12.346 -8.187 0.204 611 HG23 VAL 78 HG13 VAL 78 -12.294 -6.425 0.203 612 H ASN 79 HN ASN 79 -10.455 -8.998 -4.076 613 HA ASN 79 HA ASN 79 -12.173 -11.243 -3.686 614 HB2 ASN 79 HB2 ASN 79 -9.577 -11.320 -5.212 615 HB3 ASN 79 HB1 ASN 79 -11.058 -12.224 -5.519 616 HD21 ASN 79 HD21 ASN 79 -9.478 -9.135 -5.778 617 HD22 ASN 79 HD22 ASN 79 -10.558 -8.455 -6.944 618 H GLY 80 HN GLY 80 -8.991 -10.323 -2.626 619 HA2 GLY 80 HA1 GLY 80 -7.799 -12.648 -1.862 620 HA3 GLY 80 HA2 GLY 80 -7.674 -11.161 -0.939 621 H ASN 81 HN ASN 81 -10.473 -11.052 -0.195 622 HA ASN 81 HA ASN 81 -10.820 -13.492 1.376 623 HB2 ASN 81 HB1 ASN 81 -10.886 -12.457 3.458 624 HB3 ASN 81 HB2 ASN 81 -9.533 -11.656 2.669 625 HD21 ASN 81 HD21 ASN 81 -9.709 -9.516 2.080 626 HD22 ASN 81 HD22 ASN 81 -10.993 -8.503 2.634 627 H GLY 82 HN GLY 82 -12.123 -11.726 -0.841 628 HA2 GLY 82 HA2 GLY 82 -14.239 -11.321 -1.582 629 HA3 GLY 82 HA1 GLY 82 -14.744 -12.556 -0.443 630 H PHE 83 HN PHE 83 -13.199 -9.627 0.739 631 HA PHE 83 HA PHE 83 -15.653 -9.006 2.150 632 HB2 PHE 83 HB2 PHE 83 -13.654 -8.790 3.441 633 HB3 PHE 83 HB1 PHE 83 -12.911 -7.751 2.231 634 HD1 PHE 83 HD1 PHE 83 -16.028 -7.836 4.286 635 HD2 PHE 83 HD2 PHE 83 -12.822 -5.518 2.719 636 HE1 PHE 83 HE1 PHE 83 -16.898 -5.852 5.454 637 HE2 PHE 83 HE2 PHE 83 -13.684 -3.531 3.886 638 HZ PHE 83 HZ PHE 83 -15.724 -3.696 5.255 639 H ARG 84 HN ARG 84 -17.186 -8.087 0.965 640 HA ARG 84 HA ARG 84 -16.513 -6.037 -0.985 641 HB2 ARG 84 HB1 ARG 84 -18.175 -7.731 -1.589 642 HB3 ARG 84 HB2 ARG 84 -19.176 -7.254 -0.224 643 HG2 ARG 84 HG1 ARG 84 -19.483 -5.044 -1.219 644 HG3 ARG 84 HG2 ARG 84 -18.480 -5.526 -2.591 645 HD2 ARG 84 HD2 ARG 84 -20.068 -7.227 -3.215 646 HD3 ARG 84 HD1 ARG 84 -21.033 -6.906 -1.773 647 HE ARG 84 HE ARG 84 -20.930 -4.512 -3.091 648 HH11 ARG 84 HH11 ARG 84 -21.954 -7.743 -3.903 649 HH12 ARG 84 HH12 ARG 84 -23.166 -7.215 -5.022 650 HH21 ARG 84 HH21 ARG 84 -22.524 -3.809 -4.560 651 HH22 ARG 84 HH22 ARG 84 -23.490 -4.980 -5.396 652 H GLY 85 HN GLY 85 -16.262 -4.021 -0.310 653 HA2 GLY 85 HA1 GLY 85 -18.290 -2.702 1.217 654 HA3 GLY 85 HA2 GLY 85 -16.842 -2.982 2.173 655 H GLU 86 HN GLU 86 -18.203 -0.518 1.036 656 HA GLU 86 HA GLU 86 -16.277 0.554 -0.818 657 HB2 GLU 86 HB2 GLU 86 -18.545 1.888 0.671 658 HB3 GLU 86 HB1 GLU 86 -17.584 2.648 -0.590 659 HG2 GLU 86 HG1 GLU 86 -18.365 0.949 -2.182 660 HG3 GLU 86 HG2 GLU 86 -19.368 0.245 -0.914 661 H LEU 87 HN LEU 87 -14.434 1.510 -0.317 662 HA LEU 87 HA LEU 87 -14.090 2.596 2.403 663 HB2 LEU 87 HB1 LEU 87 -12.347 0.803 0.793 664 HB3 LEU 87 HB2 LEU 87 -11.560 2.023 1.772 665 HG LEU 87 HG LEU 87 -11.624 -0.046 2.988 666 HD11 LEU 87 HD21 LEU 87 -11.912 2.004 4.279 667 HD12 LEU 87 HD22 LEU 87 -12.773 0.652 5.015 668 HD13 LEU 87 HD23 LEU 87 -13.663 1.872 4.103 669 HD21 LEU 87 HD11 LEU 87 -13.720 -1.142 3.595 670 HD22 LEU 87 HD12 LEU 87 -13.499 -1.100 1.845 671 HD23 LEU 87 HD13 LEU 87 -14.616 0.024 2.620 672 H SER 88 HN SER 88 -12.201 4.155 2.500 673 HA SER 88 HA SER 88 -12.531 6.102 0.375 674 HB2 SER 88 HB2 SER 88 -12.571 6.869 2.709 675 HB3 SER 88 HB1 SER 88 -10.942 6.241 2.952 676 HG SER 88 HG SER 88 -11.217 8.577 2.422 677 H ALA 89 HN ALA 89 -10.618 7.157 -0.599 678 HA ALA 89 HA ALA 89 -8.937 5.336 -1.851 679 HB1 ALA 89 HB1 ALA 89 -8.418 8.274 -1.417 680 HB2 ALA 89 HB2 ALA 89 -9.397 7.586 -2.713 681 HB3 ALA 89 HB3 ALA 89 -7.668 7.251 -2.642 682 H ASP 90 HN ASP 90 -8.626 6.911 1.207 683 HA ASP 90 HA ASP 90 -5.824 6.335 1.512 684 HB2 ASP 90 HB1 ASP 90 -6.797 8.286 2.620 685 HB3 ASP 90 HB2 ASP 90 -7.894 7.246 3.523 686 H ALA 91 HN ALA 91 -8.778 5.201 3.177 687 HA ALA 91 HA ALA 91 -7.516 3.137 4.603 688 HB1 ALA 91 HB1 ALA 91 -9.746 2.306 5.064 689 HB2 ALA 91 HB2 ALA 91 -10.410 3.308 3.774 690 HB3 ALA 91 HB3 ALA 91 -9.707 4.064 5.205 691 H ALA 92 HN ALA 92 -8.356 3.337 1.293 692 HA ALA 92 HA ALA 92 -8.406 0.433 0.969 693 HB1 ALA 92 HB1 ALA 92 -9.043 0.889 -1.341 694 HB2 ALA 92 HB2 ALA 92 -8.834 2.618 -1.069 695 HB3 ALA 92 HB3 ALA 92 -10.106 1.738 -0.221 696 H GLY 93 HN GLY 93 -6.476 3.271 0.260 697 HA2 GLY 93 HA2 GLY 93 -4.615 2.098 -1.489 698 HA3 GLY 93 HA1 GLY 93 -4.311 3.497 -0.467 699 H ILE 94 HN ILE 94 -5.110 1.741 1.885 700 HA ILE 94 HA ILE 94 -2.487 0.986 2.662 701 HB ILE 94 HB ILE 94 -4.927 -0.156 3.979 702 HG12 ILE 94 HG12 ILE 94 -5.520 2.172 3.579 703 HG13 ILE 94 HG11 ILE 94 -5.174 1.927 5.286 704 HG21 ILE 94 HG21 ILE 94 -2.755 -0.808 4.830 705 HG22 ILE 94 HG22 ILE 94 -3.596 0.198 6.010 706 HG23 ILE 94 HG23 ILE 94 -2.301 0.885 5.030 707 HD11 ILE 94 HD11 ILE 94 -2.941 2.890 4.947 708 HD12 ILE 94 HD12 ILE 94 -4.242 4.011 4.543 709 HD13 ILE 94 HD13 ILE 94 -3.352 3.193 3.259 710 H VAL 95 HN VAL 95 -5.338 -0.840 1.654 711 HA VAL 95 HA VAL 95 -4.136 -3.406 1.885 712 HB VAL 95 HB VAL 95 -6.538 -2.638 0.223 713 HG11 VAL 95 HG21 VAL 95 -5.726 -5.255 1.485 714 HG12 VAL 95 HG22 VAL 95 -5.682 -4.869 -0.235 715 HG13 VAL 95 HG23 VAL 95 -7.227 -4.957 0.610 716 HG21 VAL 95 HG11 VAL 95 -6.415 -3.409 3.138 717 HG22 VAL 95 HG12 VAL 95 -7.888 -3.183 2.194 718 HG23 VAL 95 HG13 VAL 95 -6.817 -1.816 2.497 719 H ALA 96 HN ALA 96 -4.249 -0.983 -0.625 720 HA ALA 96 HA ALA 96 -3.644 -2.718 -2.799 721 HB1 ALA 96 HB1 ALA 96 -4.709 -0.530 -3.099 722 HB2 ALA 96 HB2 ALA 96 -3.238 -0.685 -4.058 723 HB3 ALA 96 HB3 ALA 96 -3.224 0.258 -2.567 724 H THR 97 HN THR 97 -1.655 -0.527 -0.814 725 HA THR 97 HA THR 97 0.770 -1.211 -2.158 726 HB THR 97 HB THR 97 0.663 0.933 -1.094 727 HG1 THR 97 HG1 THR 97 2.652 0.830 -0.276 728 HG21 THR 97 HG21 THR 97 0.320 -0.506 1.538 729 HG22 THR 97 HG22 THR 97 -0.970 0.323 0.666 730 HG23 THR 97 HG23 THR 97 0.402 1.238 1.292 731 H LEU 98 HN LEU 98 -0.784 -2.266 0.839 732 HA LEU 98 HA LEU 98 1.296 -3.770 1.912 733 HB2 LEU 98 HB2 LEU 98 -1.684 -3.977 2.091 734 HB3 LEU 98 HB1 LEU 98 -0.676 -5.198 2.840 735 HG LEU 98 HG LEU 98 -0.508 -2.246 3.451 736 HD11 LEU 98 HD21 LEU 98 -2.655 -3.147 4.162 737 HD12 LEU 98 HD22 LEU 98 -1.625 -2.807 5.553 738 HD13 LEU 98 HD23 LEU 98 -1.836 -4.467 4.996 739 HD21 LEU 98 HD11 LEU 98 0.832 -2.968 5.358 740 HD22 LEU 98 HD12 LEU 98 1.573 -3.458 3.834 741 HD23 LEU 98 HD13 LEU 98 0.710 -4.642 4.815 742 H PHE 99 HN PHE 99 -1.322 -4.881 -0.244 743 HA PHE 99 HA PHE 99 -0.517 -7.539 -0.448 744 HB2 PHE 99 HB1 PHE 99 -2.212 -5.718 -2.056 745 HB3 PHE 99 HB2 PHE 99 -1.631 -7.166 -2.870 746 HD1 PHE 99 HD1 PHE 99 -3.577 -5.944 0.026 747 HD2 PHE 99 HD2 PHE 99 -2.542 -9.283 -2.406 748 HE1 PHE 99 HE1 PHE 99 -5.361 -7.268 1.085 749 HE2 PHE 99 HE2 PHE 99 -4.326 -10.610 -1.352 750 HZ PHE 99 HZ PHE 99 -5.738 -9.602 0.396 751 H ALA 100 HN ALA 100 0.672 -4.693 -2.100 752 HA ALA 100 HA ALA 100 2.092 -6.026 -4.155 753 HB1 ALA 100 HB1 ALA 100 2.633 -3.322 -2.932 754 HB2 ALA 100 HB2 ALA 100 1.524 -3.648 -4.265 755 HB3 ALA 100 HB3 ALA 100 3.255 -3.911 -4.474 756 H LEU 101 HN LEU 101 3.004 -4.937 -0.915 757 HA LEU 101 HA LEU 101 5.742 -5.473 -1.047 758 HB2 LEU 101 HB2 LEU 101 3.900 -5.675 1.337 759 HB3 LEU 101 HB1 LEU 101 5.649 -5.609 1.416 760 HG LEU 101 HG LEU 101 3.870 -3.409 0.359 761 HD11 LEU 101 HD21 LEU 101 3.618 -3.683 2.760 762 HD12 LEU 101 HD22 LEU 101 4.525 -2.213 2.399 763 HD13 LEU 101 HD23 LEU 101 5.370 -3.655 2.964 764 HD21 LEU 101 HD11 LEU 101 5.909 -2.063 0.372 765 HD22 LEU 101 HD12 LEU 101 6.055 -3.443 -0.716 766 HD23 LEU 101 HD13 LEU 101 6.842 -3.477 0.862 767 H GLY 102 HN GLY 102 3.039 -7.575 -0.137 768 HA2 GLY 102 HA2 GLY 102 4.650 -9.794 0.604 769 HA3 GLY 102 HA1 GLY 102 2.931 -9.837 0.248 770 H GLN 103 HN GLN 103 3.751 -8.565 -2.475 771 HA GLN 103 HA GLN 103 3.996 -11.127 -3.806 772 HB2 GLN 103 HB2 GLN 103 2.402 -9.373 -4.586 773 HB3 GLN 103 HB1 GLN 103 3.780 -8.378 -5.038 774 HG2 GLN 103 HG2 GLN 103 4.461 -9.930 -6.702 775 HG3 GLN 103 HG1 GLN 103 3.306 -11.135 -6.136 776 HE21 GLN 103 HE22 GLN 103 3.743 -8.200 -7.927 777 HE22 GLN 103 HE21 GLN 103 2.178 -8.166 -8.654 778 H LEU 104 HN LEU 104 5.852 -8.103 -3.613 779 HA LEU 104 HA LEU 104 7.909 -8.861 -5.374 780 HB2 LEU 104 HB1 LEU 104 7.729 -6.870 -3.141 781 HB3 LEU 104 HB2 LEU 104 9.260 -7.160 -3.945 782 HG LEU 104 HG LEU 104 6.729 -6.231 -5.306 783 HD11 LEU 104 HD11 LEU 104 7.642 -4.512 -3.856 784 HD12 LEU 104 HD12 LEU 104 7.907 -4.098 -5.549 785 HD13 LEU 104 HD13 LEU 104 9.237 -4.728 -4.576 786 HD21 LEU 104 HD21 LEU 104 9.535 -6.566 -6.356 787 HD22 LEU 104 HD22 LEU 104 8.185 -5.855 -7.239 788 HD23 LEU 104 HD23 LEU 104 8.140 -7.557 -6.779 789 H ALA 105 HN ALA 105 7.474 -9.373 -1.918 790 HA ALA 105 HA ALA 105 10.061 -10.304 -1.331 791 HB1 ALA 105 HB1 ALA 105 9.073 -11.244 0.685 792 HB2 ALA 105 HB2 ALA 105 7.458 -11.032 0.008 793 HB3 ALA 105 HB3 ALA 105 8.449 -9.622 0.384 794 H ALA 106 HN ALA 106 7.177 -11.946 -2.523 795 HA ALA 106 HA ALA 106 8.537 -14.529 -2.463 796 HB1 ALA 106 HB1 ALA 106 5.714 -13.852 -3.268 797 HB2 ALA 106 HB2 ALA 106 6.224 -14.399 -1.671 798 HB3 ALA 106 HB3 ALA 106 6.380 -15.472 -3.062 799 H GLU 107 HN GLU 107 8.174 -11.963 -4.602 800 HA GLU 107 HA GLU 107 8.017 -13.527 -7.023 801 HB2 GLU 107 HB1 GLU 107 7.025 -11.281 -6.908 802 HB3 GLU 107 HB2 GLU 107 8.616 -10.591 -6.623 803 HG2 GLU 107 HG1 GLU 107 9.347 -11.345 -8.822 804 HG3 GLU 107 HG2 GLU 107 7.760 -12.057 -9.108 805 H ILE 108 HN ILE 108 10.504 -12.052 -5.059 806 HA ILE 108 HA ILE 108 12.559 -12.512 -7.061 807 HB ILE 108 HB ILE 108 14.113 -11.586 -5.384 808 HG12 ILE 108 HG12 ILE 108 11.633 -11.222 -3.686 809 HG13 ILE 108 HG11 ILE 108 12.904 -12.400 -3.375 810 HG21 ILE 108 HG21 ILE 108 11.639 -9.930 -5.859 811 HG22 ILE 108 HG22 ILE 108 13.008 -10.101 -6.957 812 HG23 ILE 108 HG23 ILE 108 13.221 -9.300 -5.400 813 HD11 ILE 108 HD11 ILE 108 13.134 -10.450 -1.950 814 HD12 ILE 108 HD12 ILE 108 13.239 -9.412 -3.372 815 HD13 ILE 108 HD13 ILE 108 14.505 -10.597 -3.050 816 H ALA 109 HN ALA 109 10.984 -14.680 -5.564 817 HA ALA 109 HA ALA 109 11.359 -16.784 -4.784 818 HB1 ALA 109 HB1 ALA 109 14.161 -16.315 -5.800 819 HB2 ALA 109 HB2 ALA 109 12.811 -16.933 -6.750 820 HB3 ALA 109 HB3 ALA 109 13.446 -17.877 -5.403 821 H ASP 110 HN ASP 110 13.297 -18.055 -3.445 822 HA ASP 110 HA ASP 110 13.274 -16.740 -0.909 823 HB2 ASP 110 HB2 ASP 110 14.598 -18.756 -0.173 824 HB3 ASP 110 HB1 ASP 110 13.041 -19.119 -0.912 825 H THR 111 HN THR 111 14.500 -14.921 -0.880 826 HA THR 111 HA THR 111 17.399 -15.311 -1.126 827 HB THR 111 HB THR 111 17.637 -13.088 -2.182 828 HG1 THR 111 HG1 THR 111 15.248 -12.699 -3.202 829 HG21 THR 111 HG21 THR 111 15.866 -14.995 -3.715 830 HG22 THR 111 HG22 THR 111 17.624 -15.086 -3.589 831 HG23 THR 111 HG23 THR 111 16.867 -13.728 -4.423 832 H ASP 112 HN ASP 112 18.624 -13.481 -0.102 833 HA ASP 112 HA ASP 112 17.749 -13.105 2.549 834 HB2 ASP 112 HB2 ASP 112 19.940 -11.696 1.010 835 HB3 ASP 112 HB1 ASP 112 19.716 -11.597 2.754 836 H ALA 113 HN ALA 113 17.190 -11.323 -0.336 837 HA ALA 113 HA ALA 113 16.437 -8.888 1.060 838 HB1 ALA 113 HB1 ALA 113 16.243 -9.575 -1.870 839 HB2 ALA 113 HB2 ALA 113 17.590 -8.740 -1.097 840 HB3 ALA 113 HB3 ALA 113 16.000 -7.981 -1.155 841 H ALA 114 HN ALA 114 14.987 -11.810 0.202 842 HA ALA 114 HA ALA 114 12.336 -10.860 -0.308 843 HB1 ALA 114 HB1 ALA 114 11.683 -13.201 -0.155 844 HB2 ALA 114 HB2 ALA 114 13.269 -13.612 0.497 845 HB3 ALA 114 HB3 ALA 114 13.123 -13.018 -1.157 846 H ASP 115 HN ASP 115 14.180 -10.981 2.445 847 HA ASP 115 HA ASP 115 11.809 -11.138 4.184 848 HB2 ASP 115 HB1 ASP 115 13.443 -12.941 4.608 849 HB3 ASP 115 HB2 ASP 115 14.690 -11.732 4.903 850 H ALA 116 HN ALA 116 14.244 -9.150 2.944 851 HA ALA 116 HA ALA 116 14.480 -7.356 5.169 852 HB1 ALA 116 HB1 ALA 116 15.729 -5.938 3.627 853 HB2 ALA 116 HB2 ALA 116 15.239 -6.960 2.275 854 HB3 ALA 116 HB3 ALA 116 16.287 -7.609 3.537 855 H LEU 117 HN LEU 117 12.836 -7.235 2.011 856 HA LEU 117 HA LEU 117 11.601 -4.726 2.505 857 HB2 LEU 117 HB2 LEU 117 10.493 -5.001 0.464 858 HB3 LEU 117 HB1 LEU 117 12.017 -5.831 0.245 859 HG LEU 117 HG LEU 117 10.459 -7.219 -0.787 860 HD11 LEU 117 HD21 LEU 117 10.485 -9.249 0.428 861 HD12 LEU 117 HD22 LEU 117 10.582 -8.404 1.970 862 HD13 LEU 117 HD23 LEU 117 11.953 -8.376 0.863 863 HD21 LEU 117 HD11 LEU 117 8.429 -6.171 -0.041 864 HD22 LEU 117 HD12 LEU 117 8.656 -6.804 1.590 865 HD23 LEU 117 HD13 LEU 117 8.329 -7.907 0.253 866 H ILE 118 HN ILE 118 10.988 -7.873 3.588 867 HA ILE 118 HA ILE 118 8.194 -7.853 3.885 868 HB ILE 118 HB ILE 118 10.413 -9.321 5.278 869 HG12 ILE 118 HG12 ILE 118 9.751 -10.037 3.029 870 HG13 ILE 118 HG11 ILE 118 9.357 -11.269 4.224 871 HG21 ILE 118 HG21 ILE 118 7.483 -9.580 5.951 872 HG22 ILE 118 HG22 ILE 118 8.718 -8.876 6.994 873 HG23 ILE 118 HG23 ILE 118 8.790 -10.588 6.574 874 HD11 ILE 118 HD11 ILE 118 7.583 -11.029 2.591 875 HD12 ILE 118 HD12 ILE 118 7.421 -9.319 2.996 876 HD13 ILE 118 HD13 ILE 118 7.025 -10.551 4.195 877 H ASP 119 HN ASP 119 10.784 -6.461 5.751 878 HA ASP 119 HA ASP 119 9.544 -5.957 8.171 879 HB2 ASP 119 HB2 ASP 119 11.805 -4.848 6.672 880 HB3 ASP 119 HB1 ASP 119 11.053 -3.692 7.766 881 H ARG 120 HN ARG 120 9.489 -4.021 5.199 882 HA ARG 120 HA ARG 120 8.052 -1.836 6.158 883 HB2 ARG 120 HB1 ARG 120 8.215 -3.071 3.413 884 HB3 ARG 120 HB2 ARG 120 7.313 -1.597 3.728 885 HG2 ARG 120 HG1 ARG 120 9.444 -0.980 2.881 886 HG3 ARG 120 HG2 ARG 120 9.415 -0.578 4.598 887 HD2 ARG 120 HD2 ARG 120 10.680 -2.572 5.123 888 HD3 ARG 120 HD1 ARG 120 10.633 -3.080 3.435 889 HE ARG 120 HE ARG 120 11.865 -0.800 3.127 890 HH11 ARG 120 HH11 ARG 120 12.289 -3.103 5.707 891 HH12 ARG 120 HH12 ARG 120 13.949 -2.688 5.978 892 HH21 ARG 120 HH21 ARG 120 14.049 -0.250 3.474 893 HH22 ARG 120 HH22 ARG 120 14.949 -1.066 4.708 894 H TYR 121 HN TYR 121 6.932 -4.945 4.933 895 HA TYR 121 HA TYR 121 4.202 -4.352 4.755 896 HB2 TYR 121 HB2 TYR 121 5.313 -6.401 3.841 897 HB3 TYR 121 HB1 TYR 121 5.423 -7.022 5.484 898 HD1 TYR 121 HD2 TYR 121 3.184 -7.250 6.784 899 HD2 TYR 121 HD1 TYR 121 3.434 -6.869 2.555 900 HE1 TYR 121 HE2 TYR 121 0.938 -8.229 6.568 901 HE2 TYR 121 HE1 TYR 121 1.189 -7.843 2.326 902 HH TYR 121 HH TYR 121 -0.918 -8.242 4.954 903 H HIS 122 HN HIS 122 6.026 -5.850 7.417 904 HA HIS 122 HA HIS 122 3.839 -6.019 9.192 905 HB2 HIS 122 HB2 HIS 122 6.822 -6.034 9.641 906 HB3 HIS 122 HB1 HIS 122 5.665 -6.237 10.952 907 HD1 HIS 122 HD1 HIS 122 4.859 -8.553 11.371 908 HD2 HIS 122 HD2 HIS 122 6.599 -8.150 7.618 909 HE1 HIS 122 HE1 HIS 122 4.961 -10.880 10.424 910 HE2 HIS 122 HE2 HIS 122 6.048 -10.617 8.165 911 H PHE 123 HN PHE 123 6.149 -3.472 8.515 912 HA PHE 123 HA PHE 123 5.652 -1.905 10.812 913 HB2 PHE 123 HB1 PHE 123 6.784 -1.294 8.095 914 HB3 PHE 123 HB2 PHE 123 6.513 -0.013 9.270 915 HD1 PHE 123 HD2 PHE 123 7.271 -1.348 11.782 916 HD2 PHE 123 HD1 PHE 123 9.088 -1.469 7.936 917 HE1 PHE 123 HE2 PHE 123 9.441 -1.845 12.828 918 HE2 PHE 123 HE1 PHE 123 11.262 -1.966 8.975 919 HZ PHE 123 HZ PHE 123 11.440 -2.155 11.424 920 H LEU 124 HN LEU 124 4.375 -1.643 7.494 921 HA LEU 124 HA LEU 124 2.592 0.474 8.093 922 HB2 LEU 124 HB2 LEU 124 3.280 0.132 5.831 923 HB3 LEU 124 HB1 LEU 124 2.692 -1.520 5.837 924 HG LEU 124 HG LEU 124 0.371 -0.656 6.029 925 HD11 LEU 124 HD21 LEU 124 -0.032 1.726 5.573 926 HD12 LEU 124 HD22 LEU 124 1.704 2.025 5.672 927 HD13 LEU 124 HD23 LEU 124 0.821 1.471 7.095 928 HD21 LEU 124 HD11 LEU 124 0.208 0.141 3.723 929 HD22 LEU 124 HD12 LEU 124 1.299 -1.238 3.856 930 HD23 LEU 124 HD13 LEU 124 1.953 0.390 3.685 931 H ARG 125 HN ARG 125 2.165 -3.031 7.847 932 HA ARG 125 HA ARG 125 -0.547 -3.277 8.094 933 HB2 ARG 125 HB2 ARG 125 1.000 -5.171 7.800 934 HB3 ARG 125 HB1 ARG 125 1.518 -5.001 9.471 935 HG2 ARG 125 HG2 ARG 125 -0.708 -5.558 10.250 936 HG3 ARG 125 HG1 ARG 125 -1.285 -5.653 8.584 937 HD2 ARG 125 HD2 ARG 125 0.261 -7.498 8.155 938 HD3 ARG 125 HD1 ARG 125 0.839 -7.402 9.817 939 HE ARG 125 HE ARG 125 -1.869 -7.755 10.025 940 HH11 ARG 125 HH11 ARG 125 0.761 -9.488 8.537 941 HH12 ARG 125 HH12 ARG 125 0.018 -11.041 8.730 942 HH21 ARG 125 HH21 ARG 125 -2.856 -9.795 10.284 943 HH22 ARG 125 HH22 ARG 125 -2.038 -11.215 9.722 944 H GLY 126 HN GLY 126 1.765 -2.530 10.656 945 HA2 GLY 126 HA2 GLY 126 -0.121 -2.802 12.785 946 HA3 GLY 126 HA1 GLY 126 1.457 -2.036 12.882 947 H PHE 127 HN PHE 127 0.852 -0.162 10.692 948 HA PHE 127 HA PHE 127 -0.272 1.919 12.267 949 HB2 PHE 127 HB2 PHE 127 1.422 2.436 10.621 950 HB3 PHE 127 HB1 PHE 127 0.425 1.780 9.328 951 HD1 PHE 127 HD1 PHE 127 -0.089 4.248 12.087 952 HD2 PHE 127 HD2 PHE 127 -0.406 3.380 7.934 953 HE1 PHE 127 HE1 PHE 127 -1.055 6.478 11.699 954 HE2 PHE 127 HE2 PHE 127 -1.371 5.608 7.537 955 HZ PHE 127 HZ PHE 127 -1.696 7.159 9.421 956 H ALA 128 HN ALA 128 -1.515 -0.266 9.854 957 HA ALA 128 HA ALA 128 -3.876 1.077 9.171 958 HB1 ALA 128 HB1 ALA 128 -3.032 -0.826 7.905 959 HB2 ALA 128 HB2 ALA 128 -4.691 -1.110 8.430 960 HB3 ALA 128 HB3 ALA 128 -3.355 -1.892 9.274 961 H ALA 129 HN ALA 129 -2.967 -0.637 12.030 962 HA ALA 129 HA ALA 129 -5.622 -1.195 12.948 963 HB1 ALA 129 HB1 ALA 129 -3.031 -1.099 14.491 964 HB2 ALA 129 HB2 ALA 129 -3.701 -2.519 13.686 965 HB3 ALA 129 HB3 ALA 129 -4.551 -1.797 15.052 966 H GLY 130 HN GLY 130 -3.479 1.525 13.086 967 HA2 GLY 130 HA1 GLY 130 -4.846 2.809 15.284 968 HA3 GLY 130 HA2 GLY 130 -3.571 3.505 14.296 969 H HIS 131 HN HIS 131 -5.542 2.396 12.039 970 HA HIS 131 HA HIS 131 -6.733 4.979 11.570 971 HB2 HIS 131 HB2 HIS 131 -6.388 2.459 10.027 972 HB3 HIS 131 HB1 HIS 131 -7.728 3.507 9.568 973 HD1 HIS 131 HD1 HIS 131 -6.950 6.094 9.068 974 HD2 HIS 131 HD2 HIS 131 -4.029 3.143 8.890 975 HE1 HIS 131 HE1 HIS 131 -5.057 7.099 7.753 976 HE2 HIS 131 HE2 HIS 131 -3.360 5.250 7.548 977 HA PRO 132 HA PRO 132 -10.721 4.250 13.326 978 HB2 PRO 132 HB2 PRO 132 -11.864 5.730 11.040 979 HB3 PRO 132 HB1 PRO 132 -11.928 6.103 12.765 980 HG2 PRO 132 HG1 PRO 132 -10.401 7.526 11.084 981 HG3 PRO 132 HG2 PRO 132 -9.883 7.180 12.744 982 HD2 PRO 132 HD2 PRO 132 -9.030 5.889 10.181 983 HD3 PRO 132 HD1 PRO 132 -8.056 6.331 11.600 984 H GLU 133 HN GLU 133 -10.015 3.484 10.025 985 HA GLU 133 HA GLU 133 -12.376 1.741 9.853 986 HB2 GLU 133 HB1 GLU 133 -10.577 2.955 7.775 987 HB3 GLU 133 HB2 GLU 133 -11.590 1.569 7.394 988 HG2 GLU 133 HG2 GLU 133 -13.528 2.761 7.548 989 HG3 GLU 133 HG1 GLU 133 -12.849 3.927 8.680 990 H ALA 134 HN ALA 134 -9.610 1.396 11.183 991 HA ALA 134 HA ALA 134 -7.988 -0.446 10.080 992 HB1 ALA 134 HB1 ALA 134 -7.703 0.429 12.348 993 HB2 ALA 134 HB2 ALA 134 -7.558 -1.327 12.313 994 HB3 ALA 134 HB3 ALA 134 -9.040 -0.577 12.904 995 H ALA 135 HN ALA 135 -11.106 -1.165 11.623 996 HA ALA 135 HA ALA 135 -11.139 -3.889 11.484 997 HB1 ALA 135 HB1 ALA 135 -13.566 -3.752 11.426 998 HB2 ALA 135 HB2 ALA 135 -13.470 -2.063 10.927 999 HB3 ALA 135 HB3 ALA 135 -12.898 -2.544 12.524 1000 H ALA 136 HN ALA 136 -12.109 -1.647 8.887 1001 HA ALA 136 HA ALA 136 -12.720 -3.751 7.054 1002 HB1 ALA 136 HB1 ALA 136 -12.211 -0.833 6.499 1003 HB2 ALA 136 HB2 ALA 136 -13.771 -1.546 6.911 1004 HB3 ALA 136 HB3 ALA 136 -12.970 -1.987 5.403 1005 H ILE 137 HN ILE 137 -9.895 -1.701 7.584 1006 HA ILE 137 HA ILE 137 -8.486 -2.418 5.266 1007 HB ILE 137 HB ILE 137 -7.445 -1.457 7.925 1008 HG12 ILE 137 HG12 ILE 137 -7.900 0.057 5.348 1009 HG13 ILE 137 HG11 ILE 137 -9.049 0.026 6.681 1010 HG21 ILE 137 HG21 ILE 137 -5.421 -0.817 6.675 1011 HG22 ILE 137 HG22 ILE 137 -6.062 -1.639 5.251 1012 HG23 ILE 137 HG23 ILE 137 -5.673 -2.562 6.703 1013 HD11 ILE 137 HD11 ILE 137 -6.242 1.098 6.789 1014 HD12 ILE 137 HD12 ILE 137 -7.377 1.047 8.139 1015 HD13 ILE 137 HD13 ILE 137 -7.727 2.048 6.729 1016 H TYR 138 HN TYR 138 -8.121 -3.707 8.601 1017 HA TYR 138 HA TYR 138 -6.083 -5.526 7.896 1018 HB2 TYR 138 HB2 TYR 138 -6.093 -6.193 10.085 1019 HB3 TYR 138 HB1 TYR 138 -6.911 -4.645 10.249 1020 HD1 TYR 138 HD2 TYR 138 -9.308 -4.546 10.707 1021 HD2 TYR 138 HD1 TYR 138 -7.274 -8.270 10.433 1022 HE1 TYR 138 HE2 TYR 138 -11.215 -5.661 11.792 1023 HE2 TYR 138 HE1 TYR 138 -9.173 -9.397 11.516 1024 HH TYR 138 HH TYR 138 -12.194 -7.914 11.933 1025 H ARG 139 HN ARG 139 -9.591 -5.819 7.964 1026 HA ARG 139 HA ARG 139 -9.587 -8.650 7.544 1027 HB2 ARG 139 HB2 ARG 139 -11.954 -8.466 7.250 1028 HB3 ARG 139 HB1 ARG 139 -11.499 -7.371 8.548 1029 HG2 ARG 139 HG2 ARG 139 -11.543 -5.504 6.914 1030 HG3 ARG 139 HG1 ARG 139 -12.156 -6.636 5.705 1031 HD2 ARG 139 HD1 ARG 139 -13.476 -5.871 8.305 1032 HD3 ARG 139 HD2 ARG 139 -14.001 -5.427 6.682 1033 HE ARG 139 HE ARG 139 -13.908 -8.208 6.811 1034 HH11 ARG 139 HH11 ARG 139 -15.685 -5.574 8.241 1035 HH12 ARG 139 HH12 ARG 139 -17.122 -6.507 8.488 1036 HH21 ARG 139 HH21 ARG 139 -15.797 -9.446 7.132 1037 HH22 ARG 139 HH22 ARG 139 -17.186 -8.708 7.858 1038 H ALA 140 HN ALA 140 -9.436 -5.831 5.545 1039 HA ALA 140 HA ALA 140 -10.142 -7.040 3.080 1040 HB1 ALA 140 HB1 ALA 140 -10.189 -4.616 3.421 1041 HB2 ALA 140 HB2 ALA 140 -9.182 -5.058 2.043 1042 HB3 ALA 140 HB3 ALA 140 -8.432 -4.606 3.573 1043 H ILE 141 HN ILE 141 -7.125 -6.710 4.848 1044 HA ILE 141 HA ILE 141 -5.619 -7.925 2.661 1045 HB ILE 141 HB ILE 141 -3.634 -7.552 4.069 1046 HG12 ILE 141 HG12 ILE 141 -5.536 -6.207 5.999 1047 HG13 ILE 141 HG11 ILE 141 -4.831 -7.801 6.253 1048 HG21 ILE 141 HG21 ILE 141 -4.345 -5.821 2.519 1049 HG22 ILE 141 HG22 ILE 141 -3.646 -5.103 3.969 1050 HG23 ILE 141 HG23 ILE 141 -5.396 -5.125 3.753 1051 HD11 ILE 141 HD11 ILE 141 -3.638 -6.095 7.499 1052 HD12 ILE 141 HD12 ILE 141 -3.305 -5.221 6.004 1053 HD13 ILE 141 HD13 ILE 141 -2.604 -6.817 6.267 1054 H ASP 142 HN ASP 142 -7.295 -8.866 5.443 1055 HA ASP 142 HA ASP 142 -5.719 -11.018 6.349 1056 HB2 ASP 142 HB1 ASP 142 -7.573 -10.058 7.658 1057 HB3 ASP 142 HB2 ASP 142 -8.723 -10.688 6.483 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -14.783 0.789 15.977 2 H2 MET 1 HT2 MET 1 -13.998 -0.709 15.974 3 H3 MET 1 HT3 MET 1 -13.124 0.702 15.653 4 HA MET 1 HA MET 1 -13.487 1.499 17.879 5 HB2 MET 1 HB2 MET 1 -15.686 0.367 18.166 6 HB3 MET 1 HB1 MET 1 -14.843 -1.168 18.332 7 HG2 MET 1 HG1 MET 1 -15.480 -0.275 20.495 8 HG3 MET 1 HG2 MET 1 -13.727 -0.357 20.334 9 HE1 MET 1 HE1 MET 1 -16.129 3.565 19.931 10 HE2 MET 1 HE2 MET 1 -16.872 1.993 20.229 11 HE3 MET 1 HE3 MET 1 -16.091 2.321 18.682 12 H ASN 2 HN ASN 2 -11.745 1.255 19.186 13 HA ASN 2 HA ASN 2 -10.351 -1.295 19.294 14 HB2 ASN 2 HB1 ASN 2 -8.161 -0.080 18.758 15 HB3 ASN 2 HB2 ASN 2 -9.231 -0.442 17.408 16 HD21 ASN 2 HD21 ASN 2 -9.858 2.118 19.703 17 HD22 ASN 2 HD22 ASN 2 -9.582 3.425 18.610 18 H THR 3 HN THR 3 -8.078 -0.653 20.543 19 HA THR 3 HA THR 3 -8.729 1.115 22.776 20 HB THR 3 HB THR 3 -9.491 -1.072 23.529 21 HG1 THR 3 HG1 THR 3 -7.786 -1.268 25.302 22 HG21 THR 3 HG21 THR 3 -7.939 -2.945 23.767 23 HG22 THR 3 HG22 THR 3 -6.662 -1.993 23.007 24 HG23 THR 3 HG23 THR 3 -8.084 -2.464 22.077 25 H GLU 4 HN GLU 4 -6.392 -0.646 20.898 26 HA GLU 4 HA GLU 4 -4.166 0.559 22.357 27 HB2 GLU 4 HB2 GLU 4 -4.105 -1.400 20.056 28 HB3 GLU 4 HB1 GLU 4 -2.737 -0.911 21.046 29 HG2 GLU 4 HG2 GLU 4 -5.154 -2.425 22.008 30 HG3 GLU 4 HG1 GLU 4 -3.567 -3.113 21.673 31 H GLU 5 HN GLU 5 -2.534 1.765 21.293 32 HA GLU 5 HA GLU 5 -3.035 2.728 18.603 33 HB2 GLU 5 HB2 GLU 5 -4.400 4.236 19.963 34 HB3 GLU 5 HB1 GLU 5 -3.013 4.597 20.980 35 HG2 GLU 5 HG1 GLU 5 -3.465 6.383 19.385 36 HG3 GLU 5 HG2 GLU 5 -1.884 5.653 19.118 37 H GLN 6 HN GLN 6 -1.132 2.662 17.616 38 HA GLN 6 HA GLN 6 1.321 2.653 19.155 39 HB2 GLN 6 HB1 GLN 6 2.411 2.047 17.083 40 HB3 GLN 6 HB2 GLN 6 0.969 1.063 17.294 41 HG2 GLN 6 HG2 GLN 6 -0.236 2.367 15.695 42 HG3 GLN 6 HG1 GLN 6 1.083 3.533 15.584 43 HE21 GLN 6 HE22 GLN 6 1.354 3.258 13.402 44 HE22 GLN 6 HE21 GLN 6 2.027 1.825 12.712 45 HA PRO 7 HA PRO 7 2.409 6.864 18.439 46 HB2 PRO 7 HB2 PRO 7 5.101 6.750 18.488 47 HB3 PRO 7 HB1 PRO 7 4.120 6.533 19.942 48 HG2 PRO 7 HG2 PRO 7 5.427 4.480 18.202 49 HG3 PRO 7 HG1 PRO 7 5.310 4.538 19.969 50 HD2 PRO 7 HD2 PRO 7 3.700 2.988 18.400 51 HD3 PRO 7 HD1 PRO 7 3.206 3.626 19.981 52 H VAL 8 HN VAL 8 3.450 4.430 16.337 53 HA VAL 8 HA VAL 8 4.810 5.980 14.396 54 HB VAL 8 HB VAL 8 3.356 3.360 14.020 55 HG11 VAL 8 HG21 VAL 8 3.778 4.539 11.911 56 HG12 VAL 8 HG22 VAL 8 4.749 3.073 12.048 57 HG13 VAL 8 HG23 VAL 8 5.489 4.650 12.323 58 HG21 VAL 8 HG11 VAL 8 5.551 2.326 14.304 59 HG22 VAL 8 HG12 VAL 8 5.082 3.230 15.743 60 HG23 VAL 8 HG13 VAL 8 6.260 3.910 14.621 61 H THR 9 HN THR 9 4.085 7.240 12.810 62 HA THR 9 HA THR 9 1.346 6.972 11.844 63 HB THR 9 HB THR 9 0.894 9.377 12.041 64 HG1 THR 9 HG1 THR 9 2.925 9.805 13.879 65 HG21 THR 9 HG21 THR 9 0.546 9.474 14.471 66 HG22 THR 9 HG22 THR 9 1.624 8.093 14.678 67 HG23 THR 9 HG23 THR 9 0.097 7.898 13.817 68 H ALA 10 HN ALA 10 1.092 7.551 9.724 69 HA ALA 10 HA ALA 10 3.507 7.954 8.205 70 HB1 ALA 10 HB1 ALA 10 1.792 6.417 7.398 71 HB2 ALA 10 HB2 ALA 10 2.061 7.724 6.244 72 HB3 ALA 10 HB3 ALA 10 0.640 7.748 7.289 73 H SER 11 HN SER 11 3.189 9.540 6.225 74 HA SER 11 HA SER 11 1.803 11.981 6.807 75 HB2 SER 11 HB2 SER 11 3.756 12.221 8.301 76 HB3 SER 11 HB1 SER 11 4.829 12.005 6.918 77 HG SER 11 HG SER 11 3.878 13.899 6.013 78 H LEU 12 HN LEU 12 2.124 13.607 5.101 79 HA LEU 12 HA LEU 12 2.541 12.284 2.545 80 HB2 LEU 12 HB2 LEU 12 0.522 13.690 3.026 81 HB3 LEU 12 HB1 LEU 12 1.576 15.090 3.080 82 HG LEU 12 HG LEU 12 2.185 14.738 0.733 83 HD11 LEU 12 HD11 LEU 12 1.049 13.065 -0.614 84 HD12 LEU 12 HD12 LEU 12 0.201 12.469 0.813 85 HD13 LEU 12 HD13 LEU 12 1.953 12.298 0.692 86 HD21 LEU 12 HD21 LEU 12 -0.791 14.767 1.208 87 HD22 LEU 12 HD22 LEU 12 0.028 15.312 -0.257 88 HD23 LEU 12 HD23 LEU 12 0.284 16.164 1.266 89 H VAL 13 HN VAL 13 4.421 12.375 1.545 90 HA VAL 13 HA VAL 13 6.516 14.131 2.394 91 HB VAL 13 HB VAL 13 6.427 12.353 -0.049 92 HG11 VAL 13 HG11 VAL 13 8.877 12.426 0.102 93 HG12 VAL 13 HG12 VAL 13 8.752 13.573 1.436 94 HG13 VAL 13 HG13 VAL 13 8.185 14.026 -0.170 95 HG21 VAL 13 HG21 VAL 13 6.012 11.068 1.975 96 HG22 VAL 13 HG22 VAL 13 7.442 11.771 2.732 97 HG23 VAL 13 HG23 VAL 13 7.615 10.711 1.333 98 H ALA 14 HN ALA 14 7.597 15.714 1.107 99 HA ALA 14 HA ALA 14 5.986 17.623 -0.072 100 HB1 ALA 14 HB1 ALA 14 8.269 18.042 0.736 101 HB2 ALA 14 HB2 ALA 14 8.020 18.654 -0.898 102 HB3 ALA 14 HB3 ALA 14 8.910 17.152 -0.644 103 H GLU 15 HN GLU 15 5.683 18.302 -2.232 104 HA GLU 15 HA GLU 15 5.070 16.218 -4.031 105 HB2 GLU 15 HB2 GLU 15 4.663 18.092 -5.659 106 HB3 GLU 15 HB1 GLU 15 3.782 18.218 -4.144 107 HG2 GLU 15 HG2 GLU 15 6.405 19.602 -4.458 108 HG3 GLU 15 HG1 GLU 15 4.943 20.306 -5.152 109 H ALA 16 HN ALA 16 7.868 18.294 -3.677 110 HA ALA 16 HA ALA 16 9.015 17.281 -6.169 111 HB1 ALA 16 HB1 ALA 16 9.136 19.690 -5.741 112 HB2 ALA 16 HB2 ALA 16 10.739 18.965 -5.863 113 HB3 ALA 16 HB3 ALA 16 10.077 19.379 -4.282 114 H GLN 17 HN GLN 17 8.883 16.309 -3.028 115 HA GLN 17 HA GLN 17 11.591 15.147 -3.104 116 HB2 GLN 17 HB2 GLN 17 9.785 15.667 -0.735 117 HB3 GLN 17 HB1 GLN 17 11.340 14.850 -0.647 118 HG2 GLN 17 HG2 GLN 17 10.894 17.686 -1.549 119 HG3 GLN 17 HG1 GLN 17 11.499 17.185 0.030 120 HE21 GLN 17 HE21 GLN 17 12.206 17.413 -3.374 121 HE22 GLN 17 HE22 GLN 17 13.917 17.215 -3.235 122 H ARG 18 HN ARG 18 8.270 14.479 -3.269 123 HA ARG 18 HA ARG 18 8.304 11.809 -2.272 124 HB2 ARG 18 HB1 ARG 18 6.086 11.621 -3.308 125 HB3 ARG 18 HB2 ARG 18 6.234 13.102 -2.373 126 HG2 ARG 18 HG1 ARG 18 6.633 14.357 -4.441 127 HG3 ARG 18 HG2 ARG 18 6.439 12.867 -5.367 128 HD2 ARG 18 HD2 ARG 18 4.327 14.010 -3.548 129 HD3 ARG 18 HD1 ARG 18 4.403 14.314 -5.282 130 HE ARG 18 HE ARG 18 4.396 11.524 -4.626 131 HH11 ARG 18 HH11 ARG 18 2.398 14.329 -5.148 132 HH12 ARG 18 HH12 ARG 18 1.002 13.411 -5.605 133 HH21 ARG 18 HH21 ARG 18 2.564 10.305 -5.231 134 HH22 ARG 18 HH22 ARG 18 1.097 11.124 -5.652 135 H LEU 19 HN LEU 19 9.044 13.300 -5.310 136 HA LEU 19 HA LEU 19 8.832 10.964 -6.927 137 HB2 LEU 19 HB2 LEU 19 10.140 12.297 -8.570 138 HB3 LEU 19 HB1 LEU 19 8.699 13.103 -7.981 139 HG LEU 19 HG LEU 19 10.436 14.164 -6.267 140 HD11 LEU 19 HD21 LEU 19 12.345 12.880 -7.093 141 HD12 LEU 19 HD22 LEU 19 12.575 14.609 -7.350 142 HD13 LEU 19 HD23 LEU 19 12.117 13.570 -8.700 143 HD21 LEU 19 HD11 LEU 19 10.066 15.054 -9.124 144 HD22 LEU 19 HD12 LEU 19 10.650 16.067 -7.804 145 HD23 LEU 19 HD13 LEU 19 9.008 15.426 -7.763 146 H ASP 20 HN ASP 20 11.280 12.286 -4.862 147 HA ASP 20 HA ASP 20 13.263 10.371 -5.857 148 HB2 ASP 20 HB2 ASP 20 13.900 12.788 -5.609 149 HB3 ASP 20 HB1 ASP 20 13.673 12.609 -3.871 150 H PHE 21 HN PHE 21 10.951 10.698 -3.464 151 HA PHE 21 HA PHE 21 12.226 9.568 -1.226 152 HB2 PHE 21 HB2 PHE 21 9.891 10.673 -1.395 153 HB3 PHE 21 HB1 PHE 21 9.339 9.073 -1.885 154 HD1 PHE 21 HD1 PHE 21 9.299 7.232 -0.328 155 HD2 PHE 21 HD2 PHE 21 10.646 11.088 0.862 156 HE1 PHE 21 HE1 PHE 21 9.134 6.557 2.031 157 HE2 PHE 21 HE2 PHE 21 10.483 10.420 3.225 158 HZ PHE 21 HZ PHE 21 9.727 8.152 3.811 159 H LEU 22 HN LEU 22 10.601 8.146 -4.013 160 HA LEU 22 HA LEU 22 10.557 5.493 -3.147 161 HB2 LEU 22 HB2 LEU 22 10.420 6.864 -5.766 162 HB3 LEU 22 HB1 LEU 22 10.877 5.171 -5.805 163 HG LEU 22 HG LEU 22 8.457 5.498 -6.127 164 HD11 LEU 22 HD11 LEU 22 9.293 3.426 -5.133 165 HD12 LEU 22 HD12 LEU 22 7.712 3.859 -4.482 166 HD13 LEU 22 HD13 LEU 22 9.168 4.144 -3.527 167 HD21 LEU 22 HD21 LEU 22 8.527 6.599 -3.321 168 HD22 LEU 22 HD22 LEU 22 7.074 6.249 -4.257 169 HD23 LEU 22 HD23 LEU 22 8.181 7.515 -4.788 170 HA PRO 23 HA PRO 23 14.877 4.858 -5.192 171 HB2 PRO 23 HB2 PRO 23 16.316 7.114 -5.772 172 HB3 PRO 23 HB1 PRO 23 15.308 6.270 -6.952 173 HG2 PRO 23 HG2 PRO 23 14.704 8.725 -5.351 174 HG3 PRO 23 HG1 PRO 23 14.329 8.370 -7.047 175 HD2 PRO 23 HD2 PRO 23 12.484 8.177 -5.082 176 HD3 PRO 23 HD1 PRO 23 12.471 7.119 -6.507 177 H THR 24 HN THR 24 13.956 7.139 -2.878 178 HA THR 24 HA THR 24 16.477 7.420 -1.531 179 HB THR 24 HB THR 24 13.647 8.158 -0.838 180 HG1 THR 24 HG1 THR 24 14.861 10.246 -0.630 181 HG21 THR 24 HG21 THR 24 14.641 7.322 1.236 182 HG22 THR 24 HG22 THR 24 14.420 9.071 1.294 183 HG23 THR 24 HG23 THR 24 16.023 8.393 1.010 184 H TYR 25 HN TYR 25 13.606 5.422 -1.206 185 HA TYR 25 HA TYR 25 15.073 3.756 0.737 186 HB2 TYR 25 HB1 TYR 25 12.985 5.080 1.557 187 HB3 TYR 25 HB2 TYR 25 12.072 3.862 0.671 188 HD1 TYR 25 HD2 TYR 25 14.549 4.314 3.394 189 HD2 TYR 25 HD1 TYR 25 11.674 1.738 1.609 190 HE1 TYR 25 HE2 TYR 25 14.716 2.803 5.326 191 HE2 TYR 25 HE1 TYR 25 11.832 0.218 3.537 192 HH TYR 25 HH TYR 25 13.432 -0.336 5.320 193 H PHE 26 HN PHE 26 12.066 3.386 -1.120 194 HA PHE 26 HA PHE 26 12.097 0.755 -1.671 195 HB2 PHE 26 HB2 PHE 26 10.935 3.084 -2.917 196 HB3 PHE 26 HB1 PHE 26 11.369 1.894 -4.139 197 HD1 PHE 26 HD2 PHE 26 9.444 2.376 -1.017 198 HD2 PHE 26 HD1 PHE 26 10.073 -0.024 -4.475 199 HE1 PHE 26 HE2 PHE 26 7.401 1.103 -0.502 200 HE2 PHE 26 HE1 PHE 26 8.033 -1.299 -3.967 201 HZ PHE 26 HZ PHE 26 6.694 -0.738 -1.978 202 H GLY 27 HN GLY 27 13.999 3.198 -3.323 203 HA2 GLY 27 HA2 GLY 27 16.248 2.533 -4.036 204 HA3 GLY 27 HA1 GLY 27 15.540 1.026 -4.599 205 HA PRO 28 HA PRO 28 15.485 4.704 -7.795 206 HB2 PRO 28 HB1 PRO 28 17.771 4.011 -9.180 207 HB3 PRO 28 HB2 PRO 28 17.680 5.299 -7.975 208 HG2 PRO 28 HG1 PRO 28 18.653 2.487 -7.680 209 HG3 PRO 28 HG2 PRO 28 19.318 3.982 -6.995 210 HD2 PRO 28 HD1 PRO 28 17.852 2.289 -5.515 211 HD3 PRO 28 HD2 PRO 28 17.748 4.049 -5.291 212 H ARG 29 HN ARG 29 15.898 1.316 -7.617 213 HA ARG 29 HA ARG 29 15.088 0.950 -10.401 214 HB2 ARG 29 HB1 ARG 29 16.916 -0.449 -9.787 215 HB3 ARG 29 HB2 ARG 29 16.109 -0.972 -8.315 216 HG2 ARG 29 HG2 ARG 29 16.084 -2.712 -10.021 217 HG3 ARG 29 HG1 ARG 29 14.451 -2.172 -9.627 218 HD2 ARG 29 HD1 ARG 29 14.697 -0.590 -11.628 219 HD3 ARG 29 HD2 ARG 29 16.078 -1.589 -12.080 220 HE ARG 29 HE ARG 29 13.392 -2.739 -11.715 221 HH11 ARG 29 HH11 ARG 29 16.280 -2.261 -13.604 222 HH12 ARG 29 HH12 ARG 29 15.812 -3.381 -14.840 223 HH21 ARG 29 HH21 ARG 29 12.766 -4.213 -13.337 224 HH22 ARG 29 HH22 ARG 29 13.813 -4.489 -14.688 225 H LEU 30 HN LEU 30 13.995 0.110 -7.089 226 HA LEU 30 HA LEU 30 11.705 -1.289 -7.918 227 HB2 LEU 30 HB2 LEU 30 12.677 -0.092 -5.365 228 HB3 LEU 30 HB1 LEU 30 11.018 -0.638 -5.466 229 HG LEU 30 HG LEU 30 11.890 -2.900 -6.140 230 HD11 LEU 30 HD21 LEU 30 14.078 -2.199 -6.957 231 HD12 LEU 30 HD22 LEU 30 14.236 -3.399 -5.675 232 HD13 LEU 30 HD23 LEU 30 14.534 -1.695 -5.329 233 HD21 LEU 30 HD11 LEU 30 12.749 -1.800 -3.467 234 HD22 LEU 30 HD12 LEU 30 12.598 -3.512 -3.861 235 HD23 LEU 30 HD13 LEU 30 11.170 -2.476 -3.869 236 H MET 31 HN MET 31 12.327 2.109 -7.375 237 HA MET 31 HA MET 31 10.055 3.326 -6.828 238 HB2 MET 31 HB2 MET 31 10.611 4.877 -8.910 239 HB3 MET 31 HB1 MET 31 11.631 4.840 -7.478 240 HG2 MET 31 HG2 MET 31 13.300 3.683 -8.525 241 HG3 MET 31 HG1 MET 31 12.213 2.949 -9.697 242 HE1 MET 31 HE1 MET 31 11.211 4.257 -11.795 243 HE2 MET 31 HE2 MET 31 11.537 5.956 -12.132 244 HE3 MET 31 HE3 MET 31 10.584 5.507 -10.719 245 H MET 32 HN MET 32 10.504 1.534 -9.820 246 HA MET 32 HA MET 32 7.785 2.250 -10.657 247 HB2 MET 32 HB1 MET 32 8.381 1.357 -12.842 248 HB3 MET 32 HB2 MET 32 9.572 2.543 -12.329 249 HG2 MET 32 HG1 MET 32 11.094 0.765 -11.684 250 HG3 MET 32 HG2 MET 32 9.894 -0.443 -12.141 251 HE1 MET 32 HE1 MET 32 11.590 -1.697 -13.709 252 HE2 MET 32 HE2 MET 32 12.849 -0.558 -13.233 253 HE3 MET 32 HE3 MET 32 12.568 -0.897 -14.940 254 H ARG 33 HN ARG 33 9.845 -0.470 -9.824 255 HA ARG 33 HA ARG 33 8.006 -2.521 -10.460 256 HB2 ARG 33 HB1 ARG 33 10.334 -2.470 -8.536 257 HB3 ARG 33 HB2 ARG 33 9.439 -3.923 -8.959 258 HG2 ARG 33 HG2 ARG 33 10.108 -3.687 -11.280 259 HG3 ARG 33 HG1 ARG 33 10.957 -2.189 -10.897 260 HD2 ARG 33 HD1 ARG 33 12.446 -4.172 -11.067 261 HD3 ARG 33 HD2 ARG 33 12.520 -3.356 -9.506 262 HE ARG 33 HE ARG 33 10.630 -5.423 -9.361 263 HH11 ARG 33 HH11 ARG 33 14.070 -4.963 -9.667 264 HH12 ARG 33 HH12 ARG 33 14.470 -6.448 -8.870 265 HH21 ARG 33 HH21 ARG 33 11.148 -7.381 -8.308 266 HH22 ARG 33 HH22 ARG 33 12.809 -7.823 -8.099 267 H GLY 34 HN GLY 34 8.204 -0.321 -7.806 268 HA2 GLY 34 HA2 GLY 34 6.463 -2.012 -6.160 269 HA3 GLY 34 HA1 GLY 34 7.322 -0.582 -5.613 270 H GLU 35 HN GLU 35 6.570 1.268 -7.540 271 HA GLU 35 HA GLU 35 4.095 2.129 -6.559 272 HB2 GLU 35 HB1 GLU 35 4.183 3.869 -8.200 273 HB3 GLU 35 HB2 GLU 35 5.825 3.584 -7.643 274 HG2 GLU 35 HG2 GLU 35 6.341 2.349 -9.639 275 HG3 GLU 35 HG1 GLU 35 4.667 2.460 -10.183 276 H ALA 36 HN ALA 36 4.948 0.253 -9.409 277 HA ALA 36 HA ALA 36 2.289 0.267 -10.486 278 HB1 ALA 36 HB1 ALA 36 4.271 0.021 -11.911 279 HB2 ALA 36 HB2 ALA 36 3.145 -1.322 -12.109 280 HB3 ALA 36 HB3 ALA 36 4.612 -1.535 -11.155 281 H LEU 37 HN LEU 37 4.109 -1.808 -8.338 282 HA LEU 37 HA LEU 37 2.406 -4.069 -8.486 283 HB2 LEU 37 HB2 LEU 37 4.798 -3.368 -7.193 284 HB3 LEU 37 HB1 LEU 37 3.685 -3.827 -5.924 285 HG LEU 37 HG LEU 37 5.064 -5.714 -6.671 286 HD11 LEU 37 HD11 LEU 37 2.828 -6.124 -5.773 287 HD12 LEU 37 HD12 LEU 37 3.266 -7.319 -6.994 288 HD13 LEU 37 HD13 LEU 37 2.155 -6.011 -7.399 289 HD21 LEU 37 HD21 LEU 37 3.681 -5.344 -9.323 290 HD22 LEU 37 HD22 LEU 37 4.748 -6.679 -8.887 291 HD23 LEU 37 HD23 LEU 37 5.385 -5.038 -8.993 292 H VAL 38 HN VAL 38 2.335 -1.150 -6.539 293 HA VAL 38 HA VAL 38 0.398 -2.181 -4.681 294 HB VAL 38 HB VAL 38 0.334 -0.025 -3.689 295 HG11 VAL 38 HG21 VAL 38 2.375 -1.281 -3.287 296 HG12 VAL 38 HG22 VAL 38 2.710 0.451 -3.320 297 HG13 VAL 38 HG23 VAL 38 3.120 -0.554 -4.711 298 HG21 VAL 38 HG11 VAL 38 0.039 1.302 -5.720 299 HG22 VAL 38 HG12 VAL 38 1.731 1.035 -6.143 300 HG23 VAL 38 HG13 VAL 38 1.317 1.962 -4.700 301 H TYR 39 HN TYR 39 0.309 -0.133 -7.556 302 HA TYR 39 HA TYR 39 -2.510 0.362 -7.337 303 HB2 TYR 39 HB2 TYR 39 -2.115 1.927 -8.894 304 HB3 TYR 39 HB1 TYR 39 -0.413 1.503 -8.756 305 HD1 TYR 39 HD1 TYR 39 0.579 -0.123 -10.371 306 HD2 TYR 39 HD2 TYR 39 -3.340 1.451 -10.867 307 HE1 TYR 39 HE1 TYR 39 0.614 -0.801 -12.735 308 HE2 TYR 39 HE2 TYR 39 -3.320 0.776 -13.232 309 HH TYR 39 HH TYR 39 -0.972 -1.318 -14.526 310 H ALA 40 HN ALA 40 -0.529 -2.121 -8.650 311 HA ALA 40 HA ALA 40 -2.227 -3.145 -10.640 312 HB1 ALA 40 HB1 ALA 40 -0.951 -5.210 -10.426 313 HB2 ALA 40 HB2 ALA 40 -0.266 -4.642 -8.904 314 HB3 ALA 40 HB3 ALA 40 0.118 -3.809 -10.410 315 H TRP 41 HN TRP 41 -2.057 -3.722 -7.159 316 HA TRP 41 HA TRP 41 -4.178 -5.686 -7.247 317 HB2 TRP 41 HB2 TRP 41 -2.722 -4.378 -4.943 318 HB3 TRP 41 HB1 TRP 41 -3.969 -5.606 -4.747 319 HD1 TRP 41 HD1 TRP 41 -0.303 -5.181 -5.624 320 HE1 TRP 41 HE1 TRP 41 0.785 -7.503 -5.830 321 HE3 TRP 41 HE3 TRP 41 -4.518 -8.079 -5.457 322 HZ2 TRP 41 HZ2 TRP 41 -0.030 -10.203 -5.914 323 HZ3 TRP 41 HZ3 TRP 41 -4.274 -10.523 -5.606 324 HH2 TRP 41 HH2 TRP 41 -2.075 -11.562 -5.831 325 H MET 42 HN MET 42 -3.803 -2.285 -6.574 326 HA MET 42 HA MET 42 -6.184 -1.781 -5.202 327 HB2 MET 42 HB1 MET 42 -4.311 -0.176 -5.454 328 HB3 MET 42 HB2 MET 42 -4.746 0.037 -7.143 329 HG2 MET 42 HG1 MET 42 -5.798 1.837 -6.272 330 HG3 MET 42 HG2 MET 42 -7.088 0.650 -6.095 331 HE1 MET 42 HE1 MET 42 -6.478 -1.091 -3.655 332 HE2 MET 42 HE2 MET 42 -8.004 -0.233 -3.871 333 HE3 MET 42 HE3 MET 42 -7.147 -0.133 -2.332 334 H ARG 43 HN ARG 43 -5.603 -2.425 -8.553 335 HA ARG 43 HA ARG 43 -8.250 -1.493 -9.344 336 HB2 ARG 43 HB2 ARG 43 -7.542 -2.079 -11.624 337 HB3 ARG 43 HB1 ARG 43 -6.395 -1.001 -10.841 338 HG2 ARG 43 HG1 ARG 43 -4.980 -2.964 -10.316 339 HG3 ARG 43 HG2 ARG 43 -6.101 -3.970 -11.237 340 HD2 ARG 43 HD1 ARG 43 -5.658 -2.629 -13.235 341 HD3 ARG 43 HD2 ARG 43 -4.539 -1.626 -12.312 342 HE ARG 43 HE ARG 43 -3.612 -4.186 -12.009 343 HH11 ARG 43 HH11 ARG 43 -4.284 -2.086 -14.708 344 HH12 ARG 43 HH12 ARG 43 -3.057 -2.778 -15.716 345 HH21 ARG 43 HH21 ARG 43 -1.995 -5.103 -13.329 346 HH22 ARG 43 HH22 ARG 43 -1.757 -4.493 -14.932 347 H ARG 44 HN ARG 44 -6.711 -4.366 -8.333 348 HA ARG 44 HA ARG 44 -8.522 -6.169 -9.684 349 HB2 ARG 44 HB2 ARG 44 -6.393 -6.572 -7.588 350 HB3 ARG 44 HB1 ARG 44 -7.418 -7.881 -8.160 351 HG2 ARG 44 HG2 ARG 44 -6.604 -7.438 -10.463 352 HG3 ARG 44 HG1 ARG 44 -5.488 -6.248 -9.792 353 HD2 ARG 44 HD2 ARG 44 -4.406 -7.962 -8.466 354 HD3 ARG 44 HD1 ARG 44 -5.569 -9.163 -9.025 355 HE ARG 44 HE ARG 44 -4.129 -7.891 -11.157 356 HH11 ARG 44 HH11 ARG 44 -4.059 -10.461 -8.805 357 HH12 ARG 44 HH12 ARG 44 -2.962 -11.440 -9.719 358 HH21 ARG 44 HH21 ARG 44 -2.685 -9.176 -12.367 359 HH22 ARG 44 HH22 ARG 44 -2.181 -10.710 -11.743 360 H LEU 45 HN LEU 45 -8.788 -4.163 -7.073 361 HA LEU 45 HA LEU 45 -10.537 -5.922 -5.532 362 HB2 LEU 45 HB2 LEU 45 -9.950 -3.053 -4.890 363 HB3 LEU 45 HB1 LEU 45 -10.479 -4.326 -3.817 364 HG LEU 45 HG LEU 45 -7.746 -4.142 -5.081 365 HD11 LEU 45 HD11 LEU 45 -8.084 -2.452 -3.367 366 HD12 LEU 45 HD12 LEU 45 -6.975 -3.701 -2.801 367 HD13 LEU 45 HD13 LEU 45 -8.647 -3.687 -2.241 368 HD21 LEU 45 HD21 LEU 45 -8.430 -6.452 -4.761 369 HD22 LEU 45 HD22 LEU 45 -8.863 -6.108 -3.087 370 HD23 LEU 45 HD23 LEU 45 -7.179 -6.009 -3.600 371 H CYS 46 HN CYS 46 -10.693 -3.291 -7.784 372 HA CYS 46 HA CYS 46 -13.619 -3.320 -7.542 373 HB2 CYS 46 HB2 CYS 46 -12.870 -1.242 -6.533 374 HB3 CYS 46 HB1 CYS 46 -11.876 -0.880 -7.940 375 HG CYS 46 HG CYS 46 -15.294 -0.913 -7.810 376 H GLU 47 HN GLU 47 -14.617 -3.752 -9.401 377 HA GLU 47 HA GLU 47 -13.150 -4.268 -11.778 378 HB2 GLU 47 HB1 GLU 47 -15.352 -4.712 -12.787 379 HB3 GLU 47 HB2 GLU 47 -15.167 -5.525 -11.240 380 HG2 GLU 47 HG2 GLU 47 -16.474 -3.752 -10.163 381 HG3 GLU 47 HG1 GLU 47 -16.683 -2.973 -11.731 382 H ARG 48 HN ARG 48 -14.790 -1.526 -10.501 383 HA ARG 48 HA ARG 48 -14.540 -0.097 -13.063 384 HB2 ARG 48 HB2 ARG 48 -16.096 0.802 -10.637 385 HB3 ARG 48 HB1 ARG 48 -16.205 1.425 -12.278 386 HG2 ARG 48 HG1 ARG 48 -17.274 -0.556 -13.044 387 HG3 ARG 48 HG2 ARG 48 -16.961 -1.383 -11.516 388 HD2 ARG 48 HD2 ARG 48 -18.759 0.999 -11.933 389 HD3 ARG 48 HD1 ARG 48 -19.269 -0.659 -11.618 390 HE ARG 48 HE ARG 48 -17.598 0.123 -9.532 391 HH11 ARG 48 HH11 ARG 48 -20.706 0.975 -10.853 392 HH12 ARG 48 HH12 ARG 48 -21.355 1.493 -9.334 393 HH21 ARG 48 HH21 ARG 48 -18.442 0.802 -7.526 394 HH22 ARG 48 HH22 ARG 48 -20.067 1.395 -7.441 395 H TYR 49 HN TYR 49 -12.197 -0.510 -11.786 396 HA TYR 49 HA TYR 49 -11.618 2.033 -10.422 397 HB2 TYR 49 HB2 TYR 49 -11.286 -0.350 -9.303 398 HB3 TYR 49 HB1 TYR 49 -9.777 -0.304 -10.210 399 HD1 TYR 49 HD2 TYR 49 -8.233 1.692 -9.847 400 HD2 TYR 49 HD1 TYR 49 -11.483 0.763 -7.273 401 HE1 TYR 49 HE2 TYR 49 -7.216 3.068 -8.078 402 HE2 TYR 49 HE1 TYR 49 -10.479 2.127 -5.494 403 HH TYR 49 HH TYR 49 -8.269 2.981 -4.849 404 H ASN 50 HN ASN 50 -11.055 3.274 -12.195 405 HA ASN 50 HA ASN 50 -9.328 2.338 -14.256 406 HB2 ASN 50 HB1 ASN 50 -9.963 5.203 -13.522 407 HB3 ASN 50 HB2 ASN 50 -9.353 4.619 -15.067 408 HD21 ASN 50 HD21 ASN 50 -11.062 2.255 -15.033 409 HD22 ASN 50 HD22 ASN 50 -12.654 2.813 -15.409 410 H GLY 51 HN GLY 51 -8.860 4.536 -11.492 411 HA2 GLY 51 HA2 GLY 51 -6.437 3.724 -10.613 412 HA3 GLY 51 HA1 GLY 51 -6.017 4.728 -11.994 413 H ALA 52 HN ALA 52 -4.889 5.834 -10.101 414 HA ALA 52 HA ALA 52 -6.169 8.273 -9.565 415 HB1 ALA 52 HB1 ALA 52 -6.020 6.466 -7.156 416 HB2 ALA 52 HB2 ALA 52 -7.502 6.897 -8.011 417 HB3 ALA 52 HB3 ALA 52 -6.565 8.143 -7.185 418 H TYR 53 HN TYR 53 -4.918 9.460 -7.665 419 HA TYR 53 HA TYR 53 -2.109 9.167 -8.327 420 HB2 TYR 53 HB2 TYR 53 -3.722 11.270 -6.908 421 HB3 TYR 53 HB1 TYR 53 -1.964 11.276 -6.840 422 HD1 TYR 53 HD1 TYR 53 -1.023 10.672 -9.421 423 HD2 TYR 53 HD2 TYR 53 -4.508 12.868 -8.367 424 HE1 TYR 53 HE1 TYR 53 -0.931 11.843 -11.585 425 HE2 TYR 53 HE2 TYR 53 -4.430 14.044 -10.526 426 HH TYR 53 HH TYR 53 -2.783 14.610 -12.258 427 H TRP 54 HN TRP 54 -1.361 7.408 -7.248 428 HA TRP 54 HA TRP 54 -1.910 6.871 -4.511 429 HB2 TRP 54 HB1 TRP 54 0.524 5.748 -5.810 430 HB3 TRP 54 HB2 TRP 54 -0.693 4.947 -4.818 431 HD1 TRP 54 HD1 TRP 54 -3.141 4.516 -6.125 432 HE1 TRP 54 HE1 TRP 54 -3.545 3.854 -8.579 433 HE3 TRP 54 HE3 TRP 54 1.373 5.892 -8.093 434 HZ2 TRP 54 HZ2 TRP 54 -2.137 3.906 -11.026 435 HZ3 TRP 54 HZ3 TRP 54 1.764 5.553 -10.498 436 HH2 TRP 54 HH2 TRP 54 0.043 4.579 -11.933 437 H HIS 55 HN HIS 55 -1.397 9.034 -3.717 438 HA HIS 55 HA HIS 55 1.024 10.299 -3.700 439 HB2 HIS 55 HB2 HIS 55 -0.863 10.078 -1.346 440 HB3 HIS 55 HB1 HIS 55 0.355 11.327 -1.583 441 HD1 HIS 55 HD1 HIS 55 -0.087 12.998 -3.619 442 HD2 HIS 55 HD2 HIS 55 -3.283 10.574 -2.532 443 HE1 HIS 55 HE1 HIS 55 -2.117 14.049 -4.670 444 HE2 HIS 55 HE2 HIS 55 -4.045 12.591 -3.959 445 H TYR 56 HN TYR 56 2.900 10.182 -2.574 446 HA TYR 56 HA TYR 56 3.508 7.619 -1.368 447 HB2 TYR 56 HB1 TYR 56 5.302 10.008 -1.863 448 HB3 TYR 56 HB2 TYR 56 5.833 8.402 -1.375 449 HD1 TYR 56 HD2 TYR 56 4.341 6.615 -3.093 450 HD2 TYR 56 HD1 TYR 56 6.082 10.384 -4.017 451 HE1 TYR 56 HE2 TYR 56 4.506 5.951 -5.455 452 HE2 TYR 56 HE1 TYR 56 6.249 9.734 -6.382 453 HH TYR 56 HH TYR 56 4.664 7.016 -7.661 454 H TYR 57 HN TYR 57 3.656 7.219 0.740 455 HA TYR 57 HA TYR 57 3.498 9.514 2.584 456 HB2 TYR 57 HB2 TYR 57 2.189 6.821 2.671 457 HB3 TYR 57 HB1 TYR 57 2.483 7.708 4.162 458 HD1 TYR 57 HD1 TYR 57 1.309 9.789 4.627 459 HD2 TYR 57 HD2 TYR 57 0.530 7.578 1.078 460 HE1 TYR 57 HE1 TYR 57 -0.749 11.085 4.280 461 HE2 TYR 57 HE2 TYR 57 -1.533 8.869 0.720 462 HH TYR 57 HH TYR 57 -3.136 10.184 2.046 463 H ALA 58 HN ALA 58 4.825 9.629 4.302 464 HA ALA 58 HA ALA 58 6.949 7.603 4.475 465 HB1 ALA 58 HB1 ALA 58 6.996 10.483 5.368 466 HB2 ALA 58 HB2 ALA 58 7.710 9.853 3.883 467 HB3 ALA 58 HB3 ALA 58 8.343 9.347 5.449 468 H LEU 59 HN LEU 59 6.423 6.170 6.022 469 HA LEU 59 HA LEU 59 4.966 6.949 8.379 470 HB2 LEU 59 HB2 LEU 59 6.009 4.412 7.239 471 HB3 LEU 59 HB1 LEU 59 5.670 4.453 8.959 472 HG LEU 59 HG LEU 59 3.594 5.348 6.991 473 HD11 LEU 59 HD21 LEU 59 4.313 3.171 6.192 474 HD12 LEU 59 HD22 LEU 59 2.711 3.072 6.924 475 HD13 LEU 59 HD23 LEU 59 4.124 2.499 7.811 476 HD21 LEU 59 HD11 LEU 59 2.077 4.591 8.750 477 HD22 LEU 59 HD12 LEU 59 3.218 5.794 9.350 478 HD23 LEU 59 HD13 LEU 59 3.459 4.087 9.723 479 H SER 60 HN SER 60 5.709 6.788 10.533 480 HA SER 60 HA SER 60 8.387 7.751 10.877 481 HB2 SER 60 HB1 SER 60 6.280 7.048 12.931 482 HB3 SER 60 HB2 SER 60 7.785 7.908 13.263 483 HG SER 60 HG SER 60 5.445 8.822 12.178 484 H ASP 61 HN ASP 61 7.183 4.667 10.574 485 HA ASP 61 HA ASP 61 9.102 3.499 12.453 486 HB2 ASP 61 HB2 ASP 61 6.690 2.687 12.290 487 HB3 ASP 61 HB1 ASP 61 7.135 1.991 10.734 488 H GLY 62 HN GLY 62 8.406 3.767 9.024 489 HA2 GLY 62 HA1 GLY 62 10.432 3.835 7.595 490 HA3 GLY 62 HA2 GLY 62 10.979 2.417 8.477 491 H GLY 63 HN GLY 63 7.645 2.394 7.917 492 HA2 GLY 63 HA2 GLY 63 7.910 0.186 6.074 493 HA3 GLY 63 HA1 GLY 63 6.413 0.816 6.745 494 H PHE 64 HN PHE 64 6.279 3.339 5.967 495 HA PHE 64 HA PHE 64 5.761 4.740 4.262 496 HB2 PHE 64 HB2 PHE 64 7.685 3.145 2.564 497 HB3 PHE 64 HB1 PHE 64 7.177 4.815 2.330 498 HD1 PHE 64 HD2 PHE 64 7.618 6.326 4.519 499 HD2 PHE 64 HD1 PHE 64 9.784 2.833 3.420 500 HE1 PHE 64 HE2 PHE 64 9.531 7.096 5.860 501 HE2 PHE 64 HE1 PHE 64 11.700 3.595 4.762 502 HZ PHE 64 HZ PHE 64 11.576 5.730 5.983 503 H TYR 65 HN TYR 65 3.916 4.738 3.176 504 HA TYR 65 HA TYR 65 3.253 2.409 1.521 505 HB2 TYR 65 HB2 TYR 65 1.241 1.978 2.538 506 HB3 TYR 65 HB1 TYR 65 2.176 2.515 3.927 507 HD1 TYR 65 HD2 TYR 65 1.788 4.761 4.895 508 HD2 TYR 65 HD1 TYR 65 -0.607 3.247 1.717 509 HE1 TYR 65 HE2 TYR 65 0.097 6.484 5.356 510 HE2 TYR 65 HE1 TYR 65 -2.303 4.969 2.171 511 HH TYR 65 HH TYR 65 -3.027 6.394 4.036 512 H MET 66 HN MET 66 1.299 2.841 0.129 513 HA MET 66 HA MET 66 1.261 5.652 -0.785 514 HB2 MET 66 HB2 MET 66 1.276 3.108 -2.416 515 HB3 MET 66 HB1 MET 66 0.893 4.687 -3.087 516 HG2 MET 66 HG2 MET 66 3.068 5.487 -2.723 517 HG3 MET 66 HG1 MET 66 3.473 4.143 -1.660 518 HE1 MET 66 HE1 MET 66 2.681 5.137 -5.443 519 HE2 MET 66 HE2 MET 66 1.491 3.914 -4.996 520 HE3 MET 66 HE3 MET 66 2.744 3.534 -6.178 521 H ALA 67 HN ALA 67 -0.687 6.518 -1.352 522 HA ALA 67 HA ALA 67 -3.053 4.778 -1.226 523 HB1 ALA 67 HB1 ALA 67 -2.793 5.830 0.967 524 HB2 ALA 67 HB2 ALA 67 -4.245 6.397 0.141 525 HB3 ALA 67 HB3 ALA 67 -2.809 7.420 0.205 526 HA PRO 68 HA PRO 68 -3.998 6.918 -5.013 527 HB2 PRO 68 HB2 PRO 68 -6.624 6.154 -5.176 528 HB3 PRO 68 HB1 PRO 68 -5.269 5.125 -5.648 529 HG2 PRO 68 HG1 PRO 68 -6.852 5.135 -3.111 530 HG3 PRO 68 HG2 PRO 68 -6.256 3.758 -4.056 531 HD2 PRO 68 HD2 PRO 68 -5.028 4.596 -1.806 532 HD3 PRO 68 HD1 PRO 68 -4.126 3.916 -3.175 533 H ASP 69 HN ASP 69 -5.418 8.617 -5.791 534 HA ASP 69 HA ASP 69 -6.397 10.286 -3.584 535 HB2 ASP 69 HB2 ASP 69 -4.642 11.265 -5.001 536 HB3 ASP 69 HB1 ASP 69 -5.671 11.061 -6.415 537 H LEU 70 HN LEU 70 -8.430 9.206 -3.405 538 HA LEU 70 HA LEU 70 -10.353 10.159 -5.409 539 HB2 LEU 70 HB2 LEU 70 -10.392 7.382 -4.225 540 HB3 LEU 70 HB1 LEU 70 -11.585 8.052 -5.317 541 HG LEU 70 HG LEU 70 -8.687 7.618 -6.045 542 HD11 LEU 70 HD11 LEU 70 -11.104 5.933 -6.684 543 HD12 LEU 70 HD12 LEU 70 -9.781 5.486 -5.606 544 HD13 LEU 70 HD13 LEU 70 -9.482 5.698 -7.332 545 HD21 LEU 70 HD21 LEU 70 -11.108 8.275 -7.719 546 HD22 LEU 70 HD22 LEU 70 -9.488 7.948 -8.334 547 HD23 LEU 70 HD23 LEU 70 -9.780 9.371 -7.334 548 H ALA 71 HN ALA 71 -11.564 11.558 -4.328 549 HA ALA 71 HA ALA 71 -12.100 11.167 -1.492 550 HB1 ALA 71 HB1 ALA 71 -11.402 13.378 -2.269 551 HB2 ALA 71 HB2 ALA 71 -13.010 13.425 -1.545 552 HB3 ALA 71 HB3 ALA 71 -12.831 13.467 -3.300 553 H GLY 72 HN GLY 72 -13.759 9.914 -0.959 554 HA2 GLY 72 HA2 GLY 72 -16.328 10.260 -0.987 555 HA3 GLY 72 HA1 GLY 72 -16.135 9.879 -2.691 556 H ARG 73 HN ARG 73 -17.757 8.210 -1.842 557 HA ARG 73 HA ARG 73 -16.445 5.927 -0.592 558 HB2 ARG 73 HB1 ARG 73 -18.774 4.990 -0.496 559 HB3 ARG 73 HB2 ARG 73 -18.533 6.464 0.429 560 HG2 ARG 73 HG2 ARG 73 -19.595 7.766 -1.323 561 HG3 ARG 73 HG1 ARG 73 -19.792 6.311 -2.302 562 HD2 ARG 73 HD1 ARG 73 -21.862 6.892 -1.142 563 HD3 ARG 73 HD2 ARG 73 -21.230 5.338 -0.598 564 HE ARG 73 HE ARG 73 -20.425 7.580 1.024 565 HH11 ARG 73 HH11 ARG 73 -22.839 5.126 0.491 566 HH12 ARG 73 HH12 ARG 73 -23.414 5.154 2.124 567 HH21 ARG 73 HH21 ARG 73 -21.174 7.624 3.177 568 HH22 ARG 73 HH22 ARG 73 -22.469 6.575 3.651 569 H LEU 74 HN LEU 74 -15.584 4.477 -1.832 570 HA LEU 74 HA LEU 74 -16.739 3.964 -4.492 571 HB2 LEU 74 HB1 LEU 74 -13.849 3.587 -3.727 572 HB3 LEU 74 HB2 LEU 74 -14.547 3.459 -5.330 573 HG LEU 74 HG LEU 74 -15.209 6.009 -4.738 574 HD11 LEU 74 HD11 LEU 74 -13.289 7.088 -3.679 575 HD12 LEU 74 HD12 LEU 74 -12.581 5.506 -3.352 576 HD13 LEU 74 HD13 LEU 74 -14.095 5.972 -2.577 577 HD21 LEU 74 HD21 LEU 74 -12.588 5.061 -5.888 578 HD22 LEU 74 HD22 LEU 74 -13.287 6.667 -6.103 579 HD23 LEU 74 HD23 LEU 74 -14.105 5.252 -6.766 580 H GLU 75 HN GLU 75 -17.441 1.963 -4.858 581 HA GLU 75 HA GLU 75 -17.373 -0.016 -2.827 582 HB2 GLU 75 HB1 GLU 75 -18.152 -0.250 -5.741 583 HB3 GLU 75 HB2 GLU 75 -18.468 -1.463 -4.508 584 HG2 GLU 75 HG2 GLU 75 -19.532 1.349 -4.437 585 HG3 GLU 75 HG1 GLU 75 -20.419 -0.042 -5.057 586 H ILE 76 HN ILE 76 -15.524 -1.003 -2.291 587 HA ILE 76 HA ILE 76 -13.810 -2.006 -4.467 588 HB ILE 76 HB ILE 76 -13.136 -0.894 -1.780 589 HG12 ILE 76 HG12 ILE 76 -12.955 0.275 -4.088 590 HG13 ILE 76 HG11 ILE 76 -11.608 0.420 -2.966 591 HG21 ILE 76 HG21 ILE 76 -11.537 -3.003 -3.212 592 HG22 ILE 76 HG22 ILE 76 -12.160 -3.051 -1.563 593 HG23 ILE 76 HG23 ILE 76 -10.860 -1.934 -1.984 594 HD11 ILE 76 HD11 ILE 76 -10.961 -0.008 -5.326 595 HD12 ILE 76 HD12 ILE 76 -11.724 -1.593 -5.195 596 HD13 ILE 76 HD13 ILE 76 -10.342 -1.193 -4.177 597 H GLU 77 HN GLU 77 -14.346 -4.053 -4.797 598 HA GLU 77 HA GLU 77 -14.956 -5.795 -2.539 599 HB2 GLU 77 HB2 GLU 77 -15.535 -7.465 -4.322 600 HB3 GLU 77 HB1 GLU 77 -16.502 -5.998 -4.347 601 HG2 GLU 77 HG1 GLU 77 -15.249 -5.142 -6.210 602 HG3 GLU 77 HG2 GLU 77 -14.138 -6.509 -6.136 603 H VAL 78 HN VAL 78 -13.071 -6.275 -1.556 604 HA VAL 78 HA VAL 78 -10.664 -6.890 -2.954 605 HB VAL 78 HB VAL 78 -10.035 -7.873 -0.617 606 HG11 VAL 78 HG21 VAL 78 -9.485 -5.622 0.179 607 HG12 VAL 78 HG22 VAL 78 -10.573 -4.935 -1.028 608 HG13 VAL 78 HG23 VAL 78 -9.129 -5.812 -1.537 609 HG21 VAL 78 HG11 VAL 78 -12.413 -6.202 0.140 610 HG22 VAL 78 HG12 VAL 78 -11.292 -7.020 1.229 611 HG23 VAL 78 HG13 VAL 78 -12.353 -7.964 0.185 612 H ASN 79 HN ASN 79 -10.656 -8.651 -4.258 613 HA ASN 79 HA ASN 79 -12.079 -11.026 -3.779 614 HB2 ASN 79 HB1 ASN 79 -10.625 -12.004 -5.510 615 HB3 ASN 79 HB2 ASN 79 -11.197 -10.409 -5.994 616 HD21 ASN 79 HD21 ASN 79 -9.738 -8.620 -5.763 617 HD22 ASN 79 HD22 ASN 79 -8.035 -8.878 -5.867 618 H GLY 80 HN GLY 80 -8.929 -9.887 -2.811 619 HA2 GLY 80 HA1 GLY 80 -7.557 -12.069 -2.004 620 HA3 GLY 80 HA2 GLY 80 -7.579 -10.581 -1.073 621 H ASN 81 HN ASN 81 -10.372 -10.728 -0.350 622 HA ASN 81 HA ASN 81 -10.528 -13.200 1.200 623 HB2 ASN 81 HB1 ASN 81 -10.615 -12.216 3.278 624 HB3 ASN 81 HB2 ASN 81 -9.441 -11.177 2.481 625 HD21 ASN 81 HD21 ASN 81 -10.024 -9.095 1.902 626 HD22 ASN 81 HD22 ASN 81 -11.430 -8.323 2.541 627 H GLY 82 HN GLY 82 -11.942 -11.587 -1.043 628 HA2 GLY 82 HA2 GLY 82 -14.071 -11.300 -1.794 629 HA3 GLY 82 HA1 GLY 82 -14.493 -12.584 -0.675 630 H PHE 83 HN PHE 83 -13.191 -9.505 0.465 631 HA PHE 83 HA PHE 83 -15.715 -9.094 1.864 632 HB2 PHE 83 HB2 PHE 83 -13.745 -8.840 3.217 633 HB3 PHE 83 HB1 PHE 83 -13.052 -7.689 2.082 634 HD1 PHE 83 HD1 PHE 83 -16.029 -8.150 4.267 635 HD2 PHE 83 HD2 PHE 83 -13.296 -5.430 2.469 636 HE1 PHE 83 HE1 PHE 83 -17.055 -6.297 5.520 637 HE2 PHE 83 HE2 PHE 83 -14.315 -3.572 3.718 638 HZ PHE 83 HZ PHE 83 -16.198 -4.005 5.247 639 H ARG 84 HN ARG 84 -17.225 -8.262 0.583 640 HA ARG 84 HA ARG 84 -16.596 -6.143 -1.288 641 HB2 ARG 84 HB2 ARG 84 -18.184 -7.874 -1.952 642 HB3 ARG 84 HB1 ARG 84 -19.221 -7.473 -0.589 643 HG2 ARG 84 HG1 ARG 84 -19.567 -5.230 -1.545 644 HG3 ARG 84 HG2 ARG 84 -18.590 -5.700 -2.939 645 HD2 ARG 84 HD1 ARG 84 -21.034 -5.885 -3.331 646 HD3 ARG 84 HD2 ARG 84 -20.167 -7.407 -3.542 647 HE ARG 84 HE ARG 84 -21.000 -7.484 -0.957 648 HH11 ARG 84 HH11 ARG 84 -22.608 -6.971 -4.005 649 HH12 ARG 84 HH12 ARG 84 -24.100 -7.677 -3.481 650 HH21 ARG 84 HH21 ARG 84 -22.959 -8.417 -0.261 651 HH22 ARG 84 HH22 ARG 84 -24.300 -8.499 -1.354 652 H GLY 85 HN GLY 85 -16.475 -4.118 -0.642 653 HA2 GLY 85 HA1 GLY 85 -18.551 -2.868 0.852 654 HA3 GLY 85 HA2 GLY 85 -17.135 -3.131 1.859 655 H GLU 86 HN GLU 86 -18.447 -0.658 0.835 656 HA GLU 86 HA GLU 86 -16.573 0.497 -1.018 657 HB2 GLU 86 HB2 GLU 86 -17.842 2.613 -0.520 658 HB3 GLU 86 HB1 GLU 86 -18.821 1.290 -1.138 659 HG2 GLU 86 HG2 GLU 86 -19.584 0.783 1.117 660 HG3 GLU 86 HG1 GLU 86 -18.582 2.086 1.754 661 H LEU 87 HN LEU 87 -14.731 1.508 -0.547 662 HA LEU 87 HA LEU 87 -14.334 2.578 2.151 663 HB2 LEU 87 HB2 LEU 87 -13.368 0.232 1.864 664 HB3 LEU 87 HB1 LEU 87 -12.212 0.956 0.764 665 HG LEU 87 HG LEU 87 -11.420 2.420 2.598 666 HD11 LEU 87 HD21 LEU 87 -12.099 1.927 4.895 667 HD12 LEU 87 HD22 LEU 87 -13.288 0.770 4.296 668 HD13 LEU 87 HD23 LEU 87 -13.462 2.486 3.925 669 HD21 LEU 87 HD11 LEU 87 -11.373 -0.535 3.190 670 HD22 LEU 87 HD12 LEU 87 -10.265 0.663 3.858 671 HD23 LEU 87 HD13 LEU 87 -10.269 0.334 2.125 672 H SER 88 HN SER 88 -12.785 4.247 2.298 673 HA SER 88 HA SER 88 -12.617 5.891 -0.021 674 HB2 SER 88 HB1 SER 88 -12.809 6.849 2.234 675 HB3 SER 88 HB2 SER 88 -11.236 6.175 2.660 676 HG SER 88 HG SER 88 -10.301 7.767 1.659 677 H ALA 89 HN ALA 89 -10.633 6.743 -0.950 678 HA ALA 89 HA ALA 89 -8.878 4.726 -1.802 679 HB1 ALA 89 HB1 ALA 89 -9.224 6.623 -3.196 680 HB2 ALA 89 HB2 ALA 89 -7.526 6.623 -2.725 681 HB3 ALA 89 HB3 ALA 89 -8.659 7.726 -1.942 682 H ASP 90 HN ASP 90 -8.886 6.611 1.047 683 HA ASP 90 HA ASP 90 -6.059 6.474 1.543 684 HB2 ASP 90 HB2 ASP 90 -7.364 8.321 2.461 685 HB3 ASP 90 HB1 ASP 90 -8.371 7.190 3.360 686 H ALA 91 HN ALA 91 -8.911 5.024 3.124 687 HA ALA 91 HA ALA 91 -7.373 3.178 4.642 688 HB1 ALA 91 HB1 ALA 91 -9.511 2.181 5.246 689 HB2 ALA 91 HB2 ALA 91 -10.315 3.113 3.981 690 HB3 ALA 91 HB3 ALA 91 -9.585 3.940 5.358 691 H ALA 92 HN ALA 92 -8.344 3.211 1.383 692 HA ALA 92 HA ALA 92 -8.283 0.307 1.113 693 HB1 ALA 92 HB1 ALA 92 -10.002 1.548 -0.117 694 HB2 ALA 92 HB2 ALA 92 -8.909 0.701 -1.212 695 HB3 ALA 92 HB3 ALA 92 -8.744 2.441 -0.972 696 H GLY 93 HN GLY 93 -6.426 3.178 0.323 697 HA2 GLY 93 HA2 GLY 93 -4.520 2.018 -1.374 698 HA3 GLY 93 HA1 GLY 93 -4.251 3.436 -0.367 699 H ILE 94 HN ILE 94 -5.092 1.600 1.956 700 HA ILE 94 HA ILE 94 -2.435 0.894 2.754 701 HB ILE 94 HB ILE 94 -4.840 -0.185 4.166 702 HG12 ILE 94 HG11 ILE 94 -5.513 2.096 3.619 703 HG13 ILE 94 HG12 ILE 94 -5.151 1.966 5.335 704 HG21 ILE 94 HG21 ILE 94 -2.621 -0.699 5.012 705 HG22 ILE 94 HG22 ILE 94 -3.501 0.324 6.149 706 HG23 ILE 94 HG23 ILE 94 -2.249 1.023 5.121 707 HD11 ILE 94 HD11 ILE 94 -4.323 4.038 4.268 708 HD12 ILE 94 HD12 ILE 94 -3.236 3.050 3.292 709 HD13 ILE 94 HD13 ILE 94 -3.063 3.078 5.047 710 H VAL 95 HN VAL 95 -5.221 -0.793 1.492 711 HA VAL 95 HA VAL 95 -4.110 -3.421 1.909 712 HB VAL 95 HB VAL 95 -6.545 -2.542 0.349 713 HG11 VAL 95 HG11 VAL 95 -5.728 -4.708 -0.408 714 HG12 VAL 95 HG12 VAL 95 -7.240 -4.884 0.481 715 HG13 VAL 95 HG13 VAL 95 -5.710 -5.295 1.255 716 HG21 VAL 95 HG21 VAL 95 -6.697 -1.996 2.719 717 HG22 VAL 95 HG22 VAL 95 -6.296 -3.662 3.138 718 HG23 VAL 95 HG23 VAL 95 -7.807 -3.302 2.301 719 H ALA 96 HN ALA 96 -4.162 -1.038 -0.631 720 HA ALA 96 HA ALA 96 -3.596 -2.810 -2.788 721 HB1 ALA 96 HB1 ALA 96 -3.099 -0.793 -4.053 722 HB2 ALA 96 HB2 ALA 96 -3.099 0.155 -2.566 723 HB3 ALA 96 HB3 ALA 96 -4.589 -0.600 -3.130 724 H THR 97 HN THR 97 -1.560 -0.651 -0.821 725 HA THR 97 HA THR 97 0.859 -1.407 -2.128 726 HB THR 97 HB THR 97 0.808 0.740 -1.076 727 HG1 THR 97 HG1 THR 97 2.782 0.570 -0.262 728 HG21 THR 97 HG21 THR 97 0.456 -0.594 1.602 729 HG22 THR 97 HG22 THR 97 -0.889 0.068 0.674 730 HG23 THR 97 HG23 THR 97 0.403 1.129 1.230 731 H LEU 98 HN LEU 98 -0.709 -2.358 0.905 732 HA LEU 98 HA LEU 98 1.317 -3.965 1.944 733 HB2 LEU 98 HB2 LEU 98 -1.661 -3.982 2.216 734 HB3 LEU 98 HB1 LEU 98 -0.725 -5.289 2.915 735 HG LEU 98 HG LEU 98 -0.362 -2.363 3.573 736 HD11 LEU 98 HD21 LEU 98 -2.499 -3.186 4.381 737 HD12 LEU 98 HD22 LEU 98 -1.382 -2.940 5.723 738 HD13 LEU 98 HD23 LEU 98 -1.702 -4.570 5.129 739 HD21 LEU 98 HD11 LEU 98 0.833 -4.839 4.809 740 HD22 LEU 98 HD12 LEU 98 1.042 -3.188 5.394 741 HD23 LEU 98 HD13 LEU 98 1.688 -3.656 3.821 742 H PHE 99 HN PHE 99 -1.353 -4.867 -0.229 743 HA PHE 99 HA PHE 99 -0.749 -7.590 -0.430 744 HB2 PHE 99 HB1 PHE 99 -2.363 -5.651 -1.952 745 HB3 PHE 99 HB2 PHE 99 -1.806 -7.037 -2.885 746 HD1 PHE 99 HD1 PHE 99 -3.728 -6.029 0.109 747 HD2 PHE 99 HD2 PHE 99 -2.776 -9.161 -2.616 748 HE1 PHE 99 HE1 PHE 99 -5.547 -7.396 1.046 749 HE2 PHE 99 HE2 PHE 99 -4.595 -10.529 -1.684 750 HZ PHE 99 HZ PHE 99 -5.983 -9.648 0.149 751 H ALA 100 HN ALA 100 0.630 -4.811 -2.037 752 HA ALA 100 HA ALA 100 1.974 -6.207 -4.103 753 HB1 ALA 100 HB1 ALA 100 3.262 -4.163 -4.400 754 HB2 ALA 100 HB2 ALA 100 2.672 -3.550 -2.855 755 HB3 ALA 100 HB3 ALA 100 1.550 -3.795 -4.194 756 H LEU 101 HN LEU 101 2.914 -5.217 -0.844 757 HA LEU 101 HA LEU 101 5.617 -5.890 -0.935 758 HB2 LEU 101 HB2 LEU 101 3.703 -6.062 1.393 759 HB3 LEU 101 HB1 LEU 101 5.449 -6.113 1.524 760 HG LEU 101 HG LEU 101 3.923 -3.764 0.403 761 HD11 LEU 101 HD21 LEU 101 4.364 -2.672 2.554 762 HD12 LEU 101 HD22 LEU 101 5.022 -4.185 3.179 763 HD13 LEU 101 HD23 LEU 101 3.318 -4.082 2.734 764 HD21 LEU 101 HD11 LEU 101 6.227 -3.928 -0.364 765 HD22 LEU 101 HD12 LEU 101 6.783 -4.065 1.305 766 HD23 LEU 101 HD13 LEU 101 6.028 -2.573 0.745 767 H GLY 102 HN GLY 102 2.794 -7.885 -0.185 768 HA2 GLY 102 HA2 GLY 102 4.193 -10.200 0.606 769 HA3 GLY 102 HA1 GLY 102 2.536 -10.153 0.032 770 H GLN 103 HN GLN 103 3.222 -9.061 -2.588 771 HA GLN 103 HA GLN 103 3.825 -11.561 -3.868 772 HB2 GLN 103 HB2 GLN 103 2.161 -9.894 -4.738 773 HB3 GLN 103 HB1 GLN 103 3.512 -8.854 -5.169 774 HG2 GLN 103 HG1 GLN 103 4.378 -10.631 -6.638 775 HG3 GLN 103 HG2 GLN 103 2.968 -11.613 -6.244 776 HE21 GLN 103 HE22 GLN 103 4.152 -8.864 -7.983 777 HE22 GLN 103 HE21 GLN 103 2.734 -8.591 -8.931 778 H LEU 104 HN LEU 104 5.421 -8.383 -3.718 779 HA LEU 104 HA LEU 104 7.613 -8.976 -5.334 780 HB2 LEU 104 HB1 LEU 104 7.352 -7.104 -2.988 781 HB3 LEU 104 HB2 LEU 104 8.777 -7.172 -4.006 782 HG LEU 104 HG LEU 104 6.003 -6.510 -5.003 783 HD11 LEU 104 HD11 LEU 104 6.782 -4.778 -3.495 784 HD12 LEU 104 HD12 LEU 104 6.836 -4.203 -5.162 785 HD13 LEU 104 HD13 LEU 104 8.321 -4.696 -4.350 786 HD21 LEU 104 HD21 LEU 104 8.711 -6.326 -6.318 787 HD22 LEU 104 HD22 LEU 104 7.191 -5.759 -7.012 788 HD23 LEU 104 HD23 LEU 104 7.438 -7.480 -6.710 789 H ALA 105 HN ALA 105 7.003 -9.710 -1.966 790 HA ALA 105 HA ALA 105 9.681 -10.522 -1.368 791 HB1 ALA 105 HB1 ALA 105 8.148 -9.731 0.369 792 HB2 ALA 105 HB2 ALA 105 8.747 -11.351 0.723 793 HB3 ALA 105 HB3 ALA 105 7.113 -11.132 0.094 794 H ALA 106 HN ALA 106 6.813 -12.086 -2.605 795 HA ALA 106 HA ALA 106 7.955 -14.745 -2.299 796 HB1 ALA 106 HB1 ALA 106 5.833 -15.551 -3.169 797 HB2 ALA 106 HB2 ALA 106 5.338 -13.899 -3.534 798 HB3 ALA 106 HB3 ALA 106 5.568 -14.400 -1.860 799 H GLU 107 HN GLU 107 7.968 -12.259 -4.603 800 HA GLU 107 HA GLU 107 8.005 -13.809 -6.983 801 HB2 GLU 107 HB2 GLU 107 7.504 -11.406 -6.990 802 HB3 GLU 107 HB1 GLU 107 9.142 -11.058 -6.453 803 HG2 GLU 107 HG2 GLU 107 10.033 -11.967 -8.524 804 HG3 GLU 107 HG1 GLU 107 8.402 -12.367 -9.060 805 H ILE 108 HN ILE 108 10.535 -12.540 -4.862 806 HA ILE 108 HA ILE 108 12.631 -13.705 -6.484 807 HB ILE 108 HB ILE 108 14.144 -12.871 -4.667 808 HG12 ILE 108 HG11 ILE 108 11.588 -11.643 -3.603 809 HG13 ILE 108 HG12 ILE 108 12.486 -12.946 -2.831 810 HG21 ILE 108 HG21 ILE 108 13.703 -11.561 -6.670 811 HG22 ILE 108 HG22 ILE 108 13.879 -10.510 -5.266 812 HG23 ILE 108 HG23 ILE 108 12.275 -10.857 -5.911 813 HD11 ILE 108 HD11 ILE 108 13.466 -10.139 -3.289 814 HD12 ILE 108 HD12 ILE 108 14.402 -11.443 -2.559 815 HD13 ILE 108 HD13 ILE 108 12.955 -10.840 -1.753 816 H ALA 109 HN ALA 109 13.169 -15.768 -6.345 817 HA ALA 109 HA ALA 109 12.233 -17.494 -4.302 818 HB1 ALA 109 HB1 ALA 109 13.564 -19.213 -5.404 819 HB2 ALA 109 HB2 ALA 109 14.386 -17.978 -6.359 820 HB3 ALA 109 HB3 ALA 109 12.661 -18.264 -6.584 821 H ASP 110 HN ASP 110 14.788 -15.324 -4.355 822 HA ASP 110 HA ASP 110 16.620 -16.813 -2.708 823 HB2 ASP 110 HB2 ASP 110 16.508 -13.898 -3.503 824 HB3 ASP 110 HB1 ASP 110 17.793 -14.593 -2.520 825 H THR 111 HN THR 111 16.514 -17.053 -0.579 826 HA THR 111 HA THR 111 14.483 -15.674 0.942 827 HB THR 111 HB THR 111 15.234 -17.077 2.830 828 HG1 THR 111 HG1 THR 111 16.976 -18.467 1.115 829 HG21 THR 111 HG21 THR 111 14.632 -19.258 1.860 830 HG22 THR 111 HG22 THR 111 14.844 -18.588 0.242 831 HG23 THR 111 HG23 THR 111 13.567 -17.971 1.292 832 H ASP 112 HN ASP 112 17.191 -14.482 -0.108 833 HA ASP 112 HA ASP 112 18.473 -13.608 2.314 834 HB2 ASP 112 HB1 ASP 112 18.837 -12.637 -0.528 835 HB3 ASP 112 HB2 ASP 112 19.896 -12.272 0.830 836 H ALA 113 HN ALA 113 16.765 -11.880 -0.302 837 HA ALA 113 HA ALA 113 16.290 -9.655 1.540 838 HB1 ALA 113 HB1 ALA 113 17.267 -9.127 -0.641 839 HB2 ALA 113 HB2 ALA 113 15.687 -8.369 -0.435 840 HB3 ALA 113 HB3 ALA 113 15.849 -9.810 -1.438 841 H ALA 114 HN ALA 114 14.738 -12.414 0.523 842 HA ALA 114 HA ALA 114 12.087 -11.499 0.137 843 HB1 ALA 114 HB1 ALA 114 13.037 -14.199 1.084 844 HB2 ALA 114 HB2 ALA 114 12.846 -13.706 -0.598 845 HB3 ALA 114 HB3 ALA 114 11.434 -13.824 0.453 846 H ASP 115 HN ASP 115 13.993 -11.461 2.858 847 HA ASP 115 HA ASP 115 11.648 -11.477 4.640 848 HB2 ASP 115 HB2 ASP 115 14.517 -12.138 5.348 849 HB3 ASP 115 HB1 ASP 115 13.152 -12.140 6.462 850 H ALA 116 HN ALA 116 14.018 -9.574 3.215 851 HA ALA 116 HA ALA 116 14.350 -7.714 5.395 852 HB1 ALA 116 HB1 ALA 116 16.170 -8.108 3.804 853 HB2 ALA 116 HB2 ALA 116 15.670 -6.417 3.810 854 HB3 ALA 116 HB3 ALA 116 15.164 -7.481 2.499 855 H LEU 117 HN LEU 117 12.824 -7.611 2.165 856 HA LEU 117 HA LEU 117 11.675 -5.059 2.529 857 HB2 LEU 117 HB2 LEU 117 10.587 -5.375 0.494 858 HB3 LEU 117 HB1 LEU 117 12.044 -6.330 0.339 859 HG LEU 117 HG LEU 117 10.376 -7.639 -0.630 860 HD11 LEU 117 HD11 LEU 117 11.800 -8.819 1.059 861 HD12 LEU 117 HD12 LEU 117 10.273 -9.607 0.668 862 HD13 LEU 117 HD13 LEU 117 10.440 -8.708 2.174 863 HD21 LEU 117 HD21 LEU 117 8.435 -6.412 0.080 864 HD22 LEU 117 HD22 LEU 117 8.622 -7.002 1.731 865 HD23 LEU 117 HD23 LEU 117 8.213 -8.125 0.434 866 H ILE 118 HN ILE 118 10.906 -8.109 3.772 867 HA ILE 118 HA ILE 118 8.111 -7.872 4.081 868 HB ILE 118 HB ILE 118 10.214 -9.499 5.485 869 HG12 ILE 118 HG12 ILE 118 9.531 -10.179 3.229 870 HG13 ILE 118 HG11 ILE 118 9.034 -11.370 4.427 871 HG21 ILE 118 HG21 ILE 118 8.521 -8.904 7.166 872 HG22 ILE 118 HG22 ILE 118 8.496 -10.625 6.777 873 HG23 ILE 118 HG23 ILE 118 7.263 -9.552 6.112 874 HD11 ILE 118 HD11 ILE 118 7.257 -9.296 3.166 875 HD12 ILE 118 HD12 ILE 118 6.761 -10.493 4.361 876 HD13 ILE 118 HD13 ILE 118 7.304 -11.014 2.766 877 H ASP 119 HN ASP 119 10.840 -6.664 5.867 878 HA ASP 119 HA ASP 119 9.723 -6.050 8.319 879 HB2 ASP 119 HB2 ASP 119 12.038 -5.233 6.786 880 HB3 ASP 119 HB1 ASP 119 11.375 -3.875 7.689 881 H ARG 120 HN ARG 120 9.583 -4.236 5.285 882 HA ARG 120 HA ARG 120 8.346 -1.926 6.270 883 HB2 ARG 120 HB1 ARG 120 8.270 -3.214 3.541 884 HB3 ARG 120 HB2 ARG 120 7.547 -1.649 3.885 885 HG2 ARG 120 HG2 ARG 120 9.662 -1.232 2.924 886 HG3 ARG 120 HG1 ARG 120 9.810 -0.879 4.646 887 HD2 ARG 120 HD2 ARG 120 10.873 -3.024 5.026 888 HD3 ARG 120 HD1 ARG 120 10.656 -3.457 3.330 889 HE ARG 120 HE ARG 120 12.096 -1.267 3.056 890 HH11 ARG 120 HH11 ARG 120 12.482 -3.879 5.332 891 HH12 ARG 120 HH12 ARG 120 14.196 -3.677 5.470 892 HH21 ARG 120 HH21 ARG 120 14.351 -0.995 3.233 893 HH22 ARG 120 HH22 ARG 120 15.258 -2.036 4.278 894 H TYR 121 HN TYR 121 7.000 -4.995 5.166 895 HA TYR 121 HA TYR 121 4.298 -4.213 5.113 896 HB2 TYR 121 HB2 TYR 121 5.169 -6.300 4.087 897 HB3 TYR 121 HB1 TYR 121 5.413 -6.965 5.700 898 HD1 TYR 121 HD1 TYR 121 3.380 -7.311 7.179 899 HD2 TYR 121 HD2 TYR 121 3.076 -6.437 3.027 900 HE1 TYR 121 HE1 TYR 121 1.075 -8.166 7.174 901 HE2 TYR 121 HE2 TYR 121 0.769 -7.286 3.010 902 HH TYR 121 HH TYR 121 -0.640 -8.815 4.318 903 H HIS 122 HN HIS 122 6.217 -5.771 7.673 904 HA HIS 122 HA HIS 122 4.156 -5.948 9.571 905 HB2 HIS 122 HB2 HIS 122 7.155 -5.857 9.802 906 HB3 HIS 122 HB1 HIS 122 6.133 -5.937 11.232 907 HD1 HIS 122 HD1 HIS 122 5.585 -8.220 12.001 908 HD2 HIS 122 HD2 HIS 122 6.592 -8.145 7.970 909 HE1 HIS 122 HE1 HIS 122 5.587 -10.624 11.264 910 HE2 HIS 122 HE2 HIS 122 6.140 -10.551 8.807 911 H PHE 123 HN PHE 123 6.185 -3.306 8.593 912 HA PHE 123 HA PHE 123 5.717 -1.665 10.883 913 HB2 PHE 123 HB2 PHE 123 6.682 -0.978 8.102 914 HB3 PHE 123 HB1 PHE 123 6.623 0.167 9.436 915 HD1 PHE 123 HD2 PHE 123 7.423 -2.443 11.287 916 HD2 PHE 123 HD1 PHE 123 9.108 -0.276 8.032 917 HE1 PHE 123 HE2 PHE 123 9.674 -3.144 11.990 918 HE2 PHE 123 HE1 PHE 123 11.362 -0.974 8.731 919 HZ PHE 123 HZ PHE 123 11.647 -2.409 10.711 920 H LEU 124 HN LEU 124 4.433 -1.560 7.554 921 HA LEU 124 HA LEU 124 2.613 0.538 8.032 922 HB2 LEU 124 HB1 LEU 124 3.263 0.009 5.786 923 HB3 LEU 124 HB2 LEU 124 2.662 -1.630 5.940 924 HG LEU 124 HG LEU 124 0.360 -0.784 6.060 925 HD11 LEU 124 HD11 LEU 124 -0.088 1.585 5.557 926 HD12 LEU 124 HD12 LEU 124 1.639 1.917 5.671 927 HD13 LEU 124 HD13 LEU 124 0.752 1.366 7.092 928 HD21 LEU 124 HD21 LEU 124 1.275 -1.383 3.895 929 HD22 LEU 124 HD22 LEU 124 1.927 0.244 3.701 930 HD23 LEU 124 HD23 LEU 124 0.183 -0.007 3.742 931 H ARG 125 HN ARG 125 2.213 -2.980 8.059 932 HA ARG 125 HA ARG 125 -0.480 -3.239 8.416 933 HB2 ARG 125 HB2 ARG 125 1.008 -5.157 8.245 934 HB3 ARG 125 HB1 ARG 125 1.703 -4.790 9.818 935 HG2 ARG 125 HG1 ARG 125 -0.435 -5.247 10.886 936 HG3 ARG 125 HG2 ARG 125 -1.161 -5.577 9.311 937 HD2 ARG 125 HD1 ARG 125 0.338 -7.459 8.988 938 HD3 ARG 125 HD2 ARG 125 1.140 -7.108 10.518 939 HE ARG 125 HE ARG 125 -1.561 -7.451 11.068 940 HH11 ARG 125 HH11 ARG 125 1.100 -9.346 9.850 941 HH12 ARG 125 HH12 ARG 125 0.472 -10.845 10.448 942 HH21 ARG 125 HH21 ARG 125 -2.392 -9.418 11.858 943 HH22 ARG 125 HH22 ARG 125 -1.514 -10.886 11.587 944 H GLY 126 HN GLY 126 1.903 -2.296 10.856 945 HA2 GLY 126 HA1 GLY 126 0.126 -2.395 13.065 946 HA3 GLY 126 HA2 GLY 126 1.659 -1.539 13.007 947 H PHE 127 HN PHE 127 0.874 0.111 10.715 948 HA PHE 127 HA PHE 127 -0.384 2.217 12.180 949 HB2 PHE 127 HB2 PHE 127 1.360 2.651 10.493 950 HB3 PHE 127 HB1 PHE 127 0.293 2.037 9.235 951 HD1 PHE 127 HD1 PHE 127 0.297 4.597 11.951 952 HD2 PHE 127 HD2 PHE 127 -0.899 3.556 8.002 953 HE1 PHE 127 HE1 PHE 127 -0.628 6.855 11.640 954 HE2 PHE 127 HE2 PHE 127 -1.825 5.813 7.684 955 HZ PHE 127 HZ PHE 127 -1.690 7.466 9.504 956 H ALA 128 HN ALA 128 -1.443 -0.225 9.960 957 HA ALA 128 HA ALA 128 -3.849 0.939 9.089 958 HB1 ALA 128 HB1 ALA 128 -2.848 -1.020 8.018 959 HB2 ALA 128 HB2 ALA 128 -4.520 -1.326 8.487 960 HB3 ALA 128 HB3 ALA 128 -3.199 -1.985 9.452 961 H ALA 129 HN ALA 129 -2.946 -0.618 12.061 962 HA ALA 129 HA ALA 129 -5.583 -1.198 12.975 963 HB1 ALA 129 HB1 ALA 129 -3.612 -2.357 13.853 964 HB2 ALA 129 HB2 ALA 129 -4.539 -1.586 15.141 965 HB3 ALA 129 HB3 ALA 129 -3.044 -0.847 14.567 966 H GLY 130 HN GLY 130 -3.639 1.649 12.884 967 HA2 GLY 130 HA2 GLY 130 -5.183 3.009 14.945 968 HA3 GLY 130 HA1 GLY 130 -3.835 3.679 14.038 969 H HIS 131 HN HIS 131 -5.496 2.420 11.649 970 HA HIS 131 HA HIS 131 -6.585 4.891 10.780 971 HB2 HIS 131 HB2 HIS 131 -6.461 2.111 9.726 972 HB3 HIS 131 HB1 HIS 131 -7.694 3.173 9.053 973 HD1 HIS 131 HD1 HIS 131 -6.893 5.166 7.620 974 HD2 HIS 131 HD2 HIS 131 -3.826 2.742 9.028 975 HE1 HIS 131 HE1 HIS 131 -4.855 5.830 6.306 976 HE2 HIS 131 HE2 HIS 131 -3.034 4.286 7.110 977 HA PRO 132 HA PRO 132 -10.679 4.800 12.431 978 HB2 PRO 132 HB1 PRO 132 -12.087 5.951 10.394 979 HB3 PRO 132 HB2 PRO 132 -11.058 6.864 11.501 980 HG2 PRO 132 HG1 PRO 132 -10.468 5.883 8.735 981 HG3 PRO 132 HG2 PRO 132 -10.085 7.450 9.473 982 HD2 PRO 132 HD1 PRO 132 -8.241 5.498 9.213 983 HD3 PRO 132 HD2 PRO 132 -8.245 6.615 10.593 984 H GLU 133 HN GLU 133 -9.804 3.157 9.591 985 HA GLU 133 HA GLU 133 -12.273 1.554 9.695 986 HB2 GLU 133 HB2 GLU 133 -10.626 2.424 7.332 987 HB3 GLU 133 HB1 GLU 133 -11.688 1.025 7.244 988 HG2 GLU 133 HG1 GLU 133 -12.606 3.767 8.043 989 HG3 GLU 133 HG2 GLU 133 -12.662 3.155 6.392 990 H ALA 134 HN ALA 134 -9.646 1.306 11.075 991 HA ALA 134 HA ALA 134 -7.904 -0.542 10.172 992 HB1 ALA 134 HB1 ALA 134 -7.785 0.466 12.399 993 HB2 ALA 134 HB2 ALA 134 -7.584 -1.285 12.471 994 HB3 ALA 134 HB3 ALA 134 -9.122 -0.553 12.932 995 H ALA 135 HN ALA 135 -11.091 -1.276 11.571 996 HA ALA 135 HA ALA 135 -10.973 -4.035 11.444 997 HB1 ALA 135 HB1 ALA 135 -12.748 -2.802 12.588 998 HB2 ALA 135 HB2 ALA 135 -13.408 -3.999 11.473 999 HB3 ALA 135 HB3 ALA 135 -13.398 -2.292 11.029 1000 H ALA 136 HN ALA 136 -12.024 -1.740 8.939 1001 HA ALA 136 HA ALA 136 -12.732 -3.754 7.059 1002 HB1 ALA 136 HB1 ALA 136 -12.047 -0.860 6.567 1003 HB2 ALA 136 HB2 ALA 136 -13.646 -1.484 6.972 1004 HB3 ALA 136 HB3 ALA 136 -12.882 -1.940 5.449 1005 H ILE 137 HN ILE 137 -9.790 -1.892 7.626 1006 HA ILE 137 HA ILE 137 -8.422 -2.665 5.294 1007 HB ILE 137 HB ILE 137 -7.352 -1.741 7.955 1008 HG12 ILE 137 HG12 ILE 137 -7.708 -0.228 5.361 1009 HG13 ILE 137 HG11 ILE 137 -8.871 -0.192 6.683 1010 HG21 ILE 137 HG21 ILE 137 -5.624 -2.942 6.760 1011 HG22 ILE 137 HG22 ILE 137 -5.287 -1.210 6.724 1012 HG23 ILE 137 HG23 ILE 137 -5.952 -2.010 5.299 1013 HD11 ILE 137 HD11 ILE 137 -6.007 0.703 6.865 1014 HD12 ILE 137 HD12 ILE 137 -7.219 0.795 8.144 1015 HD13 ILE 137 HD13 ILE 137 -7.406 1.759 6.679 1016 H TYR 138 HN TYR 138 -8.120 -3.959 8.634 1017 HA TYR 138 HA TYR 138 -6.162 -5.865 7.941 1018 HB2 TYR 138 HB2 TYR 138 -6.210 -6.509 10.127 1019 HB3 TYR 138 HB1 TYR 138 -7.029 -4.962 10.290 1020 HD1 TYR 138 HD1 TYR 138 -9.478 -4.883 10.590 1021 HD2 TYR 138 HD2 TYR 138 -7.352 -8.565 10.547 1022 HE1 TYR 138 HE1 TYR 138 -11.406 -6.002 11.631 1023 HE2 TYR 138 HE2 TYR 138 -9.273 -9.697 11.584 1024 HH TYR 138 HH TYR 138 -11.227 -9.120 12.960 1025 H ARG 139 HN ARG 139 -9.677 -5.979 7.919 1026 HA ARG 139 HA ARG 139 -9.778 -8.808 7.436 1027 HB2 ARG 139 HB1 ARG 139 -12.143 -8.522 7.125 1028 HB3 ARG 139 HB2 ARG 139 -11.648 -7.535 8.494 1029 HG2 ARG 139 HG2 ARG 139 -11.667 -5.550 7.067 1030 HG3 ARG 139 HG1 ARG 139 -12.177 -6.543 5.701 1031 HD2 ARG 139 HD2 ARG 139 -14.068 -5.380 6.741 1032 HD3 ARG 139 HD1 ARG 139 -14.226 -7.132 6.863 1033 HE ARG 139 HE ARG 139 -12.981 -6.151 9.182 1034 HH11 ARG 139 HH11 ARG 139 -16.080 -6.158 7.589 1035 HH12 ARG 139 HH12 ARG 139 -16.981 -6.002 9.061 1036 HH21 ARG 139 HH21 ARG 139 -14.158 -5.946 11.123 1037 HH22 ARG 139 HH22 ARG 139 -15.888 -5.881 11.070 1038 H ALA 140 HN ALA 140 -9.644 -5.907 5.506 1039 HA ALA 140 HA ALA 140 -10.391 -7.018 3.025 1040 HB1 ALA 140 HB1 ALA 140 -9.345 -5.055 2.029 1041 HB2 ALA 140 HB2 ALA 140 -8.559 -4.683 3.563 1042 HB3 ALA 140 HB3 ALA 140 -10.316 -4.605 3.431 1043 H ILE 141 HN ILE 141 -7.338 -6.835 4.745 1044 HA ILE 141 HA ILE 141 -5.916 -8.097 2.530 1045 HB ILE 141 HB ILE 141 -3.898 -7.787 3.894 1046 HG12 ILE 141 HG11 ILE 141 -5.745 -6.458 5.892 1047 HG13 ILE 141 HG12 ILE 141 -5.028 -8.053 6.100 1048 HG21 ILE 141 HG21 ILE 141 -5.596 -5.304 3.672 1049 HG22 ILE 141 HG22 ILE 141 -4.606 -6.005 2.392 1050 HG23 ILE 141 HG23 ILE 141 -3.840 -5.339 3.834 1051 HD11 ILE 141 HD11 ILE 141 -3.805 -6.396 7.355 1052 HD12 ILE 141 HD12 ILE 141 -3.537 -5.450 5.891 1053 HD13 ILE 141 HD13 ILE 141 -2.800 -7.044 6.059 1054 H ASP 142 HN ASP 142 -7.613 -8.978 5.294 1055 HA ASP 142 HA ASP 142 -6.201 -11.088 6.391 1056 HB2 ASP 142 HB2 ASP 142 -8.296 -10.226 7.336 1057 HB3 ASP 142 HB1 ASP 142 -9.192 -10.896 5.976 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -7.653 3.423 31.355 2 H2 MET 1 HT2 MET 1 -9.026 3.765 30.428 3 H3 MET 1 HT3 MET 1 -8.500 4.867 31.598 4 HA MET 1 HA MET 1 -7.917 5.633 29.402 5 HB2 MET 1 HB2 MET 1 -5.538 6.008 29.795 6 HB3 MET 1 HB1 MET 1 -6.439 6.168 31.295 7 HG2 MET 1 HG1 MET 1 -5.759 3.903 31.934 8 HG3 MET 1 HG2 MET 1 -4.831 3.772 30.442 9 HE1 MET 1 HE1 MET 1 -5.261 6.890 32.812 10 HE2 MET 1 HE2 MET 1 -3.848 6.718 33.853 11 HE3 MET 1 HE3 MET 1 -5.149 5.529 33.929 12 H ASN 2 HN ASN 2 -6.025 5.343 27.760 13 HA ASN 2 HA ASN 2 -5.597 2.543 27.054 14 HB2 ASN 2 HB1 ASN 2 -6.829 4.533 25.133 15 HB3 ASN 2 HB2 ASN 2 -6.371 2.876 24.751 16 HD21 ASN 2 HD21 ASN 2 -8.670 4.924 26.322 17 HD22 ASN 2 HD22 ASN 2 -9.855 3.706 26.634 18 H THR 3 HN THR 3 -3.526 2.278 26.539 19 HA THR 3 HA THR 3 -2.114 4.414 25.115 20 HB THR 3 HB THR 3 -0.816 3.039 27.462 21 HG1 THR 3 HG1 THR 3 -1.332 4.933 28.653 22 HG21 THR 3 HG21 THR 3 -0.197 5.589 25.965 23 HG22 THR 3 HG22 THR 3 0.682 4.066 25.833 24 HG23 THR 3 HG23 THR 3 0.704 4.969 27.348 25 H GLU 4 HN GLU 4 -3.108 1.447 24.863 26 HA GLU 4 HA GLU 4 -0.632 0.089 24.216 27 HB2 GLU 4 HB2 GLU 4 -3.526 -0.743 24.035 28 HB3 GLU 4 HB1 GLU 4 -2.199 -1.765 23.501 29 HG2 GLU 4 HG2 GLU 4 -1.261 -1.651 25.795 30 HG3 GLU 4 HG1 GLU 4 -2.702 -0.765 26.293 31 H GLU 5 HN GLU 5 -2.307 2.395 22.671 32 HA GLU 5 HA GLU 5 -2.508 1.312 20.036 33 HB2 GLU 5 HB1 GLU 5 -2.451 4.183 20.982 34 HB3 GLU 5 HB2 GLU 5 -2.839 3.672 19.344 35 HG2 GLU 5 HG2 GLU 5 -4.765 2.413 20.223 36 HG3 GLU 5 HG1 GLU 5 -4.393 3.017 21.837 37 H GLN 6 HN GLN 6 -1.246 1.986 18.184 38 HA GLN 6 HA GLN 6 1.581 2.035 18.802 39 HB2 GLN 6 HB2 GLN 6 1.837 1.818 16.315 40 HB3 GLN 6 HB1 GLN 6 0.926 0.522 17.076 41 HG2 GLN 6 HG2 GLN 6 -0.603 0.865 15.510 42 HG3 GLN 6 HG1 GLN 6 -1.024 2.334 16.388 43 HE21 GLN 6 HE22 GLN 6 -1.664 3.400 14.527 44 HE22 GLN 6 HE21 GLN 6 -0.532 3.966 13.350 45 HA PRO 7 HA PRO 7 1.738 6.474 18.455 46 HB2 PRO 7 HB2 PRO 7 4.431 6.709 18.707 47 HB3 PRO 7 HB1 PRO 7 3.351 6.459 20.081 48 HG2 PRO 7 HG1 PRO 7 5.041 4.488 18.601 49 HG3 PRO 7 HG2 PRO 7 4.738 4.619 20.343 50 HD2 PRO 7 HD2 PRO 7 3.493 2.799 18.763 51 HD3 PRO 7 HD1 PRO 7 2.734 3.503 20.206 52 H VAL 8 HN VAL 8 3.175 4.222 16.404 53 HA VAL 8 HA VAL 8 4.578 5.895 14.630 54 HB VAL 8 HB VAL 8 3.226 3.270 13.994 55 HG11 VAL 8 HG11 VAL 8 5.503 4.701 12.627 56 HG12 VAL 8 HG12 VAL 8 3.863 4.524 12.003 57 HG13 VAL 8 HG13 VAL 8 4.887 3.103 12.205 58 HG21 VAL 8 HG21 VAL 8 5.384 2.241 14.486 59 HG22 VAL 8 HG22 VAL 8 4.736 3.069 15.903 60 HG23 VAL 8 HG23 VAL 8 6.031 3.812 14.962 61 H THR 9 HN THR 9 3.975 7.094 12.921 62 HA THR 9 HA THR 9 1.299 6.851 11.806 63 HB THR 9 HB THR 9 0.967 9.359 11.974 64 HG1 THR 9 HG1 THR 9 3.227 9.693 12.685 65 HG21 THR 9 HG21 THR 9 0.965 7.771 14.544 66 HG22 THR 9 HG22 THR 9 -0.322 7.801 13.339 67 HG23 THR 9 HG23 THR 9 0.061 9.258 14.255 68 H ALA 10 HN ALA 10 1.131 7.603 9.708 69 HA ALA 10 HA ALA 10 3.652 8.035 8.350 70 HB1 ALA 10 HB1 ALA 10 0.866 7.797 7.222 71 HB2 ALA 10 HB2 ALA 10 2.010 6.471 7.425 72 HB3 ALA 10 HB3 ALA 10 2.369 7.779 6.299 73 H SER 11 HN SER 11 3.392 9.631 6.362 74 HA SER 11 HA SER 11 1.963 12.062 6.974 75 HB2 SER 11 HB1 SER 11 3.938 12.321 8.410 76 HB3 SER 11 HB2 SER 11 4.991 12.055 7.021 77 HG SER 11 HG SER 11 4.291 14.334 7.788 78 H LEU 12 HN LEU 12 2.436 13.775 5.287 79 HA LEU 12 HA LEU 12 2.666 12.446 2.696 80 HB2 LEU 12 HB2 LEU 12 0.752 14.021 3.378 81 HB3 LEU 12 HB1 LEU 12 1.908 15.319 3.154 82 HG LEU 12 HG LEU 12 2.213 14.587 0.796 83 HD11 LEU 12 HD21 LEU 12 0.617 13.021 -0.174 84 HD12 LEU 12 HD22 LEU 12 -0.085 12.737 1.418 85 HD13 LEU 12 HD23 LEU 12 1.575 12.244 1.087 86 HD21 LEU 12 HD11 LEU 12 -0.613 15.233 1.627 87 HD22 LEU 12 HD12 LEU 12 0.045 15.418 0.001 88 HD23 LEU 12 HD13 LEU 12 0.681 16.394 1.325 89 H VAL 13 HN VAL 13 4.300 12.762 1.307 90 HA VAL 13 HA VAL 13 6.492 14.509 2.168 91 HB VAL 13 HB VAL 13 6.519 12.386 0.018 92 HG11 VAL 13 HG21 VAL 13 8.764 13.846 1.407 93 HG12 VAL 13 HG22 VAL 13 8.245 14.084 -0.262 94 HG13 VAL 13 HG23 VAL 13 8.954 12.546 0.231 95 HG21 VAL 13 HG11 VAL 13 6.051 11.382 2.181 96 HG22 VAL 13 HG12 VAL 13 7.425 12.230 2.891 97 HG23 VAL 13 HG13 VAL 13 7.692 10.990 1.665 98 H ALA 14 HN ALA 14 7.424 16.038 0.814 99 HA ALA 14 HA ALA 14 5.693 17.396 -0.954 100 HB1 ALA 14 HB1 ALA 14 8.679 17.694 -0.651 101 HB2 ALA 14 HB2 ALA 14 7.458 18.527 0.311 102 HB3 ALA 14 HB3 ALA 14 7.591 18.851 -1.418 103 H GLU 15 HN GLU 15 5.760 17.655 -3.196 104 HA GLU 15 HA GLU 15 6.253 15.337 -4.699 105 HB2 GLU 15 HB2 GLU 15 5.746 16.703 -6.658 106 HB3 GLU 15 HB1 GLU 15 4.611 17.035 -5.356 107 HG2 GLU 15 HG1 GLU 15 5.828 19.070 -4.800 108 HG3 GLU 15 HG2 GLU 15 6.986 18.733 -6.087 109 H ALA 16 HN ALA 16 8.247 18.120 -4.012 110 HA ALA 16 HA ALA 16 10.160 17.731 -6.058 111 HB1 ALA 16 HB1 ALA 16 10.495 19.087 -3.387 112 HB2 ALA 16 HB2 ALA 16 9.911 19.850 -4.864 113 HB3 ALA 16 HB3 ALA 16 11.567 19.250 -4.777 114 H GLN 17 HN GLN 17 9.569 16.061 -3.119 115 HA GLN 17 HA GLN 17 12.223 14.794 -3.279 116 HB2 GLN 17 HB2 GLN 17 10.373 15.070 -0.905 117 HB3 GLN 17 HB1 GLN 17 11.888 14.179 -0.898 118 HG2 GLN 17 HG2 GLN 17 11.641 17.120 -1.479 119 HG3 GLN 17 HG1 GLN 17 12.046 16.436 0.095 120 HE21 GLN 17 HE21 GLN 17 13.115 16.874 -3.199 121 HE22 GLN 17 HE22 GLN 17 14.790 16.575 -2.903 122 H ARG 18 HN ARG 18 8.954 14.360 -3.820 123 HA ARG 18 HA ARG 18 8.623 11.644 -3.079 124 HB2 ARG 18 HB2 ARG 18 7.171 13.538 -4.891 125 HB3 ARG 18 HB1 ARG 18 6.759 11.829 -4.904 126 HG2 ARG 18 HG2 ARG 18 5.982 11.872 -2.713 127 HG3 ARG 18 HG1 ARG 18 6.831 13.377 -2.342 128 HD2 ARG 18 HD2 ARG 18 5.235 14.675 -3.303 129 HD3 ARG 18 HD1 ARG 18 4.820 13.462 -4.510 130 HE ARG 18 HE ARG 18 4.002 12.530 -2.002 131 HH11 ARG 18 HH11 ARG 18 3.237 15.063 -4.268 132 HH12 ARG 18 HH12 ARG 18 1.572 15.154 -3.802 133 HH21 ARG 18 HH21 ARG 18 1.809 12.640 -1.384 134 HH22 ARG 18 HH22 ARG 18 0.761 13.778 -2.162 135 H LEU 19 HN LEU 19 9.904 13.256 -5.885 136 HA LEU 19 HA LEU 19 9.837 11.094 -7.685 137 HB2 LEU 19 HB2 LEU 19 11.713 12.379 -8.825 138 HB3 LEU 19 HB1 LEU 19 10.176 13.200 -8.635 139 HG LEU 19 HG LEU 19 11.218 14.250 -6.524 140 HD11 LEU 19 HD11 LEU 19 13.713 13.316 -7.928 141 HD12 LEU 19 HD12 LEU 19 13.148 12.801 -6.338 142 HD13 LEU 19 HD13 LEU 19 13.656 14.470 -6.596 143 HD21 LEU 19 HD21 LEU 19 12.260 16.023 -7.851 144 HD22 LEU 19 HD22 LEU 19 10.720 15.505 -8.536 145 HD23 LEU 19 HD23 LEU 19 12.235 14.971 -9.266 146 H ASP 20 HN ASP 20 11.899 11.798 -5.009 147 HA ASP 20 HA ASP 20 13.711 9.623 -5.834 148 HB2 ASP 20 HB2 ASP 20 14.756 11.883 -5.534 149 HB3 ASP 20 HB1 ASP 20 14.290 11.814 -3.837 150 H PHE 21 HN PHE 21 11.318 10.533 -3.635 151 HA PHE 21 HA PHE 21 12.144 9.142 -1.320 152 HB2 PHE 21 HB2 PHE 21 10.210 10.863 -1.641 153 HB3 PHE 21 HB1 PHE 21 9.254 9.444 -2.061 154 HD1 PHE 21 HD1 PHE 21 8.707 7.770 -0.406 155 HD2 PHE 21 HD2 PHE 21 11.005 11.205 0.611 156 HE1 PHE 21 HE1 PHE 21 8.325 7.315 1.982 157 HE2 PHE 21 HE2 PHE 21 10.627 10.755 3.001 158 HZ PHE 21 HZ PHE 21 9.287 8.808 3.687 159 H LEU 22 HN LEU 22 10.297 8.179 -4.169 160 HA LEU 22 HA LEU 22 9.486 5.652 -3.258 161 HB2 LEU 22 HB2 LEU 22 9.107 7.115 -5.548 162 HB3 LEU 22 HB1 LEU 22 10.114 5.798 -6.118 163 HG LEU 22 HG LEU 22 7.860 5.145 -6.476 164 HD11 LEU 22 HD21 LEU 22 7.678 3.130 -5.203 165 HD12 LEU 22 HD22 LEU 22 8.690 3.787 -3.919 166 HD13 LEU 22 HD23 LEU 22 9.391 3.432 -5.497 167 HD21 LEU 22 HD11 LEU 22 6.788 6.754 -4.999 168 HD22 LEU 22 HD12 LEU 22 7.342 5.849 -3.590 169 HD23 LEU 22 HD13 LEU 22 6.179 5.127 -4.702 170 HA PRO 23 HA PRO 23 13.474 3.846 -5.297 171 HB2 PRO 23 HB2 PRO 23 15.471 5.568 -5.939 172 HB3 PRO 23 HB1 PRO 23 14.192 5.117 -7.072 173 HG2 PRO 23 HG2 PRO 23 14.446 7.576 -5.380 174 HG3 PRO 23 HG1 PRO 23 13.941 7.429 -7.074 175 HD2 PRO 23 HD2 PRO 23 12.175 7.725 -5.042 176 HD3 PRO 23 HD1 PRO 23 11.798 6.804 -6.509 177 H THR 24 HN THR 24 13.404 6.376 -2.988 178 HA THR 24 HA THR 24 15.920 5.738 -1.742 179 HB THR 24 HB THR 24 13.649 7.569 -1.004 180 HG1 THR 24 HG1 THR 24 14.971 9.052 -1.781 181 HG21 THR 24 HG21 THR 24 16.157 7.115 0.613 182 HG22 THR 24 HG22 THR 24 14.542 6.575 1.075 183 HG23 THR 24 HG23 THR 24 14.891 8.299 0.941 184 H TYR 25 HN TYR 25 12.502 5.027 -1.114 185 HA TYR 25 HA TYR 25 13.291 3.430 1.217 186 HB2 TYR 25 HB2 TYR 25 10.688 4.612 0.309 187 HB3 TYR 25 HB1 TYR 25 10.709 3.292 1.476 188 HD1 TYR 25 HD1 TYR 25 12.450 6.561 0.928 189 HD2 TYR 25 HD2 TYR 25 10.651 3.880 3.698 190 HE1 TYR 25 HE1 TYR 25 12.857 8.171 2.742 191 HE2 TYR 25 HE2 TYR 25 11.053 5.482 5.519 192 HH TYR 25 HH TYR 25 12.568 7.360 6.019 193 H PHE 26 HN PHE 26 12.087 3.104 -2.019 194 HA PHE 26 HA PHE 26 11.527 0.257 -1.575 195 HB2 PHE 26 HB2 PHE 26 10.395 2.299 -3.307 196 HB3 PHE 26 HB1 PHE 26 10.862 0.864 -4.213 197 HD1 PHE 26 HD2 PHE 26 9.547 1.096 -0.744 198 HD2 PHE 26 HD1 PHE 26 8.849 -0.139 -4.758 199 HE1 PHE 26 HE2 PHE 26 7.481 -0.032 -0.032 200 HE2 PHE 26 HE1 PHE 26 6.779 -1.269 -4.051 201 HZ PHE 26 HZ PHE 26 6.093 -1.216 -1.687 202 H GLY 27 HN GLY 27 13.475 2.488 -3.456 203 HA2 GLY 27 HA2 GLY 27 15.798 1.641 -3.844 204 HA3 GLY 27 HA1 GLY 27 15.030 0.183 -4.459 205 HA PRO 28 HA PRO 28 15.549 3.795 -7.686 206 HB2 PRO 28 HB2 PRO 28 17.876 2.897 -8.865 207 HB3 PRO 28 HB1 PRO 28 17.797 4.197 -7.671 208 HG2 PRO 28 HG2 PRO 28 18.489 1.311 -7.294 209 HG3 PRO 28 HG1 PRO 28 19.228 2.747 -6.561 210 HD2 PRO 28 HD1 PRO 28 17.499 1.208 -5.203 211 HD3 PRO 28 HD2 PRO 28 17.539 2.970 -4.990 212 H ARG 29 HN ARG 29 15.848 0.355 -7.511 213 HA ARG 29 HA ARG 29 15.137 0.042 -10.318 214 HB2 ARG 29 HB2 ARG 29 16.893 -1.397 -9.367 215 HB3 ARG 29 HB1 ARG 29 15.734 -2.047 -8.215 216 HG2 ARG 29 HG1 ARG 29 15.068 -2.240 -11.100 217 HG3 ARG 29 HG2 ARG 29 16.335 -3.293 -10.469 218 HD2 ARG 29 HD1 ARG 29 14.859 -4.283 -8.901 219 HD3 ARG 29 HD2 ARG 29 13.623 -3.058 -9.188 220 HE ARG 29 HE ARG 29 13.168 -4.074 -11.296 221 HH11 ARG 29 HH11 ARG 29 15.395 -5.859 -9.297 222 HH12 ARG 29 HH12 ARG 29 15.148 -7.354 -10.135 223 HH21 ARG 29 HH21 ARG 29 12.835 -6.037 -12.402 224 HH22 ARG 29 HH22 ARG 29 13.693 -7.455 -11.900 225 H LEU 30 HN LEU 30 13.783 -0.726 -7.086 226 HA LEU 30 HA LEU 30 11.459 -1.967 -8.073 227 HB2 LEU 30 HB1 LEU 30 12.297 -0.827 -5.433 228 HB3 LEU 30 HB2 LEU 30 10.661 -1.397 -5.672 229 HG LEU 30 HG LEU 30 11.577 -3.638 -6.265 230 HD11 LEU 30 HD11 LEU 30 13.784 -2.960 -7.022 231 HD12 LEU 30 HD12 LEU 30 13.913 -4.125 -5.703 232 HD13 LEU 30 HD13 LEU 30 14.190 -2.410 -5.396 233 HD21 LEU 30 HD21 LEU 30 12.211 -4.237 -3.963 234 HD22 LEU 30 HD22 LEU 30 10.785 -3.202 -4.021 235 HD23 LEU 30 HD23 LEU 30 12.350 -2.523 -3.573 236 H MET 31 HN MET 31 12.287 1.362 -7.464 237 HA MET 31 HA MET 31 10.122 2.752 -6.952 238 HB2 MET 31 HB2 MET 31 10.800 4.259 -9.024 239 HB3 MET 31 HB1 MET 31 11.819 4.134 -7.596 240 HG2 MET 31 HG2 MET 31 13.411 2.928 -8.661 241 HG3 MET 31 HG1 MET 31 12.269 2.166 -9.759 242 HE1 MET 31 HE1 MET 31 12.840 5.998 -8.950 243 HE2 MET 31 HE2 MET 31 13.958 6.435 -10.242 244 HE3 MET 31 HE3 MET 31 14.459 5.301 -8.988 245 H MET 32 HN MET 32 10.476 1.006 -9.997 246 HA MET 32 HA MET 32 7.791 1.866 -10.790 247 HB2 MET 32 HB1 MET 32 8.334 0.943 -12.990 248 HB3 MET 32 HB2 MET 32 9.555 2.098 -12.476 249 HG2 MET 32 HG2 MET 32 10.984 0.212 -11.767 250 HG3 MET 32 HG1 MET 32 9.778 -0.901 -12.409 251 HE1 MET 32 HE1 MET 32 9.175 -1.106 -14.998 252 HE2 MET 32 HE2 MET 32 9.858 -0.053 -16.236 253 HE3 MET 32 HE3 MET 32 8.786 0.614 -15.005 254 H ARG 33 HN ARG 33 9.684 -0.954 -9.947 255 HA ARG 33 HA ARG 33 7.822 -2.938 -10.642 256 HB2 ARG 33 HB1 ARG 33 9.862 -3.024 -8.414 257 HB3 ARG 33 HB2 ARG 33 9.099 -4.408 -9.184 258 HG2 ARG 33 HG2 ARG 33 10.923 -2.445 -10.556 259 HG3 ARG 33 HG1 ARG 33 11.392 -4.040 -9.966 260 HD2 ARG 33 HD2 ARG 33 9.653 -5.020 -11.467 261 HD3 ARG 33 HD1 ARG 33 9.405 -3.409 -12.141 262 HE ARG 33 HE ARG 33 12.137 -4.076 -12.273 263 HH11 ARG 33 HH11 ARG 33 9.080 -4.900 -13.729 264 HH12 ARG 33 HH12 ARG 33 9.783 -5.380 -15.238 265 HH21 ARG 33 HH21 ARG 33 13.070 -4.705 -14.254 266 HH22 ARG 33 HH22 ARG 33 12.051 -5.269 -15.536 267 H GLY 34 HN GLY 34 8.091 -0.866 -7.814 268 HA2 GLY 34 HA2 GLY 34 6.005 -2.385 -6.435 269 HA3 GLY 34 HA1 GLY 34 6.966 -1.085 -5.748 270 H GLU 35 HN GLU 35 6.588 0.844 -7.765 271 HA GLU 35 HA GLU 35 4.272 2.115 -6.937 272 HB2 GLU 35 HB1 GLU 35 6.185 3.170 -8.173 273 HB3 GLU 35 HB2 GLU 35 5.575 2.431 -9.647 274 HG2 GLU 35 HG2 GLU 35 4.833 4.666 -9.650 275 HG3 GLU 35 HG1 GLU 35 3.431 3.670 -9.265 276 H ALA 36 HN ALA 36 4.821 0.013 -9.711 277 HA ALA 36 HA ALA 36 2.082 0.228 -10.602 278 HB1 ALA 36 HB1 ALA 36 4.270 -1.634 -11.519 279 HB2 ALA 36 HB2 ALA 36 3.900 -0.056 -12.215 280 HB3 ALA 36 HB3 ALA 36 2.725 -1.367 -12.326 281 H LEU 37 HN LEU 37 3.911 -1.789 -8.497 282 HA LEU 37 HA LEU 37 2.293 -4.108 -8.585 283 HB2 LEU 37 HB2 LEU 37 4.653 -3.310 -7.319 284 HB3 LEU 37 HB1 LEU 37 3.550 -3.708 -6.020 285 HG LEU 37 HG LEU 37 4.978 -5.607 -6.708 286 HD11 LEU 37 HD21 LEU 37 3.176 -7.259 -6.873 287 HD12 LEU 37 HD22 LEU 37 2.030 -5.964 -7.215 288 HD13 LEU 37 HD23 LEU 37 2.840 -6.034 -5.651 289 HD21 LEU 37 HD11 LEU 37 4.577 -6.720 -8.833 290 HD22 LEU 37 HD12 LEU 37 5.148 -5.070 -9.087 291 HD23 LEU 37 HD13 LEU 37 3.440 -5.454 -9.294 292 H VAL 38 HN VAL 38 2.189 -1.208 -6.543 293 HA VAL 38 HA VAL 38 0.205 -2.277 -4.777 294 HB VAL 38 HB VAL 38 0.125 -0.198 -3.716 295 HG11 VAL 38 HG21 VAL 38 2.446 0.477 -3.450 296 HG12 VAL 38 HG22 VAL 38 2.872 -0.347 -4.950 297 HG13 VAL 38 HG23 VAL 38 2.322 -1.279 -3.558 298 HG21 VAL 38 HG11 VAL 38 0.639 1.910 -4.674 299 HG22 VAL 38 HG12 VAL 38 -0.389 1.069 -5.832 300 HG23 VAL 38 HG13 VAL 38 1.350 1.164 -6.105 301 H TYR 39 HN TYR 39 0.126 -0.212 -7.634 302 HA TYR 39 HA TYR 39 -2.698 0.225 -7.499 303 HB2 TYR 39 HB1 TYR 39 -2.236 1.812 -9.007 304 HB3 TYR 39 HB2 TYR 39 -0.548 1.322 -8.921 305 HD1 TYR 39 HD1 TYR 39 0.412 -0.146 -10.621 306 HD2 TYR 39 HD2 TYR 39 -3.601 1.232 -10.905 307 HE1 TYR 39 HE1 TYR 39 0.363 -0.798 -12.994 308 HE2 TYR 39 HE2 TYR 39 -3.664 0.584 -13.277 309 HH TYR 39 HH TYR 39 -1.296 -1.380 -14.710 310 H ALA 40 HN ALA 40 -0.658 -2.256 -8.721 311 HA ALA 40 HA ALA 40 -2.334 -3.337 -10.715 312 HB1 ALA 40 HB1 ALA 40 -0.331 -4.760 -8.960 313 HB2 ALA 40 HB2 ALA 40 0.025 -3.957 -10.489 314 HB3 ALA 40 HB3 ALA 40 -1.017 -5.379 -10.462 315 H TRP 41 HN TRP 41 -2.022 -3.997 -7.250 316 HA TRP 41 HA TRP 41 -4.079 -5.978 -7.205 317 HB2 TRP 41 HB2 TRP 41 -2.717 -4.392 -5.024 318 HB3 TRP 41 HB1 TRP 41 -3.953 -5.601 -4.696 319 HD1 TRP 41 HD1 TRP 41 -0.288 -5.241 -5.586 320 HE1 TRP 41 HE1 TRP 41 0.827 -7.557 -5.506 321 HE3 TRP 41 HE3 TRP 41 -4.473 -8.146 -5.117 322 HZ2 TRP 41 HZ2 TRP 41 0.040 -10.259 -5.278 323 HZ3 TRP 41 HZ3 TRP 41 -4.202 -10.587 -4.976 324 HH2 TRP 41 HH2 TRP 41 -1.992 -11.620 -5.055 325 H MET 42 HN MET 42 -3.935 -2.514 -6.732 326 HA MET 42 HA MET 42 -6.433 -2.136 -5.523 327 HB2 MET 42 HB2 MET 42 -4.456 -0.495 -5.871 328 HB3 MET 42 HB1 MET 42 -5.227 -0.143 -7.413 329 HG2 MET 42 HG2 MET 42 -5.844 1.448 -5.658 330 HG3 MET 42 HG1 MET 42 -7.233 0.571 -6.298 331 HE1 MET 42 HE1 MET 42 -8.679 1.361 -4.208 332 HE2 MET 42 HE2 MET 42 -7.279 2.233 -3.584 333 HE3 MET 42 HE3 MET 42 -8.173 1.135 -2.533 334 H ARG 43 HN ARG 43 -5.499 -2.117 -8.961 335 HA ARG 43 HA ARG 43 -8.094 -1.479 -9.906 336 HB2 ARG 43 HB2 ARG 43 -7.234 -2.192 -12.116 337 HB3 ARG 43 HB1 ARG 43 -6.172 -1.056 -11.301 338 HG2 ARG 43 HG2 ARG 43 -4.666 -2.574 -12.109 339 HG3 ARG 43 HG1 ARG 43 -4.953 -3.216 -10.492 340 HD2 ARG 43 HD1 ARG 43 -6.475 -4.858 -11.349 341 HD3 ARG 43 HD2 ARG 43 -6.411 -4.145 -12.959 342 HE ARG 43 HE ARG 43 -3.818 -4.895 -12.153 343 HH11 ARG 43 HH11 ARG 43 -6.852 -6.292 -13.147 344 HH12 ARG 43 HH12 ARG 43 -6.125 -7.714 -13.819 345 HH21 ARG 43 HH21 ARG 43 -2.852 -6.761 -13.038 346 HH22 ARG 43 HH22 ARG 43 -3.850 -7.980 -13.757 347 H ARG 44 HN ARG 44 -6.844 -4.288 -8.552 348 HA ARG 44 HA ARG 44 -8.579 -6.115 -9.997 349 HB2 ARG 44 HB2 ARG 44 -6.693 -6.519 -7.669 350 HB3 ARG 44 HB1 ARG 44 -7.650 -7.808 -8.389 351 HG2 ARG 44 HG1 ARG 44 -6.514 -7.446 -10.529 352 HG3 ARG 44 HG2 ARG 44 -5.542 -6.172 -9.787 353 HD2 ARG 44 HD1 ARG 44 -4.678 -7.838 -8.169 354 HD3 ARG 44 HD2 ARG 44 -5.573 -9.091 -9.029 355 HE ARG 44 HE ARG 44 -3.892 -7.676 -10.812 356 HH11 ARG 44 HH11 ARG 44 -3.809 -10.056 -8.268 357 HH12 ARG 44 HH12 ARG 44 -2.361 -10.811 -8.844 358 HH21 ARG 44 HH21 ARG 44 -1.984 -8.663 -11.578 359 HH22 ARG 44 HH22 ARG 44 -1.324 -10.019 -10.726 360 H LEU 45 HN LEU 45 -8.671 -4.138 -7.229 361 HA LEU 45 HA LEU 45 -10.725 -5.641 -5.856 362 HB2 LEU 45 HB2 LEU 45 -10.027 -2.813 -5.203 363 HB3 LEU 45 HB1 LEU 45 -10.559 -4.096 -4.145 364 HG LEU 45 HG LEU 45 -7.831 -3.942 -5.422 365 HD11 LEU 45 HD21 LEU 45 -7.024 -3.426 -3.186 366 HD12 LEU 45 HD22 LEU 45 -8.678 -3.434 -2.574 367 HD13 LEU 45 HD23 LEU 45 -8.174 -2.205 -3.734 368 HD21 LEU 45 HD11 LEU 45 -7.272 -5.786 -3.922 369 HD22 LEU 45 HD12 LEU 45 -8.564 -6.234 -5.036 370 HD23 LEU 45 HD13 LEU 45 -8.942 -5.838 -3.359 371 H CYS 46 HN CYS 46 -10.557 -3.058 -8.163 372 HA CYS 46 HA CYS 46 -13.469 -2.692 -7.929 373 HB2 CYS 46 HB2 CYS 46 -12.213 -0.653 -7.309 374 HB3 CYS 46 HB1 CYS 46 -11.440 -0.665 -8.889 375 HG CYS 46 HG CYS 46 -13.405 1.341 -8.810 376 H GLU 47 HN GLU 47 -14.608 -2.321 -9.929 377 HA GLU 47 HA GLU 47 -13.384 -3.790 -12.139 378 HB2 GLU 47 HB2 GLU 47 -15.643 -3.988 -13.030 379 HB3 GLU 47 HB1 GLU 47 -15.599 -4.513 -11.353 380 HG2 GLU 47 HG2 GLU 47 -16.520 -2.354 -10.659 381 HG3 GLU 47 HG1 GLU 47 -16.581 -1.847 -12.346 382 H ARG 48 HN ARG 48 -14.240 -0.602 -11.223 383 HA ARG 48 HA ARG 48 -13.867 0.320 -13.998 384 HB2 ARG 48 HB2 ARG 48 -15.098 2.360 -13.329 385 HB3 ARG 48 HB1 ARG 48 -16.064 0.900 -13.172 386 HG2 ARG 48 HG2 ARG 48 -15.622 0.878 -10.760 387 HG3 ARG 48 HG1 ARG 48 -14.692 2.368 -10.931 388 HD2 ARG 48 HD1 ARG 48 -16.952 2.838 -10.156 389 HD3 ARG 48 HD2 ARG 48 -16.680 3.518 -11.760 390 HE ARG 48 HE ARG 48 -17.791 1.087 -12.259 391 HH11 ARG 48 HH11 ARG 48 -18.716 3.832 -10.320 392 HH12 ARG 48 HH12 ARG 48 -20.415 3.555 -10.508 393 HH21 ARG 48 HH21 ARG 48 -20.027 0.716 -12.513 394 HH22 ARG 48 HH22 ARG 48 -21.160 1.785 -11.755 395 H TYR 49 HN TYR 49 -11.973 -0.194 -11.583 396 HA TYR 49 HA TYR 49 -10.875 2.327 -10.909 397 HB2 TYR 49 HB2 TYR 49 -10.586 -0.154 -9.885 398 HB3 TYR 49 HB1 TYR 49 -9.097 -0.037 -10.818 399 HD1 TYR 49 HD1 TYR 49 -7.551 1.927 -10.375 400 HD2 TYR 49 HD2 TYR 49 -10.795 0.926 -7.814 401 HE1 TYR 49 HE1 TYR 49 -6.529 3.252 -8.573 402 HE2 TYR 49 HE2 TYR 49 -9.785 2.243 -6.006 403 HH TYR 49 HH TYR 49 -7.572 3.077 -5.346 404 H ASN 50 HN ASN 50 -10.506 3.465 -12.776 405 HA ASN 50 HA ASN 50 -8.819 2.411 -14.865 406 HB2 ASN 50 HB1 ASN 50 -9.868 5.219 -14.446 407 HB3 ASN 50 HB2 ASN 50 -9.100 4.614 -15.911 408 HD21 ASN 50 HD21 ASN 50 -10.389 2.003 -15.695 409 HD22 ASN 50 HD22 ASN 50 -12.031 2.243 -16.171 410 H GLY 51 HN GLY 51 -8.375 4.169 -11.940 411 HA2 GLY 51 HA1 GLY 51 -5.766 3.928 -11.534 412 HA3 GLY 51 HA2 GLY 51 -5.763 5.198 -12.748 413 H ALA 52 HN ALA 52 -4.612 5.869 -10.464 414 HA ALA 52 HA ALA 52 -6.212 8.027 -9.519 415 HB1 ALA 52 HB1 ALA 52 -7.240 6.221 -8.223 416 HB2 ALA 52 HB2 ALA 52 -6.400 7.373 -7.185 417 HB3 ALA 52 HB3 ALA 52 -5.662 5.814 -7.548 418 H TYR 53 HN TYR 53 -5.075 9.236 -7.716 419 HA TYR 53 HA TYR 53 -2.245 9.317 -8.337 420 HB2 TYR 53 HB2 TYR 53 -4.165 11.140 -6.946 421 HB3 TYR 53 HB1 TYR 53 -2.442 11.321 -6.638 422 HD1 TYR 53 HD2 TYR 53 -1.074 11.067 -9.048 423 HD2 TYR 53 HD1 TYR 53 -4.968 12.675 -8.460 424 HE1 TYR 53 HE2 TYR 53 -0.832 12.388 -11.110 425 HE2 TYR 53 HE1 TYR 53 -4.740 13.998 -10.521 426 HH TYR 53 HH TYR 53 -2.951 14.908 -11.938 427 H TRP 54 HN TRP 54 -1.431 7.501 -7.356 428 HA TRP 54 HA TRP 54 -1.889 6.827 -4.637 429 HB2 TRP 54 HB1 TRP 54 0.570 5.901 -6.049 430 HB3 TRP 54 HB2 TRP 54 -0.553 4.996 -5.037 431 HD1 TRP 54 HD1 TRP 54 -3.108 4.648 -6.302 432 HE1 TRP 54 HE1 TRP 54 -3.534 3.948 -8.738 433 HE3 TRP 54 HE3 TRP 54 1.428 5.891 -8.311 434 HZ2 TRP 54 HZ2 TRP 54 -2.135 3.923 -11.189 435 HZ3 TRP 54 HZ3 TRP 54 1.801 5.497 -10.710 436 HH2 TRP 54 HH2 TRP 54 0.054 4.534 -12.119 437 H HIS 55 HN HIS 55 -1.476 8.928 -3.690 438 HA HIS 55 HA HIS 55 0.908 10.303 -3.659 439 HB2 HIS 55 HB2 HIS 55 -1.029 9.945 -1.365 440 HB3 HIS 55 HB1 HIS 55 0.208 11.193 -1.465 441 HD1 HIS 55 HD1 HIS 55 -0.184 13.111 -3.193 442 HD2 HIS 55 HD2 HIS 55 -3.339 10.435 -2.813 443 HE1 HIS 55 HE1 HIS 55 -2.148 14.227 -4.299 444 HE2 HIS 55 HE2 HIS 55 -4.065 12.622 -3.987 445 H TYR 56 HN TYR 56 2.721 10.303 -2.373 446 HA TYR 56 HA TYR 56 3.421 7.707 -1.247 447 HB2 TYR 56 HB2 TYR 56 5.205 10.126 -1.584 448 HB3 TYR 56 HB1 TYR 56 5.708 8.465 -1.294 449 HD1 TYR 56 HD1 TYR 56 3.452 7.496 -3.390 450 HD2 TYR 56 HD2 TYR 56 6.755 10.177 -3.511 451 HE1 TYR 56 HE1 TYR 56 3.645 7.141 -5.814 452 HE2 TYR 56 HE2 TYR 56 6.954 9.829 -5.936 453 HH TYR 56 HH TYR 56 6.345 8.163 -7.615 454 H TYR 57 HN TYR 57 3.762 7.335 0.881 455 HA TYR 57 HA TYR 57 3.483 9.636 2.699 456 HB2 TYR 57 HB1 TYR 57 2.188 6.935 2.816 457 HB3 TYR 57 HB2 TYR 57 2.459 7.855 4.292 458 HD1 TYR 57 HD2 TYR 57 1.258 9.930 4.704 459 HD2 TYR 57 HD1 TYR 57 0.550 7.659 1.176 460 HE1 TYR 57 HE2 TYR 57 -0.799 11.210 4.302 461 HE2 TYR 57 HE1 TYR 57 -1.512 8.933 0.765 462 HH TYR 57 HH TYR 57 -3.143 10.261 2.044 463 H ALA 58 HN ALA 58 4.743 9.713 4.504 464 HA ALA 58 HA ALA 58 6.939 7.761 4.616 465 HB1 ALA 58 HB1 ALA 58 6.877 10.603 5.623 466 HB2 ALA 58 HB2 ALA 58 7.625 10.060 4.122 467 HB3 ALA 58 HB3 ALA 58 8.261 9.512 5.674 468 H LEU 59 HN LEU 59 6.552 6.275 6.124 469 HA LEU 59 HA LEU 59 5.042 6.926 8.508 470 HB2 LEU 59 HB2 LEU 59 6.045 4.434 7.228 471 HB3 LEU 59 HB1 LEU 59 5.700 4.397 8.947 472 HG LEU 59 HG LEU 59 3.653 5.399 6.994 473 HD11 LEU 59 HD21 LEU 59 2.719 3.146 6.888 474 HD12 LEU 59 HD22 LEU 59 4.112 2.527 7.777 475 HD13 LEU 59 HD23 LEU 59 4.327 3.220 6.168 476 HD21 LEU 59 HD11 LEU 59 3.462 4.099 9.705 477 HD22 LEU 59 HD12 LEU 59 2.105 4.661 8.728 478 HD23 LEU 59 HD13 LEU 59 3.276 5.818 9.360 479 H SER 60 HN SER 60 5.808 6.527 10.649 480 HA SER 60 HA SER 60 8.338 7.638 11.166 481 HB2 SER 60 HB2 SER 60 6.476 7.790 12.756 482 HB3 SER 60 HB1 SER 60 6.546 6.048 13.016 483 HG SER 60 HG SER 60 7.671 7.233 14.632 484 H ASP 61 HN ASP 61 7.266 4.331 10.820 485 HA ASP 61 HA ASP 61 9.727 3.240 11.884 486 HB2 ASP 61 HB1 ASP 61 7.390 1.903 10.507 487 HB3 ASP 61 HB2 ASP 61 8.758 1.050 11.214 488 H GLY 62 HN GLY 62 8.984 4.731 9.073 489 HA2 GLY 62 HA1 GLY 62 10.272 4.959 7.161 490 HA3 GLY 62 HA2 GLY 62 11.308 3.664 7.746 491 H GLY 63 HN GLY 63 8.085 2.741 7.851 492 HA2 GLY 63 HA1 GLY 63 8.383 0.699 5.948 493 HA3 GLY 63 HA2 GLY 63 6.855 1.242 6.624 494 H PHE 64 HN PHE 64 6.706 3.818 5.708 495 HA PHE 64 HA PHE 64 6.042 5.064 3.938 496 HB2 PHE 64 HB1 PHE 64 8.134 5.257 3.015 497 HB3 PHE 64 HB2 PHE 64 8.333 3.519 2.823 498 HD1 PHE 64 HD2 PHE 64 6.590 6.474 1.423 499 HD2 PHE 64 HD1 PHE 64 7.922 2.486 0.772 500 HE1 PHE 64 HE2 PHE 64 6.016 6.676 -0.959 501 HE2 PHE 64 HE1 PHE 64 7.351 2.681 -1.614 502 HZ PHE 64 HZ PHE 64 6.395 4.778 -2.481 503 H TYR 65 HN TYR 65 4.085 4.886 3.146 504 HA TYR 65 HA TYR 65 3.435 2.564 1.470 505 HB2 TYR 65 HB2 TYR 65 1.495 2.039 2.599 506 HB3 TYR 65 HB1 TYR 65 2.504 2.567 3.941 507 HD1 TYR 65 HD2 TYR 65 2.115 4.764 4.998 508 HD2 TYR 65 HD1 TYR 65 -0.436 3.285 1.929 509 HE1 TYR 65 HE2 TYR 65 0.414 6.427 5.618 510 HE2 TYR 65 HE1 TYR 65 -2.141 4.948 2.540 511 HH TYR 65 HH TYR 65 -1.501 7.574 4.586 512 H MET 66 HN MET 66 1.757 2.937 -0.087 513 HA MET 66 HA MET 66 1.380 5.800 -0.704 514 HB2 MET 66 HB2 MET 66 1.434 3.494 -2.657 515 HB3 MET 66 HB1 MET 66 1.313 5.203 -3.053 516 HG2 MET 66 HG1 MET 66 3.561 5.484 -1.928 517 HG3 MET 66 HG2 MET 66 3.667 3.724 -1.925 518 HE1 MET 66 HE1 MET 66 3.422 2.285 -4.329 519 HE2 MET 66 HE2 MET 66 3.241 3.123 -5.870 520 HE3 MET 66 HE3 MET 66 1.984 3.255 -4.642 521 H ALA 67 HN ALA 67 -0.617 6.531 -1.276 522 HA ALA 67 HA ALA 67 -2.831 4.595 -1.277 523 HB1 ALA 67 HB1 ALA 67 -2.830 7.170 0.292 524 HB2 ALA 67 HB2 ALA 67 -2.653 5.555 0.978 525 HB3 ALA 67 HB3 ALA 67 -4.156 6.013 0.178 526 HA PRO 68 HA PRO 68 -4.087 6.880 -4.866 527 HB2 PRO 68 HB2 PRO 68 -6.699 6.112 -4.958 528 HB3 PRO 68 HB1 PRO 68 -5.366 5.064 -5.453 529 HG2 PRO 68 HG2 PRO 68 -6.868 5.122 -2.863 530 HG3 PRO 68 HG1 PRO 68 -6.358 3.725 -3.829 531 HD2 PRO 68 HD2 PRO 68 -5.003 4.528 -1.638 532 HD3 PRO 68 HD1 PRO 68 -4.186 3.816 -3.044 533 H ASP 69 HN ASP 69 -5.568 8.599 -5.505 534 HA ASP 69 HA ASP 69 -6.423 10.178 -3.185 535 HB2 ASP 69 HB2 ASP 69 -4.744 11.168 -4.730 536 HB3 ASP 69 HB1 ASP 69 -5.935 11.091 -6.024 537 H LEU 70 HN LEU 70 -8.463 9.166 -2.884 538 HA LEU 70 HA LEU 70 -10.496 10.136 -4.757 539 HB2 LEU 70 HB2 LEU 70 -10.235 7.292 -3.793 540 HB3 LEU 70 HB1 LEU 70 -11.749 7.946 -4.376 541 HG LEU 70 HG LEU 70 -10.863 6.787 -6.199 542 HD11 LEU 70 HD11 LEU 70 -10.052 9.666 -6.555 543 HD12 LEU 70 HD12 LEU 70 -11.652 8.982 -6.846 544 HD13 LEU 70 HD13 LEU 70 -10.288 8.497 -7.854 545 HD21 LEU 70 HD21 LEU 70 -8.205 8.087 -5.656 546 HD22 LEU 70 HD22 LEU 70 -8.566 6.979 -6.978 547 HD23 LEU 70 HD23 LEU 70 -8.635 6.414 -5.309 548 H ALA 71 HN ALA 71 -11.501 11.572 -3.470 549 HA ALA 71 HA ALA 71 -11.956 10.947 -0.663 550 HB1 ALA 71 HB1 ALA 71 -12.609 13.447 -2.222 551 HB2 ALA 71 HB2 ALA 71 -11.153 13.180 -1.265 552 HB3 ALA 71 HB3 ALA 71 -12.725 13.251 -0.473 553 H GLY 72 HN GLY 72 -13.712 9.858 -0.086 554 HA2 GLY 72 HA1 GLY 72 -16.239 10.314 -0.041 555 HA3 GLY 72 HA2 GLY 72 -16.117 10.058 -1.775 556 H ARG 73 HN ARG 73 -17.561 8.304 -1.655 557 HA ARG 73 HA ARG 73 -16.464 5.892 -0.386 558 HB2 ARG 73 HB1 ARG 73 -19.339 6.592 -1.008 559 HB3 ARG 73 HB2 ARG 73 -18.800 5.049 -0.363 560 HG2 ARG 73 HG1 ARG 73 -18.052 6.095 1.666 561 HG3 ARG 73 HG2 ARG 73 -18.407 7.696 1.013 562 HD2 ARG 73 HD2 ARG 73 -20.146 6.903 2.565 563 HD3 ARG 73 HD1 ARG 73 -20.766 7.188 0.939 564 HE ARG 73 HE ARG 73 -19.979 4.462 1.529 565 HH11 ARG 73 HH11 ARG 73 -22.556 6.804 1.397 566 HH12 ARG 73 HH12 ARG 73 -23.808 5.611 1.297 567 HH21 ARG 73 HH21 ARG 73 -21.621 2.885 1.397 568 HH22 ARG 73 HH22 ARG 73 -23.277 3.384 1.297 569 H LEU 74 HN LEU 74 -15.665 4.488 -1.750 570 HA LEU 74 HA LEU 74 -16.868 4.231 -4.423 571 HB2 LEU 74 HB1 LEU 74 -14.601 3.692 -5.291 572 HB3 LEU 74 HB2 LEU 74 -14.784 5.347 -4.745 573 HG LEU 74 HG LEU 74 -13.618 3.301 -2.895 574 HD11 LEU 74 HD11 LEU 74 -12.373 3.052 -4.978 575 HD12 LEU 74 HD12 LEU 74 -11.388 3.836 -3.744 576 HD13 LEU 74 HD13 LEU 74 -12.107 4.794 -5.037 577 HD21 LEU 74 HD21 LEU 74 -12.440 5.263 -2.027 578 HD22 LEU 74 HD22 LEU 74 -14.187 5.505 -2.016 579 HD23 LEU 74 HD23 LEU 74 -13.200 6.267 -3.263 580 H GLU 75 HN GLU 75 -17.577 2.264 -4.873 581 HA GLU 75 HA GLU 75 -17.398 0.130 -3.050 582 HB2 GLU 75 HB1 GLU 75 -18.417 -1.221 -4.894 583 HB3 GLU 75 HB2 GLU 75 -19.286 0.260 -4.518 584 HG2 GLU 75 HG2 GLU 75 -18.268 1.353 -6.446 585 HG3 GLU 75 HG1 GLU 75 -17.387 -0.127 -6.822 586 H ILE 76 HN ILE 76 -15.638 -0.974 -2.594 587 HA ILE 76 HA ILE 76 -13.895 -1.823 -4.809 588 HB ILE 76 HB ILE 76 -13.173 -0.604 -2.189 589 HG12 ILE 76 HG12 ILE 76 -13.061 0.443 -4.566 590 HG13 ILE 76 HG11 ILE 76 -11.713 0.694 -3.462 591 HG21 ILE 76 HG21 ILE 76 -11.613 -2.795 -3.522 592 HG22 ILE 76 HG22 ILE 76 -12.112 -2.672 -1.835 593 HG23 ILE 76 HG23 ILE 76 -10.854 -1.606 -2.464 594 HD11 ILE 76 HD11 ILE 76 -11.814 -1.367 -5.651 595 HD12 ILE 76 HD12 ILE 76 -10.450 -1.041 -4.582 596 HD13 ILE 76 HD13 ILE 76 -10.978 0.185 -5.734 597 H GLU 77 HN GLU 77 -14.403 -3.910 -5.074 598 HA GLU 77 HA GLU 77 -15.048 -5.611 -2.846 599 HB2 GLU 77 HB1 GLU 77 -15.307 -7.387 -4.493 600 HB3 GLU 77 HB2 GLU 77 -16.142 -5.936 -5.027 601 HG2 GLU 77 HG1 GLU 77 -14.321 -5.425 -6.550 602 HG3 GLU 77 HG2 GLU 77 -13.446 -6.852 -5.997 603 H VAL 78 HN VAL 78 -13.681 -6.749 -1.663 604 HA VAL 78 HA VAL 78 -10.866 -6.719 -2.369 605 HB VAL 78 HB VAL 78 -12.217 -7.689 0.149 606 HG11 VAL 78 HG11 VAL 78 -10.000 -7.457 1.142 607 HG12 VAL 78 HG12 VAL 78 -9.345 -7.034 -0.439 608 HG13 VAL 78 HG13 VAL 78 -10.021 -8.639 -0.166 609 HG21 VAL 78 HG21 VAL 78 -11.526 -5.545 1.123 610 HG22 VAL 78 HG22 VAL 78 -12.654 -5.319 -0.214 611 HG23 VAL 78 HG23 VAL 78 -10.932 -5.025 -0.453 612 H ASN 79 HN ASN 79 -10.777 -8.320 -4.045 613 HA ASN 79 HA ASN 79 -11.825 -10.936 -3.613 614 HB2 ASN 79 HB1 ASN 79 -10.841 -11.488 -5.716 615 HB3 ASN 79 HB2 ASN 79 -11.457 -9.846 -5.855 616 HD21 ASN 79 HD21 ASN 79 -9.179 -8.826 -4.216 617 HD22 ASN 79 HD22 ASN 79 -7.839 -8.792 -5.301 618 H GLY 80 HN GLY 80 -9.758 -9.741 -1.698 619 HA2 GLY 80 HA1 GLY 80 -7.591 -11.694 -1.962 620 HA3 GLY 80 HA2 GLY 80 -7.636 -10.340 -0.839 621 H ASN 81 HN ASN 81 -10.505 -11.156 -0.272 622 HA ASN 81 HA ASN 81 -10.262 -13.680 1.093 623 HB2 ASN 81 HB2 ASN 81 -10.566 -12.874 3.314 624 HB3 ASN 81 HB1 ASN 81 -9.209 -11.983 2.636 625 HD21 ASN 81 HD21 ASN 81 -9.483 -9.811 2.080 626 HD22 ASN 81 HD22 ASN 81 -10.783 -8.872 2.721 627 H GLY 82 HN GLY 82 -11.972 -11.856 -0.821 628 HA2 GLY 82 HA1 GLY 82 -14.167 -11.971 -1.486 629 HA3 GLY 82 HA2 GLY 82 -14.453 -13.109 -0.180 630 H PHE 83 HN PHE 83 -13.050 -10.109 0.748 631 HA PHE 83 HA PHE 83 -15.492 -9.422 2.142 632 HB2 PHE 83 HB2 PHE 83 -13.437 -9.260 3.393 633 HB3 PHE 83 HB1 PHE 83 -12.732 -8.193 2.182 634 HD1 PHE 83 HD1 PHE 83 -15.816 -8.329 4.286 635 HD2 PHE 83 HD2 PHE 83 -12.623 -5.982 2.737 636 HE1 PHE 83 HE1 PHE 83 -16.659 -6.375 5.522 637 HE2 PHE 83 HE2 PHE 83 -13.459 -4.024 3.970 638 HZ PHE 83 HZ PHE 83 -15.480 -4.219 5.365 639 H ARG 84 HN ARG 84 -16.924 -8.677 0.627 640 HA ARG 84 HA ARG 84 -16.157 -6.559 -1.192 641 HB2 ARG 84 HB2 ARG 84 -17.751 -8.281 -1.923 642 HB3 ARG 84 HB1 ARG 84 -18.858 -7.810 -0.642 643 HG2 ARG 84 HG1 ARG 84 -19.136 -5.621 -1.660 644 HG3 ARG 84 HG2 ARG 84 -17.986 -6.053 -2.927 645 HD2 ARG 84 HD2 ARG 84 -19.465 -7.844 -3.672 646 HD3 ARG 84 HD1 ARG 84 -20.606 -7.447 -2.388 647 HE ARG 84 HE ARG 84 -20.301 -5.120 -3.789 648 HH11 ARG 84 HH11 ARG 84 -21.247 -8.379 -4.583 649 HH12 ARG 84 HH12 ARG 84 -22.286 -7.896 -5.881 650 HH21 ARG 84 HH21 ARG 84 -21.667 -4.477 -5.496 651 HH22 ARG 84 HH22 ARG 84 -22.525 -5.680 -6.401 652 H GLY 85 HN GLY 85 -15.968 -4.543 -0.439 653 HA2 GLY 85 HA2 GLY 85 -18.141 -3.360 1.034 654 HA3 GLY 85 HA1 GLY 85 -16.706 -3.583 2.021 655 H GLU 86 HN GLU 86 -18.232 -1.210 0.825 656 HA GLU 86 HA GLU 86 -16.416 0.099 -0.933 657 HB2 GLU 86 HB1 GLU 86 -18.526 1.333 0.851 658 HB3 GLU 86 HB2 GLU 86 -17.774 2.084 -0.550 659 HG2 GLU 86 HG2 GLU 86 -18.800 0.443 -2.011 660 HG3 GLU 86 HG1 GLU 86 -19.509 -0.375 -0.620 661 H LEU 87 HN LEU 87 -14.742 1.470 -0.489 662 HA LEU 87 HA LEU 87 -14.296 2.366 2.241 663 HB2 LEU 87 HB1 LEU 87 -13.243 0.054 1.875 664 HB3 LEU 87 HB2 LEU 87 -12.107 0.871 0.822 665 HG LEU 87 HG LEU 87 -11.362 2.267 2.704 666 HD11 LEU 87 HD11 LEU 87 -13.267 0.589 4.331 667 HD12 LEU 87 HD12 LEU 87 -13.428 2.312 3.987 668 HD13 LEU 87 HD13 LEU 87 -12.090 1.732 4.979 669 HD21 LEU 87 HD21 LEU 87 -10.188 0.195 2.232 670 HD22 LEU 87 HD22 LEU 87 -11.315 -0.697 3.254 671 HD23 LEU 87 HD23 LEU 87 -10.230 0.495 3.969 672 H SER 88 HN SER 88 -12.889 4.132 2.405 673 HA SER 88 HA SER 88 -12.827 5.860 0.185 674 HB2 SER 88 HB1 SER 88 -11.239 5.997 2.761 675 HB3 SER 88 HB2 SER 88 -11.448 7.323 1.616 676 HG SER 88 HG SER 88 -13.814 6.197 2.386 677 H ALA 89 HN ALA 89 -10.391 7.035 0.039 678 HA ALA 89 HA ALA 89 -8.876 5.034 -1.423 679 HB1 ALA 89 HB1 ALA 89 -8.143 7.932 -1.202 680 HB2 ALA 89 HB2 ALA 89 -9.444 7.391 -2.258 681 HB3 ALA 89 HB3 ALA 89 -7.802 6.799 -2.510 682 H ASP 90 HN ASP 90 -8.799 6.583 1.605 683 HA ASP 90 HA ASP 90 -5.953 6.289 2.001 684 HB2 ASP 90 HB2 ASP 90 -7.102 8.160 3.059 685 HB3 ASP 90 HB1 ASP 90 -8.166 7.052 3.919 686 H ALA 91 HN ALA 91 -8.851 4.933 3.599 687 HA ALA 91 HA ALA 91 -7.431 2.957 5.024 688 HB1 ALA 91 HB1 ALA 91 -10.345 2.965 4.251 689 HB2 ALA 91 HB2 ALA 91 -9.660 3.754 5.672 690 HB3 ALA 91 HB3 ALA 91 -9.602 1.997 5.523 691 H ALA 92 HN ALA 92 -8.382 3.118 1.735 692 HA ALA 92 HA ALA 92 -8.292 0.220 1.394 693 HB1 ALA 92 HB1 ALA 92 -8.812 2.383 -0.645 694 HB2 ALA 92 HB2 ALA 92 -10.047 1.471 0.223 695 HB3 ALA 92 HB3 ALA 92 -8.971 0.645 -0.904 696 H GLY 93 HN GLY 93 -6.515 3.142 0.541 697 HA2 GLY 93 HA2 GLY 93 -4.628 2.039 -1.193 698 HA3 GLY 93 HA1 GLY 93 -4.346 3.435 -0.159 699 H ILE 94 HN ILE 94 -5.052 1.621 2.179 700 HA ILE 94 HA ILE 94 -2.380 0.909 2.866 701 HB ILE 94 HB ILE 94 -4.753 -0.237 4.296 702 HG12 ILE 94 HG12 ILE 94 -5.389 2.077 3.900 703 HG13 ILE 94 HG11 ILE 94 -4.950 1.864 5.592 704 HG21 ILE 94 HG21 ILE 94 -3.335 0.164 6.265 705 HG22 ILE 94 HG22 ILE 94 -2.087 0.827 5.210 706 HG23 ILE 94 HG23 ILE 94 -2.551 -0.868 5.069 707 HD11 ILE 94 HD11 ILE 94 -4.117 3.961 4.596 708 HD12 ILE 94 HD12 ILE 94 -3.122 3.005 3.497 709 HD13 ILE 94 HD13 ILE 94 -2.837 2.929 5.236 710 H VAL 95 HN VAL 95 -5.223 -0.881 1.815 711 HA VAL 95 HA VAL 95 -4.026 -3.464 2.063 712 HB VAL 95 HB VAL 95 -6.455 -2.667 0.453 713 HG11 VAL 95 HG21 VAL 95 -5.583 -4.872 -0.109 714 HG12 VAL 95 HG22 VAL 95 -7.121 -5.004 0.744 715 HG13 VAL 95 HG23 VAL 95 -5.610 -5.328 1.594 716 HG21 VAL 95 HG11 VAL 95 -7.767 -3.285 2.419 717 HG22 VAL 95 HG12 VAL 95 -6.674 -1.949 2.779 718 HG23 VAL 95 HG13 VAL 95 -6.282 -3.580 3.324 719 H ALA 96 HN ALA 96 -4.241 -1.045 -0.450 720 HA ALA 96 HA ALA 96 -3.609 -2.741 -2.639 721 HB1 ALA 96 HB1 ALA 96 -4.694 -0.558 -2.913 722 HB2 ALA 96 HB2 ALA 96 -3.222 -0.687 -3.875 723 HB3 ALA 96 HB3 ALA 96 -3.214 0.237 -2.374 724 H THR 97 HN THR 97 -1.643 -0.588 -0.604 725 HA THR 97 HA THR 97 0.793 -1.198 -1.964 726 HB THR 97 HB THR 97 0.660 0.912 -0.848 727 HG1 THR 97 HG1 THR 97 2.450 0.460 0.827 728 HG21 THR 97 HG21 THR 97 0.315 -0.578 1.753 729 HG22 THR 97 HG22 THR 97 -0.990 0.222 0.877 730 HG23 THR 97 HG23 THR 97 0.345 1.171 1.527 731 H LEU 98 HN LEU 98 -0.688 -2.292 1.073 732 HA LEU 98 HA LEU 98 1.408 -3.833 2.045 733 HB2 LEU 98 HB2 LEU 98 -1.571 -4.077 2.307 734 HB3 LEU 98 HB1 LEU 98 -0.510 -5.266 3.036 735 HG LEU 98 HG LEU 98 -0.416 -2.306 3.625 736 HD11 LEU 98 HD21 LEU 98 -2.505 -3.284 4.405 737 HD12 LEU 98 HD22 LEU 98 -1.450 -2.883 5.759 738 HD13 LEU 98 HD23 LEU 98 -1.610 -4.558 5.232 739 HD21 LEU 98 HD11 LEU 98 1.720 -3.417 3.958 740 HD22 LEU 98 HD12 LEU 98 0.939 -4.656 4.940 741 HD23 LEU 98 HD13 LEU 98 0.997 -2.986 5.507 742 H PHE 99 HN PHE 99 -1.264 -4.860 -0.084 743 HA PHE 99 HA PHE 99 -0.486 -7.518 -0.392 744 HB2 PHE 99 HB2 PHE 99 -2.211 -5.630 -1.873 745 HB3 PHE 99 HB1 PHE 99 -1.612 -6.998 -2.805 746 HD1 PHE 99 HD2 PHE 99 -3.702 -5.970 0.025 747 HD2 PHE 99 HD1 PHE 99 -2.331 -9.237 -2.335 748 HE1 PHE 99 HE2 PHE 99 -5.457 -7.399 0.986 749 HE2 PHE 99 HE1 PHE 99 -4.085 -10.670 -1.378 750 HZ PHE 99 HZ PHE 99 -5.651 -9.752 0.286 751 H ALA 100 HN ALA 100 0.698 -4.612 -1.914 752 HA ALA 100 HA ALA 100 2.115 -5.878 -4.029 753 HB1 ALA 100 HB1 ALA 100 3.220 -3.726 -4.321 754 HB2 ALA 100 HB2 ALA 100 2.584 -3.176 -2.771 755 HB3 ALA 100 HB3 ALA 100 1.483 -3.514 -4.106 756 H LEU 101 HN LEU 101 2.982 -4.840 -0.770 757 HA LEU 101 HA LEU 101 5.736 -5.268 -0.886 758 HB2 LEU 101 HB2 LEU 101 3.906 -5.668 1.483 759 HB3 LEU 101 HB1 LEU 101 5.643 -5.449 1.555 760 HG LEU 101 HG LEU 101 3.707 -3.374 0.522 761 HD11 LEU 101 HD21 LEU 101 3.353 -3.765 2.898 762 HD12 LEU 101 HD22 LEU 101 4.127 -2.204 2.630 763 HD13 LEU 101 HD23 LEU 101 5.080 -3.574 3.200 764 HD21 LEU 101 HD11 LEU 101 5.946 -3.192 -0.423 765 HD22 LEU 101 HD12 LEU 101 6.639 -3.205 1.198 766 HD23 LEU 101 HD13 LEU 101 5.615 -1.864 0.688 767 H GLY 102 HN GLY 102 3.110 -7.510 -0.086 768 HA2 GLY 102 HA2 GLY 102 4.760 -9.688 0.639 769 HA3 GLY 102 HA1 GLY 102 3.071 -9.788 0.171 770 H GLN 103 HN GLN 103 3.605 -8.589 -2.492 771 HA GLN 103 HA GLN 103 4.280 -11.061 -3.808 772 HB2 GLN 103 HB2 GLN 103 2.464 -9.632 -4.649 773 HB3 GLN 103 HB1 GLN 103 3.627 -8.357 -4.991 774 HG2 GLN 103 HG1 GLN 103 4.748 -9.814 -6.605 775 HG3 GLN 103 HG2 GLN 103 3.576 -11.086 -6.265 776 HE21 GLN 103 HE21 GLN 103 1.354 -9.222 -6.030 777 HE22 GLN 103 HE22 GLN 103 0.970 -8.727 -7.639 778 H LEU 104 HN LEU 104 5.676 -7.790 -3.716 779 HA LEU 104 HA LEU 104 7.803 -8.228 -5.458 780 HB2 LEU 104 HB1 LEU 104 7.564 -6.403 -3.073 781 HB3 LEU 104 HB2 LEU 104 8.933 -6.374 -4.167 782 HG LEU 104 HG LEU 104 6.067 -5.832 -4.953 783 HD11 LEU 104 HD21 LEU 104 6.811 -3.512 -5.220 784 HD12 LEU 104 HD22 LEU 104 8.389 -3.950 -4.566 785 HD13 LEU 104 HD23 LEU 104 6.952 -4.060 -3.549 786 HD21 LEU 104 HD11 LEU 104 7.355 -6.801 -6.773 787 HD22 LEU 104 HD12 LEU 104 8.628 -5.607 -6.526 788 HD23 LEU 104 HD13 LEU 104 7.034 -5.094 -7.078 789 H ALA 105 HN ALA 105 7.321 -9.317 -2.226 790 HA ALA 105 HA ALA 105 10.106 -9.882 -1.713 791 HB1 ALA 105 HB1 ALA 105 9.315 -10.890 0.357 792 HB2 ALA 105 HB2 ALA 105 7.646 -10.754 -0.200 793 HB3 ALA 105 HB3 ALA 105 8.590 -9.300 0.121 794 H ALA 106 HN ALA 106 7.257 -11.627 -2.800 795 HA ALA 106 HA ALA 106 8.635 -14.183 -2.755 796 HB1 ALA 106 HB1 ALA 106 6.530 -15.112 -3.540 797 HB2 ALA 106 HB2 ALA 106 5.884 -13.488 -3.777 798 HB3 ALA 106 HB3 ALA 106 6.260 -14.058 -2.151 799 H GLU 107 HN GLU 107 8.434 -11.571 -4.840 800 HA GLU 107 HA GLU 107 8.565 -13.095 -7.302 801 HB2 GLU 107 HB2 GLU 107 7.400 -10.902 -7.186 802 HB3 GLU 107 HB1 GLU 107 8.943 -10.130 -6.851 803 HG2 GLU 107 HG2 GLU 107 8.334 -9.868 -9.178 804 HG3 GLU 107 HG1 GLU 107 9.786 -10.856 -9.021 805 H ILE 108 HN ILE 108 10.722 -11.211 -5.238 806 HA ILE 108 HA ILE 108 12.984 -11.434 -6.967 807 HB ILE 108 HB ILE 108 14.283 -10.665 -4.973 808 HG12 ILE 108 HG11 ILE 108 11.549 -10.578 -3.673 809 HG13 ILE 108 HG12 ILE 108 12.840 -11.699 -3.253 810 HG21 ILE 108 HG21 ILE 108 11.833 -9.061 -5.694 811 HG22 ILE 108 HG22 ILE 108 13.366 -9.078 -6.566 812 HG23 ILE 108 HG23 ILE 108 13.288 -8.421 -4.931 813 HD11 ILE 108 HD11 ILE 108 12.690 -9.867 -1.664 814 HD12 ILE 108 HD12 ILE 108 12.954 -8.708 -2.967 815 HD13 ILE 108 HD13 ILE 108 14.229 -9.842 -2.524 816 H ALA 109 HN ALA 109 11.407 -13.720 -5.195 817 HA ALA 109 HA ALA 109 11.903 -15.814 -4.460 818 HB1 ALA 109 HB1 ALA 109 12.749 -16.049 -6.744 819 HB2 ALA 109 HB2 ALA 109 13.693 -17.006 -5.602 820 HB3 ALA 109 HB3 ALA 109 14.334 -15.481 -6.215 821 H ASP 110 HN ASP 110 14.261 -17.102 -3.830 822 HA ASP 110 HA ASP 110 15.754 -17.376 -2.140 823 HB2 ASP 110 HB1 ASP 110 16.106 -14.384 -2.433 824 HB3 ASP 110 HB2 ASP 110 17.191 -15.458 -1.554 825 H THR 111 HN THR 111 16.411 -16.162 0.121 826 HA THR 111 HA THR 111 13.883 -15.444 1.446 827 HB THR 111 HB THR 111 14.350 -17.784 1.965 828 HG1 THR 111 HG1 THR 111 15.079 -16.797 4.396 829 HG21 THR 111 HG21 THR 111 16.364 -18.418 3.212 830 HG22 THR 111 HG22 THR 111 16.976 -16.772 3.065 831 HG23 THR 111 HG23 THR 111 16.774 -17.769 1.625 832 H ASP 112 HN ASP 112 16.739 -14.299 0.579 833 HA ASP 112 HA ASP 112 17.621 -13.161 3.088 834 HB2 ASP 112 HB1 ASP 112 18.560 -12.592 0.268 835 HB3 ASP 112 HB2 ASP 112 19.363 -12.082 1.751 836 H ALA 113 HN ALA 113 16.808 -11.632 -0.031 837 HA ALA 113 HA ALA 113 16.087 -9.178 1.309 838 HB1 ALA 113 HB1 ALA 113 17.279 -9.127 -0.828 839 HB2 ALA 113 HB2 ALA 113 15.728 -8.294 -0.934 840 HB3 ALA 113 HB3 ALA 113 15.907 -9.913 -1.611 841 H ALA 114 HN ALA 114 14.486 -12.018 0.326 842 HA ALA 114 HA ALA 114 11.898 -10.903 -0.152 843 HB1 ALA 114 HB1 ALA 114 11.116 -13.200 -0.111 844 HB2 ALA 114 HB2 ALA 114 12.656 -13.731 0.568 845 HB3 ALA 114 HB3 ALA 114 12.593 -13.072 -1.067 846 H ASP 115 HN ASP 115 13.695 -11.162 2.597 847 HA ASP 115 HA ASP 115 11.294 -11.169 4.298 848 HB2 ASP 115 HB1 ASP 115 14.004 -12.375 4.872 849 HB3 ASP 115 HB2 ASP 115 12.789 -12.097 6.116 850 H ALA 116 HN ALA 116 13.739 -9.329 3.092 851 HA ALA 116 HA ALA 116 14.254 -7.782 5.500 852 HB1 ALA 116 HB1 ALA 116 16.080 -8.170 3.912 853 HB2 ALA 116 HB2 ALA 116 15.728 -6.450 4.079 854 HB3 ALA 116 HB3 ALA 116 15.168 -7.330 2.658 855 H LEU 117 HN LEU 117 12.844 -7.249 2.283 856 HA LEU 117 HA LEU 117 11.855 -4.664 2.791 857 HB2 LEU 117 HB2 LEU 117 10.647 -4.897 0.761 858 HB3 LEU 117 HB1 LEU 117 12.161 -5.755 0.542 859 HG LEU 117 HG LEU 117 10.658 -7.808 1.351 860 HD11 LEU 117 HD11 LEU 117 8.426 -7.683 0.461 861 HD12 LEU 117 HD12 LEU 117 8.703 -6.031 -0.095 862 HD13 LEU 117 HD13 LEU 117 8.664 -6.385 1.634 863 HD21 LEU 117 HD21 LEU 117 11.891 -7.937 -0.639 864 HD22 LEU 117 HD22 LEU 117 10.954 -6.649 -1.399 865 HD23 LEU 117 HD23 LEU 117 10.213 -8.222 -1.104 866 H ILE 118 HN ILE 118 10.633 -7.864 3.404 867 HA ILE 118 HA ILE 118 7.945 -7.459 3.772 868 HB ILE 118 HB ILE 118 9.884 -9.266 5.192 869 HG12 ILE 118 HG12 ILE 118 9.354 -9.759 2.850 870 HG13 ILE 118 HG11 ILE 118 8.715 -11.007 3.915 871 HG21 ILE 118 HG21 ILE 118 6.895 -9.215 5.604 872 HG22 ILE 118 HG22 ILE 118 8.107 -8.744 6.794 873 HG23 ILE 118 HG23 ILE 118 8.013 -10.418 6.247 874 HD11 ILE 118 HD11 ILE 118 7.133 -8.769 2.674 875 HD12 ILE 118 HD12 ILE 118 6.493 -10.019 3.741 876 HD13 ILE 118 HD13 ILE 118 7.138 -10.456 2.159 877 H ASP 119 HN ASP 119 10.594 -6.448 5.779 878 HA ASP 119 HA ASP 119 9.404 -5.988 8.215 879 HB2 ASP 119 HB2 ASP 119 11.730 -5.006 6.786 880 HB3 ASP 119 HB1 ASP 119 11.026 -3.753 7.801 881 H ARG 120 HN ARG 120 9.315 -3.969 5.313 882 HA ARG 120 HA ARG 120 8.029 -1.740 6.406 883 HB2 ARG 120 HB2 ARG 120 8.062 -2.879 3.617 884 HB3 ARG 120 HB1 ARG 120 7.206 -1.394 4.008 885 HG2 ARG 120 HG2 ARG 120 9.330 -0.804 3.119 886 HG3 ARG 120 HG1 ARG 120 9.358 -0.458 4.850 887 HD2 ARG 120 HD1 ARG 120 10.584 -2.497 5.276 888 HD3 ARG 120 HD2 ARG 120 10.475 -2.951 3.577 889 HE ARG 120 HE ARG 120 11.719 -0.573 3.455 890 HH11 ARG 120 HH11 ARG 120 12.302 -3.424 5.369 891 HH12 ARG 120 HH12 ARG 120 14.011 -3.164 5.471 892 HH21 ARG 120 HH21 ARG 120 13.967 -0.221 3.582 893 HH22 ARG 120 HH22 ARG 120 14.958 -1.342 4.455 894 H TYR 121 HN TYR 121 6.728 -4.749 5.105 895 HA TYR 121 HA TYR 121 4.031 -4.069 5.005 896 HB2 TYR 121 HB2 TYR 121 5.030 -6.173 4.106 897 HB3 TYR 121 HB1 TYR 121 5.165 -6.770 5.756 898 HD1 TYR 121 HD1 TYR 121 3.021 -7.043 7.109 899 HD2 TYR 121 HD2 TYR 121 3.038 -6.439 2.898 900 HE1 TYR 121 HE1 TYR 121 0.737 -7.945 6.977 901 HE2 TYR 121 HE2 TYR 121 0.753 -7.335 2.754 902 HH TYR 121 HH TYR 121 -1.206 -7.823 5.484 903 H HIS 122 HN HIS 122 5.765 -5.712 7.652 904 HA HIS 122 HA HIS 122 3.649 -5.767 9.470 905 HB2 HIS 122 HB1 HIS 122 6.621 -5.596 10.014 906 HB3 HIS 122 HB2 HIS 122 5.401 -6.015 11.213 907 HD1 HIS 122 HD1 HIS 122 4.948 -8.437 11.468 908 HD2 HIS 122 HD2 HIS 122 6.651 -7.553 7.782 909 HE1 HIS 122 HE1 HIS 122 5.342 -10.660 10.360 910 HE2 HIS 122 HE2 HIS 122 6.367 -10.101 8.127 911 H PHE 123 HN PHE 123 6.025 -3.261 8.792 912 HA PHE 123 HA PHE 123 5.507 -1.580 10.969 913 HB2 PHE 123 HB2 PHE 123 6.460 -0.968 8.172 914 HB3 PHE 123 HB1 PHE 123 6.349 0.257 9.431 915 HD1 PHE 123 HD1 PHE 123 7.245 -1.530 11.737 916 HD2 PHE 123 HD2 PHE 123 8.789 -0.898 7.821 917 HE1 PHE 123 HE1 PHE 123 9.495 -2.131 12.531 918 HE2 PHE 123 HE2 PHE 123 11.040 -1.502 8.607 919 HZ PHE 123 HZ PHE 123 11.396 -2.119 10.965 920 H LEU 124 HN LEU 124 4.193 -1.356 7.656 921 HA LEU 124 HA LEU 124 2.406 0.740 8.201 922 HB2 LEU 124 HB2 LEU 124 3.028 0.223 5.938 923 HB3 LEU 124 HB1 LEU 124 2.370 -1.396 6.075 924 HG LEU 124 HG LEU 124 0.100 -0.428 6.291 925 HD11 LEU 124 HD11 LEU 124 1.501 2.178 5.714 926 HD12 LEU 124 HD12 LEU 124 0.700 1.736 7.223 927 HD13 LEU 124 HD13 LEU 124 -0.246 1.932 5.747 928 HD21 LEU 124 HD21 LEU 124 -0.121 0.258 3.954 929 HD22 LEU 124 HD22 LEU 124 0.912 -1.162 4.124 930 HD23 LEU 124 HD23 LEU 124 1.632 0.423 3.840 931 H ARG 125 HN ARG 125 1.912 -2.767 8.109 932 HA ARG 125 HA ARG 125 -0.759 -3.005 8.497 933 HB2 ARG 125 HB2 ARG 125 0.786 -4.914 8.336 934 HB3 ARG 125 HB1 ARG 125 1.354 -4.588 9.967 935 HG2 ARG 125 HG1 ARG 125 -0.945 -4.997 10.798 936 HG3 ARG 125 HG2 ARG 125 -1.412 -5.451 9.158 937 HD2 ARG 125 HD2 ARG 125 0.295 -7.229 9.194 938 HD3 ARG 125 HD1 ARG 125 0.681 -6.798 10.859 939 HE ARG 125 HE ARG 125 -2.025 -7.295 10.825 940 HH11 ARG 125 HH11 ARG 125 0.883 -9.068 10.091 941 HH12 ARG 125 HH12 ARG 125 0.208 -10.604 10.520 942 HH21 ARG 125 HH21 ARG 125 -2.922 -9.313 11.392 943 HH22 ARG 125 HH22 ARG 125 -1.955 -10.744 11.260 944 H GLY 126 HN GLY 126 1.612 -2.093 10.959 945 HA2 GLY 126 HA1 GLY 126 -0.185 -2.191 13.151 946 HA3 GLY 126 HA2 GLY 126 1.354 -1.346 13.111 947 H PHE 127 HN PHE 127 0.640 0.361 10.855 948 HA PHE 127 HA PHE 127 -0.543 2.481 12.304 949 HB2 PHE 127 HB2 PHE 127 1.104 2.833 10.507 950 HB3 PHE 127 HB1 PHE 127 -0.050 2.218 9.330 951 HD1 PHE 127 HD1 PHE 127 -0.126 4.737 12.089 952 HD2 PHE 127 HD2 PHE 127 -0.969 3.839 8.016 953 HE1 PHE 127 HE1 PHE 127 -1.009 7.011 11.775 954 HE2 PHE 127 HE2 PHE 127 -1.855 6.112 7.695 955 HZ PHE 127 HZ PHE 127 -1.875 7.702 9.576 956 H ALA 128 HN ALA 128 -1.793 0.046 10.163 957 HA ALA 128 HA ALA 128 -4.219 1.262 9.441 958 HB1 ALA 128 HB1 ALA 128 -3.350 -0.715 8.307 959 HB2 ALA 128 HB2 ALA 128 -4.983 -1.001 8.909 960 HB3 ALA 128 HB3 ALA 128 -3.597 -1.672 9.768 961 H ALA 129 HN ALA 129 -3.208 -0.428 12.336 962 HA ALA 129 HA ALA 129 -5.775 -0.937 13.405 963 HB1 ALA 129 HB1 ALA 129 -3.767 -2.074 14.205 964 HB2 ALA 129 HB2 ALA 129 -4.614 -1.272 15.527 965 HB3 ALA 129 HB3 ALA 129 -3.155 -0.551 14.850 966 H GLY 130 HN GLY 130 -3.775 1.903 13.293 967 HA2 GLY 130 HA2 GLY 130 -5.140 3.295 15.408 968 HA3 GLY 130 HA1 GLY 130 -3.994 3.989 14.272 969 H HIS 131 HN HIS 131 -5.890 2.578 12.200 970 HA HIS 131 HA HIS 131 -7.458 4.963 11.712 971 HB2 HIS 131 HB2 HIS 131 -6.826 2.479 10.151 972 HB3 HIS 131 HB1 HIS 131 -8.156 3.522 9.648 973 HD1 HIS 131 HD1 HIS 131 -7.378 6.147 9.305 974 HD2 HIS 131 HD2 HIS 131 -4.433 3.220 9.137 975 HE1 HIS 131 HE1 HIS 131 -5.431 7.219 8.130 976 HE2 HIS 131 HE2 HIS 131 -3.716 5.386 7.920 977 HA PRO 132 HA PRO 132 -11.278 3.532 13.392 978 HB2 PRO 132 HB1 PRO 132 -12.667 4.791 11.118 979 HB3 PRO 132 HB2 PRO 132 -12.762 5.169 12.840 980 HG2 PRO 132 HG1 PRO 132 -11.523 6.800 11.107 981 HG3 PRO 132 HG2 PRO 132 -10.941 6.583 12.767 982 HD2 PRO 132 HD2 PRO 132 -9.902 5.394 10.223 983 HD3 PRO 132 HD1 PRO 132 -9.005 6.038 11.615 984 H GLU 133 HN GLU 133 -10.736 3.126 9.933 985 HA GLU 133 HA GLU 133 -12.701 0.986 9.775 986 HB2 GLU 133 HB2 GLU 133 -10.907 2.250 7.703 987 HB3 GLU 133 HB1 GLU 133 -11.976 0.897 7.363 988 HG2 GLU 133 HG2 GLU 133 -13.255 2.663 6.687 989 HG3 GLU 133 HG1 GLU 133 -13.808 2.451 8.347 990 H ALA 134 HN ALA 134 -9.977 0.984 11.212 991 HA ALA 134 HA ALA 134 -8.102 -0.654 10.179 992 HB1 ALA 134 HB1 ALA 134 -9.211 -0.892 12.973 993 HB2 ALA 134 HB2 ALA 134 -8.004 0.279 12.441 994 HB3 ALA 134 HB3 ALA 134 -7.626 -1.444 12.431 995 H ALA 135 HN ALA 135 -11.169 -1.729 11.611 996 HA ALA 135 HA ALA 135 -10.815 -4.455 11.473 997 HB1 ALA 135 HB1 ALA 135 -12.719 -3.385 12.567 998 HB2 ALA 135 HB2 ALA 135 -13.245 -4.637 11.441 999 HB3 ALA 135 HB3 ALA 135 -13.374 -2.936 10.993 1000 H ALA 136 HN ALA 136 -12.039 -2.291 8.933 1001 HA ALA 136 HA ALA 136 -12.495 -4.372 7.049 1002 HB1 ALA 136 HB1 ALA 136 -12.797 -2.585 5.427 1003 HB2 ALA 136 HB2 ALA 136 -12.108 -1.421 6.559 1004 HB3 ALA 136 HB3 ALA 136 -13.640 -2.211 6.931 1005 H ILE 137 HN ILE 137 -9.780 -2.214 7.684 1006 HA ILE 137 HA ILE 137 -8.277 -2.804 5.390 1007 HB ILE 137 HB ILE 137 -7.369 -1.877 8.110 1008 HG12 ILE 137 HG12 ILE 137 -7.784 -0.320 5.550 1009 HG13 ILE 137 HG11 ILE 137 -8.973 -0.418 6.845 1010 HG21 ILE 137 HG21 ILE 137 -5.512 -2.891 6.933 1011 HG22 ILE 137 HG22 ILE 137 -5.320 -1.137 6.968 1012 HG23 ILE 137 HG23 ILE 137 -5.870 -1.935 5.494 1013 HD11 ILE 137 HD11 ILE 137 -7.676 1.647 6.929 1014 HD12 ILE 137 HD12 ILE 137 -6.197 0.705 7.121 1015 HD13 ILE 137 HD13 ILE 137 -7.441 0.660 8.371 1016 H TYR 138 HN TYR 138 -7.956 -4.162 8.697 1017 HA TYR 138 HA TYR 138 -5.829 -5.884 8.006 1018 HB2 TYR 138 HB1 TYR 138 -5.850 -6.564 10.182 1019 HB3 TYR 138 HB2 TYR 138 -6.788 -5.087 10.353 1020 HD1 TYR 138 HD1 TYR 138 -9.198 -5.179 10.741 1021 HD2 TYR 138 HD2 TYR 138 -6.875 -8.732 10.458 1022 HE1 TYR 138 HE1 TYR 138 -11.041 -6.458 11.751 1023 HE2 TYR 138 HE2 TYR 138 -8.713 -10.021 11.464 1024 HH TYR 138 HH TYR 138 -11.848 -8.781 11.823 1025 H ARG 139 HN ARG 139 -9.326 -6.326 7.969 1026 HA ARG 139 HA ARG 139 -9.167 -9.142 7.474 1027 HB2 ARG 139 HB2 ARG 139 -11.542 -9.064 7.114 1028 HB3 ARG 139 HB1 ARG 139 -11.158 -8.043 8.492 1029 HG2 ARG 139 HG2 ARG 139 -11.297 -6.064 7.035 1030 HG3 ARG 139 HG1 ARG 139 -11.761 -7.114 5.693 1031 HD2 ARG 139 HD2 ARG 139 -13.266 -6.733 8.279 1032 HD3 ARG 139 HD1 ARG 139 -13.728 -6.108 6.696 1033 HE ARG 139 HE ARG 139 -13.803 -8.586 6.065 1034 HH11 ARG 139 HH11 ARG 139 -14.562 -7.340 9.228 1035 HH12 ARG 139 HH12 ARG 139 -15.657 -8.625 9.614 1036 HH21 ARG 139 HH21 ARG 139 -15.243 -10.282 6.563 1037 HH22 ARG 139 HH22 ARG 139 -16.043 -10.298 8.099 1038 H ALA 140 HN ALA 140 -9.304 -6.250 5.525 1039 HA ALA 140 HA ALA 140 -9.877 -7.445 3.041 1040 HB1 ALA 140 HB1 ALA 140 -8.306 -4.930 3.584 1041 HB2 ALA 140 HB2 ALA 140 -10.060 -5.036 3.426 1042 HB3 ALA 140 HB3 ALA 140 -9.028 -5.394 2.042 1043 H ILE 141 HN ILE 141 -6.892 -6.969 4.819 1044 HA ILE 141 HA ILE 141 -5.308 -8.046 2.622 1045 HB ILE 141 HB ILE 141 -3.360 -7.604 4.052 1046 HG12 ILE 141 HG11 ILE 141 -5.355 -6.482 6.030 1047 HG13 ILE 141 HG12 ILE 141 -4.526 -8.024 6.220 1048 HG21 ILE 141 HG21 ILE 141 -5.260 -5.272 3.848 1049 HG22 ILE 141 HG22 ILE 141 -4.186 -5.852 2.575 1050 HG23 ILE 141 HG23 ILE 141 -3.512 -5.162 4.053 1051 HD11 ILE 141 HD11 ILE 141 -3.454 -6.325 7.547 1052 HD12 ILE 141 HD12 ILE 141 -3.238 -5.309 6.122 1053 HD13 ILE 141 HD13 ILE 141 -2.378 -6.844 6.250 1054 H ASP 142 HN ASP 142 -6.953 -9.147 5.360 1055 HA ASP 142 HA ASP 142 -5.228 -11.346 6.011 1056 HB2 ASP 142 HB2 ASP 142 -6.728 -10.355 7.690 1057 HB3 ASP 142 HB1 ASP 142 -8.124 -10.862 6.744 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -12.841 0.842 20.109 2 H2 MET 1 HT2 MET 1 -14.450 1.245 20.439 3 H3 MET 1 HT3 MET 1 -13.630 0.155 21.439 4 HA MET 1 HA MET 1 -12.979 3.024 21.098 5 HB2 MET 1 HB1 MET 1 -14.130 1.573 23.490 6 HB3 MET 1 HB2 MET 1 -13.789 3.295 23.376 7 HG2 MET 1 HG1 MET 1 -15.825 1.792 21.747 8 HG3 MET 1 HG2 MET 1 -16.166 2.822 23.136 9 HE1 MET 1 HE1 MET 1 -17.536 3.118 20.227 10 HE2 MET 1 HE2 MET 1 -17.546 4.874 20.073 11 HE3 MET 1 HE3 MET 1 -17.948 4.122 21.618 12 H ASN 2 HN ASN 2 -10.797 2.978 20.980 13 HA ASN 2 HA ASN 2 -9.328 1.338 22.924 14 HB2 ASN 2 HB1 ASN 2 -8.346 2.740 20.428 15 HB3 ASN 2 HB2 ASN 2 -7.361 1.739 21.490 16 HD21 ASN 2 HD21 ASN 2 -7.974 1.424 18.659 17 HD22 ASN 2 HD22 ASN 2 -8.700 -0.136 18.499 18 H THR 3 HN THR 3 -7.996 2.220 24.430 19 HA THR 3 HA THR 3 -8.263 5.077 24.889 20 HB THR 3 HB THR 3 -6.925 2.974 26.599 21 HG1 THR 3 HG1 THR 3 -9.553 4.002 26.481 22 HG21 THR 3 HG21 THR 3 -6.075 5.220 27.050 23 HG22 THR 3 HG22 THR 3 -7.077 4.652 28.386 24 HG23 THR 3 HG23 THR 3 -7.724 5.818 27.230 25 H GLU 4 HN GLU 4 -5.822 2.726 24.046 26 HA GLU 4 HA GLU 4 -3.640 4.602 24.286 27 HB2 GLU 4 HB1 GLU 4 -3.738 1.827 23.087 28 HB3 GLU 4 HB2 GLU 4 -2.274 2.766 23.343 29 HG2 GLU 4 HG2 GLU 4 -4.148 1.823 25.503 30 HG3 GLU 4 HG1 GLU 4 -2.607 1.078 25.077 31 H GLU 5 HN GLU 5 -2.107 4.729 22.306 32 HA GLU 5 HA GLU 5 -3.648 5.068 19.829 33 HB2 GLU 5 HB1 GLU 5 -1.725 7.107 20.963 34 HB3 GLU 5 HB2 GLU 5 -2.538 7.219 19.409 35 HG2 GLU 5 HG1 GLU 5 -4.703 7.273 20.569 36 HG3 GLU 5 HG2 GLU 5 -3.857 7.225 22.115 37 H GLN 6 HN GLN 6 -2.388 5.025 17.893 38 HA GLN 6 HA GLN 6 -0.235 3.166 18.003 39 HB2 GLN 6 HB2 GLN 6 -0.109 3.525 15.550 40 HB3 GLN 6 HB1 GLN 6 -1.730 3.139 16.111 41 HG2 GLN 6 HG1 GLN 6 -2.359 5.479 15.976 42 HG3 GLN 6 HG2 GLN 6 -0.723 5.903 15.476 43 HE21 GLN 6 HE22 GLN 6 -0.423 3.548 13.799 44 HE22 GLN 6 HE21 GLN 6 -1.378 3.832 12.389 45 HA PRO 7 HA PRO 7 2.928 6.241 18.669 46 HB2 PRO 7 HB2 PRO 7 4.803 4.022 18.399 47 HB3 PRO 7 HB1 PRO 7 4.468 5.024 19.814 48 HG2 PRO 7 HG1 PRO 7 3.727 2.434 19.681 49 HG3 PRO 7 HG2 PRO 7 2.765 3.649 20.545 50 HD2 PRO 7 HD1 PRO 7 2.340 2.488 17.811 51 HD3 PRO 7 HD2 PRO 7 1.152 2.814 19.093 52 H VAL 8 HN VAL 8 2.275 4.584 15.928 53 HA VAL 8 HA VAL 8 4.494 5.860 14.468 54 HB VAL 8 HB VAL 8 3.049 3.320 13.702 55 HG11 VAL 8 HG11 VAL 8 3.783 4.650 11.776 56 HG12 VAL 8 HG12 VAL 8 4.690 3.143 11.918 57 HG13 VAL 8 HG13 VAL 8 5.426 4.665 12.422 58 HG21 VAL 8 HG21 VAL 8 5.158 2.190 14.188 59 HG22 VAL 8 HG22 VAL 8 4.520 2.992 15.624 60 HG23 VAL 8 HG23 VAL 8 5.856 3.715 14.730 61 H THR 9 HN THR 9 4.007 7.133 12.768 62 HA THR 9 HA THR 9 1.340 7.068 11.589 63 HB THR 9 HB THR 9 1.056 9.516 11.805 64 HG1 THR 9 HG1 THR 9 3.374 9.889 12.213 65 HG21 THR 9 HG21 THR 9 0.389 9.548 14.149 66 HG22 THR 9 HG22 THR 9 1.377 8.121 14.465 67 HG23 THR 9 HG23 THR 9 -0.032 8.001 13.412 68 H ALA 10 HN ALA 10 1.281 7.773 9.475 69 HA ALA 10 HA ALA 10 3.864 8.103 8.194 70 HB1 ALA 10 HB1 ALA 10 2.227 6.545 7.248 71 HB2 ALA 10 HB2 ALA 10 2.650 7.819 6.104 72 HB3 ALA 10 HB3 ALA 10 1.115 7.886 6.971 73 H SER 11 HN SER 11 3.640 9.645 6.125 74 HA SER 11 HA SER 11 2.269 12.124 6.659 75 HB2 SER 11 HB1 SER 11 4.240 12.378 8.109 76 HB3 SER 11 HB2 SER 11 5.297 12.057 6.734 77 HG SER 11 HG SER 11 4.888 13.999 5.937 78 H LEU 12 HN LEU 12 2.755 13.767 4.920 79 HA LEU 12 HA LEU 12 3.019 12.351 2.382 80 HB2 LEU 12 HB2 LEU 12 1.065 13.861 2.889 81 HB3 LEU 12 HB1 LEU 12 2.183 15.212 2.832 82 HG LEU 12 HG LEU 12 2.662 14.768 0.491 83 HD11 LEU 12 HD11 LEU 12 0.750 12.456 0.792 84 HD12 LEU 12 HD12 LEU 12 2.485 12.350 0.500 85 HD13 LEU 12 HD13 LEU 12 1.423 13.032 -0.732 86 HD21 LEU 12 HD21 LEU 12 0.458 15.266 -0.453 87 HD22 LEU 12 HD22 LEU 12 0.767 16.203 1.009 88 HD23 LEU 12 HD23 LEU 12 -0.296 14.798 1.072 89 H VAL 13 HN VAL 13 4.862 12.360 1.316 90 HA VAL 13 HA VAL 13 7.028 14.100 2.068 91 HB VAL 13 HB VAL 13 6.920 12.179 -0.262 92 HG11 VAL 13 HG21 VAL 13 9.251 13.322 1.277 93 HG12 VAL 13 HG22 VAL 13 8.759 13.786 -0.351 94 HG13 VAL 13 HG23 VAL 13 9.354 12.155 -0.041 95 HG21 VAL 13 HG11 VAL 13 7.975 10.550 1.240 96 HG22 VAL 13 HG12 VAL 13 6.362 11.004 1.792 97 HG23 VAL 13 HG13 VAL 13 7.788 11.677 2.584 98 H ALA 14 HN ALA 14 8.180 15.497 0.603 99 HA ALA 14 HA ALA 14 6.585 17.345 -0.730 100 HB1 ALA 14 HB1 ALA 14 9.521 16.807 -1.170 101 HB2 ALA 14 HB2 ALA 14 8.840 17.840 0.087 102 HB3 ALA 14 HB3 ALA 14 8.655 18.279 -1.612 103 H GLU 15 HN GLU 15 6.441 17.876 -2.986 104 HA GLU 15 HA GLU 15 5.867 15.605 -4.608 105 HB2 GLU 15 HB2 GLU 15 5.282 17.251 -6.334 106 HB3 GLU 15 HB1 GLU 15 4.551 17.650 -4.787 107 HG2 GLU 15 HG1 GLU 15 6.269 19.327 -4.391 108 HG3 GLU 15 HG2 GLU 15 7.035 18.914 -5.924 109 H ALA 16 HN ALA 16 8.619 17.680 -4.231 110 HA ALA 16 HA ALA 16 9.828 16.726 -6.711 111 HB1 ALA 16 HB1 ALA 16 10.853 18.731 -4.708 112 HB2 ALA 16 HB2 ALA 16 9.990 19.108 -6.199 113 HB3 ALA 16 HB3 ALA 16 11.584 18.354 -6.268 114 H GLN 17 HN GLN 17 9.585 15.597 -3.622 115 HA GLN 17 HA GLN 17 12.229 14.303 -3.778 116 HB2 GLN 17 HB2 GLN 17 10.656 15.150 -1.347 117 HB3 GLN 17 HB1 GLN 17 12.053 14.088 -1.272 118 HG2 GLN 17 HG2 GLN 17 12.082 16.883 -2.382 119 HG3 GLN 17 HG1 GLN 17 12.569 16.440 -0.746 120 HE21 GLN 17 HE21 GLN 17 13.359 16.241 -4.127 121 HE22 GLN 17 HE22 GLN 17 15.002 15.753 -3.921 122 H ARG 18 HN ARG 18 8.863 13.862 -3.741 123 HA ARG 18 HA ARG 18 8.761 11.279 -2.550 124 HB2 ARG 18 HB2 ARG 18 6.501 11.151 -3.527 125 HB3 ARG 18 HB1 ARG 18 6.771 12.659 -2.663 126 HG2 ARG 18 HG1 ARG 18 7.080 13.846 -4.736 127 HG3 ARG 18 HG2 ARG 18 6.960 12.340 -5.650 128 HD2 ARG 18 HD2 ARG 18 4.771 13.475 -3.916 129 HD3 ARG 18 HD1 ARG 18 4.870 13.678 -5.664 130 HE ARG 18 HE ARG 18 4.983 10.938 -4.995 131 HH11 ARG 18 HH11 ARG 18 2.764 13.617 -5.154 132 HH12 ARG 18 HH12 ARG 18 1.377 12.618 -5.438 133 HH21 ARG 18 HH21 ARG 18 3.166 9.615 -5.369 134 HH22 ARG 18 HH22 ARG 18 1.606 10.344 -5.559 135 H LEU 19 HN LEU 19 9.687 12.413 -5.660 136 HA LEU 19 HA LEU 19 9.161 9.956 -7.055 137 HB2 LEU 19 HB2 LEU 19 10.077 10.965 -8.942 138 HB3 LEU 19 HB1 LEU 19 9.302 12.280 -8.086 139 HG LEU 19 HG LEU 19 12.266 11.686 -8.071 140 HD11 LEU 19 HD11 LEU 19 11.495 12.504 -10.233 141 HD12 LEU 19 HD12 LEU 19 12.462 13.722 -9.404 142 HD13 LEU 19 HD13 LEU 19 10.705 13.870 -9.445 143 HD21 LEU 19 HD21 LEU 19 12.470 13.847 -6.947 144 HD22 LEU 19 HD22 LEU 19 11.531 12.702 -5.988 145 HD23 LEU 19 HD23 LEU 19 10.713 13.981 -6.886 146 H ASP 20 HN ASP 20 11.610 11.087 -4.990 147 HA ASP 20 HA ASP 20 13.418 8.932 -5.871 148 HB2 ASP 20 HB2 ASP 20 14.267 11.342 -6.015 149 HB3 ASP 20 HB1 ASP 20 14.246 11.337 -4.253 150 H PHE 21 HN PHE 21 11.301 9.943 -3.524 151 HA PHE 21 HA PHE 21 12.599 8.933 -1.182 152 HB2 PHE 21 HB2 PHE 21 10.588 10.616 -1.428 153 HB3 PHE 21 HB1 PHE 21 9.623 9.143 -1.407 154 HD1 PHE 21 HD1 PHE 21 9.513 7.747 0.578 155 HD2 PHE 21 HD2 PHE 21 11.726 11.382 0.542 156 HE1 PHE 21 HE1 PHE 21 9.592 7.720 3.036 157 HE2 PHE 21 HE2 PHE 21 11.810 11.361 3.001 158 HZ PHE 21 HZ PHE 21 10.741 9.527 4.252 159 H LEU 22 HN LEU 22 10.186 7.702 -3.451 160 HA LEU 22 HA LEU 22 9.609 5.296 -2.146 161 HB2 LEU 22 HB2 LEU 22 8.596 6.493 -4.298 162 HB3 LEU 22 HB1 LEU 22 9.651 5.362 -5.121 163 HG LEU 22 HG LEU 22 7.354 4.510 -4.916 164 HD11 LEU 22 HD21 LEU 22 9.217 2.934 -5.019 165 HD12 LEU 22 HD22 LEU 22 7.898 2.311 -4.028 166 HD13 LEU 22 HD23 LEU 22 9.345 2.968 -3.260 167 HD21 LEU 22 HD11 LEU 22 6.468 3.869 -2.736 168 HD22 LEU 22 HD12 LEU 22 6.743 5.609 -2.827 169 HD23 LEU 22 HD13 LEU 22 7.875 4.583 -1.948 170 HA PRO 23 HA PRO 23 13.122 3.263 -4.774 171 HB2 PRO 23 HB2 PRO 23 14.980 4.891 -5.881 172 HB3 PRO 23 HB1 PRO 23 13.504 4.419 -6.728 173 HG2 PRO 23 HG2 PRO 23 14.109 6.948 -5.240 174 HG3 PRO 23 HG1 PRO 23 13.313 6.740 -6.811 175 HD2 PRO 23 HD2 PRO 23 11.928 7.178 -4.530 176 HD3 PRO 23 HD1 PRO 23 11.290 6.185 -5.854 177 H THR 24 HN THR 24 13.523 5.990 -2.730 178 HA THR 24 HA THR 24 16.185 5.348 -1.852 179 HB THR 24 HB THR 24 14.128 7.372 -1.056 180 HG1 THR 24 HG1 THR 24 16.463 7.284 -2.448 181 HG21 THR 24 HG21 THR 24 16.654 6.824 0.503 182 HG22 THR 24 HG22 THR 24 15.014 6.504 1.067 183 HG23 THR 24 HG23 THR 24 15.534 8.162 0.762 184 H TYR 25 HN TYR 25 12.918 4.661 -0.795 185 HA TYR 25 HA TYR 25 13.980 3.295 1.585 186 HB2 TYR 25 HB2 TYR 25 11.308 4.475 0.925 187 HB3 TYR 25 HB1 TYR 25 11.430 3.212 2.145 188 HD1 TYR 25 HD2 TYR 25 12.917 6.510 1.233 189 HD2 TYR 25 HD1 TYR 25 11.889 3.795 4.343 190 HE1 TYR 25 HE2 TYR 25 13.565 8.192 2.906 191 HE2 TYR 25 HE1 TYR 25 12.535 5.469 6.025 192 HH TYR 25 HH TYR 25 13.081 8.723 5.267 193 H PHE 26 HN PHE 26 12.537 2.749 -1.476 194 HA PHE 26 HA PHE 26 11.982 -0.055 -0.778 195 HB2 PHE 26 HB2 PHE 26 10.270 1.646 -1.941 196 HB3 PHE 26 HB1 PHE 26 11.093 1.069 -3.385 197 HD1 PHE 26 HD2 PHE 26 10.166 -0.754 -0.273 198 HD2 PHE 26 HD1 PHE 26 9.594 -0.311 -4.466 199 HE1 PHE 26 HE2 PHE 26 8.746 -2.763 -0.287 200 HE2 PHE 26 HE1 PHE 26 8.173 -2.317 -4.488 201 HZ PHE 26 HZ PHE 26 7.748 -3.547 -2.397 202 H GLY 27 HN GLY 27 13.592 2.060 -3.086 203 HA2 GLY 27 HA2 GLY 27 15.899 1.060 -3.599 204 HA3 GLY 27 HA1 GLY 27 14.961 -0.278 -4.247 205 HA PRO 28 HA PRO 28 15.473 3.598 -7.191 206 HB2 PRO 28 HB2 PRO 28 17.792 2.864 -8.478 207 HB3 PRO 28 HB1 PRO 28 17.715 4.034 -7.156 208 HG2 PRO 28 HG2 PRO 28 18.440 1.132 -7.081 209 HG3 PRO 28 HG1 PRO 28 19.191 2.497 -6.234 210 HD2 PRO 28 HD2 PRO 28 17.505 0.826 -4.984 211 HD3 PRO 28 HD1 PRO 28 17.535 2.562 -4.613 212 H ARG 29 HN ARG 29 15.752 0.170 -7.299 213 HA ARG 29 HA ARG 29 15.037 0.099 -10.135 214 HB2 ARG 29 HB2 ARG 29 16.767 -1.431 -9.690 215 HB3 ARG 29 HB1 ARG 29 16.022 -1.976 -8.193 216 HG2 ARG 29 HG2 ARG 29 15.857 -3.673 -9.920 217 HG3 ARG 29 HG1 ARG 29 14.258 -3.083 -9.466 218 HD2 ARG 29 HD2 ARG 29 14.418 -1.515 -11.443 219 HD3 ARG 29 HD1 ARG 29 15.839 -2.433 -11.942 220 HE ARG 29 HE ARG 29 13.235 -3.751 -11.559 221 HH11 ARG 29 HH11 ARG 29 15.996 -2.973 -13.538 222 HH12 ARG 29 HH12 ARG 29 15.541 -4.045 -14.820 223 HH21 ARG 29 HH21 ARG 29 12.629 -5.166 -13.241 224 HH22 ARG 29 HH22 ARG 29 13.628 -5.291 -14.652 225 H LEU 30 HN LEU 30 13.763 -0.707 -6.934 226 HA LEU 30 HA LEU 30 11.457 -2.054 -7.915 227 HB2 LEU 30 HB1 LEU 30 12.284 -0.961 -5.242 228 HB3 LEU 30 HB2 LEU 30 10.702 -1.666 -5.492 229 HG LEU 30 HG LEU 30 11.816 -3.790 -6.185 230 HD11 LEU 30 HD11 LEU 30 13.951 -2.877 -6.907 231 HD12 LEU 30 HD12 LEU 30 14.186 -4.089 -5.648 232 HD13 LEU 30 HD13 LEU 30 14.309 -2.374 -5.255 233 HD21 LEU 30 HD21 LEU 30 12.516 -4.426 -3.909 234 HD22 LEU 30 HD22 LEU 30 10.995 -3.533 -3.927 235 HD23 LEU 30 HD23 LEU 30 12.487 -2.724 -3.447 236 H MET 31 HN MET 31 12.230 1.258 -7.122 237 HA MET 31 HA MET 31 10.033 2.579 -6.569 238 HB2 MET 31 HB2 MET 31 10.714 4.285 -8.416 239 HB3 MET 31 HB1 MET 31 11.809 3.958 -7.080 240 HG2 MET 31 HG2 MET 31 13.354 3.025 -8.400 241 HG3 MET 31 HG1 MET 31 12.162 2.217 -9.411 242 HE1 MET 31 HE1 MET 31 13.328 6.661 -9.884 243 HE2 MET 31 HE2 MET 31 14.076 5.584 -8.705 244 HE3 MET 31 HE3 MET 31 12.382 6.040 -8.530 245 H MET 32 HN MET 32 10.464 1.051 -9.727 246 HA MET 32 HA MET 32 7.762 1.933 -10.465 247 HB2 MET 32 HB1 MET 32 8.325 1.321 -12.749 248 HB3 MET 32 HB2 MET 32 9.548 2.402 -12.098 249 HG2 MET 32 HG1 MET 32 10.003 -0.519 -11.882 250 HG3 MET 32 HG2 MET 32 10.180 0.242 -13.462 251 HE1 MET 32 HE1 MET 32 13.019 2.828 -12.869 252 HE2 MET 32 HE2 MET 32 11.279 3.113 -12.799 253 HE3 MET 32 HE3 MET 32 11.953 2.066 -14.050 254 H ARG 33 HN ARG 33 9.731 -0.871 -9.825 255 HA ARG 33 HA ARG 33 7.850 -2.804 -10.746 256 HB2 ARG 33 HB1 ARG 33 10.123 -3.135 -8.781 257 HB3 ARG 33 HB2 ARG 33 9.277 -4.433 -9.611 258 HG2 ARG 33 HG1 ARG 33 10.848 -2.280 -11.008 259 HG3 ARG 33 HG2 ARG 33 11.492 -3.867 -10.579 260 HD2 ARG 33 HD1 ARG 33 9.087 -3.403 -12.337 261 HD3 ARG 33 HD2 ARG 33 10.718 -3.720 -12.929 262 HE ARG 33 HE ARG 33 10.302 -5.830 -11.344 263 HH11 ARG 33 HH11 ARG 33 8.304 -4.370 -13.799 264 HH12 ARG 33 HH12 ARG 33 7.533 -5.858 -14.236 265 HH21 ARG 33 HH21 ARG 33 9.291 -7.792 -11.915 266 HH22 ARG 33 HH22 ARG 33 8.094 -7.803 -13.165 267 H GLY 34 HN GLY 34 7.953 -0.806 -7.996 268 HA2 GLY 34 HA2 GLY 34 6.225 -2.660 -6.492 269 HA3 GLY 34 HA1 GLY 34 7.156 -1.350 -5.779 270 H GLU 35 HN GLU 35 6.515 0.741 -7.494 271 HA GLU 35 HA GLU 35 4.081 1.619 -6.431 272 HB2 GLU 35 HB1 GLU 35 4.289 3.533 -7.846 273 HB3 GLU 35 HB2 GLU 35 5.909 3.082 -7.341 274 HG2 GLU 35 HG1 GLU 35 6.301 3.453 -9.538 275 HG3 GLU 35 HG2 GLU 35 5.866 1.747 -9.617 276 H ALA 36 HN ALA 36 4.866 -0.024 -9.430 277 HA ALA 36 HA ALA 36 2.214 0.225 -10.516 278 HB1 ALA 36 HB1 ALA 36 4.177 0.040 -11.970 279 HB2 ALA 36 HB2 ALA 36 3.013 -1.247 -12.282 280 HB3 ALA 36 HB3 ALA 36 4.475 -1.585 -11.355 281 H LEU 37 HN LEU 37 3.817 -1.932 -8.366 282 HA LEU 37 HA LEU 37 2.073 -4.172 -8.779 283 HB2 LEU 37 HB2 LEU 37 4.509 -3.725 -7.499 284 HB3 LEU 37 HB1 LEU 37 3.397 -4.120 -6.205 285 HG LEU 37 HG LEU 37 2.758 -6.146 -7.691 286 HD11 LEU 37 HD11 LEU 37 5.454 -5.430 -8.828 287 HD12 LEU 37 HD12 LEU 37 3.919 -5.435 -9.699 288 HD13 LEU 37 HD13 LEU 37 4.599 -6.949 -9.098 289 HD21 LEU 37 HD21 LEU 37 5.401 -5.941 -6.264 290 HD22 LEU 37 HD22 LEU 37 4.618 -7.453 -6.721 291 HD23 LEU 37 HD23 LEU 37 3.846 -6.376 -5.556 292 H VAL 38 HN VAL 38 2.255 -1.492 -6.503 293 HA VAL 38 HA VAL 38 0.266 -2.482 -4.723 294 HB VAL 38 HB VAL 38 0.303 -0.359 -3.659 295 HG11 VAL 38 HG11 VAL 38 3.042 -0.949 -4.763 296 HG12 VAL 38 HG12 VAL 38 2.309 -1.687 -3.339 297 HG13 VAL 38 HG13 VAL 38 2.703 0.032 -3.338 298 HG21 VAL 38 HG21 VAL 38 -0.002 1.053 -5.620 299 HG22 VAL 38 HG22 VAL 38 1.659 0.732 -6.118 300 HG23 VAL 38 HG23 VAL 38 1.342 1.625 -4.632 301 H TYR 39 HN TYR 39 0.197 -0.337 -7.522 302 HA TYR 39 HA TYR 39 -2.605 0.235 -7.234 303 HB2 TYR 39 HB2 TYR 39 -2.166 1.887 -8.684 304 HB3 TYR 39 HB1 TYR 39 -0.480 1.396 -8.593 305 HD1 TYR 39 HD2 TYR 39 0.473 -0.083 -10.338 306 HD2 TYR 39 HD1 TYR 39 -3.451 1.524 -10.659 307 HE1 TYR 39 HE2 TYR 39 0.469 -0.591 -12.745 308 HE2 TYR 39 HE1 TYR 39 -3.468 1.021 -13.066 309 HH TYR 39 HH TYR 39 -1.840 0.660 -14.883 310 H ALA 40 HN ALA 40 -0.729 -2.261 -8.627 311 HA ALA 40 HA ALA 40 -2.484 -3.104 -10.679 312 HB1 ALA 40 HB1 ALA 40 -1.242 -5.198 -10.634 313 HB2 ALA 40 HB2 ALA 40 -0.510 -4.746 -9.095 314 HB3 ALA 40 HB3 ALA 40 -0.142 -3.821 -10.552 315 H TRP 41 HN TRP 41 -2.272 -3.803 -7.242 316 HA TRP 41 HA TRP 41 -4.343 -5.806 -7.322 317 HB2 TRP 41 HB2 TRP 41 -2.872 -4.441 -5.064 318 HB3 TRP 41 HB1 TRP 41 -4.161 -5.608 -4.791 319 HD1 TRP 41 HD1 TRP 41 -0.499 -5.371 -5.725 320 HE1 TRP 41 HE1 TRP 41 0.492 -7.741 -5.847 321 HE3 TRP 41 HE3 TRP 41 -4.826 -8.083 -5.404 322 HZ2 TRP 41 HZ2 TRP 41 -0.434 -10.409 -5.816 323 HZ3 TRP 41 HZ3 TRP 41 -4.685 -10.539 -5.459 324 HH2 TRP 41 HH2 TRP 41 -2.533 -11.677 -5.661 325 H MET 42 HN MET 42 -4.068 -2.385 -6.616 326 HA MET 42 HA MET 42 -6.569 -2.031 -5.367 327 HB2 MET 42 HB2 MET 42 -4.867 -0.342 -5.165 328 HB3 MET 42 HB1 MET 42 -4.821 -0.114 -6.908 329 HG2 MET 42 HG2 MET 42 -6.012 1.676 -5.690 330 HG3 MET 42 HG1 MET 42 -6.991 0.868 -6.911 331 HE1 MET 42 HE1 MET 42 -6.024 -0.249 -3.219 332 HE2 MET 42 HE2 MET 42 -7.440 0.349 -2.354 333 HE3 MET 42 HE3 MET 42 -6.343 1.484 -3.142 334 H ARG 43 HN ARG 43 -5.582 -1.701 -8.763 335 HA ARG 43 HA ARG 43 -8.085 -0.817 -9.717 336 HB2 ARG 43 HB2 ARG 43 -7.214 -1.408 -11.945 337 HB3 ARG 43 HB1 ARG 43 -6.062 -0.472 -11.003 338 HG2 ARG 43 HG1 ARG 43 -4.905 -2.586 -10.415 339 HG3 ARG 43 HG2 ARG 43 -6.003 -3.438 -11.504 340 HD2 ARG 43 HD2 ARG 43 -4.105 -1.225 -12.269 341 HD3 ARG 43 HD1 ARG 43 -3.879 -2.942 -12.599 342 HE ARG 43 HE ARG 43 -6.287 -1.701 -13.661 343 HH11 ARG 43 HH11 ARG 43 -3.043 -2.841 -14.231 344 HH12 ARG 43 HH12 ARG 43 -3.236 -2.920 -15.951 345 HH21 ARG 43 HH21 ARG 43 -6.548 -1.799 -15.922 346 HH22 ARG 43 HH22 ARG 43 -5.228 -2.326 -16.912 347 H ARG 44 HN ARG 44 -6.995 -3.890 -8.721 348 HA ARG 44 HA ARG 44 -8.857 -5.400 -10.333 349 HB2 ARG 44 HB2 ARG 44 -7.025 -6.154 -8.055 350 HB3 ARG 44 HB1 ARG 44 -8.102 -7.304 -8.838 351 HG2 ARG 44 HG2 ARG 44 -6.974 -6.781 -10.997 352 HG3 ARG 44 HG1 ARG 44 -5.821 -5.797 -10.094 353 HD2 ARG 44 HD1 ARG 44 -4.900 -8.002 -10.496 354 HD3 ARG 44 HD2 ARG 44 -5.194 -7.770 -8.773 355 HE ARG 44 HE ARG 44 -7.454 -8.987 -9.808 356 HH11 ARG 44 HH11 ARG 44 -4.066 -9.725 -9.469 357 HH12 ARG 44 HH12 ARG 44 -4.318 -11.435 -9.360 358 HH21 ARG 44 HH21 ARG 44 -7.794 -11.237 -9.665 359 HH22 ARG 44 HH22 ARG 44 -6.436 -12.295 -9.472 360 H LEU 45 HN LEU 45 -8.510 -4.634 -6.887 361 HA LEU 45 HA LEU 45 -10.726 -5.822 -5.836 362 HB2 LEU 45 HB2 LEU 45 -9.855 -3.040 -5.091 363 HB3 LEU 45 HB1 LEU 45 -10.693 -4.199 -4.084 364 HG LEU 45 HG LEU 45 -7.885 -4.586 -5.118 365 HD11 LEU 45 HD11 LEU 45 -7.958 -2.694 -3.599 366 HD12 LEU 45 HD12 LEU 45 -7.175 -4.072 -2.828 367 HD13 LEU 45 HD13 LEU 45 -8.838 -3.657 -2.412 368 HD21 LEU 45 HD21 LEU 45 -7.789 -6.369 -3.450 369 HD22 LEU 45 HD22 LEU 45 -9.061 -6.666 -4.635 370 HD23 LEU 45 HD23 LEU 45 -9.475 -6.069 -3.028 371 H CYS 46 HN CYS 46 -10.683 -3.088 -7.985 372 HA CYS 46 HA CYS 46 -13.602 -2.865 -7.683 373 HB2 CYS 46 HB2 CYS 46 -12.569 -0.827 -6.861 374 HB3 CYS 46 HB1 CYS 46 -11.633 -0.670 -8.343 375 HG CYS 46 HG CYS 46 -14.974 -0.166 -7.902 376 H GLU 47 HN GLU 47 -14.820 -2.661 -9.552 377 HA GLU 47 HA GLU 47 -13.579 -3.751 -11.933 378 HB2 GLU 47 HB1 GLU 47 -15.869 -3.894 -12.794 379 HB3 GLU 47 HB2 GLU 47 -15.750 -4.612 -11.193 380 HG2 GLU 47 HG1 GLU 47 -16.657 -2.532 -10.228 381 HG3 GLU 47 HG2 GLU 47 -16.850 -1.892 -11.860 382 H ARG 48 HN ARG 48 -14.775 -0.719 -10.756 383 HA ARG 48 HA ARG 48 -14.214 0.515 -13.370 384 HB2 ARG 48 HB2 ARG 48 -15.799 2.308 -12.690 385 HB3 ARG 48 HB1 ARG 48 -16.561 0.732 -12.860 386 HG2 ARG 48 HG2 ARG 48 -16.411 0.454 -10.397 387 HG3 ARG 48 HG1 ARG 48 -15.802 2.108 -10.293 388 HD2 ARG 48 HD2 ARG 48 -18.181 2.066 -9.840 389 HD3 ARG 48 HD1 ARG 48 -17.865 2.918 -11.352 390 HE ARG 48 HE ARG 48 -18.373 0.434 -12.215 391 HH11 ARG 48 HH11 ARG 48 -20.063 2.497 -9.971 392 HH12 ARG 48 HH12 ARG 48 -21.620 1.828 -10.331 393 HH21 ARG 48 HH21 ARG 48 -20.417 -0.451 -12.693 394 HH22 ARG 48 HH22 ARG 48 -21.821 0.151 -11.877 395 H TYR 49 HN TYR 49 -12.040 0.154 -11.985 396 HA TYR 49 HA TYR 49 -11.544 2.623 -10.461 397 HB2 TYR 49 HB2 TYR 49 -11.134 0.153 -9.554 398 HB3 TYR 49 HB1 TYR 49 -9.611 0.356 -10.414 399 HD1 TYR 49 HD1 TYR 49 -8.229 2.464 -9.849 400 HD2 TYR 49 HD2 TYR 49 -11.378 0.983 -7.411 401 HE1 TYR 49 HE1 TYR 49 -7.323 3.711 -7.931 402 HE2 TYR 49 HE2 TYR 49 -10.485 2.215 -5.486 403 HH TYR 49 HH TYR 49 -8.117 4.628 -5.788 404 H ASN 50 HN ASN 50 -11.086 3.975 -12.219 405 HA ASN 50 HA ASN 50 -9.320 3.307 -14.313 406 HB2 ASN 50 HB1 ASN 50 -10.249 5.966 -13.222 407 HB3 ASN 50 HB2 ASN 50 -9.207 5.824 -14.634 408 HD21 ASN 50 HD21 ASN 50 -11.711 3.509 -13.899 409 HD22 ASN 50 HD22 ASN 50 -12.757 3.934 -15.206 410 H GLY 51 HN GLY 51 -8.827 4.946 -11.215 411 HA2 GLY 51 HA2 GLY 51 -6.438 4.155 -10.441 412 HA3 GLY 51 HA1 GLY 51 -5.965 5.202 -11.769 413 H ALA 52 HN ALA 52 -4.800 6.221 -9.876 414 HA ALA 52 HA ALA 52 -6.018 8.660 -9.217 415 HB1 ALA 52 HB1 ALA 52 -7.365 7.239 -7.711 416 HB2 ALA 52 HB2 ALA 52 -6.402 8.437 -6.845 417 HB3 ALA 52 HB3 ALA 52 -5.884 6.751 -6.886 418 H TYR 53 HN TYR 53 -4.730 9.709 -7.245 419 HA TYR 53 HA TYR 53 -1.929 9.387 -7.946 420 HB2 TYR 53 HB2 TYR 53 -3.521 11.474 -6.502 421 HB3 TYR 53 HB1 TYR 53 -1.778 11.408 -6.281 422 HD1 TYR 53 HD2 TYR 53 -0.591 10.961 -8.775 423 HD2 TYR 53 HD1 TYR 53 -4.162 13.127 -7.964 424 HE1 TYR 53 HE2 TYR 53 -0.273 12.249 -10.846 425 HE2 TYR 53 HE1 TYR 53 -3.855 14.420 -10.033 426 HH TYR 53 HH TYR 53 -1.614 13.544 -12.433 427 H TRP 54 HN TRP 54 -1.203 7.570 -6.942 428 HA TRP 54 HA TRP 54 -1.768 6.948 -4.220 429 HB2 TRP 54 HB2 TRP 54 0.601 5.784 -5.616 430 HB3 TRP 54 HB1 TRP 54 -0.588 5.000 -4.580 431 HD1 TRP 54 HD1 TRP 54 -3.166 4.829 -5.823 432 HE1 TRP 54 HE1 TRP 54 -3.663 4.117 -8.241 433 HE3 TRP 54 HE3 TRP 54 1.440 5.668 -7.881 434 HZ2 TRP 54 HZ2 TRP 54 -2.289 3.934 -10.700 435 HZ3 TRP 54 HZ3 TRP 54 1.763 5.198 -10.274 436 HH2 TRP 54 HH2 TRP 54 -0.064 4.349 -11.654 437 H HIS 55 HN HIS 55 -1.147 9.087 -3.375 438 HA HIS 55 HA HIS 55 1.291 10.271 -3.322 439 HB2 HIS 55 HB2 HIS 55 -0.577 9.895 -0.972 440 HB3 HIS 55 HB1 HIS 55 0.747 11.054 -1.023 441 HD1 HIS 55 HD1 HIS 55 0.371 13.222 -2.302 442 HD2 HIS 55 HD2 HIS 55 -2.798 10.551 -2.613 443 HE1 HIS 55 HE1 HIS 55 -1.512 14.530 -3.336 444 HE2 HIS 55 HE2 HIS 55 -3.404 12.881 -3.560 445 H TYR 56 HN TYR 56 3.274 9.845 -2.582 446 HA TYR 56 HA TYR 56 3.774 7.259 -1.379 447 HB2 TYR 56 HB2 TYR 56 5.720 9.454 -2.117 448 HB3 TYR 56 HB1 TYR 56 6.144 7.811 -1.648 449 HD1 TYR 56 HD2 TYR 56 4.399 6.116 -3.157 450 HD2 TYR 56 HD1 TYR 56 6.234 9.764 -4.345 451 HE1 TYR 56 HE2 TYR 56 4.272 5.406 -5.508 452 HE2 TYR 56 HE1 TYR 56 6.110 9.066 -6.700 453 HH TYR 56 HH TYR 56 4.240 6.445 -7.745 454 H TYR 57 HN TYR 57 2.812 7.524 0.659 455 HA TYR 57 HA TYR 57 3.581 9.603 2.445 456 HB2 TYR 57 HB2 TYR 57 2.058 7.031 2.772 457 HB3 TYR 57 HB1 TYR 57 2.473 8.030 4.161 458 HD1 TYR 57 HD2 TYR 57 1.475 10.237 4.451 459 HD2 TYR 57 HD1 TYR 57 0.382 7.743 1.184 460 HE1 TYR 57 HE2 TYR 57 -0.499 11.642 4.050 461 HE2 TYR 57 HE1 TYR 57 -1.599 9.141 0.772 462 HH TYR 57 HH TYR 57 -3.042 10.702 2.008 463 H ALA 58 HN ALA 58 4.861 9.495 4.280 464 HA ALA 58 HA ALA 58 6.838 7.311 4.293 465 HB1 ALA 58 HB1 ALA 58 7.778 9.474 3.624 466 HB2 ALA 58 HB2 ALA 58 8.455 8.914 5.153 467 HB3 ALA 58 HB3 ALA 58 7.227 10.179 5.143 468 H LEU 59 HN LEU 59 6.516 5.983 5.946 469 HA LEU 59 HA LEU 59 5.167 6.898 8.343 470 HB2 LEU 59 HB2 LEU 59 5.917 4.264 7.184 471 HB3 LEU 59 HB1 LEU 59 5.681 4.359 8.920 472 HG LEU 59 HG LEU 59 3.580 5.432 7.072 473 HD11 LEU 59 HD11 LEU 59 4.017 3.210 6.227 474 HD12 LEU 59 HD12 LEU 59 2.490 3.231 7.107 475 HD13 LEU 59 HD13 LEU 59 3.930 2.543 7.857 476 HD21 LEU 59 HD21 LEU 59 3.505 4.168 9.807 477 HD22 LEU 59 HD22 LEU 59 2.119 4.813 8.928 478 HD23 LEU 59 HD23 LEU 59 3.409 5.893 9.457 479 H SER 60 HN SER 60 5.999 6.688 10.453 480 HA SER 60 HA SER 60 8.747 7.435 10.679 481 HB2 SER 60 HB2 SER 60 8.283 7.532 13.104 482 HB3 SER 60 HB1 SER 60 7.058 8.388 12.169 483 HG SER 60 HG SER 60 5.665 7.138 13.096 484 H ASP 61 HN ASP 61 7.082 4.451 10.717 485 HA ASP 61 HA ASP 61 9.117 3.073 12.266 486 HB2 ASP 61 HB2 ASP 61 6.534 2.575 12.149 487 HB3 ASP 61 HB1 ASP 61 6.984 1.646 10.723 488 H GLY 62 HN GLY 62 8.713 4.067 9.093 489 HA2 GLY 62 HA1 GLY 62 10.339 3.780 7.412 490 HA3 GLY 62 HA2 GLY 62 10.901 2.331 8.234 491 H GLY 63 HN GLY 63 7.561 2.311 8.059 492 HA2 GLY 63 HA2 GLY 63 7.679 0.427 5.804 493 HA3 GLY 63 HA1 GLY 63 6.429 0.467 7.038 494 H PHE 64 HN PHE 64 7.737 3.128 5.118 495 HA PHE 64 HA PHE 64 5.587 4.615 4.622 496 HB2 PHE 64 HB2 PHE 64 6.567 5.298 2.499 497 HB3 PHE 64 HB1 PHE 64 7.834 5.067 3.699 498 HD1 PHE 64 HD2 PHE 64 8.951 2.701 3.707 499 HD2 PHE 64 HD1 PHE 64 6.807 4.345 0.419 500 HE1 PHE 64 HE2 PHE 64 10.111 1.157 2.182 501 HE2 PHE 64 HE1 PHE 64 7.962 2.804 -1.110 502 HZ PHE 64 HZ PHE 64 9.618 1.209 -0.229 503 H TYR 65 HN TYR 65 3.810 4.704 3.265 504 HA TYR 65 HA TYR 65 3.250 2.318 1.652 505 HB2 TYR 65 HB2 TYR 65 1.187 1.901 2.616 506 HB3 TYR 65 HB1 TYR 65 2.138 2.385 4.014 507 HD1 TYR 65 HD2 TYR 65 1.974 4.875 4.728 508 HD2 TYR 65 HD1 TYR 65 -0.824 2.957 2.156 509 HE1 TYR 65 HE2 TYR 65 0.314 6.611 5.250 510 HE2 TYR 65 HE1 TYR 65 -2.492 4.691 2.672 511 HH TYR 65 HH TYR 65 -1.708 7.592 4.232 512 H MET 66 HN MET 66 1.378 2.651 0.165 513 HA MET 66 HA MET 66 1.343 5.430 -0.828 514 HB2 MET 66 HB1 MET 66 1.083 2.849 -2.384 515 HB3 MET 66 HB2 MET 66 0.981 4.463 -3.071 516 HG2 MET 66 HG2 MET 66 3.262 4.902 -2.593 517 HG3 MET 66 HG1 MET 66 3.402 3.439 -1.620 518 HE1 MET 66 HE1 MET 66 2.639 3.250 -6.170 519 HE2 MET 66 HE2 MET 66 2.780 4.787 -5.316 520 HE3 MET 66 HE3 MET 66 1.433 3.704 -4.966 521 H ALA 67 HN ALA 67 -0.574 6.408 -1.125 522 HA ALA 67 HA ALA 67 -3.011 4.764 -1.047 523 HB1 ALA 67 HB1 ALA 67 -4.097 6.378 0.404 524 HB2 ALA 67 HB2 ALA 67 -2.630 7.355 0.448 525 HB3 ALA 67 HB3 ALA 67 -2.640 5.747 1.172 526 HA PRO 68 HA PRO 68 -3.885 7.108 -4.733 527 HB2 PRO 68 HB2 PRO 68 -6.466 6.309 -5.044 528 HB3 PRO 68 HB1 PRO 68 -5.082 5.290 -5.457 529 HG2 PRO 68 HG2 PRO 68 -6.784 5.270 -2.991 530 HG3 PRO 68 HG1 PRO 68 -6.184 3.902 -3.947 531 HD2 PRO 68 HD2 PRO 68 -5.012 4.669 -1.640 532 HD3 PRO 68 HD1 PRO 68 -4.082 3.995 -2.993 533 H ASP 69 HN ASP 69 -5.317 8.810 -5.450 534 HA ASP 69 HA ASP 69 -6.402 10.347 -3.197 535 HB2 ASP 69 HB2 ASP 69 -4.592 11.351 -4.626 536 HB3 ASP 69 HB1 ASP 69 -5.730 11.345 -5.969 537 H LEU 70 HN LEU 70 -8.397 9.203 -3.138 538 HA LEU 70 HA LEU 70 -10.292 10.075 -5.206 539 HB2 LEU 70 HB2 LEU 70 -9.521 7.369 -4.540 540 HB3 LEU 70 HB1 LEU 70 -11.230 7.615 -4.251 541 HG LEU 70 HG LEU 70 -11.624 8.181 -6.539 542 HD11 LEU 70 HD11 LEU 70 -9.801 8.238 -8.196 543 HD12 LEU 70 HD12 LEU 70 -8.631 8.090 -6.885 544 HD13 LEU 70 HD13 LEU 70 -9.660 9.517 -6.991 545 HD21 LEU 70 HD21 LEU 70 -10.675 6.124 -7.674 546 HD22 LEU 70 HD22 LEU 70 -11.610 5.848 -6.204 547 HD23 LEU 70 HD23 LEU 70 -9.848 5.788 -6.151 548 H ALA 71 HN ALA 71 -11.770 11.306 -4.256 549 HA ALA 71 HA ALA 71 -12.403 10.861 -1.425 550 HB1 ALA 71 HB1 ALA 71 -11.647 13.106 -2.036 551 HB2 ALA 71 HB2 ALA 71 -13.304 13.123 -1.433 552 HB3 ALA 71 HB3 ALA 71 -12.994 13.253 -3.164 553 H GLY 72 HN GLY 72 -14.053 9.478 -1.181 554 HA2 GLY 72 HA1 GLY 72 -16.639 9.885 -1.373 555 HA3 GLY 72 HA2 GLY 72 -16.297 9.566 -3.066 556 H ARG 73 HN ARG 73 -18.085 7.998 -1.695 557 HA ARG 73 HA ARG 73 -17.032 5.696 -0.502 558 HB2 ARG 73 HB1 ARG 73 -19.594 6.003 -2.078 559 HB3 ARG 73 HB2 ARG 73 -19.207 4.655 -1.017 560 HG2 ARG 73 HG1 ARG 73 -19.042 6.291 0.865 561 HG3 ARG 73 HG2 ARG 73 -19.657 7.524 -0.238 562 HD2 ARG 73 HD1 ARG 73 -21.460 6.600 1.107 563 HD3 ARG 73 HD2 ARG 73 -21.680 6.195 -0.594 564 HE ARG 73 HE ARG 73 -20.313 4.080 0.551 565 HH11 ARG 73 HH11 ARG 73 -23.403 5.645 0.929 566 HH12 ARG 73 HH12 ARG 73 -24.210 4.207 1.460 567 HH21 ARG 73 HH21 ARG 73 -21.366 2.184 1.250 568 HH22 ARG 73 HH22 ARG 73 -23.052 2.240 1.644 569 H LEU 74 HN LEU 74 -15.334 4.835 -1.595 570 HA LEU 74 HA LEU 74 -15.573 4.161 -4.408 571 HB2 LEU 74 HB1 LEU 74 -13.325 3.462 -2.529 572 HB3 LEU 74 HB2 LEU 74 -13.279 3.488 -4.281 573 HG LEU 74 HG LEU 74 -13.658 5.937 -2.559 574 HD11 LEU 74 HD11 LEU 74 -11.179 4.915 -3.936 575 HD12 LEU 74 HD12 LEU 74 -11.461 4.938 -2.195 576 HD13 LEU 74 HD13 LEU 74 -11.336 6.454 -3.088 577 HD21 LEU 74 HD21 LEU 74 -14.598 6.154 -4.793 578 HD22 LEU 74 HD22 LEU 74 -13.072 5.621 -5.499 579 HD23 LEU 74 HD23 LEU 74 -13.153 7.149 -4.622 580 H GLU 75 HN GLU 75 -16.791 2.426 -4.868 581 HA GLU 75 HA GLU 75 -17.211 0.249 -3.115 582 HB2 GLU 75 HB2 GLU 75 -17.575 0.370 -6.117 583 HB3 GLU 75 HB1 GLU 75 -18.246 -0.858 -5.053 584 HG2 GLU 75 HG1 GLU 75 -19.592 0.833 -3.931 585 HG3 GLU 75 HG2 GLU 75 -18.905 2.078 -4.974 586 H ILE 76 HN ILE 76 -15.231 -0.558 -2.433 587 HA ILE 76 HA ILE 76 -13.584 -1.833 -4.516 588 HB ILE 76 HB ILE 76 -12.847 -0.527 -1.933 589 HG12 ILE 76 HG12 ILE 76 -12.648 0.535 -4.242 590 HG13 ILE 76 HG11 ILE 76 -11.197 0.562 -3.245 591 HG21 ILE 76 HG21 ILE 76 -10.633 -1.655 -2.015 592 HG22 ILE 76 HG22 ILE 76 -11.286 -2.753 -3.233 593 HG23 ILE 76 HG23 ILE 76 -11.966 -2.737 -1.607 594 HD11 ILE 76 HD11 ILE 76 -10.226 -1.216 -4.500 595 HD12 ILE 76 HD12 ILE 76 -10.806 0.007 -5.632 596 HD13 ILE 76 HD13 ILE 76 -11.726 -1.477 -5.387 597 H GLU 77 HN GLU 77 -14.191 -3.889 -4.656 598 HA GLU 77 HA GLU 77 -14.769 -5.392 -2.226 599 HB2 GLU 77 HB2 GLU 77 -15.488 -7.194 -3.765 600 HB3 GLU 77 HB1 GLU 77 -16.352 -5.689 -4.031 601 HG2 GLU 77 HG1 GLU 77 -15.919 -6.384 -6.173 602 HG3 GLU 77 HG2 GLU 77 -14.580 -5.279 -5.869 603 H VAL 78 HN VAL 78 -13.547 -7.070 -1.496 604 HA VAL 78 HA VAL 78 -10.889 -7.314 -2.736 605 HB VAL 78 HB VAL 78 -10.365 -8.384 -0.404 606 HG11 VAL 78 HG11 VAL 78 -10.766 -5.411 -0.746 607 HG12 VAL 78 HG12 VAL 78 -9.361 -6.331 -1.288 608 HG13 VAL 78 HG13 VAL 78 -9.708 -6.184 0.435 609 HG21 VAL 78 HG21 VAL 78 -12.830 -6.764 0.160 610 HG22 VAL 78 HG22 VAL 78 -11.653 -7.222 1.392 611 HG23 VAL 78 HG23 VAL 78 -12.537 -8.466 0.513 612 H ASN 79 HN ASN 79 -10.866 -9.046 -4.060 613 HA ASN 79 HA ASN 79 -12.467 -11.341 -3.710 614 HB2 ASN 79 HB2 ASN 79 -9.829 -11.329 -5.167 615 HB3 ASN 79 HB1 ASN 79 -11.275 -12.266 -5.530 616 HD21 ASN 79 HD21 ASN 79 -9.833 -9.086 -5.609 617 HD22 ASN 79 HD22 ASN 79 -10.883 -8.427 -6.815 618 H GLY 80 HN GLY 80 -9.287 -10.441 -2.597 619 HA2 GLY 80 HA1 GLY 80 -8.114 -12.765 -1.835 620 HA3 GLY 80 HA2 GLY 80 -8.013 -11.295 -0.879 621 H ASN 81 HN ASN 81 -10.874 -11.263 -0.246 622 HA ASN 81 HA ASN 81 -11.219 -13.716 1.292 623 HB2 ASN 81 HB1 ASN 81 -11.541 -12.582 3.391 624 HB3 ASN 81 HB2 ASN 81 -9.968 -12.129 2.747 625 HD21 ASN 81 HD21 ASN 81 -9.652 -10.048 1.965 626 HD22 ASN 81 HD22 ASN 81 -10.730 -8.756 2.352 627 H GLY 82 HN GLY 82 -12.504 -11.986 -0.936 628 HA2 GLY 82 HA2 GLY 82 -14.603 -11.569 -1.701 629 HA3 GLY 82 HA1 GLY 82 -15.116 -12.819 -0.587 630 H PHE 83 HN PHE 83 -13.668 -9.800 0.577 631 HA PHE 83 HA PHE 83 -16.208 -9.255 1.899 632 HB2 PHE 83 HB2 PHE 83 -14.284 -9.078 3.317 633 HB3 PHE 83 HB1 PHE 83 -13.486 -7.986 2.192 634 HD1 PHE 83 HD1 PHE 83 -16.457 -8.271 4.399 635 HD2 PHE 83 HD2 PHE 83 -13.717 -5.688 2.416 636 HE1 PHE 83 HE1 PHE 83 -17.418 -6.343 5.590 637 HE2 PHE 83 HE2 PHE 83 -14.672 -3.757 3.604 638 HZ PHE 83 HZ PHE 83 -16.525 -4.083 5.193 639 H ARG 84 HN ARG 84 -17.669 -8.274 0.704 640 HA ARG 84 HA ARG 84 -16.895 -6.220 -1.202 641 HB2 ARG 84 HB2 ARG 84 -18.613 -7.984 -1.732 642 HB3 ARG 84 HB1 ARG 84 -19.668 -7.229 -0.547 643 HG2 ARG 84 HG1 ARG 84 -18.545 -5.600 -2.780 644 HG3 ARG 84 HG2 ARG 84 -19.925 -6.662 -3.065 645 HD2 ARG 84 HD1 ARG 84 -21.165 -5.540 -1.289 646 HD3 ARG 84 HD2 ARG 84 -19.782 -4.491 -0.976 647 HE ARG 84 HE ARG 84 -20.220 -3.954 -3.530 648 HH11 ARG 84 HH11 ARG 84 -22.493 -4.291 -0.909 649 HH12 ARG 84 HH12 ARG 84 -23.634 -3.177 -1.586 650 HH21 ARG 84 HH21 ARG 84 -21.716 -2.487 -4.427 651 HH22 ARG 84 HH22 ARG 84 -23.193 -2.153 -3.585 652 H GLY 85 HN GLY 85 -16.675 -4.196 -0.544 653 HA2 GLY 85 HA1 GLY 85 -18.700 -2.878 0.976 654 HA3 GLY 85 HA2 GLY 85 -17.279 -3.191 1.959 655 H GLU 86 HN GLU 86 -18.570 -0.688 0.896 656 HA GLU 86 HA GLU 86 -16.621 0.425 -0.912 657 HB2 GLU 86 HB2 GLU 86 -18.813 1.798 0.659 658 HB3 GLU 86 HB1 GLU 86 -17.890 2.508 -0.657 659 HG2 GLU 86 HG2 GLU 86 -19.966 1.887 -1.565 660 HG3 GLU 86 HG1 GLU 86 -18.805 0.688 -2.132 661 H LEU 87 HN LEU 87 -14.897 1.683 -0.416 662 HA LEU 87 HA LEU 87 -14.568 2.608 2.339 663 HB2 LEU 87 HB2 LEU 87 -13.439 0.305 1.776 664 HB3 LEU 87 HB1 LEU 87 -12.243 1.309 0.978 665 HG LEU 87 HG LEU 87 -11.719 2.428 3.060 666 HD11 LEU 87 HD21 LEU 87 -12.753 1.721 5.173 667 HD12 LEU 87 HD22 LEU 87 -13.875 0.702 4.270 668 HD13 LEU 87 HD23 LEU 87 -13.921 2.455 4.074 669 HD21 LEU 87 HD11 LEU 87 -11.812 -0.568 3.384 670 HD22 LEU 87 HD12 LEU 87 -10.793 0.538 4.307 671 HD23 LEU 87 HD13 LEU 87 -10.547 0.353 2.569 672 H SER 88 HN SER 88 -12.545 4.022 2.502 673 HA SER 88 HA SER 88 -12.680 5.955 0.352 674 HB2 SER 88 HB1 SER 88 -11.301 7.365 1.841 675 HB3 SER 88 HB2 SER 88 -12.732 6.749 2.666 676 HG SER 88 HG SER 88 -11.340 6.080 4.090 677 H ALA 89 HN ALA 89 -10.689 6.928 -0.527 678 HA ALA 89 HA ALA 89 -9.049 5.006 -1.739 679 HB1 ALA 89 HB1 ALA 89 -8.452 7.943 -1.427 680 HB2 ALA 89 HB2 ALA 89 -9.525 7.261 -2.649 681 HB3 ALA 89 HB3 ALA 89 -7.811 6.850 -2.654 682 H ASP 90 HN ASP 90 -8.768 6.667 1.282 683 HA ASP 90 HA ASP 90 -5.945 6.209 1.592 684 HB2 ASP 90 HB2 ASP 90 -6.916 8.125 2.695 685 HB3 ASP 90 HB1 ASP 90 -8.081 7.106 3.536 686 H ALA 91 HN ALA 91 -8.854 4.940 3.223 687 HA ALA 91 HA ALA 91 -7.467 2.933 4.645 688 HB1 ALA 91 HB1 ALA 91 -9.631 3.817 5.361 689 HB2 ALA 91 HB2 ALA 91 -9.670 2.062 5.194 690 HB3 ALA 91 HB3 ALA 91 -10.395 3.082 3.952 691 H ALA 92 HN ALA 92 -8.100 3.144 1.374 692 HA ALA 92 HA ALA 92 -8.304 0.234 1.041 693 HB1 ALA 92 HB1 ALA 92 -8.705 2.426 -0.994 694 HB2 ALA 92 HB2 ALA 92 -9.987 1.575 -0.131 695 HB3 ALA 92 HB3 ALA 92 -8.953 0.700 -1.260 696 H GLY 93 HN GLY 93 -6.364 3.052 0.165 697 HA2 GLY 93 HA2 GLY 93 -4.560 1.865 -1.586 698 HA3 GLY 93 HA1 GLY 93 -4.180 3.219 -0.530 699 H ILE 94 HN ILE 94 -4.773 1.667 1.885 700 HA ILE 94 HA ILE 94 -2.193 0.690 2.438 701 HB ILE 94 HB ILE 94 -4.739 -0.025 3.898 702 HG12 ILE 94 HG11 ILE 94 -3.031 2.085 5.010 703 HG13 ILE 94 HG12 ILE 94 -3.772 2.514 3.470 704 HG21 ILE 94 HG21 ILE 94 -3.259 -0.323 5.829 705 HG22 ILE 94 HG22 ILE 94 -1.864 0.019 4.806 706 HG23 ILE 94 HG23 ILE 94 -2.843 -1.418 4.511 707 HD11 ILE 94 HD11 ILE 94 -5.178 3.250 5.255 708 HD12 ILE 94 HD12 ILE 94 -5.189 1.636 5.967 709 HD13 ILE 94 HD13 ILE 94 -5.970 1.920 4.411 710 H VAL 95 HN VAL 95 -5.235 -1.030 1.805 711 HA VAL 95 HA VAL 95 -4.137 -3.629 1.900 712 HB VAL 95 HB VAL 95 -6.607 -2.679 0.432 713 HG11 VAL 95 HG21 VAL 95 -7.361 -5.000 0.625 714 HG12 VAL 95 HG22 VAL 95 -5.818 -5.439 1.356 715 HG13 VAL 95 HG23 VAL 95 -5.873 -4.878 -0.314 716 HG21 VAL 95 HG11 VAL 95 -6.295 -3.748 3.236 717 HG22 VAL 95 HG12 VAL 95 -7.828 -3.398 2.438 718 HG23 VAL 95 HG13 VAL 95 -6.698 -2.089 2.788 719 H ALA 96 HN ALA 96 -4.130 -1.149 -0.487 720 HA ALA 96 HA ALA 96 -3.715 -2.844 -2.761 721 HB1 ALA 96 HB1 ALA 96 -3.221 -0.783 -3.958 722 HB2 ALA 96 HB2 ALA 96 -3.158 0.100 -2.432 723 HB3 ALA 96 HB3 ALA 96 -4.678 -0.605 -2.979 724 H THR 97 HN THR 97 -1.597 -0.832 -0.739 725 HA THR 97 HA THR 97 0.778 -1.581 -2.144 726 HB THR 97 HB THR 97 0.818 0.540 -1.072 727 HG1 THR 97 HG1 THR 97 2.694 0.310 0.156 728 HG21 THR 97 HG21 THR 97 -0.894 0.120 0.630 729 HG22 THR 97 HG22 THR 97 0.552 0.833 1.342 730 HG23 THR 97 HG23 THR 97 0.239 -0.893 1.525 731 H LEU 98 HN LEU 98 -0.719 -2.555 0.924 732 HA LEU 98 HA LEU 98 1.272 -4.161 1.953 733 HB2 LEU 98 HB2 LEU 98 -1.720 -4.384 2.071 734 HB3 LEU 98 HB1 LEU 98 -0.689 -5.538 2.893 735 HG LEU 98 HG LEU 98 -0.656 -2.559 3.391 736 HD11 LEU 98 HD11 LEU 98 -1.772 -3.114 5.507 737 HD12 LEU 98 HD12 LEU 98 -1.920 -4.790 4.977 738 HD13 LEU 98 HD13 LEU 98 -2.768 -3.513 4.106 739 HD21 LEU 98 HD21 LEU 98 0.654 -4.849 4.852 740 HD22 LEU 98 HD22 LEU 98 0.670 -3.160 5.360 741 HD23 LEU 98 HD23 LEU 98 1.474 -3.638 3.864 742 H PHE 99 HN PHE 99 -1.370 -5.204 -0.212 743 HA PHE 99 HA PHE 99 -0.573 -7.863 -0.470 744 HB2 PHE 99 HB1 PHE 99 -2.274 -6.011 -2.055 745 HB3 PHE 99 HB2 PHE 99 -1.733 -7.486 -2.853 746 HD1 PHE 99 HD1 PHE 99 -3.745 -6.118 -0.103 747 HD2 PHE 99 HD2 PHE 99 -2.545 -9.632 -2.187 748 HE1 PHE 99 HE1 PHE 99 -5.540 -7.386 1.003 749 HE2 PHE 99 HE2 PHE 99 -4.340 -10.903 -1.085 750 HZ PHE 99 HZ PHE 99 -5.841 -9.779 0.512 751 H ALA 100 HN ALA 100 0.534 -4.983 -2.133 752 HA ALA 100 HA ALA 100 2.001 -6.330 -4.166 753 HB1 ALA 100 HB1 ALA 100 3.059 -4.164 -4.565 754 HB2 ALA 100 HB2 ALA 100 2.371 -3.546 -3.064 755 HB3 ALA 100 HB3 ALA 100 1.311 -3.997 -4.399 756 H LEU 101 HN LEU 101 2.753 -5.178 -0.935 757 HA LEU 101 HA LEU 101 5.523 -5.461 -0.953 758 HB2 LEU 101 HB2 LEU 101 3.565 -5.884 1.303 759 HB3 LEU 101 HB1 LEU 101 5.301 -5.768 1.512 760 HG LEU 101 HG LEU 101 3.589 -3.564 0.357 761 HD11 LEU 101 HD11 LEU 101 2.965 -3.970 2.669 762 HD12 LEU 101 HD12 LEU 101 3.867 -2.462 2.528 763 HD13 LEU 101 HD13 LEU 101 4.659 -3.908 3.155 764 HD21 LEU 101 HD21 LEU 101 5.561 -2.178 0.769 765 HD22 LEU 101 HD22 LEU 101 5.918 -3.493 -0.350 766 HD23 LEU 101 HD23 LEU 101 6.444 -3.599 1.330 767 H GLY 102 HN GLY 102 2.993 -7.837 -0.260 768 HA2 GLY 102 HA2 GLY 102 4.801 -9.931 0.436 769 HA3 GLY 102 HA1 GLY 102 3.091 -10.111 0.078 770 H GLN 103 HN GLN 103 3.279 -8.930 -2.580 771 HA GLN 103 HA GLN 103 3.926 -11.302 -4.013 772 HB2 GLN 103 HB1 GLN 103 2.144 -9.726 -4.708 773 HB3 GLN 103 HB2 GLN 103 3.376 -8.534 -5.095 774 HG2 GLN 103 HG1 GLN 103 4.231 -9.866 -6.863 775 HG3 GLN 103 HG2 GLN 103 3.251 -11.249 -6.376 776 HE21 GLN 103 HE21 GLN 103 3.268 -8.156 -7.951 777 HE22 GLN 103 HE22 GLN 103 1.704 -8.287 -8.673 778 H LEU 104 HN LEU 104 5.416 -8.068 -3.919 779 HA LEU 104 HA LEU 104 7.536 -8.631 -5.662 780 HB2 LEU 104 HB1 LEU 104 6.617 -6.408 -4.492 781 HB3 LEU 104 HB2 LEU 104 7.961 -6.735 -3.417 782 HG LEU 104 HG LEU 104 8.542 -5.154 -5.202 783 HD11 LEU 104 HD21 LEU 104 10.292 -6.525 -4.222 784 HD12 LEU 104 HD22 LEU 104 10.605 -6.247 -5.936 785 HD13 LEU 104 HD23 LEU 104 9.967 -7.800 -5.396 786 HD21 LEU 104 HD11 LEU 104 8.743 -5.925 -7.511 787 HD22 LEU 104 HD12 LEU 104 7.072 -5.992 -6.948 788 HD23 LEU 104 HD13 LEU 104 8.027 -7.471 -7.055 789 H ALA 105 HN ALA 105 7.233 -8.946 -2.155 790 HA ALA 105 HA ALA 105 9.913 -9.587 -1.595 791 HB1 ALA 105 HB1 ALA 105 7.430 -10.428 -0.104 792 HB2 ALA 105 HB2 ALA 105 8.309 -8.916 0.125 793 HB3 ALA 105 HB3 ALA 105 9.077 -10.453 0.524 794 H ALA 106 HN ALA 106 7.169 -11.564 -2.573 795 HA ALA 106 HA ALA 106 8.665 -14.032 -2.265 796 HB1 ALA 106 HB1 ALA 106 5.909 -13.579 -3.404 797 HB2 ALA 106 HB2 ALA 106 6.271 -13.957 -1.720 798 HB3 ALA 106 HB3 ALA 106 6.626 -15.135 -2.984 799 H GLU 107 HN GLU 107 8.301 -11.653 -4.628 800 HA GLU 107 HA GLU 107 8.519 -13.353 -6.934 801 HB2 GLU 107 HB2 GLU 107 7.429 -11.184 -7.122 802 HB3 GLU 107 HB1 GLU 107 8.902 -10.371 -6.609 803 HG2 GLU 107 HG1 GLU 107 10.036 -11.137 -8.626 804 HG3 GLU 107 HG2 GLU 107 8.569 -11.970 -9.138 805 H ILE 108 HN ILE 108 10.710 -11.580 -4.854 806 HA ILE 108 HA ILE 108 12.990 -12.224 -6.556 807 HB ILE 108 HB ILE 108 14.288 -10.956 -4.780 808 HG12 ILE 108 HG11 ILE 108 11.502 -10.144 -3.913 809 HG13 ILE 108 HG12 ILE 108 12.566 -11.206 -2.996 810 HG21 ILE 108 HG21 ILE 108 13.686 -9.970 -6.914 811 HG22 ILE 108 HG22 ILE 108 13.554 -8.771 -5.627 812 HG23 ILE 108 HG23 ILE 108 12.100 -9.525 -6.283 813 HD11 ILE 108 HD11 ILE 108 12.581 -8.931 -2.130 814 HD12 ILE 108 HD12 ILE 108 13.140 -8.336 -3.694 815 HD13 ILE 108 HD13 ILE 108 14.168 -9.403 -2.736 816 H ALA 109 HN ALA 109 13.536 -14.323 -6.360 817 HA ALA 109 HA ALA 109 13.361 -15.789 -3.926 818 HB1 ALA 109 HB1 ALA 109 14.865 -16.453 -6.455 819 HB2 ALA 109 HB2 ALA 109 13.189 -16.876 -6.107 820 HB3 ALA 109 HB3 ALA 109 14.492 -17.574 -5.146 821 H ASP 110 HN ASP 110 14.533 -14.535 -2.420 822 HA ASP 110 HA ASP 110 17.382 -15.115 -2.426 823 HB2 ASP 110 HB2 ASP 110 16.310 -12.295 -2.183 824 HB3 ASP 110 HB1 ASP 110 17.976 -12.771 -1.866 825 H THR 111 HN THR 111 18.228 -13.794 -0.260 826 HA THR 111 HA THR 111 16.334 -14.486 1.886 827 HB THR 111 HB THR 111 18.033 -16.259 1.705 828 HG1 THR 111 HG1 THR 111 17.874 -14.585 3.950 829 HG21 THR 111 HG21 THR 111 19.863 -14.952 0.759 830 HG22 THR 111 HG22 THR 111 20.382 -15.765 2.235 831 HG23 THR 111 HG23 THR 111 20.007 -14.042 2.263 832 H ASP 112 HN ASP 112 18.124 -12.119 0.450 833 HA ASP 112 HA ASP 112 18.558 -10.653 2.959 834 HB2 ASP 112 HB2 ASP 112 19.975 -9.135 1.512 835 HB3 ASP 112 HB1 ASP 112 20.586 -10.773 1.718 836 H ALA 113 HN ALA 113 17.619 -9.912 -0.411 837 HA ALA 113 HA ALA 113 16.194 -7.558 0.416 838 HB1 ALA 113 HB1 ALA 113 15.671 -7.286 -1.944 839 HB2 ALA 113 HB2 ALA 113 16.283 -8.905 -2.280 840 HB3 ALA 113 HB3 ALA 113 17.384 -7.645 -1.724 841 H ALA 114 HN ALA 114 15.427 -10.872 0.055 842 HA ALA 114 HA ALA 114 12.625 -10.515 -0.488 843 HB1 ALA 114 HB1 ALA 114 13.814 -12.524 -1.223 844 HB2 ALA 114 HB2 ALA 114 12.462 -12.925 -0.163 845 HB3 ALA 114 HB3 ALA 114 14.113 -12.962 0.459 846 H ASP 115 HN ASP 115 14.513 -10.108 2.225 847 HA ASP 115 HA ASP 115 12.189 -10.463 3.997 848 HB2 ASP 115 HB1 ASP 115 15.104 -10.934 4.658 849 HB3 ASP 115 HB2 ASP 115 13.791 -10.971 5.830 850 H ALA 116 HN ALA 116 14.347 -8.321 2.623 851 HA ALA 116 HA ALA 116 14.587 -6.491 4.827 852 HB1 ALA 116 HB1 ALA 116 16.318 -6.645 3.094 853 HB2 ALA 116 HB2 ALA 116 15.663 -5.014 3.226 854 HB3 ALA 116 HB3 ALA 116 15.161 -6.060 1.898 855 H LEU 117 HN LEU 117 12.758 -6.550 1.770 856 HA LEU 117 HA LEU 117 11.373 -4.125 2.352 857 HB2 LEU 117 HB2 LEU 117 10.249 -4.411 0.329 858 HB3 LEU 117 HB1 LEU 117 11.815 -5.137 0.049 859 HG LEU 117 HG LEU 117 10.323 -6.588 -0.986 860 HD11 LEU 117 HD11 LEU 117 11.921 -7.701 0.588 861 HD12 LEU 117 HD12 LEU 117 10.497 -8.648 0.162 862 HD13 LEU 117 HD13 LEU 117 10.584 -7.844 1.727 863 HD21 LEU 117 HD21 LEU 117 8.262 -5.653 -0.122 864 HD22 LEU 117 HD22 LEU 117 8.551 -6.415 1.441 865 HD23 LEU 117 HD23 LEU 117 8.253 -7.411 0.016 866 H ILE 118 HN ILE 118 11.023 -7.339 3.363 867 HA ILE 118 HA ILE 118 8.247 -7.545 3.722 868 HB ILE 118 HB ILE 118 10.605 -8.841 5.050 869 HG12 ILE 118 HG12 ILE 118 9.895 -9.600 2.820 870 HG13 ILE 118 HG11 ILE 118 9.677 -10.860 4.031 871 HG21 ILE 118 HG21 ILE 118 7.730 -9.333 5.826 872 HG22 ILE 118 HG22 ILE 118 8.922 -8.493 6.818 873 HG23 ILE 118 HG23 ILE 118 9.144 -10.200 6.427 874 HD11 ILE 118 HD11 ILE 118 7.516 -9.099 2.902 875 HD12 ILE 118 HD12 ILE 118 7.291 -10.343 4.131 876 HD13 ILE 118 HD13 ILE 118 7.803 -10.793 2.504 877 H ASP 119 HN ASP 119 10.774 -6.052 5.622 878 HA ASP 119 HA ASP 119 9.498 -5.649 8.040 879 HB2 ASP 119 HB2 ASP 119 11.731 -4.449 6.592 880 HB3 ASP 119 HB1 ASP 119 10.914 -3.306 7.652 881 H ARG 120 HN ARG 120 9.314 -3.716 5.082 882 HA ARG 120 HA ARG 120 7.858 -1.555 6.018 883 HB2 ARG 120 HB2 ARG 120 7.928 -2.914 3.333 884 HB3 ARG 120 HB1 ARG 120 6.935 -1.491 3.619 885 HG2 ARG 120 HG1 ARG 120 8.995 -0.803 2.624 886 HG3 ARG 120 HG2 ARG 120 8.978 -0.265 4.304 887 HD2 ARG 120 HD2 ARG 120 10.366 -2.183 4.928 888 HD3 ARG 120 HD1 ARG 120 10.388 -2.711 3.246 889 HE ARG 120 HE ARG 120 11.417 -0.324 2.940 890 HH11 ARG 120 HH11 ARG 120 12.021 -2.605 5.503 891 HH12 ARG 120 HH12 ARG 120 13.639 -2.058 5.784 892 HH21 ARG 120 HH21 ARG 120 13.549 0.402 3.301 893 HH22 ARG 120 HH22 ARG 120 14.509 -0.348 4.533 894 H TYR 121 HN TYR 121 6.734 -4.744 5.014 895 HA TYR 121 HA TYR 121 3.982 -4.178 5.027 896 HB2 TYR 121 HB2 TYR 121 4.965 -6.211 4.014 897 HB3 TYR 121 HB1 TYR 121 5.338 -6.816 5.625 898 HD1 TYR 121 HD2 TYR 121 3.391 -7.247 7.218 899 HD2 TYR 121 HD1 TYR 121 2.865 -6.599 3.046 900 HE1 TYR 121 HE2 TYR 121 1.169 -8.293 7.342 901 HE2 TYR 121 HE1 TYR 121 0.640 -7.641 3.159 902 HH TYR 121 HH TYR 121 -0.941 -8.287 6.098 903 H HIS 122 HN HIS 122 6.002 -5.713 7.529 904 HA HIS 122 HA HIS 122 4.025 -5.924 9.489 905 HB2 HIS 122 HB1 HIS 122 7.020 -5.625 9.753 906 HB3 HIS 122 HB2 HIS 122 5.953 -6.008 11.100 907 HD1 HIS 122 HD1 HIS 122 5.527 -8.420 11.494 908 HD2 HIS 122 HD2 HIS 122 6.903 -7.687 7.644 909 HE1 HIS 122 HE1 HIS 122 5.853 -10.687 10.455 910 HE2 HIS 122 HE2 HIS 122 6.587 -10.215 8.091 911 H PHE 123 HN PHE 123 6.095 -3.237 8.600 912 HA PHE 123 HA PHE 123 5.579 -1.636 10.883 913 HB2 PHE 123 HB2 PHE 123 6.433 -0.838 8.095 914 HB3 PHE 123 HB1 PHE 123 6.419 0.241 9.484 915 HD1 PHE 123 HD2 PHE 123 7.390 -2.080 11.396 916 HD2 PHE 123 HD1 PHE 123 8.787 -0.454 7.719 917 HE1 PHE 123 HE2 PHE 123 9.681 -2.779 11.961 918 HE2 PHE 123 HE1 PHE 123 11.079 -1.149 8.278 919 HZ PHE 123 HZ PHE 123 11.528 -2.312 10.401 920 H LEU 124 HN LEU 124 4.237 -1.483 7.582 921 HA LEU 124 HA LEU 124 2.378 0.558 8.127 922 HB2 LEU 124 HB1 LEU 124 2.992 0.093 5.863 923 HB3 LEU 124 HB2 LEU 124 2.454 -1.569 5.996 924 HG LEU 124 HG LEU 124 0.120 -0.779 6.214 925 HD11 LEU 124 HD21 LEU 124 0.537 1.405 7.186 926 HD12 LEU 124 HD22 LEU 124 -0.401 1.562 5.701 927 HD13 LEU 124 HD23 LEU 124 1.322 1.938 5.699 928 HD21 LEU 124 HD11 LEU 124 -0.155 -0.069 3.889 929 HD22 LEU 124 HD12 LEU 124 0.985 -1.407 4.031 930 HD23 LEU 124 HD13 LEU 124 1.578 0.234 3.778 931 H ARG 125 HN ARG 125 2.032 -2.970 8.067 932 HA ARG 125 HA ARG 125 -0.650 -3.271 8.454 933 HB2 ARG 125 HB2 ARG 125 0.954 -5.137 8.221 934 HB3 ARG 125 HB1 ARG 125 1.505 -4.851 9.866 935 HG2 ARG 125 HG2 ARG 125 -0.723 -5.386 10.710 936 HG3 ARG 125 HG1 ARG 125 -1.279 -5.669 9.059 937 HD2 ARG 125 HD1 ARG 125 0.393 -7.465 8.832 938 HD3 ARG 125 HD2 ARG 125 0.873 -7.206 10.509 939 HE ARG 125 HE ARG 125 -1.888 -7.671 10.429 940 HH11 ARG 125 HH11 ARG 125 1.113 -9.359 9.892 941 HH12 ARG 125 HH12 ARG 125 0.467 -10.907 10.324 942 HH21 ARG 125 HH21 ARG 125 -2.745 -9.703 10.999 943 HH22 ARG 125 HH22 ARG 125 -1.726 -11.103 10.953 944 H GLY 126 HN GLY 126 1.765 -2.415 10.906 945 HA2 GLY 126 HA1 GLY 126 -0.068 -2.524 13.088 946 HA3 GLY 126 HA2 GLY 126 1.526 -1.787 13.102 947 H PHE 127 HN PHE 127 0.845 -0.012 10.812 948 HA PHE 127 HA PHE 127 -0.191 2.157 12.340 949 HB2 PHE 127 HB1 PHE 127 1.469 2.653 10.703 950 HB3 PHE 127 HB2 PHE 127 0.567 1.831 9.436 951 HD1 PHE 127 HD2 PHE 127 0.652 4.835 11.574 952 HD2 PHE 127 HD1 PHE 127 -1.091 2.943 8.184 953 HE1 PHE 127 HE2 PHE 127 -0.373 6.972 10.914 954 HE2 PHE 127 HE1 PHE 127 -2.116 5.077 7.516 955 HZ PHE 127 HZ PHE 127 -1.760 7.094 8.882 956 H ALA 128 HN ALA 128 -1.489 -0.028 9.924 957 HA ALA 128 HA ALA 128 -3.865 1.372 9.351 958 HB1 ALA 128 HB1 ALA 128 -3.358 -1.598 9.224 959 HB2 ALA 128 HB2 ALA 128 -3.002 -0.439 7.945 960 HB3 ALA 128 HB3 ALA 128 -4.672 -0.731 8.431 961 H ALA 129 HN ALA 129 -2.865 -0.274 12.149 962 HA ALA 129 HA ALA 129 -5.459 -1.111 13.051 963 HB1 ALA 129 HB1 ALA 129 -4.342 -1.634 15.147 964 HB2 ALA 129 HB2 ALA 129 -2.898 -0.779 14.610 965 HB3 ALA 129 HB3 ALA 129 -3.412 -2.249 13.783 966 H GLY 130 HN GLY 130 -3.573 1.785 13.191 967 HA2 GLY 130 HA1 GLY 130 -5.074 2.943 15.382 968 HA3 GLY 130 HA2 GLY 130 -3.838 3.743 14.422 969 H HIS 131 HN HIS 131 -5.691 2.447 12.150 970 HA HIS 131 HA HIS 131 -7.054 4.929 11.614 971 HB2 HIS 131 HB2 HIS 131 -6.491 2.419 10.133 972 HB3 HIS 131 HB1 HIS 131 -7.934 3.309 9.654 973 HD1 HIS 131 HD1 HIS 131 -7.400 5.983 9.156 974 HD2 HIS 131 HD2 HIS 131 -4.254 3.282 8.892 975 HE1 HIS 131 HE1 HIS 131 -5.635 7.140 7.789 976 HE2 HIS 131 HE2 HIS 131 -3.795 5.438 7.538 977 HA PRO 132 HA PRO 132 -10.965 3.935 13.401 978 HB2 PRO 132 HB1 PRO 132 -12.619 5.282 11.682 979 HB3 PRO 132 HB2 PRO 132 -11.686 6.061 12.963 980 HG2 PRO 132 HG2 PRO 132 -11.076 5.833 10.043 981 HG3 PRO 132 HG1 PRO 132 -10.878 7.226 11.123 982 HD2 PRO 132 HD2 PRO 132 -8.797 5.678 10.401 983 HD3 PRO 132 HD1 PRO 132 -8.904 6.413 12.015 984 H GLU 133 HN GLU 133 -10.299 3.300 10.044 985 HA GLU 133 HA GLU 133 -12.566 1.447 9.874 986 HB2 GLU 133 HB1 GLU 133 -10.746 2.638 7.791 987 HB3 GLU 133 HB2 GLU 133 -11.834 1.303 7.434 988 HG2 GLU 133 HG2 GLU 133 -13.004 3.192 6.771 989 HG3 GLU 133 HG1 GLU 133 -13.681 2.790 8.348 990 H ALA 134 HN ALA 134 -9.806 1.184 11.224 991 HA ALA 134 HA ALA 134 -8.121 -0.612 10.137 992 HB1 ALA 134 HB1 ALA 134 -7.673 -1.479 12.367 993 HB2 ALA 134 HB2 ALA 134 -9.185 -0.785 12.954 994 HB3 ALA 134 HB3 ALA 134 -7.883 0.271 12.408 995 H ALA 135 HN ALA 135 -11.234 -1.433 11.644 996 HA ALA 135 HA ALA 135 -11.137 -4.173 11.447 997 HB1 ALA 135 HB1 ALA 135 -12.911 -2.946 12.601 998 HB2 ALA 135 HB2 ALA 135 -13.569 -4.138 11.480 999 HB3 ALA 135 HB3 ALA 135 -13.562 -2.429 11.046 1000 H ALA 136 HN ALA 136 -12.203 -1.860 8.970 1001 HA ALA 136 HA ALA 136 -12.875 -3.864 7.062 1002 HB1 ALA 136 HB1 ALA 136 -12.283 -0.940 6.630 1003 HB2 ALA 136 HB2 ALA 136 -13.862 -1.632 7.003 1004 HB3 ALA 136 HB3 ALA 136 -13.066 -2.022 5.478 1005 H ILE 137 HN ILE 137 -9.986 -1.927 7.655 1006 HA ILE 137 HA ILE 137 -8.594 -2.592 5.316 1007 HB ILE 137 HB ILE 137 -7.523 -1.812 8.022 1008 HG12 ILE 137 HG12 ILE 137 -7.956 -0.139 5.540 1009 HG13 ILE 137 HG11 ILE 137 -9.082 -0.204 6.892 1010 HG21 ILE 137 HG21 ILE 137 -5.486 -1.158 6.801 1011 HG22 ILE 137 HG22 ILE 137 -6.156 -1.877 5.336 1012 HG23 ILE 137 HG23 ILE 137 -5.789 -2.894 6.729 1013 HD11 ILE 137 HD11 ILE 137 -7.345 0.675 8.369 1014 HD12 ILE 137 HD12 ILE 137 -7.691 1.765 7.027 1015 HD13 ILE 137 HD13 ILE 137 -6.238 0.765 6.999 1016 H TYR 138 HN TYR 138 -8.294 -4.045 8.586 1017 HA TYR 138 HA TYR 138 -6.338 -5.920 7.780 1018 HB2 TYR 138 HB2 TYR 138 -6.332 -6.647 9.943 1019 HB3 TYR 138 HB1 TYR 138 -7.117 -5.091 10.179 1020 HD1 TYR 138 HD1 TYR 138 -9.580 -4.993 10.509 1021 HD2 TYR 138 HD2 TYR 138 -7.474 -8.685 10.386 1022 HE1 TYR 138 HE1 TYR 138 -11.493 -6.113 11.574 1023 HE2 TYR 138 HE2 TYR 138 -9.382 -9.818 11.446 1024 HH TYR 138 HH TYR 138 -11.307 -9.235 12.874 1025 H ARG 139 HN ARG 139 -9.859 -6.058 7.896 1026 HA ARG 139 HA ARG 139 -10.009 -8.862 7.379 1027 HB2 ARG 139 HB1 ARG 139 -12.369 -8.512 7.011 1028 HB3 ARG 139 HB2 ARG 139 -11.866 -7.562 8.403 1029 HG2 ARG 139 HG2 ARG 139 -11.800 -5.555 7.016 1030 HG3 ARG 139 HG1 ARG 139 -12.299 -6.508 5.616 1031 HD2 ARG 139 HD2 ARG 139 -14.171 -5.287 6.653 1032 HD3 ARG 139 HD1 ARG 139 -14.404 -7.035 6.674 1033 HE ARG 139 HE ARG 139 -13.338 -6.627 9.080 1034 HH11 ARG 139 HH11 ARG 139 -15.871 -4.922 7.401 1035 HH12 ARG 139 HH12 ARG 139 -16.710 -4.479 8.849 1036 HH21 ARG 139 HH21 ARG 139 -14.438 -6.050 10.993 1037 HH22 ARG 139 HH22 ARG 139 -15.896 -5.120 10.892 1038 H ALA 140 HN ALA 140 -9.833 -5.983 5.414 1039 HA ALA 140 HA ALA 140 -10.551 -7.151 2.945 1040 HB1 ALA 140 HB1 ALA 140 -9.566 -5.189 1.916 1041 HB2 ALA 140 HB2 ALA 140 -8.761 -4.774 3.430 1042 HB3 ALA 140 HB3 ALA 140 -10.522 -4.727 3.325 1043 H ILE 141 HN ILE 141 -7.527 -6.953 4.713 1044 HA ILE 141 HA ILE 141 -6.045 -8.133 2.498 1045 HB ILE 141 HB ILE 141 -4.062 -7.878 3.894 1046 HG12 ILE 141 HG12 ILE 141 -5.895 -6.681 5.983 1047 HG13 ILE 141 HG11 ILE 141 -5.239 -8.313 6.070 1048 HG21 ILE 141 HG21 ILE 141 -4.786 -5.994 2.531 1049 HG22 ILE 141 HG22 ILE 141 -4.028 -5.435 4.024 1050 HG23 ILE 141 HG23 ILE 141 -5.785 -5.403 3.860 1051 HD11 ILE 141 HD11 ILE 141 -3.969 -6.771 7.448 1052 HD12 ILE 141 HD12 ILE 141 -3.630 -5.772 6.035 1053 HD13 ILE 141 HD13 ILE 141 -2.980 -7.408 6.134 1054 H ASP 142 HN ASP 142 -7.734 -9.130 5.279 1055 HA ASP 142 HA ASP 142 -6.224 -11.597 5.602 1056 HB2 ASP 142 HB2 ASP 142 -7.057 -10.465 7.608 1057 HB3 ASP 142 HB1 ASP 142 -8.709 -10.602 7.013 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -14.584 9.687 19.482 2 H2 MET 1 HT2 MET 1 -13.304 9.512 18.391 3 H3 MET 1 HT3 MET 1 -14.376 10.810 18.235 4 HA MET 1 HA MET 1 -12.294 11.538 19.180 5 HB2 MET 1 HB2 MET 1 -14.453 12.606 19.834 6 HB3 MET 1 HB1 MET 1 -14.522 11.536 21.227 7 HG2 MET 1 HG1 MET 1 -12.191 13.360 20.767 8 HG3 MET 1 HG2 MET 1 -13.658 13.916 21.568 9 HE1 MET 1 HE1 MET 1 -13.793 11.581 24.712 10 HE2 MET 1 HE2 MET 1 -14.561 11.307 23.147 11 HE3 MET 1 HE3 MET 1 -14.563 12.920 23.861 12 H ASN 2 HN ASN 2 -10.510 10.732 20.031 13 HA ASN 2 HA ASN 2 -10.628 9.252 22.531 14 HB2 ASN 2 HB2 ASN 2 -9.144 7.450 21.615 15 HB3 ASN 2 HB1 ASN 2 -10.779 7.439 20.959 16 HD21 ASN 2 HD21 ASN 2 -10.158 6.332 19.123 17 HD22 ASN 2 HD22 ASN 2 -9.241 7.072 17.859 18 H THR 3 HN THR 3 -8.248 8.640 23.165 19 HA THR 3 HA THR 3 -6.474 10.872 22.426 20 HB THR 3 HB THR 3 -7.393 11.366 24.621 21 HG1 THR 3 HG1 THR 3 -5.001 10.632 25.607 22 HG21 THR 3 HG21 THR 3 -6.304 8.670 25.440 23 HG22 THR 3 HG22 THR 3 -8.008 9.106 25.306 24 HG23 THR 3 HG23 THR 3 -6.995 9.871 26.530 25 H GLU 4 HN GLU 4 -6.893 7.588 22.518 26 HA GLU 4 HA GLU 4 -4.418 6.600 23.353 27 HB2 GLU 4 HB2 GLU 4 -6.419 5.205 22.963 28 HB3 GLU 4 HB1 GLU 4 -6.253 5.480 21.235 29 HG2 GLU 4 HG1 GLU 4 -4.089 4.361 21.263 30 HG3 GLU 4 HG2 GLU 4 -4.256 4.086 22.995 31 H GLU 5 HN GLU 5 -5.456 6.636 19.989 32 HA GLU 5 HA GLU 5 -4.391 7.103 18.036 33 HB2 GLU 5 HB1 GLU 5 -3.954 9.298 19.044 34 HB3 GLU 5 HB2 GLU 5 -2.495 8.668 19.795 35 HG2 GLU 5 HG1 GLU 5 -1.938 9.954 17.835 36 HG3 GLU 5 HG2 GLU 5 -1.540 8.256 17.578 37 H GLN 6 HN GLN 6 -2.940 6.073 16.754 38 HA GLN 6 HA GLN 6 -1.444 3.934 17.882 39 HB2 GLN 6 HB2 GLN 6 -0.636 3.657 15.490 40 HB3 GLN 6 HB1 GLN 6 -2.373 3.550 15.743 41 HG2 GLN 6 HG1 GLN 6 -2.655 5.827 14.962 42 HG3 GLN 6 HG2 GLN 6 -0.910 5.994 14.770 43 HE21 GLN 6 HE21 GLN 6 -0.585 3.286 13.751 44 HE22 GLN 6 HE22 GLN 6 -1.181 3.308 12.133 45 HA PRO 7 HA PRO 7 2.389 5.981 18.658 46 HB2 PRO 7 HB2 PRO 7 3.717 3.405 18.236 47 HB3 PRO 7 HB1 PRO 7 3.599 4.368 19.712 48 HG2 PRO 7 HG2 PRO 7 2.260 2.055 19.421 49 HG3 PRO 7 HG1 PRO 7 1.581 3.423 20.322 50 HD2 PRO 7 HD2 PRO 7 0.993 2.517 17.525 51 HD3 PRO 7 HD1 PRO 7 -0.128 3.069 18.788 52 H VAL 8 HN VAL 8 1.539 4.734 15.768 53 HA VAL 8 HA VAL 8 3.987 5.738 14.477 54 HB VAL 8 HB VAL 8 2.345 3.429 13.435 55 HG11 VAL 8 HG21 VAL 8 5.028 4.510 12.591 56 HG12 VAL 8 HG22 VAL 8 3.506 4.726 11.725 57 HG13 VAL 8 HG23 VAL 8 4.204 3.115 11.892 58 HG21 VAL 8 HG11 VAL 8 5.009 3.349 14.848 59 HG22 VAL 8 HG12 VAL 8 4.181 1.975 14.114 60 HG23 VAL 8 HG13 VAL 8 3.473 2.789 15.510 61 H THR 9 HN THR 9 3.697 7.075 12.743 62 HA THR 9 HA THR 9 1.040 7.320 11.560 63 HB THR 9 HB THR 9 1.073 9.789 11.766 64 HG1 THR 9 HG1 THR 9 3.195 10.260 12.191 65 HG21 THR 9 HG21 THR 9 -0.265 8.472 13.323 66 HG22 THR 9 HG22 THR 9 0.407 9.888 14.132 67 HG23 THR 9 HG23 THR 9 1.126 8.299 14.393 68 H ALA 10 HN ALA 10 1.064 7.887 9.453 69 HA ALA 10 HA ALA 10 3.636 7.999 8.140 70 HB1 ALA 10 HB1 ALA 10 2.367 7.853 6.070 71 HB2 ALA 10 HB2 ALA 10 0.862 8.085 6.958 72 HB3 ALA 10 HB3 ALA 10 1.824 6.629 7.216 73 H SER 11 HN SER 11 3.439 9.578 6.037 74 HA SER 11 HA SER 11 2.385 12.181 6.702 75 HB2 SER 11 HB1 SER 11 4.459 12.201 8.006 76 HB3 SER 11 HB2 SER 11 5.381 11.778 6.564 77 HG SER 11 HG SER 11 5.041 13.757 5.742 78 H LEU 12 HN LEU 12 2.386 13.630 4.950 79 HA LEU 12 HA LEU 12 2.668 12.322 2.371 80 HB2 LEU 12 HB2 LEU 12 0.652 13.689 3.039 81 HB3 LEU 12 HB1 LEU 12 1.673 15.110 2.938 82 HG LEU 12 HG LEU 12 2.072 14.633 0.545 83 HD11 LEU 12 HD21 LEU 12 1.765 12.210 0.619 84 HD12 LEU 12 HD22 LEU 12 0.721 12.953 -0.593 85 HD13 LEU 12 HD23 LEU 12 0.048 12.435 0.953 86 HD21 LEU 12 HD11 LEU 12 0.292 16.155 1.192 87 HD22 LEU 12 HD12 LEU 12 -0.831 14.803 1.341 88 HD23 LEU 12 HD13 LEU 12 -0.170 15.231 -0.237 89 H VAL 13 HN VAL 13 4.463 12.476 1.222 90 HA VAL 13 HA VAL 13 6.460 14.478 1.872 91 HB VAL 13 HB VAL 13 6.579 12.302 -0.222 92 HG11 VAL 13 HG11 VAL 13 9.010 12.617 -0.047 93 HG12 VAL 13 HG12 VAL 13 8.747 13.956 1.069 94 HG13 VAL 13 HG13 VAL 13 8.192 14.078 -0.601 95 HG21 VAL 13 HG21 VAL 13 7.530 12.288 2.640 96 HG22 VAL 13 HG22 VAL 13 7.885 11.042 1.444 97 HG23 VAL 13 HG23 VAL 13 6.222 11.318 1.963 98 H ALA 14 HN ALA 14 7.381 15.922 0.358 99 HA ALA 14 HA ALA 14 5.605 17.364 -1.211 100 HB1 ALA 14 HB1 ALA 14 7.696 18.298 -0.391 101 HB2 ALA 14 HB2 ALA 14 7.573 18.490 -2.140 102 HB3 ALA 14 HB3 ALA 14 8.607 17.234 -1.461 103 H GLU 15 HN GLU 15 5.720 17.753 -3.571 104 HA GLU 15 HA GLU 15 5.554 15.232 -4.971 105 HB2 GLU 15 HB2 GLU 15 4.739 16.619 -6.859 106 HB3 GLU 15 HB1 GLU 15 3.826 16.867 -5.376 107 HG2 GLU 15 HG2 GLU 15 5.108 18.918 -4.951 108 HG3 GLU 15 HG1 GLU 15 5.966 18.678 -6.474 109 H ALA 16 HN ALA 16 7.745 17.936 -4.788 110 HA ALA 16 HA ALA 16 9.205 17.149 -7.162 111 HB1 ALA 16 HB1 ALA 16 9.843 19.256 -5.102 112 HB2 ALA 16 HB2 ALA 16 8.964 19.517 -6.609 113 HB3 ALA 16 HB3 ALA 16 10.660 19.035 -6.648 114 H GLN 17 HN GLN 17 9.069 15.934 -4.109 115 HA GLN 17 HA GLN 17 11.888 15.078 -4.198 116 HB2 GLN 17 HB2 GLN 17 10.149 15.563 -1.775 117 HB3 GLN 17 HB1 GLN 17 11.760 14.862 -1.723 118 HG2 GLN 17 HG2 GLN 17 11.178 17.583 -2.856 119 HG3 GLN 17 HG1 GLN 17 11.610 17.301 -1.170 120 HE21 GLN 17 HE21 GLN 17 12.713 17.087 -4.479 121 HE22 GLN 17 HE22 GLN 17 14.402 17.055 -4.120 122 H ARG 18 HN ARG 18 8.598 14.156 -4.116 123 HA ARG 18 HA ARG 18 8.901 11.559 -3.006 124 HB2 ARG 18 HB1 ARG 18 6.656 11.141 -3.819 125 HB3 ARG 18 HB2 ARG 18 6.739 12.743 -3.101 126 HG2 ARG 18 HG1 ARG 18 6.924 13.715 -5.355 127 HG3 ARG 18 HG2 ARG 18 6.757 12.097 -6.041 128 HD2 ARG 18 HD2 ARG 18 4.723 13.487 -4.303 129 HD3 ARG 18 HD1 ARG 18 4.634 13.323 -6.056 130 HE ARG 18 HE ARG 18 4.758 10.909 -4.397 131 HH11 ARG 18 HH11 ARG 18 2.997 12.997 -6.560 132 HH12 ARG 18 HH12 ARG 18 1.749 11.838 -6.871 133 HH21 ARG 18 HH21 ARG 18 3.119 9.376 -4.800 134 HH22 ARG 18 HH22 ARG 18 1.820 9.779 -5.870 135 H LEU 19 HN LEU 19 9.568 12.887 -6.111 136 HA LEU 19 HA LEU 19 9.316 10.503 -7.635 137 HB2 LEU 19 HB2 LEU 19 10.273 11.675 -9.406 138 HB3 LEU 19 HB1 LEU 19 9.423 12.904 -8.492 139 HG LEU 19 HG LEU 19 12.398 12.389 -8.358 140 HD11 LEU 19 HD11 LEU 19 10.843 14.568 -9.744 141 HD12 LEU 19 HD12 LEU 19 11.760 13.278 -10.523 142 HD13 LEU 19 HD13 LEU 19 12.598 14.508 -9.577 143 HD21 LEU 19 HD21 LEU 19 12.492 14.471 -7.110 144 HD22 LEU 19 HD22 LEU 19 11.470 13.294 -6.282 145 HD23 LEU 19 HD23 LEU 19 10.736 14.616 -7.191 146 H ASP 20 HN ASP 20 11.722 11.695 -5.484 147 HA ASP 20 HA ASP 20 13.576 9.575 -6.356 148 HB2 ASP 20 HB2 ASP 20 14.402 11.969 -6.500 149 HB3 ASP 20 HB1 ASP 20 14.303 12.023 -4.742 150 H PHE 21 HN PHE 21 11.365 10.423 -4.077 151 HA PHE 21 HA PHE 21 12.561 9.620 -1.651 152 HB2 PHE 21 HB2 PHE 21 10.411 10.929 -1.925 153 HB3 PHE 21 HB1 PHE 21 9.631 9.407 -2.349 154 HD1 PHE 21 HD1 PHE 21 11.248 11.302 0.345 155 HD2 PHE 21 HD2 PHE 21 9.111 7.772 -0.693 156 HE1 PHE 21 HE1 PHE 21 10.869 10.835 2.730 157 HE2 PHE 21 HE2 PHE 21 8.729 7.297 1.690 158 HZ PHE 21 HZ PHE 21 9.608 8.830 3.405 159 H LEU 22 HN LEU 22 10.703 7.872 -4.100 160 HA LEU 22 HA LEU 22 10.503 5.432 -2.727 161 HB2 LEU 22 HB2 LEU 22 10.050 6.397 -5.445 162 HB3 LEU 22 HB1 LEU 22 10.577 4.725 -5.387 163 HG LEU 22 HG LEU 22 8.228 5.801 -3.840 164 HD11 LEU 22 HD21 LEU 22 6.852 4.626 -5.516 165 HD12 LEU 22 HD22 LEU 22 8.310 4.340 -6.467 166 HD13 LEU 22 HD23 LEU 22 7.749 5.988 -6.189 167 HD21 LEU 22 HD11 LEU 22 7.667 3.458 -3.522 168 HD22 LEU 22 HD12 LEU 22 9.265 3.818 -2.867 169 HD23 LEU 22 HD13 LEU 22 9.113 2.982 -4.412 170 HA PRO 23 HA PRO 23 14.463 3.994 -5.101 171 HB2 PRO 23 HB2 PRO 23 16.056 5.926 -6.161 172 HB3 PRO 23 HB1 PRO 23 14.772 5.125 -7.071 173 HG2 PRO 23 HG2 PRO 23 14.743 7.790 -5.701 174 HG3 PRO 23 HG1 PRO 23 14.113 7.345 -7.298 175 HD2 PRO 23 HD2 PRO 23 12.517 7.602 -5.136 176 HD3 PRO 23 HD1 PRO 23 12.190 6.421 -6.420 177 H THR 24 HN THR 24 14.218 6.728 -3.079 178 HA THR 24 HA THR 24 16.934 6.525 -2.070 179 HB THR 24 HB THR 24 14.659 8.409 -1.555 180 HG1 THR 24 HG1 THR 24 17.020 8.402 -2.947 181 HG21 THR 24 HG21 THR 24 17.262 8.366 -0.031 182 HG22 THR 24 HG22 THR 24 15.696 7.893 0.626 183 HG23 THR 24 HG23 THR 24 15.971 9.559 0.117 184 H TYR 25 HN TYR 25 13.640 5.909 -0.883 185 HA TYR 25 HA TYR 25 14.837 4.775 1.557 186 HB2 TYR 25 HB2 TYR 25 12.095 5.922 1.062 187 HB3 TYR 25 HB1 TYR 25 12.508 5.014 2.514 188 HD1 TYR 25 HD2 TYR 25 14.185 5.917 4.101 189 HD2 TYR 25 HD1 TYR 25 12.807 8.184 0.776 190 HE1 TYR 25 HE2 TYR 25 15.065 7.963 5.141 191 HE2 TYR 25 HE1 TYR 25 13.685 10.238 1.806 192 HH TYR 25 HH TYR 25 14.276 11.077 4.029 193 H PHE 26 HN PHE 26 12.656 4.080 -1.104 194 HA PHE 26 HA PHE 26 12.024 1.458 -0.011 195 HB2 PHE 26 HB2 PHE 26 10.481 3.115 -1.409 196 HB3 PHE 26 HB1 PHE 26 11.207 2.258 -2.764 197 HD1 PHE 26 HD2 PHE 26 9.923 1.228 0.588 198 HD2 PHE 26 HD1 PHE 26 9.803 0.678 -3.629 199 HE1 PHE 26 HE2 PHE 26 8.307 -0.605 0.878 200 HE2 PHE 26 HE1 PHE 26 8.186 -1.155 -3.347 201 HZ PHE 26 HZ PHE 26 7.436 -1.799 -1.092 202 H GLY 27 HN GLY 27 13.849 2.914 -2.649 203 HA2 GLY 27 HA2 GLY 27 15.989 1.526 -2.970 204 HA3 GLY 27 HA1 GLY 27 14.854 0.258 -3.411 205 HA PRO 28 HA PRO 28 15.795 3.632 -6.858 206 HB2 PRO 28 HB2 PRO 28 17.993 2.408 -8.021 207 HB3 PRO 28 HB1 PRO 28 18.062 3.816 -6.958 208 HG2 PRO 28 HG2 PRO 28 18.518 0.932 -6.322 209 HG3 PRO 28 HG1 PRO 28 19.378 2.363 -5.724 210 HD2 PRO 28 HD2 PRO 28 17.563 1.092 -4.216 211 HD3 PRO 28 HD1 PRO 28 17.730 2.860 -4.170 212 H ARG 29 HN ARG 29 15.833 0.186 -6.520 213 HA ARG 29 HA ARG 29 14.980 -0.202 -9.281 214 HB2 ARG 29 HB1 ARG 29 16.636 -1.758 -8.489 215 HB3 ARG 29 HB2 ARG 29 15.669 -2.143 -7.073 216 HG2 ARG 29 HG1 ARG 29 14.435 -2.636 -9.717 217 HG3 ARG 29 HG2 ARG 29 15.756 -3.698 -9.227 218 HD2 ARG 29 HD1 ARG 29 14.575 -4.209 -7.148 219 HD3 ARG 29 HD2 ARG 29 13.257 -3.143 -7.632 220 HE ARG 29 HE ARG 29 13.218 -4.801 -9.659 221 HH11 ARG 29 HH11 ARG 29 13.709 -5.541 -6.289 222 HH12 ARG 29 HH12 ARG 29 13.009 -7.122 -6.402 223 HH21 ARG 29 HH21 ARG 29 12.293 -6.882 -9.815 224 HH22 ARG 29 HH22 ARG 29 12.205 -7.883 -8.405 225 H LEU 30 HN LEU 30 13.757 -0.651 -5.962 226 HA LEU 30 HA LEU 30 11.322 -1.831 -6.649 227 HB2 LEU 30 HB2 LEU 30 12.261 -0.277 -4.256 228 HB3 LEU 30 HB1 LEU 30 10.650 -0.952 -4.348 229 HG LEU 30 HG LEU 30 11.720 -3.217 -4.662 230 HD11 LEU 30 HD21 LEU 30 14.198 -1.703 -3.849 231 HD12 LEU 30 HD22 LEU 30 13.913 -2.466 -5.413 232 HD13 LEU 30 HD23 LEU 30 14.051 -3.457 -3.961 233 HD21 LEU 30 HD11 LEU 30 12.272 -1.693 -2.120 234 HD22 LEU 30 HD12 LEU 30 12.291 -3.450 -2.274 235 HD23 LEU 30 HD13 LEU 30 10.792 -2.558 -2.532 236 H MET 31 HN MET 31 12.246 1.563 -6.283 237 HA MET 31 HA MET 31 10.051 2.982 -6.008 238 HB2 MET 31 HB2 MET 31 10.870 4.549 -7.828 239 HB3 MET 31 HB1 MET 31 12.021 4.144 -6.562 240 HG2 MET 31 HG2 MET 31 13.459 3.520 -8.110 241 HG3 MET 31 HG1 MET 31 12.361 2.224 -8.581 242 HE1 MET 31 HE1 MET 31 13.558 3.845 -11.990 243 HE2 MET 31 HE2 MET 31 13.468 2.350 -11.061 244 HE3 MET 31 HE3 MET 31 14.499 3.670 -10.509 245 H MET 32 HN MET 32 10.683 1.230 -9.044 246 HA MET 32 HA MET 32 8.022 2.013 -9.982 247 HB2 MET 32 HB1 MET 32 8.715 1.164 -12.161 248 HB3 MET 32 HB2 MET 32 9.888 2.324 -11.550 249 HG2 MET 32 HG1 MET 32 11.406 0.581 -10.958 250 HG3 MET 32 HG2 MET 32 10.204 -0.656 -11.321 251 HE1 MET 32 HE1 MET 32 12.103 2.039 -14.552 252 HE2 MET 32 HE2 MET 32 12.488 2.167 -12.836 253 HE3 MET 32 HE3 MET 32 10.880 2.602 -13.414 254 H ARG 33 HN ARG 33 9.957 -0.786 -9.123 255 HA ARG 33 HA ARG 33 8.106 -2.759 -9.946 256 HB2 ARG 33 HB2 ARG 33 10.255 -2.900 -7.826 257 HB3 ARG 33 HB1 ARG 33 9.415 -4.282 -8.516 258 HG2 ARG 33 HG2 ARG 33 11.090 -2.352 -10.106 259 HG3 ARG 33 HG1 ARG 33 11.676 -3.886 -9.459 260 HD2 ARG 33 HD1 ARG 33 9.397 -3.548 -11.406 261 HD3 ARG 33 HD2 ARG 33 11.028 -4.083 -11.813 262 HE ARG 33 HE ARG 33 10.029 -5.775 -9.828 263 HH11 ARG 33 HH11 ARG 33 9.409 -4.961 -13.159 264 HH12 ARG 33 HH12 ARG 33 8.783 -6.525 -13.559 265 HH21 ARG 33 HH21 ARG 33 9.207 -7.838 -10.346 266 HH22 ARG 33 HH22 ARG 33 8.668 -8.161 -11.960 267 H GLY 34 HN GLY 34 8.069 -0.567 -7.330 268 HA2 GLY 34 HA2 GLY 34 6.199 -2.280 -5.833 269 HA3 GLY 34 HA1 GLY 34 7.087 -0.921 -5.159 270 H GLU 35 HN GLU 35 6.578 1.001 -7.137 271 HA GLU 35 HA GLU 35 4.115 2.014 -6.278 272 HB2 GLU 35 HB1 GLU 35 4.396 3.745 -7.925 273 HB3 GLU 35 HB2 GLU 35 5.972 3.378 -7.239 274 HG2 GLU 35 HG1 GLU 35 6.567 2.093 -9.191 275 HG3 GLU 35 HG2 GLU 35 4.956 2.320 -9.867 276 H ALA 36 HN ALA 36 5.011 0.206 -9.179 277 HA ALA 36 HA ALA 36 2.386 0.350 -10.326 278 HB1 ALA 36 HB1 ALA 36 4.679 -1.485 -11.010 279 HB2 ALA 36 HB2 ALA 36 4.392 0.108 -11.709 280 HB3 ALA 36 HB3 ALA 36 3.243 -1.198 -11.993 281 H LEU 37 HN LEU 37 3.991 -1.799 -8.111 282 HA LEU 37 HA LEU 37 2.213 -4.002 -8.479 283 HB2 LEU 37 HB2 LEU 37 4.622 -3.554 -7.150 284 HB3 LEU 37 HB1 LEU 37 3.474 -3.929 -5.880 285 HG LEU 37 HG LEU 37 2.846 -5.974 -7.291 286 HD11 LEU 37 HD21 LEU 37 3.901 -5.289 -9.364 287 HD12 LEU 37 HD22 LEU 37 4.612 -6.794 -8.778 288 HD13 LEU 37 HD23 LEU 37 5.479 -5.271 -8.576 289 HD21 LEU 37 HD11 LEU 37 5.572 -5.764 -6.024 290 HD22 LEU 37 HD12 LEU 37 4.733 -7.271 -6.390 291 HD23 LEU 37 HD13 LEU 37 4.056 -6.151 -5.208 292 H VAL 38 HN VAL 38 2.269 -1.209 -6.348 293 HA VAL 38 HA VAL 38 0.265 -2.200 -4.565 294 HB VAL 38 HB VAL 38 0.193 -0.039 -3.578 295 HG11 VAL 38 HG11 VAL 38 2.991 -0.588 -4.544 296 HG12 VAL 38 HG12 VAL 38 2.218 -1.294 -3.126 297 HG13 VAL 38 HG13 VAL 38 2.565 0.435 -3.174 298 HG21 VAL 38 HG21 VAL 38 -0.067 1.296 -5.596 299 HG22 VAL 38 HG22 VAL 38 1.620 1.004 -6.020 300 HG23 VAL 38 HG23 VAL 38 1.221 1.939 -4.579 301 H TYR 39 HN TYR 39 0.246 -0.159 -7.438 302 HA TYR 39 HA TYR 39 -2.574 0.353 -7.289 303 HB2 TYR 39 HB1 TYR 39 -2.109 1.929 -8.817 304 HB3 TYR 39 HB2 TYR 39 -0.420 1.467 -8.657 305 HD1 TYR 39 HD1 TYR 39 0.638 0.015 -10.316 306 HD2 TYR 39 HD2 TYR 39 -3.386 1.316 -10.767 307 HE1 TYR 39 HE1 TYR 39 0.699 -0.638 -12.688 308 HE2 TYR 39 HE2 TYR 39 -3.340 0.664 -13.138 309 HH TYR 39 HH TYR 39 -1.672 0.307 -14.916 310 H ALA 40 HN ALA 40 -0.584 -2.157 -8.504 311 HA ALA 40 HA ALA 40 -2.240 -3.173 -10.548 312 HB1 ALA 40 HB1 ALA 40 -0.298 -4.665 -8.787 313 HB2 ALA 40 HB2 ALA 40 0.108 -3.823 -10.283 314 HB3 ALA 40 HB3 ALA 40 -0.955 -5.231 -10.322 315 H TRP 41 HN TRP 41 -2.149 -3.694 -7.067 316 HA TRP 41 HA TRP 41 -4.212 -5.715 -7.153 317 HB2 TRP 41 HB2 TRP 41 -2.816 -4.307 -4.872 318 HB3 TRP 41 HB1 TRP 41 -4.073 -5.517 -4.638 319 HD1 TRP 41 HD1 TRP 41 -0.394 -5.155 -5.442 320 HE1 TRP 41 HE1 TRP 41 0.679 -7.489 -5.559 321 HE3 TRP 41 HE3 TRP 41 -4.635 -8.014 -5.308 322 HZ2 TRP 41 HZ2 TRP 41 -0.155 -10.185 -5.592 323 HZ3 TRP 41 HZ3 TRP 41 -4.408 -10.463 -5.387 324 HH2 TRP 41 HH2 TRP 41 -2.215 -11.524 -5.526 325 H MET 42 HN MET 42 -3.954 -2.281 -6.576 326 HA MET 42 HA MET 42 -6.400 -1.809 -5.325 327 HB2 MET 42 HB1 MET 42 -4.423 -0.211 -5.782 328 HB3 MET 42 HB2 MET 42 -5.197 0.076 -7.334 329 HG2 MET 42 HG2 MET 42 -5.786 1.774 -5.693 330 HG3 MET 42 HG1 MET 42 -7.195 0.859 -6.229 331 HE1 MET 42 HE1 MET 42 -8.085 1.660 -2.513 332 HE2 MET 42 HE2 MET 42 -8.610 1.753 -4.194 333 HE3 MET 42 HE3 MET 42 -7.225 2.699 -3.650 334 H ARG 43 HN ARG 43 -5.590 -2.168 -8.727 335 HA ARG 43 HA ARG 43 -8.225 -1.473 -9.646 336 HB2 ARG 43 HB2 ARG 43 -7.391 -2.157 -11.862 337 HB3 ARG 43 HB1 ARG 43 -6.317 -1.014 -11.067 338 HG2 ARG 43 HG2 ARG 43 -4.883 -2.909 -10.377 339 HG3 ARG 43 HG1 ARG 43 -5.926 -3.988 -11.307 340 HD2 ARG 43 HD2 ARG 43 -4.393 -1.642 -12.419 341 HD3 ARG 43 HD1 ARG 43 -3.914 -3.333 -12.556 342 HE ARG 43 HE ARG 43 -6.497 -3.077 -13.584 343 HH11 ARG 43 HH11 ARG 43 -3.251 -2.042 -14.316 344 HH12 ARG 43 HH12 ARG 43 -3.522 -1.968 -16.025 345 HH21 ARG 43 HH21 ARG 43 -6.863 -2.983 -15.833 346 HH22 ARG 43 HH22 ARG 43 -5.575 -2.502 -16.887 347 H ARG 44 HN ARG 44 -7.023 -4.156 -8.136 348 HA ARG 44 HA ARG 44 -8.645 -6.080 -9.618 349 HB2 ARG 44 HB1 ARG 44 -6.722 -6.415 -7.313 350 HB3 ARG 44 HB2 ARG 44 -7.639 -7.736 -8.024 351 HG2 ARG 44 HG2 ARG 44 -6.547 -7.307 -10.183 352 HG3 ARG 44 HG1 ARG 44 -5.595 -6.026 -9.426 353 HD2 ARG 44 HD1 ARG 44 -4.631 -7.669 -7.883 354 HD3 ARG 44 HD2 ARG 44 -5.569 -8.943 -8.659 355 HE ARG 44 HE ARG 44 -3.977 -7.556 -10.553 356 HH11 ARG 44 HH11 ARG 44 -3.806 -9.932 -8.011 357 HH12 ARG 44 HH12 ARG 44 -2.411 -10.721 -8.666 358 HH21 ARG 44 HH21 ARG 44 -2.140 -8.588 -11.424 359 HH22 ARG 44 HH22 ARG 44 -1.463 -9.957 -10.605 360 H LEU 45 HN LEU 45 -8.874 -4.036 -6.945 361 HA LEU 45 HA LEU 45 -10.839 -5.643 -5.529 362 HB2 LEU 45 HB2 LEU 45 -10.213 -2.794 -4.883 363 HB3 LEU 45 HB1 LEU 45 -10.747 -4.074 -3.823 364 HG LEU 45 HG LEU 45 -8.004 -3.947 -5.071 365 HD11 LEU 45 HD11 LEU 45 -7.221 -3.336 -2.837 366 HD12 LEU 45 HD12 LEU 45 -8.890 -3.270 -2.270 367 HD13 LEU 45 HD13 LEU 45 -8.326 -2.124 -3.487 368 HD21 LEU 45 HD21 LEU 45 -8.764 -6.213 -4.566 369 HD22 LEU 45 HD22 LEU 45 -9.123 -5.726 -2.910 370 HD23 LEU 45 HD23 LEU 45 -7.458 -5.716 -3.490 371 H CYS 46 HN CYS 46 -10.747 -3.053 -7.832 372 HA CYS 46 HA CYS 46 -13.671 -2.802 -7.622 373 HB2 CYS 46 HB2 CYS 46 -12.579 -0.720 -6.918 374 HB3 CYS 46 HB1 CYS 46 -11.693 -0.663 -8.438 375 HG CYS 46 HG CYS 46 -14.972 -0.851 -8.929 376 H GLU 47 HN GLU 47 -14.822 -2.594 -9.590 377 HA GLU 47 HA GLU 47 -13.477 -3.889 -11.826 378 HB2 GLU 47 HB2 GLU 47 -15.730 -4.152 -12.762 379 HB3 GLU 47 HB1 GLU 47 -15.636 -4.779 -11.121 380 HG2 GLU 47 HG2 GLU 47 -16.735 -2.815 -10.261 381 HG3 GLU 47 HG1 GLU 47 -16.732 -2.075 -11.861 382 H ARG 48 HN ARG 48 -14.531 -0.763 -10.882 383 HA ARG 48 HA ARG 48 -14.272 0.206 -13.651 384 HB2 ARG 48 HB1 ARG 48 -15.623 1.516 -11.286 385 HB3 ARG 48 HB2 ARG 48 -15.516 2.198 -12.902 386 HG2 ARG 48 HG2 ARG 48 -16.838 0.354 -13.784 387 HG3 ARG 48 HG1 ARG 48 -16.928 -0.359 -12.172 388 HD2 ARG 48 HD1 ARG 48 -18.091 1.641 -11.361 389 HD3 ARG 48 HD2 ARG 48 -18.017 2.334 -12.980 390 HE ARG 48 HE ARG 48 -19.258 -0.104 -13.270 391 HH11 ARG 48 HH11 ARG 48 -19.841 2.831 -11.486 392 HH12 ARG 48 HH12 ARG 48 -21.564 2.658 -11.511 393 HH21 ARG 48 HH21 ARG 48 -21.527 -0.342 -13.308 394 HH22 ARG 48 HH22 ARG 48 -22.522 0.854 -12.546 395 H TYR 49 HN TYR 49 -12.343 -0.227 -11.155 396 HA TYR 49 HA TYR 49 -11.242 2.311 -10.617 397 HB2 TYR 49 HB2 TYR 49 -10.899 -0.151 -9.543 398 HB3 TYR 49 HB1 TYR 49 -9.419 -0.013 -10.489 399 HD1 TYR 49 HD1 TYR 49 -7.971 2.070 -10.119 400 HD2 TYR 49 HD2 TYR 49 -11.072 0.886 -7.461 401 HE1 TYR 49 HE1 TYR 49 -6.971 3.452 -8.347 402 HE2 TYR 49 HE2 TYR 49 -10.082 2.259 -5.682 403 HH TYR 49 HH TYR 49 -7.657 4.566 -6.274 404 H ASN 50 HN ASN 50 -11.044 3.315 -12.645 405 HA ASN 50 HA ASN 50 -9.343 2.241 -14.687 406 HB2 ASN 50 HB1 ASN 50 -10.340 5.081 -14.376 407 HB3 ASN 50 HB2 ASN 50 -9.721 4.337 -15.847 408 HD21 ASN 50 HD21 ASN 50 -11.085 1.800 -15.281 409 HD22 ASN 50 HD22 ASN 50 -12.750 2.072 -15.653 410 H GLY 51 HN GLY 51 -9.067 5.109 -12.576 411 HA2 GLY 51 HA2 GLY 51 -6.281 4.599 -12.089 412 HA3 GLY 51 HA1 GLY 51 -6.540 5.946 -13.186 413 H ALA 52 HN ALA 52 -5.283 6.198 -10.680 414 HA ALA 52 HA ALA 52 -7.015 8.194 -9.489 415 HB1 ALA 52 HB1 ALA 52 -6.841 7.307 -7.230 416 HB2 ALA 52 HB2 ALA 52 -5.960 5.904 -7.835 417 HB3 ALA 52 HB3 ALA 52 -7.645 6.152 -8.293 418 H TYR 53 HN TYR 53 -5.890 9.688 -8.140 419 HA TYR 53 HA TYR 53 -3.142 10.013 -8.863 420 HB2 TYR 53 HB2 TYR 53 -5.212 11.705 -8.103 421 HB3 TYR 53 HB1 TYR 53 -4.077 11.773 -6.756 422 HD1 TYR 53 HD1 TYR 53 -1.617 12.225 -7.320 423 HD2 TYR 53 HD2 TYR 53 -4.829 12.933 -10.012 424 HE1 TYR 53 HE1 TYR 53 -0.191 13.761 -8.611 425 HE2 TYR 53 HE2 TYR 53 -3.422 14.465 -11.310 426 HH TYR 53 HH TYR 53 -1.425 15.858 -10.990 427 H TRP 54 HN TRP 54 -1.998 8.349 -7.902 428 HA TRP 54 HA TRP 54 -2.181 7.647 -5.197 429 HB2 TRP 54 HB2 TRP 54 0.308 7.315 -6.856 430 HB3 TRP 54 HB1 TRP 54 -0.308 6.269 -5.579 431 HD1 TRP 54 HD1 TRP 54 -3.258 5.822 -6.594 432 HE1 TRP 54 HE1 TRP 54 -3.701 4.445 -8.717 433 HE3 TRP 54 HE3 TRP 54 1.340 6.226 -8.794 434 HZ2 TRP 54 HZ2 TRP 54 -2.287 3.632 -11.024 435 HZ3 TRP 54 HZ3 TRP 54 1.711 5.118 -10.959 436 HH2 TRP 54 HH2 TRP 54 -0.065 3.847 -12.049 437 H HIS 55 HN HIS 55 -0.753 7.993 -3.530 438 HA HIS 55 HA HIS 55 0.972 10.364 -3.671 439 HB2 HIS 55 HB2 HIS 55 -1.046 9.791 -1.492 440 HB3 HIS 55 HB1 HIS 55 0.162 11.068 -1.435 441 HD1 HIS 55 HD1 HIS 55 -0.192 13.106 -3.031 442 HD2 HIS 55 HD2 HIS 55 -3.289 10.339 -2.997 443 HE1 HIS 55 HE1 HIS 55 -2.133 14.263 -4.132 444 HE2 HIS 55 HE2 HIS 55 -4.033 12.617 -3.980 445 H TYR 56 HN TYR 56 2.879 10.180 -2.587 446 HA TYR 56 HA TYR 56 3.454 7.594 -1.396 447 HB2 TYR 56 HB1 TYR 56 5.262 9.951 -1.971 448 HB3 TYR 56 HB2 TYR 56 5.801 8.392 -1.359 449 HD1 TYR 56 HD2 TYR 56 3.572 7.011 -3.260 450 HD2 TYR 56 HD1 TYR 56 6.871 9.634 -3.844 451 HE1 TYR 56 HE2 TYR 56 3.809 6.191 -5.566 452 HE2 TYR 56 HE1 TYR 56 7.116 8.820 -6.150 453 HH TYR 56 HH TYR 56 6.539 6.829 -7.473 454 H TYR 57 HN TYR 57 3.825 7.216 0.714 455 HA TYR 57 HA TYR 57 3.648 9.520 2.544 456 HB2 TYR 57 HB2 TYR 57 2.273 6.859 2.667 457 HB3 TYR 57 HB1 TYR 57 2.603 7.752 4.147 458 HD1 TYR 57 HD1 TYR 57 1.495 9.887 4.586 459 HD2 TYR 57 HD2 TYR 57 0.601 7.621 1.099 460 HE1 TYR 57 HE1 TYR 57 -0.537 11.227 4.247 461 HE2 TYR 57 HE2 TYR 57 -1.435 8.954 0.749 462 HH TYR 57 HH TYR 57 -2.052 11.847 2.430 463 H ALA 58 HN ALA 58 4.914 9.530 4.358 464 HA ALA 58 HA ALA 58 7.032 7.488 4.450 465 HB1 ALA 58 HB1 ALA 58 8.467 9.180 5.437 466 HB2 ALA 58 HB2 ALA 58 7.140 10.341 5.426 467 HB3 ALA 58 HB3 ALA 58 7.812 9.755 3.905 468 H LEU 59 HN LEU 59 6.286 6.030 5.900 469 HA LEU 59 HA LEU 59 4.903 6.776 8.293 470 HB2 LEU 59 HB2 LEU 59 6.000 4.201 7.215 471 HB3 LEU 59 HB1 LEU 59 5.328 4.295 8.832 472 HG LEU 59 HG LEU 59 3.707 5.255 6.508 473 HD11 LEU 59 HD11 LEU 59 3.879 2.378 7.382 474 HD12 LEU 59 HD12 LEU 59 4.567 3.026 5.892 475 HD13 LEU 59 HD13 LEU 59 2.821 3.051 6.140 476 HD21 LEU 59 HD21 LEU 59 2.990 3.924 9.114 477 HD22 LEU 59 HD22 LEU 59 1.861 4.575 7.924 478 HD23 LEU 59 HD23 LEU 59 2.941 5.659 8.800 479 H SER 60 HN SER 60 5.614 6.730 10.402 480 HA SER 60 HA SER 60 8.367 7.401 10.806 481 HB2 SER 60 HB2 SER 60 6.570 8.454 12.125 482 HB3 SER 60 HB1 SER 60 6.176 6.889 12.836 483 HG SER 60 HG SER 60 8.692 7.120 13.281 484 H ASP 61 HN ASP 61 6.687 4.511 10.613 485 HA ASP 61 HA ASP 61 8.276 3.009 12.491 486 HB2 ASP 61 HB1 ASP 61 7.085 1.046 11.473 487 HB3 ASP 61 HB2 ASP 61 6.016 2.279 12.135 488 H GLY 62 HN GLY 62 8.528 3.990 9.214 489 HA2 GLY 62 HA1 GLY 62 10.509 3.828 7.947 490 HA3 GLY 62 HA2 GLY 62 11.025 2.493 8.966 491 H GLY 63 HN GLY 63 7.875 2.750 7.422 492 HA2 GLY 63 HA1 GLY 63 8.592 0.396 5.791 493 HA3 GLY 63 HA2 GLY 63 6.987 0.695 6.436 494 H PHE 64 HN PHE 64 6.736 3.409 5.791 495 HA PHE 64 HA PHE 64 6.074 4.796 4.116 496 HB2 PHE 64 HB1 PHE 64 7.914 3.271 2.272 497 HB3 PHE 64 HB2 PHE 64 7.384 4.944 2.130 498 HD1 PHE 64 HD2 PHE 64 8.107 6.543 4.034 499 HD2 PHE 64 HD1 PHE 64 9.945 2.785 3.252 500 HE1 PHE 64 HE2 PHE 64 10.118 7.280 5.244 501 HE2 PHE 64 HE1 PHE 64 11.959 3.514 4.462 502 HZ PHE 64 HZ PHE 64 12.048 5.764 5.459 503 H TYR 65 HN TYR 65 4.151 4.719 3.149 504 HA TYR 65 HA TYR 65 3.496 2.371 1.512 505 HB2 TYR 65 HB2 TYR 65 1.503 1.930 2.585 506 HB3 TYR 65 HB1 TYR 65 2.496 2.447 3.942 507 HD1 TYR 65 HD1 TYR 65 2.159 4.691 4.945 508 HD2 TYR 65 HD2 TYR 65 -0.383 3.203 1.870 509 HE1 TYR 65 HE1 TYR 65 0.490 6.408 5.498 510 HE2 TYR 65 HE2 TYR 65 -2.055 4.920 2.417 511 HH TYR 65 HH TYR 65 -2.690 6.329 4.328 512 H MET 66 HN MET 66 1.546 2.748 0.130 513 HA MET 66 HA MET 66 1.421 5.559 -0.754 514 HB2 MET 66 HB1 MET 66 1.363 3.040 -2.425 515 HB3 MET 66 HB2 MET 66 1.046 4.651 -3.053 516 HG2 MET 66 HG2 MET 66 3.263 5.343 -2.682 517 HG3 MET 66 HG1 MET 66 3.613 3.941 -1.674 518 HE1 MET 66 HE1 MET 66 2.762 3.495 -6.189 519 HE2 MET 66 HE2 MET 66 2.727 5.071 -5.398 520 HE3 MET 66 HE3 MET 66 1.544 3.837 -4.961 521 H ALA 67 HN ALA 67 -0.575 6.415 -1.230 522 HA ALA 67 HA ALA 67 -2.899 4.627 -1.159 523 HB1 ALA 67 HB1 ALA 67 -4.085 6.128 0.371 524 HB2 ALA 67 HB2 ALA 67 -2.629 7.111 0.529 525 HB3 ALA 67 HB3 ALA 67 -2.639 5.447 1.115 526 HA PRO 68 HA PRO 68 -3.881 7.092 -4.756 527 HB2 PRO 68 HB2 PRO 68 -6.577 5.929 -4.379 528 HB3 PRO 68 HB1 PRO 68 -5.510 5.861 -5.783 529 HG2 PRO 68 HG1 PRO 68 -5.904 3.715 -4.237 530 HG3 PRO 68 HG2 PRO 68 -4.320 4.057 -4.956 531 HD2 PRO 68 HD2 PRO 68 -5.264 4.496 -2.151 532 HD3 PRO 68 HD1 PRO 68 -3.690 3.913 -2.733 533 H ASP 69 HN ASP 69 -5.611 8.692 -5.371 534 HA ASP 69 HA ASP 69 -6.538 10.095 -2.955 535 HB2 ASP 69 HB2 ASP 69 -4.806 11.252 -4.318 536 HB3 ASP 69 HB1 ASP 69 -5.940 11.282 -5.668 537 H LEU 70 HN LEU 70 -8.561 9.134 -2.795 538 HA LEU 70 HA LEU 70 -10.505 10.054 -4.796 539 HB2 LEU 70 HB1 LEU 70 -10.457 7.313 -3.527 540 HB3 LEU 70 HB2 LEU 70 -11.788 7.946 -4.471 541 HG LEU 70 HG LEU 70 -10.613 6.501 -5.907 542 HD11 LEU 70 HD21 LEU 70 -9.704 9.310 -6.507 543 HD12 LEU 70 HD22 LEU 70 -11.241 8.584 -6.976 544 HD13 LEU 70 HD23 LEU 70 -9.734 7.972 -7.655 545 HD21 LEU 70 HD11 LEU 70 -8.240 6.516 -6.254 546 HD22 LEU 70 HD12 LEU 70 -8.569 6.359 -4.529 547 HD23 LEU 70 HD13 LEU 70 -8.051 7.909 -5.190 548 H ALA 71 HN ALA 71 -11.680 11.525 -3.713 549 HA ALA 71 HA ALA 71 -12.194 11.151 -0.868 550 HB1 ALA 71 HB1 ALA 71 -13.002 13.438 -0.894 551 HB2 ALA 71 HB2 ALA 71 -12.877 13.485 -2.652 552 HB3 ALA 71 HB3 ALA 71 -11.420 13.341 -1.668 553 H GLY 72 HN GLY 72 -13.890 9.931 -0.349 554 HA2 GLY 72 HA2 GLY 72 -16.442 10.352 -0.350 555 HA3 GLY 72 HA1 GLY 72 -16.276 10.015 -2.067 556 H ARG 73 HN ARG 73 -17.726 8.257 -1.815 557 HA ARG 73 HA ARG 73 -16.596 5.928 -0.428 558 HB2 ARG 73 HB2 ARG 73 -18.956 5.038 -0.521 559 HB3 ARG 73 HB1 ARG 73 -18.720 6.437 0.517 560 HG2 ARG 73 HG1 ARG 73 -19.620 7.885 -1.241 561 HG3 ARG 73 HG2 ARG 73 -19.875 6.470 -2.264 562 HD2 ARG 73 HD2 ARG 73 -21.446 5.553 -0.681 563 HD3 ARG 73 HD1 ARG 73 -21.120 6.864 0.452 564 HE ARG 73 HE ARG 73 -21.988 7.976 -1.965 565 HH11 ARG 73 HH11 ARG 73 -23.214 6.035 0.656 566 HH12 ARG 73 HH12 ARG 73 -24.841 6.603 0.488 567 HH21 ARG 73 HH21 ARG 73 -24.127 8.733 -2.193 568 HH22 ARG 73 HH22 ARG 73 -25.360 8.137 -1.131 569 H LEU 74 HN LEU 74 -15.631 4.580 -1.743 570 HA LEU 74 HA LEU 74 -16.665 4.255 -4.481 571 HB2 LEU 74 HB2 LEU 74 -13.880 3.599 -3.539 572 HB3 LEU 74 HB1 LEU 74 -14.458 3.664 -5.192 573 HG LEU 74 HG LEU 74 -14.953 6.195 -4.519 574 HD11 LEU 74 HD11 LEU 74 -12.621 5.420 -2.771 575 HD12 LEU 74 HD12 LEU 74 -14.212 5.938 -2.210 576 HD13 LEU 74 HD13 LEU 74 -13.176 7.064 -3.088 577 HD21 LEU 74 HD21 LEU 74 -12.238 5.123 -5.275 578 HD22 LEU 74 HD22 LEU 74 -12.802 6.777 -5.517 579 HD23 LEU 74 HD23 LEU 74 -13.570 5.448 -6.385 580 H GLU 75 HN GLU 75 -17.495 2.345 -5.020 581 HA GLU 75 HA GLU 75 -17.691 0.222 -3.155 582 HB2 GLU 75 HB1 GLU 75 -18.235 0.242 -6.132 583 HB3 GLU 75 HB2 GLU 75 -18.717 -1.036 -5.027 584 HG2 GLU 75 HG1 GLU 75 -19.637 1.821 -4.833 585 HG3 GLU 75 HG2 GLU 75 -20.540 0.526 -5.618 586 H ILE 76 HN ILE 76 -15.889 -0.822 -2.542 587 HA ILE 76 HA ILE 76 -14.089 -1.794 -4.659 588 HB ILE 76 HB ILE 76 -13.530 -0.749 -1.925 589 HG12 ILE 76 HG12 ILE 76 -13.210 0.459 -4.187 590 HG13 ILE 76 HG11 ILE 76 -11.899 0.537 -3.014 591 HG21 ILE 76 HG21 ILE 76 -11.972 -2.928 -3.278 592 HG22 ILE 76 HG22 ILE 76 -12.571 -2.870 -1.620 593 HG23 ILE 76 HG23 ILE 76 -11.232 -1.832 -2.111 594 HD11 ILE 76 HD11 ILE 76 -11.173 0.146 -5.352 595 HD12 ILE 76 HD12 ILE 76 -12.005 -1.409 -5.303 596 HD13 ILE 76 HD13 ILE 76 -10.649 -1.099 -4.220 597 H GLU 77 HN GLU 77 -14.674 -3.812 -5.075 598 HA GLU 77 HA GLU 77 -15.493 -5.620 -2.972 599 HB2 GLU 77 HB2 GLU 77 -15.708 -7.286 -4.831 600 HB3 GLU 77 HB1 GLU 77 -16.679 -5.837 -5.042 601 HG2 GLU 77 HG1 GLU 77 -15.011 -4.949 -6.594 602 HG3 GLU 77 HG2 GLU 77 -14.054 -6.416 -6.392 603 H VAL 78 HN VAL 78 -13.912 -6.245 -1.679 604 HA VAL 78 HA VAL 78 -11.219 -6.637 -2.552 605 HB VAL 78 HB VAL 78 -12.437 -7.451 0.083 606 HG11 VAL 78 HG11 VAL 78 -10.190 -7.048 0.929 607 HG12 VAL 78 HG12 VAL 78 -9.651 -6.640 -0.699 608 HG13 VAL 78 HG13 VAL 78 -10.197 -8.276 -0.335 609 HG21 VAL 78 HG21 VAL 78 -11.356 -4.749 -0.717 610 HG22 VAL 78 HG22 VAL 78 -11.834 -5.225 0.913 611 HG23 VAL 78 HG23 VAL 78 -13.041 -5.133 -0.370 612 H ASN 79 HN ASN 79 -11.164 -8.364 -4.054 613 HA ASN 79 HA ASN 79 -12.493 -10.821 -3.609 614 HB2 ASN 79 HB1 ASN 79 -11.189 -11.655 -5.472 615 HB3 ASN 79 HB2 ASN 79 -11.723 -10.015 -5.833 616 HD21 ASN 79 HD21 ASN 79 -10.206 -8.313 -5.715 617 HD22 ASN 79 HD22 ASN 79 -8.514 -8.619 -5.871 618 H GLY 80 HN GLY 80 -9.274 -9.640 -2.833 619 HA2 GLY 80 HA2 GLY 80 -7.825 -11.801 -2.172 620 HA3 GLY 80 HA1 GLY 80 -7.833 -10.363 -1.167 621 H ASN 81 HN ASN 81 -10.734 -10.843 -0.542 622 HA ASN 81 HA ASN 81 -10.700 -13.315 0.954 623 HB2 ASN 81 HB2 ASN 81 -10.836 -12.427 3.109 624 HB3 ASN 81 HB1 ASN 81 -9.556 -11.485 2.356 625 HD21 ASN 81 HD21 ASN 81 -9.907 -9.336 1.873 626 HD22 ASN 81 HD22 ASN 81 -11.243 -8.451 2.513 627 H GLY 82 HN GLY 82 -12.271 -11.508 -1.084 628 HA2 GLY 82 HA1 GLY 82 -14.456 -11.409 -1.744 629 HA3 GLY 82 HA2 GLY 82 -14.806 -12.605 -0.507 630 H PHE 83 HN PHE 83 -13.320 -9.708 0.616 631 HA PHE 83 HA PHE 83 -15.689 -9.062 2.097 632 HB2 PHE 83 HB2 PHE 83 -13.511 -8.794 3.148 633 HB3 PHE 83 HB1 PHE 83 -13.033 -7.628 1.918 634 HD1 PHE 83 HD2 PHE 83 -15.916 -8.122 4.241 635 HD2 PHE 83 HD1 PHE 83 -13.047 -5.444 2.595 636 HE1 PHE 83 HE2 PHE 83 -16.832 -6.300 5.619 637 HE2 PHE 83 HE1 PHE 83 -13.958 -3.617 3.969 638 HZ PHE 83 HZ PHE 83 -15.853 -4.044 5.484 639 H ARG 84 HN ARG 84 -17.245 -8.446 0.633 640 HA ARG 84 HA ARG 84 -16.751 -6.343 -1.270 641 HB2 ARG 84 HB2 ARG 84 -18.405 -8.181 -1.656 642 HB3 ARG 84 HB1 ARG 84 -19.396 -7.507 -0.369 643 HG2 ARG 84 HG1 ARG 84 -19.628 -5.429 -1.647 644 HG3 ARG 84 HG2 ARG 84 -18.660 -6.131 -2.944 645 HD2 ARG 84 HD2 ARG 84 -20.969 -6.347 -3.534 646 HD3 ARG 84 HD1 ARG 84 -20.347 -7.948 -3.136 647 HE ARG 84 HE ARG 84 -21.605 -6.592 -0.930 648 HH11 ARG 84 HH11 ARG 84 -22.083 -8.686 -3.674 649 HH12 ARG 84 HH12 ARG 84 -23.548 -9.373 -3.057 650 HH21 ARG 84 HH21 ARG 84 -23.534 -7.491 -0.112 651 HH22 ARG 84 HH22 ARG 84 -24.373 -8.693 -1.032 652 H GLY 85 HN GLY 85 -16.338 -4.375 -0.431 653 HA2 GLY 85 HA2 GLY 85 -18.412 -3.098 1.120 654 HA3 GLY 85 HA1 GLY 85 -16.937 -3.368 2.031 655 H GLU 86 HN GLU 86 -18.521 -1.018 0.654 656 HA GLU 86 HA GLU 86 -16.621 0.207 -1.068 657 HB2 GLU 86 HB1 GLU 86 -17.994 2.251 -0.740 658 HB3 GLU 86 HB2 GLU 86 -18.951 0.848 -1.194 659 HG2 GLU 86 HG2 GLU 86 -19.584 0.537 1.156 660 HG3 GLU 86 HG1 GLU 86 -18.659 1.978 1.580 661 H LEU 87 HN LEU 87 -14.905 1.470 -0.608 662 HA LEU 87 HA LEU 87 -14.605 2.556 2.086 663 HB2 LEU 87 HB1 LEU 87 -13.568 0.232 1.918 664 HB3 LEU 87 HB2 LEU 87 -12.390 0.947 0.836 665 HG LEU 87 HG LEU 87 -11.632 2.442 2.616 666 HD11 LEU 87 HD11 LEU 87 -12.453 2.174 4.901 667 HD12 LEU 87 HD12 LEU 87 -13.650 1.007 4.338 668 HD13 LEU 87 HD13 LEU 87 -13.744 2.688 3.815 669 HD21 LEU 87 HD21 LEU 87 -10.579 0.252 2.358 670 HD22 LEU 87 HD22 LEU 87 -11.749 -0.445 3.479 671 HD23 LEU 87 HD23 LEU 87 -10.596 0.763 4.047 672 H SER 88 HN SER 88 -12.905 4.156 2.258 673 HA SER 88 HA SER 88 -12.733 5.766 -0.119 674 HB2 SER 88 HB1 SER 88 -11.573 7.388 1.339 675 HB3 SER 88 HB2 SER 88 -13.081 6.826 2.062 676 HG SER 88 HG SER 88 -11.843 5.390 3.339 677 H ALA 89 HN ALA 89 -10.503 6.854 -0.537 678 HA ALA 89 HA ALA 89 -8.710 4.738 -1.299 679 HB1 ALA 89 HB1 ALA 89 -9.020 6.475 -2.881 680 HB2 ALA 89 HB2 ALA 89 -7.372 6.630 -2.273 681 HB3 ALA 89 HB3 ALA 89 -8.632 7.716 -1.690 682 H ASP 90 HN ASP 90 -9.105 6.439 1.518 683 HA ASP 90 HA ASP 90 -6.266 6.617 2.165 684 HB2 ASP 90 HB2 ASP 90 -7.972 8.416 2.771 685 HB3 ASP 90 HB1 ASP 90 -8.587 7.287 3.972 686 H ALA 91 HN ALA 91 -9.029 4.633 2.691 687 HA ALA 91 HA ALA 91 -7.590 3.080 4.735 688 HB1 ALA 91 HB1 ALA 91 -9.774 3.871 5.456 689 HB2 ALA 91 HB2 ALA 91 -9.764 2.111 5.322 690 HB3 ALA 91 HB3 ALA 91 -10.532 3.088 4.070 691 H ALA 92 HN ALA 92 -8.440 3.081 1.466 692 HA ALA 92 HA ALA 92 -8.399 0.159 1.271 693 HB1 ALA 92 HB1 ALA 92 -9.074 0.500 -1.066 694 HB2 ALA 92 HB2 ALA 92 -9.007 2.246 -0.823 695 HB3 ALA 92 HB3 ALA 92 -10.188 1.279 0.059 696 H GLY 93 HN GLY 93 -6.638 3.054 0.315 697 HA2 GLY 93 HA2 GLY 93 -4.760 1.881 -1.400 698 HA3 GLY 93 HA1 GLY 93 -4.485 3.333 -0.445 699 H ILE 94 HN ILE 94 -5.156 1.672 1.994 700 HA ILE 94 HA ILE 94 -2.490 1.009 2.725 701 HB ILE 94 HB ILE 94 -4.865 -0.080 4.197 702 HG12 ILE 94 HG12 ILE 94 -5.524 2.201 3.670 703 HG13 ILE 94 HG11 ILE 94 -5.094 2.090 5.373 704 HG21 ILE 94 HG21 ILE 94 -2.660 -0.640 5.019 705 HG22 ILE 94 HG22 ILE 94 -3.472 0.438 6.153 706 HG23 ILE 94 HG23 ILE 94 -2.222 1.067 5.078 707 HD11 ILE 94 HD11 ILE 94 -4.248 4.130 4.384 708 HD12 ILE 94 HD12 ILE 94 -3.356 3.196 3.184 709 HD13 ILE 94 HD13 ILE 94 -2.922 3.083 4.890 710 H VAL 95 HN VAL 95 -5.251 -0.794 1.576 711 HA VAL 95 HA VAL 95 -4.095 -3.384 2.019 712 HB VAL 95 HB VAL 95 -6.472 -2.598 0.327 713 HG11 VAL 95 HG11 VAL 95 -5.656 -5.274 1.448 714 HG12 VAL 95 HG12 VAL 95 -5.600 -4.796 -0.248 715 HG13 VAL 95 HG13 VAL 95 -7.151 -4.935 0.579 716 HG21 VAL 95 HG21 VAL 95 -7.826 -3.243 2.258 717 HG22 VAL 95 HG22 VAL 95 -6.748 -1.903 2.647 718 HG23 VAL 95 HG23 VAL 95 -6.358 -3.533 3.192 719 H ALA 96 HN ALA 96 -4.337 -1.106 -0.644 720 HA ALA 96 HA ALA 96 -3.586 -2.852 -2.726 721 HB1 ALA 96 HB1 ALA 96 -3.177 0.130 -2.538 722 HB2 ALA 96 HB2 ALA 96 -4.642 -0.673 -3.103 723 HB3 ALA 96 HB3 ALA 96 -3.140 -0.838 -4.011 724 H THR 97 HN THR 97 -1.670 -0.670 -0.676 725 HA THR 97 HA THR 97 0.809 -1.302 -1.935 726 HB THR 97 HB THR 97 0.644 0.805 -0.812 727 HG1 THR 97 HG1 THR 97 2.320 0.038 1.056 728 HG21 THR 97 HG21 THR 97 0.129 -0.750 1.726 729 HG22 THR 97 HG22 THR 97 -1.062 0.204 0.842 730 HG23 THR 97 HG23 THR 97 0.316 0.999 1.604 731 H LEU 98 HN LEU 98 -0.775 -2.381 1.054 732 HA LEU 98 HA LEU 98 1.249 -3.932 2.124 733 HB2 LEU 98 HB2 LEU 98 -1.735 -4.155 2.205 734 HB3 LEU 98 HB1 LEU 98 -0.745 -5.394 2.951 735 HG LEU 98 HG LEU 98 -0.612 -2.459 3.651 736 HD11 LEU 98 HD21 LEU 98 -1.981 -4.733 5.080 737 HD12 LEU 98 HD22 LEU 98 -2.775 -3.385 4.266 738 HD13 LEU 98 HD23 LEU 98 -1.792 -3.094 5.701 739 HD21 LEU 98 HD11 LEU 98 1.463 -3.655 4.077 740 HD22 LEU 98 HD12 LEU 98 0.582 -4.895 4.967 741 HD23 LEU 98 HD13 LEU 98 0.657 -3.249 5.592 742 H PHE 99 HN PHE 99 -1.315 -5.018 -0.109 743 HA PHE 99 HA PHE 99 -0.455 -7.658 -0.368 744 HB2 PHE 99 HB1 PHE 99 -2.151 -5.828 -1.985 745 HB3 PHE 99 HB2 PHE 99 -1.564 -7.289 -2.774 746 HD1 PHE 99 HD1 PHE 99 -2.196 -9.499 -1.922 747 HD2 PHE 99 HD2 PHE 99 -3.832 -5.921 -0.294 748 HE1 PHE 99 HE1 PHE 99 -4.000 -10.805 -0.877 749 HE2 PHE 99 HE2 PHE 99 -5.637 -7.224 0.755 750 HZ PHE 99 HZ PHE 99 -5.723 -9.667 0.464 751 H ALA 100 HN ALA 100 0.638 -4.740 -1.971 752 HA ALA 100 HA ALA 100 2.105 -5.948 -4.048 753 HB1 ALA 100 HB1 ALA 100 1.515 -3.578 -4.047 754 HB2 ALA 100 HB2 ALA 100 3.254 -3.804 -4.241 755 HB3 ALA 100 HB3 ALA 100 2.598 -3.305 -2.681 756 H LEU 101 HN LEU 101 3.048 -4.935 -0.781 757 HA LEU 101 HA LEU 101 5.772 -5.500 -0.941 758 HB2 LEU 101 HB2 LEU 101 3.917 -5.710 1.430 759 HB3 LEU 101 HB1 LEU 101 5.666 -5.745 1.532 760 HG LEU 101 HG LEU 101 4.061 -3.416 0.476 761 HD11 LEU 101 HD21 LEU 101 3.647 -3.743 2.848 762 HD12 LEU 101 HD22 LEU 101 4.652 -2.317 2.584 763 HD13 LEU 101 HD23 LEU 101 5.383 -3.817 3.156 764 HD21 LEU 101 HD11 LEU 101 6.167 -2.200 0.635 765 HD22 LEU 101 HD12 LEU 101 6.312 -3.574 -0.460 766 HD23 LEU 101 HD13 LEU 101 6.984 -3.668 1.168 767 H GLY 102 HN GLY 102 3.051 -7.605 -0.124 768 HA2 GLY 102 HA2 GLY 102 4.606 -9.864 0.589 769 HA3 GLY 102 HA1 GLY 102 2.908 -9.883 0.142 770 H GLN 103 HN GLN 103 3.518 -8.634 -2.494 771 HA GLN 103 HA GLN 103 3.997 -11.090 -3.907 772 HB2 GLN 103 HB1 GLN 103 2.336 -9.573 -4.772 773 HB3 GLN 103 HB2 GLN 103 3.512 -8.270 -4.874 774 HG2 GLN 103 HG2 GLN 103 4.725 -9.471 -6.601 775 HG3 GLN 103 HG1 GLN 103 3.593 -10.817 -6.478 776 HE21 GLN 103 HE22 GLN 103 1.273 -9.119 -6.149 777 HE22 GLN 103 HE21 GLN 103 0.948 -8.426 -7.697 778 H LEU 104 HN LEU 104 5.684 -7.966 -3.657 779 HA LEU 104 HA LEU 104 7.799 -8.546 -5.371 780 HB2 LEU 104 HB1 LEU 104 7.212 -6.308 -4.466 781 HB3 LEU 104 HB2 LEU 104 7.844 -6.805 -2.908 782 HG LEU 104 HG LEU 104 10.069 -7.100 -3.936 783 HD11 LEU 104 HD11 LEU 104 10.484 -6.215 -6.173 784 HD12 LEU 104 HD12 LEU 104 8.759 -5.907 -6.372 785 HD13 LEU 104 HD13 LEU 104 9.346 -7.562 -6.217 786 HD21 LEU 104 HD21 LEU 104 9.513 -5.015 -2.820 787 HD22 LEU 104 HD22 LEU 104 8.825 -4.383 -4.316 788 HD23 LEU 104 HD23 LEU 104 10.555 -4.712 -4.212 789 H ALA 105 HN ALA 105 7.468 -9.029 -1.877 790 HA ALA 105 HA ALA 105 10.050 -9.986 -1.370 791 HB1 ALA 105 HB1 ALA 105 8.500 -9.304 0.397 792 HB2 ALA 105 HB2 ALA 105 9.122 -10.931 0.677 793 HB3 ALA 105 HB3 ALA 105 7.488 -10.707 0.051 794 H ALA 106 HN ALA 106 7.158 -11.590 -2.547 795 HA ALA 106 HA ALA 106 8.214 -14.242 -2.325 796 HB1 ALA 106 HB1 ALA 106 5.806 -13.802 -2.266 797 HB2 ALA 106 HB2 ALA 106 6.230 -14.922 -3.562 798 HB3 ALA 106 HB3 ALA 106 5.870 -13.236 -3.935 799 H GLU 107 HN GLU 107 8.261 -11.738 -4.750 800 HA GLU 107 HA GLU 107 8.897 -13.354 -6.983 801 HB2 GLU 107 HB2 GLU 107 8.074 -11.040 -7.182 802 HB3 GLU 107 HB1 GLU 107 9.568 -10.449 -6.467 803 HG2 GLU 107 HG1 GLU 107 9.575 -10.182 -8.880 804 HG3 GLU 107 HG2 GLU 107 10.832 -11.305 -8.360 805 H ILE 108 HN ILE 108 10.706 -12.333 -4.269 806 HA ILE 108 HA ILE 108 13.161 -13.390 -5.504 807 HB ILE 108 HB ILE 108 14.457 -11.789 -4.088 808 HG12 ILE 108 HG12 ILE 108 11.783 -10.406 -3.767 809 HG13 ILE 108 HG11 ILE 108 12.599 -11.306 -2.492 810 HG21 ILE 108 HG21 ILE 108 14.130 -11.391 -6.463 811 HG22 ILE 108 HG22 ILE 108 14.119 -9.868 -5.574 812 HG23 ILE 108 HG23 ILE 108 12.602 -10.574 -6.132 813 HD11 ILE 108 HD11 ILE 108 14.447 -9.741 -2.538 814 HD12 ILE 108 HD12 ILE 108 12.920 -8.898 -2.272 815 HD13 ILE 108 HD13 ILE 108 13.685 -8.858 -3.860 816 H ALA 109 HN ALA 109 11.115 -14.657 -3.817 817 HA ALA 109 HA ALA 109 11.966 -14.909 -1.152 818 HB1 ALA 109 HB1 ALA 109 9.749 -15.600 -1.924 819 HB2 ALA 109 HB2 ALA 109 10.576 -16.906 -1.076 820 HB3 ALA 109 HB3 ALA 109 10.479 -16.920 -2.837 821 H ASP 110 HN ASP 110 13.528 -15.865 -3.941 822 HA ASP 110 HA ASP 110 14.806 -18.201 -2.749 823 HB2 ASP 110 HB1 ASP 110 15.143 -16.952 -5.484 824 HB3 ASP 110 HB2 ASP 110 15.898 -18.451 -4.950 825 H THR 111 HN THR 111 15.188 -15.134 -2.162 826 HA THR 111 HA THR 111 18.115 -15.329 -1.978 827 HB THR 111 HB THR 111 18.322 -12.916 -2.452 828 HG1 THR 111 HG1 THR 111 16.592 -11.712 -2.693 829 HG21 THR 111 HG21 THR 111 16.943 -14.488 -4.632 830 HG22 THR 111 HG22 THR 111 18.668 -14.509 -4.267 831 HG23 THR 111 HG23 THR 111 17.913 -13.035 -4.874 832 H ASP 112 HN ASP 112 18.827 -13.243 -0.582 833 HA ASP 112 HA ASP 112 17.513 -13.632 1.982 834 HB2 ASP 112 HB1 ASP 112 20.021 -13.685 1.669 835 HB3 ASP 112 HB2 ASP 112 19.948 -11.950 1.384 836 H ALA 113 HN ALA 113 17.204 -11.570 -0.578 837 HA ALA 113 HA ALA 113 16.634 -9.168 0.960 838 HB1 ALA 113 HB1 ALA 113 16.252 -8.103 -1.188 839 HB2 ALA 113 HB2 ALA 113 16.355 -9.663 -2.003 840 HB3 ALA 113 HB3 ALA 113 17.777 -8.987 -1.207 841 H ALA 114 HN ALA 114 15.012 -11.911 0.578 842 HA ALA 114 HA ALA 114 12.411 -10.823 -0.119 843 HB1 ALA 114 HB1 ALA 114 11.611 -13.111 0.106 844 HB2 ALA 114 HB2 ALA 114 13.177 -13.606 0.751 845 HB3 ALA 114 HB3 ALA 114 13.046 -13.047 -0.917 846 H ASP 115 HN ASP 115 14.278 -11.052 2.647 847 HA ASP 115 HA ASP 115 11.905 -11.026 4.385 848 HB2 ASP 115 HB2 ASP 115 13.350 -11.762 6.204 849 HB3 ASP 115 HB1 ASP 115 13.478 -12.874 4.845 850 H ALA 116 HN ALA 116 14.289 -9.094 3.033 851 HA ALA 116 HA ALA 116 14.630 -7.290 5.251 852 HB1 ALA 116 HB1 ALA 116 15.386 -6.971 2.347 853 HB2 ALA 116 HB2 ALA 116 16.423 -7.613 3.621 854 HB3 ALA 116 HB3 ALA 116 15.902 -5.928 3.673 855 H LEU 117 HN LEU 117 13.025 -7.117 2.068 856 HA LEU 117 HA LEU 117 11.845 -4.590 2.547 857 HB2 LEU 117 HB2 LEU 117 10.689 -4.871 0.523 858 HB3 LEU 117 HB1 LEU 117 12.216 -5.692 0.295 859 HG LEU 117 HG LEU 117 10.652 -7.091 -0.718 860 HD11 LEU 117 HD11 LEU 117 12.165 -8.283 0.828 861 HD12 LEU 117 HD12 LEU 117 10.635 -9.119 0.560 862 HD13 LEU 117 HD13 LEU 117 10.901 -8.226 2.056 863 HD21 LEU 117 HD21 LEU 117 8.538 -7.784 0.320 864 HD22 LEU 117 HD22 LEU 117 8.629 -6.041 0.073 865 HD23 LEU 117 HD23 LEU 117 8.874 -6.716 1.683 866 H ILE 118 HN ILE 118 11.162 -7.682 3.711 867 HA ILE 118 HA ILE 118 8.357 -7.523 4.028 868 HB ILE 118 HB ILE 118 10.510 -9.168 5.320 869 HG12 ILE 118 HG12 ILE 118 9.720 -9.790 3.086 870 HG13 ILE 118 HG11 ILE 118 9.278 -11.014 4.273 871 HG21 ILE 118 HG21 ILE 118 8.837 -10.352 6.645 872 HG22 ILE 118 HG22 ILE 118 7.594 -9.223 6.102 873 HG23 ILE 118 HG23 ILE 118 8.922 -8.652 7.112 874 HD11 ILE 118 HD11 ILE 118 7.451 -8.908 3.143 875 HD12 ILE 118 HD12 ILE 118 7.006 -10.121 4.343 876 HD13 ILE 118 HD13 ILE 118 7.468 -10.618 2.715 877 H ASP 119 HN ASP 119 11.070 -6.321 5.848 878 HA ASP 119 HA ASP 119 9.951 -5.815 8.322 879 HB2 ASP 119 HB2 ASP 119 12.330 -5.211 7.076 880 HB3 ASP 119 HB1 ASP 119 11.620 -3.620 7.323 881 H ARG 120 HN ARG 120 9.666 -3.995 5.318 882 HA ARG 120 HA ARG 120 8.376 -1.725 6.376 883 HB2 ARG 120 HB2 ARG 120 8.339 -2.949 3.616 884 HB3 ARG 120 HB1 ARG 120 7.553 -1.424 4.000 885 HG2 ARG 120 HG2 ARG 120 9.655 -0.914 3.034 886 HG3 ARG 120 HG1 ARG 120 9.777 -0.565 4.759 887 HD2 ARG 120 HD2 ARG 120 10.911 -2.687 5.125 888 HD3 ARG 120 HD1 ARG 120 10.753 -3.081 3.414 889 HE ARG 120 HE ARG 120 12.127 -0.901 3.149 890 HH11 ARG 120 HH11 ARG 120 12.473 -3.261 5.690 891 HH12 ARG 120 HH12 ARG 120 14.159 -2.947 5.930 892 HH21 ARG 120 HH21 ARG 120 14.348 -0.482 3.457 893 HH22 ARG 120 HH22 ARG 120 15.225 -1.367 4.660 894 H TYR 121 HN TYR 121 7.164 -4.824 5.234 895 HA TYR 121 HA TYR 121 4.408 -4.105 5.314 896 HB2 TYR 121 HB2 TYR 121 5.301 -5.986 3.961 897 HB3 TYR 121 HB1 TYR 121 5.656 -6.858 5.449 898 HD1 TYR 121 HD1 TYR 121 3.777 -7.623 6.904 899 HD2 TYR 121 HD2 TYR 121 3.110 -5.956 3.048 900 HE1 TYR 121 HE1 TYR 121 1.513 -8.583 6.888 901 HE2 TYR 121 HE2 TYR 121 0.843 -6.910 3.022 902 HH TYR 121 HH TYR 121 -0.644 -8.195 5.794 903 H HIS 122 HN HIS 122 6.631 -5.631 7.583 904 HA HIS 122 HA HIS 122 4.744 -6.402 9.519 905 HB2 HIS 122 HB1 HIS 122 7.486 -6.625 9.213 906 HB3 HIS 122 HB2 HIS 122 7.323 -5.578 10.619 907 HD1 HIS 122 HD1 HIS 122 6.654 -6.657 12.794 908 HD2 HIS 122 HD2 HIS 122 6.287 -9.218 9.541 909 HE1 HIS 122 HE1 HIS 122 6.184 -8.926 13.773 910 HE2 HIS 122 HE2 HIS 122 5.997 -10.466 11.789 911 H PHE 123 HN PHE 123 6.088 -3.330 8.712 912 HA PHE 123 HA PHE 123 5.223 -2.130 11.225 913 HB2 PHE 123 HB1 PHE 123 6.747 -1.085 8.847 914 HB3 PHE 123 HB2 PHE 123 6.130 -0.011 10.098 915 HD1 PHE 123 HD2 PHE 123 6.633 -1.349 12.567 916 HD2 PHE 123 HD1 PHE 123 9.022 -1.257 9.047 917 HE1 PHE 123 HE2 PHE 123 8.641 -1.770 13.925 918 HE2 PHE 123 HE1 PHE 123 11.034 -1.679 10.398 919 HZ PHE 123 HZ PHE 123 10.846 -1.935 12.840 920 H LEU 124 HN LEU 124 4.607 -1.741 7.741 921 HA LEU 124 HA LEU 124 2.642 0.182 7.805 922 HB2 LEU 124 HB1 LEU 124 3.762 -1.138 5.836 923 HB3 LEU 124 HB2 LEU 124 2.360 -2.177 5.984 924 HG LEU 124 HG LEU 124 2.246 0.795 5.453 925 HD11 LEU 124 HD11 LEU 124 1.900 -1.539 3.576 926 HD12 LEU 124 HD12 LEU 124 3.240 -0.392 3.580 927 HD13 LEU 124 HD13 LEU 124 1.612 0.155 3.176 928 HD21 LEU 124 HD21 LEU 124 0.089 -1.310 5.354 929 HD22 LEU 124 HD22 LEU 124 -0.098 0.397 4.950 930 HD23 LEU 124 HD23 LEU 124 0.271 -0.082 6.607 931 H ARG 125 HN ARG 125 2.128 -3.340 7.828 932 HA ARG 125 HA ARG 125 -0.574 -3.463 8.157 933 HB2 ARG 125 HB2 ARG 125 0.858 -5.444 7.931 934 HB3 ARG 125 HB1 ARG 125 1.467 -5.197 9.562 935 HG2 ARG 125 HG2 ARG 125 -0.814 -5.532 10.434 936 HG3 ARG 125 HG1 ARG 125 -1.366 -5.865 8.791 937 HD2 ARG 125 HD2 ARG 125 0.179 -7.759 8.659 938 HD3 ARG 125 HD1 ARG 125 0.721 -7.429 10.304 939 HE ARG 125 HE ARG 125 -2.111 -7.826 10.109 940 HH11 ARG 125 HH11 ARG 125 0.973 -9.425 10.396 941 HH12 ARG 125 HH12 ARG 125 0.311 -10.848 11.127 942 HH21 ARG 125 HH21 ARG 125 -2.990 -9.696 11.073 943 HH22 ARG 125 HH22 ARG 125 -1.942 -11.003 11.512 944 H GLY 126 HN GLY 126 1.845 -2.882 10.685 945 HA2 GLY 126 HA2 GLY 126 0.038 -2.890 12.860 946 HA3 GLY 126 HA1 GLY 126 1.634 -2.155 12.851 947 H PHE 127 HN PHE 127 0.979 -0.381 10.586 948 HA PHE 127 HA PHE 127 -0.078 1.790 12.102 949 HB2 PHE 127 HB1 PHE 127 1.618 2.242 10.464 950 HB3 PHE 127 HB2 PHE 127 0.666 1.493 9.189 951 HD1 PHE 127 HD2 PHE 127 0.847 4.406 11.454 952 HD2 PHE 127 HD1 PHE 127 -0.925 2.720 7.971 953 HE1 PHE 127 HE2 PHE 127 -0.116 6.598 10.885 954 HE2 PHE 127 HE1 PHE 127 -1.887 4.909 7.396 955 HZ PHE 127 HZ PHE 127 -1.485 6.852 8.854 956 H ALA 128 HN ALA 128 -1.356 -0.422 9.713 957 HA ALA 128 HA ALA 128 -3.694 0.974 9.028 958 HB1 ALA 128 HB1 ALA 128 -4.532 -1.209 8.263 959 HB2 ALA 128 HB2 ALA 128 -3.165 -1.994 9.055 960 HB3 ALA 128 HB3 ALA 128 -2.890 -0.888 7.709 961 H ALA 129 HN ALA 129 -2.845 -0.827 11.860 962 HA ALA 129 HA ALA 129 -5.494 -1.426 12.722 963 HB1 ALA 129 HB1 ALA 129 -2.958 -1.239 14.343 964 HB2 ALA 129 HB2 ALA 129 -3.542 -2.679 13.511 965 HB3 ALA 129 HB3 ALA 129 -4.466 -2.000 14.851 966 H GLY 130 HN GLY 130 -3.466 1.373 12.899 967 HA2 GLY 130 HA1 GLY 130 -4.956 2.598 15.062 968 HA3 GLY 130 HA2 GLY 130 -3.654 3.336 14.142 969 H HIS 131 HN HIS 131 -5.458 2.220 11.765 970 HA HIS 131 HA HIS 131 -6.630 4.766 11.195 971 HB2 HIS 131 HB2 HIS 131 -6.286 2.187 9.789 972 HB3 HIS 131 HB1 HIS 131 -7.686 3.139 9.300 973 HD1 HIS 131 HD1 HIS 131 -6.955 5.806 8.797 974 HD2 HIS 131 HD2 HIS 131 -4.083 2.832 8.380 975 HE1 HIS 131 HE1 HIS 131 -5.167 6.799 7.335 976 HE2 HIS 131 HE2 HIS 131 -3.483 4.951 7.023 977 HA PRO 132 HA PRO 132 -10.658 4.291 12.943 978 HB2 PRO 132 HB1 PRO 132 -11.726 5.642 10.540 979 HB3 PRO 132 HB2 PRO 132 -11.803 6.134 12.235 980 HG2 PRO 132 HG2 PRO 132 -10.209 7.395 10.493 981 HG3 PRO 132 HG1 PRO 132 -9.716 7.132 12.177 982 HD2 PRO 132 HD1 PRO 132 -8.898 5.648 9.707 983 HD3 PRO 132 HD2 PRO 132 -7.912 6.155 11.095 984 H GLU 133 HN GLU 133 -9.827 3.100 9.854 985 HA GLU 133 HA GLU 133 -12.247 1.418 9.794 986 HB2 GLU 133 HB2 GLU 133 -10.574 2.528 7.552 987 HB3 GLU 133 HB1 GLU 133 -11.623 1.136 7.314 988 HG2 GLU 133 HG2 GLU 133 -12.898 2.947 6.620 989 HG3 GLU 133 HG1 GLU 133 -13.485 2.594 8.244 990 H ALA 134 HN ALA 134 -9.540 1.152 11.093 991 HA ALA 134 HA ALA 134 -7.829 -0.645 10.028 992 HB1 ALA 134 HB1 ALA 134 -7.349 -1.434 12.270 993 HB2 ALA 134 HB2 ALA 134 -8.880 -0.780 12.851 994 HB3 ALA 134 HB3 ALA 134 -7.615 0.310 12.283 995 H ALA 135 HN ALA 135 -10.901 -1.476 11.623 996 HA ALA 135 HA ALA 135 -10.785 -4.211 11.470 997 HB1 ALA 135 HB1 ALA 135 -12.558 -2.986 12.622 998 HB2 ALA 135 HB2 ALA 135 -13.221 -4.198 11.525 999 HB3 ALA 135 HB3 ALA 135 -13.230 -2.494 11.067 1000 H ALA 136 HN ALA 136 -12.008 -1.985 8.980 1001 HA ALA 136 HA ALA 136 -12.650 -4.024 7.118 1002 HB1 ALA 136 HB1 ALA 136 -13.661 -1.801 7.035 1003 HB2 ALA 136 HB2 ALA 136 -12.894 -2.218 5.503 1004 HB3 ALA 136 HB3 ALA 136 -12.097 -1.104 6.614 1005 H ILE 137 HN ILE 137 -9.773 -2.057 7.637 1006 HA ILE 137 HA ILE 137 -8.417 -2.758 5.278 1007 HB ILE 137 HB ILE 137 -7.325 -1.858 7.938 1008 HG12 ILE 137 HG12 ILE 137 -7.734 -0.293 5.385 1009 HG13 ILE 137 HG11 ILE 137 -8.905 -0.327 6.699 1010 HG21 ILE 137 HG21 ILE 137 -5.548 -2.936 6.785 1011 HG22 ILE 137 HG22 ILE 137 -5.323 -1.198 6.577 1012 HG23 ILE 137 HG23 ILE 137 -5.986 -2.165 5.261 1013 HD11 ILE 137 HD11 ILE 137 -6.067 0.640 6.934 1014 HD12 ILE 137 HD12 ILE 137 -7.298 0.674 8.197 1015 HD13 ILE 137 HD13 ILE 137 -7.490 1.666 6.751 1016 H TYR 138 HN TYR 138 -8.042 -4.111 8.586 1017 HA TYR 138 HA TYR 138 -6.045 -5.955 7.831 1018 HB2 TYR 138 HB1 TYR 138 -6.051 -6.658 10.004 1019 HB3 TYR 138 HB2 TYR 138 -6.873 -5.118 10.209 1020 HD1 TYR 138 HD1 TYR 138 -9.245 -5.030 10.719 1021 HD2 TYR 138 HD2 TYR 138 -7.248 -8.755 10.251 1022 HE1 TYR 138 HE1 TYR 138 -11.146 -6.176 11.779 1023 HE2 TYR 138 HE2 TYR 138 -9.143 -9.913 11.306 1024 HH TYR 138 HH TYR 138 -12.145 -8.416 11.841 1025 H ARG 139 HN ARG 139 -9.561 -6.194 7.912 1026 HA ARG 139 HA ARG 139 -9.586 -9.008 7.376 1027 HB2 ARG 139 HB2 ARG 139 -11.975 -8.754 7.040 1028 HB3 ARG 139 HB1 ARG 139 -11.484 -7.866 8.475 1029 HG2 ARG 139 HG2 ARG 139 -11.499 -5.784 7.158 1030 HG3 ARG 139 HG1 ARG 139 -12.080 -6.700 5.765 1031 HD2 ARG 139 HD2 ARG 139 -13.902 -5.565 6.970 1032 HD3 ARG 139 HD1 ARG 139 -14.086 -7.319 6.961 1033 HE ARG 139 HE ARG 139 -12.730 -6.480 9.298 1034 HH11 ARG 139 HH11 ARG 139 -15.893 -6.534 7.837 1035 HH12 ARG 139 HH12 ARG 139 -16.732 -6.547 9.352 1036 HH21 ARG 139 HH21 ARG 139 -13.828 -6.499 11.296 1037 HH22 ARG 139 HH22 ARG 139 -15.559 -6.525 11.318 1038 H ALA 140 HN ALA 140 -9.462 -6.098 5.504 1039 HA ALA 140 HA ALA 140 -10.223 -7.168 3.001 1040 HB1 ALA 140 HB1 ALA 140 -9.204 -5.174 2.038 1041 HB2 ALA 140 HB2 ALA 140 -8.427 -4.816 3.582 1042 HB3 ALA 140 HB3 ALA 140 -10.185 -4.765 3.445 1043 H ILE 141 HN ILE 141 -7.158 -6.963 4.707 1044 HA ILE 141 HA ILE 141 -5.725 -8.146 2.461 1045 HB ILE 141 HB ILE 141 -3.712 -7.876 3.844 1046 HG12 ILE 141 HG11 ILE 141 -5.554 -6.609 5.885 1047 HG13 ILE 141 HG12 ILE 141 -4.869 -8.225 6.036 1048 HG21 ILE 141 HG21 ILE 141 -3.689 -5.417 3.899 1049 HG22 ILE 141 HG22 ILE 141 -5.438 -5.409 3.685 1050 HG23 ILE 141 HG23 ILE 141 -4.398 -6.045 2.411 1051 HD11 ILE 141 HD11 ILE 141 -3.276 -5.681 5.862 1052 HD12 ILE 141 HD12 ILE 141 -2.638 -7.307 6.109 1053 HD13 ILE 141 HD13 ILE 141 -3.649 -6.560 7.345 1054 H ASP 142 HN ASP 142 -7.397 -9.147 5.217 1055 HA ASP 142 HA ASP 142 -5.859 -11.392 5.993 1056 HB2 ASP 142 HB1 ASP 142 -7.601 -10.402 7.427 1057 HB3 ASP 142 HB2 ASP 142 -8.837 -10.929 6.287 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 0.830 -6.005 30.215 2 H2 MET 1 HT2 MET 1 -0.343 -4.843 30.583 3 H3 MET 1 HT3 MET 1 1.233 -4.362 30.206 4 HA MET 1 HA MET 1 1.007 -5.149 27.967 5 HB2 MET 1 HB2 MET 1 -1.281 -5.870 27.207 6 HB3 MET 1 HB1 MET 1 -0.459 -7.008 28.265 7 HG2 MET 1 HG1 MET 1 -1.778 -6.139 30.162 8 HG3 MET 1 HG2 MET 1 -2.648 -5.095 29.040 9 HE1 MET 1 HE1 MET 1 -1.383 -8.761 28.428 10 HE2 MET 1 HE2 MET 1 -2.802 -9.704 28.881 11 HE3 MET 1 HE3 MET 1 -1.911 -8.807 30.110 12 H ASN 2 HN ASN 2 1.299 -3.116 27.293 13 HA ASN 2 HA ASN 2 -1.050 -1.435 26.979 14 HB2 ASN 2 HB1 ASN 2 0.179 0.562 27.884 15 HB3 ASN 2 HB2 ASN 2 -0.268 -0.633 29.099 16 HD21 ASN 2 HD21 ASN 2 1.315 0.068 30.513 17 HD22 ASN 2 HD22 ASN 2 2.993 -0.259 30.259 18 H THR 3 HN THR 3 1.109 -2.948 25.419 19 HA THR 3 HA THR 3 2.551 -0.940 23.976 20 HB THR 3 HB THR 3 3.215 -2.755 22.470 21 HG1 THR 3 HG1 THR 3 1.008 -3.825 22.856 22 HG21 THR 3 HG21 THR 3 4.298 -4.225 24.141 23 HG22 THR 3 HG22 THR 3 3.283 -3.511 25.394 24 HG23 THR 3 HG23 THR 3 4.459 -2.514 24.538 25 H GLU 4 HN GLU 4 -0.619 -1.423 24.050 26 HA GLU 4 HA GLU 4 -1.395 -1.701 21.353 27 HB2 GLU 4 HB2 GLU 4 -2.792 -0.432 23.711 28 HB3 GLU 4 HB1 GLU 4 -3.548 -0.648 22.139 29 HG2 GLU 4 HG2 GLU 4 -4.238 -2.417 23.598 30 HG3 GLU 4 HG1 GLU 4 -3.197 -3.080 22.339 31 H GLU 5 HN GLU 5 -2.309 -0.067 19.951 32 HA GLU 5 HA GLU 5 -2.184 1.860 18.753 33 HB2 GLU 5 HB1 GLU 5 -3.277 2.712 20.860 34 HB3 GLU 5 HB2 GLU 5 -1.684 3.218 21.404 35 HG2 GLU 5 HG2 GLU 5 -2.842 4.158 18.804 36 HG3 GLU 5 HG1 GLU 5 -3.183 4.969 20.331 37 H GLN 6 HN GLN 6 -0.379 1.615 17.530 38 HA GLN 6 HA GLN 6 2.253 1.968 18.630 39 HB2 GLN 6 HB2 GLN 6 2.808 1.898 16.048 40 HB3 GLN 6 HB1 GLN 6 2.381 0.441 16.932 41 HG2 GLN 6 HG2 GLN 6 1.249 0.520 14.797 42 HG3 GLN 6 HG1 GLN 6 0.088 0.610 16.120 43 HE21 GLN 6 HE21 GLN 6 1.664 2.379 13.561 44 HE22 GLN 6 HE22 GLN 6 0.545 3.695 13.512 45 HA PRO 7 HA PRO 7 2.436 6.361 18.094 46 HB2 PRO 7 HB2 PRO 7 5.344 6.044 18.233 47 HB3 PRO 7 HB1 PRO 7 4.267 6.904 19.338 48 HG2 PRO 7 HG2 PRO 7 5.462 4.601 20.037 49 HG3 PRO 7 HG1 PRO 7 3.826 5.008 20.587 50 HD2 PRO 7 HD2 PRO 7 4.680 3.175 18.373 51 HD3 PRO 7 HD1 PRO 7 3.408 2.950 19.594 52 H VAL 8 HN VAL 8 3.263 4.157 15.931 53 HA VAL 8 HA VAL 8 4.908 5.654 14.128 54 HB VAL 8 HB VAL 8 3.220 3.305 13.318 55 HG11 VAL 8 HG21 VAL 8 5.985 4.167 12.484 56 HG12 VAL 8 HG22 VAL 8 4.503 4.545 11.608 57 HG13 VAL 8 HG23 VAL 8 5.022 2.869 11.778 58 HG21 VAL 8 HG11 VAL 8 5.850 3.182 14.790 59 HG22 VAL 8 HG12 VAL 8 4.996 1.811 14.084 60 HG23 VAL 8 HG13 VAL 8 4.281 2.696 15.431 61 H THR 9 HN THR 9 4.283 7.161 12.727 62 HA THR 9 HA THR 9 1.540 7.115 11.691 63 HB THR 9 HB THR 9 1.345 9.557 11.951 64 HG1 THR 9 HG1 THR 9 2.900 10.502 13.506 65 HG21 THR 9 HG21 THR 9 0.963 9.595 14.379 66 HG22 THR 9 HG22 THR 9 1.874 8.094 14.541 67 HG23 THR 9 HG23 THR 9 0.354 8.110 13.648 68 H ALA 10 HN ALA 10 1.345 7.729 9.592 69 HA ALA 10 HA ALA 10 3.794 7.995 8.088 70 HB1 ALA 10 HB1 ALA 10 1.989 6.549 7.282 71 HB2 ALA 10 HB2 ALA 10 2.375 7.815 6.117 72 HB3 ALA 10 HB3 ALA 10 0.936 7.954 7.126 73 H SER 11 HN SER 11 3.583 9.598 6.111 74 HA SER 11 HA SER 11 2.349 12.125 6.733 75 HB2 SER 11 HB1 SER 11 4.347 12.274 8.140 76 HB3 SER 11 HB2 SER 11 5.368 11.896 6.753 77 HG SER 11 HG SER 11 4.727 14.254 7.510 78 H LEU 12 HN LEU 12 2.704 13.735 5.014 79 HA LEU 12 HA LEU 12 2.966 12.395 2.437 80 HB2 LEU 12 HB2 LEU 12 0.992 13.846 3.007 81 HB3 LEU 12 HB1 LEU 12 2.078 15.222 2.996 82 HG LEU 12 HG LEU 12 2.577 14.812 0.624 83 HD11 LEU 12 HD21 LEU 12 0.511 12.626 0.839 84 HD12 LEU 12 HD22 LEU 12 2.245 12.385 0.629 85 HD13 LEU 12 HD23 LEU 12 1.304 13.170 -0.640 86 HD21 LEU 12 HD11 LEU 12 0.400 15.464 -0.271 87 HD22 LEU 12 HD12 LEU 12 0.762 16.324 1.225 88 HD23 LEU 12 HD13 LEU 12 -0.371 14.972 1.237 89 H VAL 13 HN VAL 13 4.787 12.484 1.324 90 HA VAL 13 HA VAL 13 6.907 14.292 2.089 91 HB VAL 13 HB VAL 13 6.930 12.403 -0.259 92 HG11 VAL 13 HG21 VAL 13 9.128 13.521 1.478 93 HG12 VAL 13 HG22 VAL 13 8.759 14.001 -0.178 94 HG13 VAL 13 HG23 VAL 13 9.348 12.373 0.157 95 HG21 VAL 13 HG11 VAL 13 7.919 10.732 1.265 96 HG22 VAL 13 HG12 VAL 13 6.244 11.113 1.665 97 HG23 VAL 13 HG13 VAL 13 7.557 11.793 2.627 98 H ALA 14 HN ALA 14 8.049 15.648 0.540 99 HA ALA 14 HA ALA 14 6.413 17.464 -0.781 100 HB1 ALA 14 HB1 ALA 14 9.326 16.908 -1.335 101 HB2 ALA 14 HB2 ALA 14 8.708 17.954 -0.057 102 HB3 ALA 14 HB3 ALA 14 8.446 18.379 -1.748 103 H GLU 15 HN GLU 15 6.057 17.894 -3.002 104 HA GLU 15 HA GLU 15 5.535 15.559 -4.552 105 HB2 GLU 15 HB2 GLU 15 4.706 17.112 -6.250 106 HB3 GLU 15 HB1 GLU 15 4.079 17.524 -4.660 107 HG2 GLU 15 HG1 GLU 15 5.680 19.324 -4.458 108 HG3 GLU 15 HG2 GLU 15 6.406 18.881 -6.003 109 H ALA 16 HN ALA 16 8.201 17.718 -4.303 110 HA ALA 16 HA ALA 16 9.317 16.750 -6.841 111 HB1 ALA 16 HB1 ALA 16 10.927 18.573 -6.648 112 HB2 ALA 16 HB2 ALA 16 10.233 19.029 -5.091 113 HB3 ALA 16 HB3 ALA 16 9.270 19.174 -6.563 114 H GLN 17 HN GLN 17 9.266 15.674 -3.811 115 HA GLN 17 HA GLN 17 12.074 14.775 -3.917 116 HB2 GLN 17 HB2 GLN 17 10.442 15.498 -1.479 117 HB3 GLN 17 HB1 GLN 17 11.996 14.680 -1.412 118 HG2 GLN 17 HG2 GLN 17 11.576 17.375 -2.677 119 HG3 GLN 17 HG1 GLN 17 12.073 17.137 -1.002 120 HE21 GLN 17 HE21 GLN 17 12.988 16.749 -4.342 121 HE22 GLN 17 HE22 GLN 17 14.683 16.585 -4.066 122 H ARG 18 HN ARG 18 8.774 13.989 -3.676 123 HA ARG 18 HA ARG 18 9.024 11.431 -2.453 124 HB2 ARG 18 HB2 ARG 18 6.715 11.100 -3.139 125 HB3 ARG 18 HB1 ARG 18 6.923 12.710 -2.463 126 HG2 ARG 18 HG1 ARG 18 7.173 13.511 -4.864 127 HG3 ARG 18 HG2 ARG 18 6.548 11.927 -5.330 128 HD2 ARG 18 HD2 ARG 18 4.622 12.401 -3.746 129 HD3 ARG 18 HD1 ARG 18 5.192 14.064 -3.714 130 HE ARG 18 HE ARG 18 4.877 13.206 -6.384 131 HH11 ARG 18 HH11 ARG 18 3.023 14.121 -3.580 132 HH12 ARG 18 HH12 ARG 18 1.661 14.667 -4.499 133 HH21 ARG 18 HH21 ARG 18 3.088 13.921 -7.603 134 HH22 ARG 18 HH22 ARG 18 1.697 14.552 -6.787 135 H LEU 19 HN LEU 19 9.543 12.618 -5.646 136 HA LEU 19 HA LEU 19 9.137 10.126 -6.998 137 HB2 LEU 19 HB2 LEU 19 9.876 11.190 -8.939 138 HB3 LEU 19 HB1 LEU 19 9.048 12.444 -8.039 139 HG LEU 19 HG LEU 19 12.046 12.090 -8.121 140 HD11 LEU 19 HD11 LEU 19 11.209 12.708 -10.310 141 HD12 LEU 19 HD12 LEU 19 12.034 14.075 -9.562 142 HD13 LEU 19 HD13 LEU 19 10.273 14.024 -9.602 143 HD21 LEU 19 HD21 LEU 19 12.077 14.338 -7.140 144 HD22 LEU 19 HD22 LEU 19 11.285 13.166 -6.088 145 HD23 LEU 19 HD23 LEU 19 10.318 14.303 -7.028 146 H ASP 20 HN ASP 20 11.624 11.430 -5.088 147 HA ASP 20 HA ASP 20 13.511 9.384 -6.065 148 HB2 ASP 20 HB2 ASP 20 14.120 11.927 -6.181 149 HB3 ASP 20 HB1 ASP 20 14.373 11.754 -4.445 150 H PHE 21 HN PHE 21 11.463 10.287 -3.619 151 HA PHE 21 HA PHE 21 12.975 9.261 -1.386 152 HB2 PHE 21 HB2 PHE 21 11.138 11.083 -1.333 153 HB3 PHE 21 HB1 PHE 21 10.004 9.737 -1.395 154 HD1 PHE 21 HD2 PHE 21 12.695 11.286 0.592 155 HD2 PHE 21 HD1 PHE 21 9.539 8.431 0.514 156 HE1 PHE 21 HE2 PHE 21 12.872 11.029 3.032 157 HE2 PHE 21 HE1 PHE 21 9.710 8.171 2.954 158 HZ PHE 21 HZ PHE 21 11.378 9.470 4.217 159 H LEU 22 HN LEU 22 10.481 8.157 -3.585 160 HA LEU 22 HA LEU 22 9.795 5.779 -2.240 161 HB2 LEU 22 HB2 LEU 22 8.765 7.039 -4.353 162 HB3 LEU 22 HB1 LEU 22 9.736 5.862 -5.214 163 HG LEU 22 HG LEU 22 7.453 5.070 -4.980 164 HD11 LEU 22 HD21 LEU 22 7.880 2.901 -3.969 165 HD12 LEU 22 HD22 LEU 22 9.331 3.535 -3.191 166 HD13 LEU 22 HD23 LEU 22 9.253 3.417 -4.948 167 HD21 LEU 22 HD11 LEU 22 6.480 4.596 -2.800 168 HD22 LEU 22 HD12 LEU 22 6.852 6.311 -2.964 169 HD23 LEU 22 HD13 LEU 22 7.904 5.271 -2.007 170 HA PRO 23 HA PRO 23 13.143 3.642 -4.995 171 HB2 PRO 23 HB2 PRO 23 15.006 5.207 -6.182 172 HB3 PRO 23 HB1 PRO 23 13.476 4.795 -6.964 173 HG2 PRO 23 HG2 PRO 23 14.245 7.294 -5.503 174 HG3 PRO 23 HG1 PRO 23 13.365 7.120 -7.033 175 HD2 PRO 23 HD2 PRO 23 12.121 7.601 -4.673 176 HD3 PRO 23 HD1 PRO 23 11.371 6.659 -5.977 177 H THR 24 HN THR 24 13.700 6.341 -2.956 178 HA THR 24 HA THR 24 16.373 5.575 -2.180 179 HB THR 24 HB THR 24 14.487 7.759 -1.395 180 HG1 THR 24 HG1 THR 24 16.119 7.845 -3.149 181 HG21 THR 24 HG21 THR 24 17.009 7.084 0.122 182 HG22 THR 24 HG22 THR 24 15.365 6.895 0.734 183 HG23 THR 24 HG23 THR 24 15.988 8.503 0.364 184 H TYR 25 HN TYR 25 13.112 5.177 -0.949 185 HA TYR 25 HA TYR 25 14.158 3.892 1.474 186 HB2 TYR 25 HB1 TYR 25 11.748 5.400 0.836 187 HB3 TYR 25 HB2 TYR 25 11.395 3.893 1.675 188 HD1 TYR 25 HD2 TYR 25 13.411 7.004 1.905 189 HD2 TYR 25 HD1 TYR 25 11.720 3.705 3.992 190 HE1 TYR 25 HE2 TYR 25 14.016 8.055 4.045 191 HE2 TYR 25 HE1 TYR 25 12.320 4.747 6.137 192 HH TYR 25 HH TYR 25 13.936 6.392 6.998 193 H PHE 26 HN PHE 26 12.472 3.244 -1.482 194 HA PHE 26 HA PHE 26 11.929 0.485 -0.659 195 HB2 PHE 26 HB2 PHE 26 10.270 2.150 -1.912 196 HB3 PHE 26 HB1 PHE 26 11.118 1.544 -3.330 197 HD1 PHE 26 HD1 PHE 26 10.367 -0.430 -0.297 198 HD2 PHE 26 HD2 PHE 26 9.354 0.372 -4.352 199 HE1 PHE 26 HE1 PHE 26 8.915 -2.416 -0.323 200 HE2 PHE 26 HE2 PHE 26 7.902 -1.613 -4.385 201 HZ PHE 26 HZ PHE 26 7.679 -3.008 -2.370 202 H GLY 27 HN GLY 27 13.491 2.382 -3.208 203 HA2 GLY 27 HA2 GLY 27 15.830 1.293 -3.587 204 HA3 GLY 27 HA1 GLY 27 14.845 -0.038 -4.178 205 HA PRO 28 HA PRO 28 15.511 3.690 -7.284 206 HB2 PRO 28 HB1 PRO 28 17.765 2.747 -8.565 207 HB3 PRO 28 HB2 PRO 28 17.769 4.004 -7.325 208 HG2 PRO 28 HG2 PRO 28 18.352 1.081 -7.068 209 HG3 PRO 28 HG1 PRO 28 19.173 2.459 -6.310 210 HD2 PRO 28 HD2 PRO 28 17.425 0.951 -4.946 211 HD3 PRO 28 HD1 PRO 28 17.530 2.705 -4.689 212 H ARG 29 HN ARG 29 15.669 0.236 -7.265 213 HA ARG 29 HA ARG 29 14.877 0.080 -10.073 214 HB2 ARG 29 HB1 ARG 29 16.639 -1.449 -9.259 215 HB3 ARG 29 HB2 ARG 29 15.500 -2.135 -8.111 216 HG2 ARG 29 HG1 ARG 29 14.782 -2.148 -10.996 217 HG3 ARG 29 HG2 ARG 29 15.993 -3.294 -10.416 218 HD2 ARG 29 HD2 ARG 29 14.440 -4.195 -8.809 219 HD3 ARG 29 HD1 ARG 29 13.243 -2.971 -9.225 220 HE ARG 29 HE ARG 29 13.159 -4.039 -11.462 221 HH11 ARG 29 HH11 ARG 29 14.316 -5.848 -8.717 222 HH12 ARG 29 HH12 ARG 29 13.897 -7.387 -9.391 223 HH21 ARG 29 HH21 ARG 29 12.602 -6.062 -12.356 224 HH22 ARG 29 HH22 ARG 29 12.925 -7.509 -11.460 225 H LEU 30 HN LEU 30 13.669 -0.711 -6.823 226 HA LEU 30 HA LEU 30 11.275 -1.921 -7.674 227 HB2 LEU 30 HB1 LEU 30 12.040 -0.598 -5.078 228 HB3 LEU 30 HB2 LEU 30 10.564 -1.506 -5.313 229 HG LEU 30 HG LEU 30 13.362 -2.622 -5.532 230 HD11 LEU 30 HD21 LEU 30 12.702 -2.033 -3.239 231 HD12 LEU 30 HD22 LEU 30 12.858 -3.775 -3.464 232 HD13 LEU 30 HD23 LEU 30 11.260 -3.032 -3.412 233 HD21 LEU 30 HD11 LEU 30 11.841 -3.780 -7.018 234 HD22 LEU 30 HD12 LEU 30 10.673 -3.973 -5.711 235 HD23 LEU 30 HD13 LEU 30 12.227 -4.801 -5.633 236 H MET 31 HN MET 31 12.124 1.415 -6.912 237 HA MET 31 HA MET 31 9.934 2.777 -6.475 238 HB2 MET 31 HB2 MET 31 10.707 4.525 -8.143 239 HB3 MET 31 HB1 MET 31 11.889 4.001 -6.950 240 HG2 MET 31 HG2 MET 31 13.292 3.496 -8.572 241 HG3 MET 31 HG1 MET 31 12.151 2.300 -9.183 242 HE1 MET 31 HE1 MET 31 13.401 6.000 -9.397 243 HE2 MET 31 HE2 MET 31 11.697 6.219 -8.997 244 HE3 MET 31 HE3 MET 31 12.298 6.695 -10.585 245 H MET 32 HN MET 32 10.496 1.281 -9.636 246 HA MET 32 HA MET 32 7.831 2.165 -10.484 247 HB2 MET 32 HB1 MET 32 8.513 1.537 -12.740 248 HB3 MET 32 HB2 MET 32 9.689 2.633 -12.026 249 HG2 MET 32 HG1 MET 32 11.100 0.679 -11.469 250 HG3 MET 32 HG2 MET 32 9.948 -0.348 -12.321 251 HE1 MET 32 HE1 MET 32 12.100 -1.232 -13.799 252 HE2 MET 32 HE2 MET 32 13.107 -0.119 -12.873 253 HE3 MET 32 HE3 MET 32 13.177 -0.114 -14.635 254 H ARG 33 HN ARG 33 9.754 -0.653 -9.768 255 HA ARG 33 HA ARG 33 7.882 -2.565 -10.765 256 HB2 ARG 33 HB1 ARG 33 10.150 -2.898 -8.794 257 HB3 ARG 33 HB2 ARG 33 9.277 -4.210 -9.573 258 HG2 ARG 33 HG1 ARG 33 10.826 -2.115 -11.074 259 HG3 ARG 33 HG2 ARG 33 11.494 -3.672 -10.581 260 HD2 ARG 33 HD2 ARG 33 9.079 -3.291 -12.347 261 HD3 ARG 33 HD1 ARG 33 10.703 -3.680 -12.914 262 HE ARG 33 HE ARG 33 9.855 -5.577 -10.999 263 HH11 ARG 33 HH11 ARG 33 9.323 -4.607 -14.303 264 HH12 ARG 33 HH12 ARG 33 8.858 -6.190 -14.827 265 HH21 ARG 33 HH21 ARG 33 9.245 -7.664 -11.681 266 HH22 ARG 33 HH22 ARG 33 8.814 -7.929 -13.337 267 H GLY 34 HN GLY 34 7.913 -0.576 -8.031 268 HA2 GLY 34 HA2 GLY 34 6.169 -2.432 -6.546 269 HA3 GLY 34 HA1 GLY 34 7.088 -1.120 -5.821 270 H GLU 35 HN GLU 35 6.491 0.957 -7.568 271 HA GLU 35 HA GLU 35 4.050 1.881 -6.580 272 HB2 GLU 35 HB2 GLU 35 4.254 3.714 -8.137 273 HB3 GLU 35 HB1 GLU 35 5.851 3.332 -7.511 274 HG2 GLU 35 HG1 GLU 35 6.432 2.186 -9.541 275 HG3 GLU 35 HG2 GLU 35 4.795 2.386 -10.164 276 H ALA 36 HN ALA 36 4.872 0.167 -9.530 277 HA ALA 36 HA ALA 36 2.221 0.371 -10.642 278 HB1 ALA 36 HB1 ALA 36 3.056 -1.136 -12.369 279 HB2 ALA 36 HB2 ALA 36 4.522 -1.415 -11.427 280 HB3 ALA 36 HB3 ALA 36 4.188 0.187 -12.086 281 H LEU 37 HN LEU 37 3.762 -1.619 -8.350 282 HA LEU 37 HA LEU 37 2.098 -3.938 -8.743 283 HB2 LEU 37 HB2 LEU 37 4.443 -3.247 -7.225 284 HB3 LEU 37 HB1 LEU 37 3.269 -4.040 -6.193 285 HG LEU 37 HG LEU 37 4.241 -5.184 -8.808 286 HD11 LEU 37 HD21 LEU 37 6.085 -4.983 -7.209 287 HD12 LEU 37 HD22 LEU 37 5.632 -6.667 -7.473 288 HD13 LEU 37 HD23 LEU 37 5.125 -5.838 -6.001 289 HD21 LEU 37 HD11 LEU 37 3.269 -7.257 -7.948 290 HD22 LEU 37 HD12 LEU 37 2.056 -5.988 -8.116 291 HD23 LEU 37 HD13 LEU 37 2.695 -6.391 -6.522 292 H VAL 38 HN VAL 38 2.240 -1.252 -6.449 293 HA VAL 38 HA VAL 38 0.215 -2.247 -4.725 294 HB VAL 38 HB VAL 38 0.214 -0.133 -3.651 295 HG11 VAL 38 HG21 VAL 38 2.981 -0.646 -4.732 296 HG12 VAL 38 HG22 VAL 38 2.244 -1.444 -3.342 297 HG13 VAL 38 HG23 VAL 38 2.594 0.283 -3.283 298 HG21 VAL 38 HG11 VAL 38 1.253 1.870 -4.610 299 HG22 VAL 38 HG12 VAL 38 -0.099 1.297 -5.586 300 HG23 VAL 38 HG13 VAL 38 1.558 0.987 -6.107 301 H TYR 39 HN TYR 39 0.183 -0.109 -7.527 302 HA TYR 39 HA TYR 39 -2.626 0.442 -7.318 303 HB2 TYR 39 HB2 TYR 39 -2.149 2.074 -8.779 304 HB3 TYR 39 HB1 TYR 39 -0.468 1.569 -8.669 305 HD1 TYR 39 HD2 TYR 39 0.479 0.041 -10.380 306 HD2 TYR 39 HD1 TYR 39 -3.422 1.694 -10.759 307 HE1 TYR 39 HE2 TYR 39 0.482 -0.517 -12.776 308 HE2 TYR 39 HE1 TYR 39 -3.431 1.142 -13.156 309 HH TYR 39 HH TYR 39 -1.779 0.726 -14.957 310 H ALA 40 HN ALA 40 -0.660 -1.995 -8.780 311 HA ALA 40 HA ALA 40 -2.401 -2.894 -10.798 312 HB1 ALA 40 HB1 ALA 40 -0.056 -3.571 -10.675 313 HB2 ALA 40 HB2 ALA 40 -1.123 -4.974 -10.730 314 HB3 ALA 40 HB3 ALA 40 -0.392 -4.481 -9.202 315 H TRP 41 HN TRP 41 -2.205 -3.602 -7.359 316 HA TRP 41 HA TRP 41 -4.206 -5.670 -7.468 317 HB2 TRP 41 HB2 TRP 41 -2.834 -4.242 -5.189 318 HB3 TRP 41 HB1 TRP 41 -4.086 -5.452 -4.934 319 HD1 TRP 41 HD1 TRP 41 -0.421 -5.086 -5.774 320 HE1 TRP 41 HE1 TRP 41 0.661 -7.414 -5.866 321 HE3 TRP 41 HE3 TRP 41 -4.647 -7.958 -5.576 322 HZ2 TRP 41 HZ2 TRP 41 -0.161 -10.115 -5.861 323 HZ3 TRP 41 HZ3 TRP 41 -4.411 -10.406 -5.627 324 HH2 TRP 41 HH2 TRP 41 -2.214 -11.461 -5.767 325 H MET 42 HN MET 42 -4.076 -2.239 -6.751 326 HA MET 42 HA MET 42 -6.619 -2.002 -5.564 327 HB2 MET 42 HB1 MET 42 -4.669 -0.329 -5.583 328 HB3 MET 42 HB2 MET 42 -5.284 0.174 -7.152 329 HG2 MET 42 HG2 MET 42 -6.091 1.609 -5.358 330 HG3 MET 42 HG1 MET 42 -7.412 0.761 -6.161 331 HE1 MET 42 HE1 MET 42 -8.952 0.774 -2.663 332 HE2 MET 42 HE2 MET 42 -9.221 0.956 -4.397 333 HE3 MET 42 HE3 MET 42 -8.165 2.083 -3.546 334 H ARG 43 HN ARG 43 -5.542 -1.597 -8.931 335 HA ARG 43 HA ARG 43 -8.037 -0.780 -9.956 336 HB2 ARG 43 HB2 ARG 43 -7.097 -1.417 -12.161 337 HB3 ARG 43 HB1 ARG 43 -6.017 -0.400 -11.216 338 HG2 ARG 43 HG1 ARG 43 -4.698 -2.339 -10.592 339 HG3 ARG 43 HG2 ARG 43 -5.805 -3.394 -11.474 340 HD2 ARG 43 HD2 ARG 43 -4.234 -1.152 -12.730 341 HD3 ARG 43 HD1 ARG 43 -3.713 -2.837 -12.710 342 HE ARG 43 HE ARG 43 -6.274 -2.780 -13.785 343 HH11 ARG 43 HH11 ARG 43 -3.103 -1.569 -14.570 344 HH12 ARG 43 HH12 ARG 43 -3.363 -1.624 -16.281 345 HH21 ARG 43 HH21 ARG 43 -6.625 -2.859 -16.036 346 HH22 ARG 43 HH22 ARG 43 -5.366 -2.357 -17.115 347 H ARG 44 HN ARG 44 -6.809 -3.872 -9.058 348 HA ARG 44 HA ARG 44 -8.643 -5.407 -10.649 349 HB2 ARG 44 HB2 ARG 44 -6.813 -6.118 -8.355 350 HB3 ARG 44 HB1 ARG 44 -7.842 -7.297 -9.160 351 HG2 ARG 44 HG2 ARG 44 -6.697 -6.955 -11.244 352 HG3 ARG 44 HG1 ARG 44 -5.752 -5.635 -10.549 353 HD2 ARG 44 HD2 ARG 44 -4.458 -7.711 -10.677 354 HD3 ARG 44 HD1 ARG 44 -4.683 -7.178 -9.011 355 HE ARG 44 HE ARG 44 -6.734 -8.925 -9.454 356 HH11 ARG 44 HH11 ARG 44 -3.262 -9.081 -9.713 357 HH12 ARG 44 HH12 ARG 44 -3.182 -10.771 -9.338 358 HH21 ARG 44 HH21 ARG 44 -6.636 -11.149 -8.958 359 HH22 ARG 44 HH22 ARG 44 -5.100 -11.946 -8.909 360 H LEU 45 HN LEU 45 -8.385 -4.563 -7.221 361 HA LEU 45 HA LEU 45 -10.527 -5.881 -6.165 362 HB2 LEU 45 HB2 LEU 45 -9.758 -3.049 -5.485 363 HB3 LEU 45 HB1 LEU 45 -10.655 -4.156 -4.471 364 HG LEU 45 HG LEU 45 -7.783 -4.526 -5.319 365 HD11 LEU 45 HD11 LEU 45 -8.066 -2.666 -3.760 366 HD12 LEU 45 HD12 LEU 45 -7.242 -4.026 -2.998 367 HD13 LEU 45 HD13 LEU 45 -8.945 -3.723 -2.656 368 HD21 LEU 45 HD21 LEU 45 -8.952 -6.643 -4.976 369 HD22 LEU 45 HD22 LEU 45 -9.482 -6.097 -3.386 370 HD23 LEU 45 HD23 LEU 45 -7.767 -6.353 -3.703 371 H CYS 46 HN CYS 46 -10.645 -3.151 -8.337 372 HA CYS 46 HA CYS 46 -13.575 -3.275 -8.214 373 HB2 CYS 46 HB2 CYS 46 -12.924 -1.261 -7.007 374 HB3 CYS 46 HB1 CYS 46 -11.920 -0.747 -8.357 375 HG CYS 46 HG CYS 46 -15.327 -0.836 -8.208 376 H GLU 47 HN GLU 47 -14.425 -3.700 -10.142 377 HA GLU 47 HA GLU 47 -12.853 -3.926 -12.480 378 HB2 GLU 47 HB2 GLU 47 -14.957 -4.420 -13.627 379 HB3 GLU 47 HB1 GLU 47 -14.855 -5.294 -12.104 380 HG2 GLU 47 HG2 GLU 47 -16.314 -3.637 -11.057 381 HG3 GLU 47 HG1 GLU 47 -16.418 -2.767 -12.586 382 H ARG 48 HN ARG 48 -14.668 -1.356 -11.081 383 HA ARG 48 HA ARG 48 -14.371 0.261 -13.522 384 HB2 ARG 48 HB2 ARG 48 -16.102 0.793 -11.096 385 HB3 ARG 48 HB1 ARG 48 -16.063 1.747 -12.572 386 HG2 ARG 48 HG2 ARG 48 -16.989 -1.108 -12.325 387 HG3 ARG 48 HG1 ARG 48 -18.015 0.315 -12.523 388 HD2 ARG 48 HD1 ARG 48 -15.986 -0.717 -14.502 389 HD3 ARG 48 HD2 ARG 48 -17.739 -0.844 -14.642 390 HE ARG 48 HE ARG 48 -17.174 1.847 -14.373 391 HH11 ARG 48 HH11 ARG 48 -16.416 -0.714 -16.610 392 HH12 ARG 48 HH12 ARG 48 -16.288 0.343 -17.977 393 HH21 ARG 48 HH21 ARG 48 -17.008 3.246 -16.167 394 HH22 ARG 48 HH22 ARG 48 -16.624 2.594 -17.724 395 H TYR 49 HN TYR 49 -12.068 -0.171 -12.191 396 HA TYR 49 HA TYR 49 -11.607 2.296 -10.652 397 HB2 TYR 49 HB2 TYR 49 -11.236 -0.117 -9.649 398 HB3 TYR 49 HB1 TYR 49 -9.724 -0.024 -10.546 399 HD1 TYR 49 HD2 TYR 49 -8.261 2.076 -10.118 400 HD2 TYR 49 HD1 TYR 49 -11.374 0.782 -7.531 401 HE1 TYR 49 HE2 TYR 49 -7.252 3.359 -8.277 402 HE2 TYR 49 HE1 TYR 49 -10.378 2.055 -5.681 403 HH TYR 49 HH TYR 49 -7.927 4.367 -6.150 404 H ASN 50 HN ASN 50 -11.028 3.667 -12.309 405 HA ASN 50 HA ASN 50 -9.258 2.918 -14.408 406 HB2 ASN 50 HB1 ASN 50 -9.943 5.711 -13.473 407 HB3 ASN 50 HB2 ASN 50 -9.319 5.247 -15.053 408 HD21 ASN 50 HD21 ASN 50 -11.013 2.846 -15.139 409 HD22 ASN 50 HD22 ASN 50 -12.604 3.414 -15.503 410 H GLY 51 HN GLY 51 -8.847 4.903 -11.478 411 HA2 GLY 51 HA1 GLY 51 -6.435 4.076 -10.617 412 HA3 GLY 51 HA2 GLY 51 -5.996 5.141 -11.943 413 H ALA 52 HN ALA 52 -4.887 6.184 -10.023 414 HA ALA 52 HA ALA 52 -6.161 8.592 -9.385 415 HB1 ALA 52 HB1 ALA 52 -6.513 8.324 -6.968 416 HB2 ALA 52 HB2 ALA 52 -6.130 6.609 -7.112 417 HB3 ALA 52 HB3 ALA 52 -7.560 7.262 -7.910 418 H TYR 53 HN TYR 53 -4.940 9.624 -7.335 419 HA TYR 53 HA TYR 53 -2.112 9.327 -7.964 420 HB2 TYR 53 HB2 TYR 53 -3.759 11.430 -6.607 421 HB3 TYR 53 HB1 TYR 53 -2.021 11.380 -6.345 422 HD1 TYR 53 HD1 TYR 53 -0.708 10.972 -8.724 423 HD2 TYR 53 HD2 TYR 53 -4.440 12.948 -8.196 424 HE1 TYR 53 HE1 TYR 53 -0.345 12.207 -10.821 425 HE2 TYR 53 HE2 TYR 53 -4.088 14.185 -10.292 426 HH TYR 53 HH TYR 53 -1.702 13.355 -12.540 427 H TRP 54 HN TRP 54 -1.408 7.536 -6.911 428 HA TRP 54 HA TRP 54 -2.070 6.999 -4.172 429 HB2 TRP 54 HB1 TRP 54 0.241 5.627 -5.431 430 HB3 TRP 54 HB2 TRP 54 -1.100 4.958 -4.505 431 HD1 TRP 54 HD1 TRP 54 -3.492 4.715 -5.910 432 HE1 TRP 54 HE1 TRP 54 -3.860 4.144 -8.390 433 HE3 TRP 54 HE3 TRP 54 1.167 5.827 -7.698 434 HZ2 TRP 54 HZ2 TRP 54 -2.373 4.163 -10.790 435 HZ3 TRP 54 HZ3 TRP 54 1.612 5.524 -10.099 436 HH2 TRP 54 HH2 TRP 54 -0.124 4.709 -11.612 437 H HIS 55 HN HIS 55 -1.332 9.086 -3.349 438 HA HIS 55 HA HIS 55 1.133 10.182 -3.337 439 HB2 HIS 55 HB2 HIS 55 -0.624 9.844 -0.898 440 HB3 HIS 55 HB1 HIS 55 0.667 11.028 -1.076 441 HD1 HIS 55 HD1 HIS 55 0.243 12.971 -2.814 442 HD2 HIS 55 HD2 HIS 55 -3.043 10.557 -2.010 443 HE1 HIS 55 HE1 HIS 55 -1.749 14.235 -3.686 444 HE2 HIS 55 HE2 HIS 55 -3.716 12.717 -3.262 445 H TYR 56 HN TYR 56 3.093 9.853 -2.442 446 HA TYR 56 HA TYR 56 3.602 7.192 -1.374 447 HB2 TYR 56 HB1 TYR 56 5.655 9.317 -1.971 448 HB3 TYR 56 HB2 TYR 56 5.901 7.580 -1.836 449 HD1 TYR 56 HD2 TYR 56 3.650 6.594 -3.514 450 HD2 TYR 56 HD1 TYR 56 6.385 9.790 -4.146 451 HE1 TYR 56 HE2 TYR 56 3.353 6.359 -5.945 452 HE2 TYR 56 HE1 TYR 56 6.093 9.567 -6.577 453 HH TYR 56 HH TYR 56 5.397 7.857 -8.200 454 H TYR 57 HN TYR 57 2.596 7.567 0.673 455 HA TYR 57 HA TYR 57 3.488 9.562 2.470 456 HB2 TYR 57 HB1 TYR 57 1.942 7.006 2.803 457 HB3 TYR 57 HB2 TYR 57 2.426 7.962 4.202 458 HD1 TYR 57 HD2 TYR 57 1.446 10.144 4.618 459 HD2 TYR 57 HD1 TYR 57 0.248 7.818 1.265 460 HE1 TYR 57 HE2 TYR 57 -0.519 11.589 4.328 461 HE2 TYR 57 HE1 TYR 57 -1.724 9.257 0.963 462 HH TYR 57 HH TYR 57 -2.079 12.239 2.530 463 H ALA 58 HN ALA 58 4.815 9.390 4.292 464 HA ALA 58 HA ALA 58 6.739 7.159 4.209 465 HB1 ALA 58 HB1 ALA 58 7.735 9.249 3.413 466 HB2 ALA 58 HB2 ALA 58 8.472 8.717 4.924 467 HB3 ALA 58 HB3 ALA 58 7.299 10.034 4.931 468 H LEU 59 HN LEU 59 6.664 5.929 5.953 469 HA LEU 59 HA LEU 59 5.448 6.945 8.394 470 HB2 LEU 59 HB2 LEU 59 6.078 4.246 7.300 471 HB3 LEU 59 HB1 LEU 59 5.910 4.426 9.039 472 HG LEU 59 HG LEU 59 3.768 5.438 7.197 473 HD11 LEU 59 HD21 LEU 59 4.099 3.163 6.493 474 HD12 LEU 59 HD22 LEU 59 2.629 3.265 7.461 475 HD13 LEU 59 HD23 LEU 59 4.106 2.608 8.167 476 HD21 LEU 59 HD11 LEU 59 3.634 4.298 9.978 477 HD22 LEU 59 HD12 LEU 59 2.356 5.139 9.099 478 HD23 LEU 59 HD13 LEU 59 3.795 6.016 9.619 479 H SER 60 HN SER 60 6.442 6.761 10.451 480 HA SER 60 HA SER 60 9.154 7.573 10.476 481 HB2 SER 60 HB2 SER 60 8.923 7.525 12.935 482 HB3 SER 60 HB1 SER 60 7.569 8.350 12.163 483 HG SER 60 HG SER 60 6.315 6.519 12.470 484 H ASP 61 HN ASP 61 7.634 4.467 10.740 485 HA ASP 61 HA ASP 61 10.040 3.240 11.834 486 HB2 ASP 61 HB2 ASP 61 7.271 2.232 11.246 487 HB3 ASP 61 HB1 ASP 61 8.592 1.114 11.572 488 H GLY 62 HN GLY 62 9.371 4.335 8.922 489 HA2 GLY 62 HA1 GLY 62 10.474 3.926 6.924 490 HA3 GLY 62 HA2 GLY 62 11.163 2.476 7.637 491 H GLY 63 HN GLY 63 7.908 2.347 8.177 492 HA2 GLY 63 HA2 GLY 63 7.566 0.394 6.051 493 HA3 GLY 63 HA1 GLY 63 6.448 0.709 7.370 494 H PHE 64 HN PHE 64 7.760 3.226 5.345 495 HA PHE 64 HA PHE 64 5.571 4.672 4.822 496 HB2 PHE 64 HB1 PHE 64 6.618 5.450 2.766 497 HB3 PHE 64 HB2 PHE 64 7.837 5.230 4.017 498 HD1 PHE 64 HD1 PHE 64 9.224 3.113 3.978 499 HD2 PHE 64 HD2 PHE 64 6.799 4.361 0.712 500 HE1 PHE 64 HE1 PHE 64 10.510 1.655 2.470 501 HE2 PHE 64 HE2 PHE 64 8.081 2.905 -0.802 502 HZ PHE 64 HZ PHE 64 9.938 1.549 0.077 503 H TYR 65 HN TYR 65 3.875 4.756 3.376 504 HA TYR 65 HA TYR 65 3.467 2.415 1.653 505 HB2 TYR 65 HB2 TYR 65 1.336 1.941 2.476 506 HB3 TYR 65 HB1 TYR 65 2.253 2.296 3.934 507 HD1 TYR 65 HD1 TYR 65 2.029 4.621 4.960 508 HD2 TYR 65 HD2 TYR 65 -0.593 3.150 1.945 509 HE1 TYR 65 HE1 TYR 65 0.371 6.329 5.577 510 HE2 TYR 65 HE2 TYR 65 -2.256 4.859 2.555 511 HH TYR 65 HH TYR 65 -1.535 7.499 4.559 512 H MET 66 HN MET 66 1.298 2.824 0.354 513 HA MET 66 HA MET 66 1.307 5.608 -0.626 514 HB2 MET 66 HB2 MET 66 1.157 3.090 -2.297 515 HB3 MET 66 HB1 MET 66 1.016 4.732 -2.912 516 HG2 MET 66 HG1 MET 66 3.267 5.207 -2.481 517 HG3 MET 66 HG2 MET 66 3.449 3.804 -1.430 518 HE1 MET 66 HE1 MET 66 2.952 4.914 -5.273 519 HE2 MET 66 HE2 MET 66 1.560 3.943 -4.790 520 HE3 MET 66 HE3 MET 66 2.717 3.304 -5.957 521 H ALA 67 HN ALA 67 -0.656 6.506 -0.994 522 HA ALA 67 HA ALA 67 -3.016 4.753 -0.923 523 HB1 ALA 67 HB1 ALA 67 -2.767 7.348 0.590 524 HB2 ALA 67 HB2 ALA 67 -2.678 5.738 1.306 525 HB3 ALA 67 HB3 ALA 67 -4.174 6.285 0.550 526 HA PRO 68 HA PRO 68 -3.934 7.001 -4.676 527 HB2 PRO 68 HB2 PRO 68 -6.660 5.946 -4.168 528 HB3 PRO 68 HB1 PRO 68 -5.639 5.782 -5.599 529 HG2 PRO 68 HG2 PRO 68 -6.024 3.723 -3.948 530 HG3 PRO 68 HG1 PRO 68 -4.447 4.005 -4.710 531 HD2 PRO 68 HD2 PRO 68 -5.334 4.583 -1.912 532 HD3 PRO 68 HD1 PRO 68 -3.777 3.961 -2.495 533 H ASP 69 HN ASP 69 -5.271 8.776 -5.337 534 HA ASP 69 HA ASP 69 -6.321 10.290 -3.051 535 HB2 ASP 69 HB2 ASP 69 -4.485 11.336 -4.332 536 HB3 ASP 69 HB1 ASP 69 -5.484 11.285 -5.782 537 H LEU 70 HN LEU 70 -8.361 9.214 -3.051 538 HA LEU 70 HA LEU 70 -10.172 10.279 -5.110 539 HB2 LEU 70 HB1 LEU 70 -10.213 7.474 -4.000 540 HB3 LEU 70 HB2 LEU 70 -11.466 8.163 -5.010 541 HG LEU 70 HG LEU 70 -8.597 7.840 -5.891 542 HD11 LEU 70 HD11 LEU 70 -9.384 5.919 -7.186 543 HD12 LEU 70 HD12 LEU 70 -10.975 6.068 -6.438 544 HD13 LEU 70 HD13 LEU 70 -9.572 5.655 -5.452 545 HD21 LEU 70 HD21 LEU 70 -9.851 9.579 -7.063 546 HD22 LEU 70 HD22 LEU 70 -11.122 8.416 -7.435 547 HD23 LEU 70 HD23 LEU 70 -9.510 8.208 -8.119 548 H ALA 71 HN ALA 71 -11.290 11.753 -3.998 549 HA ALA 71 HA ALA 71 -11.906 11.512 -1.227 550 HB1 ALA 71 HB1 ALA 71 -13.045 13.407 -3.278 551 HB2 ALA 71 HB2 ALA 71 -11.595 13.684 -2.314 552 HB3 ALA 71 HB3 ALA 71 -13.169 13.571 -1.527 553 H GLY 72 HN GLY 72 -13.983 11.343 -0.262 554 HA2 GLY 72 HA2 GLY 72 -16.264 10.788 -0.212 555 HA3 GLY 72 HA1 GLY 72 -16.183 10.393 -1.921 556 H ARG 73 HN ARG 73 -17.245 8.427 -1.655 557 HA ARG 73 HA ARG 73 -15.633 6.333 -0.388 558 HB2 ARG 73 HB1 ARG 73 -17.722 5.201 0.271 559 HB3 ARG 73 HB2 ARG 73 -17.559 6.777 1.033 560 HG2 ARG 73 HG2 ARG 73 -18.981 7.563 -1.032 561 HG3 ARG 73 HG1 ARG 73 -19.466 5.867 -1.056 562 HD2 ARG 73 HD2 ARG 73 -21.044 7.113 0.263 563 HD3 ARG 73 HD1 ARG 73 -20.108 6.061 1.326 564 HE ARG 73 HE ARG 73 -18.775 8.449 1.357 565 HH11 ARG 73 HH11 ARG 73 -22.027 7.418 2.072 566 HH12 ARG 73 HH12 ARG 73 -22.296 8.656 3.252 567 HH21 ARG 73 HH21 ARG 73 -19.122 10.082 2.907 568 HH22 ARG 73 HH22 ARG 73 -20.645 10.170 3.727 569 H LEU 74 HN LEU 74 -15.360 4.522 -1.535 570 HA LEU 74 HA LEU 74 -16.809 4.234 -4.077 571 HB2 LEU 74 HB2 LEU 74 -13.910 3.503 -3.798 572 HB3 LEU 74 HB1 LEU 74 -14.845 3.716 -5.264 573 HG LEU 74 HG LEU 74 -15.026 6.204 -4.401 574 HD11 LEU 74 HD11 LEU 74 -13.918 5.792 -2.268 575 HD12 LEU 74 HD12 LEU 74 -12.994 6.921 -3.258 576 HD13 LEU 74 HD13 LEU 74 -12.475 5.242 -3.119 577 HD21 LEU 74 HD21 LEU 74 -14.037 5.576 -6.511 578 HD22 LEU 74 HD22 LEU 74 -12.579 5.013 -5.694 579 HD23 LEU 74 HD23 LEU 74 -12.984 6.728 -5.689 580 H GLU 75 HN GLU 75 -17.004 2.082 -4.873 581 HA GLU 75 HA GLU 75 -17.066 0.107 -2.735 582 HB2 GLU 75 HB2 GLU 75 -18.139 -1.219 -4.803 583 HB3 GLU 75 HB1 GLU 75 -19.064 -0.129 -3.783 584 HG2 GLU 75 HG2 GLU 75 -19.584 0.299 -6.081 585 HG3 GLU 75 HG1 GLU 75 -18.700 1.673 -5.420 586 H ILE 76 HN ILE 76 -15.142 -0.803 -2.409 587 HA ILE 76 HA ILE 76 -13.665 -1.811 -4.744 588 HB ILE 76 HB ILE 76 -12.799 -0.671 -2.152 589 HG12 ILE 76 HG12 ILE 76 -12.620 0.393 -4.460 590 HG13 ILE 76 HG11 ILE 76 -11.155 0.397 -3.483 591 HG21 ILE 76 HG21 ILE 76 -11.920 -2.846 -1.790 592 HG22 ILE 76 HG22 ILE 76 -10.582 -1.839 -2.343 593 HG23 ILE 76 HG23 ILE 76 -11.357 -2.964 -3.454 594 HD11 ILE 76 HD11 ILE 76 -11.763 -1.582 -5.664 595 HD12 ILE 76 HD12 ILE 76 -10.260 -1.440 -4.752 596 HD13 ILE 76 HD13 ILE 76 -10.755 -0.147 -5.845 597 H GLU 77 HN GLU 77 -14.086 -3.872 -5.107 598 HA GLU 77 HA GLU 77 -14.813 -5.674 -2.961 599 HB2 GLU 77 HB2 GLU 77 -14.427 -6.259 -5.902 600 HB3 GLU 77 HB1 GLU 77 -15.197 -7.310 -4.721 601 HG2 GLU 77 HG1 GLU 77 -16.984 -5.690 -4.420 602 HG3 GLU 77 HG2 GLU 77 -16.207 -4.605 -5.572 603 H VAL 78 HN VAL 78 -13.446 -6.971 -1.916 604 HA VAL 78 HA VAL 78 -10.685 -7.116 -2.866 605 HB VAL 78 HB VAL 78 -11.717 -7.980 -0.173 606 HG11 VAL 78 HG11 VAL 78 -9.413 -7.495 0.504 607 HG12 VAL 78 HG12 VAL 78 -9.023 -7.105 -1.171 608 HG13 VAL 78 HG13 VAL 78 -9.507 -8.744 -0.736 609 HG21 VAL 78 HG21 VAL 78 -12.413 -5.675 -0.488 610 HG22 VAL 78 HG22 VAL 78 -10.786 -5.231 -1.004 611 HG23 VAL 78 HG23 VAL 78 -11.074 -5.749 0.657 612 H ASN 79 HN ASN 79 -10.632 -8.830 -4.330 613 HA ASN 79 HA ASN 79 -12.043 -11.266 -3.861 614 HB2 ASN 79 HB2 ASN 79 -9.722 -10.984 -5.750 615 HB3 ASN 79 HB1 ASN 79 -11.155 -11.995 -5.907 616 HD21 ASN 79 HD21 ASN 79 -9.854 -8.796 -6.219 617 HD22 ASN 79 HD22 ASN 79 -11.162 -8.132 -7.132 618 H GLY 80 HN GLY 80 -8.711 -10.193 -3.409 619 HA2 GLY 80 HA1 GLY 80 -7.340 -12.490 -2.951 620 HA3 GLY 80 HA2 GLY 80 -7.076 -11.031 -2.011 621 H ASN 81 HN ASN 81 -9.947 -11.315 -1.047 622 HA ASN 81 HA ASN 81 -9.741 -13.658 0.670 623 HB2 ASN 81 HB1 ASN 81 -10.483 -11.932 2.580 624 HB3 ASN 81 HB2 ASN 81 -8.799 -12.339 2.268 625 HD21 ASN 81 HD21 ASN 81 -10.668 -9.866 2.983 626 HD22 ASN 81 HD22 ASN 81 -9.863 -8.586 2.154 627 H GLY 82 HN GLY 82 -11.490 -12.027 -1.427 628 HA2 GLY 82 HA1 GLY 82 -13.702 -12.078 -2.012 629 HA3 GLY 82 HA2 GLY 82 -13.928 -13.272 -0.746 630 H PHE 83 HN PHE 83 -12.583 -10.355 0.399 631 HA PHE 83 HA PHE 83 -15.029 -9.773 1.806 632 HB2 PHE 83 HB2 PHE 83 -12.984 -9.606 3.057 633 HB3 PHE 83 HB1 PHE 83 -12.292 -8.498 1.875 634 HD1 PHE 83 HD1 PHE 83 -15.338 -8.736 4.024 635 HD2 PHE 83 HD2 PHE 83 -12.236 -6.286 2.447 636 HE1 PHE 83 HE1 PHE 83 -16.202 -6.823 5.308 637 HE2 PHE 83 HE2 PHE 83 -13.093 -4.368 3.729 638 HZ PHE 83 HZ PHE 83 -15.079 -4.636 5.161 639 H ARG 84 HN ARG 84 -16.511 -8.977 0.371 640 HA ARG 84 HA ARG 84 -15.840 -6.785 -1.392 641 HB2 ARG 84 HB1 ARG 84 -17.510 -8.561 -1.990 642 HB3 ARG 84 HB2 ARG 84 -18.565 -7.929 -0.732 643 HG2 ARG 84 HG1 ARG 84 -18.545 -5.736 -1.925 644 HG3 ARG 84 HG2 ARG 84 -17.670 -6.528 -3.238 645 HD2 ARG 84 HD1 ARG 84 -20.002 -6.487 -3.795 646 HD3 ARG 84 HD2 ARG 84 -19.540 -8.149 -3.433 647 HE ARG 84 HE ARG 84 -20.526 -6.915 -1.101 648 HH11 ARG 84 HH11 ARG 84 -21.610 -8.138 -4.179 649 HH12 ARG 84 HH12 ARG 84 -23.205 -8.507 -3.615 650 HH21 ARG 84 HH21 ARG 84 -22.623 -7.395 -0.352 651 HH22 ARG 84 HH22 ARG 84 -23.782 -8.084 -1.439 652 H GLY 85 HN GLY 85 -15.594 -4.797 -0.555 653 HA2 GLY 85 HA2 GLY 85 -17.692 -3.721 1.129 654 HA3 GLY 85 HA1 GLY 85 -16.157 -3.917 1.956 655 H GLU 86 HN GLU 86 -17.941 -1.611 0.874 656 HA GLU 86 HA GLU 86 -16.220 -0.168 -0.900 657 HB2 GLU 86 HB1 GLU 86 -18.444 0.927 0.833 658 HB3 GLU 86 HB2 GLU 86 -17.762 1.671 -0.607 659 HG2 GLU 86 HG2 GLU 86 -18.638 -0.167 -1.965 660 HG3 GLU 86 HG1 GLU 86 -19.341 -0.890 -0.519 661 H LEU 87 HN LEU 87 -14.704 1.380 -0.420 662 HA LEU 87 HA LEU 87 -14.434 2.414 2.256 663 HB2 LEU 87 HB2 LEU 87 -13.349 0.126 2.266 664 HB3 LEU 87 HB1 LEU 87 -12.166 0.772 1.147 665 HG LEU 87 HG LEU 87 -11.439 2.397 2.824 666 HD11 LEU 87 HD21 LEU 87 -13.548 2.719 3.993 667 HD12 LEU 87 HD22 LEU 87 -12.274 2.255 5.123 668 HD13 LEU 87 HD23 LEU 87 -13.474 1.068 4.609 669 HD21 LEU 87 HD11 LEU 87 -10.350 0.217 2.729 670 HD22 LEU 87 HD12 LEU 87 -11.533 -0.430 3.867 671 HD23 LEU 87 HD13 LEU 87 -10.408 0.825 4.384 672 H SER 88 HN SER 88 -12.910 4.128 2.417 673 HA SER 88 HA SER 88 -12.685 5.672 0.040 674 HB2 SER 88 HB2 SER 88 -11.465 7.284 1.482 675 HB3 SER 88 HB1 SER 88 -12.988 6.758 2.200 676 HG SER 88 HG SER 88 -11.042 5.092 2.959 677 H ALA 89 HN ALA 89 -10.747 6.447 -0.952 678 HA ALA 89 HA ALA 89 -8.898 4.449 -1.587 679 HB1 ALA 89 HB1 ALA 89 -8.766 7.432 -1.958 680 HB2 ALA 89 HB2 ALA 89 -9.284 6.218 -3.130 681 HB3 ALA 89 HB3 ALA 89 -7.593 6.306 -2.639 682 H ASP 90 HN ASP 90 -9.069 6.363 1.188 683 HA ASP 90 HA ASP 90 -6.233 6.459 1.707 684 HB2 ASP 90 HB1 ASP 90 -7.718 8.245 2.536 685 HB3 ASP 90 HB2 ASP 90 -8.578 7.067 3.524 686 H ALA 91 HN ALA 91 -9.017 4.918 3.329 687 HA ALA 91 HA ALA 91 -7.333 3.157 4.832 688 HB1 ALA 91 HB1 ALA 91 -10.320 3.060 4.410 689 HB2 ALA 91 HB2 ALA 91 -9.490 3.930 5.702 690 HB3 ALA 91 HB3 ALA 91 -9.412 2.168 5.633 691 H ALA 92 HN ALA 92 -8.405 3.136 1.643 692 HA ALA 92 HA ALA 92 -8.436 0.222 1.435 693 HB1 ALA 92 HB1 ALA 92 -9.177 0.564 -0.855 694 HB2 ALA 92 HB2 ALA 92 -8.942 2.305 -0.689 695 HB3 ALA 92 HB3 ALA 92 -10.186 1.489 0.258 696 H GLY 93 HN GLY 93 -6.596 3.054 0.432 697 HA2 GLY 93 HA2 GLY 93 -4.780 1.819 -1.299 698 HA3 GLY 93 HA1 GLY 93 -4.441 3.258 -0.342 699 H ILE 94 HN ILE 94 -5.153 1.589 2.095 700 HA ILE 94 HA ILE 94 -2.514 0.866 2.826 701 HB ILE 94 HB ILE 94 -4.895 -0.279 4.239 702 HG12 ILE 94 HG11 ILE 94 -5.592 2.004 3.769 703 HG13 ILE 94 HG12 ILE 94 -5.174 1.853 5.472 704 HG21 ILE 94 HG21 ILE 94 -2.701 -0.827 5.083 705 HG22 ILE 94 HG22 ILE 94 -3.529 0.231 6.225 706 HG23 ILE 94 HG23 ILE 94 -2.275 0.882 5.170 707 HD11 ILE 94 HD11 ILE 94 -3.348 2.987 3.373 708 HD12 ILE 94 HD12 ILE 94 -3.087 2.968 5.118 709 HD13 ILE 94 HD13 ILE 94 -4.387 3.943 4.429 710 H VAL 95 HN VAL 95 -5.327 -0.930 1.735 711 HA VAL 95 HA VAL 95 -4.100 -3.510 2.004 712 HB VAL 95 HB VAL 95 -6.598 -2.717 0.498 713 HG11 VAL 95 HG21 VAL 95 -5.648 -5.407 1.471 714 HG12 VAL 95 HG22 VAL 95 -5.744 -4.876 -0.208 715 HG13 VAL 95 HG23 VAL 95 -7.218 -5.080 0.738 716 HG21 VAL 95 HG11 VAL 95 -6.283 -3.733 3.321 717 HG22 VAL 95 HG12 VAL 95 -7.814 -3.449 2.491 718 HG23 VAL 95 HG13 VAL 95 -6.742 -2.096 2.850 719 H ALA 96 HN ALA 96 -4.411 -1.096 -0.500 720 HA ALA 96 HA ALA 96 -3.858 -2.762 -2.723 721 HB1 ALA 96 HB1 ALA 96 -3.436 0.205 -2.397 722 HB2 ALA 96 HB2 ALA 96 -4.906 -0.581 -2.973 723 HB3 ALA 96 HB3 ALA 96 -3.424 -0.675 -3.925 724 H THR 97 HN THR 97 -1.770 -0.674 -0.736 725 HA THR 97 HA THR 97 0.603 -1.327 -2.186 726 HB THR 97 HB THR 97 0.557 0.771 -1.028 727 HG1 THR 97 HG1 THR 97 2.612 -0.073 -1.035 728 HG21 THR 97 HG21 THR 97 -1.040 0.075 0.749 729 HG22 THR 97 HG22 THR 97 0.337 0.989 1.360 730 HG23 THR 97 HG23 THR 97 0.285 -0.762 1.558 731 H LEU 98 HN LEU 98 -0.820 -2.423 0.866 732 HA LEU 98 HA LEU 98 1.250 -4.032 1.780 733 HB2 LEU 98 HB2 LEU 98 -1.724 -4.172 2.094 734 HB3 LEU 98 HB1 LEU 98 -0.713 -5.443 2.752 735 HG LEU 98 HG LEU 98 -0.458 -2.517 3.456 736 HD11 LEU 98 HD11 LEU 98 -1.476 -3.119 5.583 737 HD12 LEU 98 HD12 LEU 98 -1.701 -4.776 5.019 738 HD13 LEU 98 HD13 LEU 98 -2.575 -3.455 4.244 739 HD21 LEU 98 HD21 LEU 98 0.962 -3.350 5.277 740 HD22 LEU 98 HD22 LEU 98 1.631 -3.725 3.690 741 HD23 LEU 98 HD23 LEU 98 0.823 -4.983 4.625 742 H PHE 99 HN PHE 99 -1.478 -4.977 -0.319 743 HA PHE 99 HA PHE 99 -0.790 -7.650 -0.655 744 HB2 PHE 99 HB2 PHE 99 -2.448 -5.695 -2.121 745 HB3 PHE 99 HB1 PHE 99 -1.893 -7.072 -3.068 746 HD1 PHE 99 HD1 PHE 99 -3.853 -6.058 -0.115 747 HD2 PHE 99 HD2 PHE 99 -2.772 -9.243 -2.728 748 HE1 PHE 99 HE1 PHE 99 -5.644 -7.450 0.840 749 HE2 PHE 99 HE2 PHE 99 -4.563 -10.636 -1.778 750 HZ PHE 99 HZ PHE 99 -6.001 -9.739 0.008 751 H ALA 100 HN ALA 100 0.592 -4.798 -2.050 752 HA ALA 100 HA ALA 100 1.951 -6.099 -4.202 753 HB1 ALA 100 HB1 ALA 100 2.505 -3.433 -2.902 754 HB2 ALA 100 HB2 ALA 100 1.444 -3.713 -4.283 755 HB3 ALA 100 HB3 ALA 100 3.178 -3.995 -4.432 756 H LEU 101 HN LEU 101 2.745 -5.250 -0.886 757 HA LEU 101 HA LEU 101 5.499 -5.809 -0.972 758 HB2 LEU 101 HB2 LEU 101 3.604 -6.059 1.365 759 HB3 LEU 101 HB1 LEU 101 5.351 -5.972 1.467 760 HG LEU 101 HG LEU 101 3.590 -3.764 0.394 761 HD11 LEU 101 HD11 LEU 101 4.046 -2.616 2.496 762 HD12 LEU 101 HD12 LEU 101 4.927 -4.025 3.085 763 HD13 LEU 101 HD13 LEU 101 3.194 -4.135 2.777 764 HD21 LEU 101 HD21 LEU 101 5.609 -2.400 0.587 765 HD22 LEU 101 HD22 LEU 101 5.843 -3.746 -0.529 766 HD23 LEU 101 HD23 LEU 101 6.522 -3.820 1.098 767 H GLY 102 HN GLY 102 2.722 -7.851 -0.125 768 HA2 GLY 102 HA2 GLY 102 4.171 -10.130 0.641 769 HA3 GLY 102 HA1 GLY 102 2.506 -10.122 0.084 770 H GLN 103 HN GLN 103 3.119 -9.063 -2.559 771 HA GLN 103 HA GLN 103 3.836 -11.573 -3.784 772 HB2 GLN 103 HB1 GLN 103 2.009 -10.231 -4.708 773 HB3 GLN 103 HB2 GLN 103 3.129 -8.916 -5.040 774 HG2 GLN 103 HG2 GLN 103 4.281 -10.217 -6.678 775 HG3 GLN 103 HG1 GLN 103 3.367 -11.662 -6.245 776 HE21 GLN 103 HE22 GLN 103 1.943 -8.490 -6.486 777 HE22 GLN 103 HE21 GLN 103 0.995 -8.805 -7.896 778 H LEU 104 HN LEU 104 5.197 -8.294 -3.715 779 HA LEU 104 HA LEU 104 7.357 -8.771 -5.425 780 HB2 LEU 104 HB2 LEU 104 6.492 -6.550 -4.641 781 HB3 LEU 104 HB1 LEU 104 7.274 -6.852 -3.102 782 HG LEU 104 HG LEU 104 9.450 -6.952 -4.248 783 HD11 LEU 104 HD21 LEU 104 8.639 -7.693 -6.436 784 HD12 LEU 104 HD22 LEU 104 9.642 -6.247 -6.567 785 HD13 LEU 104 HD23 LEU 104 7.886 -6.118 -6.684 786 HD21 LEU 104 HD11 LEU 104 8.709 -4.862 -3.267 787 HD22 LEU 104 HD12 LEU 104 7.850 -4.449 -4.751 788 HD23 LEU 104 HD13 LEU 104 9.611 -4.553 -4.752 789 H ALA 105 HN ALA 105 6.906 -9.341 -2.001 790 HA ALA 105 HA ALA 105 9.641 -9.856 -1.393 791 HB1 ALA 105 HB1 ALA 105 8.801 -10.742 0.717 792 HB2 ALA 105 HB2 ALA 105 7.157 -10.726 0.081 793 HB3 ALA 105 HB3 ALA 105 8.023 -9.209 0.323 794 H ALA 106 HN ALA 106 6.941 -11.828 -2.470 795 HA ALA 106 HA ALA 106 8.251 -14.337 -2.025 796 HB1 ALA 106 HB1 ALA 106 5.842 -13.692 -3.723 797 HB2 ALA 106 HB2 ALA 106 5.815 -14.154 -2.021 798 HB3 ALA 106 HB3 ALA 106 6.368 -15.304 -3.239 799 H GLU 107 HN GLU 107 7.977 -12.090 -4.695 800 HA GLU 107 HA GLU 107 8.799 -13.734 -6.791 801 HB2 GLU 107 HB1 GLU 107 9.109 -10.775 -6.307 802 HB3 GLU 107 HB2 GLU 107 9.598 -11.547 -7.806 803 HG2 GLU 107 HG1 GLU 107 7.300 -12.322 -8.149 804 HG3 GLU 107 HG2 GLU 107 6.818 -11.514 -6.658 805 H ILE 108 HN ILE 108 10.558 -12.430 -4.142 806 HA ILE 108 HA ILE 108 13.054 -13.476 -5.299 807 HB ILE 108 HB ILE 108 14.286 -11.703 -4.045 808 HG12 ILE 108 HG12 ILE 108 11.548 -10.435 -3.785 809 HG13 ILE 108 HG11 ILE 108 12.443 -11.169 -2.457 810 HG21 ILE 108 HG21 ILE 108 13.875 -9.944 -5.682 811 HG22 ILE 108 HG22 ILE 108 12.350 -10.707 -6.132 812 HG23 ILE 108 HG23 ILE 108 13.876 -11.531 -6.450 813 HD11 ILE 108 HD11 ILE 108 14.216 -9.514 -2.744 814 HD12 ILE 108 HD12 ILE 108 12.655 -8.761 -2.419 815 HD13 ILE 108 HD13 ILE 108 13.303 -8.773 -4.059 816 H ALA 109 HN ALA 109 10.994 -14.562 -3.421 817 HA ALA 109 HA ALA 109 11.790 -14.581 -0.773 818 HB1 ALA 109 HB1 ALA 109 10.610 -16.874 -2.335 819 HB2 ALA 109 HB2 ALA 109 9.703 -15.572 -1.565 820 HB3 ALA 109 HB3 ALA 109 10.620 -16.713 -0.579 821 H ASP 110 HN ASP 110 13.324 -16.035 -3.498 822 HA ASP 110 HA ASP 110 14.881 -17.909 -1.943 823 HB2 ASP 110 HB2 ASP 110 15.987 -18.423 -4.074 824 HB3 ASP 110 HB1 ASP 110 14.234 -18.458 -4.247 825 H THR 111 HN THR 111 15.004 -14.922 -1.493 826 HA THR 111 HA THR 111 17.924 -14.749 -1.446 827 HB THR 111 HB THR 111 16.335 -12.339 -2.294 828 HG1 THR 111 HG1 THR 111 15.912 -13.722 -3.955 829 HG21 THR 111 HG21 THR 111 19.220 -13.152 -2.673 830 HG22 THR 111 HG22 THR 111 18.620 -11.979 -1.501 831 HG23 THR 111 HG23 THR 111 18.497 -11.643 -3.228 832 H ASP 112 HN ASP 112 18.571 -12.696 -0.169 833 HA ASP 112 HA ASP 112 17.159 -12.798 2.360 834 HB2 ASP 112 HB1 ASP 112 19.037 -11.496 3.222 835 HB3 ASP 112 HB2 ASP 112 19.622 -12.873 2.295 836 H ALA 113 HN ALA 113 17.352 -10.795 -0.386 837 HA ALA 113 HA ALA 113 16.571 -8.329 0.839 838 HB1 ALA 113 HB1 ALA 113 17.783 -8.415 -1.299 839 HB2 ALA 113 HB2 ALA 113 16.275 -7.509 -1.423 840 HB3 ALA 113 HB3 ALA 113 16.371 -9.152 -2.056 841 H ALA 114 HN ALA 114 14.932 -11.158 0.395 842 HA ALA 114 HA ALA 114 12.353 -10.005 -0.277 843 HB1 ALA 114 HB1 ALA 114 11.526 -12.299 -0.134 844 HB2 ALA 114 HB2 ALA 114 13.098 -12.830 0.465 845 HB3 ALA 114 HB3 ALA 114 12.947 -12.193 -1.173 846 H ASP 115 HN ASP 115 14.185 -10.289 2.479 847 HA ASP 115 HA ASP 115 11.837 -10.479 4.231 848 HB2 ASP 115 HB2 ASP 115 14.771 -10.790 4.913 849 HB3 ASP 115 HB1 ASP 115 13.429 -10.968 6.041 850 H ALA 116 HN ALA 116 13.990 -8.281 2.864 851 HA ALA 116 HA ALA 116 14.118 -6.429 5.057 852 HB1 ALA 116 HB1 ALA 116 14.776 -6.052 2.137 853 HB2 ALA 116 HB2 ALA 116 15.908 -6.522 3.405 854 HB3 ALA 116 HB3 ALA 116 15.164 -4.924 3.436 855 H LEU 117 HN LEU 117 12.402 -6.514 1.927 856 HA LEU 117 HA LEU 117 10.947 -4.132 2.412 857 HB2 LEU 117 HB2 LEU 117 9.805 -4.550 0.424 858 HB3 LEU 117 HB1 LEU 117 11.372 -5.283 0.167 859 HG LEU 117 HG LEU 117 9.848 -6.788 -0.761 860 HD11 LEU 117 HD21 LEU 117 10.129 -8.786 0.459 861 HD12 LEU 117 HD22 LEU 117 10.232 -7.922 1.991 862 HD13 LEU 117 HD23 LEU 117 11.536 -7.783 0.814 863 HD21 LEU 117 HD11 LEU 117 8.172 -6.468 1.719 864 HD22 LEU 117 HD12 LEU 117 7.853 -7.627 0.427 865 HD23 LEU 117 HD13 LEU 117 7.792 -5.896 0.094 866 H ILE 118 HN ILE 118 10.667 -7.304 3.570 867 HA ILE 118 HA ILE 118 7.901 -7.511 4.016 868 HB ILE 118 HB ILE 118 10.314 -8.777 5.271 869 HG12 ILE 118 HG12 ILE 118 9.518 -9.601 3.106 870 HG13 ILE 118 HG11 ILE 118 9.310 -10.822 4.356 871 HG21 ILE 118 HG21 ILE 118 8.756 -8.411 7.123 872 HG22 ILE 118 HG22 ILE 118 8.888 -10.125 6.724 873 HG23 ILE 118 HG23 ILE 118 7.476 -9.205 6.207 874 HD11 ILE 118 HD11 ILE 118 7.141 -9.036 3.279 875 HD12 ILE 118 HD12 ILE 118 6.944 -10.294 4.500 876 HD13 ILE 118 HD13 ILE 118 7.399 -10.727 2.852 877 H ASP 119 HN ASP 119 10.478 -5.920 5.749 878 HA ASP 119 HA ASP 119 9.301 -5.455 8.209 879 HB2 ASP 119 HB2 ASP 119 11.388 -4.144 6.573 880 HB3 ASP 119 HB1 ASP 119 10.672 -3.155 7.839 881 H ARG 120 HN ARG 120 9.083 -3.526 5.239 882 HA ARG 120 HA ARG 120 7.571 -1.408 6.189 883 HB2 ARG 120 HB1 ARG 120 7.713 -2.721 3.485 884 HB3 ARG 120 HB2 ARG 120 6.672 -1.335 3.775 885 HG2 ARG 120 HG2 ARG 120 8.715 -0.560 2.823 886 HG3 ARG 120 HG1 ARG 120 8.669 -0.058 4.514 887 HD2 ARG 120 HD2 ARG 120 10.184 -1.794 5.144 888 HD3 ARG 120 HD1 ARG 120 10.094 -2.527 3.543 889 HE ARG 120 HE ARG 120 11.055 -0.143 2.919 890 HH11 ARG 120 HH11 ARG 120 11.937 -2.277 5.528 891 HH12 ARG 120 HH12 ARG 120 13.585 -1.747 5.576 892 HH21 ARG 120 HH21 ARG 120 13.223 0.561 2.974 893 HH22 ARG 120 HH22 ARG 120 14.316 -0.134 4.125 894 H TYR 121 HN TYR 121 6.541 -4.608 5.144 895 HA TYR 121 HA TYR 121 3.781 -4.129 5.094 896 HB2 TYR 121 HB2 TYR 121 4.918 -6.143 4.146 897 HB3 TYR 121 HB1 TYR 121 5.147 -6.735 5.789 898 HD1 TYR 121 HD1 TYR 121 2.917 -6.877 7.220 899 HD2 TYR 121 HD2 TYR 121 3.070 -6.860 2.969 900 HE1 TYR 121 HE1 TYR 121 0.702 -7.943 7.143 901 HE2 TYR 121 HE2 TYR 121 0.855 -7.925 2.879 902 HH TYR 121 HH TYR 121 -1.186 -8.156 5.573 903 H HIS 122 HN HIS 122 5.722 -5.661 7.671 904 HA HIS 122 HA HIS 122 3.683 -5.881 9.552 905 HB2 HIS 122 HB2 HIS 122 6.655 -5.520 9.962 906 HB3 HIS 122 HB1 HIS 122 5.530 -5.949 11.246 907 HD1 HIS 122 HD1 HIS 122 5.220 -8.376 11.615 908 HD2 HIS 122 HD2 HIS 122 6.624 -7.554 7.792 909 HE1 HIS 122 HE1 HIS 122 5.642 -10.618 10.557 910 HE2 HIS 122 HE2 HIS 122 6.410 -10.096 8.215 911 H PHE 123 HN PHE 123 5.983 -3.227 9.037 912 HA PHE 123 HA PHE 123 5.186 -1.642 11.207 913 HB2 PHE 123 HB1 PHE 123 6.400 -0.886 8.547 914 HB3 PHE 123 HB2 PHE 123 6.142 0.267 9.852 915 HD1 PHE 123 HD2 PHE 123 6.924 -1.192 12.225 916 HD2 PHE 123 HD1 PHE 123 8.670 -1.200 8.344 917 HE1 PHE 123 HE2 PHE 123 9.092 -1.815 13.206 918 HE2 PHE 123 HE1 PHE 123 10.842 -1.823 9.319 919 HZ PHE 123 HZ PHE 123 11.056 -2.132 11.753 920 H LEU 124 HN LEU 124 4.237 -1.325 7.778 921 HA LEU 124 HA LEU 124 2.361 0.693 8.095 922 HB2 LEU 124 HB1 LEU 124 3.078 0.097 5.909 923 HB3 LEU 124 HB2 LEU 124 2.535 -1.557 6.104 924 HG LEU 124 HG LEU 124 0.196 -0.792 6.101 925 HD11 LEU 124 HD21 LEU 124 1.387 1.930 5.588 926 HD12 LEU 124 HD22 LEU 124 0.515 1.427 7.036 927 HD13 LEU 124 HD23 LEU 124 -0.326 1.521 5.489 928 HD21 LEU 124 HD11 LEU 124 0.082 -0.157 3.742 929 HD22 LEU 124 HD12 LEU 124 1.231 -1.468 4.009 930 HD23 LEU 124 HD13 LEU 124 1.814 0.177 3.749 931 H ARG 125 HN ARG 125 1.742 -2.813 7.931 932 HA ARG 125 HA ARG 125 -0.940 -2.909 8.327 933 HB2 ARG 125 HB2 ARG 125 0.393 -4.921 8.043 934 HB3 ARG 125 HB1 ARG 125 1.132 -4.690 9.622 935 HG2 ARG 125 HG2 ARG 125 -1.072 -4.990 10.673 936 HG3 ARG 125 HG1 ARG 125 -1.770 -5.287 9.079 937 HD2 ARG 125 HD1 ARG 125 -0.350 -7.235 8.795 938 HD3 ARG 125 HD2 ARG 125 0.424 -6.921 10.348 939 HE ARG 125 HE ARG 125 -2.387 -7.184 10.644 940 HH11 ARG 125 HH11 ARG 125 0.523 -9.035 10.148 941 HH12 ARG 125 HH12 ARG 125 -0.108 -10.465 10.893 942 HH21 ARG 125 HH21 ARG 125 -3.224 -9.060 11.627 943 HH22 ARG 125 HH22 ARG 125 -2.238 -10.480 11.733 944 H GLY 126 HN GLY 126 1.513 -2.406 10.838 945 HA2 GLY 126 HA1 GLY 126 -0.199 -2.473 13.057 946 HA3 GLY 126 HA2 GLY 126 1.349 -1.648 12.991 947 H PHE 127 HN PHE 127 0.632 0.183 10.875 948 HA PHE 127 HA PHE 127 -0.576 2.210 12.466 949 HB2 PHE 127 HB2 PHE 127 1.121 2.766 10.806 950 HB3 PHE 127 HB1 PHE 127 0.095 2.150 9.515 951 HD1 PHE 127 HD2 PHE 127 -0.125 4.610 12.318 952 HD2 PHE 127 HD1 PHE 127 -1.019 3.698 8.258 953 HE1 PHE 127 HE2 PHE 127 -1.116 6.844 12.039 954 HE2 PHE 127 HE1 PHE 127 -2.010 5.932 7.972 955 HZ PHE 127 HZ PHE 127 -2.060 7.509 9.863 956 H ALA 128 HN ALA 128 -1.730 -0.053 10.105 957 HA ALA 128 HA ALA 128 -4.129 1.201 9.371 958 HB1 ALA 128 HB1 ALA 128 -4.858 -1.011 8.649 959 HB2 ALA 128 HB2 ALA 128 -3.528 -1.751 9.538 960 HB3 ALA 128 HB3 ALA 128 -3.193 -0.706 8.158 961 H ALA 129 HN ALA 129 -3.167 -0.390 12.281 962 HA ALA 129 HA ALA 129 -5.798 -1.050 13.197 963 HB1 ALA 129 HB1 ALA 129 -4.726 -1.557 15.311 964 HB2 ALA 129 HB2 ALA 129 -3.247 -0.758 14.781 965 HB3 ALA 129 HB3 ALA 129 -3.787 -2.234 13.981 966 H GLY 130 HN GLY 130 -3.807 1.778 13.231 967 HA2 GLY 130 HA1 GLY 130 -5.222 3.073 15.392 968 HA3 GLY 130 HA2 GLY 130 -4.007 3.802 14.353 969 H HIS 131 HN HIS 131 -5.831 2.540 12.120 970 HA HIS 131 HA HIS 131 -7.237 4.986 11.580 971 HB2 HIS 131 HB2 HIS 131 -6.751 2.420 10.135 972 HB3 HIS 131 HB1 HIS 131 -8.114 3.413 9.622 973 HD1 HIS 131 HD1 HIS 131 -7.494 5.882 8.810 974 HD2 HIS 131 HD2 HIS 131 -4.306 3.252 9.237 975 HE1 HIS 131 HE1 HIS 131 -5.590 6.922 7.539 976 HE2 HIS 131 HE2 HIS 131 -3.714 5.249 7.706 977 HA PRO 132 HA PRO 132 -11.150 3.994 13.382 978 HB2 PRO 132 HB1 PRO 132 -12.816 5.270 11.618 979 HB3 PRO 132 HB2 PRO 132 -11.902 6.098 12.881 980 HG2 PRO 132 HG2 PRO 132 -11.271 5.798 9.972 981 HG3 PRO 132 HG1 PRO 132 -11.101 7.224 11.013 982 HD2 PRO 132 HD2 PRO 132 -8.993 5.691 10.347 983 HD3 PRO 132 HD1 PRO 132 -9.121 6.463 11.940 984 H GLU 133 HN GLU 133 -10.403 3.252 10.091 985 HA GLU 133 HA GLU 133 -12.628 1.338 9.937 986 HB2 GLU 133 HB1 GLU 133 -10.871 2.575 7.827 987 HB3 GLU 133 HB2 GLU 133 -11.888 1.179 7.494 988 HG2 GLU 133 HG1 GLU 133 -13.176 2.969 6.805 989 HG3 GLU 133 HG2 GLU 133 -13.802 2.604 8.411 990 H ALA 134 HN ALA 134 -9.914 1.194 11.326 991 HA ALA 134 HA ALA 134 -8.107 -0.517 10.292 992 HB1 ALA 134 HB1 ALA 134 -7.692 -1.354 12.546 993 HB2 ALA 134 HB2 ALA 134 -9.246 -0.712 13.079 994 HB3 ALA 134 HB3 ALA 134 -7.969 0.388 12.559 995 H ALA 135 HN ALA 135 -11.175 -1.502 11.795 996 HA ALA 135 HA ALA 135 -10.943 -4.226 11.603 997 HB1 ALA 135 HB1 ALA 135 -13.455 -2.619 11.165 998 HB2 ALA 135 HB2 ALA 135 -12.787 -3.072 12.732 999 HB3 ALA 135 HB3 ALA 135 -13.370 -4.318 11.629 1000 H ALA 136 HN ALA 136 -12.177 -2.008 9.107 1001 HA ALA 136 HA ALA 136 -12.723 -4.070 7.227 1002 HB1 ALA 136 HB1 ALA 136 -13.049 -2.266 5.625 1003 HB2 ALA 136 HB2 ALA 136 -12.326 -1.120 6.754 1004 HB3 ALA 136 HB3 ALA 136 -13.852 -1.909 7.154 1005 H ILE 137 HN ILE 137 -9.945 -1.973 7.785 1006 HA ILE 137 HA ILE 137 -8.561 -2.582 5.414 1007 HB ILE 137 HB ILE 137 -7.520 -1.632 8.076 1008 HG12 ILE 137 HG12 ILE 137 -8.069 -0.112 5.519 1009 HG13 ILE 137 HG11 ILE 137 -9.175 -0.177 6.888 1010 HG21 ILE 137 HG21 ILE 137 -6.150 -1.705 5.390 1011 HG22 ILE 137 HG22 ILE 137 -5.732 -2.675 6.804 1012 HG23 ILE 137 HG23 ILE 137 -5.521 -0.925 6.842 1013 HD11 ILE 137 HD11 ILE 137 -6.393 0.962 6.912 1014 HD12 ILE 137 HD12 ILE 137 -7.485 0.880 8.296 1015 HD13 ILE 137 HD13 ILE 137 -7.903 1.876 6.901 1016 H TYR 138 HN TYR 138 -8.126 -3.937 8.713 1017 HA TYR 138 HA TYR 138 -6.045 -5.683 7.908 1018 HB2 TYR 138 HB2 TYR 138 -5.947 -6.367 10.086 1019 HB3 TYR 138 HB1 TYR 138 -6.815 -4.853 10.303 1020 HD1 TYR 138 HD1 TYR 138 -9.213 -4.854 10.813 1021 HD2 TYR 138 HD2 TYR 138 -7.018 -8.482 10.486 1022 HE1 TYR 138 HE1 TYR 138 -11.034 -6.052 11.953 1023 HE2 TYR 138 HE2 TYR 138 -8.832 -9.692 11.621 1024 HH TYR 138 HH TYR 138 -11.903 -8.365 12.108 1025 H ARG 139 HN ARG 139 -9.543 -6.061 8.105 1026 HA ARG 139 HA ARG 139 -9.494 -8.877 7.626 1027 HB2 ARG 139 HB2 ARG 139 -11.873 -8.733 7.393 1028 HB3 ARG 139 HB1 ARG 139 -11.402 -7.655 8.698 1029 HG2 ARG 139 HG2 ARG 139 -11.474 -5.779 7.014 1030 HG3 ARG 139 HG1 ARG 139 -12.237 -6.925 5.908 1031 HD2 ARG 139 HD1 ARG 139 -13.265 -6.084 8.616 1032 HD3 ARG 139 HD2 ARG 139 -13.923 -5.608 7.051 1033 HE ARG 139 HE ARG 139 -13.919 -8.409 7.230 1034 HH11 ARG 139 HH11 ARG 139 -15.522 -5.634 8.597 1035 HH12 ARG 139 HH12 ARG 139 -16.993 -6.485 8.929 1036 HH21 ARG 139 HH21 ARG 139 -15.852 -9.539 7.663 1037 HH22 ARG 139 HH22 ARG 139 -17.181 -8.705 8.399 1038 H ALA 140 HN ALA 140 -9.602 -6.012 5.645 1039 HA ALA 140 HA ALA 140 -10.279 -7.249 3.196 1040 HB1 ALA 140 HB1 ALA 140 -10.449 -4.828 3.565 1041 HB2 ALA 140 HB2 ALA 140 -9.498 -5.218 2.132 1042 HB3 ALA 140 HB3 ALA 140 -8.689 -4.722 3.619 1043 H ILE 141 HN ILE 141 -7.255 -6.840 4.911 1044 HA ILE 141 HA ILE 141 -5.741 -7.913 2.660 1045 HB ILE 141 HB ILE 141 -3.748 -7.515 4.032 1046 HG12 ILE 141 HG12 ILE 141 -5.659 -6.411 6.101 1047 HG13 ILE 141 HG11 ILE 141 -4.843 -7.964 6.229 1048 HG21 ILE 141 HG21 ILE 141 -4.578 -5.717 2.626 1049 HG22 ILE 141 HG22 ILE 141 -3.873 -5.068 4.106 1050 HG23 ILE 141 HG23 ILE 141 -5.625 -5.158 3.930 1051 HD11 ILE 141 HD11 ILE 141 -3.708 -6.301 7.553 1052 HD12 ILE 141 HD12 ILE 141 -3.524 -5.265 6.137 1053 HD13 ILE 141 HD13 ILE 141 -2.682 -6.812 6.214 1054 H ASP 142 HN ASP 142 -7.352 -9.007 5.416 1055 HA ASP 142 HA ASP 142 -5.658 -11.326 5.845 1056 HB2 ASP 142 HB2 ASP 142 -6.709 -10.253 7.779 1057 HB3 ASP 142 HB1 ASP 142 -8.303 -10.553 7.094 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -13.079 3.690 16.351 2 H2 MET 1 HT2 MET 1 -12.409 4.840 15.306 3 H3 MET 1 HT3 MET 1 -13.969 4.247 15.024 4 HA MET 1 HA MET 1 -14.032 6.463 15.958 5 HB2 MET 1 HB1 MET 1 -15.459 5.868 17.987 6 HB3 MET 1 HB2 MET 1 -15.942 5.174 16.447 7 HG2 MET 1 HG1 MET 1 -16.156 3.477 18.070 8 HG3 MET 1 HG2 MET 1 -14.733 3.086 17.108 9 HE1 MET 1 HE1 MET 1 -13.814 1.777 20.697 10 HE2 MET 1 HE2 MET 1 -13.987 1.348 18.995 11 HE3 MET 1 HE3 MET 1 -15.410 1.772 19.947 12 H ASN 2 HN ASN 2 -11.369 5.128 16.734 13 HA ASN 2 HA ASN 2 -10.875 5.558 19.456 14 HB2 ASN 2 HB1 ASN 2 -8.968 5.751 17.112 15 HB3 ASN 2 HB2 ASN 2 -8.482 5.655 18.803 16 HD21 ASN 2 HD22 ASN 2 -7.923 3.860 16.565 17 HD22 ASN 2 HD21 ASN 2 -8.500 2.306 17.051 18 H THR 3 HN THR 3 -9.813 7.286 20.542 19 HA THR 3 HA THR 3 -9.930 9.880 19.158 20 HB THR 3 HB THR 3 -10.805 10.936 21.202 21 HG1 THR 3 HG1 THR 3 -11.702 9.428 22.803 22 HG21 THR 3 HG21 THR 3 -12.491 8.664 20.144 23 HG22 THR 3 HG22 THR 3 -12.390 10.295 19.482 24 HG23 THR 3 HG23 THR 3 -13.104 10.031 21.073 25 H GLU 4 HN GLU 4 -7.979 7.729 20.591 26 HA GLU 4 HA GLU 4 -6.295 9.758 21.899 27 HB2 GLU 4 HB1 GLU 4 -6.279 6.746 22.147 28 HB3 GLU 4 HB2 GLU 4 -5.120 7.814 22.926 29 HG2 GLU 4 HG1 GLU 4 -6.881 8.838 24.224 30 HG3 GLU 4 HG2 GLU 4 -8.092 7.862 23.393 31 H GLU 5 HN GLU 5 -4.126 9.975 21.339 32 HA GLU 5 HA GLU 5 -3.475 9.553 18.633 33 HB2 GLU 5 HB2 GLU 5 -2.509 11.326 20.135 34 HB3 GLU 5 HB1 GLU 5 -1.533 10.072 20.889 35 HG2 GLU 5 HG2 GLU 5 -0.206 11.238 19.274 36 HG3 GLU 5 HG1 GLU 5 -0.508 9.601 18.696 37 H GLN 6 HN GLN 6 -2.194 8.047 17.612 38 HA GLN 6 HA GLN 6 -1.562 5.652 19.204 39 HB2 GLN 6 HB2 GLN 6 -2.171 4.316 17.443 40 HB3 GLN 6 HB1 GLN 6 -3.229 5.688 17.144 41 HG2 GLN 6 HG2 GLN 6 -1.796 6.520 15.435 42 HG3 GLN 6 HG1 GLN 6 -0.539 5.352 15.843 43 HE21 GLN 6 HE21 GLN 6 -0.444 4.403 13.852 44 HE22 GLN 6 HE22 GLN 6 -1.724 3.449 13.192 45 HA PRO 7 HA PRO 7 2.780 5.773 18.368 46 HB2 PRO 7 HB1 PRO 7 2.604 3.147 17.000 47 HB3 PRO 7 HB2 PRO 7 3.583 3.630 18.389 48 HG2 PRO 7 HG1 PRO 7 1.449 2.079 18.718 49 HG3 PRO 7 HG2 PRO 7 1.824 3.362 19.885 50 HD2 PRO 7 HD1 PRO 7 -0.216 3.328 17.694 51 HD3 PRO 7 HD2 PRO 7 -0.351 3.958 19.348 52 H VAL 8 HN VAL 8 3.963 4.205 16.204 53 HA VAL 8 HA VAL 8 4.729 5.817 14.310 54 HB VAL 8 HB VAL 8 3.578 3.103 13.661 55 HG11 VAL 8 HG21 VAL 8 3.925 4.647 11.695 56 HG12 VAL 8 HG22 VAL 8 4.807 3.122 11.641 57 HG13 VAL 8 HG23 VAL 8 5.646 4.610 12.080 58 HG21 VAL 8 HG11 VAL 8 6.400 3.946 14.310 59 HG22 VAL 8 HG12 VAL 8 5.871 2.315 13.896 60 HG23 VAL 8 HG13 VAL 8 5.313 3.071 15.388 61 H THR 9 HN THR 9 4.036 7.064 12.675 62 HA THR 9 HA THR 9 1.324 6.736 11.644 63 HB THR 9 HB THR 9 0.970 9.230 11.796 64 HG1 THR 9 HG1 THR 9 2.614 9.483 13.974 65 HG21 THR 9 HG21 THR 9 1.188 7.739 14.413 66 HG22 THR 9 HG22 THR 9 -0.175 7.666 13.297 67 HG23 THR 9 HG23 THR 9 0.211 9.177 14.121 68 H ALA 10 HN ALA 10 1.027 7.544 9.565 69 HA ALA 10 HA ALA 10 3.469 7.864 8.054 70 HB1 ALA 10 HB1 ALA 10 0.603 7.810 7.115 71 HB2 ALA 10 HB2 ALA 10 1.686 6.421 7.208 72 HB3 ALA 10 HB3 ALA 10 2.034 7.738 6.087 73 H SER 11 HN SER 11 3.190 9.520 6.118 74 HA SER 11 HA SER 11 1.916 12.002 6.802 75 HB2 SER 11 HB1 SER 11 3.888 12.136 8.261 76 HB3 SER 11 HB2 SER 11 4.940 11.858 6.874 77 HG SER 11 HG SER 11 4.861 13.920 6.555 78 H LEU 12 HN LEU 12 2.297 13.678 5.136 79 HA LEU 12 HA LEU 12 2.572 12.411 2.535 80 HB2 LEU 12 HB2 LEU 12 0.677 13.964 3.122 81 HB3 LEU 12 HB1 LEU 12 1.843 15.273 3.140 82 HG LEU 12 HG LEU 12 2.312 14.943 0.779 83 HD11 LEU 12 HD11 LEU 12 1.056 13.319 -0.546 84 HD12 LEU 12 HD12 LEU 12 0.298 12.703 0.923 85 HD13 LEU 12 HD13 LEU 12 2.036 12.523 0.686 86 HD21 LEU 12 HD21 LEU 12 -0.650 15.034 1.333 87 HD22 LEU 12 HD22 LEU 12 0.147 15.589 -0.139 88 HD23 LEU 12 HD23 LEU 12 0.456 16.405 1.394 89 H VAL 13 HN VAL 13 4.406 12.410 1.462 90 HA VAL 13 HA VAL 13 6.653 13.986 2.307 91 HB VAL 13 HB VAL 13 6.498 12.332 -0.207 92 HG11 VAL 13 HG11 VAL 13 8.896 12.051 0.162 93 HG12 VAL 13 HG12 VAL 13 8.792 13.035 1.622 94 HG13 VAL 13 HG13 VAL 13 8.469 13.759 0.047 95 HG21 VAL 13 HG21 VAL 13 7.249 10.418 1.099 96 HG22 VAL 13 HG22 VAL 13 5.682 10.987 1.670 97 HG23 VAL 13 HG23 VAL 13 7.143 11.371 2.578 98 H ALA 14 HN ALA 14 7.868 15.427 0.943 99 HA ALA 14 HA ALA 14 6.387 17.456 -0.237 100 HB1 ALA 14 HB1 ALA 14 9.270 16.753 -0.786 101 HB2 ALA 14 HB2 ALA 14 8.688 17.738 0.556 102 HB3 ALA 14 HB3 ALA 14 8.500 18.307 -1.101 103 H GLU 15 HN GLU 15 6.564 18.205 -2.541 104 HA GLU 15 HA GLU 15 5.725 16.047 -4.269 105 HB2 GLU 15 HB2 GLU 15 5.214 17.855 -5.876 106 HB3 GLU 15 HB1 GLU 15 4.463 18.112 -4.308 107 HG2 GLU 15 HG2 GLU 15 6.341 19.649 -3.743 108 HG3 GLU 15 HG1 GLU 15 6.901 19.485 -5.406 109 H ALA 16 HN ALA 16 8.554 18.018 -3.817 110 HA ALA 16 HA ALA 16 9.698 17.111 -6.350 111 HB1 ALA 16 HB1 ALA 16 11.497 18.690 -5.896 112 HB2 ALA 16 HB2 ALA 16 10.799 19.046 -4.317 113 HB3 ALA 16 HB3 ALA 16 9.922 19.478 -5.785 114 H GLN 17 HN GLN 17 9.486 15.976 -3.251 115 HA GLN 17 HA GLN 17 12.110 14.641 -3.423 116 HB2 GLN 17 HB2 GLN 17 10.454 15.233 -0.965 117 HB3 GLN 17 HB1 GLN 17 11.987 14.373 -0.976 118 HG2 GLN 17 HG2 GLN 17 11.606 17.217 -1.881 119 HG3 GLN 17 HG1 GLN 17 12.184 16.730 -0.289 120 HE21 GLN 17 HE21 GLN 17 12.915 16.816 -3.699 121 HE22 GLN 17 HE22 GLN 17 14.618 16.578 -3.541 122 H ARG 18 HN ARG 18 8.719 14.219 -3.385 123 HA ARG 18 HA ARG 18 8.558 11.607 -2.332 124 HB2 ARG 18 HB1 ARG 18 6.354 11.510 -3.396 125 HB3 ARG 18 HB2 ARG 18 6.593 13.035 -2.556 126 HG2 ARG 18 HG2 ARG 18 7.128 14.105 -4.711 127 HG3 ARG 18 HG1 ARG 18 6.785 12.577 -5.524 128 HD2 ARG 18 HD2 ARG 18 4.834 14.150 -3.846 129 HD3 ARG 18 HD1 ARG 18 4.874 14.116 -5.607 130 HE ARG 18 HE ARG 18 4.574 11.551 -4.289 131 HH11 ARG 18 HH11 ARG 18 3.027 14.253 -5.853 132 HH12 ARG 18 HH12 ARG 18 1.580 13.376 -6.222 133 HH21 ARG 18 HH21 ARG 18 2.673 10.388 -4.771 134 HH22 ARG 18 HH22 ARG 18 1.377 11.180 -5.605 135 H LEU 19 HN LEU 19 9.529 12.802 -5.438 136 HA LEU 19 HA LEU 19 9.160 10.298 -6.785 137 HB2 LEU 19 HB2 LEU 19 10.498 11.369 -8.621 138 HB3 LEU 19 HB1 LEU 19 8.997 12.157 -8.192 139 HG LEU 19 HG LEU 19 10.944 13.667 -8.729 140 HD11 LEU 19 HD21 LEU 19 10.036 15.301 -7.481 141 HD12 LEU 19 HD22 LEU 19 10.127 14.370 -5.989 142 HD13 LEU 19 HD23 LEU 19 8.829 14.060 -7.144 143 HD21 LEU 19 HD11 LEU 19 12.678 12.417 -7.537 144 HD22 LEU 19 HD12 LEU 19 11.903 12.821 -6.005 145 HD23 LEU 19 HD13 LEU 19 12.585 14.099 -7.011 146 H ASP 20 HN ASP 20 11.531 11.557 -4.717 147 HA ASP 20 HA ASP 20 13.485 9.555 -5.639 148 HB2 ASP 20 HB2 ASP 20 14.037 12.116 -5.423 149 HB3 ASP 20 HB1 ASP 20 14.180 11.736 -3.708 150 H PHE 21 HN PHE 21 11.274 10.307 -3.212 151 HA PHE 21 HA PHE 21 12.562 9.114 -0.971 152 HB2 PHE 21 HB2 PHE 21 10.526 10.736 -1.049 153 HB3 PHE 21 HB1 PHE 21 9.581 9.267 -1.279 154 HD1 PHE 21 HD1 PHE 21 11.892 10.991 1.026 155 HD2 PHE 21 HD2 PHE 21 9.070 7.846 0.520 156 HE1 PHE 21 HE1 PHE 21 11.868 10.627 3.460 157 HE2 PHE 21 HE2 PHE 21 9.041 7.476 2.954 158 HZ PHE 21 HZ PHE 21 10.441 8.868 4.426 159 H LEU 22 HN LEU 22 10.226 7.968 -3.373 160 HA LEU 22 HA LEU 22 9.702 5.454 -2.306 161 HB2 LEU 22 HB2 LEU 22 8.914 6.797 -4.536 162 HB3 LEU 22 HB1 LEU 22 9.946 5.569 -5.243 163 HG LEU 22 HG LEU 22 7.656 4.808 -5.259 164 HD11 LEU 22 HD11 LEU 22 9.241 3.366 -3.138 165 HD12 LEU 22 HD12 LEU 22 9.382 3.125 -4.879 166 HD13 LEU 22 HD13 LEU 22 7.885 2.704 -4.049 167 HD21 LEU 22 HD21 LEU 22 6.373 4.503 -3.222 168 HD22 LEU 22 HD22 LEU 22 6.831 6.195 -3.418 169 HD23 LEU 22 HD23 LEU 22 7.696 5.174 -2.269 170 HA PRO 23 HA PRO 23 13.455 3.715 -4.824 171 HB2 PRO 23 HB2 PRO 23 15.301 5.496 -5.708 172 HB3 PRO 23 HB1 PRO 23 13.911 4.998 -6.678 173 HG2 PRO 23 HG2 PRO 23 14.280 7.469 -5.023 174 HG3 PRO 23 HG1 PRO 23 13.598 7.306 -6.652 175 HD2 PRO 23 HD2 PRO 23 12.050 7.551 -4.453 176 HD3 PRO 23 HD1 PRO 23 11.555 6.589 -5.860 177 H THR 24 HN THR 24 13.604 6.304 -2.590 178 HA THR 24 HA THR 24 16.250 5.732 -1.607 179 HB THR 24 HB THR 24 14.061 7.600 -0.740 180 HG1 THR 24 HG1 THR 24 16.326 7.735 -2.236 181 HG21 THR 24 HG21 THR 24 16.696 7.216 0.681 182 HG22 THR 24 HG22 THR 24 15.129 6.694 1.299 183 HG23 THR 24 HG23 THR 24 15.455 8.412 1.060 184 H TYR 25 HN TYR 25 12.960 4.869 -0.730 185 HA TYR 25 HA TYR 25 13.995 3.447 1.629 186 HB2 TYR 25 HB2 TYR 25 11.322 4.608 0.961 187 HB3 TYR 25 HB1 TYR 25 11.426 3.280 2.113 188 HD1 TYR 25 HD1 TYR 25 13.133 6.541 1.435 189 HD2 TYR 25 HD2 TYR 25 11.591 3.844 4.341 190 HE1 TYR 25 HE1 TYR 25 13.725 8.130 3.214 191 HE2 TYR 25 HE2 TYR 25 12.177 5.426 6.129 192 HH TYR 25 HH TYR 25 13.056 8.647 5.520 193 H PHE 26 HN PHE 26 12.652 2.972 -1.487 194 HA PHE 26 HA PHE 26 12.172 0.128 -0.894 195 HB2 PHE 26 HB2 PHE 26 10.454 1.849 -2.072 196 HB3 PHE 26 HB1 PHE 26 11.299 1.249 -3.494 197 HD1 PHE 26 HD2 PHE 26 10.506 -0.648 -0.409 198 HD2 PHE 26 HD1 PHE 26 9.640 -0.026 -4.530 199 HE1 PHE 26 HE2 PHE 26 9.087 -2.658 -0.409 200 HE2 PHE 26 HE1 PHE 26 8.217 -2.034 -4.536 201 HZ PHE 26 HZ PHE 26 7.940 -3.352 -2.474 202 H GLY 27 HN GLY 27 13.823 2.386 -3.000 203 HA2 GLY 27 HA2 GLY 27 16.150 1.495 -3.521 204 HA3 GLY 27 HA1 GLY 27 15.284 0.141 -4.234 205 HA PRO 28 HA PRO 28 15.701 4.177 -7.007 206 HB2 PRO 28 HB1 PRO 28 18.061 3.503 -8.288 207 HB3 PRO 28 HB2 PRO 28 17.922 4.683 -6.980 208 HG2 PRO 28 HG1 PRO 28 18.755 1.813 -6.867 209 HG3 PRO 28 HG2 PRO 28 19.423 3.210 -6.003 210 HD2 PRO 28 HD1 PRO 28 17.786 1.478 -4.783 211 HD3 PRO 28 HD2 PRO 28 17.705 3.219 -4.437 212 H ARG 29 HN ARG 29 16.042 0.765 -7.220 213 HA ARG 29 HA ARG 29 15.333 0.792 -10.060 214 HB2 ARG 29 HB1 ARG 29 17.160 -0.658 -9.643 215 HB3 ARG 29 HB2 ARG 29 16.380 -1.364 -8.235 216 HG2 ARG 29 HG1 ARG 29 16.368 -2.900 -10.120 217 HG3 ARG 29 HG2 ARG 29 14.727 -2.433 -9.670 218 HD2 ARG 29 HD2 ARG 29 14.960 -0.631 -11.485 219 HD3 ARG 29 HD1 ARG 29 16.345 -1.568 -12.044 220 HE ARG 29 HE ARG 29 13.632 -2.709 -11.832 221 HH11 ARG 29 HH11 ARG 29 16.634 -2.231 -13.540 222 HH12 ARG 29 HH12 ARG 29 16.190 -3.251 -14.867 223 HH21 ARG 29 HH21 ARG 29 13.041 -4.053 -13.576 224 HH22 ARG 29 HH22 ARG 29 14.147 -4.287 -14.887 225 H LEU 30 HN LEU 30 14.098 -0.215 -6.888 226 HA LEU 30 HA LEU 30 11.873 -1.636 -7.951 227 HB2 LEU 30 HB2 LEU 30 12.644 -0.650 -5.220 228 HB3 LEU 30 HB1 LEU 30 11.102 -1.426 -5.510 229 HG LEU 30 HG LEU 30 12.358 -3.436 -6.346 230 HD11 LEU 30 HD11 LEU 30 14.725 -1.929 -5.243 231 HD12 LEU 30 HD12 LEU 30 14.449 -2.349 -6.934 232 HD13 LEU 30 HD13 LEU 30 14.729 -3.620 -5.745 233 HD21 LEU 30 HD21 LEU 30 12.883 -2.528 -3.520 234 HD22 LEU 30 HD22 LEU 30 13.036 -4.187 -4.099 235 HD23 LEU 30 HD23 LEU 30 11.461 -3.394 -4.101 236 H MET 31 HN MET 31 12.489 1.671 -7.072 237 HA MET 31 HA MET 31 10.219 2.844 -6.415 238 HB2 MET 31 HB2 MET 31 10.821 4.618 -8.288 239 HB3 MET 31 HB1 MET 31 11.823 4.399 -6.860 240 HG2 MET 31 HG2 MET 31 13.500 3.367 -8.019 241 HG3 MET 31 HG1 MET 31 12.423 2.780 -9.280 242 HE1 MET 31 HE1 MET 31 11.813 5.992 -11.416 243 HE2 MET 31 HE2 MET 31 10.814 5.353 -10.112 244 HE3 MET 31 HE3 MET 31 11.538 4.255 -11.287 245 H MET 32 HN MET 32 10.702 1.412 -9.595 246 HA MET 32 HA MET 32 8.000 2.244 -10.370 247 HB2 MET 32 HB2 MET 32 8.610 1.615 -12.639 248 HB3 MET 32 HB1 MET 32 9.808 2.718 -11.976 249 HG2 MET 32 HG1 MET 32 11.309 0.865 -11.542 250 HG3 MET 32 HG2 MET 32 10.100 -0.271 -12.138 251 HE1 MET 32 HE1 MET 32 12.506 2.682 -13.070 252 HE2 MET 32 HE2 MET 32 10.944 3.285 -13.623 253 HE3 MET 32 HE3 MET 32 12.194 2.870 -14.797 254 H ARG 33 HN ARG 33 10.023 -0.556 -9.784 255 HA ARG 33 HA ARG 33 8.196 -2.520 -10.680 256 HB2 ARG 33 HB2 ARG 33 10.373 -2.783 -8.599 257 HB3 ARG 33 HB1 ARG 33 9.587 -4.106 -9.448 258 HG2 ARG 33 HG1 ARG 33 11.283 -1.970 -10.726 259 HG3 ARG 33 HG2 ARG 33 11.802 -3.616 -10.355 260 HD2 ARG 33 HD1 ARG 33 9.614 -2.809 -12.268 261 HD3 ARG 33 HD2 ARG 33 11.207 -3.432 -12.697 262 HE ARG 33 HE ARG 33 9.999 -5.315 -11.047 263 HH11 ARG 33 HH11 ARG 33 9.494 -3.894 -14.188 264 HH12 ARG 33 HH12 ARG 33 8.713 -5.295 -14.839 265 HH21 ARG 33 HH21 ARG 33 8.971 -7.166 -11.898 266 HH22 ARG 33 HH22 ARG 33 8.416 -7.155 -13.538 267 H GLY 34 HN GLY 34 8.237 -0.526 -7.894 268 HA2 GLY 34 HA2 GLY 34 6.434 -2.363 -6.464 269 HA3 GLY 34 HA1 GLY 34 7.331 -1.045 -5.725 270 H GLU 35 HN GLU 35 6.718 1.017 -7.524 271 HA GLU 35 HA GLU 35 4.289 1.938 -6.498 272 HB2 GLU 35 HB2 GLU 35 4.456 3.757 -8.075 273 HB3 GLU 35 HB1 GLU 35 6.064 3.391 -7.466 274 HG2 GLU 35 HG2 GLU 35 6.613 2.217 -9.497 275 HG3 GLU 35 HG1 GLU 35 4.972 2.434 -10.102 276 H ALA 36 HN ALA 36 5.054 0.251 -9.490 277 HA ALA 36 HA ALA 36 2.395 0.458 -10.549 278 HB1 ALA 36 HB1 ALA 36 4.373 0.232 -11.991 279 HB2 ALA 36 HB2 ALA 36 3.176 -1.027 -12.297 280 HB3 ALA 36 HB3 ALA 36 4.627 -1.397 -11.366 281 H LEU 37 HN LEU 37 4.032 -1.731 -8.419 282 HA LEU 37 HA LEU 37 2.251 -3.934 -8.781 283 HB2 LEU 37 HB2 LEU 37 4.697 -3.528 -7.561 284 HB3 LEU 37 HB1 LEU 37 3.617 -3.831 -6.218 285 HG LEU 37 HG LEU 37 4.725 -5.872 -7.002 286 HD11 LEU 37 HD21 LEU 37 1.770 -5.908 -7.590 287 HD12 LEU 37 HD22 LEU 37 2.470 -5.930 -5.971 288 HD13 LEU 37 HD23 LEU 37 2.771 -7.267 -7.079 289 HD21 LEU 37 HD11 LEU 37 4.133 -6.837 -9.167 290 HD22 LEU 37 HD12 LEU 37 4.968 -5.295 -9.352 291 HD23 LEU 37 HD13 LEU 37 3.220 -5.382 -9.565 292 H VAL 38 HN VAL 38 2.400 -1.210 -6.547 293 HA VAL 38 HA VAL 38 0.423 -2.226 -4.759 294 HB VAL 38 HB VAL 38 0.435 -0.109 -3.688 295 HG11 VAL 38 HG21 VAL 38 3.180 -0.681 -4.793 296 HG12 VAL 38 HG22 VAL 38 2.449 -1.411 -3.363 297 HG13 VAL 38 HG23 VAL 38 2.837 0.309 -3.374 298 HG21 VAL 38 HG11 VAL 38 1.405 1.901 -4.638 299 HG22 VAL 38 HG12 VAL 38 0.126 1.286 -5.685 300 HG23 VAL 38 HG13 VAL 38 1.818 1.029 -6.115 301 H TYR 39 HN TYR 39 0.344 -0.114 -7.576 302 HA TYR 39 HA TYR 39 -2.455 0.467 -7.302 303 HB2 TYR 39 HB2 TYR 39 -2.022 2.060 -8.820 304 HB3 TYR 39 HB1 TYR 39 -0.335 1.572 -8.712 305 HD1 TYR 39 HD1 TYR 39 0.657 0.132 -10.425 306 HD2 TYR 39 HD2 TYR 39 -3.352 1.513 -10.753 307 HE1 TYR 39 HE1 TYR 39 0.653 -0.468 -12.810 308 HE2 TYR 39 HE2 TYR 39 -3.371 0.914 -13.138 309 HH TYR 39 HH TYR 39 -1.737 0.574 -14.964 310 H ALA 40 HN ALA 40 -0.546 -2.011 -8.752 311 HA ALA 40 HA ALA 40 -2.296 -2.947 -10.726 312 HB1 ALA 40 HB1 ALA 40 0.026 -3.685 -10.548 313 HB2 ALA 40 HB2 ALA 40 -1.078 -5.059 -10.562 314 HB3 ALA 40 HB3 ALA 40 -0.352 -4.528 -9.045 315 H TRP 41 HN TRP 41 -2.089 -3.649 -7.270 316 HA TRP 41 HA TRP 41 -4.204 -5.597 -7.344 317 HB2 TRP 41 HB2 TRP 41 -2.753 -4.221 -5.081 318 HB3 TRP 41 HB1 TRP 41 -4.048 -5.384 -4.819 319 HD1 TRP 41 HD1 TRP 41 -0.401 -5.167 -5.950 320 HE1 TRP 41 HE1 TRP 41 0.601 -7.537 -5.931 321 HE3 TRP 41 HE3 TRP 41 -4.666 -7.851 -5.064 322 HZ2 TRP 41 HZ2 TRP 41 -0.296 -10.193 -5.589 323 HZ3 TRP 41 HZ3 TRP 41 -4.505 -10.301 -4.905 324 HH2 TRP 41 HH2 TRP 41 -2.365 -11.446 -5.163 325 H MET 42 HN MET 42 -3.906 -2.178 -6.644 326 HA MET 42 HA MET 42 -6.371 -1.774 -5.366 327 HB2 MET 42 HB2 MET 42 -4.488 -0.148 -5.430 328 HB3 MET 42 HB1 MET 42 -4.867 0.176 -7.116 329 HG2 MET 42 HG2 MET 42 -5.948 1.905 -6.113 330 HG3 MET 42 HG1 MET 42 -7.243 0.711 -6.155 331 HE1 MET 42 HE1 MET 42 -6.927 -1.256 -3.922 332 HE2 MET 42 HE2 MET 42 -8.395 -0.292 -4.083 333 HE3 MET 42 HE3 MET 42 -7.605 -0.440 -2.513 334 H ARG 43 HN ARG 43 -5.505 -1.694 -8.799 335 HA ARG 43 HA ARG 43 -8.120 -0.860 -9.631 336 HB2 ARG 43 HB2 ARG 43 -7.287 -1.271 -11.915 337 HB3 ARG 43 HB1 ARG 43 -6.195 -0.267 -10.973 338 HG2 ARG 43 HG2 ARG 43 -4.710 -1.680 -11.971 339 HG3 ARG 43 HG1 ARG 43 -5.021 -2.555 -10.471 340 HD2 ARG 43 HD2 ARG 43 -5.083 -4.055 -12.392 341 HD3 ARG 43 HD1 ARG 43 -6.662 -3.952 -11.615 342 HE ARG 43 HE ARG 43 -6.448 -2.082 -13.737 343 HH11 ARG 43 HH11 ARG 43 -6.909 -5.473 -13.081 344 HH12 ARG 43 HH12 ARG 43 -7.782 -5.769 -14.548 345 HH21 ARG 43 HH21 ARG 43 -7.598 -2.462 -15.668 346 HH22 ARG 43 HH22 ARG 43 -8.173 -4.058 -16.018 347 H ARG 44 HN ARG 44 -6.912 -3.807 -8.585 348 HA ARG 44 HA ARG 44 -8.679 -5.403 -10.274 349 HB2 ARG 44 HB1 ARG 44 -6.616 -6.136 -8.200 350 HB3 ARG 44 HB2 ARG 44 -7.678 -7.323 -8.943 351 HG2 ARG 44 HG1 ARG 44 -6.772 -6.822 -11.127 352 HG3 ARG 44 HG2 ARG 44 -5.765 -5.544 -10.441 353 HD2 ARG 44 HD2 ARG 44 -4.502 -7.617 -10.833 354 HD3 ARG 44 HD1 ARG 44 -4.538 -7.164 -9.129 355 HE ARG 44 HE ARG 44 -6.652 -8.937 -9.653 356 HH11 ARG 44 HH11 ARG 44 -3.174 -8.894 -9.455 357 HH12 ARG 44 HH12 ARG 44 -3.052 -10.554 -8.975 358 HH21 ARG 44 HH21 ARG 44 -6.502 -11.123 -9.021 359 HH22 ARG 44 HH22 ARG 44 -4.944 -11.821 -8.730 360 H LEU 45 HN LEU 45 -8.214 -4.597 -6.869 361 HA LEU 45 HA LEU 45 -10.212 -6.138 -5.733 362 HB2 LEU 45 HB2 LEU 45 -9.580 -3.320 -4.877 363 HB3 LEU 45 HB1 LEU 45 -10.264 -4.601 -3.901 364 HG LEU 45 HG LEU 45 -7.464 -4.601 -5.023 365 HD11 LEU 45 HD21 LEU 45 -6.776 -4.282 -2.689 366 HD12 LEU 45 HD22 LEU 45 -8.468 -4.109 -2.224 367 HD13 LEU 45 HD23 LEU 45 -7.722 -2.920 -3.292 368 HD21 LEU 45 HD11 LEU 45 -8.305 -6.848 -4.801 369 HD22 LEU 45 HD12 LEU 45 -8.882 -6.507 -3.171 370 HD23 LEU 45 HD13 LEU 45 -7.152 -6.527 -3.505 371 H CYS 46 HN CYS 46 -10.516 -3.348 -7.747 372 HA CYS 46 HA CYS 46 -13.430 -3.389 -7.333 373 HB2 CYS 46 HB2 CYS 46 -12.575 -1.261 -6.573 374 HB3 CYS 46 HB1 CYS 46 -11.653 -1.052 -8.057 375 HG CYS 46 HG CYS 46 -15.021 -1.353 -8.297 376 H GLU 47 HN GLU 47 -14.717 -3.517 -9.129 377 HA GLU 47 HA GLU 47 -13.479 -4.504 -11.527 378 HB2 GLU 47 HB1 GLU 47 -15.764 -4.837 -12.325 379 HB3 GLU 47 HB2 GLU 47 -15.576 -5.469 -10.695 380 HG2 GLU 47 HG2 GLU 47 -16.718 -3.597 -9.759 381 HG3 GLU 47 HG1 GLU 47 -16.736 -2.766 -11.314 382 H ARG 48 HN ARG 48 -14.858 -1.515 -10.428 383 HA ARG 48 HA ARG 48 -14.449 -0.355 -13.107 384 HB2 ARG 48 HB1 ARG 48 -16.307 0.613 -10.924 385 HB3 ARG 48 HB2 ARG 48 -16.115 1.338 -12.515 386 HG2 ARG 48 HG2 ARG 48 -17.001 -0.664 -13.562 387 HG3 ARG 48 HG1 ARG 48 -17.145 -1.441 -11.984 388 HD2 ARG 48 HD1 ARG 48 -19.291 -0.541 -12.777 389 HD3 ARG 48 HD2 ARG 48 -18.759 0.218 -11.276 390 HE ARG 48 HE ARG 48 -17.879 1.751 -13.464 391 HH11 ARG 48 HH11 ARG 48 -20.803 0.904 -11.769 392 HH12 ARG 48 HH12 ARG 48 -21.615 2.380 -12.169 393 HH21 ARG 48 HH21 ARG 48 -18.939 3.698 -13.994 394 HH22 ARG 48 HH22 ARG 48 -20.556 3.969 -13.433 395 H TYR 49 HN TYR 49 -12.205 -0.554 -11.822 396 HA TYR 49 HA TYR 49 -11.749 2.025 -10.481 397 HB2 TYR 49 HB2 TYR 49 -11.326 -0.270 -9.284 398 HB3 TYR 49 HB1 TYR 49 -9.852 -0.280 -10.247 399 HD1 TYR 49 HD2 TYR 49 -8.569 2.098 -10.166 400 HD2 TYR 49 HD1 TYR 49 -11.151 0.557 -7.163 401 HE1 TYR 49 HE2 TYR 49 -7.474 3.537 -8.497 402 HE2 TYR 49 HE1 TYR 49 -10.068 1.984 -5.484 403 HH TYR 49 HH TYR 49 -7.891 3.135 -5.169 404 H ASN 50 HN ASN 50 -11.199 3.294 -12.207 405 HA ASN 50 HA ASN 50 -9.458 2.422 -14.289 406 HB2 ASN 50 HB1 ASN 50 -10.461 5.158 -13.494 407 HB3 ASN 50 HB2 ASN 50 -9.453 4.867 -14.910 408 HD21 ASN 50 HD21 ASN 50 -12.565 4.300 -13.442 409 HD22 ASN 50 HD22 ASN 50 -13.389 3.859 -14.896 410 H GLY 51 HN GLY 51 -9.042 4.585 -11.486 411 HA2 GLY 51 HA1 GLY 51 -6.605 3.868 -10.623 412 HA3 GLY 51 HA2 GLY 51 -6.200 4.838 -12.030 413 H ALA 52 HN ALA 52 -5.065 6.039 -10.245 414 HA ALA 52 HA ALA 52 -6.323 8.477 -9.744 415 HB1 ALA 52 HB1 ALA 52 -7.724 7.325 -8.159 416 HB2 ALA 52 HB2 ALA 52 -6.601 8.365 -7.284 417 HB3 ALA 52 HB3 ALA 52 -6.315 6.628 -7.364 418 H TYR 53 HN TYR 53 -5.075 9.595 -7.716 419 HA TYR 53 HA TYR 53 -2.264 9.300 -8.404 420 HB2 TYR 53 HB2 TYR 53 -3.869 11.413 -6.999 421 HB3 TYR 53 HB1 TYR 53 -2.113 11.398 -6.890 422 HD1 TYR 53 HD1 TYR 53 -1.015 10.936 -9.367 423 HD2 TYR 53 HD2 TYR 53 -4.705 12.888 -8.551 424 HE1 TYR 53 HE1 TYR 53 -0.861 12.117 -11.522 425 HE2 TYR 53 HE2 TYR 53 -4.565 14.072 -10.701 426 HH TYR 53 HH TYR 53 -2.415 13.200 -13.143 427 H TRP 54 HN TRP 54 -1.424 7.605 -7.320 428 HA TRP 54 HA TRP 54 -2.021 7.058 -4.576 429 HB2 TRP 54 HB2 TRP 54 0.395 5.889 -5.866 430 HB3 TRP 54 HB1 TRP 54 -0.836 5.115 -4.869 431 HD1 TRP 54 HD1 TRP 54 -3.328 4.827 -6.211 432 HE1 TRP 54 HE1 TRP 54 -3.714 4.087 -8.643 433 HE3 TRP 54 HE3 TRP 54 1.314 5.820 -8.107 434 HZ2 TRP 54 HZ2 TRP 54 -2.244 3.941 -11.049 435 HZ3 TRP 54 HZ3 TRP 54 1.743 5.350 -10.483 436 HH2 TRP 54 HH2 TRP 54 -0.001 4.430 -11.923 437 H HIS 55 HN HIS 55 -1.474 9.200 -3.768 438 HA HIS 55 HA HIS 55 0.947 10.457 -3.797 439 HB2 HIS 55 HB2 HIS 55 -0.934 10.220 -1.441 440 HB3 HIS 55 HB1 HIS 55 0.344 11.419 -1.602 441 HD1 HIS 55 HD1 HIS 55 -0.098 13.424 -3.126 442 HD2 HIS 55 HD2 HIS 55 -3.188 10.647 -3.084 443 HE1 HIS 55 HE1 HIS 55 -2.031 14.554 -4.271 444 HE2 HIS 55 HE2 HIS 55 -3.866 12.828 -4.302 445 H TYR 56 HN TYR 56 2.839 10.358 -2.697 446 HA TYR 56 HA TYR 56 3.493 7.793 -1.518 447 HB2 TYR 56 HB1 TYR 56 5.218 10.212 -2.099 448 HB3 TYR 56 HB2 TYR 56 5.817 8.664 -1.512 449 HD1 TYR 56 HD2 TYR 56 4.320 6.740 -3.122 450 HD2 TYR 56 HD1 TYR 56 6.059 10.450 -4.259 451 HE1 TYR 56 HE2 TYR 56 4.517 5.931 -5.435 452 HE2 TYR 56 HE1 TYR 56 6.258 9.654 -6.577 453 HH TYR 56 HH TYR 56 6.406 7.444 -7.757 454 H TYR 57 HN TYR 57 3.639 7.390 0.589 455 HA TYR 57 HA TYR 57 3.527 9.685 2.433 456 HB2 TYR 57 HB2 TYR 57 2.153 7.020 2.530 457 HB3 TYR 57 HB1 TYR 57 2.455 7.922 4.012 458 HD1 TYR 57 HD1 TYR 57 0.625 7.917 0.819 459 HD2 TYR 57 HD2 TYR 57 1.220 9.907 4.531 460 HE1 TYR 57 HE1 TYR 57 -1.404 9.249 0.424 461 HE2 TYR 57 HE2 TYR 57 -0.803 11.243 4.148 462 HH TYR 57 HH TYR 57 -2.182 11.997 2.242 463 H ALA 58 HN ALA 58 4.802 9.712 4.215 464 HA ALA 58 HA ALA 58 6.915 7.669 4.324 465 HB1 ALA 58 HB1 ALA 58 7.706 9.934 3.848 466 HB2 ALA 58 HB2 ALA 58 8.298 9.364 5.409 467 HB3 ALA 58 HB3 ALA 58 6.959 10.511 5.339 468 H LEU 59 HN LEU 59 6.765 6.266 5.934 469 HA LEU 59 HA LEU 59 5.110 6.894 8.243 470 HB2 LEU 59 HB2 LEU 59 6.174 4.417 6.997 471 HB3 LEU 59 HB1 LEU 59 5.842 4.378 8.721 472 HG LEU 59 HG LEU 59 3.783 5.285 6.722 473 HD11 LEU 59 HD11 LEU 59 4.484 3.053 6.064 474 HD12 LEU 59 HD12 LEU 59 2.864 3.027 6.761 475 HD13 LEU 59 HD13 LEU 59 4.243 2.478 7.713 476 HD21 LEU 59 HD21 LEU 59 3.593 4.193 9.525 477 HD22 LEU 59 HD22 LEU 59 2.228 4.642 8.502 478 HD23 LEU 59 HD23 LEU 59 3.370 5.874 9.039 479 H SER 60 HN SER 60 5.821 6.731 10.380 480 HA SER 60 HA SER 60 8.495 7.666 10.792 481 HB2 SER 60 HB2 SER 60 6.653 8.549 12.129 482 HB3 SER 60 HB1 SER 60 6.337 6.944 12.786 483 HG SER 60 HG SER 60 8.897 7.476 13.183 484 H ASP 61 HN ASP 61 7.077 4.570 10.698 485 HA ASP 61 HA ASP 61 8.805 3.296 12.591 486 HB2 ASP 61 HB1 ASP 61 6.548 2.432 11.763 487 HB3 ASP 61 HB2 ASP 61 7.393 1.931 10.301 488 H GLY 62 HN GLY 62 9.094 4.314 9.329 489 HA2 GLY 62 HA1 GLY 62 11.441 4.478 8.549 490 HA3 GLY 62 HA2 GLY 62 11.635 2.819 9.097 491 H GLY 63 HN GLY 63 8.616 2.880 7.932 492 HA2 GLY 63 HA1 GLY 63 9.500 1.888 5.310 493 HA3 GLY 63 HA2 GLY 63 7.989 1.470 6.105 494 H PHE 64 HN PHE 64 6.691 2.036 4.370 495 HA PHE 64 HA PHE 64 5.761 4.669 4.264 496 HB2 PHE 64 HB2 PHE 64 6.561 5.467 2.141 497 HB3 PHE 64 HB1 PHE 64 7.964 5.027 3.111 498 HD1 PHE 64 HD1 PHE 64 9.151 2.887 2.646 499 HD2 PHE 64 HD2 PHE 64 6.110 4.409 0.088 500 HE1 PHE 64 HE1 PHE 64 9.931 1.407 0.842 501 HE2 PHE 64 HE2 PHE 64 6.884 2.931 -1.719 502 HZ PHE 64 HZ PHE 64 8.796 1.428 -1.343 503 H TYR 65 HN TYR 65 3.911 4.872 2.978 504 HA TYR 65 HA TYR 65 3.170 2.539 1.361 505 HB2 TYR 65 HB2 TYR 65 1.219 2.088 2.478 506 HB3 TYR 65 HB1 TYR 65 2.204 2.649 3.823 507 HD1 TYR 65 HD1 TYR 65 1.851 4.918 4.753 508 HD2 TYR 65 HD2 TYR 65 -0.698 3.302 1.753 509 HE1 TYR 65 HE1 TYR 65 0.159 6.624 5.279 510 HE2 TYR 65 HE2 TYR 65 -2.394 5.008 2.268 511 HH TYR 65 HH TYR 65 -3.030 6.455 4.167 512 H MET 66 HN MET 66 1.351 2.939 -0.097 513 HA MET 66 HA MET 66 1.214 5.770 -0.931 514 HB2 MET 66 HB2 MET 66 1.163 3.248 -2.594 515 HB3 MET 66 HB1 MET 66 0.805 4.847 -3.231 516 HG2 MET 66 HG1 MET 66 3.001 5.586 -2.918 517 HG3 MET 66 HG2 MET 66 3.392 4.242 -1.848 518 HE1 MET 66 HE1 MET 66 1.376 4.039 -5.179 519 HE2 MET 66 HE2 MET 66 2.623 3.645 -6.363 520 HE3 MET 66 HE3 MET 66 2.588 5.244 -5.616 521 H ALA 67 HN ALA 67 -0.734 6.678 -1.271 522 HA ALA 67 HA ALA 67 -3.108 4.942 -1.163 523 HB1 ALA 67 HB1 ALA 67 -2.739 6.013 1.029 524 HB2 ALA 67 HB2 ALA 67 -4.242 6.530 0.267 525 HB3 ALA 67 HB3 ALA 67 -2.834 7.592 0.250 526 HA PRO 68 HA PRO 68 -3.909 7.076 -5.032 527 HB2 PRO 68 HB2 PRO 68 -6.626 5.978 -4.538 528 HB3 PRO 68 HB1 PRO 68 -5.598 5.837 -5.966 529 HG2 PRO 68 HG1 PRO 68 -5.943 3.774 -4.307 530 HG3 PRO 68 HG2 PRO 68 -4.379 4.083 -5.081 531 HD2 PRO 68 HD2 PRO 68 -5.242 4.602 -2.272 532 HD3 PRO 68 HD1 PRO 68 -3.662 4.080 -2.891 533 H ASP 69 HN ASP 69 -5.304 8.812 -5.749 534 HA ASP 69 HA ASP 69 -6.340 10.371 -3.494 535 HB2 ASP 69 HB2 ASP 69 -4.597 11.426 -4.887 536 HB3 ASP 69 HB1 ASP 69 -5.644 11.273 -6.295 537 H LEU 70 HN LEU 70 -8.363 9.382 -3.297 538 HA LEU 70 HA LEU 70 -10.295 10.295 -5.294 539 HB2 LEU 70 HB1 LEU 70 -10.065 7.456 -4.306 540 HB3 LEU 70 HB2 LEU 70 -11.492 8.085 -5.105 541 HG LEU 70 HG LEU 70 -8.738 7.946 -6.339 542 HD11 LEU 70 HD11 LEU 70 -9.727 5.729 -5.978 543 HD12 LEU 70 HD12 LEU 70 -9.627 6.138 -7.690 544 HD13 LEU 70 HD13 LEU 70 -11.173 6.243 -6.848 545 HD21 LEU 70 HD21 LEU 70 -9.943 8.466 -8.428 546 HD22 LEU 70 HD22 LEU 70 -10.023 9.775 -7.248 547 HD23 LEU 70 HD23 LEU 70 -11.414 8.719 -7.489 548 H ALA 71 HN ALA 71 -11.579 11.590 -4.195 549 HA ALA 71 HA ALA 71 -12.133 11.086 -1.376 550 HB1 ALA 71 HB1 ALA 71 -13.104 13.316 -1.354 551 HB2 ALA 71 HB2 ALA 71 -12.912 13.432 -3.104 552 HB3 ALA 71 HB3 ALA 71 -11.490 13.345 -2.064 553 H GLY 72 HN GLY 72 -13.783 9.806 -0.885 554 HA2 GLY 72 HA2 GLY 72 -16.381 10.145 -1.072 555 HA3 GLY 72 HA1 GLY 72 -16.059 9.611 -2.715 556 H ARG 73 HN ARG 73 -17.548 7.866 -2.161 557 HA ARG 73 HA ARG 73 -16.415 5.806 -0.420 558 HB2 ARG 73 HB1 ARG 73 -19.164 5.997 -1.667 559 HB3 ARG 73 HB2 ARG 73 -18.633 4.759 -0.537 560 HG2 ARG 73 HG2 ARG 73 -18.353 6.431 1.200 561 HG3 ARG 73 HG1 ARG 73 -18.815 7.704 0.069 562 HD2 ARG 73 HD1 ARG 73 -21.023 6.714 -0.172 563 HD3 ARG 73 HD2 ARG 73 -20.566 5.398 0.909 564 HE ARG 73 HE ARG 73 -20.474 8.144 1.916 565 HH11 ARG 73 HH11 ARG 73 -21.946 4.985 1.910 566 HH12 ARG 73 HH12 ARG 73 -22.847 5.260 3.364 567 HH21 ARG 73 HH21 ARG 73 -21.660 8.515 3.831 568 HH22 ARG 73 HH22 ARG 73 -22.686 7.265 4.454 569 H LEU 74 HN LEU 74 -15.079 4.498 -1.449 570 HA LEU 74 HA LEU 74 -15.618 3.770 -4.240 571 HB2 LEU 74 HB1 LEU 74 -13.119 3.351 -2.601 572 HB3 LEU 74 HB2 LEU 74 -13.298 3.014 -4.311 573 HG LEU 74 HG LEU 74 -13.513 5.764 -3.084 574 HD11 LEU 74 HD11 LEU 74 -11.227 4.488 -4.577 575 HD12 LEU 74 HD12 LEU 74 -11.255 4.874 -2.857 576 HD13 LEU 74 HD13 LEU 74 -11.312 6.170 -4.052 577 HD21 LEU 74 HD21 LEU 74 -13.289 6.502 -5.436 578 HD22 LEU 74 HD22 LEU 74 -14.771 5.598 -5.127 579 HD23 LEU 74 HD23 LEU 74 -13.417 4.818 -5.943 580 H GLU 75 HN GLU 75 -16.691 1.935 -4.540 581 HA GLU 75 HA GLU 75 -16.901 -0.087 -2.536 582 HB2 GLU 75 HB2 GLU 75 -17.793 0.086 -5.410 583 HB3 GLU 75 HB1 GLU 75 -18.025 -1.370 -4.454 584 HG2 GLU 75 HG1 GLU 75 -18.996 1.249 -3.411 585 HG3 GLU 75 HG2 GLU 75 -19.922 0.395 -4.645 586 H ILE 76 HN ILE 76 -14.743 -0.722 -2.138 587 HA ILE 76 HA ILE 76 -13.329 -2.046 -4.332 588 HB ILE 76 HB ILE 76 -12.478 -0.957 -1.685 589 HG12 ILE 76 HG12 ILE 76 -12.338 0.276 -3.906 590 HG13 ILE 76 HG11 ILE 76 -10.848 0.195 -2.973 591 HG21 ILE 76 HG21 ILE 76 -10.269 -2.108 -1.989 592 HG22 ILE 76 HG22 ILE 76 -11.053 -3.143 -3.184 593 HG23 ILE 76 HG23 ILE 76 -11.601 -3.160 -1.508 594 HD11 ILE 76 HD11 ILE 76 -10.601 -0.181 -5.428 595 HD12 ILE 76 HD12 ILE 76 -11.500 -1.686 -5.224 596 HD13 ILE 76 HD13 ILE 76 -9.951 -1.466 -4.411 597 H GLU 77 HN GLU 77 -13.952 -4.069 -4.620 598 HA GLU 77 HA GLU 77 -14.650 -5.759 -2.355 599 HB2 GLU 77 HB1 GLU 77 -14.721 -6.335 -5.323 600 HB3 GLU 77 HB2 GLU 77 -15.353 -7.384 -4.061 601 HG2 GLU 77 HG1 GLU 77 -16.982 -5.676 -3.449 602 HG3 GLU 77 HG2 GLU 77 -16.343 -4.616 -4.706 603 H VAL 78 HN VAL 78 -12.895 -6.487 -1.314 604 HA VAL 78 HA VAL 78 -10.433 -7.098 -2.621 605 HB VAL 78 HB VAL 78 -9.979 -8.268 -0.323 606 HG11 VAL 78 HG11 VAL 78 -10.366 -5.282 -0.542 607 HG12 VAL 78 HG12 VAL 78 -8.946 -6.183 -1.073 608 HG13 VAL 78 HG13 VAL 78 -9.354 -6.113 0.640 609 HG21 VAL 78 HG21 VAL 78 -11.303 -7.461 1.501 610 HG22 VAL 78 HG22 VAL 78 -12.338 -8.304 0.350 611 HG23 VAL 78 HG23 VAL 78 -12.329 -6.540 0.404 612 H ASN 79 HN ASN 79 -10.416 -8.762 -4.048 613 HA ASN 79 HA ASN 79 -11.894 -11.167 -3.581 614 HB2 ASN 79 HB2 ASN 79 -10.431 -11.911 -5.617 615 HB3 ASN 79 HB1 ASN 79 -11.699 -10.714 -5.849 616 HD21 ASN 79 HD21 ASN 79 -8.884 -9.703 -4.149 617 HD22 ASN 79 HD22 ASN 79 -8.171 -8.800 -5.435 618 H GLY 80 HN GLY 80 -9.776 -10.310 -1.644 619 HA2 GLY 80 HA2 GLY 80 -7.920 -12.586 -1.866 620 HA3 GLY 80 HA1 GLY 80 -7.648 -11.146 -0.892 621 H ASN 81 HN ASN 81 -10.387 -11.126 0.114 622 HA ASN 81 HA ASN 81 -10.481 -13.571 1.720 623 HB2 ASN 81 HB1 ASN 81 -10.513 -12.484 3.781 624 HB3 ASN 81 HB2 ASN 81 -9.271 -11.602 2.901 625 HD21 ASN 81 HD21 ASN 81 -9.649 -9.504 2.264 626 HD22 ASN 81 HD22 ASN 81 -10.977 -8.579 2.865 627 H GLY 82 HN GLY 82 -11.989 -11.774 -0.418 628 HA2 GLY 82 HA1 GLY 82 -14.156 -11.627 -1.104 629 HA3 GLY 82 HA2 GLY 82 -14.547 -12.800 0.139 630 H PHE 83 HN PHE 83 -13.080 -9.763 1.113 631 HA PHE 83 HA PHE 83 -15.545 -9.146 2.514 632 HB2 PHE 83 HB2 PHE 83 -13.498 -8.869 3.759 633 HB3 PHE 83 HB1 PHE 83 -12.854 -7.776 2.540 634 HD1 PHE 83 HD1 PHE 83 -15.946 -8.062 4.613 635 HD2 PHE 83 HD2 PHE 83 -12.860 -5.558 3.094 636 HE1 PHE 83 HE1 PHE 83 -16.912 -6.148 5.820 637 HE2 PHE 83 HE2 PHE 83 -13.818 -3.639 4.301 638 HZ PHE 83 HZ PHE 83 -15.847 -3.933 5.665 639 H ARG 84 HN ARG 84 -17.009 -8.520 0.987 640 HA ARG 84 HA ARG 84 -16.398 -6.450 -0.919 641 HB2 ARG 84 HB1 ARG 84 -17.999 -8.271 -1.419 642 HB3 ARG 84 HB2 ARG 84 -19.065 -7.661 -0.159 643 HG2 ARG 84 HG1 ARG 84 -19.326 -5.568 -1.391 644 HG3 ARG 84 HG2 ARG 84 -18.260 -6.184 -2.656 645 HD2 ARG 84 HD1 ARG 84 -19.838 -8.040 -3.042 646 HD3 ARG 84 HD2 ARG 84 -20.916 -7.348 -1.831 647 HE ARG 84 HE ARG 84 -20.258 -5.489 -3.900 648 HH11 ARG 84 HH11 ARG 84 -22.333 -8.159 -3.059 649 HH12 ARG 84 HH12 ARG 84 -23.583 -7.705 -4.168 650 HH21 ARG 84 HH21 ARG 84 -21.900 -4.884 -5.364 651 HH22 ARG 84 HH22 ARG 84 -23.338 -5.844 -5.478 652 H GLY 85 HN GLY 85 -16.240 -4.402 -0.331 653 HA2 GLY 85 HA2 GLY 85 -18.317 -3.123 1.180 654 HA3 GLY 85 HA1 GLY 85 -16.825 -3.272 2.096 655 H GLU 86 HN GLU 86 -17.802 -0.800 1.629 656 HA GLU 86 HA GLU 86 -16.189 0.260 -0.589 657 HB2 GLU 86 HB2 GLU 86 -17.571 2.331 -0.284 658 HB3 GLU 86 HB1 GLU 86 -18.476 0.915 -0.800 659 HG2 GLU 86 HG1 GLU 86 -19.112 0.559 1.592 660 HG3 GLU 86 HG2 GLU 86 -18.371 2.118 1.950 661 H LEU 87 HN LEU 87 -14.404 1.359 -0.162 662 HA LEU 87 HA LEU 87 -14.039 2.494 2.530 663 HB2 LEU 87 HB2 LEU 87 -12.209 0.767 0.917 664 HB3 LEU 87 HB1 LEU 87 -11.517 1.979 1.974 665 HG LEU 87 HG LEU 87 -11.527 -0.113 3.126 666 HD11 LEU 87 HD21 LEU 87 -12.042 1.868 4.462 667 HD12 LEU 87 HD22 LEU 87 -12.831 0.426 5.103 668 HD13 LEU 87 HD23 LEU 87 -13.764 1.608 4.182 669 HD21 LEU 87 HD11 LEU 87 -13.598 -1.354 3.574 670 HD22 LEU 87 HD12 LEU 87 -13.229 -1.271 1.852 671 HD23 LEU 87 HD13 LEU 87 -14.480 -0.234 2.535 672 H SER 88 HN SER 88 -12.133 4.071 2.527 673 HA SER 88 HA SER 88 -12.581 5.964 0.370 674 HB2 SER 88 HB2 SER 88 -10.913 6.200 2.891 675 HB3 SER 88 HB1 SER 88 -11.248 7.513 1.761 676 HG SER 88 HG SER 88 -12.820 7.780 3.189 677 H ALA 89 HN ALA 89 -10.629 7.110 -0.552 678 HA ALA 89 HA ALA 89 -9.005 5.329 -1.926 679 HB1 ALA 89 HB1 ALA 89 -8.399 8.221 -1.326 680 HB2 ALA 89 HB2 ALA 89 -9.420 7.643 -2.641 681 HB3 ALA 89 HB3 ALA 89 -7.700 7.253 -2.624 682 H ASP 90 HN ASP 90 -8.598 6.770 1.200 683 HA ASP 90 HA ASP 90 -5.821 6.070 1.444 684 HB2 ASP 90 HB1 ASP 90 -6.855 8.007 2.641 685 HB3 ASP 90 HB2 ASP 90 -7.769 6.863 3.619 686 H ALA 91 HN ALA 91 -8.812 4.954 3.058 687 HA ALA 91 HA ALA 91 -7.645 2.800 4.414 688 HB1 ALA 91 HB1 ALA 91 -10.502 3.029 3.476 689 HB2 ALA 91 HB2 ALA 91 -9.856 3.745 4.953 690 HB3 ALA 91 HB3 ALA 91 -9.896 1.990 4.769 691 H ALA 92 HN ALA 92 -8.371 3.173 1.092 692 HA ALA 92 HA ALA 92 -8.420 0.292 0.612 693 HB1 ALA 92 HB1 ALA 92 -8.992 0.865 -1.684 694 HB2 ALA 92 HB2 ALA 92 -8.757 2.578 -1.332 695 HB3 ALA 92 HB3 ALA 92 -10.072 1.692 -0.559 696 H GLY 93 HN GLY 93 -6.461 3.154 0.151 697 HA2 GLY 93 HA2 GLY 93 -4.543 2.076 -1.608 698 HA3 GLY 93 HA1 GLY 93 -4.284 3.431 -0.516 699 H ILE 94 HN ILE 94 -5.088 1.636 1.774 700 HA ILE 94 HA ILE 94 -2.473 0.825 2.525 701 HB ILE 94 HB ILE 94 -4.918 -0.312 3.835 702 HG12 ILE 94 HG12 ILE 94 -5.497 2.024 3.484 703 HG13 ILE 94 HG11 ILE 94 -5.128 1.753 5.183 704 HG21 ILE 94 HG21 ILE 94 -2.710 -0.978 4.634 705 HG22 ILE 94 HG22 ILE 94 -3.586 -0.057 5.856 706 HG23 ILE 94 HG23 ILE 94 -2.302 0.714 4.924 707 HD11 ILE 94 HD11 ILE 94 -2.948 2.754 4.900 708 HD12 ILE 94 HD12 ILE 94 -4.211 3.856 4.347 709 HD13 ILE 94 HD13 ILE 94 -3.246 2.960 3.173 710 H VAL 95 HN VAL 95 -5.373 -0.956 1.572 711 HA VAL 95 HA VAL 95 -4.199 -3.535 1.704 712 HB VAL 95 HB VAL 95 -6.614 -2.697 0.097 713 HG11 VAL 95 HG11 VAL 95 -7.328 -5.024 0.471 714 HG12 VAL 95 HG12 VAL 95 -5.783 -5.350 1.258 715 HG13 VAL 95 HG13 VAL 95 -5.827 -4.917 -0.451 716 HG21 VAL 95 HG21 VAL 95 -6.811 -1.939 2.418 717 HG22 VAL 95 HG22 VAL 95 -6.481 -3.579 2.977 718 HG23 VAL 95 HG23 VAL 95 -7.948 -3.238 2.059 719 H ALA 96 HN ALA 96 -4.174 -1.029 -0.678 720 HA ALA 96 HA ALA 96 -3.658 -2.713 -2.934 721 HB1 ALA 96 HB1 ALA 96 -3.199 -0.639 -4.120 722 HB2 ALA 96 HB2 ALA 96 -3.196 0.247 -2.595 723 HB3 ALA 96 HB3 ALA 96 -4.683 -0.504 -3.175 724 H THR 97 HN THR 97 -1.641 -0.623 -0.878 725 HA THR 97 HA THR 97 0.778 -1.336 -2.232 726 HB THR 97 HB THR 97 0.717 0.813 -1.189 727 HG1 THR 97 HG1 THR 97 2.675 -0.672 -0.964 728 HG21 THR 97 HG21 THR 97 0.421 1.156 1.183 729 HG22 THR 97 HG22 THR 97 0.301 -0.583 1.455 730 HG23 THR 97 HG23 THR 97 -0.958 0.259 0.552 731 H LEU 98 HN LEU 98 -0.750 -2.295 0.831 732 HA LEU 98 HA LEU 98 1.286 -3.852 1.883 733 HB2 LEU 98 HB2 LEU 98 -1.702 -4.079 2.052 734 HB3 LEU 98 HB1 LEU 98 -0.660 -5.227 2.868 735 HG LEU 98 HG LEU 98 -0.583 -2.245 3.332 736 HD11 LEU 98 HD11 LEU 98 -1.883 -4.414 4.974 737 HD12 LEU 98 HD12 LEU 98 -2.720 -3.166 4.050 738 HD13 LEU 98 HD13 LEU 98 -1.726 -2.720 5.437 739 HD21 LEU 98 HD21 LEU 98 1.519 -3.387 3.808 740 HD22 LEU 98 HD22 LEU 98 0.667 -4.540 4.837 741 HD23 LEU 98 HD23 LEU 98 0.742 -2.838 5.293 742 H PHE 99 HN PHE 99 -1.376 -4.942 -0.231 743 HA PHE 99 HA PHE 99 -0.600 -7.606 -0.452 744 HB2 PHE 99 HB2 PHE 99 -2.300 -5.763 -2.025 745 HB3 PHE 99 HB1 PHE 99 -1.724 -7.193 -2.874 746 HD1 PHE 99 HD2 PHE 99 -3.647 -6.034 0.058 747 HD2 PHE 99 HD1 PHE 99 -2.634 -9.322 -2.447 748 HE1 PHE 99 HE2 PHE 99 -5.427 -7.375 1.101 749 HE2 PHE 99 HE1 PHE 99 -4.412 -10.667 -1.408 750 HZ PHE 99 HZ PHE 99 -5.811 -9.693 0.369 751 H ALA 100 HN ALA 100 0.506 -4.767 -2.185 752 HA ALA 100 HA ALA 100 1.951 -6.082 -4.219 753 HB1 ALA 100 HB1 ALA 100 3.138 -3.945 -4.488 754 HB2 ALA 100 HB2 ALA 100 2.418 -3.370 -2.984 755 HB3 ALA 100 HB3 ALA 100 1.392 -3.724 -4.374 756 H LEU 101 HN LEU 101 2.796 -5.070 -0.958 757 HA LEU 101 HA LEU 101 5.548 -5.547 -1.043 758 HB2 LEU 101 HB2 LEU 101 3.630 -5.813 1.274 759 HB3 LEU 101 HB1 LEU 101 5.376 -5.781 1.422 760 HG LEU 101 HG LEU 101 3.749 -3.512 0.273 761 HD11 LEU 101 HD21 LEU 101 4.840 -3.880 3.060 762 HD12 LEU 101 HD22 LEU 101 3.139 -3.822 2.597 763 HD13 LEU 101 HD23 LEU 101 4.150 -2.387 2.425 764 HD21 LEU 101 HD11 LEU 101 5.807 -2.226 0.651 765 HD22 LEU 101 HD12 LEU 101 6.049 -3.549 -0.490 766 HD23 LEU 101 HD13 LEU 101 6.620 -3.702 1.173 767 H GLY 102 HN GLY 102 2.856 -7.715 -0.272 768 HA2 GLY 102 HA2 GLY 102 4.485 -9.938 0.431 769 HA3 GLY 102 HA1 GLY 102 2.772 -9.989 0.045 770 H GLN 103 HN GLN 103 3.154 -8.824 -2.628 771 HA GLN 103 HA GLN 103 3.650 -11.279 -4.008 772 HB2 GLN 103 HB2 GLN 103 1.942 -9.785 -4.840 773 HB3 GLN 103 HB1 GLN 103 3.116 -8.492 -5.040 774 HG2 GLN 103 HG2 GLN 103 4.256 -9.774 -6.767 775 HG3 GLN 103 HG1 GLN 103 3.109 -11.095 -6.553 776 HE21 GLN 103 HE21 GLN 103 3.762 -9.371 -8.878 777 HE22 GLN 103 HE22 GLN 103 2.248 -8.716 -9.392 778 H LEU 104 HN LEU 104 5.318 -8.135 -3.916 779 HA LEU 104 HA LEU 104 7.364 -8.768 -5.702 780 HB2 LEU 104 HB1 LEU 104 6.748 -6.498 -4.803 781 HB3 LEU 104 HB2 LEU 104 7.579 -6.932 -3.321 782 HG LEU 104 HG LEU 104 9.669 -7.200 -4.590 783 HD11 LEU 104 HD11 LEU 104 8.040 -6.170 -6.907 784 HD12 LEU 104 HD12 LEU 104 8.717 -7.790 -6.750 785 HD13 LEU 104 HD13 LEU 104 9.788 -6.397 -6.901 786 HD21 LEU 104 HD21 LEU 104 10.047 -4.818 -5.024 787 HD22 LEU 104 HD22 LEU 104 9.177 -5.079 -3.512 788 HD23 LEU 104 HD23 LEU 104 8.307 -4.536 -4.947 789 H ALA 105 HN ALA 105 7.097 -9.218 -2.212 790 HA ALA 105 HA ALA 105 9.743 -10.115 -1.780 791 HB1 ALA 105 HB1 ALA 105 7.256 -10.736 -0.186 792 HB2 ALA 105 HB2 ALA 105 8.297 -9.328 0.033 793 HB3 ALA 105 HB3 ALA 105 8.919 -10.945 0.359 794 H ALA 106 HN ALA 106 6.792 -11.719 -2.773 795 HA ALA 106 HA ALA 106 7.912 -14.370 -2.530 796 HB1 ALA 106 HB1 ALA 106 5.485 -13.850 -2.192 797 HB2 ALA 106 HB2 ALA 106 5.808 -15.166 -3.321 798 HB3 ALA 106 HB3 ALA 106 5.366 -13.571 -3.929 799 H GLU 107 HN GLU 107 7.887 -11.884 -4.867 800 HA GLU 107 HA GLU 107 7.984 -13.356 -7.256 801 HB2 GLU 107 HB1 GLU 107 7.731 -10.840 -6.985 802 HB3 GLU 107 HB2 GLU 107 9.470 -10.780 -6.736 803 HG2 GLU 107 HG2 GLU 107 8.197 -11.948 -9.194 804 HG3 GLU 107 HG1 GLU 107 8.676 -10.257 -9.057 805 H ILE 108 HN ILE 108 10.663 -12.023 -5.321 806 HA ILE 108 HA ILE 108 12.705 -13.305 -6.792 807 HB ILE 108 HB ILE 108 14.133 -12.804 -4.777 808 HG12 ILE 108 HG12 ILE 108 11.530 -11.622 -3.778 809 HG13 ILE 108 HG11 ILE 108 12.426 -12.948 -3.046 810 HG21 ILE 108 HG21 ILE 108 13.944 -11.258 -6.646 811 HG22 ILE 108 HG22 ILE 108 14.059 -10.376 -5.123 812 HG23 ILE 108 HG23 ILE 108 12.500 -10.545 -5.929 813 HD11 ILE 108 HD11 ILE 108 12.747 -10.879 -1.818 814 HD12 ILE 108 HD12 ILE 108 13.369 -10.100 -3.273 815 HD13 ILE 108 HD13 ILE 108 14.262 -11.428 -2.534 816 H ALA 109 HN ALA 109 13.510 -15.302 -6.697 817 HA ALA 109 HA ALA 109 12.246 -17.462 -5.643 818 HB1 ALA 109 HB1 ALA 109 15.234 -17.230 -5.970 819 HB2 ALA 109 HB2 ALA 109 14.089 -17.567 -7.269 820 HB3 ALA 109 HB3 ALA 109 14.289 -18.719 -5.949 821 H ASP 110 HN ASP 110 15.410 -16.778 -4.221 822 HA ASP 110 HA ASP 110 14.281 -16.624 -1.553 823 HB2 ASP 110 HB1 ASP 110 15.764 -18.495 -0.743 824 HB3 ASP 110 HB2 ASP 110 14.406 -19.001 -1.745 825 H THR 111 HN THR 111 15.247 -14.856 -0.831 826 HA THR 111 HA THR 111 18.147 -14.779 -0.686 827 HB THR 111 HB THR 111 18.168 -12.376 -1.496 828 HG1 THR 111 HG1 THR 111 16.411 -11.571 -2.423 829 HG21 THR 111 HG21 THR 111 17.482 -14.520 -3.509 830 HG22 THR 111 HG22 THR 111 19.082 -14.197 -2.842 831 HG23 THR 111 HG23 THR 111 18.294 -12.997 -3.866 832 H ASP 112 HN ASP 112 18.619 -12.348 0.294 833 HA ASP 112 HA ASP 112 17.376 -12.449 2.891 834 HB2 ASP 112 HB1 ASP 112 19.793 -11.980 2.576 835 HB3 ASP 112 HB2 ASP 112 19.375 -10.463 1.790 836 H ALA 113 HN ALA 113 16.747 -10.881 -0.024 837 HA ALA 113 HA ALA 113 15.562 -8.495 1.085 838 HB1 ALA 113 HB1 ALA 113 14.927 -7.981 -1.208 839 HB2 ALA 113 HB2 ALA 113 15.420 -9.596 -1.719 840 HB3 ALA 113 HB3 ALA 113 16.623 -8.456 -1.119 841 H ALA 114 HN ALA 114 14.480 -11.666 0.097 842 HA ALA 114 HA ALA 114 11.725 -11.096 -0.148 843 HB1 ALA 114 HB1 ALA 114 12.793 -13.130 -1.036 844 HB2 ALA 114 HB2 ALA 114 11.387 -13.484 -0.032 845 HB3 ALA 114 HB3 ALA 114 13.011 -13.712 0.616 846 H ASP 115 HN ASP 115 13.698 -11.038 2.547 847 HA ASP 115 HA ASP 115 11.360 -11.245 4.317 848 HB2 ASP 115 HB2 ASP 115 14.158 -12.225 4.936 849 HB3 ASP 115 HB1 ASP 115 12.807 -12.216 6.066 850 H ALA 116 HN ALA 116 13.731 -9.312 3.077 851 HA ALA 116 HA ALA 116 14.136 -7.720 5.484 852 HB1 ALA 116 HB1 ALA 116 15.164 -7.283 2.679 853 HB2 ALA 116 HB2 ALA 116 16.039 -8.096 3.977 854 HB3 ALA 116 HB3 ALA 116 15.646 -6.384 4.117 855 H LEU 117 HN LEU 117 12.804 -7.345 2.210 856 HA LEU 117 HA LEU 117 11.750 -4.765 2.578 857 HB2 LEU 117 HB2 LEU 117 10.668 -5.077 0.527 858 HB3 LEU 117 HB1 LEU 117 12.087 -6.100 0.407 859 HG LEU 117 HG LEU 117 10.347 -7.907 1.352 860 HD11 LEU 117 HD21 LEU 117 8.172 -7.622 0.373 861 HD12 LEU 117 HD22 LEU 117 8.650 -6.080 -0.339 862 HD13 LEU 117 HD23 LEU 117 8.522 -6.240 1.415 863 HD21 LEU 117 HD11 LEU 117 9.943 -8.500 -1.070 864 HD22 LEU 117 HD12 LEU 117 11.626 -8.347 -0.567 865 HD23 LEU 117 HD13 LEU 117 10.855 -7.047 -1.479 866 H ILE 118 HN ILE 118 10.576 -7.962 3.319 867 HA ILE 118 HA ILE 118 7.888 -7.603 3.682 868 HB ILE 118 HB ILE 118 9.881 -9.285 5.171 869 HG12 ILE 118 HG12 ILE 118 9.316 -9.928 2.878 870 HG13 ILE 118 HG11 ILE 118 8.713 -11.120 4.025 871 HG21 ILE 118 HG21 ILE 118 8.111 -8.694 6.771 872 HG22 ILE 118 HG22 ILE 118 8.089 -10.407 6.352 873 HG23 ILE 118 HG23 ILE 118 6.903 -9.312 5.645 874 HD11 ILE 118 HD11 ILE 118 6.475 -10.134 3.842 875 HD12 ILE 118 HD12 ILE 118 7.085 -10.719 2.295 876 HD13 ILE 118 HD13 ILE 118 7.092 -8.991 2.650 877 H ASP 119 HN ASP 119 10.509 -6.409 5.610 878 HA ASP 119 HA ASP 119 9.347 -5.854 8.033 879 HB2 ASP 119 HB2 ASP 119 11.513 -4.652 6.416 880 HB3 ASP 119 HB1 ASP 119 10.860 -3.643 7.699 881 H ARG 120 HN ARG 120 9.251 -3.866 5.089 882 HA ARG 120 HA ARG 120 7.883 -1.673 6.084 883 HB2 ARG 120 HB2 ARG 120 7.971 -2.934 3.355 884 HB3 ARG 120 HB1 ARG 120 7.001 -1.501 3.662 885 HG2 ARG 120 HG1 ARG 120 9.123 -0.857 2.737 886 HG3 ARG 120 HG2 ARG 120 9.028 -0.320 4.415 887 HD2 ARG 120 HD1 ARG 120 10.385 -2.204 5.122 888 HD3 ARG 120 HD2 ARG 120 10.428 -2.818 3.469 889 HE ARG 120 HE ARG 120 11.578 -0.586 2.980 890 HH11 ARG 120 HH11 ARG 120 11.864 -2.323 5.989 891 HH12 ARG 120 HH12 ARG 120 13.441 -1.701 6.346 892 HH21 ARG 120 HH21 ARG 120 13.653 0.237 3.443 893 HH22 ARG 120 HH22 ARG 120 14.457 -0.244 4.901 894 H TYR 121 HN TYR 121 6.631 -4.767 4.952 895 HA TYR 121 HA TYR 121 3.920 -4.138 4.860 896 HB2 TYR 121 HB2 TYR 121 4.859 -6.248 4.000 897 HB3 TYR 121 HB1 TYR 121 5.183 -6.773 5.649 898 HD1 TYR 121 HD1 TYR 121 3.160 -7.006 7.227 899 HD2 TYR 121 HD2 TYR 121 2.809 -6.736 2.995 900 HE1 TYR 121 HE1 TYR 121 0.921 -8.014 7.353 901 HE2 TYR 121 HE2 TYR 121 0.567 -7.740 3.112 902 HH TYR 121 HH TYR 121 -1.127 -8.120 6.048 903 H HIS 122 HN HIS 122 5.638 -5.759 7.537 904 HA HIS 122 HA HIS 122 3.544 -5.703 9.367 905 HB2 HIS 122 HB1 HIS 122 6.526 -5.633 9.863 906 HB3 HIS 122 HB2 HIS 122 5.320 -5.939 11.107 907 HD1 HIS 122 HD1 HIS 122 4.328 -8.271 11.235 908 HD2 HIS 122 HD2 HIS 122 6.825 -7.730 7.958 909 HE1 HIS 122 HE1 HIS 122 4.683 -10.568 10.275 910 HE2 HIS 122 HE2 HIS 122 6.152 -10.209 8.260 911 H PHE 123 HN PHE 123 5.961 -3.259 8.617 912 HA PHE 123 HA PHE 123 5.522 -1.539 10.780 913 HB2 PHE 123 HB1 PHE 123 6.346 -0.883 7.945 914 HB3 PHE 123 HB2 PHE 123 6.439 0.239 9.297 915 HD1 PHE 123 HD2 PHE 123 7.218 -2.582 10.935 916 HD2 PHE 123 HD1 PHE 123 8.814 -0.156 7.822 917 HE1 PHE 123 HE2 PHE 123 9.477 -3.402 11.459 918 HE2 PHE 123 HE1 PHE 123 11.076 -0.974 8.341 919 HZ PHE 123 HZ PHE 123 11.409 -2.597 10.162 920 H LEU 124 HN LEU 124 4.167 -1.305 7.488 921 HA LEU 124 HA LEU 124 2.402 0.806 8.068 922 HB2 LEU 124 HB2 LEU 124 2.997 0.343 5.798 923 HB3 LEU 124 HB1 LEU 124 2.382 -1.295 5.908 924 HG LEU 124 HG LEU 124 0.087 -0.371 6.167 925 HD11 LEU 124 HD21 LEU 124 0.634 1.805 7.078 926 HD12 LEU 124 HD22 LEU 124 -0.290 1.988 5.587 927 HD13 LEU 124 HD23 LEU 124 1.453 2.251 5.583 928 HD21 LEU 124 HD11 LEU 124 0.872 -1.107 3.994 929 HD22 LEU 124 HD12 LEU 124 1.581 0.479 3.691 930 HD23 LEU 124 HD13 LEU 124 -0.169 0.305 3.825 931 H ARG 125 HN ARG 125 1.886 -2.698 7.933 932 HA ARG 125 HA ARG 125 -0.797 -2.901 8.315 933 HB2 ARG 125 HB2 ARG 125 0.728 -4.822 8.070 934 HB3 ARG 125 HB1 ARG 125 1.292 -4.574 9.716 935 HG2 ARG 125 HG2 ARG 125 -0.961 -5.025 10.556 936 HG3 ARG 125 HG1 ARG 125 -1.518 -5.290 8.903 937 HD2 ARG 125 HD2 ARG 125 0.153 -7.120 8.698 938 HD3 ARG 125 HD1 ARG 125 0.538 -6.903 10.405 939 HE ARG 125 HE ARG 125 -2.186 -7.282 10.295 940 HH11 ARG 125 HH11 ARG 125 0.658 -9.072 9.372 941 HH12 ARG 125 HH12 ARG 125 -0.082 -10.620 9.608 942 HH21 ARG 125 HH21 ARG 125 -3.168 -9.317 10.611 943 HH22 ARG 125 HH22 ARG 125 -2.255 -10.759 10.313 944 H GLY 126 HN GLY 126 1.611 -2.103 10.788 945 HA2 GLY 126 HA1 GLY 126 -0.190 -2.270 12.983 946 HA3 GLY 126 HA2 GLY 126 1.375 -1.476 12.984 947 H PHE 127 HN PHE 127 0.649 0.344 10.781 948 HA PHE 127 HA PHE 127 -0.441 2.430 12.371 949 HB2 PHE 127 HB2 PHE 127 1.195 2.941 10.670 950 HB3 PHE 127 HB1 PHE 127 0.164 2.264 9.414 951 HD1 PHE 127 HD1 PHE 127 -0.023 4.862 12.090 952 HD2 PHE 127 HD2 PHE 127 -0.977 3.741 8.098 953 HE1 PHE 127 HE1 PHE 127 -1.009 7.084 11.706 954 HE2 PHE 127 HE2 PHE 127 -1.964 5.961 7.707 955 HZ PHE 127 HZ PHE 127 -1.981 7.636 9.512 956 H ALA 128 HN ALA 128 -1.698 0.540 9.643 957 HA ALA 128 HA ALA 128 -4.188 1.891 9.508 958 HB1 ALA 128 HB1 ALA 128 -3.284 0.650 7.615 959 HB2 ALA 128 HB2 ALA 128 -4.885 0.055 8.057 960 HB3 ALA 128 HB3 ALA 128 -3.446 -0.857 8.516 961 H ALA 129 HN ALA 129 -2.966 -0.244 11.785 962 HA ALA 129 HA ALA 129 -5.334 -1.696 12.419 963 HB1 ALA 129 HB1 ALA 129 -4.153 -2.383 14.427 964 HB2 ALA 129 HB2 ALA 129 -2.923 -1.152 14.144 965 HB3 ALA 129 HB3 ALA 129 -3.098 -2.498 13.019 966 H GLY 130 HN GLY 130 -4.266 1.500 13.101 967 HA2 GLY 130 HA2 GLY 130 -6.293 1.745 15.232 968 HA3 GLY 130 HA1 GLY 130 -4.888 2.785 15.075 969 H HIS 131 HN HIS 131 -6.384 2.060 12.106 970 HA HIS 131 HA HIS 131 -7.228 4.800 11.806 971 HB2 HIS 131 HB2 HIS 131 -6.820 2.478 10.039 972 HB3 HIS 131 HB1 HIS 131 -8.136 3.543 9.558 973 HD1 HIS 131 HD1 HIS 131 -7.037 6.279 10.074 974 HD2 HIS 131 HD2 HIS 131 -4.734 3.209 8.484 975 HE1 HIS 131 HE1 HIS 131 -5.151 7.413 8.859 976 HE2 HIS 131 HE2 HIS 131 -3.832 5.537 7.815 977 HA PRO 132 HA PRO 132 -11.527 4.538 12.741 978 HB2 PRO 132 HB1 PRO 132 -12.694 5.676 10.517 979 HB3 PRO 132 HB2 PRO 132 -11.970 6.590 11.843 980 HG2 PRO 132 HG1 PRO 132 -10.799 5.847 9.189 981 HG3 PRO 132 HG2 PRO 132 -10.695 7.384 10.067 982 HD2 PRO 132 HD2 PRO 132 -8.656 5.656 10.066 983 HD3 PRO 132 HD1 PRO 132 -9.069 6.582 11.525 984 H GLU 133 HN GLU 133 -10.437 3.333 9.652 985 HA GLU 133 HA GLU 133 -12.717 1.469 9.580 986 HB2 GLU 133 HB1 GLU 133 -11.056 2.676 7.385 987 HB3 GLU 133 HB2 GLU 133 -11.970 1.196 7.124 988 HG2 GLU 133 HG1 GLU 133 -13.364 2.892 6.361 989 HG3 GLU 133 HG2 GLU 133 -13.987 2.485 7.958 990 H ALA 134 HN ALA 134 -10.012 1.398 10.945 991 HA ALA 134 HA ALA 134 -8.189 -0.327 9.953 992 HB1 ALA 134 HB1 ALA 134 -7.735 -1.066 12.234 993 HB2 ALA 134 HB2 ALA 134 -9.289 -0.420 12.760 994 HB3 ALA 134 HB3 ALA 134 -8.032 0.672 12.177 995 H ALA 135 HN ALA 135 -11.235 -1.293 11.517 996 HA ALA 135 HA ALA 135 -10.971 -4.017 11.460 997 HB1 ALA 135 HB1 ALA 135 -13.405 -4.138 11.439 998 HB2 ALA 135 HB2 ALA 135 -13.490 -2.454 10.923 999 HB3 ALA 135 HB3 ALA 135 -12.842 -2.857 12.513 1000 H ALA 136 HN ALA 136 -12.075 -1.919 8.818 1001 HA ALA 136 HA ALA 136 -12.574 -4.105 7.040 1002 HB1 ALA 136 HB1 ALA 136 -12.269 -1.175 6.405 1003 HB2 ALA 136 HB2 ALA 136 -13.773 -1.972 6.870 1004 HB3 ALA 136 HB3 ALA 136 -12.973 -2.408 5.359 1005 H ILE 137 HN ILE 137 -9.887 -1.862 7.521 1006 HA ILE 137 HA ILE 137 -8.453 -2.527 5.195 1007 HB ILE 137 HB ILE 137 -7.432 -1.452 7.819 1008 HG12 ILE 137 HG12 ILE 137 -8.065 -0.005 5.240 1009 HG13 ILE 137 HG11 ILE 137 -9.164 -0.091 6.613 1010 HG21 ILE 137 HG21 ILE 137 -6.116 -1.612 5.112 1011 HG22 ILE 137 HG22 ILE 137 -5.605 -2.422 6.594 1012 HG23 ILE 137 HG23 ILE 137 -5.505 -0.666 6.468 1013 HD11 ILE 137 HD11 ILE 137 -7.979 2.011 6.596 1014 HD12 ILE 137 HD12 ILE 137 -6.432 1.165 6.602 1015 HD13 ILE 137 HD13 ILE 137 -7.504 1.053 7.998 1016 H TYR 138 HN TYR 138 -8.009 -3.729 8.550 1017 HA TYR 138 HA TYR 138 -5.858 -5.432 7.848 1018 HB2 TYR 138 HB2 TYR 138 -5.766 -6.010 10.057 1019 HB3 TYR 138 HB1 TYR 138 -6.687 -4.517 10.191 1020 HD1 TYR 138 HD2 TYR 138 -9.187 -4.649 10.450 1021 HD2 TYR 138 HD1 TYR 138 -6.676 -8.067 10.763 1022 HE1 TYR 138 HE2 TYR 138 -10.983 -5.855 11.622 1023 HE2 TYR 138 HE1 TYR 138 -8.463 -9.283 11.935 1024 HH TYR 138 HH TYR 138 -10.472 -8.765 13.272 1025 H ARG 139 HN ARG 139 -9.339 -5.904 7.988 1026 HA ARG 139 HA ARG 139 -9.178 -8.744 7.641 1027 HB2 ARG 139 HB2 ARG 139 -11.548 -8.721 7.440 1028 HB3 ARG 139 HB1 ARG 139 -11.143 -7.514 8.651 1029 HG2 ARG 139 HG2 ARG 139 -11.412 -5.749 6.975 1030 HG3 ARG 139 HG1 ARG 139 -11.843 -6.970 5.773 1031 HD2 ARG 139 HD2 ARG 139 -13.342 -6.318 8.306 1032 HD3 ARG 139 HD1 ARG 139 -13.850 -5.959 6.657 1033 HE ARG 139 HE ARG 139 -13.545 -8.646 6.638 1034 HH11 ARG 139 HH11 ARG 139 -15.294 -6.450 8.702 1035 HH12 ARG 139 HH12 ARG 139 -16.536 -7.595 9.084 1036 HH21 ARG 139 HH21 ARG 139 -15.176 -10.160 7.137 1037 HH22 ARG 139 HH22 ARG 139 -16.468 -9.704 8.197 1038 H ALA 140 HN ALA 140 -9.329 -5.949 5.586 1039 HA ALA 140 HA ALA 140 -10.004 -7.203 3.158 1040 HB1 ALA 140 HB1 ALA 140 -8.352 -4.719 3.594 1041 HB2 ALA 140 HB2 ALA 140 -10.110 -4.782 3.471 1042 HB3 ALA 140 HB3 ALA 140 -9.113 -5.207 2.080 1043 H ILE 141 HN ILE 141 -6.977 -6.825 4.873 1044 HA ILE 141 HA ILE 141 -5.487 -8.001 2.650 1045 HB ILE 141 HB ILE 141 -3.476 -7.527 3.946 1046 HG12 ILE 141 HG11 ILE 141 -5.312 -6.333 6.033 1047 HG13 ILE 141 HG12 ILE 141 -4.540 -7.908 6.187 1048 HG21 ILE 141 HG21 ILE 141 -3.607 -5.080 3.940 1049 HG22 ILE 141 HG22 ILE 141 -5.364 -5.180 3.827 1050 HG23 ILE 141 HG23 ILE 141 -4.361 -5.779 2.507 1051 HD11 ILE 141 HD11 ILE 141 -2.349 -6.843 6.106 1052 HD12 ILE 141 HD12 ILE 141 -3.332 -6.211 7.427 1053 HD13 ILE 141 HD13 ILE 141 -3.123 -5.266 5.953 1054 H ASP 142 HN ASP 142 -7.055 -8.918 5.500 1055 HA ASP 142 HA ASP 142 -5.472 -10.983 6.492 1056 HB2 ASP 142 HB2 ASP 142 -7.458 -10.147 7.659 1057 HB3 ASP 142 HB1 ASP 142 -8.492 -10.811 6.397 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 0.409 -7.951 14.325 2 H2 MET 1 HT2 MET 1 1.081 -6.465 13.880 3 H3 MET 1 HT3 MET 1 -0.510 -6.834 13.447 4 HA MET 1 HA MET 1 -0.523 -5.306 15.272 5 HB2 MET 1 HB2 MET 1 -1.336 -8.136 15.934 6 HB3 MET 1 HB1 MET 1 -1.727 -6.772 16.970 7 HG2 MET 1 HG1 MET 1 -3.626 -7.206 15.631 8 HG3 MET 1 HG2 MET 1 -2.886 -5.727 15.021 9 HE1 MET 1 HE1 MET 1 -5.049 -7.307 13.356 10 HE2 MET 1 HE2 MET 1 -4.314 -7.301 11.752 11 HE3 MET 1 HE3 MET 1 -4.234 -5.859 12.764 12 H ASN 2 HN ASN 2 -0.401 -5.485 17.841 13 HA ASN 2 HA ASN 2 1.960 -6.799 18.827 14 HB2 ASN 2 HB1 ASN 2 2.929 -4.834 17.671 15 HB3 ASN 2 HB2 ASN 2 1.935 -3.775 18.667 16 HD21 ASN 2 HD21 ASN 2 3.426 -6.698 19.859 17 HD22 ASN 2 HD22 ASN 2 4.570 -5.922 20.894 18 H THR 3 HN THR 3 -1.046 -5.546 19.207 19 HA THR 3 HA THR 3 -2.471 -5.355 20.970 20 HB THR 3 HB THR 3 -0.276 -6.447 22.736 21 HG1 THR 3 HG1 THR 3 -2.196 -7.940 21.246 22 HG21 THR 3 HG21 THR 3 -2.162 -7.361 24.018 23 HG22 THR 3 HG22 THR 3 -3.290 -6.607 22.891 24 HG23 THR 3 HG23 THR 3 -2.251 -5.603 23.904 25 H GLU 4 HN GLU 4 0.230 -3.589 20.585 26 HA GLU 4 HA GLU 4 -0.531 -1.736 22.732 27 HB2 GLU 4 HB2 GLU 4 2.304 -2.417 21.931 28 HB3 GLU 4 HB1 GLU 4 1.844 -1.173 23.083 29 HG2 GLU 4 HG2 GLU 4 0.875 -2.881 24.539 30 HG3 GLU 4 HG1 GLU 4 1.351 -4.127 23.385 31 H GLU 5 HN GLU 5 -0.621 0.381 22.155 32 HA GLU 5 HA GLU 5 -0.844 1.080 19.461 33 HB2 GLU 5 HB1 GLU 5 -0.426 2.803 21.906 34 HB3 GLU 5 HB2 GLU 5 -0.777 3.452 20.310 35 HG2 GLU 5 HG1 GLU 5 -2.803 3.385 21.561 36 HG3 GLU 5 HG2 GLU 5 -2.887 2.154 20.301 37 H GLN 6 HN GLN 6 0.540 1.838 17.963 38 HA GLN 6 HA GLN 6 3.370 1.967 18.718 39 HB2 GLN 6 HB2 GLN 6 3.870 1.615 16.376 40 HB3 GLN 6 HB1 GLN 6 2.730 0.393 16.921 41 HG2 GLN 6 HG2 GLN 6 0.938 1.409 15.789 42 HG3 GLN 6 HG1 GLN 6 1.846 2.897 15.525 43 HE21 GLN 6 HE21 GLN 6 1.602 2.892 13.327 44 HE22 GLN 6 HE22 GLN 6 2.375 1.743 12.293 45 HA PRO 7 HA PRO 7 3.256 6.378 18.178 46 HB2 PRO 7 HB2 PRO 7 6.168 6.274 18.075 47 HB3 PRO 7 HB1 PRO 7 5.133 6.992 19.313 48 HG2 PRO 7 HG2 PRO 7 6.589 4.764 19.768 49 HG3 PRO 7 HG1 PRO 7 5.008 5.033 20.526 50 HD2 PRO 7 HD1 PRO 7 5.706 3.343 18.147 51 HD3 PRO 7 HD2 PRO 7 4.618 2.980 19.506 52 H VAL 8 HN VAL 8 4.064 4.174 16.002 53 HA VAL 8 HA VAL 8 5.455 5.708 14.030 54 HB VAL 8 HB VAL 8 3.888 3.159 13.645 55 HG11 VAL 8 HG11 VAL 8 4.419 4.353 11.571 56 HG12 VAL 8 HG12 VAL 8 5.299 2.828 11.695 57 HG13 VAL 8 HG13 VAL 8 6.126 4.353 12.016 58 HG21 VAL 8 HG21 VAL 8 6.811 3.511 14.297 59 HG22 VAL 8 HG22 VAL 8 5.997 1.982 13.959 60 HG23 VAL 8 HG23 VAL 8 5.575 2.907 15.400 61 H THR 9 HN THR 9 4.642 7.111 12.639 62 HA THR 9 HA THR 9 1.872 6.848 11.740 63 HB THR 9 HB THR 9 1.492 9.288 12.012 64 HG1 THR 9 HG1 THR 9 3.078 10.510 12.684 65 HG21 THR 9 HG21 THR 9 2.095 7.807 14.575 66 HG22 THR 9 HG22 THR 9 0.594 7.715 13.656 67 HG23 THR 9 HG23 THR 9 1.064 9.230 14.427 68 H ALA 10 HN ALA 10 1.540 7.464 9.662 69 HA ALA 10 HA ALA 10 3.885 7.945 8.057 70 HB1 ALA 10 HB1 ALA 10 0.990 7.721 7.241 71 HB2 ALA 10 HB2 ALA 10 2.159 6.401 7.286 72 HB3 ALA 10 HB3 ALA 10 2.375 7.731 6.150 73 H SER 11 HN SER 11 3.492 9.562 6.138 74 HA SER 11 HA SER 11 2.124 11.996 6.862 75 HB2 SER 11 HB2 SER 11 4.193 12.247 8.159 76 HB3 SER 11 HB1 SER 11 5.149 11.968 6.703 77 HG SER 11 HG SER 11 4.235 14.261 7.587 78 H LEU 12 HN LEU 12 2.140 13.575 5.124 79 HA LEU 12 HA LEU 12 2.339 12.266 2.547 80 HB2 LEU 12 HB2 LEU 12 0.397 13.715 3.246 81 HB3 LEU 12 HB1 LEU 12 1.471 15.095 3.116 82 HG LEU 12 HG LEU 12 1.775 14.672 0.734 83 HD11 LEU 12 HD11 LEU 12 0.482 12.940 -0.409 84 HD12 LEU 12 HD12 LEU 12 -0.125 12.366 1.145 85 HD13 LEU 12 HD13 LEU 12 1.594 12.238 0.769 86 HD21 LEU 12 HD21 LEU 12 -0.073 16.094 1.428 87 HD22 LEU 12 HD22 LEU 12 -1.126 14.684 1.552 88 HD23 LEU 12 HD23 LEU 12 -0.494 15.178 -0.019 89 H VAL 13 HN VAL 13 4.110 12.312 1.380 90 HA VAL 13 HA VAL 13 6.263 14.134 1.948 91 HB VAL 13 HB VAL 13 6.056 12.190 -0.353 92 HG11 VAL 13 HG11 VAL 13 8.444 13.422 1.016 93 HG12 VAL 13 HG12 VAL 13 7.824 13.858 -0.577 94 HG13 VAL 13 HG13 VAL 13 8.498 12.251 -0.301 95 HG21 VAL 13 HG21 VAL 13 5.681 11.008 1.740 96 HG22 VAL 13 HG22 VAL 13 7.138 11.732 2.425 97 HG23 VAL 13 HG23 VAL 13 7.264 10.603 1.075 98 H ALA 14 HN ALA 14 7.097 15.737 0.609 99 HA ALA 14 HA ALA 14 5.311 17.349 -0.773 100 HB1 ALA 14 HB1 ALA 14 7.263 18.549 -1.613 101 HB2 ALA 14 HB2 ALA 14 8.304 17.209 -1.131 102 HB3 ALA 14 HB3 ALA 14 7.452 18.149 0.095 103 H GLU 15 HN GLU 15 5.010 17.788 -2.997 104 HA GLU 15 HA GLU 15 4.849 15.480 -4.631 105 HB2 GLU 15 HB2 GLU 15 4.116 17.062 -6.399 106 HB3 GLU 15 HB1 GLU 15 3.235 17.253 -4.890 107 HG2 GLU 15 HG2 GLU 15 4.615 19.184 -4.325 108 HG3 GLU 15 HG1 GLU 15 5.502 18.992 -5.835 109 H ALA 16 HN ALA 16 7.186 18.077 -4.368 110 HA ALA 16 HA ALA 16 8.601 17.195 -6.752 111 HB1 ALA 16 HB1 ALA 16 8.362 19.594 -6.309 112 HB2 ALA 16 HB2 ALA 16 10.055 19.102 -6.372 113 HB3 ALA 16 HB3 ALA 16 9.282 19.403 -4.815 114 H GLN 17 HN GLN 17 8.507 16.265 -3.562 115 HA GLN 17 HA GLN 17 11.330 15.426 -3.580 116 HB2 GLN 17 HB2 GLN 17 9.436 15.841 -1.261 117 HB3 GLN 17 HB1 GLN 17 11.054 15.170 -1.109 118 HG2 GLN 17 HG2 GLN 17 10.444 17.903 -2.209 119 HG3 GLN 17 HG1 GLN 17 10.891 17.573 -0.535 120 HE21 GLN 17 HE21 GLN 17 11.983 17.596 -3.844 121 HE22 GLN 17 HE22 GLN 17 13.674 17.554 -3.494 122 H ARG 18 HN ARG 18 8.119 14.371 -3.794 123 HA ARG 18 HA ARG 18 8.447 11.759 -2.681 124 HB2 ARG 18 HB2 ARG 18 6.275 11.276 -3.719 125 HB3 ARG 18 HB1 ARG 18 6.240 12.795 -2.834 126 HG2 ARG 18 HG1 ARG 18 6.451 14.036 -4.910 127 HG3 ARG 18 HG2 ARG 18 6.542 12.524 -5.816 128 HD2 ARG 18 HD2 ARG 18 4.205 13.385 -4.118 129 HD3 ARG 18 HD1 ARG 18 4.296 13.555 -5.870 130 HE ARG 18 HE ARG 18 4.766 10.893 -5.353 131 HH11 ARG 18 HH11 ARG 18 2.192 13.163 -4.754 132 HH12 ARG 18 HH12 ARG 18 0.945 11.963 -4.820 133 HH21 ARG 18 HH21 ARG 18 3.133 9.307 -5.441 134 HH22 ARG 18 HH22 ARG 18 1.480 9.771 -5.210 135 H LEU 19 HN LEU 19 9.323 13.230 -5.619 136 HA LEU 19 HA LEU 19 9.255 10.920 -7.292 137 HB2 LEU 19 HB2 LEU 19 10.717 12.307 -8.781 138 HB3 LEU 19 HB1 LEU 19 9.183 13.040 -8.353 139 HG LEU 19 HG LEU 19 10.610 14.197 -6.467 140 HD11 LEU 19 HD11 LEU 19 12.887 14.692 -7.215 141 HD12 LEU 19 HD12 LEU 19 12.687 13.564 -8.556 142 HD13 LEU 19 HD13 LEU 19 12.663 12.971 -6.895 143 HD21 LEU 19 HD21 LEU 19 9.425 15.390 -8.203 144 HD22 LEU 19 HD22 LEU 19 10.693 15.005 -9.367 145 HD23 LEU 19 HD23 LEU 19 11.042 16.067 -8.004 146 H ASP 20 HN ASP 20 11.491 12.218 -4.993 147 HA ASP 20 HA ASP 20 13.512 10.232 -5.801 148 HB2 ASP 20 HB2 ASP 20 14.086 12.755 -5.677 149 HB3 ASP 20 HB1 ASP 20 14.039 12.525 -3.930 150 H PHE 21 HN PHE 21 11.234 11.054 -3.441 151 HA PHE 21 HA PHE 21 12.441 9.912 -1.143 152 HB2 PHE 21 HB2 PHE 21 10.346 11.463 -1.349 153 HB3 PHE 21 HB1 PHE 21 9.470 9.948 -1.565 154 HD1 PHE 21 HD2 PHE 21 9.303 8.337 0.248 155 HD2 PHE 21 HD1 PHE 21 11.302 12.057 0.769 156 HE1 PHE 21 HE2 PHE 21 9.229 8.031 2.687 157 HE2 PHE 21 HE1 PHE 21 11.234 11.757 3.210 158 HZ PHE 21 HZ PHE 21 10.196 9.742 4.171 159 H LEU 22 HN LEU 22 10.529 8.669 -3.789 160 HA LEU 22 HA LEU 22 9.942 6.141 -2.700 161 HB2 LEU 22 HB2 LEU 22 8.877 7.265 -4.708 162 HB3 LEU 22 HB1 LEU 22 10.289 6.775 -5.623 163 HG LEU 22 HG LEU 22 9.769 4.469 -5.385 164 HD11 LEU 22 HD21 LEU 22 9.109 4.331 -3.110 165 HD12 LEU 22 HD22 LEU 22 7.749 3.755 -4.077 166 HD13 LEU 22 HD23 LEU 22 7.717 5.378 -3.387 167 HD21 LEU 22 HD11 LEU 22 7.539 4.337 -6.386 168 HD22 LEU 22 HD12 LEU 22 8.499 5.635 -7.097 169 HD23 LEU 22 HD13 LEU 22 7.238 6.011 -5.923 170 HA PRO 23 HA PRO 23 13.859 4.540 -5.035 171 HB2 PRO 23 HB2 PRO 23 15.670 6.385 -5.872 172 HB3 PRO 23 HB1 PRO 23 14.348 5.808 -6.892 173 HG2 PRO 23 HG2 PRO 23 14.537 8.325 -5.278 174 HG3 PRO 23 HG1 PRO 23 13.927 8.096 -6.928 175 HD2 PRO 23 HD2 PRO 23 12.285 8.318 -4.795 176 HD3 PRO 23 HD1 PRO 23 11.888 7.308 -6.199 177 H THR 24 HN THR 24 13.723 7.057 -2.760 178 HA THR 24 HA THR 24 16.381 6.582 -1.683 179 HB THR 24 HB THR 24 14.189 8.523 -1.006 180 HG1 THR 24 HG1 THR 24 15.842 8.807 -2.755 181 HG21 THR 24 HG21 THR 24 16.784 8.183 0.496 182 HG22 THR 24 HG22 THR 24 15.191 7.733 1.105 183 HG23 THR 24 HG23 THR 24 15.562 9.425 0.772 184 H TYR 25 HN TYR 25 13.009 6.007 -0.729 185 HA TYR 25 HA TYR 25 13.988 4.642 1.683 186 HB2 TYR 25 HB1 TYR 25 11.399 5.965 0.993 187 HB3 TYR 25 HB2 TYR 25 11.422 4.700 2.218 188 HD1 TYR 25 HD1 TYR 25 13.047 7.929 1.317 189 HD2 TYR 25 HD2 TYR 25 11.987 5.217 4.418 190 HE1 TYR 25 HE1 TYR 25 13.784 9.569 2.996 191 HE2 TYR 25 HE2 TYR 25 12.719 6.849 6.105 192 HH TYR 25 HH TYR 25 13.371 10.092 5.365 193 H PHE 26 HN PHE 26 12.284 4.100 -1.304 194 HA PHE 26 HA PHE 26 11.633 1.364 -0.485 195 HB2 PHE 26 HB2 PHE 26 10.060 3.101 -1.767 196 HB3 PHE 26 HB1 PHE 26 10.872 2.407 -3.168 197 HD1 PHE 26 HD2 PHE 26 9.356 1.147 0.005 198 HD2 PHE 26 HD1 PHE 26 9.743 0.719 -4.211 199 HE1 PHE 26 HE2 PHE 26 7.820 -0.775 0.064 200 HE2 PHE 26 HE1 PHE 26 8.206 -1.203 -4.161 201 HZ PHE 26 HZ PHE 26 7.244 -1.953 -2.021 202 H GLY 27 HN GLY 27 13.446 3.211 -2.869 203 HA2 GLY 27 HA2 GLY 27 15.676 1.996 -3.278 204 HA3 GLY 27 HA1 GLY 27 14.636 0.710 -3.874 205 HA PRO 28 HA PRO 28 15.411 4.380 -6.996 206 HB2 PRO 28 HB1 PRO 28 17.765 3.577 -8.155 207 HB3 PRO 28 HB2 PRO 28 17.658 4.790 -6.876 208 HG2 PRO 28 HG2 PRO 28 18.334 1.881 -6.680 209 HG3 PRO 28 HG1 PRO 28 19.078 3.262 -5.852 210 HD2 PRO 28 HD2 PRO 28 17.311 1.653 -4.617 211 HD3 PRO 28 HD1 PRO 28 17.380 3.397 -4.284 212 H ARG 29 HN ARG 29 15.784 0.936 -6.959 213 HA ARG 29 HA ARG 29 15.027 0.775 -9.782 214 HB2 ARG 29 HB1 ARG 29 16.969 -0.554 -9.059 215 HB3 ARG 29 HB2 ARG 29 15.955 -1.402 -7.900 216 HG2 ARG 29 HG1 ARG 29 15.135 -1.437 -10.753 217 HG3 ARG 29 HG2 ARG 29 16.521 -2.417 -10.268 218 HD2 ARG 29 HD1 ARG 29 15.219 -3.637 -8.702 219 HD3 ARG 29 HD2 ARG 29 13.866 -2.517 -8.856 220 HE ARG 29 HE ARG 29 13.331 -3.480 -10.931 221 HH11 ARG 29 HH11 ARG 29 16.078 -5.003 -9.422 222 HH12 ARG 29 HH12 ARG 29 16.004 -6.417 -10.420 223 HH21 ARG 29 HH21 ARG 29 13.227 -5.338 -12.249 224 HH22 ARG 29 HH22 ARG 29 14.384 -6.608 -12.026 225 H LEU 30 HN LEU 30 13.820 0.120 -6.541 226 HA LEU 30 HA LEU 30 11.649 -1.510 -7.368 227 HB2 LEU 30 HB1 LEU 30 12.370 -0.061 -4.841 228 HB3 LEU 30 HB2 LEU 30 10.835 -0.887 -5.004 229 HG LEU 30 HG LEU 30 12.095 -3.004 -5.454 230 HD11 LEU 30 HD11 LEU 30 14.468 -1.324 -4.655 231 HD12 LEU 30 HD12 LEU 30 14.180 -2.031 -6.246 232 HD13 LEU 30 HD13 LEU 30 14.469 -3.076 -4.854 233 HD21 LEU 30 HD21 LEU 30 12.636 -1.592 -2.846 234 HD22 LEU 30 HD22 LEU 30 12.788 -3.329 -3.111 235 HD23 LEU 30 HD23 LEU 30 11.212 -2.551 -3.250 236 H MET 31 HN MET 31 12.107 1.918 -6.829 237 HA MET 31 HA MET 31 9.758 3.029 -6.416 238 HB2 MET 31 HB2 MET 31 10.421 4.676 -8.391 239 HB3 MET 31 HB1 MET 31 11.309 4.624 -6.874 240 HG2 MET 31 HG2 MET 31 13.098 3.502 -7.805 241 HG3 MET 31 HG1 MET 31 12.150 2.899 -9.160 242 HE1 MET 31 HE1 MET 31 11.387 4.386 -11.208 243 HE2 MET 31 HE2 MET 31 11.737 6.108 -11.361 244 HE3 MET 31 HE3 MET 31 10.627 5.541 -10.112 245 H MET 32 HN MET 32 10.498 1.519 -9.554 246 HA MET 32 HA MET 32 7.796 2.198 -10.438 247 HB2 MET 32 HB1 MET 32 8.516 1.459 -12.661 248 HB3 MET 32 HB2 MET 32 9.574 2.703 -12.011 249 HG2 MET 32 HG1 MET 32 10.273 -0.174 -11.672 250 HG3 MET 32 HG2 MET 32 10.577 0.638 -13.208 251 HE1 MET 32 HE1 MET 32 13.107 0.464 -13.316 252 HE2 MET 32 HE2 MET 32 13.039 -0.615 -11.922 253 HE3 MET 32 HE3 MET 32 14.191 0.721 -11.951 254 H ARG 33 HN ARG 33 9.858 -0.622 -9.848 255 HA ARG 33 HA ARG 33 7.902 -2.500 -10.732 256 HB2 ARG 33 HB2 ARG 33 9.355 -4.195 -9.964 257 HB3 ARG 33 HB1 ARG 33 10.400 -2.911 -10.554 258 HG2 ARG 33 HG2 ARG 33 10.798 -2.163 -8.282 259 HG3 ARG 33 HG1 ARG 33 9.710 -3.407 -7.667 260 HD2 ARG 33 HD1 ARG 33 12.300 -3.848 -9.144 261 HD3 ARG 33 HD2 ARG 33 12.008 -4.125 -7.428 262 HE ARG 33 HE ARG 33 10.216 -5.628 -9.047 263 HH11 ARG 33 HH11 ARG 33 13.489 -5.545 -7.854 264 HH12 ARG 33 HH12 ARG 33 13.706 -7.261 -7.954 265 HH21 ARG 33 HH21 ARG 33 10.493 -7.887 -9.182 266 HH22 ARG 33 HH22 ARG 33 12.004 -8.592 -8.710 267 H GLY 34 HN GLY 34 8.111 -0.553 -7.985 268 HA2 GLY 34 HA2 GLY 34 6.514 -2.425 -6.375 269 HA3 GLY 34 HA1 GLY 34 7.360 -1.012 -5.759 270 H GLU 35 HN GLU 35 6.541 0.917 -7.572 271 HA GLU 35 HA GLU 35 4.056 1.682 -6.534 272 HB2 GLU 35 HB1 GLU 35 4.111 3.509 -8.092 273 HB3 GLU 35 HB2 GLU 35 5.754 3.231 -7.534 274 HG2 GLU 35 HG1 GLU 35 6.283 2.059 -9.591 275 HG3 GLU 35 HG2 GLU 35 4.622 2.257 -10.148 276 H ALA 36 HN ALA 36 4.963 0.022 -9.503 277 HA ALA 36 HA ALA 36 2.320 0.017 -10.604 278 HB1 ALA 36 HB1 ALA 36 4.681 -1.733 -11.284 279 HB2 ALA 36 HB2 ALA 36 4.319 -0.167 -12.011 280 HB3 ALA 36 HB3 ALA 36 3.224 -1.528 -12.255 281 H LEU 37 HN LEU 37 3.930 -1.844 -8.230 282 HA LEU 37 HA LEU 37 2.317 -4.208 -8.529 283 HB2 LEU 37 HB2 LEU 37 4.618 -3.382 -6.981 284 HB3 LEU 37 HB1 LEU 37 3.456 -4.233 -5.983 285 HG LEU 37 HG LEU 37 4.492 -5.343 -8.584 286 HD11 LEU 37 HD21 LEU 37 6.374 -4.995 -7.079 287 HD12 LEU 37 HD22 LEU 37 6.009 -6.712 -7.244 288 HD13 LEU 37 HD23 LEU 37 5.513 -5.840 -5.794 289 HD21 LEU 37 HD11 LEU 37 2.398 -6.296 -7.822 290 HD22 LEU 37 HD12 LEU 37 3.096 -6.602 -6.231 291 HD23 LEU 37 HD13 LEU 37 3.707 -7.464 -7.642 292 H VAL 38 HN VAL 38 2.302 -1.353 -6.464 293 HA VAL 38 HA VAL 38 0.319 -2.345 -4.668 294 HB VAL 38 HB VAL 38 0.240 -0.187 -3.700 295 HG11 VAL 38 HG21 VAL 38 3.025 -0.652 -4.757 296 HG12 VAL 38 HG22 VAL 38 2.319 -1.390 -3.320 297 HG13 VAL 38 HG23 VAL 38 2.607 0.350 -3.367 298 HG21 VAL 38 HG11 VAL 38 -0.129 1.136 -5.699 299 HG22 VAL 38 HG12 VAL 38 1.535 0.864 -6.213 300 HG23 VAL 38 HG13 VAL 38 1.203 1.807 -4.760 301 H TYR 39 HN TYR 39 0.241 -0.396 -7.602 302 HA TYR 39 HA TYR 39 -2.576 0.113 -7.435 303 HB2 TYR 39 HB2 TYR 39 -2.150 1.606 -9.055 304 HB3 TYR 39 HB1 TYR 39 -0.453 1.173 -8.884 305 HD1 TYR 39 HD1 TYR 39 0.591 -0.409 -10.453 306 HD2 TYR 39 HD2 TYR 39 -3.414 0.923 -10.977 307 HE1 TYR 39 HE1 TYR 39 0.638 -1.202 -12.782 308 HE2 TYR 39 HE2 TYR 39 -3.381 0.133 -13.305 309 HH TYR 39 HH TYR 39 -1.744 -0.364 -15.058 310 H ALA 40 HN ALA 40 -0.548 -2.360 -8.786 311 HA ALA 40 HA ALA 40 -2.259 -3.467 -10.694 312 HB1 ALA 40 HB1 ALA 40 -0.272 -4.903 -8.938 313 HB2 ALA 40 HB2 ALA 40 0.092 -4.100 -10.466 314 HB3 ALA 40 HB3 ALA 40 -0.962 -5.514 -10.441 315 H TRP 41 HN TRP 41 -2.103 -3.924 -7.204 316 HA TRP 41 HA TRP 41 -4.133 -5.977 -7.218 317 HB2 TRP 41 HB2 TRP 41 -2.735 -4.486 -4.993 318 HB3 TRP 41 HB1 TRP 41 -3.982 -5.693 -4.703 319 HD1 TRP 41 HD1 TRP 41 -0.345 -5.355 -5.820 320 HE1 TRP 41 HE1 TRP 41 0.758 -7.676 -5.748 321 HE3 TRP 41 HE3 TRP 41 -4.496 -8.200 -4.909 322 HZ2 TRP 41 HZ2 TRP 41 -0.025 -10.359 -5.362 323 HZ3 TRP 41 HZ3 TRP 41 -4.230 -10.638 -4.701 324 HH2 TRP 41 HH2 TRP 41 -2.039 -11.694 -4.925 325 H MET 42 HN MET 42 -3.928 -2.527 -6.679 326 HA MET 42 HA MET 42 -6.426 -2.140 -5.446 327 HB2 MET 42 HB1 MET 42 -4.779 -0.400 -5.363 328 HB3 MET 42 HB2 MET 42 -4.715 -0.300 -7.116 329 HG2 MET 42 HG1 MET 42 -5.952 1.554 -6.059 330 HG3 MET 42 HG2 MET 42 -6.913 0.630 -7.211 331 HE1 MET 42 HE1 MET 42 -6.278 1.521 -3.475 332 HE2 MET 42 HE2 MET 42 -5.927 -0.207 -3.463 333 HE3 MET 42 HE3 MET 42 -7.351 0.410 -2.625 334 H ARG 43 HN ARG 43 -5.501 -1.780 -8.880 335 HA ARG 43 HA ARG 43 -8.040 -1.096 -9.825 336 HB2 ARG 43 HB2 ARG 43 -7.179 -1.791 -12.044 337 HB3 ARG 43 HB1 ARG 43 -6.077 -0.733 -11.174 338 HG2 ARG 43 HG2 ARG 43 -4.606 -2.289 -11.941 339 HG3 ARG 43 HG1 ARG 43 -5.033 -3.022 -10.393 340 HD2 ARG 43 HD1 ARG 43 -5.082 -4.701 -12.126 341 HD3 ARG 43 HD2 ARG 43 -6.719 -4.402 -11.544 342 HE ARG 43 HE ARG 43 -6.142 -2.788 -13.802 343 HH11 ARG 43 HH11 ARG 43 -6.923 -6.057 -12.876 344 HH12 ARG 43 HH12 ARG 43 -7.651 -6.449 -14.398 345 HH21 ARG 43 HH21 ARG 43 -7.097 -3.298 -15.807 346 HH22 ARG 43 HH22 ARG 43 -7.749 -4.881 -16.065 347 H ARG 44 HN ARG 44 -6.835 -4.119 -8.756 348 HA ARG 44 HA ARG 44 -8.737 -5.698 -10.260 349 HB2 ARG 44 HB2 ARG 44 -6.767 -6.402 -8.082 350 HB3 ARG 44 HB1 ARG 44 -7.835 -7.579 -8.840 351 HG2 ARG 44 HG2 ARG 44 -6.815 -7.018 -11.029 352 HG3 ARG 44 HG1 ARG 44 -5.681 -5.961 -10.185 353 HD2 ARG 44 HD1 ARG 44 -4.620 -8.079 -10.588 354 HD3 ARG 44 HD2 ARG 44 -4.920 -7.907 -8.859 355 HE ARG 44 HE ARG 44 -7.100 -9.253 -9.856 356 HH11 ARG 44 HH11 ARG 44 -3.655 -9.765 -9.753 357 HH12 ARG 44 HH12 ARG 44 -3.782 -11.492 -9.738 358 HH21 ARG 44 HH21 ARG 44 -7.277 -11.526 -9.837 359 HH22 ARG 44 HH22 ARG 44 -5.841 -12.494 -9.786 360 H LEU 45 HN LEU 45 -8.585 -4.101 -7.230 361 HA LEU 45 HA LEU 45 -10.526 -5.638 -5.834 362 HB2 LEU 45 HB2 LEU 45 -9.940 -2.735 -5.340 363 HB3 LEU 45 HB1 LEU 45 -10.523 -3.930 -4.206 364 HG LEU 45 HG LEU 45 -7.764 -3.932 -5.421 365 HD11 LEU 45 HD21 LEU 45 -6.999 -3.236 -3.216 366 HD12 LEU 45 HD22 LEU 45 -8.668 -3.139 -2.657 367 HD13 LEU 45 HD23 LEU 45 -8.094 -2.040 -3.910 368 HD21 LEU 45 HD11 LEU 45 -8.972 -5.607 -3.224 369 HD22 LEU 45 HD12 LEU 45 -7.285 -5.639 -3.738 370 HD23 LEU 45 HD13 LEU 45 -8.554 -6.163 -4.845 371 H CYS 46 HN CYS 46 -10.733 -3.045 -8.153 372 HA CYS 46 HA CYS 46 -13.658 -3.157 -7.935 373 HB2 CYS 46 HB2 CYS 46 -12.935 -1.058 -6.916 374 HB3 CYS 46 HB1 CYS 46 -11.997 -0.662 -8.353 375 HG CYS 46 HG CYS 46 -14.771 0.541 -7.789 376 H GLU 47 HN GLU 47 -14.743 -3.274 -9.843 377 HA GLU 47 HA GLU 47 -13.232 -3.907 -12.199 378 HB2 GLU 47 HB1 GLU 47 -15.438 -4.281 -13.235 379 HB3 GLU 47 HB2 GLU 47 -15.282 -5.123 -11.699 380 HG2 GLU 47 HG2 GLU 47 -16.561 -3.350 -10.602 381 HG3 GLU 47 HG1 GLU 47 -16.726 -2.520 -12.149 382 H ARG 48 HN ARG 48 -14.814 -1.132 -10.915 383 HA ARG 48 HA ARG 48 -14.490 0.300 -13.468 384 HB2 ARG 48 HB1 ARG 48 -16.189 1.012 -11.066 385 HB3 ARG 48 HB2 ARG 48 -16.069 1.957 -12.544 386 HG2 ARG 48 HG1 ARG 48 -17.053 0.134 -13.814 387 HG3 ARG 48 HG2 ARG 48 -17.133 -0.854 -12.353 388 HD2 ARG 48 HD1 ARG 48 -19.297 0.161 -12.861 389 HD3 ARG 48 HD2 ARG 48 -18.650 0.753 -11.331 390 HE ARG 48 HE ARG 48 -18.062 2.407 -13.626 391 HH11 ARG 48 HH11 ARG 48 -20.253 1.759 -10.996 392 HH12 ARG 48 HH12 ARG 48 -20.923 3.357 -10.988 393 HH21 ARG 48 HH21 ARG 48 -18.938 4.513 -13.624 394 HH22 ARG 48 HH22 ARG 48 -20.175 4.922 -12.483 395 H TYR 49 HN TYR 49 -12.185 -0.136 -12.187 396 HA TYR 49 HA TYR 49 -11.597 2.375 -10.769 397 HB2 TYR 49 HB2 TYR 49 -11.278 -0.026 -9.689 398 HB3 TYR 49 HB1 TYR 49 -9.769 0.022 -10.597 399 HD1 TYR 49 HD1 TYR 49 -8.302 2.145 -10.254 400 HD2 TYR 49 HD2 TYR 49 -11.373 0.914 -7.588 401 HE1 TYR 49 HE1 TYR 49 -7.270 3.479 -8.462 402 HE2 TYR 49 HE2 TYR 49 -10.354 2.239 -5.787 403 HH TYR 49 HH TYR 49 -8.150 3.168 -5.202 404 H ASN 50 HN ASN 50 -10.990 3.667 -12.456 405 HA ASN 50 HA ASN 50 -9.290 2.781 -14.570 406 HB2 ASN 50 HB1 ASN 50 -10.049 5.577 -13.694 407 HB3 ASN 50 HB2 ASN 50 -9.203 5.183 -15.188 408 HD21 ASN 50 HD21 ASN 50 -10.728 2.749 -15.633 409 HD22 ASN 50 HD22 ASN 50 -12.294 3.251 -16.160 410 H GLY 51 HN GLY 51 -8.772 5.006 -11.829 411 HA2 GLY 51 HA2 GLY 51 -6.327 4.072 -10.998 412 HA3 GLY 51 HA1 GLY 51 -5.953 5.193 -12.299 413 H ALA 52 HN ALA 52 -4.811 6.134 -10.299 414 HA ALA 52 HA ALA 52 -6.132 8.507 -9.566 415 HB1 ALA 52 HB1 ALA 52 -5.917 6.509 -7.320 416 HB2 ALA 52 HB2 ALA 52 -7.417 6.979 -8.118 417 HB3 ALA 52 HB3 ALA 52 -6.494 8.171 -7.202 418 H TYR 53 HN TYR 53 -4.897 9.570 -7.608 419 HA TYR 53 HA TYR 53 -2.069 9.309 -8.248 420 HB2 TYR 53 HB2 TYR 53 -3.762 11.421 -6.981 421 HB3 TYR 53 HB1 TYR 53 -2.038 11.395 -6.632 422 HD1 TYR 53 HD2 TYR 53 -0.603 10.953 -8.924 423 HD2 TYR 53 HD1 TYR 53 -4.383 12.884 -8.644 424 HE1 TYR 53 HE2 TYR 53 -0.148 12.136 -11.034 425 HE2 TYR 53 HE1 TYR 53 -3.942 14.071 -10.752 426 HH TYR 53 HH TYR 53 -2.010 14.762 -12.107 427 H TRP 54 HN TRP 54 -1.376 7.523 -7.162 428 HA TRP 54 HA TRP 54 -2.021 6.958 -4.458 429 HB2 TRP 54 HB1 TRP 54 0.467 5.884 -5.721 430 HB3 TRP 54 HB2 TRP 54 -0.712 5.067 -4.699 431 HD1 TRP 54 HD1 TRP 54 -3.301 4.949 -6.094 432 HE1 TRP 54 HE1 TRP 54 -3.649 4.042 -8.472 433 HE3 TRP 54 HE3 TRP 54 1.478 5.429 -7.846 434 HZ2 TRP 54 HZ2 TRP 54 -2.101 3.594 -10.794 435 HZ3 TRP 54 HZ3 TRP 54 1.959 4.740 -10.159 436 HH2 TRP 54 HH2 TRP 54 0.205 3.841 -11.600 437 H HIS 55 HN HIS 55 -1.575 9.030 -3.511 438 HA HIS 55 HA HIS 55 0.793 10.396 -3.416 439 HB2 HIS 55 HB2 HIS 55 -1.118 9.975 -1.110 440 HB3 HIS 55 HB1 HIS 55 0.076 11.262 -1.233 441 HD1 HIS 55 HD1 HIS 55 -0.421 13.184 -2.919 442 HD2 HIS 55 HD2 HIS 55 -3.457 10.372 -2.552 443 HE1 HIS 55 HE1 HIS 55 -2.438 14.229 -3.996 444 HE2 HIS 55 HE2 HIS 55 -4.245 12.483 -3.824 445 H TYR 56 HN TYR 56 2.734 10.125 -2.550 446 HA TYR 56 HA TYR 56 3.375 7.610 -1.297 447 HB2 TYR 56 HB2 TYR 56 5.101 10.017 -1.928 448 HB3 TYR 56 HB1 TYR 56 5.705 8.476 -1.331 449 HD1 TYR 56 HD1 TYR 56 3.499 6.982 -3.137 450 HD2 TYR 56 HD2 TYR 56 6.617 9.784 -3.872 451 HE1 TYR 56 HE1 TYR 56 3.687 6.160 -5.446 452 HE2 TYR 56 HE2 TYR 56 6.810 8.970 -6.183 453 HH TYR 56 HH TYR 56 6.293 6.947 -7.473 454 H TYR 57 HN TYR 57 3.707 7.232 0.827 455 HA TYR 57 HA TYR 57 3.543 9.561 2.626 456 HB2 TYR 57 HB1 TYR 57 2.277 6.853 2.822 457 HB3 TYR 57 HB2 TYR 57 2.597 7.792 4.278 458 HD1 TYR 57 HD2 TYR 57 1.383 9.843 4.728 459 HD2 TYR 57 HD1 TYR 57 0.591 7.570 1.222 460 HE1 TYR 57 HE2 TYR 57 -0.697 11.105 4.390 461 HE2 TYR 57 HE1 TYR 57 -1.494 8.826 0.872 462 HH TYR 57 HH TYR 57 -2.222 11.683 2.549 463 H ALA 58 HN ALA 58 4.891 9.710 4.336 464 HA ALA 58 HA ALA 58 7.133 7.819 4.386 465 HB1 ALA 58 HB1 ALA 58 7.700 10.161 3.946 466 HB2 ALA 58 HB2 ALA 58 8.401 9.597 5.463 467 HB3 ALA 58 HB3 ALA 58 6.968 10.624 5.482 468 H LEU 59 HN LEU 59 6.715 6.246 5.815 469 HA LEU 59 HA LEU 59 5.331 6.809 8.297 470 HB2 LEU 59 HB2 LEU 59 6.235 4.371 6.853 471 HB3 LEU 59 HB1 LEU 59 5.985 4.253 8.586 472 HG LEU 59 HG LEU 59 3.858 5.329 6.749 473 HD11 LEU 59 HD11 LEU 59 2.879 3.088 6.716 474 HD12 LEU 59 HD12 LEU 59 4.299 2.455 7.549 475 HD13 LEU 59 HD13 LEU 59 4.454 3.123 5.923 476 HD21 LEU 59 HD21 LEU 59 2.376 4.655 8.560 477 HD22 LEU 59 HD22 LEU 59 3.613 5.771 9.137 478 HD23 LEU 59 HD23 LEU 59 3.756 4.046 9.476 479 H SER 60 HN SER 60 6.194 6.357 10.379 480 HA SER 60 HA SER 60 8.776 7.383 10.800 481 HB2 SER 60 HB2 SER 60 7.006 5.806 12.683 482 HB3 SER 60 HB1 SER 60 8.431 6.728 13.163 483 HG SER 60 HG SER 60 5.981 7.615 12.938 484 H ASP 61 HN ASP 61 7.606 4.125 10.380 485 HA ASP 61 HA ASP 61 10.117 2.961 11.269 486 HB2 ASP 61 HB2 ASP 61 7.549 1.765 10.233 487 HB3 ASP 61 HB1 ASP 61 8.984 0.797 10.562 488 H GLY 62 HN GLY 62 9.356 4.582 8.621 489 HA2 GLY 62 HA2 GLY 62 10.386 4.737 6.567 490 HA3 GLY 62 HA1 GLY 62 11.444 3.426 7.063 491 H GLY 63 HN GLY 63 8.242 2.523 7.447 492 HA2 GLY 63 HA2 GLY 63 8.337 0.479 5.546 493 HA3 GLY 63 HA1 GLY 63 6.871 1.079 6.306 494 H PHE 64 HN PHE 64 6.701 3.625 5.370 495 HA PHE 64 HA PHE 64 5.975 4.878 3.624 496 HB2 PHE 64 HB1 PHE 64 8.224 4.738 2.771 497 HB3 PHE 64 HB2 PHE 64 7.926 3.136 2.109 498 HD1 PHE 64 HD2 PHE 64 6.399 2.881 0.157 499 HD2 PHE 64 HD1 PHE 64 7.673 6.684 1.577 500 HE1 PHE 64 HE2 PHE 64 5.744 3.896 -1.985 501 HE2 PHE 64 HE1 PHE 64 7.023 7.705 -0.563 502 HZ PHE 64 HZ PHE 64 6.056 6.311 -2.347 503 H TYR 65 HN TYR 65 3.988 4.762 2.866 504 HA TYR 65 HA TYR 65 3.203 2.389 1.325 505 HB2 TYR 65 HB2 TYR 65 1.308 1.956 2.546 506 HB3 TYR 65 HB1 TYR 65 2.364 2.541 3.824 507 HD1 TYR 65 HD1 TYR 65 2.009 4.755 4.820 508 HD2 TYR 65 HD2 TYR 65 -0.605 3.224 1.831 509 HE1 TYR 65 HE1 TYR 65 0.343 6.464 5.411 510 HE2 TYR 65 HE2 TYR 65 -2.276 4.934 2.411 511 HH TYR 65 HH TYR 65 -2.872 6.353 4.322 512 H MET 66 HN MET 66 1.646 2.719 -0.274 513 HA MET 66 HA MET 66 1.326 5.533 -1.084 514 HB2 MET 66 HB2 MET 66 1.180 2.987 -2.711 515 HB3 MET 66 HB1 MET 66 0.921 4.604 -3.351 516 HG2 MET 66 HG1 MET 66 3.167 5.209 -3.026 517 HG3 MET 66 HG2 MET 66 3.473 3.818 -1.987 518 HE1 MET 66 HE1 MET 66 2.578 3.322 -6.486 519 HE2 MET 66 HE2 MET 66 2.734 4.926 -5.766 520 HE3 MET 66 HE3 MET 66 1.420 3.859 -5.269 521 H ALA 67 HN ALA 67 -0.641 6.422 -1.343 522 HA ALA 67 HA ALA 67 -2.993 4.656 -1.164 523 HB1 ALA 67 HB1 ALA 67 -4.104 6.265 0.291 524 HB2 ALA 67 HB2 ALA 67 -2.664 7.282 0.281 525 HB3 ALA 67 HB3 ALA 67 -2.607 5.683 1.021 526 HA PRO 68 HA PRO 68 -4.056 6.817 -4.937 527 HB2 PRO 68 HB2 PRO 68 -6.742 5.701 -4.376 528 HB3 PRO 68 HB1 PRO 68 -5.726 5.521 -5.809 529 HG2 PRO 68 HG1 PRO 68 -6.064 3.502 -4.090 530 HG3 PRO 68 HG2 PRO 68 -4.507 3.784 -4.890 531 HD2 PRO 68 HD2 PRO 68 -5.348 4.430 -2.092 532 HD3 PRO 68 HD1 PRO 68 -3.793 3.814 -2.689 533 H ASP 69 HN ASP 69 -5.627 8.466 -5.616 534 HA ASP 69 HA ASP 69 -6.567 10.020 -3.309 535 HB2 ASP 69 HB2 ASP 69 -4.867 11.099 -4.724 536 HB3 ASP 69 HB1 ASP 69 -5.933 10.946 -6.116 537 H LEU 70 HN LEU 70 -8.602 9.049 -3.063 538 HA LEU 70 HA LEU 70 -10.564 9.890 -5.084 539 HB2 LEU 70 HB2 LEU 70 -10.506 7.209 -3.696 540 HB3 LEU 70 HB1 LEU 70 -11.876 7.817 -4.598 541 HG LEU 70 HG LEU 70 -10.793 6.315 -6.039 542 HD11 LEU 70 HD11 LEU 70 -9.833 9.070 -6.784 543 HD12 LEU 70 HD12 LEU 70 -11.424 8.396 -7.133 544 HD13 LEU 70 HD13 LEU 70 -9.986 7.697 -7.878 545 HD21 LEU 70 HD21 LEU 70 -8.407 6.361 -6.526 546 HD22 LEU 70 HD22 LEU 70 -8.709 6.092 -4.810 547 HD23 LEU 70 HD23 LEU 70 -8.195 7.680 -5.376 548 H ALA 71 HN ALA 71 -11.518 11.532 -3.973 549 HA ALA 71 HA ALA 71 -12.044 11.290 -1.143 550 HB1 ALA 71 HB1 ALA 71 -11.333 13.431 -2.080 551 HB2 ALA 71 HB2 ALA 71 -12.920 13.560 -1.322 552 HB3 ALA 71 HB3 ALA 71 -12.785 13.481 -3.079 553 H GLY 72 HN GLY 72 -13.725 10.149 -0.446 554 HA2 GLY 72 HA2 GLY 72 -16.247 10.428 -0.350 555 HA3 GLY 72 HA1 GLY 72 -16.182 10.139 -2.083 556 H ARG 73 HN ARG 73 -17.456 8.300 -1.995 557 HA ARG 73 HA ARG 73 -16.293 5.997 -0.589 558 HB2 ARG 73 HB2 ARG 73 -19.151 6.466 -1.456 559 HB3 ARG 73 HB1 ARG 73 -18.558 5.008 -0.674 560 HG2 ARG 73 HG2 ARG 73 -18.498 7.760 0.546 561 HG3 ARG 73 HG1 ARG 73 -19.722 6.531 0.870 562 HD2 ARG 73 HD2 ARG 73 -18.018 5.039 1.755 563 HD3 ARG 73 HD1 ARG 73 -16.766 6.226 1.387 564 HE ARG 73 HE ARG 73 -18.633 7.473 3.025 565 HH11 ARG 73 HH11 ARG 73 -16.366 4.832 3.204 566 HH12 ARG 73 HH12 ARG 73 -16.096 5.012 4.906 567 HH21 ARG 73 HH21 ARG 73 -18.283 7.716 5.263 568 HH22 ARG 73 HH22 ARG 73 -17.186 6.651 6.076 569 H LEU 74 HN LEU 74 -15.167 4.771 -1.915 570 HA LEU 74 HA LEU 74 -16.129 4.402 -4.674 571 HB2 LEU 74 HB2 LEU 74 -13.783 3.692 -5.181 572 HB3 LEU 74 HB1 LEU 74 -13.970 5.379 -4.746 573 HG LEU 74 HG LEU 74 -13.246 3.473 -2.581 574 HD11 LEU 74 HD21 LEU 74 -10.875 3.634 -3.154 575 HD12 LEU 74 HD22 LEU 74 -11.295 4.453 -4.659 576 HD13 LEU 74 HD23 LEU 74 -11.786 2.778 -4.399 577 HD21 LEU 74 HD11 LEU 74 -11.964 5.392 -1.799 578 HD22 LEU 74 HD12 LEU 74 -13.645 5.836 -2.104 579 HD23 LEU 74 HD13 LEU 74 -12.391 6.282 -3.261 580 H GLU 75 HN GLU 75 -17.141 2.548 -4.968 581 HA GLU 75 HA GLU 75 -17.190 0.410 -3.182 582 HB2 GLU 75 HB2 GLU 75 -17.690 0.215 -6.156 583 HB3 GLU 75 HB1 GLU 75 -18.344 -0.824 -4.898 584 HG2 GLU 75 HG1 GLU 75 -18.964 2.101 -5.241 585 HG3 GLU 75 HG2 GLU 75 -19.994 0.768 -5.757 586 H ILE 76 HN ILE 76 -15.444 -0.710 -2.585 587 HA ILE 76 HA ILE 76 -13.688 -1.755 -4.707 588 HB ILE 76 HB ILE 76 -12.979 -0.506 -2.090 589 HG12 ILE 76 HG12 ILE 76 -12.817 0.592 -4.399 590 HG13 ILE 76 HG11 ILE 76 -11.391 0.683 -3.372 591 HG21 ILE 76 HG21 ILE 76 -10.714 -1.574 -2.263 592 HG22 ILE 76 HG22 ILE 76 -11.416 -2.699 -3.426 593 HG23 ILE 76 HG23 ILE 76 -12.018 -2.656 -1.771 594 HD11 ILE 76 HD11 ILE 76 -10.908 0.179 -5.745 595 HD12 ILE 76 HD12 ILE 76 -11.781 -1.342 -5.561 596 HD13 ILE 76 HD13 ILE 76 -10.315 -1.047 -4.625 597 H GLU 77 HN GLU 77 -14.253 -3.811 -4.921 598 HA GLU 77 HA GLU 77 -14.799 -5.422 -2.540 599 HB2 GLU 77 HB1 GLU 77 -15.552 -7.141 -4.242 600 HB3 GLU 77 HB2 GLU 77 -16.506 -5.666 -4.159 601 HG2 GLU 77 HG1 GLU 77 -15.313 -4.806 -6.125 602 HG3 GLU 77 HG2 GLU 77 -14.409 -6.316 -6.219 603 H VAL 78 HN VAL 78 -13.029 -6.217 -1.659 604 HA VAL 78 HA VAL 78 -10.659 -6.857 -3.105 605 HB VAL 78 HB VAL 78 -10.088 -8.043 -0.852 606 HG11 VAL 78 HG11 VAL 78 -10.540 -5.062 -1.005 607 HG12 VAL 78 HG12 VAL 78 -9.116 -5.926 -1.584 608 HG13 VAL 78 HG13 VAL 78 -9.480 -5.883 0.140 609 HG21 VAL 78 HG21 VAL 78 -12.418 -8.125 -0.076 610 HG22 VAL 78 HG22 VAL 78 -12.420 -6.363 0.027 611 HG23 VAL 78 HG23 VAL 78 -11.338 -7.306 1.049 612 H ASN 79 HN ASN 79 -10.561 -8.575 -4.471 613 HA ASN 79 HA ASN 79 -12.121 -10.944 -3.963 614 HB2 ASN 79 HB2 ASN 79 -9.984 -10.917 -6.033 615 HB3 ASN 79 HB1 ASN 79 -11.637 -11.519 -6.131 616 HD21 ASN 79 HD21 ASN 79 -9.660 -8.627 -6.111 617 HD22 ASN 79 HD22 ASN 79 -10.771 -7.633 -6.983 618 H GLY 80 HN GLY 80 -9.916 -10.058 -2.127 619 HA2 GLY 80 HA2 GLY 80 -8.061 -12.331 -2.371 620 HA3 GLY 80 HA1 GLY 80 -7.786 -10.888 -1.402 621 H ASN 81 HN ASN 81 -10.610 -10.988 -0.491 622 HA ASN 81 HA ASN 81 -10.694 -13.399 1.134 623 HB2 ASN 81 HB1 ASN 81 -10.654 -12.361 3.211 624 HB3 ASN 81 HB2 ASN 81 -9.425 -11.463 2.329 625 HD21 ASN 81 HD21 ASN 81 -9.773 -9.342 1.817 626 HD22 ASN 81 HD22 ASN 81 -11.095 -8.427 2.443 627 H GLY 82 HN GLY 82 -12.177 -11.577 -0.975 628 HA2 GLY 82 HA2 GLY 82 -14.341 -11.306 -1.620 629 HA3 GLY 82 HA1 GLY 82 -14.752 -12.520 -0.422 630 H PHE 83 HN PHE 83 -13.190 -9.573 0.667 631 HA PHE 83 HA PHE 83 -15.602 -8.958 2.147 632 HB2 PHE 83 HB2 PHE 83 -13.527 -8.728 3.342 633 HB3 PHE 83 HB1 PHE 83 -12.885 -7.640 2.116 634 HD1 PHE 83 HD1 PHE 83 -15.891 -7.874 4.318 635 HD2 PHE 83 HD2 PHE 83 -12.846 -5.416 2.647 636 HE1 PHE 83 HE1 PHE 83 -16.763 -5.946 5.574 637 HE2 PHE 83 HE2 PHE 83 -13.710 -3.485 3.901 638 HZ PHE 83 HZ PHE 83 -15.672 -3.747 5.367 639 H ARG 84 HN ARG 84 -17.114 -8.276 0.697 640 HA ARG 84 HA ARG 84 -16.526 -6.135 -1.148 641 HB2 ARG 84 HB2 ARG 84 -18.109 -7.944 -1.737 642 HB3 ARG 84 HB1 ARG 84 -19.176 -7.414 -0.445 643 HG2 ARG 84 HG2 ARG 84 -19.489 -5.273 -1.559 644 HG3 ARG 84 HG1 ARG 84 -18.385 -5.773 -2.843 645 HD2 ARG 84 HD1 ARG 84 -19.903 -7.635 -3.387 646 HD3 ARG 84 HD2 ARG 84 -21.019 -7.066 -2.146 647 HE ARG 84 HE ARG 84 -20.573 -4.924 -3.834 648 HH11 ARG 84 HH11 ARG 84 -21.885 -8.144 -4.077 649 HH12 ARG 84 HH12 ARG 84 -22.969 -7.743 -5.367 650 HH21 ARG 84 HH21 ARG 84 -21.998 -4.388 -5.530 651 HH22 ARG 84 HH22 ARG 84 -23.033 -5.609 -6.194 652 H GLY 85 HN GLY 85 -16.418 -4.108 -0.497 653 HA2 GLY 85 HA1 GLY 85 -18.488 -2.813 0.904 654 HA3 GLY 85 HA2 GLY 85 -17.191 -3.179 2.031 655 H GLU 86 HN GLU 86 -18.398 -0.736 0.411 656 HA GLU 86 HA GLU 86 -16.278 0.388 -1.044 657 HB2 GLU 86 HB2 GLU 86 -17.468 2.550 -0.665 658 HB3 GLU 86 HB1 GLU 86 -18.503 1.269 -1.281 659 HG2 GLU 86 HG1 GLU 86 -19.312 0.861 1.009 660 HG3 GLU 86 HG2 GLU 86 -18.328 2.211 1.570 661 H LEU 87 HN LEU 87 -14.608 1.737 -0.487 662 HA LEU 87 HA LEU 87 -14.299 2.611 2.261 663 HB2 LEU 87 HB1 LEU 87 -13.383 0.284 2.165 664 HB3 LEU 87 HB2 LEU 87 -12.210 0.845 0.990 665 HG LEU 87 HG LEU 87 -11.247 2.362 2.657 666 HD11 LEU 87 HD21 LEU 87 -11.953 2.214 5.001 667 HD12 LEU 87 HD22 LEU 87 -13.280 1.153 4.527 668 HD13 LEU 87 HD23 LEU 87 -13.243 2.824 3.964 669 HD21 LEU 87 HD11 LEU 87 -11.514 -0.480 3.628 670 HD22 LEU 87 HD12 LEU 87 -10.262 0.664 4.112 671 HD23 LEU 87 HD13 LEU 87 -10.349 0.108 2.441 672 H SER 88 HN SER 88 -12.835 4.302 2.507 673 HA SER 88 HA SER 88 -12.482 5.976 0.277 674 HB2 SER 88 HB1 SER 88 -11.125 6.075 2.983 675 HB3 SER 88 HB2 SER 88 -11.129 7.382 1.800 676 HG SER 88 HG SER 88 -13.054 6.642 3.574 677 H ALA 89 HN ALA 89 -10.509 6.730 -0.684 678 HA ALA 89 HA ALA 89 -8.815 4.663 -1.543 679 HB1 ALA 89 HB1 ALA 89 -8.647 7.650 -1.764 680 HB2 ALA 89 HB2 ALA 89 -9.072 6.473 -3.007 681 HB3 ALA 89 HB3 ALA 89 -7.410 6.591 -2.436 682 H ASP 90 HN ASP 90 -8.786 6.431 1.336 683 HA ASP 90 HA ASP 90 -5.932 6.300 1.760 684 HB2 ASP 90 HB1 ASP 90 -7.184 8.166 2.718 685 HB3 ASP 90 HB2 ASP 90 -8.196 7.047 3.626 686 H ALA 91 HN ALA 91 -8.776 4.918 3.420 687 HA ALA 91 HA ALA 91 -7.253 3.019 4.874 688 HB1 ALA 91 HB1 ALA 91 -9.395 2.080 5.530 689 HB2 ALA 91 HB2 ALA 91 -10.209 3.015 4.277 690 HB3 ALA 91 HB3 ALA 91 -9.437 3.840 5.631 691 H ALA 92 HN ALA 92 -8.355 3.089 1.640 692 HA ALA 92 HA ALA 92 -8.311 0.184 1.363 693 HB1 ALA 92 HB1 ALA 92 -9.051 0.585 -0.929 694 HB2 ALA 92 HB2 ALA 92 -8.881 2.323 -0.689 695 HB3 ALA 92 HB3 ALA 92 -10.091 1.423 0.224 696 H GLY 93 HN GLY 93 -6.510 3.062 0.446 697 HA2 GLY 93 HA2 GLY 93 -4.692 1.902 -1.337 698 HA3 GLY 93 HA1 GLY 93 -4.367 3.317 -0.341 699 H ILE 94 HN ILE 94 -5.058 1.529 2.035 700 HA ILE 94 HA ILE 94 -2.384 0.824 2.712 701 HB ILE 94 HB ILE 94 -4.750 -0.323 4.153 702 HG12 ILE 94 HG11 ILE 94 -5.387 1.991 3.739 703 HG13 ILE 94 HG12 ILE 94 -4.965 1.778 5.435 704 HG21 ILE 94 HG21 ILE 94 -2.535 -0.936 4.917 705 HG22 ILE 94 HG22 ILE 94 -3.332 0.082 6.116 706 HG23 ILE 94 HG23 ILE 94 -2.091 0.765 5.065 707 HD11 ILE 94 HD11 ILE 94 -2.848 2.842 5.099 708 HD12 ILE 94 HD12 ILE 94 -4.123 3.875 4.447 709 HD13 ILE 94 HD13 ILE 94 -3.118 2.918 3.358 710 H VAL 95 HN VAL 95 -5.223 -0.965 1.672 711 HA VAL 95 HA VAL 95 -4.066 -3.554 1.951 712 HB VAL 95 HB VAL 95 -6.437 -2.724 0.274 713 HG11 VAL 95 HG21 VAL 95 -5.594 -4.940 -0.276 714 HG12 VAL 95 HG22 VAL 95 -7.149 -5.050 0.550 715 HG13 VAL 95 HG23 VAL 95 -5.659 -5.400 1.426 716 HG21 VAL 95 HG11 VAL 95 -7.802 -3.331 2.211 717 HG22 VAL 95 HG12 VAL 95 -6.709 -1.998 2.585 718 HG23 VAL 95 HG13 VAL 95 -6.339 -3.627 3.151 719 H ALA 96 HN ALA 96 -4.300 -1.203 -0.662 720 HA ALA 96 HA ALA 96 -3.573 -2.944 -2.770 721 HB1 ALA 96 HB1 ALA 96 -3.195 0.040 -2.588 722 HB2 ALA 96 HB2 ALA 96 -4.665 -0.775 -3.120 723 HB3 ALA 96 HB3 ALA 96 -3.180 -0.930 -4.059 724 H THR 97 HN THR 97 -1.654 -0.717 -0.766 725 HA THR 97 HA THR 97 0.806 -1.325 -2.071 726 HB THR 97 HB THR 97 0.624 0.792 -0.966 727 HG1 THR 97 HG1 THR 97 2.682 0.484 -0.601 728 HG21 THR 97 HG21 THR 97 0.266 1.064 1.391 729 HG22 THR 97 HG22 THR 97 0.311 -0.680 1.650 730 HG23 THR 97 HG23 THR 97 -1.026 0.046 0.756 731 H LEU 98 HN LEU 98 -0.684 -2.389 0.976 732 HA LEU 98 HA LEU 98 1.404 -3.912 1.979 733 HB2 LEU 98 HB2 LEU 98 -1.575 -4.179 2.205 734 HB3 LEU 98 HB1 LEU 98 -0.511 -5.345 2.967 735 HG LEU 98 HG LEU 98 -0.432 -2.377 3.510 736 HD11 LEU 98 HD21 LEU 98 -2.553 -3.342 4.245 737 HD12 LEU 98 HD22 LEU 98 -1.537 -2.899 5.616 738 HD13 LEU 98 HD23 LEU 98 -1.678 -4.589 5.134 739 HD21 LEU 98 HD11 LEU 98 0.932 -3.023 5.431 740 HD22 LEU 98 HD12 LEU 98 1.682 -3.520 3.914 741 HD23 LEU 98 HD13 LEU 98 0.855 -4.709 4.921 742 H PHE 99 HN PHE 99 -1.257 -5.018 -0.130 743 HA PHE 99 HA PHE 99 -0.462 -7.667 -0.388 744 HB2 PHE 99 HB2 PHE 99 -2.161 -5.813 -1.941 745 HB3 PHE 99 HB1 PHE 99 -1.552 -7.208 -2.827 746 HD1 PHE 99 HD1 PHE 99 -2.135 -9.481 -2.116 747 HD2 PHE 99 HD2 PHE 99 -3.821 -6.049 -0.245 748 HE1 PHE 99 HE1 PHE 99 -3.903 -10.887 -1.142 749 HE2 PHE 99 HE2 PHE 99 -5.592 -7.451 0.732 750 HZ PHE 99 HZ PHE 99 -5.634 -9.872 0.285 751 H ALA 100 HN ALA 100 0.670 -4.804 -2.061 752 HA ALA 100 HA ALA 100 2.118 -6.070 -4.114 753 HB1 ALA 100 HB1 ALA 100 1.577 -3.680 -4.131 754 HB2 ALA 100 HB2 ALA 100 3.307 -3.957 -4.347 755 HB3 ALA 100 HB3 ALA 100 2.686 -3.422 -2.785 756 H LEU 101 HN LEU 101 2.983 -5.174 -0.814 757 HA LEU 101 HA LEU 101 5.724 -5.768 -0.948 758 HB2 LEU 101 HB2 LEU 101 3.822 -5.895 1.390 759 HB3 LEU 101 HB1 LEU 101 5.565 -5.992 1.527 760 HG LEU 101 HG LEU 101 4.071 -3.615 0.412 761 HD11 LEU 101 HD11 LEU 101 4.636 -2.518 2.533 762 HD12 LEU 101 HD12 LEU 101 5.280 -4.042 3.142 763 HD13 LEU 101 HD13 LEU 101 3.563 -3.897 2.770 764 HD21 LEU 101 HD21 LEU 101 6.962 -3.983 1.184 765 HD22 LEU 101 HD22 LEU 101 6.221 -2.472 0.661 766 HD23 LEU 101 HD23 LEU 101 6.333 -3.831 -0.456 767 H GLY 102 HN GLY 102 2.949 -7.777 -0.018 768 HA2 GLY 102 HA2 GLY 102 4.398 -10.067 0.722 769 HA3 GLY 102 HA1 GLY 102 2.717 -10.045 0.215 770 H GLN 103 HN GLN 103 3.184 -9.035 -2.435 771 HA GLN 103 HA GLN 103 3.827 -11.521 -3.704 772 HB2 GLN 103 HB2 GLN 103 2.048 -10.096 -4.582 773 HB3 GLN 103 HB1 GLN 103 3.211 -8.816 -4.903 774 HG2 GLN 103 HG2 GLN 103 4.022 -9.823 -6.760 775 HG3 GLN 103 HG1 GLN 103 3.748 -11.449 -6.135 776 HE21 GLN 103 HE22 GLN 103 2.340 -8.734 -7.786 777 HE22 GLN 103 HE21 GLN 103 0.931 -9.552 -8.357 778 H LEU 104 HN LEU 104 5.334 -8.303 -3.632 779 HA LEU 104 HA LEU 104 7.446 -8.795 -5.363 780 HB2 LEU 104 HB2 LEU 104 6.678 -6.609 -4.275 781 HB3 LEU 104 HB1 LEU 104 7.640 -7.088 -2.892 782 HG LEU 104 HG LEU 104 8.689 -5.471 -4.545 783 HD11 LEU 104 HD21 LEU 104 10.142 -8.022 -3.880 784 HD12 LEU 104 HD22 LEU 104 9.977 -6.613 -2.833 785 HD13 LEU 104 HD23 LEU 104 10.901 -6.496 -4.331 786 HD21 LEU 104 HD11 LEU 104 8.983 -7.993 -6.161 787 HD22 LEU 104 HD12 LEU 104 9.736 -6.438 -6.515 788 HD23 LEU 104 HD13 LEU 104 7.982 -6.606 -6.587 789 H ALA 105 HN ALA 105 7.022 -9.589 -1.981 790 HA ALA 105 HA ALA 105 9.731 -10.373 -1.514 791 HB1 ALA 105 HB1 ALA 105 8.905 -11.264 0.594 792 HB2 ALA 105 HB2 ALA 105 7.242 -11.078 0.039 793 HB3 ALA 105 HB3 ALA 105 8.249 -9.653 0.302 794 H ALA 106 HN ALA 106 6.781 -12.033 -2.485 795 HA ALA 106 HA ALA 106 7.970 -14.654 -2.307 796 HB1 ALA 106 HB1 ALA 106 5.365 -13.807 -3.566 797 HB2 ALA 106 HB2 ALA 106 5.579 -14.315 -1.891 798 HB3 ALA 106 HB3 ALA 106 5.861 -15.460 -3.202 799 H GLU 107 HN GLU 107 7.937 -12.150 -4.617 800 HA GLU 107 HA GLU 107 8.212 -13.841 -6.931 801 HB2 GLU 107 HB2 GLU 107 8.376 -10.882 -6.442 802 HB3 GLU 107 HB1 GLU 107 8.854 -11.573 -7.982 803 HG2 GLU 107 HG2 GLU 107 6.145 -11.855 -6.707 804 HG3 GLU 107 HG1 GLU 107 6.556 -10.744 -8.013 805 H ILE 108 HN ILE 108 10.315 -12.037 -4.771 806 HA ILE 108 HA ILE 108 12.669 -12.638 -6.357 807 HB ILE 108 HB ILE 108 13.896 -11.474 -4.507 808 HG12 ILE 108 HG11 ILE 108 11.093 -10.921 -3.503 809 HG13 ILE 108 HG12 ILE 108 12.284 -11.940 -2.702 810 HG21 ILE 108 HG21 ILE 108 13.093 -9.242 -5.116 811 HG22 ILE 108 HG22 ILE 108 11.631 -9.957 -5.796 812 HG23 ILE 108 HG23 ILE 108 13.201 -10.301 -6.523 813 HD11 ILE 108 HD11 ILE 108 12.537 -8.983 -3.189 814 HD12 ILE 108 HD12 ILE 108 13.730 -10.004 -2.386 815 HD13 ILE 108 HD13 ILE 108 12.144 -9.759 -1.655 816 H ALA 109 HN ALA 109 13.771 -14.458 -6.165 817 HA ALA 109 HA ALA 109 13.182 -16.478 -4.317 818 HB1 ALA 109 HB1 ALA 109 15.143 -17.622 -5.178 819 HB2 ALA 109 HB2 ALA 109 15.715 -16.125 -5.916 820 HB3 ALA 109 HB3 ALA 109 14.233 -16.885 -6.498 821 H ASP 110 HN ASP 110 15.177 -17.518 -3.069 822 HA ASP 110 HA ASP 110 16.541 -17.448 -1.255 823 HB2 ASP 110 HB1 ASP 110 17.073 -14.601 -2.130 824 HB3 ASP 110 HB2 ASP 110 18.010 -15.495 -0.936 825 H THR 111 HN THR 111 16.434 -16.955 0.933 826 HA THR 111 HA THR 111 14.000 -15.569 1.729 827 HB THR 111 HB THR 111 15.900 -16.996 3.584 828 HG1 THR 111 HG1 THR 111 14.953 -18.896 3.047 829 HG21 THR 111 HG21 THR 111 13.842 -17.382 4.880 830 HG22 THR 111 HG22 THR 111 12.923 -16.482 3.673 831 HG23 THR 111 HG23 THR 111 14.150 -15.662 4.639 832 H ASP 112 HN ASP 112 16.700 -14.296 0.894 833 HA ASP 112 HA ASP 112 17.453 -12.867 3.300 834 HB2 ASP 112 HB2 ASP 112 19.187 -13.521 1.692 835 HB3 ASP 112 HB1 ASP 112 18.402 -12.559 0.442 836 H ALA 113 HN ALA 113 16.645 -11.676 0.038 837 HA ALA 113 HA ALA 113 15.723 -9.172 1.087 838 HB1 ALA 113 HB1 ALA 113 15.506 -10.270 -1.715 839 HB2 ALA 113 HB2 ALA 113 16.858 -9.329 -1.084 840 HB3 ALA 113 HB3 ALA 113 15.262 -8.592 -1.227 841 H ALA 114 HN ALA 114 14.277 -12.201 0.293 842 HA ALA 114 HA ALA 114 11.607 -11.244 -0.074 843 HB1 ALA 114 HB1 ALA 114 12.355 -13.365 -1.027 844 HB2 ALA 114 HB2 ALA 114 10.968 -13.595 0.037 845 HB3 ALA 114 HB3 ALA 114 12.587 -14.015 0.595 846 H ASP 115 HN ASP 115 13.555 -11.442 2.605 847 HA ASP 115 HA ASP 115 11.232 -11.514 4.407 848 HB2 ASP 115 HB2 ASP 115 12.593 -13.559 4.663 849 HB3 ASP 115 HB1 ASP 115 14.010 -12.569 4.992 850 H ALA 116 HN ALA 116 13.720 -9.712 3.139 851 HA ALA 116 HA ALA 116 14.281 -8.141 5.513 852 HB1 ALA 116 HB1 ALA 116 16.057 -8.564 3.870 853 HB2 ALA 116 HB2 ALA 116 15.742 -6.839 4.062 854 HB3 ALA 116 HB3 ALA 116 15.126 -7.697 2.650 855 H LEU 117 HN LEU 117 12.755 -7.653 2.347 856 HA LEU 117 HA LEU 117 11.826 -5.040 2.826 857 HB2 LEU 117 HB2 LEU 117 10.573 -5.284 0.850 858 HB3 LEU 117 HB1 LEU 117 11.992 -6.284 0.606 859 HG LEU 117 HG LEU 117 10.331 -8.142 1.599 860 HD11 LEU 117 HD11 LEU 117 8.099 -7.847 0.756 861 HD12 LEU 117 HD12 LEU 117 8.525 -6.277 0.074 862 HD13 LEU 117 HD13 LEU 117 8.498 -6.499 1.825 863 HD21 LEU 117 HD21 LEU 117 10.558 -7.196 -1.247 864 HD22 LEU 117 HD22 LEU 117 9.837 -8.732 -0.767 865 HD23 LEU 117 HD23 LEU 117 11.541 -8.418 -0.435 866 H ILE 118 HN ILE 118 10.625 -8.202 3.609 867 HA ILE 118 HA ILE 118 7.965 -7.804 4.115 868 HB ILE 118 HB ILE 118 9.999 -9.502 5.545 869 HG12 ILE 118 HG12 ILE 118 9.450 -10.134 3.252 870 HG13 ILE 118 HG11 ILE 118 8.827 -11.330 4.383 871 HG21 ILE 118 HG21 ILE 118 7.017 -9.544 6.008 872 HG22 ILE 118 HG22 ILE 118 8.215 -8.922 7.143 873 HG23 ILE 118 HG23 ILE 118 8.208 -10.635 6.720 874 HD11 ILE 118 HD11 ILE 118 7.221 -9.171 3.039 875 HD12 ILE 118 HD12 ILE 118 6.596 -10.370 4.172 876 HD13 ILE 118 HD13 ILE 118 7.237 -10.882 2.610 877 H ASP 119 HN ASP 119 10.703 -6.653 5.910 878 HA ASP 119 HA ASP 119 9.646 -6.089 8.386 879 HB2 ASP 119 HB2 ASP 119 11.820 -5.016 6.721 880 HB3 ASP 119 HB1 ASP 119 11.208 -3.893 7.930 881 H ARG 120 HN ARG 120 9.468 -4.117 5.439 882 HA ARG 120 HA ARG 120 8.127 -1.930 6.577 883 HB2 ARG 120 HB1 ARG 120 8.238 -2.959 3.746 884 HB3 ARG 120 HB2 ARG 120 7.393 -1.480 4.186 885 HG2 ARG 120 HG1 ARG 120 9.388 -0.583 3.608 886 HG3 ARG 120 HG2 ARG 120 9.734 -0.926 5.304 887 HD2 ARG 120 HD2 ARG 120 11.589 -1.724 4.082 888 HD3 ARG 120 HD1 ARG 120 10.655 -3.147 4.541 889 HE ARG 120 HE ARG 120 9.677 -2.787 2.148 890 HH11 ARG 120 HH11 ARG 120 12.984 -2.393 3.173 891 HH12 ARG 120 HH12 ARG 120 13.647 -2.788 1.623 892 HH21 ARG 120 HH21 ARG 120 10.541 -3.305 0.102 893 HH22 ARG 120 HH22 ARG 120 12.258 -3.305 -0.124 894 H TYR 121 HN TYR 121 6.915 -4.937 5.184 895 HA TYR 121 HA TYR 121 4.213 -4.276 5.004 896 HB2 TYR 121 HB2 TYR 121 5.269 -6.367 4.115 897 HB3 TYR 121 HB1 TYR 121 5.326 -6.986 5.764 898 HD1 TYR 121 HD2 TYR 121 3.000 -7.011 7.018 899 HD2 TYR 121 HD1 TYR 121 3.453 -6.885 2.792 900 HE1 TYR 121 HE2 TYR 121 0.724 -7.905 6.754 901 HE2 TYR 121 HE1 TYR 121 1.178 -7.775 2.514 902 HH TYR 121 HH TYR 121 -0.458 -9.077 3.793 903 H HIS 122 HN HIS 122 5.964 -5.779 7.717 904 HA HIS 122 HA HIS 122 3.753 -5.889 9.461 905 HB2 HIS 122 HB1 HIS 122 6.728 -5.874 9.970 906 HB3 HIS 122 HB2 HIS 122 5.544 -6.047 11.260 907 HD1 HIS 122 HD1 HIS 122 5.176 -8.399 11.879 908 HD2 HIS 122 HD2 HIS 122 6.132 -8.005 7.854 909 HE1 HIS 122 HE1 HIS 122 5.207 -10.741 10.964 910 HE2 HIS 122 HE2 HIS 122 5.817 -10.481 8.533 911 H PHE 123 HN PHE 123 6.109 -3.381 8.778 912 HA PHE 123 HA PHE 123 5.561 -1.720 10.986 913 HB2 PHE 123 HB1 PHE 123 6.583 -1.034 8.224 914 HB3 PHE 123 HB2 PHE 123 6.541 0.098 9.572 915 HD1 PHE 123 HD1 PHE 123 7.295 -2.102 11.659 916 HD2 PHE 123 HD2 PHE 123 8.961 -0.863 7.942 917 HE1 PHE 123 HE1 PHE 123 9.509 -2.885 12.394 918 HE2 PHE 123 HE2 PHE 123 11.176 -1.646 8.671 919 HZ PHE 123 HZ PHE 123 11.452 -2.658 10.899 920 H LEU 124 HN LEU 124 4.393 -1.461 7.621 921 HA LEU 124 HA LEU 124 2.573 0.619 8.112 922 HB2 LEU 124 HB1 LEU 124 3.281 0.101 5.869 923 HB3 LEU 124 HB2 LEU 124 2.614 -1.515 5.981 924 HG LEU 124 HG LEU 124 0.339 -0.531 6.126 925 HD11 LEU 124 HD11 LEU 124 0.900 1.635 7.054 926 HD12 LEU 124 HD12 LEU 124 0.046 1.835 5.523 927 HD13 LEU 124 HD13 LEU 124 1.794 2.054 5.594 928 HD21 LEU 124 HD21 LEU 124 1.959 0.278 3.717 929 HD22 LEU 124 HD22 LEU 124 0.202 0.139 3.774 930 HD23 LEU 124 HD23 LEU 124 1.208 -1.294 3.991 931 H ARG 125 HN ARG 125 2.107 -2.890 7.951 932 HA ARG 125 HA ARG 125 -0.591 -3.104 8.309 933 HB2 ARG 125 HB2 ARG 125 0.972 -5.007 8.004 934 HB3 ARG 125 HB1 ARG 125 1.481 -4.828 9.677 935 HG2 ARG 125 HG2 ARG 125 -0.792 -5.328 10.424 936 HG3 ARG 125 HG1 ARG 125 -1.299 -5.513 8.743 937 HD2 ARG 125 HD2 ARG 125 0.359 -7.335 8.490 938 HD3 ARG 125 HD1 ARG 125 0.740 -7.186 10.205 939 HE ARG 125 HE ARG 125 -2.019 -7.571 9.939 940 HH11 ARG 125 HH11 ARG 125 0.966 -9.303 9.454 941 HH12 ARG 125 HH12 ARG 125 0.261 -10.858 9.744 942 HH21 ARG 125 HH21 ARG 125 -2.956 -9.614 10.321 943 HH22 ARG 125 HH22 ARG 125 -1.969 -11.035 10.236 944 H GLY 126 HN GLY 126 1.834 -2.375 10.783 945 HA2 GLY 126 HA2 GLY 126 0.085 -2.601 13.001 946 HA3 GLY 126 HA1 GLY 126 1.622 -1.751 12.977 947 H PHE 127 HN PHE 127 0.866 0.061 10.831 948 HA PHE 127 HA PHE 127 -0.377 2.070 12.426 949 HB2 PHE 127 HB2 PHE 127 1.355 2.561 10.713 950 HB3 PHE 127 HB1 PHE 127 0.210 2.100 9.457 951 HD1 PHE 127 HD1 PHE 127 0.594 4.457 12.311 952 HD2 PHE 127 HD2 PHE 127 -1.141 3.706 8.498 953 HE1 PHE 127 HE1 PHE 127 -0.264 6.762 12.252 954 HE2 PHE 127 HE2 PHE 127 -2.002 6.011 8.432 955 HZ PHE 127 HZ PHE 127 -1.563 7.542 10.311 956 H ALA 128 HN ALA 128 -1.479 -0.254 10.119 957 HA ALA 128 HA ALA 128 -3.875 0.938 9.291 958 HB1 ALA 128 HB1 ALA 128 -4.597 -1.331 8.718 959 HB2 ALA 128 HB2 ALA 128 -3.248 -1.993 9.643 960 HB3 ALA 128 HB3 ALA 128 -2.938 -1.031 8.198 961 H ALA 129 HN ALA 129 -3.012 -0.827 12.193 962 HA ALA 129 HA ALA 129 -5.625 -1.295 13.157 963 HB1 ALA 129 HB1 ALA 129 -3.062 -0.986 14.717 964 HB2 ALA 129 HB2 ALA 129 -3.664 -2.484 14.010 965 HB3 ALA 129 HB3 ALA 129 -4.560 -1.701 15.312 966 H GLY 130 HN GLY 130 -3.663 1.528 13.028 967 HA2 GLY 130 HA2 GLY 130 -5.115 2.911 15.133 968 HA3 GLY 130 HA1 GLY 130 -3.822 3.575 14.145 969 H HIS 131 HN HIS 131 -5.510 2.317 11.830 970 HA HIS 131 HA HIS 131 -6.761 4.754 11.058 971 HB2 HIS 131 HB2 HIS 131 -6.559 2.001 9.894 972 HB3 HIS 131 HB1 HIS 131 -7.716 3.143 9.216 973 HD1 HIS 131 HD1 HIS 131 -6.807 4.999 7.746 974 HD2 HIS 131 HD2 HIS 131 -3.829 2.729 9.546 975 HE1 HIS 131 HE1 HIS 131 -4.666 5.682 6.618 976 HE2 HIS 131 HE2 HIS 131 -2.894 4.220 7.651 977 HA PRO 132 HA PRO 132 -10.777 4.311 12.862 978 HB2 PRO 132 HB2 PRO 132 -11.838 5.531 10.384 979 HB3 PRO 132 HB1 PRO 132 -11.961 6.092 12.055 980 HG2 PRO 132 HG1 PRO 132 -10.360 7.318 10.301 981 HG3 PRO 132 HG2 PRO 132 -9.889 7.124 12.000 982 HD2 PRO 132 HD2 PRO 132 -8.999 5.576 9.595 983 HD3 PRO 132 HD1 PRO 132 -8.049 6.141 10.986 984 H GLU 133 HN GLU 133 -9.887 2.971 9.856 985 HA GLU 133 HA GLU 133 -12.275 1.244 9.865 986 HB2 GLU 133 HB1 GLU 133 -10.689 2.392 7.595 987 HB3 GLU 133 HB2 GLU 133 -11.573 0.886 7.380 988 HG2 GLU 133 HG2 GLU 133 -12.812 3.449 8.329 989 HG3 GLU 133 HG1 GLU 133 -12.799 2.914 6.649 990 H ALA 134 HN ALA 134 -9.551 1.069 11.162 991 HA ALA 134 HA ALA 134 -7.808 -0.718 10.164 992 HB1 ALA 134 HB1 ALA 134 -7.405 -1.522 12.434 993 HB2 ALA 134 HB2 ALA 134 -8.937 -0.822 12.959 994 HB3 ALA 134 HB3 ALA 134 -7.630 0.227 12.410 995 H ALA 135 HN ALA 135 -10.927 -1.562 11.639 996 HA ALA 135 HA ALA 135 -10.778 -4.304 11.495 997 HB1 ALA 135 HB1 ALA 135 -13.226 -2.601 11.057 998 HB2 ALA 135 HB2 ALA 135 -12.579 -3.098 12.621 999 HB3 ALA 135 HB3 ALA 135 -13.215 -4.306 11.505 1000 H ALA 136 HN ALA 136 -11.853 -2.043 8.970 1001 HA ALA 136 HA ALA 136 -12.490 -4.098 7.098 1002 HB1 ALA 136 HB1 ALA 136 -13.517 -1.878 7.008 1003 HB2 ALA 136 HB2 ALA 136 -12.732 -2.296 5.486 1004 HB3 ALA 136 HB3 ALA 136 -11.951 -1.175 6.601 1005 H ILE 137 HN ILE 137 -9.658 -2.053 7.624 1006 HA ILE 137 HA ILE 137 -8.245 -2.718 5.309 1007 HB ILE 137 HB ILE 137 -7.204 -1.897 8.016 1008 HG12 ILE 137 HG12 ILE 137 -7.629 -0.271 5.501 1009 HG13 ILE 137 HG11 ILE 137 -8.761 -0.320 6.847 1010 HG21 ILE 137 HG21 ILE 137 -5.797 -1.974 5.349 1011 HG22 ILE 137 HG22 ILE 137 -5.445 -2.986 6.750 1012 HG23 ILE 137 HG23 ILE 137 -5.154 -1.248 6.823 1013 HD11 ILE 137 HD11 ILE 137 -7.363 1.663 6.923 1014 HD12 ILE 137 HD12 ILE 137 -5.920 0.653 6.982 1015 HD13 ILE 137 HD13 ILE 137 -7.072 0.623 8.317 1016 H TYR 138 HN TYR 138 -7.881 -4.133 8.590 1017 HA TYR 138 HA TYR 138 -5.914 -5.991 7.785 1018 HB2 TYR 138 HB2 TYR 138 -5.897 -6.720 9.952 1019 HB3 TYR 138 HB1 TYR 138 -6.674 -5.159 10.179 1020 HD1 TYR 138 HD2 TYR 138 -9.044 -5.011 10.720 1021 HD2 TYR 138 HD1 TYR 138 -7.137 -8.782 10.232 1022 HE1 TYR 138 HE2 TYR 138 -10.952 -6.112 11.812 1023 HE2 TYR 138 HE1 TYR 138 -9.039 -9.893 11.325 1024 HH TYR 138 HH TYR 138 -10.855 -9.318 12.892 1025 H ARG 139 HN ARG 139 -9.428 -6.178 7.906 1026 HA ARG 139 HA ARG 139 -9.496 -8.994 7.362 1027 HB2 ARG 139 HB2 ARG 139 -11.867 -8.759 7.168 1028 HB3 ARG 139 HB1 ARG 139 -11.348 -7.736 8.499 1029 HG2 ARG 139 HG2 ARG 139 -11.442 -5.784 6.995 1030 HG3 ARG 139 HG1 ARG 139 -12.054 -6.834 5.715 1031 HD2 ARG 139 HD2 ARG 139 -13.373 -6.341 8.382 1032 HD3 ARG 139 HD1 ARG 139 -13.868 -5.642 6.841 1033 HE ARG 139 HE ARG 139 -13.876 -8.385 6.495 1034 HH11 ARG 139 HH11 ARG 139 -15.510 -6.055 8.507 1035 HH12 ARG 139 HH12 ARG 139 -16.959 -6.994 8.639 1036 HH21 ARG 139 HH21 ARG 139 -15.782 -9.625 6.660 1037 HH22 ARG 139 HH22 ARG 139 -17.114 -9.023 7.589 1038 H ALA 140 HN ALA 140 -9.194 -6.119 5.518 1039 HA ALA 140 HA ALA 140 -10.071 -7.171 3.016 1040 HB1 ALA 140 HB1 ALA 140 -10.039 -4.765 3.481 1041 HB2 ALA 140 HB2 ALA 140 -9.098 -5.167 2.044 1042 HB3 ALA 140 HB3 ALA 140 -8.277 -4.810 3.565 1043 H ILE 141 HN ILE 141 -6.975 -6.941 4.676 1044 HA ILE 141 HA ILE 141 -5.573 -8.093 2.399 1045 HB ILE 141 HB ILE 141 -3.538 -7.828 3.740 1046 HG12 ILE 141 HG11 ILE 141 -4.011 -6.317 5.889 1047 HG13 ILE 141 HG12 ILE 141 -5.524 -7.218 5.877 1048 HG21 ILE 141 HG21 ILE 141 -3.499 -5.392 3.806 1049 HG22 ILE 141 HG22 ILE 141 -5.260 -5.355 3.718 1050 HG23 ILE 141 HG23 ILE 141 -4.322 -5.976 2.359 1051 HD11 ILE 141 HD11 ILE 141 -3.895 -8.271 7.325 1052 HD12 ILE 141 HD12 ILE 141 -2.762 -8.404 5.981 1053 HD13 ILE 141 HD13 ILE 141 -4.273 -9.313 5.954 1054 H ASP 142 HN ASP 142 -7.239 -9.174 5.108 1055 HA ASP 142 HA ASP 142 -5.663 -11.445 5.792 1056 HB2 ASP 142 HB1 ASP 142 -7.303 -10.508 7.351 1057 HB3 ASP 142 HB2 ASP 142 -8.609 -10.914 6.242 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -12.554 6.924 17.340 2 H2 MET 1 HT2 MET 1 -12.797 8.532 17.806 3 H3 MET 1 HT3 MET 1 -14.022 7.390 18.041 4 HA MET 1 HA MET 1 -12.900 7.911 20.110 5 HB2 MET 1 HB1 MET 1 -12.334 5.120 19.087 6 HB3 MET 1 HB2 MET 1 -12.395 5.598 20.778 7 HG2 MET 1 HG2 MET 1 -14.760 6.216 20.490 8 HG3 MET 1 HG1 MET 1 -14.682 5.646 18.823 9 HE1 MET 1 HE1 MET 1 -12.774 3.095 19.145 10 HE2 MET 1 HE2 MET 1 -14.233 3.103 18.153 11 HE3 MET 1 HE3 MET 1 -13.975 1.817 19.332 12 H ASN 2 HN ASN 2 -11.136 9.021 20.623 13 HA ASN 2 HA ASN 2 -8.600 8.481 19.334 14 HB2 ASN 2 HB1 ASN 2 -9.356 10.505 21.454 15 HB3 ASN 2 HB2 ASN 2 -7.794 10.422 20.645 16 HD21 ASN 2 HD22 ASN 2 -11.156 11.215 20.315 17 HD22 ASN 2 HD21 ASN 2 -11.018 12.066 18.819 18 H THR 3 HN THR 3 -10.192 7.050 21.780 19 HA THR 3 HA THR 3 -8.379 6.880 23.897 20 HB THR 3 HB THR 3 -9.501 4.775 24.504 21 HG1 THR 3 HG1 THR 3 -11.223 4.077 23.053 22 HG21 THR 3 HG21 THR 3 -11.395 6.910 23.513 23 HG22 THR 3 HG22 THR 3 -10.584 6.885 25.080 24 HG23 THR 3 HG23 THR 3 -11.787 5.656 24.691 25 H GLU 4 HN GLU 4 -8.256 5.549 20.747 26 HA GLU 4 HA GLU 4 -6.124 3.681 21.521 27 HB2 GLU 4 HB1 GLU 4 -6.443 2.679 19.289 28 HB3 GLU 4 HB2 GLU 4 -7.920 2.658 20.242 29 HG2 GLU 4 HG1 GLU 4 -8.749 4.593 19.016 30 HG3 GLU 4 HG2 GLU 4 -7.263 4.634 18.068 31 H GLU 5 HN GLU 5 -4.066 4.019 20.919 32 HA GLU 5 HA GLU 5 -3.526 6.111 18.927 33 HB2 GLU 5 HB2 GLU 5 -2.101 5.769 21.571 34 HB3 GLU 5 HB1 GLU 5 -1.630 6.895 20.306 35 HG2 GLU 5 HG2 GLU 5 -3.777 8.048 20.546 36 HG3 GLU 5 HG1 GLU 5 -4.220 6.932 21.838 37 H GLN 6 HN GLN 6 -1.810 5.767 17.587 38 HA GLN 6 HA GLN 6 -0.524 3.129 17.808 39 HB2 GLN 6 HB2 GLN 6 -0.141 3.351 15.350 40 HB3 GLN 6 HB1 GLN 6 -1.838 3.284 15.808 41 HG2 GLN 6 HG1 GLN 6 -2.004 5.704 15.582 42 HG3 GLN 6 HG2 GLN 6 -0.299 5.782 15.138 43 HE21 GLN 6 HE21 GLN 6 -0.429 3.318 13.582 44 HE22 GLN 6 HE22 GLN 6 -1.248 3.721 12.117 45 HA PRO 7 HA PRO 7 3.283 5.272 18.498 46 HB2 PRO 7 HB2 PRO 7 4.663 2.826 17.707 47 HB3 PRO 7 HB1 PRO 7 4.590 3.595 19.295 48 HG2 PRO 7 HG2 PRO 7 3.342 1.259 18.761 49 HG3 PRO 7 HG1 PRO 7 2.691 2.445 19.908 50 HD2 PRO 7 HD1 PRO 7 1.895 1.922 17.066 51 HD3 PRO 7 HD2 PRO 7 0.870 2.236 18.484 52 H VAL 8 HN VAL 8 2.209 4.216 15.578 53 HA VAL 8 HA VAL 8 4.489 5.449 14.179 54 HB VAL 8 HB VAL 8 2.821 3.195 13.060 55 HG11 VAL 8 HG21 VAL 8 3.827 4.649 11.387 56 HG12 VAL 8 HG22 VAL 8 4.601 3.065 11.382 57 HG13 VAL 8 HG23 VAL 8 5.410 4.439 12.136 58 HG21 VAL 8 HG11 VAL 8 4.793 1.762 13.451 59 HG22 VAL 8 HG12 VAL 8 4.062 2.341 14.948 60 HG23 VAL 8 HG13 VAL 8 5.545 3.081 14.349 61 H THR 9 HN THR 9 4.014 6.965 12.676 62 HA THR 9 HA THR 9 1.246 7.246 11.759 63 HB THR 9 HB THR 9 1.293 9.678 12.129 64 HG1 THR 9 HG1 THR 9 3.515 10.059 12.199 65 HG21 THR 9 HG21 THR 9 0.255 8.234 13.815 66 HG22 THR 9 HG22 THR 9 0.995 9.651 14.559 67 HG23 THR 9 HG23 THR 9 1.803 8.086 14.646 68 H ALA 10 HN ALA 10 1.035 8.003 9.699 69 HA ALA 10 HA ALA 10 3.495 8.207 8.156 70 HB1 ALA 10 HB1 ALA 10 2.061 8.005 6.196 71 HB2 ALA 10 HB2 ALA 10 0.629 8.101 7.221 72 HB3 ALA 10 HB3 ALA 10 1.720 6.722 7.356 73 H SER 11 HN SER 11 3.311 9.826 6.228 74 HA SER 11 HA SER 11 1.977 12.310 6.852 75 HB2 SER 11 HB2 SER 11 3.954 12.496 8.286 76 HB3 SER 11 HB1 SER 11 5.001 12.177 6.903 77 HG SER 11 HG SER 11 4.951 14.250 6.618 78 H LEU 12 HN LEU 12 2.506 14.016 5.179 79 HA LEU 12 HA LEU 12 2.762 12.703 2.579 80 HB2 LEU 12 HB2 LEU 12 0.754 14.139 3.185 81 HB3 LEU 12 HB1 LEU 12 1.833 15.518 3.115 82 HG LEU 12 HG LEU 12 2.312 14.999 0.744 83 HD11 LEU 12 HD21 LEU 12 1.881 12.581 0.860 84 HD12 LEU 12 HD22 LEU 12 0.975 13.358 -0.439 85 HD13 LEU 12 HD23 LEU 12 0.160 12.909 1.058 86 HD21 LEU 12 HD11 LEU 12 -0.625 15.268 1.367 87 HD22 LEU 12 HD12 LEU 12 0.174 15.734 -0.135 88 HD23 LEU 12 HD13 LEU 12 0.546 16.585 1.365 89 H VAL 13 HN VAL 13 4.626 12.813 1.577 90 HA VAL 13 HA VAL 13 6.647 14.720 2.404 91 HB VAL 13 HB VAL 13 7.407 12.483 2.058 92 HG11 VAL 13 HG21 VAL 13 5.641 11.709 0.587 93 HG12 VAL 13 HG22 VAL 13 7.223 11.339 -0.101 94 HG13 VAL 13 HG23 VAL 13 6.282 12.692 -0.730 95 HG21 VAL 13 HG11 VAL 13 8.977 14.212 1.398 96 HG22 VAL 13 HG12 VAL 13 8.313 14.214 -0.237 97 HG23 VAL 13 HG13 VAL 13 9.157 12.789 0.370 98 H ALA 14 HN ALA 14 7.756 16.139 0.977 99 HA ALA 14 HA ALA 14 6.201 17.789 -0.580 100 HB1 ALA 14 HB1 ALA 14 9.162 17.317 -0.906 101 HB2 ALA 14 HB2 ALA 14 8.422 18.380 0.289 102 HB3 ALA 14 HB3 ALA 14 8.264 18.742 -1.429 103 H GLU 15 HN GLU 15 6.271 18.219 -2.901 104 HA GLU 15 HA GLU 15 5.779 15.818 -4.390 105 HB2 GLU 15 HB2 GLU 15 5.239 17.373 -6.246 106 HB3 GLU 15 HB1 GLU 15 4.363 17.735 -4.764 107 HG2 GLU 15 HG1 GLU 15 5.982 19.520 -4.272 108 HG3 GLU 15 HG2 GLU 15 6.790 19.181 -5.802 109 H ALA 16 HN ALA 16 8.445 18.003 -4.030 110 HA ALA 16 HA ALA 16 9.757 17.022 -6.440 111 HB1 ALA 16 HB1 ALA 16 11.466 18.674 -5.975 112 HB2 ALA 16 HB2 ALA 16 10.732 19.025 -4.410 113 HB3 ALA 16 HB3 ALA 16 9.868 19.414 -5.897 114 H GLN 17 HN GLN 17 9.512 16.087 -3.227 115 HA GLN 17 HA GLN 17 12.139 14.754 -3.319 116 HB2 GLN 17 HB2 GLN 17 10.457 15.481 -0.916 117 HB3 GLN 17 HB1 GLN 17 11.988 14.619 -0.856 118 HG2 GLN 17 HG2 GLN 17 11.634 17.399 -1.951 119 HG3 GLN 17 HG1 GLN 17 12.171 17.023 -0.314 120 HE21 GLN 17 HE21 GLN 17 12.986 16.888 -3.702 121 HE22 GLN 17 HE22 GLN 17 14.683 16.649 -3.488 122 H ARG 18 HN ARG 18 8.759 14.294 -3.300 123 HA ARG 18 HA ARG 18 8.620 11.721 -2.129 124 HB2 ARG 18 HB1 ARG 18 6.422 11.566 -3.220 125 HB3 ARG 18 HB2 ARG 18 6.636 13.111 -2.411 126 HG2 ARG 18 HG1 ARG 18 7.145 14.167 -4.553 127 HG3 ARG 18 HG2 ARG 18 6.938 12.615 -5.367 128 HD2 ARG 18 HD2 ARG 18 4.807 14.053 -3.790 129 HD3 ARG 18 HD1 ARG 18 4.947 14.058 -5.547 130 HE ARG 18 HE ARG 18 4.617 11.519 -4.112 131 HH11 ARG 18 HH11 ARG 18 3.445 13.897 -6.372 132 HH12 ARG 18 HH12 ARG 18 2.183 12.882 -6.985 133 HH21 ARG 18 HH21 ARG 18 2.958 10.174 -4.913 134 HH22 ARG 18 HH22 ARG 18 1.906 10.766 -6.155 135 H LEU 19 HN LEU 19 9.709 12.835 -5.179 136 HA LEU 19 HA LEU 19 9.306 10.381 -6.608 137 HB2 LEU 19 HB2 LEU 19 10.773 11.472 -8.314 138 HB3 LEU 19 HB1 LEU 19 9.331 12.373 -7.889 139 HG LEU 19 HG LEU 19 11.007 13.555 -6.198 140 HD11 LEU 19 HD21 LEU 19 12.924 12.178 -6.741 141 HD12 LEU 19 HD22 LEU 19 13.212 13.845 -7.238 142 HD13 LEU 19 HD23 LEU 19 12.794 12.626 -8.442 143 HD21 LEU 19 HD11 LEU 19 9.719 14.734 -7.843 144 HD22 LEU 19 HD12 LEU 19 10.757 14.147 -9.142 145 HD23 LEU 19 HD13 LEU 19 11.395 15.272 -7.941 146 H ASP 20 HN ASP 20 11.675 11.570 -4.439 147 HA ASP 20 HA ASP 20 13.618 9.548 -5.322 148 HB2 ASP 20 HB2 ASP 20 14.423 11.896 -5.086 149 HB3 ASP 20 HB1 ASP 20 14.018 11.824 -3.374 150 H PHE 21 HN PHE 21 11.347 10.287 -2.897 151 HA PHE 21 HA PHE 21 12.471 8.908 -0.698 152 HB2 PHE 21 HB2 PHE 21 10.505 10.553 -0.700 153 HB3 PHE 21 HB1 PHE 21 9.519 9.191 -1.220 154 HD1 PHE 21 HD1 PHE 21 9.188 7.256 0.263 155 HD2 PHE 21 HD2 PHE 21 11.238 10.756 1.551 156 HE1 PHE 21 HE1 PHE 21 8.897 6.560 2.604 157 HE2 PHE 21 HE2 PHE 21 10.951 10.065 3.895 158 HZ PHE 21 HZ PHE 21 9.779 7.964 4.424 159 H LEU 22 HN LEU 22 10.252 7.920 -3.274 160 HA LEU 22 HA LEU 22 9.690 5.349 -2.338 161 HB2 LEU 22 HB2 LEU 22 8.856 6.823 -4.443 162 HB3 LEU 22 HB1 LEU 22 9.910 5.690 -5.264 163 HG LEU 22 HG LEU 22 7.658 4.850 -5.334 164 HD11 LEU 22 HD11 LEU 22 9.468 3.215 -5.024 165 HD12 LEU 22 HD12 LEU 22 7.946 2.674 -4.317 166 HD13 LEU 22 HD13 LEU 22 9.227 3.301 -3.280 167 HD21 LEU 22 HD21 LEU 22 7.682 5.072 -2.328 168 HD22 LEU 22 HD22 LEU 22 6.401 4.340 -3.295 169 HD23 LEU 22 HD23 LEU 22 6.740 6.065 -3.440 170 HA PRO 23 HA PRO 23 13.381 3.708 -4.985 171 HB2 PRO 23 HB2 PRO 23 15.232 5.491 -5.846 172 HB3 PRO 23 HB1 PRO 23 13.805 5.061 -6.795 173 HG2 PRO 23 HG2 PRO 23 14.269 7.449 -5.047 174 HG3 PRO 23 HG1 PRO 23 13.540 7.371 -6.661 175 HD2 PRO 23 HD2 PRO 23 12.057 7.545 -4.407 176 HD3 PRO 23 HD1 PRO 23 11.503 6.666 -5.844 177 H THR 24 HN THR 24 13.701 6.273 -2.693 178 HA THR 24 HA THR 24 16.333 5.519 -1.796 179 HB THR 24 HB THR 24 14.291 7.495 -0.817 180 HG1 THR 24 HG1 THR 24 16.892 8.264 -1.284 181 HG21 THR 24 HG21 THR 24 15.808 8.176 0.946 182 HG22 THR 24 HG22 THR 24 16.938 6.897 0.502 183 HG23 THR 24 HG23 THR 24 15.356 6.485 1.164 184 H TYR 25 HN TYR 25 13.029 4.856 -0.823 185 HA TYR 25 HA TYR 25 14.024 3.372 1.512 186 HB2 TYR 25 HB2 TYR 25 11.384 4.608 0.842 187 HB3 TYR 25 HB1 TYR 25 11.463 3.296 2.014 188 HD1 TYR 25 HD2 TYR 25 12.890 6.653 1.265 189 HD2 TYR 25 HD1 TYR 25 12.016 3.739 4.239 190 HE1 TYR 25 HE2 TYR 25 13.534 8.255 3.016 191 HE2 TYR 25 HE1 TYR 25 12.657 5.333 5.998 192 HH TYR 25 HH TYR 25 14.050 7.343 6.243 193 H PHE 26 HN PHE 26 12.705 2.938 -1.607 194 HA PHE 26 HA PHE 26 12.129 0.112 -1.012 195 HB2 PHE 26 HB2 PHE 26 10.419 1.878 -2.124 196 HB3 PHE 26 HB1 PHE 26 11.217 1.288 -3.577 197 HD1 PHE 26 HD2 PHE 26 10.520 -0.691 -0.530 198 HD2 PHE 26 HD1 PHE 26 9.456 0.104 -4.574 199 HE1 PHE 26 HE2 PHE 26 9.065 -2.674 -0.531 200 HE2 PHE 26 HE1 PHE 26 7.998 -1.877 -4.581 201 HZ PHE 26 HZ PHE 26 7.801 -3.269 -2.558 202 H GLY 27 HN GLY 27 13.653 2.335 -3.281 203 HA2 GLY 27 HA2 GLY 27 15.977 1.451 -3.877 204 HA3 GLY 27 HA1 GLY 27 15.092 0.058 -4.485 205 HA PRO 28 HA PRO 28 15.229 3.969 -7.435 206 HB2 PRO 28 HB2 PRO 28 17.556 3.367 -8.803 207 HB3 PRO 28 HB1 PRO 28 17.423 4.584 -7.531 208 HG2 PRO 28 HG1 PRO 28 18.411 1.768 -7.367 209 HG3 PRO 28 HG2 PRO 28 19.040 3.226 -6.577 210 HD2 PRO 28 HD1 PRO 28 17.550 1.439 -5.241 211 HD3 PRO 28 HD2 PRO 28 17.415 3.181 -4.923 212 H ARG 29 HN ARG 29 15.633 0.578 -7.472 213 HA ARG 29 HA ARG 29 14.863 0.422 -10.292 214 HB2 ARG 29 HB2 ARG 29 16.731 -0.981 -9.763 215 HB3 ARG 29 HB1 ARG 29 15.894 -1.669 -8.377 216 HG2 ARG 29 HG1 ARG 29 15.963 -3.204 -10.287 217 HG3 ARG 29 HG2 ARG 29 14.312 -2.774 -9.835 218 HD2 ARG 29 HD2 ARG 29 14.607 -0.910 -11.638 219 HD3 ARG 29 HD1 ARG 29 15.899 -1.955 -12.231 220 HE ARG 29 HE ARG 29 13.230 -3.095 -11.837 221 HH11 ARG 29 HH11 ARG 29 15.776 -2.066 -13.983 222 HH12 ARG 29 HH12 ARG 29 15.109 -2.866 -15.367 223 HH21 ARG 29 HH21 ARG 29 12.344 -4.150 -13.653 224 HH22 ARG 29 HH22 ARG 29 13.157 -4.049 -15.179 225 H LEU 30 HN LEU 30 13.747 -0.550 -7.040 226 HA LEU 30 HA LEU 30 11.502 -1.996 -7.956 227 HB2 LEU 30 HB2 LEU 30 12.371 -0.837 -5.335 228 HB3 LEU 30 HB1 LEU 30 10.776 -1.534 -5.505 229 HG LEU 30 HG LEU 30 11.860 -3.678 -6.216 230 HD11 LEU 30 HD21 LEU 30 14.383 -2.279 -5.337 231 HD12 LEU 30 HD22 LEU 30 13.982 -2.746 -6.990 232 HD13 LEU 30 HD23 LEU 30 14.234 -3.984 -5.759 233 HD21 LEU 30 HD11 LEU 30 12.590 -4.295 -3.951 234 HD22 LEU 30 HD12 LEU 30 11.089 -3.368 -3.937 235 HD23 LEU 30 HD13 LEU 30 12.611 -2.588 -3.505 236 H MET 31 HN MET 31 12.070 1.378 -7.253 237 HA MET 31 HA MET 31 9.756 2.511 -6.649 238 HB2 MET 31 HB2 MET 31 10.304 4.330 -8.374 239 HB3 MET 31 HB1 MET 31 11.504 3.974 -7.139 240 HG2 MET 31 HG2 MET 31 13.013 3.425 -8.655 241 HG3 MET 31 HG1 MET 31 11.905 2.323 -9.463 242 HE1 MET 31 HE1 MET 31 14.099 3.878 -11.110 243 HE2 MET 31 HE2 MET 31 13.154 4.453 -12.484 244 HE3 MET 31 HE3 MET 31 12.890 2.828 -11.851 245 H MET 32 HN MET 32 10.324 0.980 -9.768 246 HA MET 32 HA MET 32 7.631 1.727 -10.632 247 HB2 MET 32 HB1 MET 32 8.293 0.903 -12.837 248 HB3 MET 32 HB2 MET 32 9.441 2.093 -12.241 249 HG2 MET 32 HG2 MET 32 10.955 0.286 -11.577 250 HG3 MET 32 HG1 MET 32 9.809 -0.893 -12.213 251 HE1 MET 32 HE1 MET 32 9.819 0.021 -16.044 252 HE2 MET 32 HE2 MET 32 8.761 0.711 -14.813 253 HE3 MET 32 HE3 MET 32 9.121 -1.016 -14.801 254 H ARG 33 HN ARG 33 9.634 -1.071 -9.895 255 HA ARG 33 HA ARG 33 7.803 -3.063 -10.676 256 HB2 ARG 33 HB2 ARG 33 10.020 -3.115 -8.626 257 HB3 ARG 33 HB1 ARG 33 9.127 -4.539 -9.141 258 HG2 ARG 33 HG1 ARG 33 9.909 -4.178 -11.440 259 HG3 ARG 33 HG2 ARG 33 10.840 -2.784 -10.887 260 HD2 ARG 33 HD2 ARG 33 12.171 -4.198 -9.446 261 HD3 ARG 33 HD1 ARG 33 11.187 -5.600 -9.864 262 HE ARG 33 HE ARG 33 12.236 -4.543 -12.225 263 HH11 ARG 33 HH11 ARG 33 13.341 -6.110 -9.316 264 HH12 ARG 33 HH12 ARG 33 14.718 -6.837 -10.076 265 HH21 ARG 33 HH21 ARG 33 14.046 -5.498 -13.234 266 HH22 ARG 33 HH22 ARG 33 15.118 -6.488 -12.302 267 H GLY 34 HN GLY 34 7.915 -0.990 -7.917 268 HA2 GLY 34 HA2 GLY 34 6.033 -2.692 -6.442 269 HA3 GLY 34 HA1 GLY 34 6.906 -1.316 -5.785 270 H GLU 35 HN GLU 35 6.323 0.570 -7.788 271 HA GLU 35 HA GLU 35 3.878 1.584 -6.892 272 HB2 GLU 35 HB2 GLU 35 5.604 3.000 -7.890 273 HB3 GLU 35 HB1 GLU 35 5.377 2.208 -9.443 274 HG2 GLU 35 HG1 GLU 35 3.027 3.037 -9.441 275 HG3 GLU 35 HG2 GLU 35 3.415 3.963 -7.992 276 H ALA 36 HN ALA 36 4.698 -0.261 -9.795 277 HA ALA 36 HA ALA 36 2.069 -0.141 -10.905 278 HB1 ALA 36 HB1 ALA 36 4.298 -2.082 -11.501 279 HB2 ALA 36 HB2 ALA 36 4.060 -0.518 -12.281 280 HB3 ALA 36 HB3 ALA 36 2.867 -1.800 -12.492 281 H LEU 37 HN LEU 37 3.659 -2.265 -8.644 282 HA LEU 37 HA LEU 37 1.826 -4.430 -8.866 283 HB2 LEU 37 HB2 LEU 37 4.214 -3.858 -7.449 284 HB3 LEU 37 HB1 LEU 37 3.012 -4.372 -6.282 285 HG LEU 37 HG LEU 37 2.612 -6.378 -7.826 286 HD11 LEU 37 HD11 LEU 37 3.760 -5.482 -9.786 287 HD12 LEU 37 HD12 LEU 37 4.486 -6.999 -9.254 288 HD13 LEU 37 HD13 LEU 37 5.279 -5.466 -8.892 289 HD21 LEU 37 HD21 LEU 37 5.251 -6.069 -6.410 290 HD22 LEU 37 HD22 LEU 37 4.497 -7.598 -6.859 291 HD23 LEU 37 HD23 LEU 37 3.722 -6.547 -5.673 292 H VAL 38 HN VAL 38 2.044 -1.664 -6.675 293 HA VAL 38 HA VAL 38 -0.017 -2.541 -4.924 294 HB VAL 38 HB VAL 38 1.272 -0.909 -3.924 295 HG11 VAL 38 HG21 VAL 38 1.049 0.696 -6.455 296 HG12 VAL 38 HG22 VAL 38 2.484 -0.112 -5.822 297 HG13 VAL 38 HG23 VAL 38 1.802 1.274 -4.970 298 HG21 VAL 38 HG11 VAL 38 -1.101 -0.426 -3.580 299 HG22 VAL 38 HG12 VAL 38 -1.083 0.648 -4.978 300 HG23 VAL 38 HG13 VAL 38 -0.130 1.044 -3.549 301 H TYR 39 HN TYR 39 -0.005 -0.476 -7.794 302 HA TYR 39 HA TYR 39 -2.806 0.088 -7.636 303 HB2 TYR 39 HB1 TYR 39 -2.274 1.652 -9.143 304 HB3 TYR 39 HB2 TYR 39 -0.619 1.063 -9.100 305 HD1 TYR 39 HD2 TYR 39 -3.788 0.978 -10.951 306 HD2 TYR 39 HD1 TYR 39 0.275 -0.281 -10.890 307 HE1 TYR 39 HE2 TYR 39 -3.958 0.340 -13.319 308 HE2 TYR 39 HE1 TYR 39 0.116 -0.922 -13.260 309 HH TYR 39 HH TYR 39 -2.478 0.003 -15.245 310 H ALA 40 HN ALA 40 -0.857 -2.433 -9.007 311 HA ALA 40 HA ALA 40 -2.672 -3.440 -10.912 312 HB1 ALA 40 HB1 ALA 40 -1.364 -5.492 -10.824 313 HB2 ALA 40 HB2 ALA 40 -0.587 -4.947 -9.337 314 HB3 ALA 40 HB3 ALA 40 -0.306 -4.081 -10.847 315 H TRP 41 HN TRP 41 -2.160 -4.219 -7.495 316 HA TRP 41 HA TRP 41 -4.166 -6.226 -7.375 317 HB2 TRP 41 HB2 TRP 41 -2.782 -4.590 -5.243 318 HB3 TRP 41 HB1 TRP 41 -3.960 -5.841 -4.864 319 HD1 TRP 41 HD1 TRP 41 -0.341 -5.355 -5.446 320 HE1 TRP 41 HE1 TRP 41 0.859 -7.625 -5.601 321 HE3 TRP 41 HE3 TRP 41 -4.421 -8.402 -5.898 322 HZ2 TRP 41 HZ2 TRP 41 0.170 -10.347 -5.878 323 HZ3 TRP 41 HZ3 TRP 41 -4.063 -10.828 -6.104 324 HH2 TRP 41 HH2 TRP 41 -1.815 -11.778 -6.094 325 H MET 42 HN MET 42 -4.131 -2.756 -6.970 326 HA MET 42 HA MET 42 -6.616 -2.455 -5.697 327 HB2 MET 42 HB1 MET 42 -4.713 -0.753 -6.055 328 HB3 MET 42 HB2 MET 42 -5.471 -0.447 -7.613 329 HG2 MET 42 HG2 MET 42 -6.179 1.160 -5.931 330 HG3 MET 42 HG1 MET 42 -7.531 0.189 -6.515 331 HE1 MET 42 HE1 MET 42 -8.417 0.883 -2.753 332 HE2 MET 42 HE2 MET 42 -8.858 1.166 -4.437 333 HE3 MET 42 HE3 MET 42 -7.450 1.971 -3.747 334 H ARG 43 HN ARG 43 -5.761 -2.204 -9.156 335 HA ARG 43 HA ARG 43 -8.356 -1.671 -10.075 336 HB2 ARG 43 HB2 ARG 43 -7.519 -2.332 -12.283 337 HB3 ARG 43 HB1 ARG 43 -6.384 -1.279 -11.449 338 HG2 ARG 43 HG2 ARG 43 -5.087 -3.290 -10.792 339 HG3 ARG 43 HG1 ARG 43 -6.179 -4.265 -11.776 340 HD2 ARG 43 HD1 ARG 43 -5.556 -2.902 -13.744 341 HD3 ARG 43 HD2 ARG 43 -4.397 -2.032 -12.739 342 HE ARG 43 HE ARG 43 -3.755 -4.688 -12.460 343 HH11 ARG 43 HH11 ARG 43 -4.017 -2.433 -15.105 344 HH12 ARG 43 HH12 ARG 43 -2.802 -3.215 -16.060 345 HH21 ARG 43 HH21 ARG 43 -2.154 -5.721 -13.711 346 HH22 ARG 43 HH22 ARG 43 -1.743 -5.084 -15.268 347 H ARG 44 HN ARG 44 -7.072 -4.510 -8.768 348 HA ARG 44 HA ARG 44 -8.866 -6.295 -10.199 349 HB2 ARG 44 HB2 ARG 44 -6.852 -6.754 -7.995 350 HB3 ARG 44 HB1 ARG 44 -7.862 -8.029 -8.664 351 HG2 ARG 44 HG2 ARG 44 -6.877 -7.614 -10.881 352 HG3 ARG 44 HG1 ARG 44 -5.831 -6.387 -10.164 353 HD2 ARG 44 HD2 ARG 44 -4.626 -8.475 -10.399 354 HD3 ARG 44 HD1 ARG 44 -4.858 -8.096 -8.693 355 HE ARG 44 HE ARG 44 -6.964 -9.700 -9.284 356 HH11 ARG 44 HH11 ARG 44 -3.516 -9.996 -9.683 357 HH12 ARG 44 HH12 ARG 44 -3.514 -11.720 -9.516 358 HH21 ARG 44 HH21 ARG 44 -6.973 -11.970 -9.063 359 HH22 ARG 44 HH22 ARG 44 -5.479 -12.841 -9.165 360 H LEU 45 HN LEU 45 -8.658 -4.609 -7.191 361 HA LEU 45 HA LEU 45 -10.712 -6.097 -5.853 362 HB2 LEU 45 HB2 LEU 45 -9.738 -3.341 -5.145 363 HB3 LEU 45 HB1 LEU 45 -10.538 -4.494 -4.101 364 HG LEU 45 HG LEU 45 -7.758 -4.784 -5.237 365 HD11 LEU 45 HD11 LEU 45 -7.038 -4.524 -2.918 366 HD12 LEU 45 HD12 LEU 45 -8.710 -4.258 -2.426 367 HD13 LEU 45 HD13 LEU 45 -7.907 -3.097 -3.483 368 HD21 LEU 45 HD21 LEU 45 -8.833 -6.948 -5.028 369 HD22 LEU 45 HD22 LEU 45 -9.310 -6.573 -3.372 370 HD23 LEU 45 HD23 LEU 45 -7.603 -6.752 -3.779 371 H CYS 46 HN CYS 46 -10.620 -3.312 -7.954 372 HA CYS 46 HA CYS 46 -13.539 -3.082 -7.671 373 HB2 CYS 46 HB2 CYS 46 -12.411 -1.129 -6.640 374 HB3 CYS 46 HB1 CYS 46 -11.627 -0.792 -8.181 375 HG CYS 46 HG CYS 46 -13.875 -0.047 -9.526 376 H GLU 47 HN GLU 47 -14.646 -3.252 -9.523 377 HA GLU 47 HA GLU 47 -13.246 -3.808 -11.965 378 HB2 GLU 47 HB2 GLU 47 -15.499 -4.138 -12.912 379 HB3 GLU 47 HB1 GLU 47 -15.276 -5.039 -11.419 380 HG2 GLU 47 HG2 GLU 47 -16.469 -3.246 -10.207 381 HG3 GLU 47 HG1 GLU 47 -16.770 -2.449 -11.752 382 H ARG 48 HN ARG 48 -14.703 -1.074 -10.489 383 HA ARG 48 HA ARG 48 -14.585 0.448 -13.002 384 HB2 ARG 48 HB2 ARG 48 -15.931 1.146 -10.381 385 HB3 ARG 48 HB1 ARG 48 -15.969 2.124 -11.843 386 HG2 ARG 48 HG1 ARG 48 -17.106 -0.653 -11.576 387 HG3 ARG 48 HG2 ARG 48 -18.034 0.847 -11.512 388 HD2 ARG 48 HD2 ARG 48 -16.432 -0.178 -13.851 389 HD3 ARG 48 HD1 ARG 48 -18.191 -0.139 -13.720 390 HE ARG 48 HE ARG 48 -17.186 2.460 -13.369 391 HH11 ARG 48 HH11 ARG 48 -17.560 0.042 -15.849 392 HH12 ARG 48 HH12 ARG 48 -17.652 1.194 -17.138 393 HH21 ARG 48 HH21 ARG 48 -17.305 3.983 -15.060 394 HH22 ARG 48 HH22 ARG 48 -17.505 3.434 -16.691 395 H TYR 49 HN TYR 49 -12.162 -0.144 -12.011 396 HA TYR 49 HA TYR 49 -11.279 2.323 -10.670 397 HB2 TYR 49 HB2 TYR 49 -11.020 -0.143 -9.630 398 HB3 TYR 49 HB1 TYR 49 -9.548 -0.087 -10.597 399 HD1 TYR 49 HD2 TYR 49 -8.040 2.002 -10.267 400 HD2 TYR 49 HD1 TYR 49 -11.034 0.768 -7.515 401 HE1 TYR 49 HE2 TYR 49 -6.930 3.295 -8.491 402 HE2 TYR 49 HE1 TYR 49 -9.938 2.047 -5.730 403 HH TYR 49 HH TYR 49 -7.494 4.334 -6.343 404 H ASN 50 HN ASN 50 -10.731 3.537 -12.452 405 HA ASN 50 HA ASN 50 -9.159 2.395 -14.589 406 HB2 ASN 50 HB1 ASN 50 -10.173 5.188 -14.048 407 HB3 ASN 50 HB2 ASN 50 -9.165 4.788 -15.436 408 HD21 ASN 50 HD21 ASN 50 -11.582 2.636 -14.108 409 HD22 ASN 50 HD22 ASN 50 -12.668 2.722 -15.448 410 H GLY 51 HN GLY 51 -8.594 5.362 -12.693 411 HA2 GLY 51 HA2 GLY 51 -5.911 4.461 -12.011 412 HA3 GLY 51 HA1 GLY 51 -6.000 5.840 -13.095 413 H ALA 52 HN ALA 52 -4.738 6.074 -10.659 414 HA ALA 52 HA ALA 52 -6.284 8.189 -9.461 415 HB1 ALA 52 HB1 ALA 52 -6.307 7.277 -7.206 416 HB2 ALA 52 HB2 ALA 52 -5.576 5.782 -7.790 417 HB3 ALA 52 HB3 ALA 52 -7.199 6.233 -8.312 418 H TYR 53 HN TYR 53 -5.064 9.404 -7.848 419 HA TYR 53 HA TYR 53 -2.223 9.368 -8.458 420 HB2 TYR 53 HB2 TYR 53 -4.097 11.355 -7.238 421 HB3 TYR 53 HB1 TYR 53 -2.369 11.506 -6.938 422 HD1 TYR 53 HD1 TYR 53 -0.934 11.157 -9.216 423 HD2 TYR 53 HD2 TYR 53 -4.917 12.630 -8.970 424 HE1 TYR 53 HE1 TYR 53 -0.644 12.289 -11.383 425 HE2 TYR 53 HE2 TYR 53 -4.641 13.762 -11.137 426 HH TYR 53 HH TYR 53 -2.831 14.614 -12.552 427 H TRP 54 HN TRP 54 -1.376 7.692 -7.326 428 HA TRP 54 HA TRP 54 -1.933 7.227 -4.569 429 HB2 TRP 54 HB1 TRP 54 0.256 6.129 -6.340 430 HB3 TRP 54 HB2 TRP 54 -0.166 5.518 -4.741 431 HD1 TRP 54 HD1 TRP 54 -1.691 5.836 -8.277 432 HE1 TRP 54 HE1 TRP 54 -3.461 3.988 -8.553 433 HE3 TRP 54 HE3 TRP 54 -1.601 3.921 -3.543 434 HZ2 TRP 54 HZ2 TRP 54 -4.653 1.979 -6.972 435 HZ3 TRP 54 HZ3 TRP 54 -3.087 2.036 -3.006 436 HH2 TRP 54 HH2 TRP 54 -4.581 1.088 -4.687 437 H HIS 55 HN HIS 55 -1.448 9.343 -3.734 438 HA HIS 55 HA HIS 55 0.979 10.634 -3.754 439 HB2 HIS 55 HB2 HIS 55 -0.898 10.413 -1.390 440 HB3 HIS 55 HB1 HIS 55 0.320 11.660 -1.632 441 HD1 HIS 55 HD1 HIS 55 -0.201 13.515 -3.356 442 HD2 HIS 55 HD2 HIS 55 -3.249 10.735 -2.862 443 HE1 HIS 55 HE1 HIS 55 -2.219 14.526 -4.466 444 HE2 HIS 55 HE2 HIS 55 -4.074 12.869 -4.071 445 H TYR 56 HN TYR 56 2.816 10.580 -2.469 446 HA TYR 56 HA TYR 56 3.371 7.966 -1.308 447 HB2 TYR 56 HB1 TYR 56 5.226 10.279 -1.915 448 HB3 TYR 56 HB2 TYR 56 5.732 8.705 -1.307 449 HD1 TYR 56 HD2 TYR 56 3.988 6.929 -2.960 450 HD2 TYR 56 HD1 TYR 56 6.250 10.372 -4.023 451 HE1 TYR 56 HE2 TYR 56 4.161 6.096 -5.266 452 HE2 TYR 56 HE1 TYR 56 6.426 9.550 -6.332 453 HH TYR 56 HH TYR 56 4.541 7.010 -7.529 454 H TYR 57 HN TYR 57 3.544 7.600 0.795 455 HA TYR 57 HA TYR 57 3.461 9.929 2.593 456 HB2 TYR 57 HB2 TYR 57 2.095 7.265 2.754 457 HB3 TYR 57 HB1 TYR 57 2.414 8.189 4.219 458 HD1 TYR 57 HD2 TYR 57 0.513 8.099 1.077 459 HD2 TYR 57 HD1 TYR 57 1.222 10.225 4.692 460 HE1 TYR 57 HE2 TYR 57 -1.516 9.433 0.686 461 HE2 TYR 57 HE1 TYR 57 -0.800 11.563 4.312 462 HH TYR 57 HH TYR 57 -2.227 12.254 2.428 463 H ALA 58 HN ALA 58 4.805 10.030 4.307 464 HA ALA 58 HA ALA 58 6.943 8.018 4.397 465 HB1 ALA 58 HB1 ALA 58 8.320 9.731 5.425 466 HB2 ALA 58 HB2 ALA 58 6.950 10.842 5.457 467 HB3 ALA 58 HB3 ALA 58 7.633 10.328 3.915 468 H LEU 59 HN LEU 59 6.322 6.489 5.828 469 HA LEU 59 HA LEU 59 4.897 7.105 8.230 470 HB2 LEU 59 HB2 LEU 59 6.100 4.644 7.038 471 HB3 LEU 59 HB1 LEU 59 5.612 4.633 8.721 472 HG LEU 59 HG LEU 59 3.663 5.506 6.627 473 HD11 LEU 59 HD21 LEU 59 4.529 3.410 5.778 474 HD12 LEU 59 HD22 LEU 59 2.905 3.178 6.426 475 HD13 LEU 59 HD23 LEU 59 4.310 2.653 7.357 476 HD21 LEU 59 HD11 LEU 59 2.062 4.614 8.229 477 HD22 LEU 59 HD12 LEU 59 3.121 5.799 8.995 478 HD23 LEU 59 HD13 LEU 59 3.383 4.075 9.265 479 H SER 60 HN SER 60 5.636 7.064 10.341 480 HA SER 60 HA SER 60 8.287 8.021 10.736 481 HB2 SER 60 HB1 SER 60 6.210 7.152 12.759 482 HB3 SER 60 HB2 SER 60 7.689 8.037 13.133 483 HG SER 60 HG SER 60 6.016 9.110 11.182 484 H ASP 61 HN ASP 61 6.809 4.896 10.865 485 HA ASP 61 HA ASP 61 9.387 3.673 11.345 486 HB2 ASP 61 HB1 ASP 61 7.080 3.383 13.264 487 HB3 ASP 61 HB2 ASP 61 8.367 2.190 13.155 488 H GLY 62 HN GLY 62 6.952 3.864 9.436 489 HA2 GLY 62 HA2 GLY 62 6.618 0.954 9.064 490 HA3 GLY 62 HA1 GLY 62 5.385 2.132 8.647 491 H GLY 63 HN GLY 63 8.494 3.228 7.942 492 HA2 GLY 63 HA1 GLY 63 9.756 3.285 6.004 493 HA3 GLY 63 HA2 GLY 63 8.752 1.996 5.354 494 H PHE 64 HN PHE 64 6.694 2.558 4.427 495 HA PHE 64 HA PHE 64 5.754 5.162 4.064 496 HB2 PHE 64 HB1 PHE 64 6.468 5.672 1.791 497 HB3 PHE 64 HB2 PHE 64 7.876 5.486 2.832 498 HD1 PHE 64 HD2 PHE 64 9.137 3.302 2.773 499 HD2 PHE 64 HD1 PHE 64 6.207 4.362 -0.125 500 HE1 PHE 64 HE2 PHE 64 10.053 1.614 1.236 501 HE2 PHE 64 HE1 PHE 64 7.116 2.674 -1.666 502 HZ PHE 64 HZ PHE 64 9.040 1.299 -0.985 503 H TYR 65 HN TYR 65 3.810 5.178 3.015 504 HA TYR 65 HA TYR 65 3.046 2.750 1.548 505 HB2 TYR 65 HB2 TYR 65 1.192 2.320 2.806 506 HB3 TYR 65 HB1 TYR 65 2.181 3.069 4.052 507 HD1 TYR 65 HD1 TYR 65 1.708 5.370 4.803 508 HD2 TYR 65 HD2 TYR 65 -0.777 3.387 1.971 509 HE1 TYR 65 HE1 TYR 65 -0.055 7.038 5.193 510 HE2 TYR 65 HE2 TYR 65 -2.545 5.057 2.352 511 HH TYR 65 HH TYR 65 -2.007 7.959 4.027 512 H MET 66 HN MET 66 1.469 3.016 -0.061 513 HA MET 66 HA MET 66 1.208 5.789 -1.025 514 HB2 MET 66 HB1 MET 66 0.960 3.168 -2.513 515 HB3 MET 66 HB2 MET 66 0.791 4.762 -3.232 516 HG2 MET 66 HG2 MET 66 3.057 5.251 -2.972 517 HG3 MET 66 HG1 MET 66 3.293 3.954 -1.802 518 HE1 MET 66 HE1 MET 66 1.222 3.764 -5.030 519 HE2 MET 66 HE2 MET 66 2.292 2.984 -6.193 520 HE3 MET 66 HE3 MET 66 2.575 4.661 -5.720 521 H ALA 67 HN ALA 67 -0.722 6.729 -1.272 522 HA ALA 67 HA ALA 67 -3.135 5.051 -1.073 523 HB1 ALA 67 HB1 ALA 67 -2.725 7.722 0.268 524 HB2 ALA 67 HB2 ALA 67 -2.752 6.154 1.074 525 HB3 ALA 67 HB3 ALA 67 -4.208 6.766 0.290 526 HA PRO 68 HA PRO 68 -4.141 7.177 -4.855 527 HB2 PRO 68 HB2 PRO 68 -6.747 6.410 -5.022 528 HB3 PRO 68 HB1 PRO 68 -5.400 5.343 -5.427 529 HG2 PRO 68 HG1 PRO 68 -7.005 5.493 -2.904 530 HG3 PRO 68 HG2 PRO 68 -6.455 4.063 -3.798 531 HD2 PRO 68 HD2 PRO 68 -5.194 4.953 -1.581 532 HD3 PRO 68 HD1 PRO 68 -4.323 4.179 -2.919 533 H ASP 69 HN ASP 69 -5.515 8.906 -5.591 534 HA ASP 69 HA ASP 69 -6.450 10.572 -3.371 535 HB2 ASP 69 HB2 ASP 69 -4.727 11.486 -4.912 536 HB3 ASP 69 HB1 ASP 69 -5.882 11.354 -6.235 537 H LEU 70 HN LEU 70 -8.497 9.503 -3.109 538 HA LEU 70 HA LEU 70 -10.466 10.421 -5.075 539 HB2 LEU 70 HB2 LEU 70 -10.208 7.613 -4.025 540 HB3 LEU 70 HB1 LEU 70 -11.715 8.230 -4.666 541 HG LEU 70 HG LEU 70 -10.754 7.034 -6.432 542 HD11 LEU 70 HD21 LEU 70 -11.579 9.189 -7.159 543 HD12 LEU 70 HD22 LEU 70 -10.175 8.719 -8.117 544 HD13 LEU 70 HD23 LEU 70 -10.009 9.925 -6.840 545 HD21 LEU 70 HD11 LEU 70 -8.548 6.702 -5.524 546 HD22 LEU 70 HD12 LEU 70 -8.146 8.397 -5.795 547 HD23 LEU 70 HD13 LEU 70 -8.425 7.326 -7.168 548 H ALA 71 HN ALA 71 -11.683 11.792 -3.972 549 HA ALA 71 HA ALA 71 -12.162 11.394 -1.129 550 HB1 ALA 71 HB1 ALA 71 -13.001 13.654 -2.943 551 HB2 ALA 71 HB2 ALA 71 -11.565 13.627 -1.920 552 HB3 ALA 71 HB3 ALA 71 -13.169 13.617 -1.187 553 H GLY 72 HN GLY 72 -13.796 10.122 -0.527 554 HA2 GLY 72 HA1 GLY 72 -16.377 10.363 -0.608 555 HA3 GLY 72 HA2 GLY 72 -16.139 9.897 -2.286 556 H ARG 73 HN ARG 73 -17.475 8.060 -1.890 557 HA ARG 73 HA ARG 73 -16.258 5.969 -0.233 558 HB2 ARG 73 HB2 ARG 73 -19.067 6.145 -1.338 559 HB3 ARG 73 HB1 ARG 73 -18.455 4.883 -0.278 560 HG2 ARG 73 HG1 ARG 73 -18.152 6.477 1.511 561 HG3 ARG 73 HG2 ARG 73 -18.646 7.799 0.450 562 HD2 ARG 73 HD2 ARG 73 -20.859 6.787 0.218 563 HD3 ARG 73 HD1 ARG 73 -20.368 5.464 1.274 564 HE ARG 73 HE ARG 73 -19.990 7.948 2.570 565 HH11 ARG 73 HH11 ARG 73 -22.488 5.727 1.585 566 HH12 ARG 73 HH12 ARG 73 -23.584 6.201 2.839 567 HH21 ARG 73 HH21 ARG 73 -21.427 8.579 4.225 568 HH22 ARG 73 HH22 ARG 73 -22.981 7.822 4.340 569 H LEU 74 HN LEU 74 -15.004 4.654 -1.342 570 HA LEU 74 HA LEU 74 -15.585 4.095 -4.158 571 HB2 LEU 74 HB1 LEU 74 -13.132 3.440 -2.526 572 HB3 LEU 74 HB2 LEU 74 -13.315 3.182 -4.249 573 HG LEU 74 HG LEU 74 -13.363 5.891 -2.918 574 HD11 LEU 74 HD21 LEU 74 -11.153 4.538 -4.457 575 HD12 LEU 74 HD22 LEU 74 -11.172 4.815 -2.716 576 HD13 LEU 74 HD23 LEU 74 -11.127 6.184 -3.825 577 HD21 LEU 74 HD11 LEU 74 -14.613 5.812 -5.006 578 HD22 LEU 74 HD12 LEU 74 -13.227 5.084 -5.820 579 HD23 LEU 74 HD13 LEU 74 -13.121 6.733 -5.202 580 H GLU 75 HN GLU 75 -16.253 2.147 -4.854 581 HA GLU 75 HA GLU 75 -16.850 0.119 -2.871 582 HB2 GLU 75 HB1 GLU 75 -17.933 -1.049 -4.819 583 HB3 GLU 75 HB2 GLU 75 -18.587 0.540 -4.454 584 HG2 GLU 75 HG2 GLU 75 -17.279 1.499 -6.280 585 HG3 GLU 75 HG1 GLU 75 -16.627 -0.097 -6.648 586 H ILE 76 HN ILE 76 -14.905 -0.781 -2.271 587 HA ILE 76 HA ILE 76 -13.338 -2.072 -4.401 588 HB ILE 76 HB ILE 76 -12.562 -0.949 -1.742 589 HG12 ILE 76 HG12 ILE 76 -12.332 0.251 -3.981 590 HG13 ILE 76 HG11 ILE 76 -10.881 0.170 -2.987 591 HG21 ILE 76 HG21 ILE 76 -10.400 -2.147 -1.885 592 HG22 ILE 76 HG22 ILE 76 -11.067 -3.121 -3.195 593 HG23 ILE 76 HG23 ILE 76 -11.769 -3.217 -1.582 594 HD11 ILE 76 HD11 ILE 76 -9.955 -1.537 -4.360 595 HD12 ILE 76 HD12 ILE 76 -10.524 -0.245 -5.416 596 HD13 ILE 76 HD13 ILE 76 -11.468 -1.725 -5.243 597 H GLU 77 HN GLU 77 -14.093 -4.064 -4.657 598 HA GLU 77 HA GLU 77 -14.710 -5.688 -2.305 599 HB2 GLU 77 HB2 GLU 77 -15.628 -7.303 -4.021 600 HB3 GLU 77 HB1 GLU 77 -16.459 -5.758 -3.905 601 HG2 GLU 77 HG2 GLU 77 -15.252 -4.966 -5.879 602 HG3 GLU 77 HG1 GLU 77 -14.437 -6.525 -5.999 603 H VAL 78 HN VAL 78 -12.943 -6.578 -1.487 604 HA VAL 78 HA VAL 78 -10.683 -7.374 -3.038 605 HB VAL 78 HB VAL 78 -10.089 -8.590 -0.799 606 HG11 VAL 78 HG21 VAL 78 -8.988 -6.580 -1.614 607 HG12 VAL 78 HG22 VAL 78 -9.262 -6.479 0.126 608 HG13 VAL 78 HG23 VAL 78 -10.306 -5.590 -0.984 609 HG21 VAL 78 HG11 VAL 78 -12.264 -6.743 0.142 610 HG22 VAL 78 HG12 VAL 78 -11.165 -7.676 1.153 611 HG23 VAL 78 HG13 VAL 78 -12.338 -8.505 0.131 612 H ASN 79 HN ASN 79 -10.781 -9.075 -4.390 613 HA ASN 79 HA ASN 79 -12.563 -11.256 -4.018 614 HB2 ASN 79 HB2 ASN 79 -10.076 -11.379 -5.713 615 HB3 ASN 79 HB1 ASN 79 -11.628 -12.168 -5.981 616 HD21 ASN 79 HD21 ASN 79 -9.873 -9.171 -6.137 617 HD22 ASN 79 HD22 ASN 79 -10.976 -8.348 -7.182 618 H GLY 80 HN GLY 80 -9.212 -10.654 -3.199 619 HA2 GLY 80 HA2 GLY 80 -8.219 -13.137 -2.646 620 HA3 GLY 80 HA1 GLY 80 -7.832 -11.716 -1.690 621 H ASN 81 HN ASN 81 -10.558 -11.346 -0.741 622 HA ASN 81 HA ASN 81 -10.914 -13.741 0.920 623 HB2 ASN 81 HB1 ASN 81 -11.481 -12.015 2.795 624 HB3 ASN 81 HB2 ASN 81 -9.800 -12.419 2.460 625 HD21 ASN 81 HD21 ASN 81 -11.415 -9.988 3.425 626 HD22 ASN 81 HD22 ASN 81 -10.709 -8.681 2.553 627 H GLY 82 HN GLY 82 -12.258 -11.997 -1.352 628 HA2 GLY 82 HA1 GLY 82 -14.389 -11.590 -2.057 629 HA3 GLY 82 HA2 GLY 82 -14.859 -12.871 -0.953 630 H PHE 83 HN PHE 83 -13.329 -9.975 0.307 631 HA PHE 83 HA PHE 83 -15.808 -9.407 1.720 632 HB2 PHE 83 HB2 PHE 83 -13.929 -9.342 3.146 633 HB3 PHE 83 HB1 PHE 83 -12.993 -8.379 2.007 634 HD1 PHE 83 HD2 PHE 83 -16.026 -8.239 4.153 635 HD2 PHE 83 HD1 PHE 83 -12.908 -6.074 2.230 636 HE1 PHE 83 HE2 PHE 83 -16.760 -6.183 5.285 637 HE2 PHE 83 HE1 PHE 83 -13.637 -4.013 3.358 638 HZ PHE 83 HZ PHE 83 -15.566 -4.067 4.887 639 H ARG 84 HN ARG 84 -17.269 -8.179 0.805 640 HA ARG 84 HA ARG 84 -16.449 -6.071 -1.046 641 HB2 ARG 84 HB1 ARG 84 -18.205 -7.608 -1.798 642 HB3 ARG 84 HB2 ARG 84 -19.190 -7.179 -0.406 643 HG2 ARG 84 HG1 ARG 84 -19.273 -4.851 -1.237 644 HG3 ARG 84 HG2 ARG 84 -18.390 -5.369 -2.674 645 HD2 ARG 84 HD2 ARG 84 -20.816 -5.252 -3.061 646 HD3 ARG 84 HD1 ARG 84 -20.181 -6.883 -3.270 647 HE ARG 84 HE ARG 84 -21.014 -6.808 -0.675 648 HH11 ARG 84 HH11 ARG 84 -22.519 -6.165 -3.751 649 HH12 ARG 84 HH12 ARG 84 -24.094 -6.659 -3.228 650 HH21 ARG 84 HH21 ARG 84 -23.084 -7.461 0.021 651 HH22 ARG 84 HH22 ARG 84 -24.415 -7.395 -1.084 652 H GLY 85 HN GLY 85 -16.087 -4.138 -0.191 653 HA2 GLY 85 HA2 GLY 85 -18.049 -2.932 1.550 654 HA3 GLY 85 HA1 GLY 85 -16.517 -3.258 2.343 655 H GLU 86 HN GLU 86 -18.167 -0.828 1.190 656 HA GLU 86 HA GLU 86 -16.363 0.459 -0.594 657 HB2 GLU 86 HB2 GLU 86 -18.482 1.714 1.161 658 HB3 GLU 86 HB1 GLU 86 -17.736 2.438 -0.257 659 HG2 GLU 86 HG2 GLU 86 -18.728 0.692 -1.660 660 HG3 GLU 86 HG1 GLU 86 -19.494 -0.005 -0.233 661 H LEU 87 HN LEU 87 -14.519 1.468 -0.150 662 HA LEU 87 HA LEU 87 -14.063 2.439 2.592 663 HB2 LEU 87 HB2 LEU 87 -12.440 0.606 0.941 664 HB3 LEU 87 HB1 LEU 87 -11.548 1.867 1.768 665 HG LEU 87 HG LEU 87 -11.523 -0.113 3.118 666 HD11 LEU 87 HD11 LEU 87 -13.440 1.911 4.260 667 HD12 LEU 87 HD12 LEU 87 -11.680 1.997 4.313 668 HD13 LEU 87 HD13 LEU 87 -12.528 0.720 5.185 669 HD21 LEU 87 HD21 LEU 87 -13.480 -1.230 2.213 670 HD22 LEU 87 HD22 LEU 87 -14.534 -0.035 2.971 671 HD23 LEU 87 HD23 LEU 87 -13.582 -1.133 3.971 672 H SER 88 HN SER 88 -12.306 4.063 2.721 673 HA SER 88 HA SER 88 -12.630 6.010 0.602 674 HB2 SER 88 HB2 SER 88 -11.383 7.518 2.107 675 HB3 SER 88 HB1 SER 88 -12.732 6.750 2.944 676 HG SER 88 HG SER 88 -11.001 5.128 3.544 677 H ALA 89 HN ALA 89 -10.800 7.060 -0.422 678 HA ALA 89 HA ALA 89 -9.022 5.325 -1.628 679 HB1 ALA 89 HB1 ALA 89 -9.636 7.678 -2.333 680 HB2 ALA 89 HB2 ALA 89 -7.948 7.213 -2.549 681 HB3 ALA 89 HB3 ALA 89 -8.415 8.236 -1.189 682 H ASP 90 HN ASP 90 -8.764 6.956 1.423 683 HA ASP 90 HA ASP 90 -5.951 6.539 1.745 684 HB2 ASP 90 HB2 ASP 90 -7.165 8.375 2.876 685 HB3 ASP 90 HB1 ASP 90 -8.051 7.186 3.824 686 H ALA 91 HN ALA 91 -8.812 5.103 3.342 687 HA ALA 91 HA ALA 91 -7.322 3.116 4.705 688 HB1 ALA 91 HB1 ALA 91 -10.263 3.108 4.048 689 HB2 ALA 91 HB2 ALA 91 -9.532 3.891 5.448 690 HB3 ALA 91 HB3 ALA 91 -9.459 2.136 5.281 691 H ALA 92 HN ALA 92 -8.301 3.338 1.448 692 HA ALA 92 HA ALA 92 -8.309 0.454 1.035 693 HB1 ALA 92 HB1 ALA 92 -8.706 2.705 -0.935 694 HB2 ALA 92 HB2 ALA 92 -9.988 1.801 -0.131 695 HB3 ALA 92 HB3 ALA 92 -8.916 0.986 -1.269 696 H GLY 93 HN GLY 93 -6.374 3.308 0.334 697 HA2 GLY 93 HA2 GLY 93 -4.507 2.122 -1.396 698 HA3 GLY 93 HA1 GLY 93 -4.204 3.529 -0.383 699 H ILE 94 HN ILE 94 -5.080 1.608 1.909 700 HA ILE 94 HA ILE 94 -2.418 0.908 2.698 701 HB ILE 94 HB ILE 94 -4.823 -0.230 4.065 702 HG12 ILE 94 HG12 ILE 94 -5.474 2.083 3.581 703 HG13 ILE 94 HG11 ILE 94 -5.160 1.869 5.299 704 HG21 ILE 94 HG21 ILE 94 -3.481 0.238 6.070 705 HG22 ILE 94 HG22 ILE 94 -2.220 0.926 5.049 706 HG23 ILE 94 HG23 ILE 94 -2.627 -0.785 4.915 707 HD11 ILE 94 HD11 ILE 94 -3.056 2.978 5.119 708 HD12 ILE 94 HD12 ILE 94 -4.291 3.984 4.358 709 HD13 ILE 94 HD13 ILE 94 -3.186 3.038 3.361 710 H VAL 95 HN VAL 95 -5.252 -0.849 1.570 711 HA VAL 95 HA VAL 95 -4.091 -3.444 1.891 712 HB VAL 95 HB VAL 95 -6.524 -2.603 0.310 713 HG11 VAL 95 HG11 VAL 95 -5.708 -4.777 -0.389 714 HG12 VAL 95 HG12 VAL 95 -7.203 -4.953 0.530 715 HG13 VAL 95 HG13 VAL 95 -5.653 -5.318 1.287 716 HG21 VAL 95 HG21 VAL 95 -6.716 -1.988 2.656 717 HG22 VAL 95 HG22 VAL 95 -6.289 -3.631 3.136 718 HG23 VAL 95 HG23 VAL 95 -7.798 -3.327 2.274 719 H ALA 96 HN ALA 96 -4.189 -1.063 -0.661 720 HA ALA 96 HA ALA 96 -3.593 -2.863 -2.793 721 HB1 ALA 96 HB1 ALA 96 -3.206 0.120 -2.657 722 HB2 ALA 96 HB2 ALA 96 -4.683 -0.704 -3.157 723 HB3 ALA 96 HB3 ALA 96 -3.212 -0.870 -4.116 724 H THR 97 HN THR 97 -1.584 -0.558 -0.947 725 HA THR 97 HA THR 97 0.821 -1.263 -2.296 726 HB THR 97 HB THR 97 0.680 0.908 -1.257 727 HG1 THR 97 HG1 THR 97 2.527 0.086 0.502 728 HG21 THR 97 HG21 THR 97 0.476 -0.531 1.390 729 HG22 THR 97 HG22 THR 97 -0.849 0.308 0.582 730 HG23 THR 97 HG23 THR 97 0.552 1.215 1.150 731 H LEU 98 HN LEU 98 -0.654 -2.218 0.778 732 HA LEU 98 HA LEU 98 1.441 -3.729 1.814 733 HB2 LEU 98 HB2 LEU 98 -1.530 -3.860 2.117 734 HB3 LEU 98 HB1 LEU 98 -0.536 -5.117 2.826 735 HG LEU 98 HG LEU 98 -0.277 -2.169 3.431 736 HD11 LEU 98 HD21 LEU 98 -1.528 -4.401 5.026 737 HD12 LEU 98 HD22 LEU 98 -2.373 -3.043 4.282 738 HD13 LEU 98 HD23 LEU 98 -1.247 -2.760 5.610 739 HD21 LEU 98 HD11 LEU 98 1.826 -3.326 3.700 740 HD22 LEU 98 HD12 LEU 98 1.042 -4.595 4.641 741 HD23 LEU 98 HD13 LEU 98 1.147 -2.956 5.286 742 H PHE 99 HN PHE 99 -1.251 -4.846 -0.257 743 HA PHE 99 HA PHE 99 -0.494 -7.526 -0.401 744 HB2 PHE 99 HB1 PHE 99 -2.221 -5.724 -1.984 745 HB3 PHE 99 HB2 PHE 99 -1.653 -7.165 -2.821 746 HD1 PHE 99 HD1 PHE 99 -3.483 -5.990 0.176 747 HD2 PHE 99 HD2 PHE 99 -2.590 -9.267 -2.392 748 HE1 PHE 99 HE1 PHE 99 -5.234 -7.325 1.272 749 HE2 PHE 99 HE2 PHE 99 -4.342 -10.605 -1.299 750 HZ PHE 99 HZ PHE 99 -5.668 -9.634 0.534 751 H ALA 100 HN ALA 100 0.704 -4.741 -2.132 752 HA ALA 100 HA ALA 100 2.046 -6.116 -4.204 753 HB1 ALA 100 HB1 ALA 100 1.531 -3.708 -4.269 754 HB2 ALA 100 HB2 ALA 100 3.233 -4.041 -4.585 755 HB3 ALA 100 HB3 ALA 100 2.734 -3.435 -3.007 756 H LEU 101 HN LEU 101 3.054 -5.064 -0.985 757 HA LEU 101 HA LEU 101 5.771 -5.642 -1.143 758 HB2 LEU 101 HB2 LEU 101 3.958 -5.927 1.254 759 HB3 LEU 101 HB1 LEU 101 5.706 -5.828 1.310 760 HG LEU 101 HG LEU 101 3.851 -3.636 0.370 761 HD11 LEU 101 HD21 LEU 101 5.485 -3.909 2.890 762 HD12 LEU 101 HD22 LEU 101 3.728 -3.998 2.774 763 HD13 LEU 101 HD23 LEU 101 4.560 -2.486 2.411 764 HD21 LEU 101 HD11 LEU 101 5.870 -2.247 0.345 765 HD22 LEU 101 HD12 LEU 101 5.974 -3.575 -0.810 766 HD23 LEU 101 HD13 LEU 101 6.846 -3.667 0.720 767 H GLY 102 HN GLY 102 3.054 -7.759 -0.341 768 HA2 GLY 102 HA2 GLY 102 4.584 -10.004 0.423 769 HA3 GLY 102 HA1 GLY 102 2.907 -10.034 -0.092 770 H GLN 103 HN GLN 103 3.573 -8.867 -2.740 771 HA GLN 103 HA GLN 103 4.139 -11.363 -4.046 772 HB2 GLN 103 HB2 GLN 103 2.483 -9.627 -4.854 773 HB3 GLN 103 HB1 GLN 103 3.864 -8.660 -5.355 774 HG2 GLN 103 HG1 GLN 103 4.582 -10.708 -6.700 775 HG3 GLN 103 HG2 GLN 103 2.950 -11.308 -6.416 776 HE21 GLN 103 HE21 GLN 103 1.190 -10.190 -7.317 777 HE22 GLN 103 HE22 GLN 103 1.396 -9.116 -8.655 778 H LEU 104 HN LEU 104 5.757 -8.197 -3.901 779 HA LEU 104 HA LEU 104 7.921 -8.840 -5.560 780 HB2 LEU 104 HB1 LEU 104 7.678 -6.859 -3.305 781 HB3 LEU 104 HB2 LEU 104 9.099 -6.977 -4.324 782 HG LEU 104 HG LEU 104 6.314 -6.323 -5.292 783 HD11 LEU 104 HD11 LEU 104 8.723 -4.552 -4.914 784 HD12 LEU 104 HD12 LEU 104 7.253 -4.529 -3.940 785 HD13 LEU 104 HD13 LEU 104 7.190 -4.072 -5.642 786 HD21 LEU 104 HD21 LEU 104 7.398 -5.800 -7.408 787 HD22 LEU 104 HD22 LEU 104 7.665 -7.487 -6.966 788 HD23 LEU 104 HD23 LEU 104 8.954 -6.304 -6.747 789 H ALA 105 HN ALA 105 7.488 -9.235 -2.074 790 HA ALA 105 HA ALA 105 10.122 -9.974 -1.448 791 HB1 ALA 105 HB1 ALA 105 7.567 -10.817 -0.085 792 HB2 ALA 105 HB2 ALA 105 8.466 -9.335 0.236 793 HB3 ALA 105 HB3 ALA 105 9.189 -10.901 0.603 794 H ALA 106 HN ALA 106 7.397 -11.828 -2.663 795 HA ALA 106 HA ALA 106 8.860 -14.336 -2.415 796 HB1 ALA 106 HB1 ALA 106 6.096 -13.811 -3.493 797 HB2 ALA 106 HB2 ALA 106 6.481 -14.271 -1.835 798 HB3 ALA 106 HB3 ALA 106 6.803 -15.391 -3.159 799 H GLU 107 HN GLU 107 8.600 -11.868 -4.683 800 HA GLU 107 HA GLU 107 8.833 -13.593 -7.006 801 HB2 GLU 107 HB2 GLU 107 8.478 -10.669 -6.545 802 HB3 GLU 107 HB1 GLU 107 9.180 -11.195 -8.065 803 HG2 GLU 107 HG2 GLU 107 6.528 -12.107 -6.976 804 HG3 GLU 107 HG1 GLU 107 6.753 -10.855 -8.198 805 H ILE 108 HN ILE 108 10.808 -11.282 -5.187 806 HA ILE 108 HA ILE 108 13.071 -11.429 -6.887 807 HB ILE 108 HB ILE 108 14.318 -10.436 -4.990 808 HG12 ILE 108 HG11 ILE 108 11.669 -10.647 -3.538 809 HG13 ILE 108 HG12 ILE 108 13.102 -11.603 -3.176 810 HG21 ILE 108 HG21 ILE 108 11.652 -9.158 -5.586 811 HG22 ILE 108 HG22 ILE 108 13.116 -9.019 -6.560 812 HG23 ILE 108 HG23 ILE 108 13.067 -8.330 -4.937 813 HD11 ILE 108 HD11 ILE 108 12.847 -9.779 -1.603 814 HD12 ILE 108 HD12 ILE 108 12.865 -8.614 -2.929 815 HD13 ILE 108 HD13 ILE 108 14.306 -9.568 -2.574 816 H ALA 109 HN ALA 109 11.742 -13.747 -4.912 817 HA ALA 109 HA ALA 109 12.444 -15.756 -4.111 818 HB1 ALA 109 HB1 ALA 109 14.263 -16.863 -5.290 819 HB2 ALA 109 HB2 ALA 109 14.748 -15.327 -6.009 820 HB3 ALA 109 HB3 ALA 109 13.191 -16.043 -6.424 821 H ASP 110 HN ASP 110 14.977 -16.796 -3.599 822 HA ASP 110 HA ASP 110 16.585 -16.858 -1.997 823 HB2 ASP 110 HB1 ASP 110 16.566 -13.864 -2.427 824 HB3 ASP 110 HB2 ASP 110 17.776 -14.727 -1.481 825 H THR 111 HN THR 111 17.215 -15.577 0.219 826 HA THR 111 HA THR 111 14.685 -15.146 1.665 827 HB THR 111 HB THR 111 15.624 -16.310 3.615 828 HG1 THR 111 HG1 THR 111 17.880 -16.250 2.068 829 HG21 THR 111 HG21 THR 111 15.697 -18.006 1.117 830 HG22 THR 111 HG22 THR 111 14.241 -17.554 2.002 831 HG23 THR 111 HG23 THR 111 15.452 -18.585 2.764 832 H ASP 112 HN ASP 112 17.626 -13.876 0.786 833 HA ASP 112 HA ASP 112 18.211 -12.443 3.212 834 HB2 ASP 112 HB2 ASP 112 19.861 -11.223 1.730 835 HB3 ASP 112 HB1 ASP 112 20.088 -12.964 1.847 836 H ALA 113 HN ALA 113 17.401 -11.267 -0.068 837 HA ALA 113 HA ALA 113 16.502 -8.748 0.990 838 HB1 ALA 113 HB1 ALA 113 16.274 -9.806 -1.825 839 HB2 ALA 113 HB2 ALA 113 17.668 -8.938 -1.181 840 HB3 ALA 113 HB3 ALA 113 16.107 -8.128 -1.307 841 H ALA 114 HN ALA 114 15.087 -11.783 0.447 842 HA ALA 114 HA ALA 114 12.415 -10.869 -0.094 843 HB1 ALA 114 HB1 ALA 114 13.386 -13.586 0.782 844 HB2 ALA 114 HB2 ALA 114 13.207 -13.048 -0.888 845 HB3 ALA 114 HB3 ALA 114 11.785 -13.208 0.144 846 H ASP 115 HN ASP 115 14.303 -10.827 2.617 847 HA ASP 115 HA ASP 115 11.966 -10.955 4.401 848 HB2 ASP 115 HB2 ASP 115 13.527 -12.754 4.914 849 HB3 ASP 115 HB1 ASP 115 14.855 -11.604 5.025 850 H ALA 116 HN ALA 116 14.351 -8.991 3.046 851 HA ALA 116 HA ALA 116 14.632 -7.152 5.236 852 HB1 ALA 116 HB1 ALA 116 16.431 -7.456 3.610 853 HB2 ALA 116 HB2 ALA 116 15.879 -5.781 3.648 854 HB3 ALA 116 HB3 ALA 116 15.383 -6.843 2.331 855 H LEU 117 HN LEU 117 12.996 -7.057 2.062 856 HA LEU 117 HA LEU 117 11.783 -4.535 2.537 857 HB2 LEU 117 HB2 LEU 117 10.677 -4.806 0.495 858 HB3 LEU 117 HB1 LEU 117 12.192 -5.654 0.282 859 HG LEU 117 HG LEU 117 10.615 -7.028 -0.744 860 HD11 LEU 117 HD11 LEU 117 10.729 -8.199 2.018 861 HD12 LEU 117 HD12 LEU 117 12.092 -8.201 0.901 862 HD13 LEU 117 HD13 LEU 117 10.606 -9.053 0.482 863 HD21 LEU 117 HD21 LEU 117 8.818 -6.603 1.634 864 HD22 LEU 117 HD22 LEU 117 8.477 -7.682 0.281 865 HD23 LEU 117 HD23 LEU 117 8.601 -5.943 0.012 866 H ILE 118 HN ILE 118 11.134 -7.664 3.644 867 HA ILE 118 HA ILE 118 8.334 -7.584 3.942 868 HB ILE 118 HB ILE 118 10.506 -9.107 5.363 869 HG12 ILE 118 HG12 ILE 118 9.937 -9.777 3.073 870 HG13 ILE 118 HG11 ILE 118 9.481 -11.024 4.228 871 HG21 ILE 118 HG21 ILE 118 8.776 -10.392 6.532 872 HG22 ILE 118 HG22 ILE 118 7.544 -9.295 5.909 873 HG23 ILE 118 HG23 ILE 118 8.773 -8.699 7.024 874 HD11 ILE 118 HD11 ILE 118 7.159 -10.272 4.114 875 HD12 ILE 118 HD12 ILE 118 7.778 -10.752 2.534 876 HD13 ILE 118 HD13 ILE 118 7.623 -9.042 2.937 877 H ASP 119 HN ASP 119 10.973 -6.287 5.811 878 HA ASP 119 HA ASP 119 9.774 -5.763 8.241 879 HB2 ASP 119 HB2 ASP 119 12.033 -4.691 6.715 880 HB3 ASP 119 HB1 ASP 119 11.318 -3.523 7.820 881 H ARG 120 HN ARG 120 9.677 -3.859 5.260 882 HA ARG 120 HA ARG 120 8.320 -1.627 6.216 883 HB2 ARG 120 HB2 ARG 120 8.355 -2.930 3.499 884 HB3 ARG 120 HB1 ARG 120 7.491 -1.432 3.809 885 HG2 ARG 120 HG2 ARG 120 9.597 -0.870 2.872 886 HG3 ARG 120 HG1 ARG 120 9.644 -0.435 4.582 887 HD2 ARG 120 HD2 ARG 120 10.885 -2.453 5.093 888 HD3 ARG 120 HD1 ARG 120 10.773 -2.975 3.413 889 HE ARG 120 HE ARG 120 11.995 -0.586 3.202 890 HH11 ARG 120 HH11 ARG 120 12.611 -3.374 5.200 891 HH12 ARG 120 HH12 ARG 120 14.321 -3.109 5.267 892 HH21 ARG 120 HH21 ARG 120 14.245 -0.228 3.286 893 HH22 ARG 120 HH22 ARG 120 15.250 -1.321 4.180 894 H TYR 121 HN TYR 121 7.090 -4.748 5.135 895 HA TYR 121 HA TYR 121 4.350 -4.007 5.183 896 HB2 TYR 121 HB2 TYR 121 5.164 -5.951 3.909 897 HB3 TYR 121 HB1 TYR 121 5.588 -6.758 5.416 898 HD1 TYR 121 HD1 TYR 121 3.738 -7.374 7.025 899 HD2 TYR 121 HD2 TYR 121 2.966 -6.059 3.053 900 HE1 TYR 121 HE1 TYR 121 1.474 -8.321 7.158 901 HE2 TYR 121 HE2 TYR 121 0.699 -7.004 3.176 902 HH TYR 121 HH TYR 121 -0.714 -8.020 6.089 903 H HIS 122 HN HIS 122 6.371 -5.849 7.451 904 HA HIS 122 HA HIS 122 4.504 -6.384 9.410 905 HB2 HIS 122 HB2 HIS 122 7.461 -5.836 9.610 906 HB3 HIS 122 HB1 HIS 122 6.499 -6.324 11.000 907 HD1 HIS 122 HD1 HIS 122 8.570 -8.254 10.538 908 HD2 HIS 122 HD2 HIS 122 5.080 -8.379 8.285 909 HE1 HIS 122 HE1 HIS 122 8.427 -10.602 9.650 910 HE2 HIS 122 HE2 HIS 122 6.285 -10.667 8.324 911 H PHE 123 HN PHE 123 6.133 -3.370 8.727 912 HA PHE 123 HA PHE 123 5.224 -2.184 11.216 913 HB2 PHE 123 HB1 PHE 123 6.754 -1.001 8.893 914 HB3 PHE 123 HB2 PHE 123 6.381 -0.152 10.389 915 HD1 PHE 123 HD1 PHE 123 6.873 -2.379 12.335 916 HD2 PHE 123 HD2 PHE 123 9.088 -1.053 8.949 917 HE1 PHE 123 HE1 PHE 123 8.939 -3.249 13.349 918 HE2 PHE 123 HE2 PHE 123 11.157 -1.924 9.958 919 HZ PHE 123 HZ PHE 123 11.083 -3.023 12.160 920 H LEU 124 HN LEU 124 4.729 -1.630 7.725 921 HA LEU 124 HA LEU 124 2.877 0.392 7.823 922 HB2 LEU 124 HB1 LEU 124 3.940 -0.882 5.817 923 HB3 LEU 124 HB2 LEU 124 2.518 -1.899 5.921 924 HG LEU 124 HG LEU 124 2.399 1.095 5.562 925 HD11 LEU 124 HD11 LEU 124 1.930 0.640 3.205 926 HD12 LEU 124 HD12 LEU 124 2.240 -1.075 3.476 927 HD13 LEU 124 HD13 LEU 124 3.545 0.097 3.662 928 HD21 LEU 124 HD21 LEU 124 0.391 0.064 6.516 929 HD22 LEU 124 HD22 LEU 124 0.322 -1.051 5.151 930 HD23 LEU 124 HD23 LEU 124 0.104 0.678 4.887 931 H ARG 125 HN ARG 125 2.118 -3.093 7.707 932 HA ARG 125 HA ARG 125 -0.586 -3.027 8.028 933 HB2 ARG 125 HB2 ARG 125 0.460 -5.144 7.741 934 HB3 ARG 125 HB1 ARG 125 1.423 -4.947 9.199 935 HG2 ARG 125 HG1 ARG 125 -0.393 -5.362 10.599 936 HG3 ARG 125 HG2 ARG 125 -1.567 -5.053 9.320 937 HD2 ARG 125 HD1 ARG 125 -0.922 -7.086 8.184 938 HD3 ARG 125 HD2 ARG 125 0.355 -7.374 9.366 939 HE ARG 125 HE ARG 125 -1.215 -8.376 10.661 940 HH11 ARG 125 HH11 ARG 125 -2.827 -6.021 8.659 941 HH12 ARG 125 HH12 ARG 125 -4.405 -6.400 9.264 942 HH21 ARG 125 HH21 ARG 125 -3.290 -8.876 11.462 943 HH22 ARG 125 HH22 ARG 125 -4.669 -8.021 10.855 944 H GLY 126 HN GLY 126 1.864 -2.678 10.552 945 HA2 GLY 126 HA1 GLY 126 0.136 -2.644 12.769 946 HA3 GLY 126 HA2 GLY 126 1.731 -1.908 12.710 947 H PHE 127 HN PHE 127 1.079 -0.092 10.529 948 HA PHE 127 HA PHE 127 0.040 2.060 12.067 949 HB2 PHE 127 HB1 PHE 127 1.688 2.534 10.393 950 HB3 PHE 127 HB2 PHE 127 0.717 1.775 9.136 951 HD1 PHE 127 HD1 PHE 127 0.858 4.674 11.433 952 HD2 PHE 127 HD2 PHE 127 -0.847 3.004 7.911 953 HE1 PHE 127 HE1 PHE 127 -0.134 6.858 10.883 954 HE2 PHE 127 HE2 PHE 127 -1.841 5.185 7.354 955 HZ PHE 127 HZ PHE 127 -1.485 7.115 8.840 956 H ALA 128 HN ALA 128 -1.299 -0.090 9.637 957 HA ALA 128 HA ALA 128 -3.669 1.318 9.096 958 HB1 ALA 128 HB1 ALA 128 -3.183 -1.655 8.984 959 HB2 ALA 128 HB2 ALA 128 -2.845 -0.506 7.690 960 HB3 ALA 128 HB3 ALA 128 -4.508 -0.789 8.206 961 H ALA 129 HN ALA 129 -2.668 -0.423 11.863 962 HA ALA 129 HA ALA 129 -5.287 -1.150 12.792 963 HB1 ALA 129 HB1 ALA 129 -2.691 -0.999 14.322 964 HB2 ALA 129 HB2 ALA 129 -3.275 -2.409 13.438 965 HB3 ALA 129 HB3 ALA 129 -4.168 -1.814 14.838 966 H GLY 130 HN GLY 130 -3.212 1.624 13.038 967 HA2 GLY 130 HA2 GLY 130 -4.628 2.780 15.279 968 HA3 GLY 130 HA1 GLY 130 -3.364 3.550 14.332 969 H HIS 131 HN HIS 131 -5.401 2.402 12.090 970 HA HIS 131 HA HIS 131 -6.581 4.993 11.631 971 HB2 HIS 131 HB2 HIS 131 -6.223 2.488 10.097 972 HB3 HIS 131 HB1 HIS 131 -7.649 3.441 9.689 973 HD1 HIS 131 HD1 HIS 131 -7.006 6.112 9.235 974 HD2 HIS 131 HD2 HIS 131 -4.026 3.260 8.735 975 HE1 HIS 131 HE1 HIS 131 -5.258 7.212 7.801 976 HE2 HIS 131 HE2 HIS 131 -3.518 5.430 7.423 977 HA PRO 132 HA PRO 132 -10.558 4.269 13.400 978 HB2 PRO 132 HB1 PRO 132 -12.161 5.658 11.692 979 HB3 PRO 132 HB2 PRO 132 -11.112 6.436 12.882 980 HG2 PRO 132 HG2 PRO 132 -10.656 5.989 9.956 981 HG3 PRO 132 HG1 PRO 132 -10.331 7.435 10.930 982 HD2 PRO 132 HD1 PRO 132 -8.382 5.703 10.235 983 HD3 PRO 132 HD2 PRO 132 -8.365 6.571 11.784 984 H GLU 133 HN GLU 133 -9.855 3.369 10.152 985 HA GLU 133 HA GLU 133 -12.227 1.625 10.067 986 HB2 GLU 133 HB2 GLU 133 -10.553 2.848 7.890 987 HB3 GLU 133 HB1 GLU 133 -11.574 1.450 7.579 988 HG2 GLU 133 HG2 GLU 133 -12.850 3.305 6.958 989 HG3 GLU 133 HG1 GLU 133 -13.481 2.803 8.524 990 H ALA 134 HN ALA 134 -9.434 1.353 11.287 991 HA ALA 134 HA ALA 134 -7.802 -0.459 10.126 992 HB1 ALA 134 HB1 ALA 134 -8.714 -0.535 13.000 993 HB2 ALA 134 HB2 ALA 134 -7.407 0.453 12.350 994 HB3 ALA 134 HB3 ALA 134 -7.262 -1.304 12.359 995 H ALA 135 HN ALA 135 -10.832 -1.228 11.815 996 HA ALA 135 HA ALA 135 -10.749 -3.979 11.661 997 HB1 ALA 135 HB1 ALA 135 -12.430 -2.731 12.925 998 HB2 ALA 135 HB2 ALA 135 -13.173 -3.931 11.867 999 HB3 ALA 135 HB3 ALA 135 -13.189 -2.227 11.415 1000 H ALA 136 HN ALA 136 -11.974 -1.686 9.236 1001 HA ALA 136 HA ALA 136 -12.813 -3.694 7.411 1002 HB1 ALA 136 HB1 ALA 136 -12.150 -0.807 6.854 1003 HB2 ALA 136 HB2 ALA 136 -13.715 -1.409 7.400 1004 HB3 ALA 136 HB3 ALA 136 -13.088 -1.885 5.821 1005 H ILE 137 HN ILE 137 -9.824 -1.889 7.828 1006 HA ILE 137 HA ILE 137 -8.613 -2.625 5.393 1007 HB ILE 137 HB ILE 137 -7.368 -1.778 8.003 1008 HG12 ILE 137 HG12 ILE 137 -7.847 -0.195 5.472 1009 HG13 ILE 137 HG11 ILE 137 -8.932 -0.173 6.859 1010 HG21 ILE 137 HG21 ILE 137 -5.730 -2.971 6.694 1011 HG22 ILE 137 HG22 ILE 137 -5.376 -1.244 6.644 1012 HG23 ILE 137 HG23 ILE 137 -6.141 -2.027 5.261 1013 HD11 ILE 137 HD11 ILE 137 -6.056 0.703 6.855 1014 HD12 ILE 137 HD12 ILE 137 -7.137 0.716 8.248 1015 HD13 ILE 137 HD13 ILE 137 -7.471 1.755 6.863 1016 H TYR 138 HN TYR 138 -8.190 -4.011 8.676 1017 HA TYR 138 HA TYR 138 -6.303 -5.940 7.823 1018 HB2 TYR 138 HB1 TYR 138 -6.188 -6.597 10.001 1019 HB3 TYR 138 HB2 TYR 138 -6.948 -5.028 10.234 1020 HD1 TYR 138 HD1 TYR 138 -9.343 -4.877 10.770 1021 HD2 TYR 138 HD2 TYR 138 -7.364 -8.629 10.480 1022 HE1 TYR 138 HE1 TYR 138 -11.209 -5.948 11.963 1023 HE2 TYR 138 HE2 TYR 138 -9.224 -9.711 11.669 1024 HH TYR 138 HH TYR 138 -11.025 -9.091 13.224 1025 H ARG 139 HN ARG 139 -9.818 -6.000 8.101 1026 HA ARG 139 HA ARG 139 -10.001 -8.821 7.646 1027 HB2 ARG 139 HB2 ARG 139 -12.385 -8.484 7.446 1028 HB3 ARG 139 HB1 ARG 139 -11.782 -7.550 8.806 1029 HG2 ARG 139 HG2 ARG 139 -11.805 -5.531 7.385 1030 HG3 ARG 139 HG1 ARG 139 -12.516 -6.494 6.086 1031 HD2 ARG 139 HD1 ARG 139 -14.439 -6.998 7.488 1032 HD3 ARG 139 HD2 ARG 139 -13.723 -6.095 8.822 1033 HE ARG 139 HE ARG 139 -13.971 -4.456 6.528 1034 HH11 ARG 139 HH11 ARG 139 -15.844 -5.905 9.085 1035 HH12 ARG 139 HH12 ARG 139 -17.073 -4.685 9.049 1036 HH21 ARG 139 HH21 ARG 139 -15.585 -2.848 6.475 1037 HH22 ARG 139 HH22 ARG 139 -16.926 -2.948 7.566 1038 H ALA 140 HN ALA 140 -9.998 -5.951 5.660 1039 HA ALA 140 HA ALA 140 -10.867 -7.104 3.240 1040 HB1 ALA 140 HB1 ALA 140 -8.963 -4.790 3.584 1041 HB2 ALA 140 HB2 ALA 140 -10.723 -4.673 3.632 1042 HB3 ALA 140 HB3 ALA 140 -9.915 -5.171 2.147 1043 H ILE 141 HN ILE 141 -7.773 -7.067 4.863 1044 HA ILE 141 HA ILE 141 -6.474 -8.325 2.564 1045 HB ILE 141 HB ILE 141 -4.385 -8.060 3.773 1046 HG12 ILE 141 HG12 ILE 141 -6.028 -6.834 5.999 1047 HG13 ILE 141 HG11 ILE 141 -5.334 -8.452 6.048 1048 HG21 ILE 141 HG21 ILE 141 -4.317 -5.600 3.902 1049 HG22 ILE 141 HG22 ILE 141 -6.078 -5.567 3.818 1050 HG23 ILE 141 HG23 ILE 141 -5.142 -6.180 2.455 1051 HD11 ILE 141 HD11 ILE 141 -3.095 -7.491 5.886 1052 HD12 ILE 141 HD12 ILE 141 -3.973 -6.883 7.290 1053 HD13 ILE 141 HD13 ILE 141 -3.797 -5.874 5.854 1054 H ASP 142 HN ASP 142 -8.007 -9.148 5.473 1055 HA ASP 142 HA ASP 142 -6.565 -11.430 6.258 1056 HB2 ASP 142 HB2 ASP 142 -8.217 -10.387 7.718 1057 HB3 ASP 142 HB1 ASP 142 -9.506 -10.796 6.589 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -1.228 -1.502 22.320 2 H2 MET 1 HT2 MET 1 0.178 -1.097 23.168 3 H3 MET 1 HT3 MET 1 -1.164 -0.068 23.218 4 HA MET 1 HA MET 1 -1.050 -2.816 24.314 5 HB2 MET 1 HB2 MET 1 -0.995 -0.105 25.648 6 HB3 MET 1 HB1 MET 1 -1.306 -1.605 26.512 7 HG2 MET 1 HG2 MET 1 1.201 -0.953 24.979 8 HG3 MET 1 HG1 MET 1 1.013 -0.881 26.730 9 HE1 MET 1 HE1 MET 1 3.359 -2.560 25.329 10 HE2 MET 1 HE2 MET 1 3.309 -4.005 26.337 11 HE3 MET 1 HE3 MET 1 3.107 -2.413 27.068 12 H ASN 2 HN ASN 2 -2.904 0.188 23.959 13 HA ASN 2 HA ASN 2 -5.345 -1.302 24.639 14 HB2 ASN 2 HB1 ASN 2 -4.843 1.681 24.557 15 HB3 ASN 2 HB2 ASN 2 -6.385 0.929 24.952 16 HD21 ASN 2 HD22 ASN 2 -6.452 1.802 27.001 17 HD22 ASN 2 HD21 ASN 2 -5.412 1.270 28.275 18 H THR 3 HN THR 3 -3.608 -0.309 22.010 19 HA THR 3 HA THR 3 -4.035 -0.162 19.782 20 HB THR 3 HB THR 3 -6.800 -1.238 20.341 21 HG1 THR 3 HG1 THR 3 -5.171 -3.208 19.693 22 HG21 THR 3 HG21 THR 3 -6.547 -2.249 18.129 23 HG22 THR 3 HG22 THR 3 -4.933 -1.555 17.985 24 HG23 THR 3 HG23 THR 3 -6.344 -0.500 18.042 25 H GLU 4 HN GLU 4 -5.321 1.775 21.965 26 HA GLU 4 HA GLU 4 -7.159 3.202 20.195 27 HB2 GLU 4 HB2 GLU 4 -6.449 3.661 23.098 28 HB3 GLU 4 HB1 GLU 4 -7.628 4.597 22.191 29 HG2 GLU 4 HG1 GLU 4 -8.995 2.614 21.883 30 HG3 GLU 4 HG2 GLU 4 -7.802 1.646 22.747 31 H GLU 5 HN GLU 5 -3.926 3.112 20.763 32 HA GLU 5 HA GLU 5 -3.536 5.737 19.593 33 HB2 GLU 5 HB2 GLU 5 -3.517 6.179 22.020 34 HB3 GLU 5 HB1 GLU 5 -2.239 4.989 22.222 35 HG2 GLU 5 HG2 GLU 5 -1.317 7.213 22.254 36 HG3 GLU 5 HG1 GLU 5 -0.761 6.349 20.821 37 H GLN 6 HN GLN 6 -2.396 5.166 17.849 38 HA GLN 6 HA GLN 6 -0.480 2.993 17.974 39 HB2 GLN 6 HB1 GLN 6 -0.241 3.370 15.545 40 HB3 GLN 6 HB2 GLN 6 -1.913 3.122 16.027 41 HG2 GLN 6 HG1 GLN 6 -2.287 5.542 15.946 42 HG3 GLN 6 HG2 GLN 6 -0.617 5.771 15.427 43 HE21 GLN 6 HE22 GLN 6 -0.643 3.363 13.774 44 HE22 GLN 6 HE21 GLN 6 -1.559 3.761 12.366 45 HA PRO 7 HA PRO 7 2.885 5.785 18.806 46 HB2 PRO 7 HB2 PRO 7 4.631 3.510 18.266 47 HB3 PRO 7 HB1 PRO 7 4.377 4.377 19.784 48 HG2 PRO 7 HG1 PRO 7 3.496 1.855 19.401 49 HG3 PRO 7 HG2 PRO 7 2.621 3.020 20.411 50 HD2 PRO 7 HD1 PRO 7 2.069 2.172 17.588 51 HD3 PRO 7 HD2 PRO 7 0.932 2.434 18.928 52 H VAL 8 HN VAL 8 2.092 4.427 15.947 53 HA VAL 8 HA VAL 8 4.276 5.815 14.542 54 HB VAL 8 HB VAL 8 2.949 3.258 13.626 55 HG11 VAL 8 HG21 VAL 8 5.238 4.830 12.446 56 HG12 VAL 8 HG22 VAL 8 3.612 4.694 11.774 57 HG13 VAL 8 HG23 VAL 8 4.652 3.272 11.863 58 HG21 VAL 8 HG11 VAL 8 5.730 3.719 14.699 59 HG22 VAL 8 HG12 VAL 8 5.117 2.201 14.042 60 HG23 VAL 8 HG13 VAL 8 4.427 2.863 15.524 61 H THR 9 HN THR 9 3.725 7.067 12.816 62 HA THR 9 HA THR 9 1.003 6.989 11.776 63 HB THR 9 HB THR 9 0.779 9.470 11.997 64 HG1 THR 9 HG1 THR 9 3.055 9.121 13.675 65 HG21 THR 9 HG21 THR 9 -0.387 7.972 13.540 66 HG22 THR 9 HG22 THR 9 0.125 9.448 14.360 67 HG23 THR 9 HG23 THR 9 1.026 7.951 14.597 68 H ALA 10 HN ALA 10 0.826 7.720 9.679 69 HA ALA 10 HA ALA 10 3.334 8.056 8.263 70 HB1 ALA 10 HB1 ALA 10 0.521 7.855 7.199 71 HB2 ALA 10 HB2 ALA 10 1.650 6.514 7.386 72 HB3 ALA 10 HB3 ALA 10 2.001 7.808 6.241 73 H SER 11 HN SER 11 3.277 9.672 6.378 74 HA SER 11 HA SER 11 1.812 12.114 6.890 75 HB2 SER 11 HB1 SER 11 3.693 12.365 8.441 76 HB3 SER 11 HB2 SER 11 4.830 12.059 7.129 77 HG SER 11 HG SER 11 4.742 14.212 7.175 78 H LEU 12 HN LEU 12 2.424 13.829 5.239 79 HA LEU 12 HA LEU 12 2.745 12.499 2.664 80 HB2 LEU 12 HB2 LEU 12 0.911 14.227 3.285 81 HB3 LEU 12 HB1 LEU 12 2.169 15.421 3.034 82 HG LEU 12 HG LEU 12 2.455 14.606 0.716 83 HD11 LEU 12 HD11 LEU 12 0.750 13.093 -0.220 84 HD12 LEU 12 HD12 LEU 12 0.115 12.835 1.405 85 HD13 LEU 12 HD13 LEU 12 1.751 12.313 1.005 86 HD21 LEU 12 HD21 LEU 12 0.356 15.503 -0.163 87 HD22 LEU 12 HD22 LEU 12 0.978 16.488 1.161 88 HD23 LEU 12 HD23 LEU 12 -0.366 15.382 1.442 89 H VAL 13 HN VAL 13 4.518 12.634 1.444 90 HA VAL 13 HA VAL 13 6.789 14.148 2.456 91 HB VAL 13 HB VAL 13 6.735 12.329 0.048 92 HG11 VAL 13 HG21 VAL 13 8.668 13.806 0.195 93 HG12 VAL 13 HG22 VAL 13 9.137 12.131 0.483 94 HG13 VAL 13 HG23 VAL 13 8.982 13.249 1.838 95 HG21 VAL 13 HG11 VAL 13 7.316 11.624 2.923 96 HG22 VAL 13 HG12 VAL 13 7.553 10.558 1.537 97 HG23 VAL 13 HG13 VAL 13 5.929 11.086 1.975 98 H ALA 14 HN ALA 14 8.049 15.553 1.143 99 HA ALA 14 HA ALA 14 6.594 17.447 -0.311 100 HB1 ALA 14 HB1 ALA 14 9.567 16.937 -0.387 101 HB2 ALA 14 HB2 ALA 14 8.724 17.943 0.790 102 HB3 ALA 14 HB3 ALA 14 8.752 18.411 -0.909 103 H GLU 15 HN GLU 15 6.408 17.892 -2.503 104 HA GLU 15 HA GLU 15 6.210 15.673 -4.223 105 HB2 GLU 15 HB2 GLU 15 5.896 17.446 -6.017 106 HB3 GLU 15 HB1 GLU 15 4.766 17.477 -4.673 107 HG2 GLU 15 HG2 GLU 15 5.352 19.713 -5.124 108 HG3 GLU 15 HG1 GLU 15 6.186 19.261 -3.639 109 H ALA 16 HN ALA 16 8.823 17.868 -3.575 110 HA ALA 16 HA ALA 16 10.289 17.144 -5.958 111 HB1 ALA 16 HB1 ALA 16 12.040 18.584 -5.091 112 HB2 ALA 16 HB2 ALA 16 11.201 18.708 -3.546 113 HB3 ALA 16 HB3 ALA 16 10.477 19.395 -5.000 114 H GLN 17 HN GLN 17 9.766 15.697 -2.970 115 HA GLN 17 HA GLN 17 12.326 14.247 -3.108 116 HB2 GLN 17 HB2 GLN 17 10.446 14.610 -0.768 117 HB3 GLN 17 HB1 GLN 17 11.925 13.658 -0.737 118 HG2 GLN 17 HG2 GLN 17 11.756 16.620 -1.247 119 HG3 GLN 17 HG1 GLN 17 12.226 15.859 0.274 120 HE21 GLN 17 HE21 GLN 17 13.136 16.418 -3.052 121 HE22 GLN 17 HE22 GLN 17 14.819 16.079 -2.852 122 H ARG 18 HN ARG 18 8.993 13.992 -3.591 123 HA ARG 18 HA ARG 18 8.554 11.282 -2.908 124 HB2 ARG 18 HB2 ARG 18 7.177 13.187 -4.789 125 HB3 ARG 18 HB1 ARG 18 6.646 11.521 -4.609 126 HG2 ARG 18 HG2 ARG 18 5.989 11.845 -2.394 127 HG3 ARG 18 HG1 ARG 18 6.921 13.337 -2.243 128 HD2 ARG 18 HD2 ARG 18 5.284 14.587 -3.117 129 HD3 ARG 18 HD1 ARG 18 4.929 13.406 -4.375 130 HE ARG 18 HE ARG 18 3.981 12.409 -1.941 131 HH11 ARG 18 HH11 ARG 18 3.344 15.011 -4.166 132 HH12 ARG 18 HH12 ARG 18 1.655 15.090 -3.795 133 HH21 ARG 18 HH21 ARG 18 1.756 12.499 -1.448 134 HH22 ARG 18 HH22 ARG 18 0.752 13.662 -2.248 135 H LEU 19 HN LEU 19 9.842 12.872 -5.732 136 HA LEU 19 HA LEU 19 9.667 10.709 -7.531 137 HB2 LEU 19 HB2 LEU 19 11.529 11.963 -8.732 138 HB3 LEU 19 HB1 LEU 19 10.008 12.802 -8.499 139 HG LEU 19 HG LEU 19 11.114 13.856 -6.431 140 HD11 LEU 19 HD11 LEU 19 13.025 12.383 -6.262 141 HD12 LEU 19 HD12 LEU 19 13.559 14.037 -6.563 142 HD13 LEU 19 HD13 LEU 19 13.563 12.857 -7.873 143 HD21 LEU 19 HD21 LEU 19 12.151 15.602 -7.794 144 HD22 LEU 19 HD22 LEU 19 10.596 15.092 -8.452 145 HD23 LEU 19 HD23 LEU 19 12.095 14.534 -9.197 146 H ASP 20 HN ASP 20 11.834 11.378 -4.923 147 HA ASP 20 HA ASP 20 13.561 9.155 -5.802 148 HB2 ASP 20 HB2 ASP 20 14.565 11.508 -5.504 149 HB3 ASP 20 HB1 ASP 20 14.363 11.227 -3.776 150 H PHE 21 HN PHE 21 11.203 10.018 -3.602 151 HA PHE 21 HA PHE 21 12.108 8.765 -1.247 152 HB2 PHE 21 HB2 PHE 21 10.124 10.353 -1.517 153 HB3 PHE 21 HB1 PHE 21 9.217 8.952 -2.079 154 HD1 PHE 21 HD1 PHE 21 11.036 10.379 0.791 155 HD2 PHE 21 HD2 PHE 21 8.381 7.345 -0.567 156 HE1 PHE 21 HE1 PHE 21 10.551 9.765 3.124 157 HE2 PHE 21 HE2 PHE 21 7.891 6.726 1.763 158 HZ PHE 21 HZ PHE 21 8.976 7.936 3.611 159 H LEU 22 HN LEU 22 10.469 7.556 -4.112 160 HA LEU 22 HA LEU 22 9.802 5.012 -3.083 161 HB2 LEU 22 HB2 LEU 22 9.736 6.346 -5.655 162 HB3 LEU 22 HB1 LEU 22 10.234 4.673 -5.819 163 HG LEU 22 HG LEU 22 7.825 4.894 -6.105 164 HD11 LEU 22 HD11 LEU 22 8.654 2.829 -5.147 165 HD12 LEU 22 HD12 LEU 22 7.102 3.250 -4.423 166 HD13 LEU 22 HD13 LEU 22 8.597 3.529 -3.529 167 HD21 LEU 22 HD21 LEU 22 7.832 5.984 -3.294 168 HD22 LEU 22 HD22 LEU 22 6.400 5.596 -4.249 169 HD23 LEU 22 HD23 LEU 22 7.477 6.895 -4.762 170 HA PRO 23 HA PRO 23 13.930 3.456 -5.079 171 HB2 PRO 23 HB2 PRO 23 15.820 5.357 -5.600 172 HB3 PRO 23 HB1 PRO 23 14.673 4.768 -6.809 173 HG2 PRO 23 HG2 PRO 23 14.575 7.264 -5.158 174 HG3 PRO 23 HG1 PRO 23 14.184 7.036 -6.873 175 HD2 PRO 23 HD2 PRO 23 12.278 7.201 -4.969 176 HD3 PRO 23 HD1 PRO 23 12.089 6.185 -6.411 177 H THR 24 HN THR 24 13.436 5.816 -2.729 178 HA THR 24 HA THR 24 15.943 5.388 -1.332 179 HB THR 24 HB THR 24 13.567 7.160 -0.852 180 HG1 THR 24 HG1 THR 24 15.118 8.756 -1.155 181 HG21 THR 24 HG21 THR 24 15.902 6.785 1.024 182 HG22 THR 24 HG22 THR 24 14.247 6.257 1.331 183 HG23 THR 24 HG23 THR 24 14.611 7.977 1.185 184 H TYR 25 HN TYR 25 12.476 4.718 -0.768 185 HA TYR 25 HA TYR 25 13.204 3.166 1.605 186 HB2 TYR 25 HB2 TYR 25 10.707 4.462 0.646 187 HB3 TYR 25 HB1 TYR 25 10.545 3.025 1.652 188 HD1 TYR 25 HD2 TYR 25 12.270 6.332 1.577 189 HD2 TYR 25 HD1 TYR 25 10.580 3.242 3.963 190 HE1 TYR 25 HE2 TYR 25 12.614 7.705 3.588 191 HE2 TYR 25 HE1 TYR 25 10.919 4.606 5.980 192 HH TYR 25 HH TYR 25 12.338 6.458 6.736 193 H PHE 26 HN PHE 26 11.716 2.769 -1.567 194 HA PHE 26 HA PHE 26 11.219 -0.053 -1.059 195 HB2 PHE 26 HB2 PHE 26 10.177 1.941 -2.866 196 HB3 PHE 26 HB1 PHE 26 10.746 0.545 -3.776 197 HD1 PHE 26 HD1 PHE 26 9.069 0.837 -0.455 198 HD2 PHE 26 HD2 PHE 26 8.929 -0.689 -4.425 199 HE1 PHE 26 HE1 PHE 26 6.986 -0.359 0.081 200 HE2 PHE 26 HE2 PHE 26 6.846 -1.887 -3.896 201 HZ PHE 26 HZ PHE 26 5.873 -1.722 -1.640 202 H GLY 27 HN GLY 27 13.162 2.024 -3.161 203 HA2 GLY 27 HA2 GLY 27 15.544 1.047 -3.275 204 HA3 GLY 27 HA1 GLY 27 14.723 -0.338 -3.981 205 HA PRO 28 HA PRO 28 15.735 3.331 -7.031 206 HB2 PRO 28 HB1 PRO 28 17.960 2.134 -8.180 207 HB3 PRO 28 HB2 PRO 28 18.011 3.441 -6.994 208 HG2 PRO 28 HG1 PRO 28 18.341 0.499 -6.593 209 HG3 PRO 28 HG2 PRO 28 19.207 1.842 -5.823 210 HD2 PRO 28 HD2 PRO 28 17.269 0.507 -4.537 211 HD3 PRO 28 HD1 PRO 28 17.482 2.259 -4.327 212 H ARG 29 HN ARG 29 15.704 -0.147 -7.049 213 HA ARG 29 HA ARG 29 14.946 -0.208 -9.861 214 HB2 ARG 29 HB2 ARG 29 16.529 -1.889 -9.254 215 HB3 ARG 29 HB1 ARG 29 15.566 -2.386 -7.869 216 HG2 ARG 29 HG2 ARG 29 15.383 -4.000 -9.667 217 HG3 ARG 29 HG1 ARG 29 13.828 -3.218 -9.377 218 HD2 ARG 29 HD2 ARG 29 14.403 -1.638 -11.256 219 HD3 ARG 29 HD1 ARG 29 15.767 -2.694 -11.618 220 HE ARG 29 HE ARG 29 13.258 -4.082 -11.501 221 HH11 ARG 29 HH11 ARG 29 15.384 -2.203 -13.526 222 HH12 ARG 29 HH12 ARG 29 14.765 -2.859 -15.005 223 HH21 ARG 29 HH21 ARG 29 12.437 -4.949 -13.445 224 HH22 ARG 29 HH22 ARG 29 13.090 -4.418 -14.959 225 H LEU 30 HN LEU 30 13.597 -1.188 -6.680 226 HA LEU 30 HA LEU 30 11.173 -2.149 -7.676 227 HB2 LEU 30 HB2 LEU 30 11.833 -1.005 -4.968 228 HB3 LEU 30 HB1 LEU 30 10.406 -1.945 -5.345 229 HG LEU 30 HG LEU 30 13.259 -2.930 -5.405 230 HD11 LEU 30 HD11 LEU 30 12.251 -2.572 -3.161 231 HD12 LEU 30 HD12 LEU 30 12.648 -4.255 -3.503 232 HD13 LEU 30 HD13 LEU 30 10.975 -3.707 -3.601 233 HD21 LEU 30 HD21 LEU 30 10.695 -4.406 -5.981 234 HD22 LEU 30 HD22 LEU 30 12.299 -5.129 -5.860 235 HD23 LEU 30 HD23 LEU 30 11.941 -3.990 -7.158 236 H MET 31 HN MET 31 12.229 1.098 -6.937 237 HA MET 31 HA MET 31 10.098 2.551 -6.356 238 HB2 MET 31 HB2 MET 31 10.900 4.272 -8.067 239 HB3 MET 31 HB1 MET 31 12.064 3.726 -6.866 240 HG2 MET 31 HG2 MET 31 13.442 3.204 -8.506 241 HG3 MET 31 HG1 MET 31 12.308 1.965 -9.024 242 HE1 MET 31 HE1 MET 31 12.271 6.281 -10.666 243 HE2 MET 31 HE2 MET 31 13.416 5.715 -9.452 244 HE3 MET 31 HE3 MET 31 11.705 5.856 -9.050 245 H MET 32 HN MET 32 10.495 0.997 -9.496 246 HA MET 32 HA MET 32 7.829 1.966 -10.260 247 HB2 MET 32 HB1 MET 32 8.419 1.395 -12.546 248 HB3 MET 32 HB2 MET 32 9.656 2.434 -11.852 249 HG2 MET 32 HG1 MET 32 11.061 0.471 -11.443 250 HG3 MET 32 HG2 MET 32 9.826 -0.552 -12.174 251 HE1 MET 32 HE1 MET 32 12.228 2.651 -14.467 252 HE2 MET 32 HE2 MET 32 12.479 2.265 -12.765 253 HE3 MET 32 HE3 MET 32 10.985 3.049 -13.280 254 H ARG 33 HN ARG 33 9.806 -0.915 -9.876 255 HA ARG 33 HA ARG 33 7.899 -2.790 -10.772 256 HB2 ARG 33 HB1 ARG 33 10.100 -3.237 -8.753 257 HB3 ARG 33 HB2 ARG 33 9.306 -4.460 -9.734 258 HG2 ARG 33 HG1 ARG 33 10.967 -2.207 -10.842 259 HG3 ARG 33 HG2 ARG 33 11.565 -3.838 -10.532 260 HD2 ARG 33 HD1 ARG 33 11.035 -3.785 -12.824 261 HD3 ARG 33 HD2 ARG 33 9.716 -4.661 -12.050 262 HE ARG 33 HE ARG 33 9.131 -1.887 -12.287 263 HH11 ARG 33 HH11 ARG 33 9.241 -4.876 -14.079 264 HH12 ARG 33 HH12 ARG 33 8.051 -4.376 -15.233 265 HH21 ARG 33 HH21 ARG 33 7.564 -1.223 -13.803 266 HH22 ARG 33 HH22 ARG 33 7.099 -2.300 -15.077 267 H GLY 34 HN GLY 34 8.033 -0.896 -7.943 268 HA2 GLY 34 HA2 GLY 34 6.275 -2.763 -6.498 269 HA3 GLY 34 HA1 GLY 34 7.198 -1.463 -5.759 270 H GLU 35 HN GLU 35 6.558 0.647 -7.465 271 HA GLU 35 HA GLU 35 4.148 1.549 -6.393 272 HB2 GLU 35 HB1 GLU 35 4.275 3.385 -7.964 273 HB3 GLU 35 HB2 GLU 35 5.891 3.028 -7.371 274 HG2 GLU 35 HG2 GLU 35 6.457 1.906 -9.408 275 HG3 GLU 35 HG1 GLU 35 4.800 2.042 -9.994 276 H ALA 36 HN ALA 36 4.864 -0.200 -9.343 277 HA ALA 36 HA ALA 36 2.259 0.051 -10.480 278 HB1 ALA 36 HB1 ALA 36 4.396 -2.007 -11.032 279 HB2 ALA 36 HB2 ALA 36 4.240 -0.444 -11.834 280 HB3 ALA 36 HB3 ALA 36 2.989 -1.670 -12.041 281 H LEU 37 HN LEU 37 3.761 -2.181 -8.250 282 HA LEU 37 HA LEU 37 1.793 -4.220 -8.413 283 HB2 LEU 37 HB2 LEU 37 4.076 -3.576 -6.659 284 HB3 LEU 37 HB1 LEU 37 2.822 -4.571 -5.945 285 HG LEU 37 HG LEU 37 4.270 -5.220 -8.510 286 HD11 LEU 37 HD11 LEU 37 5.405 -6.945 -7.189 287 HD12 LEU 37 HD12 LEU 37 4.635 -6.322 -5.729 288 HD13 LEU 37 HD13 LEU 37 5.786 -5.321 -6.615 289 HD21 LEU 37 HD21 LEU 37 2.002 -6.133 -8.373 290 HD22 LEU 37 HD22 LEU 37 2.401 -6.873 -6.822 291 HD23 LEU 37 HD23 LEU 37 3.227 -7.399 -8.290 292 H VAL 38 HN VAL 38 2.181 -1.418 -6.272 293 HA VAL 38 HA VAL 38 0.099 -2.108 -4.493 294 HB VAL 38 HB VAL 38 0.265 0.047 -3.580 295 HG11 VAL 38 HG21 VAL 38 2.670 0.457 -3.404 296 HG12 VAL 38 HG22 VAL 38 2.948 -0.581 -4.802 297 HG13 VAL 38 HG23 VAL 38 2.299 -1.265 -3.313 298 HG21 VAL 38 HG11 VAL 38 -0.156 1.329 -5.611 299 HG22 VAL 38 HG12 VAL 38 1.481 0.989 -6.173 300 HG23 VAL 38 HG13 VAL 38 1.230 1.970 -4.729 301 H TYR 39 HN TYR 39 0.145 -0.223 -7.478 302 HA TYR 39 HA TYR 39 -2.633 0.479 -7.290 303 HB2 TYR 39 HB1 TYR 39 -2.085 1.976 -8.862 304 HB3 TYR 39 HB2 TYR 39 -0.434 1.379 -8.757 305 HD1 TYR 39 HD2 TYR 39 -3.532 1.320 -10.709 306 HD2 TYR 39 HD1 TYR 39 0.471 -0.094 -10.452 307 HE1 TYR 39 HE2 TYR 39 -3.641 0.607 -13.060 308 HE2 TYR 39 HE1 TYR 39 0.376 -0.810 -12.804 309 HH TYR 39 HH TYR 39 -1.329 -1.427 -14.474 310 H ALA 40 HN ALA 40 -0.762 -2.099 -8.674 311 HA ALA 40 HA ALA 40 -2.578 -3.100 -10.548 312 HB1 ALA 40 HB1 ALA 40 -0.257 -3.863 -10.385 313 HB2 ALA 40 HB2 ALA 40 -1.386 -5.217 -10.336 314 HB3 ALA 40 HB3 ALA 40 -0.623 -4.649 -8.850 315 H TRP 41 HN TRP 41 -2.176 -3.877 -7.103 316 HA TRP 41 HA TRP 41 -4.351 -5.711 -7.034 317 HB2 TRP 41 HB2 TRP 41 -2.858 -4.249 -4.857 318 HB3 TRP 41 HB1 TRP 41 -4.150 -5.396 -4.526 319 HD1 TRP 41 HD1 TRP 41 -0.509 -5.226 -5.631 320 HE1 TRP 41 HE1 TRP 41 0.484 -7.597 -5.597 321 HE3 TRP 41 HE3 TRP 41 -4.798 -7.890 -4.817 322 HZ2 TRP 41 HZ2 TRP 41 -0.430 -10.250 -5.271 323 HZ3 TRP 41 HZ3 TRP 41 -4.650 -10.341 -4.657 324 HH2 TRP 41 HH2 TRP 41 -2.510 -11.495 -4.880 325 H MET 42 HN MET 42 -4.037 -2.261 -6.500 326 HA MET 42 HA MET 42 -6.464 -1.751 -5.223 327 HB2 MET 42 HB2 MET 42 -4.605 -0.125 -5.513 328 HB3 MET 42 HB1 MET 42 -5.039 0.024 -7.210 329 HG2 MET 42 HG2 MET 42 -6.093 1.844 -6.336 330 HG3 MET 42 HG1 MET 42 -7.384 0.648 -6.255 331 HE1 MET 42 HE1 MET 42 -7.819 -0.095 -2.544 332 HE2 MET 42 HE2 MET 42 -7.122 -1.092 -3.821 333 HE3 MET 42 HE3 MET 42 -8.548 -0.107 -4.150 334 H ARG 43 HN ARG 43 -5.721 -2.141 -8.642 335 HA ARG 43 HA ARG 43 -8.415 -1.457 -9.449 336 HB2 ARG 43 HB2 ARG 43 -7.622 -2.002 -11.733 337 HB3 ARG 43 HB1 ARG 43 -6.621 -0.805 -10.922 338 HG2 ARG 43 HG1 ARG 43 -4.968 -2.517 -10.412 339 HG3 ARG 43 HG2 ARG 43 -5.976 -3.732 -11.200 340 HD2 ARG 43 HD1 ARG 43 -4.850 -1.288 -12.555 341 HD3 ARG 43 HD2 ARG 43 -4.133 -2.897 -12.632 342 HE ARG 43 HE ARG 43 -6.819 -3.041 -13.449 343 HH11 ARG 43 HH11 ARG 43 -3.746 -1.794 -14.518 344 HH12 ARG 43 HH12 ARG 43 -4.133 -1.924 -16.202 345 HH21 ARG 43 HH21 ARG 43 -7.337 -3.215 -15.665 346 HH22 ARG 43 HH22 ARG 43 -6.174 -2.732 -16.853 347 H ARG 44 HN ARG 44 -6.839 -4.240 -8.342 348 HA ARG 44 HA ARG 44 -8.455 -6.120 -9.837 349 HB2 ARG 44 HB2 ARG 44 -6.465 -6.457 -7.597 350 HB3 ARG 44 HB1 ARG 44 -7.381 -7.799 -8.264 351 HG2 ARG 44 HG1 ARG 44 -6.426 -7.212 -10.507 352 HG3 ARG 44 HG2 ARG 44 -5.369 -6.071 -9.675 353 HD2 ARG 44 HD2 ARG 44 -4.202 -8.157 -10.040 354 HD3 ARG 44 HD1 ARG 44 -4.479 -7.916 -8.315 355 HE ARG 44 HE ARG 44 -6.603 -9.415 -9.132 356 HH11 ARG 44 HH11 ARG 44 -3.142 -9.751 -9.332 357 HH12 ARG 44 HH12 ARG 44 -3.178 -11.482 -9.293 358 HH21 ARG 44 HH21 ARG 44 -6.663 -11.694 -9.083 359 HH22 ARG 44 HH22 ARG 44 -5.180 -12.588 -9.152 360 H LEU 45 HN LEU 45 -8.911 -4.189 -7.159 361 HA LEU 45 HA LEU 45 -10.749 -6.018 -5.818 362 HB2 LEU 45 HB2 LEU 45 -10.209 -3.166 -5.061 363 HB3 LEU 45 HB1 LEU 45 -10.875 -4.438 -4.070 364 HG LEU 45 HG LEU 45 -8.027 -4.367 -5.063 365 HD11 LEU 45 HD21 LEU 45 -7.444 -3.823 -2.749 366 HD12 LEU 45 HD22 LEU 45 -9.158 -3.715 -2.345 367 HD13 LEU 45 HD23 LEU 45 -8.444 -2.568 -3.480 368 HD21 LEU 45 HD11 LEU 45 -7.672 -6.174 -3.462 369 HD22 LEU 45 HD12 LEU 45 -8.863 -6.625 -4.681 370 HD23 LEU 45 HD13 LEU 45 -9.390 -6.165 -3.063 371 H CYS 46 HN CYS 46 -10.760 -3.497 -8.117 372 HA CYS 46 HA CYS 46 -13.663 -3.588 -8.242 373 HB2 CYS 46 HB2 CYS 46 -13.028 -1.616 -6.799 374 HB3 CYS 46 HB1 CYS 46 -12.207 -0.940 -8.204 375 HG CYS 46 HG CYS 46 -14.298 -0.059 -9.472 376 H GLU 47 HN GLU 47 -14.168 -4.001 -10.293 377 HA GLU 47 HA GLU 47 -12.296 -3.920 -12.396 378 HB2 GLU 47 HB2 GLU 47 -14.132 -4.513 -13.852 379 HB3 GLU 47 HB1 GLU 47 -14.284 -5.410 -12.347 380 HG2 GLU 47 HG2 GLU 47 -16.368 -4.694 -12.211 381 HG3 GLU 47 HG1 GLU 47 -15.739 -3.068 -11.948 382 H ARG 48 HN ARG 48 -14.504 -1.610 -11.108 383 HA ARG 48 HA ARG 48 -14.210 0.196 -13.375 384 HB2 ARG 48 HB2 ARG 48 -15.719 0.519 -10.774 385 HB3 ARG 48 HB1 ARG 48 -15.752 1.659 -12.112 386 HG2 ARG 48 HG2 ARG 48 -16.692 -0.146 -13.543 387 HG3 ARG 48 HG1 ARG 48 -16.793 -1.163 -12.104 388 HD2 ARG 48 HD1 ARG 48 -18.932 -0.080 -12.593 389 HD3 ARG 48 HD2 ARG 48 -18.273 0.452 -11.046 390 HE ARG 48 HE ARG 48 -17.407 2.281 -12.923 391 HH11 ARG 48 HH11 ARG 48 -20.466 1.144 -11.698 392 HH12 ARG 48 HH12 ARG 48 -21.280 2.646 -11.978 393 HH21 ARG 48 HH21 ARG 48 -18.471 4.259 -13.294 394 HH22 ARG 48 HH22 ARG 48 -20.146 4.417 -12.885 395 H TYR 49 HN TYR 49 -11.794 -0.388 -12.113 396 HA TYR 49 HA TYR 49 -11.195 2.126 -10.707 397 HB2 TYR 49 HB2 TYR 49 -10.849 -0.388 -9.695 398 HB3 TYR 49 HB1 TYR 49 -9.267 -0.079 -10.407 399 HD1 TYR 49 HD2 TYR 49 -8.209 2.249 -9.804 400 HD2 TYR 49 HD1 TYR 49 -11.269 0.340 -7.556 401 HE1 TYR 49 HE2 TYR 49 -7.599 3.601 -7.841 402 HE2 TYR 49 HE1 TYR 49 -10.669 1.679 -5.586 403 HH TYR 49 HH TYR 49 -8.766 2.921 -4.709 404 H ASN 50 HN ASN 50 -10.522 3.383 -12.374 405 HA ASN 50 HA ASN 50 -8.723 2.369 -14.391 406 HB2 ASN 50 HB2 ASN 50 -9.880 5.109 -13.868 407 HB3 ASN 50 HB1 ASN 50 -8.765 4.770 -15.189 408 HD21 ASN 50 HD21 ASN 50 -11.962 4.273 -13.935 409 HD22 ASN 50 HD22 ASN 50 -12.655 3.648 -15.388 410 H GLY 51 HN GLY 51 -8.441 3.809 -11.317 411 HA2 GLY 51 HA1 GLY 51 -6.338 3.810 -10.178 412 HA3 GLY 51 HA2 GLY 51 -5.538 4.076 -11.715 413 H ALA 52 HN ALA 52 -5.627 5.495 -9.032 414 HA ALA 52 HA ALA 52 -6.147 8.195 -10.096 415 HB1 ALA 52 HB1 ALA 52 -6.754 8.892 -7.842 416 HB2 ALA 52 HB2 ALA 52 -6.462 7.255 -7.248 417 HB3 ALA 52 HB3 ALA 52 -7.778 7.561 -8.382 418 H TYR 53 HN TYR 53 -5.063 9.527 -7.810 419 HA TYR 53 HA TYR 53 -2.228 9.182 -8.394 420 HB2 TYR 53 HB2 TYR 53 -3.889 11.389 -7.247 421 HB3 TYR 53 HB1 TYR 53 -2.166 11.344 -6.898 422 HD1 TYR 53 HD1 TYR 53 -0.669 10.913 -9.084 423 HD2 TYR 53 HD2 TYR 53 -4.557 12.640 -9.063 424 HE1 TYR 53 HE1 TYR 53 -0.196 11.990 -11.245 425 HE2 TYR 53 HE2 TYR 53 -4.095 13.722 -11.224 426 HH TYR 53 HH TYR 53 -1.490 12.880 -13.183 427 H TRP 54 HN TRP 54 -1.459 7.541 -7.204 428 HA TRP 54 HA TRP 54 -2.202 7.154 -4.451 429 HB2 TRP 54 HB2 TRP 54 0.112 5.737 -5.709 430 HB3 TRP 54 HB1 TRP 54 -1.118 5.118 -4.606 431 HD1 TRP 54 HD1 TRP 54 -3.657 4.827 -5.769 432 HE1 TRP 54 HE1 TRP 54 -4.250 4.042 -8.146 433 HE3 TRP 54 HE3 TRP 54 0.858 5.620 -8.030 434 HZ2 TRP 54 HZ2 TRP 54 -2.966 3.783 -10.650 435 HZ3 TRP 54 HZ3 TRP 54 1.093 5.077 -10.419 436 HH2 TRP 54 HH2 TRP 54 -0.781 4.176 -11.700 437 H HIS 55 HN HIS 55 -1.525 9.214 -3.664 438 HA HIS 55 HA HIS 55 0.958 10.350 -3.729 439 HB2 HIS 55 HB2 HIS 55 -0.889 10.264 -1.335 440 HB3 HIS 55 HB1 HIS 55 0.395 11.438 -1.610 441 HD1 HIS 55 HD1 HIS 55 -0.023 13.241 -3.448 442 HD2 HIS 55 HD2 HIS 55 -3.258 10.745 -2.696 443 HE1 HIS 55 HE1 HIS 55 -2.001 14.365 -4.519 444 HE2 HIS 55 HE2 HIS 55 -3.969 12.908 -3.923 445 H TYR 56 HN TYR 56 2.784 10.286 -2.458 446 HA TYR 56 HA TYR 56 3.327 7.685 -1.263 447 HB2 TYR 56 HB1 TYR 56 5.228 9.982 -1.793 448 HB3 TYR 56 HB2 TYR 56 5.674 8.344 -1.332 449 HD1 TYR 56 HD2 TYR 56 3.549 7.022 -3.193 450 HD2 TYR 56 HD1 TYR 56 6.537 9.987 -3.816 451 HE1 TYR 56 HE2 TYR 56 3.670 6.392 -5.567 452 HE2 TYR 56 HE1 TYR 56 6.664 9.367 -6.192 453 HH TYR 56 HH TYR 56 6.162 7.476 -7.632 454 H TYR 57 HN TYR 57 3.628 7.352 0.862 455 HA TYR 57 HA TYR 57 3.489 9.716 2.615 456 HB2 TYR 57 HB2 TYR 57 2.165 7.032 2.851 457 HB3 TYR 57 HB1 TYR 57 2.451 8.024 4.279 458 HD1 TYR 57 HD1 TYR 57 0.563 7.743 1.142 459 HD2 TYR 57 HD2 TYR 57 1.232 10.072 4.638 460 HE1 TYR 57 HE1 TYR 57 -1.490 9.014 0.681 461 HE2 TYR 57 HE2 TYR 57 -0.815 11.349 4.189 462 HH TYR 57 HH TYR 57 -2.272 11.904 2.322 463 H ALA 58 HN ALA 58 4.809 9.841 4.365 464 HA ALA 58 HA ALA 58 6.966 7.846 4.491 465 HB1 ALA 58 HB1 ALA 58 8.324 9.604 5.513 466 HB2 ALA 58 HB2 ALA 58 6.958 10.715 5.427 467 HB3 ALA 58 HB3 ALA 58 7.697 10.109 3.944 468 H LEU 59 HN LEU 59 6.071 6.365 5.898 469 HA LEU 59 HA LEU 59 4.749 7.039 8.304 470 HB2 LEU 59 HB2 LEU 59 5.867 4.576 7.092 471 HB3 LEU 59 HB1 LEU 59 5.574 4.552 8.820 472 HG LEU 59 HG LEU 59 3.418 5.413 6.916 473 HD11 LEU 59 HD11 LEU 59 4.200 3.258 6.100 474 HD12 LEU 59 HD12 LEU 59 2.614 3.108 6.856 475 HD13 LEU 59 HD13 LEU 59 4.057 2.579 7.721 476 HD21 LEU 59 HD21 LEU 59 3.383 4.121 9.641 477 HD22 LEU 59 HD22 LEU 59 1.969 4.614 8.710 478 HD23 LEU 59 HD23 LEU 59 3.102 5.829 9.300 479 H SER 60 HN SER 60 5.447 6.986 10.430 480 HA SER 60 HA SER 60 8.043 8.041 10.879 481 HB2 SER 60 HB1 SER 60 6.137 8.685 12.271 482 HB3 SER 60 HB2 SER 60 5.993 7.029 12.862 483 HG SER 60 HG SER 60 7.797 7.265 14.029 484 H ASP 61 HN ASP 61 6.831 4.838 10.751 485 HA ASP 61 HA ASP 61 8.980 3.753 12.382 486 HB2 ASP 61 HB2 ASP 61 6.587 2.836 12.315 487 HB3 ASP 61 HB1 ASP 61 7.016 2.154 10.748 488 H GLY 62 HN GLY 62 8.108 4.121 9.013 489 HA2 GLY 62 HA1 GLY 62 9.933 4.279 7.410 490 HA3 GLY 62 HA2 GLY 62 10.741 2.995 8.294 491 H GLY 63 HN GLY 63 7.321 3.013 7.469 492 HA2 GLY 63 HA1 GLY 63 7.746 0.537 5.959 493 HA3 GLY 63 HA2 GLY 63 6.209 1.118 6.581 494 H PHE 64 HN PHE 64 6.236 3.719 5.584 495 HA PHE 64 HA PHE 64 5.677 4.939 3.756 496 HB2 PHE 64 HB1 PHE 64 7.782 4.888 2.822 497 HB3 PHE 64 HB2 PHE 64 7.795 3.134 2.679 498 HD1 PHE 64 HD1 PHE 64 6.078 6.129 1.275 499 HD2 PHE 64 HD2 PHE 64 7.502 2.176 0.609 500 HE1 PHE 64 HE1 PHE 64 5.478 6.319 -1.103 501 HE2 PHE 64 HE2 PHE 64 6.906 2.358 -1.770 502 HZ PHE 64 HZ PHE 64 5.892 4.431 -2.630 503 H TYR 65 HN TYR 65 3.653 4.841 3.094 504 HA TYR 65 HA TYR 65 2.821 2.513 1.503 505 HB2 TYR 65 HB2 TYR 65 0.887 2.167 2.689 506 HB3 TYR 65 HB1 TYR 65 1.936 2.725 3.984 507 HD1 TYR 65 HD2 TYR 65 1.698 5.039 4.859 508 HD2 TYR 65 HD1 TYR 65 -1.012 3.422 2.003 509 HE1 TYR 65 HE2 TYR 65 0.087 6.820 5.388 510 HE2 TYR 65 HE1 TYR 65 -2.628 5.202 2.525 511 HH TYR 65 HH TYR 65 -1.812 7.951 4.367 512 H MET 66 HN MET 66 1.358 2.895 -0.152 513 HA MET 66 HA MET 66 1.139 5.716 -0.972 514 HB2 MET 66 HB1 MET 66 0.956 3.177 -2.608 515 HB3 MET 66 HB2 MET 66 0.788 4.806 -3.250 516 HG2 MET 66 HG1 MET 66 3.040 5.313 -2.864 517 HG3 MET 66 HG2 MET 66 3.255 3.931 -1.790 518 HE1 MET 66 HE1 MET 66 1.374 4.099 -5.157 519 HE2 MET 66 HE2 MET 66 2.508 3.398 -6.310 520 HE3 MET 66 HE3 MET 66 2.807 5.005 -5.645 521 H ALA 67 HN ALA 67 -0.792 6.666 -1.214 522 HA ALA 67 HA ALA 67 -3.191 4.957 -1.107 523 HB1 ALA 67 HB1 ALA 67 -2.804 6.014 1.077 524 HB2 ALA 67 HB2 ALA 67 -4.299 6.567 0.323 525 HB3 ALA 67 HB3 ALA 67 -2.868 7.599 0.308 526 HA PRO 68 HA PRO 68 -4.154 7.082 -4.915 527 HB2 PRO 68 HB2 PRO 68 -6.896 6.128 -4.324 528 HB3 PRO 68 HB1 PRO 68 -5.898 5.864 -5.757 529 HG2 PRO 68 HG1 PRO 68 -6.338 3.905 -3.988 530 HG3 PRO 68 HG2 PRO 68 -4.776 4.078 -4.810 531 HD2 PRO 68 HD2 PRO 68 -5.543 4.811 -2.015 532 HD3 PRO 68 HD1 PRO 68 -4.025 4.123 -2.627 533 H ASP 69 HN ASP 69 -5.416 8.888 -5.594 534 HA ASP 69 HA ASP 69 -6.375 10.503 -3.347 535 HB2 ASP 69 HB2 ASP 69 -4.592 11.450 -4.780 536 HB3 ASP 69 HB1 ASP 69 -5.679 11.358 -6.162 537 H LEU 70 HN LEU 70 -8.429 9.464 -3.187 538 HA LEU 70 HA LEU 70 -10.359 10.554 -5.094 539 HB2 LEU 70 HB1 LEU 70 -10.336 7.656 -4.247 540 HB3 LEU 70 HB2 LEU 70 -11.588 8.428 -5.196 541 HG LEU 70 HG LEU 70 -8.720 8.178 -6.101 542 HD11 LEU 70 HD11 LEU 70 -9.477 6.351 -7.518 543 HD12 LEU 70 HD12 LEU 70 -11.093 6.462 -6.822 544 HD13 LEU 70 HD13 LEU 70 -9.733 5.966 -5.816 545 HD21 LEU 70 HD21 LEU 70 -9.648 8.708 -8.296 546 HD22 LEU 70 HD22 LEU 70 -9.967 10.001 -7.139 547 HD23 LEU 70 HD23 LEU 70 -11.252 8.877 -7.582 548 H ALA 71 HN ALA 71 -11.710 11.723 -3.939 549 HA ALA 71 HA ALA 71 -12.211 11.030 -1.139 550 HB1 ALA 71 HB1 ALA 71 -11.491 13.316 -1.632 551 HB2 ALA 71 HB2 ALA 71 -13.103 13.283 -0.918 552 HB3 ALA 71 HB3 ALA 71 -12.912 13.543 -2.652 553 H GLY 72 HN GLY 72 -13.931 9.827 -0.693 554 HA2 GLY 72 HA1 GLY 72 -16.511 10.285 -0.863 555 HA3 GLY 72 HA2 GLY 72 -16.210 9.835 -2.535 556 H ARG 73 HN ARG 73 -17.850 8.175 -1.945 557 HA ARG 73 HA ARG 73 -16.807 5.961 -0.357 558 HB2 ARG 73 HB2 ARG 73 -19.515 6.222 -1.680 559 HB3 ARG 73 HB1 ARG 73 -19.037 5.018 -0.494 560 HG2 ARG 73 HG2 ARG 73 -19.309 7.979 -0.015 561 HG3 ARG 73 HG1 ARG 73 -20.417 6.719 0.528 562 HD2 ARG 73 HD2 ARG 73 -17.537 7.033 1.365 563 HD3 ARG 73 HD1 ARG 73 -18.951 7.440 2.337 564 HE ARG 73 HE ARG 73 -19.086 4.739 1.541 565 HH11 ARG 73 HH11 ARG 73 -17.343 6.856 3.690 566 HH12 ARG 73 HH12 ARG 73 -16.984 5.610 4.838 567 HH21 ARG 73 HH21 ARG 73 -18.620 3.089 3.049 568 HH22 ARG 73 HH22 ARG 73 -17.710 3.467 4.473 569 H LEU 74 HN LEU 74 -15.463 4.714 -1.448 570 HA LEU 74 HA LEU 74 -15.970 4.164 -4.284 571 HB2 LEU 74 HB2 LEU 74 -13.504 3.627 -2.628 572 HB3 LEU 74 HB1 LEU 74 -13.657 3.362 -4.354 573 HG LEU 74 HG LEU 74 -13.910 6.069 -3.044 574 HD11 LEU 74 HD21 LEU 74 -11.665 5.191 -2.702 575 HD12 LEU 74 HD22 LEU 74 -11.655 6.505 -3.879 576 HD13 LEU 74 HD23 LEU 74 -11.532 4.832 -4.424 577 HD21 LEU 74 HD11 LEU 74 -15.043 5.872 -5.191 578 HD22 LEU 74 HD12 LEU 74 -13.567 5.247 -5.925 579 HD23 LEU 74 HD13 LEU 74 -13.620 6.904 -5.322 580 H GLU 75 HN GLU 75 -17.200 2.427 -4.607 581 HA GLU 75 HA GLU 75 -17.411 0.278 -2.759 582 HB2 GLU 75 HB2 GLU 75 -18.674 -0.839 -4.649 583 HB3 GLU 75 HB1 GLU 75 -19.310 0.709 -4.114 584 HG2 GLU 75 HG1 GLU 75 -18.228 1.808 -6.011 585 HG3 GLU 75 HG2 GLU 75 -17.609 0.249 -6.554 586 H ILE 76 HN ILE 76 -15.486 -0.701 -2.373 587 HA ILE 76 HA ILE 76 -14.080 -1.881 -4.674 588 HB ILE 76 HB ILE 76 -13.134 -0.737 -2.103 589 HG12 ILE 76 HG12 ILE 76 -12.954 0.202 -4.533 590 HG13 ILE 76 HG11 ILE 76 -11.581 0.356 -3.442 591 HG21 ILE 76 HG21 ILE 76 -11.817 -3.096 -3.424 592 HG22 ILE 76 HG22 ILE 76 -12.364 -2.958 -1.754 593 HG23 ILE 76 HG23 ILE 76 -10.984 -2.012 -2.311 594 HD11 ILE 76 HD11 ILE 76 -11.029 -0.341 -5.771 595 HD12 ILE 76 HD12 ILE 76 -11.864 -1.860 -5.448 596 HD13 ILE 76 HD13 ILE 76 -10.435 -1.421 -4.511 597 H GLU 77 HN GLU 77 -14.669 -3.934 -4.952 598 HA GLU 77 HA GLU 77 -15.393 -5.592 -2.695 599 HB2 GLU 77 HB2 GLU 77 -15.754 -7.358 -4.451 600 HB3 GLU 77 HB1 GLU 77 -16.732 -5.911 -4.642 601 HG2 GLU 77 HG2 GLU 77 -15.236 -5.106 -6.378 602 HG3 GLU 77 HG1 GLU 77 -14.214 -6.528 -6.169 603 H VAL 78 HN VAL 78 -13.786 -6.279 -1.478 604 HA VAL 78 HA VAL 78 -11.139 -6.699 -2.419 605 HB VAL 78 HB VAL 78 -12.356 -7.582 0.194 606 HG11 VAL 78 HG11 VAL 78 -10.191 -8.553 -0.262 607 HG12 VAL 78 HG12 VAL 78 -10.077 -7.360 1.031 608 HG13 VAL 78 HG13 VAL 78 -9.527 -6.954 -0.594 609 HG21 VAL 78 HG21 VAL 78 -12.796 -5.211 -0.171 610 HG22 VAL 78 HG22 VAL 78 -11.088 -4.939 -0.514 611 HG23 VAL 78 HG23 VAL 78 -11.595 -5.438 1.100 612 H ASN 79 HN ASN 79 -11.091 -8.329 -3.988 613 HA ASN 79 HA ASN 79 -12.424 -10.799 -3.740 614 HB2 ASN 79 HB1 ASN 79 -11.076 -11.527 -5.601 615 HB3 ASN 79 HB2 ASN 79 -11.518 -9.843 -5.868 616 HD21 ASN 79 HD21 ASN 79 -9.945 -8.243 -5.691 617 HD22 ASN 79 HD22 ASN 79 -8.258 -8.613 -5.735 618 H GLY 80 HN GLY 80 -9.278 -9.674 -2.701 619 HA2 GLY 80 HA1 GLY 80 -7.823 -11.860 -2.143 620 HA3 GLY 80 HA2 GLY 80 -7.921 -10.511 -1.024 621 H ASN 81 HN ASN 81 -10.799 -11.020 -0.498 622 HA ASN 81 HA ASN 81 -10.865 -13.650 0.685 623 HB2 ASN 81 HB1 ASN 81 -11.191 -12.889 2.969 624 HB3 ASN 81 HB2 ASN 81 -9.631 -12.340 2.367 625 HD21 ASN 81 HD21 ASN 81 -9.343 -10.148 1.890 626 HD22 ASN 81 HD22 ASN 81 -10.396 -8.939 2.529 627 H GLY 82 HN GLY 82 -12.376 -11.601 -1.123 628 HA2 GLY 82 HA2 GLY 82 -14.566 -11.398 -1.761 629 HA3 GLY 82 HA1 GLY 82 -14.955 -12.645 -0.590 630 H PHE 83 HN PHE 83 -13.349 -9.850 0.653 631 HA PHE 83 HA PHE 83 -15.731 -9.180 2.141 632 HB2 PHE 83 HB2 PHE 83 -13.620 -9.168 3.324 633 HB3 PHE 83 HB1 PHE 83 -12.946 -8.004 2.189 634 HD1 PHE 83 HD2 PHE 83 -15.977 -8.294 4.354 635 HD2 PHE 83 HD1 PHE 83 -12.774 -5.862 2.962 636 HE1 PHE 83 HE2 PHE 83 -16.759 -6.451 5.785 637 HE2 PHE 83 HE1 PHE 83 -13.550 -4.015 4.390 638 HZ PHE 83 HZ PHE 83 -15.545 -4.309 5.804 639 H ARG 84 HN ARG 84 -17.176 -8.295 0.705 640 HA ARG 84 HA ARG 84 -16.396 -6.105 -0.999 641 HB2 ARG 84 HB2 ARG 84 -18.972 -7.537 -0.447 642 HB3 ARG 84 HB1 ARG 84 -18.989 -5.992 -1.290 643 HG2 ARG 84 HG2 ARG 84 -17.467 -6.918 -2.978 644 HG3 ARG 84 HG1 ARG 84 -17.526 -8.477 -2.152 645 HD2 ARG 84 HD2 ARG 84 -19.967 -8.540 -2.501 646 HD3 ARG 84 HD1 ARG 84 -19.859 -7.021 -3.390 647 HE ARG 84 HE ARG 84 -18.106 -8.778 -4.613 648 HH11 ARG 84 HH11 ARG 84 -21.529 -8.572 -4.001 649 HH12 ARG 84 HH12 ARG 84 -21.967 -9.462 -5.421 650 HH21 ARG 84 HH21 ARG 84 -18.674 -9.951 -6.485 651 HH22 ARG 84 HH22 ARG 84 -20.345 -10.246 -6.832 652 H GLY 85 HN GLY 85 -15.988 -4.193 -0.136 653 HA2 GLY 85 HA2 GLY 85 -17.993 -2.988 1.596 654 HA3 GLY 85 HA1 GLY 85 -16.423 -3.231 2.339 655 H GLU 86 HN GLU 86 -18.324 -1.053 0.768 656 HA GLU 86 HA GLU 86 -16.409 0.310 -0.834 657 HB2 GLU 86 HB1 GLU 86 -18.043 2.195 -0.744 658 HB3 GLU 86 HB2 GLU 86 -18.754 0.671 -1.253 659 HG2 GLU 86 HG1 GLU 86 -19.648 0.335 0.997 660 HG3 GLU 86 HG2 GLU 86 -18.939 1.868 1.502 661 H LEU 87 HN LEU 87 -14.786 1.586 -0.209 662 HA LEU 87 HA LEU 87 -14.935 2.904 2.405 663 HB2 LEU 87 HB2 LEU 87 -13.477 0.610 2.032 664 HB3 LEU 87 HB1 LEU 87 -12.278 1.853 1.741 665 HG LEU 87 HG LEU 87 -12.644 2.787 3.950 666 HD11 LEU 87 HD21 LEU 87 -15.030 2.355 4.162 667 HD12 LEU 87 HD22 LEU 87 -14.152 1.712 5.549 668 HD13 LEU 87 HD23 LEU 87 -14.718 0.624 4.282 669 HD21 LEU 87 HD11 LEU 87 -11.034 0.973 3.734 670 HD22 LEU 87 HD12 LEU 87 -12.311 -0.208 4.025 671 HD23 LEU 87 HD13 LEU 87 -11.840 0.913 5.302 672 H SER 88 HN SER 88 -12.806 4.317 2.620 673 HA SER 88 HA SER 88 -12.886 6.135 0.385 674 HB2 SER 88 HB1 SER 88 -11.306 6.245 2.966 675 HB3 SER 88 HB2 SER 88 -11.428 7.556 1.793 676 HG SER 88 HG SER 88 -12.944 7.432 3.730 677 H ALA 89 HN ALA 89 -10.912 6.988 -0.618 678 HA ALA 89 HA ALA 89 -9.339 4.958 -1.740 679 HB1 ALA 89 HB1 ALA 89 -9.845 7.307 -2.630 680 HB2 ALA 89 HB2 ALA 89 -8.247 6.631 -2.940 681 HB3 ALA 89 HB3 ALA 89 -8.467 7.824 -1.660 682 H ASP 90 HN ASP 90 -8.983 6.751 1.177 683 HA ASP 90 HA ASP 90 -6.165 6.377 1.476 684 HB2 ASP 90 HB1 ASP 90 -7.404 8.223 2.577 685 HB3 ASP 90 HB2 ASP 90 -8.244 7.037 3.572 686 H ALA 91 HN ALA 91 -8.965 4.991 3.212 687 HA ALA 91 HA ALA 91 -7.421 3.009 4.530 688 HB1 ALA 91 HB1 ALA 91 -9.576 3.812 5.393 689 HB2 ALA 91 HB2 ALA 91 -9.539 2.055 5.230 690 HB3 ALA 91 HB3 ALA 91 -10.397 3.035 4.039 691 H ALA 92 HN ALA 92 -8.476 3.259 1.338 692 HA ALA 92 HA ALA 92 -8.583 0.378 0.893 693 HB1 ALA 92 HB1 ALA 92 -9.221 0.947 -1.394 694 HB2 ALA 92 HB2 ALA 92 -8.956 2.657 -1.053 695 HB3 ALA 92 HB3 ALA 92 -10.248 1.783 -0.231 696 H GLY 93 HN GLY 93 -6.572 3.180 0.267 697 HA2 GLY 93 HA2 GLY 93 -4.751 1.945 -1.508 698 HA3 GLY 93 HA1 GLY 93 -4.427 3.371 -0.530 699 H ILE 94 HN ILE 94 -5.263 1.626 1.860 700 HA ILE 94 HA ILE 94 -2.636 0.893 2.651 701 HB ILE 94 HB ILE 94 -5.060 -0.235 4.001 702 HG12 ILE 94 HG12 ILE 94 -5.703 2.067 3.544 703 HG13 ILE 94 HG11 ILE 94 -5.328 1.886 5.253 704 HG21 ILE 94 HG21 ILE 94 -2.877 -0.825 4.865 705 HG22 ILE 94 HG22 ILE 94 -3.728 0.205 6.017 706 HG23 ILE 94 HG23 ILE 94 -2.449 0.880 5.010 707 HD11 ILE 94 HD11 ILE 94 -4.478 3.974 4.250 708 HD12 ILE 94 HD12 ILE 94 -3.424 3.006 3.218 709 HD13 ILE 94 HD13 ILE 94 -3.218 2.969 4.970 710 H VAL 95 HN VAL 95 -5.472 -0.924 1.596 711 HA VAL 95 HA VAL 95 -4.222 -3.487 1.854 712 HB VAL 95 HB VAL 95 -6.703 -2.764 0.286 713 HG11 VAL 95 HG11 VAL 95 -5.767 -5.388 1.441 714 HG12 VAL 95 HG12 VAL 95 -5.809 -4.956 -0.268 715 HG13 VAL 95 HG13 VAL 95 -7.313 -5.112 0.638 716 HG21 VAL 95 HG21 VAL 95 -6.919 -2.009 2.588 717 HG22 VAL 95 HG22 VAL 95 -6.448 -3.605 3.170 718 HG23 VAL 95 HG23 VAL 95 -7.961 -3.399 2.288 719 H ALA 96 HN ALA 96 -4.362 -1.034 -0.584 720 HA ALA 96 HA ALA 96 -3.816 -2.730 -2.818 721 HB1 ALA 96 HB1 ALA 96 -3.416 0.246 -2.537 722 HB2 ALA 96 HB2 ALA 96 -4.908 -0.542 -3.052 723 HB3 ALA 96 HB3 ALA 96 -3.456 -0.668 -4.045 724 H THR 97 HN THR 97 -1.821 -0.560 -0.817 725 HA THR 97 HA THR 97 0.598 -1.231 -2.194 726 HB THR 97 HB THR 97 0.416 0.944 -1.146 727 HG1 THR 97 HG1 THR 97 2.497 -0.214 -1.185 728 HG21 THR 97 HG21 THR 97 -1.068 0.308 0.715 729 HG22 THR 97 HG22 THR 97 0.334 1.220 1.270 730 HG23 THR 97 HG23 THR 97 0.279 -0.529 1.488 731 H LEU 98 HN LEU 98 -0.843 -2.156 0.917 732 HA LEU 98 HA LEU 98 1.236 -3.616 1.993 733 HB2 LEU 98 HB2 LEU 98 -1.728 -3.811 2.207 734 HB3 LEU 98 HB1 LEU 98 -0.758 -5.098 2.893 735 HG LEU 98 HG LEU 98 -0.437 -2.184 3.611 736 HD11 LEU 98 HD21 LEU 98 -2.633 -2.947 4.295 737 HD12 LEU 98 HD22 LEU 98 -1.585 -2.768 5.703 738 HD13 LEU 98 HD23 LEU 98 -1.926 -4.372 5.055 739 HD21 LEU 98 HD11 LEU 98 0.625 -4.699 4.890 740 HD22 LEU 98 HD12 LEU 98 0.844 -3.059 5.499 741 HD23 LEU 98 HD13 LEU 98 1.564 -3.532 3.959 742 H PHE 99 HN PHE 99 -1.327 -4.846 -0.163 743 HA PHE 99 HA PHE 99 -0.426 -7.488 -0.284 744 HB2 PHE 99 HB1 PHE 99 -2.199 -5.780 -1.935 745 HB3 PHE 99 HB2 PHE 99 -1.560 -7.225 -2.712 746 HD1 PHE 99 HD2 PHE 99 -3.573 -5.996 0.128 747 HD2 PHE 99 HD1 PHE 99 -2.362 -9.376 -2.162 748 HE1 PHE 99 HE2 PHE 99 -5.303 -7.360 1.225 749 HE2 PHE 99 HE1 PHE 99 -4.091 -10.742 -1.070 750 HZ PHE 99 HZ PHE 99 -5.565 -9.735 0.627 751 H ALA 100 HN ALA 100 0.620 -4.638 -2.024 752 HA ALA 100 HA ALA 100 2.070 -5.895 -4.075 753 HB1 ALA 100 HB1 ALA 100 2.594 -3.225 -2.775 754 HB2 ALA 100 HB2 ALA 100 1.482 -3.522 -4.112 755 HB3 ALA 100 HB3 ALA 100 3.215 -3.761 -4.336 756 H LEU 101 HN LEU 101 3.036 -4.841 -0.830 757 HA LEU 101 HA LEU 101 5.763 -5.373 -0.986 758 HB2 LEU 101 HB2 LEU 101 3.852 -5.551 1.336 759 HB3 LEU 101 HB1 LEU 101 5.584 -5.741 1.513 760 HG LEU 101 HG LEU 101 4.324 -3.261 0.349 761 HD11 LEU 101 HD11 LEU 101 4.635 -2.235 2.546 762 HD12 LEU 101 HD12 LEU 101 5.147 -3.790 3.202 763 HD13 LEU 101 HD13 LEU 101 3.495 -3.579 2.621 764 HD21 LEU 101 HD21 LEU 101 6.673 -3.626 -0.201 765 HD22 LEU 101 HD22 LEU 101 7.053 -3.811 1.511 766 HD23 LEU 101 HD23 LEU 101 6.482 -2.259 0.896 767 H GLY 102 HN GLY 102 3.070 -7.530 -0.210 768 HA2 GLY 102 HA2 GLY 102 4.669 -9.778 0.466 769 HA3 GLY 102 HA1 GLY 102 2.965 -9.813 0.041 770 H GLN 103 HN GLN 103 3.436 -8.551 -2.573 771 HA GLN 103 HA GLN 103 3.894 -10.933 -4.072 772 HB2 GLN 103 HB1 GLN 103 2.338 -9.063 -4.727 773 HB3 GLN 103 HB2 GLN 103 3.759 -8.103 -5.118 774 HG2 GLN 103 HG1 GLN 103 3.138 -8.947 -7.168 775 HG3 GLN 103 HG2 GLN 103 4.390 -10.076 -6.654 776 HE21 GLN 103 HE21 GLN 103 1.002 -9.604 -7.212 777 HE22 GLN 103 HE22 GLN 103 0.546 -11.270 -7.138 778 H LEU 104 HN LEU 104 5.675 -7.878 -3.740 779 HA LEU 104 HA LEU 104 7.803 -8.491 -5.438 780 HB2 LEU 104 HB1 LEU 104 7.067 -6.290 -4.199 781 HB3 LEU 104 HB2 LEU 104 8.206 -6.837 -2.986 782 HG LEU 104 HG LEU 104 9.170 -5.212 -4.568 783 HD11 LEU 104 HD21 LEU 104 11.220 -6.458 -5.047 784 HD12 LEU 104 HD22 LEU 104 10.376 -7.969 -4.709 785 HD13 LEU 104 HD23 LEU 104 10.623 -6.790 -3.422 786 HD21 LEU 104 HD11 LEU 104 9.649 -5.896 -6.864 787 HD22 LEU 104 HD12 LEU 104 7.915 -5.829 -6.555 788 HD23 LEU 104 HD13 LEU 104 8.742 -7.386 -6.608 789 H ALA 105 HN ALA 105 7.461 -8.952 -1.930 790 HA ALA 105 HA ALA 105 10.050 -9.987 -1.497 791 HB1 ALA 105 HB1 ALA 105 8.650 -9.095 0.301 792 HB2 ALA 105 HB2 ALA 105 9.198 -10.734 0.656 793 HB3 ALA 105 HB3 ALA 105 7.543 -10.455 0.113 794 H ALA 106 HN ALA 106 7.422 -11.317 -3.120 795 HA ALA 106 HA ALA 106 8.275 -14.076 -2.572 796 HB1 ALA 106 HB1 ALA 106 6.155 -14.770 -3.548 797 HB2 ALA 106 HB2 ALA 106 5.765 -13.092 -3.924 798 HB3 ALA 106 HB3 ALA 106 5.894 -13.612 -2.244 799 H GLU 107 HN GLU 107 8.151 -11.626 -5.010 800 HA GLU 107 HA GLU 107 8.489 -13.298 -7.275 801 HB2 GLU 107 HB1 GLU 107 8.996 -10.371 -6.770 802 HB3 GLU 107 HB2 GLU 107 9.288 -11.122 -8.329 803 HG2 GLU 107 HG1 GLU 107 6.650 -10.977 -6.891 804 HG3 GLU 107 HG2 GLU 107 7.134 -10.022 -8.292 805 H ILE 108 HN ILE 108 10.590 -12.226 -4.803 806 HA ILE 108 HA ILE 108 12.938 -13.053 -6.381 807 HB ILE 108 HB ILE 108 14.256 -11.736 -4.652 808 HG12 ILE 108 HG11 ILE 108 11.528 -10.537 -4.114 809 HG13 ILE 108 HG12 ILE 108 12.413 -11.570 -2.997 810 HG21 ILE 108 HG21 ILE 108 12.372 -10.245 -6.477 811 HG22 ILE 108 HG22 ILE 108 13.924 -10.950 -6.929 812 HG23 ILE 108 HG23 ILE 108 13.866 -9.601 -5.796 813 HD11 ILE 108 HD11 ILE 108 14.183 -9.905 -2.851 814 HD12 ILE 108 HD12 ILE 108 12.619 -9.229 -2.395 815 HD13 ILE 108 HD13 ILE 108 13.308 -8.872 -3.980 816 H ALA 109 HN ALA 109 13.341 -15.124 -5.893 817 HA ALA 109 HA ALA 109 12.842 -16.181 -3.249 818 HB1 ALA 109 HB1 ALA 109 12.356 -17.527 -5.233 819 HB2 ALA 109 HB2 ALA 109 13.541 -18.316 -4.192 820 HB3 ALA 109 HB3 ALA 109 14.065 -17.504 -5.667 821 H ASP 110 HN ASP 110 15.067 -14.154 -4.001 822 HA ASP 110 HA ASP 110 17.565 -15.353 -3.624 823 HB2 ASP 110 HB1 ASP 110 16.673 -12.568 -2.849 824 HB3 ASP 110 HB2 ASP 110 18.346 -13.101 -2.980 825 H THR 111 HN THR 111 18.989 -15.070 -1.706 826 HA THR 111 HA THR 111 17.522 -15.847 0.709 827 HB THR 111 HB THR 111 19.662 -16.706 1.541 828 HG1 THR 111 HG1 THR 111 20.611 -15.309 -0.669 829 HG21 THR 111 HG21 THR 111 19.061 -17.614 -1.278 830 HG22 THR 111 HG22 THR 111 18.257 -18.183 0.185 831 HG23 THR 111 HG23 THR 111 19.967 -18.526 -0.071 832 H ASP 112 HN ASP 112 19.131 -13.193 -0.624 833 HA ASP 112 HA ASP 112 19.944 -12.092 1.949 834 HB2 ASP 112 HB2 ASP 112 20.201 -10.971 -0.849 835 HB3 ASP 112 HB1 ASP 112 20.855 -10.225 0.605 836 H ALA 113 HN ALA 113 17.755 -11.284 -0.734 837 HA ALA 113 HA ALA 113 16.467 -9.256 0.941 838 HB1 ALA 113 HB1 ALA 113 16.084 -9.867 -1.989 839 HB2 ALA 113 HB2 ALA 113 17.124 -8.605 -1.327 840 HB3 ALA 113 HB3 ALA 113 15.376 -8.514 -1.107 841 H ALA 114 HN ALA 114 13.975 -9.431 -0.581 842 HA ALA 114 HA ALA 114 11.931 -10.419 -0.518 843 HB1 ALA 114 HB1 ALA 114 11.759 -12.839 -0.430 844 HB2 ALA 114 HB2 ALA 114 13.441 -12.956 0.085 845 HB3 ALA 114 HB3 ALA 114 13.051 -12.348 -1.524 846 H ASP 115 HN ASP 115 13.993 -10.305 2.126 847 HA ASP 115 HA ASP 115 11.735 -10.727 3.960 848 HB2 ASP 115 HB2 ASP 115 14.623 -11.502 4.445 849 HB3 ASP 115 HB1 ASP 115 13.330 -11.602 5.636 850 H ALA 116 HN ALA 116 13.981 -8.632 2.706 851 HA ALA 116 HA ALA 116 14.394 -7.060 5.114 852 HB1 ALA 116 HB1 ALA 116 15.699 -5.578 3.676 853 HB2 ALA 116 HB2 ALA 116 15.190 -6.493 2.257 854 HB3 ALA 116 HB3 ALA 116 16.208 -7.255 3.478 855 H LEU 117 HN LEU 117 12.766 -6.747 1.985 856 HA LEU 117 HA LEU 117 11.577 -4.238 2.485 857 HB2 LEU 117 HB2 LEU 117 10.367 -4.587 0.511 858 HB3 LEU 117 HB1 LEU 117 11.850 -5.487 0.257 859 HG LEU 117 HG LEU 117 10.326 -7.452 1.275 860 HD11 LEU 117 HD21 LEU 117 8.398 -5.709 -0.254 861 HD12 LEU 117 HD22 LEU 117 8.381 -5.948 1.495 862 HD13 LEU 117 HD23 LEU 117 8.077 -7.311 0.414 863 HD21 LEU 117 HD11 LEU 117 10.481 -6.509 -1.581 864 HD22 LEU 117 HD12 LEU 117 9.874 -8.090 -1.090 865 HD23 LEU 117 HD13 LEU 117 11.551 -7.650 -0.764 866 H ILE 118 HN ILE 118 10.762 -7.512 3.289 867 HA ILE 118 HA ILE 118 8.079 -7.407 3.858 868 HB ILE 118 HB ILE 118 10.336 -8.900 5.162 869 HG12 ILE 118 HG12 ILE 118 9.625 -9.571 2.909 870 HG13 ILE 118 HG11 ILE 118 9.276 -10.829 4.090 871 HG21 ILE 118 HG21 ILE 118 8.733 -10.197 6.459 872 HG22 ILE 118 HG22 ILE 118 7.420 -9.164 5.889 873 HG23 ILE 118 HG23 ILE 118 8.685 -8.495 6.921 874 HD11 ILE 118 HD11 ILE 118 6.939 -10.153 4.132 875 HD12 ILE 118 HD12 ILE 118 7.459 -10.565 2.497 876 HD13 ILE 118 HD13 ILE 118 7.283 -8.874 2.968 877 H ASP 119 HN ASP 119 10.755 -6.058 5.630 878 HA ASP 119 HA ASP 119 9.632 -5.566 8.106 879 HB2 ASP 119 HB2 ASP 119 11.795 -4.399 6.482 880 HB3 ASP 119 HB1 ASP 119 11.123 -3.317 7.695 881 H ARG 120 HN ARG 120 9.442 -3.633 5.147 882 HA ARG 120 HA ARG 120 8.033 -1.450 6.158 883 HB2 ARG 120 HB1 ARG 120 8.078 -2.697 3.413 884 HB3 ARG 120 HB2 ARG 120 7.173 -1.232 3.764 885 HG2 ARG 120 HG1 ARG 120 9.248 -0.581 2.820 886 HG3 ARG 120 HG2 ARG 120 9.310 -0.194 4.540 887 HD2 ARG 120 HD2 ARG 120 10.630 -2.163 4.982 888 HD3 ARG 120 HD1 ARG 120 10.475 -2.685 3.305 889 HE ARG 120 HE ARG 120 11.625 -0.242 3.099 890 HH11 ARG 120 HH11 ARG 120 12.393 -3.121 4.903 891 HH12 ARG 120 HH12 ARG 120 14.100 -2.826 4.893 892 HH21 ARG 120 HH21 ARG 120 13.870 0.154 3.080 893 HH22 ARG 120 HH22 ARG 120 14.939 -0.965 3.858 894 H TYR 121 HN TYR 121 6.930 -4.609 5.114 895 HA TYR 121 HA TYR 121 4.157 -3.996 5.137 896 HB2 TYR 121 HB2 TYR 121 5.188 -5.941 3.939 897 HB3 TYR 121 HB1 TYR 121 5.445 -6.706 5.503 898 HD1 TYR 121 HD1 TYR 121 3.374 -7.155 6.955 899 HD2 TYR 121 HD2 TYR 121 3.158 -6.212 2.814 900 HE1 TYR 121 HE1 TYR 121 1.115 -8.120 6.858 901 HE2 TYR 121 HE2 TYR 121 0.898 -7.173 2.705 902 HH TYR 121 HH TYR 121 -0.449 -8.857 3.979 903 H HIS 122 HN HIS 122 6.305 -5.563 7.499 904 HA HIS 122 HA HIS 122 4.360 -6.095 9.442 905 HB2 HIS 122 HB1 HIS 122 7.331 -5.611 9.681 906 HB3 HIS 122 HB2 HIS 122 6.324 -6.104 11.038 907 HD1 HIS 122 HD1 HIS 122 7.879 -8.266 11.095 908 HD2 HIS 122 HD2 HIS 122 5.434 -7.889 7.756 909 HE1 HIS 122 HE1 HIS 122 7.836 -10.544 10.031 910 HE2 HIS 122 HE2 HIS 122 6.418 -10.271 7.967 911 H PHE 123 HN PHE 123 6.184 -3.188 8.730 912 HA PHE 123 HA PHE 123 5.360 -1.833 11.132 913 HB2 PHE 123 HB1 PHE 123 6.613 -0.720 8.613 914 HB3 PHE 123 HB2 PHE 123 6.435 0.139 10.139 915 HD1 PHE 123 HD1 PHE 123 7.171 -2.200 11.952 916 HD2 PHE 123 HD2 PHE 123 8.959 -0.627 8.423 917 HE1 PHE 123 HE1 PHE 123 9.361 -3.049 12.686 918 HE2 PHE 123 HE2 PHE 123 11.150 -1.475 9.151 919 HZ PHE 123 HZ PHE 123 11.354 -2.689 11.284 920 H LEU 124 HN LEU 124 4.594 -1.492 7.670 921 HA LEU 124 HA LEU 124 2.697 0.503 7.811 922 HB2 LEU 124 HB1 LEU 124 3.701 -0.785 5.791 923 HB3 LEU 124 HB2 LEU 124 2.334 -1.859 5.998 924 HG LEU 124 HG LEU 124 2.111 1.111 5.494 925 HD11 LEU 124 HD11 LEU 124 3.083 -0.023 3.573 926 HD12 LEU 124 HD12 LEU 124 1.426 0.477 3.232 927 HD13 LEU 124 HD13 LEU 124 1.780 -1.211 3.600 928 HD21 LEU 124 HD21 LEU 124 0.200 0.187 6.690 929 HD22 LEU 124 HD22 LEU 124 0.037 -1.078 5.472 930 HD23 LEU 124 HD23 LEU 124 -0.237 0.608 5.033 931 H ARG 125 HN ARG 125 2.099 -3.002 7.866 932 HA ARG 125 HA ARG 125 -0.583 -3.097 8.268 933 HB2 ARG 125 HB2 ARG 125 0.635 -5.140 8.095 934 HB3 ARG 125 HB1 ARG 125 1.573 -4.780 9.538 935 HG2 ARG 125 HG2 ARG 125 -0.383 -5.058 10.927 936 HG3 ARG 125 HG1 ARG 125 -1.392 -5.305 9.501 937 HD2 ARG 125 HD2 ARG 125 0.960 -7.064 10.128 938 HD3 ARG 125 HD1 ARG 125 -0.649 -7.380 10.774 939 HE ARG 125 HE ARG 125 -0.872 -7.061 8.010 940 HH11 ARG 125 HH11 ARG 125 0.558 -9.260 10.301 941 HH12 ARG 125 HH12 ARG 125 0.403 -10.642 9.268 942 HH21 ARG 125 HH21 ARG 125 -1.084 -8.874 6.643 943 HH22 ARG 125 HH22 ARG 125 -0.531 -10.422 7.187 944 H GLY 126 HN GLY 126 1.879 -2.399 10.715 945 HA2 GLY 126 HA1 GLY 126 0.198 -2.350 12.957 946 HA3 GLY 126 HA2 GLY 126 1.723 -1.491 12.809 947 H PHE 127 HN PHE 127 0.945 0.172 10.584 948 HA PHE 127 HA PHE 127 -0.312 2.270 12.037 949 HB2 PHE 127 HB2 PHE 127 1.360 2.776 10.354 950 HB3 PHE 127 HB1 PHE 127 0.385 2.008 9.106 951 HD1 PHE 127 HD2 PHE 127 0.308 4.802 11.559 952 HD2 PHE 127 HD1 PHE 127 -1.076 3.272 7.837 953 HE1 PHE 127 HE2 PHE 127 -0.778 6.957 11.081 954 HE2 PHE 127 HE1 PHE 127 -2.161 5.425 7.351 955 HZ PHE 127 HZ PHE 127 -2.014 7.271 8.974 956 H ALA 128 HN ALA 128 -1.399 -0.093 9.699 957 HA ALA 128 HA ALA 128 -3.840 1.080 8.976 958 HB1 ALA 128 HB1 ALA 128 -2.848 -0.792 7.761 959 HB2 ALA 128 HB2 ALA 128 -4.503 -1.153 8.254 960 HB3 ALA 128 HB3 ALA 128 -3.146 -1.849 9.140 961 H ALA 129 HN ALA 129 -2.846 -0.572 11.847 962 HA ALA 129 HA ALA 129 -5.453 -1.269 12.779 963 HB1 ALA 129 HB1 ALA 129 -4.348 -1.750 14.898 964 HB2 ALA 129 HB2 ALA 129 -2.878 -0.964 14.320 965 HB3 ALA 129 HB3 ALA 129 -3.452 -2.442 13.546 966 H GLY 130 HN GLY 130 -3.485 1.590 12.912 967 HA2 GLY 130 HA2 GLY 130 -5.025 2.805 15.048 968 HA3 GLY 130 HA1 GLY 130 -3.721 3.557 14.141 969 H HIS 131 HN HIS 131 -5.503 2.355 11.773 970 HA HIS 131 HA HIS 131 -6.637 4.861 11.060 971 HB2 HIS 131 HB2 HIS 131 -6.471 2.155 9.866 972 HB3 HIS 131 HB1 HIS 131 -7.821 3.154 9.332 973 HD1 HIS 131 HD1 HIS 131 -6.716 5.833 8.892 974 HD2 HIS 131 HD2 HIS 131 -4.499 2.422 8.054 975 HE1 HIS 131 HE1 HIS 131 -4.971 6.556 7.233 976 HE2 HIS 131 HE2 HIS 131 -3.693 4.458 6.678 977 HA PRO 132 HA PRO 132 -10.647 4.644 12.887 978 HB2 PRO 132 HB1 PRO 132 -12.165 5.872 10.980 979 HB3 PRO 132 HB2 PRO 132 -11.088 6.745 12.074 980 HG2 PRO 132 HG2 PRO 132 -10.638 5.904 9.238 981 HG3 PRO 132 HG1 PRO 132 -10.222 7.434 10.032 982 HD2 PRO 132 HD1 PRO 132 -8.391 5.501 9.576 983 HD3 PRO 132 HD2 PRO 132 -8.316 6.562 10.998 984 H GLU 133 HN GLU 133 -9.799 2.970 10.129 985 HA GLU 133 HA GLU 133 -12.235 1.341 10.281 986 HB2 GLU 133 HB2 GLU 133 -10.902 2.394 7.792 987 HB3 GLU 133 HB1 GLU 133 -11.954 0.986 7.763 988 HG2 GLU 133 HG1 GLU 133 -12.782 3.683 8.790 989 HG3 GLU 133 HG2 GLU 133 -13.059 3.124 7.141 990 H ALA 134 HN ALA 134 -9.513 1.132 11.384 991 HA ALA 134 HA ALA 134 -7.751 -0.537 10.207 992 HB1 ALA 134 HB1 ALA 134 -8.738 -0.826 13.043 993 HB2 ALA 134 HB2 ALA 134 -7.513 0.315 12.492 994 HB3 ALA 134 HB3 ALA 134 -7.203 -1.419 12.410 995 H ALA 135 HN ALA 135 -10.806 -1.514 11.707 996 HA ALA 135 HA ALA 135 -10.530 -4.270 11.396 997 HB1 ALA 135 HB1 ALA 135 -12.945 -4.384 11.667 998 HB2 ALA 135 HB2 ALA 135 -13.074 -2.652 11.360 999 HB3 ALA 135 HB3 ALA 135 -12.243 -3.232 12.802 1000 H ALA 136 HN ALA 136 -11.957 -1.851 9.201 1001 HA ALA 136 HA ALA 136 -12.811 -3.703 7.242 1002 HB1 ALA 136 HB1 ALA 136 -12.100 -0.791 6.913 1003 HB2 ALA 136 HB2 ALA 136 -13.682 -1.424 7.364 1004 HB3 ALA 136 HB3 ALA 136 -13.014 -1.770 5.768 1005 H ILE 137 HN ILE 137 -9.790 -1.990 7.770 1006 HA ILE 137 HA ILE 137 -8.611 -2.790 5.276 1007 HB ILE 137 HB ILE 137 -7.332 -1.686 7.780 1008 HG12 ILE 137 HG12 ILE 137 -7.892 -0.182 5.233 1009 HG13 ILE 137 HG11 ILE 137 -9.089 -0.285 6.522 1010 HG21 ILE 137 HG21 ILE 137 -5.732 -2.875 6.387 1011 HG22 ILE 137 HG22 ILE 137 -5.433 -1.137 6.343 1012 HG23 ILE 137 HG23 ILE 137 -6.232 -1.930 4.984 1013 HD11 ILE 137 HD11 ILE 137 -6.325 0.875 6.740 1014 HD12 ILE 137 HD12 ILE 137 -7.470 0.712 8.071 1015 HD13 ILE 137 HD13 ILE 137 -7.847 1.766 6.708 1016 H TYR 138 HN TYR 138 -8.842 -4.049 8.498 1017 HA TYR 138 HA TYR 138 -6.640 -5.823 8.434 1018 HB2 TYR 138 HB2 TYR 138 -8.321 -4.897 10.351 1019 HB3 TYR 138 HB1 TYR 138 -8.990 -6.505 10.092 1020 HD1 TYR 138 HD2 TYR 138 -7.616 -8.501 10.520 1021 HD2 TYR 138 HD1 TYR 138 -6.238 -4.583 11.426 1022 HE1 TYR 138 HE2 TYR 138 -5.869 -9.461 11.968 1023 HE2 TYR 138 HE1 TYR 138 -4.485 -5.526 12.879 1024 HH TYR 138 HH TYR 138 -4.060 -7.590 14.147 1025 H ARG 139 HN ARG 139 -10.110 -6.254 7.850 1026 HA ARG 139 HA ARG 139 -9.813 -9.060 7.295 1027 HB2 ARG 139 HB2 ARG 139 -12.225 -8.879 6.598 1028 HB3 ARG 139 HB1 ARG 139 -11.883 -8.400 8.255 1029 HG2 ARG 139 HG2 ARG 139 -11.661 -6.018 7.023 1030 HG3 ARG 139 HG1 ARG 139 -12.852 -6.805 5.984 1031 HD2 ARG 139 HD2 ARG 139 -13.051 -6.600 8.984 1032 HD3 ARG 139 HD1 ARG 139 -13.861 -5.520 7.849 1033 HE ARG 139 HE ARG 139 -14.436 -8.307 7.420 1034 HH11 ARG 139 HH11 ARG 139 -15.339 -5.422 9.154 1035 HH12 ARG 139 HH12 ARG 139 -16.967 -5.943 9.433 1036 HH21 ARG 139 HH21 ARG 139 -16.579 -9.002 7.782 1037 HH22 ARG 139 HH22 ARG 139 -17.672 -7.978 8.653 1038 H ALA 140 HN ALA 140 -9.777 -6.102 5.483 1039 HA ALA 140 HA ALA 140 -10.299 -7.197 2.925 1040 HB1 ALA 140 HB1 ALA 140 -9.359 -5.127 2.048 1041 HB2 ALA 140 HB2 ALA 140 -8.713 -4.733 3.641 1042 HB3 ALA 140 HB3 ALA 140 -10.458 -4.799 3.388 1043 H ILE 141 HN ILE 141 -7.373 -6.782 4.838 1044 HA ILE 141 HA ILE 141 -5.728 -7.890 2.697 1045 HB ILE 141 HB ILE 141 -3.818 -7.399 4.115 1046 HG12 ILE 141 HG11 ILE 141 -5.835 -6.435 6.158 1047 HG13 ILE 141 HG12 ILE 141 -4.903 -7.924 6.284 1048 HG21 ILE 141 HG21 ILE 141 -4.699 -5.612 2.715 1049 HG22 ILE 141 HG22 ILE 141 -4.024 -4.963 4.210 1050 HG23 ILE 141 HG23 ILE 141 -5.772 -5.104 4.020 1051 HD11 ILE 141 HD11 ILE 141 -3.764 -5.141 6.223 1052 HD12 ILE 141 HD12 ILE 141 -2.841 -6.637 6.369 1053 HD13 ILE 141 HD13 ILE 141 -3.953 -6.157 7.651 1054 H ASP 142 HN ASP 142 -7.440 -8.919 5.434 1055 HA ASP 142 HA ASP 142 -5.821 -11.026 6.360 1056 HB2 ASP 142 HB1 ASP 142 -7.740 -10.172 7.631 1057 HB3 ASP 142 HB2 ASP 142 -8.838 -10.789 6.400 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -8.780 -0.037 22.366 2 H2 MET 1 HT2 MET 1 -9.269 1.491 22.902 3 H3 MET 1 HT3 MET 1 -7.622 1.131 22.761 4 HA MET 1 HA MET 1 -7.825 0.920 20.381 5 HB2 MET 1 HB1 MET 1 -10.124 0.150 20.272 6 HB3 MET 1 HB2 MET 1 -10.703 1.680 20.915 7 HG2 MET 1 HG2 MET 1 -11.063 1.531 18.519 8 HG3 MET 1 HG1 MET 1 -9.940 2.831 18.917 9 HE1 MET 1 HE1 MET 1 -10.263 1.762 15.971 10 HE2 MET 1 HE2 MET 1 -8.579 1.625 15.464 11 HE3 MET 1 HE3 MET 1 -9.101 3.010 16.423 12 H ASN 2 HN ASN 2 -10.015 3.420 21.666 13 HA ASN 2 HA ASN 2 -8.296 5.469 20.513 14 HB2 ASN 2 HB2 ASN 2 -10.998 5.696 21.858 15 HB3 ASN 2 HB1 ASN 2 -10.139 7.013 21.064 16 HD21 ASN 2 HD21 ASN 2 -9.139 5.291 18.932 17 HD22 ASN 2 HD22 ASN 2 -10.483 4.998 17.887 18 H THR 3 HN THR 3 -8.632 3.891 23.437 19 HA THR 3 HA THR 3 -8.123 6.085 25.208 20 HB THR 3 HB THR 3 -7.718 4.364 26.918 21 HG1 THR 3 HG1 THR 3 -7.952 2.146 26.267 22 HG21 THR 3 HG21 THR 3 -10.127 3.784 25.190 23 HG22 THR 3 HG22 THR 3 -10.022 5.030 26.434 24 HG23 THR 3 HG23 THR 3 -9.940 3.327 26.883 25 H GLU 4 HN GLU 4 -6.237 4.608 22.940 26 HA GLU 4 HA GLU 4 -3.789 5.496 24.286 27 HB2 GLU 4 HB2 GLU 4 -2.579 3.515 23.437 28 HB3 GLU 4 HB1 GLU 4 -3.832 3.092 24.595 29 HG2 GLU 4 HG2 GLU 4 -5.310 2.443 22.766 30 HG3 GLU 4 HG1 GLU 4 -4.059 2.874 21.601 31 H GLU 5 HN GLU 5 -1.922 5.564 22.670 32 HA GLU 5 HA GLU 5 -2.868 6.269 19.979 33 HB2 GLU 5 HB1 GLU 5 -2.642 8.342 21.279 34 HB3 GLU 5 HB2 GLU 5 -0.979 7.923 21.665 35 HG2 GLU 5 HG2 GLU 5 -0.383 8.063 19.310 36 HG3 GLU 5 HG1 GLU 5 -2.055 8.453 18.904 37 H GLN 6 HN GLN 6 -1.849 4.983 18.596 38 HA GLN 6 HA GLN 6 0.487 3.527 19.218 39 HB2 GLN 6 HB2 GLN 6 0.400 2.701 16.986 40 HB3 GLN 6 HB1 GLN 6 -1.263 2.881 17.530 41 HG2 GLN 6 HG2 GLN 6 -1.472 4.951 16.293 42 HG3 GLN 6 HG1 GLN 6 0.216 4.842 15.794 43 HE21 GLN 6 HE21 GLN 6 -0.184 4.756 13.636 44 HE22 GLN 6 HE22 GLN 6 -0.949 3.416 12.860 45 HA PRO 7 HA PRO 7 3.706 6.357 18.222 46 HB2 PRO 7 HB2 PRO 7 5.671 4.696 17.415 47 HB3 PRO 7 HB1 PRO 7 5.154 4.816 19.100 48 HG2 PRO 7 HG2 PRO 7 4.442 2.769 17.038 49 HG3 PRO 7 HG1 PRO 7 4.838 2.542 18.751 50 HD2 PRO 7 HD1 PRO 7 2.287 2.549 17.795 51 HD3 PRO 7 HD2 PRO 7 2.710 3.065 19.438 52 H VAL 8 HN VAL 8 4.346 3.899 15.832 53 HA VAL 8 HA VAL 8 5.188 5.446 13.780 54 HB VAL 8 HB VAL 8 3.505 2.978 13.397 55 HG11 VAL 8 HG21 VAL 8 3.953 4.227 11.345 56 HG12 VAL 8 HG22 VAL 8 4.809 2.684 11.359 57 HG13 VAL 8 HG23 VAL 8 5.682 4.180 11.693 58 HG21 VAL 8 HG11 VAL 8 5.617 1.731 13.504 59 HG22 VAL 8 HG12 VAL 8 5.260 2.546 15.027 60 HG23 VAL 8 HG13 VAL 8 6.464 3.219 13.927 61 H THR 9 HN THR 9 4.374 6.943 12.540 62 HA THR 9 HA THR 9 1.551 6.848 11.753 63 HB THR 9 HB THR 9 1.362 9.303 12.046 64 HG1 THR 9 HG1 THR 9 3.840 9.017 13.433 65 HG21 THR 9 HG21 THR 9 0.469 7.828 13.767 66 HG22 THR 9 HG22 THR 9 1.135 9.289 14.498 67 HG23 THR 9 HG23 THR 9 2.040 7.777 14.564 68 H ALA 10 HN ALA 10 1.158 7.530 9.681 69 HA ALA 10 HA ALA 10 3.483 7.839 7.989 70 HB1 ALA 10 HB1 ALA 10 1.908 7.651 6.133 71 HB2 ALA 10 HB2 ALA 10 0.558 7.717 7.266 72 HB3 ALA 10 HB3 ALA 10 1.673 6.351 7.302 73 H SER 11 HN SER 11 3.509 9.499 6.267 74 HA SER 11 HA SER 11 2.075 11.963 6.833 75 HB2 SER 11 HB2 SER 11 4.032 12.167 8.287 76 HB3 SER 11 HB1 SER 11 5.100 11.822 6.926 77 HG SER 11 HG SER 11 3.395 14.068 7.233 78 H LEU 12 HN LEU 12 2.268 13.532 5.105 79 HA LEU 12 HA LEU 12 2.625 12.223 2.547 80 HB2 LEU 12 HB2 LEU 12 0.683 13.736 3.118 81 HB3 LEU 12 HB1 LEU 12 1.809 15.078 3.053 82 HG LEU 12 HG LEU 12 2.262 14.611 0.695 83 HD11 LEU 12 HD11 LEU 12 0.183 12.443 0.959 84 HD12 LEU 12 HD12 LEU 12 1.918 12.175 0.792 85 HD13 LEU 12 HD13 LEU 12 1.011 12.931 -0.520 86 HD21 LEU 12 HD21 LEU 12 0.445 16.136 1.272 87 HD22 LEU 12 HD22 LEU 12 -0.684 14.781 1.314 88 HD23 LEU 12 HD23 LEU 12 0.084 15.243 -0.206 89 H VAL 13 HN VAL 13 4.186 12.627 1.067 90 HA VAL 13 HA VAL 13 6.439 14.271 1.963 91 HB VAL 13 HB VAL 13 6.350 12.305 -0.328 92 HG11 VAL 13 HG11 VAL 13 8.100 13.989 -0.534 93 HG12 VAL 13 HG12 VAL 13 8.789 12.401 -0.195 94 HG13 VAL 13 HG13 VAL 13 8.673 13.604 1.089 95 HG21 VAL 13 HG21 VAL 13 7.355 11.911 2.487 96 HG22 VAL 13 HG22 VAL 13 7.521 10.758 1.163 97 HG23 VAL 13 HG23 VAL 13 5.921 11.165 1.782 98 H ALA 14 HN ALA 14 7.104 16.047 0.911 99 HA ALA 14 HA ALA 14 5.546 17.634 -0.616 100 HB1 ALA 14 HB1 ALA 14 7.543 18.794 -1.378 101 HB2 ALA 14 HB2 ALA 14 8.536 17.410 -0.921 102 HB3 ALA 14 HB3 ALA 14 7.692 18.338 0.319 103 H GLU 15 HN GLU 15 5.197 18.073 -2.792 104 HA GLU 15 HA GLU 15 5.003 15.838 -4.489 105 HB2 GLU 15 HB2 GLU 15 4.324 17.474 -6.219 106 HB3 GLU 15 HB1 GLU 15 3.464 17.684 -4.699 107 HG2 GLU 15 HG2 GLU 15 4.934 19.544 -4.121 108 HG3 GLU 15 HG1 GLU 15 5.800 19.332 -5.642 109 H ALA 16 HN ALA 16 7.559 18.118 -4.006 110 HA ALA 16 HA ALA 16 8.870 17.290 -6.491 111 HB1 ALA 16 HB1 ALA 16 9.604 19.455 -4.527 112 HB2 ALA 16 HB2 ALA 16 8.800 19.677 -6.080 113 HB3 ALA 16 HB3 ALA 16 10.465 19.098 -6.024 114 H GLN 17 HN GLN 17 8.699 16.227 -3.379 115 HA GLN 17 HA GLN 17 11.494 15.330 -3.340 116 HB2 GLN 17 HB2 GLN 17 9.517 15.949 -1.180 117 HB3 GLN 17 HB1 GLN 17 10.803 14.790 -0.868 118 HG2 GLN 17 HG1 GLN 17 11.667 16.810 -0.123 119 HG3 GLN 17 HG2 GLN 17 12.377 16.582 -1.720 120 HE21 GLN 17 HE21 GLN 17 11.637 17.807 -3.463 121 HE22 GLN 17 HE22 GLN 17 10.834 19.319 -3.212 122 H ARG 18 HN ARG 18 8.236 14.411 -3.592 123 HA ARG 18 HA ARG 18 8.462 11.701 -2.755 124 HB2 ARG 18 HB1 ARG 18 6.269 11.484 -3.971 125 HB3 ARG 18 HB2 ARG 18 6.310 12.741 -2.741 126 HG2 ARG 18 HG2 ARG 18 6.647 14.429 -4.460 127 HG3 ARG 18 HG1 ARG 18 6.629 13.174 -5.701 128 HD2 ARG 18 HD1 ARG 18 4.472 14.233 -5.603 129 HD3 ARG 18 HD2 ARG 18 4.355 12.580 -5.019 130 HE ARG 18 HE ARG 18 4.761 14.356 -2.863 131 HH11 ARG 18 HH11 ARG 18 2.337 13.284 -5.123 132 HH12 ARG 18 HH12 ARG 18 1.010 13.638 -4.068 133 HH21 ARG 18 HH21 ARG 18 3.016 14.827 -1.465 134 HH22 ARG 18 HH22 ARG 18 1.395 14.515 -1.991 135 H LEU 19 HN LEU 19 9.414 13.405 -5.537 136 HA LEU 19 HA LEU 19 9.217 11.231 -7.404 137 HB2 LEU 19 HB2 LEU 19 10.546 12.720 -8.877 138 HB3 LEU 19 HB1 LEU 19 9.077 13.453 -8.264 139 HG LEU 19 HG LEU 19 10.734 14.393 -6.417 140 HD11 LEU 19 HD11 LEU 19 12.697 13.220 -7.228 141 HD12 LEU 19 HD12 LEU 19 12.903 14.963 -7.400 142 HD13 LEU 19 HD13 LEU 19 12.518 13.978 -8.811 143 HD21 LEU 19 HD21 LEU 19 10.990 16.414 -7.793 144 HD22 LEU 19 HD22 LEU 19 9.352 15.763 -7.845 145 HD23 LEU 19 HD23 LEU 19 10.448 15.504 -9.203 146 H ASP 20 HN ASP 20 11.622 12.459 -5.202 147 HA ASP 20 HA ASP 20 13.587 10.541 -6.251 148 HB2 ASP 20 HB2 ASP 20 14.354 12.876 -6.152 149 HB3 ASP 20 HB1 ASP 20 14.003 12.919 -4.427 150 H PHE 21 HN PHE 21 11.523 11.244 -3.625 151 HA PHE 21 HA PHE 21 12.855 9.940 -1.525 152 HB2 PHE 21 HB2 PHE 21 10.817 11.437 -1.345 153 HB3 PHE 21 HB1 PHE 21 9.859 10.060 -1.881 154 HD1 PHE 21 HD2 PHE 21 11.975 11.369 0.824 155 HD2 PHE 21 HD1 PHE 21 9.353 8.256 -0.416 156 HE1 PHE 21 HE2 PHE 21 11.836 10.568 3.145 157 HE2 PHE 21 HE1 PHE 21 9.207 7.450 1.903 158 HZ PHE 21 HZ PHE 21 10.450 8.606 3.688 159 H LEU 22 HN LEU 22 11.049 8.743 -4.235 160 HA LEU 22 HA LEU 22 10.587 6.142 -3.163 161 HB2 LEU 22 HB2 LEU 22 9.398 7.376 -5.130 162 HB3 LEU 22 HB1 LEU 22 10.696 6.706 -6.099 163 HG LEU 22 HG LEU 22 10.029 4.462 -5.596 164 HD11 LEU 22 HD11 LEU 22 9.425 4.703 -3.279 165 HD12 LEU 22 HD12 LEU 22 8.069 3.998 -4.163 166 HD13 LEU 22 HD13 LEU 22 8.035 5.702 -3.709 167 HD21 LEU 22 HD21 LEU 22 8.815 5.543 -7.395 168 HD22 LEU 22 HD22 LEU 22 7.632 6.168 -6.247 169 HD23 LEU 22 HD23 LEU 22 7.758 4.430 -6.526 170 HA PRO 23 HA PRO 23 14.353 4.820 -5.879 171 HB2 PRO 23 HB2 PRO 23 15.999 6.793 -6.785 172 HB3 PRO 23 HB1 PRO 23 14.649 6.143 -7.720 173 HG2 PRO 23 HG2 PRO 23 14.791 8.656 -6.089 174 HG3 PRO 23 HG1 PRO 23 14.064 8.393 -7.686 175 HD2 PRO 23 HD2 PRO 23 12.597 8.494 -5.419 176 HD3 PRO 23 HD1 PRO 23 12.148 7.474 -6.801 177 H THR 24 HN THR 24 14.463 7.467 -3.658 178 HA THR 24 HA THR 24 17.156 6.827 -2.750 179 HB THR 24 HB THR 24 15.209 9.016 -2.091 180 HG1 THR 24 HG1 THR 24 17.245 10.197 -2.683 181 HG21 THR 24 HG21 THR 24 16.221 8.264 0.029 182 HG22 THR 24 HG22 THR 24 16.748 9.883 -0.431 183 HG23 THR 24 HG23 THR 24 17.823 8.505 -0.670 184 H TYR 25 HN TYR 25 13.845 6.714 -1.525 185 HA TYR 25 HA TYR 25 14.810 5.464 0.946 186 HB2 TYR 25 HB2 TYR 25 12.992 7.384 0.744 187 HB3 TYR 25 HB1 TYR 25 11.912 6.012 0.518 188 HD1 TYR 25 HD2 TYR 25 11.704 4.299 2.318 189 HD2 TYR 25 HD1 TYR 25 13.891 7.904 2.881 190 HE1 TYR 25 HE2 TYR 25 11.621 3.963 4.751 191 HE2 TYR 25 HE1 TYR 25 13.815 7.577 5.316 192 HH TYR 25 HH TYR 25 12.858 4.646 6.749 193 H PHE 26 HN PHE 26 12.518 4.851 -1.697 194 HA PHE 26 HA PHE 26 11.927 2.203 -0.755 195 HB2 PHE 26 HB2 PHE 26 10.568 3.900 -2.337 196 HB3 PHE 26 HB1 PHE 26 11.356 2.928 -3.576 197 HD1 PHE 26 HD1 PHE 26 9.589 2.331 -0.338 198 HD2 PHE 26 HD2 PHE 26 10.117 1.201 -4.406 199 HE1 PHE 26 HE1 PHE 26 7.860 0.600 -0.077 200 HE2 PHE 26 HE2 PHE 26 8.389 -0.532 -4.153 201 HZ PHE 26 HZ PHE 26 7.258 -0.834 -1.987 202 H GLY 27 HN GLY 27 13.888 3.598 -3.381 203 HA2 GLY 27 HA2 GLY 27 16.083 2.377 -3.609 204 HA3 GLY 27 HA1 GLY 27 15.106 0.927 -3.725 205 HA PRO 28 HA PRO 28 15.673 3.257 -7.916 206 HB2 PRO 28 HB2 PRO 28 17.986 2.152 -8.834 207 HB3 PRO 28 HB1 PRO 28 17.935 3.681 -7.951 208 HG2 PRO 28 HG2 PRO 28 18.598 0.938 -6.953 209 HG3 PRO 28 HG1 PRO 28 19.397 2.480 -6.598 210 HD2 PRO 28 HD2 PRO 28 17.649 1.327 -4.888 211 HD3 PRO 28 HD1 PRO 28 17.806 3.089 -5.041 212 H ARG 29 HN ARG 29 15.820 0.145 -6.581 213 HA ARG 29 HA ARG 29 14.802 -1.028 -9.077 214 HB2 ARG 29 HB2 ARG 29 17.135 -1.792 -7.808 215 HB3 ARG 29 HB1 ARG 29 15.959 -2.949 -7.198 216 HG2 ARG 29 HG2 ARG 29 16.721 -2.426 -10.058 217 HG3 ARG 29 HG1 ARG 29 16.938 -3.909 -9.125 218 HD2 ARG 29 HD2 ARG 29 14.222 -2.744 -9.675 219 HD3 ARG 29 HD1 ARG 29 15.013 -3.852 -10.800 220 HE ARG 29 HE ARG 29 13.812 -4.507 -8.264 221 HH11 ARG 29 HH11 ARG 29 16.090 -5.486 -10.713 222 HH12 ARG 29 HH12 ARG 29 16.015 -7.165 -10.295 223 HH21 ARG 29 HH21 ARG 29 13.709 -6.716 -7.706 224 HH22 ARG 29 HH22 ARG 29 14.662 -7.864 -8.585 225 H LEU 30 HN LEU 30 13.420 0.282 -6.964 226 HA LEU 30 HA LEU 30 11.612 -1.876 -6.189 227 HB2 LEU 30 HB1 LEU 30 12.690 0.197 -4.279 228 HB3 LEU 30 HB2 LEU 30 11.334 -0.856 -3.929 229 HG LEU 30 HG LEU 30 13.061 -2.764 -4.461 230 HD11 LEU 30 HD11 LEU 30 15.329 -2.192 -3.791 231 HD12 LEU 30 HD12 LEU 30 14.865 -0.499 -3.630 232 HD13 LEU 30 HD13 LEU 30 14.842 -1.272 -5.214 233 HD21 LEU 30 HD21 LEU 30 13.649 -2.835 -2.096 234 HD22 LEU 30 HD22 LEU 30 11.949 -2.426 -2.329 235 HD23 LEU 30 HD23 LEU 30 13.110 -1.166 -1.914 236 H MET 31 HN MET 31 12.237 1.556 -6.531 237 HA MET 31 HA MET 31 9.874 2.752 -6.150 238 HB2 MET 31 HB2 MET 31 10.458 4.144 -8.279 239 HB3 MET 31 HB1 MET 31 11.519 4.194 -6.878 240 HG2 MET 31 HG2 MET 31 13.175 3.006 -7.911 241 HG3 MET 31 HG1 MET 31 12.065 2.188 -9.006 242 HE1 MET 31 HE1 MET 31 14.347 4.108 -11.520 243 HE2 MET 31 HE2 MET 31 13.635 2.553 -11.086 244 HE3 MET 31 HE3 MET 31 14.829 3.305 -10.026 245 H MET 32 HN MET 32 10.666 1.017 -9.161 246 HA MET 32 HA MET 32 7.941 1.366 -10.101 247 HB2 MET 32 HB2 MET 32 8.736 0.220 -12.138 248 HB3 MET 32 HB1 MET 32 9.724 1.615 -11.731 249 HG2 MET 32 HG2 MET 32 11.382 0.100 -10.711 250 HG3 MET 32 HG1 MET 32 10.407 -1.273 -11.233 251 HE1 MET 32 HE1 MET 32 9.939 -1.855 -13.802 252 HE2 MET 32 HE2 MET 32 10.573 -0.901 -15.143 253 HE3 MET 32 HE3 MET 32 9.357 -0.211 -14.068 254 H ARG 33 HN ARG 33 10.094 -1.188 -8.998 255 HA ARG 33 HA ARG 33 8.530 -3.413 -9.515 256 HB2 ARG 33 HB2 ARG 33 10.392 -2.889 -7.195 257 HB3 ARG 33 HB1 ARG 33 9.735 -4.468 -7.598 258 HG2 ARG 33 HG2 ARG 33 11.425 -2.819 -9.464 259 HG3 ARG 33 HG1 ARG 33 12.052 -4.081 -8.404 260 HD2 ARG 33 HD1 ARG 33 9.982 -4.461 -10.563 261 HD3 ARG 33 HD2 ARG 33 11.683 -4.908 -10.679 262 HE ARG 33 HE ARG 33 10.380 -6.114 -8.437 263 HH11 ARG 33 HH11 ARG 33 10.920 -6.380 -11.870 264 HH12 ARG 33 HH12 ARG 33 10.663 -8.093 -11.907 265 HH21 ARG 33 HH21 ARG 33 10.043 -8.368 -8.477 266 HH22 ARG 33 HH22 ARG 33 10.165 -9.222 -9.979 267 H GLY 34 HN GLY 34 8.255 -1.040 -6.924 268 HA2 GLY 34 HA2 GLY 34 6.119 -2.624 -5.691 269 HA3 GLY 34 HA1 GLY 34 6.934 -1.251 -4.963 270 H GLU 35 HN GLU 35 6.666 0.510 -7.246 271 HA GLU 35 HA GLU 35 4.231 1.723 -6.634 272 HB2 GLU 35 HB1 GLU 35 6.065 2.928 -7.716 273 HB3 GLU 35 HB2 GLU 35 5.866 1.957 -9.168 274 HG2 GLU 35 HG2 GLU 35 3.569 2.881 -9.395 275 HG3 GLU 35 HG1 GLU 35 3.919 3.951 -8.038 276 H ALA 36 HN ALA 36 5.108 -0.283 -9.430 277 HA ALA 36 HA ALA 36 2.494 -0.297 -10.549 278 HB1 ALA 36 HB1 ALA 36 3.341 -2.092 -11.984 279 HB2 ALA 36 HB2 ALA 36 4.781 -2.218 -10.974 280 HB3 ALA 36 HB3 ALA 36 4.476 -0.745 -11.894 281 H LEU 37 HN LEU 37 4.152 -2.295 -8.224 282 HA LEU 37 HA LEU 37 2.406 -4.500 -8.234 283 HB2 LEU 37 HB2 LEU 37 4.691 -3.632 -6.775 284 HB3 LEU 37 HB1 LEU 37 3.476 -4.158 -5.629 285 HG LEU 37 HG LEU 37 5.025 -5.966 -6.232 286 HD11 LEU 37 HD21 LEU 37 3.350 -7.659 -6.770 287 HD12 LEU 37 HD22 LEU 37 2.217 -6.390 -7.240 288 HD13 LEU 37 HD23 LEU 37 2.751 -6.519 -5.565 289 HD21 LEU 37 HD11 LEU 37 3.904 -5.642 -9.012 290 HD22 LEU 37 HD12 LEU 37 4.985 -6.928 -8.474 291 HD23 LEU 37 HD13 LEU 37 5.550 -5.258 -8.505 292 H VAL 38 HN VAL 38 2.363 -1.526 -6.274 293 HA VAL 38 HA VAL 38 0.207 -2.414 -4.628 294 HB VAL 38 HB VAL 38 0.209 -0.280 -3.628 295 HG11 VAL 38 HG11 VAL 38 2.177 -1.590 -3.124 296 HG12 VAL 38 HG12 VAL 38 2.588 0.125 -3.165 297 HG13 VAL 38 HG13 VAL 38 3.012 -0.918 -4.523 298 HG21 VAL 38 HG21 VAL 38 0.043 1.086 -5.635 299 HG22 VAL 38 HG22 VAL 38 1.731 0.748 -6.017 300 HG23 VAL 38 HG23 VAL 38 1.322 1.677 -4.575 301 H TYR 39 HN TYR 39 0.391 -0.383 -7.526 302 HA TYR 39 HA TYR 39 -2.367 0.352 -7.428 303 HB2 TYR 39 HB2 TYR 39 -1.807 1.784 -9.059 304 HB3 TYR 39 HB1 TYR 39 -0.154 1.232 -8.833 305 HD1 TYR 39 HD2 TYR 39 0.767 -0.534 -10.330 306 HD2 TYR 39 HD1 TYR 39 -3.009 1.283 -11.046 307 HE1 TYR 39 HE2 TYR 39 0.829 -1.338 -12.654 308 HE2 TYR 39 HE1 TYR 39 -2.961 0.484 -13.372 309 HH TYR 39 HH TYR 39 -0.760 -1.845 -14.469 310 H ALA 40 HN ALA 40 -0.546 -2.265 -8.858 311 HA ALA 40 HA ALA 40 -2.413 -3.217 -10.698 312 HB1 ALA 40 HB1 ALA 40 -0.119 -4.062 -10.560 313 HB2 ALA 40 HB2 ALA 40 -1.291 -5.378 -10.484 314 HB3 ALA 40 HB3 ALA 40 -0.491 -4.823 -9.013 315 H TRP 41 HN TRP 41 -1.966 -4.061 -7.281 316 HA TRP 41 HA TRP 41 -4.165 -5.818 -7.113 317 HB2 TRP 41 HB2 TRP 41 -2.682 -4.232 -5.019 318 HB3 TRP 41 HB1 TRP 41 -4.010 -5.315 -4.616 319 HD1 TRP 41 HD1 TRP 41 -0.337 -5.291 -5.175 320 HE1 TRP 41 HE1 TRP 41 0.579 -7.696 -5.152 321 HE3 TRP 41 HE3 TRP 41 -4.756 -7.850 -5.444 322 HZ2 TRP 41 HZ2 TRP 41 -0.435 -10.329 -5.238 323 HZ3 TRP 41 HZ3 TRP 41 -4.695 -10.309 -5.469 324 HH2 TRP 41 HH2 TRP 41 -2.578 -11.522 -5.369 325 H MET 42 HN MET 42 -3.871 -2.339 -6.690 326 HA MET 42 HA MET 42 -6.359 -1.846 -5.512 327 HB2 MET 42 HB1 MET 42 -4.343 -0.276 -5.858 328 HB3 MET 42 HB2 MET 42 -5.053 0.057 -7.433 329 HG2 MET 42 HG2 MET 42 -5.679 1.725 -5.765 330 HG3 MET 42 HG1 MET 42 -7.078 0.855 -6.391 331 HE1 MET 42 HE1 MET 42 -8.661 1.558 -4.452 332 HE2 MET 42 HE2 MET 42 -7.367 2.576 -3.821 333 HE3 MET 42 HE3 MET 42 -8.229 1.476 -2.745 334 H ARG 43 HN ARG 43 -5.430 -1.795 -8.957 335 HA ARG 43 HA ARG 43 -8.039 -1.150 -9.870 336 HB2 ARG 43 HB2 ARG 43 -7.173 -1.775 -12.108 337 HB3 ARG 43 HB1 ARG 43 -6.136 -0.642 -11.255 338 HG2 ARG 43 HG1 ARG 43 -4.601 -2.101 -12.123 339 HG3 ARG 43 HG2 ARG 43 -4.859 -2.788 -10.519 340 HD2 ARG 43 HD2 ARG 43 -6.426 -4.403 -11.442 341 HD3 ARG 43 HD1 ARG 43 -6.228 -3.698 -13.046 342 HE ARG 43 HE ARG 43 -3.773 -4.609 -11.849 343 HH11 ARG 43 HH11 ARG 43 -6.531 -5.488 -13.790 344 HH12 ARG 43 HH12 ARG 43 -5.728 -6.816 -14.559 345 HH21 ARG 43 HH21 ARG 43 -2.709 -6.356 -12.857 346 HH22 ARG 43 HH22 ARG 43 -3.556 -7.310 -14.028 347 H ARG 44 HN ARG 44 -6.808 -3.988 -8.583 348 HA ARG 44 HA ARG 44 -8.513 -5.759 -10.142 349 HB2 ARG 44 HB1 ARG 44 -6.599 -6.268 -7.861 350 HB3 ARG 44 HB2 ARG 44 -7.580 -7.525 -8.601 351 HG2 ARG 44 HG1 ARG 44 -6.496 -7.124 -10.747 352 HG3 ARG 44 HG2 ARG 44 -5.524 -5.844 -10.020 353 HD2 ARG 44 HD1 ARG 44 -4.226 -7.880 -10.168 354 HD3 ARG 44 HD2 ARG 44 -4.542 -7.488 -8.478 355 HE ARG 44 HE ARG 44 -6.557 -9.202 -9.229 356 HH11 ARG 44 HH11 ARG 44 -3.075 -9.305 -9.106 357 HH12 ARG 44 HH12 ARG 44 -3.008 -11.014 -8.829 358 HH21 ARG 44 HH21 ARG 44 -6.476 -11.451 -8.865 359 HH22 ARG 44 HH22 ARG 44 -4.941 -12.234 -8.693 360 H LEU 45 HN LEU 45 -8.662 -3.900 -7.301 361 HA LEU 45 HA LEU 45 -10.661 -5.514 -5.980 362 HB2 LEU 45 HB2 LEU 45 -10.047 -2.663 -5.302 363 HB3 LEU 45 HB1 LEU 45 -10.618 -3.941 -4.260 364 HG LEU 45 HG LEU 45 -7.846 -3.811 -5.439 365 HD11 LEU 45 HD21 LEU 45 -8.805 -3.206 -2.646 366 HD12 LEU 45 HD22 LEU 45 -8.203 -2.033 -3.816 367 HD13 LEU 45 HD23 LEU 45 -7.122 -3.266 -3.168 368 HD21 LEU 45 HD11 LEU 45 -9.050 -5.655 -3.380 369 HD22 LEU 45 HD12 LEU 45 -7.353 -5.616 -3.860 370 HD23 LEU 45 HD13 LEU 45 -8.588 -6.089 -5.026 371 H CYS 46 HN CYS 46 -10.587 -2.938 -8.276 372 HA CYS 46 HA CYS 46 -13.520 -2.832 -8.195 373 HB2 CYS 46 HB2 CYS 46 -12.659 -0.775 -7.172 374 HB3 CYS 46 HB1 CYS 46 -11.673 -0.468 -8.598 375 HG CYS 46 HG CYS 46 -15.003 -0.060 -8.172 376 H GLU 47 HN GLU 47 -14.513 -2.998 -10.130 377 HA GLU 47 HA GLU 47 -12.909 -3.638 -12.437 378 HB2 GLU 47 HB1 GLU 47 -15.037 -4.135 -13.526 379 HB3 GLU 47 HB2 GLU 47 -14.967 -4.891 -11.939 380 HG2 GLU 47 HG2 GLU 47 -16.354 -3.122 -11.016 381 HG3 GLU 47 HG1 GLU 47 -16.395 -2.322 -12.586 382 H ARG 48 HN ARG 48 -14.408 -0.883 -11.134 383 HA ARG 48 HA ARG 48 -14.176 0.566 -13.688 384 HB2 ARG 48 HB1 ARG 48 -15.738 1.481 -11.275 385 HB3 ARG 48 HB2 ARG 48 -15.849 2.074 -12.926 386 HG2 ARG 48 HG1 ARG 48 -16.901 0.050 -13.652 387 HG3 ARG 48 HG2 ARG 48 -16.635 -0.704 -12.078 388 HD2 ARG 48 HD2 ARG 48 -18.406 1.659 -12.674 389 HD3 ARG 48 HD1 ARG 48 -18.926 0.029 -12.250 390 HE ARG 48 HE ARG 48 -17.482 0.653 -10.115 391 HH11 ARG 48 HH11 ARG 48 -19.845 2.533 -11.852 392 HH12 ARG 48 HH12 ARG 48 -20.351 3.426 -10.457 393 HH21 ARG 48 HH21 ARG 48 -18.140 1.823 -8.272 394 HH22 ARG 48 HH22 ARG 48 -19.381 3.023 -8.422 395 H TYR 49 HN TYR 49 -11.862 0.098 -12.419 396 HA TYR 49 HA TYR 49 -11.247 2.570 -10.949 397 HB2 TYR 49 HB2 TYR 49 -10.940 0.164 -9.909 398 HB3 TYR 49 HB1 TYR 49 -9.460 0.174 -10.863 399 HD1 TYR 49 HD2 TYR 49 -7.961 2.315 -10.564 400 HD2 TYR 49 HD1 TYR 49 -10.890 1.011 -7.773 401 HE1 TYR 49 HE2 TYR 49 -6.831 3.594 -8.792 402 HE2 TYR 49 HE1 TYR 49 -9.772 2.281 -5.991 403 HH TYR 49 HH TYR 49 -7.521 3.185 -5.506 404 H ASN 50 HN ASN 50 -10.743 3.849 -12.713 405 HA ASN 50 HA ASN 50 -8.911 2.939 -14.739 406 HB2 ASN 50 HB2 ASN 50 -9.084 5.571 -15.225 407 HB3 ASN 50 HB1 ASN 50 -10.332 4.430 -15.719 408 HD21 ASN 50 HD21 ASN 50 -12.208 4.225 -14.419 409 HD22 ASN 50 HD22 ASN 50 -12.726 5.527 -13.410 410 H GLY 51 HN GLY 51 -8.432 3.857 -11.632 411 HA2 GLY 51 HA1 GLY 51 -6.045 3.850 -10.972 412 HA3 GLY 51 HA2 GLY 51 -5.782 5.000 -12.272 413 H ALA 52 HN ALA 52 -4.761 5.996 -10.228 414 HA ALA 52 HA ALA 52 -6.273 8.261 -9.515 415 HB1 ALA 52 HB1 ALA 52 -7.470 6.681 -8.076 416 HB2 ALA 52 HB2 ALA 52 -6.585 7.874 -7.127 417 HB3 ALA 52 HB3 ALA 52 -5.950 6.239 -7.299 418 H TYR 53 HN TYR 53 -5.115 9.464 -7.609 419 HA TYR 53 HA TYR 53 -2.285 9.407 -8.248 420 HB2 TYR 53 HB2 TYR 53 -4.104 11.349 -6.874 421 HB3 TYR 53 HB1 TYR 53 -2.366 11.464 -6.625 422 HD1 TYR 53 HD1 TYR 53 -1.027 11.192 -8.994 423 HD2 TYR 53 HD2 TYR 53 -4.947 12.762 -8.483 424 HE1 TYR 53 HE1 TYR 53 -0.795 12.440 -11.102 425 HE2 TYR 53 HE2 TYR 53 -4.729 14.012 -10.590 426 HH TYR 53 HH TYR 53 -2.958 14.891 -12.035 427 H TRP 54 HN TRP 54 -1.387 7.698 -7.212 428 HA TRP 54 HA TRP 54 -1.929 7.058 -4.484 429 HB2 TRP 54 HB1 TRP 54 0.557 6.104 -5.836 430 HB3 TRP 54 HB2 TRP 54 -0.559 5.228 -4.793 431 HD1 TRP 54 HD1 TRP 54 -3.150 4.930 -6.102 432 HE1 TRP 54 HE1 TRP 54 -3.518 4.047 -8.490 433 HE3 TRP 54 HE3 TRP 54 1.511 5.798 -8.015 434 HZ2 TRP 54 HZ2 TRP 54 -2.030 3.756 -10.871 435 HZ3 TRP 54 HZ3 TRP 54 1.957 5.187 -10.357 436 HH2 TRP 54 HH2 TRP 54 0.221 4.187 -11.754 437 H HIS 55 HN HIS 55 -1.524 9.187 -3.579 438 HA HIS 55 HA HIS 55 0.848 10.574 -3.564 439 HB2 HIS 55 HB2 HIS 55 -1.020 10.200 -1.213 440 HB3 HIS 55 HB1 HIS 55 0.166 11.488 -1.389 441 HD1 HIS 55 HD1 HIS 55 -0.419 13.435 -2.959 442 HD2 HIS 55 HD2 HIS 55 -3.345 10.492 -2.760 443 HE1 HIS 55 HE1 HIS 55 -2.451 14.435 -4.052 444 HE2 HIS 55 HE2 HIS 55 -4.182 12.605 -3.998 445 H TYR 56 HN TYR 56 2.832 10.207 -2.837 446 HA TYR 56 HA TYR 56 3.471 7.734 -1.550 447 HB2 TYR 56 HB1 TYR 56 5.194 10.155 -2.131 448 HB3 TYR 56 HB2 TYR 56 5.798 8.599 -1.575 449 HD1 TYR 56 HD2 TYR 56 3.587 7.151 -3.410 450 HD2 TYR 56 HD1 TYR 56 6.702 9.974 -4.087 451 HE1 TYR 56 HE2 TYR 56 3.764 6.390 -5.741 452 HE2 TYR 56 HE1 TYR 56 6.882 9.220 -6.419 453 HH TYR 56 HH TYR 56 6.359 7.243 -7.762 454 H TYR 57 HN TYR 57 3.782 7.312 0.568 455 HA TYR 57 HA TYR 57 3.660 9.606 2.417 456 HB2 TYR 57 HB1 TYR 57 2.332 6.925 2.545 457 HB3 TYR 57 HB2 TYR 57 2.698 7.796 4.030 458 HD1 TYR 57 HD1 TYR 57 0.672 7.790 0.970 459 HD2 TYR 57 HD2 TYR 57 1.514 9.812 4.616 460 HE1 TYR 57 HE1 TYR 57 -1.387 9.110 0.708 461 HE2 TYR 57 HE2 TYR 57 -0.539 11.136 4.365 462 HH TYR 57 HH TYR 57 -2.053 11.867 2.563 463 H ALA 58 HN ALA 58 5.068 9.719 4.061 464 HA ALA 58 HA ALA 58 7.205 7.705 4.114 465 HB1 ALA 58 HB1 ALA 58 7.903 9.984 3.554 466 HB2 ALA 58 HB2 ALA 58 8.613 9.444 5.075 467 HB3 ALA 58 HB3 ALA 58 7.246 10.559 5.085 468 H LEU 59 HN LEU 59 6.485 6.211 5.569 469 HA LEU 59 HA LEU 59 5.234 6.902 8.037 470 HB2 LEU 59 HB2 LEU 59 6.216 4.414 6.745 471 HB3 LEU 59 HB1 LEU 59 6.007 4.386 8.486 472 HG LEU 59 HG LEU 59 3.800 5.262 6.636 473 HD11 LEU 59 HD21 LEU 59 4.455 3.036 5.938 474 HD12 LEU 59 HD22 LEU 59 2.909 2.987 6.783 475 HD13 LEU 59 HD23 LEU 59 4.380 2.469 7.606 476 HD21 LEU 59 HD11 LEU 59 3.808 4.171 9.445 477 HD22 LEU 59 HD12 LEU 59 2.382 4.644 8.521 478 HD23 LEU 59 HD13 LEU 59 3.574 5.858 8.988 479 H SER 60 HN SER 60 6.082 6.655 10.155 480 HA SER 60 HA SER 60 8.643 7.767 10.514 481 HB2 SER 60 HB1 SER 60 8.281 7.374 12.906 482 HB3 SER 60 HB2 SER 60 6.820 8.018 12.156 483 HG SER 60 HG SER 60 6.953 5.284 12.125 484 H ASP 61 HN ASP 61 7.548 4.484 10.279 485 HA ASP 61 HA ASP 61 9.954 3.355 11.410 486 HB2 ASP 61 HB1 ASP 61 8.980 1.201 10.842 487 HB3 ASP 61 HB2 ASP 61 7.762 2.215 11.611 488 H GLY 62 HN GLY 62 8.717 4.186 8.262 489 HA2 GLY 62 HA2 GLY 62 10.274 4.638 6.477 490 HA3 GLY 62 HA1 GLY 62 11.290 3.346 7.100 491 H GLY 63 HN GLY 63 7.961 2.638 7.094 492 HA2 GLY 63 HA2 GLY 63 8.305 0.513 5.223 493 HA3 GLY 63 HA1 GLY 63 6.791 1.006 5.968 494 H PHE 64 HN PHE 64 6.723 3.673 5.066 495 HA PHE 64 HA PHE 64 6.004 4.936 3.319 496 HB2 PHE 64 HB2 PHE 64 8.218 4.682 2.405 497 HB3 PHE 64 HB1 PHE 64 7.834 3.081 1.785 498 HD1 PHE 64 HD2 PHE 64 6.381 2.826 -0.176 499 HD2 PHE 64 HD1 PHE 64 7.586 6.655 1.237 500 HE1 PHE 64 HE2 PHE 64 5.716 3.824 -2.325 501 HE2 PHE 64 HE1 PHE 64 6.926 7.658 -0.908 502 HZ PHE 64 HZ PHE 64 5.990 6.243 -2.693 503 H TYR 65 HN TYR 65 3.921 4.792 2.855 504 HA TYR 65 HA TYR 65 3.007 2.452 1.324 505 HB2 TYR 65 HB2 TYR 65 1.214 2.076 2.674 506 HB3 TYR 65 HB1 TYR 65 2.278 2.793 3.873 507 HD1 TYR 65 HD1 TYR 65 1.877 5.066 4.700 508 HD2 TYR 65 HD2 TYR 65 -0.742 3.237 1.886 509 HE1 TYR 65 HE1 TYR 65 0.173 6.770 5.186 510 HE2 TYR 65 HE2 TYR 65 -2.449 4.941 2.363 511 HH TYR 65 HH TYR 65 -1.788 7.780 4.085 512 H MET 66 HN MET 66 1.514 2.804 -0.284 513 HA MET 66 HA MET 66 1.221 5.615 -1.111 514 HB2 MET 66 HB1 MET 66 1.048 3.084 -2.755 515 HB3 MET 66 HB2 MET 66 0.883 4.718 -3.379 516 HG2 MET 66 HG2 MET 66 3.138 5.213 -3.004 517 HG3 MET 66 HG1 MET 66 3.352 3.827 -1.937 518 HE1 MET 66 HE1 MET 66 2.760 4.926 -5.721 519 HE2 MET 66 HE2 MET 66 1.414 3.863 -5.311 520 HE3 MET 66 HE3 MET 66 2.633 3.334 -6.470 521 H ALA 67 HN ALA 67 -0.712 6.528 -1.203 522 HA ALA 67 HA ALA 67 -3.093 4.790 -1.129 523 HB1 ALA 67 HB1 ALA 67 -4.204 6.480 0.261 524 HB2 ALA 67 HB2 ALA 67 -2.709 7.415 0.303 525 HB3 ALA 67 HB3 ALA 67 -2.771 5.817 1.046 526 HA PRO 68 HA PRO 68 -4.159 6.988 -4.852 527 HB2 PRO 68 HB2 PRO 68 -6.741 6.142 -5.033 528 HB3 PRO 68 HB1 PRO 68 -5.360 5.133 -5.478 529 HG2 PRO 68 HG2 PRO 68 -6.962 5.149 -2.949 530 HG3 PRO 68 HG1 PRO 68 -6.361 3.767 -3.886 531 HD2 PRO 68 HD2 PRO 68 -5.132 4.637 -1.642 532 HD3 PRO 68 HD1 PRO 68 -4.235 3.932 -3.002 533 H ASP 69 HN ASP 69 -5.573 8.692 -5.541 534 HA ASP 69 HA ASP 69 -6.623 10.240 -3.284 535 HB2 ASP 69 HB2 ASP 69 -4.879 11.275 -4.732 536 HB3 ASP 69 HB1 ASP 69 -5.992 11.167 -6.093 537 H LEU 70 HN LEU 70 -8.645 9.168 -3.107 538 HA LEU 70 HA LEU 70 -10.592 10.111 -5.068 539 HB2 LEU 70 HB1 LEU 70 -10.446 7.230 -4.172 540 HB3 LEU 70 HB2 LEU 70 -11.708 7.928 -5.164 541 HG LEU 70 HG LEU 70 -8.815 7.813 -6.007 542 HD11 LEU 70 HD21 LEU 70 -9.660 5.551 -5.685 543 HD12 LEU 70 HD22 LEU 70 -9.446 5.911 -7.399 544 HD13 LEU 70 HD23 LEU 70 -11.060 5.923 -6.691 545 HD21 LEU 70 HD11 LEU 70 -9.732 8.223 -8.232 546 HD22 LEU 70 HD12 LEU 70 -10.150 9.524 -7.117 547 HD23 LEU 70 HD13 LEU 70 -11.356 8.313 -7.550 548 H ALA 71 HN ALA 71 -11.657 11.444 -3.713 549 HA ALA 71 HA ALA 71 -12.241 10.666 -0.990 550 HB1 ALA 71 HB1 ALA 71 -11.616 12.974 -1.513 551 HB2 ALA 71 HB2 ALA 71 -13.215 12.884 -0.773 552 HB3 ALA 71 HB3 ALA 71 -13.060 13.137 -2.512 553 H GLY 72 HN GLY 72 -14.226 10.219 -0.120 554 HA2 GLY 72 HA2 GLY 72 -16.632 10.164 -0.227 555 HA3 GLY 72 HA1 GLY 72 -16.507 10.043 -1.975 556 H ARG 73 HN ARG 73 -18.152 8.302 -1.006 557 HA ARG 73 HA ARG 73 -16.892 5.854 -0.195 558 HB2 ARG 73 HB1 ARG 73 -19.759 6.356 -1.008 559 HB3 ARG 73 HB2 ARG 73 -19.146 4.948 -0.152 560 HG2 ARG 73 HG1 ARG 73 -18.614 6.296 1.775 561 HG3 ARG 73 HG2 ARG 73 -19.089 7.763 0.914 562 HD2 ARG 73 HD2 ARG 73 -20.902 5.456 1.607 563 HD3 ARG 73 HD1 ARG 73 -20.841 7.006 2.444 564 HE ARG 73 HE ARG 73 -21.335 7.669 -0.150 565 HH11 ARG 73 HH11 ARG 73 -22.863 5.565 2.170 566 HH12 ARG 73 HH12 ARG 73 -24.450 5.777 1.509 567 HH21 ARG 73 HH21 ARG 73 -23.422 7.954 -1.026 568 HH22 ARG 73 HH22 ARG 73 -24.768 7.133 -0.307 569 H LEU 74 HN LEU 74 -16.074 4.433 -1.513 570 HA LEU 74 HA LEU 74 -17.125 4.216 -4.249 571 HB2 LEU 74 HB1 LEU 74 -14.839 3.807 -5.075 572 HB3 LEU 74 HB2 LEU 74 -15.057 5.423 -4.434 573 HG LEU 74 HG LEU 74 -13.882 3.271 -2.709 574 HD11 LEU 74 HD11 LEU 74 -12.594 3.240 -4.785 575 HD12 LEU 74 HD12 LEU 74 -11.656 3.930 -3.460 576 HD13 LEU 74 HD13 LEU 74 -12.372 4.987 -4.677 577 HD21 LEU 74 HD21 LEU 74 -12.775 5.197 -1.668 578 HD22 LEU 74 HD22 LEU 74 -14.531 5.364 -1.654 579 HD23 LEU 74 HD23 LEU 74 -13.569 6.269 -2.822 580 H GLU 75 HN GLU 75 -17.784 2.241 -4.722 581 HA GLU 75 HA GLU 75 -17.504 0.088 -2.912 582 HB2 GLU 75 HB1 GLU 75 -18.574 -1.256 -4.743 583 HB3 GLU 75 HB2 GLU 75 -19.468 0.179 -4.261 584 HG2 GLU 75 HG1 GLU 75 -18.591 1.375 -6.205 585 HG3 GLU 75 HG2 GLU 75 -17.712 -0.074 -6.692 586 H ILE 76 HN ILE 76 -15.722 -1.002 -2.567 587 HA ILE 76 HA ILE 76 -14.044 -1.761 -4.868 588 HB ILE 76 HB ILE 76 -13.280 -0.588 -2.244 589 HG12 ILE 76 HG12 ILE 76 -13.189 0.438 -4.654 590 HG13 ILE 76 HG11 ILE 76 -11.883 0.754 -3.517 591 HG21 ILE 76 HG21 ILE 76 -10.981 -1.577 -2.477 592 HG22 ILE 76 HG22 ILE 76 -11.677 -2.724 -3.621 593 HG23 ILE 76 HG23 ILE 76 -12.239 -2.696 -1.952 594 HD11 ILE 76 HD11 ILE 76 -11.826 -1.369 -5.648 595 HD12 ILE 76 HD12 ILE 76 -10.500 -0.894 -4.586 596 HD13 ILE 76 HD13 ILE 76 -11.109 0.236 -5.796 597 H GLU 77 HN GLU 77 -14.394 -3.873 -5.195 598 HA GLU 77 HA GLU 77 -15.062 -5.632 -3.015 599 HB2 GLU 77 HB1 GLU 77 -15.217 -7.391 -4.719 600 HB3 GLU 77 HB2 GLU 77 -16.145 -5.969 -5.169 601 HG2 GLU 77 HG2 GLU 77 -14.387 -5.286 -6.701 602 HG3 GLU 77 HG1 GLU 77 -13.425 -6.688 -6.233 603 H VAL 78 HN VAL 78 -13.608 -6.387 -1.708 604 HA VAL 78 HA VAL 78 -10.819 -6.468 -2.369 605 HB VAL 78 HB VAL 78 -12.185 -7.535 0.100 606 HG11 VAL 78 HG11 VAL 78 -9.371 -6.609 -0.403 607 HG12 VAL 78 HG12 VAL 78 -9.900 -8.275 -0.174 608 HG13 VAL 78 HG13 VAL 78 -10.023 -7.120 1.152 609 HG21 VAL 78 HG21 VAL 78 -11.133 -4.757 -0.432 610 HG22 VAL 78 HG22 VAL 78 -11.725 -5.354 1.118 611 HG23 VAL 78 HG23 VAL 78 -12.828 -5.210 -0.251 612 H ASN 79 HN ASN 79 -10.601 -8.038 -4.016 613 HA ASN 79 HA ASN 79 -11.681 -10.634 -3.875 614 HB2 ASN 79 HB1 ASN 79 -10.178 -11.182 -5.684 615 HB3 ASN 79 HB2 ASN 79 -10.789 -9.550 -5.945 616 HD21 ASN 79 HD21 ASN 79 -9.408 -7.781 -5.560 617 HD22 ASN 79 HD22 ASN 79 -7.691 -7.970 -5.574 618 H GLY 80 HN GLY 80 -8.762 -9.210 -2.597 619 HA2 GLY 80 HA2 GLY 80 -7.109 -11.270 -2.037 620 HA3 GLY 80 HA1 GLY 80 -7.392 -9.965 -0.897 621 H ASN 81 HN ASN 81 -10.213 -10.722 -0.503 622 HA ASN 81 HA ASN 81 -10.075 -13.381 0.641 623 HB2 ASN 81 HB1 ASN 81 -10.456 -12.773 2.882 624 HB3 ASN 81 HB2 ASN 81 -9.153 -11.720 2.347 625 HD21 ASN 81 HD21 ASN 81 -9.574 -9.532 1.999 626 HD22 ASN 81 HD22 ASN 81 -10.970 -8.761 2.661 627 H GLY 82 HN GLY 82 -11.676 -11.520 -1.287 628 HA2 GLY 82 HA2 GLY 82 -13.830 -11.509 -2.057 629 HA3 GLY 82 HA1 GLY 82 -14.149 -12.839 -0.956 630 H PHE 83 HN PHE 83 -12.951 -9.867 0.361 631 HA PHE 83 HA PHE 83 -15.455 -9.524 1.782 632 HB2 PHE 83 HB2 PHE 83 -13.444 -9.326 3.096 633 HB3 PHE 83 HB1 PHE 83 -12.798 -8.101 2.008 634 HD1 PHE 83 HD1 PHE 83 -15.906 -8.658 4.006 635 HD2 PHE 83 HD2 PHE 83 -12.866 -5.948 2.771 636 HE1 PHE 83 HE1 PHE 83 -16.923 -6.895 5.386 637 HE2 PHE 83 HE2 PHE 83 -13.877 -4.179 4.152 638 HZ PHE 83 HZ PHE 83 -15.909 -4.651 5.461 639 H ARG 84 HN ARG 84 -16.923 -8.734 0.321 640 HA ARG 84 HA ARG 84 -16.316 -6.476 -1.354 641 HB2 ARG 84 HB2 ARG 84 -17.941 -8.252 -2.002 642 HB3 ARG 84 HB1 ARG 84 -19.002 -7.710 -0.709 643 HG2 ARG 84 HG2 ARG 84 -19.146 -5.500 -1.795 644 HG3 ARG 84 HG1 ARG 84 -18.158 -6.118 -3.121 645 HD2 ARG 84 HD2 ARG 84 -20.875 -7.111 -2.273 646 HD3 ARG 84 HD1 ARG 84 -20.490 -6.208 -3.738 647 HE ARG 84 HE ARG 84 -19.016 -8.650 -3.533 648 HH11 ARG 84 HH11 ARG 84 -22.075 -7.267 -4.465 649 HH12 ARG 84 HH12 ARG 84 -22.460 -8.542 -5.572 650 HH21 ARG 84 HH21 ARG 84 -19.515 -10.333 -4.986 651 HH22 ARG 84 HH22 ARG 84 -21.005 -10.285 -5.867 652 H GLY 85 HN GLY 85 -16.013 -4.545 -0.408 653 HA2 GLY 85 HA1 GLY 85 -18.166 -3.405 1.138 654 HA3 GLY 85 HA2 GLY 85 -16.720 -3.703 2.087 655 H GLU 86 HN GLU 86 -18.287 -1.288 0.825 656 HA GLU 86 HA GLU 86 -16.468 0.081 -0.833 657 HB2 GLU 86 HB1 GLU 86 -18.506 1.267 1.064 658 HB3 GLU 86 HB2 GLU 86 -17.770 2.079 -0.311 659 HG2 GLU 86 HG1 GLU 86 -18.850 0.510 -1.829 660 HG3 GLU 86 HG2 GLU 86 -19.571 -0.329 -0.458 661 H LEU 87 HN LEU 87 -14.800 1.484 -0.384 662 HA LEU 87 HA LEU 87 -14.241 2.244 2.357 663 HB2 LEU 87 HB1 LEU 87 -13.259 -0.087 1.897 664 HB3 LEU 87 HB2 LEU 87 -12.114 0.741 0.862 665 HG LEU 87 HG LEU 87 -11.313 2.048 2.779 666 HD11 LEU 87 HD11 LEU 87 -13.224 0.366 4.394 667 HD12 LEU 87 HD12 LEU 87 -13.394 2.090 4.065 668 HD13 LEU 87 HD13 LEU 87 -12.042 1.507 5.037 669 HD21 LEU 87 HD21 LEU 87 -10.200 -0.040 2.242 670 HD22 LEU 87 HD22 LEU 87 -11.349 -0.931 3.239 671 HD23 LEU 87 HD23 LEU 87 -10.228 0.207 3.988 672 H SER 88 HN SER 88 -13.035 4.071 2.517 673 HA SER 88 HA SER 88 -12.828 5.761 0.285 674 HB2 SER 88 HB2 SER 88 -11.461 5.971 2.979 675 HB3 SER 88 HB1 SER 88 -11.580 7.273 1.796 676 HG SER 88 HG SER 88 -13.825 7.223 2.036 677 H ALA 89 HN ALA 89 -10.855 6.765 -0.556 678 HA ALA 89 HA ALA 89 -9.065 4.865 -1.576 679 HB1 ALA 89 HB1 ALA 89 -8.632 7.841 -1.432 680 HB2 ALA 89 HB2 ALA 89 -9.621 7.031 -2.645 681 HB3 ALA 89 HB3 ALA 89 -7.891 6.709 -2.562 682 H ASP 90 HN ASP 90 -9.056 6.551 1.406 683 HA ASP 90 HA ASP 90 -6.224 6.427 1.848 684 HB2 ASP 90 HB1 ASP 90 -7.569 8.156 2.937 685 HB3 ASP 90 HB2 ASP 90 -8.506 6.922 3.774 686 H ALA 91 HN ALA 91 -8.987 4.804 3.425 687 HA ALA 91 HA ALA 91 -7.371 2.890 4.752 688 HB1 ALA 91 HB1 ALA 91 -9.592 3.530 5.558 689 HB2 ALA 91 HB2 ALA 91 -9.466 1.787 5.322 690 HB3 ALA 91 HB3 ALA 91 -10.323 2.777 4.140 691 H ALA 92 HN ALA 92 -8.565 3.101 1.557 692 HA ALA 92 HA ALA 92 -8.421 0.252 1.031 693 HB1 ALA 92 HB1 ALA 92 -9.012 0.857 -1.269 694 HB2 ALA 92 HB2 ALA 92 -8.870 2.565 -0.856 695 HB3 ALA 92 HB3 ALA 92 -10.125 1.579 -0.107 696 H GLY 93 HN GLY 93 -6.554 3.171 0.444 697 HA2 GLY 93 HA2 GLY 93 -4.640 2.083 -1.305 698 HA3 GLY 93 HA1 GLY 93 -4.390 3.475 -0.258 699 H ILE 94 HN ILE 94 -5.203 1.565 2.022 700 HA ILE 94 HA ILE 94 -2.530 0.872 2.776 701 HB ILE 94 HB ILE 94 -4.917 -0.263 4.177 702 HG12 ILE 94 HG11 ILE 94 -5.581 2.039 3.712 703 HG13 ILE 94 HG12 ILE 94 -5.205 1.849 5.420 704 HG21 ILE 94 HG21 ILE 94 -2.300 0.888 5.131 705 HG22 ILE 94 HG22 ILE 94 -2.705 -0.823 4.992 706 HG23 ILE 94 HG23 ILE 94 -3.550 0.191 6.163 707 HD11 ILE 94 HD11 ILE 94 -3.096 2.946 5.136 708 HD12 ILE 94 HD12 ILE 94 -4.369 3.952 4.439 709 HD13 ILE 94 HD13 ILE 94 -3.318 3.003 3.387 710 H VAL 95 HN VAL 95 -5.347 -0.869 1.612 711 HA VAL 95 HA VAL 95 -4.196 -3.473 1.926 712 HB VAL 95 HB VAL 95 -6.588 -2.637 0.281 713 HG11 VAL 95 HG11 VAL 95 -7.280 -4.981 0.536 714 HG12 VAL 95 HG12 VAL 95 -5.753 -5.330 1.349 715 HG13 VAL 95 HG13 VAL 95 -5.758 -4.827 -0.342 716 HG21 VAL 95 HG21 VAL 95 -6.448 -3.601 3.135 717 HG22 VAL 95 HG22 VAL 95 -7.926 -3.308 2.219 718 HG23 VAL 95 HG23 VAL 95 -6.848 -1.967 2.606 719 H ALA 96 HN ALA 96 -4.230 -1.042 -0.563 720 HA ALA 96 HA ALA 96 -3.599 -2.769 -2.742 721 HB1 ALA 96 HB1 ALA 96 -3.171 0.203 -2.469 722 HB2 ALA 96 HB2 ALA 96 -4.633 -0.577 -3.072 723 HB3 ALA 96 HB3 ALA 96 -3.121 -0.721 -3.969 724 H THR 97 HN THR 97 -1.658 -0.666 -0.638 725 HA THR 97 HA THR 97 0.806 -1.323 -1.929 726 HB THR 97 HB THR 97 0.691 0.798 -0.844 727 HG1 THR 97 HG1 THR 97 2.733 -0.136 -0.677 728 HG21 THR 97 HG21 THR 97 -1.039 0.191 0.825 729 HG22 THR 97 HG22 THR 97 0.306 1.093 1.523 730 HG23 THR 97 HG23 THR 97 0.197 -0.652 1.757 731 H LEU 98 HN LEU 98 -0.766 -2.358 1.090 732 HA LEU 98 HA LEU 98 1.269 -3.906 2.148 733 HB2 LEU 98 HB2 LEU 98 -1.715 -4.126 2.283 734 HB3 LEU 98 HB1 LEU 98 -0.703 -5.331 3.055 735 HG LEU 98 HG LEU 98 -0.600 -2.372 3.653 736 HD11 LEU 98 HD11 LEU 98 -1.710 -2.967 5.755 737 HD12 LEU 98 HD12 LEU 98 -1.884 -4.628 5.188 738 HD13 LEU 98 HD13 LEU 98 -2.725 -3.319 4.356 739 HD21 LEU 98 HD21 LEU 98 0.726 -3.084 5.595 740 HD22 LEU 98 HD22 LEU 98 1.513 -3.489 4.071 741 HD23 LEU 98 HD23 LEU 98 0.690 -4.743 5.000 742 H PHE 99 HN PHE 99 -1.360 -5.037 0.012 743 HA PHE 99 HA PHE 99 -0.546 -7.681 -0.217 744 HB2 PHE 99 HB2 PHE 99 -2.235 -5.853 -1.821 745 HB3 PHE 99 HB1 PHE 99 -1.644 -7.291 -2.648 746 HD1 PHE 99 HD1 PHE 99 -2.304 -9.513 -1.905 747 HD2 PHE 99 HD2 PHE 99 -3.857 -6.006 -0.059 748 HE1 PHE 99 HE1 PHE 99 -4.094 -10.852 -0.878 749 HE2 PHE 99 HE2 PHE 99 -5.649 -7.340 0.971 750 HZ PHE 99 HZ PHE 99 -5.769 -9.765 0.563 751 H ALA 100 HN ALA 100 0.677 -4.830 -1.814 752 HA ALA 100 HA ALA 100 2.069 -6.113 -3.910 753 HB1 ALA 100 HB1 ALA 100 3.291 -4.018 -4.136 754 HB2 ALA 100 HB2 ALA 100 2.675 -3.479 -2.574 755 HB3 ALA 100 HB3 ALA 100 1.565 -3.722 -3.924 756 H LEU 101 HN LEU 101 3.019 -5.189 -0.634 757 HA LEU 101 HA LEU 101 5.743 -5.793 -0.808 758 HB2 LEU 101 HB2 LEU 101 3.872 -5.930 1.553 759 HB3 LEU 101 HB1 LEU 101 5.616 -6.051 1.674 760 HG LEU 101 HG LEU 101 4.137 -3.648 0.594 761 HD11 LEU 101 HD11 LEU 101 4.744 -2.570 2.701 762 HD12 LEU 101 HD12 LEU 101 5.426 -4.088 3.284 763 HD13 LEU 101 HD13 LEU 101 3.695 -3.963 2.971 764 HD21 LEU 101 HD21 LEU 101 6.298 -2.535 0.771 765 HD22 LEU 101 HD22 LEU 101 6.388 -3.918 -0.320 766 HD23 LEU 101 HD23 LEU 101 7.039 -4.040 1.314 767 H GLY 102 HN GLY 102 3.000 -7.850 0.107 768 HA2 GLY 102 HA2 GLY 102 4.507 -10.112 0.839 769 HA3 GLY 102 HA1 GLY 102 2.818 -10.122 0.363 770 H GLN 103 HN GLN 103 3.272 -9.089 -2.309 771 HA GLN 103 HA GLN 103 3.954 -11.595 -3.554 772 HB2 GLN 103 HB1 GLN 103 2.071 -10.246 -4.372 773 HB3 GLN 103 HB2 GLN 103 3.183 -8.956 -4.807 774 HG2 GLN 103 HG2 GLN 103 4.172 -10.254 -6.516 775 HG3 GLN 103 HG1 GLN 103 3.380 -11.724 -5.951 776 HE21 GLN 103 HE21 GLN 103 1.745 -8.654 -6.132 777 HE22 GLN 103 HE22 GLN 103 0.699 -9.064 -7.445 778 H LEU 104 HN LEU 104 5.263 -8.286 -3.680 779 HA LEU 104 HA LEU 104 7.350 -8.755 -5.451 780 HB2 LEU 104 HB2 LEU 104 6.483 -6.552 -4.541 781 HB3 LEU 104 HB1 LEU 104 7.453 -6.860 -3.115 782 HG LEU 104 HG LEU 104 9.470 -6.935 -4.552 783 HD11 LEU 104 HD11 LEU 104 7.581 -5.998 -6.702 784 HD12 LEU 104 HD12 LEU 104 8.379 -7.569 -6.642 785 HD13 LEU 104 HD13 LEU 104 9.337 -6.102 -6.837 786 HD21 LEU 104 HD21 LEU 104 9.588 -4.522 -4.936 787 HD22 LEU 104 HD22 LEU 104 8.862 -4.896 -3.373 788 HD23 LEU 104 HD23 LEU 104 7.840 -4.408 -4.725 789 H ALA 105 HN ALA 105 6.979 -9.610 -2.137 790 HA ALA 105 HA ALA 105 9.772 -9.995 -1.581 791 HB1 ALA 105 HB1 ALA 105 7.352 -10.993 -0.082 792 HB2 ALA 105 HB2 ALA 105 8.191 -9.470 0.208 793 HB3 ALA 105 HB3 ALA 105 9.014 -11.000 0.508 794 H ALA 106 HN ALA 106 7.095 -12.005 -2.642 795 HA ALA 106 HA ALA 106 8.722 -14.418 -2.526 796 HB1 ALA 106 HB1 ALA 106 6.382 -14.524 -1.821 797 HB2 ALA 106 HB2 ALA 106 6.692 -15.580 -3.199 798 HB3 ALA 106 HB3 ALA 106 5.876 -14.035 -3.437 799 H GLU 107 HN GLU 107 8.286 -11.915 -4.663 800 HA GLU 107 HA GLU 107 8.499 -13.560 -7.065 801 HB2 GLU 107 HB2 GLU 107 6.953 -11.646 -7.082 802 HB3 GLU 107 HB1 GLU 107 8.298 -10.559 -6.767 803 HG2 GLU 107 HG2 GLU 107 7.688 -10.512 -9.106 804 HG3 GLU 107 HG1 GLU 107 9.306 -11.180 -8.900 805 H ILE 108 HN ILE 108 10.343 -11.093 -5.295 806 HA ILE 108 HA ILE 108 12.520 -11.047 -7.116 807 HB ILE 108 HB ILE 108 13.771 -9.906 -5.314 808 HG12 ILE 108 HG11 ILE 108 11.250 -10.253 -3.677 809 HG13 ILE 108 HG12 ILE 108 12.722 -11.188 -3.432 810 HG21 ILE 108 HG21 ILE 108 10.963 -8.892 -5.738 811 HG22 ILE 108 HG22 ILE 108 12.334 -8.639 -6.818 812 HG23 ILE 108 HG23 ILE 108 12.338 -7.926 -5.205 813 HD11 ILE 108 HD11 ILE 108 12.448 -8.207 -3.137 814 HD12 ILE 108 HD12 ILE 108 13.936 -9.129 -2.919 815 HD13 ILE 108 HD13 ILE 108 12.573 -9.385 -1.830 816 H ALA 109 HN ALA 109 11.980 -12.764 -4.053 817 HA ALA 109 HA ALA 109 13.600 -14.956 -4.829 818 HB1 ALA 109 HB1 ALA 109 15.409 -13.359 -4.389 819 HB2 ALA 109 HB2 ALA 109 15.435 -14.706 -3.251 820 HB3 ALA 109 HB3 ALA 109 14.807 -13.137 -2.746 821 H ASP 110 HN ASP 110 14.352 -15.980 -2.392 822 HA ASP 110 HA ASP 110 12.148 -15.806 -0.532 823 HB2 ASP 110 HB2 ASP 110 11.548 -18.190 -0.687 824 HB3 ASP 110 HB1 ASP 110 11.225 -17.343 -2.198 825 H THR 111 HN THR 111 15.276 -15.899 -0.997 826 HA THR 111 HA THR 111 15.839 -17.598 1.344 827 HB THR 111 HB THR 111 18.176 -17.735 0.513 828 HG1 THR 111 HG1 THR 111 17.727 -17.091 -2.050 829 HG21 THR 111 HG21 THR 111 17.721 -19.293 -1.328 830 HG22 THR 111 HG22 THR 111 16.074 -18.674 -1.441 831 HG23 THR 111 HG23 THR 111 16.597 -19.529 0.009 832 H ASP 112 HN ASP 112 17.392 -14.844 -0.322 833 HA ASP 112 HA ASP 112 18.047 -13.720 2.305 834 HB2 ASP 112 HB1 ASP 112 19.114 -13.026 -0.441 835 HB3 ASP 112 HB2 ASP 112 19.646 -12.296 1.071 836 H ALA 113 HN ALA 113 17.049 -12.480 -0.892 837 HA ALA 113 HA ALA 113 15.849 -10.159 0.383 838 HB1 ALA 113 HB1 ALA 113 17.205 -9.841 -1.630 839 HB2 ALA 113 HB2 ALA 113 15.542 -9.311 -1.879 840 HB3 ALA 113 HB3 ALA 113 16.084 -10.852 -2.543 841 H ALA 114 HN ALA 114 14.101 -11.157 1.459 842 HA ALA 114 HA ALA 114 11.675 -11.172 0.047 843 HB1 ALA 114 HB1 ALA 114 11.068 -13.524 0.124 844 HB2 ALA 114 HB2 ALA 114 12.655 -13.929 0.779 845 HB3 ALA 114 HB3 ALA 114 12.513 -13.292 -0.860 846 H ASP 115 HN ASP 115 13.539 -11.374 2.800 847 HA ASP 115 HA ASP 115 11.150 -11.479 4.511 848 HB2 ASP 115 HB2 ASP 115 12.445 -12.565 6.240 849 HB3 ASP 115 HB1 ASP 115 12.596 -13.494 4.751 850 H ALA 116 HN ALA 116 13.712 -9.624 3.394 851 HA ALA 116 HA ALA 116 14.109 -8.093 5.819 852 HB1 ALA 116 HB1 ALA 116 15.978 -8.445 4.276 853 HB2 ALA 116 HB2 ALA 116 15.612 -6.729 4.459 854 HB3 ALA 116 HB3 ALA 116 15.095 -7.592 3.010 855 H LEU 117 HN LEU 117 12.764 -7.523 2.578 856 HA LEU 117 HA LEU 117 11.770 -4.944 3.083 857 HB2 LEU 117 HB2 LEU 117 10.608 -5.149 1.047 858 HB3 LEU 117 HB1 LEU 117 12.059 -6.111 0.840 859 HG LEU 117 HG LEU 117 10.382 -8.027 1.711 860 HD11 LEU 117 HD21 LEU 117 8.637 -6.159 0.115 861 HD12 LEU 117 HD22 LEU 117 8.505 -6.428 1.854 862 HD13 LEU 117 HD23 LEU 117 8.201 -7.755 0.730 863 HD21 LEU 117 HD11 LEU 117 11.643 -8.374 -0.223 864 HD22 LEU 117 HD12 LEU 117 10.908 -7.003 -1.057 865 HD23 LEU 117 HD13 LEU 117 9.967 -8.465 -0.765 866 H ILE 118 HN ILE 118 10.619 -8.119 3.819 867 HA ILE 118 HA ILE 118 7.914 -7.752 4.183 868 HB ILE 118 HB ILE 118 9.900 -9.474 5.649 869 HG12 ILE 118 HG12 ILE 118 9.387 -10.061 3.329 870 HG13 ILE 118 HG11 ILE 118 8.763 -11.282 4.433 871 HG21 ILE 118 HG21 ILE 118 8.098 -8.923 7.225 872 HG22 ILE 118 HG22 ILE 118 8.070 -10.625 6.756 873 HG23 ILE 118 HG23 ILE 118 6.910 -9.496 6.053 874 HD11 ILE 118 HD11 ILE 118 6.526 -10.347 4.213 875 HD12 ILE 118 HD12 ILE 118 7.190 -10.810 2.646 876 HD13 ILE 118 HD13 ILE 118 7.147 -9.111 3.120 877 H ASP 119 HN ASP 119 10.575 -6.599 6.080 878 HA ASP 119 HA ASP 119 9.407 -6.073 8.524 879 HB2 ASP 119 HB2 ASP 119 11.751 -5.227 7.092 880 HB3 ASP 119 HB1 ASP 119 11.038 -3.844 7.919 881 H ARG 120 HN ARG 120 9.305 -4.139 5.548 882 HA ARG 120 HA ARG 120 8.002 -1.895 6.583 883 HB2 ARG 120 HB1 ARG 120 7.933 -3.110 3.820 884 HB3 ARG 120 HB2 ARG 120 7.199 -1.562 4.214 885 HG2 ARG 120 HG2 ARG 120 9.273 -1.025 3.289 886 HG3 ARG 120 HG1 ARG 120 9.504 -0.858 5.031 887 HD2 ARG 120 HD2 ARG 120 10.655 -2.927 5.166 888 HD3 ARG 120 HD1 ARG 120 10.195 -3.366 3.522 889 HE ARG 120 HE ARG 120 12.203 -1.362 4.277 890 HH11 ARG 120 HH11 ARG 120 10.651 -3.339 1.864 891 HH12 ARG 120 HH12 ARG 120 11.849 -3.028 0.654 892 HH21 ARG 120 HH21 ARG 120 13.785 -0.947 2.688 893 HH22 ARG 120 HH22 ARG 120 13.632 -1.669 1.121 894 H TYR 121 HN TYR 121 6.742 -4.966 5.418 895 HA TYR 121 HA TYR 121 4.013 -4.250 5.426 896 HB2 TYR 121 HB2 TYR 121 5.027 -6.272 4.306 897 HB3 TYR 121 HB1 TYR 121 5.139 -7.015 5.897 898 HD1 TYR 121 HD2 TYR 121 2.935 -7.248 7.231 899 HD2 TYR 121 HD1 TYR 121 3.084 -6.504 3.046 900 HE1 TYR 121 HE2 TYR 121 0.632 -8.081 7.007 901 HE2 TYR 121 HE1 TYR 121 0.782 -7.332 2.809 902 HH TYR 121 HH TYR 121 -1.268 -7.850 5.462 903 H HIS 122 HN HIS 122 6.025 -5.904 7.846 904 HA HIS 122 HA HIS 122 4.071 -6.355 9.770 905 HB2 HIS 122 HB1 HIS 122 7.038 -5.893 9.988 906 HB3 HIS 122 HB2 HIS 122 6.048 -6.222 11.405 907 HD1 HIS 122 HD1 HIS 122 7.066 -8.497 11.907 908 HD2 HIS 122 HD2 HIS 122 5.514 -8.202 8.064 909 HE1 HIS 122 HE1 HIS 122 7.062 -10.843 11.003 910 HE2 HIS 122 HE2 HIS 122 6.025 -10.653 8.714 911 H PHE 123 HN PHE 123 5.880 -3.443 9.034 912 HA PHE 123 HA PHE 123 4.967 -2.056 11.394 913 HB2 PHE 123 HB1 PHE 123 6.408 -1.076 8.924 914 HB3 PHE 123 HB2 PHE 123 6.031 -0.066 10.316 915 HD1 PHE 123 HD1 PHE 123 6.672 -1.716 12.590 916 HD2 PHE 123 HD2 PHE 123 8.683 -1.372 8.854 917 HE1 PHE 123 HE1 PHE 123 8.777 -2.402 13.664 918 HE2 PHE 123 HE2 PHE 123 10.791 -2.061 9.922 919 HZ PHE 123 HZ PHE 123 10.839 -2.576 12.329 920 H LEU 124 HN LEU 124 4.411 -1.633 7.894 921 HA LEU 124 HA LEU 124 2.514 0.337 7.938 922 HB2 LEU 124 HB2 LEU 124 3.614 -1.030 5.988 923 HB3 LEU 124 HB1 LEU 124 2.158 -1.996 6.101 924 HG LEU 124 HG LEU 124 2.203 0.978 5.592 925 HD11 LEU 124 HD21 LEU 124 3.188 -0.237 3.732 926 HD12 LEU 124 HD22 LEU 124 1.603 0.399 3.295 927 HD13 LEU 124 HD23 LEU 124 1.791 -1.312 3.679 928 HD21 LEU 124 HD11 LEU 124 -0.042 -1.028 5.441 929 HD22 LEU 124 HD12 LEU 124 -0.148 0.679 5.008 930 HD23 LEU 124 HD13 LEU 124 0.159 0.211 6.681 931 H ARG 125 HN ARG 125 1.774 -3.144 7.805 932 HA ARG 125 HA ARG 125 -0.921 -3.108 8.121 933 HB2 ARG 125 HB2 ARG 125 0.405 -5.162 7.830 934 HB3 ARG 125 HB1 ARG 125 0.967 -5.031 9.491 935 HG2 ARG 125 HG2 ARG 125 -1.327 -5.298 10.291 936 HG3 ARG 125 HG1 ARG 125 -1.888 -5.435 8.623 937 HD2 ARG 125 HD1 ARG 125 -0.491 -7.428 8.326 938 HD3 ARG 125 HD2 ARG 125 0.043 -7.297 10.002 939 HE ARG 125 HE ARG 125 -2.714 -7.392 10.077 940 HH11 ARG 125 HH11 ARG 125 -0.123 -9.445 8.973 941 HH12 ARG 125 HH12 ARG 125 -0.993 -10.915 9.262 942 HH21 ARG 125 HH21 ARG 125 -3.866 -9.322 10.458 943 HH22 ARG 125 HH22 ARG 125 -3.121 -10.845 10.105 944 H GLY 126 HN GLY 126 1.491 -2.639 10.659 945 HA2 GLY 126 HA2 GLY 126 -0.335 -2.690 12.827 946 HA3 GLY 126 HA1 GLY 126 1.287 -2.016 12.854 947 H PHE 127 HN PHE 127 0.779 -0.101 10.695 948 HA PHE 127 HA PHE 127 -0.164 2.040 12.265 949 HB2 PHE 127 HB1 PHE 127 1.449 2.480 10.549 950 HB3 PHE 127 HB2 PHE 127 0.407 1.789 9.310 951 HD1 PHE 127 HD1 PHE 127 0.559 4.573 11.772 952 HD2 PHE 127 HD2 PHE 127 -0.967 3.162 8.059 953 HE1 PHE 127 HE1 PHE 127 -0.368 6.804 11.310 954 HE2 PHE 127 HE2 PHE 127 -1.895 5.392 7.588 955 HZ PHE 127 HZ PHE 127 -1.596 7.217 9.215 956 H ALA 128 HN ALA 128 -1.671 0.004 9.833 957 HA ALA 128 HA ALA 128 -3.983 1.522 9.380 958 HB1 ALA 128 HB1 ALA 128 -4.950 -0.524 8.491 959 HB2 ALA 128 HB2 ALA 128 -3.664 -1.473 9.236 960 HB3 ALA 128 HB3 ALA 128 -3.284 -0.335 7.943 961 H ALA 129 HN ALA 129 -3.015 -0.355 12.090 962 HA ALA 129 HA ALA 129 -5.571 -1.045 13.099 963 HB1 ALA 129 HB1 ALA 129 -3.516 -2.150 13.840 964 HB2 ALA 129 HB2 ALA 129 -4.416 -1.478 15.201 965 HB3 ALA 129 HB3 ALA 129 -2.982 -0.648 14.595 966 H GLY 130 HN GLY 130 -3.629 1.846 13.241 967 HA2 GLY 130 HA1 GLY 130 -5.135 3.057 15.380 968 HA3 GLY 130 HA2 GLY 130 -3.924 3.844 14.378 969 H HIS 131 HN HIS 131 -5.853 2.457 12.197 970 HA HIS 131 HA HIS 131 -7.244 4.931 11.650 971 HB2 HIS 131 HB2 HIS 131 -6.724 2.395 10.168 972 HB3 HIS 131 HB1 HIS 131 -8.103 3.374 9.673 973 HD1 HIS 131 HD1 HIS 131 -7.226 6.121 9.525 974 HD2 HIS 131 HD2 HIS 131 -4.586 3.031 8.664 975 HE1 HIS 131 HE1 HIS 131 -5.409 7.159 8.132 976 HE2 HIS 131 HE2 HIS 131 -3.865 5.253 7.556 977 HA PRO 132 HA PRO 132 -11.122 3.866 13.464 978 HB2 PRO 132 HB2 PRO 132 -12.815 5.225 11.812 979 HB3 PRO 132 HB1 PRO 132 -11.832 6.005 13.055 980 HG2 PRO 132 HG1 PRO 132 -11.325 5.757 10.114 981 HG3 PRO 132 HG2 PRO 132 -11.102 7.161 11.173 982 HD2 PRO 132 HD2 PRO 132 -9.038 5.610 10.401 983 HD3 PRO 132 HD1 PRO 132 -9.093 6.373 12.003 984 H GLU 133 HN GLU 133 -10.229 2.920 10.340 985 HA GLU 133 HA GLU 133 -12.555 1.119 10.170 986 HB2 GLU 133 HB1 GLU 133 -11.055 2.573 8.016 987 HB3 GLU 133 HB2 GLU 133 -11.905 1.077 7.649 988 HG2 GLU 133 HG2 GLU 133 -13.984 1.998 8.109 989 HG3 GLU 133 HG1 GLU 133 -13.296 3.323 9.041 990 H ALA 134 HN ALA 134 -9.777 0.936 11.390 991 HA ALA 134 HA ALA 134 -8.052 -0.724 10.104 992 HB1 ALA 134 HB1 ALA 134 -8.886 -0.999 12.990 993 HB2 ALA 134 HB2 ALA 134 -7.702 0.153 12.372 994 HB3 ALA 134 HB3 ALA 134 -7.380 -1.579 12.277 995 H ALA 135 HN ALA 135 -11.037 -1.680 11.771 996 HA ALA 135 HA ALA 135 -10.847 -4.413 11.598 997 HB1 ALA 135 HB1 ALA 135 -13.347 -2.768 11.237 998 HB2 ALA 135 HB2 ALA 135 -12.633 -3.228 12.783 999 HB3 ALA 135 HB3 ALA 135 -13.275 -4.467 11.704 1000 H ALA 136 HN ALA 136 -12.018 -2.161 9.106 1001 HA ALA 136 HA ALA 136 -12.642 -4.262 7.260 1002 HB1 ALA 136 HB1 ALA 136 -13.811 -2.113 7.216 1003 HB2 ALA 136 HB2 ALA 136 -13.057 -2.476 5.664 1004 HB3 ALA 136 HB3 ALA 136 -12.311 -1.308 6.755 1005 H ILE 137 HN ILE 137 -9.855 -2.202 7.833 1006 HA ILE 137 HA ILE 137 -8.520 -2.765 5.403 1007 HB ILE 137 HB ILE 137 -7.441 -1.795 8.044 1008 HG12 ILE 137 HG12 ILE 137 -8.056 -0.289 5.493 1009 HG13 ILE 137 HG11 ILE 137 -9.121 -0.346 6.894 1010 HG21 ILE 137 HG21 ILE 137 -5.474 -1.064 6.759 1011 HG22 ILE 137 HG22 ILE 137 -6.117 -1.887 5.337 1012 HG23 ILE 137 HG23 ILE 137 -5.660 -2.819 6.763 1013 HD11 ILE 137 HD11 ILE 137 -7.397 0.728 8.244 1014 HD12 ILE 137 HD12 ILE 137 -7.848 1.711 6.850 1015 HD13 ILE 137 HD13 ILE 137 -6.340 0.796 6.833 1016 H TYR 138 HN TYR 138 -8.015 -4.095 8.699 1017 HA TYR 138 HA TYR 138 -5.911 -5.806 7.918 1018 HB2 TYR 138 HB1 TYR 138 -5.853 -6.509 10.093 1019 HB3 TYR 138 HB2 TYR 138 -6.751 -5.012 10.301 1020 HD1 TYR 138 HD1 TYR 138 -9.186 -5.070 10.693 1021 HD2 TYR 138 HD2 TYR 138 -6.873 -8.634 10.505 1022 HE1 TYR 138 HE1 TYR 138 -11.014 -6.307 11.778 1023 HE2 TYR 138 HE2 TYR 138 -8.696 -9.883 11.585 1024 HH TYR 138 HH TYR 138 -11.826 -8.604 11.965 1025 H ARG 139 HN ARG 139 -9.394 -6.205 7.949 1026 HA ARG 139 HA ARG 139 -9.289 -9.036 7.486 1027 HB2 ARG 139 HB2 ARG 139 -11.671 -8.927 7.190 1028 HB3 ARG 139 HB1 ARG 139 -11.241 -7.897 8.548 1029 HG2 ARG 139 HG2 ARG 139 -11.410 -5.929 7.101 1030 HG3 ARG 139 HG1 ARG 139 -11.872 -6.972 5.754 1031 HD2 ARG 139 HD2 ARG 139 -13.380 -6.574 8.333 1032 HD3 ARG 139 HD1 ARG 139 -13.851 -5.997 6.735 1033 HE ARG 139 HE ARG 139 -13.637 -8.685 6.414 1034 HH11 ARG 139 HH11 ARG 139 -15.385 -6.641 8.630 1035 HH12 ARG 139 HH12 ARG 139 -16.687 -7.763 8.839 1036 HH21 ARG 139 HH21 ARG 139 -15.347 -10.168 6.683 1037 HH22 ARG 139 HH22 ARG 139 -16.666 -9.768 7.734 1038 H ALA 140 HN ALA 140 -9.441 -6.142 5.549 1039 HA ALA 140 HA ALA 140 -10.045 -7.338 3.068 1040 HB1 ALA 140 HB1 ALA 140 -10.244 -4.930 3.465 1041 HB2 ALA 140 HB2 ALA 140 -9.221 -5.272 2.070 1042 HB3 ALA 140 HB3 ALA 140 -8.490 -4.809 3.607 1043 H ILE 141 HN ILE 141 -7.076 -6.930 4.861 1044 HA ILE 141 HA ILE 141 -5.506 -8.000 2.637 1045 HB ILE 141 HB ILE 141 -3.533 -7.469 4.027 1046 HG12 ILE 141 HG11 ILE 141 -4.183 -5.808 5.988 1047 HG13 ILE 141 HG12 ILE 141 -5.665 -6.759 5.999 1048 HG21 ILE 141 HG21 ILE 141 -3.724 -5.028 3.859 1049 HG22 ILE 141 HG22 ILE 141 -5.466 -5.190 3.639 1050 HG23 ILE 141 HG23 ILE 141 -4.360 -5.842 2.430 1051 HD11 ILE 141 HD11 ILE 141 -2.879 -7.840 6.346 1052 HD12 ILE 141 HD12 ILE 141 -4.368 -8.785 6.370 1053 HD13 ILE 141 HD13 ILE 141 -4.065 -7.584 7.626 1054 H ASP 142 HN ASP 142 -7.141 -9.077 5.350 1055 HA ASP 142 HA ASP 142 -5.446 -11.045 6.396 1056 HB2 ASP 142 HB2 ASP 142 -7.503 -10.347 7.523 1057 HB3 ASP 142 HB1 ASP 142 -8.468 -11.034 6.218 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -13.479 -4.079 17.452 2 H2 MET 1 HT2 MET 1 -12.702 -4.491 18.896 3 H3 MET 1 HT3 MET 1 -12.067 -5.012 17.417 4 HA MET 1 HA MET 1 -11.631 -2.728 16.773 5 HB2 MET 1 HB1 MET 1 -11.826 -0.959 18.478 6 HB3 MET 1 HB2 MET 1 -13.387 -1.658 18.074 7 HG2 MET 1 HG2 MET 1 -13.308 -3.013 20.104 8 HG3 MET 1 HG1 MET 1 -11.742 -2.313 20.508 9 HE1 MET 1 HE1 MET 1 -12.154 0.692 19.567 10 HE2 MET 1 HE2 MET 1 -11.398 0.288 21.107 11 HE3 MET 1 HE3 MET 1 -12.711 1.464 21.052 12 H ASN 2 HN ASN 2 -9.747 -1.423 17.744 13 HA ASN 2 HA ASN 2 -7.883 -3.359 18.910 14 HB2 ASN 2 HB2 ASN 2 -6.118 -1.827 18.115 15 HB3 ASN 2 HB1 ASN 2 -7.182 -2.337 16.809 16 HD21 ASN 2 HD21 ASN 2 -6.172 0.297 18.822 17 HD22 ASN 2 HD22 ASN 2 -6.933 1.553 17.912 18 H THR 3 HN THR 3 -6.907 -3.068 20.844 19 HA THR 3 HA THR 3 -7.768 -0.741 22.419 20 HB THR 3 HB THR 3 -8.425 -2.855 23.410 21 HG1 THR 3 HG1 THR 3 -6.991 -1.006 24.610 22 HG21 THR 3 HG21 THR 3 -6.736 -4.304 22.402 23 HG22 THR 3 HG22 THR 3 -6.748 -4.490 24.156 24 HG23 THR 3 HG23 THR 3 -5.481 -3.541 23.379 25 H GLU 4 HN GLU 4 -5.082 -2.034 20.843 26 HA GLU 4 HA GLU 4 -3.099 -0.938 22.645 27 HB2 GLU 4 HB1 GLU 4 -2.824 -2.181 19.904 28 HB3 GLU 4 HB2 GLU 4 -1.478 -1.696 20.925 29 HG2 GLU 4 HG2 GLU 4 -3.527 -3.802 21.577 30 HG3 GLU 4 HG1 GLU 4 -1.865 -4.086 21.061 31 H GLU 5 HN GLU 5 -1.286 0.385 21.484 32 HA GLU 5 HA GLU 5 -2.363 2.322 19.592 33 HB2 GLU 5 HB1 GLU 5 -2.963 3.348 21.678 34 HB3 GLU 5 HB2 GLU 5 -1.367 3.046 22.350 35 HG2 GLU 5 HG2 GLU 5 -1.697 5.390 21.727 36 HG3 GLU 5 HG1 GLU 5 -0.380 4.635 20.829 37 H GLN 6 HN GLN 6 -0.903 2.407 18.027 38 HA GLN 6 HA GLN 6 1.919 1.982 18.681 39 HB2 GLN 6 HB2 GLN 6 1.988 1.984 16.026 40 HB3 GLN 6 HB1 GLN 6 1.530 0.556 16.943 41 HG2 GLN 6 HG1 GLN 6 -0.004 0.788 15.153 42 HG3 GLN 6 HG2 GLN 6 -0.854 1.211 16.638 43 HE21 GLN 6 HE22 GLN 6 0.600 2.453 13.719 44 HE22 GLN 6 HE21 GLN 6 -0.221 3.974 13.724 45 HA PRO 7 HA PRO 7 2.543 6.378 18.292 46 HB2 PRO 7 HB2 PRO 7 5.386 5.703 18.417 47 HB3 PRO 7 HB1 PRO 7 4.425 6.671 19.542 48 HG2 PRO 7 HG2 PRO 7 5.335 4.229 20.198 49 HG3 PRO 7 HG1 PRO 7 3.760 4.819 20.760 50 HD2 PRO 7 HD2 PRO 7 4.385 2.944 18.504 51 HD3 PRO 7 HD1 PRO 7 3.104 2.837 19.732 52 H VAL 8 HN VAL 8 3.000 4.169 16.061 53 HA VAL 8 HA VAL 8 4.764 5.646 14.288 54 HB VAL 8 HB VAL 8 3.281 3.064 13.802 55 HG11 VAL 8 HG11 VAL 8 3.855 4.202 11.734 56 HG12 VAL 8 HG12 VAL 8 4.857 2.767 11.947 57 HG13 VAL 8 HG13 VAL 8 5.527 4.365 12.270 58 HG21 VAL 8 HG21 VAL 8 4.865 2.856 15.639 59 HG22 VAL 8 HG22 VAL 8 6.140 3.541 14.632 60 HG23 VAL 8 HG23 VAL 8 5.436 1.977 14.220 61 H THR 9 HN THR 9 4.121 6.933 12.693 62 HA THR 9 HA THR 9 1.449 6.706 11.566 63 HB THR 9 HB THR 9 1.015 9.141 11.812 64 HG1 THR 9 HG1 THR 9 3.236 9.720 12.265 65 HG21 THR 9 HG21 THR 9 -0.040 7.540 13.340 66 HG22 THR 9 HG22 THR 9 0.311 9.064 14.155 67 HG23 THR 9 HG23 THR 9 1.345 7.661 14.426 68 H ALA 10 HN ALA 10 1.352 7.332 9.459 69 HA ALA 10 HA ALA 10 3.846 7.832 8.120 70 HB1 ALA 10 HB1 ALA 10 2.537 7.697 6.067 71 HB2 ALA 10 HB2 ALA 10 1.045 7.707 7.007 72 HB3 ALA 10 HB3 ALA 10 2.165 6.350 7.142 73 H SER 11 HN SER 11 3.487 9.502 6.128 74 HA SER 11 HA SER 11 2.185 11.946 6.909 75 HB2 SER 11 HB1 SER 11 4.239 12.070 8.267 76 HB3 SER 11 HB2 SER 11 5.210 11.881 6.808 77 HG SER 11 HG SER 11 5.117 13.998 6.867 78 H LEU 12 HN LEU 12 2.271 13.583 5.258 79 HA LEU 12 HA LEU 12 2.621 12.413 2.614 80 HB2 LEU 12 HB2 LEU 12 0.534 13.653 3.329 81 HB3 LEU 12 HB1 LEU 12 1.492 15.121 3.299 82 HG LEU 12 HG LEU 12 1.962 14.692 0.881 83 HD11 LEU 12 HD21 LEU 12 0.569 13.074 -0.303 84 HD12 LEU 12 HD22 LEU 12 -0.115 12.532 1.230 85 HD13 LEU 12 HD23 LEU 12 1.597 12.278 0.889 86 HD21 LEU 12 HD11 LEU 12 -0.267 15.359 0.106 87 HD22 LEU 12 HD12 LEU 12 0.219 16.241 1.553 88 HD23 LEU 12 HD13 LEU 12 -0.937 14.917 1.675 89 H VAL 13 HN VAL 13 4.460 12.678 1.571 90 HA VAL 13 HA VAL 13 6.374 14.680 2.364 91 HB VAL 13 HB VAL 13 6.518 12.773 0.026 92 HG11 VAL 13 HG11 VAL 13 8.671 14.292 1.493 93 HG12 VAL 13 HG12 VAL 13 8.085 14.630 -0.135 94 HG13 VAL 13 HG13 VAL 13 8.937 13.123 0.200 95 HG21 VAL 13 HG21 VAL 13 7.527 12.435 2.848 96 HG22 VAL 13 HG22 VAL 13 7.844 11.336 1.505 97 HG23 VAL 13 HG23 VAL 13 6.198 11.547 2.103 98 H ALA 14 HN ALA 14 7.262 16.303 1.009 99 HA ALA 14 HA ALA 14 5.463 17.925 -0.318 100 HB1 ALA 14 HB1 ALA 14 7.639 18.692 0.502 101 HB2 ALA 14 HB2 ALA 14 7.392 19.135 -1.189 102 HB3 ALA 14 HB3 ALA 14 8.441 17.777 -0.775 103 H GLU 15 HN GLU 15 5.314 18.515 -2.589 104 HA GLU 15 HA GLU 15 4.993 16.213 -4.239 105 HB2 GLU 15 HB2 GLU 15 4.418 17.943 -6.012 106 HB3 GLU 15 HB1 GLU 15 3.406 17.917 -4.577 107 HG2 GLU 15 HG2 GLU 15 3.804 20.181 -5.090 108 HG3 GLU 15 HG1 GLU 15 4.792 19.803 -3.681 109 H ALA 16 HN ALA 16 7.494 18.615 -3.873 110 HA ALA 16 HA ALA 16 8.834 17.700 -6.303 111 HB1 ALA 16 HB1 ALA 16 9.607 19.896 -4.388 112 HB2 ALA 16 HB2 ALA 16 8.717 20.110 -5.895 113 HB3 ALA 16 HB3 ALA 16 10.385 19.538 -5.929 114 H GLN 17 HN GLN 17 8.712 16.833 -3.092 115 HA GLN 17 HA GLN 17 11.498 15.885 -3.093 116 HB2 GLN 17 HB2 GLN 17 9.589 16.313 -0.790 117 HB3 GLN 17 HB1 GLN 17 11.201 15.630 -0.635 118 HG2 GLN 17 HG2 GLN 17 10.555 18.393 -1.641 119 HG3 GLN 17 HG1 GLN 17 11.143 17.992 -0.028 120 HE21 GLN 17 HE21 GLN 17 11.950 18.173 -3.412 121 HE22 GLN 17 HE22 GLN 17 13.664 18.120 -3.210 122 H ARG 18 HN ARG 18 8.258 14.914 -3.344 123 HA ARG 18 HA ARG 18 8.531 12.278 -2.273 124 HB2 ARG 18 HB1 ARG 18 6.348 11.858 -3.310 125 HB3 ARG 18 HB2 ARG 18 6.348 13.365 -2.405 126 HG2 ARG 18 HG2 ARG 18 6.591 14.626 -4.471 127 HG3 ARG 18 HG1 ARG 18 6.629 13.121 -5.392 128 HD2 ARG 18 HD2 ARG 18 4.329 13.982 -3.648 129 HD3 ARG 18 HD1 ARG 18 4.414 14.266 -5.386 130 HE ARG 18 HE ARG 18 4.818 11.560 -5.027 131 HH11 ARG 18 HH11 ARG 18 2.304 13.873 -4.345 132 HH12 ARG 18 HH12 ARG 18 1.021 12.719 -4.501 133 HH21 ARG 18 HH21 ARG 18 3.137 10.035 -5.239 134 HH22 ARG 18 HH22 ARG 18 1.495 10.537 -5.010 135 H LEU 19 HN LEU 19 9.192 13.782 -5.316 136 HA LEU 19 HA LEU 19 9.176 11.432 -6.916 137 HB2 LEU 19 HB2 LEU 19 10.511 12.856 -8.507 138 HB3 LEU 19 HB1 LEU 19 8.943 13.489 -8.047 139 HG LEU 19 HG LEU 19 10.315 14.825 -6.260 140 HD11 LEU 19 HD11 LEU 19 12.442 13.713 -6.660 141 HD12 LEU 19 HD12 LEU 19 12.548 15.432 -7.039 142 HD13 LEU 19 HD13 LEU 19 12.417 14.249 -8.340 143 HD21 LEU 19 HD21 LEU 19 9.036 15.842 -8.048 144 HD22 LEU 19 HD22 LEU 19 10.338 15.512 -9.193 145 HD23 LEU 19 HD23 LEU 19 10.593 16.651 -7.871 146 H ASP 20 HN ASP 20 11.487 12.866 -4.772 147 HA ASP 20 HA ASP 20 13.583 11.045 -5.732 148 HB2 ASP 20 HB2 ASP 20 14.046 13.538 -5.462 149 HB3 ASP 20 HB1 ASP 20 13.926 13.269 -3.726 150 H PHE 21 HN PHE 21 11.335 11.524 -3.225 151 HA PHE 21 HA PHE 21 12.700 10.275 -1.082 152 HB2 PHE 21 HB2 PHE 21 10.437 11.662 -1.182 153 HB3 PHE 21 HB1 PHE 21 9.739 10.051 -1.336 154 HD1 PHE 21 HD2 PHE 21 11.556 12.339 0.862 155 HD2 PHE 21 HD1 PHE 21 9.781 8.490 0.489 156 HE1 PHE 21 HE2 PHE 21 11.673 12.055 3.302 157 HE2 PHE 21 HE1 PHE 21 9.894 8.198 2.929 158 HZ PHE 21 HZ PHE 21 10.841 9.981 4.339 159 H LEU 22 HN LEU 22 10.669 9.096 -3.702 160 HA LEU 22 HA LEU 22 10.345 6.464 -2.795 161 HB2 LEU 22 HB2 LEU 22 9.263 7.764 -4.805 162 HB3 LEU 22 HB1 LEU 22 10.599 7.076 -5.708 163 HG LEU 22 HG LEU 22 9.858 4.846 -5.289 164 HD11 LEU 22 HD11 LEU 22 7.846 4.384 -3.929 165 HD12 LEU 22 HD12 LEU 22 7.824 6.077 -3.435 166 HD13 LEU 22 HD13 LEU 22 9.182 5.044 -2.985 167 HD21 LEU 22 HD21 LEU 22 7.614 4.876 -6.285 168 HD22 LEU 22 HD22 LEU 22 8.716 5.987 -7.099 169 HD23 LEU 22 HD23 LEU 22 7.510 6.609 -5.974 170 HA PRO 23 HA PRO 23 14.293 5.317 -5.355 171 HB2 PRO 23 HB2 PRO 23 15.955 7.380 -6.021 172 HB3 PRO 23 HB1 PRO 23 14.712 6.746 -7.105 173 HG2 PRO 23 HG2 PRO 23 14.635 9.159 -5.336 174 HG3 PRO 23 HG1 PRO 23 14.056 8.973 -7.002 175 HD2 PRO 23 HD2 PRO 23 12.382 8.911 -4.890 176 HD3 PRO 23 HD1 PRO 23 12.105 7.925 -6.341 177 H THR 24 HN THR 24 13.997 7.724 -2.961 178 HA THR 24 HA THR 24 16.622 7.569 -1.846 179 HB THR 24 HB THR 24 14.001 8.690 -0.914 180 HG1 THR 24 HG1 THR 24 15.362 10.584 -0.806 181 HG21 THR 24 HG21 THR 24 15.011 9.362 1.205 182 HG22 THR 24 HG22 THR 24 16.472 8.458 0.806 183 HG23 THR 24 HG23 THR 24 14.949 7.605 1.065 184 H TYR 25 HN TYR 25 13.577 5.934 -1.348 185 HA TYR 25 HA TYR 25 14.927 4.071 0.494 186 HB2 TYR 25 HB1 TYR 25 12.069 5.044 0.504 187 HB3 TYR 25 HB2 TYR 25 12.592 3.618 1.396 188 HD1 TYR 25 HD1 TYR 25 14.535 3.946 3.070 189 HD2 TYR 25 HD2 TYR 25 12.222 7.151 1.494 190 HE1 TYR 25 HE1 TYR 25 15.235 5.368 4.950 191 HE2 TYR 25 HE2 TYR 25 12.917 8.581 3.369 192 HH TYR 25 HH TYR 25 15.450 7.745 5.481 193 H PHE 26 HN PHE 26 11.825 3.975 -1.228 194 HA PHE 26 HA PHE 26 11.659 1.394 -1.906 195 HB2 PHE 26 HB2 PHE 26 10.648 3.850 -3.044 196 HB3 PHE 26 HB1 PHE 26 10.958 2.669 -4.313 197 HD1 PHE 26 HD2 PHE 26 9.536 2.588 -0.857 198 HD2 PHE 26 HD1 PHE 26 9.119 1.482 -4.944 199 HE1 PHE 26 HE2 PHE 26 7.410 1.466 -0.332 200 HE2 PHE 26 HE1 PHE 26 6.990 0.361 -4.429 201 HZ PHE 26 HZ PHE 26 6.133 0.351 -2.119 202 H GLY 27 HN GLY 27 13.628 3.778 -3.584 203 HA2 GLY 27 HA2 GLY 27 15.835 3.007 -4.352 204 HA3 GLY 27 HA1 GLY 27 15.035 1.552 -4.924 205 HA PRO 28 HA PRO 28 15.025 5.342 -8.014 206 HB2 PRO 28 HB2 PRO 28 17.332 4.713 -9.400 207 HB3 PRO 28 HB1 PRO 28 17.214 5.969 -8.164 208 HG2 PRO 28 HG2 PRO 28 18.219 3.163 -7.927 209 HG3 PRO 28 HG1 PRO 28 18.861 4.649 -7.204 210 HD2 PRO 28 HD1 PRO 28 17.408 2.911 -5.770 211 HD3 PRO 28 HD2 PRO 28 17.268 4.663 -5.517 212 H ARG 29 HN ARG 29 15.503 1.958 -7.931 213 HA ARG 29 HA ARG 29 14.679 1.653 -10.721 214 HB2 ARG 29 HB2 ARG 29 16.553 0.290 -10.182 215 HB3 ARG 29 HB1 ARG 29 15.796 -0.287 -8.703 216 HG2 ARG 29 HG1 ARG 29 15.786 -1.995 -10.440 217 HG3 ARG 29 HG2 ARG 29 14.146 -1.513 -10.001 218 HD2 ARG 29 HD1 ARG 29 14.204 0.058 -11.971 219 HD3 ARG 29 HD2 ARG 29 15.708 -0.728 -12.451 220 HE ARG 29 HE ARG 29 13.473 -2.514 -12.032 221 HH11 ARG 29 HH11 ARG 29 15.258 -0.569 -14.307 222 HH12 ARG 29 HH12 ARG 29 14.704 -1.451 -15.693 223 HH21 ARG 29 HH21 ARG 29 12.740 -3.681 -13.850 224 HH22 ARG 29 HH22 ARG 29 13.273 -3.219 -15.432 225 H LEU 30 HN LEU 30 13.651 0.745 -7.414 226 HA LEU 30 HA LEU 30 11.404 -0.740 -8.217 227 HB2 LEU 30 HB1 LEU 30 12.365 0.501 -5.683 228 HB3 LEU 30 HB2 LEU 30 10.717 -0.084 -5.761 229 HG LEU 30 HG LEU 30 11.657 -2.327 -6.454 230 HD11 LEU 30 HD21 LEU 30 14.010 -2.754 -5.938 231 HD12 LEU 30 HD22 LEU 30 14.244 -1.041 -5.590 232 HD13 LEU 30 HD23 LEU 30 13.837 -1.560 -7.225 233 HD21 LEU 30 HD11 LEU 30 12.334 -2.924 -4.162 234 HD22 LEU 30 HD12 LEU 30 10.878 -1.930 -4.198 235 HD23 LEU 30 HD13 LEU 30 12.427 -1.209 -3.761 236 H MET 31 HN MET 31 11.898 2.679 -7.633 237 HA MET 31 HA MET 31 9.561 3.776 -7.089 238 HB2 MET 31 HB2 MET 31 10.096 5.422 -9.103 239 HB3 MET 31 HB1 MET 31 11.081 5.379 -7.646 240 HG2 MET 31 HG2 MET 31 12.819 4.302 -8.684 241 HG3 MET 31 HG1 MET 31 11.794 3.612 -9.937 242 HE1 MET 31 HE1 MET 31 11.109 6.757 -12.196 243 HE2 MET 31 HE2 MET 31 10.130 6.217 -10.834 244 HE3 MET 31 HE3 MET 31 10.796 5.038 -11.963 245 H MET 32 HN MET 32 10.166 2.127 -10.136 246 HA MET 32 HA MET 32 7.409 2.683 -10.970 247 HB2 MET 32 HB1 MET 32 8.083 2.055 -13.197 248 HB3 MET 32 HB2 MET 32 9.255 3.207 -12.568 249 HG2 MET 32 HG2 MET 32 10.715 1.276 -11.967 250 HG3 MET 32 HG1 MET 32 9.576 0.229 -12.812 251 HE1 MET 32 HE1 MET 32 12.140 3.499 -14.812 252 HE2 MET 32 HE2 MET 32 12.268 3.032 -13.116 253 HE3 MET 32 HE3 MET 32 10.829 3.870 -13.693 254 H ARG 33 HN ARG 33 9.701 0.125 -10.268 255 HA ARG 33 HA ARG 33 8.032 -2.043 -11.009 256 HB2 ARG 33 HB1 ARG 33 10.325 -2.033 -9.042 257 HB3 ARG 33 HB2 ARG 33 9.649 -3.439 -9.852 258 HG2 ARG 33 HG1 ARG 33 11.009 -1.145 -11.248 259 HG3 ARG 33 HG2 ARG 33 11.776 -2.679 -10.834 260 HD2 ARG 33 HD1 ARG 33 9.391 -2.329 -12.647 261 HD3 ARG 33 HD2 ARG 33 11.046 -2.638 -13.168 262 HE ARG 33 HE ARG 33 10.170 -4.641 -11.365 263 HH11 ARG 33 HH11 ARG 33 9.826 -3.556 -14.658 264 HH12 ARG 33 HH12 ARG 33 9.453 -5.131 -15.274 265 HH21 ARG 33 HH21 ARG 33 9.679 -6.719 -12.167 266 HH22 ARG 33 HH22 ARG 33 9.369 -6.928 -13.858 267 H GLY 34 HN GLY 34 7.894 0.100 -8.378 268 HA2 GLY 34 HA2 GLY 34 6.446 -1.879 -6.742 269 HA3 GLY 34 HA1 GLY 34 7.209 -0.426 -6.116 270 H GLU 35 HN GLU 35 6.273 1.481 -7.901 271 HA GLU 35 HA GLU 35 3.768 2.091 -6.820 272 HB2 GLU 35 HB1 GLU 35 3.672 3.913 -8.395 273 HB3 GLU 35 HB2 GLU 35 5.331 3.750 -7.834 274 HG2 GLU 35 HG1 GLU 35 5.985 2.689 -9.876 275 HG3 GLU 35 HG2 GLU 35 4.311 2.616 -10.426 276 H ALA 36 HN ALA 36 4.698 0.405 -9.747 277 HA ALA 36 HA ALA 36 2.059 0.315 -10.853 278 HB1 ALA 36 HB1 ALA 36 4.456 -1.394 -11.500 279 HB2 ALA 36 HB2 ALA 36 4.076 0.161 -12.240 280 HB3 ALA 36 HB3 ALA 36 3.002 -1.218 -12.481 281 H LEU 37 HN LEU 37 3.892 -1.713 -8.673 282 HA LEU 37 HA LEU 37 2.228 -4.014 -8.918 283 HB2 LEU 37 HB2 LEU 37 4.657 -3.424 -7.728 284 HB3 LEU 37 HB1 LEU 37 3.603 -3.771 -6.374 285 HG LEU 37 HG LEU 37 2.980 -5.886 -7.842 286 HD11 LEU 37 HD21 LEU 37 5.758 -5.167 -8.768 287 HD12 LEU 37 HD22 LEU 37 4.310 -5.292 -9.769 288 HD13 LEU 37 HD23 LEU 37 4.984 -6.733 -9.010 289 HD21 LEU 37 HD11 LEU 37 3.882 -5.985 -5.602 290 HD22 LEU 37 HD12 LEU 37 5.495 -5.608 -6.205 291 HD23 LEU 37 HD13 LEU 37 4.726 -7.135 -6.635 292 H VAL 38 HN VAL 38 2.235 -1.220 -6.767 293 HA VAL 38 HA VAL 38 0.344 -2.307 -4.924 294 HB VAL 38 HB VAL 38 0.254 -0.204 -3.880 295 HG11 VAL 38 HG21 VAL 38 2.982 -0.418 -5.143 296 HG12 VAL 38 HG22 VAL 38 2.436 -1.284 -3.708 297 HG13 VAL 38 HG23 VAL 38 2.589 0.473 -3.673 298 HG21 VAL 38 HG11 VAL 38 0.900 1.889 -4.897 299 HG22 VAL 38 HG12 VAL 38 -0.322 1.101 -5.893 300 HG23 VAL 38 HG13 VAL 38 1.372 1.060 -6.379 301 H TYR 39 HN TYR 39 0.104 -0.220 -7.760 302 HA TYR 39 HA TYR 39 -2.725 0.151 -7.490 303 HB2 TYR 39 HB2 TYR 39 -2.389 1.760 -9.007 304 HB3 TYR 39 HB1 TYR 39 -0.681 1.345 -8.970 305 HD1 TYR 39 HD2 TYR 39 0.283 -0.111 -10.709 306 HD2 TYR 39 HD1 TYR 39 -3.765 1.185 -10.882 307 HE1 TYR 39 HE2 TYR 39 0.190 -0.738 -13.086 308 HE2 TYR 39 HE1 TYR 39 -3.870 0.562 -13.259 309 HH TYR 39 HH TYR 39 -1.497 -1.338 -14.768 310 H ALA 40 HN ALA 40 -0.675 -2.236 -8.889 311 HA ALA 40 HA ALA 40 -2.403 -3.322 -10.821 312 HB1 ALA 40 HB1 ALA 40 -0.029 -3.888 -10.704 313 HB2 ALA 40 HB2 ALA 40 -1.030 -5.340 -10.655 314 HB3 ALA 40 HB3 ALA 40 -0.298 -4.723 -9.174 315 H TRP 41 HN TRP 41 -2.026 -3.943 -7.366 316 HA TRP 41 HA TRP 41 -3.979 -6.037 -7.293 317 HB2 TRP 41 HB2 TRP 41 -2.593 -4.415 -5.158 318 HB3 TRP 41 HB1 TRP 41 -3.811 -5.625 -4.775 319 HD1 TRP 41 HD1 TRP 41 -0.177 -5.255 -5.728 320 HE1 TRP 41 HE1 TRP 41 0.950 -7.567 -5.689 321 HE3 TRP 41 HE3 TRP 41 -4.343 -8.181 -5.244 322 HZ2 TRP 41 HZ2 TRP 41 0.175 -10.276 -5.484 323 HZ3 TRP 41 HZ3 TRP 41 -4.062 -10.623 -5.134 324 HH2 TRP 41 HH2 TRP 41 -1.849 -11.648 -5.253 325 H MET 42 HN MET 42 -3.979 -2.569 -6.821 326 HA MET 42 HA MET 42 -6.440 -2.261 -5.539 327 HB2 MET 42 HB1 MET 42 -4.571 -0.543 -6.036 328 HB3 MET 42 HB2 MET 42 -5.401 -0.307 -7.568 329 HG2 MET 42 HG2 MET 42 -6.070 1.359 -5.945 330 HG3 MET 42 HG1 MET 42 -7.428 0.327 -6.388 331 HE1 MET 42 HE1 MET 42 -8.561 1.525 -4.179 332 HE2 MET 42 HE2 MET 42 -7.034 2.314 -3.782 333 HE3 MET 42 HE3 MET 42 -7.880 1.365 -2.561 334 H ARG 43 HN ARG 43 -5.663 -2.266 -9.002 335 HA ARG 43 HA ARG 43 -8.323 -1.826 -9.869 336 HB2 ARG 43 HB2 ARG 43 -7.541 -2.420 -12.083 337 HB3 ARG 43 HB1 ARG 43 -6.371 -1.375 -11.290 338 HG2 ARG 43 HG2 ARG 43 -5.005 -3.342 -10.751 339 HG3 ARG 43 HG1 ARG 43 -6.168 -4.361 -11.604 340 HD2 ARG 43 HD2 ARG 43 -4.542 -2.120 -12.793 341 HD3 ARG 43 HD1 ARG 43 -4.270 -3.846 -13.033 342 HE ARG 43 HE ARG 43 -6.877 -2.829 -13.814 343 HH11 ARG 43 HH11 ARG 43 -3.657 -3.739 -14.792 344 HH12 ARG 43 HH12 ARG 43 -4.080 -3.927 -16.462 345 HH21 ARG 43 HH21 ARG 43 -7.440 -3.072 -16.007 346 HH22 ARG 43 HH22 ARG 43 -6.230 -3.547 -17.153 347 H ARG 44 HN ARG 44 -6.792 -4.558 -8.577 348 HA ARG 44 HA ARG 44 -8.469 -6.518 -9.881 349 HB2 ARG 44 HB1 ARG 44 -6.531 -6.706 -7.570 350 HB3 ARG 44 HB2 ARG 44 -7.432 -8.080 -8.194 351 HG2 ARG 44 HG1 ARG 44 -6.358 -7.776 -10.379 352 HG3 ARG 44 HG2 ARG 44 -5.429 -6.427 -9.718 353 HD2 ARG 44 HD2 ARG 44 -4.424 -7.936 -8.068 354 HD3 ARG 44 HD1 ARG 44 -5.341 -9.281 -8.745 355 HE ARG 44 HE ARG 44 -3.810 -8.044 -10.767 356 HH11 ARG 44 HH11 ARG 44 -3.476 -10.081 -7.960 357 HH12 ARG 44 HH12 ARG 44 -2.046 -10.867 -8.540 358 HH21 ARG 44 HH21 ARG 44 -1.925 -9.074 -11.539 359 HH22 ARG 44 HH22 ARG 44 -1.165 -10.295 -10.574 360 H LEU 45 HN LEU 45 -8.649 -4.451 -7.185 361 HA LEU 45 HA LEU 45 -10.550 -6.018 -5.689 362 HB2 LEU 45 HB2 LEU 45 -9.963 -3.100 -5.296 363 HB3 LEU 45 HB1 LEU 45 -10.563 -4.254 -4.127 364 HG LEU 45 HG LEU 45 -7.789 -4.332 -5.308 365 HD11 LEU 45 HD11 LEU 45 -8.094 -2.336 -3.945 366 HD12 LEU 45 HD12 LEU 45 -7.038 -3.496 -3.138 367 HD13 LEU 45 HD13 LEU 45 -8.716 -3.323 -2.621 368 HD21 LEU 45 HD21 LEU 45 -9.021 -5.829 -2.997 369 HD22 LEU 45 HD22 LEU 45 -7.337 -5.924 -3.513 370 HD23 LEU 45 HD23 LEU 45 -8.619 -6.507 -4.575 371 H CYS 46 HN CYS 46 -10.667 -3.483 -8.100 372 HA CYS 46 HA CYS 46 -13.598 -3.570 -7.949 373 HB2 CYS 46 HB2 CYS 46 -12.859 -1.439 -7.004 374 HB3 CYS 46 HB1 CYS 46 -11.906 -1.113 -8.447 375 HG CYS 46 HG CYS 46 -14.655 0.155 -7.971 376 H GLU 47 HN GLU 47 -14.669 -3.651 -9.885 377 HA GLU 47 HA GLU 47 -13.098 -4.408 -12.187 378 HB2 GLU 47 HB2 GLU 47 -15.236 -4.945 -13.220 379 HB3 GLU 47 HB1 GLU 47 -15.164 -5.620 -11.597 380 HG2 GLU 47 HG1 GLU 47 -16.507 -3.752 -10.767 381 HG3 GLU 47 HG2 GLU 47 -16.589 -3.093 -12.400 382 H ARG 48 HN ARG 48 -14.649 -1.603 -10.996 383 HA ARG 48 HA ARG 48 -14.313 -0.257 -13.594 384 HB2 ARG 48 HB1 ARG 48 -16.029 1.353 -12.824 385 HB3 ARG 48 HB2 ARG 48 -16.652 -0.288 -12.934 386 HG2 ARG 48 HG1 ARG 48 -16.380 -0.535 -10.504 387 HG3 ARG 48 HG2 ARG 48 -15.820 1.136 -10.415 388 HD2 ARG 48 HD2 ARG 48 -18.530 0.200 -11.349 389 HD3 ARG 48 HD1 ARG 48 -18.168 0.998 -9.818 390 HE ARG 48 HE ARG 48 -17.302 2.635 -11.925 391 HH11 ARG 48 HH11 ARG 48 -20.251 1.457 -10.490 392 HH12 ARG 48 HH12 ARG 48 -21.183 2.837 -10.963 393 HH21 ARG 48 HH21 ARG 48 -18.522 4.455 -12.551 394 HH22 ARG 48 HH22 ARG 48 -20.201 4.542 -12.135 395 H TYR 49 HN TYR 49 -12.080 -0.527 -12.207 396 HA TYR 49 HA TYR 49 -11.697 1.982 -10.717 397 HB2 TYR 49 HB2 TYR 49 -11.244 -0.348 -9.652 398 HB3 TYR 49 HB1 TYR 49 -9.788 -0.332 -10.640 399 HD1 TYR 49 HD2 TYR 49 -8.298 1.825 -10.404 400 HD2 TYR 49 HD1 TYR 49 -11.178 0.555 -7.546 401 HE1 TYR 49 HE2 TYR 49 -7.154 3.146 -8.673 402 HE2 TYR 49 HE1 TYR 49 -10.045 1.863 -5.807 403 HH TYR 49 HH TYR 49 -7.615 4.167 -6.529 404 H ASN 50 HN ASN 50 -11.217 3.356 -12.432 405 HA ASN 50 HA ASN 50 -9.424 2.701 -14.518 406 HB2 ASN 50 HB1 ASN 50 -10.202 5.444 -13.507 407 HB3 ASN 50 HB2 ASN 50 -9.504 5.072 -15.079 408 HD21 ASN 50 HD21 ASN 50 -11.077 2.629 -15.375 409 HD22 ASN 50 HD22 ASN 50 -12.682 3.141 -15.756 410 H GLY 51 HN GLY 51 -8.978 4.957 -11.773 411 HA2 GLY 51 HA1 GLY 51 -6.533 4.047 -10.888 412 HA3 GLY 51 HA2 GLY 51 -6.157 5.149 -12.204 413 H ALA 52 HN ALA 52 -5.035 6.127 -10.225 414 HA ALA 52 HA ALA 52 -6.363 8.508 -9.523 415 HB1 ALA 52 HB1 ALA 52 -6.557 8.136 -7.069 416 HB2 ALA 52 HB2 ALA 52 -6.251 6.423 -7.352 417 HB3 ALA 52 HB3 ALA 52 -7.690 7.184 -8.030 418 H TYR 53 HN TYR 53 -5.118 9.603 -7.573 419 HA TYR 53 HA TYR 53 -2.295 9.382 -8.243 420 HB2 TYR 53 HB2 TYR 53 -3.993 11.446 -6.894 421 HB3 TYR 53 HB1 TYR 53 -2.250 11.461 -6.652 422 HD1 TYR 53 HD2 TYR 53 -0.912 11.136 -8.988 423 HD2 TYR 53 HD1 TYR 53 -4.787 12.833 -8.544 424 HE1 TYR 53 HE2 TYR 53 -0.618 12.349 -11.110 425 HE2 TYR 53 HE1 TYR 53 -4.506 14.050 -10.663 426 HH TYR 53 HH TYR 53 -2.701 14.853 -12.099 427 H TRP 54 HN TRP 54 -1.470 7.653 -7.159 428 HA TRP 54 HA TRP 54 -2.051 7.105 -4.420 429 HB2 TRP 54 HB1 TRP 54 0.400 5.997 -5.700 430 HB3 TRP 54 HB2 TRP 54 -0.803 5.196 -4.695 431 HD1 TRP 54 HD1 TRP 54 -3.372 5.114 -6.116 432 HE1 TRP 54 HE1 TRP 54 -3.706 4.224 -8.505 433 HE3 TRP 54 HE3 TRP 54 1.433 5.529 -7.812 434 HZ2 TRP 54 HZ2 TRP 54 -2.137 3.758 -10.809 435 HZ3 TRP 54 HZ3 TRP 54 1.933 4.839 -10.120 436 HH2 TRP 54 HH2 TRP 54 0.184 3.972 -11.587 437 H HIS 55 HN HIS 55 -1.559 9.211 -3.549 438 HA HIS 55 HA HIS 55 0.799 10.568 -3.534 439 HB2 HIS 55 HB2 HIS 55 -1.027 10.131 -1.162 440 HB3 HIS 55 HB1 HIS 55 0.182 11.404 -1.294 441 HD1 HIS 55 HD1 HIS 55 -0.290 13.285 -3.092 442 HD2 HIS 55 HD2 HIS 55 -3.436 10.664 -2.382 443 HE1 HIS 55 HE1 HIS 55 -2.324 14.396 -4.070 444 HE2 HIS 55 HE2 HIS 55 -4.229 12.829 -3.554 445 H TYR 56 HN TYR 56 2.718 10.505 -2.463 446 HA TYR 56 HA TYR 56 3.518 7.916 -1.440 447 HB2 TYR 56 HB1 TYR 56 5.128 10.451 -1.827 448 HB3 TYR 56 HB2 TYR 56 5.790 8.876 -1.406 449 HD1 TYR 56 HD2 TYR 56 3.484 7.705 -3.464 450 HD2 TYR 56 HD1 TYR 56 6.831 10.320 -3.702 451 HE1 TYR 56 HE2 TYR 56 3.724 7.173 -5.853 452 HE2 TYR 56 HE1 TYR 56 7.080 9.794 -6.090 453 HH TYR 56 HH TYR 56 4.690 8.168 -7.874 454 H TYR 57 HN TYR 57 3.729 7.391 0.635 455 HA TYR 57 HA TYR 57 3.577 9.552 2.631 456 HB2 TYR 57 HB2 TYR 57 2.244 6.868 2.561 457 HB3 TYR 57 HB1 TYR 57 2.562 7.661 4.100 458 HD1 TYR 57 HD2 TYR 57 1.437 9.756 4.673 459 HD2 TYR 57 HD1 TYR 57 0.548 7.695 1.061 460 HE1 TYR 57 HE2 TYR 57 -0.611 11.090 4.426 461 HE2 TYR 57 HE1 TYR 57 -1.505 9.025 0.802 462 HH TYR 57 HH TYR 57 -2.133 11.811 2.613 463 H ALA 58 HN ALA 58 4.928 9.515 4.345 464 HA ALA 58 HA ALA 58 7.023 7.446 4.317 465 HB1 ALA 58 HB1 ALA 58 8.489 9.103 5.348 466 HB2 ALA 58 HB2 ALA 58 7.169 10.274 5.357 467 HB3 ALA 58 HB3 ALA 58 7.829 9.702 3.826 468 H LEU 59 HN LEU 59 6.626 5.956 5.827 469 HA LEU 59 HA LEU 59 5.248 6.648 8.279 470 HB2 LEU 59 HB2 LEU 59 6.155 4.108 6.991 471 HB3 LEU 59 HB1 LEU 59 5.752 4.111 8.698 472 HG LEU 59 HG LEU 59 3.801 5.220 6.718 473 HD11 LEU 59 HD21 LEU 59 4.131 2.297 7.367 474 HD12 LEU 59 HD22 LEU 59 4.449 3.055 5.807 475 HD13 LEU 59 HD23 LEU 59 2.807 3.015 6.449 476 HD21 LEU 59 HD11 LEU 59 3.501 3.780 9.348 477 HD22 LEU 59 HD12 LEU 59 2.188 4.445 8.376 478 HD23 LEU 59 HD13 LEU 59 3.383 5.522 9.099 479 H SER 60 HN SER 60 6.081 6.350 10.373 480 HA SER 60 HA SER 60 8.793 7.159 10.673 481 HB2 SER 60 HB2 SER 60 8.345 7.097 13.073 482 HB3 SER 60 HB1 SER 60 7.000 7.861 12.226 483 HG SER 60 HG SER 60 5.734 6.297 12.841 484 H ASP 61 HN ASP 61 7.190 4.087 10.666 485 HA ASP 61 HA ASP 61 9.177 2.647 12.118 486 HB2 ASP 61 HB1 ASP 61 6.831 1.923 10.428 487 HB3 ASP 61 HB2 ASP 61 8.043 0.685 10.738 488 H GLY 62 HN GLY 62 8.709 3.485 8.752 489 HA2 GLY 62 HA2 GLY 62 10.717 3.691 7.380 490 HA3 GLY 62 HA1 GLY 62 11.321 2.239 8.165 491 H GLY 63 HN GLY 63 8.002 2.141 7.461 492 HA2 GLY 63 HA1 GLY 63 8.446 0.090 5.465 493 HA3 GLY 63 HA2 GLY 63 6.902 0.560 6.159 494 H PHE 64 HN PHE 64 6.736 3.201 5.599 495 HA PHE 64 HA PHE 64 6.163 4.701 3.992 496 HB2 PHE 64 HB2 PHE 64 8.102 3.230 2.198 497 HB3 PHE 64 HB1 PHE 64 7.525 4.882 2.008 498 HD1 PHE 64 HD1 PHE 64 8.205 6.609 3.691 499 HD2 PHE 64 HD2 PHE 64 9.957 2.734 3.550 500 HE1 PHE 64 HE1 PHE 64 10.109 7.425 5.016 501 HE2 PHE 64 HE2 PHE 64 11.864 3.543 4.877 502 HZ PHE 64 HZ PHE 64 11.942 5.891 5.611 503 H TYR 65 HN TYR 65 4.313 4.760 2.890 504 HA TYR 65 HA TYR 65 3.673 2.574 1.054 505 HB2 TYR 65 HB2 TYR 65 1.673 1.973 2.048 506 HB3 TYR 65 HB1 TYR 65 2.679 2.287 3.455 507 HD1 TYR 65 HD1 TYR 65 2.374 4.403 4.748 508 HD2 TYR 65 HD2 TYR 65 -0.252 3.286 1.588 509 HE1 TYR 65 HE1 TYR 65 0.709 6.015 5.566 510 HE2 TYR 65 HE2 TYR 65 -1.919 4.899 2.399 511 HH TYR 65 HH TYR 65 -2.511 6.054 4.469 512 H MET 66 HN MET 66 1.632 3.068 -0.205 513 HA MET 66 HA MET 66 1.395 5.964 -0.733 514 HB2 MET 66 HB1 MET 66 1.198 3.819 -2.846 515 HB3 MET 66 HB2 MET 66 1.298 5.559 -3.081 516 HG2 MET 66 HG2 MET 66 3.596 5.407 -1.998 517 HG3 MET 66 HG1 MET 66 3.456 3.664 -2.222 518 HE1 MET 66 HE1 MET 66 1.660 3.826 -4.985 519 HE2 MET 66 HE2 MET 66 2.906 2.606 -4.724 520 HE3 MET 66 HE3 MET 66 2.929 3.591 -6.187 521 H ALA 67 HN ALA 67 -0.636 6.726 -1.315 522 HA ALA 67 HA ALA 67 -2.861 4.817 -1.226 523 HB1 ALA 67 HB1 ALA 67 -2.790 7.367 0.380 524 HB2 ALA 67 HB2 ALA 67 -2.581 5.744 1.036 525 HB3 ALA 67 HB3 ALA 67 -4.118 6.208 0.305 526 HA PRO 68 HA PRO 68 -3.984 7.054 -4.922 527 HB2 PRO 68 HB2 PRO 68 -6.656 5.912 -4.289 528 HB3 PRO 68 HB1 PRO 68 -5.717 5.820 -5.780 529 HG2 PRO 68 HG1 PRO 68 -5.920 3.710 -4.170 530 HG3 PRO 68 HG2 PRO 68 -4.396 4.082 -4.998 531 HD2 PRO 68 HD2 PRO 68 -5.166 4.534 -2.145 532 HD3 PRO 68 HD1 PRO 68 -3.609 4.024 -2.827 533 H ASP 69 HN ASP 69 -5.484 8.739 -5.565 534 HA ASP 69 HA ASP 69 -6.437 10.283 -3.257 535 HB2 ASP 69 HB2 ASP 69 -4.746 11.387 -4.655 536 HB3 ASP 69 HB1 ASP 69 -5.787 11.206 -6.063 537 H LEU 70 HN LEU 70 -8.449 9.273 -3.027 538 HA LEU 70 HA LEU 70 -10.430 10.143 -5.009 539 HB2 LEU 70 HB2 LEU 70 -10.464 7.401 -3.751 540 HB3 LEU 70 HB1 LEU 70 -11.584 8.026 -4.944 541 HG LEU 70 HG LEU 70 -8.646 7.652 -5.508 542 HD11 LEU 70 HD11 LEU 70 -9.634 5.497 -4.905 543 HD12 LEU 70 HD12 LEU 70 -9.240 5.571 -6.622 544 HD13 LEU 70 HD13 LEU 70 -10.912 5.751 -6.092 545 HD21 LEU 70 HD21 LEU 70 -11.045 7.994 -7.302 546 HD22 LEU 70 HD22 LEU 70 -9.387 7.722 -7.839 547 HD23 LEU 70 HD23 LEU 70 -9.803 9.204 -6.978 548 H ALA 71 HN ALA 71 -11.641 11.546 -3.901 549 HA ALA 71 HA ALA 71 -12.172 11.083 -1.066 550 HB1 ALA 71 HB1 ALA 71 -12.818 13.480 -2.780 551 HB2 ALA 71 HB2 ALA 71 -11.386 13.300 -1.766 552 HB3 ALA 71 HB3 ALA 71 -12.986 13.373 -1.027 553 H GLY 72 HN GLY 72 -13.851 9.773 -0.686 554 HA2 GLY 72 HA2 GLY 72 -16.429 10.265 -0.745 555 HA3 GLY 72 HA1 GLY 72 -16.192 9.882 -2.442 556 H ARG 73 HN ARG 73 -17.728 8.159 -2.073 557 HA ARG 73 HA ARG 73 -16.620 5.865 -0.618 558 HB2 ARG 73 HB2 ARG 73 -19.457 6.467 -1.472 559 HB3 ARG 73 HB1 ARG 73 -18.948 4.968 -0.705 560 HG2 ARG 73 HG2 ARG 73 -18.276 6.195 1.285 561 HG3 ARG 73 HG1 ARG 73 -18.736 7.714 0.515 562 HD2 ARG 73 HD1 ARG 73 -21.045 6.995 0.405 563 HD3 ARG 73 HD2 ARG 73 -20.614 5.422 1.075 564 HE ARG 73 HE ARG 73 -19.765 7.338 2.893 565 HH11 ARG 73 HH11 ARG 73 -22.771 6.230 1.519 566 HH12 ARG 73 HH12 ARG 73 -23.708 6.634 2.919 567 HH21 ARG 73 HH21 ARG 73 -20.991 7.871 4.739 568 HH22 ARG 73 HH22 ARG 73 -22.696 7.567 4.748 569 H LEU 74 HN LEU 74 -15.536 4.551 -1.891 570 HA LEU 74 HA LEU 74 -16.569 4.023 -4.601 571 HB2 LEU 74 HB1 LEU 74 -13.715 3.679 -3.698 572 HB3 LEU 74 HB2 LEU 74 -14.332 3.591 -5.336 573 HG LEU 74 HG LEU 74 -15.063 6.117 -4.679 574 HD11 LEU 74 HD21 LEU 74 -13.994 5.981 -2.483 575 HD12 LEU 74 HD22 LEU 74 -13.207 7.178 -3.510 576 HD13 LEU 74 HD23 LEU 74 -12.453 5.604 -3.254 577 HD21 LEU 74 HD11 LEU 74 -12.407 5.217 -5.788 578 HD22 LEU 74 HD12 LEU 74 -13.090 6.835 -5.952 579 HD23 LEU 74 HD13 LEU 74 -13.897 5.458 -6.700 580 H GLU 75 HN GLU 75 -17.484 2.099 -4.777 581 HA GLU 75 HA GLU 75 -17.278 0.054 -2.857 582 HB2 GLU 75 HB1 GLU 75 -18.183 -0.153 -5.735 583 HB3 GLU 75 HB2 GLU 75 -18.510 -1.326 -4.466 584 HG2 GLU 75 HG1 GLU 75 -19.802 0.359 -3.249 585 HG3 GLU 75 HG2 GLU 75 -19.488 1.520 -4.539 586 H ILE 76 HN ILE 76 -15.400 -0.928 -2.437 587 HA ILE 76 HA ILE 76 -13.832 -1.938 -4.716 588 HB ILE 76 HB ILE 76 -12.985 -0.664 -2.172 589 HG12 ILE 76 HG12 ILE 76 -12.870 0.284 -4.565 590 HG13 ILE 76 HG11 ILE 76 -11.444 0.455 -3.548 591 HG21 ILE 76 HG21 ILE 76 -11.509 -2.965 -3.422 592 HG22 ILE 76 HG22 ILE 76 -12.028 -2.787 -1.746 593 HG23 ILE 76 HG23 ILE 76 -10.730 -1.774 -2.381 594 HD11 ILE 76 HD11 ILE 76 -10.338 -1.316 -4.689 595 HD12 ILE 76 HD12 ILE 76 -10.988 -0.210 -5.900 596 HD13 ILE 76 HD13 ILE 76 -11.805 -1.736 -5.571 597 H GLU 77 HN GLU 77 -14.295 -4.018 -4.958 598 HA GLU 77 HA GLU 77 -14.979 -5.711 -2.733 599 HB2 GLU 77 HB1 GLU 77 -14.449 -6.469 -5.613 600 HB3 GLU 77 HB2 GLU 77 -15.222 -7.475 -4.394 601 HG2 GLU 77 HG1 GLU 77 -17.074 -5.888 -4.259 602 HG3 GLU 77 HG2 GLU 77 -16.303 -4.890 -5.492 603 H VAL 78 HN VAL 78 -13.530 -6.613 -1.452 604 HA VAL 78 HA VAL 78 -10.753 -6.763 -2.257 605 HB VAL 78 HB VAL 78 -11.990 -7.571 0.370 606 HG11 VAL 78 HG11 VAL 78 -9.746 -8.392 0.007 607 HG12 VAL 78 HG12 VAL 78 -9.758 -7.135 1.245 608 HG13 VAL 78 HG13 VAL 78 -9.198 -6.763 -0.385 609 HG21 VAL 78 HG21 VAL 78 -11.390 -5.320 1.167 610 HG22 VAL 78 HG22 VAL 78 -12.612 -5.271 -0.103 611 HG23 VAL 78 HG23 VAL 78 -10.935 -4.874 -0.477 612 H ASN 79 HN ASN 79 -10.640 -8.501 -3.748 613 HA ASN 79 HA ASN 79 -11.861 -11.005 -3.300 614 HB2 ASN 79 HB2 ASN 79 -10.488 -11.806 -5.123 615 HB3 ASN 79 HB1 ASN 79 -11.055 -10.186 -5.512 616 HD21 ASN 79 HD21 ASN 79 -9.594 -8.458 -5.449 617 HD22 ASN 79 HD22 ASN 79 -7.889 -8.715 -5.527 618 H GLY 80 HN GLY 80 -8.730 -9.678 -2.442 619 HA2 GLY 80 HA2 GLY 80 -7.190 -11.764 -1.746 620 HA3 GLY 80 HA1 GLY 80 -7.292 -10.324 -0.748 621 H ASN 81 HN ASN 81 -10.156 -10.908 -0.118 622 HA ASN 81 HA ASN 81 -10.024 -13.389 1.370 623 HB2 ASN 81 HB2 ASN 81 -10.214 -12.496 3.523 624 HB3 ASN 81 HB1 ASN 81 -8.971 -11.504 2.771 625 HD21 ASN 81 HD21 ASN 81 -9.471 -9.386 2.161 626 HD22 ASN 81 HD22 ASN 81 -10.829 -8.552 2.826 627 H GLY 82 HN GLY 82 -11.663 -11.704 -0.695 628 HA2 GLY 82 HA2 GLY 82 -13.852 -11.709 -1.358 629 HA3 GLY 82 HA1 GLY 82 -14.161 -12.872 -0.078 630 H PHE 83 HN PHE 83 -12.749 -9.921 0.942 631 HA PHE 83 HA PHE 83 -15.124 -9.259 2.414 632 HB2 PHE 83 HB2 PHE 83 -13.016 -8.930 3.512 633 HB3 PHE 83 HB1 PHE 83 -12.431 -7.907 2.203 634 HD1 PHE 83 HD1 PHE 83 -15.458 -7.998 4.396 635 HD2 PHE 83 HD2 PHE 83 -12.275 -5.699 2.755 636 HE1 PHE 83 HE1 PHE 83 -16.287 -6.007 5.584 637 HE2 PHE 83 HE2 PHE 83 -13.098 -3.706 3.939 638 HZ PHE 83 HZ PHE 83 -15.106 -3.858 5.356 639 H ARG 84 HN ARG 84 -16.636 -8.775 0.806 640 HA ARG 84 HA ARG 84 -16.173 -6.695 -1.110 641 HB2 ARG 84 HB2 ARG 84 -17.783 -8.524 -1.524 642 HB3 ARG 84 HB1 ARG 84 -18.771 -7.950 -0.187 643 HG2 ARG 84 HG1 ARG 84 -19.219 -5.883 -1.361 644 HG3 ARG 84 HG2 ARG 84 -18.153 -6.376 -2.679 645 HD2 ARG 84 HD1 ARG 84 -20.483 -6.747 -3.272 646 HD3 ARG 84 HD2 ARG 84 -19.616 -8.277 -3.152 647 HE ARG 84 HE ARG 84 -20.731 -7.917 -0.683 648 HH11 ARG 84 HH11 ARG 84 -21.946 -8.047 -3.948 649 HH12 ARG 84 HH12 ARG 84 -23.483 -8.694 -3.485 650 HH21 ARG 84 HH21 ARG 84 -22.754 -8.771 -0.068 651 HH22 ARG 84 HH22 ARG 84 -23.943 -9.105 -1.281 652 H GLY 85 HN GLY 85 -15.865 -4.663 -0.406 653 HA2 GLY 85 HA1 GLY 85 -17.952 -3.357 1.066 654 HA3 GLY 85 HA2 GLY 85 -16.530 -3.617 2.061 655 H GLU 86 HN GLU 86 -17.971 -1.233 0.730 656 HA GLU 86 HA GLU 86 -16.049 -0.063 -1.018 657 HB2 GLU 86 HB1 GLU 86 -17.363 2.012 -0.688 658 HB3 GLU 86 HB2 GLU 86 -18.370 0.635 -1.115 659 HG2 GLU 86 HG2 GLU 86 -19.042 0.370 1.194 660 HG3 GLU 86 HG1 GLU 86 -17.974 1.689 1.676 661 H LEU 87 HN LEU 87 -14.586 1.630 -0.586 662 HA LEU 87 HA LEU 87 -14.164 2.560 2.097 663 HB2 LEU 87 HB1 LEU 87 -13.061 0.161 1.680 664 HB3 LEU 87 HB2 LEU 87 -11.782 1.155 1.011 665 HG LEU 87 HG LEU 87 -11.621 2.362 3.166 666 HD11 LEU 87 HD21 LEU 87 -13.908 2.056 3.941 667 HD12 LEU 87 HD22 LEU 87 -12.760 1.448 5.133 668 HD13 LEU 87 HD23 LEU 87 -13.636 0.320 4.099 669 HD21 LEU 87 HD11 LEU 87 -10.598 0.527 4.432 670 HD22 LEU 87 HD12 LEU 87 -10.153 0.476 2.726 671 HD23 LEU 87 HD13 LEU 87 -11.368 -0.638 3.353 672 H SER 88 HN SER 88 -12.740 4.319 2.207 673 HA SER 88 HA SER 88 -12.511 5.829 -0.185 674 HB2 SER 88 HB1 SER 88 -11.362 7.493 1.217 675 HB3 SER 88 HB2 SER 88 -12.819 6.895 2.009 676 HG SER 88 HG SER 88 -11.304 5.356 3.068 677 H ALA 89 HN ALA 89 -10.513 6.702 -1.080 678 HA ALA 89 HA ALA 89 -8.682 4.691 -1.768 679 HB1 ALA 89 HB1 ALA 89 -8.579 7.677 -2.081 680 HB2 ALA 89 HB2 ALA 89 -8.991 6.464 -3.293 681 HB3 ALA 89 HB3 ALA 89 -7.332 6.603 -2.712 682 H ASP 90 HN ASP 90 -8.901 6.418 1.090 683 HA ASP 90 HA ASP 90 -6.056 6.512 1.629 684 HB2 ASP 90 HB1 ASP 90 -7.475 8.321 2.472 685 HB3 ASP 90 HB2 ASP 90 -8.435 7.163 3.387 686 H ALA 91 HN ALA 91 -8.907 4.957 3.118 687 HA ALA 91 HA ALA 91 -7.279 3.150 4.637 688 HB1 ALA 91 HB1 ALA 91 -9.382 2.178 5.372 689 HB2 ALA 91 HB2 ALA 91 -10.253 3.091 4.141 690 HB3 ALA 91 HB3 ALA 91 -9.449 3.939 5.462 691 H ALA 92 HN ALA 92 -8.260 3.211 1.420 692 HA ALA 92 HA ALA 92 -8.300 0.296 1.158 693 HB1 ALA 92 HB1 ALA 92 -10.062 1.556 0.005 694 HB2 ALA 92 HB2 ALA 92 -9.033 0.685 -1.133 695 HB3 ALA 92 HB3 ALA 92 -8.833 2.424 -0.915 696 H GLY 93 HN GLY 93 -6.451 3.147 0.243 697 HA2 GLY 93 HA2 GLY 93 -4.644 1.940 -1.526 698 HA3 GLY 93 HA1 GLY 93 -4.304 3.364 -0.549 699 H ILE 94 HN ILE 94 -5.009 1.658 1.865 700 HA ILE 94 HA ILE 94 -2.361 0.926 2.566 701 HB ILE 94 HB ILE 94 -4.746 -0.183 4.002 702 HG12 ILE 94 HG11 ILE 94 -5.389 2.113 3.571 703 HG13 ILE 94 HG12 ILE 94 -4.921 1.957 5.260 704 HG21 ILE 94 HG21 ILE 94 -2.088 0.899 4.921 705 HG22 ILE 94 HG22 ILE 94 -2.544 -0.800 4.796 706 HG23 ILE 94 HG23 ILE 94 -3.343 0.244 5.972 707 HD11 ILE 94 HD11 ILE 94 -4.104 4.021 4.222 708 HD12 ILE 94 HD12 ILE 94 -3.162 3.056 3.085 709 HD13 ILE 94 HD13 ILE 94 -2.796 2.992 4.810 710 H VAL 95 HN VAL 95 -5.204 -0.892 1.551 711 HA VAL 95 HA VAL 95 -4.021 -3.464 1.869 712 HB VAL 95 HB VAL 95 -6.375 -2.744 0.119 713 HG11 VAL 95 HG21 VAL 95 -5.473 -4.992 -0.216 714 HG12 VAL 95 HG22 VAL 95 -7.068 -5.047 0.533 715 HG13 VAL 95 HG23 VAL 95 -5.625 -5.314 1.511 716 HG21 VAL 95 HG11 VAL 95 -6.712 -1.849 2.367 717 HG22 VAL 95 HG12 VAL 95 -6.360 -3.434 3.056 718 HG23 VAL 95 HG13 VAL 95 -7.792 -3.207 2.054 719 H ALA 96 HN ALA 96 -4.261 -1.147 -0.760 720 HA ALA 96 HA ALA 96 -3.489 -2.899 -2.847 721 HB1 ALA 96 HB1 ALA 96 -4.634 -0.768 -3.238 722 HB2 ALA 96 HB2 ALA 96 -3.136 -0.891 -4.161 723 HB3 ALA 96 HB3 ALA 96 -3.194 0.096 -2.701 724 H THR 97 HN THR 97 -1.626 -0.618 -0.848 725 HA THR 97 HA THR 97 0.849 -1.181 -2.154 726 HB THR 97 HB THR 97 0.642 0.944 -1.079 727 HG1 THR 97 HG1 THR 97 2.650 0.858 -0.412 728 HG21 THR 97 HG21 THR 97 -1.006 0.155 0.657 729 HG22 THR 97 HG22 THR 97 0.224 1.274 1.240 730 HG23 THR 97 HG23 THR 97 0.370 -0.452 1.578 731 H LEU 98 HN LEU 98 -0.663 -2.301 0.847 732 HA LEU 98 HA LEU 98 1.477 -3.753 1.884 733 HB2 LEU 98 HB2 LEU 98 -1.496 -4.013 2.122 734 HB3 LEU 98 HB1 LEU 98 -0.456 -5.230 2.838 735 HG LEU 98 HG LEU 98 -0.270 -2.285 3.475 736 HD11 LEU 98 HD11 LEU 98 -2.436 -3.122 4.175 737 HD12 LEU 98 HD12 LEU 98 -1.400 -2.858 5.579 738 HD13 LEU 98 HD13 LEU 98 -1.670 -4.493 4.978 739 HD21 LEU 98 HD21 LEU 98 1.049 -3.046 5.379 740 HD22 LEU 98 HD22 LEU 98 1.780 -3.560 3.859 741 HD23 LEU 98 HD23 LEU 98 0.880 -4.716 4.839 742 H PHE 99 HN PHE 99 -1.142 -4.877 -0.253 743 HA PHE 99 HA PHE 99 -0.324 -7.531 -0.486 744 HB2 PHE 99 HB2 PHE 99 -2.068 -5.705 -2.018 745 HB3 PHE 99 HB1 PHE 99 -1.455 -7.093 -2.911 746 HD1 PHE 99 HD1 PHE 99 -2.029 -9.363 -2.226 747 HD2 PHE 99 HD2 PHE 99 -3.670 -5.966 -0.255 748 HE1 PHE 99 HE1 PHE 99 -3.764 -10.790 -1.223 749 HE2 PHE 99 HE2 PHE 99 -5.407 -7.389 0.753 750 HZ PHE 99 HZ PHE 99 -5.455 -9.802 0.269 751 H ALA 100 HN ALA 100 0.881 -4.660 -2.046 752 HA ALA 100 HA ALA 100 2.249 -5.909 -4.184 753 HB1 ALA 100 HB1 ALA 100 2.893 -3.294 -2.826 754 HB2 ALA 100 HB2 ALA 100 1.727 -3.511 -4.132 755 HB3 ALA 100 HB3 ALA 100 3.440 -3.810 -4.422 756 H LEU 101 HN LEU 101 3.258 -4.992 -0.914 757 HA LEU 101 HA LEU 101 5.972 -5.597 -1.116 758 HB2 LEU 101 HB2 LEU 101 4.141 -5.855 1.270 759 HB3 LEU 101 HB1 LEU 101 5.891 -5.898 1.348 760 HG LEU 101 HG LEU 101 4.299 -3.533 0.351 761 HD11 LEU 101 HD21 LEU 101 4.840 -2.495 2.500 762 HD12 LEU 101 HD22 LEU 101 5.568 -4.006 3.048 763 HD13 LEU 101 HD23 LEU 101 3.840 -3.931 2.709 764 HD21 LEU 101 HD11 LEU 101 6.578 -3.698 -0.535 765 HD22 LEU 101 HD12 LEU 101 7.205 -3.803 1.109 766 HD23 LEU 101 HD13 LEU 101 6.399 -2.333 0.565 767 H GLY 102 HN GLY 102 3.230 -7.686 -0.318 768 HA2 GLY 102 HA2 GLY 102 4.795 -9.976 0.310 769 HA3 GLY 102 HA1 GLY 102 3.075 -9.962 -0.040 770 H GLN 103 HN GLN 103 4.044 -8.546 -2.694 771 HA GLN 103 HA GLN 103 4.210 -11.068 -4.141 772 HB2 GLN 103 HB1 GLN 103 2.589 -9.295 -4.821 773 HB3 GLN 103 HB2 GLN 103 3.952 -8.273 -5.258 774 HG2 GLN 103 HG1 GLN 103 4.588 -9.695 -7.021 775 HG3 GLN 103 HG2 GLN 103 3.545 -10.997 -6.450 776 HE21 GLN 103 HE21 GLN 103 3.687 -7.959 -8.124 777 HE22 GLN 103 HE22 GLN 103 2.092 -8.016 -8.786 778 H LEU 104 HN LEU 104 6.044 -8.037 -3.856 779 HA LEU 104 HA LEU 104 8.088 -8.729 -5.663 780 HB2 LEU 104 HB2 LEU 104 8.100 -6.859 -3.296 781 HB3 LEU 104 HB1 LEU 104 9.423 -6.991 -4.438 782 HG LEU 104 HG LEU 104 6.611 -6.112 -5.104 783 HD11 LEU 104 HD11 LEU 104 9.173 -4.534 -4.922 784 HD12 LEU 104 HD12 LEU 104 7.831 -4.463 -3.781 785 HD13 LEU 104 HD13 LEU 104 7.606 -3.914 -5.441 786 HD21 LEU 104 HD21 LEU 104 7.649 -7.271 -6.967 787 HD22 LEU 104 HD22 LEU 104 9.090 -6.263 -6.814 788 HD23 LEU 104 HD23 LEU 104 7.554 -5.540 -7.294 789 H ALA 105 HN ALA 105 7.619 -9.403 -2.260 790 HA ALA 105 HA ALA 105 10.226 -10.274 -1.647 791 HB1 ALA 105 HB1 ALA 105 9.211 -11.336 0.298 792 HB2 ALA 105 HB2 ALA 105 7.608 -11.119 -0.407 793 HB3 ALA 105 HB3 ALA 105 8.565 -9.712 0.059 794 H ALA 106 HN ALA 106 7.404 -11.944 -2.949 795 HA ALA 106 HA ALA 106 8.724 -14.523 -2.885 796 HB1 ALA 106 HB1 ALA 106 6.061 -13.743 -4.059 797 HB2 ALA 106 HB2 ALA 106 6.324 -14.343 -2.421 798 HB3 ALA 106 HB3 ALA 106 6.649 -15.386 -3.806 799 H GLU 107 HN GLU 107 8.739 -11.886 -4.965 800 HA GLU 107 HA GLU 107 8.942 -13.422 -7.416 801 HB2 GLU 107 HB2 GLU 107 7.851 -11.164 -7.302 802 HB3 GLU 107 HB1 GLU 107 9.439 -10.472 -6.998 803 HG2 GLU 107 HG1 GLU 107 10.213 -11.331 -9.161 804 HG3 GLU 107 HG2 GLU 107 8.603 -11.982 -9.465 805 H ILE 108 HN ILE 108 11.014 -12.748 -4.914 806 HA ILE 108 HA ILE 108 13.365 -12.707 -6.685 807 HB ILE 108 HB ILE 108 14.634 -11.990 -4.635 808 HG12 ILE 108 HG11 ILE 108 11.858 -11.486 -3.539 809 HG13 ILE 108 HG12 ILE 108 12.937 -12.764 -2.987 810 HG21 ILE 108 HG21 ILE 108 13.889 -9.655 -4.786 811 HG22 ILE 108 HG22 ILE 108 12.429 -10.186 -5.622 812 HG23 ILE 108 HG23 ILE 108 14.009 -10.416 -6.372 813 HD11 ILE 108 HD11 ILE 108 13.470 -9.809 -2.802 814 HD12 ILE 108 HD12 ILE 108 14.544 -11.092 -2.245 815 HD13 ILE 108 HD13 ILE 108 12.972 -10.865 -1.480 816 H ALA 109 HN ALA 109 12.291 -14.094 -3.568 817 HA ALA 109 HA ALA 109 13.102 -16.715 -4.218 818 HB1 ALA 109 HB1 ALA 109 15.353 -15.750 -4.049 819 HB2 ALA 109 HB2 ALA 109 15.064 -16.963 -2.802 820 HB3 ALA 109 HB3 ALA 109 15.006 -15.248 -2.394 821 H ASP 110 HN ASP 110 13.905 -17.503 -1.565 822 HA ASP 110 HA ASP 110 11.615 -16.736 0.097 823 HB2 ASP 110 HB2 ASP 110 11.192 -19.112 0.648 824 HB3 ASP 110 HB1 ASP 110 10.915 -18.766 -1.056 825 H THR 111 HN THR 111 12.181 -16.375 2.151 826 HA THR 111 HA THR 111 13.385 -16.276 4.080 827 HB THR 111 HB THR 111 14.695 -18.813 3.078 828 HG1 THR 111 HG1 THR 111 13.096 -19.860 4.200 829 HG21 THR 111 HG21 THR 111 16.009 -17.739 4.831 830 HG22 THR 111 HG22 THR 111 15.234 -19.198 5.448 831 HG23 THR 111 HG23 THR 111 14.575 -17.612 5.847 832 H ASP 112 HN ASP 112 14.933 -14.837 4.483 833 HA ASP 112 HA ASP 112 16.921 -13.722 4.448 834 HB2 ASP 112 HB2 ASP 112 17.706 -16.124 2.826 835 HB3 ASP 112 HB1 ASP 112 18.798 -14.761 3.023 836 H ALA 113 HN ALA 113 14.713 -13.776 2.367 837 HA ALA 113 HA ALA 113 15.737 -11.655 0.732 838 HB1 ALA 113 HB1 ALA 113 15.163 -12.759 -1.419 839 HB2 ALA 113 HB2 ALA 113 14.947 -14.272 -0.538 840 HB3 ALA 113 HB3 ALA 113 16.532 -13.501 -0.592 841 H ALA 114 HN ALA 114 13.139 -14.066 0.990 842 HA ALA 114 HA ALA 114 11.130 -12.058 0.327 843 HB1 ALA 114 HB1 ALA 114 10.981 -14.256 -0.723 844 HB2 ALA 114 HB2 ALA 114 9.574 -13.941 0.292 845 HB3 ALA 114 HB3 ALA 114 10.855 -15.010 0.866 846 H ASP 115 HN ASP 115 12.729 -12.783 3.011 847 HA ASP 115 HA ASP 115 10.399 -12.306 4.744 848 HB2 ASP 115 HB1 ASP 115 12.824 -14.017 5.317 849 HB3 ASP 115 HB2 ASP 115 11.634 -13.555 6.531 850 H ALA 116 HN ALA 116 13.105 -10.919 3.507 851 HA ALA 116 HA ALA 116 13.918 -9.568 5.957 852 HB1 ALA 116 HB1 ALA 116 15.710 -8.618 4.608 853 HB2 ALA 116 HB2 ALA 116 15.016 -9.340 3.157 854 HB3 ALA 116 HB3 ALA 116 15.659 -10.373 4.435 855 H LEU 117 HN LEU 117 13.005 -8.566 2.640 856 HA LEU 117 HA LEU 117 12.551 -5.876 3.351 857 HB2 LEU 117 HB2 LEU 117 11.750 -5.550 1.171 858 HB3 LEU 117 HB1 LEU 117 12.950 -6.814 1.023 859 HG LEU 117 HG LEU 117 11.225 -7.484 -0.387 860 HD11 LEU 117 HD11 LEU 117 10.597 -8.930 2.170 861 HD12 LEU 117 HD12 LEU 117 12.014 -9.249 1.172 862 HD13 LEU 117 HD13 LEU 117 10.397 -9.522 0.523 863 HD21 LEU 117 HD21 LEU 117 8.862 -7.518 0.216 864 HD22 LEU 117 HD22 LEU 117 9.538 -5.893 0.328 865 HD23 LEU 117 HD23 LEU 117 9.253 -6.832 1.793 866 H ILE 118 HN ILE 118 10.753 -8.682 3.913 867 HA ILE 118 HA ILE 118 8.119 -7.723 3.832 868 HB ILE 118 HB ILE 118 9.425 -9.930 5.413 869 HG12 ILE 118 HG12 ILE 118 9.180 -10.282 3.009 870 HG13 ILE 118 HG11 ILE 118 8.114 -11.361 3.902 871 HG21 ILE 118 HG21 ILE 118 7.570 -9.077 6.761 872 HG22 ILE 118 HG22 ILE 118 7.213 -10.680 6.117 873 HG23 ILE 118 HG23 ILE 118 6.484 -9.253 5.382 874 HD11 ILE 118 HD11 ILE 118 7.298 -8.817 2.520 875 HD12 ILE 118 HD12 ILE 118 6.226 -9.887 3.425 876 HD13 ILE 118 HD13 ILE 118 7.004 -10.459 1.948 877 H ASP 119 HN ASP 119 10.703 -7.126 5.997 878 HA ASP 119 HA ASP 119 9.536 -6.577 8.410 879 HB2 ASP 119 HB2 ASP 119 11.892 -5.590 6.945 880 HB3 ASP 119 HB1 ASP 119 11.301 -4.508 8.199 881 H ARG 120 HN ARG 120 9.728 -4.425 5.589 882 HA ARG 120 HA ARG 120 8.523 -2.181 6.713 883 HB2 ARG 120 HB2 ARG 120 8.602 -3.198 3.877 884 HB3 ARG 120 HB1 ARG 120 7.867 -1.660 4.305 885 HG2 ARG 120 HG2 ARG 120 10.059 -1.202 3.545 886 HG3 ARG 120 HG1 ARG 120 10.066 -0.985 5.295 887 HD2 ARG 120 HD1 ARG 120 11.096 -3.144 5.605 888 HD3 ARG 120 HD2 ARG 120 10.977 -3.485 3.878 889 HE ARG 120 HE ARG 120 12.441 -1.216 3.952 890 HH11 ARG 120 HH11 ARG 120 12.718 -4.284 5.579 891 HH12 ARG 120 HH12 ARG 120 14.445 -4.220 5.682 892 HH21 ARG 120 HH21 ARG 120 14.716 -1.122 4.082 893 HH22 ARG 120 HH22 ARG 120 15.582 -2.423 4.832 894 H TYR 121 HN TYR 121 7.083 -5.009 5.156 895 HA TYR 121 HA TYR 121 4.458 -4.148 4.946 896 HB2 TYR 121 HB2 TYR 121 5.322 -6.280 4.020 897 HB3 TYR 121 HB1 TYR 121 5.382 -6.942 5.650 898 HD1 TYR 121 HD1 TYR 121 3.212 -7.200 6.931 899 HD2 TYR 121 HD2 TYR 121 3.328 -6.328 2.770 900 HE1 TYR 121 HE1 TYR 121 0.883 -7.962 6.712 901 HE2 TYR 121 HE2 TYR 121 1.000 -7.084 2.538 902 HH TYR 121 HH TYR 121 -1.027 -7.637 5.205 903 H HIS 122 HN HIS 122 5.894 -5.988 7.640 904 HA HIS 122 HA HIS 122 3.677 -5.974 9.317 905 HB2 HIS 122 HB1 HIS 122 6.631 -6.077 9.902 906 HB3 HIS 122 HB2 HIS 122 5.426 -6.173 11.180 907 HD1 HIS 122 HD1 HIS 122 4.129 -8.359 11.426 908 HD2 HIS 122 HD2 HIS 122 6.751 -8.337 8.204 909 HE1 HIS 122 HE1 HIS 122 4.248 -10.744 10.642 910 HE2 HIS 122 HE2 HIS 122 5.884 -10.718 8.725 911 H PHE 123 HN PHE 123 6.026 -3.480 8.674 912 HA PHE 123 HA PHE 123 5.462 -1.850 10.921 913 HB2 PHE 123 HB1 PHE 123 6.645 -1.207 8.218 914 HB3 PHE 123 HB2 PHE 123 6.515 -0.032 9.522 915 HD1 PHE 123 HD1 PHE 123 7.183 -1.849 11.827 916 HD2 PHE 123 HD2 PHE 123 8.969 -1.367 7.994 917 HE1 PHE 123 HE1 PHE 123 9.337 -2.610 12.739 918 HE2 PHE 123 HE2 PHE 123 11.125 -2.131 8.899 919 HZ PHE 123 HZ PHE 123 11.311 -2.755 11.273 920 H LEU 124 HN LEU 124 4.473 -1.473 7.506 921 HA LEU 124 HA LEU 124 2.687 0.633 7.930 922 HB2 LEU 124 HB2 LEU 124 3.400 0.163 5.714 923 HB3 LEU 124 HB1 LEU 124 2.830 -1.492 5.805 924 HG LEU 124 HG LEU 124 0.501 -0.674 5.843 925 HD11 LEU 124 HD11 LEU 124 1.749 2.037 5.416 926 HD12 LEU 124 HD12 LEU 124 0.899 1.505 6.866 927 HD13 LEU 124 HD13 LEU 124 0.026 1.666 5.342 928 HD21 LEU 124 HD21 LEU 124 1.529 -1.293 3.730 929 HD22 LEU 124 HD22 LEU 124 2.154 0.344 3.538 930 HD23 LEU 124 HD23 LEU 124 0.415 0.055 3.510 931 H ARG 125 HN ARG 125 2.047 -2.846 7.664 932 HA ARG 125 HA ARG 125 -0.654 -2.944 7.965 933 HB2 ARG 125 HB2 ARG 125 0.700 -4.934 7.637 934 HB3 ARG 125 HB1 ARG 125 1.392 -4.763 9.244 935 HG2 ARG 125 HG1 ARG 125 -0.795 -5.171 10.239 936 HG3 ARG 125 HG2 ARG 125 -1.503 -5.321 8.630 937 HD2 ARG 125 HD2 ARG 125 -0.121 -7.252 8.164 938 HD3 ARG 125 HD1 ARG 125 0.695 -7.074 9.716 939 HE ARG 125 HE ARG 125 -2.051 -7.326 10.186 940 HH11 ARG 125 HH11 ARG 125 0.626 -9.217 9.006 941 HH12 ARG 125 HH12 ARG 125 -0.042 -10.727 9.529 942 HH21 ARG 125 HH21 ARG 125 -2.939 -9.308 10.880 943 HH22 ARG 125 HH22 ARG 125 -2.069 -10.779 10.594 944 H GLY 126 HN GLY 126 1.724 -2.385 10.515 945 HA2 GLY 126 HA1 GLY 126 -0.065 -2.589 12.695 946 HA3 GLY 126 HA2 GLY 126 1.490 -1.775 12.712 947 H PHE 127 HN PHE 127 0.832 0.112 10.610 948 HA PHE 127 HA PHE 127 -0.374 2.120 12.220 949 HB2 PHE 127 HB2 PHE 127 1.345 2.645 10.543 950 HB3 PHE 127 HB1 PHE 127 0.254 2.134 9.259 951 HD1 PHE 127 HD1 PHE 127 -0.162 4.321 12.257 952 HD2 PHE 127 HD2 PHE 127 -0.435 3.936 8.027 953 HE1 PHE 127 HE1 PHE 127 -1.056 6.608 12.111 954 HE2 PHE 127 HE2 PHE 127 -1.329 6.223 7.874 955 HZ PHE 127 HZ PHE 127 -1.640 7.562 9.918 956 H ALA 128 HN ALA 128 -1.537 -0.079 9.796 957 HA ALA 128 HA ALA 128 -3.936 1.210 9.113 958 HB1 ALA 128 HB1 ALA 128 -3.304 -1.739 9.157 959 HB2 ALA 128 HB2 ALA 128 -3.026 -0.634 7.810 960 HB3 ALA 128 HB3 ALA 128 -4.672 -0.993 8.332 961 H ALA 129 HN ALA 129 -2.949 -0.391 11.972 962 HA ALA 129 HA ALA 129 -5.571 -1.133 12.882 963 HB1 ALA 129 HB1 ALA 129 -2.988 -0.895 14.423 964 HB2 ALA 129 HB2 ALA 129 -3.575 -2.347 13.614 965 HB3 ALA 129 HB3 ALA 129 -4.465 -1.680 14.983 966 H GLY 130 HN GLY 130 -3.581 1.702 13.027 967 HA2 GLY 130 HA2 GLY 130 -5.055 2.902 15.216 968 HA3 GLY 130 HA1 GLY 130 -3.782 3.661 14.273 969 H HIS 131 HN HIS 131 -5.607 2.487 11.945 970 HA HIS 131 HA HIS 131 -6.882 5.003 11.405 971 HB2 HIS 131 HB2 HIS 131 -6.537 2.416 9.945 972 HB3 HIS 131 HB1 HIS 131 -7.786 3.536 9.404 973 HD1 HIS 131 HD1 HIS 131 -7.006 5.757 8.341 974 HD2 HIS 131 HD2 HIS 131 -3.907 3.225 9.459 975 HE1 HIS 131 HE1 HIS 131 -4.949 6.684 7.232 976 HE2 HIS 131 HE2 HIS 131 -3.116 5.059 7.816 977 HA PRO 132 HA PRO 132 -10.907 4.206 13.041 978 HB2 PRO 132 HB1 PRO 132 -12.472 5.471 11.187 979 HB3 PRO 132 HB2 PRO 132 -11.550 6.320 12.432 980 HG2 PRO 132 HG1 PRO 132 -10.869 5.853 9.554 981 HG3 PRO 132 HG2 PRO 132 -10.674 7.322 10.526 982 HD2 PRO 132 HD2 PRO 132 -8.605 5.684 9.994 983 HD3 PRO 132 HD1 PRO 132 -8.743 6.548 11.539 984 H GLU 133 HN GLU 133 -10.085 3.320 9.794 985 HA GLU 133 HA GLU 133 -12.359 1.464 9.654 986 HB2 GLU 133 HB2 GLU 133 -10.533 2.602 7.541 987 HB3 GLU 133 HB1 GLU 133 -11.608 1.246 7.224 988 HG2 GLU 133 HG1 GLU 133 -13.434 2.542 7.152 989 HG3 GLU 133 HG2 GLU 133 -12.883 3.572 8.470 990 H ALA 134 HN ALA 134 -9.667 1.285 11.100 991 HA ALA 134 HA ALA 134 -7.887 -0.485 10.117 992 HB1 ALA 134 HB1 ALA 134 -7.768 0.484 12.366 993 HB2 ALA 134 HB2 ALA 134 -7.491 -1.258 12.387 994 HB3 ALA 134 HB3 ALA 134 -9.048 -0.606 12.897 995 H ALA 135 HN ALA 135 -10.973 -1.382 11.648 996 HA ALA 135 HA ALA 135 -10.799 -4.108 11.510 997 HB1 ALA 135 HB1 ALA 135 -13.270 -2.450 11.029 998 HB2 ALA 135 HB2 ALA 135 -12.625 -2.909 12.604 999 HB3 ALA 135 HB3 ALA 135 -13.235 -4.147 11.507 1000 H ALA 136 HN ALA 136 -11.959 -1.924 8.952 1001 HA ALA 136 HA ALA 136 -12.496 -4.037 7.114 1002 HB1 ALA 136 HB1 ALA 136 -12.122 -1.098 6.565 1003 HB2 ALA 136 HB2 ALA 136 -13.642 -1.877 7.005 1004 HB3 ALA 136 HB3 ALA 136 -12.855 -2.279 5.479 1005 H ILE 137 HN ILE 137 -9.751 -1.875 7.612 1006 HA ILE 137 HA ILE 137 -8.357 -2.532 5.257 1007 HB ILE 137 HB ILE 137 -7.316 -1.481 7.882 1008 HG12 ILE 137 HG12 ILE 137 -7.952 -0.031 5.304 1009 HG13 ILE 137 HG11 ILE 137 -9.031 -0.095 6.694 1010 HG21 ILE 137 HG21 ILE 137 -5.517 -2.492 6.613 1011 HG22 ILE 137 HG22 ILE 137 -5.367 -0.735 6.581 1012 HG23 ILE 137 HG23 ILE 137 -5.996 -1.591 5.173 1013 HD11 ILE 137 HD11 ILE 137 -7.358 1.046 8.048 1014 HD12 ILE 137 HD12 ILE 137 -7.802 1.991 6.627 1015 HD13 ILE 137 HD13 ILE 137 -6.276 1.108 6.656 1016 H TYR 138 HN TYR 138 -7.870 -3.758 8.598 1017 HA TYR 138 HA TYR 138 -5.737 -5.463 7.873 1018 HB2 TYR 138 HB1 TYR 138 -5.654 -6.079 10.071 1019 HB3 TYR 138 HB2 TYR 138 -6.582 -4.594 10.231 1020 HD1 TYR 138 HD1 TYR 138 -9.040 -4.707 10.578 1021 HD2 TYR 138 HD2 TYR 138 -6.601 -8.190 10.623 1022 HE1 TYR 138 HE1 TYR 138 -10.838 -5.943 11.714 1023 HE2 TYR 138 HE2 TYR 138 -8.392 -9.438 11.756 1024 HH TYR 138 HH TYR 138 -11.568 -8.266 12.018 1025 H ARG 139 HN ARG 139 -9.221 -5.959 8.018 1026 HA ARG 139 HA ARG 139 -9.040 -8.788 7.618 1027 HB2 ARG 139 HB2 ARG 139 -11.420 -8.767 7.387 1028 HB3 ARG 139 HB1 ARG 139 -11.010 -7.627 8.661 1029 HG2 ARG 139 HG2 ARG 139 -11.220 -5.790 7.000 1030 HG3 ARG 139 HG1 ARG 139 -11.796 -6.980 5.832 1031 HD2 ARG 139 HD1 ARG 139 -13.074 -6.294 8.475 1032 HD3 ARG 139 HD2 ARG 139 -13.673 -5.852 6.876 1033 HE ARG 139 HE ARG 139 -13.557 -8.538 6.734 1034 HH11 ARG 139 HH11 ARG 139 -14.937 -6.364 9.083 1035 HH12 ARG 139 HH12 ARG 139 -16.204 -7.454 9.536 1036 HH21 ARG 139 HH21 ARG 139 -15.222 -9.978 7.326 1037 HH22 ARG 139 HH22 ARG 139 -16.366 -9.508 8.539 1038 H ALA 140 HN ALA 140 -9.193 -5.966 5.610 1039 HA ALA 140 HA ALA 140 -9.859 -7.192 3.163 1040 HB1 ALA 140 HB1 ALA 140 -9.001 -5.171 2.113 1041 HB2 ALA 140 HB2 ALA 140 -8.231 -4.698 3.627 1042 HB3 ALA 140 HB3 ALA 140 -9.989 -4.773 3.518 1043 H ILE 141 HN ILE 141 -6.824 -6.757 4.865 1044 HA ILE 141 HA ILE 141 -5.326 -7.907 2.640 1045 HB ILE 141 HB ILE 141 -3.322 -7.431 3.956 1046 HG12 ILE 141 HG11 ILE 141 -5.188 -6.262 6.032 1047 HG13 ILE 141 HG12 ILE 141 -4.404 -7.832 6.187 1048 HG21 ILE 141 HG21 ILE 141 -3.479 -4.985 3.956 1049 HG22 ILE 141 HG22 ILE 141 -5.233 -5.102 3.833 1050 HG23 ILE 141 HG23 ILE 141 -4.217 -5.686 2.516 1051 HD11 ILE 141 HD11 ILE 141 -3.213 -6.154 7.445 1052 HD12 ILE 141 HD12 ILE 141 -3.023 -5.167 5.996 1053 HD13 ILE 141 HD13 ILE 141 -2.219 -6.733 6.108 1054 H ASP 142 HN ASP 142 -6.908 -8.903 5.447 1055 HA ASP 142 HA ASP 142 -5.230 -11.033 6.271 1056 HB2 ASP 142 HB1 ASP 142 -6.974 -10.097 7.725 1057 HB3 ASP 142 HB2 ASP 142 -8.216 -10.687 6.625 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -14.802 4.577 24.543 2 H2 MET 1 HT2 MET 1 -15.050 4.991 26.165 3 H3 MET 1 HT3 MET 1 -14.665 3.397 25.748 4 HA MET 1 HA MET 1 -12.891 5.736 25.368 5 HB2 MET 1 HB2 MET 1 -11.566 4.794 27.204 6 HB3 MET 1 HB1 MET 1 -13.191 5.201 27.737 7 HG2 MET 1 HG2 MET 1 -13.779 2.771 27.371 8 HG3 MET 1 HG1 MET 1 -12.051 2.481 27.187 9 HE1 MET 1 HE1 MET 1 -14.041 4.037 31.047 10 HE2 MET 1 HE2 MET 1 -14.939 3.513 29.622 11 HE3 MET 1 HE3 MET 1 -13.959 4.977 29.556 12 H ASN 2 HN ASN 2 -10.524 4.676 25.406 13 HA ASN 2 HA ASN 2 -10.488 2.289 23.715 14 HB2 ASN 2 HB1 ASN 2 -8.943 3.347 22.123 15 HB3 ASN 2 HB2 ASN 2 -10.493 4.185 22.162 16 HD21 ASN 2 HD21 ASN 2 -10.621 6.233 23.067 17 HD22 ASN 2 HD22 ASN 2 -9.217 7.198 23.361 18 H THR 3 HN THR 3 -8.680 1.025 23.929 19 HA THR 3 HA THR 3 -6.743 1.897 25.973 20 HB THR 3 HB THR 3 -6.376 -0.490 26.470 21 HG1 THR 3 HG1 THR 3 -7.502 -2.048 25.425 22 HG21 THR 3 HG21 THR 3 -9.277 0.341 26.616 23 HG22 THR 3 HG22 THR 3 -8.020 0.769 27.776 24 HG23 THR 3 HG23 THR 3 -8.513 -0.914 27.591 25 H GLU 4 HN GLU 4 -7.150 1.027 22.726 26 HA GLU 4 HA GLU 4 -4.374 0.200 22.369 27 HB2 GLU 4 HB2 GLU 4 -5.031 -0.215 20.028 28 HB3 GLU 4 HB1 GLU 4 -6.058 -1.075 21.167 29 HG2 GLU 4 HG2 GLU 4 -7.796 0.596 20.895 30 HG3 GLU 4 HG1 GLU 4 -6.763 1.512 19.799 31 H GLU 5 HN GLU 5 -3.007 1.243 20.793 32 HA GLU 5 HA GLU 5 -3.652 3.736 19.621 33 HB2 GLU 5 HB2 GLU 5 -2.181 5.179 20.987 34 HB3 GLU 5 HB1 GLU 5 -3.559 4.573 21.895 35 HG2 GLU 5 HG2 GLU 5 -2.125 2.859 22.905 36 HG3 GLU 5 HG1 GLU 5 -0.746 3.508 22.018 37 H GLN 6 HN GLN 6 -1.977 4.562 18.322 38 HA GLN 6 HA GLN 6 0.466 2.935 18.188 39 HB2 GLN 6 HB2 GLN 6 0.285 3.155 15.658 40 HB3 GLN 6 HB1 GLN 6 -0.821 2.028 16.432 41 HG2 GLN 6 HG2 GLN 6 -2.645 3.503 16.197 42 HG3 GLN 6 HG1 GLN 6 -1.592 4.850 15.761 43 HE21 GLN 6 HE21 GLN 6 -0.832 5.026 13.688 44 HE22 GLN 6 HE22 GLN 6 -1.413 4.052 12.386 45 HA PRO 7 HA PRO 7 1.977 7.181 18.350 46 HB2 PRO 7 HB2 PRO 7 4.575 5.835 18.571 47 HB3 PRO 7 HB1 PRO 7 3.815 6.976 19.687 48 HG2 PRO 7 HG1 PRO 7 4.050 4.376 20.293 49 HG3 PRO 7 HG2 PRO 7 2.622 5.312 20.773 50 HD2 PRO 7 HD2 PRO 7 2.955 3.404 18.481 51 HD3 PRO 7 HD1 PRO 7 1.598 3.572 19.616 52 H VAL 8 HN VAL 8 2.144 4.970 16.019 53 HA VAL 8 HA VAL 8 4.147 6.357 14.392 54 HB VAL 8 HB VAL 8 2.740 3.722 13.946 55 HG11 VAL 8 HG11 VAL 8 4.931 4.981 12.300 56 HG12 VAL 8 HG12 VAL 8 3.231 4.909 11.836 57 HG13 VAL 8 HG13 VAL 8 4.159 3.420 12.017 58 HG21 VAL 8 HG21 VAL 8 4.920 2.726 14.348 59 HG22 VAL 8 HG22 VAL 8 4.419 3.693 15.736 60 HG23 VAL 8 HG23 VAL 8 5.621 4.324 14.609 61 H THR 9 HN THR 9 3.630 7.490 12.600 62 HA THR 9 HA THR 9 0.985 7.283 11.414 63 HB THR 9 HB THR 9 0.607 9.740 11.506 64 HG1 THR 9 HG1 THR 9 2.383 9.980 13.650 65 HG21 THR 9 HG21 THR 9 -0.163 9.824 13.824 66 HG22 THR 9 HG22 THR 9 0.829 8.420 14.213 67 HG23 THR 9 HG23 THR 9 -0.527 8.259 13.098 68 H ALA 10 HN ALA 10 0.939 7.882 9.270 69 HA ALA 10 HA ALA 10 3.485 8.180 7.970 70 HB1 ALA 10 HB1 ALA 10 0.700 8.181 6.808 71 HB2 ALA 10 HB2 ALA 10 1.743 6.771 6.996 72 HB3 ALA 10 HB3 ALA 10 2.203 8.067 5.892 73 H SER 11 HN SER 11 3.409 9.823 5.985 74 HA SER 11 HA SER 11 2.194 12.363 6.641 75 HB2 SER 11 HB2 SER 11 4.187 12.412 8.070 76 HB3 SER 11 HB1 SER 11 5.208 12.074 6.672 77 HG SER 11 HG SER 11 3.564 14.213 6.280 78 H LEU 12 HN LEU 12 2.404 13.941 4.952 79 HA LEU 12 HA LEU 12 2.722 12.695 2.349 80 HB2 LEU 12 HB2 LEU 12 0.783 14.202 3.027 81 HB3 LEU 12 HB1 LEU 12 1.910 15.539 2.905 82 HG LEU 12 HG LEU 12 2.273 15.009 0.525 83 HD11 LEU 12 HD21 LEU 12 0.816 13.391 -0.592 84 HD12 LEU 12 HD22 LEU 12 0.144 12.919 0.969 85 HD13 LEU 12 HD23 LEU 12 1.844 12.613 0.611 86 HD21 LEU 12 HD11 LEU 12 -0.621 15.347 1.300 87 HD22 LEU 12 HD12 LEU 12 0.072 15.716 -0.280 88 HD23 LEU 12 HD13 LEU 12 0.573 16.635 1.140 89 H VAL 13 HN VAL 13 4.529 12.802 1.217 90 HA VAL 13 HA VAL 13 6.662 14.597 2.014 91 HB VAL 13 HB VAL 13 6.647 12.581 -0.236 92 HG11 VAL 13 HG21 VAL 13 8.409 14.262 -0.408 93 HG12 VAL 13 HG22 VAL 13 9.080 12.677 -0.020 94 HG13 VAL 13 HG23 VAL 13 8.924 13.901 1.241 95 HG21 VAL 13 HG11 VAL 13 7.752 11.059 1.324 96 HG22 VAL 13 HG12 VAL 13 6.141 11.496 1.892 97 HG23 VAL 13 HG13 VAL 13 7.564 12.242 2.619 98 H ALA 14 HN ALA 14 7.671 16.114 0.659 99 HA ALA 14 HA ALA 14 5.942 17.605 -1.012 100 HB1 ALA 14 HB1 ALA 14 7.857 19.028 -1.434 101 HB2 ALA 14 HB2 ALA 14 8.945 17.797 -0.792 102 HB3 ALA 14 HB3 ALA 14 7.794 18.600 0.276 103 H GLU 15 HN GLU 15 5.882 17.845 -3.236 104 HA GLU 15 HA GLU 15 6.322 15.574 -4.795 105 HB2 GLU 15 HB2 GLU 15 5.996 17.184 -6.749 106 HB3 GLU 15 HB1 GLU 15 4.694 17.072 -5.575 107 HG2 GLU 15 HG1 GLU 15 4.958 19.356 -6.094 108 HG3 GLU 15 HG2 GLU 15 5.627 19.122 -4.481 109 H ALA 16 HN ALA 16 8.406 18.304 -4.140 110 HA ALA 16 HA ALA 16 10.253 17.805 -6.242 111 HB1 ALA 16 HB1 ALA 16 10.706 19.300 -3.665 112 HB2 ALA 16 HB2 ALA 16 10.005 19.988 -5.129 113 HB3 ALA 16 HB3 ALA 16 11.673 19.413 -5.136 114 H GLN 17 HN GLN 17 9.725 16.289 -3.214 115 HA GLN 17 HA GLN 17 12.392 15.043 -3.341 116 HB2 GLN 17 HB2 GLN 17 10.537 15.357 -0.973 117 HB3 GLN 17 HB1 GLN 17 12.074 14.502 -0.943 118 HG2 GLN 17 HG2 GLN 17 11.723 17.426 -1.567 119 HG3 GLN 17 HG1 GLN 17 12.231 16.764 -0.014 120 HE21 GLN 17 HE21 GLN 17 13.116 17.195 -3.367 121 HE22 GLN 17 HE22 GLN 17 14.815 16.970 -3.149 122 H ARG 18 HN ARG 18 9.098 14.537 -3.789 123 HA ARG 18 HA ARG 18 8.803 11.854 -2.979 124 HB2 ARG 18 HB2 ARG 18 7.376 13.605 -4.958 125 HB3 ARG 18 HB1 ARG 18 6.957 11.905 -4.796 126 HG2 ARG 18 HG2 ARG 18 6.208 12.182 -2.595 127 HG3 ARG 18 HG1 ARG 18 6.995 13.755 -2.439 128 HD2 ARG 18 HD1 ARG 18 5.305 14.843 -3.440 129 HD3 ARG 18 HD2 ARG 18 5.057 13.567 -4.628 130 HE ARG 18 HE ARG 18 4.166 12.957 -1.942 131 HH11 ARG 18 HH11 ARG 18 3.324 14.198 -5.088 132 HH12 ARG 18 HH12 ARG 18 1.628 13.907 -4.891 133 HH21 ARG 18 HH21 ARG 18 1.937 12.569 -1.676 134 HH22 ARG 18 HH22 ARG 18 0.841 12.981 -2.952 135 H LEU 19 HN LEU 19 10.038 13.343 -5.894 136 HA LEU 19 HA LEU 19 10.044 11.063 -7.540 137 HB2 LEU 19 HB2 LEU 19 11.901 12.345 -8.752 138 HB3 LEU 19 HB1 LEU 19 10.309 13.069 -8.669 139 HG LEU 19 HG LEU 19 11.156 14.432 -6.709 140 HD11 LEU 19 HD11 LEU 19 13.077 13.117 -6.090 141 HD12 LEU 19 HD12 LEU 19 13.602 14.727 -6.582 142 HD13 LEU 19 HD13 LEU 19 13.797 13.361 -7.681 143 HD21 LEU 19 HD21 LEU 19 12.270 16.057 -8.134 144 HD22 LEU 19 HD22 LEU 19 10.875 15.354 -8.952 145 HD23 LEU 19 HD23 LEU 19 12.503 14.824 -9.373 146 H ASP 20 HN ASP 20 12.066 11.984 -4.912 147 HA ASP 20 HA ASP 20 14.000 9.882 -5.644 148 HB2 ASP 20 HB2 ASP 20 14.935 12.169 -5.355 149 HB3 ASP 20 HB1 ASP 20 14.374 12.154 -3.686 150 H PHE 21 HN PHE 21 11.531 10.715 -3.481 151 HA PHE 21 HA PHE 21 12.357 9.382 -1.142 152 HB2 PHE 21 HB2 PHE 21 10.388 11.005 -1.461 153 HB3 PHE 21 HB1 PHE 21 9.488 9.599 -2.026 154 HD1 PHE 21 HD2 PHE 21 9.056 7.710 -0.493 155 HD2 PHE 21 HD1 PHE 21 10.822 11.345 0.839 156 HE1 PHE 21 HE2 PHE 21 8.519 7.114 1.832 157 HE2 PHE 21 HE1 PHE 21 10.290 10.754 3.168 158 HZ PHE 21 HZ PHE 21 9.136 8.636 3.665 159 H LEU 22 HN LEU 22 10.485 8.286 -3.946 160 HA LEU 22 HA LEU 22 9.902 5.715 -2.964 161 HB2 LEU 22 HB2 LEU 22 9.481 7.181 -5.369 162 HB3 LEU 22 HB1 LEU 22 10.134 5.611 -5.794 163 HG LEU 22 HG LEU 22 7.666 5.653 -5.795 164 HD11 LEU 22 HD11 LEU 22 8.945 3.908 -3.696 165 HD12 LEU 22 HD12 LEU 22 8.772 3.548 -5.414 166 HD13 LEU 22 HD13 LEU 22 7.343 3.648 -4.386 167 HD21 LEU 22 HD21 LEU 22 7.368 7.304 -4.002 168 HD22 LEU 22 HD22 LEU 22 7.936 6.117 -2.828 169 HD23 LEU 22 HD23 LEU 22 6.437 5.835 -3.713 170 HA PRO 23 HA PRO 23 13.763 4.141 -5.392 171 HB2 PRO 23 HB2 PRO 23 15.643 5.955 -6.117 172 HB3 PRO 23 HB1 PRO 23 14.288 5.511 -7.162 173 HG2 PRO 23 HG2 PRO 23 14.602 7.894 -5.372 174 HG3 PRO 23 HG1 PRO 23 13.980 7.815 -7.032 175 HD2 PRO 23 HD2 PRO 23 12.352 7.956 -4.876 176 HD3 PRO 23 HD1 PRO 23 11.904 7.078 -6.353 177 H THR 24 HN THR 24 13.879 6.659 -3.036 178 HA THR 24 HA THR 24 16.470 5.905 -1.997 179 HB THR 24 HB THR 24 14.429 7.963 -1.230 180 HG1 THR 24 HG1 THR 24 17.179 8.408 -1.604 181 HG21 THR 24 HG21 THR 24 15.265 6.982 0.870 182 HG22 THR 24 HG22 THR 24 15.801 8.649 0.646 183 HG23 THR 24 HG23 THR 24 16.918 7.314 0.349 184 H TYR 25 HN TYR 25 13.080 5.480 -1.037 185 HA TYR 25 HA TYR 25 13.995 3.971 1.309 186 HB2 TYR 25 HB2 TYR 25 11.310 5.170 0.643 187 HB3 TYR 25 HB1 TYR 25 11.605 4.154 2.053 188 HD1 TYR 25 HD2 TYR 25 13.015 4.955 3.890 189 HD2 TYR 25 HD1 TYR 25 12.135 7.437 0.549 190 HE1 TYR 25 HE2 TYR 25 13.789 6.919 5.152 191 HE2 TYR 25 HE1 TYR 25 12.911 9.406 1.800 192 HH TYR 25 HH TYR 25 13.212 10.106 4.132 193 H PHE 26 HN PHE 26 12.269 3.596 -1.697 194 HA PHE 26 HA PHE 26 11.559 0.843 -1.005 195 HB2 PHE 26 HB2 PHE 26 10.180 2.764 -2.413 196 HB3 PHE 26 HB1 PHE 26 10.880 1.789 -3.701 197 HD1 PHE 26 HD1 PHE 26 9.008 1.403 -0.503 198 HD2 PHE 26 HD2 PHE 26 9.739 -0.070 -4.427 199 HE1 PHE 26 HE1 PHE 26 7.216 -0.256 -0.208 200 HE2 PHE 26 HE2 PHE 26 7.949 -1.733 -4.140 201 HZ PHE 26 HZ PHE 26 6.684 -1.826 -2.029 202 H GLY 27 HN GLY 27 13.418 2.742 -3.316 203 HA2 GLY 27 HA2 GLY 27 15.680 1.560 -3.664 204 HA3 GLY 27 HA1 GLY 27 14.671 0.278 -4.320 205 HA PRO 28 HA PRO 28 15.541 4.039 -7.330 206 HB2 PRO 28 HB1 PRO 28 17.844 3.083 -8.523 207 HB3 PRO 28 HB2 PRO 28 17.805 4.340 -7.284 208 HG2 PRO 28 HG1 PRO 28 18.374 1.419 -7.008 209 HG3 PRO 28 HG2 PRO 28 19.150 2.795 -6.202 210 HD2 PRO 28 HD1 PRO 28 17.339 1.263 -4.942 211 HD3 PRO 28 HD2 PRO 28 17.438 3.013 -4.653 212 H ARG 29 HN ARG 29 15.737 0.593 -7.316 213 HA ARG 29 HA ARG 29 14.960 0.437 -10.125 214 HB2 ARG 29 HB1 ARG 29 16.670 -1.111 -9.593 215 HB3 ARG 29 HB2 ARG 29 15.862 -1.617 -8.116 216 HG2 ARG 29 HG2 ARG 29 15.697 -3.329 -9.825 217 HG3 ARG 29 HG1 ARG 29 14.103 -2.680 -9.434 218 HD2 ARG 29 HD2 ARG 29 14.284 -1.198 -11.422 219 HD3 ARG 29 HD1 ARG 29 15.794 -2.009 -11.838 220 HE ARG 29 HE ARG 29 13.483 -3.731 -11.508 221 HH11 ARG 29 HH11 ARG 29 15.508 -1.933 -13.703 222 HH12 ARG 29 HH12 ARG 29 15.028 -2.845 -15.095 223 HH21 ARG 29 HH21 ARG 29 12.848 -4.935 -13.334 224 HH22 ARG 29 HH22 ARG 29 13.516 -4.551 -14.886 225 H LEU 30 HN LEU 30 13.736 -0.382 -6.870 226 HA LEU 30 HA LEU 30 11.385 -1.641 -7.749 227 HB2 LEU 30 HB2 LEU 30 12.026 -0.276 -5.139 228 HB3 LEU 30 HB1 LEU 30 10.639 -1.302 -5.411 229 HG LEU 30 HG LEU 30 12.068 -2.757 -4.349 230 HD11 LEU 30 HD21 LEU 30 12.849 -3.063 -7.247 231 HD12 LEU 30 HD22 LEU 30 11.422 -3.753 -6.474 232 HD13 LEU 30 HD23 LEU 30 13.031 -4.290 -5.992 233 HD21 LEU 30 HD11 LEU 30 14.428 -2.748 -4.448 234 HD22 LEU 30 HD12 LEU 30 13.928 -1.059 -4.346 235 HD23 LEU 30 HD13 LEU 30 14.441 -1.737 -5.892 236 H MET 31 HN MET 31 12.193 1.719 -7.178 237 HA MET 31 HA MET 31 9.978 3.048 -6.671 238 HB2 MET 31 HB2 MET 31 10.634 4.699 -8.542 239 HB3 MET 31 HB1 MET 31 11.800 4.371 -7.267 240 HG2 MET 31 HG2 MET 31 13.286 3.676 -8.738 241 HG3 MET 31 HG1 MET 31 12.160 2.490 -9.385 242 HE1 MET 31 HE1 MET 31 12.959 2.607 -11.886 243 HE2 MET 31 HE2 MET 31 14.287 3.590 -11.269 244 HE3 MET 31 HE3 MET 31 13.381 4.121 -12.686 245 H MET 32 HN MET 32 10.447 1.357 -9.729 246 HA MET 32 HA MET 32 7.703 2.079 -10.491 247 HB2 MET 32 HB2 MET 32 8.289 1.424 -12.750 248 HB3 MET 32 HB1 MET 32 9.480 2.566 -12.143 249 HG2 MET 32 HG1 MET 32 11.031 0.758 -11.705 250 HG3 MET 32 HG2 MET 32 9.831 -0.420 -12.234 251 HE1 MET 32 HE1 MET 32 11.491 -1.516 -13.920 252 HE2 MET 32 HE2 MET 32 12.769 -0.401 -13.438 253 HE3 MET 32 HE3 MET 32 12.398 -0.631 -15.147 254 H ARG 33 HN ARG 33 9.861 -0.610 -9.864 255 HA ARG 33 HA ARG 33 8.124 -2.691 -10.651 256 HB2 ARG 33 HB2 ARG 33 10.287 -2.819 -8.545 257 HB3 ARG 33 HB1 ARG 33 9.621 -4.164 -9.459 258 HG2 ARG 33 HG2 ARG 33 11.168 -1.880 -10.662 259 HG3 ARG 33 HG1 ARG 33 11.850 -3.450 -10.237 260 HD2 ARG 33 HD1 ARG 33 11.397 -3.572 -12.540 261 HD3 ARG 33 HD2 ARG 33 10.095 -4.465 -11.758 262 HE ARG 33 HE ARG 33 9.226 -1.844 -12.076 263 HH11 ARG 33 HH11 ARG 33 10.149 -4.542 -14.079 264 HH12 ARG 33 HH12 ARG 33 9.108 -4.090 -15.388 265 HH21 ARG 33 HH21 ARG 33 7.853 -1.244 -13.792 266 HH22 ARG 33 HH22 ARG 33 7.803 -2.216 -15.225 267 H GLY 34 HN GLY 34 8.121 -0.633 -7.899 268 HA2 GLY 34 HA2 GLY 34 6.389 -2.509 -6.429 269 HA3 GLY 34 HA1 GLY 34 7.276 -1.177 -5.704 270 H GLU 35 HN GLU 35 6.617 0.865 -7.496 271 HA GLU 35 HA GLU 35 4.208 1.793 -6.463 272 HB2 GLU 35 HB1 GLU 35 5.946 3.218 -7.528 273 HB3 GLU 35 HB2 GLU 35 5.474 2.578 -9.096 274 HG2 GLU 35 HG1 GLU 35 3.261 3.540 -8.847 275 HG3 GLU 35 HG2 GLU 35 3.686 4.138 -7.244 276 H ALA 36 HN ALA 36 4.911 -0.034 -9.373 277 HA ALA 36 HA ALA 36 2.228 0.107 -10.390 278 HB1 ALA 36 HB1 ALA 36 4.484 -1.738 -11.167 279 HB2 ALA 36 HB2 ALA 36 4.152 -0.161 -11.884 280 HB3 ALA 36 HB3 ALA 36 2.993 -1.478 -12.073 281 H LEU 37 HN LEU 37 3.991 -1.971 -8.250 282 HA LEU 37 HA LEU 37 2.304 -4.246 -8.414 283 HB2 LEU 37 HB2 LEU 37 4.697 -3.584 -7.175 284 HB3 LEU 37 HB1 LEU 37 3.601 -3.881 -5.843 285 HG LEU 37 HG LEU 37 4.854 -5.889 -6.444 286 HD11 LEU 37 HD21 LEU 37 2.577 -6.081 -5.531 287 HD12 LEU 37 HD22 LEU 37 2.992 -7.423 -6.597 288 HD13 LEU 37 HD23 LEU 37 1.941 -6.130 -7.175 289 HD21 LEU 37 HD11 LEU 37 3.464 -5.699 -9.110 290 HD22 LEU 37 HD12 LEU 37 4.525 -7.001 -8.570 291 HD23 LEU 37 HD13 LEU 37 5.175 -5.381 -8.823 292 H VAL 38 HN VAL 38 2.330 -1.403 -6.315 293 HA VAL 38 HA VAL 38 0.350 -2.377 -4.516 294 HB VAL 38 HB VAL 38 0.300 -0.231 -3.535 295 HG11 VAL 38 HG21 VAL 38 2.667 0.331 -3.264 296 HG12 VAL 38 HG22 VAL 38 3.062 -0.645 -4.679 297 HG13 VAL 38 HG23 VAL 38 2.409 -1.413 -3.231 298 HG21 VAL 38 HG11 VAL 38 -0.113 1.028 -5.628 299 HG22 VAL 38 HG12 VAL 38 1.607 0.907 -6.005 300 HG23 VAL 38 HG13 VAL 38 1.076 1.795 -4.576 301 H TYR 39 HN TYR 39 0.233 -0.302 -7.379 302 HA TYR 39 HA TYR 39 -2.588 0.146 -7.180 303 HB2 TYR 39 HB1 TYR 39 -2.179 1.725 -8.718 304 HB3 TYR 39 HB2 TYR 39 -0.480 1.279 -8.604 305 HD1 TYR 39 HD1 TYR 39 0.514 -0.248 -10.269 306 HD2 TYR 39 HD2 TYR 39 -3.470 1.183 -10.658 307 HE1 TYR 39 HE1 TYR 39 0.519 -0.905 -12.638 308 HE2 TYR 39 HE2 TYR 39 -3.481 0.529 -13.029 309 HH TYR 39 HH TYR 39 -1.092 -1.467 -14.395 310 H ALA 40 HN ALA 40 -0.585 -2.327 -8.467 311 HA ALA 40 HA ALA 40 -2.272 -3.375 -10.459 312 HB1 ALA 40 HB1 ALA 40 -0.253 -4.795 -8.724 313 HB2 ALA 40 HB2 ALA 40 0.062 -4.026 -10.279 314 HB3 ALA 40 HB3 ALA 40 -0.978 -5.448 -10.192 315 H TRP 41 HN TRP 41 -2.047 -3.984 -6.982 316 HA TRP 41 HA TRP 41 -4.051 -6.028 -6.990 317 HB2 TRP 41 HB2 TRP 41 -2.753 -4.429 -4.785 318 HB3 TRP 41 HB1 TRP 41 -3.997 -5.636 -4.476 319 HD1 TRP 41 HD1 TRP 41 -0.327 -5.300 -5.458 320 HE1 TRP 41 HE1 TRP 41 0.785 -7.616 -5.302 321 HE3 TRP 41 HE3 TRP 41 -4.498 -8.157 -4.684 322 HZ2 TRP 41 HZ2 TRP 41 0.000 -10.297 -4.903 323 HZ3 TRP 41 HZ3 TRP 41 -4.230 -10.589 -4.426 324 HH2 TRP 41 HH2 TRP 41 -2.027 -11.636 -4.535 325 H MET 42 HN MET 42 -4.017 -2.559 -6.601 326 HA MET 42 HA MET 42 -6.529 -2.224 -5.396 327 HB2 MET 42 HB2 MET 42 -4.937 -0.412 -5.484 328 HB3 MET 42 HB1 MET 42 -4.979 -0.407 -7.241 329 HG2 MET 42 HG1 MET 42 -6.267 1.421 -6.130 330 HG3 MET 42 HG2 MET 42 -7.178 0.448 -7.281 331 HE1 MET 42 HE1 MET 42 -6.535 1.245 -3.491 332 HE2 MET 42 HE2 MET 42 -6.117 -0.465 -3.598 333 HE3 MET 42 HE3 MET 42 -7.548 0.037 -2.698 334 H ARG 43 HN ARG 43 -5.620 -2.158 -8.840 335 HA ARG 43 HA ARG 43 -8.218 -1.708 -9.823 336 HB2 ARG 43 HB2 ARG 43 -7.314 -2.440 -11.987 337 HB3 ARG 43 HB1 ARG 43 -6.238 -1.307 -11.178 338 HG2 ARG 43 HG1 ARG 43 -4.880 -3.229 -10.400 339 HG3 ARG 43 HG2 ARG 43 -5.919 -4.297 -11.344 340 HD2 ARG 43 HD2 ARG 43 -5.312 -2.998 -13.373 341 HD3 ARG 43 HD1 ARG 43 -4.173 -2.076 -12.391 342 HE ARG 43 HE ARG 43 -3.612 -4.794 -12.062 343 HH11 ARG 43 HH11 ARG 43 -3.484 -2.348 -14.541 344 HH12 ARG 43 HH12 ARG 43 -2.169 -3.092 -15.386 345 HH21 ARG 43 HH21 ARG 43 -1.881 -5.780 -13.169 346 HH22 ARG 43 HH22 ARG 43 -1.258 -5.043 -14.607 347 H ARG 44 HN ARG 44 -6.775 -4.509 -8.502 348 HA ARG 44 HA ARG 44 -8.457 -6.402 -9.888 349 HB2 ARG 44 HB2 ARG 44 -6.578 -6.673 -7.540 350 HB3 ARG 44 HB1 ARG 44 -7.500 -8.019 -8.199 351 HG2 ARG 44 HG2 ARG 44 -6.395 -7.672 -10.375 352 HG3 ARG 44 HG1 ARG 44 -5.422 -6.390 -9.647 353 HD2 ARG 44 HD2 ARG 44 -4.237 -8.556 -9.761 354 HD3 ARG 44 HD1 ARG 44 -4.422 -7.954 -8.112 355 HE ARG 44 HE ARG 44 -6.576 -9.621 -8.582 356 HH11 ARG 44 HH11 ARG 44 -3.104 -9.894 -8.500 357 HH12 ARG 44 HH12 ARG 44 -3.118 -11.547 -7.983 358 HH21 ARG 44 HH21 ARG 44 -6.605 -11.795 -7.901 359 HH22 ARG 44 HH22 ARG 44 -5.108 -12.627 -7.642 360 H LEU 45 HN LEU 45 -8.700 -4.411 -7.142 361 HA LEU 45 HA LEU 45 -10.751 -6.015 -5.857 362 HB2 LEU 45 HB2 LEU 45 -9.939 -3.238 -5.071 363 HB3 LEU 45 HB1 LEU 45 -10.693 -4.472 -4.092 364 HG LEU 45 HG LEU 45 -7.881 -4.664 -5.157 365 HD11 LEU 45 HD21 LEU 45 -8.047 -2.818 -3.590 366 HD12 LEU 45 HD22 LEU 45 -7.175 -4.169 -2.864 367 HD13 LEU 45 HD23 LEU 45 -8.855 -3.863 -2.420 368 HD21 LEU 45 HD11 LEU 45 -7.662 -6.486 -3.551 369 HD22 LEU 45 HD12 LEU 45 -8.942 -6.819 -4.718 370 HD23 LEU 45 HD13 LEU 45 -9.352 -6.288 -3.086 371 H CYS 46 HN CYS 46 -10.561 -3.418 -8.115 372 HA CYS 46 HA CYS 46 -13.478 -3.096 -7.942 373 HB2 CYS 46 HB2 CYS 46 -12.400 -1.061 -7.119 374 HB3 CYS 46 HB1 CYS 46 -11.452 -0.951 -8.599 375 HG CYS 46 HG CYS 46 -13.505 0.989 -8.589 376 H GLU 47 HN GLU 47 -14.596 -3.157 -9.839 377 HA GLU 47 HA GLU 47 -13.176 -4.165 -12.153 378 HB2 GLU 47 HB1 GLU 47 -15.372 -4.583 -13.088 379 HB3 GLU 47 HB2 GLU 47 -15.332 -5.157 -11.426 380 HG2 GLU 47 HG2 GLU 47 -16.504 -3.160 -10.690 381 HG3 GLU 47 HG1 GLU 47 -16.512 -2.543 -12.343 382 H ARG 48 HN ARG 48 -14.487 -1.215 -11.014 383 HA ARG 48 HA ARG 48 -14.129 0.024 -13.660 384 HB2 ARG 48 HB2 ARG 48 -15.652 1.817 -12.811 385 HB3 ARG 48 HB1 ARG 48 -16.421 0.244 -12.962 386 HG2 ARG 48 HG2 ARG 48 -16.181 -0.112 -10.559 387 HG3 ARG 48 HG1 ARG 48 -15.401 1.463 -10.405 388 HD2 ARG 48 HD1 ARG 48 -18.210 0.978 -11.388 389 HD3 ARG 48 HD2 ARG 48 -17.770 1.550 -9.780 390 HE ARG 48 HE ARG 48 -16.732 3.202 -11.878 391 HH11 ARG 48 HH11 ARG 48 -19.526 2.536 -9.905 392 HH12 ARG 48 HH12 ARG 48 -20.180 4.133 -10.068 393 HH21 ARG 48 HH21 ARG 48 -17.586 5.304 -12.097 394 HH22 ARG 48 HH22 ARG 48 -19.078 5.705 -11.314 395 H TYR 49 HN TYR 49 -11.846 -0.351 -12.426 396 HA TYR 49 HA TYR 49 -11.215 2.183 -11.073 397 HB2 TYR 49 HB2 TYR 49 -10.918 -0.248 -9.957 398 HB3 TYR 49 HB1 TYR 49 -9.368 -0.119 -10.783 399 HD1 TYR 49 HD2 TYR 49 -8.001 2.041 -10.349 400 HD2 TYR 49 HD1 TYR 49 -11.208 0.730 -7.889 401 HE1 TYR 49 HE2 TYR 49 -7.151 3.434 -8.507 402 HE2 TYR 49 HE1 TYR 49 -10.372 2.105 -6.042 403 HH TYR 49 HH TYR 49 -8.278 3.137 -5.308 404 H ASN 50 HN ASN 50 -10.465 3.438 -12.683 405 HA ASN 50 HA ASN 50 -8.756 2.376 -14.757 406 HB2 ASN 50 HB2 ASN 50 -9.798 5.147 -14.174 407 HB3 ASN 50 HB1 ASN 50 -8.685 4.808 -15.495 408 HD21 ASN 50 HD21 ASN 50 -11.905 4.372 -14.274 409 HD22 ASN 50 HD22 ASN 50 -12.607 3.814 -15.750 410 H GLY 51 HN GLY 51 -8.326 5.169 -12.561 411 HA2 GLY 51 HA2 GLY 51 -5.753 4.239 -11.689 412 HA3 GLY 51 HA1 GLY 51 -5.629 5.537 -12.866 413 H ALA 52 HN ALA 52 -4.517 6.130 -10.580 414 HA ALA 52 HA ALA 52 -6.063 8.312 -9.592 415 HB1 ALA 52 HB1 ALA 52 -7.127 6.500 -8.334 416 HB2 ALA 52 HB2 ALA 52 -6.267 7.617 -7.275 417 HB3 ALA 52 HB3 ALA 52 -5.559 6.050 -7.666 418 H TYR 53 HN TYR 53 -4.904 9.474 -7.788 419 HA TYR 53 HA TYR 53 -2.043 9.415 -8.336 420 HB2 TYR 53 HB2 TYR 53 -3.948 11.437 -7.264 421 HB3 TYR 53 HB1 TYR 53 -2.265 11.548 -6.760 422 HD1 TYR 53 HD1 TYR 53 -0.544 11.302 -8.800 423 HD2 TYR 53 HD2 TYR 53 -4.565 12.652 -9.120 424 HE1 TYR 53 HE1 TYR 53 0.021 12.469 -10.892 425 HE2 TYR 53 HE2 TYR 53 -4.014 13.820 -11.215 426 HH TYR 53 HH TYR 53 -1.107 13.300 -12.900 427 H TRP 54 HN TRP 54 -1.207 7.766 -7.151 428 HA TRP 54 HA TRP 54 -1.894 7.304 -4.422 429 HB2 TRP 54 HB2 TRP 54 0.388 6.230 -6.089 430 HB3 TRP 54 HB1 TRP 54 -0.065 5.637 -4.492 431 HD1 TRP 54 HD1 TRP 54 -1.644 5.976 -8.019 432 HE1 TRP 54 HE1 TRP 54 -3.291 4.026 -8.339 433 HE3 TRP 54 HE3 TRP 54 -1.285 3.843 -3.387 434 HZ2 TRP 54 HZ2 TRP 54 -4.300 1.865 -6.829 435 HZ3 TRP 54 HZ3 TRP 54 -2.624 1.836 -2.906 436 HH2 TRP 54 HH2 TRP 54 -4.100 0.870 -4.594 437 H HIS 55 HN HIS 55 -1.504 9.347 -3.481 438 HA HIS 55 HA HIS 55 0.873 10.755 -3.428 439 HB2 HIS 55 HB2 HIS 55 -1.116 10.432 -1.171 440 HB3 HIS 55 HB1 HIS 55 0.098 11.702 -1.288 441 HD1 HIS 55 HD1 HIS 55 -0.358 13.635 -2.923 442 HD2 HIS 55 HD2 HIS 55 -3.346 10.749 -2.845 443 HE1 HIS 55 HE1 HIS 55 -2.304 14.650 -4.149 444 HE2 HIS 55 HE2 HIS 55 -4.129 12.920 -4.015 445 H TYR 56 HN TYR 56 2.816 10.428 -2.572 446 HA TYR 56 HA TYR 56 3.427 7.958 -1.278 447 HB2 TYR 56 HB2 TYR 56 5.186 10.406 -1.556 448 HB3 TYR 56 HB1 TYR 56 5.719 8.769 -1.195 449 HD1 TYR 56 HD2 TYR 56 3.451 7.842 -3.405 450 HD2 TYR 56 HD1 TYR 56 6.945 10.277 -3.366 451 HE1 TYR 56 HE2 TYR 56 3.765 7.426 -5.808 452 HE2 TYR 56 HE1 TYR 56 7.263 9.865 -5.766 453 HH TYR 56 HH TYR 56 6.642 8.245 -7.456 454 H TYR 57 HN TYR 57 3.582 7.496 0.827 455 HA TYR 57 HA TYR 57 3.350 9.727 2.738 456 HB2 TYR 57 HB1 TYR 57 2.031 7.036 2.714 457 HB3 TYR 57 HB2 TYR 57 2.305 7.868 4.240 458 HD1 TYR 57 HD2 TYR 57 1.259 10.105 4.623 459 HD2 TYR 57 HD1 TYR 57 0.269 7.692 1.262 460 HE1 TYR 57 HE2 TYR 57 -0.791 11.421 4.290 461 HE2 TYR 57 HE1 TYR 57 -1.784 9.003 0.918 462 HH TYR 57 HH TYR 57 -2.359 11.962 2.485 463 H ALA 58 HN ALA 58 4.639 9.756 4.509 464 HA ALA 58 HA ALA 58 6.757 7.718 4.623 465 HB1 ALA 58 HB1 ALA 58 8.165 9.430 5.645 466 HB2 ALA 58 HB2 ALA 58 6.834 10.583 5.561 467 HB3 ALA 58 HB3 ALA 58 7.557 9.962 4.078 468 H LEU 59 HN LEU 59 6.204 6.267 6.133 469 HA LEU 59 HA LEU 59 4.793 7.051 8.531 470 HB2 LEU 59 HB2 LEU 59 5.718 4.456 7.365 471 HB3 LEU 59 HB1 LEU 59 5.193 4.530 9.037 472 HG LEU 59 HG LEU 59 3.421 5.589 6.862 473 HD11 LEU 59 HD11 LEU 59 4.080 3.363 6.123 474 HD12 LEU 59 HD12 LEU 59 2.398 3.385 6.648 475 HD13 LEU 59 HD13 LEU 59 3.639 2.698 7.696 476 HD21 LEU 59 HD21 LEU 59 2.827 6.030 9.183 477 HD22 LEU 59 HD22 LEU 59 2.895 4.305 9.541 478 HD23 LEU 59 HD23 LEU 59 1.670 4.929 8.436 479 H SER 60 HN SER 60 5.566 6.860 10.643 480 HA SER 60 HA SER 60 8.372 7.433 10.928 481 HB2 SER 60 HB1 SER 60 6.187 7.170 13.006 482 HB3 SER 60 HB2 SER 60 7.821 7.757 13.320 483 HG SER 60 HG SER 60 6.710 9.575 12.961 484 H ASP 61 HN ASP 61 6.762 4.603 10.612 485 HA ASP 61 HA ASP 61 8.377 3.153 12.580 486 HB2 ASP 61 HB2 ASP 61 5.887 2.734 12.347 487 HB3 ASP 61 HB1 ASP 61 6.238 2.006 10.783 488 H GLY 62 HN GLY 62 8.483 4.083 9.367 489 HA2 GLY 62 HA1 GLY 62 10.303 3.651 7.938 490 HA3 GLY 62 HA2 GLY 62 10.658 2.200 8.864 491 H GLY 63 HN GLY 63 7.370 2.486 8.101 492 HA2 GLY 63 HA2 GLY 63 7.547 0.232 6.302 493 HA3 GLY 63 HA1 GLY 63 6.074 1.002 6.872 494 H PHE 64 HN PHE 64 6.141 3.489 6.045 495 HA PHE 64 HA PHE 64 5.818 4.884 4.285 496 HB2 PHE 64 HB2 PHE 64 7.867 3.171 2.863 497 HB3 PHE 64 HB1 PHE 64 7.379 4.806 2.424 498 HD1 PHE 64 HD2 PHE 64 7.819 6.664 4.114 499 HD2 PHE 64 HD1 PHE 64 9.630 2.820 4.339 500 HE1 PHE 64 HE2 PHE 64 9.577 7.582 5.570 501 HE2 PHE 64 HE1 PHE 64 11.391 3.731 5.796 502 HZ PHE 64 HZ PHE 64 11.366 6.116 6.413 503 H TYR 65 HN TYR 65 4.008 4.891 3.145 504 HA TYR 65 HA TYR 65 3.473 2.688 1.298 505 HB2 TYR 65 HB2 TYR 65 1.477 2.032 2.217 506 HB3 TYR 65 HB1 TYR 65 2.346 2.477 3.679 507 HD1 TYR 65 HD2 TYR 65 1.906 4.769 4.696 508 HD2 TYR 65 HD1 TYR 65 -0.536 3.090 1.639 509 HE1 TYR 65 HE2 TYR 65 0.103 6.334 5.282 510 HE2 TYR 65 HE1 TYR 65 -2.343 4.652 2.219 511 HH TYR 65 HH TYR 65 -1.875 7.342 4.237 512 H MET 66 HN MET 66 1.535 3.149 -0.089 513 HA MET 66 HA MET 66 1.289 6.037 -0.651 514 HB2 MET 66 HB2 MET 66 1.286 3.817 -2.704 515 HB3 MET 66 HB1 MET 66 1.218 5.545 -3.020 516 HG2 MET 66 HG2 MET 66 3.481 5.704 -1.909 517 HG3 MET 66 HG1 MET 66 3.530 3.944 -1.973 518 HE1 MET 66 HE1 MET 66 3.142 3.450 -5.921 519 HE2 MET 66 HE2 MET 66 1.810 3.680 -4.788 520 HE3 MET 66 HE3 MET 66 3.151 2.616 -4.367 521 H ALA 67 HN ALA 67 -0.724 6.776 -1.312 522 HA ALA 67 HA ALA 67 -2.928 4.839 -1.325 523 HB1 ALA 67 HB1 ALA 67 -4.271 6.236 0.143 524 HB2 ALA 67 HB2 ALA 67 -2.938 7.380 0.299 525 HB3 ALA 67 HB3 ALA 67 -2.780 5.747 0.947 526 HA PRO 68 HA PRO 68 -4.127 7.124 -4.927 527 HB2 PRO 68 HB2 PRO 68 -6.763 6.391 -4.999 528 HB3 PRO 68 HB1 PRO 68 -5.441 5.359 -5.552 529 HG2 PRO 68 HG2 PRO 68 -6.910 5.329 -2.945 530 HG3 PRO 68 HG1 PRO 68 -6.388 3.967 -3.954 531 HD2 PRO 68 HD2 PRO 68 -5.031 4.713 -1.750 532 HD3 PRO 68 HD1 PRO 68 -4.210 4.069 -3.186 533 H ASP 69 HN ASP 69 -5.566 8.855 -5.585 534 HA ASP 69 HA ASP 69 -6.444 10.457 -3.289 535 HB2 ASP 69 HB2 ASP 69 -4.708 11.444 -4.722 536 HB3 ASP 69 HB1 ASP 69 -5.777 11.305 -6.114 537 H LEU 70 HN LEU 70 -8.514 9.389 -3.100 538 HA LEU 70 HA LEU 70 -10.456 10.447 -5.030 539 HB2 LEU 70 HB2 LEU 70 -10.392 7.604 -4.015 540 HB3 LEU 70 HB1 LEU 70 -11.767 8.322 -4.822 541 HG LEU 70 HG LEU 70 -10.671 7.030 -6.451 542 HD11 LEU 70 HD11 LEU 70 -9.813 8.696 -8.068 543 HD12 LEU 70 HD12 LEU 70 -9.853 9.906 -6.786 544 HD13 LEU 70 HD13 LEU 70 -11.350 9.151 -7.333 545 HD21 LEU 70 HD21 LEU 70 -8.558 6.767 -5.189 546 HD22 LEU 70 HD22 LEU 70 -8.071 8.367 -5.749 547 HD23 LEU 70 HD23 LEU 70 -8.326 7.066 -6.912 548 H ALA 71 HN ALA 71 -11.704 11.770 -3.899 549 HA ALA 71 HA ALA 71 -12.135 11.347 -1.059 550 HB1 ALA 71 HB1 ALA 71 -13.164 13.557 -2.835 551 HB2 ALA 71 HB2 ALA 71 -11.647 13.601 -1.939 552 HB3 ALA 71 HB3 ALA 71 -13.181 13.528 -1.071 553 H GLY 72 HN GLY 72 -13.745 10.088 -0.360 554 HA2 GLY 72 HA2 GLY 72 -16.303 10.176 -0.363 555 HA3 GLY 72 HA1 GLY 72 -16.129 9.796 -2.070 556 H ARG 73 HN ARG 73 -17.327 7.882 -1.799 557 HA ARG 73 HA ARG 73 -15.974 5.754 -0.294 558 HB2 ARG 73 HB2 ARG 73 -18.870 6.055 -1.102 559 HB3 ARG 73 HB1 ARG 73 -18.200 4.577 -0.427 560 HG2 ARG 73 HG2 ARG 73 -19.251 5.704 1.351 561 HG3 ARG 73 HG1 ARG 73 -17.517 5.939 1.578 562 HD2 ARG 73 HD2 ARG 73 -17.658 8.162 0.640 563 HD3 ARG 73 HD1 ARG 73 -19.369 7.931 0.279 564 HE ARG 73 HE ARG 73 -19.055 7.520 3.003 565 HH11 ARG 73 HH11 ARG 73 -18.634 10.115 0.717 566 HH12 ARG 73 HH12 ARG 73 -18.983 11.360 1.869 567 HH21 ARG 73 HH21 ARG 73 -19.518 9.151 4.526 568 HH22 ARG 73 HH22 ARG 73 -19.485 10.812 4.036 569 H LEU 74 HN LEU 74 -14.879 4.391 -1.499 570 HA LEU 74 HA LEU 74 -15.616 4.048 -4.319 571 HB2 LEU 74 HB1 LEU 74 -13.053 3.408 -2.861 572 HB3 LEU 74 HB2 LEU 74 -13.344 3.051 -4.552 573 HG LEU 74 HG LEU 74 -13.200 5.793 -3.299 574 HD11 LEU 74 HD11 LEU 74 -11.396 4.344 -5.231 575 HD12 LEU 74 HD12 LEU 74 -11.033 4.750 -3.553 576 HD13 LEU 74 HD13 LEU 74 -11.226 6.032 -4.749 577 HD21 LEU 74 HD21 LEU 74 -13.415 6.628 -5.606 578 HD22 LEU 74 HD22 LEU 74 -14.867 5.796 -5.052 579 HD23 LEU 74 HD23 LEU 74 -13.752 4.985 -6.150 580 H GLU 75 HN GLU 75 -16.783 2.308 -4.794 581 HA GLU 75 HA GLU 75 -17.159 0.145 -3.027 582 HB2 GLU 75 HB2 GLU 75 -18.834 0.823 -4.694 583 HB3 GLU 75 HB1 GLU 75 -17.740 0.356 -5.989 584 HG2 GLU 75 HG1 GLU 75 -17.846 -1.946 -5.298 585 HG3 GLU 75 HG2 GLU 75 -18.853 -1.511 -3.920 586 H ILE 76 HN ILE 76 -15.135 -0.671 -2.504 587 HA ILE 76 HA ILE 76 -13.652 -1.967 -4.687 588 HB ILE 76 HB ILE 76 -12.804 -0.731 -2.114 589 HG12 ILE 76 HG12 ILE 76 -12.614 0.295 -4.452 590 HG13 ILE 76 HG11 ILE 76 -11.167 0.323 -3.448 591 HG21 ILE 76 HG21 ILE 76 -10.578 -1.950 -2.400 592 HG22 ILE 76 HG22 ILE 76 -11.487 -3.114 -3.366 593 HG23 ILE 76 HG23 ILE 76 -11.914 -2.848 -1.676 594 HD11 ILE 76 HD11 ILE 76 -10.208 -1.482 -4.671 595 HD12 ILE 76 HD12 ILE 76 -10.773 -0.273 -5.824 596 HD13 ILE 76 HD13 ILE 76 -11.709 -1.746 -5.559 597 H GLU 77 HN GLU 77 -14.336 -4.010 -4.878 598 HA GLU 77 HA GLU 77 -15.067 -5.569 -2.564 599 HB2 GLU 77 HB1 GLU 77 -15.495 -7.387 -4.185 600 HB3 GLU 77 HB2 GLU 77 -16.337 -5.902 -4.603 601 HG2 GLU 77 HG2 GLU 77 -14.632 -5.406 -6.278 602 HG3 GLU 77 HG1 GLU 77 -13.791 -6.897 -5.859 603 H VAL 78 HN VAL 78 -13.691 -6.641 -1.362 604 HA VAL 78 HA VAL 78 -10.935 -6.901 -2.167 605 HB VAL 78 HB VAL 78 -12.280 -7.823 0.374 606 HG11 VAL 78 HG21 VAL 78 -10.128 -8.847 0.010 607 HG12 VAL 78 HG22 VAL 78 -10.025 -7.663 1.313 608 HG13 VAL 78 HG23 VAL 78 -9.402 -7.269 -0.289 609 HG21 VAL 78 HG11 VAL 78 -11.471 -5.715 1.353 610 HG22 VAL 78 HG12 VAL 78 -12.652 -5.444 0.071 611 HG23 VAL 78 HG13 VAL 78 -10.935 -5.193 -0.245 612 H ASN 79 HN ASN 79 -10.905 -8.523 -3.824 613 HA ASN 79 HA ASN 79 -12.163 -11.048 -3.348 614 HB2 ASN 79 HB1 ASN 79 -10.720 -11.682 -5.409 615 HB3 ASN 79 HB2 ASN 79 -12.034 -10.532 -5.613 616 HD21 ASN 79 HD21 ASN 79 -9.198 -9.480 -3.959 617 HD22 ASN 79 HD22 ASN 79 -8.553 -8.520 -5.242 618 H GLY 80 HN GLY 80 -10.037 -10.015 -1.464 619 HA2 GLY 80 HA1 GLY 80 -7.992 -12.097 -1.744 620 HA3 GLY 80 HA2 GLY 80 -7.940 -10.739 -0.625 621 H ASN 81 HN ASN 81 -10.860 -11.362 -0.054 622 HA ASN 81 HA ASN 81 -10.790 -13.892 1.312 623 HB2 ASN 81 HB1 ASN 81 -11.119 -13.016 3.544 624 HB3 ASN 81 HB2 ASN 81 -9.609 -12.389 2.894 625 HD21 ASN 81 HD21 ASN 81 -9.463 -10.219 2.340 626 HD22 ASN 81 HD22 ASN 81 -10.607 -9.054 2.901 627 H GLY 82 HN GLY 82 -12.381 -11.958 -0.598 628 HA2 GLY 82 HA1 GLY 82 -14.575 -11.919 -1.251 629 HA3 GLY 82 HA2 GLY 82 -14.929 -13.046 0.045 630 H PHE 83 HN PHE 83 -13.383 -10.087 0.965 631 HA PHE 83 HA PHE 83 -15.840 -9.298 2.301 632 HB2 PHE 83 HB2 PHE 83 -13.854 -9.296 3.664 633 HB3 PHE 83 HB1 PHE 83 -13.013 -8.260 2.515 634 HD1 PHE 83 HD2 PHE 83 -16.175 -8.242 4.504 635 HD2 PHE 83 HD1 PHE 83 -12.831 -6.045 3.054 636 HE1 PHE 83 HE2 PHE 83 -16.960 -6.252 5.720 637 HE2 PHE 83 HE1 PHE 83 -13.610 -4.051 4.266 638 HZ PHE 83 HZ PHE 83 -15.677 -4.152 5.602 639 H ARG 84 HN ARG 84 -17.161 -8.380 0.790 640 HA ARG 84 HA ARG 84 -16.175 -6.322 -0.981 641 HB2 ARG 84 HB2 ARG 84 -17.979 -7.805 -1.731 642 HB3 ARG 84 HB1 ARG 84 -18.999 -7.257 -0.407 643 HG2 ARG 84 HG2 ARG 84 -18.994 -4.994 -1.348 644 HG3 ARG 84 HG1 ARG 84 -17.994 -5.563 -2.686 645 HD2 ARG 84 HD1 ARG 84 -19.750 -7.078 -3.392 646 HD3 ARG 84 HD2 ARG 84 -20.742 -6.605 -2.014 647 HE ARG 84 HE ARG 84 -20.067 -4.330 -3.542 648 HH11 ARG 84 HH11 ARG 84 -22.091 -7.164 -3.631 649 HH12 ARG 84 HH12 ARG 84 -23.290 -6.434 -4.646 650 HH21 ARG 84 HH21 ARG 84 -21.641 -3.360 -4.877 651 HH22 ARG 84 HH22 ARG 84 -23.033 -4.272 -5.354 652 H GLY 85 HN GLY 85 -15.738 -4.354 -0.203 653 HA2 GLY 85 HA1 GLY 85 -17.705 -3.074 1.525 654 HA3 GLY 85 HA2 GLY 85 -16.113 -3.297 2.228 655 H GLU 86 HN GLU 86 -17.968 -1.030 0.997 656 HA GLU 86 HA GLU 86 -16.247 0.253 -0.890 657 HB2 GLU 86 HB2 GLU 86 -18.481 1.441 0.772 658 HB3 GLU 86 HB1 GLU 86 -17.751 2.167 -0.653 659 HG2 GLU 86 HG1 GLU 86 -18.594 0.335 -2.024 660 HG3 GLU 86 HG2 GLU 86 -19.319 -0.401 -0.597 661 H LEU 87 HN LEU 87 -14.364 1.165 -0.391 662 HA LEU 87 HA LEU 87 -14.098 2.464 2.240 663 HB2 LEU 87 HB1 LEU 87 -12.587 0.267 1.148 664 HB3 LEU 87 HB2 LEU 87 -11.535 1.637 1.447 665 HG LEU 87 HG LEU 87 -12.283 1.699 3.790 666 HD11 LEU 87 HD11 LEU 87 -13.829 -0.795 3.096 667 HD12 LEU 87 HD12 LEU 87 -14.532 0.782 3.449 668 HD13 LEU 87 HD13 LEU 87 -13.650 -0.089 4.702 669 HD21 LEU 87 HD21 LEU 87 -11.173 -0.344 4.524 670 HD22 LEU 87 HD22 LEU 87 -10.305 0.404 3.183 671 HD23 LEU 87 HD23 LEU 87 -11.316 -1.013 2.898 672 H SER 88 HN SER 88 -12.656 4.232 2.359 673 HA SER 88 HA SER 88 -12.656 5.859 0.007 674 HB2 SER 88 HB2 SER 88 -11.496 7.518 1.446 675 HB3 SER 88 HB1 SER 88 -12.952 6.876 2.207 676 HG SER 88 HG SER 88 -11.695 5.606 3.520 677 H ALA 89 HN ALA 89 -10.672 6.924 -0.823 678 HA ALA 89 HA ALA 89 -8.823 5.060 -1.758 679 HB1 ALA 89 HB1 ALA 89 -8.760 8.059 -1.644 680 HB2 ALA 89 HB2 ALA 89 -9.098 7.016 -3.023 681 HB3 ALA 89 HB3 ALA 89 -7.463 7.117 -2.377 682 H ASP 90 HN ASP 90 -8.987 6.594 1.271 683 HA ASP 90 HA ASP 90 -6.158 6.450 1.834 684 HB2 ASP 90 HB1 ASP 90 -7.503 8.227 2.846 685 HB3 ASP 90 HB2 ASP 90 -8.513 7.026 3.645 686 H ALA 91 HN ALA 91 -9.064 4.880 3.201 687 HA ALA 91 HA ALA 91 -7.564 2.932 4.628 688 HB1 ALA 91 HB1 ALA 91 -9.794 3.664 5.335 689 HB2 ALA 91 HB2 ALA 91 -9.707 1.913 5.137 690 HB3 ALA 91 HB3 ALA 91 -10.489 2.903 3.903 691 H ALA 92 HN ALA 92 -8.221 3.205 1.358 692 HA ALA 92 HA ALA 92 -8.233 0.303 0.932 693 HB1 ALA 92 HB1 ALA 92 -8.856 0.835 -1.383 694 HB2 ALA 92 HB2 ALA 92 -8.785 2.554 -1.001 695 HB3 ALA 92 HB3 ALA 92 -9.989 1.528 -0.223 696 H GLY 93 HN GLY 93 -6.381 3.219 0.397 697 HA2 GLY 93 HA2 GLY 93 -4.509 2.183 -1.445 698 HA3 GLY 93 HA1 GLY 93 -4.253 3.567 -0.392 699 H ILE 94 HN ILE 94 -4.999 1.498 1.831 700 HA ILE 94 HA ILE 94 -2.250 0.867 2.467 701 HB ILE 94 HB ILE 94 -4.742 0.063 3.969 702 HG12 ILE 94 HG11 ILE 94 -3.127 2.268 5.030 703 HG13 ILE 94 HG12 ILE 94 -3.909 2.642 3.495 704 HG21 ILE 94 HG21 ILE 94 -1.866 0.279 4.849 705 HG22 ILE 94 HG22 ILE 94 -2.752 -1.218 4.560 706 HG23 ILE 94 HG23 ILE 94 -3.232 -0.150 5.878 707 HD11 ILE 94 HD11 ILE 94 -6.058 1.919 4.490 708 HD12 ILE 94 HD12 ILE 94 -5.340 3.332 5.265 709 HD13 ILE 94 HD13 ILE 94 -5.231 1.749 6.038 710 H VAL 95 HN VAL 95 -5.228 -1.049 2.080 711 HA VAL 95 HA VAL 95 -4.007 -3.571 2.192 712 HB VAL 95 HB VAL 95 -6.555 -2.793 0.761 713 HG11 VAL 95 HG21 VAL 95 -5.783 -4.981 0.070 714 HG12 VAL 95 HG22 VAL 95 -7.195 -5.145 1.114 715 HG13 VAL 95 HG23 VAL 95 -5.584 -5.471 1.753 716 HG21 VAL 95 HG11 VAL 95 -7.682 -3.479 2.833 717 HG22 VAL 95 HG12 VAL 95 -6.605 -2.106 3.089 718 HG23 VAL 95 HG13 VAL 95 -6.110 -3.721 3.597 719 H ALA 96 HN ALA 96 -4.211 -1.220 -0.323 720 HA ALA 96 HA ALA 96 -3.765 -3.020 -2.510 721 HB1 ALA 96 HB1 ALA 96 -4.886 -0.861 -2.810 722 HB2 ALA 96 HB2 ALA 96 -3.469 -1.017 -3.847 723 HB3 ALA 96 HB3 ALA 96 -3.387 -0.032 -2.387 724 H THR 97 HN THR 97 -1.712 -0.761 -0.689 725 HA THR 97 HA THR 97 0.648 -1.454 -2.154 726 HB THR 97 HB THR 97 0.573 0.742 -1.219 727 HG1 THR 97 HG1 THR 97 2.617 -0.476 -1.126 728 HG21 THR 97 HG21 THR 97 0.341 1.233 1.109 729 HG22 THR 97 HG22 THR 97 0.413 -0.479 1.535 730 HG23 THR 97 HG23 THR 97 -0.981 0.156 0.661 731 H LEU 98 HN LEU 98 -0.793 -2.456 0.898 732 HA LEU 98 HA LEU 98 1.408 -3.862 1.931 733 HB2 LEU 98 HB2 LEU 98 -1.554 -4.052 2.352 734 HB3 LEU 98 HB1 LEU 98 -0.477 -5.212 3.105 735 HG LEU 98 HG LEU 98 -0.350 -2.220 3.504 736 HD11 LEU 98 HD11 LEU 98 -1.203 -2.710 5.753 737 HD12 LEU 98 HD12 LEU 98 -1.412 -4.401 5.296 738 HD13 LEU 98 HD13 LEU 98 -2.360 -3.148 4.496 739 HD21 LEU 98 HD21 LEU 98 1.820 -3.303 3.743 740 HD22 LEU 98 HD22 LEU 98 1.125 -4.469 4.869 741 HD23 LEU 98 HD23 LEU 98 1.210 -2.763 5.307 742 H PHE 99 HN PHE 99 -1.365 -5.011 0.011 743 HA PHE 99 HA PHE 99 -0.625 -7.696 -0.143 744 HB2 PHE 99 HB1 PHE 99 -2.427 -5.899 -1.621 745 HB3 PHE 99 HB2 PHE 99 -1.845 -7.274 -2.555 746 HD1 PHE 99 HD1 PHE 99 -2.336 -9.564 -1.827 747 HD2 PHE 99 HD2 PHE 99 -3.979 -6.180 0.163 748 HE1 PHE 99 HE1 PHE 99 -4.017 -11.013 -0.764 749 HE2 PHE 99 HE2 PHE 99 -5.662 -7.624 1.232 750 HZ PHE 99 HZ PHE 99 -5.683 -10.042 0.768 751 H ALA 100 HN ALA 100 0.611 -4.913 -1.776 752 HA ALA 100 HA ALA 100 1.912 -6.337 -3.897 753 HB1 ALA 100 HB1 ALA 100 2.987 -4.211 -4.401 754 HB2 ALA 100 HB2 ALA 100 2.405 -3.541 -2.877 755 HB3 ALA 100 HB3 ALA 100 1.257 -3.987 -4.140 756 H LEU 101 HN LEU 101 2.843 -5.092 -0.739 757 HA LEU 101 HA LEU 101 5.601 -5.468 -0.885 758 HB2 LEU 101 HB2 LEU 101 3.768 -5.746 1.499 759 HB3 LEU 101 HB1 LEU 101 5.514 -5.623 1.590 760 HG LEU 101 HG LEU 101 3.753 -3.476 0.409 761 HD11 LEU 101 HD21 LEU 101 3.203 -3.770 2.760 762 HD12 LEU 101 HD22 LEU 101 4.091 -2.267 2.509 763 HD13 LEU 101 HD23 LEU 101 4.913 -3.674 3.185 764 HD21 LEU 101 HD11 LEU 101 5.742 -2.078 0.699 765 HD22 LEU 101 HD12 LEU 101 6.052 -3.439 -0.379 766 HD23 LEU 101 HD13 LEU 101 6.637 -3.480 1.285 767 H GLY 102 HN GLY 102 3.029 -7.729 -0.003 768 HA2 GLY 102 HA2 GLY 102 4.757 -9.849 0.766 769 HA3 GLY 102 HA1 GLY 102 3.050 -9.993 0.384 770 H GLN 103 HN GLN 103 3.497 -8.830 -2.337 771 HA GLN 103 HA GLN 103 4.084 -11.333 -3.628 772 HB2 GLN 103 HB2 GLN 103 2.304 -9.671 -4.360 773 HB3 GLN 103 HB1 GLN 103 3.617 -8.689 -4.997 774 HG2 GLN 103 HG1 GLN 103 4.276 -10.488 -6.483 775 HG3 GLN 103 HG2 GLN 103 3.017 -11.524 -5.812 776 HE21 GLN 103 HE21 GLN 103 3.726 -8.859 -7.898 777 HE22 GLN 103 HE22 GLN 103 2.162 -8.737 -8.621 778 H LEU 104 HN LEU 104 5.570 -8.097 -3.616 779 HA LEU 104 HA LEU 104 7.676 -8.685 -5.371 780 HB2 LEU 104 HB1 LEU 104 7.461 -6.687 -3.124 781 HB3 LEU 104 HB2 LEU 104 8.848 -6.771 -4.192 782 HG LEU 104 HG LEU 104 6.011 -6.207 -5.065 783 HD11 LEU 104 HD21 LEU 104 6.934 -4.368 -3.773 784 HD12 LEU 104 HD22 LEU 104 6.829 -3.936 -5.479 785 HD13 LEU 104 HD23 LEU 104 8.386 -4.374 -4.775 786 HD21 LEU 104 HD11 LEU 104 8.609 -6.228 -6.591 787 HD22 LEU 104 HD12 LEU 104 7.079 -5.612 -7.214 788 HD23 LEU 104 HD13 LEU 104 7.244 -7.321 -6.811 789 H ALA 105 HN ALA 105 7.233 -9.338 -1.980 790 HA ALA 105 HA ALA 105 9.968 -9.973 -1.425 791 HB1 ALA 105 HB1 ALA 105 7.469 -10.721 0.093 792 HB2 ALA 105 HB2 ALA 105 8.428 -9.261 0.339 793 HB3 ALA 105 HB3 ALA 105 9.123 -10.842 0.692 794 H ALA 106 HN ALA 106 7.132 -11.761 -2.462 795 HA ALA 106 HA ALA 106 8.476 -14.322 -2.226 796 HB1 ALA 106 HB1 ALA 106 5.759 -13.633 -3.338 797 HB2 ALA 106 HB2 ALA 106 6.102 -14.174 -1.695 798 HB3 ALA 106 HB3 ALA 106 6.375 -15.262 -3.056 799 H GLU 107 HN GLU 107 8.243 -11.842 -4.513 800 HA GLU 107 HA GLU 107 8.410 -13.467 -6.876 801 HB2 GLU 107 HB2 GLU 107 7.463 -11.121 -6.763 802 HB3 GLU 107 HB1 GLU 107 9.115 -10.543 -6.603 803 HG2 GLU 107 HG2 GLU 107 8.193 -12.219 -8.919 804 HG3 GLU 107 HG1 GLU 107 8.109 -10.458 -8.912 805 H ILE 108 HN ILE 108 10.672 -11.695 -4.828 806 HA ILE 108 HA ILE 108 12.943 -12.275 -6.493 807 HB ILE 108 HB ILE 108 14.273 -11.339 -4.618 808 HG12 ILE 108 HG11 ILE 108 11.576 -10.908 -3.312 809 HG13 ILE 108 HG12 ILE 108 12.763 -12.100 -2.794 810 HG21 ILE 108 HG21 ILE 108 13.425 -9.888 -6.372 811 HG22 ILE 108 HG22 ILE 108 13.415 -9.050 -4.819 812 HG23 ILE 108 HG23 ILE 108 11.911 -9.680 -5.491 813 HD11 ILE 108 HD11 ILE 108 13.167 -9.119 -2.807 814 HD12 ILE 108 HD12 ILE 108 14.331 -10.325 -2.257 815 HD13 ILE 108 HD13 ILE 108 12.808 -10.111 -1.394 816 H ALA 109 HN ALA 109 11.299 -14.521 -5.366 817 HA ALA 109 HA ALA 109 12.742 -15.857 -3.353 818 HB1 ALA 109 HB1 ALA 109 11.512 -17.857 -4.052 819 HB2 ALA 109 HB2 ALA 109 10.973 -17.014 -5.504 820 HB3 ALA 109 HB3 ALA 109 10.452 -16.455 -3.916 821 H ASP 110 HN ASP 110 14.924 -15.869 -3.761 822 HA ASP 110 HA ASP 110 15.870 -17.948 -5.500 823 HB2 ASP 110 HB1 ASP 110 15.636 -15.916 -7.002 824 HB3 ASP 110 HB2 ASP 110 16.893 -15.154 -6.031 825 H THR 111 HN THR 111 15.846 -16.989 -2.663 826 HA THR 111 HA THR 111 17.194 -17.140 -0.842 827 HB THR 111 HB THR 111 19.367 -18.078 -2.722 828 HG1 THR 111 HG1 THR 111 17.956 -19.659 -3.006 829 HG21 THR 111 HG21 THR 111 18.935 -18.498 0.238 830 HG22 THR 111 HG22 THR 111 20.164 -17.468 -0.496 831 HG23 THR 111 HG23 THR 111 20.230 -19.215 -0.722 832 H ASP 112 HN ASP 112 17.380 -15.046 -0.238 833 HA ASP 112 HA ASP 112 19.860 -13.773 -0.339 834 HB2 ASP 112 HB1 ASP 112 19.325 -13.314 -2.689 835 HB3 ASP 112 HB2 ASP 112 17.800 -12.574 -2.209 836 H ALA 113 HN ALA 113 16.878 -11.976 -0.785 837 HA ALA 113 HA ALA 113 16.938 -11.294 2.078 838 HB1 ALA 113 HB1 ALA 113 15.866 -9.186 1.467 839 HB2 ALA 113 HB2 ALA 113 15.857 -9.678 -0.226 840 HB3 ALA 113 HB3 ALA 113 17.389 -9.406 0.604 841 H ALA 114 HN ALA 114 14.257 -10.397 0.067 842 HA ALA 114 HA ALA 114 12.040 -10.904 0.119 843 HB1 ALA 114 HB1 ALA 114 11.413 -13.242 0.229 844 HB2 ALA 114 HB2 ALA 114 13.006 -13.656 0.863 845 HB3 ALA 114 HB3 ALA 114 12.845 -13.036 -0.780 846 H ASP 115 HN ASP 115 13.872 -10.827 2.819 847 HA ASP 115 HA ASP 115 11.519 -11.017 4.567 848 HB2 ASP 115 HB2 ASP 115 12.966 -12.979 4.934 849 HB3 ASP 115 HB1 ASP 115 14.327 -11.910 5.266 850 H ALA 116 HN ALA 116 13.986 -9.129 3.343 851 HA ALA 116 HA ALA 116 14.369 -7.471 5.686 852 HB1 ALA 116 HB1 ALA 116 16.222 -7.816 4.125 853 HB2 ALA 116 HB2 ALA 116 15.786 -6.110 4.230 854 HB3 ALA 116 HB3 ALA 116 15.280 -7.066 2.836 855 H LEU 117 HN LEU 117 12.926 -7.121 2.459 856 HA LEU 117 HA LEU 117 11.835 -4.560 2.872 857 HB2 LEU 117 HB2 LEU 117 10.698 -4.879 0.846 858 HB3 LEU 117 HB1 LEU 117 12.161 -5.831 0.676 859 HG LEU 117 HG LEU 117 10.494 -7.716 1.646 860 HD11 LEU 117 HD11 LEU 117 8.604 -6.137 1.684 861 HD12 LEU 117 HD12 LEU 117 8.326 -7.515 0.615 862 HD13 LEU 117 HD13 LEU 117 8.760 -5.946 -0.064 863 HD21 LEU 117 HD21 LEU 117 11.819 -8.114 -0.255 864 HD22 LEU 117 HD22 LEU 117 10.999 -6.856 -1.184 865 HD23 LEU 117 HD23 LEU 117 10.149 -8.344 -0.773 866 H ILE 118 HN ILE 118 10.774 -7.777 3.645 867 HA ILE 118 HA ILE 118 8.082 -7.542 4.035 868 HB ILE 118 HB ILE 118 10.159 -9.048 5.606 869 HG12 ILE 118 HG12 ILE 118 9.687 -9.776 3.303 870 HG13 ILE 118 HG11 ILE 118 9.190 -10.988 4.479 871 HG21 ILE 118 HG21 ILE 118 7.174 -9.257 5.988 872 HG22 ILE 118 HG22 ILE 118 8.298 -8.515 7.126 873 HG23 ILE 118 HG23 ILE 118 8.406 -10.241 6.777 874 HD11 ILE 118 HD11 ILE 118 7.557 -10.766 2.702 875 HD12 ILE 118 HD12 ILE 118 7.370 -9.051 3.070 876 HD13 ILE 118 HD13 ILE 118 6.874 -10.264 4.249 877 H ASP 119 HN ASP 119 10.664 -6.217 5.948 878 HA ASP 119 HA ASP 119 9.463 -5.618 8.339 879 HB2 ASP 119 HB2 ASP 119 11.637 -4.448 6.718 880 HB3 ASP 119 HB1 ASP 119 10.946 -3.385 7.936 881 H ARG 120 HN ARG 120 9.363 -3.714 5.340 882 HA ARG 120 HA ARG 120 7.960 -1.511 6.268 883 HB2 ARG 120 HB1 ARG 120 8.010 -2.831 3.558 884 HB3 ARG 120 HB2 ARG 120 7.148 -1.331 3.860 885 HG2 ARG 120 HG1 ARG 120 9.268 -0.793 2.920 886 HG3 ARG 120 HG2 ARG 120 9.294 -0.324 4.621 887 HD2 ARG 120 HD1 ARG 120 10.518 -2.344 5.183 888 HD3 ARG 120 HD2 ARG 120 10.444 -2.878 3.504 889 HE ARG 120 HE ARG 120 11.657 -0.442 3.379 890 HH11 ARG 120 HH11 ARG 120 12.269 -3.398 5.120 891 HH12 ARG 120 HH12 ARG 120 13.985 -3.167 5.166 892 HH21 ARG 120 HH21 ARG 120 13.916 -0.131 3.434 893 HH22 ARG 120 HH22 ARG 120 14.921 -1.310 4.207 894 H TYR 121 HN TYR 121 6.743 -4.625 5.125 895 HA TYR 121 HA TYR 121 4.025 -3.978 5.049 896 HB2 TYR 121 HB2 TYR 121 4.998 -6.058 4.107 897 HB3 TYR 121 HB1 TYR 121 5.249 -6.657 5.743 898 HD1 TYR 121 HD1 TYR 121 3.198 -6.996 7.220 899 HD2 TYR 121 HD2 TYR 121 2.942 -6.376 3.019 900 HE1 TYR 121 HE1 TYR 121 0.934 -7.955 7.223 901 HE2 TYR 121 HE2 TYR 121 0.676 -7.331 3.011 902 HH TYR 121 HH TYR 121 -0.682 -8.864 4.394 903 H HIS 122 HN HIS 122 5.827 -5.625 7.645 904 HA HIS 122 HA HIS 122 3.759 -5.717 9.505 905 HB2 HIS 122 HB1 HIS 122 6.752 -5.679 9.807 906 HB3 HIS 122 HB2 HIS 122 5.688 -5.778 11.205 907 HD1 HIS 122 HD1 HIS 122 4.711 -8.031 11.759 908 HD2 HIS 122 HD2 HIS 122 6.585 -7.957 8.050 909 HE1 HIS 122 HE1 HIS 122 4.792 -10.427 10.999 910 HE2 HIS 122 HE2 HIS 122 5.941 -10.360 8.758 911 H PHE 123 HN PHE 123 5.841 -3.084 8.598 912 HA PHE 123 HA PHE 123 5.363 -1.489 10.915 913 HB2 PHE 123 HB2 PHE 123 6.343 -0.715 8.161 914 HB3 PHE 123 HB1 PHE 123 6.323 0.361 9.553 915 HD1 PHE 123 HD2 PHE 123 7.140 -1.944 11.521 916 HD2 PHE 123 HD1 PHE 123 8.714 -0.487 7.844 917 HE1 PHE 123 HE2 PHE 123 9.377 -2.740 12.165 918 HE2 PHE 123 HE1 PHE 123 10.952 -1.281 8.483 919 HZ PHE 123 HZ PHE 123 11.286 -2.410 10.646 920 H LEU 124 HN LEU 124 4.127 -1.271 7.569 921 HA LEU 124 HA LEU 124 2.318 0.820 8.080 922 HB2 LEU 124 HB2 LEU 124 2.987 0.324 5.828 923 HB3 LEU 124 HB1 LEU 124 2.345 -1.303 5.942 924 HG LEU 124 HG LEU 124 0.059 -0.371 6.105 925 HD11 LEU 124 HD21 LEU 124 -0.321 1.989 5.620 926 HD12 LEU 124 HD22 LEU 124 1.420 2.273 5.602 927 HD13 LEU 124 HD23 LEU 124 0.622 1.787 7.097 928 HD21 LEU 124 HD11 LEU 124 0.939 -1.043 3.940 929 HD22 LEU 124 HD12 LEU 124 1.636 0.561 3.711 930 HD23 LEU 124 HD13 LEU 124 -0.115 0.362 3.778 931 H ARG 125 HN ARG 125 1.832 -2.694 7.958 932 HA ARG 125 HA ARG 125 -0.854 -2.915 8.284 933 HB2 ARG 125 HB2 ARG 125 0.599 -4.857 8.094 934 HB3 ARG 125 HB1 ARG 125 1.263 -4.547 9.693 935 HG2 ARG 125 HG1 ARG 125 -0.940 -4.954 10.682 936 HG3 ARG 125 HG2 ARG 125 -1.592 -5.284 9.076 937 HD2 ARG 125 HD2 ARG 125 -0.095 -7.179 8.831 938 HD3 ARG 125 HD1 ARG 125 0.634 -6.829 10.399 939 HE ARG 125 HE ARG 125 -1.959 -7.141 11.029 940 HH11 ARG 125 HH11 ARG 125 0.240 -9.082 9.146 941 HH12 ARG 125 HH12 ARG 125 -0.538 -10.578 9.543 942 HH21 ARG 125 HH21 ARG 125 -2.988 -9.105 11.555 943 HH22 ARG 125 HH22 ARG 125 -2.373 -10.591 10.911 944 H GLY 126 HN GLY 126 1.469 -1.990 10.777 945 HA2 GLY 126 HA2 GLY 126 -0.402 -2.158 12.931 946 HA3 GLY 126 HA1 GLY 126 1.169 -1.375 12.974 947 H PHE 127 HN PHE 127 0.498 0.392 10.691 948 HA PHE 127 HA PHE 127 -0.602 2.527 12.204 949 HB2 PHE 127 HB2 PHE 127 1.053 3.063 10.579 950 HB3 PHE 127 HB1 PHE 127 0.171 2.232 9.303 951 HD1 PHE 127 HD2 PHE 127 0.187 5.219 11.470 952 HD2 PHE 127 HD1 PHE 127 -1.499 3.327 8.050 953 HE1 PHE 127 HE2 PHE 127 -0.881 7.340 10.827 954 HE2 PHE 127 HE1 PHE 127 -2.568 5.445 7.400 955 HZ PHE 127 HZ PHE 127 -2.261 7.455 8.790 956 H ALA 128 HN ALA 128 -1.874 0.345 9.767 957 HA ALA 128 HA ALA 128 -4.309 1.799 9.373 958 HB1 ALA 128 HB1 ALA 128 -3.346 0.372 7.629 959 HB2 ALA 128 HB2 ALA 128 -4.998 -0.095 8.032 960 HB3 ALA 128 HB3 ALA 128 -3.643 -1.045 8.637 961 H ALA 129 HN ALA 129 -3.189 -0.340 11.767 962 HA ALA 129 HA ALA 129 -5.690 -1.548 12.448 963 HB1 ALA 129 HB1 ALA 129 -4.544 -2.355 14.433 964 HB2 ALA 129 HB2 ALA 129 -3.191 -1.270 14.113 965 HB3 ALA 129 HB3 ALA 129 -3.544 -2.593 13.001 966 H GLY 130 HN GLY 130 -4.157 1.464 13.200 967 HA2 GLY 130 HA2 GLY 130 -5.950 1.951 15.460 968 HA3 GLY 130 HA1 GLY 130 -4.608 2.971 14.965 969 H HIS 131 HN HIS 131 -6.446 2.051 12.312 970 HA HIS 131 HA HIS 131 -7.502 4.726 12.042 971 HB2 HIS 131 HB2 HIS 131 -7.059 2.404 10.273 972 HB3 HIS 131 HB1 HIS 131 -8.463 3.392 9.874 973 HD1 HIS 131 HD1 HIS 131 -7.414 6.187 10.388 974 HD2 HIS 131 HD2 HIS 131 -5.186 3.230 8.502 975 HE1 HIS 131 HE1 HIS 131 -5.685 7.410 9.034 976 HE2 HIS 131 HE2 HIS 131 -4.418 5.604 7.818 977 HA PRO 132 HA PRO 132 -11.622 4.115 13.482 978 HB2 PRO 132 HB1 PRO 132 -12.557 5.482 11.020 979 HB3 PRO 132 HB2 PRO 132 -12.839 5.896 12.713 980 HG2 PRO 132 HG1 PRO 132 -11.147 7.319 11.222 981 HG3 PRO 132 HG2 PRO 132 -10.797 6.975 12.927 982 HD2 PRO 132 HD2 PRO 132 -9.669 5.705 10.464 983 HD3 PRO 132 HD1 PRO 132 -8.859 6.134 11.984 984 H GLU 133 HN GLU 133 -10.812 3.272 10.196 985 HA GLU 133 HA GLU 133 -13.055 1.363 10.133 986 HB2 GLU 133 HB2 GLU 133 -12.696 1.314 7.661 987 HB3 GLU 133 HB1 GLU 133 -13.209 2.876 8.279 988 HG2 GLU 133 HG2 GLU 133 -10.326 2.219 7.790 989 HG3 GLU 133 HG1 GLU 133 -11.378 2.851 6.526 990 H ALA 134 HN ALA 134 -10.175 1.271 11.230 991 HA ALA 134 HA ALA 134 -8.482 -0.389 9.936 992 HB1 ALA 134 HB1 ALA 134 -8.088 0.510 12.187 993 HB2 ALA 134 HB2 ALA 134 -7.738 -1.216 12.095 994 HB3 ALA 134 HB3 ALA 134 -9.233 -0.659 12.846 995 H ALA 135 HN ALA 135 -11.427 -1.369 11.640 996 HA ALA 135 HA ALA 135 -11.227 -4.086 11.589 997 HB1 ALA 135 HB1 ALA 135 -13.731 -2.527 10.980 998 HB2 ALA 135 HB2 ALA 135 -13.086 -2.825 12.594 999 HB3 ALA 135 HB3 ALA 135 -13.641 -4.175 11.603 1000 H ALA 136 HN ALA 136 -12.416 -2.033 8.932 1001 HA ALA 136 HA ALA 136 -12.886 -4.230 7.180 1002 HB1 ALA 136 HB1 ALA 136 -14.059 -2.082 6.975 1003 HB2 ALA 136 HB2 ALA 136 -13.269 -2.558 5.472 1004 HB3 ALA 136 HB3 ALA 136 -12.546 -1.315 6.494 1005 H ILE 137 HN ILE 137 -10.160 -2.073 7.713 1006 HA ILE 137 HA ILE 137 -8.711 -2.752 5.397 1007 HB ILE 137 HB ILE 137 -7.700 -1.704 8.035 1008 HG12 ILE 137 HG12 ILE 137 -8.323 -0.219 5.475 1009 HG13 ILE 137 HG11 ILE 137 -9.428 -0.321 6.841 1010 HG21 ILE 137 HG21 ILE 137 -6.394 -1.912 5.331 1011 HG22 ILE 137 HG22 ILE 137 -5.858 -2.632 6.850 1012 HG23 ILE 137 HG23 ILE 137 -5.792 -0.884 6.630 1013 HD11 ILE 137 HD11 ILE 137 -7.764 0.794 8.251 1014 HD12 ILE 137 HD12 ILE 137 -8.243 1.778 6.869 1015 HD13 ILE 137 HD13 ILE 137 -6.696 0.933 6.855 1016 H TYR 138 HN TYR 138 -8.320 -3.961 8.762 1017 HA TYR 138 HA TYR 138 -6.161 -5.660 8.109 1018 HB2 TYR 138 HB2 TYR 138 -6.181 -6.343 10.303 1019 HB3 TYR 138 HB1 TYR 138 -7.016 -4.801 10.434 1020 HD1 TYR 138 HD2 TYR 138 -9.410 -4.716 10.888 1021 HD2 TYR 138 HD1 TYR 138 -7.348 -8.428 10.668 1022 HE1 TYR 138 HE2 TYR 138 -11.307 -5.828 11.991 1023 HE2 TYR 138 HE1 TYR 138 -9.239 -9.552 11.770 1024 HH TYR 138 HH TYR 138 -12.269 -8.086 12.166 1025 H ARG 139 HN ARG 139 -9.641 -6.167 8.112 1026 HA ARG 139 HA ARG 139 -9.445 -8.998 7.725 1027 HB2 ARG 139 HB2 ARG 139 -11.839 -8.910 7.233 1028 HB3 ARG 139 HB1 ARG 139 -11.465 -7.991 8.685 1029 HG2 ARG 139 HG2 ARG 139 -11.539 -5.918 7.363 1030 HG3 ARG 139 HG1 ARG 139 -11.990 -6.865 5.943 1031 HD2 ARG 139 HD1 ARG 139 -13.940 -5.846 7.028 1032 HD3 ARG 139 HD2 ARG 139 -14.014 -7.609 7.048 1033 HE ARG 139 HE ARG 139 -12.908 -7.052 9.433 1034 HH11 ARG 139 HH11 ARG 139 -15.730 -5.813 7.808 1035 HH12 ARG 139 HH12 ARG 139 -16.594 -5.493 9.275 1036 HH21 ARG 139 HH21 ARG 139 -14.037 -6.633 11.370 1037 HH22 ARG 139 HH22 ARG 139 -15.631 -5.959 11.300 1038 H ALA 140 HN ALA 140 -9.472 -6.186 5.699 1039 HA ALA 140 HA ALA 140 -10.024 -7.460 3.233 1040 HB1 ALA 140 HB1 ALA 140 -8.497 -4.909 3.730 1041 HB2 ALA 140 HB2 ALA 140 -10.248 -5.043 3.556 1042 HB3 ALA 140 HB3 ALA 140 -9.194 -5.426 2.195 1043 H ILE 141 HN ILE 141 -7.066 -6.881 5.046 1044 HA ILE 141 HA ILE 141 -5.415 -7.955 2.905 1045 HB ILE 141 HB ILE 141 -3.516 -7.527 4.392 1046 HG12 ILE 141 HG11 ILE 141 -5.557 -6.462 6.356 1047 HG13 ILE 141 HG12 ILE 141 -4.738 -8.012 6.519 1048 HG21 ILE 141 HG21 ILE 141 -3.682 -5.089 4.453 1049 HG22 ILE 141 HG22 ILE 141 -5.426 -5.201 4.210 1050 HG23 ILE 141 HG23 ILE 141 -4.323 -5.740 2.945 1051 HD11 ILE 141 HD11 ILE 141 -2.594 -6.870 6.668 1052 HD12 ILE 141 HD12 ILE 141 -3.712 -6.314 7.914 1053 HD13 ILE 141 HD13 ILE 141 -3.408 -5.314 6.493 1054 H ASP 142 HN ASP 142 -7.133 -9.091 5.585 1055 HA ASP 142 HA ASP 142 -5.425 -11.405 6.031 1056 HB2 ASP 142 HB1 ASP 142 -6.536 -10.282 7.944 1057 HB3 ASP 142 HB2 ASP 142 -8.100 -10.722 7.267 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -10.405 10.773 26.725 2 H2 MET 1 HT2 MET 1 -12.047 11.147 26.566 3 H3 MET 1 HT3 MET 1 -10.945 11.661 25.390 4 HA MET 1 HA MET 1 -11.635 8.847 26.002 5 HB2 MET 1 HB2 MET 1 -12.343 10.586 23.631 6 HB3 MET 1 HB1 MET 1 -12.690 8.867 23.766 7 HG2 MET 1 HG1 MET 1 -13.791 11.048 25.524 8 HG3 MET 1 HG2 MET 1 -14.659 10.193 24.249 9 HE1 MET 1 HE1 MET 1 -16.617 9.633 25.984 10 HE2 MET 1 HE2 MET 1 -15.729 10.498 27.238 11 HE3 MET 1 HE3 MET 1 -16.335 8.871 27.549 12 H ASN 2 HN ASN 2 -9.480 11.116 24.587 13 HA ASN 2 HA ASN 2 -7.545 10.923 23.412 14 HB2 ASN 2 HB1 ASN 2 -7.629 8.133 24.577 15 HB3 ASN 2 HB2 ASN 2 -6.230 8.834 23.770 16 HD21 ASN 2 HD21 ASN 2 -6.530 7.887 26.507 17 HD22 ASN 2 HD22 ASN 2 -6.132 9.227 27.523 18 H THR 3 HN THR 3 -8.372 11.177 21.352 19 HA THR 3 HA THR 3 -9.123 8.769 19.867 20 HB THR 3 HB THR 3 -10.639 10.689 19.683 21 HG1 THR 3 HG1 THR 3 -10.159 9.230 17.838 22 HG21 THR 3 HG21 THR 3 -9.932 12.722 18.507 23 HG22 THR 3 HG22 THR 3 -8.280 12.108 18.437 24 HG23 THR 3 HG23 THR 3 -9.014 12.489 19.996 25 H GLU 4 HN GLU 4 -6.332 9.813 20.675 26 HA GLU 4 HA GLU 4 -4.971 10.491 18.283 27 HB2 GLU 4 HB2 GLU 4 -3.843 9.219 20.782 28 HB3 GLU 4 HB1 GLU 4 -2.934 10.076 19.546 29 HG2 GLU 4 HG1 GLU 4 -5.020 11.280 21.351 30 HG3 GLU 4 HG2 GLU 4 -3.274 11.443 21.531 31 H GLU 5 HN GLU 5 -3.252 9.145 17.294 32 HA GLU 5 HA GLU 5 -4.234 6.411 16.890 33 HB2 GLU 5 HB2 GLU 5 -2.405 8.156 15.235 34 HB3 GLU 5 HB1 GLU 5 -2.740 6.471 14.864 35 HG2 GLU 5 HG2 GLU 5 -4.122 7.845 13.491 36 HG3 GLU 5 HG1 GLU 5 -5.142 7.036 14.679 37 H GLN 6 HN GLN 6 -2.240 4.949 16.115 38 HA GLN 6 HA GLN 6 -0.784 4.321 18.407 39 HB2 GLN 6 HB2 GLN 6 0.572 2.867 16.928 40 HB3 GLN 6 HB1 GLN 6 -1.158 2.677 16.675 41 HG2 GLN 6 HG2 GLN 6 -1.100 3.820 14.635 42 HG3 GLN 6 HG1 GLN 6 0.497 4.492 14.961 43 HE21 GLN 6 HE21 GLN 6 1.333 3.703 13.043 44 HE22 GLN 6 HE22 GLN 6 1.666 2.027 12.798 45 HA PRO 7 HA PRO 7 2.750 6.914 18.598 46 HB2 PRO 7 HB2 PRO 7 4.539 4.557 18.535 47 HB3 PRO 7 HB1 PRO 7 4.393 5.820 19.761 48 HG2 PRO 7 HG2 PRO 7 3.430 3.373 20.201 49 HG3 PRO 7 HG1 PRO 7 2.561 4.811 20.768 50 HD2 PRO 7 HD2 PRO 7 2.006 3.075 18.393 51 HD3 PRO 7 HD1 PRO 7 0.868 3.822 19.534 52 H VAL 8 HN VAL 8 2.198 5.011 15.981 53 HA VAL 8 HA VAL 8 4.392 6.249 14.456 54 HB VAL 8 HB VAL 8 3.051 3.590 13.925 55 HG11 VAL 8 HG21 VAL 8 4.594 3.331 12.089 56 HG12 VAL 8 HG22 VAL 8 5.339 4.888 12.452 57 HG13 VAL 8 HG23 VAL 8 3.674 4.820 11.874 58 HG21 VAL 8 HG11 VAL 8 5.253 2.625 14.412 59 HG22 VAL 8 HG12 VAL 8 4.585 3.475 15.805 60 HG23 VAL 8 HG13 VAL 8 5.853 4.228 14.839 61 H THR 9 HN THR 9 3.834 7.416 12.688 62 HA THR 9 HA THR 9 1.196 7.107 11.502 63 HB THR 9 HB THR 9 0.750 9.564 11.609 64 HG1 THR 9 HG1 THR 9 3.045 10.006 12.227 65 HG21 THR 9 HG21 THR 9 -0.068 9.566 13.921 66 HG22 THR 9 HG22 THR 9 0.936 8.161 14.279 67 HG23 THR 9 HG23 THR 9 -0.394 8.025 13.128 68 H ALA 10 HN ALA 10 1.107 7.701 9.378 69 HA ALA 10 HA ALA 10 3.630 8.144 8.063 70 HB1 ALA 10 HB1 ALA 10 2.354 7.921 5.991 71 HB2 ALA 10 HB2 ALA 10 0.850 7.934 6.911 72 HB3 ALA 10 HB3 ALA 10 1.992 6.604 7.108 73 H SER 11 HN SER 11 3.337 9.734 6.019 74 HA SER 11 HA SER 11 1.978 12.192 6.667 75 HB2 SER 11 HB1 SER 11 3.969 12.414 8.082 76 HB3 SER 11 HB2 SER 11 5.006 12.132 6.684 77 HG SER 11 HG SER 11 4.884 14.312 6.899 78 H LEU 12 HN LEU 12 2.319 13.866 4.986 79 HA LEU 12 HA LEU 12 2.646 12.576 2.384 80 HB2 LEU 12 HB2 LEU 12 0.572 13.877 2.971 81 HB3 LEU 12 HB1 LEU 12 1.561 15.325 2.982 82 HG LEU 12 HG LEU 12 2.111 14.941 0.601 83 HD11 LEU 12 HD21 LEU 12 1.810 12.489 0.637 84 HD12 LEU 12 HD22 LEU 12 0.933 13.271 -0.678 85 HD13 LEU 12 HD23 LEU 12 0.068 12.732 0.761 86 HD21 LEU 12 HD11 LEU 12 0.265 16.407 1.213 87 HD22 LEU 12 HD12 LEU 12 -0.837 15.030 1.225 88 HD23 LEU 12 HD13 LEU 12 -0.085 15.546 -0.286 89 H VAL 13 HN VAL 13 4.400 12.873 1.202 90 HA VAL 13 HA VAL 13 6.396 14.813 2.023 91 HB VAL 13 HB VAL 13 6.509 12.838 -0.262 92 HG11 VAL 13 HG21 VAL 13 8.931 13.145 -0.102 93 HG12 VAL 13 HG22 VAL 13 8.696 14.346 1.168 94 HG13 VAL 13 HG23 VAL 13 8.112 14.664 -0.465 95 HG21 VAL 13 HG11 VAL 13 7.809 11.422 1.266 96 HG22 VAL 13 HG12 VAL 13 6.161 11.672 1.842 97 HG23 VAL 13 HG13 VAL 13 7.496 12.561 2.575 98 H ALA 14 HN ALA 14 7.312 16.390 0.640 99 HA ALA 14 HA ALA 14 5.551 17.994 -0.760 100 HB1 ALA 14 HB1 ALA 14 7.714 18.769 0.074 101 HB2 ALA 14 HB2 ALA 14 7.508 19.159 -1.634 102 HB3 ALA 14 HB3 ALA 14 8.537 17.809 -1.156 103 H GLU 15 HN GLU 15 5.367 18.491 -3.023 104 HA GLU 15 HA GLU 15 5.075 16.161 -4.630 105 HB2 GLU 15 HB2 GLU 15 4.352 17.725 -6.389 106 HB3 GLU 15 HB1 GLU 15 3.542 18.034 -4.859 107 HG2 GLU 15 HG2 GLU 15 5.052 19.898 -4.428 108 HG3 GLU 15 HG1 GLU 15 5.881 19.583 -5.951 109 H ALA 16 HN ALA 16 7.555 18.587 -4.306 110 HA ALA 16 HA ALA 16 8.908 17.678 -6.728 111 HB1 ALA 16 HB1 ALA 16 9.687 19.860 -4.798 112 HB2 ALA 16 HB2 ALA 16 8.770 20.087 -6.286 113 HB3 ALA 16 HB3 ALA 16 10.440 19.524 -6.357 114 H GLN 17 HN GLN 17 8.764 16.728 -3.563 115 HA GLN 17 HA GLN 17 11.550 15.773 -3.589 116 HB2 GLN 17 HB2 GLN 17 9.723 16.386 -1.267 117 HB3 GLN 17 HB1 GLN 17 11.250 15.533 -1.094 118 HG2 GLN 17 HG2 GLN 17 10.925 18.314 -2.198 119 HG3 GLN 17 HG1 GLN 17 11.438 17.914 -0.558 120 HE21 GLN 17 HE21 GLN 17 12.311 17.852 -3.932 121 HE22 GLN 17 HE22 GLN 17 14.005 17.617 -3.694 122 H ARG 18 HN ARG 18 8.285 14.862 -3.726 123 HA ARG 18 HA ARG 18 8.547 12.246 -2.595 124 HB2 ARG 18 HB1 ARG 18 6.320 11.840 -3.518 125 HB3 ARG 18 HB2 ARG 18 6.380 13.388 -2.687 126 HG2 ARG 18 HG1 ARG 18 6.590 14.532 -4.839 127 HG3 ARG 18 HG2 ARG 18 6.513 12.975 -5.666 128 HD2 ARG 18 HD1 ARG 18 4.355 14.100 -3.888 129 HD3 ARG 18 HD2 ARG 18 4.350 14.164 -5.649 130 HE ARG 18 HE ARG 18 4.602 11.516 -4.518 131 HH11 ARG 18 HH11 ARG 18 2.441 13.976 -5.709 132 HH12 ARG 18 HH12 ARG 18 1.157 12.865 -6.050 133 HH21 ARG 18 HH21 ARG 18 2.918 10.046 -4.965 134 HH22 ARG 18 HH22 ARG 18 1.428 10.632 -5.626 135 H LEU 19 HN LEU 19 9.155 13.665 -5.682 136 HA LEU 19 HA LEU 19 9.008 11.326 -7.270 137 HB2 LEU 19 HB2 LEU 19 10.378 12.639 -8.886 138 HB3 LEU 19 HB1 LEU 19 8.922 13.450 -8.345 139 HG LEU 19 HG LEU 19 10.561 14.556 -6.601 140 HD11 LEU 19 HD11 LEU 19 12.509 13.231 -7.209 141 HD12 LEU 19 HD12 LEU 19 12.781 14.940 -7.554 142 HD13 LEU 19 HD13 LEU 19 12.409 13.823 -8.867 143 HD21 LEU 19 HD21 LEU 19 10.414 15.337 -9.508 144 HD22 LEU 19 HD22 LEU 19 10.928 16.394 -8.193 145 HD23 LEU 19 HD23 LEU 19 9.273 15.785 -8.240 146 H ASP 20 HN ASP 20 11.364 12.546 -5.082 147 HA ASP 20 HA ASP 20 13.311 10.531 -5.984 148 HB2 ASP 20 HB2 ASP 20 14.070 12.928 -6.009 149 HB3 ASP 20 HB1 ASP 20 13.853 12.955 -4.261 150 H PHE 21 HN PHE 21 11.141 11.414 -3.563 151 HA PHE 21 HA PHE 21 12.368 10.316 -1.267 152 HB2 PHE 21 HB2 PHE 21 10.289 11.841 -1.437 153 HB3 PHE 21 HB1 PHE 21 9.392 10.355 -1.737 154 HD1 PHE 21 HD2 PHE 21 9.261 8.617 0.007 155 HD2 PHE 21 HD1 PHE 21 11.052 12.408 0.732 156 HE1 PHE 21 HE2 PHE 21 9.088 8.232 2.432 157 HE2 PHE 21 HE1 PHE 21 10.883 12.031 3.156 158 HZ PHE 21 HZ PHE 21 9.900 9.941 4.009 159 H LEU 22 HN LEU 22 10.552 8.966 -3.915 160 HA LEU 22 HA LEU 22 10.019 6.447 -2.724 161 HB2 LEU 22 HB2 LEU 22 8.858 7.543 -4.722 162 HB3 LEU 22 HB1 LEU 22 10.216 6.983 -5.675 163 HG LEU 22 HG LEU 22 9.683 4.684 -5.230 164 HD11 LEU 22 HD21 LEU 22 8.983 4.836 -2.935 165 HD12 LEU 22 HD22 LEU 22 7.696 4.083 -3.879 166 HD13 LEU 22 HD23 LEU 22 7.561 5.774 -3.391 167 HD21 LEU 22 HD11 LEU 22 8.463 5.791 -7.041 168 HD22 LEU 22 HD12 LEU 22 7.177 6.215 -5.911 169 HD23 LEU 22 HD13 LEU 22 7.499 4.521 -6.286 170 HA PRO 23 HA PRO 23 13.843 4.889 -5.239 171 HB2 PRO 23 HB2 PRO 23 15.581 6.768 -6.165 172 HB3 PRO 23 HB1 PRO 23 14.239 6.137 -7.125 173 HG2 PRO 23 HG2 PRO 23 14.421 8.688 -5.566 174 HG3 PRO 23 HG1 PRO 23 13.748 8.409 -7.184 175 HD2 PRO 23 HD2 PRO 23 12.192 8.633 -4.987 176 HD3 PRO 23 HD1 PRO 23 11.765 7.580 -6.351 177 H THR 24 HN THR 24 13.848 7.530 -3.058 178 HA THR 24 HA THR 24 16.529 7.058 -2.074 179 HB THR 24 HB THR 24 14.360 9.003 -1.349 180 HG1 THR 24 HG1 THR 24 16.703 10.136 -1.774 181 HG21 THR 24 HG21 THR 24 15.444 8.250 0.743 182 HG22 THR 24 HG22 THR 24 15.772 9.942 0.370 183 HG23 THR 24 HG23 THR 24 17.007 8.718 0.071 184 H TYR 25 HN TYR 25 13.213 6.505 -0.919 185 HA TYR 25 HA TYR 25 14.352 5.152 1.433 186 HB2 TYR 25 HB1 TYR 25 11.654 6.410 0.985 187 HB3 TYR 25 HB2 TYR 25 12.001 5.370 2.364 188 HD1 TYR 25 HD1 TYR 25 13.617 6.084 4.082 189 HD2 TYR 25 HD2 TYR 25 12.502 8.654 0.880 190 HE1 TYR 25 HE1 TYR 25 14.543 8.004 5.307 191 HE2 TYR 25 HE2 TYR 25 13.425 10.580 2.097 192 HH TYR 25 HH TYR 25 13.939 11.217 4.423 193 H PHE 26 HN PHE 26 12.287 4.674 -1.344 194 HA PHE 26 HA PHE 26 11.569 1.993 -0.446 195 HB2 PHE 26 HB2 PHE 26 10.088 3.792 -1.771 196 HB3 PHE 26 HB1 PHE 26 10.809 2.972 -3.151 197 HD1 PHE 26 HD2 PHE 26 8.942 2.299 -0.010 198 HD2 PHE 26 HD1 PHE 26 9.875 1.016 -3.958 199 HE1 PHE 26 HE2 PHE 26 7.265 0.510 0.181 200 HE2 PHE 26 HE1 PHE 26 8.199 -0.777 -3.775 201 HZ PHE 26 HZ PHE 26 6.892 -1.032 -1.703 202 H GLY 27 HN GLY 27 13.399 3.651 -2.950 203 HA2 GLY 27 HA2 GLY 27 15.572 2.348 -3.360 204 HA3 GLY 27 HA1 GLY 27 14.477 1.069 -3.866 205 HA PRO 28 HA PRO 28 15.235 4.599 -7.166 206 HB2 PRO 28 HB1 PRO 28 17.555 3.692 -8.337 207 HB3 PRO 28 HB2 PRO 28 17.488 4.996 -7.150 208 HG2 PRO 28 HG2 PRO 28 18.169 2.111 -6.764 209 HG3 PRO 28 HG1 PRO 28 18.917 3.546 -6.039 210 HD2 PRO 28 HD1 PRO 28 17.180 2.009 -4.676 211 HD3 PRO 28 HD2 PRO 28 17.246 3.770 -4.453 212 H ARG 29 HN ARG 29 15.606 1.177 -6.922 213 HA ARG 29 HA ARG 29 14.818 0.776 -9.702 214 HB2 ARG 29 HB2 ARG 29 16.641 -0.605 -8.927 215 HB3 ARG 29 HB1 ARG 29 15.699 -1.153 -7.549 216 HG2 ARG 29 HG1 ARG 29 14.583 -1.669 -10.243 217 HG3 ARG 29 HG2 ARG 29 15.996 -2.604 -9.749 218 HD2 ARG 29 HD1 ARG 29 14.833 -3.347 -7.749 219 HD3 ARG 29 HD2 ARG 29 13.433 -2.366 -8.179 220 HE ARG 29 HE ARG 29 13.608 -3.915 -10.319 221 HH11 ARG 29 HH11 ARG 29 13.867 -4.729 -6.941 222 HH12 ARG 29 HH12 ARG 29 13.243 -6.331 -7.148 223 HH21 ARG 29 HH21 ARG 29 12.786 -6.023 -10.599 224 HH22 ARG 29 HH22 ARG 29 12.629 -7.067 -9.226 225 H LEU 30 HN LEU 30 13.648 0.144 -6.388 226 HA LEU 30 HA LEU 30 11.359 -1.286 -7.098 227 HB2 LEU 30 HB1 LEU 30 12.149 0.324 -4.691 228 HB3 LEU 30 HB2 LEU 30 10.597 -0.479 -4.785 229 HG LEU 30 HG LEU 30 11.864 -2.643 -5.142 230 HD11 LEU 30 HD21 LEU 30 13.988 -1.704 -5.851 231 HD12 LEU 30 HD22 LEU 30 14.201 -2.677 -4.395 232 HD13 LEU 30 HD23 LEU 30 14.182 -0.916 -4.285 233 HD21 LEU 30 HD11 LEU 30 12.240 -1.124 -2.565 234 HD22 LEU 30 HD12 LEU 30 12.429 -2.868 -2.750 235 HD23 LEU 30 HD13 LEU 30 10.854 -2.119 -3.015 236 H MET 31 HN MET 31 11.938 2.176 -6.788 237 HA MET 31 HA MET 31 9.610 3.365 -6.465 238 HB2 MET 31 HB2 MET 31 10.245 4.921 -8.444 239 HB3 MET 31 HB1 MET 31 11.319 4.809 -7.057 240 HG2 MET 31 HG2 MET 31 12.983 4.016 -8.288 241 HG3 MET 31 HG1 MET 31 11.947 2.826 -9.069 242 HE1 MET 31 HE1 MET 31 13.226 6.537 -9.110 243 HE2 MET 31 HE2 MET 31 11.475 6.739 -9.045 244 HE3 MET 31 HE3 MET 31 12.362 7.198 -10.498 245 H MET 32 HN MET 32 10.365 1.617 -9.449 246 HA MET 32 HA MET 32 7.626 2.108 -10.373 247 HB2 MET 32 HB2 MET 32 8.401 1.286 -12.549 248 HB3 MET 32 HB1 MET 32 9.404 2.611 -11.974 249 HG2 MET 32 HG1 MET 32 11.049 0.924 -11.171 250 HG3 MET 32 HG2 MET 32 10.074 -0.318 -11.954 251 HE1 MET 32 HE1 MET 32 10.757 3.348 -13.206 252 HE2 MET 32 HE2 MET 32 12.175 3.106 -14.226 253 HE3 MET 32 HE3 MET 32 12.294 2.875 -12.482 254 H ARG 33 HN ARG 33 9.881 -0.449 -9.529 255 HA ARG 33 HA ARG 33 8.216 -2.618 -10.260 256 HB2 ARG 33 HB2 ARG 33 10.402 -2.609 -8.181 257 HB3 ARG 33 HB1 ARG 33 9.777 -4.001 -9.054 258 HG2 ARG 33 HG2 ARG 33 11.248 -1.688 -10.301 259 HG3 ARG 33 HG1 ARG 33 11.954 -3.253 -9.900 260 HD2 ARG 33 HD2 ARG 33 11.463 -3.387 -12.187 261 HD3 ARG 33 HD1 ARG 33 10.157 -4.264 -11.392 262 HE ARG 33 HE ARG 33 9.290 -1.653 -11.686 263 HH11 ARG 33 HH11 ARG 33 10.262 -4.284 -13.752 264 HH12 ARG 33 HH12 ARG 33 9.240 -3.800 -15.065 265 HH21 ARG 33 HH21 ARG 33 7.941 -1.009 -13.408 266 HH22 ARG 33 HH22 ARG 33 7.922 -1.939 -14.870 267 H GLY 34 HN GLY 34 7.997 -0.410 -7.685 268 HA2 GLY 34 HA2 GLY 34 6.471 -2.337 -6.057 269 HA3 GLY 34 HA1 GLY 34 7.186 -0.848 -5.455 270 H GLU 35 HN GLU 35 6.329 0.940 -7.407 271 HA GLU 35 HA GLU 35 3.749 1.573 -6.492 272 HB2 GLU 35 HB1 GLU 35 5.255 3.281 -7.352 273 HB3 GLU 35 HB2 GLU 35 5.232 2.537 -8.945 274 HG2 GLU 35 HG1 GLU 35 2.829 3.028 -9.117 275 HG3 GLU 35 HG2 GLU 35 2.901 3.829 -7.547 276 H ALA 36 HN ALA 36 4.890 0.077 -9.488 277 HA ALA 36 HA ALA 36 2.474 -0.102 -10.851 278 HB1 ALA 36 HB1 ALA 36 4.776 -2.049 -10.901 279 HB2 ALA 36 HB2 ALA 36 4.623 -0.594 -11.886 280 HB3 ALA 36 HB3 ALA 36 3.497 -1.933 -12.109 281 H LEU 37 HN LEU 37 3.745 -2.078 -8.252 282 HA LEU 37 HA LEU 37 1.771 -4.141 -8.518 283 HB2 LEU 37 HB2 LEU 37 3.978 -3.501 -6.652 284 HB3 LEU 37 HB1 LEU 37 2.678 -4.489 -6.016 285 HG LEU 37 HG LEU 37 3.042 -6.083 -7.905 286 HD11 LEU 37 HD21 LEU 37 5.488 -4.391 -8.401 287 HD12 LEU 37 HD22 LEU 37 4.093 -4.531 -9.470 288 HD13 LEU 37 HD23 LEU 37 5.119 -5.934 -9.172 289 HD21 LEU 37 HD11 LEU 37 5.437 -5.561 -6.150 290 HD22 LEU 37 HD12 LEU 37 5.042 -7.081 -6.952 291 HD23 LEU 37 HD13 LEU 37 3.992 -6.456 -5.680 292 H VAL 38 HN VAL 38 2.196 -1.334 -6.409 293 HA VAL 38 HA VAL 38 0.090 -1.831 -4.631 294 HB VAL 38 HB VAL 38 1.003 0.887 -5.563 295 HG11 VAL 38 HG21 VAL 38 -1.028 1.045 -4.329 296 HG12 VAL 38 HG22 VAL 38 0.293 1.571 -3.285 297 HG13 VAL 38 HG23 VAL 38 -0.409 -0.033 -3.078 298 HG21 VAL 38 HG11 VAL 38 2.182 -1.035 -3.603 299 HG22 VAL 38 HG12 VAL 38 2.422 0.704 -3.429 300 HG23 VAL 38 HG13 VAL 38 2.977 -0.122 -4.885 301 H TYR 39 HN TYR 39 0.138 -0.174 -7.747 302 HA TYR 39 HA TYR 39 -2.680 0.435 -7.609 303 HB2 TYR 39 HB1 TYR 39 -2.259 1.894 -9.278 304 HB3 TYR 39 HB2 TYR 39 -0.567 1.585 -8.899 305 HD1 TYR 39 HD1 TYR 39 0.788 0.152 -10.318 306 HD2 TYR 39 HD2 TYR 39 -3.249 1.043 -11.310 307 HE1 TYR 39 HE1 TYR 39 1.186 -0.633 -12.617 308 HE2 TYR 39 HE2 TYR 39 -2.868 0.258 -13.609 309 HH TYR 39 HH TYR 39 -0.985 -0.051 -15.160 310 H ALA 40 HN ALA 40 -0.677 -2.106 -8.819 311 HA ALA 40 HA ALA 40 -2.417 -3.157 -10.785 312 HB1 ALA 40 HB1 ALA 40 -1.104 -5.210 -10.589 313 HB2 ALA 40 HB2 ALA 40 -0.357 -4.597 -9.113 314 HB3 ALA 40 HB3 ALA 40 -0.059 -3.790 -10.652 315 H TRP 41 HN TRP 41 -2.045 -3.782 -7.323 316 HA TRP 41 HA TRP 41 -4.052 -5.811 -7.239 317 HB2 TRP 41 HB2 TRP 41 -2.638 -4.197 -5.116 318 HB3 TRP 41 HB1 TRP 41 -3.893 -5.363 -4.717 319 HD1 TRP 41 HD1 TRP 41 -0.250 -5.117 -5.673 320 HE1 TRP 41 HE1 TRP 41 0.808 -7.462 -5.609 321 HE3 TRP 41 HE3 TRP 41 -4.498 -7.912 -5.143 322 HZ2 TRP 41 HZ2 TRP 41 -0.044 -10.142 -5.367 323 HZ3 TRP 41 HZ3 TRP 41 -4.290 -10.359 -5.003 324 HH2 TRP 41 HH2 TRP 41 -2.108 -11.451 -5.113 325 H MET 42 HN MET 42 -3.988 -2.338 -6.878 326 HA MET 42 HA MET 42 -6.488 -1.982 -5.653 327 HB2 MET 42 HB2 MET 42 -4.512 -0.322 -6.156 328 HB3 MET 42 HB1 MET 42 -5.429 0.004 -7.620 329 HG2 MET 42 HG2 MET 42 -5.953 1.607 -5.880 330 HG3 MET 42 HG1 MET 42 -7.363 0.628 -6.288 331 HE1 MET 42 HE1 MET 42 -8.437 1.610 -3.963 332 HE2 MET 42 HE2 MET 42 -6.923 2.461 -3.658 333 HE3 MET 42 HE3 MET 42 -7.628 1.440 -2.405 334 H ARG 43 HN ARG 43 -5.601 -1.785 -9.103 335 HA ARG 43 HA ARG 43 -8.161 -1.292 -10.100 336 HB2 ARG 43 HB2 ARG 43 -7.236 -2.322 -12.237 337 HB3 ARG 43 HB1 ARG 43 -6.368 -0.942 -11.575 338 HG2 ARG 43 HG1 ARG 43 -4.615 -2.282 -10.788 339 HG3 ARG 43 HG2 ARG 43 -5.555 -3.764 -10.973 340 HD2 ARG 43 HD2 ARG 43 -3.831 -3.477 -12.717 341 HD3 ARG 43 HD1 ARG 43 -5.468 -3.586 -13.362 342 HE ARG 43 HE ARG 43 -4.809 -0.884 -12.990 343 HH11 ARG 43 HH11 ARG 43 -3.956 -3.594 -15.008 344 HH12 ARG 43 HH12 ARG 43 -3.527 -2.611 -16.368 345 HH21 ARG 43 HH21 ARG 43 -4.249 0.418 -14.777 346 HH22 ARG 43 HH22 ARG 43 -3.693 -0.331 -16.237 347 H ARG 44 HN ARG 44 -6.942 -4.107 -8.667 348 HA ARG 44 HA ARG 44 -8.701 -5.938 -10.061 349 HB2 ARG 44 HB2 ARG 44 -6.977 -7.248 -9.484 350 HB3 ARG 44 HB1 ARG 44 -6.416 -6.112 -8.269 351 HG2 ARG 44 HG2 ARG 44 -8.090 -7.004 -6.702 352 HG3 ARG 44 HG1 ARG 44 -8.554 -8.197 -7.919 353 HD2 ARG 44 HD2 ARG 44 -5.770 -7.886 -6.816 354 HD3 ARG 44 HD1 ARG 44 -6.950 -9.048 -6.211 355 HE ARG 44 HE ARG 44 -6.237 -9.133 -9.046 356 HH11 ARG 44 HH11 ARG 44 -6.065 -10.548 -5.867 357 HH12 ARG 44 HH12 ARG 44 -5.502 -12.083 -6.440 358 HH21 ARG 44 HH21 ARG 44 -5.497 -11.149 -9.809 359 HH22 ARG 44 HH22 ARG 44 -5.178 -12.425 -8.681 360 H LEU 45 HN LEU 45 -8.470 -4.350 -6.957 361 HA LEU 45 HA LEU 45 -10.542 -5.658 -5.611 362 HB2 LEU 45 HB2 LEU 45 -9.897 -2.750 -5.235 363 HB3 LEU 45 HB1 LEU 45 -10.524 -3.881 -4.060 364 HG LEU 45 HG LEU 45 -7.758 -4.061 -5.244 365 HD11 LEU 45 HD11 LEU 45 -6.976 -3.216 -3.082 366 HD12 LEU 45 HD12 LEU 45 -8.649 -2.949 -2.587 367 HD13 LEU 45 HD13 LEU 45 -7.969 -2.029 -3.929 368 HD21 LEU 45 HD21 LEU 45 -7.358 -5.619 -3.398 369 HD22 LEU 45 HD22 LEU 45 -8.635 -6.192 -4.471 370 HD23 LEU 45 HD23 LEU 45 -9.047 -5.474 -2.914 371 H CYS 46 HN CYS 46 -10.649 -3.082 -7.988 372 HA CYS 46 HA CYS 46 -13.584 -3.091 -7.772 373 HB2 CYS 46 HB2 CYS 46 -12.647 -0.934 -7.019 374 HB3 CYS 46 HB1 CYS 46 -11.828 -0.757 -8.565 375 HG CYS 46 HG CYS 46 -13.848 0.942 -8.929 376 H GLU 47 HN GLU 47 -14.730 -2.817 -9.776 377 HA GLU 47 HA GLU 47 -13.284 -4.021 -12.000 378 HB2 GLU 47 HB2 GLU 47 -15.572 -4.271 -12.997 379 HB3 GLU 47 HB1 GLU 47 -15.333 -5.112 -11.471 380 HG2 GLU 47 HG1 GLU 47 -17.433 -4.158 -11.262 381 HG3 GLU 47 HG2 GLU 47 -16.377 -3.053 -10.385 382 H ARG 48 HN ARG 48 -14.425 -0.959 -11.022 383 HA ARG 48 HA ARG 48 -14.156 0.056 -13.778 384 HB2 ARG 48 HB1 ARG 48 -15.558 1.936 -13.129 385 HB3 ARG 48 HB2 ARG 48 -16.387 0.420 -12.803 386 HG2 ARG 48 HG2 ARG 48 -15.900 0.602 -10.453 387 HG3 ARG 48 HG1 ARG 48 -14.921 2.044 -10.734 388 HD2 ARG 48 HD2 ARG 48 -16.920 3.209 -11.577 389 HD3 ARG 48 HD1 ARG 48 -17.885 1.776 -11.224 390 HE ARG 48 HE ARG 48 -16.703 2.367 -8.849 391 HH11 ARG 48 HH11 ARG 48 -18.645 4.168 -11.112 392 HH12 ARG 48 HH12 ARG 48 -19.347 5.185 -9.898 393 HH21 ARG 48 HH21 ARG 48 -17.621 3.701 -7.244 394 HH22 ARG 48 HH22 ARG 48 -18.764 4.921 -7.698 395 H TYR 49 HN TYR 49 -12.341 -0.324 -11.191 396 HA TYR 49 HA TYR 49 -11.365 2.236 -10.563 397 HB2 TYR 49 HB2 TYR 49 -10.996 -0.171 -9.463 398 HB3 TYR 49 HB1 TYR 49 -9.514 -0.083 -10.410 399 HD1 TYR 49 HD2 TYR 49 -8.141 2.135 -10.144 400 HD2 TYR 49 HD1 TYR 49 -11.035 0.759 -7.349 401 HE1 TYR 49 HE2 TYR 49 -7.117 3.537 -8.403 402 HE2 TYR 49 HE1 TYR 49 -10.023 2.154 -5.601 403 HH TYR 49 HH TYR 49 -7.878 3.220 -5.103 404 H ASN 50 HN ASN 50 -10.978 3.390 -12.426 405 HA ASN 50 HA ASN 50 -9.259 2.447 -14.501 406 HB2 ASN 50 HB2 ASN 50 -10.423 5.144 -13.834 407 HB3 ASN 50 HB1 ASN 50 -9.290 4.932 -15.165 408 HD21 ASN 50 HD21 ASN 50 -11.574 2.465 -14.259 409 HD22 ASN 50 HD22 ASN 50 -12.588 2.616 -15.649 410 H GLY 51 HN GLY 51 -8.840 4.540 -11.679 411 HA2 GLY 51 HA2 GLY 51 -6.311 3.968 -10.989 412 HA3 GLY 51 HA1 GLY 51 -6.059 5.059 -12.343 413 H ALA 52 HN ALA 52 -4.930 6.068 -10.323 414 HA ALA 52 HA ALA 52 -6.312 8.432 -9.682 415 HB1 ALA 52 HB1 ALA 52 -7.626 7.065 -8.188 416 HB2 ALA 52 HB2 ALA 52 -6.571 8.118 -7.243 417 HB3 ALA 52 HB3 ALA 52 -6.165 6.414 -7.447 418 H TYR 53 HN TYR 53 -5.106 9.587 -7.743 419 HA TYR 53 HA TYR 53 -2.281 9.420 -8.400 420 HB2 TYR 53 HB2 TYR 53 -4.062 11.447 -7.169 421 HB3 TYR 53 HB1 TYR 53 -2.385 11.449 -6.633 422 HD1 TYR 53 HD1 TYR 53 -0.646 11.239 -8.675 423 HD2 TYR 53 HD2 TYR 53 -4.584 12.828 -8.937 424 HE1 TYR 53 HE1 TYR 53 0.007 12.511 -10.677 425 HE2 TYR 53 HE2 TYR 53 -3.943 14.101 -10.941 426 HH TYR 53 HH TYR 53 -1.889 14.997 -11.975 427 H TRP 54 HN TRP 54 -1.484 7.638 -7.371 428 HA TRP 54 HA TRP 54 -1.999 7.026 -4.643 429 HB2 TRP 54 HB1 TRP 54 0.432 6.003 -6.047 430 HB3 TRP 54 HB2 TRP 54 -0.690 5.154 -4.988 431 HD1 TRP 54 HD1 TRP 54 -3.297 4.894 -6.207 432 HE1 TRP 54 HE1 TRP 54 -3.784 4.115 -8.607 433 HE3 TRP 54 HE3 TRP 54 1.275 5.819 -8.304 434 HZ2 TRP 54 HZ2 TRP 54 -2.416 3.918 -11.066 435 HZ3 TRP 54 HZ3 TRP 54 1.600 5.308 -10.689 436 HH2 TRP 54 HH2 TRP 54 -0.209 4.376 -12.040 437 H HIS 55 HN HIS 55 -1.525 9.162 -3.777 438 HA HIS 55 HA HIS 55 0.884 10.471 -3.756 439 HB2 HIS 55 HB2 HIS 55 -1.071 10.216 -1.464 440 HB3 HIS 55 HB1 HIS 55 0.198 11.431 -1.585 441 HD1 HIS 55 HD1 HIS 55 -0.137 13.323 -3.351 442 HD2 HIS 55 HD2 HIS 55 -3.354 10.722 -2.956 443 HE1 HIS 55 HE1 HIS 55 -2.063 14.458 -4.503 444 HE2 HIS 55 HE2 HIS 55 -3.974 12.826 -4.328 445 H TYR 56 HN TYR 56 2.756 10.370 -2.640 446 HA TYR 56 HA TYR 56 3.411 7.830 -1.425 447 HB2 TYR 56 HB2 TYR 56 5.129 10.286 -1.845 448 HB3 TYR 56 HB1 TYR 56 5.707 8.703 -1.339 449 HD1 TYR 56 HD1 TYR 56 3.785 7.187 -3.297 450 HD2 TYR 56 HD2 TYR 56 6.559 10.375 -3.787 451 HE1 TYR 56 HE1 TYR 56 4.097 6.548 -5.651 452 HE2 TYR 56 HE2 TYR 56 6.875 9.745 -6.141 453 HH TYR 56 HH TYR 56 6.615 7.782 -7.574 454 H TYR 57 HN TYR 57 3.732 7.436 0.693 455 HA TYR 57 HA TYR 57 3.439 9.702 2.548 456 HB2 TYR 57 HB1 TYR 57 2.137 7.000 2.609 457 HB3 TYR 57 HB2 TYR 57 2.383 7.908 4.099 458 HD1 TYR 57 HD2 TYR 57 1.219 10.035 4.465 459 HD2 TYR 57 HD1 TYR 57 0.485 7.683 0.997 460 HE1 TYR 57 HE2 TYR 57 -0.831 11.319 4.037 461 HE2 TYR 57 HE1 TYR 57 -1.569 8.962 0.558 462 HH TYR 57 HH TYR 57 -3.180 10.337 1.775 463 H ALA 58 HN ALA 58 4.683 9.739 4.364 464 HA ALA 58 HA ALA 58 6.844 7.745 4.480 465 HB1 ALA 58 HB1 ALA 58 6.850 10.600 5.449 466 HB2 ALA 58 HB2 ALA 58 7.597 10.013 3.963 467 HB3 ALA 58 HB3 ALA 58 8.206 9.476 5.529 468 H LEU 59 HN LEU 59 6.428 6.284 6.006 469 HA LEU 59 HA LEU 59 4.915 6.975 8.372 470 HB2 LEU 59 HB2 LEU 59 5.989 4.459 7.190 471 HB3 LEU 59 HB1 LEU 59 5.539 4.475 8.884 472 HG LEU 59 HG LEU 59 3.603 5.422 6.798 473 HD11 LEU 59 HD21 LEU 59 4.337 3.257 6.006 474 HD12 LEU 59 HD22 LEU 59 2.706 3.143 6.667 475 HD13 LEU 59 HD23 LEU 59 4.080 2.558 7.605 476 HD21 LEU 59 HD11 LEU 59 3.268 4.109 9.491 477 HD22 LEU 59 HD12 LEU 59 1.966 4.671 8.442 478 HD23 LEU 59 HD13 LEU 59 3.092 5.831 9.149 479 H SER 60 HN SER 60 5.649 6.848 10.495 480 HA SER 60 HA SER 60 8.351 7.709 10.871 481 HB2 SER 60 HB2 SER 60 6.205 7.048 12.898 482 HB3 SER 60 HB1 SER 60 7.733 7.849 13.259 483 HG SER 60 HG SER 60 6.769 9.265 11.354 484 H ASP 61 HN ASP 61 6.979 4.665 10.613 485 HA ASP 61 HA ASP 61 8.824 3.397 12.481 486 HB2 ASP 61 HB2 ASP 61 6.380 2.680 12.128 487 HB3 ASP 61 HB1 ASP 61 6.940 1.958 10.622 488 H GLY 62 HN GLY 62 8.417 3.955 9.070 489 HA2 GLY 62 HA1 GLY 62 10.440 3.949 7.710 490 HA3 GLY 62 HA2 GLY 62 10.958 2.527 8.602 491 H GLY 63 HN GLY 63 7.641 2.587 7.807 492 HA2 GLY 63 HA2 GLY 63 8.014 0.360 5.990 493 HA3 GLY 63 HA1 GLY 63 6.482 0.969 6.597 494 H PHE 64 HN PHE 64 6.396 3.521 5.827 495 HA PHE 64 HA PHE 64 5.948 4.925 4.102 496 HB2 PHE 64 HB1 PHE 64 7.984 3.291 2.572 497 HB3 PHE 64 HB2 PHE 64 7.394 4.892 2.139 498 HD1 PHE 64 HD2 PHE 64 7.979 6.843 3.547 499 HD2 PHE 64 HD1 PHE 64 9.703 3.004 4.171 500 HE1 PHE 64 HE2 PHE 64 9.777 7.871 4.875 501 HE2 PHE 64 HE1 PHE 64 11.504 4.024 5.501 502 HZ PHE 64 HZ PHE 64 11.542 6.461 5.854 503 H TYR 65 HN TYR 65 4.087 4.887 3.057 504 HA TYR 65 HA TYR 65 3.506 2.647 1.256 505 HB2 TYR 65 HB2 TYR 65 1.470 2.110 2.212 506 HB3 TYR 65 HB1 TYR 65 2.418 2.503 3.640 507 HD1 TYR 65 HD2 TYR 65 2.093 4.713 4.763 508 HD2 TYR 65 HD1 TYR 65 -0.437 3.381 1.611 509 HE1 TYR 65 HE2 TYR 65 0.413 6.387 5.413 510 HE2 TYR 65 HE1 TYR 65 -2.123 5.055 2.252 511 HH TYR 65 HH TYR 65 -1.465 7.596 4.412 512 H MET 66 HN MET 66 1.407 3.150 -0.014 513 HA MET 66 HA MET 66 1.317 6.016 -0.717 514 HB2 MET 66 HB1 MET 66 1.026 3.811 -2.746 515 HB3 MET 66 HB2 MET 66 1.305 5.524 -3.028 516 HG2 MET 66 HG2 MET 66 3.547 5.211 -1.911 517 HG3 MET 66 HG1 MET 66 3.245 3.476 -2.004 518 HE1 MET 66 HE1 MET 66 1.502 3.636 -4.799 519 HE2 MET 66 HE2 MET 66 2.608 2.303 -4.469 520 HE3 MET 66 HE3 MET 66 2.738 3.200 -5.981 521 H ALA 67 HN ALA 67 -0.673 6.844 -1.281 522 HA ALA 67 HA ALA 67 -2.966 5.009 -1.159 523 HB1 ALA 67 HB1 ALA 67 -2.817 7.644 0.297 524 HB2 ALA 67 HB2 ALA 67 -2.686 6.054 1.047 525 HB3 ALA 67 HB3 ALA 67 -4.191 6.538 0.268 526 HA PRO 68 HA PRO 68 -3.943 7.126 -4.969 527 HB2 PRO 68 HB2 PRO 68 -6.639 6.002 -4.446 528 HB3 PRO 68 HB1 PRO 68 -5.606 5.833 -5.866 529 HG2 PRO 68 HG1 PRO 68 -5.936 3.806 -4.165 530 HG3 PRO 68 HG2 PRO 68 -4.366 4.117 -4.929 531 HD2 PRO 68 HD2 PRO 68 -5.278 4.735 -2.148 532 HD3 PRO 68 HD1 PRO 68 -3.700 4.151 -2.714 533 H ASP 69 HN ASP 69 -5.434 8.789 -5.703 534 HA ASP 69 HA ASP 69 -6.429 10.392 -3.454 535 HB2 ASP 69 HB2 ASP 69 -4.719 11.412 -4.941 536 HB3 ASP 69 HB1 ASP 69 -5.844 11.268 -6.288 537 H LEU 70 HN LEU 70 -8.432 9.326 -3.218 538 HA LEU 70 HA LEU 70 -10.418 10.183 -5.195 539 HB2 LEU 70 HB1 LEU 70 -10.327 7.397 -4.035 540 HB3 LEU 70 HB2 LEU 70 -11.561 8.027 -5.107 541 HG LEU 70 HG LEU 70 -8.658 7.703 -5.870 542 HD11 LEU 70 HD21 LEU 70 -11.028 5.953 -6.508 543 HD12 LEU 70 HD22 LEU 70 -9.684 5.535 -5.446 544 HD13 LEU 70 HD23 LEU 70 -9.404 5.774 -7.170 545 HD21 LEU 70 HD11 LEU 70 -11.112 8.309 -7.513 546 HD22 LEU 70 HD12 LEU 70 -9.489 8.034 -8.147 547 HD23 LEU 70 HD13 LEU 70 -9.812 9.437 -7.129 548 H ALA 71 HN ALA 71 -11.745 11.468 -4.114 549 HA ALA 71 HA ALA 71 -12.149 11.143 -1.262 550 HB1 ALA 71 HB1 ALA 71 -13.372 13.242 -1.392 551 HB2 ALA 71 HB2 ALA 71 -13.295 13.194 -3.154 552 HB3 ALA 71 HB3 ALA 71 -11.816 13.379 -2.211 553 H GLY 72 HN GLY 72 -14.314 11.149 -0.316 554 HA2 GLY 72 HA1 GLY 72 -16.581 10.595 -0.270 555 HA3 GLY 72 HA2 GLY 72 -16.510 10.258 -1.993 556 H ARG 73 HN ARG 73 -17.622 8.313 -1.788 557 HA ARG 73 HA ARG 73 -16.097 6.151 -0.518 558 HB2 ARG 73 HB2 ARG 73 -18.276 5.003 -0.150 559 HB3 ARG 73 HB1 ARG 73 -18.109 6.496 0.762 560 HG2 ARG 73 HG1 ARG 73 -19.469 7.657 -0.921 561 HG3 ARG 73 HG2 ARG 73 -19.667 6.134 -1.788 562 HD2 ARG 73 HD1 ARG 73 -20.552 6.670 1.044 563 HD3 ARG 73 HD2 ARG 73 -21.604 6.647 -0.371 564 HE ARG 73 HE ARG 73 -20.472 4.215 -0.466 565 HH11 ARG 73 HH11 ARG 73 -22.008 5.971 2.121 566 HH12 ARG 73 HH12 ARG 73 -22.594 4.548 2.914 567 HH21 ARG 73 HH21 ARG 73 -21.240 2.335 0.569 568 HH22 ARG 73 HH22 ARG 73 -22.158 2.479 2.031 569 H LEU 74 HN LEU 74 -15.546 4.533 -1.781 570 HA LEU 74 HA LEU 74 -16.889 4.210 -4.375 571 HB2 LEU 74 HB1 LEU 74 -14.682 3.645 -5.366 572 HB3 LEU 74 HB2 LEU 74 -14.832 5.314 -4.858 573 HG LEU 74 HG LEU 74 -13.544 3.312 -3.039 574 HD11 LEU 74 HD11 LEU 74 -12.191 4.777 -5.300 575 HD12 LEU 74 HD12 LEU 74 -12.418 3.032 -5.175 576 HD13 LEU 74 HD13 LEU 74 -11.373 3.870 -4.028 577 HD21 LEU 74 HD21 LEU 74 -14.082 5.519 -2.156 578 HD22 LEU 74 HD22 LEU 74 -13.175 6.274 -3.466 579 HD23 LEU 74 HD23 LEU 74 -12.337 5.291 -2.266 580 H GLU 75 HN GLU 75 -17.486 2.196 -4.858 581 HA GLU 75 HA GLU 75 -17.302 0.132 -2.947 582 HB2 GLU 75 HB2 GLU 75 -18.266 -1.298 -4.773 583 HB3 GLU 75 HB1 GLU 75 -19.182 0.159 -4.413 584 HG2 GLU 75 HG2 GLU 75 -18.255 1.260 -6.357 585 HG3 GLU 75 HG1 GLU 75 -17.248 -0.147 -6.699 586 H ILE 76 HN ILE 76 -15.532 -0.940 -2.445 587 HA ILE 76 HA ILE 76 -13.749 -1.797 -4.624 588 HB ILE 76 HB ILE 76 -13.089 -0.545 -2.008 589 HG12 ILE 76 HG12 ILE 76 -12.923 0.524 -4.328 590 HG13 ILE 76 HG11 ILE 76 -11.511 0.667 -3.284 591 HG21 ILE 76 HG21 ILE 76 -11.580 -2.827 -3.207 592 HG22 ILE 76 HG22 ILE 76 -11.976 -2.515 -1.518 593 HG23 ILE 76 HG23 ILE 76 -10.728 -1.562 -2.323 594 HD11 ILE 76 HD11 ILE 76 -10.968 0.147 -5.632 595 HD12 ILE 76 HD12 ILE 76 -11.828 -1.382 -5.462 596 HD13 ILE 76 HD13 ILE 76 -10.386 -1.071 -4.498 597 H GLU 77 HN GLU 77 -14.251 -3.865 -4.903 598 HA GLU 77 HA GLU 77 -14.932 -5.593 -2.698 599 HB2 GLU 77 HB1 GLU 77 -14.476 -6.253 -5.613 600 HB3 GLU 77 HB2 GLU 77 -15.162 -7.336 -4.411 601 HG2 GLU 77 HG2 GLU 77 -17.048 -5.800 -4.115 602 HG3 GLU 77 HG1 GLU 77 -16.367 -4.747 -5.355 603 H VAL 78 HN VAL 78 -13.596 -6.872 -1.587 604 HA VAL 78 HA VAL 78 -10.785 -6.909 -2.358 605 HB VAL 78 HB VAL 78 -12.075 -7.816 0.214 606 HG11 VAL 78 HG11 VAL 78 -9.816 -7.586 1.118 607 HG12 VAL 78 HG12 VAL 78 -9.225 -7.203 -0.498 608 HG13 VAL 78 HG13 VAL 78 -9.910 -8.793 -0.164 609 HG21 VAL 78 HG21 VAL 78 -11.298 -5.666 1.142 610 HG22 VAL 78 HG22 VAL 78 -12.512 -5.452 -0.119 611 HG23 VAL 78 HG23 VAL 78 -10.809 -5.164 -0.476 612 H ASN 79 HN ASN 79 -10.659 -8.578 -3.940 613 HA ASN 79 HA ASN 79 -11.880 -11.124 -3.445 614 HB2 ASN 79 HB2 ASN 79 -9.704 -10.870 -5.446 615 HB3 ASN 79 HB1 ASN 79 -11.293 -11.615 -5.598 616 HD21 ASN 79 HD21 ASN 79 -9.567 -8.568 -5.548 617 HD22 ASN 79 HD22 ASN 79 -10.737 -7.673 -6.451 618 H GLY 80 HN GLY 80 -9.774 -9.959 -1.581 619 HA2 GLY 80 HA1 GLY 80 -7.638 -11.946 -1.820 620 HA3 GLY 80 HA2 GLY 80 -7.670 -10.581 -0.710 621 H ASN 81 HN ASN 81 -10.568 -11.395 -0.201 622 HA ASN 81 HA ASN 81 -10.404 -13.904 1.168 623 HB2 ASN 81 HB2 ASN 81 -10.782 -13.037 3.413 624 HB3 ASN 81 HB1 ASN 81 -9.255 -12.435 2.778 625 HD21 ASN 81 HD21 ASN 81 -9.087 -10.266 2.185 626 HD22 ASN 81 HD22 ASN 81 -10.210 -9.083 2.751 627 H GLY 82 HN GLY 82 -12.054 -12.030 -0.723 628 HA2 GLY 82 HA1 GLY 82 -14.255 -12.068 -1.365 629 HA3 GLY 82 HA2 GLY 82 -14.579 -13.159 -0.028 630 H PHE 83 HN PHE 83 -13.044 -10.219 0.867 631 HA PHE 83 HA PHE 83 -15.459 -9.403 2.226 632 HB2 PHE 83 HB2 PHE 83 -13.470 -9.244 3.526 633 HB3 PHE 83 HB1 PHE 83 -12.633 -8.350 2.260 634 HD1 PHE 83 HD2 PHE 83 -15.852 -7.987 4.129 635 HD2 PHE 83 HD1 PHE 83 -12.261 -6.155 2.765 636 HE1 PHE 83 HE2 PHE 83 -16.548 -5.864 5.159 637 HE2 PHE 83 HE1 PHE 83 -12.951 -4.029 3.793 638 HZ PHE 83 HZ PHE 83 -15.097 -3.882 4.992 639 H ARG 84 HN ARG 84 -16.859 -8.663 0.665 640 HA ARG 84 HA ARG 84 -16.021 -6.574 -1.157 641 HB2 ARG 84 HB2 ARG 84 -17.647 -8.216 -1.938 642 HB3 ARG 84 HB1 ARG 84 -18.738 -7.798 -0.624 643 HG2 ARG 84 HG1 ARG 84 -19.122 -5.624 -1.547 644 HG3 ARG 84 HG2 ARG 84 -17.880 -5.877 -2.776 645 HD2 ARG 84 HD2 ARG 84 -20.164 -6.168 -3.656 646 HD3 ARG 84 HD1 ARG 84 -19.187 -7.629 -3.797 647 HE ARG 84 HE ARG 84 -20.669 -7.685 -1.395 648 HH11 ARG 84 HH11 ARG 84 -21.061 -7.986 -4.843 649 HH12 ARG 84 HH12 ARG 84 -22.445 -9.020 -4.725 650 HH21 ARG 84 HH21 ARG 84 -22.491 -9.049 -1.230 651 HH22 ARG 84 HH22 ARG 84 -23.258 -9.623 -2.672 652 H GLY 85 HN GLY 85 -15.792 -4.556 -0.416 653 HA2 GLY 85 HA1 GLY 85 -17.928 -3.374 1.142 654 HA3 GLY 85 HA2 GLY 85 -16.433 -3.565 2.039 655 H GLU 86 HN GLU 86 -18.047 -1.215 1.006 656 HA GLU 86 HA GLU 86 -16.355 0.121 -0.877 657 HB2 GLU 86 HB2 GLU 86 -18.468 1.263 0.966 658 HB3 GLU 86 HB1 GLU 86 -17.745 2.090 -0.405 659 HG2 GLU 86 HG2 GLU 86 -19.871 1.334 -1.095 660 HG3 GLU 86 HG1 GLU 86 -18.682 0.291 -1.870 661 H LEU 87 HN LEU 87 -14.685 1.507 -0.498 662 HA LEU 87 HA LEU 87 -14.199 2.517 2.175 663 HB2 LEU 87 HB1 LEU 87 -13.191 0.176 1.980 664 HB3 LEU 87 HB2 LEU 87 -12.049 0.879 0.853 665 HG LEU 87 HG LEU 87 -11.224 2.382 2.599 666 HD11 LEU 87 HD21 LEU 87 -13.273 2.654 3.880 667 HD12 LEU 87 HD22 LEU 87 -11.961 2.100 4.919 668 HD13 LEU 87 HD23 LEU 87 -13.201 0.966 4.383 669 HD21 LEU 87 HD11 LEU 87 -10.170 0.689 4.026 670 HD22 LEU 87 HD12 LEU 87 -10.156 0.217 2.327 671 HD23 LEU 87 HD13 LEU 87 -11.317 -0.513 3.437 672 H SER 88 HN SER 88 -12.696 4.228 2.246 673 HA SER 88 HA SER 88 -12.555 5.751 -0.163 674 HB2 SER 88 HB2 SER 88 -11.357 7.411 1.220 675 HB3 SER 88 HB1 SER 88 -12.828 6.846 2.011 676 HG SER 88 HG SER 88 -10.760 6.949 3.272 677 H ALA 89 HN ALA 89 -10.559 6.642 -1.067 678 HA ALA 89 HA ALA 89 -8.737 4.628 -1.785 679 HB1 ALA 89 HB1 ALA 89 -8.673 7.615 -2.101 680 HB2 ALA 89 HB2 ALA 89 -9.050 6.389 -3.314 681 HB3 ALA 89 HB3 ALA 89 -7.398 6.566 -2.724 682 H ASP 90 HN ASP 90 -8.921 6.454 1.038 683 HA ASP 90 HA ASP 90 -6.087 6.531 1.575 684 HB2 ASP 90 HB1 ASP 90 -7.478 8.323 2.448 685 HB3 ASP 90 HB2 ASP 90 -8.481 7.163 3.316 686 H ALA 91 HN ALA 91 -8.886 4.972 3.156 687 HA ALA 91 HA ALA 91 -7.229 3.202 4.666 688 HB1 ALA 91 HB1 ALA 91 -10.200 3.077 4.161 689 HB2 ALA 91 HB2 ALA 91 -9.414 3.933 5.487 690 HB3 ALA 91 HB3 ALA 91 -9.316 2.173 5.392 691 H ALA 92 HN ALA 92 -8.210 3.188 1.446 692 HA ALA 92 HA ALA 92 -8.176 0.272 1.228 693 HB1 ALA 92 HB1 ALA 92 -8.899 0.609 -1.071 694 HB2 ALA 92 HB2 ALA 92 -8.723 2.354 -0.886 695 HB3 ALA 92 HB3 ALA 92 -9.948 1.488 0.041 696 H GLY 93 HN GLY 93 -6.383 3.147 0.274 697 HA2 GLY 93 HA2 GLY 93 -4.527 1.939 -1.446 698 HA3 GLY 93 HA1 GLY 93 -4.238 3.401 -0.509 699 H ILE 94 HN ILE 94 -4.927 1.723 1.939 700 HA ILE 94 HA ILE 94 -2.265 1.102 2.701 701 HB ILE 94 HB ILE 94 -4.614 -0.086 4.129 702 HG12 ILE 94 HG12 ILE 94 -5.365 2.171 3.611 703 HG13 ILE 94 HG11 ILE 94 -4.963 2.054 5.320 704 HG21 ILE 94 HG21 ILE 94 -3.271 0.465 6.105 705 HG22 ILE 94 HG22 ILE 94 -2.044 1.180 5.061 706 HG23 ILE 94 HG23 ILE 94 -2.386 -0.547 4.964 707 HD11 ILE 94 HD11 ILE 94 -2.900 3.215 4.972 708 HD12 ILE 94 HD12 ILE 94 -4.216 4.150 4.257 709 HD13 ILE 94 HD13 ILE 94 -3.143 3.204 3.225 710 H VAL 95 HN VAL 95 -5.002 -0.810 1.613 711 HA VAL 95 HA VAL 95 -3.658 -3.333 1.957 712 HB VAL 95 HB VAL 95 -6.248 -2.675 0.543 713 HG11 VAL 95 HG21 VAL 95 -6.747 -5.063 0.792 714 HG12 VAL 95 HG22 VAL 95 -5.135 -5.324 1.459 715 HG13 VAL 95 HG23 VAL 95 -5.323 -4.791 -0.212 716 HG21 VAL 95 HG11 VAL 95 -6.277 -2.077 2.918 717 HG22 VAL 95 HG12 VAL 95 -5.774 -3.715 3.334 718 HG23 VAL 95 HG13 VAL 95 -7.343 -3.439 2.578 719 H ALA 96 HN ALA 96 -4.010 -0.961 -0.545 720 HA ALA 96 HA ALA 96 -3.572 -2.614 -2.794 721 HB1 ALA 96 HB1 ALA 96 -3.117 -0.564 -3.993 722 HB2 ALA 96 HB2 ALA 96 -2.921 0.311 -2.475 723 HB3 ALA 96 HB3 ALA 96 -4.500 -0.340 -2.921 724 H THR 97 HN THR 97 -1.332 -0.638 -0.855 725 HA THR 97 HA THR 97 0.948 -1.567 -2.351 726 HB THR 97 HB THR 97 1.288 0.607 -1.620 727 HG1 THR 97 HG1 THR 97 3.018 0.440 -0.178 728 HG21 THR 97 HG21 THR 97 -0.557 0.783 -0.068 729 HG22 THR 97 HG22 THR 97 0.919 1.362 0.702 730 HG23 THR 97 HG23 THR 97 0.286 -0.236 1.099 731 H LEU 98 HN LEU 98 -0.486 -2.248 0.823 732 HA LEU 98 HA LEU 98 1.504 -3.685 2.016 733 HB2 LEU 98 HB2 LEU 98 -1.013 -3.159 2.666 734 HB3 LEU 98 HB1 LEU 98 -1.253 -4.802 2.104 735 HG LEU 98 HG LEU 98 0.774 -5.289 3.716 736 HD11 LEU 98 HD11 LEU 98 1.193 -2.978 4.315 737 HD12 LEU 98 HD12 LEU 98 0.668 -3.893 5.728 738 HD13 LEU 98 HD13 LEU 98 -0.460 -2.814 4.907 739 HD21 LEU 98 HD21 LEU 98 -0.839 -5.807 5.487 740 HD22 LEU 98 HD22 LEU 98 -1.428 -6.295 3.897 741 HD23 LEU 98 HD23 LEU 98 -2.049 -4.829 4.656 742 H PHE 99 HN PHE 99 -1.000 -5.015 -0.154 743 HA PHE 99 HA PHE 99 -0.005 -7.626 -0.236 744 HB2 PHE 99 HB1 PHE 99 -1.796 -6.006 -1.989 745 HB3 PHE 99 HB2 PHE 99 -1.184 -7.536 -2.611 746 HD1 PHE 99 HD2 PHE 99 -3.313 -5.951 -0.079 747 HD2 PHE 99 HD1 PHE 99 -1.886 -9.631 -1.681 748 HE1 PHE 99 HE2 PHE 99 -5.064 -7.167 1.149 749 HE2 PHE 99 HE1 PHE 99 -3.636 -10.849 -0.454 750 HZ PHE 99 HZ PHE 99 -5.227 -9.617 0.964 751 H ALA 100 HN ALA 100 0.872 -4.767 -2.055 752 HA ALA 100 HA ALA 100 2.368 -5.941 -4.099 753 HB1 ALA 100 HB1 ALA 100 3.473 -3.784 -4.318 754 HB2 ALA 100 HB2 ALA 100 2.877 -3.300 -2.731 755 HB3 ALA 100 HB3 ALA 100 1.742 -3.567 -4.056 756 H LEU 101 HN LEU 101 3.307 -4.957 -0.831 757 HA LEU 101 HA LEU 101 6.039 -5.499 -0.992 758 HB2 LEU 101 HB2 LEU 101 4.240 -5.834 1.411 759 HB3 LEU 101 HB1 LEU 101 5.984 -5.677 1.449 760 HG LEU 101 HG LEU 101 4.084 -3.533 0.492 761 HD11 LEU 101 HD21 LEU 101 4.666 -2.387 2.582 762 HD12 LEU 101 HD22 LEU 101 5.584 -3.803 3.095 763 HD13 LEU 101 HD23 LEU 101 3.837 -3.915 2.879 764 HD21 LEU 101 HD11 LEU 101 6.270 -3.407 -0.571 765 HD22 LEU 101 HD12 LEU 101 7.055 -3.478 1.007 766 HD23 LEU 101 HD13 LEU 101 6.057 -2.088 0.580 767 H GLY 102 HN GLY 102 3.317 -7.613 -0.210 768 HA2 GLY 102 HA2 GLY 102 4.887 -9.880 0.474 769 HA3 GLY 102 HA1 GLY 102 3.178 -9.889 0.073 770 H GLN 103 HN GLN 103 3.734 -8.631 -2.580 771 HA GLN 103 HA GLN 103 4.125 -11.088 -4.008 772 HB2 GLN 103 HB2 GLN 103 2.545 -9.211 -4.671 773 HB3 GLN 103 HB1 GLN 103 3.967 -8.326 -5.209 774 HG2 GLN 103 HG2 GLN 103 4.494 -10.134 -6.774 775 HG3 GLN 103 HG1 GLN 103 3.052 -11.001 -6.245 776 HE21 GLN 103 HE22 GLN 103 4.288 -8.353 -8.092 777 HE22 GLN 103 HE21 GLN 103 2.809 -7.940 -8.883 778 H LEU 104 HN LEU 104 5.929 -8.042 -3.720 779 HA LEU 104 HA LEU 104 8.009 -8.650 -5.484 780 HB2 LEU 104 HB1 LEU 104 7.967 -6.938 -3.003 781 HB3 LEU 104 HB2 LEU 104 9.341 -7.020 -4.087 782 HG LEU 104 HG LEU 104 6.583 -6.131 -4.932 783 HD11 LEU 104 HD21 LEU 104 8.995 -4.475 -4.205 784 HD12 LEU 104 HD22 LEU 104 7.491 -4.582 -3.290 785 HD13 LEU 104 HD23 LEU 104 7.496 -3.861 -4.900 786 HD21 LEU 104 HD11 LEU 104 7.960 -7.027 -6.737 787 HD22 LEU 104 HD12 LEU 104 9.265 -5.927 -6.294 788 HD23 LEU 104 HD13 LEU 104 7.741 -5.285 -6.905 789 H ALA 105 HN ALA 105 7.708 -9.239 -2.009 790 HA ALA 105 HA ALA 105 10.238 -10.329 -1.550 791 HB1 ALA 105 HB1 ALA 105 8.706 -9.671 0.239 792 HB2 ALA 105 HB2 ALA 105 9.265 -11.330 0.448 793 HB3 ALA 105 HB3 ALA 105 7.644 -11.017 -0.172 794 H ALA 106 HN ALA 106 7.302 -11.778 -2.824 795 HA ALA 106 HA ALA 106 8.331 -14.467 -2.717 796 HB1 ALA 106 HB1 ALA 106 6.261 -15.087 -3.842 797 HB2 ALA 106 HB2 ALA 106 5.883 -13.384 -4.104 798 HB3 ALA 106 HB3 ALA 106 5.941 -14.033 -2.465 799 H GLU 107 HN GLU 107 8.302 -11.865 -5.028 800 HA GLU 107 HA GLU 107 8.655 -13.348 -7.384 801 HB2 GLU 107 HB2 GLU 107 9.458 -10.547 -6.614 802 HB3 GLU 107 HB1 GLU 107 9.681 -11.195 -8.229 803 HG2 GLU 107 HG2 GLU 107 7.065 -10.851 -6.789 804 HG3 GLU 107 HG1 GLU 107 7.668 -9.871 -8.124 805 H ILE 108 HN ILE 108 10.929 -12.173 -4.967 806 HA ILE 108 HA ILE 108 13.228 -13.045 -6.495 807 HB ILE 108 HB ILE 108 14.530 -12.357 -4.494 808 HG12 ILE 108 HG12 ILE 108 11.827 -11.503 -3.426 809 HG13 ILE 108 HG11 ILE 108 12.786 -12.845 -2.808 810 HG21 ILE 108 HG21 ILE 108 12.573 -10.313 -5.539 811 HG22 ILE 108 HG22 ILE 108 14.096 -10.782 -6.295 812 HG23 ILE 108 HG23 ILE 108 14.102 -9.955 -4.736 813 HD11 ILE 108 HD11 ILE 108 12.999 -10.880 -1.401 814 HD12 ILE 108 HD12 ILE 108 13.590 -9.946 -2.776 815 HD13 ILE 108 HD13 ILE 108 14.542 -11.292 -2.149 816 H ALA 109 HN ALA 109 11.099 -14.943 -5.468 817 HA ALA 109 HA ALA 109 10.969 -17.058 -4.640 818 HB1 ALA 109 HB1 ALA 109 12.954 -18.457 -4.797 819 HB2 ALA 109 HB2 ALA 109 13.967 -17.024 -4.976 820 HB3 ALA 109 HB3 ALA 109 12.798 -17.439 -6.229 821 H ASP 110 HN ASP 110 12.492 -18.559 -2.943 822 HA ASP 110 HA ASP 110 12.811 -16.862 -0.560 823 HB2 ASP 110 HB1 ASP 110 11.849 -18.762 0.775 824 HB3 ASP 110 HB2 ASP 110 10.699 -17.964 -0.293 825 H THR 111 HN THR 111 14.908 -16.895 -0.097 826 HA THR 111 HA THR 111 16.206 -19.416 0.455 827 HB THR 111 HB THR 111 17.406 -17.577 -1.626 828 HG1 THR 111 HG1 THR 111 17.042 -19.425 -3.004 829 HG21 THR 111 HG21 THR 111 19.085 -18.655 -0.213 830 HG22 THR 111 HG22 THR 111 19.114 -19.323 -1.845 831 HG23 THR 111 HG23 THR 111 18.356 -20.229 -0.535 832 H ASP 112 HN ASP 112 17.576 -16.243 -0.357 833 HA ASP 112 HA ASP 112 18.656 -16.098 2.370 834 HB2 ASP 112 HB1 ASP 112 20.322 -16.049 0.577 835 HB3 ASP 112 HB2 ASP 112 19.519 -14.660 -0.148 836 H ALA 113 HN ALA 113 16.965 -14.194 -0.087 837 HA ALA 113 HA ALA 113 16.442 -12.094 1.892 838 HB1 ALA 113 HB1 ALA 113 15.714 -10.738 0.002 839 HB2 ALA 113 HB2 ALA 113 15.935 -12.112 -1.082 840 HB3 ALA 113 HB3 ALA 113 17.329 -11.389 -0.278 841 H ALA 114 HN ALA 114 14.057 -11.359 0.116 842 HA ALA 114 HA ALA 114 11.802 -11.661 0.065 843 HB1 ALA 114 HB1 ALA 114 10.898 -13.910 0.130 844 HB2 ALA 114 HB2 ALA 114 12.425 -14.525 0.761 845 HB3 ALA 114 HB3 ALA 114 12.349 -13.862 -0.871 846 H ASP 115 HN ASP 115 13.630 -11.893 2.775 847 HA ASP 115 HA ASP 115 11.260 -11.841 4.513 848 HB2 ASP 115 HB1 ASP 115 13.968 -13.025 5.168 849 HB3 ASP 115 HB2 ASP 115 12.633 -12.857 6.304 850 H ALA 116 HN ALA 116 13.861 -10.163 3.284 851 HA ALA 116 HA ALA 116 14.383 -8.565 5.648 852 HB1 ALA 116 HB1 ALA 116 15.428 -8.302 2.830 853 HB2 ALA 116 HB2 ALA 116 16.238 -9.118 4.168 854 HB3 ALA 116 HB3 ALA 116 15.980 -7.375 4.225 855 H LEU 117 HN LEU 117 13.197 -7.948 2.328 856 HA LEU 117 HA LEU 117 12.370 -5.308 2.854 857 HB2 LEU 117 HB2 LEU 117 11.381 -5.309 0.728 858 HB3 LEU 117 HB1 LEU 117 12.753 -6.387 0.585 859 HG LEU 117 HG LEU 117 11.051 -7.427 -0.627 860 HD11 LEU 117 HD11 LEU 117 12.236 -8.883 1.044 861 HD12 LEU 117 HD12 LEU 117 10.690 -9.491 0.454 862 HD13 LEU 117 HD13 LEU 117 10.794 -8.757 2.052 863 HD21 LEU 117 HD21 LEU 117 9.184 -6.072 0.108 864 HD22 LEU 117 HD22 LEU 117 9.179 -6.889 1.671 865 HD23 LEU 117 HD23 LEU 117 8.778 -7.786 0.206 866 H ILE 118 HN ILE 118 11.069 -8.306 3.737 867 HA ILE 118 HA ILE 118 8.324 -7.763 3.819 868 HB ILE 118 HB ILE 118 10.074 -9.612 5.425 869 HG12 ILE 118 HG12 ILE 118 9.682 -10.170 3.067 870 HG13 ILE 118 HG11 ILE 118 8.919 -11.344 4.135 871 HG21 ILE 118 HG21 ILE 118 7.067 -9.461 5.592 872 HG22 ILE 118 HG22 ILE 118 8.176 -8.880 6.835 873 HG23 ILE 118 HG23 ILE 118 8.120 -10.599 6.434 874 HD11 ILE 118 HD11 ILE 118 6.760 -10.267 3.776 875 HD12 ILE 118 HD12 ILE 118 7.484 -10.805 2.261 876 HD13 ILE 118 HD13 ILE 118 7.525 -9.097 2.700 877 H ASP 119 HN ASP 119 10.946 -6.728 5.801 878 HA ASP 119 HA ASP 119 9.810 -6.131 8.221 879 HB2 ASP 119 HB2 ASP 119 12.002 -4.995 6.592 880 HB3 ASP 119 HB1 ASP 119 11.384 -3.959 7.872 881 H ARG 120 HN ARG 120 9.758 -4.150 5.281 882 HA ARG 120 HA ARG 120 8.427 -1.927 6.278 883 HB2 ARG 120 HB1 ARG 120 8.433 -3.164 3.528 884 HB3 ARG 120 HB2 ARG 120 7.620 -1.647 3.879 885 HG2 ARG 120 HG1 ARG 120 9.746 -1.135 2.954 886 HG3 ARG 120 HG2 ARG 120 9.806 -0.743 4.673 887 HD2 ARG 120 HD2 ARG 120 10.994 -2.788 5.143 888 HD3 ARG 120 HD1 ARG 120 10.833 -3.308 3.466 889 HE ARG 120 HE ARG 120 12.134 -0.892 3.360 890 HH11 ARG 120 HH11 ARG 120 12.704 -3.984 4.862 891 HH12 ARG 120 HH12 ARG 120 14.429 -3.845 4.790 892 HH21 ARG 120 HH21 ARG 120 14.403 -0.700 3.262 893 HH22 ARG 120 HH22 ARG 120 15.395 -1.979 3.881 894 H TYR 121 HN TYR 121 7.143 -4.984 5.080 895 HA TYR 121 HA TYR 121 4.441 -4.317 4.966 896 HB2 TYR 121 HB2 TYR 121 5.377 -6.420 4.079 897 HB3 TYR 121 HB1 TYR 121 5.657 -6.983 5.725 898 HD1 TYR 121 HD1 TYR 121 3.593 -7.222 7.251 899 HD2 TYR 121 HD2 TYR 121 3.348 -6.858 3.019 900 HE1 TYR 121 HE1 TYR 121 1.338 -8.200 7.304 901 HE2 TYR 121 HE2 TYR 121 1.090 -7.832 3.061 902 HH TYR 121 HH TYR 121 -0.268 -9.271 4.510 903 H HIS 122 HN HIS 122 6.272 -5.745 7.662 904 HA HIS 122 HA HIS 122 4.150 -5.860 9.490 905 HB2 HIS 122 HB1 HIS 122 7.119 -5.579 9.983 906 HB3 HIS 122 HB2 HIS 122 5.934 -5.962 11.227 907 HD1 HIS 122 HD1 HIS 122 5.140 -8.365 11.388 908 HD2 HIS 122 HD2 HIS 122 7.552 -7.656 8.081 909 HE1 HIS 122 HE1 HIS 122 5.665 -10.635 10.440 910 HE2 HIS 122 HE2 HIS 122 7.198 -10.184 8.493 911 H PHE 123 HN PHE 123 6.337 -3.262 8.635 912 HA PHE 123 HA PHE 123 5.786 -1.567 10.823 913 HB2 PHE 123 HB1 PHE 123 6.634 -0.788 8.027 914 HB3 PHE 123 HB2 PHE 123 6.771 0.210 9.471 915 HD1 PHE 123 HD2 PHE 123 7.601 -2.357 11.168 916 HD2 PHE 123 HD1 PHE 123 9.025 -0.508 7.608 917 HE1 PHE 123 HE2 PHE 123 9.841 -3.280 11.590 918 HE2 PHE 123 HE1 PHE 123 11.268 -1.430 8.025 919 HZ PHE 123 HZ PHE 123 11.679 -2.817 10.017 920 H LEU 124 HN LEU 124 4.509 -1.475 7.486 921 HA LEU 124 HA LEU 124 2.627 0.566 8.006 922 HB2 LEU 124 HB2 LEU 124 3.315 0.110 5.749 923 HB3 LEU 124 HB1 LEU 124 2.750 -1.546 5.856 924 HG LEU 124 HG LEU 124 0.435 -0.781 5.944 925 HD11 LEU 124 HD11 LEU 124 1.615 1.987 5.746 926 HD12 LEU 124 HD12 LEU 124 0.734 1.314 7.119 927 HD13 LEU 124 HD13 LEU 124 -0.097 1.595 5.589 928 HD21 LEU 124 HD21 LEU 124 1.952 0.513 3.683 929 HD22 LEU 124 HD22 LEU 124 0.248 0.060 3.680 930 HD23 LEU 124 HD23 LEU 124 1.491 -1.188 3.765 931 H ARG 125 HN ARG 125 2.409 -2.948 8.002 932 HA ARG 125 HA ARG 125 -0.263 -3.385 8.305 933 HB2 ARG 125 HB2 ARG 125 1.273 -5.227 8.160 934 HB3 ARG 125 HB1 ARG 125 2.033 -4.780 9.680 935 HG2 ARG 125 HG1 ARG 125 0.602 -6.705 9.976 936 HG3 ARG 125 HG2 ARG 125 -0.031 -5.323 10.872 937 HD2 ARG 125 HD1 ARG 125 -1.627 -4.892 9.064 938 HD3 ARG 125 HD2 ARG 125 -1.002 -6.288 8.186 939 HE ARG 125 HE ARG 125 -1.795 -7.642 10.109 940 HH11 ARG 125 HH11 ARG 125 -3.184 -4.507 9.493 941 HH12 ARG 125 HH12 ARG 125 -4.689 -4.879 10.264 942 HH21 ARG 125 HH21 ARG 125 -3.773 -8.143 11.127 943 HH22 ARG 125 HH22 ARG 125 -5.025 -6.947 11.194 944 H GLY 126 HN GLY 126 1.973 -2.203 10.773 945 HA2 GLY 126 HA1 GLY 126 0.139 -2.454 12.938 946 HA3 GLY 126 HA2 GLY 126 1.615 -1.501 12.928 947 H PHE 127 HN PHE 127 0.836 0.106 10.621 948 HA PHE 127 HA PHE 127 -0.563 2.146 12.023 949 HB2 PHE 127 HB2 PHE 127 1.173 2.573 10.285 950 HB3 PHE 127 HB1 PHE 127 0.049 1.982 9.065 951 HD1 PHE 127 HD1 PHE 127 0.132 4.471 11.845 952 HD2 PHE 127 HD2 PHE 127 -1.154 3.540 7.897 953 HE1 PHE 127 HE1 PHE 127 -0.806 6.734 11.621 954 HE2 PHE 127 HE2 PHE 127 -2.094 5.801 7.667 955 HZ PHE 127 HZ PHE 127 -1.921 7.401 9.530 956 H ALA 128 HN ALA 128 -1.498 -0.402 9.872 957 HA ALA 128 HA ALA 128 -3.946 0.597 8.946 958 HB1 ALA 128 HB1 ALA 128 -2.878 -1.381 7.992 959 HB2 ALA 128 HB2 ALA 128 -4.528 -1.737 8.503 960 HB3 ALA 128 HB3 ALA 128 -3.166 -2.268 9.489 961 H ALA 129 HN ALA 129 -3.009 -0.862 11.980 962 HA ALA 129 HA ALA 129 -5.683 -1.322 12.907 963 HB1 ALA 129 HB1 ALA 129 -3.100 -1.190 14.460 964 HB2 ALA 129 HB2 ALA 129 -3.796 -2.640 13.737 965 HB3 ALA 129 HB3 ALA 129 -4.638 -1.820 15.052 966 H GLY 130 HN GLY 130 -3.510 1.366 12.866 967 HA2 GLY 130 HA1 GLY 130 -4.820 2.805 15.001 968 HA3 GLY 130 HA2 GLY 130 -3.570 3.428 13.933 969 H HIS 131 HN HIS 131 -5.421 2.287 11.702 970 HA HIS 131 HA HIS 131 -6.639 4.775 11.053 971 HB2 HIS 131 HB2 HIS 131 -6.477 2.071 9.823 972 HB3 HIS 131 HB1 HIS 131 -7.794 3.115 9.297 973 HD1 HIS 131 HD1 HIS 131 -7.074 5.414 8.177 974 HD2 HIS 131 HD2 HIS 131 -4.022 2.651 8.747 975 HE1 HIS 131 HE1 HIS 131 -5.186 6.184 6.706 976 HE2 HIS 131 HE2 HIS 131 -3.375 4.462 7.017 977 HA PRO 132 HA PRO 132 -10.587 4.324 12.999 978 HB2 PRO 132 HB1 PRO 132 -12.150 5.747 11.283 979 HB3 PRO 132 HB2 PRO 132 -11.034 6.504 12.424 980 HG2 PRO 132 HG2 PRO 132 -10.682 5.958 9.503 981 HG3 PRO 132 HG1 PRO 132 -10.237 7.400 10.434 982 HD2 PRO 132 HD1 PRO 132 -8.434 5.510 9.720 983 HD3 PRO 132 HD2 PRO 132 -8.294 6.443 11.224 984 H GLU 133 HN GLU 133 -9.825 3.089 9.963 985 HA GLU 133 HA GLU 133 -12.306 1.498 9.886 986 HB2 GLU 133 HB2 GLU 133 -10.593 2.524 7.624 987 HB3 GLU 133 HB1 GLU 133 -11.753 1.219 7.410 988 HG2 GLU 133 HG1 GLU 133 -12.904 3.107 6.731 989 HG3 GLU 133 HG2 GLU 133 -13.471 2.835 8.377 990 H ALA 134 HN ALA 134 -9.637 1.152 11.202 991 HA ALA 134 HA ALA 134 -7.923 -0.640 10.149 992 HB1 ALA 134 HB1 ALA 134 -9.072 -0.800 12.933 993 HB2 ALA 134 HB2 ALA 134 -7.737 0.233 12.423 994 HB3 ALA 134 HB3 ALA 134 -7.555 -1.521 12.394 995 H ALA 135 HN ALA 135 -11.059 -1.474 11.607 996 HA ALA 135 HA ALA 135 -10.979 -4.201 11.414 997 HB1 ALA 135 HB1 ALA 135 -12.792 -2.953 12.479 998 HB2 ALA 135 HB2 ALA 135 -13.410 -4.155 11.347 999 HB3 ALA 135 HB3 ALA 135 -13.377 -2.451 10.893 1000 H ALA 136 HN ALA 136 -12.053 -1.940 8.884 1001 HA ALA 136 HA ALA 136 -12.615 -3.966 6.979 1002 HB1 ALA 136 HB1 ALA 136 -12.040 -1.044 6.510 1003 HB2 ALA 136 HB2 ALA 136 -13.620 -1.736 6.881 1004 HB3 ALA 136 HB3 ALA 136 -12.806 -2.153 5.372 1005 H ILE 137 HN ILE 137 -9.757 -2.000 7.623 1006 HA ILE 137 HA ILE 137 -8.327 -2.716 5.302 1007 HB ILE 137 HB ILE 137 -7.324 -1.735 7.968 1008 HG12 ILE 137 HG12 ILE 137 -7.720 -0.238 5.370 1009 HG13 ILE 137 HG11 ILE 137 -8.905 -0.262 6.673 1010 HG21 ILE 137 HG21 ILE 137 -5.896 -1.932 5.319 1011 HG22 ILE 137 HG22 ILE 137 -5.543 -2.866 6.773 1012 HG23 ILE 137 HG23 ILE 137 -5.275 -1.123 6.757 1013 HD11 ILE 137 HD11 ILE 137 -6.096 0.794 6.866 1014 HD12 ILE 137 HD12 ILE 137 -7.288 0.775 8.167 1015 HD13 ILE 137 HD13 ILE 137 -7.567 1.758 6.730 1016 H TYR 138 HN TYR 138 -8.074 -4.015 8.642 1017 HA TYR 138 HA TYR 138 -6.001 -5.821 7.976 1018 HB2 TYR 138 HB1 TYR 138 -6.012 -6.432 10.167 1019 HB3 TYR 138 HB2 TYR 138 -6.908 -4.926 10.312 1020 HD1 TYR 138 HD1 TYR 138 -9.412 -5.013 10.478 1021 HD2 TYR 138 HD2 TYR 138 -6.988 -8.495 10.761 1022 HE1 TYR 138 HE1 TYR 138 -11.276 -6.215 11.541 1023 HE2 TYR 138 HE2 TYR 138 -8.844 -9.711 11.823 1024 HH TYR 138 HH TYR 138 -10.890 -9.191 13.107 1025 H ARG 139 HN ARG 139 -9.517 -6.133 8.009 1026 HA ARG 139 HA ARG 139 -9.493 -8.955 7.568 1027 HB2 ARG 139 HB1 ARG 139 -11.861 -8.756 7.161 1028 HB3 ARG 139 HB2 ARG 139 -11.438 -7.733 8.527 1029 HG2 ARG 139 HG2 ARG 139 -11.400 -5.788 6.973 1030 HG3 ARG 139 HG1 ARG 139 -12.012 -6.856 5.708 1031 HD2 ARG 139 HD1 ARG 139 -13.374 -6.281 8.337 1032 HD3 ARG 139 HD2 ARG 139 -13.813 -5.584 6.779 1033 HE ARG 139 HE ARG 139 -13.883 -8.344 6.490 1034 HH11 ARG 139 HH11 ARG 139 -15.536 -5.887 8.326 1035 HH12 ARG 139 HH12 ARG 139 -17.026 -6.766 8.405 1036 HH21 ARG 139 HH21 ARG 139 -15.843 -9.507 6.585 1037 HH22 ARG 139 HH22 ARG 139 -17.201 -8.823 7.415 1038 H ALA 140 HN ALA 140 -9.489 -6.122 5.531 1039 HA ALA 140 HA ALA 140 -10.071 -7.367 3.075 1040 HB1 ALA 140 HB1 ALA 140 -8.382 -4.914 3.549 1041 HB2 ALA 140 HB2 ALA 140 -10.140 -4.936 3.403 1042 HB3 ALA 140 HB3 ALA 140 -9.135 -5.389 2.027 1043 H ILE 141 HN ILE 141 -7.097 -7.002 4.895 1044 HA ILE 141 HA ILE 141 -5.512 -8.160 2.745 1045 HB ILE 141 HB ILE 141 -3.587 -7.814 4.222 1046 HG12 ILE 141 HG12 ILE 141 -5.491 -6.527 6.179 1047 HG13 ILE 141 HG11 ILE 141 -4.963 -8.199 6.339 1048 HG21 ILE 141 HG21 ILE 141 -5.406 -5.420 3.980 1049 HG22 ILE 141 HG22 ILE 141 -4.264 -6.002 2.769 1050 HG23 ILE 141 HG23 ILE 141 -3.672 -5.352 4.297 1051 HD11 ILE 141 HD11 ILE 141 -3.142 -5.807 6.299 1052 HD12 ILE 141 HD12 ILE 141 -2.669 -7.487 6.558 1053 HD13 ILE 141 HD13 ILE 141 -3.680 -6.662 7.743 1054 H ASP 142 HN ASP 142 -7.138 -9.134 5.605 1055 HA ASP 142 HA ASP 142 -5.564 -11.496 6.081 1056 HB2 ASP 142 HB2 ASP 142 -6.773 -10.359 7.911 1057 HB3 ASP 142 HB1 ASP 142 -8.304 -10.757 7.134 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -14.122 8.602 18.867 2 H2 MET 1 HT2 MET 1 -15.426 7.591 19.236 3 H3 MET 1 HT3 MET 1 -15.696 9.065 18.455 4 HA MET 1 HA MET 1 -15.882 7.301 16.874 5 HB2 MET 1 HB2 MET 1 -13.327 8.894 16.588 6 HB3 MET 1 HB1 MET 1 -14.091 8.002 15.281 7 HG2 MET 1 HG1 MET 1 -14.728 10.245 15.006 8 HG3 MET 1 HG2 MET 1 -16.137 9.416 15.665 9 HE1 MET 1 HE1 MET 1 -13.185 11.942 16.454 10 HE2 MET 1 HE2 MET 1 -12.869 10.536 17.469 11 HE3 MET 1 HE3 MET 1 -13.343 12.067 18.206 12 H ASN 2 HN ASN 2 -12.518 7.408 18.063 13 HA ASN 2 HA ASN 2 -12.484 4.492 18.134 14 HB2 ASN 2 HB1 ASN 2 -10.426 4.322 16.849 15 HB3 ASN 2 HB2 ASN 2 -11.666 5.110 15.878 16 HD21 ASN 2 HD21 ASN 2 -8.747 5.192 15.682 17 HD22 ASN 2 HD22 ASN 2 -8.317 6.864 15.769 18 H THR 3 HN THR 3 -11.120 3.643 19.656 19 HA THR 3 HA THR 3 -9.754 5.601 21.376 20 HB THR 3 HB THR 3 -10.677 2.814 22.103 21 HG1 THR 3 HG1 THR 3 -12.469 3.745 22.901 22 HG21 THR 3 HG21 THR 3 -9.632 5.086 23.798 23 HG22 THR 3 HG22 THR 3 -8.798 3.571 23.455 24 HG23 THR 3 HG23 THR 3 -10.276 3.565 24.416 25 H GLU 4 HN GLU 4 -9.299 2.927 19.298 26 HA GLU 4 HA GLU 4 -6.905 1.867 20.351 27 HB2 GLU 4 HB2 GLU 4 -7.812 1.904 17.467 28 HB3 GLU 4 HB1 GLU 4 -6.613 0.825 18.169 29 HG2 GLU 4 HG1 GLU 4 -9.540 0.911 18.862 30 HG3 GLU 4 HG2 GLU 4 -8.739 -0.302 17.863 31 H GLU 5 HN GLU 5 -4.979 2.779 20.500 32 HA GLU 5 HA GLU 5 -4.363 5.092 18.806 33 HB2 GLU 5 HB2 GLU 5 -2.512 5.472 20.461 34 HB3 GLU 5 HB1 GLU 5 -4.135 5.578 21.132 35 HG2 GLU 5 HG1 GLU 5 -3.899 3.262 21.962 36 HG3 GLU 5 HG2 GLU 5 -2.236 3.256 21.376 37 H GLN 6 HN GLN 6 -2.168 5.317 17.969 38 HA GLN 6 HA GLN 6 -0.738 2.796 17.561 39 HB2 GLN 6 HB2 GLN 6 -0.497 3.356 15.127 40 HB3 GLN 6 HB1 GLN 6 -2.125 2.908 15.618 41 HG2 GLN 6 HG2 GLN 6 -2.751 5.271 15.687 42 HG3 GLN 6 HG1 GLN 6 -1.122 5.712 15.183 43 HE21 GLN 6 HE22 GLN 6 -0.896 3.447 13.360 44 HE22 GLN 6 HE21 GLN 6 -1.869 3.839 11.988 45 HA PRO 7 HA PRO 7 2.519 5.711 18.577 46 HB2 PRO 7 HB2 PRO 7 4.253 3.369 18.232 47 HB3 PRO 7 HB1 PRO 7 4.018 4.378 19.663 48 HG2 PRO 7 HG1 PRO 7 3.064 1.874 19.543 49 HG3 PRO 7 HG2 PRO 7 2.176 3.166 20.373 50 HD2 PRO 7 HD2 PRO 7 1.721 2.001 17.648 51 HD3 PRO 7 HD1 PRO 7 0.535 2.440 18.896 52 H VAL 8 HN VAL 8 1.807 4.327 15.764 53 HA VAL 8 HA VAL 8 4.109 5.540 14.387 54 HB VAL 8 HB VAL 8 2.602 3.143 13.349 55 HG11 VAL 8 HG11 VAL 8 4.489 2.929 11.828 56 HG12 VAL 8 HG12 VAL 8 5.245 4.350 12.549 57 HG13 VAL 8 HG13 VAL 8 3.726 4.511 11.667 58 HG21 VAL 8 HG21 VAL 8 5.263 3.150 14.765 59 HG22 VAL 8 HG22 VAL 8 4.447 1.752 14.064 60 HG23 VAL 8 HG23 VAL 8 3.745 2.577 15.455 61 H THR 9 HN THR 9 3.672 6.821 12.643 62 HA THR 9 HA THR 9 1.004 6.896 11.501 63 HB THR 9 HB THR 9 0.911 9.422 11.801 64 HG1 THR 9 HG1 THR 9 2.215 9.476 14.139 65 HG21 THR 9 HG21 THR 9 -0.131 9.279 13.995 66 HG22 THR 9 HG22 THR 9 0.671 7.737 14.297 67 HG23 THR 9 HG23 THR 9 -0.549 7.864 13.030 68 H ALA 10 HN ALA 10 0.927 7.831 9.466 69 HA ALA 10 HA ALA 10 3.525 8.172 8.187 70 HB1 ALA 10 HB1 ALA 10 0.765 7.964 6.990 71 HB2 ALA 10 HB2 ALA 10 1.939 6.657 7.140 72 HB3 ALA 10 HB3 ALA 10 2.276 8.029 6.083 73 H SER 11 HN SER 11 3.223 9.825 6.176 74 HA SER 11 HA SER 11 1.803 12.226 6.751 75 HB2 SER 11 HB2 SER 11 3.626 12.425 8.418 76 HB3 SER 11 HB1 SER 11 4.808 12.305 7.117 77 HG SER 11 HG SER 11 2.850 14.334 7.438 78 H LEU 12 HN LEU 12 1.871 13.697 5.022 79 HA LEU 12 HA LEU 12 2.543 12.540 2.508 80 HB2 LEU 12 HB2 LEU 12 0.651 14.170 3.002 81 HB3 LEU 12 HB1 LEU 12 1.868 15.432 2.997 82 HG LEU 12 HG LEU 12 2.425 14.885 0.663 83 HD11 LEU 12 HD21 LEU 12 1.825 12.501 0.742 84 HD12 LEU 12 HD22 LEU 12 1.059 13.337 -0.609 85 HD13 LEU 12 HD23 LEU 12 0.122 12.946 0.833 86 HD21 LEU 12 HD11 LEU 12 0.787 16.612 1.081 87 HD22 LEU 12 HD12 LEU 12 -0.498 15.407 1.179 88 HD23 LEU 12 HD13 LEU 12 0.331 15.690 -0.352 89 H VAL 13 HN VAL 13 4.421 12.563 1.491 90 HA VAL 13 HA VAL 13 6.611 14.154 2.521 91 HB VAL 13 HB VAL 13 6.708 12.313 0.137 92 HG11 VAL 13 HG21 VAL 13 9.062 12.089 0.769 93 HG12 VAL 13 HG22 VAL 13 8.806 13.198 2.117 94 HG13 VAL 13 HG23 VAL 13 8.639 13.772 0.457 95 HG21 VAL 13 HG11 VAL 13 7.454 10.562 1.747 96 HG22 VAL 13 HG12 VAL 13 5.757 11.013 1.913 97 HG23 VAL 13 HG13 VAL 13 6.948 11.624 3.061 98 H ALA 14 HN ALA 14 7.924 15.531 1.224 99 HA ALA 14 HA ALA 14 6.606 17.465 -0.235 100 HB1 ALA 14 HB1 ALA 14 8.780 18.255 -0.945 101 HB2 ALA 14 HB2 ALA 14 9.507 16.699 -0.542 102 HB3 ALA 14 HB3 ALA 14 8.857 17.727 0.736 103 H GLU 15 HN GLU 15 6.614 18.010 -2.488 104 HA GLU 15 HA GLU 15 6.053 15.751 -4.160 105 HB2 GLU 15 HB2 GLU 15 5.455 17.389 -5.851 106 HB3 GLU 15 HB1 GLU 15 4.757 17.842 -4.302 107 HG2 GLU 15 HG2 GLU 15 6.493 19.498 -3.972 108 HG3 GLU 15 HG1 GLU 15 7.267 19.012 -5.480 109 H ALA 16 HN ALA 16 8.770 17.854 -3.662 110 HA ALA 16 HA ALA 16 10.074 16.964 -6.114 111 HB1 ALA 16 HB1 ALA 16 11.098 18.856 -4.004 112 HB2 ALA 16 HB2 ALA 16 10.198 19.338 -5.443 113 HB3 ALA 16 HB3 ALA 16 11.785 18.585 -5.606 114 H GLN 17 HN GLN 17 9.744 15.828 -3.010 115 HA GLN 17 HA GLN 17 12.383 14.524 -3.067 116 HB2 GLN 17 HB2 GLN 17 10.565 15.046 -0.709 117 HB3 GLN 17 HB1 GLN 17 12.110 14.209 -0.634 118 HG2 GLN 17 HG2 GLN 17 11.780 17.046 -1.574 119 HG3 GLN 17 HG1 GLN 17 12.172 16.592 0.084 120 HE21 GLN 17 HE21 GLN 17 13.288 16.550 -3.232 121 HE22 GLN 17 HE22 GLN 17 14.966 16.360 -2.866 122 H ARG 18 HN ARG 18 8.989 14.065 -3.170 123 HA ARG 18 HA ARG 18 8.910 11.353 -2.306 124 HB2 ARG 18 HB2 ARG 18 6.656 11.318 -3.235 125 HB3 ARG 18 HB1 ARG 18 6.915 12.790 -2.309 126 HG2 ARG 18 HG2 ARG 18 7.311 14.014 -4.404 127 HG3 ARG 18 HG1 ARG 18 6.977 12.535 -5.307 128 HD2 ARG 18 HD1 ARG 18 5.055 13.931 -3.451 129 HD3 ARG 18 HD2 ARG 18 5.023 14.013 -5.213 130 HE ARG 18 HE ARG 18 4.873 11.353 -4.079 131 HH11 ARG 18 HH11 ARG 18 3.130 14.111 -5.298 132 HH12 ARG 18 HH12 ARG 18 1.693 13.210 -5.647 133 HH21 ARG 18 HH21 ARG 18 2.987 10.159 -4.536 134 HH22 ARG 18 HH22 ARG 18 1.611 10.964 -5.210 135 H LEU 19 HN LEU 19 9.961 12.880 -5.149 136 HA LEU 19 HA LEU 19 9.434 10.784 -7.006 137 HB2 LEU 19 HB2 LEU 19 11.130 11.980 -8.411 138 HB3 LEU 19 HB1 LEU 19 9.780 12.963 -7.882 139 HG LEU 19 HG LEU 19 11.437 13.618 -5.935 140 HD11 LEU 19 HD11 LEU 19 13.745 13.722 -6.667 141 HD12 LEU 19 HD12 LEU 19 13.328 12.890 -8.165 142 HD13 LEU 19 HD13 LEU 19 13.189 12.050 -6.622 143 HD21 LEU 19 HD21 LEU 19 12.132 15.548 -7.245 144 HD22 LEU 19 HD22 LEU 19 10.437 15.160 -7.535 145 HD23 LEU 19 HD23 LEU 19 11.658 14.723 -8.730 146 H ASP 20 HN ASP 20 11.860 11.366 -4.626 147 HA ASP 20 HA ASP 20 13.454 9.116 -5.660 148 HB2 ASP 20 HB2 ASP 20 14.583 11.375 -5.371 149 HB3 ASP 20 HB1 ASP 20 14.362 11.163 -3.635 150 H PHE 21 HN PHE 21 11.219 9.966 -3.346 151 HA PHE 21 HA PHE 21 12.118 8.644 -1.046 152 HB2 PHE 21 HB2 PHE 21 10.091 10.201 -1.320 153 HB3 PHE 21 HB1 PHE 21 9.221 8.770 -1.866 154 HD1 PHE 21 HD2 PHE 21 8.744 6.941 -0.328 155 HD2 PHE 21 HD1 PHE 21 10.715 10.479 0.978 156 HE1 PHE 21 HE2 PHE 21 8.284 6.330 2.011 157 HE2 PHE 21 HE1 PHE 21 10.260 9.873 3.319 158 HZ PHE 21 HZ PHE 21 9.042 7.796 3.838 159 H LEU 22 HN LEU 22 10.653 7.469 -3.992 160 HA LEU 22 HA LEU 22 9.978 4.887 -3.024 161 HB2 LEU 22 HB2 LEU 22 10.030 6.251 -5.616 162 HB3 LEU 22 HB1 LEU 22 10.388 4.538 -5.718 163 HG LEU 22 HG LEU 22 8.009 4.978 -6.069 164 HD11 LEU 22 HD11 LEU 22 8.573 2.848 -5.135 165 HD12 LEU 22 HD12 LEU 22 7.125 3.440 -4.320 166 HD13 LEU 22 HD13 LEU 22 8.692 3.534 -3.515 167 HD21 LEU 22 HD21 LEU 22 6.612 5.822 -4.266 168 HD22 LEU 22 HD22 LEU 22 7.834 7.011 -4.717 169 HD23 LEU 22 HD23 LEU 22 8.037 6.050 -3.251 170 HA PRO 23 HA PRO 23 14.163 3.453 -4.991 171 HB2 PRO 23 HB2 PRO 23 15.992 5.411 -5.528 172 HB3 PRO 23 HB1 PRO 23 14.867 4.773 -6.731 173 HG2 PRO 23 HG2 PRO 23 14.680 7.280 -5.101 174 HG3 PRO 23 HG1 PRO 23 14.303 7.025 -6.816 175 HD2 PRO 23 HD2 PRO 23 12.386 7.143 -4.925 176 HD3 PRO 23 HD1 PRO 23 12.241 6.097 -6.352 177 H THR 24 HN THR 24 13.573 5.746 -2.616 178 HA THR 24 HA THR 24 16.121 5.377 -1.242 179 HB THR 24 HB THR 24 13.750 7.152 -0.684 180 HG1 THR 24 HG1 THR 24 15.246 8.770 -1.186 181 HG21 THR 24 HG21 THR 24 14.955 8.059 1.207 182 HG22 THR 24 HG22 THR 24 16.287 6.935 0.935 183 HG23 THR 24 HG23 THR 24 14.709 6.327 1.440 184 H TYR 25 HN TYR 25 12.648 4.846 -0.596 185 HA TYR 25 HA TYR 25 13.387 3.241 1.745 186 HB2 TYR 25 HB1 TYR 25 10.872 4.637 0.911 187 HB3 TYR 25 HB2 TYR 25 10.795 3.310 2.065 188 HD1 TYR 25 HD1 TYR 25 12.437 6.596 1.472 189 HD2 TYR 25 HD2 TYR 25 11.217 3.690 4.330 190 HE1 TYR 25 HE1 TYR 25 13.024 8.145 3.291 191 HE2 TYR 25 HE2 TYR 25 11.799 5.231 6.154 192 HH TYR 25 HH TYR 25 12.444 8.522 5.648 193 H PHE 26 HN PHE 26 11.743 2.999 -1.356 194 HA PHE 26 HA PHE 26 10.994 0.236 -0.849 195 HB2 PHE 26 HB2 PHE 26 9.950 2.284 -2.451 196 HB3 PHE 26 HB1 PHE 26 10.629 1.120 -3.585 197 HD1 PHE 26 HD1 PHE 26 8.734 0.896 -0.373 198 HD2 PHE 26 HD2 PHE 26 9.064 -0.303 -4.443 199 HE1 PHE 26 HE1 PHE 26 6.735 -0.514 -0.116 200 HE2 PHE 26 HE2 PHE 26 7.064 -1.715 -4.193 201 HZ PHE 26 HZ PHE 26 5.897 -1.822 -2.028 202 H GLY 27 HN GLY 27 13.197 2.105 -2.875 203 HA2 GLY 27 HA2 GLY 27 15.434 0.911 -3.053 204 HA3 GLY 27 HA1 GLY 27 14.484 -0.416 -3.708 205 HA PRO 28 HA PRO 28 15.722 3.139 -6.854 206 HB2 PRO 28 HB1 PRO 28 17.905 1.786 -7.932 207 HB3 PRO 28 HB2 PRO 28 17.995 3.165 -6.833 208 HG2 PRO 28 HG2 PRO 28 18.238 0.248 -6.245 209 HG3 PRO 28 HG1 PRO 28 19.120 1.616 -5.539 210 HD2 PRO 28 HD1 PRO 28 17.135 0.399 -4.211 211 HD3 PRO 28 HD2 PRO 28 17.380 2.156 -4.100 212 H ARG 29 HN ARG 29 15.530 -0.326 -6.726 213 HA ARG 29 HA ARG 29 14.825 -0.513 -9.542 214 HB2 ARG 29 HB2 ARG 29 16.267 -2.251 -8.776 215 HB3 ARG 29 HB1 ARG 29 15.244 -2.577 -7.384 216 HG2 ARG 29 HG1 ARG 29 15.006 -4.307 -9.068 217 HG3 ARG 29 HG2 ARG 29 13.493 -3.423 -8.857 218 HD2 ARG 29 HD2 ARG 29 14.148 -2.026 -10.838 219 HD3 ARG 29 HD1 ARG 29 15.489 -3.142 -11.095 220 HE ARG 29 HE ARG 29 13.020 -4.532 -10.919 221 HH11 ARG 29 HH11 ARG 29 14.946 -2.568 -13.058 222 HH12 ARG 29 HH12 ARG 29 14.264 -3.241 -14.500 223 HH21 ARG 29 HH21 ARG 29 12.115 -5.424 -12.812 224 HH22 ARG 29 HH22 ARG 29 12.653 -4.864 -14.361 225 H LEU 30 HN LEU 30 13.327 -1.262 -6.365 226 HA LEU 30 HA LEU 30 10.859 -2.060 -7.390 227 HB2 LEU 30 HB2 LEU 30 11.718 -1.014 -4.706 228 HB3 LEU 30 HB1 LEU 30 10.082 -1.547 -5.027 229 HG LEU 30 HG LEU 30 10.998 -3.804 -5.608 230 HD11 LEU 30 HD21 LEU 30 13.267 -3.173 -6.184 231 HD12 LEU 30 HD22 LEU 30 13.281 -4.327 -4.851 232 HD13 LEU 30 HD23 LEU 30 13.554 -2.613 -4.537 233 HD21 LEU 30 HD11 LEU 30 11.536 -2.694 -2.858 234 HD22 LEU 30 HD12 LEU 30 11.502 -4.413 -3.250 235 HD23 LEU 30 HD13 LEU 30 10.044 -3.437 -3.436 236 H MET 31 HN MET 31 12.167 1.104 -6.818 237 HA MET 31 HA MET 31 10.108 2.716 -6.304 238 HB2 MET 31 HB2 MET 31 11.098 4.339 -8.012 239 HB3 MET 31 HB1 MET 31 12.175 3.741 -6.754 240 HG2 MET 31 HG2 MET 31 13.573 3.049 -8.307 241 HG3 MET 31 HG1 MET 31 12.348 1.927 -8.895 242 HE1 MET 31 HE1 MET 31 14.450 2.758 -10.828 243 HE2 MET 31 HE2 MET 31 13.641 3.443 -12.237 244 HE3 MET 31 HE3 MET 31 13.022 1.968 -11.495 245 H MET 32 HN MET 32 10.561 1.105 -9.420 246 HA MET 32 HA MET 32 7.968 2.179 -10.280 247 HB2 MET 32 HB2 MET 32 8.623 1.586 -12.543 248 HB3 MET 32 HB1 MET 32 9.873 2.573 -11.800 249 HG2 MET 32 HG2 MET 32 11.204 0.584 -11.365 250 HG3 MET 32 HG1 MET 32 9.943 -0.420 -12.078 251 HE1 MET 32 HE1 MET 32 9.304 -0.396 -14.652 252 HE2 MET 32 HE2 MET 32 10.022 0.709 -15.825 253 HE3 MET 32 HE3 MET 32 8.993 1.336 -14.537 254 H ARG 33 HN ARG 33 9.827 -0.801 -9.939 255 HA ARG 33 HA ARG 33 7.834 -2.566 -10.860 256 HB2 ARG 33 HB1 ARG 33 10.092 -3.065 -8.915 257 HB3 ARG 33 HB2 ARG 33 9.150 -4.313 -9.718 258 HG2 ARG 33 HG2 ARG 33 10.825 -2.265 -11.151 259 HG3 ARG 33 HG1 ARG 33 11.363 -3.896 -10.749 260 HD2 ARG 33 HD1 ARG 33 9.006 -3.190 -12.492 261 HD3 ARG 33 HD2 ARG 33 10.575 -3.761 -13.059 262 HE ARG 33 HE ARG 33 9.253 -5.523 -11.194 263 HH11 ARG 33 HH11 ARG 33 9.707 -4.664 -14.540 264 HH12 ARG 33 HH12 ARG 33 9.243 -6.223 -15.136 265 HH21 ARG 33 HH21 ARG 33 8.643 -7.578 -11.969 266 HH22 ARG 33 HH22 ARG 33 8.637 -7.880 -13.674 267 H GLY 34 HN GLY 34 8.053 -0.728 -8.003 268 HA2 GLY 34 HA2 GLY 34 6.225 -2.544 -6.580 269 HA3 GLY 34 HA1 GLY 34 7.188 -1.279 -5.832 270 H GLU 35 HN GLU 35 6.614 0.866 -7.512 271 HA GLU 35 HA GLU 35 4.236 1.831 -6.424 272 HB2 GLU 35 HB1 GLU 35 4.422 3.684 -7.966 273 HB3 GLU 35 HB2 GLU 35 6.028 3.262 -7.385 274 HG2 GLU 35 HG1 GLU 35 6.496 2.091 -9.456 275 HG3 GLU 35 HG2 GLU 35 4.868 2.438 -10.037 276 H ALA 36 HN ALA 36 4.892 0.135 -9.422 277 HA ALA 36 HA ALA 36 2.229 0.452 -10.458 278 HB1 ALA 36 HB1 ALA 36 2.924 -0.990 -12.238 279 HB2 ALA 36 HB2 ALA 36 4.312 -1.552 -11.306 280 HB3 ALA 36 HB3 ALA 36 4.252 0.114 -11.878 281 H LEU 37 HN LEU 37 3.920 -1.921 -8.530 282 HA LEU 37 HA LEU 37 2.071 -4.032 -8.771 283 HB2 LEU 37 HB2 LEU 37 4.528 -3.775 -7.707 284 HB3 LEU 37 HB1 LEU 37 3.569 -3.739 -6.241 285 HG LEU 37 HG LEU 37 2.502 -5.892 -7.035 286 HD11 LEU 37 HD11 LEU 37 3.130 -5.740 -9.380 287 HD12 LEU 37 HD12 LEU 37 3.760 -7.218 -8.652 288 HD13 LEU 37 HD13 LEU 37 4.834 -5.850 -8.940 289 HD21 LEU 37 HD21 LEU 37 5.448 -5.845 -6.412 290 HD22 LEU 37 HD22 LEU 37 4.412 -7.267 -6.296 291 HD23 LEU 37 HD23 LEU 37 4.122 -5.876 -5.250 292 H VAL 38 HN VAL 38 2.296 -1.321 -6.517 293 HA VAL 38 HA VAL 38 0.301 -2.291 -4.729 294 HB VAL 38 HB VAL 38 0.409 -0.229 -3.610 295 HG11 VAL 38 HG21 VAL 38 2.482 -1.475 -3.458 296 HG12 VAL 38 HG22 VAL 38 2.817 0.257 -3.453 297 HG13 VAL 38 HG23 VAL 38 3.086 -0.689 -4.916 298 HG21 VAL 38 HG11 VAL 38 -0.063 1.212 -5.543 299 HG22 VAL 38 HG12 VAL 38 1.599 1.006 -6.093 300 HG23 VAL 38 HG13 VAL 38 1.270 1.831 -4.569 301 H TYR 39 HN TYR 39 0.236 -0.205 -7.566 302 HA TYR 39 HA TYR 39 -2.543 0.461 -7.217 303 HB2 TYR 39 HB1 TYR 39 -2.086 2.087 -8.680 304 HB3 TYR 39 HB2 TYR 39 -0.420 1.529 -8.658 305 HD1 TYR 39 HD1 TYR 39 0.474 0.189 -10.479 306 HD2 TYR 39 HD2 TYR 39 -3.542 1.589 -10.554 307 HE1 TYR 39 HE1 TYR 39 0.346 -0.321 -12.883 308 HE2 TYR 39 HE2 TYR 39 -3.684 1.080 -12.955 309 HH TYR 39 HH TYR 39 -2.144 0.809 -14.872 310 H ALA 40 HN ALA 40 -0.738 -2.038 -8.780 311 HA ALA 40 HA ALA 40 -2.646 -2.867 -10.681 312 HB1 ALA 40 HB1 ALA 40 -0.315 -3.620 -10.723 313 HB2 ALA 40 HB2 ALA 40 -1.434 -4.983 -10.718 314 HB3 ALA 40 HB3 ALA 40 -0.583 -4.534 -9.239 315 H TRP 41 HN TRP 41 -2.115 -3.738 -7.301 316 HA TRP 41 HA TRP 41 -4.126 -5.717 -7.151 317 HB2 TRP 41 HB2 TRP 41 -2.784 -4.012 -5.055 318 HB3 TRP 41 HB1 TRP 41 -4.014 -5.205 -4.648 319 HD1 TRP 41 HD1 TRP 41 -0.355 -4.867 -5.327 320 HE1 TRP 41 HE1 TRP 41 0.764 -7.183 -5.264 321 HE3 TRP 41 HE3 TRP 41 -4.547 -7.794 -5.322 322 HZ2 TRP 41 HZ2 TRP 41 -0.025 -9.893 -5.219 323 HZ3 TRP 41 HZ3 TRP 41 -4.278 -10.239 -5.269 324 HH2 TRP 41 HH2 TRP 41 -2.063 -11.265 -5.219 325 H MET 42 HN MET 42 -4.168 -2.231 -6.803 326 HA MET 42 HA MET 42 -6.671 -1.964 -5.565 327 HB2 MET 42 HB2 MET 42 -5.081 -0.126 -5.698 328 HB3 MET 42 HB1 MET 42 -5.250 -0.079 -7.448 329 HG2 MET 42 HG2 MET 42 -6.507 1.699 -6.335 330 HG3 MET 42 HG1 MET 42 -7.549 0.610 -7.250 331 HE1 MET 42 HE1 MET 42 -6.417 1.855 -3.741 332 HE2 MET 42 HE2 MET 42 -5.881 0.176 -3.682 333 HE3 MET 42 HE3 MET 42 -7.207 0.715 -2.652 334 H ARG 43 HN ARG 43 -5.820 -1.885 -9.031 335 HA ARG 43 HA ARG 43 -8.475 -1.494 -9.917 336 HB2 ARG 43 HB2 ARG 43 -7.615 -2.235 -12.139 337 HB3 ARG 43 HB1 ARG 43 -6.684 -0.942 -11.398 338 HG2 ARG 43 HG1 ARG 43 -5.028 -2.311 -12.196 339 HG3 ARG 43 HG2 ARG 43 -5.183 -2.882 -10.534 340 HD2 ARG 43 HD1 ARG 43 -6.590 -4.721 -11.277 341 HD3 ARG 43 HD2 ARG 43 -6.510 -4.132 -12.937 342 HE ARG 43 HE ARG 43 -3.905 -4.574 -11.949 343 HH11 ARG 43 HH11 ARG 43 -6.741 -6.305 -13.002 344 HH12 ARG 43 HH12 ARG 43 -5.854 -7.697 -13.527 345 HH21 ARG 43 HH21 ARG 43 -2.730 -6.403 -12.636 346 HH22 ARG 43 HH22 ARG 43 -3.574 -7.754 -13.318 347 H ARG 44 HN ARG 44 -6.950 -4.216 -8.609 348 HA ARG 44 HA ARG 44 -8.577 -6.187 -9.962 349 HB2 ARG 44 HB2 ARG 44 -6.663 -6.330 -7.634 350 HB3 ARG 44 HB1 ARG 44 -7.601 -7.717 -8.168 351 HG2 ARG 44 HG1 ARG 44 -6.550 -7.558 -10.381 352 HG3 ARG 44 HG2 ARG 44 -5.582 -6.197 -9.806 353 HD2 ARG 44 HD1 ARG 44 -4.469 -7.574 -8.202 354 HD3 ARG 44 HD2 ARG 44 -5.563 -8.919 -8.518 355 HE ARG 44 HE ARG 44 -4.108 -8.084 -10.842 356 HH11 ARG 44 HH11 ARG 44 -3.988 -10.040 -7.960 357 HH12 ARG 44 HH12 ARG 44 -2.809 -11.137 -8.597 358 HH21 ARG 44 HH21 ARG 44 -2.556 -9.526 -11.689 359 HH22 ARG 44 HH22 ARG 44 -1.996 -10.845 -10.716 360 H LEU 45 HN LEU 45 -8.806 -4.149 -7.243 361 HA LEU 45 HA LEU 45 -10.790 -5.704 -5.839 362 HB2 LEU 45 HB2 LEU 45 -10.240 -2.815 -5.310 363 HB3 LEU 45 HB1 LEU 45 -10.738 -4.068 -4.200 364 HG LEU 45 HG LEU 45 -8.000 -3.913 -5.454 365 HD11 LEU 45 HD11 LEU 45 -8.376 -2.037 -3.944 366 HD12 LEU 45 HD12 LEU 45 -7.236 -3.190 -3.250 367 HD13 LEU 45 HD13 LEU 45 -8.906 -3.149 -2.682 368 HD21 LEU 45 HD21 LEU 45 -8.597 -6.174 -4.884 369 HD22 LEU 45 HD22 LEU 45 -9.144 -5.666 -3.286 370 HD23 LEU 45 HD23 LEU 45 -7.433 -5.569 -3.704 371 H CYS 46 HN CYS 46 -10.759 -3.211 -8.255 372 HA CYS 46 HA CYS 46 -13.687 -3.224 -8.236 373 HB2 CYS 46 HB2 CYS 46 -13.067 -1.147 -7.148 374 HB3 CYS 46 HB1 CYS 46 -11.945 -0.761 -8.449 375 HG CYS 46 HG CYS 46 -15.268 -0.343 -8.296 376 H GLU 47 HN GLU 47 -14.483 -3.718 -10.172 377 HA GLU 47 HA GLU 47 -12.790 -4.137 -12.417 378 HB2 GLU 47 HB2 GLU 47 -14.757 -4.863 -13.569 379 HB3 GLU 47 HB1 GLU 47 -14.871 -5.440 -11.912 380 HG2 GLU 47 HG1 GLU 47 -16.188 -2.919 -12.867 381 HG3 GLU 47 HG2 GLU 47 -16.978 -4.496 -12.901 382 H ARG 48 HN ARG 48 -14.510 -1.447 -11.233 383 HA ARG 48 HA ARG 48 -14.218 -0.040 -13.804 384 HB2 ARG 48 HB1 ARG 48 -16.077 0.590 -11.501 385 HB3 ARG 48 HB2 ARG 48 -15.959 1.504 -12.998 386 HG2 ARG 48 HG1 ARG 48 -16.807 -1.377 -12.793 387 HG3 ARG 48 HG2 ARG 48 -17.900 -0.001 -12.948 388 HD2 ARG 48 HD1 ARG 48 -15.854 -0.950 -14.945 389 HD3 ARG 48 HD2 ARG 48 -17.610 -0.977 -15.115 390 HE ARG 48 HE ARG 48 -16.607 1.662 -14.693 391 HH11 ARG 48 HH11 ARG 48 -17.081 -0.813 -17.100 392 HH12 ARG 48 HH12 ARG 48 -17.130 0.303 -18.423 393 HH21 ARG 48 HH21 ARG 48 -16.668 3.137 -16.428 394 HH22 ARG 48 HH22 ARG 48 -16.894 2.548 -18.043 395 H TYR 49 HN TYR 49 -11.990 -0.360 -12.270 396 HA TYR 49 HA TYR 49 -11.643 2.220 -10.902 397 HB2 TYR 49 HB2 TYR 49 -11.222 -0.160 -9.791 398 HB3 TYR 49 HB1 TYR 49 -9.660 0.019 -10.588 399 HD1 TYR 49 HD2 TYR 49 -8.432 2.292 -10.162 400 HD2 TYR 49 HD1 TYR 49 -11.524 0.734 -7.697 401 HE1 TYR 49 HE2 TYR 49 -7.661 3.716 -8.308 402 HE2 TYR 49 HE1 TYR 49 -10.767 2.142 -5.838 403 HH TYR 49 HH TYR 49 -8.726 3.297 -5.108 404 H ASN 50 HN ASN 50 -11.034 3.530 -12.587 405 HA ASN 50 HA ASN 50 -9.181 2.788 -14.593 406 HB2 ASN 50 HB1 ASN 50 -9.936 5.561 -13.645 407 HB3 ASN 50 HB2 ASN 50 -9.143 5.169 -15.168 408 HD21 ASN 50 HD21 ASN 50 -10.756 2.751 -15.538 409 HD22 ASN 50 HD22 ASN 50 -12.317 3.302 -16.036 410 H GLY 51 HN GLY 51 -8.727 5.269 -12.063 411 HA2 GLY 51 HA2 GLY 51 -6.347 4.221 -11.013 412 HA3 GLY 51 HA1 GLY 51 -5.924 5.338 -12.301 413 H ALA 52 HN ALA 52 -4.860 6.285 -10.278 414 HA ALA 52 HA ALA 52 -6.222 8.655 -9.579 415 HB1 ALA 52 HB1 ALA 52 -7.512 7.177 -8.126 416 HB2 ALA 52 HB2 ALA 52 -6.534 8.300 -7.182 417 HB3 ALA 52 HB3 ALA 52 -6.024 6.620 -7.360 418 H TYR 53 HN TYR 53 -4.997 9.796 -7.682 419 HA TYR 53 HA TYR 53 -2.185 9.627 -8.340 420 HB2 TYR 53 HB2 TYR 53 -3.877 11.577 -6.811 421 HB3 TYR 53 HB1 TYR 53 -2.123 11.633 -6.692 422 HD1 TYR 53 HD2 TYR 53 -0.985 11.383 -9.169 423 HD2 TYR 53 HD1 TYR 53 -4.786 13.079 -8.294 424 HE1 TYR 53 HE2 TYR 53 -0.875 12.694 -11.252 425 HE2 TYR 53 HE1 TYR 53 -4.690 14.390 -10.373 426 HH TYR 53 HH TYR 53 -3.016 15.251 -11.931 427 H TRP 54 HN TRP 54 -1.346 7.849 -7.382 428 HA TRP 54 HA TRP 54 -1.843 7.103 -4.689 429 HB2 TRP 54 HB2 TRP 54 0.605 6.228 -6.180 430 HB3 TRP 54 HB1 TRP 54 -0.422 5.305 -5.085 431 HD1 TRP 54 HD1 TRP 54 -3.138 5.145 -6.236 432 HE1 TRP 54 HE1 TRP 54 -3.675 4.304 -8.606 433 HE3 TRP 54 HE3 TRP 54 1.444 5.833 -8.398 434 HZ2 TRP 54 HZ2 TRP 54 -2.333 3.973 -11.068 435 HZ3 TRP 54 HZ3 TRP 54 1.733 5.228 -10.766 436 HH2 TRP 54 HH2 TRP 54 -0.118 4.316 -12.071 437 H HIS 55 HN HIS 55 -1.430 9.199 -3.703 438 HA HIS 55 HA HIS 55 1.001 10.511 -3.593 439 HB2 HIS 55 HB2 HIS 55 -0.997 10.224 -1.341 440 HB3 HIS 55 HB1 HIS 55 0.238 11.472 -1.476 441 HD1 HIS 55 HD1 HIS 55 -0.131 13.298 -3.332 442 HD2 HIS 55 HD2 HIS 55 -3.317 10.694 -2.755 443 HE1 HIS 55 HE1 HIS 55 -2.097 14.380 -4.467 444 HE2 HIS 55 HE2 HIS 55 -4.003 12.764 -4.147 445 H TYR 56 HN TYR 56 2.866 10.257 -2.516 446 HA TYR 56 HA TYR 56 3.322 7.708 -1.205 447 HB2 TYR 56 HB1 TYR 56 5.279 9.952 -1.755 448 HB3 TYR 56 HB2 TYR 56 5.681 8.307 -1.273 449 HD1 TYR 56 HD2 TYR 56 3.622 6.934 -3.097 450 HD2 TYR 56 HD1 TYR 56 6.502 9.987 -3.805 451 HE1 TYR 56 HE2 TYR 56 3.733 6.273 -5.463 452 HE2 TYR 56 HE1 TYR 56 6.616 9.337 -6.173 453 HH TYR 56 HH TYR 56 4.355 7.262 -7.622 454 H TYR 57 HN TYR 57 3.641 7.402 0.940 455 HA TYR 57 HA TYR 57 3.615 9.803 2.648 456 HB2 TYR 57 HB1 TYR 57 2.074 7.240 2.930 457 HB3 TYR 57 HB2 TYR 57 2.403 8.265 4.324 458 HD1 TYR 57 HD2 TYR 57 0.588 8.005 1.147 459 HD2 TYR 57 HD1 TYR 57 1.324 10.403 4.580 460 HE1 TYR 57 HE2 TYR 57 -1.349 9.407 0.575 461 HE2 TYR 57 HE1 TYR 57 -0.606 11.811 4.022 462 HH TYR 57 HH TYR 57 -1.938 12.408 2.028 463 H ALA 58 HN ALA 58 4.849 9.806 4.483 464 HA ALA 58 HA ALA 58 6.926 7.741 4.585 465 HB1 ALA 58 HB1 ALA 58 8.254 9.370 5.820 466 HB2 ALA 58 HB2 ALA 58 6.900 10.500 5.799 467 HB3 ALA 58 HB3 ALA 58 7.690 10.043 4.290 468 H LEU 59 HN LEU 59 6.211 6.131 5.865 469 HA LEU 59 HA LEU 59 4.585 6.348 8.128 470 HB2 LEU 59 HB2 LEU 59 6.225 4.324 6.847 471 HB3 LEU 59 HB1 LEU 59 6.244 4.159 8.588 472 HG LEU 59 HG LEU 59 4.529 2.772 7.426 473 HD11 LEU 59 HD21 LEU 59 4.338 3.422 9.792 474 HD12 LEU 59 HD22 LEU 59 2.778 3.202 9.005 475 HD13 LEU 59 HD23 LEU 59 3.391 4.827 9.302 476 HD21 LEU 59 HD11 LEU 59 3.332 5.455 6.799 477 HD22 LEU 59 HD12 LEU 59 2.466 3.922 6.685 478 HD23 LEU 59 HD13 LEU 59 3.866 4.225 5.653 479 H SER 60 HN SER 60 5.136 6.110 10.385 480 HA SER 60 HA SER 60 7.170 7.872 11.228 481 HB2 SER 60 HB1 SER 60 5.195 7.489 12.606 482 HB3 SER 60 HB2 SER 60 5.633 5.794 12.808 483 HG SER 60 HG SER 60 7.054 8.056 13.759 484 H ASP 61 HN ASP 61 7.154 4.525 10.469 485 HA ASP 61 HA ASP 61 9.776 4.137 11.738 486 HB2 ASP 61 HB2 ASP 61 7.788 2.152 10.622 487 HB3 ASP 61 HB1 ASP 61 9.386 1.712 11.217 488 H GLY 62 HN GLY 62 8.089 3.835 8.636 489 HA2 GLY 62 HA1 GLY 62 9.591 4.770 6.789 490 HA3 GLY 62 HA2 GLY 62 10.707 3.521 7.317 491 H GLY 63 HN GLY 63 7.521 2.477 7.610 492 HA2 GLY 63 HA2 GLY 63 7.772 0.407 5.755 493 HA3 GLY 63 HA1 GLY 63 6.250 0.974 6.427 494 H PHE 64 HN PHE 64 6.347 3.602 5.397 495 HA PHE 64 HA PHE 64 5.704 4.817 3.605 496 HB2 PHE 64 HB1 PHE 64 7.840 4.610 2.666 497 HB3 PHE 64 HB2 PHE 64 7.621 2.900 2.308 498 HD1 PHE 64 HD2 PHE 64 6.026 6.164 1.453 499 HD2 PHE 64 HD1 PHE 64 7.311 2.336 0.114 500 HE1 PHE 64 HE2 PHE 64 5.333 6.738 -0.834 501 HE2 PHE 64 HE1 PHE 64 6.619 2.904 -2.179 502 HZ PHE 64 HZ PHE 64 5.629 5.107 -2.655 503 H TYR 65 HN TYR 65 3.644 4.747 3.118 504 HA TYR 65 HA TYR 65 2.653 2.440 1.577 505 HB2 TYR 65 HB2 TYR 65 0.757 2.234 2.836 506 HB3 TYR 65 HB1 TYR 65 1.839 2.845 4.077 507 HD1 TYR 65 HD2 TYR 65 1.659 5.181 4.844 508 HD2 TYR 65 HD1 TYR 65 -1.076 3.537 2.031 509 HE1 TYR 65 HE2 TYR 65 0.114 7.046 5.268 510 HE2 TYR 65 HE1 TYR 65 -2.629 5.402 2.446 511 HH TYR 65 HH TYR 65 -3.105 7.038 4.237 512 H MET 66 HN MET 66 1.263 2.857 -0.107 513 HA MET 66 HA MET 66 1.171 5.668 -0.982 514 HB2 MET 66 HB2 MET 66 0.930 3.102 -2.563 515 HB3 MET 66 HB1 MET 66 0.792 4.715 -3.248 516 HG2 MET 66 HG2 MET 66 3.057 5.204 -2.799 517 HG3 MET 66 HG1 MET 66 3.234 3.780 -1.775 518 HE1 MET 66 HE1 MET 66 1.338 3.923 -5.212 519 HE2 MET 66 HE2 MET 66 2.625 3.513 -6.346 520 HE3 MET 66 HE3 MET 66 2.673 5.045 -5.473 521 H ALA 67 HN ALA 67 -0.703 6.698 -1.238 522 HA ALA 67 HA ALA 67 -3.181 5.104 -1.183 523 HB1 ALA 67 HB1 ALA 67 -4.235 6.878 0.163 524 HB2 ALA 67 HB2 ALA 67 -2.675 7.692 0.280 525 HB3 ALA 67 HB3 ALA 67 -2.896 6.098 1.002 526 HA PRO 68 HA PRO 68 -3.949 7.367 -4.941 527 HB2 PRO 68 HB2 PRO 68 -6.509 6.540 -5.321 528 HB3 PRO 68 HB1 PRO 68 -5.107 5.521 -5.663 529 HG2 PRO 68 HG1 PRO 68 -6.900 5.538 -3.266 530 HG3 PRO 68 HG2 PRO 68 -6.242 4.156 -4.162 531 HD2 PRO 68 HD2 PRO 68 -5.184 5.016 -1.822 532 HD3 PRO 68 HD1 PRO 68 -4.198 4.283 -3.103 533 H ASP 69 HN ASP 69 -5.399 9.025 -5.740 534 HA ASP 69 HA ASP 69 -6.499 10.638 -3.555 535 HB2 ASP 69 HB2 ASP 69 -4.745 11.625 -5.035 536 HB3 ASP 69 HB1 ASP 69 -5.859 11.470 -6.390 537 H LEU 70 HN LEU 70 -8.523 9.657 -3.331 538 HA LEU 70 HA LEU 70 -10.459 10.468 -5.333 539 HB2 LEU 70 HB1 LEU 70 -10.078 7.594 -4.509 540 HB3 LEU 70 HB2 LEU 70 -11.528 8.190 -5.292 541 HG LEU 70 HG LEU 70 -8.790 8.414 -6.535 542 HD11 LEU 70 HD11 LEU 70 -9.325 6.440 -7.829 543 HD12 LEU 70 HD12 LEU 70 -10.866 6.276 -6.989 544 HD13 LEU 70 HD13 LEU 70 -9.355 6.053 -6.107 545 HD21 LEU 70 HD21 LEU 70 -11.554 8.528 -7.733 546 HD22 LEU 70 HD22 LEU 70 -10.026 8.774 -8.579 547 HD23 LEU 70 HD23 LEU 70 -10.557 9.933 -7.360 548 H ALA 71 HN ALA 71 -12.451 10.811 -4.549 549 HA ALA 71 HA ALA 71 -12.918 11.545 -1.959 550 HB1 ALA 71 HB1 ALA 71 -15.002 10.385 -3.808 551 HB2 ALA 71 HB2 ALA 71 -14.435 12.054 -3.831 552 HB3 ALA 71 HB3 ALA 71 -15.299 11.436 -2.423 553 H GLY 72 HN GLY 72 -14.624 10.465 -0.399 554 HA2 GLY 72 HA1 GLY 72 -13.541 7.827 0.173 555 HA3 GLY 72 HA2 GLY 72 -14.533 8.806 1.240 556 H ARG 73 HN ARG 73 -15.125 6.231 1.144 557 HA ARG 73 HA ARG 73 -16.788 4.720 0.796 558 HB2 ARG 73 HB2 ARG 73 -18.432 7.096 -0.083 559 HB3 ARG 73 HB1 ARG 73 -19.032 5.557 0.520 560 HG2 ARG 73 HG2 ARG 73 -17.406 7.517 2.127 561 HG3 ARG 73 HG1 ARG 73 -19.164 7.375 2.179 562 HD2 ARG 73 HD2 ARG 73 -19.002 5.116 3.005 563 HD3 ARG 73 HD1 ARG 73 -17.249 5.139 2.827 564 HE ARG 73 HE ARG 73 -18.302 7.186 4.565 565 HH11 ARG 73 HH11 ARG 73 -17.106 3.920 4.340 566 HH12 ARG 73 HH12 ARG 73 -16.654 3.834 6.009 567 HH21 ARG 73 HH21 ARG 73 -17.708 7.081 6.764 568 HH22 ARG 73 HH22 ARG 73 -16.996 5.630 7.387 569 H LEU 74 HN LEU 74 -15.748 3.682 -0.905 570 HA LEU 74 HA LEU 74 -16.996 4.106 -3.524 571 HB2 LEU 74 HB1 LEU 74 -14.054 3.550 -3.156 572 HB3 LEU 74 HB2 LEU 74 -14.891 3.839 -4.669 573 HG LEU 74 HG LEU 74 -14.581 5.892 -2.477 574 HD11 LEU 74 HD11 LEU 74 -13.082 5.631 -5.078 575 HD12 LEU 74 HD12 LEU 74 -12.425 5.279 -3.480 576 HD13 LEU 74 HD13 LEU 74 -12.907 6.925 -3.892 577 HD21 LEU 74 HD21 LEU 74 -16.556 6.180 -3.914 578 HD22 LEU 74 HD22 LEU 74 -15.505 6.176 -5.332 579 HD23 LEU 74 HD23 LEU 74 -15.368 7.465 -4.136 580 H GLU 75 HN GLU 75 -17.906 2.278 -4.197 581 HA GLU 75 HA GLU 75 -17.762 -0.147 -2.861 582 HB2 GLU 75 HB1 GLU 75 -18.544 0.484 -5.707 583 HB3 GLU 75 HB2 GLU 75 -18.705 -1.123 -5.012 584 HG2 GLU 75 HG1 GLU 75 -20.814 0.040 -4.926 585 HG3 GLU 75 HG2 GLU 75 -20.200 -0.223 -3.294 586 H ILE 76 HN ILE 76 -16.022 -1.337 -2.555 587 HA ILE 76 HA ILE 76 -14.325 -1.995 -4.858 588 HB ILE 76 HB ILE 76 -13.495 -0.759 -2.285 589 HG12 ILE 76 HG12 ILE 76 -13.502 0.188 -4.752 590 HG13 ILE 76 HG11 ILE 76 -12.221 0.616 -3.624 591 HG21 ILE 76 HG21 ILE 76 -11.222 -1.709 -2.479 592 HG22 ILE 76 HG22 ILE 76 -11.826 -2.817 -3.709 593 HG23 ILE 76 HG23 ILE 76 -12.444 -2.910 -2.062 594 HD11 ILE 76 HD11 ILE 76 -11.397 0.066 -5.871 595 HD12 ILE 76 HD12 ILE 76 -12.039 -1.566 -5.686 596 HD13 ILE 76 HD13 ILE 76 -10.748 -1.001 -4.626 597 H GLU 77 HN GLU 77 -14.548 -4.127 -5.130 598 HA GLU 77 HA GLU 77 -15.156 -5.852 -2.897 599 HB2 GLU 77 HB2 GLU 77 -15.343 -7.640 -4.525 600 HB3 GLU 77 HB1 GLU 77 -16.218 -6.228 -5.094 601 HG2 GLU 77 HG2 GLU 77 -14.553 -5.724 -6.693 602 HG3 GLU 77 HG1 GLU 77 -13.430 -6.887 -5.988 603 H VAL 78 HN VAL 78 -13.711 -6.766 -1.657 604 HA VAL 78 HA VAL 78 -10.907 -6.711 -2.408 605 HB VAL 78 HB VAL 78 -12.201 -7.558 0.184 606 HG11 VAL 78 HG21 VAL 78 -10.029 -8.505 -0.002 607 HG12 VAL 78 HG22 VAL 78 -9.933 -7.134 1.101 608 HG13 VAL 78 HG23 VAL 78 -9.351 -6.977 -0.556 609 HG21 VAL 78 HG11 VAL 78 -10.972 -4.917 -0.609 610 HG22 VAL 78 HG12 VAL 78 -11.527 -5.342 1.010 611 HG23 VAL 78 HG13 VAL 78 -12.684 -5.223 -0.316 612 H ASN 79 HN ASN 79 -10.680 -8.392 -3.927 613 HA ASN 79 HA ASN 79 -11.751 -10.975 -3.587 614 HB2 ASN 79 HB2 ASN 79 -10.245 -11.642 -5.371 615 HB3 ASN 79 HB1 ASN 79 -10.928 -10.063 -5.746 616 HD21 ASN 79 HD21 ASN 79 -9.612 -8.204 -5.467 617 HD22 ASN 79 HD22 ASN 79 -7.891 -8.327 -5.532 618 H GLY 80 HN GLY 80 -8.815 -9.458 -2.468 619 HA2 GLY 80 HA1 GLY 80 -7.126 -11.454 -1.811 620 HA3 GLY 80 HA2 GLY 80 -7.413 -10.089 -0.742 621 H ASN 81 HN ASN 81 -10.190 -10.831 -0.200 622 HA ASN 81 HA ASN 81 -10.019 -13.440 1.055 623 HB2 ASN 81 HB2 ASN 81 -10.289 -12.730 3.280 624 HB3 ASN 81 HB1 ASN 81 -9.017 -11.699 2.641 625 HD21 ASN 81 HD21 ASN 81 -9.461 -9.528 2.222 626 HD22 ASN 81 HD22 ASN 81 -10.833 -8.734 2.907 627 H GLY 82 HN GLY 82 -11.676 -11.695 -0.899 628 HA2 GLY 82 HA2 GLY 82 -13.866 -11.716 -1.580 629 HA3 GLY 82 HA1 GLY 82 -14.170 -12.917 -0.335 630 H PHE 83 HN PHE 83 -12.779 -9.982 0.752 631 HA PHE 83 HA PHE 83 -15.137 -9.376 2.270 632 HB2 PHE 83 HB2 PHE 83 -13.033 -9.036 3.353 633 HB3 PHE 83 HB1 PHE 83 -12.449 -8.020 2.041 634 HD1 PHE 83 HD2 PHE 83 -15.467 -8.072 4.250 635 HD2 PHE 83 HD1 PHE 83 -12.253 -5.820 2.604 636 HE1 PHE 83 HE2 PHE 83 -16.264 -6.071 5.439 637 HE2 PHE 83 HE1 PHE 83 -13.044 -3.815 3.790 638 HZ PHE 83 HZ PHE 83 -15.052 -3.939 5.210 639 H ARG 84 HN ARG 84 -16.703 -8.858 0.737 640 HA ARG 84 HA ARG 84 -16.290 -6.720 -1.144 641 HB2 ARG 84 HB1 ARG 84 -17.822 -8.484 -1.746 642 HB3 ARG 84 HB2 ARG 84 -18.766 -8.230 -0.285 643 HG2 ARG 84 HG2 ARG 84 -19.456 -6.040 -1.095 644 HG3 ARG 84 HG1 ARG 84 -18.487 -6.268 -2.553 645 HD2 ARG 84 HD1 ARG 84 -20.868 -6.745 -2.933 646 HD3 ARG 84 HD2 ARG 84 -19.850 -8.159 -3.202 647 HE ARG 84 HE ARG 84 -20.737 -8.242 -0.562 648 HH11 ARG 84 HH11 ARG 84 -22.065 -8.424 -3.779 649 HH12 ARG 84 HH12 ARG 84 -23.390 -9.437 -3.313 650 HH21 ARG 84 HH21 ARG 84 -22.478 -9.577 0.059 651 HH22 ARG 84 HH22 ARG 84 -23.625 -10.092 -1.132 652 H GLY 85 HN GLY 85 -16.026 -4.719 -0.350 653 HA2 GLY 85 HA1 GLY 85 -18.175 -3.507 1.121 654 HA3 GLY 85 HA2 GLY 85 -16.744 -3.737 2.113 655 H GLU 86 HN GLU 86 -18.274 -1.389 0.754 656 HA GLU 86 HA GLU 86 -16.419 -0.138 -0.979 657 HB2 GLU 86 HB1 GLU 86 -17.733 1.924 -0.517 658 HB3 GLU 86 HB2 GLU 86 -18.731 0.556 -0.988 659 HG2 GLU 86 HG2 GLU 86 -19.291 0.164 1.364 660 HG3 GLU 86 HG1 GLU 86 -18.309 1.557 1.820 661 H LEU 87 HN LEU 87 -15.033 1.656 -0.550 662 HA LEU 87 HA LEU 87 -14.458 2.408 2.167 663 HB2 LEU 87 HB2 LEU 87 -13.310 0.179 1.825 664 HB3 LEU 87 HB1 LEU 87 -12.291 0.975 0.642 665 HG LEU 87 HG LEU 87 -11.370 2.434 2.345 666 HD11 LEU 87 HD21 LEU 87 -13.420 2.615 3.719 667 HD12 LEU 87 HD22 LEU 87 -11.978 2.264 4.670 668 HD13 LEU 87 HD23 LEU 87 -13.133 0.980 4.313 669 HD21 LEU 87 HD11 LEU 87 -11.374 -0.419 3.317 670 HD22 LEU 87 HD12 LEU 87 -10.140 0.804 3.616 671 HD23 LEU 87 HD13 LEU 87 -10.393 0.188 1.983 672 H SER 88 HN SER 88 -12.826 4.084 2.321 673 HA SER 88 HA SER 88 -12.938 5.870 0.076 674 HB2 SER 88 HB1 SER 88 -11.727 7.433 1.544 675 HB3 SER 88 HB2 SER 88 -13.110 6.721 2.375 676 HG SER 88 HG SER 88 -11.626 5.236 3.339 677 H ALA 89 HN ALA 89 -11.042 6.891 -0.871 678 HA ALA 89 HA ALA 89 -9.225 5.063 -1.933 679 HB1 ALA 89 HB1 ALA 89 -9.905 7.387 -2.779 680 HB2 ALA 89 HB2 ALA 89 -8.244 6.860 -3.042 681 HB3 ALA 89 HB3 ALA 89 -8.615 7.990 -1.739 682 H ASP 90 HN ASP 90 -9.122 6.869 1.016 683 HA ASP 90 HA ASP 90 -6.299 6.696 1.420 684 HB2 ASP 90 HB1 ASP 90 -7.616 8.453 2.492 685 HB3 ASP 90 HB2 ASP 90 -8.539 7.243 3.379 686 H ALA 91 HN ALA 91 -9.044 5.078 3.037 687 HA ALA 91 HA ALA 91 -7.368 3.220 4.399 688 HB1 ALA 91 HB1 ALA 91 -10.341 3.105 3.902 689 HB2 ALA 91 HB2 ALA 91 -9.549 3.862 5.283 690 HB3 ALA 91 HB3 ALA 91 -9.446 2.116 5.056 691 H ALA 92 HN ALA 92 -8.451 3.399 1.212 692 HA ALA 92 HA ALA 92 -8.433 0.530 0.743 693 HB1 ALA 92 HB1 ALA 92 -9.037 1.067 -1.535 694 HB2 ALA 92 HB2 ALA 92 -8.722 2.778 -1.248 695 HB3 ALA 92 HB3 ALA 92 -10.062 1.980 -0.427 696 H GLY 93 HN GLY 93 -6.464 3.376 0.129 697 HA2 GLY 93 HA2 GLY 93 -4.563 2.183 -1.570 698 HA3 GLY 93 HA1 GLY 93 -4.289 3.603 -0.569 699 H ILE 94 HN ILE 94 -5.157 1.808 1.780 700 HA ILE 94 HA ILE 94 -2.518 1.103 2.602 701 HB ILE 94 HB ILE 94 -4.896 -0.064 3.977 702 HG12 ILE 94 HG11 ILE 94 -5.673 2.188 3.433 703 HG13 ILE 94 HG12 ILE 94 -5.323 2.062 5.152 704 HG21 ILE 94 HG21 ILE 94 -2.333 1.214 4.907 705 HG22 ILE 94 HG22 ILE 94 -2.725 -0.505 4.896 706 HG23 ILE 94 HG23 ILE 94 -3.587 0.589 5.977 707 HD11 ILE 94 HD11 ILE 94 -4.582 4.180 4.120 708 HD12 ILE 94 HD12 ILE 94 -3.447 3.256 3.134 709 HD13 ILE 94 HD13 ILE 94 -3.281 3.270 4.890 710 H VAL 95 HN VAL 95 -5.363 -0.728 1.599 711 HA VAL 95 HA VAL 95 -4.153 -3.290 1.903 712 HB VAL 95 HB VAL 95 -6.621 -2.473 0.362 713 HG11 VAL 95 HG21 VAL 95 -5.757 -4.618 -0.404 714 HG12 VAL 95 HG22 VAL 95 -7.258 -4.830 0.495 715 HG13 VAL 95 HG23 VAL 95 -5.714 -5.205 1.258 716 HG21 VAL 95 HG11 VAL 95 -6.350 -3.625 3.136 717 HG22 VAL 95 HG12 VAL 95 -7.858 -3.223 2.314 718 HG23 VAL 95 HG13 VAL 95 -6.727 -1.944 2.757 719 H ALA 96 HN ALA 96 -4.214 -0.908 -0.624 720 HA ALA 96 HA ALA 96 -3.644 -2.696 -2.778 721 HB1 ALA 96 HB1 ALA 96 -3.242 -0.701 -4.083 722 HB2 ALA 96 HB2 ALA 96 -3.188 0.279 -2.617 723 HB3 ALA 96 HB3 ALA 96 -4.696 -0.494 -3.107 724 H THR 97 HN THR 97 -1.671 -0.505 -0.789 725 HA THR 97 HA THR 97 0.773 -1.217 -2.095 726 HB THR 97 HB THR 97 0.641 0.954 -1.072 727 HG1 THR 97 HG1 THR 97 2.362 -0.165 0.776 728 HG21 THR 97 HG21 THR 97 -0.987 0.451 0.683 729 HG22 THR 97 HG22 THR 97 0.436 1.250 1.352 730 HG23 THR 97 HG23 THR 97 0.228 -0.490 1.548 731 H LEU 98 HN LEU 98 -0.730 -2.079 1.008 732 HA LEU 98 HA LEU 98 1.294 -3.605 2.103 733 HB2 LEU 98 HB2 LEU 98 -1.688 -3.774 2.279 734 HB3 LEU 98 HB1 LEU 98 -0.699 -4.991 3.062 735 HG LEU 98 HG LEU 98 -0.526 -2.023 3.600 736 HD11 LEU 98 HD21 LEU 98 -1.594 -2.556 5.735 737 HD12 LEU 98 HD22 LEU 98 -1.794 -4.229 5.216 738 HD13 LEU 98 HD23 LEU 98 -2.644 -2.936 4.371 739 HD21 LEU 98 HD11 LEU 98 1.583 -3.137 3.991 740 HD22 LEU 98 HD12 LEU 98 0.779 -4.388 4.938 741 HD23 LEU 98 HD13 LEU 98 0.831 -2.728 5.532 742 H PHE 99 HN PHE 99 -1.279 -4.727 -0.093 743 HA PHE 99 HA PHE 99 -0.509 -7.412 -0.189 744 HB2 PHE 99 HB1 PHE 99 -2.190 -5.627 -1.834 745 HB3 PHE 99 HB2 PHE 99 -1.568 -7.053 -2.658 746 HD1 PHE 99 HD2 PHE 99 -3.728 -5.843 0.045 747 HD2 PHE 99 HD1 PHE 99 -2.301 -9.258 -2.060 748 HE1 PHE 99 HE2 PHE 99 -5.507 -7.208 1.056 749 HE2 PHE 99 HE1 PHE 99 -4.078 -10.627 -1.052 750 HZ PHE 99 HZ PHE 99 -5.684 -9.603 0.509 751 H ALA 100 HN ALA 100 0.665 -4.626 -1.979 752 HA ALA 100 HA ALA 100 2.121 -6.023 -3.947 753 HB1 ALA 100 HB1 ALA 100 2.727 -3.298 -2.814 754 HB2 ALA 100 HB2 ALA 100 1.543 -3.625 -4.079 755 HB3 ALA 100 HB3 ALA 100 3.254 -3.938 -4.369 756 H LEU 101 HN LEU 101 2.996 -4.875 -0.721 757 HA LEU 101 HA LEU 101 5.736 -5.407 -0.807 758 HB2 LEU 101 HB2 LEU 101 3.776 -5.438 1.480 759 HB3 LEU 101 HB1 LEU 101 5.504 -5.630 1.705 760 HG LEU 101 HG LEU 101 4.211 -3.208 0.445 761 HD11 LEU 101 HD11 LEU 101 3.572 -3.424 2.793 762 HD12 LEU 101 HD12 LEU 101 4.686 -2.078 2.554 763 HD13 LEU 101 HD13 LEU 101 5.269 -3.593 3.243 764 HD21 LEU 101 HD21 LEU 101 7.026 -3.739 1.386 765 HD22 LEU 101 HD22 LEU 101 6.416 -2.189 0.806 766 HD23 LEU 101 HD23 LEU 101 6.497 -3.571 -0.288 767 H GLY 102 HN GLY 102 3.021 -7.490 0.113 768 HA2 GLY 102 HA2 GLY 102 4.608 -9.706 0.903 769 HA3 GLY 102 HA1 GLY 102 2.898 -9.752 0.504 770 H GLN 103 HN GLN 103 3.597 -8.557 -2.206 771 HA GLN 103 HA GLN 103 3.955 -11.096 -3.523 772 HB2 GLN 103 HB2 GLN 103 2.335 -9.461 -4.374 773 HB3 GLN 103 HB1 GLN 103 3.639 -8.319 -4.676 774 HG2 GLN 103 HG1 GLN 103 4.545 -9.671 -6.396 775 HG3 GLN 103 HG2 GLN 103 3.504 -11.028 -5.967 776 HE21 GLN 103 HE21 GLN 103 2.355 -7.743 -6.043 777 HE22 GLN 103 HE22 GLN 103 1.353 -7.915 -7.440 778 H LEU 104 HN LEU 104 5.754 -8.035 -3.351 779 HA LEU 104 HA LEU 104 7.844 -8.710 -5.070 780 HB2 LEU 104 HB2 LEU 104 7.719 -6.879 -2.686 781 HB3 LEU 104 HB1 LEU 104 9.169 -7.045 -3.657 782 HG LEU 104 HG LEU 104 6.507 -6.202 -4.799 783 HD11 LEU 104 HD11 LEU 104 8.807 -4.487 -3.871 784 HD12 LEU 104 HD12 LEU 104 7.209 -4.574 -3.133 785 HD13 LEU 104 HD13 LEU 104 7.393 -3.918 -4.760 786 HD21 LEU 104 HD21 LEU 104 8.089 -7.142 -6.404 787 HD22 LEU 104 HD22 LEU 104 9.327 -6.013 -5.852 788 HD23 LEU 104 HD23 LEU 104 7.881 -5.409 -6.659 789 H ALA 105 HN ALA 105 7.238 -9.610 -1.766 790 HA ALA 105 HA ALA 105 9.888 -10.537 -1.205 791 HB1 ALA 105 HB1 ALA 105 8.458 -9.862 0.615 792 HB2 ALA 105 HB2 ALA 105 8.839 -11.576 0.786 793 HB3 ALA 105 HB3 ALA 105 7.261 -11.081 0.175 794 H ALA 106 HN ALA 106 7.022 -11.907 -2.629 795 HA ALA 106 HA ALA 106 8.156 -14.604 -2.555 796 HB1 ALA 106 HB1 ALA 106 5.814 -14.344 -1.907 797 HB2 ALA 106 HB2 ALA 106 5.974 -15.345 -3.350 798 HB3 ALA 106 HB3 ALA 106 5.450 -13.667 -3.496 799 H GLU 107 HN GLU 107 8.149 -11.932 -4.570 800 HA GLU 107 HA GLU 107 8.009 -13.313 -7.091 801 HB2 GLU 107 HB1 GLU 107 7.306 -10.977 -6.912 802 HB3 GLU 107 HB2 GLU 107 8.928 -10.511 -6.417 803 HG2 GLU 107 HG1 GLU 107 9.781 -11.259 -8.604 804 HG3 GLU 107 HG2 GLU 107 8.128 -11.635 -9.093 805 H ILE 108 HN ILE 108 10.599 -11.726 -5.234 806 HA ILE 108 HA ILE 108 12.669 -12.558 -7.002 807 HB ILE 108 HB ILE 108 14.200 -11.884 -5.124 808 HG12 ILE 108 HG11 ILE 108 11.609 -11.043 -3.802 809 HG13 ILE 108 HG12 ILE 108 12.603 -12.404 -3.287 810 HG21 ILE 108 HG21 ILE 108 13.664 -9.486 -5.318 811 HG22 ILE 108 HG22 ILE 108 12.101 -9.910 -6.013 812 HG23 ILE 108 HG23 ILE 108 13.586 -10.324 -6.869 813 HD11 ILE 108 HD11 ILE 108 13.476 -9.527 -3.326 814 HD12 ILE 108 HD12 ILE 108 14.424 -10.900 -2.755 815 HD13 ILE 108 HD13 ILE 108 12.954 -10.426 -1.903 816 H ALA 109 HN ALA 109 13.660 -14.451 -7.144 817 HA ALA 109 HA ALA 109 12.907 -16.712 -5.690 818 HB1 ALA 109 HB1 ALA 109 14.804 -17.825 -6.752 819 HB2 ALA 109 HB2 ALA 109 15.452 -16.260 -7.243 820 HB3 ALA 109 HB3 ALA 109 13.920 -16.827 -7.907 821 H ASP 110 HN ASP 110 15.476 -14.387 -5.143 822 HA ASP 110 HA ASP 110 17.017 -15.818 -3.304 823 HB2 ASP 110 HB2 ASP 110 16.500 -12.836 -3.364 824 HB3 ASP 110 HB1 ASP 110 17.839 -13.636 -2.546 825 H THR 111 HN THR 111 17.198 -15.311 -0.940 826 HA THR 111 HA THR 111 14.507 -15.152 0.255 827 HB THR 111 HB THR 111 15.440 -17.363 0.568 828 HG1 THR 111 HG1 THR 111 14.428 -16.042 2.405 829 HG21 THR 111 HG21 THR 111 17.815 -15.908 1.725 830 HG22 THR 111 HG22 THR 111 17.787 -16.965 0.314 831 HG23 THR 111 HG23 THR 111 17.531 -17.637 1.923 832 H ASP 112 HN ASP 112 17.748 -13.933 0.291 833 HA ASP 112 HA ASP 112 17.789 -12.740 2.835 834 HB2 ASP 112 HB1 ASP 112 19.806 -13.018 1.464 835 HB3 ASP 112 HB2 ASP 112 19.181 -11.854 0.297 836 H ALA 113 HN ALA 113 16.949 -11.346 -0.335 837 HA ALA 113 HA ALA 113 16.022 -8.900 0.892 838 HB1 ALA 113 HB1 ALA 113 17.172 -8.893 -1.291 839 HB2 ALA 113 HB2 ALA 113 15.574 -8.151 -1.363 840 HB3 ALA 113 HB3 ALA 113 15.818 -9.784 -1.984 841 H ALA 114 HN ALA 114 14.699 -11.940 0.228 842 HA ALA 114 HA ALA 114 12.002 -11.112 -0.300 843 HB1 ALA 114 HB1 ALA 114 12.841 -13.258 -1.104 844 HB2 ALA 114 HB2 ALA 114 11.450 -13.481 -0.043 845 HB3 ALA 114 HB3 ALA 114 13.078 -13.796 0.559 846 H ASP 115 HN ASP 115 13.886 -11.079 2.432 847 HA ASP 115 HA ASP 115 11.518 -11.141 4.180 848 HB2 ASP 115 HB2 ASP 115 13.028 -13.081 4.575 849 HB3 ASP 115 HB1 ASP 115 14.332 -11.956 4.946 850 H ALA 116 HN ALA 116 14.076 -9.327 2.912 851 HA ALA 116 HA ALA 116 14.437 -7.581 5.168 852 HB1 ALA 116 HB1 ALA 116 16.271 -7.965 3.613 853 HB2 ALA 116 HB2 ALA 116 15.816 -6.260 3.628 854 HB3 ALA 116 HB3 ALA 116 15.310 -7.297 2.294 855 H LEU 117 HN LEU 117 12.920 -7.304 1.945 856 HA LEU 117 HA LEU 117 11.884 -4.730 2.335 857 HB2 LEU 117 HB2 LEU 117 10.724 -5.011 0.348 858 HB3 LEU 117 HB1 LEU 117 12.072 -6.110 0.162 859 HG LEU 117 HG LEU 117 10.242 -7.273 -0.690 860 HD11 LEU 117 HD11 LEU 117 9.930 -9.164 0.757 861 HD12 LEU 117 HD12 LEU 117 10.437 -8.223 2.158 862 HD13 LEU 117 HD13 LEU 117 11.595 -8.599 0.883 863 HD21 LEU 117 HD21 LEU 117 8.659 -6.421 1.725 864 HD22 LEU 117 HD22 LEU 117 8.087 -7.501 0.453 865 HD23 LEU 117 HD23 LEU 117 8.473 -5.822 0.077 866 H ILE 118 HN ILE 118 11.079 -7.675 3.725 867 HA ILE 118 HA ILE 118 8.307 -7.286 4.185 868 HB ILE 118 HB ILE 118 10.403 -9.055 5.416 869 HG12 ILE 118 HG12 ILE 118 9.533 -9.656 3.205 870 HG13 ILE 118 HG11 ILE 118 9.051 -10.838 4.417 871 HG21 ILE 118 HG21 ILE 118 7.501 -9.037 6.227 872 HG22 ILE 118 HG22 ILE 118 8.807 -8.348 7.191 873 HG23 ILE 118 HG23 ILE 118 8.781 -10.080 6.848 874 HD11 ILE 118 HD11 ILE 118 7.229 -10.375 2.902 875 HD12 ILE 118 HD12 ILE 118 7.320 -8.655 3.282 876 HD13 ILE 118 HD13 ILE 118 6.833 -9.809 4.524 877 H ASP 119 HN ASP 119 11.184 -6.093 5.629 878 HA ASP 119 HA ASP 119 10.417 -5.529 8.230 879 HB2 ASP 119 HB2 ASP 119 12.658 -5.121 6.815 880 HB3 ASP 119 HB1 ASP 119 12.027 -3.479 6.813 881 H ARG 120 HN ARG 120 9.900 -3.620 5.283 882 HA ARG 120 HA ARG 120 8.698 -1.439 6.699 883 HB2 ARG 120 HB2 ARG 120 7.817 -0.977 4.225 884 HB3 ARG 120 HB1 ARG 120 9.452 -0.597 4.737 885 HG2 ARG 120 HG2 ARG 120 9.016 -3.296 3.639 886 HG3 ARG 120 HG1 ARG 120 8.891 -1.945 2.511 887 HD2 ARG 120 HD1 ARG 120 11.113 -1.152 3.457 888 HD3 ARG 120 HD2 ARG 120 11.234 -2.738 4.219 889 HE ARG 120 HE ARG 120 10.744 -3.308 1.609 890 HH11 ARG 120 HH11 ARG 120 13.117 -1.362 3.260 891 HH12 ARG 120 HH12 ARG 120 14.347 -1.621 2.068 892 HH21 ARG 120 HH21 ARG 120 12.357 -3.655 0.037 893 HH22 ARG 120 HH22 ARG 120 13.915 -2.925 0.236 894 H TYR 121 HN TYR 121 7.509 -4.389 5.285 895 HA TYR 121 HA TYR 121 4.792 -3.700 5.075 896 HB2 TYR 121 HB2 TYR 121 5.676 -5.735 4.055 897 HB3 TYR 121 HB1 TYR 121 6.039 -6.400 5.646 898 HD1 TYR 121 HD1 TYR 121 4.179 -7.070 7.157 899 HD2 TYR 121 HD2 TYR 121 3.475 -5.844 3.148 900 HE1 TYR 121 HE1 TYR 121 1.941 -8.086 7.246 901 HE2 TYR 121 HE2 TYR 121 1.234 -6.853 3.224 902 HH TYR 121 HH TYR 121 0.042 -8.597 4.481 903 H HIS 122 HN HIS 122 6.591 -5.220 7.745 904 HA HIS 122 HA HIS 122 4.452 -5.538 9.508 905 HB2 HIS 122 HB2 HIS 122 7.402 -5.131 9.972 906 HB3 HIS 122 HB1 HIS 122 6.276 -5.354 11.308 907 HD1 HIS 122 HD1 HIS 122 5.585 -7.706 11.850 908 HD2 HIS 122 HD2 HIS 122 7.590 -7.419 8.222 909 HE1 HIS 122 HE1 HIS 122 5.997 -10.078 11.119 910 HE2 HIS 122 HE2 HIS 122 7.247 -9.880 8.941 911 H PHE 123 HN PHE 123 6.397 -2.730 8.751 912 HA PHE 123 HA PHE 123 5.486 -1.134 10.933 913 HB2 PHE 123 HB2 PHE 123 6.696 -0.323 8.280 914 HB3 PHE 123 HB1 PHE 123 6.431 0.765 9.637 915 HD1 PHE 123 HD2 PHE 123 7.265 -1.078 11.863 916 HD2 PHE 123 HD1 PHE 123 9.023 -0.235 8.079 917 HE1 PHE 123 HE2 PHE 123 9.478 -1.663 12.764 918 HE2 PHE 123 HE1 PHE 123 11.239 -0.818 8.975 919 HZ PHE 123 HZ PHE 123 11.469 -1.533 11.320 920 H LEU 124 HN LEU 124 4.704 -1.108 7.460 921 HA LEU 124 HA LEU 124 2.684 0.773 7.474 922 HB2 LEU 124 HB1 LEU 124 3.835 -0.669 5.577 923 HB3 LEU 124 HB2 LEU 124 2.400 -1.652 5.765 924 HG LEU 124 HG LEU 124 2.415 1.286 5.073 925 HD11 LEU 124 HD11 LEU 124 3.306 -0.075 3.266 926 HD12 LEU 124 HD12 LEU 124 1.705 0.539 2.854 927 HD13 LEU 124 HD13 LEU 124 1.902 -1.139 3.358 928 HD21 LEU 124 HD21 LEU 124 0.143 -0.696 5.139 929 HD22 LEU 124 HD22 LEU 124 0.043 0.994 4.642 930 HD23 LEU 124 HD23 LEU 124 0.419 0.588 6.316 931 H ARG 125 HN ARG 125 2.309 -2.758 7.672 932 HA ARG 125 HA ARG 125 -0.372 -3.011 8.004 933 HB2 ARG 125 HB2 ARG 125 1.208 -4.899 7.930 934 HB3 ARG 125 HB1 ARG 125 1.737 -4.516 9.562 935 HG2 ARG 125 HG1 ARG 125 -0.474 -5.023 10.424 936 HG3 ARG 125 HG2 ARG 125 -1.051 -5.349 8.787 937 HD2 ARG 125 HD2 ARG 125 0.521 -7.194 8.582 938 HD3 ARG 125 HD1 ARG 125 1.158 -6.851 10.189 939 HE ARG 125 HE ARG 125 -1.628 -7.301 10.322 940 HH11 ARG 125 HH11 ARG 125 1.389 -8.980 9.852 941 HH12 ARG 125 HH12 ARG 125 0.804 -10.479 10.492 942 HH21 ARG 125 HH21 ARG 125 -2.408 -9.271 11.168 943 HH22 ARG 125 HH22 ARG 125 -1.355 -10.645 11.239 944 H GLY 126 HN GLY 126 1.952 -1.953 10.436 945 HA2 GLY 126 HA2 GLY 126 0.192 -1.998 12.643 946 HA3 GLY 126 HA1 GLY 126 1.678 -1.069 12.528 947 H PHE 127 HN PHE 127 0.857 0.481 10.199 948 HA PHE 127 HA PHE 127 -0.431 2.605 11.541 949 HB2 PHE 127 HB1 PHE 127 1.122 2.883 9.631 950 HB3 PHE 127 HB2 PHE 127 -0.095 2.195 8.564 951 HD1 PHE 127 HD2 PHE 127 0.021 4.852 11.190 952 HD2 PHE 127 HD1 PHE 127 -1.198 3.717 7.274 953 HE1 PHE 127 HE2 PHE 127 -0.936 7.092 10.843 954 HE2 PHE 127 HE1 PHE 127 -2.156 5.955 6.919 955 HZ PHE 127 HZ PHE 127 -2.026 7.645 8.705 956 H ALA 128 HN ALA 128 -1.626 -0.116 9.815 957 HA ALA 128 HA ALA 128 -4.219 1.000 9.250 958 HB1 ALA 128 HB1 ALA 128 -3.201 -0.718 7.808 959 HB2 ALA 128 HB2 ALA 128 -4.779 -1.205 8.426 960 HB3 ALA 128 HB3 ALA 128 -3.310 -1.873 9.137 961 H ALA 129 HN ALA 129 -2.736 -0.120 12.013 962 HA ALA 129 HA ALA 129 -5.183 -1.214 13.194 963 HB1 ALA 129 HB1 ALA 129 -3.760 -1.879 15.052 964 HB2 ALA 129 HB2 ALA 129 -2.392 -1.052 14.308 965 HB3 ALA 129 HB3 ALA 129 -3.104 -2.459 13.521 966 H GLY 130 HN GLY 130 -4.744 1.621 12.514 967 HA2 GLY 130 HA2 GLY 130 -5.500 2.742 15.103 968 HA3 GLY 130 HA1 GLY 130 -4.120 3.470 14.294 969 H HIS 131 HN HIS 131 -5.976 2.451 11.854 970 HA HIS 131 HA HIS 131 -6.980 5.088 11.294 971 HB2 HIS 131 HB2 HIS 131 -6.549 2.584 9.820 972 HB3 HIS 131 HB1 HIS 131 -7.991 3.466 9.320 973 HD1 HIS 131 HD1 HIS 131 -7.169 6.302 9.253 974 HD2 HIS 131 HD2 HIS 131 -4.592 3.254 8.103 975 HE1 HIS 131 HE1 HIS 131 -5.472 7.389 7.750 976 HE2 HIS 131 HE2 HIS 131 -3.990 5.504 6.979 977 HA PRO 132 HA PRO 132 -11.147 4.662 12.688 978 HB2 PRO 132 HB2 PRO 132 -12.111 5.890 10.190 979 HB3 PRO 132 HB1 PRO 132 -12.225 6.484 11.848 980 HG2 PRO 132 HG1 PRO 132 -10.578 7.612 10.049 981 HG3 PRO 132 HG2 PRO 132 -10.156 7.502 11.767 982 HD2 PRO 132 HD2 PRO 132 -9.219 5.826 9.471 983 HD3 PRO 132 HD1 PRO 132 -8.304 6.447 10.861 984 H GLU 133 HN GLU 133 -10.193 3.470 9.598 985 HA GLU 133 HA GLU 133 -12.546 1.696 9.513 986 HB2 GLU 133 HB1 GLU 133 -10.759 2.675 7.283 987 HB3 GLU 133 HB2 GLU 133 -11.931 1.379 7.084 988 HG2 GLU 133 HG1 GLU 133 -13.280 3.029 6.422 989 HG3 GLU 133 HG2 GLU 133 -13.498 3.292 8.152 990 H ALA 134 HN ALA 134 -9.876 1.536 10.931 991 HA ALA 134 HA ALA 134 -8.093 -0.253 9.949 992 HB1 ALA 134 HB1 ALA 134 -7.634 -0.929 12.236 993 HB2 ALA 134 HB2 ALA 134 -9.183 -0.271 12.761 994 HB3 ALA 134 HB3 ALA 134 -7.926 0.808 12.156 995 H ALA 135 HN ALA 135 -11.142 -1.096 11.584 996 HA ALA 135 HA ALA 135 -10.984 -3.811 11.607 997 HB1 ALA 135 HB1 ALA 135 -13.470 -2.252 10.932 998 HB2 ALA 135 HB2 ALA 135 -12.826 -2.472 12.559 999 HB3 ALA 135 HB3 ALA 135 -13.390 -3.867 11.638 1000 H ALA 136 HN ALA 136 -12.066 -1.812 8.866 1001 HA ALA 136 HA ALA 136 -12.558 -4.087 7.195 1002 HB1 ALA 136 HB1 ALA 136 -12.961 -2.452 5.432 1003 HB2 ALA 136 HB2 ALA 136 -12.326 -1.172 6.465 1004 HB3 ALA 136 HB3 ALA 136 -13.809 -2.013 6.914 1005 H ILE 137 HN ILE 137 -9.874 -1.862 7.649 1006 HA ILE 137 HA ILE 137 -8.441 -2.523 5.321 1007 HB ILE 137 HB ILE 137 -7.407 -1.485 7.956 1008 HG12 ILE 137 HG12 ILE 137 -8.082 -0.007 5.403 1009 HG13 ILE 137 HG11 ILE 137 -9.129 -0.079 6.816 1010 HG21 ILE 137 HG21 ILE 137 -5.482 -0.696 6.616 1011 HG22 ILE 137 HG22 ILE 137 -6.111 -1.597 5.237 1012 HG23 ILE 137 HG23 ILE 137 -5.601 -2.453 6.692 1013 HD11 ILE 137 HD11 ILE 137 -7.444 1.061 8.142 1014 HD12 ILE 137 HD12 ILE 137 -7.883 2.008 6.719 1015 HD13 ILE 137 HD13 ILE 137 -6.366 1.106 6.746 1016 H TYR 138 HN TYR 138 -8.003 -3.729 8.672 1017 HA TYR 138 HA TYR 138 -5.865 -5.445 7.998 1018 HB2 TYR 138 HB2 TYR 138 -5.862 -6.116 10.200 1019 HB3 TYR 138 HB1 TYR 138 -6.663 -4.556 10.325 1020 HD1 TYR 138 HD2 TYR 138 -7.130 -8.193 10.484 1021 HD2 TYR 138 HD1 TYR 138 -8.983 -4.392 10.944 1022 HE1 TYR 138 HE2 TYR 138 -9.028 -9.265 11.622 1023 HE2 TYR 138 HE1 TYR 138 -10.885 -5.453 12.088 1024 HH TYR 138 HH TYR 138 -10.808 -8.662 13.197 1025 H ARG 139 HN ARG 139 -9.339 -5.896 7.996 1026 HA ARG 139 HA ARG 139 -9.160 -8.750 7.668 1027 HB2 ARG 139 HB2 ARG 139 -11.558 -8.704 7.342 1028 HB3 ARG 139 HB1 ARG 139 -11.135 -7.685 8.710 1029 HG2 ARG 139 HG2 ARG 139 -11.316 -5.705 7.243 1030 HG3 ARG 139 HG1 ARG 139 -11.848 -6.765 5.935 1031 HD2 ARG 139 HD1 ARG 139 -13.228 -6.342 8.583 1032 HD3 ARG 139 HD2 ARG 139 -13.766 -5.750 7.012 1033 HE ARG 139 HE ARG 139 -13.559 -8.476 6.738 1034 HH11 ARG 139 HH11 ARG 139 -15.332 -6.283 8.786 1035 HH12 ARG 139 HH12 ARG 139 -16.676 -7.356 8.988 1036 HH21 ARG 139 HH21 ARG 139 -15.326 -9.894 7.001 1037 HH22 ARG 139 HH22 ARG 139 -16.673 -9.407 7.975 1038 H ALA 140 HN ALA 140 -9.348 -5.946 5.612 1039 HA ALA 140 HA ALA 140 -9.975 -7.250 3.188 1040 HB1 ALA 140 HB1 ALA 140 -10.194 -4.838 3.455 1041 HB2 ALA 140 HB2 ALA 140 -9.135 -5.224 2.099 1042 HB3 ALA 140 HB3 ALA 140 -8.445 -4.688 3.630 1043 H ILE 141 HN ILE 141 -6.989 -6.741 4.929 1044 HA ILE 141 HA ILE 141 -5.422 -7.896 2.742 1045 HB ILE 141 HB ILE 141 -3.451 -7.310 4.092 1046 HG12 ILE 141 HG11 ILE 141 -5.406 -6.017 6.003 1047 HG13 ILE 141 HG12 ILE 141 -4.625 -7.567 6.303 1048 HG21 ILE 141 HG21 ILE 141 -3.719 -4.840 3.966 1049 HG22 ILE 141 HG22 ILE 141 -5.435 -5.087 3.641 1050 HG23 ILE 141 HG23 ILE 141 -4.226 -5.688 2.506 1051 HD11 ILE 141 HD11 ILE 141 -3.240 -4.920 5.968 1052 HD12 ILE 141 HD12 ILE 141 -2.443 -6.471 6.235 1053 HD13 ILE 141 HD13 ILE 141 -3.490 -5.792 7.480 1054 H ASP 142 HN ASP 142 -7.020 -8.830 5.539 1055 HA ASP 142 HA ASP 142 -5.357 -10.747 6.687 1056 HB2 ASP 142 HB1 ASP 142 -7.474 -10.006 7.700 1057 HB3 ASP 142 HB2 ASP 142 -8.371 -10.824 6.424 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 2.056 -6.365 19.365 2 H2 MET 1 HT2 MET 1 2.189 -7.528 18.145 3 H3 MET 1 HT3 MET 1 0.919 -7.611 19.257 4 HA MET 1 HA MET 1 1.335 -5.452 17.274 5 HB2 MET 1 HB1 MET 1 0.652 -7.581 16.248 6 HB3 MET 1 HB2 MET 1 -0.712 -7.679 17.354 7 HG2 MET 1 HG2 MET 1 -1.677 -5.680 16.380 8 HG3 MET 1 HG1 MET 1 -0.288 -5.512 15.308 9 HE1 MET 1 HE1 MET 1 -3.311 -8.992 15.067 10 HE2 MET 1 HE2 MET 1 -3.418 -7.680 16.240 11 HE3 MET 1 HE3 MET 1 -2.108 -8.855 16.348 12 H ASN 2 HN ASN 2 -0.612 -6.827 19.871 13 HA ASN 2 HA ASN 2 -2.120 -5.921 21.306 14 HB2 ASN 2 HB2 ASN 2 -0.833 -3.335 20.410 15 HB3 ASN 2 HB1 ASN 2 -1.948 -3.480 21.765 16 HD21 ASN 2 HD21 ASN 2 1.225 -4.258 20.567 17 HD22 ASN 2 HD22 ASN 2 1.920 -4.665 22.095 18 H THR 3 HN THR 3 -3.956 -4.167 21.418 19 HA THR 3 HA THR 3 -5.407 -4.400 18.887 20 HB THR 3 HB THR 3 -7.426 -3.877 20.199 21 HG1 THR 3 HG1 THR 3 -7.292 -3.519 22.377 22 HG21 THR 3 HG21 THR 3 -7.457 -5.938 21.571 23 HG22 THR 3 HG22 THR 3 -5.716 -6.092 21.336 24 HG23 THR 3 HG23 THR 3 -6.807 -6.206 19.953 25 H GLU 4 HN GLU 4 -3.957 -2.056 20.960 26 HA GLU 4 HA GLU 4 -4.665 0.042 19.077 27 HB2 GLU 4 HB2 GLU 4 -5.429 1.569 20.831 28 HB3 GLU 4 HB1 GLU 4 -6.453 0.145 20.741 29 HG2 GLU 4 HG1 GLU 4 -5.239 -0.811 22.661 30 HG3 GLU 4 HG2 GLU 4 -4.300 0.676 22.773 31 H GLU 5 HN GLU 5 -3.702 2.227 20.309 32 HA GLU 5 HA GLU 5 -1.824 3.384 20.835 33 HB2 GLU 5 HB2 GLU 5 -1.802 2.109 22.902 34 HB3 GLU 5 HB1 GLU 5 -0.997 0.767 22.101 35 HG2 GLU 5 HG2 GLU 5 0.545 2.076 23.463 36 HG3 GLU 5 HG1 GLU 5 0.981 2.119 21.756 37 H GLN 6 HN GLN 6 -0.547 4.016 19.251 38 HA GLN 6 HA GLN 6 1.517 2.282 18.231 39 HB2 GLN 6 HB2 GLN 6 0.858 2.638 15.844 40 HB3 GLN 6 HB1 GLN 6 -0.226 1.589 16.746 41 HG2 GLN 6 HG2 GLN 6 -1.837 3.358 16.970 42 HG3 GLN 6 HG1 GLN 6 -0.729 4.509 16.220 43 HE21 GLN 6 HE21 GLN 6 -0.368 4.414 14.008 44 HE22 GLN 6 HE22 GLN 6 -1.412 3.546 12.942 45 HA PRO 7 HA PRO 7 3.057 6.531 18.442 46 HB2 PRO 7 HB2 PRO 7 5.669 5.233 18.402 47 HB3 PRO 7 HB1 PRO 7 4.962 6.257 19.657 48 HG2 PRO 7 HG1 PRO 7 5.336 3.611 20.011 49 HG3 PRO 7 HG2 PRO 7 3.961 4.473 20.727 50 HD2 PRO 7 HD1 PRO 7 4.052 2.766 18.261 51 HD3 PRO 7 HD2 PRO 7 2.832 2.812 19.554 52 H VAL 8 HN VAL 8 2.944 4.424 16.065 53 HA VAL 8 HA VAL 8 4.893 5.706 14.303 54 HB VAL 8 HB VAL 8 3.115 3.403 13.553 55 HG11 VAL 8 HG11 VAL 8 4.826 2.920 11.925 56 HG12 VAL 8 HG12 VAL 8 5.861 4.185 12.582 57 HG13 VAL 8 HG13 VAL 8 4.353 4.613 11.775 58 HG21 VAL 8 HG21 VAL 8 5.774 3.265 14.972 59 HG22 VAL 8 HG22 VAL 8 4.949 1.891 14.234 60 HG23 VAL 8 HG23 VAL 8 4.212 2.734 15.599 61 H THR 9 HN THR 9 4.332 7.127 12.780 62 HA THR 9 HA THR 9 1.606 7.180 11.738 63 HB THR 9 HB THR 9 1.471 9.649 11.999 64 HG1 THR 9 HG1 THR 9 3.258 9.771 14.066 65 HG21 THR 9 HG21 THR 9 0.886 9.639 14.383 66 HG22 THR 9 HG22 THR 9 1.735 8.107 14.584 67 HG23 THR 9 HG23 THR 9 0.295 8.192 13.568 68 H ALA 10 HN ALA 10 1.480 7.837 9.636 69 HA ALA 10 HA ALA 10 3.964 8.065 8.195 70 HB1 ALA 10 HB1 ALA 10 2.056 6.734 7.348 71 HB2 ALA 10 HB2 ALA 10 2.618 7.950 6.200 72 HB3 ALA 10 HB3 ALA 10 1.146 8.231 7.133 73 H SER 11 HN SER 11 3.727 9.727 6.206 74 HA SER 11 HA SER 11 2.650 12.291 6.943 75 HB2 SER 11 HB2 SER 11 4.716 12.274 8.284 76 HB3 SER 11 HB1 SER 11 5.658 11.951 6.829 77 HG SER 11 HG SER 11 4.793 14.300 7.785 78 H LEU 12 HN LEU 12 2.640 13.771 5.218 79 HA LEU 12 HA LEU 12 3.030 12.521 2.623 80 HB2 LEU 12 HB2 LEU 12 0.919 13.700 3.171 81 HB3 LEU 12 HB1 LEU 12 1.818 15.198 3.309 82 HG LEU 12 HG LEU 12 2.425 15.054 0.930 83 HD11 LEU 12 HD11 LEU 12 0.634 12.629 0.875 84 HD12 LEU 12 HD12 LEU 12 2.392 12.599 0.753 85 HD13 LEU 12 HD13 LEU 12 1.434 13.377 -0.508 86 HD21 LEU 12 HD21 LEU 12 0.386 16.239 1.647 87 HD22 LEU 12 HD22 LEU 12 -0.541 14.762 1.380 88 HD23 LEU 12 HD23 LEU 12 0.247 15.565 0.023 89 H VAL 13 HN VAL 13 4.801 12.808 1.475 90 HA VAL 13 HA VAL 13 6.759 14.794 2.210 91 HB VAL 13 HB VAL 13 6.779 12.875 -0.128 92 HG11 VAL 13 HG21 VAL 13 9.210 13.227 -0.090 93 HG12 VAL 13 HG22 VAL 13 9.004 14.435 1.178 94 HG13 VAL 13 HG23 VAL 13 8.330 14.717 -0.426 95 HG21 VAL 13 HG11 VAL 13 6.609 11.629 1.923 96 HG22 VAL 13 HG12 VAL 13 7.895 12.587 2.656 97 HG23 VAL 13 HG13 VAL 13 8.259 11.504 1.313 98 H ALA 14 HN ALA 14 7.659 16.363 0.710 99 HA ALA 14 HA ALA 14 5.727 17.968 -0.518 100 HB1 ALA 14 HB1 ALA 14 7.949 18.741 0.296 101 HB2 ALA 14 HB2 ALA 14 7.547 19.306 -1.326 102 HB3 ALA 14 HB3 ALA 14 8.683 17.972 -1.113 103 H GLU 15 HN GLU 15 5.586 18.573 -2.806 104 HA GLU 15 HA GLU 15 5.287 16.258 -4.449 105 HB2 GLU 15 HB2 GLU 15 4.501 17.823 -6.160 106 HB3 GLU 15 HB1 GLU 15 3.736 18.139 -4.608 107 HG2 GLU 15 HG1 GLU 15 5.180 20.026 -4.227 108 HG3 GLU 15 HG2 GLU 15 6.086 19.672 -5.697 109 H ALA 16 HN ALA 16 7.703 18.763 -4.139 110 HA ALA 16 HA ALA 16 9.031 18.012 -6.603 111 HB1 ALA 16 HB1 ALA 16 9.902 19.958 -4.473 112 HB2 ALA 16 HB2 ALA 16 8.940 20.363 -5.895 113 HB3 ALA 16 HB3 ALA 16 10.596 19.784 -6.085 114 H GLN 17 HN GLN 17 8.951 16.692 -3.563 115 HA GLN 17 HA GLN 17 11.704 15.669 -3.841 116 HB2 GLN 17 HB2 GLN 17 10.131 16.232 -1.327 117 HB3 GLN 17 HB1 GLN 17 11.640 15.329 -1.351 118 HG2 GLN 17 HG2 GLN 17 11.329 18.155 -2.333 119 HG3 GLN 17 HG1 GLN 17 11.901 17.705 -0.725 120 HE21 GLN 17 HE21 GLN 17 12.607 17.615 -4.143 121 HE22 GLN 17 HE22 GLN 17 14.305 17.344 -3.985 122 H ARG 18 HN ARG 18 8.377 14.914 -3.584 123 HA ARG 18 HA ARG 18 8.569 12.286 -2.558 124 HB2 ARG 18 HB1 ARG 18 6.296 11.989 -3.351 125 HB3 ARG 18 HB2 ARG 18 6.469 13.572 -2.607 126 HG2 ARG 18 HG2 ARG 18 6.689 14.569 -4.853 127 HG3 ARG 18 HG1 ARG 18 6.410 12.975 -5.556 128 HD2 ARG 18 HD1 ARG 18 4.495 14.467 -3.768 129 HD3 ARG 18 HD2 ARG 18 4.368 14.331 -5.521 130 HE ARG 18 HE ARG 18 4.332 11.916 -3.851 131 HH11 ARG 18 HH11 ARG 18 2.786 14.059 -6.123 132 HH12 ARG 18 HH12 ARG 18 1.480 12.971 -6.456 133 HH21 ARG 18 HH21 ARG 18 2.616 10.478 -4.284 134 HH22 ARG 18 HH22 ARG 18 1.383 10.936 -5.412 135 H LEU 19 HN LEU 19 9.038 13.618 -5.744 136 HA LEU 19 HA LEU 19 8.744 11.165 -7.166 137 HB2 LEU 19 HB2 LEU 19 9.461 12.320 -9.064 138 HB3 LEU 19 HB1 LEU 19 8.578 13.503 -8.123 139 HG LEU 19 HG LEU 19 11.589 13.275 -8.253 140 HD11 LEU 19 HD21 LEU 19 9.733 15.296 -9.502 141 HD12 LEU 19 HD22 LEU 19 10.608 14.030 -10.363 142 HD13 LEU 19 HD23 LEU 19 11.496 15.323 -9.558 143 HD21 LEU 19 HD11 LEU 19 9.792 15.293 -6.917 144 HD22 LEU 19 HD12 LEU 19 11.537 15.467 -7.115 145 HD23 LEU 19 HD13 LEU 19 10.888 14.160 -6.125 146 H ASP 20 HN ASP 20 11.296 12.534 -5.316 147 HA ASP 20 HA ASP 20 13.179 10.551 -6.414 148 HB2 ASP 20 HB2 ASP 20 13.807 13.012 -6.562 149 HB3 ASP 20 HB1 ASP 20 13.919 12.992 -4.804 150 H PHE 21 HN PHE 21 11.256 11.334 -3.787 151 HA PHE 21 HA PHE 21 12.899 10.333 -1.672 152 HB2 PHE 21 HB2 PHE 21 10.925 11.912 -1.415 153 HB3 PHE 21 HB1 PHE 21 9.889 10.512 -1.670 154 HD1 PHE 21 HD2 PHE 21 12.373 12.023 0.585 155 HD2 PHE 21 HD1 PHE 21 9.508 8.924 0.043 156 HE1 PHE 21 HE2 PHE 21 12.506 11.486 2.982 157 HE2 PHE 21 HE1 PHE 21 9.635 8.381 2.439 158 HZ PHE 21 HZ PHE 21 11.137 9.663 3.912 159 H LEU 22 HN LEU 22 10.270 8.998 -3.635 160 HA LEU 22 HA LEU 22 10.015 6.538 -2.362 161 HB2 LEU 22 HB2 LEU 22 8.734 7.696 -4.402 162 HB3 LEU 22 HB1 LEU 22 9.760 6.609 -5.321 163 HG LEU 22 HG LEU 22 7.542 5.642 -4.895 164 HD11 LEU 22 HD11 LEU 22 9.876 4.301 -3.554 165 HD12 LEU 22 HD12 LEU 22 9.292 4.074 -5.201 166 HD13 LEU 22 HD13 LEU 22 8.328 3.506 -3.839 167 HD21 LEU 22 HD21 LEU 22 8.328 5.896 -1.999 168 HD22 LEU 22 HD22 LEU 22 6.975 4.932 -2.588 169 HD23 LEU 22 HD23 LEU 22 6.973 6.681 -2.812 170 HA PRO 23 HA PRO 23 13.367 4.756 -5.353 171 HB2 PRO 23 HB2 PRO 23 15.004 6.524 -6.606 172 HB3 PRO 23 HB1 PRO 23 13.499 5.939 -7.323 173 HG2 PRO 23 HG2 PRO 23 14.041 8.510 -5.885 174 HG3 PRO 23 HG1 PRO 23 13.115 8.235 -7.373 175 HD2 PRO 23 HD2 PRO 23 11.929 8.577 -4.967 176 HD3 PRO 23 HD1 PRO 23 11.243 7.532 -6.226 177 H THR 24 HN THR 24 13.844 7.571 -3.409 178 HA THR 24 HA THR 24 16.586 7.082 -2.767 179 HB THR 24 HB THR 24 14.481 8.940 -1.723 180 HG1 THR 24 HG1 THR 24 15.932 10.460 -2.509 181 HG21 THR 24 HG21 THR 24 16.034 9.829 -0.073 182 HG22 THR 24 HG22 THR 24 17.206 8.575 -0.475 183 HG23 THR 24 HG23 THR 24 15.670 8.138 0.272 184 H TYR 25 HN TYR 25 13.495 6.245 -1.290 185 HA TYR 25 HA TYR 25 14.920 4.957 0.933 186 HB2 TYR 25 HB1 TYR 25 12.886 6.583 1.196 187 HB3 TYR 25 HB2 TYR 25 11.937 5.160 0.780 188 HD1 TYR 25 HD2 TYR 25 12.243 3.065 2.218 189 HD2 TYR 25 HD1 TYR 25 13.646 6.907 3.388 190 HE1 TYR 25 HE2 TYR 25 12.352 2.307 4.555 191 HE2 TYR 25 HE1 TYR 25 13.761 6.159 5.728 192 HH TYR 25 HH TYR 25 13.540 2.899 6.628 193 H PHE 26 HN PHE 26 13.199 4.262 -1.951 194 HA PHE 26 HA PHE 26 12.886 1.443 -1.169 195 HB2 PHE 26 HB2 PHE 26 10.960 2.995 -2.141 196 HB3 PHE 26 HB1 PHE 26 11.692 2.544 -3.674 197 HD1 PHE 26 HD1 PHE 26 11.751 0.175 -0.902 198 HD2 PHE 26 HD2 PHE 26 9.647 1.443 -4.379 199 HE1 PHE 26 HE1 PHE 26 10.484 -1.934 -0.901 200 HE2 PHE 26 HE2 PHE 26 8.378 -0.664 -4.383 201 HZ PHE 26 HZ PHE 26 8.796 -2.355 -2.643 202 H GLY 27 HN GLY 27 14.103 3.599 -3.673 203 HA2 GLY 27 HA2 GLY 27 16.396 2.791 -4.444 204 HA3 GLY 27 HA1 GLY 27 15.532 1.328 -4.899 205 HA PRO 28 HA PRO 28 15.258 5.032 -8.071 206 HB2 PRO 28 HB2 PRO 28 17.403 4.367 -9.671 207 HB3 PRO 28 HB1 PRO 28 17.432 5.629 -8.434 208 HG2 PRO 28 HG1 PRO 28 18.407 2.804 -8.289 209 HG3 PRO 28 HG2 PRO 28 19.152 4.282 -7.651 210 HD2 PRO 28 HD2 PRO 28 17.822 2.580 -6.057 211 HD3 PRO 28 HD1 PRO 28 17.756 4.336 -5.799 212 H ARG 29 HN ARG 29 15.676 1.642 -7.974 213 HA ARG 29 HA ARG 29 14.547 1.349 -10.662 214 HB2 ARG 29 HB1 ARG 29 16.433 -0.185 -9.129 215 HB3 ARG 29 HB2 ARG 29 15.060 -1.196 -9.560 216 HG2 ARG 29 HG2 ARG 29 16.832 0.358 -11.434 217 HG3 ARG 29 HG1 ARG 29 16.735 -1.398 -11.257 218 HD2 ARG 29 HD1 ARG 29 14.394 0.303 -12.083 219 HD3 ARG 29 HD2 ARG 29 15.517 -0.409 -13.241 220 HE ARG 29 HE ARG 29 13.531 -1.807 -11.638 221 HH11 ARG 29 HH11 ARG 29 16.272 -2.005 -13.781 222 HH12 ARG 29 HH12 ARG 29 15.950 -3.640 -14.253 223 HH21 ARG 29 HH21 ARG 29 13.098 -3.961 -12.256 224 HH22 ARG 29 HH22 ARG 29 14.147 -4.752 -13.385 225 H LEU 30 HN LEU 30 14.012 0.277 -7.289 226 HA LEU 30 HA LEU 30 11.685 -1.164 -7.748 227 HB2 LEU 30 HB1 LEU 30 12.802 0.274 -5.368 228 HB3 LEU 30 HB2 LEU 30 11.228 -0.493 -5.284 229 HG LEU 30 HG LEU 30 12.281 -2.659 -5.864 230 HD11 LEU 30 HD11 LEU 30 14.192 -1.890 -7.120 231 HD12 LEU 30 HD12 LEU 30 14.740 -2.844 -5.741 232 HD13 LEU 30 HD13 LEU 30 14.845 -1.084 -5.692 233 HD21 LEU 30 HD21 LEU 30 13.411 -3.000 -3.717 234 HD22 LEU 30 HD22 LEU 30 11.917 -2.080 -3.534 235 HD23 LEU 30 HD23 LEU 30 13.475 -1.253 -3.480 236 H MET 31 HN MET 31 12.200 2.288 -7.336 237 HA MET 31 HA MET 31 9.863 3.365 -6.719 238 HB2 MET 31 HB2 MET 31 10.293 5.084 -8.583 239 HB3 MET 31 HB1 MET 31 11.540 4.858 -7.363 240 HG2 MET 31 HG2 MET 31 13.026 4.217 -8.873 241 HG3 MET 31 HG1 MET 31 11.908 3.064 -9.594 242 HE1 MET 31 HE1 MET 31 13.325 6.709 -9.648 243 HE2 MET 31 HE2 MET 31 11.644 6.977 -9.184 244 HE3 MET 31 HE3 MET 31 12.221 7.519 -10.760 245 H MET 32 HN MET 32 10.432 1.675 -9.745 246 HA MET 32 HA MET 32 7.682 2.224 -10.587 247 HB2 MET 32 HB2 MET 32 8.346 1.369 -12.766 248 HB3 MET 32 HB1 MET 32 9.472 2.610 -12.238 249 HG2 MET 32 HG2 MET 32 10.987 0.778 -11.461 250 HG3 MET 32 HG1 MET 32 9.896 -0.363 -12.244 251 HE1 MET 32 HE1 MET 32 10.145 0.783 -15.998 252 HE2 MET 32 HE2 MET 32 9.065 1.557 -14.838 253 HE3 MET 32 HE3 MET 32 9.266 -0.197 -14.824 254 H ARG 33 HN ARG 33 9.857 -0.355 -9.654 255 HA ARG 33 HA ARG 33 8.165 -2.523 -10.317 256 HB2 ARG 33 HB2 ARG 33 10.344 -2.385 -8.226 257 HB3 ARG 33 HB1 ARG 33 9.641 -3.855 -8.886 258 HG2 ARG 33 HG2 ARG 33 10.529 -3.328 -11.078 259 HG3 ARG 33 HG1 ARG 33 11.176 -1.804 -10.469 260 HD2 ARG 33 HD1 ARG 33 12.939 -3.455 -10.584 261 HD3 ARG 33 HD2 ARG 33 12.597 -3.059 -8.900 262 HE ARG 33 HE ARG 33 11.080 -5.303 -9.651 263 HH11 ARG 33 HH11 ARG 33 14.377 -4.370 -9.021 264 HH12 ARG 33 HH12 ARG 33 14.865 -5.954 -8.516 265 HH21 ARG 33 HH21 ARG 33 11.713 -7.392 -8.987 266 HH22 ARG 33 HH22 ARG 33 13.351 -7.670 -8.497 267 H GLY 34 HN GLY 34 8.049 -0.217 -7.791 268 HA2 GLY 34 HA2 GLY 34 6.305 -1.976 -6.189 269 HA3 GLY 34 HA1 GLY 34 7.175 -0.585 -5.559 270 H GLU 35 HN GLU 35 6.536 1.275 -7.582 271 HA GLU 35 HA GLU 35 4.095 2.274 -6.640 272 HB2 GLU 35 HB1 GLU 35 5.746 3.731 -7.656 273 HB3 GLU 35 HB2 GLU 35 5.593 2.889 -9.193 274 HG2 GLU 35 HG2 GLU 35 3.193 3.624 -9.237 275 HG3 GLU 35 HG1 GLU 35 3.561 4.644 -7.846 276 H ALA 36 HN ALA 36 4.892 0.453 -9.559 277 HA ALA 36 HA ALA 36 2.225 0.507 -10.592 278 HB1 ALA 36 HB1 ALA 36 4.133 0.289 -12.080 279 HB2 ALA 36 HB2 ALA 36 3.062 -1.103 -12.241 280 HB3 ALA 36 HB3 ALA 36 4.564 -1.247 -11.328 281 H LEU 37 HN LEU 37 3.939 -1.515 -8.359 282 HA LEU 37 HA LEU 37 2.204 -3.783 -8.631 283 HB2 LEU 37 HB2 LEU 37 4.656 -3.215 -7.364 284 HB3 LEU 37 HB1 LEU 37 3.552 -3.725 -6.103 285 HG LEU 37 HG LEU 37 3.045 -5.727 -7.675 286 HD11 LEU 37 HD21 LEU 37 4.247 -4.744 -9.603 287 HD12 LEU 37 HD22 LEU 37 4.829 -6.347 -9.156 288 HD13 LEU 37 HD23 LEU 37 5.755 -4.915 -8.706 289 HD21 LEU 37 HD11 LEU 37 4.186 -5.884 -5.519 290 HD22 LEU 37 HD12 LEU 37 5.714 -5.473 -6.298 291 HD23 LEU 37 HD13 LEU 37 4.892 -6.978 -6.708 292 H VAL 38 HN VAL 38 2.305 -0.962 -6.543 293 HA VAL 38 HA VAL 38 0.414 -1.985 -4.645 294 HB VAL 38 HB VAL 38 0.357 0.188 -3.672 295 HG11 VAL 38 HG21 VAL 38 2.371 -0.952 -3.176 296 HG12 VAL 38 HG22 VAL 38 2.807 0.724 -3.514 297 HG13 VAL 38 HG23 VAL 38 3.075 -0.523 -4.734 298 HG21 VAL 38 HG11 VAL 38 1.712 1.223 -6.156 299 HG22 VAL 38 HG12 VAL 38 1.312 2.160 -4.717 300 HG23 VAL 38 HG13 VAL 38 0.024 1.488 -5.717 301 H TYR 39 HN TYR 39 0.235 0.061 -7.505 302 HA TYR 39 HA TYR 39 -2.597 0.486 -7.248 303 HB2 TYR 39 HB2 TYR 39 -2.217 2.126 -8.729 304 HB3 TYR 39 HB1 TYR 39 -0.511 1.698 -8.654 305 HD1 TYR 39 HD1 TYR 39 0.489 0.268 -10.384 306 HD2 TYR 39 HD2 TYR 39 -3.542 1.596 -10.657 307 HE1 TYR 39 HE1 TYR 39 0.463 -0.321 -12.773 308 HE2 TYR 39 HE2 TYR 39 -3.582 1.011 -13.044 309 HH TYR 39 HH TYR 39 -1.209 -0.897 -14.509 310 H ALA 40 HN ALA 40 -0.543 -1.895 -8.656 311 HA ALA 40 HA ALA 40 -2.215 -2.901 -10.677 312 HB1 ALA 40 HB1 ALA 40 -0.880 -4.939 -10.532 313 HB2 ALA 40 HB2 ALA 40 -0.199 -4.392 -8.999 314 HB3 ALA 40 HB3 ALA 40 0.146 -3.505 -10.484 315 H TRP 41 HN TRP 41 -1.991 -3.645 -7.230 316 HA TRP 41 HA TRP 41 -3.990 -5.711 -7.357 317 HB2 TRP 41 HB2 TRP 41 -2.627 -4.302 -5.059 318 HB3 TRP 41 HB1 TRP 41 -3.867 -5.529 -4.821 319 HD1 TRP 41 HD1 TRP 41 -0.205 -5.115 -5.634 320 HE1 TRP 41 HE1 TRP 41 0.904 -7.432 -5.767 321 HE3 TRP 41 HE3 TRP 41 -4.403 -8.031 -5.522 322 HZ2 TRP 41 HZ2 TRP 41 0.105 -10.139 -5.821 323 HZ3 TRP 41 HZ3 TRP 41 -4.143 -10.476 -5.618 324 HH2 TRP 41 HH2 TRP 41 -1.934 -11.506 -5.765 325 H MET 42 HN MET 42 -3.901 -2.290 -6.819 326 HA MET 42 HA MET 42 -6.384 -1.996 -5.515 327 HB2 MET 42 HB1 MET 42 -4.435 -0.337 -5.717 328 HB3 MET 42 HB2 MET 42 -5.125 0.085 -7.279 329 HG2 MET 42 HG2 MET 42 -5.802 1.587 -5.439 330 HG3 MET 42 HG1 MET 42 -7.153 0.814 -6.266 331 HE1 MET 42 HE1 MET 42 -7.181 2.221 -3.222 332 HE2 MET 42 HE2 MET 42 -8.406 1.127 -2.577 333 HE3 MET 42 HE3 MET 42 -8.539 1.724 -4.231 334 H ARG 43 HN ARG 43 -5.468 -1.744 -8.947 335 HA ARG 43 HA ARG 43 -8.043 -1.007 -9.854 336 HB2 ARG 43 HB2 ARG 43 -7.179 -1.637 -12.099 337 HB3 ARG 43 HB1 ARG 43 -6.136 -0.525 -11.225 338 HG2 ARG 43 HG2 ARG 43 -4.650 -2.347 -10.631 339 HG3 ARG 43 HG1 ARG 43 -5.714 -3.498 -11.444 340 HD2 ARG 43 HD1 ARG 43 -4.268 -1.199 -12.750 341 HD3 ARG 43 HD2 ARG 43 -3.800 -2.896 -12.844 342 HE ARG 43 HE ARG 43 -6.480 -2.299 -13.755 343 HH11 ARG 43 HH11 ARG 43 -3.130 -2.700 -14.624 344 HH12 ARG 43 HH12 ARG 43 -3.468 -3.017 -16.293 345 HH21 ARG 43 HH21 ARG 43 -6.934 -2.715 -15.949 346 HH22 ARG 43 HH22 ARG 43 -5.631 -3.025 -17.046 347 H ARG 44 HN ARG 44 -6.686 -4.006 -8.913 348 HA ARG 44 HA ARG 44 -8.444 -5.674 -10.446 349 HB2 ARG 44 HB2 ARG 44 -6.619 -6.189 -8.098 350 HB3 ARG 44 HB1 ARG 44 -7.626 -7.449 -8.803 351 HG2 ARG 44 HG1 ARG 44 -6.505 -7.183 -10.939 352 HG3 ARG 44 HG2 ARG 44 -5.532 -5.865 -10.281 353 HD2 ARG 44 HD2 ARG 44 -4.523 -7.397 -8.676 354 HD3 ARG 44 HD1 ARG 44 -5.517 -8.716 -9.294 355 HE ARG 44 HE ARG 44 -4.154 -7.759 -11.473 356 HH11 ARG 44 HH11 ARG 44 -3.286 -9.066 -8.362 357 HH12 ARG 44 HH12 ARG 44 -1.795 -9.746 -8.921 358 HH21 ARG 44 HH21 ARG 44 -2.194 -8.651 -12.217 359 HH22 ARG 44 HH22 ARG 44 -1.172 -9.509 -11.111 360 H LEU 45 HN LEU 45 -8.232 -4.825 -7.009 361 HA LEU 45 HA LEU 45 -10.447 -6.056 -6.013 362 HB2 LEU 45 HB2 LEU 45 -9.662 -3.257 -5.253 363 HB3 LEU 45 HB1 LEU 45 -10.475 -4.443 -4.262 364 HG LEU 45 HG LEU 45 -7.638 -4.715 -5.251 365 HD11 LEU 45 HD11 LEU 45 -7.005 -4.240 -2.925 366 HD12 LEU 45 HD12 LEU 45 -8.692 -3.878 -2.555 367 HD13 LEU 45 HD13 LEU 45 -7.803 -2.868 -3.696 368 HD21 LEU 45 HD21 LEU 45 -7.505 -6.527 -3.619 369 HD22 LEU 45 HD22 LEU 45 -8.734 -6.849 -4.842 370 HD23 LEU 45 HD23 LEU 45 -9.212 -6.307 -3.234 371 H CYS 46 HN CYS 46 -10.455 -3.435 -8.260 372 HA CYS 46 HA CYS 46 -13.374 -3.350 -8.096 373 HB2 CYS 46 HB2 CYS 46 -12.574 -1.374 -6.878 374 HB3 CYS 46 HB1 CYS 46 -11.617 -0.895 -8.277 375 HG CYS 46 HG CYS 46 -14.728 -0.176 -7.578 376 H GLU 47 HN GLU 47 -14.182 -3.838 -10.024 377 HA GLU 47 HA GLU 47 -12.611 -4.015 -12.365 378 HB2 GLU 47 HB2 GLU 47 -14.743 -4.485 -13.514 379 HB3 GLU 47 HB1 GLU 47 -14.560 -5.436 -12.047 380 HG2 GLU 47 HG2 GLU 47 -16.014 -3.847 -10.861 381 HG3 GLU 47 HG1 GLU 47 -16.236 -2.957 -12.368 382 H ARG 48 HN ARG 48 -14.493 -1.501 -10.944 383 HA ARG 48 HA ARG 48 -14.278 0.145 -13.366 384 HB2 ARG 48 HB2 ARG 48 -15.881 0.606 -10.840 385 HB3 ARG 48 HB1 ARG 48 -15.885 1.649 -12.255 386 HG2 ARG 48 HG2 ARG 48 -16.784 -1.225 -12.230 387 HG3 ARG 48 HG1 ARG 48 -17.853 0.176 -12.131 388 HD2 ARG 48 HD2 ARG 48 -17.024 0.941 -14.316 389 HD3 ARG 48 HD1 ARG 48 -16.001 -0.493 -14.417 390 HE ARG 48 HE ARG 48 -18.735 -1.174 -14.004 391 HH11 ARG 48 HH11 ARG 48 -16.443 -0.166 -16.428 392 HH12 ARG 48 HH12 ARG 48 -17.320 -0.883 -17.738 393 HH21 ARG 48 HH21 ARG 48 -19.896 -2.119 -15.723 394 HH22 ARG 48 HH22 ARG 48 -19.281 -1.994 -17.338 395 H TYR 49 HN TYR 49 -11.897 -0.302 -12.142 396 HA TYR 49 HA TYR 49 -11.360 2.187 -10.670 397 HB2 TYR 49 HB2 TYR 49 -10.970 -0.227 -9.634 398 HB3 TYR 49 HB1 TYR 49 -9.468 -0.114 -10.550 399 HD1 TYR 49 HD2 TYR 49 -8.390 2.410 -10.265 400 HD2 TYR 49 HD1 TYR 49 -10.758 0.312 -7.430 401 HE1 TYR 49 HE2 TYR 49 -7.396 3.750 -8.456 402 HE2 TYR 49 HE1 TYR 49 -9.775 1.637 -5.611 403 HH TYR 49 HH TYR 49 -7.674 2.945 -5.207 404 H ASN 50 HN ASN 50 -10.787 3.525 -12.335 405 HA ASN 50 HA ASN 50 -9.059 2.681 -14.457 406 HB2 ASN 50 HB2 ASN 50 -9.899 5.473 -13.647 407 HB3 ASN 50 HB1 ASN 50 -9.138 5.025 -15.171 408 HD21 ASN 50 HD21 ASN 50 -10.647 2.526 -15.357 409 HD22 ASN 50 HD22 ASN 50 -12.247 2.974 -15.826 410 H GLY 51 HN GLY 51 -8.671 4.968 -11.744 411 HA2 GLY 51 HA2 GLY 51 -6.127 4.157 -10.985 412 HA3 GLY 51 HA1 GLY 51 -5.901 5.403 -12.204 413 H ALA 52 HN ALA 52 -4.812 6.176 -10.031 414 HA ALA 52 HA ALA 52 -6.342 8.390 -9.135 415 HB1 ALA 52 HB1 ALA 52 -5.868 6.241 -7.076 416 HB2 ALA 52 HB2 ALA 52 -7.428 6.632 -7.800 417 HB3 ALA 52 HB3 ALA 52 -6.599 7.822 -6.798 418 H TYR 53 HN TYR 53 -5.175 9.544 -7.269 419 HA TYR 53 HA TYR 53 -2.348 9.565 -7.923 420 HB2 TYR 53 HB2 TYR 53 -4.188 11.435 -6.469 421 HB3 TYR 53 HB1 TYR 53 -2.445 11.601 -6.307 422 HD1 TYR 53 HD2 TYR 53 -1.303 11.239 -8.834 423 HD2 TYR 53 HD1 TYR 53 -5.073 12.986 -7.923 424 HE1 TYR 53 HE2 TYR 53 -1.218 12.508 -10.942 425 HE2 TYR 53 HE1 TYR 53 -5.001 14.257 -10.028 426 HH TYR 53 HH TYR 53 -2.790 13.588 -12.505 427 H TRP 54 HN TRP 54 -1.503 7.782 -6.917 428 HA TRP 54 HA TRP 54 -1.965 7.140 -4.190 429 HB2 TRP 54 HB2 TRP 54 0.519 6.205 -5.532 430 HB3 TRP 54 HB1 TRP 54 -0.644 5.305 -4.563 431 HD1 TRP 54 HD1 TRP 54 -3.139 4.935 -5.936 432 HE1 TRP 54 HE1 TRP 54 -3.451 4.209 -8.383 433 HE3 TRP 54 HE3 TRP 54 1.476 6.185 -7.750 434 HZ2 TRP 54 HZ2 TRP 54 -1.945 4.173 -10.769 435 HZ3 TRP 54 HZ3 TRP 54 1.958 5.774 -10.128 436 HH2 TRP 54 HH2 TRP 54 0.283 4.788 -11.604 437 H HIS 55 HN HIS 55 -1.569 9.280 -3.302 438 HA HIS 55 HA HIS 55 0.745 10.722 -3.284 439 HB2 HIS 55 HB2 HIS 55 -1.103 10.212 -0.945 440 HB3 HIS 55 HB1 HIS 55 0.115 11.484 -1.001 441 HD1 HIS 55 HD1 HIS 55 -0.404 13.562 -2.407 442 HD2 HIS 55 HD2 HIS 55 -3.377 10.664 -2.531 443 HE1 HIS 55 HE1 HIS 55 -2.389 14.683 -3.469 444 HE2 HIS 55 HE2 HIS 55 -4.149 12.887 -3.606 445 H TYR 56 HN TYR 56 2.707 10.624 -2.360 446 HA TYR 56 HA TYR 56 3.536 8.082 -1.276 447 HB2 TYR 56 HB1 TYR 56 5.037 10.629 -1.895 448 HB3 TYR 56 HB2 TYR 56 5.804 9.212 -1.187 449 HD1 TYR 56 HD1 TYR 56 4.075 7.207 -2.838 450 HD2 TYR 56 HD2 TYR 56 6.398 10.613 -3.882 451 HE1 TYR 56 HE1 TYR 56 4.432 6.268 -5.082 452 HE2 TYR 56 HE2 TYR 56 6.759 9.686 -6.130 453 HH TYR 56 HH TYR 56 6.752 7.458 -7.223 454 H TYR 57 HN TYR 57 3.742 7.577 0.779 455 HA TYR 57 HA TYR 57 3.706 9.747 2.774 456 HB2 TYR 57 HB2 TYR 57 2.216 7.144 2.733 457 HB3 TYR 57 HB1 TYR 57 2.614 7.911 4.267 458 HD1 TYR 57 HD2 TYR 57 1.669 10.122 4.827 459 HD2 TYR 57 HD1 TYR 57 0.500 8.029 1.313 460 HE1 TYR 57 HE2 TYR 57 -0.299 11.578 4.624 461 HE2 TYR 57 HE1 TYR 57 -1.472 9.482 1.098 462 HH TYR 57 HH TYR 57 -2.880 10.901 2.527 463 H ALA 58 HN ALA 58 5.070 9.601 4.501 464 HA ALA 58 HA ALA 58 7.020 7.393 4.421 465 HB1 ALA 58 HB1 ALA 58 8.662 8.983 5.339 466 HB2 ALA 58 HB2 ALA 58 7.452 10.263 5.242 467 HB3 ALA 58 HB3 ALA 58 8.040 9.493 3.769 468 H LEU 59 HN LEU 59 6.722 6.042 6.051 469 HA LEU 59 HA LEU 59 5.475 6.941 8.515 470 HB2 LEU 59 HB2 LEU 59 6.116 4.298 7.291 471 HB3 LEU 59 HB1 LEU 59 5.861 4.383 9.026 472 HG LEU 59 HG LEU 59 3.840 5.526 7.127 473 HD11 LEU 59 HD21 LEU 59 4.059 2.649 7.992 474 HD12 LEU 59 HD22 LEU 59 4.165 3.273 6.345 475 HD13 LEU 59 HD23 LEU 59 2.642 3.369 7.228 476 HD21 LEU 59 HD11 LEU 59 3.632 4.372 9.904 477 HD22 LEU 59 HD12 LEU 59 2.308 5.068 8.969 478 HD23 LEU 59 HD13 LEU 59 3.647 6.088 9.493 479 H SER 60 HN SER 60 6.386 6.686 10.578 480 HA SER 60 HA SER 60 9.111 7.400 10.767 481 HB2 SER 60 HB2 SER 60 7.217 6.433 12.920 482 HB3 SER 60 HB1 SER 60 8.776 7.207 13.207 483 HG SER 60 HG SER 60 7.134 8.618 11.527 484 H ASP 61 HN ASP 61 7.493 4.324 10.825 485 HA ASP 61 HA ASP 61 9.795 2.955 11.947 486 HB2 ASP 61 HB2 ASP 61 7.053 2.084 11.083 487 HB3 ASP 61 HB1 ASP 61 8.319 0.896 11.382 488 H GLY 62 HN GLY 62 9.315 4.276 9.071 489 HA2 GLY 62 HA1 GLY 62 10.523 4.008 7.113 490 HA3 GLY 62 HA2 GLY 62 11.208 2.534 7.779 491 H GLY 63 HN GLY 63 7.903 2.384 8.090 492 HA2 GLY 63 HA2 GLY 63 7.730 0.527 5.850 493 HA3 GLY 63 HA1 GLY 63 6.544 0.727 7.130 494 H PHE 64 HN PHE 64 7.921 3.317 5.201 495 HA PHE 64 HA PHE 64 5.778 4.823 4.693 496 HB2 PHE 64 HB2 PHE 64 6.835 5.626 2.681 497 HB3 PHE 64 HB1 PHE 64 8.091 5.252 3.857 498 HD1 PHE 64 HD1 PHE 64 9.457 3.202 3.591 499 HD2 PHE 64 HD2 PHE 64 6.710 4.494 0.609 500 HE1 PHE 64 HE1 PHE 64 10.571 1.755 1.941 501 HE2 PHE 64 HE2 PHE 64 7.817 3.049 -1.045 502 HZ PHE 64 HZ PHE 64 9.751 1.677 -0.379 503 H TYR 65 HN TYR 65 4.040 4.944 3.300 504 HA TYR 65 HA TYR 65 3.568 2.654 1.530 505 HB2 TYR 65 HB2 TYR 65 1.485 2.117 2.418 506 HB3 TYR 65 HB1 TYR 65 2.445 2.447 3.855 507 HD1 TYR 65 HD1 TYR 65 2.184 4.693 5.003 508 HD2 TYR 65 HD2 TYR 65 -0.457 3.350 1.945 509 HE1 TYR 65 HE1 TYR 65 0.514 6.345 5.726 510 HE2 TYR 65 HE2 TYR 65 -2.131 5.003 2.659 511 HH TYR 65 HH TYR 65 -2.711 6.282 4.678 512 H MET 66 HN MET 66 1.507 3.038 0.204 513 HA MET 66 HA MET 66 1.362 5.868 -0.639 514 HB2 MET 66 HB1 MET 66 1.315 3.372 -2.349 515 HB3 MET 66 HB2 MET 66 0.974 4.990 -2.945 516 HG2 MET 66 HG2 MET 66 3.184 5.694 -2.625 517 HG3 MET 66 HG1 MET 66 3.562 4.315 -1.596 518 HE1 MET 66 HE1 MET 66 2.668 3.745 -6.089 519 HE2 MET 66 HE2 MET 66 2.618 5.345 -5.347 520 HE3 MET 66 HE3 MET 66 1.463 4.107 -4.852 521 H ALA 67 HN ALA 67 -0.643 6.677 -1.178 522 HA ALA 67 HA ALA 67 -2.937 4.859 -1.023 523 HB1 ALA 67 HB1 ALA 67 -2.878 7.460 0.492 524 HB2 ALA 67 HB2 ALA 67 -2.533 5.892 1.223 525 HB3 ALA 67 HB3 ALA 67 -4.124 6.210 0.532 526 HA PRO 68 HA PRO 68 -4.007 7.188 -4.661 527 HB2 PRO 68 HB2 PRO 68 -6.579 6.269 -4.879 528 HB3 PRO 68 HB1 PRO 68 -5.162 5.367 -5.425 529 HG2 PRO 68 HG1 PRO 68 -6.736 5.082 -2.903 530 HG3 PRO 68 HG2 PRO 68 -6.041 3.824 -3.940 531 HD2 PRO 68 HD2 PRO 68 -4.883 4.595 -1.625 532 HD3 PRO 68 HD1 PRO 68 -3.936 4.058 -3.025 533 H ASP 69 HN ASP 69 -5.651 8.781 -5.326 534 HA ASP 69 HA ASP 69 -6.891 10.098 -3.000 535 HB2 ASP 69 HB2 ASP 69 -4.834 11.226 -3.991 536 HB3 ASP 69 HB1 ASP 69 -5.818 11.541 -5.419 537 H LEU 70 HN LEU 70 -8.818 8.829 -3.622 538 HA LEU 70 HA LEU 70 -10.219 10.068 -5.883 539 HB2 LEU 70 HB1 LEU 70 -10.511 7.306 -4.710 540 HB3 LEU 70 HB2 LEU 70 -11.597 7.981 -5.910 541 HG LEU 70 HG LEU 70 -8.638 7.661 -6.389 542 HD11 LEU 70 HD11 LEU 70 -10.870 5.774 -7.123 543 HD12 LEU 70 HD12 LEU 70 -9.613 5.473 -5.922 544 HD13 LEU 70 HD13 LEU 70 -9.185 5.636 -7.625 545 HD21 LEU 70 HD21 LEU 70 -9.850 9.272 -7.802 546 HD22 LEU 70 HD22 LEU 70 -10.960 7.987 -8.279 547 HD23 LEU 70 HD23 LEU 70 -9.254 7.884 -8.712 548 H ALA 71 HN ALA 71 -12.672 9.606 -5.562 549 HA ALA 71 HA ALA 71 -13.680 11.343 -3.686 550 HB1 ALA 71 HB1 ALA 71 -14.918 10.629 -5.653 551 HB2 ALA 71 HB2 ALA 71 -15.882 10.420 -4.192 552 HB3 ALA 71 HB3 ALA 71 -15.122 9.023 -4.955 553 H GLY 72 HN GLY 72 -15.780 10.233 -2.384 554 HA2 GLY 72 HA2 GLY 72 -14.407 8.856 -0.178 555 HA3 GLY 72 HA1 GLY 72 -15.903 9.765 -0.037 556 H ARG 73 HN ARG 73 -14.986 6.915 0.578 557 HA ARG 73 HA ARG 73 -15.834 4.805 0.559 558 HB2 ARG 73 HB1 ARG 73 -18.381 6.328 -0.013 559 HB3 ARG 73 HB2 ARG 73 -18.312 4.637 0.464 560 HG2 ARG 73 HG1 ARG 73 -17.352 6.971 2.109 561 HG3 ARG 73 HG2 ARG 73 -18.854 6.075 2.351 562 HD2 ARG 73 HD1 ARG 73 -17.597 4.050 2.818 563 HD3 ARG 73 HD2 ARG 73 -16.083 4.896 2.506 564 HE ARG 73 HE ARG 73 -17.108 6.376 4.471 565 HH11 ARG 73 HH11 ARG 73 -16.826 2.919 4.132 566 HH12 ARG 73 HH12 ARG 73 -16.677 2.635 5.833 567 HH21 ARG 73 HH21 ARG 73 -16.911 6.010 6.714 568 HH22 ARG 73 HH22 ARG 73 -16.727 4.392 7.301 569 H LEU 74 HN LEU 74 -14.912 3.755 -1.113 570 HA LEU 74 HA LEU 74 -16.347 3.816 -3.686 571 HB2 LEU 74 HB1 LEU 74 -13.423 3.176 -3.379 572 HB3 LEU 74 HB2 LEU 74 -14.304 3.521 -4.856 573 HG LEU 74 HG LEU 74 -13.675 5.513 -2.673 574 HD11 LEU 74 HD21 LEU 74 -12.559 5.166 -5.450 575 HD12 LEU 74 HD22 LEU 74 -11.703 4.906 -3.931 576 HD13 LEU 74 HD23 LEU 74 -12.226 6.529 -4.381 577 HD21 LEU 74 HD11 LEU 74 -15.080 5.858 -5.318 578 HD22 LEU 74 HD12 LEU 74 -14.549 7.174 -4.270 579 HD23 LEU 74 HD13 LEU 74 -15.787 6.049 -3.714 580 H GLU 75 HN GLU 75 -17.090 1.923 -4.428 581 HA GLU 75 HA GLU 75 -17.094 -0.376 -2.841 582 HB2 GLU 75 HB2 GLU 75 -18.783 0.256 -4.591 583 HB3 GLU 75 HB1 GLU 75 -17.618 -0.239 -5.811 584 HG2 GLU 75 HG1 GLU 75 -17.599 -2.491 -4.816 585 HG3 GLU 75 HG2 GLU 75 -18.859 -1.974 -3.700 586 H ILE 76 HN ILE 76 -15.127 -1.209 -2.327 587 HA ILE 76 HA ILE 76 -13.492 -2.195 -4.570 588 HB ILE 76 HB ILE 76 -12.675 -0.832 -2.055 589 HG12 ILE 76 HG12 ILE 76 -12.619 0.080 -4.471 590 HG13 ILE 76 HG11 ILE 76 -11.200 0.332 -3.461 591 HG21 ILE 76 HG21 ILE 76 -11.638 -2.913 -1.614 592 HG22 ILE 76 HG22 ILE 76 -10.382 -1.870 -2.283 593 HG23 ILE 76 HG23 ILE 76 -11.140 -3.102 -3.295 594 HD11 ILE 76 HD11 ILE 76 -11.502 -1.853 -5.509 595 HD12 ILE 76 HD12 ILE 76 -10.060 -1.490 -4.557 596 HD13 ILE 76 HD13 ILE 76 -10.642 -0.331 -5.754 597 H GLU 77 HN GLU 77 -13.968 -4.279 -4.731 598 HA GLU 77 HA GLU 77 -14.386 -5.890 -2.347 599 HB2 GLU 77 HB1 GLU 77 -14.987 -7.688 -3.921 600 HB3 GLU 77 HB2 GLU 77 -15.919 -6.226 -4.207 601 HG2 GLU 77 HG2 GLU 77 -14.437 -5.661 -6.075 602 HG3 GLU 77 HG1 GLU 77 -13.541 -7.154 -5.799 603 H VAL 78 HN VAL 78 -12.999 -7.347 -1.553 604 HA VAL 78 HA VAL 78 -10.371 -7.502 -2.869 605 HB VAL 78 HB VAL 78 -9.730 -8.460 -0.511 606 HG11 VAL 78 HG21 VAL 78 -9.143 -6.185 0.219 607 HG12 VAL 78 HG22 VAL 78 -10.226 -5.524 -1.004 608 HG13 VAL 78 HG23 VAL 78 -8.796 -6.434 -1.493 609 HG21 VAL 78 HG11 VAL 78 -12.229 -6.902 0.072 610 HG22 VAL 78 HG12 VAL 78 -11.007 -7.284 1.283 611 HG23 VAL 78 HG13 VAL 78 -11.879 -8.582 0.470 612 H ASN 79 HN ASN 79 -10.392 -9.270 -4.166 613 HA ASN 79 HA ASN 79 -11.812 -11.638 -3.675 614 HB2 ASN 79 HB1 ASN 79 -9.204 -11.538 -5.190 615 HB3 ASN 79 HB2 ASN 79 -10.601 -12.570 -5.485 616 HD21 ASN 79 HD21 ASN 79 -9.352 -9.313 -5.713 617 HD22 ASN 79 HD22 ASN 79 -10.460 -8.766 -6.921 618 H GLY 80 HN GLY 80 -8.647 -10.543 -2.695 619 HA2 GLY 80 HA2 GLY 80 -7.321 -12.742 -1.866 620 HA3 GLY 80 HA1 GLY 80 -7.315 -11.247 -0.948 621 H ASN 81 HN ASN 81 -10.095 -11.326 -0.184 622 HA ASN 81 HA ASN 81 -10.315 -13.801 1.343 623 HB2 ASN 81 HB2 ASN 81 -10.491 -12.753 3.463 624 HB3 ASN 81 HB1 ASN 81 -9.038 -12.101 2.715 625 HD21 ASN 81 HD21 ASN 81 -9.011 -9.969 2.033 626 HD22 ASN 81 HD22 ASN 81 -10.196 -8.826 2.546 627 H GLY 82 HN GLY 82 -11.747 -12.153 -0.829 628 HA2 GLY 82 HA1 GLY 82 -13.891 -11.789 -1.497 629 HA3 GLY 82 HA2 GLY 82 -14.323 -13.022 -0.330 630 H PHE 83 HN PHE 83 -12.861 -9.994 0.741 631 HA PHE 83 HA PHE 83 -15.337 -9.438 2.165 632 HB2 PHE 83 HB2 PHE 83 -13.342 -9.208 3.476 633 HB3 PHE 83 HB1 PHE 83 -12.619 -8.133 2.288 634 HD1 PHE 83 HD2 PHE 83 -15.629 -8.369 4.471 635 HD2 PHE 83 HD1 PHE 83 -12.706 -5.866 2.657 636 HE1 PHE 83 HE2 PHE 83 -16.552 -6.428 5.670 637 HE2 PHE 83 HE1 PHE 83 -13.622 -3.921 3.851 638 HZ PHE 83 HZ PHE 83 -15.549 -4.201 5.360 639 H ARG 84 HN ARG 84 -16.831 -8.642 0.815 640 HA ARG 84 HA ARG 84 -16.144 -6.528 -1.041 641 HB2 ARG 84 HB2 ARG 84 -18.639 -8.101 -0.486 642 HB3 ARG 84 HB1 ARG 84 -18.704 -6.632 -1.451 643 HG2 ARG 84 HG2 ARG 84 -18.525 -8.434 -2.964 644 HG3 ARG 84 HG1 ARG 84 -16.946 -7.645 -2.926 645 HD2 ARG 84 HD2 ARG 84 -16.229 -9.366 -1.249 646 HD3 ARG 84 HD1 ARG 84 -17.750 -10.205 -1.556 647 HE ARG 84 HE ARG 84 -16.163 -9.665 -3.909 648 HH11 ARG 84 HH11 ARG 84 -16.897 -11.915 -1.351 649 HH12 ARG 84 HH12 ARG 84 -16.286 -13.290 -2.210 650 HH21 ARG 84 HH21 ARG 84 -15.355 -11.469 -5.046 651 HH22 ARG 84 HH22 ARG 84 -15.410 -13.035 -4.310 652 H GLY 85 HN GLY 85 -16.141 -4.492 -0.510 653 HA2 GLY 85 HA1 GLY 85 -18.194 -3.298 1.085 654 HA3 GLY 85 HA2 GLY 85 -16.684 -3.428 1.975 655 H GLU 86 HN GLU 86 -18.225 -1.081 0.993 656 HA GLU 86 HA GLU 86 -16.496 0.101 -1.013 657 HB2 GLU 86 HB1 GLU 86 -18.792 1.316 0.537 658 HB3 GLU 86 HB2 GLU 86 -17.986 2.040 -0.849 659 HG2 GLU 86 HG1 GLU 86 -18.782 0.271 -2.285 660 HG3 GLU 86 HG2 GLU 86 -19.504 -0.559 -0.906 661 H LEU 87 HN LEU 87 -14.536 0.691 -0.312 662 HA LEU 87 HA LEU 87 -14.375 2.197 2.216 663 HB2 LEU 87 HB2 LEU 87 -13.249 -0.048 2.172 664 HB3 LEU 87 HB1 LEU 87 -12.170 0.583 0.943 665 HG LEU 87 HG LEU 87 -11.279 2.215 2.510 666 HD11 LEU 87 HD11 LEU 87 -13.197 2.724 3.837 667 HD12 LEU 87 HD12 LEU 87 -11.954 2.075 4.910 668 HD13 LEU 87 HD13 LEU 87 -13.309 1.059 4.410 669 HD21 LEU 87 HD21 LEU 87 -10.213 0.670 4.095 670 HD22 LEU 87 HD22 LEU 87 -10.226 0.034 2.451 671 HD23 LEU 87 HD23 LEU 87 -11.374 -0.577 3.642 672 H SER 88 HN SER 88 -13.042 4.014 2.303 673 HA SER 88 HA SER 88 -12.938 5.570 -0.052 674 HB2 SER 88 HB1 SER 88 -11.730 7.217 1.332 675 HB3 SER 88 HB2 SER 88 -13.146 6.584 2.172 676 HG SER 88 HG SER 88 -11.235 4.981 2.847 677 H ALA 89 HN ALA 89 -11.014 6.528 -1.019 678 HA ALA 89 HA ALA 89 -9.166 4.583 -1.859 679 HB1 ALA 89 HB1 ALA 89 -8.047 6.392 -3.029 680 HB2 ALA 89 HB2 ALA 89 -8.940 7.581 -2.081 681 HB3 ALA 89 HB3 ALA 89 -9.795 6.531 -3.212 682 H ASP 90 HN ASP 90 -9.243 6.458 0.964 683 HA ASP 90 HA ASP 90 -6.386 6.551 1.363 684 HB2 ASP 90 HB1 ASP 90 -7.881 8.328 2.239 685 HB3 ASP 90 HB2 ASP 90 -8.622 7.145 3.314 686 H ALA 91 HN ALA 91 -9.100 4.977 3.069 687 HA ALA 91 HA ALA 91 -7.369 3.286 4.591 688 HB1 ALA 91 HB1 ALA 91 -9.406 2.224 5.386 689 HB2 ALA 91 HB2 ALA 91 -10.341 3.045 4.136 690 HB3 ALA 91 HB3 ALA 91 -9.573 3.980 5.418 691 H ALA 92 HN ALA 92 -8.541 3.153 1.408 692 HA ALA 92 HA ALA 92 -8.379 0.248 1.239 693 HB1 ALA 92 HB1 ALA 92 -9.120 0.541 -1.075 694 HB2 ALA 92 HB2 ALA 92 -9.033 2.292 -0.883 695 HB3 ALA 92 HB3 ALA 92 -10.201 1.360 0.053 696 H GLY 93 HN GLY 93 -6.657 3.147 0.242 697 HA2 GLY 93 HA2 GLY 93 -4.798 1.990 -1.498 698 HA3 GLY 93 HA1 GLY 93 -4.510 3.435 -0.532 699 H ILE 94 HN ILE 94 -5.182 1.721 1.891 700 HA ILE 94 HA ILE 94 -2.517 1.078 2.618 701 HB ILE 94 HB ILE 94 -4.863 -0.132 4.034 702 HG12 ILE 94 HG12 ILE 94 -5.644 2.115 3.572 703 HG13 ILE 94 HG11 ILE 94 -5.193 1.998 5.269 704 HG21 ILE 94 HG21 ILE 94 -3.517 0.396 6.016 705 HG22 ILE 94 HG22 ILE 94 -2.294 1.127 4.980 706 HG23 ILE 94 HG23 ILE 94 -2.633 -0.599 4.859 707 HD11 ILE 94 HD11 ILE 94 -3.176 3.203 4.891 708 HD12 ILE 94 HD12 ILE 94 -4.507 4.104 4.155 709 HD13 ILE 94 HD13 ILE 94 -3.416 3.156 3.143 710 H VAL 95 HN VAL 95 -5.287 -0.782 1.529 711 HA VAL 95 HA VAL 95 -4.029 -3.339 1.812 712 HB VAL 95 HB VAL 95 -6.495 -2.568 0.243 713 HG11 VAL 95 HG21 VAL 95 -5.632 -4.706 -0.470 714 HG12 VAL 95 HG22 VAL 95 -7.095 -4.947 0.487 715 HG13 VAL 95 HG23 VAL 95 -5.513 -5.251 1.203 716 HG21 VAL 95 HG11 VAL 95 -6.188 -3.541 3.079 717 HG22 VAL 95 HG12 VAL 95 -7.724 -3.401 2.222 718 HG23 VAL 95 HG13 VAL 95 -6.767 -1.958 2.557 719 H ALA 96 HN ALA 96 -4.299 -0.935 -0.707 720 HA ALA 96 HA ALA 96 -3.653 -2.601 -2.905 721 HB1 ALA 96 HB1 ALA 96 -3.251 -0.533 -4.113 722 HB2 ALA 96 HB2 ALA 96 -3.238 0.370 -2.599 723 HB3 ALA 96 HB3 ALA 96 -4.721 -0.407 -3.150 724 H THR 97 HN THR 97 -1.668 -0.485 -0.851 725 HA THR 97 HA THR 97 0.764 -1.111 -2.219 726 HB THR 97 HB THR 97 0.636 1.008 -1.110 727 HG1 THR 97 HG1 THR 97 2.489 0.757 0.349 728 HG21 THR 97 HG21 THR 97 0.386 1.235 1.303 729 HG22 THR 97 HG22 THR 97 0.243 -0.514 1.469 730 HG23 THR 97 HG23 THR 97 -1.004 0.394 0.617 731 H LEU 98 HN LEU 98 -0.731 -2.188 0.818 732 HA LEU 98 HA LEU 98 1.342 -3.699 1.848 733 HB2 LEU 98 HB2 LEU 98 -1.635 -3.967 2.011 734 HB3 LEU 98 HB1 LEU 98 -0.600 -5.169 2.760 735 HG LEU 98 HG LEU 98 -0.473 -2.219 3.382 736 HD11 LEU 98 HD21 LEU 98 -1.862 -4.443 4.868 737 HD12 LEU 98 HD22 LEU 98 -2.634 -3.082 4.051 738 HD13 LEU 98 HD23 LEU 98 -1.628 -2.803 5.473 739 HD21 LEU 98 HD11 LEU 98 0.833 -2.933 5.312 740 HD22 LEU 98 HD12 LEU 98 1.599 -3.443 3.808 741 HD23 LEU 98 HD13 LEU 98 0.711 -4.611 4.785 742 H PHE 99 HN PHE 99 -1.236 -4.827 -0.350 743 HA PHE 99 HA PHE 99 -0.379 -7.473 -0.556 744 HB2 PHE 99 HB1 PHE 99 -2.094 -5.681 -2.184 745 HB3 PHE 99 HB2 PHE 99 -1.489 -7.134 -2.976 746 HD1 PHE 99 HD1 PHE 99 -3.617 -5.839 -0.285 747 HD2 PHE 99 HD2 PHE 99 -2.231 -9.315 -2.318 748 HE1 PHE 99 HE1 PHE 99 -5.393 -7.169 0.777 749 HE2 PHE 99 HE2 PHE 99 -4.006 -10.647 -1.258 750 HZ PHE 99 HZ PHE 99 -5.590 -9.574 0.292 751 H ALA 100 HN ALA 100 0.818 -4.591 -2.083 752 HA ALA 100 HA ALA 100 2.271 -5.858 -4.173 753 HB1 ALA 100 HB1 ALA 100 3.415 -3.715 -4.416 754 HB2 ALA 100 HB2 ALA 100 2.732 -3.167 -2.886 755 HB3 ALA 100 HB3 ALA 100 1.674 -3.489 -4.260 756 H LEU 101 HN LEU 101 3.016 -4.959 -0.858 757 HA LEU 101 HA LEU 101 5.788 -5.408 -0.921 758 HB2 LEU 101 HB2 LEU 101 3.859 -5.724 1.380 759 HB3 LEU 101 HB1 LEU 101 5.604 -5.653 1.532 760 HG LEU 101 HG LEU 101 3.833 -3.419 0.529 761 HD11 LEU 101 HD21 LEU 101 5.322 -3.762 3.131 762 HD12 LEU 101 HD22 LEU 101 3.572 -3.798 2.915 763 HD13 LEU 101 HD23 LEU 101 4.466 -2.306 2.622 764 HD21 LEU 101 HD11 LEU 101 5.903 -2.067 0.691 765 HD22 LEU 101 HD12 LEU 101 5.977 -3.315 -0.554 766 HD23 LEU 101 HD13 LEU 101 6.810 -3.552 0.984 767 H GLY 102 HN GLY 102 3.086 -7.571 -0.150 768 HA2 GLY 102 HA2 GLY 102 4.642 -9.804 0.589 769 HA3 GLY 102 HA1 GLY 102 2.969 -9.854 0.058 770 H GLN 103 HN GLN 103 3.505 -8.695 -2.555 771 HA GLN 103 HA GLN 103 4.131 -11.102 -3.935 772 HB2 GLN 103 HB2 GLN 103 2.538 -9.334 -4.743 773 HB3 GLN 103 HB1 GLN 103 3.931 -8.327 -5.110 774 HG2 GLN 103 HG1 GLN 103 4.714 -9.885 -6.742 775 HG3 GLN 103 HG2 GLN 103 3.486 -11.062 -6.277 776 HE21 GLN 103 HE21 GLN 103 4.139 -8.130 -8.001 777 HE22 GLN 103 HE22 GLN 103 2.623 -8.030 -8.820 778 H LEU 104 HN LEU 104 5.861 -8.057 -3.421 779 HA LEU 104 HA LEU 104 8.057 -8.554 -5.076 780 HB2 LEU 104 HB1 LEU 104 7.875 -6.975 -2.511 781 HB3 LEU 104 HB2 LEU 104 9.267 -6.956 -3.575 782 HG LEU 104 HG LEU 104 6.494 -6.088 -4.400 783 HD11 LEU 104 HD11 LEU 104 7.348 -3.811 -4.239 784 HD12 LEU 104 HD12 LEU 104 8.876 -4.421 -3.603 785 HD13 LEU 104 HD13 LEU 104 7.393 -4.616 -2.669 786 HD21 LEU 104 HD21 LEU 104 7.940 -6.878 -6.224 787 HD22 LEU 104 HD22 LEU 104 9.173 -5.715 -5.733 788 HD23 LEU 104 HD23 LEU 104 7.612 -5.148 -6.331 789 H ALA 105 HN ALA 105 7.532 -9.363 -1.661 790 HA ALA 105 HA ALA 105 10.081 -10.412 -1.136 791 HB1 ALA 105 HB1 ALA 105 8.560 -9.837 0.649 792 HB2 ALA 105 HB2 ALA 105 8.989 -11.544 0.769 793 HB3 ALA 105 HB3 ALA 105 7.419 -11.073 0.118 794 H ALA 106 HN ALA 106 7.185 -11.855 -2.520 795 HA ALA 106 HA ALA 106 8.317 -14.522 -2.495 796 HB1 ALA 106 HB1 ALA 106 5.754 -13.555 -3.750 797 HB2 ALA 106 HB2 ALA 106 5.914 -14.155 -2.099 798 HB3 ALA 106 HB3 ALA 106 6.222 -15.231 -3.462 799 H GLU 107 HN GLU 107 8.371 -11.824 -4.586 800 HA GLU 107 HA GLU 107 8.482 -13.166 -7.079 801 HB2 GLU 107 HB2 GLU 107 8.017 -10.734 -6.794 802 HB3 GLU 107 HB1 GLU 107 9.698 -10.499 -6.339 803 HG2 GLU 107 HG2 GLU 107 9.398 -9.885 -8.637 804 HG3 GLU 107 HG1 GLU 107 10.387 -11.342 -8.546 805 H ILE 108 HN ILE 108 10.925 -12.194 -4.730 806 HA ILE 108 HA ILE 108 13.101 -13.135 -6.391 807 HB ILE 108 HB ILE 108 14.507 -12.604 -4.379 808 HG12 ILE 108 HG12 ILE 108 11.899 -11.498 -3.308 809 HG13 ILE 108 HG11 ILE 108 12.720 -12.929 -2.691 810 HG21 ILE 108 HG21 ILE 108 14.207 -11.007 -6.188 811 HG22 ILE 108 HG22 ILE 108 14.291 -10.175 -4.634 812 HG23 ILE 108 HG23 ILE 108 12.733 -10.402 -5.429 813 HD11 ILE 108 HD11 ILE 108 13.093 -10.931 -1.314 814 HD12 ILE 108 HD12 ILE 108 13.874 -10.151 -2.690 815 HD13 ILE 108 HD13 ILE 108 14.590 -11.594 -1.971 816 H ALA 109 HN ALA 109 10.863 -14.854 -5.067 817 HA ALA 109 HA ALA 109 10.663 -16.998 -4.338 818 HB1 ALA 109 HB1 ALA 109 12.553 -18.527 -4.630 819 HB2 ALA 109 HB2 ALA 109 13.613 -17.152 -4.944 820 HB3 ALA 109 HB3 ALA 109 12.299 -17.524 -6.060 821 H ASP 110 HN ASP 110 11.020 -18.352 -2.493 822 HA ASP 110 HA ASP 110 11.860 -16.829 -0.184 823 HB2 ASP 110 HB1 ASP 110 9.790 -18.234 -0.197 824 HB3 ASP 110 HB2 ASP 110 10.813 -19.665 -0.297 825 H THR 111 HN THR 111 14.053 -16.677 -0.114 826 HA THR 111 HA THR 111 15.507 -19.202 0.267 827 HB THR 111 HB THR 111 17.490 -18.162 -0.874 828 HG1 THR 111 HG1 THR 111 15.519 -16.313 -1.792 829 HG21 THR 111 HG21 THR 111 15.017 -18.595 -2.553 830 HG22 THR 111 HG22 THR 111 16.139 -19.841 -2.008 831 HG23 THR 111 HG23 THR 111 16.675 -18.611 -3.154 832 H ASP 112 HN ASP 112 16.692 -15.863 0.227 833 HA ASP 112 HA ASP 112 16.984 -15.931 3.138 834 HB2 ASP 112 HB1 ASP 112 19.108 -16.759 2.192 835 HB3 ASP 112 HB2 ASP 112 19.251 -15.283 1.240 836 H ALA 113 HN ALA 113 17.600 -13.958 0.232 837 HA ALA 113 HA ALA 113 17.401 -11.477 1.588 838 HB1 ALA 113 HB1 ALA 113 18.610 -11.717 -0.515 839 HB2 ALA 113 HB2 ALA 113 17.356 -10.484 -0.642 840 HB3 ALA 113 HB3 ALA 113 17.100 -12.079 -1.351 841 H ALA 114 HN ALA 114 15.041 -13.717 0.852 842 HA ALA 114 HA ALA 114 12.929 -11.796 0.311 843 HB1 ALA 114 HB1 ALA 114 11.468 -13.721 0.126 844 HB2 ALA 114 HB2 ALA 114 12.744 -14.777 0.738 845 HB3 ALA 114 HB3 ALA 114 12.931 -13.978 -0.825 846 H ASP 115 HN ASP 115 10.886 -11.993 1.603 847 HA ASP 115 HA ASP 115 9.764 -11.649 3.554 848 HB2 ASP 115 HB1 ASP 115 10.327 -14.047 3.883 849 HB3 ASP 115 HB2 ASP 115 11.795 -13.561 4.725 850 H ALA 116 HN ALA 116 12.842 -10.654 3.039 851 HA ALA 116 HA ALA 116 13.409 -9.503 5.620 852 HB1 ALA 116 HB1 ALA 116 14.730 -9.057 2.942 853 HB2 ALA 116 HB2 ALA 116 15.240 -10.211 4.175 854 HB3 ALA 116 HB3 ALA 116 15.334 -8.479 4.495 855 H LEU 117 HN LEU 117 12.558 -8.240 2.395 856 HA LEU 117 HA LEU 117 12.264 -5.565 3.239 857 HB2 LEU 117 HB2 LEU 117 11.331 -5.117 1.100 858 HB3 LEU 117 HB1 LEU 117 12.567 -6.334 0.865 859 HG LEU 117 HG LEU 117 10.776 -6.923 -0.547 860 HD11 LEU 117 HD21 LEU 117 10.087 -9.091 0.273 861 HD12 LEU 117 HD22 LEU 117 10.568 -8.647 1.909 862 HD13 LEU 117 HD23 LEU 117 11.784 -8.796 0.642 863 HD21 LEU 117 HD11 LEU 117 8.480 -7.231 0.215 864 HD22 LEU 117 HD12 LEU 117 9.027 -5.571 0.446 865 HD23 LEU 117 HD13 LEU 117 8.935 -6.670 1.823 866 H ILE 118 HN ILE 118 10.332 -8.338 3.616 867 HA ILE 118 HA ILE 118 7.753 -7.272 3.737 868 HB ILE 118 HB ILE 118 9.041 -9.626 5.094 869 HG12 ILE 118 HG12 ILE 118 8.592 -9.745 2.672 870 HG13 ILE 118 HG11 ILE 118 7.622 -10.906 3.575 871 HG21 ILE 118 HG21 ILE 118 6.880 -10.338 5.928 872 HG22 ILE 118 HG22 ILE 118 6.131 -8.865 5.308 873 HG23 ILE 118 HG23 ILE 118 7.312 -8.771 6.615 874 HD11 ILE 118 HD11 ILE 118 6.397 -9.753 1.758 875 HD12 ILE 118 HD12 ILE 118 6.612 -8.236 2.630 876 HD13 ILE 118 HD13 ILE 118 5.672 -9.542 3.351 877 H ASP 119 HN ASP 119 10.432 -6.903 5.846 878 HA ASP 119 HA ASP 119 9.373 -6.473 8.328 879 HB2 ASP 119 HB2 ASP 119 11.710 -5.509 6.850 880 HB3 ASP 119 HB1 ASP 119 11.175 -4.400 8.107 881 H ARG 120 HN ARG 120 9.442 -4.212 5.608 882 HA ARG 120 HA ARG 120 8.317 -2.006 6.926 883 HB2 ARG 120 HB1 ARG 120 8.286 -2.811 4.016 884 HB3 ARG 120 HB2 ARG 120 7.663 -1.274 4.597 885 HG2 ARG 120 HG1 ARG 120 9.858 -0.900 3.776 886 HG3 ARG 120 HG2 ARG 120 9.929 -0.800 5.536 887 HD2 ARG 120 HD1 ARG 120 10.814 -3.051 5.660 888 HD3 ARG 120 HD2 ARG 120 10.662 -3.233 3.914 889 HE ARG 120 HE ARG 120 12.296 -1.238 3.899 890 HH11 ARG 120 HH11 ARG 120 12.263 -3.815 6.244 891 HH12 ARG 120 HH12 ARG 120 13.963 -3.723 6.562 892 HH21 ARG 120 HH21 ARG 120 14.537 -1.111 4.309 893 HH22 ARG 120 HH22 ARG 120 15.255 -2.186 5.462 894 H TYR 121 HN TYR 121 6.851 -4.749 5.276 895 HA TYR 121 HA TYR 121 4.217 -3.894 5.112 896 HB2 TYR 121 HB2 TYR 121 5.076 -5.981 4.103 897 HB3 TYR 121 HB1 TYR 121 5.201 -6.693 5.707 898 HD1 TYR 121 HD2 TYR 121 3.067 -7.027 7.046 899 HD2 TYR 121 HD1 TYR 121 3.059 -6.066 2.904 900 HE1 TYR 121 HE2 TYR 121 0.757 -7.849 6.866 901 HE2 TYR 121 HE1 TYR 121 0.749 -6.885 2.711 902 HH TYR 121 HH TYR 121 -1.201 -7.537 5.405 903 H HIS 122 HN HIS 122 5.752 -5.727 7.751 904 HA HIS 122 HA HIS 122 3.571 -5.897 9.454 905 HB2 HIS 122 HB2 HIS 122 6.517 -5.706 10.081 906 HB3 HIS 122 HB1 HIS 122 5.292 -6.054 11.294 907 HD1 HIS 122 HD1 HIS 122 4.380 -8.416 11.398 908 HD2 HIS 122 HD2 HIS 122 6.905 -7.779 8.161 909 HE1 HIS 122 HE1 HIS 122 4.822 -10.695 10.433 910 HE2 HIS 122 HE2 HIS 122 6.278 -10.276 8.420 911 H PHE 123 HN PHE 123 5.780 -3.230 8.915 912 HA PHE 123 HA PHE 123 5.029 -1.703 11.180 913 HB2 PHE 123 HB1 PHE 123 6.228 -0.837 8.544 914 HB3 PHE 123 HB2 PHE 123 6.058 0.207 9.951 915 HD1 PHE 123 HD2 PHE 123 6.843 -1.544 12.148 916 HD2 PHE 123 HD1 PHE 123 8.495 -1.147 8.246 917 HE1 PHE 123 HE2 PHE 123 9.018 -2.328 12.993 918 HE2 PHE 123 HE1 PHE 123 10.671 -1.932 9.083 919 HZ PHE 123 HZ PHE 123 10.934 -2.523 11.460 920 H LEU 124 HN LEU 124 4.128 -1.293 7.742 921 HA LEU 124 HA LEU 124 2.245 0.716 8.125 922 HB2 LEU 124 HB1 LEU 124 3.048 0.187 5.925 923 HB3 LEU 124 HB2 LEU 124 2.402 -1.440 6.024 924 HG LEU 124 HG LEU 124 0.112 -0.518 6.026 925 HD11 LEU 124 HD11 LEU 124 0.619 1.652 7.040 926 HD12 LEU 124 HD12 LEU 124 -0.262 1.831 5.522 927 HD13 LEU 124 HD13 LEU 124 1.474 2.134 5.575 928 HD21 LEU 124 HD21 LEU 124 0.088 0.207 3.686 929 HD22 LEU 124 HD22 LEU 124 1.121 -1.201 3.928 930 HD23 LEU 124 HD23 LEU 124 1.841 0.397 3.733 931 H ARG 125 HN ARG 125 1.674 -2.786 7.822 932 HA ARG 125 HA ARG 125 -1.034 -2.885 8.152 933 HB2 ARG 125 HB2 ARG 125 0.395 -4.849 7.728 934 HB3 ARG 125 HB1 ARG 125 0.955 -4.791 9.393 935 HG2 ARG 125 HG2 ARG 125 -1.243 -5.298 10.211 936 HG3 ARG 125 HG1 ARG 125 -1.916 -5.191 8.582 937 HD2 ARG 125 HD1 ARG 125 -0.517 -7.090 7.896 938 HD3 ARG 125 HD2 ARG 125 0.108 -7.210 9.542 939 HE ARG 125 HE ARG 125 -2.653 -7.352 9.719 940 HH11 ARG 125 HH11 ARG 125 -0.064 -9.189 8.285 941 HH12 ARG 125 HH12 ARG 125 -0.896 -10.703 8.411 942 HH21 ARG 125 HH21 ARG 125 -3.756 -9.339 9.889 943 HH22 ARG 125 HH22 ARG 125 -2.994 -10.789 9.324 944 H GLY 126 HN GLY 126 1.357 -2.181 10.615 945 HA2 GLY 126 HA1 GLY 126 -0.502 -2.504 12.797 946 HA3 GLY 126 HA2 GLY 126 1.135 -1.878 12.900 947 H PHE 127 HN PHE 127 0.551 0.127 10.750 948 HA PHE 127 HA PHE 127 -0.327 2.219 12.470 949 HB2 PHE 127 HB2 PHE 127 1.350 2.760 10.871 950 HB3 PHE 127 HB1 PHE 127 0.398 2.102 9.545 951 HD1 PHE 127 HD1 PHE 127 0.419 4.826 12.072 952 HD2 PHE 127 HD2 PHE 127 -0.957 3.484 8.275 953 HE1 PHE 127 HE1 PHE 127 -0.492 7.067 11.614 954 HE2 PHE 127 HE2 PHE 127 -1.869 5.721 7.809 955 HZ PHE 127 HZ PHE 127 -1.637 7.516 9.480 956 H ALA 128 HN ALA 128 -1.770 0.387 9.837 957 HA ALA 128 HA ALA 128 -4.049 1.994 9.458 958 HB1 ALA 128 HB1 ALA 128 -3.235 0.260 7.874 959 HB2 ALA 128 HB2 ALA 128 -4.961 0.154 8.225 960 HB3 ALA 128 HB3 ALA 128 -3.836 -0.973 8.984 961 H ALA 129 HN ALA 129 -3.158 0.037 12.061 962 HA ALA 129 HA ALA 129 -5.725 -0.898 12.864 963 HB1 ALA 129 HB1 ALA 129 -3.231 -0.488 14.510 964 HB2 ALA 129 HB2 ALA 129 -3.661 -1.955 13.633 965 HB3 ALA 129 HB3 ALA 129 -4.649 -1.419 14.991 966 H GLY 130 HN GLY 130 -4.154 2.138 13.035 967 HA2 GLY 130 HA1 GLY 130 -5.819 3.084 15.243 968 HA3 GLY 130 HA2 GLY 130 -4.531 3.982 14.454 969 H HIS 131 HN HIS 131 -6.144 2.745 11.957 970 HA HIS 131 HA HIS 131 -7.502 5.221 11.410 971 HB2 HIS 131 HB2 HIS 131 -6.838 2.752 9.887 972 HB3 HIS 131 HB1 HIS 131 -8.211 3.703 9.321 973 HD1 HIS 131 HD1 HIS 131 -7.518 6.418 9.097 974 HD2 HIS 131 HD2 HIS 131 -4.521 3.559 8.773 975 HE1 HIS 131 HE1 HIS 131 -5.617 7.567 7.917 976 HE2 HIS 131 HE2 HIS 131 -3.814 5.817 7.729 977 HA PRO 132 HA PRO 132 -11.580 4.311 12.795 978 HB2 PRO 132 HB2 PRO 132 -12.539 5.306 10.165 979 HB3 PRO 132 HB1 PRO 132 -12.966 5.840 11.794 980 HG2 PRO 132 HG2 PRO 132 -11.368 7.313 10.253 981 HG3 PRO 132 HG1 PRO 132 -11.072 7.165 11.997 982 HD2 PRO 132 HD1 PRO 132 -9.672 5.832 9.714 983 HD3 PRO 132 HD2 PRO 132 -9.003 6.475 11.228 984 H GLU 133 HN GLU 133 -10.786 3.379 9.473 985 HA GLU 133 HA GLU 133 -12.763 1.222 9.590 986 HB2 GLU 133 HB2 GLU 133 -11.139 2.342 7.304 987 HB3 GLU 133 HB1 GLU 133 -12.178 0.931 7.160 988 HG2 GLU 133 HG1 GLU 133 -13.492 2.661 6.371 989 HG3 GLU 133 HG2 GLU 133 -14.036 2.453 8.035 990 H ALA 134 HN ALA 134 -10.059 1.392 10.946 991 HA ALA 134 HA ALA 134 -8.098 -0.193 10.000 992 HB1 ALA 134 HB1 ALA 134 -8.143 0.848 12.250 993 HB2 ALA 134 HB2 ALA 134 -7.558 -0.816 12.260 994 HB3 ALA 134 HB3 ALA 134 -9.201 -0.456 12.794 995 H ALA 135 HN ALA 135 -11.089 -1.378 11.507 996 HA ALA 135 HA ALA 135 -10.575 -4.088 11.430 997 HB1 ALA 135 HB1 ALA 135 -13.210 -2.670 11.075 998 HB2 ALA 135 HB2 ALA 135 -12.482 -3.183 12.598 999 HB3 ALA 135 HB3 ALA 135 -13.024 -4.387 11.430 1000 H ALA 136 HN ALA 136 -11.974 -2.039 8.894 1001 HA ALA 136 HA ALA 136 -12.442 -4.166 7.072 1002 HB1 ALA 136 HB1 ALA 136 -12.086 -1.245 6.427 1003 HB2 ALA 136 HB2 ALA 136 -13.591 -1.971 6.991 1004 HB3 ALA 136 HB3 ALA 136 -12.901 -2.462 5.445 1005 H ILE 137 HN ILE 137 -9.743 -1.956 7.569 1006 HA ILE 137 HA ILE 137 -8.313 -2.573 5.236 1007 HB ILE 137 HB ILE 137 -7.323 -1.572 7.900 1008 HG12 ILE 137 HG12 ILE 137 -7.860 -0.084 5.321 1009 HG13 ILE 137 HG11 ILE 137 -8.994 -0.167 6.665 1010 HG21 ILE 137 HG21 ILE 137 -5.496 -2.589 6.671 1011 HG22 ILE 137 HG22 ILE 137 -5.326 -0.832 6.671 1012 HG23 ILE 137 HG23 ILE 137 -5.919 -1.661 5.232 1013 HD11 ILE 137 HD11 ILE 137 -7.396 0.958 8.101 1014 HD12 ILE 137 HD12 ILE 137 -7.741 1.917 6.662 1015 HD13 ILE 137 HD13 ILE 137 -6.230 1.013 6.778 1016 H TYR 138 HN TYR 138 -7.876 -3.874 8.556 1017 HA TYR 138 HA TYR 138 -5.747 -5.580 7.797 1018 HB2 TYR 138 HB1 TYR 138 -5.644 -6.207 9.986 1019 HB3 TYR 138 HB2 TYR 138 -6.589 -4.737 10.175 1020 HD1 TYR 138 HD1 TYR 138 -8.984 -4.849 10.668 1021 HD2 TYR 138 HD2 TYR 138 -6.617 -8.371 10.390 1022 HE1 TYR 138 HE1 TYR 138 -10.755 -6.123 11.805 1023 HE2 TYR 138 HE2 TYR 138 -8.381 -9.656 11.522 1024 HH TYR 138 HH TYR 138 -11.518 -8.455 11.992 1025 H ARG 139 HN ARG 139 -9.237 -6.041 7.956 1026 HA ARG 139 HA ARG 139 -9.103 -8.865 7.498 1027 HB2 ARG 139 HB2 ARG 139 -11.490 -8.789 7.259 1028 HB3 ARG 139 HB1 ARG 139 -11.046 -7.718 8.581 1029 HG2 ARG 139 HG2 ARG 139 -11.202 -5.806 6.988 1030 HG3 ARG 139 HG1 ARG 139 -11.842 -6.934 5.789 1031 HD2 ARG 139 HD1 ARG 139 -13.051 -6.295 8.476 1032 HD3 ARG 139 HD2 ARG 139 -13.654 -5.770 6.906 1033 HE ARG 139 HE ARG 139 -13.540 -8.538 6.834 1034 HH11 ARG 139 HH11 ARG 139 -15.211 -6.070 8.641 1035 HH12 ARG 139 HH12 ARG 139 -16.609 -7.049 8.933 1036 HH21 ARG 139 HH21 ARG 139 -15.377 -9.833 7.213 1037 HH22 ARG 139 HH22 ARG 139 -16.704 -9.188 8.122 1038 H ALA 140 HN ALA 140 -9.246 -6.011 5.526 1039 HA ALA 140 HA ALA 140 -9.952 -7.211 3.076 1040 HB1 ALA 140 HB1 ALA 140 -10.050 -4.794 3.442 1041 HB2 ALA 140 HB2 ALA 140 -9.073 -5.195 2.028 1042 HB3 ALA 140 HB3 ALA 140 -8.290 -4.739 3.542 1043 H ILE 141 HN ILE 141 -6.894 -6.813 4.746 1044 HA ILE 141 HA ILE 141 -5.427 -7.979 2.506 1045 HB ILE 141 HB ILE 141 -3.407 -7.522 3.831 1046 HG12 ILE 141 HG11 ILE 141 -5.298 -6.280 5.843 1047 HG13 ILE 141 HG12 ILE 141 -4.479 -7.823 6.065 1048 HG21 ILE 141 HG21 ILE 141 -4.212 -5.816 2.321 1049 HG22 ILE 141 HG22 ILE 141 -3.551 -5.058 3.771 1050 HG23 ILE 141 HG23 ILE 141 -5.297 -5.188 3.562 1051 HD11 ILE 141 HD11 ILE 141 -3.142 -5.147 5.761 1052 HD12 ILE 141 HD12 ILE 141 -2.322 -6.693 5.983 1053 HD13 ILE 141 HD13 ILE 141 -3.348 -6.046 7.263 1054 H ASP 142 HN ASP 142 -6.910 -8.934 5.413 1055 HA ASP 142 HA ASP 142 -5.225 -11.056 6.200 1056 HB2 ASP 142 HB2 ASP 142 -6.958 -10.126 7.672 1057 HB3 ASP 142 HB1 ASP 142 -8.209 -10.743 6.597 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -7.531 1.636 21.160 2 H2 MET 1 HT2 MET 1 -9.000 2.030 20.422 3 H3 MET 1 HT3 MET 1 -8.901 1.937 22.108 4 HA MET 1 HA MET 1 -7.490 3.905 20.403 5 HB2 MET 1 HB1 MET 1 -9.929 4.273 20.525 6 HB3 MET 1 HB2 MET 1 -9.835 4.268 22.281 7 HG2 MET 1 HG2 MET 1 -8.381 6.245 22.190 8 HG3 MET 1 HG1 MET 1 -8.542 6.261 20.434 9 HE1 MET 1 HE1 MET 1 -9.358 8.750 20.436 10 HE2 MET 1 HE2 MET 1 -9.188 8.822 22.189 11 HE3 MET 1 HE3 MET 1 -10.685 9.359 21.426 12 H ASN 2 HN ASN 2 -7.995 2.451 23.527 13 HA ASN 2 HA ASN 2 -6.514 4.384 25.021 14 HB2 ASN 2 HB2 ASN 2 -8.178 2.980 26.115 15 HB3 ASN 2 HB1 ASN 2 -7.282 1.531 25.677 16 HD21 ASN 2 HD21 ASN 2 -5.753 4.488 26.729 17 HD22 ASN 2 HD22 ASN 2 -5.191 3.885 28.245 18 H THR 3 HN THR 3 -5.780 1.003 24.157 19 HA THR 3 HA THR 3 -2.919 1.717 24.180 20 HB THR 3 HB THR 3 -2.400 -0.562 24.864 21 HG1 THR 3 HG1 THR 3 -4.332 -1.848 25.561 22 HG21 THR 3 HG21 THR 3 -3.337 -0.526 27.136 23 HG22 THR 3 HG22 THR 3 -4.509 0.690 26.628 24 HG23 THR 3 HG23 THR 3 -2.788 1.074 26.635 25 H GLU 4 HN GLU 4 -5.385 1.104 22.182 26 HA GLU 4 HA GLU 4 -4.123 -0.791 20.401 27 HB2 GLU 4 HB1 GLU 4 -6.594 0.913 20.039 28 HB3 GLU 4 HB2 GLU 4 -6.070 -0.360 18.948 29 HG2 GLU 4 HG1 GLU 4 -6.890 -0.716 21.822 30 HG3 GLU 4 HG2 GLU 4 -7.855 -1.124 20.404 31 H GLU 5 HN GLU 5 -3.455 2.306 21.070 32 HA GLU 5 HA GLU 5 -2.998 3.155 18.308 33 HB2 GLU 5 HB1 GLU 5 -2.443 5.345 19.296 34 HB3 GLU 5 HB2 GLU 5 -4.042 4.791 19.773 35 HG2 GLU 5 HG2 GLU 5 -3.089 4.018 21.918 36 HG3 GLU 5 HG1 GLU 5 -1.536 4.701 21.437 37 H GLN 6 HN GLN 6 -0.957 3.714 17.523 38 HA GLN 6 HA GLN 6 1.315 2.766 19.141 39 HB2 GLN 6 HB1 GLN 6 2.388 1.993 17.091 40 HB3 GLN 6 HB2 GLN 6 0.829 1.210 17.311 41 HG2 GLN 6 HG2 GLN 6 -0.182 2.611 15.661 42 HG3 GLN 6 HG1 GLN 6 1.276 3.594 15.536 43 HE21 GLN 6 HE21 GLN 6 1.541 3.224 13.368 44 HE22 GLN 6 HE22 GLN 6 2.028 1.695 12.728 45 HA PRO 7 HA PRO 7 3.112 6.748 18.576 46 HB2 PRO 7 HB2 PRO 7 5.746 5.459 18.565 47 HB3 PRO 7 HB1 PRO 7 5.074 6.604 19.729 48 HG2 PRO 7 HG2 PRO 7 5.424 4.022 20.355 49 HG3 PRO 7 HG1 PRO 7 4.028 4.938 20.955 50 HD2 PRO 7 HD2 PRO 7 4.179 2.996 18.672 51 HD3 PRO 7 HD1 PRO 7 2.936 3.154 19.933 52 H VAL 8 HN VAL 8 3.093 4.495 16.291 53 HA VAL 8 HA VAL 8 4.905 5.866 14.443 54 HB VAL 8 HB VAL 8 3.406 3.272 14.062 55 HG11 VAL 8 HG11 VAL 8 5.567 4.547 12.394 56 HG12 VAL 8 HG12 VAL 8 3.866 4.398 11.954 57 HG13 VAL 8 HG13 VAL 8 4.862 2.954 12.125 58 HG21 VAL 8 HG21 VAL 8 6.307 3.762 14.721 59 HG22 VAL 8 HG22 VAL 8 5.578 2.193 14.374 60 HG23 VAL 8 HG23 VAL 8 5.093 3.093 15.811 61 H THR 9 HN THR 9 4.188 7.161 12.894 62 HA THR 9 HA THR 9 1.477 6.896 11.863 63 HB THR 9 HB THR 9 1.023 9.322 12.110 64 HG1 THR 9 HG1 THR 9 3.526 9.501 12.709 65 HG21 THR 9 HG21 THR 9 1.525 7.926 14.741 66 HG22 THR 9 HG22 THR 9 0.104 7.698 13.722 67 HG23 THR 9 HG23 THR 9 0.415 9.268 14.463 68 H ALA 10 HN ALA 10 1.264 7.567 9.770 69 HA ALA 10 HA ALA 10 3.705 8.030 8.318 70 HB1 ALA 10 HB1 ALA 10 2.337 7.860 6.327 71 HB2 ALA 10 HB2 ALA 10 0.867 7.953 7.298 72 HB3 ALA 10 HB3 ALA 10 1.935 6.557 7.444 73 H SER 11 HN SER 11 3.447 9.712 6.417 74 HA SER 11 HA SER 11 2.125 12.163 7.193 75 HB2 SER 11 HB1 SER 11 4.176 12.305 8.526 76 HB3 SER 11 HB2 SER 11 5.149 12.032 7.081 77 HG SER 11 HG SER 11 5.082 14.111 6.854 78 H LEU 12 HN LEU 12 2.203 13.796 5.524 79 HA LEU 12 HA LEU 12 2.459 12.594 2.889 80 HB2 LEU 12 HB2 LEU 12 0.477 14.005 3.695 81 HB3 LEU 12 HB1 LEU 12 1.531 15.391 3.489 82 HG LEU 12 HG LEU 12 1.798 14.788 1.093 83 HD11 LEU 12 HD11 LEU 12 0.183 13.173 0.135 84 HD12 LEU 12 HD12 LEU 12 -0.263 12.697 1.773 85 HD13 LEU 12 HD13 LEU 12 1.380 12.423 1.192 86 HD21 LEU 12 HD21 LEU 12 -0.458 15.479 0.408 87 HD22 LEU 12 HD22 LEU 12 0.164 16.452 1.740 88 HD23 LEU 12 HD23 LEU 12 -1.030 15.193 2.052 89 H VAL 13 HN VAL 13 4.260 12.761 1.765 90 HA VAL 13 HA VAL 13 6.328 14.627 2.494 91 HB VAL 13 HB VAL 13 6.282 12.819 0.078 92 HG11 VAL 13 HG11 VAL 13 8.726 12.907 0.313 93 HG12 VAL 13 HG12 VAL 13 8.545 14.031 1.660 94 HG13 VAL 13 HG13 VAL 13 8.028 14.503 0.041 95 HG21 VAL 13 HG21 VAL 13 7.487 11.185 1.493 96 HG22 VAL 13 HG22 VAL 13 5.823 11.453 2.009 97 HG23 VAL 13 HG23 VAL 13 7.152 12.199 2.898 98 H ALA 14 HN ALA 14 7.345 16.108 0.967 99 HA ALA 14 HA ALA 14 5.555 17.907 -0.185 100 HB1 ALA 14 HB1 ALA 14 8.477 17.569 -0.847 101 HB2 ALA 14 HB2 ALA 14 7.840 18.486 0.516 102 HB3 ALA 14 HB3 ALA 14 7.497 19.007 -1.133 103 H GLU 15 HN GLU 15 5.374 18.548 -2.455 104 HA GLU 15 HA GLU 15 4.770 16.291 -4.105 105 HB2 GLU 15 HB2 GLU 15 4.086 17.989 -5.771 106 HB3 GLU 15 HB1 GLU 15 3.351 18.245 -4.194 107 HG2 GLU 15 HG1 GLU 15 5.047 19.970 -3.719 108 HG3 GLU 15 HG2 GLU 15 5.689 19.748 -5.346 109 H ALA 16 HN ALA 16 7.400 18.582 -3.894 110 HA ALA 16 HA ALA 16 8.562 17.621 -6.392 111 HB1 ALA 16 HB1 ALA 16 10.188 19.392 -6.127 112 HB2 ALA 16 HB2 ALA 16 9.582 19.742 -4.508 113 HB3 ALA 16 HB3 ALA 16 8.561 20.037 -5.915 114 H GLN 17 HN GLN 17 8.495 16.546 -3.311 115 HA GLN 17 HA GLN 17 11.243 15.486 -3.456 116 HB2 GLN 17 HB2 GLN 17 9.579 16.047 -0.996 117 HB3 GLN 17 HB1 GLN 17 11.168 15.298 -0.990 118 HG2 GLN 17 HG2 GLN 17 10.577 18.068 -2.006 119 HG3 GLN 17 HG1 GLN 17 11.206 17.690 -0.403 120 HE21 GLN 17 HE21 GLN 17 11.887 17.691 -3.820 121 HE22 GLN 17 HE22 GLN 17 13.606 17.580 -3.680 122 H ARG 18 HN ARG 18 7.907 14.781 -3.325 123 HA ARG 18 HA ARG 18 8.014 12.188 -2.200 124 HB2 ARG 18 HB2 ARG 18 5.775 11.885 -3.139 125 HB3 ARG 18 HB1 ARG 18 5.926 13.445 -2.344 126 HG2 ARG 18 HG1 ARG 18 6.234 14.514 -4.531 127 HG3 ARG 18 HG2 ARG 18 6.025 12.944 -5.310 128 HD2 ARG 18 HD1 ARG 18 3.982 14.302 -3.556 129 HD3 ARG 18 HD2 ARG 18 3.960 14.293 -5.317 130 HE ARG 18 HE ARG 18 4.043 11.662 -4.205 131 HH11 ARG 18 HH11 ARG 18 1.952 14.328 -5.017 132 HH12 ARG 18 HH12 ARG 18 0.544 13.336 -5.202 133 HH21 ARG 18 HH21 ARG 18 2.195 10.347 -4.448 134 HH22 ARG 18 HH22 ARG 18 0.682 11.073 -4.878 135 H LEU 19 HN LEU 19 8.650 13.408 -5.407 136 HA LEU 19 HA LEU 19 8.468 10.833 -6.675 137 HB2 LEU 19 HB2 LEU 19 9.077 11.886 -8.660 138 HB3 LEU 19 HB1 LEU 19 8.158 13.103 -7.799 139 HG LEU 19 HG LEU 19 11.174 12.991 -7.945 140 HD11 LEU 19 HD21 LEU 19 10.982 14.913 -9.427 141 HD12 LEU 19 HD22 LEU 19 9.223 14.801 -9.360 142 HD13 LEU 19 HD23 LEU 19 10.160 13.509 -10.109 143 HD21 LEU 19 HD11 LEU 19 10.460 14.035 -5.905 144 HD22 LEU 19 HD12 LEU 19 9.288 15.027 -6.773 145 HD23 LEU 19 HD13 LEU 19 11.016 15.283 -7.021 146 H ASP 20 HN ASP 20 10.846 12.556 -4.912 147 HA ASP 20 HA ASP 20 13.018 10.867 -5.902 148 HB2 ASP 20 HB2 ASP 20 13.408 13.313 -5.616 149 HB3 ASP 20 HB1 ASP 20 13.113 13.124 -3.890 150 H PHE 21 HN PHE 21 10.737 11.036 -3.414 151 HA PHE 21 HA PHE 21 12.173 9.868 -1.282 152 HB2 PHE 21 HB2 PHE 21 9.845 11.033 -1.293 153 HB3 PHE 21 HB1 PHE 21 9.235 9.431 -1.700 154 HD1 PHE 21 HD2 PHE 21 11.063 11.365 0.853 155 HD2 PHE 21 HD1 PHE 21 9.024 7.747 -0.071 156 HE1 PHE 21 HE2 PHE 21 11.075 10.756 3.237 157 HE2 PHE 21 HE1 PHE 21 9.031 7.131 2.310 158 HZ PHE 21 HZ PHE 21 10.058 8.635 3.968 159 H LEU 22 HN LEU 22 10.329 8.527 -3.977 160 HA LEU 22 HA LEU 22 10.314 5.857 -3.125 161 HB2 LEU 22 HB2 LEU 22 9.844 7.279 -5.648 162 HB3 LEU 22 HB1 LEU 22 10.447 5.645 -5.856 163 HG LEU 22 HG LEU 22 8.021 5.661 -5.924 164 HD11 LEU 22 HD11 LEU 22 9.095 3.699 -4.988 165 HD12 LEU 22 HD12 LEU 22 7.570 4.014 -4.158 166 HD13 LEU 22 HD13 LEU 22 9.099 4.438 -3.387 167 HD21 LEU 22 HD21 LEU 22 7.656 7.681 -4.583 168 HD22 LEU 22 HD22 LEU 22 8.144 6.799 -3.134 169 HD23 LEU 22 HD23 LEU 22 6.687 6.325 -4.006 170 HA PRO 23 HA PRO 23 14.430 5.243 -5.607 171 HB2 PRO 23 HB2 PRO 23 15.856 7.521 -6.135 172 HB3 PRO 23 HB1 PRO 23 14.760 6.762 -7.293 173 HG2 PRO 23 HG2 PRO 23 14.292 9.104 -5.493 174 HG3 PRO 23 HG1 PRO 23 13.804 8.873 -7.182 175 HD2 PRO 23 HD2 PRO 23 12.079 8.559 -5.134 176 HD3 PRO 23 HD1 PRO 23 11.980 7.576 -6.608 177 H THR 24 HN THR 24 13.845 7.632 -3.208 178 HA THR 24 HA THR 24 16.388 7.764 -1.994 179 HB THR 24 HB THR 24 13.604 8.320 -1.000 180 HG1 THR 24 HG1 THR 24 14.925 10.432 -0.723 181 HG21 THR 24 HG21 THR 24 14.927 7.396 0.886 182 HG22 THR 24 HG22 THR 24 14.480 9.087 1.110 183 HG23 THR 24 HG23 THR 24 16.123 8.666 0.625 184 H TYR 25 HN TYR 25 13.503 5.855 -1.167 185 HA TYR 25 HA TYR 25 15.205 4.097 0.460 186 HB2 TYR 25 HB2 TYR 25 13.192 5.094 1.543 187 HB3 TYR 25 HB1 TYR 25 12.184 4.248 0.374 188 HD1 TYR 25 HD1 TYR 25 14.619 3.720 3.121 189 HD2 TYR 25 HD2 TYR 25 11.547 2.010 0.725 190 HE1 TYR 25 HE1 TYR 25 14.573 1.753 4.596 191 HE2 TYR 25 HE2 TYR 25 11.492 0.038 2.193 192 HH TYR 25 HH TYR 25 12.984 -0.039 5.225 193 H PHE 26 HN PHE 26 12.262 3.631 -1.479 194 HA PHE 26 HA PHE 26 12.530 0.999 -2.115 195 HB2 PHE 26 HB2 PHE 26 11.241 3.311 -3.430 196 HB3 PHE 26 HB1 PHE 26 11.522 1.915 -4.465 197 HD1 PHE 26 HD1 PHE 26 10.363 2.444 -0.949 198 HD2 PHE 26 HD2 PHE 26 9.692 0.587 -4.719 199 HE1 PHE 26 HE1 PHE 26 8.336 1.373 -0.056 200 HE2 PHE 26 HE2 PHE 26 7.664 -0.488 -3.834 201 HZ PHE 26 HZ PHE 26 6.983 -0.096 -1.500 202 H GLY 27 HN GLY 27 13.886 3.706 -3.956 203 HA2 GLY 27 HA2 GLY 27 16.197 3.420 -4.765 204 HA3 GLY 27 HA1 GLY 27 15.749 1.780 -5.203 205 HA PRO 28 HA PRO 28 14.959 5.085 -8.637 206 HB2 PRO 28 HB1 PRO 28 17.140 4.504 -10.205 207 HB3 PRO 28 HB2 PRO 28 17.075 5.841 -9.053 208 HG2 PRO 28 HG2 PRO 28 18.290 3.126 -8.742 209 HG3 PRO 28 HG1 PRO 28 18.911 4.700 -8.212 210 HD2 PRO 28 HD1 PRO 28 17.736 2.985 -6.501 211 HD3 PRO 28 HD2 PRO 28 17.557 4.744 -6.335 212 H ARG 29 HN ARG 29 15.554 1.785 -8.182 213 HA ARG 29 HA ARG 29 14.616 1.090 -10.864 214 HB2 ARG 29 HB1 ARG 29 16.546 -0.160 -10.174 215 HB3 ARG 29 HB2 ARG 29 15.787 -0.591 -8.647 216 HG2 ARG 29 HG2 ARG 29 15.813 -2.450 -10.252 217 HG3 ARG 29 HG1 ARG 29 14.177 -1.980 -9.785 218 HD2 ARG 29 HD1 ARG 29 14.106 -0.576 -11.877 219 HD3 ARG 29 HD2 ARG 29 15.614 -1.355 -12.356 220 HE ARG 29 HE ARG 29 13.213 -2.956 -11.786 221 HH11 ARG 29 HH11 ARG 29 15.737 -1.929 -13.961 222 HH12 ARG 29 HH12 ARG 29 15.365 -3.124 -15.159 223 HH21 ARG 29 HH21 ARG 29 12.721 -4.531 -13.358 224 HH22 ARG 29 HH22 ARG 29 13.651 -4.601 -14.817 225 H LEU 30 HN LEU 30 13.810 0.433 -7.426 226 HA LEU 30 HA LEU 30 11.516 -1.066 -7.937 227 HB2 LEU 30 HB1 LEU 30 12.372 0.592 -5.579 228 HB3 LEU 30 HB2 LEU 30 10.898 -0.351 -5.575 229 HG LEU 30 HG LEU 30 13.734 -1.362 -5.721 230 HD11 LEU 30 HD21 LEU 30 13.077 -2.578 -3.697 231 HD12 LEU 30 HD22 LEU 30 11.482 -1.829 -3.772 232 HD13 LEU 30 HD23 LEU 30 12.911 -0.834 -3.496 233 HD21 LEU 30 HD11 LEU 30 12.772 -3.623 -5.873 234 HD22 LEU 30 HD12 LEU 30 12.439 -2.651 -7.307 235 HD23 LEU 30 HD13 LEU 30 11.176 -2.910 -6.103 236 H MET 31 HN MET 31 11.996 2.401 -7.626 237 HA MET 31 HA MET 31 9.576 3.435 -7.207 238 HB2 MET 31 HB2 MET 31 10.223 5.139 -9.095 239 HB3 MET 31 HB1 MET 31 11.172 5.031 -7.618 240 HG2 MET 31 HG2 MET 31 12.941 4.034 -8.659 241 HG3 MET 31 HG1 MET 31 11.949 3.338 -9.934 242 HE1 MET 31 HE1 MET 31 10.275 6.128 -10.739 243 HE2 MET 31 HE2 MET 31 10.792 4.815 -11.798 244 HE3 MET 31 HE3 MET 31 11.236 6.479 -12.177 245 H MET 32 HN MET 32 10.411 1.674 -10.131 246 HA MET 32 HA MET 32 7.783 2.341 -11.244 247 HB2 MET 32 HB1 MET 32 8.603 1.564 -13.363 248 HB3 MET 32 HB2 MET 32 9.797 2.655 -12.674 249 HG2 MET 32 HG1 MET 32 11.179 0.810 -12.008 250 HG3 MET 32 HG2 MET 32 9.945 -0.342 -12.518 251 HE1 MET 32 HE1 MET 32 8.930 0.940 -15.258 252 HE2 MET 32 HE2 MET 32 9.264 -0.775 -15.018 253 HE3 MET 32 HE3 MET 32 9.961 0.075 -16.397 254 H ARG 33 HN ARG 33 9.803 -0.440 -10.368 255 HA ARG 33 HA ARG 33 7.739 -2.317 -11.097 256 HB2 ARG 33 HB1 ARG 33 9.278 -4.029 -10.235 257 HB3 ARG 33 HB2 ARG 33 10.058 -2.960 -11.393 258 HG2 ARG 33 HG1 ARG 33 11.099 -1.729 -9.562 259 HG3 ARG 33 HG2 ARG 33 10.315 -2.800 -8.399 260 HD2 ARG 33 HD1 ARG 33 12.211 -3.726 -10.550 261 HD3 ARG 33 HD2 ARG 33 12.690 -3.381 -8.889 262 HE ARG 33 HE ARG 33 10.572 -5.206 -8.833 263 HH11 ARG 33 HH11 ARG 33 13.904 -5.042 -9.842 264 HH12 ARG 33 HH12 ARG 33 14.202 -6.728 -9.573 265 HH21 ARG 33 HH21 ARG 33 10.957 -7.426 -8.476 266 HH22 ARG 33 HH22 ARG 33 12.527 -8.082 -8.797 267 H GLY 34 HN GLY 34 8.024 -0.261 -8.547 268 HA2 GLY 34 HA2 GLY 34 6.814 -2.182 -6.659 269 HA3 GLY 34 HA1 GLY 34 7.654 -0.709 -6.190 270 H GLU 35 HN GLU 35 6.547 1.194 -7.764 271 HA GLU 35 HA GLU 35 4.080 1.693 -6.497 272 HB2 GLU 35 HB1 GLU 35 5.070 2.990 -9.041 273 HB3 GLU 35 HB2 GLU 35 3.931 3.658 -7.880 274 HG2 GLU 35 HG2 GLU 35 6.870 3.173 -7.469 275 HG3 GLU 35 HG1 GLU 35 6.050 4.727 -7.601 276 H ALA 36 HN ALA 36 4.966 0.238 -9.548 277 HA ALA 36 HA ALA 36 2.345 0.259 -10.678 278 HB1 ALA 36 HB1 ALA 36 4.710 -1.498 -11.327 279 HB2 ALA 36 HB2 ALA 36 4.333 0.055 -12.074 280 HB3 ALA 36 HB3 ALA 36 3.256 -1.322 -12.310 281 H LEU 37 HN LEU 37 3.984 -1.767 -8.402 282 HA LEU 37 HA LEU 37 2.251 -4.038 -8.706 283 HB2 LEU 37 HB2 LEU 37 4.680 -3.464 -7.384 284 HB3 LEU 37 HB1 LEU 37 3.544 -3.972 -6.152 285 HG LEU 37 HG LEU 37 3.092 -5.954 -7.823 286 HD11 LEU 37 HD11 LEU 37 5.866 -5.055 -8.579 287 HD12 LEU 37 HD12 LEU 37 4.456 -5.128 -9.635 288 HD13 LEU 37 HD13 LEU 37 5.155 -6.614 -8.994 289 HD21 LEU 37 HD21 LEU 37 5.580 -5.792 -6.131 290 HD22 LEU 37 HD22 LEU 37 4.761 -7.267 -6.645 291 HD23 LEU 37 HD23 LEU 37 3.957 -6.151 -5.542 292 H VAL 38 HN VAL 38 2.381 -1.219 -6.621 293 HA VAL 38 HA VAL 38 0.424 -2.198 -4.765 294 HB VAL 38 HB VAL 38 0.504 -0.134 -3.674 295 HG11 VAL 38 HG21 VAL 38 2.627 -1.345 -3.594 296 HG12 VAL 38 HG22 VAL 38 2.872 0.399 -3.489 297 HG13 VAL 38 HG23 VAL 38 3.192 -0.447 -5.004 298 HG21 VAL 38 HG11 VAL 38 -0.058 1.297 -5.563 299 HG22 VAL 38 HG12 VAL 38 1.574 1.109 -6.206 300 HG23 VAL 38 HG13 VAL 38 1.319 1.943 -4.671 301 H TYR 39 HN TYR 39 0.333 -0.111 -7.611 302 HA TYR 39 HA TYR 39 -2.463 0.457 -7.338 303 HB2 TYR 39 HB1 TYR 39 -2.041 2.026 -8.883 304 HB3 TYR 39 HB2 TYR 39 -0.355 1.530 -8.807 305 HD1 TYR 39 HD2 TYR 39 0.580 0.035 -10.522 306 HD2 TYR 39 HD1 TYR 39 -3.418 1.466 -10.773 307 HE1 TYR 39 HE2 TYR 39 0.502 -0.616 -12.891 308 HE2 TYR 39 HE1 TYR 39 -3.508 0.818 -13.143 309 HH TYR 39 HH TYR 39 -1.996 0.385 -14.992 310 H ALA 40 HN ALA 40 -0.561 -2.043 -8.779 311 HA ALA 40 HA ALA 40 -2.355 -3.010 -10.705 312 HB1 ALA 40 HB1 ALA 40 0.001 -3.705 -10.541 313 HB2 ALA 40 HB2 ALA 40 -1.103 -5.079 -10.613 314 HB3 ALA 40 HB3 ALA 40 -0.383 -4.605 -9.074 315 H TRP 41 HN TRP 41 -2.086 -3.639 -7.243 316 HA TRP 41 HA TRP 41 -4.195 -5.612 -7.272 317 HB2 TRP 41 HB2 TRP 41 -2.676 -4.266 -5.033 318 HB3 TRP 41 HB1 TRP 41 -3.947 -5.451 -4.756 319 HD1 TRP 41 HD1 TRP 41 -0.297 -5.163 -5.595 320 HE1 TRP 41 HE1 TRP 41 0.720 -7.514 -5.822 321 HE3 TRP 41 HE3 TRP 41 -4.606 -7.920 -5.596 322 HZ2 TRP 41 HZ2 TRP 41 -0.181 -10.186 -5.983 323 HZ3 TRP 41 HZ3 TRP 41 -4.440 -10.367 -5.791 324 HH2 TRP 41 HH2 TRP 41 -2.272 -11.475 -5.982 325 H MET 42 HN MET 42 -3.831 -2.204 -6.623 326 HA MET 42 HA MET 42 -6.302 -1.784 -5.326 327 HB2 MET 42 HB2 MET 42 -4.290 -0.268 -5.309 328 HB3 MET 42 HB1 MET 42 -4.730 0.219 -6.941 329 HG2 MET 42 HG1 MET 42 -5.494 1.805 -5.248 330 HG3 MET 42 HG2 MET 42 -6.826 1.097 -6.161 331 HE1 MET 42 HE1 MET 42 -8.616 1.795 -4.529 332 HE2 MET 42 HE2 MET 42 -7.452 2.626 -3.495 333 HE3 MET 42 HE3 MET 42 -8.605 1.491 -2.793 334 H ARG 43 HN ARG 43 -5.351 -1.814 -8.714 335 HA ARG 43 HA ARG 43 -7.850 -0.708 -9.620 336 HB2 ARG 43 HB2 ARG 43 -6.980 -1.266 -11.892 337 HB3 ARG 43 HB1 ARG 43 -5.910 -0.243 -10.945 338 HG2 ARG 43 HG1 ARG 43 -4.425 -1.730 -11.848 339 HG3 ARG 43 HG2 ARG 43 -4.780 -2.503 -10.303 340 HD2 ARG 43 HD1 ARG 43 -6.429 -3.941 -11.407 341 HD3 ARG 43 HD2 ARG 43 -6.059 -3.173 -12.951 342 HE ARG 43 HE ARG 43 -3.772 -4.323 -11.634 343 HH11 ARG 43 HH11 ARG 43 -6.431 -4.902 -13.810 344 HH12 ARG 43 HH12 ARG 43 -5.668 -6.250 -14.586 345 HH21 ARG 43 HH21 ARG 43 -2.762 -6.094 -12.649 346 HH22 ARG 43 HH22 ARG 43 -3.583 -6.929 -13.926 347 H ARG 44 HN ARG 44 -6.743 -3.792 -8.723 348 HA ARG 44 HA ARG 44 -8.541 -5.295 -10.395 349 HB2 ARG 44 HB2 ARG 44 -6.809 -6.033 -8.037 350 HB3 ARG 44 HB1 ARG 44 -7.866 -7.191 -8.835 351 HG2 ARG 44 HG2 ARG 44 -6.665 -6.810 -10.942 352 HG3 ARG 44 HG1 ARG 44 -5.587 -5.689 -10.108 353 HD2 ARG 44 HD2 ARG 44 -4.976 -7.557 -8.562 354 HD3 ARG 44 HD1 ARG 44 -5.908 -8.640 -9.594 355 HE ARG 44 HE ARG 44 -4.091 -7.301 -11.218 356 HH11 ARG 44 HH11 ARG 44 -4.054 -9.573 -8.577 357 HH12 ARG 44 HH12 ARG 44 -2.563 -10.309 -9.061 358 HH21 ARG 44 HH21 ARG 44 -2.126 -8.264 -11.863 359 HH22 ARG 44 HH22 ARG 44 -1.467 -9.565 -10.929 360 H LEU 45 HN LEU 45 -8.340 -4.667 -6.903 361 HA LEU 45 HA LEU 45 -10.614 -5.810 -5.986 362 HB2 LEU 45 HB2 LEU 45 -9.738 -3.057 -5.147 363 HB3 LEU 45 HB1 LEU 45 -10.641 -4.218 -4.201 364 HG LEU 45 HG LEU 45 -7.776 -4.556 -5.089 365 HD11 LEU 45 HD21 LEU 45 -7.255 -4.260 -2.703 366 HD12 LEU 45 HD22 LEU 45 -8.948 -3.873 -2.397 367 HD13 LEU 45 HD23 LEU 45 -7.972 -2.817 -3.419 368 HD21 LEU 45 HD11 LEU 45 -9.522 -6.249 -3.309 369 HD22 LEU 45 HD12 LEU 45 -7.788 -6.470 -3.540 370 HD23 LEU 45 HD13 LEU 45 -8.892 -6.691 -4.896 371 H CYS 46 HN CYS 46 -10.493 -3.094 -8.127 372 HA CYS 46 HA CYS 46 -13.402 -2.780 -7.844 373 HB2 CYS 46 HB2 CYS 46 -12.311 -0.762 -7.024 374 HB3 CYS 46 HB1 CYS 46 -11.371 -0.639 -8.507 375 HG CYS 46 HG CYS 46 -14.780 -0.379 -8.391 376 H GLU 47 HN GLU 47 -14.586 -2.843 -9.688 377 HA GLU 47 HA GLU 47 -13.290 -3.833 -12.063 378 HB2 GLU 47 HB1 GLU 47 -15.523 -4.141 -12.937 379 HB3 GLU 47 HB2 GLU 47 -15.471 -4.724 -11.279 380 HG2 GLU 47 HG1 GLU 47 -16.421 -1.972 -11.986 381 HG3 GLU 47 HG2 GLU 47 -17.497 -3.369 -11.965 382 H ARG 48 HN ARG 48 -14.550 -0.854 -10.878 383 HA ARG 48 HA ARG 48 -14.129 0.413 -13.503 384 HB2 ARG 48 HB2 ARG 48 -15.779 1.449 -11.188 385 HB3 ARG 48 HB1 ARG 48 -15.655 2.164 -12.790 386 HG2 ARG 48 HG1 ARG 48 -16.772 0.267 -13.773 387 HG3 ARG 48 HG2 ARG 48 -16.800 -0.560 -12.214 388 HD2 ARG 48 HD1 ARG 48 -18.148 1.371 -11.333 389 HD3 ARG 48 HD2 ARG 48 -18.272 1.948 -12.995 390 HE ARG 48 HE ARG 48 -19.099 -0.762 -12.781 391 HH11 ARG 48 HH11 ARG 48 -20.129 2.509 -12.158 392 HH12 ARG 48 HH12 ARG 48 -21.817 2.137 -12.286 393 HH21 ARG 48 HH21 ARG 48 -21.318 -1.259 -12.948 394 HH22 ARG 48 HH22 ARG 48 -22.492 -0.005 -12.734 395 H TYR 49 HN TYR 49 -11.857 -0.039 -12.323 396 HA TYR 49 HA TYR 49 -11.119 2.445 -10.928 397 HB2 TYR 49 HB2 TYR 49 -10.936 0.131 -9.728 398 HB3 TYR 49 HB1 TYR 49 -9.504 -0.076 -10.731 399 HD1 TYR 49 HD1 TYR 49 -7.971 2.187 -10.719 400 HD2 TYR 49 HD2 TYR 49 -10.539 0.859 -7.604 401 HE1 TYR 49 HE1 TYR 49 -6.648 3.474 -9.092 402 HE2 TYR 49 HE2 TYR 49 -9.228 2.136 -5.966 403 HH TYR 49 HH TYR 49 -7.001 3.087 -5.719 404 H ASN 50 HN ASN 50 -10.334 3.704 -12.537 405 HA ASN 50 HA ASN 50 -8.598 2.566 -14.575 406 HB2 ASN 50 HB2 ASN 50 -9.707 5.351 -14.188 407 HB3 ASN 50 HB1 ASN 50 -8.652 4.889 -15.520 408 HD21 ASN 50 HD21 ASN 50 -11.808 4.536 -14.103 409 HD22 ASN 50 HD22 ASN 50 -12.575 3.856 -15.494 410 H GLY 51 HN GLY 51 -8.384 4.541 -11.703 411 HA2 GLY 51 HA1 GLY 51 -5.825 4.125 -11.011 412 HA3 GLY 51 HA2 GLY 51 -5.649 5.350 -12.257 413 H ALA 52 HN ALA 52 -4.661 6.168 -10.017 414 HA ALA 52 HA ALA 52 -6.279 8.362 -9.239 415 HB1 ALA 52 HB1 ALA 52 -6.544 7.780 -6.850 416 HB2 ALA 52 HB2 ALA 52 -5.974 6.152 -7.217 417 HB3 ALA 52 HB3 ALA 52 -7.476 6.739 -7.927 418 H TYR 53 HN TYR 53 -5.251 9.537 -7.294 419 HA TYR 53 HA TYR 53 -2.398 9.636 -7.792 420 HB2 TYR 53 HB2 TYR 53 -4.380 11.432 -6.456 421 HB3 TYR 53 HB1 TYR 53 -2.668 11.626 -6.098 422 HD1 TYR 53 HD1 TYR 53 -1.246 11.358 -8.485 423 HD2 TYR 53 HD2 TYR 53 -5.136 12.998 -7.966 424 HE1 TYR 53 HE1 TYR 53 -0.953 12.688 -10.536 425 HE2 TYR 53 HE2 TYR 53 -4.857 14.330 -10.015 426 HH TYR 53 HH TYR 53 -2.329 13.789 -12.229 427 H TRP 54 HN TRP 54 -1.647 7.784 -6.789 428 HA TRP 54 HA TRP 54 -2.158 7.104 -4.098 429 HB2 TRP 54 HB1 TRP 54 0.397 6.276 -5.391 430 HB3 TRP 54 HB2 TRP 54 -0.746 5.323 -4.448 431 HD1 TRP 54 HD1 TRP 54 -3.231 4.949 -5.865 432 HE1 TRP 54 HE1 TRP 54 -3.490 4.234 -8.320 433 HE3 TRP 54 HE3 TRP 54 1.410 6.240 -7.579 434 HZ2 TRP 54 HZ2 TRP 54 -1.931 4.214 -10.677 435 HZ3 TRP 54 HZ3 TRP 54 1.945 5.841 -9.947 436 HH2 TRP 54 HH2 TRP 54 0.309 4.848 -11.462 437 H HIS 55 HN HIS 55 -1.848 9.203 -3.103 438 HA HIS 55 HA HIS 55 0.436 10.697 -2.952 439 HB2 HIS 55 HB2 HIS 55 -1.477 10.056 -0.700 440 HB3 HIS 55 HB1 HIS 55 -0.285 11.349 -0.659 441 HD1 HIS 55 HD1 HIS 55 -0.795 13.478 -1.990 442 HD2 HIS 55 HD2 HIS 55 -3.707 10.537 -2.344 443 HE1 HIS 55 HE1 HIS 55 -2.764 14.610 -3.069 444 HE2 HIS 55 HE2 HIS 55 -4.543 12.832 -3.199 445 H TYR 56 HN TYR 56 2.423 10.459 -2.157 446 HA TYR 56 HA TYR 56 3.152 7.917 -0.998 447 HB2 TYR 56 HB1 TYR 56 4.867 10.341 -1.582 448 HB3 TYR 56 HB2 TYR 56 5.457 8.738 -1.156 449 HD1 TYR 56 HD1 TYR 56 3.500 7.137 -2.846 450 HD2 TYR 56 HD2 TYR 56 5.860 10.565 -3.721 451 HE1 TYR 56 HE1 TYR 56 3.516 6.512 -5.223 452 HE2 TYR 56 HE2 TYR 56 5.881 9.951 -6.102 453 HH TYR 56 HH TYR 56 5.601 7.929 -7.484 454 H TYR 57 HN TYR 57 3.502 7.488 1.075 455 HA TYR 57 HA TYR 57 3.441 9.746 2.967 456 HB2 TYR 57 HB2 TYR 57 2.138 7.049 3.103 457 HB3 TYR 57 HB1 TYR 57 2.504 7.940 4.578 458 HD1 TYR 57 HD2 TYR 57 1.376 10.050 5.070 459 HD2 TYR 57 HD1 TYR 57 0.379 7.777 1.616 460 HE1 TYR 57 HE2 TYR 57 -0.692 11.351 4.820 461 HE2 TYR 57 HE1 TYR 57 -1.694 9.073 1.354 462 HH TYR 57 HH TYR 57 -3.214 10.422 2.772 463 H ALA 58 HN ALA 58 4.870 9.822 4.603 464 HA ALA 58 HA ALA 58 7.014 7.813 4.575 465 HB1 ALA 58 HB1 ALA 58 7.701 10.107 4.054 466 HB2 ALA 58 HB2 ALA 58 8.440 9.530 5.547 467 HB3 ALA 58 HB3 ALA 58 7.075 10.644 5.614 468 H LEU 59 HN LEU 59 6.544 6.295 6.054 469 HA LEU 59 HA LEU 59 5.258 6.946 8.550 470 HB2 LEU 59 HB2 LEU 59 6.180 4.454 7.199 471 HB3 LEU 59 HB1 LEU 59 5.885 4.410 8.928 472 HG LEU 59 HG LEU 59 3.792 5.456 7.047 473 HD11 LEU 59 HD11 LEU 59 4.463 3.261 6.196 474 HD12 LEU 59 HD12 LEU 59 2.846 3.224 6.894 475 HD13 LEU 59 HD13 LEU 59 4.210 2.564 7.797 476 HD21 LEU 59 HD21 LEU 59 2.289 4.716 8.817 477 HD22 LEU 59 HD22 LEU 59 3.506 5.826 9.448 478 HD23 LEU 59 HD23 LEU 59 3.661 4.092 9.733 479 H SER 60 HN SER 60 6.142 6.645 10.631 480 HA SER 60 HA SER 60 8.781 7.607 10.931 481 HB2 SER 60 HB2 SER 60 8.422 7.262 13.341 482 HB3 SER 60 HB1 SER 60 7.030 8.043 12.594 483 HG SER 60 HG SER 60 6.821 5.337 12.546 484 H ASP 61 HN ASP 61 7.453 4.407 10.761 485 HA ASP 61 HA ASP 61 9.699 3.088 11.959 486 HB2 ASP 61 HB1 ASP 61 7.362 2.107 10.327 487 HB3 ASP 61 HB2 ASP 61 8.638 1.031 10.886 488 H GLY 62 HN GLY 62 8.930 4.269 8.808 489 HA2 GLY 62 HA2 GLY 62 10.632 4.608 7.172 490 HA3 GLY 62 HA1 GLY 62 11.506 3.238 7.843 491 H GLY 63 HN GLY 63 8.236 2.541 7.604 492 HA2 GLY 63 HA2 GLY 63 8.690 0.630 5.514 493 HA3 GLY 63 HA1 GLY 63 7.166 0.941 6.330 494 H PHE 64 HN PHE 64 6.722 3.566 5.791 495 HA PHE 64 HA PHE 64 5.891 5.004 4.246 496 HB2 PHE 64 HB2 PHE 64 7.694 3.705 2.207 497 HB3 PHE 64 HB1 PHE 64 7.075 5.353 2.213 498 HD1 PHE 64 HD1 PHE 64 7.644 6.297 4.885 499 HD2 PHE 64 HD2 PHE 64 9.987 3.826 2.333 500 HE1 PHE 64 HE1 PHE 64 9.686 7.059 6.028 501 HE2 PHE 64 HE2 PHE 64 12.032 4.584 3.472 502 HZ PHE 64 HZ PHE 64 11.883 6.201 5.322 503 H TYR 65 HN TYR 65 4.002 4.972 3.204 504 HA TYR 65 HA TYR 65 3.342 2.654 1.537 505 HB2 TYR 65 HB2 TYR 65 1.409 2.086 2.657 506 HB3 TYR 65 HB1 TYR 65 2.439 2.564 4.001 507 HD1 TYR 65 HD1 TYR 65 2.125 4.829 5.036 508 HD2 TYR 65 HD2 TYR 65 -0.598 3.234 2.182 509 HE1 TYR 65 HE1 TYR 65 0.429 6.459 5.753 510 HE2 TYR 65 HE2 TYR 65 -2.300 4.864 2.889 511 HH TYR 65 HH TYR 65 -1.593 7.542 4.826 512 H MET 66 HN MET 66 1.550 2.998 0.090 513 HA MET 66 HA MET 66 1.223 5.839 -0.642 514 HB2 MET 66 HB2 MET 66 0.874 3.418 -2.418 515 HB3 MET 66 HB1 MET 66 0.905 5.104 -2.916 516 HG2 MET 66 HG1 MET 66 3.193 5.287 -2.615 517 HG3 MET 66 HG2 MET 66 3.265 3.882 -1.553 518 HE1 MET 66 HE1 MET 66 2.353 3.466 -6.049 519 HE2 MET 66 HE2 MET 66 2.921 5.013 -5.418 520 HE3 MET 66 HE3 MET 66 1.383 4.349 -4.869 521 H ALA 67 HN ALA 67 -0.801 6.647 -1.085 522 HA ALA 67 HA ALA 67 -3.085 4.829 -0.790 523 HB1 ALA 67 HB1 ALA 67 -4.202 6.242 0.774 524 HB2 ALA 67 HB2 ALA 67 -2.945 7.473 0.648 525 HB3 ALA 67 HB3 ALA 67 -2.586 5.920 1.404 526 HA PRO 68 HA PRO 68 -4.048 7.004 -4.612 527 HB2 PRO 68 HB2 PRO 68 -6.621 5.587 -4.123 528 HB3 PRO 68 HB1 PRO 68 -5.630 5.648 -5.582 529 HG2 PRO 68 HG1 PRO 68 -5.660 3.469 -4.060 530 HG3 PRO 68 HG2 PRO 68 -4.155 4.035 -4.809 531 HD2 PRO 68 HD2 PRO 68 -5.072 4.274 -1.976 532 HD3 PRO 68 HD1 PRO 68 -3.441 3.983 -2.614 533 H ASP 69 HN ASP 69 -5.778 8.479 -5.318 534 HA ASP 69 HA ASP 69 -7.243 9.686 -3.070 535 HB2 ASP 69 HB2 ASP 69 -5.127 10.944 -3.696 536 HB3 ASP 69 HB1 ASP 69 -5.899 11.298 -5.238 537 H LEU 70 HN LEU 70 -9.042 8.448 -3.968 538 HA LEU 70 HA LEU 70 -10.094 9.541 -6.468 539 HB2 LEU 70 HB2 LEU 70 -10.672 7.000 -4.963 540 HB3 LEU 70 HB1 LEU 70 -11.696 7.570 -6.266 541 HG LEU 70 HG LEU 70 -8.756 6.962 -6.573 542 HD11 LEU 70 HD11 LEU 70 -11.141 5.282 -7.333 543 HD12 LEU 70 HD12 LEU 70 -10.029 4.947 -6.006 544 HD13 LEU 70 HD13 LEU 70 -9.450 4.910 -7.670 545 HD21 LEU 70 HD21 LEU 70 -9.627 8.574 -8.186 546 HD22 LEU 70 HD22 LEU 70 -10.929 7.460 -8.604 547 HD23 LEU 70 HD23 LEU 70 -9.256 7.034 -8.963 548 H ALA 71 HN ALA 71 -12.571 9.412 -6.448 549 HA ALA 71 HA ALA 71 -13.612 11.441 -4.926 550 HB1 ALA 71 HB1 ALA 71 -14.656 10.587 -6.965 551 HB2 ALA 71 HB2 ALA 71 -15.814 10.708 -5.642 552 HB3 ALA 71 HB3 ALA 71 -15.158 9.135 -6.099 553 H GLY 72 HN GLY 72 -15.892 10.848 -3.706 554 HA2 GLY 72 HA1 GLY 72 -14.952 9.680 -1.212 555 HA3 GLY 72 HA2 GLY 72 -16.447 10.569 -1.441 556 H ARG 73 HN ARG 73 -15.576 7.843 -0.322 557 HA ARG 73 HA ARG 73 -16.343 5.702 -0.205 558 HB2 ARG 73 HB1 ARG 73 -18.869 7.170 -0.959 559 HB3 ARG 73 HB2 ARG 73 -18.831 5.513 -0.371 560 HG2 ARG 73 HG2 ARG 73 -18.211 6.142 1.763 561 HG3 ARG 73 HG1 ARG 73 -17.564 7.694 1.227 562 HD2 ARG 73 HD1 ARG 73 -19.775 8.539 0.827 563 HD3 ARG 73 HD2 ARG 73 -20.485 6.963 1.176 564 HE ARG 73 HE ARG 73 -19.034 7.749 3.418 565 HH11 ARG 73 HH11 ARG 73 -21.838 8.784 1.626 566 HH12 ARG 73 HH12 ARG 73 -22.622 9.477 3.006 567 HH21 ARG 73 HH21 ARG 73 -20.059 8.659 5.239 568 HH22 ARG 73 HH22 ARG 73 -21.611 9.407 5.059 569 H LEU 74 HN LEU 74 -15.405 4.451 -1.718 570 HA LEU 74 HA LEU 74 -16.835 4.153 -4.272 571 HB2 LEU 74 HB1 LEU 74 -14.649 3.602 -5.324 572 HB3 LEU 74 HB2 LEU 74 -14.792 5.267 -4.797 573 HG LEU 74 HG LEU 74 -13.464 3.270 -3.006 574 HD11 LEU 74 HD11 LEU 74 -12.414 2.963 -5.192 575 HD12 LEU 74 HD12 LEU 74 -11.319 3.761 -4.062 576 HD13 LEU 74 HD13 LEU 74 -12.140 4.702 -5.308 577 HD21 LEU 74 HD21 LEU 74 -13.956 5.502 -2.149 578 HD22 LEU 74 HD22 LEU 74 -13.074 6.222 -3.495 579 HD23 LEU 74 HD23 LEU 74 -12.217 5.251 -2.298 580 H GLU 75 HN GLU 75 -17.323 2.116 -4.877 581 HA GLU 75 HA GLU 75 -17.175 0.046 -2.954 582 HB2 GLU 75 HB2 GLU 75 -18.122 -1.378 -4.790 583 HB3 GLU 75 HB1 GLU 75 -19.040 0.081 -4.440 584 HG2 GLU 75 HG2 GLU 75 -18.043 1.181 -6.373 585 HG3 GLU 75 HG1 GLU 75 -17.108 -0.273 -6.720 586 H ILE 76 HN ILE 76 -15.397 -1.014 -2.438 587 HA ILE 76 HA ILE 76 -13.620 -1.907 -4.609 588 HB ILE 76 HB ILE 76 -12.923 -0.634 -2.005 589 HG12 ILE 76 HG12 ILE 76 -12.814 0.410 -4.364 590 HG13 ILE 76 HG11 ILE 76 -11.425 0.626 -3.303 591 HG21 ILE 76 HG21 ILE 76 -11.273 -2.772 -3.337 592 HG22 ILE 76 HG22 ILE 76 -11.888 -2.759 -1.685 593 HG23 ILE 76 HG23 ILE 76 -10.627 -1.622 -2.166 594 HD11 ILE 76 HD11 ILE 76 -10.206 -1.067 -4.476 595 HD12 ILE 76 HD12 ILE 76 -10.848 0.086 -5.648 596 HD13 ILE 76 HD13 ILE 76 -11.625 -1.484 -5.436 597 H GLU 77 HN GLU 77 -14.071 -3.978 -4.841 598 HA GLU 77 HA GLU 77 -14.658 -5.656 -2.542 599 HB2 GLU 77 HB1 GLU 77 -14.614 -6.267 -5.502 600 HB3 GLU 77 HB2 GLU 77 -15.081 -7.413 -4.253 601 HG2 GLU 77 HG2 GLU 77 -16.941 -5.984 -3.614 602 HG3 GLU 77 HG1 GLU 77 -16.463 -4.803 -4.832 603 H VAL 78 HN VAL 78 -13.265 -6.994 -1.599 604 HA VAL 78 HA VAL 78 -10.583 -7.227 -2.782 605 HB VAL 78 HB VAL 78 -10.072 -8.115 -0.378 606 HG11 VAL 78 HG21 VAL 78 -9.541 -5.848 0.343 607 HG12 VAL 78 HG22 VAL 78 -10.614 -5.193 -0.895 608 HG13 VAL 78 HG23 VAL 78 -9.154 -6.068 -1.364 609 HG21 VAL 78 HG11 VAL 78 -12.602 -6.562 0.061 610 HG22 VAL 78 HG12 VAL 78 -11.450 -6.980 1.329 611 HG23 VAL 78 HG13 VAL 78 -12.293 -8.254 0.449 612 H ASN 79 HN ASN 79 -10.528 -9.043 -4.027 613 HA ASN 79 HA ASN 79 -11.974 -11.393 -3.496 614 HB2 ASN 79 HB2 ASN 79 -9.334 -11.331 -4.953 615 HB3 ASN 79 HB1 ASN 79 -10.719 -12.381 -5.244 616 HD21 ASN 79 HD21 ASN 79 -9.488 -9.120 -5.549 617 HD22 ASN 79 HD22 ASN 79 -10.567 -8.626 -6.806 618 H GLY 80 HN GLY 80 -8.853 -10.223 -2.477 619 HA2 GLY 80 HA1 GLY 80 -7.507 -12.359 -1.532 620 HA3 GLY 80 HA2 GLY 80 -7.573 -10.839 -0.655 621 H ASN 81 HN ASN 81 -10.388 -10.979 -0.022 622 HA ASN 81 HA ASN 81 -10.596 -13.404 1.589 623 HB2 ASN 81 HB2 ASN 81 -10.845 -12.325 3.641 624 HB3 ASN 81 HB1 ASN 81 -9.507 -11.461 2.895 625 HD21 ASN 81 HD21 ASN 81 -9.837 -9.372 2.125 626 HD22 ASN 81 HD22 ASN 81 -11.190 -8.423 2.624 627 H GLY 82 HN GLY 82 -11.961 -11.923 -0.751 628 HA2 GLY 82 HA2 GLY 82 -14.070 -11.638 -1.547 629 HA3 GLY 82 HA1 GLY 82 -14.517 -12.876 -0.389 630 H PHE 83 HN PHE 83 -13.262 -9.717 0.612 631 HA PHE 83 HA PHE 83 -15.821 -9.270 1.938 632 HB2 PHE 83 HB2 PHE 83 -13.892 -8.956 3.334 633 HB3 PHE 83 HB1 PHE 83 -13.171 -7.847 2.175 634 HD1 PHE 83 HD1 PHE 83 -16.162 -8.247 4.343 635 HD2 PHE 83 HD2 PHE 83 -13.476 -5.570 2.416 636 HE1 PHE 83 HE1 PHE 83 -17.228 -6.353 5.498 637 HE2 PHE 83 HE2 PHE 83 -14.535 -3.670 3.567 638 HZ PHE 83 HZ PHE 83 -16.414 -4.061 5.110 639 H ARG 84 HN ARG 84 -17.315 -8.459 0.639 640 HA ARG 84 HA ARG 84 -16.639 -6.406 -1.298 641 HB2 ARG 84 HB2 ARG 84 -18.211 -8.145 -1.973 642 HB3 ARG 84 HB1 ARG 84 -19.275 -7.735 -0.634 643 HG2 ARG 84 HG1 ARG 84 -19.695 -5.550 -1.608 644 HG3 ARG 84 HG2 ARG 84 -18.582 -5.910 -2.929 645 HD2 ARG 84 HD1 ARG 84 -20.008 -7.723 -3.674 646 HD3 ARG 84 HD2 ARG 84 -21.097 -7.456 -2.314 647 HE ARG 84 HE ARG 84 -20.976 -5.053 -3.639 648 HH11 ARG 84 HH11 ARG 84 -21.883 -8.318 -4.446 649 HH12 ARG 84 HH12 ARG 84 -23.044 -7.837 -5.639 650 HH21 ARG 84 HH21 ARG 84 -22.501 -4.411 -5.204 651 HH22 ARG 84 HH22 ARG 84 -23.395 -5.615 -6.069 652 H GLY 85 HN GLY 85 -16.604 -4.346 -0.760 653 HA2 GLY 85 HA1 GLY 85 -18.699 -3.079 0.668 654 HA3 GLY 85 HA2 GLY 85 -17.324 -3.318 1.733 655 H GLU 86 HN GLU 86 -18.645 -0.891 0.537 656 HA GLU 86 HA GLU 86 -16.667 0.261 -1.205 657 HB2 GLU 86 HB2 GLU 86 -18.920 1.613 0.298 658 HB3 GLU 86 HB1 GLU 86 -17.998 2.302 -1.031 659 HG2 GLU 86 HG2 GLU 86 -18.875 0.553 -2.519 660 HG3 GLU 86 HG1 GLU 86 -19.838 -0.075 -1.183 661 H LEU 87 HN LEU 87 -14.856 1.276 -0.612 662 HA LEU 87 HA LEU 87 -14.669 2.344 2.120 663 HB2 LEU 87 HB2 LEU 87 -13.528 0.053 1.704 664 HB3 LEU 87 HB1 LEU 87 -12.339 0.980 0.809 665 HG LEU 87 HG LEU 87 -11.937 2.338 2.875 666 HD11 LEU 87 HD21 LEU 87 -13.652 0.216 4.162 667 HD12 LEU 87 HD22 LEU 87 -14.078 1.917 3.976 668 HD13 LEU 87 HD23 LEU 87 -12.726 1.455 5.009 669 HD21 LEU 87 HD11 LEU 87 -10.647 0.587 4.021 670 HD22 LEU 87 HD12 LEU 87 -10.440 0.530 2.270 671 HD23 LEU 87 HD13 LEU 87 -11.489 -0.638 3.072 672 H SER 88 HN SER 88 -12.773 3.849 2.362 673 HA SER 88 HA SER 88 -12.814 5.735 0.190 674 HB2 SER 88 HB2 SER 88 -12.875 6.526 2.509 675 HB3 SER 88 HB1 SER 88 -11.306 5.784 2.818 676 HG SER 88 HG SER 88 -10.691 7.210 0.889 677 H ALA 89 HN ALA 89 -11.032 6.461 -1.014 678 HA ALA 89 HA ALA 89 -9.295 4.522 -1.977 679 HB1 ALA 89 HB1 ALA 89 -8.915 7.513 -2.050 680 HB2 ALA 89 HB2 ALA 89 -9.853 6.565 -3.202 681 HB3 ALA 89 HB3 ALA 89 -8.108 6.339 -3.089 682 H ASP 90 HN ASP 90 -9.042 6.492 0.833 683 HA ASP 90 HA ASP 90 -6.196 6.216 1.138 684 HB2 ASP 90 HB1 ASP 90 -7.386 8.166 2.055 685 HB3 ASP 90 HB2 ASP 90 -8.298 7.106 3.126 686 H ALA 91 HN ALA 91 -9.006 4.974 2.958 687 HA ALA 91 HA ALA 91 -7.492 3.163 4.522 688 HB1 ALA 91 HB1 ALA 91 -10.438 3.108 3.875 689 HB2 ALA 91 HB2 ALA 91 -9.689 3.965 5.222 690 HB3 ALA 91 HB3 ALA 91 -9.645 2.202 5.164 691 H ALA 92 HN ALA 92 -8.421 3.066 1.269 692 HA ALA 92 HA ALA 92 -8.380 0.148 1.140 693 HB1 ALA 92 HB1 ALA 92 -10.130 1.326 -0.113 694 HB2 ALA 92 HB2 ALA 92 -9.057 0.425 -1.185 695 HB3 ALA 92 HB3 ALA 92 -8.891 2.174 -1.037 696 H GLY 93 HN GLY 93 -6.532 2.989 0.251 697 HA2 GLY 93 HA2 GLY 93 -4.649 1.756 -1.439 698 HA3 GLY 93 HA1 GLY 93 -4.375 3.224 -0.504 699 H ILE 94 HN ILE 94 -5.177 1.542 1.924 700 HA ILE 94 HA ILE 94 -2.548 0.904 2.781 701 HB ILE 94 HB ILE 94 -4.961 -0.256 4.122 702 HG12 ILE 94 HG12 ILE 94 -5.691 1.997 3.569 703 HG13 ILE 94 HG11 ILE 94 -5.342 1.894 5.291 704 HG21 ILE 94 HG21 ILE 94 -3.689 0.339 6.149 705 HG22 ILE 94 HG22 ILE 94 -2.404 0.982 5.126 706 HG23 ILE 94 HG23 ILE 94 -2.799 -0.737 5.071 707 HD11 ILE 94 HD11 ILE 94 -3.415 2.999 3.273 708 HD12 ILE 94 HD12 ILE 94 -3.310 3.087 5.033 709 HD13 ILE 94 HD13 ILE 94 -4.569 3.978 4.176 710 H VAL 95 HN VAL 95 -5.293 -0.965 1.636 711 HA VAL 95 HA VAL 95 -4.015 -3.512 2.005 712 HB VAL 95 HB VAL 95 -6.514 -2.823 0.453 713 HG11 VAL 95 HG11 VAL 95 -5.498 -5.456 1.509 714 HG12 VAL 95 HG12 VAL 95 -5.626 -4.981 -0.184 715 HG13 VAL 95 HG13 VAL 95 -7.085 -5.194 0.786 716 HG21 VAL 95 HG21 VAL 95 -6.680 -2.130 2.787 717 HG22 VAL 95 HG22 VAL 95 -6.212 -3.748 3.306 718 HG23 VAL 95 HG23 VAL 95 -7.735 -3.502 2.453 719 H ALA 96 HN ALA 96 -4.211 -1.135 -0.523 720 HA ALA 96 HA ALA 96 -3.646 -2.884 -2.701 721 HB1 ALA 96 HB1 ALA 96 -3.254 0.098 -2.482 722 HB2 ALA 96 HB2 ALA 96 -4.725 -0.714 -3.018 723 HB3 ALA 96 HB3 ALA 96 -3.247 -0.845 -3.973 724 H THR 97 HN THR 97 -1.635 -0.657 -0.781 725 HA THR 97 HA THR 97 0.775 -1.380 -2.141 726 HB THR 97 HB THR 97 0.621 0.817 -1.146 727 HG1 THR 97 HG1 THR 97 2.480 -0.157 0.614 728 HG21 THR 97 HG21 THR 97 0.487 -0.553 1.540 729 HG22 THR 97 HG22 THR 97 -0.888 0.191 0.726 730 HG23 THR 97 HG23 THR 97 0.477 1.184 1.236 731 H LEU 98 HN LEU 98 -0.723 -2.271 0.941 732 HA LEU 98 HA LEU 98 1.337 -3.712 2.089 733 HB2 LEU 98 HB2 LEU 98 -1.631 -3.881 2.237 734 HB3 LEU 98 HB1 LEU 98 -0.698 -5.189 2.936 735 HG LEU 98 HG LEU 98 -0.451 -2.275 3.693 736 HD11 LEU 98 HD11 LEU 98 -2.567 -3.196 4.427 737 HD12 LEU 98 HD12 LEU 98 -1.487 -2.985 5.806 738 HD13 LEU 98 HD13 LEU 98 -1.744 -4.591 5.125 739 HD21 LEU 98 HD21 LEU 98 0.822 -4.739 4.874 740 HD22 LEU 98 HD22 LEU 98 0.940 -3.106 5.528 741 HD23 LEU 98 HD23 LEU 98 1.647 -3.481 3.956 742 H PHE 99 HN PHE 99 -1.147 -4.914 -0.169 743 HA PHE 99 HA PHE 99 -0.224 -7.571 -0.226 744 HB2 PHE 99 HB1 PHE 99 -2.034 -5.915 -1.896 745 HB3 PHE 99 HB2 PHE 99 -1.391 -7.380 -2.633 746 HD1 PHE 99 HD2 PHE 99 -3.472 -6.050 0.090 747 HD2 PHE 99 HD1 PHE 99 -2.076 -9.543 -1.903 748 HE1 PHE 99 HE2 PHE 99 -5.172 -7.393 1.255 749 HE2 PHE 99 HE1 PHE 99 -3.773 -10.890 -0.739 750 HZ PHE 99 HZ PHE 99 -5.324 -9.815 0.843 751 H ALA 100 HN ALA 100 0.693 -4.724 -2.075 752 HA ALA 100 HA ALA 100 2.177 -5.938 -4.096 753 HB1 ALA 100 HB1 ALA 100 1.620 -3.562 -4.100 754 HB2 ALA 100 HB2 ALA 100 3.356 -3.804 -4.294 755 HB3 ALA 100 HB3 ALA 100 2.705 -3.297 -2.736 756 H LEU 101 HN LEU 101 3.157 -4.923 -0.843 757 HA LEU 101 HA LEU 101 5.871 -5.539 -0.997 758 HB2 LEU 101 HB2 LEU 101 3.942 -5.612 1.314 759 HB3 LEU 101 HB1 LEU 101 5.660 -5.894 1.512 760 HG LEU 101 HG LEU 101 4.515 -3.356 0.350 761 HD11 LEU 101 HD11 LEU 101 5.388 -3.937 3.179 762 HD12 LEU 101 HD12 LEU 101 3.739 -3.614 2.641 763 HD13 LEU 101 HD13 LEU 101 4.963 -2.349 2.539 764 HD21 LEU 101 HD21 LEU 101 6.757 -2.475 0.903 765 HD22 LEU 101 HD22 LEU 101 6.800 -3.762 -0.302 766 HD23 LEU 101 HD23 LEU 101 7.252 -4.102 1.368 767 H GLY 102 HN GLY 102 3.094 -7.570 -0.240 768 HA2 GLY 102 HA2 GLY 102 4.530 -9.884 0.511 769 HA3 GLY 102 HA1 GLY 102 2.860 -9.844 -0.033 770 H GLN 103 HN GLN 103 3.497 -8.669 -2.625 771 HA GLN 103 HA GLN 103 4.068 -11.102 -4.019 772 HB2 GLN 103 HB1 GLN 103 2.453 -9.340 -4.801 773 HB3 GLN 103 HB2 GLN 103 3.837 -8.325 -5.186 774 HG2 GLN 103 HG1 GLN 103 4.595 -9.857 -6.844 775 HG3 GLN 103 HG2 GLN 103 3.410 -11.064 -6.350 776 HE21 GLN 103 HE22 GLN 103 3.962 -8.149 -8.120 777 HE22 GLN 103 HE21 GLN 103 2.418 -8.073 -8.891 778 H LEU 104 HN LEU 104 5.747 -7.987 -3.674 779 HA LEU 104 HA LEU 104 7.948 -8.515 -5.287 780 HB2 LEU 104 HB1 LEU 104 7.576 -6.801 -2.851 781 HB3 LEU 104 HB2 LEU 104 9.142 -6.924 -3.628 782 HG LEU 104 HG LEU 104 6.645 -6.045 -5.073 783 HD11 LEU 104 HD21 LEU 104 7.559 -3.759 -4.854 784 HD12 LEU 104 HD22 LEU 104 8.771 -4.382 -3.734 785 HD13 LEU 104 HD23 LEU 104 7.059 -4.458 -3.314 786 HD21 LEU 104 HD11 LEU 104 8.215 -5.198 -6.724 787 HD22 LEU 104 HD12 LEU 104 8.442 -6.930 -6.480 788 HD23 LEU 104 HD13 LEU 104 9.568 -5.783 -5.757 789 H ALA 105 HN ALA 105 7.363 -9.330 -1.912 790 HA ALA 105 HA ALA 105 9.953 -10.353 -1.371 791 HB1 ALA 105 HB1 ALA 105 8.919 -11.358 0.613 792 HB2 ALA 105 HB2 ALA 105 7.323 -10.958 -0.020 793 HB3 ALA 105 HB3 ALA 105 8.447 -9.671 0.415 794 H ALA 106 HN ALA 106 7.044 -11.720 -2.749 795 HA ALA 106 HA ALA 106 7.921 -14.448 -2.565 796 HB1 ALA 106 HB1 ALA 106 5.550 -13.924 -2.558 797 HB2 ALA 106 HB2 ALA 106 5.949 -14.941 -3.943 798 HB3 ALA 106 HB3 ALA 106 5.684 -13.213 -4.166 799 H GLU 107 HN GLU 107 8.402 -11.849 -4.777 800 HA GLU 107 HA GLU 107 8.903 -13.370 -7.113 801 HB2 GLU 107 HB2 GLU 107 9.644 -10.579 -6.259 802 HB3 GLU 107 HB1 GLU 107 10.106 -11.236 -7.820 803 HG2 GLU 107 HG1 GLU 107 7.740 -11.606 -8.352 804 HG3 GLU 107 HG2 GLU 107 7.298 -10.896 -6.799 805 H ILE 108 HN ILE 108 11.074 -11.871 -4.721 806 HA ILE 108 HA ILE 108 13.429 -13.000 -5.892 807 HB ILE 108 HB ILE 108 14.553 -12.214 -3.803 808 HG12 ILE 108 HG12 ILE 108 11.797 -11.159 -3.132 809 HG13 ILE 108 HG11 ILE 108 12.605 -12.483 -2.300 810 HG21 ILE 108 HG21 ILE 108 14.295 -9.838 -4.303 811 HG22 ILE 108 HG22 ILE 108 12.828 -10.186 -5.217 812 HG23 ILE 108 HG23 ILE 108 14.383 -10.796 -5.781 813 HD11 ILE 108 HD11 ILE 108 13.555 -9.632 -2.407 814 HD12 ILE 108 HD12 ILE 108 14.356 -10.960 -1.567 815 HD13 ILE 108 HD13 ILE 108 12.763 -10.416 -1.040 816 H ALA 109 HN ALA 109 14.889 -14.473 -4.769 817 HA ALA 109 HA ALA 109 13.779 -16.919 -4.168 818 HB1 ALA 109 HB1 ALA 109 15.944 -17.593 -3.374 819 HB2 ALA 109 HB2 ALA 109 16.412 -15.916 -3.097 820 HB3 ALA 109 HB3 ALA 109 16.161 -16.501 -4.742 821 H ASP 110 HN ASP 110 13.062 -17.954 -2.377 822 HA ASP 110 HA ASP 110 12.638 -16.311 0.005 823 HB2 ASP 110 HB1 ASP 110 10.975 -17.989 0.639 824 HB3 ASP 110 HB2 ASP 110 10.680 -17.414 -1.000 825 H THR 111 HN THR 111 15.162 -17.855 -0.848 826 HA THR 111 HA THR 111 15.464 -19.790 1.286 827 HB THR 111 HB THR 111 17.753 -20.090 0.417 828 HG1 THR 111 HG1 THR 111 17.078 -17.766 -0.949 829 HG21 THR 111 HG21 THR 111 15.675 -20.082 -1.775 830 HG22 THR 111 HG22 THR 111 15.866 -21.348 -0.563 831 HG23 THR 111 HG23 THR 111 17.151 -21.046 -1.732 832 H ASP 112 HN ASP 112 17.071 -16.745 0.353 833 HA ASP 112 HA ASP 112 17.949 -16.459 3.152 834 HB2 ASP 112 HB1 ASP 112 19.797 -16.645 1.528 835 HB3 ASP 112 HB2 ASP 112 19.168 -15.249 0.659 836 H ALA 113 HN ALA 113 16.663 -14.723 0.349 837 HA ALA 113 HA ALA 113 16.098 -12.381 1.997 838 HB1 ALA 113 HB1 ALA 113 17.078 -12.057 -0.228 839 HB2 ALA 113 HB2 ALA 113 15.495 -11.292 -0.093 840 HB3 ALA 113 HB3 ALA 113 15.664 -12.821 -0.956 841 H ALA 114 HN ALA 114 13.801 -11.667 0.257 842 HA ALA 114 HA ALA 114 11.530 -11.823 0.221 843 HB1 ALA 114 HB1 ALA 114 11.908 -14.032 -0.735 844 HB2 ALA 114 HB2 ALA 114 10.500 -14.037 0.327 845 HB3 ALA 114 HB3 ALA 114 12.028 -14.720 0.884 846 H ASP 115 HN ASP 115 13.346 -12.156 2.916 847 HA ASP 115 HA ASP 115 10.996 -11.966 4.675 848 HB2 ASP 115 HB2 ASP 115 12.119 -14.135 5.007 849 HB3 ASP 115 HB1 ASP 115 13.634 -13.299 5.337 850 H ALA 116 HN ALA 116 13.719 -10.467 3.448 851 HA ALA 116 HA ALA 116 14.331 -8.906 5.813 852 HB1 ALA 116 HB1 ALA 116 16.019 -7.833 4.419 853 HB2 ALA 116 HB2 ALA 116 15.396 -8.675 2.999 854 HB3 ALA 116 HB3 ALA 116 16.141 -9.588 4.311 855 H LEU 117 HN LEU 117 13.172 -8.230 2.497 856 HA LEU 117 HA LEU 117 12.522 -5.541 2.999 857 HB2 LEU 117 HB2 LEU 117 11.529 -5.503 0.877 858 HB3 LEU 117 HB1 LEU 117 12.817 -6.680 0.743 859 HG LEU 117 HG LEU 117 11.035 -7.614 -0.439 860 HD11 LEU 117 HD11 LEU 117 12.094 -9.184 1.131 861 HD12 LEU 117 HD12 LEU 117 10.421 -9.602 0.762 862 HD13 LEU 117 HD13 LEU 117 10.820 -8.838 2.299 863 HD21 LEU 117 HD21 LEU 117 9.285 -6.100 0.291 864 HD22 LEU 117 HD22 LEU 117 9.217 -6.909 1.857 865 HD23 LEU 117 HD23 LEU 117 8.746 -7.776 0.394 866 H ILE 118 HN ILE 118 11.050 -8.409 3.991 867 HA ILE 118 HA ILE 118 8.341 -7.585 4.078 868 HB ILE 118 HB ILE 118 9.890 -9.717 5.539 869 HG12 ILE 118 HG12 ILE 118 9.427 -10.069 3.149 870 HG13 ILE 118 HG11 ILE 118 8.563 -11.230 4.151 871 HG21 ILE 118 HG21 ILE 118 6.919 -9.245 5.744 872 HG22 ILE 118 HG22 ILE 118 8.090 -8.877 7.010 873 HG23 ILE 118 HG23 ILE 118 7.839 -10.548 6.498 874 HD11 ILE 118 HD11 ILE 118 7.368 -8.755 2.930 875 HD12 ILE 118 HD12 ILE 118 6.513 -9.966 3.884 876 HD13 ILE 118 HD13 ILE 118 7.192 -10.397 2.314 877 H ASP 119 HN ASP 119 11.086 -6.751 5.867 878 HA ASP 119 HA ASP 119 10.169 -6.263 8.429 879 HB2 ASP 119 HB2 ASP 119 12.523 -5.947 7.263 880 HB3 ASP 119 HB1 ASP 119 11.987 -4.277 7.141 881 H ARG 120 HN ARG 120 9.992 -4.165 5.573 882 HA ARG 120 HA ARG 120 8.786 -2.000 7.000 883 HB2 ARG 120 HB1 ARG 120 8.134 -1.278 4.573 884 HB3 ARG 120 HB2 ARG 120 9.807 -1.209 5.102 885 HG2 ARG 120 HG2 ARG 120 9.049 -3.755 3.888 886 HG3 ARG 120 HG1 ARG 120 8.933 -2.364 2.806 887 HD2 ARG 120 HD1 ARG 120 11.268 -1.748 3.599 888 HD3 ARG 120 HD2 ARG 120 11.338 -3.359 4.312 889 HE ARG 120 HE ARG 120 10.630 -3.847 1.747 890 HH11 ARG 120 HH11 ARG 120 13.211 -2.025 3.219 891 HH12 ARG 120 HH12 ARG 120 14.315 -2.286 1.911 892 HH21 ARG 120 HH21 ARG 120 12.079 -4.193 0.018 893 HH22 ARG 120 HH22 ARG 120 13.671 -3.518 0.092 894 H TYR 121 HN TYR 121 7.553 -4.794 5.313 895 HA TYR 121 HA TYR 121 4.889 -3.993 4.989 896 HB2 TYR 121 HB2 TYR 121 5.721 -6.006 3.921 897 HB3 TYR 121 HB1 TYR 121 6.052 -6.745 5.484 898 HD1 TYR 121 HD2 TYR 121 4.116 -7.386 6.963 899 HD2 TYR 121 HD1 TYR 121 3.584 -6.153 2.929 900 HE1 TYR 121 HE2 TYR 121 1.880 -8.408 6.951 901 HE2 TYR 121 HE1 TYR 121 1.347 -7.169 2.905 902 HH TYR 121 HH TYR 121 0.130 -8.968 4.132 903 H HIS 122 HN HIS 122 6.486 -5.628 7.711 904 HA HIS 122 HA HIS 122 4.222 -5.957 9.323 905 HB2 HIS 122 HB1 HIS 122 7.136 -5.626 10.034 906 HB3 HIS 122 HB2 HIS 122 5.894 -5.964 11.235 907 HD1 HIS 122 HD1 HIS 122 4.665 -8.305 11.013 908 HD2 HIS 122 HD2 HIS 122 8.024 -7.804 8.620 909 HE1 HIS 122 HE1 HIS 122 5.301 -10.617 10.256 910 HE2 HIS 122 HE2 HIS 122 7.358 -10.295 8.838 911 H PHE 123 HN PHE 123 6.437 -3.237 8.965 912 HA PHE 123 HA PHE 123 5.497 -1.684 11.106 913 HB2 PHE 123 HB1 PHE 123 6.682 -0.788 8.468 914 HB3 PHE 123 HB2 PHE 123 6.480 0.238 9.884 915 HD1 PHE 123 HD2 PHE 123 7.309 -1.694 12.011 916 HD2 PHE 123 HD1 PHE 123 8.998 -0.812 8.206 917 HE1 PHE 123 HE2 PHE 123 9.520 -2.392 12.834 918 HE2 PHE 123 HE1 PHE 123 11.211 -1.508 9.022 919 HZ PHE 123 HZ PHE 123 11.475 -2.299 11.339 920 H LEU 124 HN LEU 124 4.646 -1.548 7.653 921 HA LEU 124 HA LEU 124 2.641 0.371 7.802 922 HB2 LEU 124 HB2 LEU 124 3.767 -0.956 5.798 923 HB3 LEU 124 HB1 LEU 124 2.333 -1.949 5.950 924 HG LEU 124 HG LEU 124 2.422 1.003 5.335 925 HD11 LEU 124 HD21 LEU 124 1.431 0.297 3.198 926 HD12 LEU 124 HD22 LEU 124 1.602 -1.387 3.694 927 HD13 LEU 124 HD23 LEU 124 3.035 -0.389 3.454 928 HD21 LEU 124 HD11 LEU 124 0.000 0.878 5.112 929 HD22 LEU 124 HD12 LEU 124 0.499 0.472 6.754 930 HD23 LEU 124 HD13 LEU 124 0.028 -0.806 5.633 931 H ARG 125 HN ARG 125 2.349 -3.162 7.883 932 HA ARG 125 HA ARG 125 -0.345 -3.476 8.175 933 HB2 ARG 125 HB2 ARG 125 1.335 -5.299 7.968 934 HB3 ARG 125 HB1 ARG 125 1.754 -5.061 9.659 935 HG2 ARG 125 HG2 ARG 125 -0.533 -5.655 10.303 936 HG3 ARG 125 HG1 ARG 125 -0.930 -5.924 8.603 937 HD2 ARG 125 HD1 ARG 125 0.818 -7.657 8.496 938 HD3 ARG 125 HD2 ARG 125 1.138 -7.416 10.214 939 HE ARG 125 HE ARG 125 -1.601 -8.063 9.598 940 HH11 ARG 125 HH11 ARG 125 1.563 -9.316 10.344 941 HH12 ARG 125 HH12 ARG 125 0.966 -10.832 10.930 942 HH21 ARG 125 HH21 ARG 125 -2.396 -10.058 10.366 943 HH22 ARG 125 HH22 ARG 125 -1.284 -11.255 10.941 944 H GLY 126 HN GLY 126 1.908 -2.302 10.592 945 HA2 GLY 126 HA2 GLY 126 0.005 -2.618 12.750 946 HA3 GLY 126 HA1 GLY 126 1.602 -1.897 12.860 947 H PHE 127 HN PHE 127 0.962 -0.084 10.535 948 HA PHE 127 HA PHE 127 -0.045 2.073 12.103 949 HB2 PHE 127 HB1 PHE 127 1.613 2.510 10.400 950 HB3 PHE 127 HB2 PHE 127 0.561 1.853 9.150 951 HD1 PHE 127 HD1 PHE 127 0.391 4.456 11.825 952 HD2 PHE 127 HD2 PHE 127 -0.477 3.375 7.802 953 HE1 PHE 127 HE1 PHE 127 -0.538 6.698 11.428 954 HE2 PHE 127 HE2 PHE 127 -1.406 5.617 7.396 955 HZ PHE 127 HZ PHE 127 -1.438 7.282 9.211 956 H ALA 128 HN ALA 128 -1.417 -0.096 9.729 957 HA ALA 128 HA ALA 128 -3.784 1.344 9.202 958 HB1 ALA 128 HB1 ALA 128 -4.623 -0.728 8.264 959 HB2 ALA 128 HB2 ALA 128 -3.320 -1.630 9.038 960 HB3 ALA 128 HB3 ALA 128 -2.953 -0.464 7.766 961 H ALA 129 HN ALA 129 -2.734 -0.237 11.994 962 HA ALA 129 HA ALA 129 -5.329 -1.087 12.924 963 HB1 ALA 129 HB1 ALA 129 -4.157 -1.606 15.020 964 HB2 ALA 129 HB2 ALA 129 -2.696 -0.852 14.381 965 HB3 ALA 129 HB3 ALA 129 -3.343 -2.306 13.622 966 H GLY 130 HN GLY 130 -3.368 1.758 13.055 967 HA2 GLY 130 HA1 GLY 130 -4.769 2.938 15.292 968 HA3 GLY 130 HA2 GLY 130 -3.569 3.725 14.275 969 H HIS 131 HN HIS 131 -5.565 2.413 12.123 970 HA HIS 131 HA HIS 131 -6.912 4.909 11.609 971 HB2 HIS 131 HB2 HIS 131 -6.494 2.346 10.148 972 HB3 HIS 131 HB1 HIS 131 -7.884 3.329 9.690 973 HD1 HIS 131 HD1 HIS 131 -7.349 5.737 8.743 974 HD2 HIS 131 HD2 HIS 131 -4.052 3.263 9.267 975 HE1 HIS 131 HE1 HIS 131 -5.488 6.811 7.437 976 HE2 HIS 131 HE2 HIS 131 -3.509 5.282 7.746 977 HA PRO 132 HA PRO 132 -10.732 4.031 13.646 978 HB2 PRO 132 HB2 PRO 132 -12.444 5.340 11.929 979 HB3 PRO 132 HB1 PRO 132 -11.494 6.131 13.190 980 HG2 PRO 132 HG2 PRO 132 -10.934 5.889 10.262 981 HG3 PRO 132 HG1 PRO 132 -10.701 7.280 11.337 982 HD2 PRO 132 HD1 PRO 132 -8.645 5.730 10.575 983 HD3 PRO 132 HD2 PRO 132 -8.722 6.437 12.202 984 H GLU 133 HN GLU 133 -10.508 3.493 10.162 985 HA GLU 133 HA GLU 133 -12.679 1.536 10.299 986 HB2 GLU 133 HB2 GLU 133 -12.464 1.478 7.812 987 HB3 GLU 133 HB1 GLU 133 -12.872 3.060 8.455 988 HG2 GLU 133 HG1 GLU 133 -10.061 2.265 7.771 989 HG3 GLU 133 HG2 GLU 133 -11.163 2.991 6.602 990 H ALA 134 HN ALA 134 -9.769 1.314 11.260 991 HA ALA 134 HA ALA 134 -8.188 -0.394 9.913 992 HB1 ALA 134 HB1 ALA 134 -8.887 -0.672 12.834 993 HB2 ALA 134 HB2 ALA 134 -7.693 0.437 12.159 994 HB3 ALA 134 HB3 ALA 134 -7.442 -1.305 12.045 995 H ALA 135 HN ALA 135 -11.172 -1.293 11.589 996 HA ALA 135 HA ALA 135 -11.020 -4.033 11.491 997 HB1 ALA 135 HB1 ALA 135 -12.822 -2.795 12.597 998 HB2 ALA 135 HB2 ALA 135 -13.450 -4.054 11.534 999 HB3 ALA 135 HB3 ALA 135 -13.489 -2.367 11.021 1000 H ALA 136 HN ALA 136 -12.158 -1.844 8.938 1001 HA ALA 136 HA ALA 136 -12.762 -3.937 7.102 1002 HB1 ALA 136 HB1 ALA 136 -12.254 -1.025 6.514 1003 HB2 ALA 136 HB2 ALA 136 -13.804 -1.702 7.014 1004 HB3 ALA 136 HB3 ALA 136 -13.087 -2.183 5.476 1005 H ILE 137 HN ILE 137 -9.960 -1.842 7.592 1006 HA ILE 137 HA ILE 137 -8.548 -2.561 5.279 1007 HB ILE 137 HB ILE 137 -7.518 -1.572 7.932 1008 HG12 ILE 137 HG12 ILE 137 -7.984 -0.083 5.341 1009 HG13 ILE 137 HG11 ILE 137 -9.131 -0.109 6.676 1010 HG21 ILE 137 HG21 ILE 137 -5.506 -0.901 6.647 1011 HG22 ILE 137 HG22 ILE 137 -6.131 -1.802 5.265 1012 HG23 ILE 137 HG23 ILE 137 -5.717 -2.649 6.756 1013 HD11 ILE 137 HD11 ILE 137 -7.471 0.943 8.119 1014 HD12 ILE 137 HD12 ILE 137 -7.814 1.921 6.692 1015 HD13 ILE 137 HD13 ILE 137 -6.328 0.976 6.776 1016 H TYR 138 HN TYR 138 -8.134 -3.814 8.623 1017 HA TYR 138 HA TYR 138 -6.102 -5.635 7.904 1018 HB2 TYR 138 HB1 TYR 138 -6.053 -6.239 10.101 1019 HB3 TYR 138 HB2 TYR 138 -6.943 -4.731 10.265 1020 HD1 TYR 138 HD2 TYR 138 -9.405 -4.782 10.594 1021 HD2 TYR 138 HD1 TYR 138 -7.061 -8.331 10.625 1022 HE1 TYR 138 HE2 TYR 138 -11.246 -5.981 11.701 1023 HE2 TYR 138 HE1 TYR 138 -8.894 -9.541 11.731 1024 HH TYR 138 HH TYR 138 -10.857 -9.054 13.107 1025 H ARG 139 HN ARG 139 -9.611 -5.928 8.019 1026 HA ARG 139 HA ARG 139 -9.608 -8.761 7.621 1027 HB2 ARG 139 HB2 ARG 139 -11.957 -8.612 7.421 1028 HB3 ARG 139 HB1 ARG 139 -11.517 -7.379 8.594 1029 HG2 ARG 139 HG2 ARG 139 -11.738 -5.652 6.922 1030 HG3 ARG 139 HG1 ARG 139 -12.067 -6.862 5.679 1031 HD2 ARG 139 HD2 ARG 139 -13.769 -6.167 8.065 1032 HD3 ARG 139 HD1 ARG 139 -14.155 -5.923 6.362 1033 HE ARG 139 HE ARG 139 -13.737 -8.629 6.659 1034 HH11 ARG 139 HH11 ARG 139 -15.904 -6.238 7.974 1035 HH12 ARG 139 HH12 ARG 139 -17.195 -7.362 8.230 1036 HH21 ARG 139 HH21 ARG 139 -15.432 -10.116 6.994 1037 HH22 ARG 139 HH22 ARG 139 -16.928 -9.567 7.673 1038 H ALA 140 HN ALA 140 -9.527 -5.946 5.599 1039 HA ALA 140 HA ALA 140 -10.220 -7.152 3.146 1040 HB1 ALA 140 HB1 ALA 140 -8.468 -4.747 3.634 1041 HB2 ALA 140 HB2 ALA 140 -10.224 -4.730 3.472 1042 HB3 ALA 140 HB3 ALA 140 -9.216 -5.192 2.101 1043 H ILE 141 HN ILE 141 -7.198 -6.845 4.900 1044 HA ILE 141 HA ILE 141 -5.702 -8.099 2.734 1045 HB ILE 141 HB ILE 141 -3.719 -7.703 4.082 1046 HG12 ILE 141 HG12 ILE 141 -5.585 -6.543 6.165 1047 HG13 ILE 141 HG11 ILE 141 -4.814 -8.122 6.289 1048 HG21 ILE 141 HG21 ILE 141 -3.787 -5.251 4.154 1049 HG22 ILE 141 HG22 ILE 141 -5.543 -5.303 3.992 1050 HG23 ILE 141 HG23 ILE 141 -4.518 -5.887 2.680 1051 HD11 ILE 141 HD11 ILE 141 -3.409 -5.466 6.177 1052 HD12 ILE 141 HD12 ILE 141 -2.622 -7.041 6.265 1053 HD13 ILE 141 HD13 ILE 141 -3.626 -6.482 7.603 1054 H ASP 142 HN ASP 142 -7.419 -9.005 5.500 1055 HA ASP 142 HA ASP 142 -5.831 -11.280 6.237 1056 HB2 ASP 142 HB1 ASP 142 -7.268 -10.163 7.879 1057 HB3 ASP 142 HB2 ASP 142 -8.692 -10.580 6.931 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -14.562 -1.654 24.814 2 H2 MET 1 HT2 MET 1 -15.432 -0.422 25.578 3 H3 MET 1 HT3 MET 1 -13.991 -0.985 26.259 4 HA MET 1 HA MET 1 -14.245 0.429 23.669 5 HB2 MET 1 HB2 MET 1 -13.021 1.368 26.272 6 HB3 MET 1 HB1 MET 1 -13.134 2.290 24.778 7 HG2 MET 1 HG1 MET 1 -15.446 1.362 26.466 8 HG3 MET 1 HG2 MET 1 -14.805 3.002 26.387 9 HE1 MET 1 HE1 MET 1 -18.270 3.325 24.580 10 HE2 MET 1 HE2 MET 1 -17.242 3.936 25.877 11 HE3 MET 1 HE3 MET 1 -17.886 2.295 25.961 12 H ASN 2 HN ASN 2 -12.027 1.262 23.006 13 HA ASN 2 HA ASN 2 -10.118 -0.953 23.268 14 HB2 ASN 2 HB1 ASN 2 -10.302 1.230 21.181 15 HB3 ASN 2 HB2 ASN 2 -9.105 -0.061 21.195 16 HD21 ASN 2 HD21 ASN 2 -12.452 0.743 20.712 17 HD22 ASN 2 HD22 ASN 2 -12.901 -0.732 19.933 18 H THR 3 HN THR 3 -8.084 -0.661 24.030 19 HA THR 3 HA THR 3 -7.350 2.066 24.873 20 HB THR 3 HB THR 3 -7.872 0.725 26.831 21 HG1 THR 3 HG1 THR 3 -6.049 1.259 27.904 22 HG21 THR 3 HG21 THR 3 -5.753 -1.183 25.830 23 HG22 THR 3 HG22 THR 3 -7.487 -1.498 25.876 24 HG23 THR 3 HG23 THR 3 -6.590 -1.289 27.379 25 H GLU 4 HN GLU 4 -6.614 -0.320 22.756 26 HA GLU 4 HA GLU 4 -3.776 -0.422 22.945 27 HB2 GLU 4 HB2 GLU 4 -3.938 -1.347 20.603 28 HB3 GLU 4 HB1 GLU 4 -4.852 -2.220 21.824 29 HG2 GLU 4 HG2 GLU 4 -6.233 -2.088 19.924 30 HG3 GLU 4 HG1 GLU 4 -6.875 -0.927 21.085 31 H GLU 5 HN GLU 5 -2.289 0.397 21.277 32 HA GLU 5 HA GLU 5 -3.163 2.747 19.808 33 HB2 GLU 5 HB1 GLU 5 -1.158 2.861 22.056 34 HB3 GLU 5 HB2 GLU 5 -1.226 4.078 20.790 35 HG2 GLU 5 HG1 GLU 5 -3.568 4.544 21.413 36 HG3 GLU 5 HG2 GLU 5 -3.412 3.391 22.740 37 H GLN 6 HN GLN 6 -1.323 3.688 18.525 38 HA GLN 6 HA GLN 6 0.835 1.825 17.944 39 HB2 GLN 6 HB1 GLN 6 0.260 2.139 15.434 40 HB3 GLN 6 HB2 GLN 6 -0.627 0.945 16.368 41 HG2 GLN 6 HG1 GLN 6 -2.391 1.922 15.372 42 HG3 GLN 6 HG2 GLN 6 -2.245 3.031 16.733 43 HE21 GLN 6 HE21 GLN 6 -0.095 2.879 13.952 44 HE22 GLN 6 HE22 GLN 6 -0.497 4.436 13.328 45 HA PRO 7 HA PRO 7 2.463 6.062 17.998 46 HB2 PRO 7 HB2 PRO 7 5.004 4.581 18.122 47 HB3 PRO 7 HB1 PRO 7 4.389 5.837 19.202 48 HG2 PRO 7 HG1 PRO 7 4.488 3.283 19.978 49 HG3 PRO 7 HG2 PRO 7 3.135 4.331 20.446 50 HD2 PRO 7 HD1 PRO 7 3.264 2.250 18.291 51 HD3 PRO 7 HD2 PRO 7 1.963 2.586 19.454 52 H VAL 8 HN VAL 8 2.447 3.798 15.705 53 HA VAL 8 HA VAL 8 4.498 4.936 13.991 54 HB VAL 8 HB VAL 8 4.301 2.558 13.875 55 HG11 VAL 8 HG21 VAL 8 1.404 2.979 13.166 56 HG12 VAL 8 HG22 VAL 8 2.025 2.303 14.672 57 HG13 VAL 8 HG23 VAL 8 2.245 1.429 13.155 58 HG21 VAL 8 HG11 VAL 8 4.834 3.651 11.779 59 HG22 VAL 8 HG12 VAL 8 3.117 3.809 11.404 60 HG23 VAL 8 HG13 VAL 8 3.858 2.211 11.483 61 H THR 9 HN THR 9 4.152 6.472 12.538 62 HA THR 9 HA THR 9 1.511 6.813 11.346 63 HB THR 9 HB THR 9 1.498 9.243 11.753 64 HG1 THR 9 HG1 THR 9 3.475 8.887 13.737 65 HG21 THR 9 HG21 THR 9 0.894 9.172 14.141 66 HG22 THR 9 HG22 THR 9 1.632 7.576 14.268 67 HG23 THR 9 HG23 THR 9 0.215 7.812 13.247 68 H ALA 10 HN ALA 10 1.566 7.583 9.288 69 HA ALA 10 HA ALA 10 4.187 7.828 8.061 70 HB1 ALA 10 HB1 ALA 10 2.996 7.725 5.945 71 HB2 ALA 10 HB2 ALA 10 1.452 7.840 6.789 72 HB3 ALA 10 HB3 ALA 10 2.475 6.420 7.010 73 H SER 11 HN SER 11 3.842 9.490 5.982 74 HA SER 11 HA SER 11 2.697 12.005 6.779 75 HB2 SER 11 HB2 SER 11 4.783 12.044 8.083 76 HB3 SER 11 HB1 SER 11 5.710 11.769 6.608 77 HG SER 11 HG SER 11 5.094 14.066 7.575 78 H LEU 12 HN LEU 12 2.528 13.466 5.084 79 HA LEU 12 HA LEU 12 2.820 12.304 2.461 80 HB2 LEU 12 HB2 LEU 12 0.853 13.697 3.234 81 HB3 LEU 12 HB1 LEU 12 1.907 15.094 3.135 82 HG LEU 12 HG LEU 12 2.232 14.638 0.716 83 HD11 LEU 12 HD21 LEU 12 0.763 13.049 -0.406 84 HD12 LEU 12 HD22 LEU 12 0.113 12.537 1.152 85 HD13 LEU 12 HD23 LEU 12 1.805 12.232 0.759 86 HD21 LEU 12 HD11 LEU 12 0.010 15.371 0.015 87 HD22 LEU 12 HD12 LEU 12 0.548 16.232 1.457 88 HD23 LEU 12 HD13 LEU 12 -0.636 14.933 1.596 89 H VAL 13 HN VAL 13 4.617 12.432 1.321 90 HA VAL 13 HA VAL 13 6.709 14.290 2.004 91 HB VAL 13 HB VAL 13 6.631 12.412 -0.356 92 HG11 VAL 13 HG11 VAL 13 8.923 13.670 1.148 93 HG12 VAL 13 HG12 VAL 13 8.375 14.103 -0.470 94 HG13 VAL 13 HG13 VAL 13 9.076 12.513 -0.173 95 HG21 VAL 13 HG21 VAL 13 6.194 11.154 1.680 96 HG22 VAL 13 HG22 VAL 13 7.605 11.881 2.447 97 HG23 VAL 13 HG23 VAL 13 7.811 10.802 1.067 98 H ALA 14 HN ALA 14 7.688 15.787 0.530 99 HA ALA 14 HA ALA 14 5.909 17.521 -0.726 100 HB1 ALA 14 HB1 ALA 14 8.136 18.185 0.051 101 HB2 ALA 14 HB2 ALA 14 7.870 18.640 -1.633 102 HB3 ALA 14 HB3 ALA 14 8.867 17.238 -1.245 103 H GLU 15 HN GLU 15 6.055 18.190 -3.070 104 HA GLU 15 HA GLU 15 5.389 15.926 -4.695 105 HB2 GLU 15 HB2 GLU 15 4.945 17.610 -6.448 106 HB3 GLU 15 HB1 GLU 15 4.131 17.981 -4.934 107 HG2 GLU 15 HG2 GLU 15 5.860 19.616 -4.398 108 HG3 GLU 15 HG1 GLU 15 6.684 19.241 -5.912 109 H ALA 16 HN ALA 16 8.181 17.969 -4.290 110 HA ALA 16 HA ALA 16 9.432 16.892 -6.700 111 HB1 ALA 16 HB1 ALA 16 11.179 18.537 -6.318 112 HB2 ALA 16 HB2 ALA 16 10.440 18.986 -4.780 113 HB3 ALA 16 HB3 ALA 16 9.589 19.300 -6.292 114 H GLN 17 HN GLN 17 9.130 15.925 -3.557 115 HA GLN 17 HA GLN 17 11.794 14.667 -3.571 116 HB2 GLN 17 HB2 GLN 17 10.067 15.507 -1.245 117 HB3 GLN 17 HB1 GLN 17 11.488 14.487 -1.076 118 HG2 GLN 17 HG2 GLN 17 11.482 17.271 -2.217 119 HG3 GLN 17 HG1 GLN 17 11.933 16.847 -0.566 120 HE21 GLN 17 HE21 GLN 17 12.812 16.598 -3.931 121 HE22 GLN 17 HE22 GLN 17 14.469 16.184 -3.672 122 H ARG 18 HN ARG 18 8.411 14.141 -3.576 123 HA ARG 18 HA ARG 18 8.352 11.564 -2.401 124 HB2 ARG 18 HB2 ARG 18 6.133 11.364 -3.361 125 HB3 ARG 18 HB1 ARG 18 6.347 12.972 -2.682 126 HG2 ARG 18 HG1 ARG 18 6.964 13.690 -5.058 127 HG3 ARG 18 HG2 ARG 18 6.266 12.149 -5.558 128 HD2 ARG 18 HD2 ARG 18 4.836 14.243 -3.929 129 HD3 ARG 18 HD1 ARG 18 4.664 14.030 -5.669 130 HE ARG 18 HE ARG 18 4.116 11.606 -4.333 131 HH11 ARG 18 HH11 ARG 18 2.778 14.763 -4.944 132 HH12 ARG 18 HH12 ARG 18 1.133 14.231 -4.830 133 HH21 ARG 18 HH21 ARG 18 1.953 10.896 -4.185 134 HH22 ARG 18 HH22 ARG 18 0.666 12.035 -4.398 135 H LEU 19 HN LEU 19 9.195 12.700 -5.580 136 HA LEU 19 HA LEU 19 8.996 10.058 -6.759 137 HB2 LEU 19 HB2 LEU 19 9.517 11.038 -8.811 138 HB3 LEU 19 HB1 LEU 19 8.540 12.238 -7.989 139 HG LEU 19 HG LEU 19 11.556 12.322 -8.114 140 HD11 LEU 19 HD11 LEU 19 11.262 14.076 -9.796 141 HD12 LEU 19 HD12 LEU 19 9.523 13.787 -9.791 142 HD13 LEU 19 HD13 LEU 19 10.624 12.528 -10.352 143 HD21 LEU 19 HD21 LEU 19 11.198 14.685 -7.461 144 HD22 LEU 19 HD22 LEU 19 10.697 13.530 -6.228 145 HD23 LEU 19 HD23 LEU 19 9.486 14.325 -7.233 146 H ASP 20 HN ASP 20 11.349 11.964 -5.150 147 HA ASP 20 HA ASP 20 13.552 10.304 -6.115 148 HB2 ASP 20 HB2 ASP 20 13.729 12.853 -5.915 149 HB3 ASP 20 HB1 ASP 20 13.754 12.598 -4.171 150 H PHE 21 HN PHE 21 11.331 10.557 -3.592 151 HA PHE 21 HA PHE 21 12.928 9.477 -1.491 152 HB2 PHE 21 HB2 PHE 21 10.629 10.774 -1.408 153 HB3 PHE 21 HB1 PHE 21 9.957 9.153 -1.546 154 HD1 PHE 21 HD1 PHE 21 10.458 7.460 0.199 155 HD2 PHE 21 HD2 PHE 21 11.578 11.544 0.611 156 HE1 PHE 21 HE1 PHE 21 10.759 7.130 2.618 157 HE2 PHE 21 HE2 PHE 21 11.883 11.222 3.031 158 HZ PHE 21 HZ PHE 21 11.474 9.012 4.037 159 H LEU 22 HN LEU 22 10.964 8.192 -4.082 160 HA LEU 22 HA LEU 22 10.673 5.559 -3.211 161 HB2 LEU 22 HB2 LEU 22 10.577 6.953 -5.791 162 HB3 LEU 22 HB1 LEU 22 11.105 5.288 -5.923 163 HG LEU 22 HG LEU 22 8.773 5.271 -6.284 164 HD11 LEU 22 HD21 LEU 22 9.145 4.515 -3.391 165 HD12 LEU 22 HD22 LEU 22 9.648 3.521 -4.758 166 HD13 LEU 22 HD23 LEU 22 7.939 3.884 -4.512 167 HD21 LEU 22 HD11 LEU 22 8.523 6.954 -3.799 168 HD22 LEU 22 HD12 LEU 22 7.170 6.264 -4.695 169 HD23 LEU 22 HD13 LEU 22 8.214 7.463 -5.458 170 HA PRO 23 HA PRO 23 14.973 4.599 -5.217 171 HB2 PRO 23 HB2 PRO 23 16.544 6.753 -5.826 172 HB3 PRO 23 HB1 PRO 23 15.480 5.962 -6.994 173 HG2 PRO 23 HG2 PRO 23 15.039 8.474 -5.424 174 HG3 PRO 23 HG1 PRO 23 14.633 8.116 -7.113 175 HD2 PRO 23 HD2 PRO 23 12.801 8.070 -5.123 176 HD3 PRO 23 HD1 PRO 23 12.702 7.011 -6.543 177 H THR 24 HN THR 24 14.288 7.115 -2.998 178 HA THR 24 HA THR 24 16.789 7.278 -1.669 179 HB THR 24 HB THR 24 13.983 8.004 -0.859 180 HG1 THR 24 HG1 THR 24 16.024 9.863 -0.819 181 HG21 THR 24 HG21 THR 24 15.147 7.241 1.163 182 HG22 THR 24 HG22 THR 24 14.859 8.982 1.191 183 HG23 THR 24 HG23 THR 24 16.467 8.359 0.818 184 H TYR 25 HN TYR 25 13.931 5.281 -1.256 185 HA TYR 25 HA TYR 25 15.462 3.591 0.604 186 HB2 TYR 25 HB2 TYR 25 13.646 4.916 1.748 187 HB3 TYR 25 HB1 TYR 25 12.476 4.043 0.762 188 HD1 TYR 25 HD2 TYR 25 15.057 3.646 3.384 189 HD2 TYR 25 HD1 TYR 25 11.784 1.852 1.342 190 HE1 TYR 25 HE2 TYR 25 15.018 1.837 5.048 191 HE2 TYR 25 HE1 TYR 25 11.736 0.037 3.001 192 HH TYR 25 HH TYR 25 13.453 0.182 5.935 193 H PHE 26 HN PHE 26 12.313 3.397 -1.036 194 HA PHE 26 HA PHE 26 12.139 0.774 -1.578 195 HB2 PHE 26 HB2 PHE 26 11.113 3.182 -2.839 196 HB3 PHE 26 HB1 PHE 26 11.330 1.883 -4.007 197 HD1 PHE 26 HD1 PHE 26 10.018 2.282 -0.531 198 HD2 PHE 26 HD2 PHE 26 9.509 0.567 -4.393 199 HE1 PHE 26 HE1 PHE 26 7.897 1.271 0.202 200 HE2 PHE 26 HE2 PHE 26 7.388 -0.447 -3.667 201 HZ PHE 26 HZ PHE 26 6.580 -0.095 -1.367 202 H GLY 27 HN GLY 27 14.152 3.068 -3.313 203 HA2 GLY 27 HA2 GLY 27 16.294 2.240 -4.149 204 HA3 GLY 27 HA1 GLY 27 15.460 0.774 -4.637 205 HA PRO 28 HA PRO 28 15.500 4.302 -7.951 206 HB2 PRO 28 HB1 PRO 28 17.665 3.478 -9.420 207 HB3 PRO 28 HB2 PRO 28 17.733 4.741 -8.187 208 HG2 PRO 28 HG2 PRO 28 18.483 1.851 -7.987 209 HG3 PRO 28 HG1 PRO 28 19.318 3.274 -7.334 210 HD2 PRO 28 HD1 PRO 28 17.784 1.690 -5.789 211 HD3 PRO 28 HD2 PRO 28 17.880 3.444 -5.529 212 H ARG 29 HN ARG 29 15.647 0.903 -7.680 213 HA ARG 29 HA ARG 29 14.720 0.547 -10.433 214 HB2 ARG 29 HB1 ARG 29 14.953 -1.934 -9.832 215 HB3 ARG 29 HB2 ARG 29 16.425 -0.994 -10.025 216 HG2 ARG 29 HG1 ARG 29 16.883 -2.192 -8.128 217 HG3 ARG 29 HG2 ARG 29 16.249 -0.694 -7.448 218 HD2 ARG 29 HD2 ARG 29 15.386 -2.878 -6.463 219 HD3 ARG 29 HD1 ARG 29 14.187 -1.673 -6.921 220 HE ARG 29 HE ARG 29 13.429 -3.078 -8.588 221 HH11 ARG 29 HH11 ARG 29 16.393 -4.313 -7.226 222 HH12 ARG 29 HH12 ARG 29 16.242 -5.867 -7.976 223 HH21 ARG 29 HH21 ARG 29 13.224 -5.127 -9.575 224 HH22 ARG 29 HH22 ARG 29 14.443 -6.329 -9.312 225 H LEU 30 HN LEU 30 13.702 -0.016 -7.066 226 HA LEU 30 HA LEU 30 11.314 -1.352 -7.760 227 HB2 LEU 30 HB1 LEU 30 12.734 -0.681 -5.415 228 HB3 LEU 30 HB2 LEU 30 11.120 -0.024 -5.234 229 HG LEU 30 HG LEU 30 10.142 -2.220 -5.574 230 HD11 LEU 30 HD11 LEU 30 12.981 -3.194 -5.883 231 HD12 LEU 30 HD12 LEU 30 11.770 -3.108 -7.162 232 HD13 LEU 30 HD13 LEU 30 11.540 -4.210 -5.805 233 HD21 LEU 30 HD21 LEU 30 12.402 -2.292 -3.579 234 HD22 LEU 30 HD22 LEU 30 10.964 -3.315 -3.558 235 HD23 LEU 30 HD23 LEU 30 10.813 -1.575 -3.314 236 H MET 31 HN MET 31 12.125 2.042 -7.241 237 HA MET 31 HA MET 31 9.853 3.316 -6.802 238 HB2 MET 31 HB2 MET 31 10.607 4.867 -8.852 239 HB3 MET 31 HB1 MET 31 11.462 4.835 -7.317 240 HG2 MET 31 HG2 MET 31 13.185 3.519 -8.165 241 HG3 MET 31 HG1 MET 31 12.239 3.013 -9.561 242 HE1 MET 31 HE1 MET 31 11.708 4.574 -11.633 243 HE2 MET 31 HE2 MET 31 12.179 6.270 -11.729 244 HE3 MET 31 HE3 MET 31 10.976 5.754 -10.547 245 H MET 32 HN MET 32 10.469 1.577 -9.792 246 HA MET 32 HA MET 32 7.754 2.254 -10.695 247 HB2 MET 32 HB2 MET 32 8.456 1.692 -12.929 248 HB3 MET 32 HB1 MET 32 9.630 2.807 -12.244 249 HG2 MET 32 HG1 MET 32 11.116 0.927 -11.750 250 HG3 MET 32 HG2 MET 32 9.943 -0.176 -12.467 251 HE1 MET 32 HE1 MET 32 12.232 3.059 -14.832 252 HE2 MET 32 HE2 MET 32 12.469 2.748 -13.112 253 HE3 MET 32 HE3 MET 32 10.949 3.438 -13.682 254 H ARG 33 HN ARG 33 9.995 -0.360 -10.029 255 HA ARG 33 HA ARG 33 8.233 -2.454 -10.832 256 HB2 ARG 33 HB1 ARG 33 10.674 -2.552 -9.063 257 HB3 ARG 33 HB2 ARG 33 9.873 -3.942 -9.784 258 HG2 ARG 33 HG2 ARG 33 10.389 -3.050 -12.019 259 HG3 ARG 33 HG1 ARG 33 11.251 -1.709 -11.261 260 HD2 ARG 33 HD2 ARG 33 12.761 -3.326 -10.185 261 HD3 ARG 33 HD1 ARG 33 11.928 -4.636 -11.021 262 HE ARG 33 HE ARG 33 13.153 -2.502 -12.608 263 HH11 ARG 33 HH11 ARG 33 13.120 -5.820 -11.545 264 HH12 ARG 33 HH12 ARG 33 14.228 -6.355 -12.765 265 HH21 ARG 33 HH21 ARG 33 14.612 -3.197 -14.215 266 HH22 ARG 33 HH22 ARG 33 15.076 -4.865 -14.282 267 H GLY 34 HN GLY 34 8.086 -0.358 -8.297 268 HA2 GLY 34 HA2 GLY 34 6.683 -2.333 -6.598 269 HA3 GLY 34 HA1 GLY 34 7.567 -0.959 -5.950 270 H GLU 35 HN GLU 35 6.727 1.056 -7.637 271 HA GLU 35 HA GLU 35 4.291 1.824 -6.490 272 HB2 GLU 35 HB1 GLU 35 5.869 3.462 -7.336 273 HB3 GLU 35 HB2 GLU 35 5.686 2.843 -8.971 274 HG2 GLU 35 HG2 GLU 35 3.329 3.548 -8.950 275 HG3 GLU 35 HG1 GLU 35 3.569 4.225 -7.339 276 H ALA 36 HN ALA 36 5.040 0.122 -9.442 277 HA ALA 36 HA ALA 36 2.406 0.379 -10.564 278 HB1 ALA 36 HB1 ALA 36 4.640 -1.500 -11.317 279 HB2 ALA 36 HB2 ALA 36 4.379 0.111 -11.985 280 HB3 ALA 36 HB3 ALA 36 3.195 -1.165 -12.270 281 H LEU 37 HN LEU 37 3.911 -1.759 -8.307 282 HA LEU 37 HA LEU 37 2.064 -3.927 -8.715 283 HB2 LEU 37 HB2 LEU 37 4.548 -3.632 -7.514 284 HB3 LEU 37 HB1 LEU 37 3.461 -3.933 -6.175 285 HG LEU 37 HG LEU 37 4.505 -5.984 -7.042 286 HD11 LEU 37 HD11 LEU 37 1.521 -5.794 -7.415 287 HD12 LEU 37 HD12 LEU 37 2.373 -6.129 -5.908 288 HD13 LEU 37 HD13 LEU 37 2.430 -7.294 -7.231 289 HD21 LEU 37 HD21 LEU 37 4.695 -5.361 -9.385 290 HD22 LEU 37 HD22 LEU 37 2.938 -5.376 -9.544 291 HD23 LEU 37 HD23 LEU 37 3.807 -6.875 -9.211 292 H VAL 38 HN VAL 38 2.384 -1.237 -6.471 293 HA VAL 38 HA VAL 38 0.393 -2.180 -4.649 294 HB VAL 38 HB VAL 38 0.517 -0.074 -3.557 295 HG11 VAL 38 HG21 VAL 38 2.472 -1.495 -3.286 296 HG12 VAL 38 HG22 VAL 38 2.928 0.208 -3.238 297 HG13 VAL 38 HG23 VAL 38 3.228 -0.745 -4.691 298 HG21 VAL 38 HG11 VAL 38 1.876 0.989 -6.029 299 HG22 VAL 38 HG12 VAL 38 1.650 1.874 -4.520 300 HG23 VAL 38 HG13 VAL 38 0.250 1.387 -5.473 301 H TYR 39 HN TYR 39 0.371 -0.048 -7.450 302 HA TYR 39 HA TYR 39 -2.398 0.655 -7.132 303 HB2 TYR 39 HB1 TYR 39 -1.923 2.245 -8.648 304 HB3 TYR 39 HB2 TYR 39 -0.252 1.708 -8.537 305 HD1 TYR 39 HD1 TYR 39 0.664 0.152 -10.234 306 HD2 TYR 39 HD2 TYR 39 -3.220 1.845 -10.615 307 HE1 TYR 39 HE1 TYR 39 0.645 -0.443 -12.619 308 HE2 TYR 39 HE2 TYR 39 -3.251 1.254 -13.001 309 HH TYR 39 HH TYR 39 -1.645 0.781 -14.802 310 H ALA 40 HN ALA 40 -0.597 -1.861 -8.670 311 HA ALA 40 HA ALA 40 -2.431 -2.680 -10.629 312 HB1 ALA 40 HB1 ALA 40 -0.477 -4.380 -9.082 313 HB2 ALA 40 HB2 ALA 40 -0.111 -3.463 -10.544 314 HB3 ALA 40 HB3 ALA 40 -1.250 -4.808 -10.609 315 H TRP 41 HN TRP 41 -2.218 -3.364 -7.187 316 HA TRP 41 HA TRP 41 -4.318 -5.343 -7.263 317 HB2 TRP 41 HB2 TRP 41 -2.887 -3.977 -4.975 318 HB3 TRP 41 HB1 TRP 41 -4.140 -5.194 -4.751 319 HD1 TRP 41 HD1 TRP 41 -0.466 -4.826 -5.366 320 HE1 TRP 41 HE1 TRP 41 0.612 -7.149 -5.606 321 HE3 TRP 41 HE3 TRP 41 -4.706 -7.660 -5.755 322 HZ2 TRP 41 HZ2 TRP 41 -0.219 -9.826 -5.921 323 HZ3 TRP 41 HZ3 TRP 41 -4.476 -10.095 -6.024 324 HH2 TRP 41 HH2 TRP 41 -2.277 -11.154 -6.106 325 H MET 42 HN MET 42 -4.004 -1.925 -6.619 326 HA MET 42 HA MET 42 -6.510 -1.524 -5.371 327 HB2 MET 42 HB2 MET 42 -4.538 0.056 -5.363 328 HB3 MET 42 HB1 MET 42 -4.971 0.489 -7.010 329 HG2 MET 42 HG2 MET 42 -6.008 2.157 -5.871 330 HG3 MET 42 HG1 MET 42 -7.310 0.972 -5.933 331 HE1 MET 42 HE1 MET 42 -8.438 -0.062 -3.958 332 HE2 MET 42 HE2 MET 42 -7.706 -0.277 -2.368 333 HE3 MET 42 HE3 MET 42 -7.027 -1.104 -3.771 334 H ARG 43 HN ARG 43 -5.512 -1.641 -8.736 335 HA ARG 43 HA ARG 43 -8.015 -0.606 -9.716 336 HB2 ARG 43 HB2 ARG 43 -7.095 -1.150 -11.950 337 HB3 ARG 43 HB1 ARG 43 -6.016 -0.149 -10.989 338 HG2 ARG 43 HG1 ARG 43 -4.539 -1.656 -11.859 339 HG3 ARG 43 HG2 ARG 43 -4.952 -2.450 -10.338 340 HD2 ARG 43 HD1 ARG 43 -4.994 -4.069 -12.126 341 HD3 ARG 43 HD2 ARG 43 -6.634 -3.801 -11.537 342 HE ARG 43 HE ARG 43 -6.155 -2.085 -13.704 343 HH11 ARG 43 HH11 ARG 43 -6.579 -5.475 -13.017 344 HH12 ARG 43 HH12 ARG 43 -7.222 -5.844 -14.582 345 HH21 ARG 43 HH21 ARG 43 -7.000 -2.562 -15.767 346 HH22 ARG 43 HH22 ARG 43 -7.460 -4.188 -16.145 347 H ARG 44 HN ARG 44 -6.758 -3.684 -8.856 348 HA ARG 44 HA ARG 44 -8.515 -5.246 -10.493 349 HB2 ARG 44 HB1 ARG 44 -6.821 -5.919 -8.084 350 HB3 ARG 44 HB2 ARG 44 -7.794 -7.111 -8.938 351 HG2 ARG 44 HG2 ARG 44 -6.527 -6.761 -10.958 352 HG3 ARG 44 HG1 ARG 44 -5.614 -5.458 -10.195 353 HD2 ARG 44 HD1 ARG 44 -4.739 -7.073 -8.550 354 HD3 ARG 44 HD2 ARG 44 -5.600 -8.364 -9.388 355 HE ARG 44 HE ARG 44 -3.963 -7.015 -11.226 356 HH11 ARG 44 HH11 ARG 44 -3.715 -9.132 -8.469 357 HH12 ARG 44 HH12 ARG 44 -2.219 -9.837 -8.983 358 HH21 ARG 44 HH21 ARG 44 -1.994 -7.936 -11.910 359 HH22 ARG 44 HH22 ARG 44 -1.240 -9.157 -10.939 360 H LEU 45 HN LEU 45 -8.383 -4.660 -6.986 361 HA LEU 45 HA LEU 45 -10.680 -5.857 -6.168 362 HB2 LEU 45 HB2 LEU 45 -9.840 -3.152 -5.167 363 HB3 LEU 45 HB1 LEU 45 -10.722 -4.386 -4.302 364 HG LEU 45 HG LEU 45 -7.837 -4.584 -5.168 365 HD11 LEU 45 HD11 LEU 45 -7.348 -4.443 -2.777 366 HD12 LEU 45 HD12 LEU 45 -9.062 -4.196 -2.442 367 HD13 LEU 45 HD13 LEU 45 -8.160 -2.990 -3.359 368 HD21 LEU 45 HD21 LEU 45 -8.968 -6.756 -5.158 369 HD22 LEU 45 HD22 LEU 45 -9.506 -6.467 -3.504 370 HD23 LEU 45 HD23 LEU 45 -7.786 -6.633 -3.856 371 H CYS 46 HN CYS 46 -10.512 -3.105 -8.227 372 HA CYS 46 HA CYS 46 -13.406 -2.690 -7.893 373 HB2 CYS 46 HB2 CYS 46 -12.184 -0.700 -7.204 374 HB3 CYS 46 HB1 CYS 46 -11.313 -0.679 -8.733 375 HG CYS 46 HG CYS 46 -14.455 -0.666 -9.505 376 H GLU 47 HN GLU 47 -14.675 -2.633 -9.702 377 HA GLU 47 HA GLU 47 -13.543 -3.822 -12.088 378 HB2 GLU 47 HB2 GLU 47 -15.863 -3.982 -12.851 379 HB3 GLU 47 HB1 GLU 47 -15.699 -4.620 -11.221 380 HG2 GLU 47 HG2 GLU 47 -16.582 -2.531 -10.314 381 HG3 GLU 47 HG1 GLU 47 -16.750 -1.895 -11.950 382 H ARG 48 HN ARG 48 -14.693 -0.749 -10.973 383 HA ARG 48 HA ARG 48 -14.267 0.403 -13.647 384 HB2 ARG 48 HB2 ARG 48 -15.689 2.287 -12.863 385 HB3 ARG 48 HB1 ARG 48 -16.540 0.750 -12.902 386 HG2 ARG 48 HG1 ARG 48 -16.215 0.523 -10.479 387 HG3 ARG 48 HG2 ARG 48 -15.408 2.092 -10.456 388 HD2 ARG 48 HD2 ARG 48 -17.693 2.386 -9.776 389 HD3 ARG 48 HD1 ARG 48 -17.473 3.115 -11.366 390 HE ARG 48 HE ARG 48 -18.364 0.665 -11.992 391 HH11 ARG 48 HH11 ARG 48 -19.513 3.053 -9.730 392 HH12 ARG 48 HH12 ARG 48 -21.170 2.570 -9.864 393 HH21 ARG 48 HH21 ARG 48 -20.544 0.021 -12.175 394 HH22 ARG 48 HH22 ARG 48 -21.757 0.846 -11.253 395 H TYR 49 HN TYR 49 -11.976 -0.029 -12.498 396 HA TYR 49 HA TYR 49 -11.204 2.488 -11.184 397 HB2 TYR 49 HB2 TYR 49 -10.983 0.120 -10.000 398 HB3 TYR 49 HB1 TYR 49 -9.504 0.049 -10.952 399 HD1 TYR 49 HD1 TYR 49 -8.130 2.393 -10.834 400 HD2 TYR 49 HD2 TYR 49 -10.747 0.868 -7.857 401 HE1 TYR 49 HE1 TYR 49 -6.977 3.751 -9.136 402 HE2 TYR 49 HE2 TYR 49 -9.608 2.212 -6.148 403 HH TYR 49 HH TYR 49 -7.469 3.306 -5.785 404 H ASN 50 HN ASN 50 -10.577 3.657 -12.962 405 HA ASN 50 HA ASN 50 -8.836 2.476 -14.956 406 HB2 ASN 50 HB1 ASN 50 -9.811 5.328 -14.676 407 HB3 ASN 50 HB2 ASN 50 -8.992 4.647 -16.078 408 HD21 ASN 50 HD21 ASN 50 -10.399 2.097 -15.851 409 HD22 ASN 50 HD22 ASN 50 -12.002 2.388 -16.424 410 H GLY 51 HN GLY 51 -8.648 4.868 -12.365 411 HA2 GLY 51 HA2 GLY 51 -5.952 4.382 -11.786 412 HA3 GLY 51 HA1 GLY 51 -6.023 5.763 -12.872 413 H ALA 52 HN ALA 52 -4.976 6.057 -10.357 414 HA ALA 52 HA ALA 52 -6.818 7.996 -9.228 415 HB1 ALA 52 HB1 ALA 52 -5.731 5.744 -7.544 416 HB2 ALA 52 HB2 ALA 52 -7.409 5.934 -8.052 417 HB3 ALA 52 HB3 ALA 52 -6.678 7.114 -6.963 418 H TYR 53 HN TYR 53 -5.797 9.534 -7.851 419 HA TYR 53 HA TYR 53 -3.060 9.996 -8.512 420 HB2 TYR 53 HB2 TYR 53 -5.229 11.552 -7.666 421 HB3 TYR 53 HB1 TYR 53 -4.034 11.675 -6.377 422 HD1 TYR 53 HD2 TYR 53 -1.613 12.226 -7.099 423 HD2 TYR 53 HD1 TYR 53 -5.033 12.881 -9.539 424 HE1 TYR 53 HE2 TYR 53 -0.344 13.861 -8.432 425 HE2 TYR 53 HE1 TYR 53 -3.781 14.506 -10.880 426 HH TYR 53 HH TYR 53 -1.821 15.977 -10.642 427 H TRP 54 HN TRP 54 -1.891 8.320 -7.600 428 HA TRP 54 HA TRP 54 -1.987 7.529 -4.931 429 HB2 TRP 54 HB1 TRP 54 0.528 7.431 -6.577 430 HB3 TRP 54 HB2 TRP 54 -0.047 6.279 -5.375 431 HD1 TRP 54 HD1 TRP 54 -2.869 5.559 -6.380 432 HE1 TRP 54 HE1 TRP 54 -3.239 4.361 -8.622 433 HE3 TRP 54 HE3 TRP 54 1.542 6.752 -8.674 434 HZ2 TRP 54 HZ2 TRP 54 -1.842 3.962 -11.046 435 HZ3 TRP 54 HZ3 TRP 54 1.948 5.920 -10.954 436 HH2 TRP 54 HH2 TRP 54 0.289 4.554 -12.114 437 H HIS 55 HN HIS 55 -0.966 8.130 -3.158 438 HA HIS 55 HA HIS 55 0.693 10.565 -3.237 439 HB2 HIS 55 HB2 HIS 55 -1.290 9.699 -1.135 440 HB3 HIS 55 HB1 HIS 55 -0.150 11.019 -0.916 441 HD1 HIS 55 HD1 HIS 55 -0.597 13.206 -2.216 442 HD2 HIS 55 HD2 HIS 55 -3.482 10.268 -2.760 443 HE1 HIS 55 HE1 HIS 55 -2.547 14.375 -3.288 444 HE2 HIS 55 HE2 HIS 55 -4.328 12.605 -3.485 445 H TYR 56 HN TYR 56 2.728 10.234 -2.623 446 HA TYR 56 HA TYR 56 3.521 7.785 -1.407 447 HB2 TYR 56 HB2 TYR 56 4.828 9.381 -3.050 448 HB3 TYR 56 HB1 TYR 56 5.356 10.141 -1.550 449 HD1 TYR 56 HD2 TYR 56 4.640 6.569 -1.984 450 HD2 TYR 56 HD1 TYR 56 7.664 9.531 -1.626 451 HE1 TYR 56 HE2 TYR 56 6.327 4.794 -1.685 452 HE2 TYR 56 HE1 TYR 56 9.361 7.773 -1.320 453 HH TYR 56 HH TYR 56 8.739 4.485 -1.946 454 H TYR 57 HN TYR 57 3.741 7.315 0.661 455 HA TYR 57 HA TYR 57 3.759 9.525 2.610 456 HB2 TYR 57 HB1 TYR 57 2.247 6.933 2.642 457 HB3 TYR 57 HB2 TYR 57 2.649 7.750 4.149 458 HD1 TYR 57 HD2 TYR 57 1.805 10.083 4.532 459 HD2 TYR 57 HD1 TYR 57 0.438 7.671 1.305 460 HE1 TYR 57 HE2 TYR 57 -0.161 11.534 4.289 461 HE2 TYR 57 HE1 TYR 57 -1.533 9.118 1.052 462 HH TYR 57 HH TYR 57 -1.800 12.146 2.571 463 H ALA 58 HN ALA 58 5.171 9.421 4.282 464 HA ALA 58 HA ALA 58 7.085 7.186 4.238 465 HB1 ALA 58 HB1 ALA 58 7.526 10.020 5.173 466 HB2 ALA 58 HB2 ALA 58 8.056 9.350 3.630 467 HB3 ALA 58 HB3 ALA 58 8.736 8.736 5.138 468 H LEU 59 HN LEU 59 6.809 5.807 5.854 469 HA LEU 59 HA LEU 59 5.522 6.665 8.314 470 HB2 LEU 59 HB2 LEU 59 6.231 4.025 7.100 471 HB3 LEU 59 HB1 LEU 59 5.881 4.124 8.817 472 HG LEU 59 HG LEU 59 3.950 5.240 6.809 473 HD11 LEU 59 HD11 LEU 59 4.378 2.970 6.075 474 HD12 LEU 59 HD12 LEU 59 2.782 3.089 6.813 475 HD13 LEU 59 HD13 LEU 59 4.117 2.370 7.713 476 HD21 LEU 59 HD21 LEU 59 3.626 4.064 9.564 477 HD22 LEU 59 HD22 LEU 59 2.339 4.744 8.567 478 HD23 LEU 59 HD23 LEU 59 3.633 5.782 9.164 479 H SER 60 HN SER 60 6.414 6.300 10.399 480 HA SER 60 HA SER 60 9.200 6.957 10.542 481 HB2 SER 60 HB1 SER 60 8.828 7.021 12.982 482 HB3 SER 60 HB2 SER 60 7.610 7.952 12.109 483 HG SER 60 HG SER 60 6.181 6.210 12.361 484 H ASP 61 HN ASP 61 7.352 4.048 10.737 485 HA ASP 61 HA ASP 61 9.425 2.568 12.117 486 HB2 ASP 61 HB1 ASP 61 6.799 1.737 10.878 487 HB3 ASP 61 HB2 ASP 61 7.911 0.602 11.638 488 H GLY 62 HN GLY 62 9.017 3.664 9.027 489 HA2 GLY 62 HA1 GLY 62 10.482 3.274 7.240 490 HA3 GLY 62 HA2 GLY 62 11.015 1.797 8.029 491 H GLY 63 HN GLY 63 7.656 2.051 7.975 492 HA2 GLY 63 HA1 GLY 63 7.523 -0.004 5.902 493 HA3 GLY 63 HA2 GLY 63 6.248 0.409 7.038 494 H PHE 64 HN PHE 64 8.026 2.722 5.102 495 HA PHE 64 HA PHE 64 6.169 4.389 4.252 496 HB2 PHE 64 HB1 PHE 64 8.059 3.211 2.216 497 HB3 PHE 64 HB2 PHE 64 7.439 4.858 2.292 498 HD1 PHE 64 HD2 PHE 64 8.313 6.441 3.932 499 HD2 PHE 64 HD1 PHE 64 9.911 2.517 3.561 500 HE1 PHE 64 HE2 PHE 64 10.294 7.131 5.218 501 HE2 PHE 64 HE1 PHE 64 11.895 3.197 4.846 502 HZ PHE 64 HZ PHE 64 12.089 5.508 5.677 503 H TYR 65 HN TYR 65 4.388 4.498 2.999 504 HA TYR 65 HA TYR 65 3.750 2.223 1.267 505 HB2 TYR 65 HB2 TYR 65 1.655 1.805 2.210 506 HB3 TYR 65 HB1 TYR 65 2.686 2.051 3.614 507 HD1 TYR 65 HD2 TYR 65 2.573 4.229 4.856 508 HD2 TYR 65 HD1 TYR 65 -0.184 3.226 1.770 509 HE1 TYR 65 HE2 TYR 65 1.045 5.976 5.660 510 HE2 TYR 65 HE1 TYR 65 -1.716 4.977 2.567 511 HH TYR 65 HH TYR 65 -0.784 7.359 4.806 512 H MET 66 HN MET 66 1.433 2.800 0.222 513 HA MET 66 HA MET 66 1.433 5.617 -0.605 514 HB2 MET 66 HB1 MET 66 1.455 3.220 -2.444 515 HB3 MET 66 HB2 MET 66 1.046 4.847 -2.967 516 HG2 MET 66 HG1 MET 66 3.218 5.628 -2.639 517 HG3 MET 66 HG2 MET 66 3.654 4.252 -1.626 518 HE1 MET 66 HE1 MET 66 1.558 3.864 -4.855 519 HE2 MET 66 HE2 MET 66 2.776 3.648 -6.112 520 HE3 MET 66 HE3 MET 66 2.570 5.224 -5.346 521 H ALA 67 HN ALA 67 -0.593 6.416 -1.295 522 HA ALA 67 HA ALA 67 -2.869 4.585 -1.202 523 HB1 ALA 67 HB1 ALA 67 -2.614 5.387 1.093 524 HB2 ALA 67 HB2 ALA 67 -4.104 5.984 0.362 525 HB3 ALA 67 HB3 ALA 67 -2.711 7.053 0.522 526 HA PRO 68 HA PRO 68 -4.057 7.117 -4.660 527 HB2 PRO 68 HB2 PRO 68 -6.626 6.255 -4.895 528 HB3 PRO 68 HB1 PRO 68 -5.235 5.305 -5.431 529 HG2 PRO 68 HG2 PRO 68 -6.810 5.091 -2.892 530 HG3 PRO 68 HG1 PRO 68 -6.220 3.799 -3.955 531 HD2 PRO 68 HD2 PRO 68 -4.956 4.467 -1.666 532 HD3 PRO 68 HD1 PRO 68 -4.076 3.906 -3.101 533 H ASP 69 HN ASP 69 -5.792 8.704 -5.240 534 HA ASP 69 HA ASP 69 -6.767 10.063 -2.815 535 HB2 ASP 69 HB2 ASP 69 -4.997 11.258 -4.095 536 HB3 ASP 69 HB1 ASP 69 -6.087 11.317 -5.477 537 H LEU 70 HN LEU 70 -8.800 9.131 -2.731 538 HA LEU 70 HA LEU 70 -10.664 10.070 -4.797 539 HB2 LEU 70 HB1 LEU 70 -10.610 7.318 -3.562 540 HB3 LEU 70 HB2 LEU 70 -11.979 7.951 -4.449 541 HG LEU 70 HG LEU 70 -10.837 6.574 -5.970 542 HD11 LEU 70 HD21 LEU 70 -9.946 9.407 -6.486 543 HD12 LEU 70 HD22 LEU 70 -11.485 8.688 -6.959 544 HD13 LEU 70 HD23 LEU 70 -9.984 8.111 -7.681 545 HD21 LEU 70 HD11 LEU 70 -8.450 6.673 -6.393 546 HD22 LEU 70 HD12 LEU 70 -8.770 6.328 -4.694 547 HD23 LEU 70 HD13 LEU 70 -8.272 7.946 -5.186 548 H ALA 71 HN ALA 71 -11.932 11.497 -3.819 549 HA ALA 71 HA ALA 71 -12.480 11.289 -0.974 550 HB1 ALA 71 HB1 ALA 71 -13.324 13.399 -2.955 551 HB2 ALA 71 HB2 ALA 71 -11.887 13.460 -1.935 552 HB3 ALA 71 HB3 ALA 71 -13.491 13.491 -1.203 553 H GLY 72 HN GLY 72 -14.058 9.946 -0.372 554 HA2 GLY 72 HA2 GLY 72 -16.624 10.127 -0.338 555 HA3 GLY 72 HA1 GLY 72 -16.473 9.771 -2.051 556 H ARG 73 HN ARG 73 -17.808 7.922 -1.664 557 HA ARG 73 HA ARG 73 -16.436 5.706 -0.310 558 HB2 ARG 73 HB2 ARG 73 -19.377 6.093 -0.903 559 HB3 ARG 73 HB1 ARG 73 -18.684 4.644 -0.187 560 HG2 ARG 73 HG1 ARG 73 -17.975 5.894 1.753 561 HG3 ARG 73 HG2 ARG 73 -18.550 7.397 1.026 562 HD2 ARG 73 HD2 ARG 73 -20.138 6.532 2.671 563 HD3 ARG 73 HD1 ARG 73 -20.832 6.556 1.052 564 HE ARG 73 HE ARG 73 -19.890 4.044 1.241 565 HH11 ARG 73 HH11 ARG 73 -21.876 5.970 3.359 566 HH12 ARG 73 HH12 ARG 73 -22.748 4.611 3.988 567 HH21 ARG 73 HH21 ARG 73 -21.035 2.250 2.061 568 HH22 ARG 73 HH22 ARG 73 -22.270 2.498 3.250 569 H LEU 74 HN LEU 74 -15.503 4.335 -1.619 570 HA LEU 74 HA LEU 74 -16.612 3.935 -4.318 571 HB2 LEU 74 HB2 LEU 74 -13.760 3.446 -3.484 572 HB3 LEU 74 HB1 LEU 74 -14.407 3.455 -5.112 573 HG LEU 74 HG LEU 74 -15.017 5.964 -4.452 574 HD11 LEU 74 HD21 LEU 74 -13.263 6.959 -3.093 575 HD12 LEU 74 HD22 LEU 74 -12.564 5.366 -2.801 576 HD13 LEU 74 HD23 LEU 74 -14.163 5.760 -2.166 577 HD21 LEU 74 HD11 LEU 74 -13.661 5.257 -6.359 578 HD22 LEU 74 HD12 LEU 74 -12.270 5.046 -5.296 579 HD23 LEU 74 HD13 LEU 74 -12.951 6.653 -5.549 580 H GLU 75 HN GLU 75 -17.404 1.986 -4.755 581 HA GLU 75 HA GLU 75 -17.321 -0.120 -2.853 582 HB2 GLU 75 HB1 GLU 75 -18.432 -1.448 -4.693 583 HB3 GLU 75 HB2 GLU 75 -19.260 0.029 -4.220 584 HG2 GLU 75 HG1 GLU 75 -18.426 1.178 -6.161 585 HG3 GLU 75 HG2 GLU 75 -17.445 -0.218 -6.606 586 H ILE 76 HN ILE 76 -15.476 -1.136 -2.437 587 HA ILE 76 HA ILE 76 -13.844 -2.046 -4.712 588 HB ILE 76 HB ILE 76 -13.091 -0.939 -2.060 589 HG12 ILE 76 HG12 ILE 76 -12.899 0.196 -4.354 590 HG13 ILE 76 HG11 ILE 76 -11.489 0.262 -3.302 591 HG21 ILE 76 HG21 ILE 76 -12.186 -3.155 -1.833 592 HG22 ILE 76 HG22 ILE 76 -10.869 -2.028 -2.160 593 HG23 ILE 76 HG23 ILE 76 -11.478 -3.071 -3.444 594 HD11 ILE 76 HD11 ILE 76 -10.451 -1.531 -4.560 595 HD12 ILE 76 HD12 ILE 76 -10.896 -0.195 -5.622 596 HD13 ILE 76 HD13 ILE 76 -11.881 -1.659 -5.584 597 H GLU 77 HN GLU 77 -14.206 -4.121 -5.087 598 HA GLU 77 HA GLU 77 -14.886 -5.921 -2.901 599 HB2 GLU 77 HB1 GLU 77 -15.253 -7.599 -4.691 600 HB3 GLU 77 HB2 GLU 77 -16.215 -6.144 -4.911 601 HG2 GLU 77 HG2 GLU 77 -14.592 -5.346 -6.571 602 HG3 GLU 77 HG1 GLU 77 -13.679 -6.841 -6.374 603 H VAL 78 HN VAL 78 -13.450 -7.182 -1.920 604 HA VAL 78 HA VAL 78 -10.745 -7.303 -3.038 605 HB VAL 78 HB VAL 78 -11.552 -7.982 -0.220 606 HG11 VAL 78 HG21 VAL 78 -9.371 -8.731 -0.898 607 HG12 VAL 78 HG22 VAL 78 -9.221 -7.393 0.241 608 HG13 VAL 78 HG23 VAL 78 -8.969 -7.118 -1.482 609 HG21 VAL 78 HG11 VAL 78 -12.337 -5.719 -0.671 610 HG22 VAL 78 HG12 VAL 78 -10.749 -5.279 -1.303 611 HG23 VAL 78 HG13 VAL 78 -10.939 -5.686 0.404 612 H ASN 79 HN ASN 79 -10.630 -9.134 -4.310 613 HA ASN 79 HA ASN 79 -11.990 -11.548 -3.599 614 HB2 ASN 79 HB1 ASN 79 -9.743 -11.358 -5.590 615 HB3 ASN 79 HB2 ASN 79 -11.141 -12.430 -5.607 616 HD21 ASN 79 HD21 ASN 79 -10.024 -9.173 -6.134 617 HD22 ASN 79 HD22 ASN 79 -11.372 -8.653 -7.083 618 H GLY 80 HN GLY 80 -8.687 -10.350 -3.332 619 HA2 GLY 80 HA2 GLY 80 -7.210 -12.540 -2.748 620 HA3 GLY 80 HA1 GLY 80 -7.000 -11.017 -1.900 621 H ASN 81 HN ASN 81 -9.798 -11.312 -0.816 622 HA ASN 81 HA ASN 81 -9.498 -13.576 0.991 623 HB2 ASN 81 HB2 ASN 81 -10.155 -11.847 2.879 624 HB3 ASN 81 HB1 ASN 81 -8.473 -12.113 2.435 625 HD21 ASN 81 HD21 ASN 81 -10.555 -9.801 3.205 626 HD22 ASN 81 HD22 ASN 81 -9.913 -8.474 2.307 627 H GLY 82 HN GLY 82 -11.332 -12.125 -1.132 628 HA2 GLY 82 HA2 GLY 82 -13.559 -12.248 -1.643 629 HA3 GLY 82 HA1 GLY 82 -13.732 -13.341 -0.280 630 H PHE 83 HN PHE 83 -12.387 -10.351 0.625 631 HA PHE 83 HA PHE 83 -14.791 -9.677 2.048 632 HB2 PHE 83 HB2 PHE 83 -12.765 -9.351 3.248 633 HB3 PHE 83 HB1 PHE 83 -12.049 -8.432 1.926 634 HD1 PHE 83 HD1 PHE 83 -15.143 -8.254 4.016 635 HD2 PHE 83 HD2 PHE 83 -11.844 -6.190 2.294 636 HE1 PHE 83 HE1 PHE 83 -15.929 -6.157 5.034 637 HE2 PHE 83 HE2 PHE 83 -12.622 -4.089 3.311 638 HZ PHE 83 HZ PHE 83 -14.668 -4.070 4.683 639 H ARG 84 HN ARG 84 -16.346 -8.998 0.626 640 HA ARG 84 HA ARG 84 -15.721 -6.882 -1.260 641 HB2 ARG 84 HB2 ARG 84 -18.162 -8.533 -0.695 642 HB3 ARG 84 HB1 ARG 84 -18.293 -7.055 -1.639 643 HG2 ARG 84 HG2 ARG 84 -18.040 -8.697 -3.249 644 HG3 ARG 84 HG1 ARG 84 -16.408 -8.050 -3.067 645 HD2 ARG 84 HD1 ARG 84 -16.384 -10.490 -3.154 646 HD3 ARG 84 HD2 ARG 84 -15.829 -9.900 -1.587 647 HE ARG 84 HE ARG 84 -18.446 -10.333 -1.146 648 HH11 ARG 84 HH11 ARG 84 -15.947 -12.304 -2.566 649 HH12 ARG 84 HH12 ARG 84 -16.657 -13.799 -2.052 650 HH21 ARG 84 HH21 ARG 84 -19.386 -12.295 -0.466 651 HH22 ARG 84 HH22 ARG 84 -18.611 -13.793 -0.858 652 H GLY 85 HN GLY 85 -15.628 -4.866 -0.579 653 HA2 GLY 85 HA2 GLY 85 -17.782 -3.701 0.900 654 HA3 GLY 85 HA1 GLY 85 -16.384 -3.945 1.933 655 H GLU 86 HN GLU 86 -17.888 -1.576 0.632 656 HA GLU 86 HA GLU 86 -16.012 -0.239 -1.013 657 HB2 GLU 86 HB2 GLU 86 -17.378 1.718 -0.716 658 HB3 GLU 86 HB1 GLU 86 -18.444 0.328 -0.862 659 HG2 GLU 86 HG1 GLU 86 -17.651 1.635 1.730 660 HG3 GLU 86 HG2 GLU 86 -19.164 1.914 0.870 661 H LEU 87 HN LEU 87 -14.604 1.500 -0.484 662 HA LEU 87 HA LEU 87 -14.126 2.216 2.249 663 HB2 LEU 87 HB2 LEU 87 -13.068 -0.092 1.911 664 HB3 LEU 87 HB1 LEU 87 -11.901 0.721 0.888 665 HG LEU 87 HG LEU 87 -11.180 2.100 2.781 666 HD11 LEU 87 HD11 LEU 87 -11.991 1.597 5.041 667 HD12 LEU 87 HD12 LEU 87 -13.184 0.491 4.358 668 HD13 LEU 87 HD13 LEU 87 -13.275 2.216 4.003 669 HD21 LEU 87 HD21 LEU 87 -11.225 -0.853 3.390 670 HD22 LEU 87 HD22 LEU 87 -10.117 0.330 4.088 671 HD23 LEU 87 HD23 LEU 87 -10.059 -0.021 2.360 672 H SER 88 HN SER 88 -12.833 4.025 2.458 673 HA SER 88 HA SER 88 -12.593 5.684 0.178 674 HB2 SER 88 HB1 SER 88 -11.343 6.001 2.919 675 HB3 SER 88 HB2 SER 88 -11.475 7.268 1.700 676 HG SER 88 HG SER 88 -13.192 6.854 3.517 677 H ALA 89 HN ALA 89 -10.593 6.665 -0.620 678 HA ALA 89 HA ALA 89 -8.694 4.700 -1.354 679 HB1 ALA 89 HB1 ALA 89 -9.182 6.529 -2.838 680 HB2 ALA 89 HB2 ALA 89 -7.477 6.588 -2.396 681 HB3 ALA 89 HB3 ALA 89 -8.623 7.698 -1.642 682 H ASP 90 HN ASP 90 -8.999 6.547 1.446 683 HA ASP 90 HA ASP 90 -6.154 6.663 2.027 684 HB2 ASP 90 HB1 ASP 90 -7.815 8.479 2.664 685 HB3 ASP 90 HB2 ASP 90 -8.426 7.368 3.882 686 H ALA 91 HN ALA 91 -8.920 4.714 2.722 687 HA ALA 91 HA ALA 91 -7.406 3.196 4.733 688 HB1 ALA 91 HB1 ALA 91 -9.600 4.004 5.457 689 HB2 ALA 91 HB2 ALA 91 -9.540 2.241 5.419 690 HB3 ALA 91 HB3 ALA 91 -10.361 3.124 4.132 691 H ALA 92 HN ALA 92 -8.352 3.116 1.485 692 HA ALA 92 HA ALA 92 -8.353 0.197 1.345 693 HB1 ALA 92 HB1 ALA 92 -10.117 1.371 0.129 694 HB2 ALA 92 HB2 ALA 92 -9.057 0.499 -0.976 695 HB3 ALA 92 HB3 ALA 92 -8.901 2.246 -0.801 696 H GLY 93 HN GLY 93 -6.555 3.028 0.234 697 HA2 GLY 93 HA2 GLY 93 -4.728 1.760 -1.453 698 HA3 GLY 93 HA1 GLY 93 -4.401 3.231 -0.545 699 H ILE 94 HN ILE 94 -4.951 1.857 1.997 700 HA ILE 94 HA ILE 94 -2.325 1.078 2.658 701 HB ILE 94 HB ILE 94 -4.641 0.083 4.272 702 HG12 ILE 94 HG12 ILE 94 -5.351 2.329 3.666 703 HG13 ILE 94 HG11 ILE 94 -4.836 2.310 5.349 704 HG21 ILE 94 HG21 ILE 94 -3.156 0.772 6.131 705 HG22 ILE 94 HG22 ILE 94 -1.953 1.263 4.941 706 HG23 ILE 94 HG23 ILE 94 -2.433 -0.429 5.062 707 HD11 ILE 94 HD11 ILE 94 -4.065 4.305 4.210 708 HD12 ILE 94 HD12 ILE 94 -3.211 3.313 3.028 709 HD13 ILE 94 HD13 ILE 94 -2.706 3.301 4.717 710 H VAL 95 HN VAL 95 -5.176 -0.706 1.704 711 HA VAL 95 HA VAL 95 -4.009 -3.295 2.168 712 HB VAL 95 HB VAL 95 -6.523 -2.565 0.658 713 HG11 VAL 95 HG11 VAL 95 -5.710 -4.797 0.126 714 HG12 VAL 95 HG12 VAL 95 -7.189 -4.880 1.082 715 HG13 VAL 95 HG13 VAL 95 -5.628 -5.188 1.844 716 HG21 VAL 95 HG21 VAL 95 -6.152 -3.335 3.550 717 HG22 VAL 95 HG22 VAL 95 -7.704 -3.129 2.736 718 HG23 VAL 95 HG23 VAL 95 -6.625 -1.748 2.942 719 H ALA 96 HN ALA 96 -4.300 -1.056 -0.498 720 HA ALA 96 HA ALA 96 -3.841 -2.896 -2.604 721 HB1 ALA 96 HB1 ALA 96 -3.366 -0.922 -3.964 722 HB2 ALA 96 HB2 ALA 96 -3.312 0.072 -2.507 723 HB3 ALA 96 HB3 ALA 96 -4.822 -0.700 -2.994 724 H THR 97 HN THR 97 -1.672 -0.737 -0.799 725 HA THR 97 HA THR 97 0.669 -1.564 -2.209 726 HB THR 97 HB THR 97 0.722 0.605 -1.214 727 HG1 THR 97 HG1 THR 97 2.752 -0.145 -1.060 728 HG21 THR 97 HG21 THR 97 0.475 1.025 1.145 729 HG22 THR 97 HG22 THR 97 0.336 -0.700 1.481 730 HG23 THR 97 HG23 THR 97 -0.934 0.129 0.582 731 H LEU 98 HN LEU 98 -0.772 -2.385 0.917 732 HA LEU 98 HA LEU 98 1.221 -4.000 1.959 733 HB2 LEU 98 HB2 LEU 98 -1.754 -3.989 2.231 734 HB3 LEU 98 HB1 LEU 98 -0.843 -5.314 2.928 735 HG LEU 98 HG LEU 98 -0.400 -2.400 3.585 736 HD11 LEU 98 HD21 LEU 98 -1.827 -4.540 5.156 737 HD12 LEU 98 HD22 LEU 98 -2.588 -3.168 4.352 738 HD13 LEU 98 HD23 LEU 98 -1.491 -2.899 5.706 739 HD21 LEU 98 HD11 LEU 98 0.937 -3.279 5.436 740 HD22 LEU 98 HD12 LEU 98 1.593 -3.766 3.872 741 HD23 LEU 98 HD13 LEU 98 0.678 -4.920 4.842 742 H PHE 99 HN PHE 99 -1.464 -4.960 -0.175 743 HA PHE 99 HA PHE 99 -0.820 -7.681 -0.328 744 HB2 PHE 99 HB1 PHE 99 -2.491 -5.801 -1.883 745 HB3 PHE 99 HB2 PHE 99 -1.978 -7.254 -2.736 746 HD1 PHE 99 HD2 PHE 99 -3.894 -5.971 0.131 747 HD2 PHE 99 HD1 PHE 99 -2.845 -9.396 -2.171 748 HE1 PHE 99 HE2 PHE 99 -5.686 -7.254 1.224 749 HE2 PHE 99 HE1 PHE 99 -4.637 -10.682 -1.082 750 HZ PHE 99 HZ PHE 99 -6.059 -9.612 0.619 751 H ALA 100 HN ALA 100 0.473 -4.906 -2.003 752 HA ALA 100 HA ALA 100 1.781 -6.317 -4.091 753 HB1 ALA 100 HB1 ALA 100 1.320 -3.915 -4.215 754 HB2 ALA 100 HB2 ALA 100 3.035 -4.256 -4.445 755 HB3 ALA 100 HB3 ALA 100 2.461 -3.629 -2.900 756 H LEU 101 HN LEU 101 2.774 -5.245 -0.878 757 HA LEU 101 HA LEU 101 5.480 -5.883 -0.995 758 HB2 LEU 101 HB2 LEU 101 3.651 -6.123 1.395 759 HB3 LEU 101 HB1 LEU 101 5.399 -6.001 1.444 760 HG LEU 101 HG LEU 101 3.570 -3.841 0.391 761 HD11 LEU 101 HD21 LEU 101 3.224 -4.182 2.779 762 HD12 LEU 101 HD22 LEU 101 4.063 -2.662 2.473 763 HD13 LEU 101 HD23 LEU 101 4.961 -4.064 3.057 764 HD21 LEU 101 HD11 LEU 101 5.564 -2.437 0.518 765 HD22 LEU 101 HD12 LEU 101 5.807 -3.797 -0.577 766 HD23 LEU 101 HD13 LEU 101 6.514 -3.829 1.038 767 H GLY 102 HN GLY 102 2.688 -7.915 -0.267 768 HA2 GLY 102 HA2 GLY 102 4.183 -10.204 0.518 769 HA3 GLY 102 HA1 GLY 102 2.487 -10.182 0.060 770 H GLN 103 HN GLN 103 3.352 -8.905 -2.580 771 HA GLN 103 HA GLN 103 3.697 -11.422 -3.962 772 HB2 GLN 103 HB1 GLN 103 2.129 -9.607 -4.729 773 HB3 GLN 103 HB2 GLN 103 3.543 -8.658 -5.164 774 HG2 GLN 103 HG1 GLN 103 4.204 -10.731 -6.562 775 HG3 GLN 103 HG2 GLN 103 2.506 -11.174 -6.394 776 HE21 GLN 103 HE21 GLN 103 0.919 -9.827 -7.308 777 HE22 GLN 103 HE22 GLN 103 1.305 -8.714 -8.571 778 H LEU 104 HN LEU 104 5.458 -8.338 -3.762 779 HA LEU 104 HA LEU 104 7.602 -9.059 -5.416 780 HB2 LEU 104 HB1 LEU 104 7.624 -7.151 -3.078 781 HB3 LEU 104 HB2 LEU 104 8.812 -7.211 -4.364 782 HG LEU 104 HG LEU 104 5.899 -6.479 -4.697 783 HD11 LEU 104 HD21 LEU 104 8.390 -4.783 -4.771 784 HD12 LEU 104 HD22 LEU 104 7.149 -4.761 -3.519 785 HD13 LEU 104 HD23 LEU 104 6.760 -4.232 -5.156 786 HD21 LEU 104 HD11 LEU 104 6.746 -7.568 -6.683 787 HD22 LEU 104 HD12 LEU 104 8.170 -6.527 -6.680 788 HD23 LEU 104 HD13 LEU 104 6.574 -5.837 -6.978 789 H ALA 105 HN ALA 105 7.107 -9.458 -1.944 790 HA ALA 105 HA ALA 105 9.696 -10.354 -1.298 791 HB1 ALA 105 HB1 ALA 105 8.687 -11.223 0.747 792 HB2 ALA 105 HB2 ALA 105 7.080 -11.014 0.053 793 HB3 ALA 105 HB3 ALA 105 8.088 -9.605 0.383 794 H ALA 106 HN ALA 106 6.883 -11.992 -2.587 795 HA ALA 106 HA ALA 106 8.180 -14.601 -2.343 796 HB1 ALA 106 HB1 ALA 106 5.422 -13.891 -3.330 797 HB2 ALA 106 HB2 ALA 106 5.829 -14.426 -1.699 798 HB3 ALA 106 HB3 ALA 106 6.041 -15.521 -3.065 799 H GLU 107 HN GLU 107 8.028 -12.086 -4.537 800 HA GLU 107 HA GLU 107 7.962 -13.650 -6.954 801 HB2 GLU 107 HB2 GLU 107 7.180 -11.241 -6.714 802 HB3 GLU 107 HB1 GLU 107 8.878 -10.788 -6.657 803 HG2 GLU 107 HG1 GLU 107 7.635 -12.305 -8.935 804 HG3 GLU 107 HG2 GLU 107 7.782 -10.550 -8.887 805 H ILE 108 HN ILE 108 10.447 -11.760 -5.237 806 HA ILE 108 HA ILE 108 12.574 -12.534 -6.937 807 HB ILE 108 HB ILE 108 14.065 -11.667 -5.188 808 HG12 ILE 108 HG11 ILE 108 11.541 -11.263 -3.564 809 HG13 ILE 108 HG12 ILE 108 12.743 -12.511 -3.250 810 HG21 ILE 108 HG21 ILE 108 11.645 -9.942 -5.702 811 HG22 ILE 108 HG22 ILE 108 13.048 -10.117 -6.757 812 HG23 ILE 108 HG23 ILE 108 13.224 -9.362 -5.172 813 HD11 ILE 108 HD11 ILE 108 13.016 -10.620 -1.755 814 HD12 ILE 108 HD12 ILE 108 13.217 -9.543 -3.137 815 HD13 ILE 108 HD13 ILE 108 14.415 -10.795 -2.813 816 H ALA 109 HN ALA 109 11.176 -13.931 -4.048 817 HA ALA 109 HA ALA 109 11.567 -15.862 -2.908 818 HB1 ALA 109 HB1 ALA 109 10.965 -16.813 -5.088 819 HB2 ALA 109 HB2 ALA 109 12.136 -17.817 -4.234 820 HB3 ALA 109 HB3 ALA 109 12.663 -16.784 -5.562 821 H ASP 110 HN ASP 110 13.118 -14.977 -1.497 822 HA ASP 110 HA ASP 110 15.778 -16.111 -1.854 823 HB2 ASP 110 HB2 ASP 110 15.287 -13.172 -1.334 824 HB3 ASP 110 HB1 ASP 110 16.852 -13.961 -1.165 825 H THR 111 HN THR 111 17.081 -15.190 0.285 826 HA THR 111 HA THR 111 15.335 -15.878 2.559 827 HB THR 111 HB THR 111 18.295 -16.465 2.385 828 HG1 THR 111 HG1 THR 111 17.017 -18.718 2.290 829 HG21 THR 111 HG21 THR 111 17.396 -16.314 4.654 830 HG22 THR 111 HG22 THR 111 17.821 -17.979 4.258 831 HG23 THR 111 HG23 THR 111 16.133 -17.471 4.240 832 H ASP 112 HN ASP 112 17.157 -13.481 1.157 833 HA ASP 112 HA ASP 112 17.655 -12.173 3.750 834 HB2 ASP 112 HB2 ASP 112 19.094 -11.723 1.126 835 HB3 ASP 112 HB1 ASP 112 19.429 -10.886 2.639 836 H ALA 113 HN ALA 113 17.209 -11.220 0.338 837 HA ALA 113 HA ALA 113 16.061 -8.711 1.002 838 HB1 ALA 113 HB1 ALA 113 17.239 -9.096 -1.104 839 HB2 ALA 113 HB2 ALA 113 15.599 -8.510 -1.384 840 HB3 ALA 113 HB3 ALA 113 15.975 -10.218 -1.609 841 H ALA 114 HN ALA 114 14.717 -11.874 0.270 842 HA ALA 114 HA ALA 114 12.039 -11.047 -0.123 843 HB1 ALA 114 HB1 ALA 114 13.090 -13.720 0.793 844 HB2 ALA 114 HB2 ALA 114 12.862 -13.214 -0.882 845 HB3 ALA 114 HB3 ALA 114 11.467 -13.402 0.181 846 H ASP 115 HN ASP 115 13.929 -11.032 2.634 847 HA ASP 115 HA ASP 115 11.559 -11.121 4.379 848 HB2 ASP 115 HB1 ASP 115 14.438 -11.724 5.090 849 HB3 ASP 115 HB2 ASP 115 13.087 -11.726 6.221 850 H ALA 116 HN ALA 116 13.817 -9.117 2.978 851 HA ALA 116 HA ALA 116 14.113 -7.265 5.173 852 HB1 ALA 116 HB1 ALA 116 15.334 -5.886 3.577 853 HB2 ALA 116 HB2 ALA 116 14.850 -6.960 2.264 854 HB3 ALA 116 HB3 ALA 116 15.913 -7.552 3.541 855 H LEU 117 HN LEU 117 12.435 -7.280 2.029 856 HA LEU 117 HA LEU 117 11.166 -4.772 2.475 857 HB2 LEU 117 HB2 LEU 117 10.067 -5.092 0.436 858 HB3 LEU 117 HB1 LEU 117 11.611 -5.887 0.231 859 HG LEU 117 HG LEU 117 10.078 -7.315 -0.793 860 HD11 LEU 117 HD11 LEU 117 10.142 -9.339 0.451 861 HD12 LEU 117 HD12 LEU 117 10.291 -8.466 1.973 862 HD13 LEU 117 HD13 LEU 117 11.616 -8.441 0.811 863 HD21 LEU 117 HD21 LEU 117 7.974 -8.050 0.235 864 HD22 LEU 117 HD22 LEU 117 8.031 -6.305 -0.014 865 HD23 LEU 117 HD23 LEU 117 8.281 -6.974 1.599 866 H ILE 118 HN ILE 118 10.595 -7.917 3.600 867 HA ILE 118 HA ILE 118 7.792 -7.904 3.887 868 HB ILE 118 HB ILE 118 10.014 -9.384 5.258 869 HG12 ILE 118 HG12 ILE 118 9.282 -10.101 3.024 870 HG13 ILE 118 HG11 ILE 118 8.924 -11.325 4.238 871 HG21 ILE 118 HG21 ILE 118 7.096 -9.630 5.992 872 HG22 ILE 118 HG22 ILE 118 8.340 -8.886 6.997 873 HG23 ILE 118 HG23 ILE 118 8.424 -10.608 6.620 874 HD11 ILE 118 HD11 ILE 118 6.595 -10.606 4.280 875 HD12 ILE 118 HD12 ILE 118 7.099 -11.088 2.660 876 HD13 ILE 118 HD13 ILE 118 6.952 -9.378 3.066 877 H ASP 119 HN ASP 119 10.405 -6.606 5.807 878 HA ASP 119 HA ASP 119 9.159 -6.072 8.207 879 HB2 ASP 119 HB2 ASP 119 11.473 -5.072 6.754 880 HB3 ASP 119 HB1 ASP 119 10.725 -3.822 7.740 881 H ARG 120 HN ARG 120 9.104 -4.183 5.218 882 HA ARG 120 HA ARG 120 7.786 -1.917 6.128 883 HB2 ARG 120 HB1 ARG 120 7.671 -3.280 3.434 884 HB3 ARG 120 HB2 ARG 120 6.973 -1.700 3.753 885 HG2 ARG 120 HG2 ARG 120 9.070 -1.320 2.744 886 HG3 ARG 120 HG1 ARG 120 9.267 -0.944 4.457 887 HD2 ARG 120 HD1 ARG 120 10.417 -2.970 4.865 888 HD3 ARG 120 HD2 ARG 120 9.964 -3.629 3.295 889 HE ARG 120 HE ARG 120 12.106 -1.759 3.857 890 HH11 ARG 120 HH11 ARG 120 10.082 -3.249 1.443 891 HH12 ARG 120 HH12 ARG 120 11.191 -2.956 0.146 892 HH21 ARG 120 HH21 ARG 120 13.574 -1.371 2.153 893 HH22 ARG 120 HH22 ARG 120 13.175 -1.889 0.549 894 H TYR 121 HN TYR 121 6.493 -5.046 5.160 895 HA TYR 121 HA TYR 121 3.770 -4.288 5.156 896 HB2 TYR 121 HB2 TYR 121 4.734 -6.370 4.107 897 HB3 TYR 121 HB1 TYR 121 4.860 -7.048 5.727 898 HD1 TYR 121 HD1 TYR 121 2.676 -7.186 7.105 899 HD2 TYR 121 HD2 TYR 121 2.765 -6.620 2.890 900 HE1 TYR 121 HE1 TYR 121 0.354 -7.979 6.956 901 HE2 TYR 121 HE2 TYR 121 0.441 -7.411 2.729 902 HH TYR 121 HH TYR 121 -1.566 -7.780 5.441 903 H HIS 122 HN HIS 122 5.707 -6.007 7.603 904 HA HIS 122 HA HIS 122 3.759 -6.261 9.560 905 HB2 HIS 122 HB1 HIS 122 6.752 -6.008 9.711 906 HB3 HIS 122 HB2 HIS 122 5.781 -6.171 11.170 907 HD1 HIS 122 HD1 HIS 122 5.418 -8.494 11.915 908 HD2 HIS 122 HD2 HIS 122 6.215 -8.288 7.843 909 HE1 HIS 122 HE1 HIS 122 5.518 -10.879 11.129 910 HE2 HIS 122 HE2 HIS 122 6.084 -10.733 8.679 911 H PHE 123 HN PHE 123 5.816 -3.506 8.806 912 HA PHE 123 HA PHE 123 5.066 -2.009 11.129 913 HB2 PHE 123 HB2 PHE 123 6.396 -1.153 8.554 914 HB3 PHE 123 HB1 PHE 123 6.169 -0.103 9.949 915 HD1 PHE 123 HD2 PHE 123 6.841 -1.819 12.195 916 HD2 PHE 123 HD1 PHE 123 8.658 -1.522 8.357 917 HE1 PHE 123 HE2 PHE 123 8.966 -2.619 13.143 918 HE2 PHE 123 HE1 PHE 123 10.786 -2.322 9.299 919 HZ PHE 123 HZ PHE 123 10.942 -2.871 11.695 920 H LEU 124 HN LEU 124 4.257 -1.664 7.672 921 HA LEU 124 HA LEU 124 2.499 0.464 7.891 922 HB2 LEU 124 HB2 LEU 124 3.280 -0.271 5.751 923 HB3 LEU 124 HB1 LEU 124 2.528 -1.840 5.952 924 HG LEU 124 HG LEU 124 0.311 -0.820 5.808 925 HD11 LEU 124 HD11 LEU 124 0.060 1.540 5.226 926 HD12 LEU 124 HD12 LEU 124 1.800 1.769 5.397 927 HD13 LEU 124 HD13 LEU 124 0.824 1.342 6.802 928 HD21 LEU 124 HD21 LEU 124 0.368 -0.192 3.465 929 HD22 LEU 124 HD22 LEU 124 1.438 -1.563 3.759 930 HD23 LEU 124 HD23 LEU 124 2.112 0.053 3.554 931 H ARG 125 HN ARG 125 1.619 -2.993 7.751 932 HA ARG 125 HA ARG 125 -1.080 -2.833 8.065 933 HB2 ARG 125 HB2 ARG 125 0.309 -4.927 7.829 934 HB3 ARG 125 HB1 ARG 125 0.606 -4.840 9.560 935 HG2 ARG 125 HG2 ARG 125 -1.854 -4.936 9.921 936 HG3 ARG 125 HG1 ARG 125 -2.047 -5.201 8.187 937 HD2 ARG 125 HD1 ARG 125 -2.102 -7.331 9.265 938 HD3 ARG 125 HD2 ARG 125 -0.571 -7.199 8.400 939 HE ARG 125 HE ARG 125 -0.700 -6.609 11.274 940 HH11 ARG 125 HH11 ARG 125 0.521 -8.501 8.616 941 HH12 ARG 125 HH12 ARG 125 1.724 -9.301 9.570 942 HH21 ARG 125 HH21 ARG 125 0.880 -7.657 12.538 943 HH22 ARG 125 HH22 ARG 125 1.928 -8.822 11.800 944 H GLY 126 HN GLY 126 1.352 -2.533 10.619 945 HA2 GLY 126 HA2 GLY 126 -0.459 -2.482 12.789 946 HA3 GLY 126 HA1 GLY 126 1.188 -1.872 12.806 947 H PHE 127 HN PHE 127 0.734 0.055 10.654 948 HA PHE 127 HA PHE 127 -0.097 2.252 12.219 949 HB2 PHE 127 HB2 PHE 127 1.466 2.693 10.499 950 HB3 PHE 127 HB1 PHE 127 0.474 1.900 9.282 951 HD1 PHE 127 HD2 PHE 127 0.092 4.702 11.727 952 HD2 PHE 127 HD1 PHE 127 -0.503 3.287 7.759 953 HE1 PHE 127 HE2 PHE 127 -0.880 6.875 11.103 954 HE2 PHE 127 HE1 PHE 127 -1.475 5.457 7.126 955 HZ PHE 127 HZ PHE 127 -1.665 7.254 8.800 956 H ALA 128 HN ALA 128 -1.729 0.258 9.837 957 HA ALA 128 HA ALA 128 -4.042 1.913 9.617 958 HB1 ALA 128 HB1 ALA 128 -4.998 0.108 8.347 959 HB2 ALA 128 HB2 ALA 128 -3.756 -1.003 8.923 960 HB3 ALA 128 HB3 ALA 128 -3.319 0.334 7.861 961 H ALA 129 HN ALA 129 -2.947 0.119 12.161 962 HA ALA 129 HA ALA 129 -5.429 -1.071 12.994 963 HB1 ALA 129 HB1 ALA 129 -4.248 -1.638 15.040 964 HB2 ALA 129 HB2 ALA 129 -2.907 -0.590 14.577 965 HB3 ALA 129 HB3 ALA 129 -3.263 -2.035 13.632 966 H GLY 130 HN GLY 130 -3.885 2.003 13.331 967 HA2 GLY 130 HA1 GLY 130 -5.639 2.787 15.537 968 HA3 GLY 130 HA2 GLY 130 -4.308 3.730 14.887 969 H HIS 131 HN HIS 131 -6.067 2.553 12.332 970 HA HIS 131 HA HIS 131 -7.213 5.153 11.819 971 HB2 HIS 131 HB2 HIS 131 -6.687 2.698 10.261 972 HB3 HIS 131 HB1 HIS 131 -8.104 3.619 9.764 973 HD1 HIS 131 HD1 HIS 131 -7.566 6.264 9.284 974 HD2 HIS 131 HD2 HIS 131 -4.358 3.624 9.221 975 HE1 HIS 131 HE1 HIS 131 -5.734 7.463 8.049 976 HE2 HIS 131 HE2 HIS 131 -3.841 5.803 7.929 977 HA PRO 132 HA PRO 132 -11.320 4.514 13.275 978 HB2 PRO 132 HB1 PRO 132 -12.280 5.689 10.725 979 HB3 PRO 132 HB2 PRO 132 -12.574 6.213 12.387 980 HG2 PRO 132 HG2 PRO 132 -10.917 7.570 10.795 981 HG3 PRO 132 HG1 PRO 132 -10.562 7.359 12.520 982 HD2 PRO 132 HD1 PRO 132 -9.400 5.940 10.155 983 HD3 PRO 132 HD2 PRO 132 -8.600 6.507 11.636 984 H GLU 133 HN GLU 133 -10.559 3.583 9.971 985 HA GLU 133 HA GLU 133 -12.758 1.644 9.980 986 HB2 GLU 133 HB1 GLU 133 -11.033 2.776 7.787 987 HB3 GLU 133 HB2 GLU 133 -12.050 1.364 7.534 988 HG2 GLU 133 HG2 GLU 133 -14.011 2.568 7.792 989 HG3 GLU 133 HG1 GLU 133 -13.203 3.885 8.635 990 H ALA 134 HN ALA 134 -10.004 1.530 11.341 991 HA ALA 134 HA ALA 134 -8.262 -0.264 10.342 992 HB1 ALA 134 HB1 ALA 134 -7.815 -1.022 12.622 993 HB2 ALA 134 HB2 ALA 134 -9.334 -0.305 13.161 994 HB3 ALA 134 HB3 ALA 134 -8.036 0.727 12.561 995 H ALA 135 HN ALA 135 -11.384 -1.072 11.827 996 HA ALA 135 HA ALA 135 -11.208 -3.824 11.775 997 HB1 ALA 135 HB1 ALA 135 -13.639 -3.848 11.797 998 HB2 ALA 135 HB2 ALA 135 -13.674 -2.163 11.276 999 HB3 ALA 135 HB3 ALA 135 -13.021 -2.584 12.860 1000 H ALA 136 HN ALA 136 -12.310 -1.647 9.186 1001 HA ALA 136 HA ALA 136 -12.926 -3.764 7.379 1002 HB1 ALA 136 HB1 ALA 136 -13.161 -2.006 5.705 1003 HB2 ALA 136 HB2 ALA 136 -12.418 -0.847 6.808 1004 HB3 ALA 136 HB3 ALA 136 -13.977 -1.570 7.205 1005 H ILE 137 HN ILE 137 -10.093 -1.714 7.868 1006 HA ILE 137 HA ILE 137 -8.696 -2.507 5.557 1007 HB ILE 137 HB ILE 137 -7.680 -1.392 8.163 1008 HG12 ILE 137 HG12 ILE 137 -8.096 -0.050 5.486 1009 HG13 ILE 137 HG11 ILE 137 -9.265 0.005 6.802 1010 HG21 ILE 137 HG21 ILE 137 -5.645 -0.809 6.874 1011 HG22 ILE 137 HG22 ILE 137 -6.255 -1.783 5.537 1012 HG23 ILE 137 HG23 ILE 137 -5.871 -2.546 7.080 1013 HD11 ILE 137 HD11 ILE 137 -7.596 1.109 8.214 1014 HD12 ILE 137 HD12 ILE 137 -7.958 2.026 6.752 1015 HD13 ILE 137 HD13 ILE 137 -6.464 1.095 6.861 1016 H TYR 138 HN TYR 138 -8.328 -3.645 8.946 1017 HA TYR 138 HA TYR 138 -6.261 -5.464 8.332 1018 HB2 TYR 138 HB1 TYR 138 -6.275 -6.014 10.543 1019 HB3 TYR 138 HB2 TYR 138 -7.186 -4.512 10.642 1020 HD1 TYR 138 HD2 TYR 138 -9.608 -4.550 11.011 1021 HD2 TYR 138 HD1 TYR 138 -7.324 -8.136 10.973 1022 HE1 TYR 138 HE2 TYR 138 -11.471 -5.741 12.090 1023 HE2 TYR 138 HE1 TYR 138 -9.179 -9.338 12.051 1024 HH TYR 138 HH TYR 138 -11.135 -8.851 13.429 1025 H ARG 139 HN ARG 139 -9.767 -5.793 8.346 1026 HA ARG 139 HA ARG 139 -9.726 -8.635 8.020 1027 HB2 ARG 139 HB2 ARG 139 -12.091 -8.480 7.645 1028 HB3 ARG 139 HB1 ARG 139 -11.675 -7.366 8.939 1029 HG2 ARG 139 HG2 ARG 139 -11.727 -5.508 7.334 1030 HG3 ARG 139 HG1 ARG 139 -12.204 -6.640 6.066 1031 HD2 ARG 139 HD2 ARG 139 -13.744 -6.019 8.583 1032 HD3 ARG 139 HD1 ARG 139 -14.149 -5.484 6.953 1033 HE ARG 139 HE ARG 139 -13.958 -8.332 7.172 1034 HH11 ARG 139 HH11 ARG 139 -16.048 -5.588 7.670 1035 HH12 ARG 139 HH12 ARG 139 -17.507 -6.508 7.513 1036 HH21 ARG 139 HH21 ARG 139 -15.873 -9.549 6.963 1037 HH22 ARG 139 HH22 ARG 139 -17.407 -8.760 7.112 1038 H ALA 140 HN ALA 140 -9.590 -5.876 5.929 1039 HA ALA 140 HA ALA 140 -10.186 -7.218 3.496 1040 HB1 ALA 140 HB1 ALA 140 -10.374 -4.783 3.746 1041 HB2 ALA 140 HB2 ALA 140 -9.336 -5.232 2.393 1042 HB3 ALA 140 HB3 ALA 140 -8.621 -4.674 3.906 1043 H ILE 141 HN ILE 141 -7.244 -6.645 5.324 1044 HA ILE 141 HA ILE 141 -5.629 -7.890 3.241 1045 HB ILE 141 HB ILE 141 -3.700 -7.344 4.684 1046 HG12 ILE 141 HG12 ILE 141 -4.433 -5.572 6.543 1047 HG13 ILE 141 HG11 ILE 141 -5.887 -6.564 6.554 1048 HG21 ILE 141 HG21 ILE 141 -3.838 -4.903 4.425 1049 HG22 ILE 141 HG22 ILE 141 -5.570 -5.050 4.122 1050 HG23 ILE 141 HG23 ILE 141 -4.415 -5.764 2.998 1051 HD11 ILE 141 HD11 ILE 141 -4.300 -7.262 8.261 1052 HD12 ILE 141 HD12 ILE 141 -3.085 -7.559 7.016 1053 HD13 ILE 141 HD13 ILE 141 -4.556 -8.531 7.063 1054 H ASP 142 HN ASP 142 -7.431 -8.865 5.864 1055 HA ASP 142 HA ASP 142 -5.719 -10.904 6.905 1056 HB2 ASP 142 HB2 ASP 142 -7.572 -9.907 8.216 1057 HB3 ASP 142 HB1 ASP 142 -8.728 -10.649 7.113 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -8.806 18.454 13.112 2 H2 MET 1 HT2 MET 1 -10.092 17.735 13.943 3 H3 MET 1 HT3 MET 1 -9.264 16.865 12.751 4 HA MET 1 HA MET 1 -7.262 16.871 14.062 5 HB2 MET 1 HB2 MET 1 -8.960 18.248 16.153 6 HB3 MET 1 HB1 MET 1 -7.291 17.733 16.350 7 HG2 MET 1 HG2 MET 1 -8.299 19.858 14.474 8 HG3 MET 1 HG1 MET 1 -7.401 20.112 15.969 9 HE1 MET 1 HE1 MET 1 -5.689 21.659 14.638 10 HE2 MET 1 HE2 MET 1 -6.579 21.378 13.141 11 HE3 MET 1 HE3 MET 1 -4.831 21.142 13.186 12 H ASN 2 HN ASN 2 -6.865 14.994 15.128 13 HA ASN 2 HA ASN 2 -9.205 13.363 15.789 14 HB2 ASN 2 HB2 ASN 2 -6.311 12.586 15.365 15 HB3 ASN 2 HB1 ASN 2 -7.615 11.458 15.723 16 HD21 ASN 2 HD21 ASN 2 -5.847 11.641 13.402 17 HD22 ASN 2 HD22 ASN 2 -6.885 11.790 12.028 18 H THR 3 HN THR 3 -9.295 12.137 17.729 19 HA THR 3 HA THR 3 -7.971 13.476 19.967 20 HB THR 3 HB THR 3 -10.236 11.473 20.051 21 HG1 THR 3 HG1 THR 3 -10.195 14.123 19.408 22 HG21 THR 3 HG21 THR 3 -10.594 12.337 22.315 23 HG22 THR 3 HG22 THR 3 -9.199 13.400 22.135 24 HG23 THR 3 HG23 THR 3 -8.979 11.650 22.147 25 H GLU 4 HN GLU 4 -7.882 10.569 18.175 26 HA GLU 4 HA GLU 4 -6.283 9.259 20.268 27 HB2 GLU 4 HB2 GLU 4 -8.161 7.893 19.759 28 HB3 GLU 4 HB1 GLU 4 -7.952 8.126 18.029 29 HG2 GLU 4 HG1 GLU 4 -5.893 6.836 18.093 30 HG3 GLU 4 HG2 GLU 4 -6.079 6.616 19.833 31 H GLU 5 HN GLU 5 -4.237 8.605 19.834 32 HA GLU 5 HA GLU 5 -3.227 8.764 17.098 33 HB2 GLU 5 HB1 GLU 5 -1.997 10.247 19.428 34 HB3 GLU 5 HB2 GLU 5 -1.247 10.061 17.849 35 HG2 GLU 5 HG2 GLU 5 -3.118 11.277 16.831 36 HG3 GLU 5 HG1 GLU 5 -3.829 11.493 18.430 37 H GLN 6 HN GLN 6 -1.135 7.717 16.830 38 HA GLN 6 HA GLN 6 -0.396 5.900 19.011 39 HB2 GLN 6 HB2 GLN 6 -0.272 4.007 17.492 40 HB3 GLN 6 HB1 GLN 6 -1.898 4.674 17.499 41 HG2 GLN 6 HG2 GLN 6 -1.452 5.819 15.400 42 HG3 GLN 6 HG1 GLN 6 0.194 5.182 15.397 43 HE21 GLN 6 HE21 GLN 6 -0.053 4.074 13.494 44 HE22 GLN 6 HE22 GLN 6 -1.037 2.662 13.348 45 HA PRO 7 HA PRO 7 3.877 6.627 18.309 46 HB2 PRO 7 HB2 PRO 7 4.135 3.781 17.457 47 HB3 PRO 7 HB1 PRO 7 5.112 4.703 18.604 48 HG2 PRO 7 HG2 PRO 7 3.275 2.980 19.465 49 HG3 PRO 7 HG1 PRO 7 3.531 4.526 20.293 50 HD2 PRO 7 HD2 PRO 7 1.307 3.678 18.511 51 HD3 PRO 7 HD1 PRO 7 1.292 4.809 19.878 52 H VAL 8 HN VAL 8 3.414 4.088 15.937 53 HA VAL 8 HA VAL 8 4.846 5.450 13.920 54 HB VAL 8 HB VAL 8 2.896 3.216 13.410 55 HG11 VAL 8 HG21 VAL 8 4.477 2.625 11.636 56 HG12 VAL 8 HG22 VAL 8 5.480 4.007 12.077 57 HG13 VAL 8 HG23 VAL 8 3.856 4.262 11.440 58 HG21 VAL 8 HG11 VAL 8 4.746 1.650 13.868 59 HG22 VAL 8 HG12 VAL 8 4.237 2.537 15.305 60 HG23 VAL 8 HG13 VAL 8 5.714 3.000 14.461 61 H THR 9 HN THR 9 4.205 7.058 12.669 62 HA THR 9 HA THR 9 1.408 7.183 11.799 63 HB THR 9 HB THR 9 1.366 9.628 12.123 64 HG1 THR 9 HG1 THR 9 3.981 9.209 12.710 65 HG21 THR 9 HG21 THR 9 0.390 8.174 13.833 66 HG22 THR 9 HG22 THR 9 1.093 9.620 14.559 67 HG23 THR 9 HG23 THR 9 1.949 8.081 14.651 68 H ALA 10 HN ALA 10 1.126 7.867 9.726 69 HA ALA 10 HA ALA 10 3.508 8.064 8.103 70 HB1 ALA 10 HB1 ALA 10 1.983 7.974 6.204 71 HB2 ALA 10 HB2 ALA 10 0.603 8.127 7.291 72 HB3 ALA 10 HB3 ALA 10 1.624 6.690 7.358 73 H SER 11 HN SER 11 3.449 9.719 6.269 74 HA SER 11 HA SER 11 2.218 12.256 6.887 75 HB2 SER 11 HB1 SER 11 4.179 12.335 8.364 76 HB3 SER 11 HB2 SER 11 5.234 11.984 6.994 77 HG SER 11 HG SER 11 5.060 13.987 6.335 78 H LEU 12 HN LEU 12 2.581 13.855 5.175 79 HA LEU 12 HA LEU 12 2.927 12.512 2.624 80 HB2 LEU 12 HB2 LEU 12 1.368 14.697 3.592 81 HB3 LEU 12 HB1 LEU 12 2.358 15.258 2.260 82 HG LEU 12 HG LEU 12 0.413 12.949 2.200 83 HD11 LEU 12 HD11 LEU 12 0.358 15.641 0.848 84 HD12 LEU 12 HD12 LEU 12 -0.657 15.137 2.198 85 HD13 LEU 12 HD13 LEU 12 -0.823 14.350 0.628 86 HD21 LEU 12 HD21 LEU 12 2.154 14.045 -0.002 87 HD22 LEU 12 HD22 LEU 12 0.927 12.789 -0.175 88 HD23 LEU 12 HD23 LEU 12 2.361 12.490 0.806 89 H VAL 13 HN VAL 13 4.703 12.585 1.488 90 HA VAL 13 HA VAL 13 6.911 14.265 2.324 91 HB VAL 13 HB VAL 13 6.792 12.283 0.045 92 HG11 VAL 13 HG11 VAL 13 8.607 13.885 -0.191 93 HG12 VAL 13 HG12 VAL 13 9.239 12.292 0.224 94 HG13 VAL 13 HG13 VAL 13 9.138 13.549 1.457 95 HG21 VAL 13 HG21 VAL 13 7.763 11.916 2.878 96 HG22 VAL 13 HG22 VAL 13 7.897 10.729 1.580 97 HG23 VAL 13 HG23 VAL 13 6.307 11.206 2.178 98 H ALA 14 HN ALA 14 8.062 15.692 0.937 99 HA ALA 14 HA ALA 14 6.500 17.497 -0.490 100 HB1 ALA 14 HB1 ALA 14 9.469 17.029 -0.753 101 HB2 ALA 14 HB2 ALA 14 8.690 18.052 0.455 102 HB3 ALA 14 HB3 ALA 14 8.596 18.478 -1.254 103 H GLU 15 HN GLU 15 6.413 17.994 -2.738 104 HA GLU 15 HA GLU 15 6.028 15.705 -4.380 105 HB2 GLU 15 HB2 GLU 15 5.510 17.353 -6.154 106 HB3 GLU 15 HB1 GLU 15 4.625 17.653 -4.665 107 HG2 GLU 15 HG1 GLU 15 6.173 19.427 -4.077 108 HG3 GLU 15 HG2 GLU 15 7.112 19.108 -5.535 109 H ALA 16 HN ALA 16 8.620 18.023 -3.996 110 HA ALA 16 HA ALA 16 9.998 17.091 -6.373 111 HB1 ALA 16 HB1 ALA 16 11.661 18.775 -5.842 112 HB2 ALA 16 HB2 ALA 16 10.886 19.076 -4.287 113 HB3 ALA 16 HB3 ALA 16 10.041 19.469 -5.783 114 H GLN 17 HN GLN 17 9.680 15.885 -3.312 115 HA GLN 17 HA GLN 17 12.374 14.689 -3.400 116 HB2 GLN 17 HB2 GLN 17 10.670 15.364 -0.998 117 HB3 GLN 17 HB1 GLN 17 12.150 14.420 -0.921 118 HG2 GLN 17 HG2 GLN 17 11.998 17.232 -1.974 119 HG3 GLN 17 HG1 GLN 17 12.414 16.812 -0.312 120 HE21 GLN 17 HE21 GLN 17 13.416 16.626 -3.648 121 HE22 GLN 17 HE22 GLN 17 15.084 16.303 -3.334 122 H ARG 18 HN ARG 18 9.028 14.136 -3.491 123 HA ARG 18 HA ARG 18 8.953 11.528 -2.370 124 HB2 ARG 18 HB2 ARG 18 6.743 11.358 -3.383 125 HB3 ARG 18 HB1 ARG 18 6.946 12.918 -2.599 126 HG2 ARG 18 HG1 ARG 18 7.419 13.931 -4.794 127 HG3 ARG 18 HG2 ARG 18 7.123 12.366 -5.552 128 HD2 ARG 18 HD2 ARG 18 5.122 13.896 -3.896 129 HD3 ARG 18 HD1 ARG 18 5.167 13.867 -5.659 130 HE ARG 18 HE ARG 18 5.018 11.250 -4.510 131 HH11 ARG 18 HH11 ARG 18 3.155 14.042 -5.451 132 HH12 ARG 18 HH12 ARG 18 1.689 13.147 -5.677 133 HH21 ARG 18 HH21 ARG 18 3.091 10.066 -4.807 134 HH22 ARG 18 HH22 ARG 18 1.653 10.888 -5.311 135 H LEU 19 HN LEU 19 9.881 12.752 -5.480 136 HA LEU 19 HA LEU 19 9.493 10.327 -6.930 137 HB2 LEU 19 HB2 LEU 19 10.568 11.363 -8.731 138 HB3 LEU 19 HB1 LEU 19 9.700 12.647 -7.916 139 HG LEU 19 HG LEU 19 12.648 12.116 -7.542 140 HD11 LEU 19 HD11 LEU 19 11.274 14.113 -9.333 141 HD12 LEU 19 HD12 LEU 19 12.222 12.720 -9.853 142 HD13 LEU 19 HD13 LEU 19 13.006 14.051 -9.002 143 HD21 LEU 19 HD21 LEU 19 11.645 13.288 -5.684 144 HD22 LEU 19 HD22 LEU 19 10.886 14.439 -6.784 145 HD23 LEU 19 HD23 LEU 19 12.642 14.399 -6.624 146 H ASP 20 HN ASP 20 11.926 11.441 -4.775 147 HA ASP 20 HA ASP 20 13.749 9.304 -5.655 148 HB2 ASP 20 HB2 ASP 20 14.589 11.710 -5.506 149 HB3 ASP 20 HB1 ASP 20 14.426 11.548 -3.760 150 H PHE 21 HN PHE 21 11.479 10.108 -3.339 151 HA PHE 21 HA PHE 21 12.646 8.853 -1.052 152 HB2 PHE 21 HB2 PHE 21 10.784 10.589 -1.038 153 HB3 PHE 21 HB1 PHE 21 9.701 9.289 -1.528 154 HD1 PHE 21 HD2 PHE 21 11.926 10.471 1.158 155 HD2 PHE 21 HD1 PHE 21 8.913 7.690 0.022 156 HE1 PHE 21 HE2 PHE 21 11.647 9.818 3.513 157 HE2 PHE 21 HE1 PHE 21 8.628 7.033 2.375 158 HZ PHE 21 HZ PHE 21 9.996 8.096 4.124 159 H LEU 22 HN LEU 22 10.349 7.853 -3.549 160 HA LEU 22 HA LEU 22 9.658 5.362 -2.512 161 HB2 LEU 22 HB2 LEU 22 9.063 6.778 -4.793 162 HB3 LEU 22 HB1 LEU 22 9.957 5.411 -5.425 163 HG LEU 22 HG LEU 22 7.603 4.908 -5.479 164 HD11 LEU 22 HD11 LEU 22 7.557 2.848 -4.226 165 HD12 LEU 22 HD12 LEU 22 8.876 3.406 -3.197 166 HD13 LEU 22 HD13 LEU 22 9.167 3.086 -4.906 167 HD21 LEU 22 HD21 LEU 22 6.857 6.469 -3.765 168 HD22 LEU 22 HD22 LEU 22 7.607 5.472 -2.518 169 HD23 LEU 22 HD23 LEU 22 6.246 4.846 -3.448 170 HA PRO 23 HA PRO 23 13.386 3.468 -4.938 171 HB2 PRO 23 HB2 PRO 23 15.320 5.145 -5.815 172 HB3 PRO 23 HB1 PRO 23 13.905 4.733 -6.790 173 HG2 PRO 23 HG2 PRO 23 14.413 7.172 -5.124 174 HG3 PRO 23 HG1 PRO 23 13.727 7.055 -6.755 175 HD2 PRO 23 HD2 PRO 23 12.195 7.373 -4.545 176 HD3 PRO 23 HD1 PRO 23 11.641 6.473 -5.971 177 H THR 24 HN THR 24 13.672 6.085 -2.722 178 HA THR 24 HA THR 24 16.271 5.337 -1.725 179 HB THR 24 HB THR 24 14.242 7.401 -0.939 180 HG1 THR 24 HG1 THR 24 15.738 8.741 -1.739 181 HG21 THR 24 HG21 THR 24 15.120 6.455 1.159 182 HG22 THR 24 HG22 THR 24 15.652 8.116 0.899 183 HG23 THR 24 HG23 THR 24 16.762 6.777 0.600 184 H TYR 25 HN TYR 25 12.921 4.818 -0.765 185 HA TYR 25 HA TYR 25 13.842 3.405 1.640 186 HB2 TYR 25 HB2 TYR 25 11.288 4.725 0.866 187 HB3 TYR 25 HB1 TYR 25 11.213 3.372 1.990 188 HD1 TYR 25 HD1 TYR 25 13.441 6.350 1.542 189 HD2 TYR 25 HD2 TYR 25 11.058 4.023 4.189 190 HE1 TYR 25 HE1 TYR 25 14.038 7.854 3.394 191 HE2 TYR 25 HE2 TYR 25 11.647 5.522 6.046 192 HH TYR 25 HH TYR 25 13.436 7.098 6.645 193 H PHE 26 HN PHE 26 12.475 2.865 -1.472 194 HA PHE 26 HA PHE 26 11.869 0.076 -0.758 195 HB2 PHE 26 HB2 PHE 26 10.238 1.824 -2.007 196 HB3 PHE 26 HB1 PHE 26 11.058 1.137 -3.404 197 HD1 PHE 26 HD2 PHE 26 9.963 -0.443 -0.212 198 HD2 PHE 26 HD1 PHE 26 9.566 -0.272 -4.445 199 HE1 PHE 26 HE2 PHE 26 8.461 -2.390 -0.145 200 HE2 PHE 26 HE1 PHE 26 8.062 -2.217 -4.386 201 HZ PHE 26 HZ PHE 26 7.509 -3.280 -2.234 202 H GLY 27 HN GLY 27 13.513 2.137 -3.099 203 HA2 GLY 27 HA2 GLY 27 15.828 1.112 -3.562 204 HA3 GLY 27 HA1 GLY 27 14.884 -0.231 -4.190 205 HA PRO 28 HA PRO 28 15.404 3.594 -7.185 206 HB2 PRO 28 HB1 PRO 28 17.710 2.817 -8.482 207 HB3 PRO 28 HB2 PRO 28 17.645 4.024 -7.195 208 HG2 PRO 28 HG1 PRO 28 18.377 1.128 -7.046 209 HG3 PRO 28 HG2 PRO 28 19.119 2.516 -6.229 210 HD2 PRO 28 HD2 PRO 28 17.439 0.858 -4.947 211 HD3 PRO 28 HD1 PRO 28 17.468 2.601 -4.605 212 H ARG 29 HN ARG 29 15.658 0.160 -7.257 213 HA ARG 29 HA ARG 29 14.864 0.100 -10.077 214 HB2 ARG 29 HB2 ARG 29 16.747 -1.330 -9.535 215 HB3 ARG 29 HB1 ARG 29 15.830 -2.107 -8.251 216 HG2 ARG 29 HG1 ARG 29 14.726 -2.199 -11.008 217 HG3 ARG 29 HG2 ARG 29 16.117 -3.217 -10.626 218 HD2 ARG 29 HD1 ARG 29 14.932 -4.335 -8.898 219 HD3 ARG 29 HD2 ARG 29 13.611 -3.169 -8.961 220 HE ARG 29 HE ARG 29 13.159 -4.093 -11.241 221 HH11 ARG 29 HH11 ARG 29 14.789 -5.991 -8.815 222 HH12 ARG 29 HH12 ARG 29 14.281 -7.509 -9.477 223 HH21 ARG 29 HH21 ARG 29 12.486 -6.088 -12.120 224 HH22 ARG 29 HH22 ARG 29 12.973 -7.564 -11.355 225 H LEU 30 HN LEU 30 13.779 -0.856 -6.827 226 HA LEU 30 HA LEU 30 11.508 -2.287 -7.689 227 HB2 LEU 30 HB2 LEU 30 12.322 -1.023 -5.088 228 HB3 LEU 30 HB1 LEU 30 10.796 -1.858 -5.270 229 HG LEU 30 HG LEU 30 12.086 -3.911 -5.928 230 HD11 LEU 30 HD21 LEU 30 14.434 -2.258 -5.008 231 HD12 LEU 30 HD22 LEU 30 14.145 -2.839 -6.648 232 HD13 LEU 30 HD23 LEU 30 14.465 -3.988 -5.350 233 HD21 LEU 30 HD11 LEU 30 11.210 -3.652 -3.686 234 HD22 LEU 30 HD12 LEU 30 12.633 -2.726 -3.211 235 HD23 LEU 30 HD13 LEU 30 12.791 -4.432 -3.631 236 H MET 31 HN MET 31 12.064 1.099 -6.883 237 HA MET 31 HA MET 31 9.698 2.187 -6.365 238 HB2 MET 31 HB2 MET 31 10.339 4.114 -7.877 239 HB3 MET 31 HB1 MET 31 11.538 3.627 -6.687 240 HG2 MET 31 HG2 MET 31 12.983 3.585 -8.366 241 HG3 MET 31 HG1 MET 31 12.184 2.100 -8.875 242 HE1 MET 31 HE1 MET 31 10.597 5.688 -8.923 243 HE2 MET 31 HE2 MET 31 11.036 6.251 -10.536 244 HE3 MET 31 HE3 MET 31 12.285 6.014 -9.313 245 H MET 32 HN MET 32 10.563 1.031 -9.592 246 HA MET 32 HA MET 32 8.001 1.766 -10.682 247 HB2 MET 32 HB1 MET 32 10.606 1.129 -11.697 248 HB3 MET 32 HB2 MET 32 9.408 0.095 -12.468 249 HG2 MET 32 HG2 MET 32 8.087 2.162 -12.916 250 HG3 MET 32 HG1 MET 32 9.493 3.084 -12.399 251 HE1 MET 32 HE1 MET 32 12.180 1.935 -15.040 252 HE2 MET 32 HE2 MET 32 11.848 1.204 -13.470 253 HE3 MET 32 HE3 MET 32 11.876 2.958 -13.636 254 H ARG 33 HN ARG 33 9.807 -1.206 -10.007 255 HA ARG 33 HA ARG 33 7.739 -2.922 -10.917 256 HB2 ARG 33 HB1 ARG 33 9.997 -3.606 -9.030 257 HB3 ARG 33 HB2 ARG 33 9.071 -4.726 -10.021 258 HG2 ARG 33 HG2 ARG 33 10.895 -2.572 -11.069 259 HG3 ARG 33 HG1 ARG 33 11.295 -4.285 -10.942 260 HD2 ARG 33 HD2 ARG 33 9.076 -3.104 -12.608 261 HD3 ARG 33 HD1 ARG 33 10.625 -3.688 -13.216 262 HE ARG 33 HE ARG 33 9.393 -5.757 -11.789 263 HH11 ARG 33 HH11 ARG 33 8.968 -3.928 -14.724 264 HH12 ARG 33 HH12 ARG 33 8.163 -5.213 -15.561 265 HH21 ARG 33 HH21 ARG 33 8.334 -7.455 -12.883 266 HH22 ARG 33 HH22 ARG 33 7.802 -7.218 -14.514 267 H GLY 34 HN GLY 34 7.898 -0.981 -8.223 268 HA2 GLY 34 HA2 GLY 34 6.274 -2.832 -6.604 269 HA3 GLY 34 HA1 GLY 34 7.196 -1.481 -5.962 270 H GLU 35 HN GLU 35 6.451 0.574 -7.641 271 HA GLU 35 HA GLU 35 3.989 1.354 -6.535 272 HB2 GLU 35 HB1 GLU 35 4.121 3.299 -7.934 273 HB3 GLU 35 HB2 GLU 35 5.751 2.916 -7.398 274 HG2 GLU 35 HG1 GLU 35 6.249 1.907 -9.544 275 HG3 GLU 35 HG2 GLU 35 4.597 2.204 -10.085 276 H ALA 36 HN ALA 36 4.860 -0.138 -9.591 277 HA ALA 36 HA ALA 36 2.275 0.082 -10.774 278 HB1 ALA 36 HB1 ALA 36 4.508 -1.840 -11.421 279 HB2 ALA 36 HB2 ALA 36 4.309 -0.228 -12.104 280 HB3 ALA 36 HB3 ALA 36 3.116 -1.481 -12.440 281 H LEU 37 HN LEU 37 3.713 -2.129 -8.524 282 HA LEU 37 HA LEU 37 1.813 -4.239 -8.956 283 HB2 LEU 37 HB2 LEU 37 4.263 -3.943 -7.605 284 HB3 LEU 37 HB1 LEU 37 3.081 -4.377 -6.385 285 HG LEU 37 HG LEU 37 2.428 -6.265 -8.066 286 HD11 LEU 37 HD21 LEU 37 4.322 -7.060 -9.393 287 HD12 LEU 37 HD22 LEU 37 5.246 -5.630 -8.933 288 HD13 LEU 37 HD23 LEU 37 3.792 -5.462 -9.917 289 HD21 LEU 37 HD11 LEU 37 4.199 -7.712 -7.073 290 HD22 LEU 37 HD12 LEU 37 3.314 -6.739 -5.898 291 HD23 LEU 37 HD13 LEU 37 4.935 -6.259 -6.400 292 H VAL 38 HN VAL 38 2.132 -1.544 -6.715 293 HA VAL 38 HA VAL 38 0.108 -2.422 -4.914 294 HB VAL 38 HB VAL 38 0.209 -0.309 -3.877 295 HG11 VAL 38 HG21 VAL 38 2.251 -1.621 -3.642 296 HG12 VAL 38 HG22 VAL 38 2.595 0.108 -3.603 297 HG13 VAL 38 HG23 VAL 38 2.932 -0.826 -5.060 298 HG21 VAL 38 HG11 VAL 38 1.000 1.707 -4.853 299 HG22 VAL 38 HG12 VAL 38 -0.140 0.991 -5.990 300 HG23 VAL 38 HG13 VAL 38 1.594 0.859 -6.279 301 H TYR 39 HN TYR 39 0.123 -0.269 -7.716 302 HA TYR 39 HA TYR 39 -2.653 0.369 -7.519 303 HB2 TYR 39 HB2 TYR 39 -2.140 1.908 -9.067 304 HB3 TYR 39 HB1 TYR 39 -0.477 1.347 -8.947 305 HD1 TYR 39 HD2 TYR 39 0.475 -0.110 -10.650 306 HD2 TYR 39 HD1 TYR 39 -3.521 1.313 -10.968 307 HE1 TYR 39 HE2 TYR 39 0.435 -0.767 -13.020 308 HE2 TYR 39 HE1 TYR 39 -3.572 0.661 -13.338 309 HH TYR 39 HH TYR 39 -1.981 0.250 -15.169 310 H ALA 40 HN ALA 40 -0.844 -2.240 -8.851 311 HA ALA 40 HA ALA 40 -2.652 -3.154 -10.808 312 HB1 ALA 40 HB1 ALA 40 -1.480 -5.288 -10.638 313 HB2 ALA 40 HB2 ALA 40 -0.715 -4.759 -9.140 314 HB3 ALA 40 HB3 ALA 40 -0.339 -3.944 -10.658 315 H TRP 41 HN TRP 41 -2.395 -3.753 -7.344 316 HA TRP 41 HA TRP 41 -4.572 -5.640 -7.314 317 HB2 TRP 41 HB2 TRP 41 -3.024 -4.259 -5.113 318 HB3 TRP 41 HB1 TRP 41 -4.318 -5.411 -4.804 319 HD1 TRP 41 HD1 TRP 41 -0.660 -5.222 -5.534 320 HE1 TRP 41 HE1 TRP 41 0.319 -7.595 -5.724 321 HE3 TRP 41 HE3 TRP 41 -5.020 -7.886 -5.712 322 HZ2 TRP 41 HZ2 TRP 41 -0.632 -10.245 -5.925 323 HZ3 TRP 41 HZ3 TRP 41 -4.898 -10.336 -5.902 324 HH2 TRP 41 HH2 TRP 41 -2.748 -11.490 -6.008 325 H MET 42 HN MET 42 -4.092 -2.229 -6.691 326 HA MET 42 HA MET 42 -6.535 -1.677 -5.417 327 HB2 MET 42 HB2 MET 42 -4.526 -0.190 -5.480 328 HB3 MET 42 HB1 MET 42 -4.913 0.186 -7.153 329 HG2 MET 42 HG2 MET 42 -5.905 1.954 -6.169 330 HG3 MET 42 HG1 MET 42 -7.247 0.818 -6.076 331 HE1 MET 42 HE1 MET 42 -8.134 -0.275 -3.907 332 HE2 MET 42 HE2 MET 42 -7.264 -0.283 -2.373 333 HE3 MET 42 HE3 MET 42 -6.602 -1.136 -3.766 334 H ARG 43 HN ARG 43 -5.694 -1.955 -8.816 335 HA ARG 43 HA ARG 43 -8.198 -0.825 -9.704 336 HB2 ARG 43 HB2 ARG 43 -7.397 -1.456 -11.971 337 HB3 ARG 43 HB1 ARG 43 -6.269 -0.442 -11.084 338 HG2 ARG 43 HG2 ARG 43 -4.876 -2.009 -12.023 339 HG3 ARG 43 HG1 ARG 43 -5.161 -2.693 -10.422 340 HD2 ARG 43 HD2 ARG 43 -5.330 -4.400 -12.158 341 HD3 ARG 43 HD1 ARG 43 -6.874 -4.162 -11.340 342 HE ARG 43 HE ARG 43 -6.809 -2.529 -13.613 343 HH11 ARG 43 HH11 ARG 43 -6.921 -5.909 -12.769 344 HH12 ARG 43 HH12 ARG 43 -7.767 -6.371 -14.208 345 HH21 ARG 43 HH21 ARG 43 -7.922 -3.130 -15.510 346 HH22 ARG 43 HH22 ARG 43 -8.334 -4.792 -15.767 347 H ARG 44 HN ARG 44 -7.196 -3.848 -8.602 348 HA ARG 44 HA ARG 44 -9.054 -5.379 -10.222 349 HB2 ARG 44 HB2 ARG 44 -7.098 -6.065 -8.048 350 HB3 ARG 44 HB1 ARG 44 -8.308 -7.232 -8.567 351 HG2 ARG 44 HG1 ARG 44 -7.439 -7.221 -10.805 352 HG3 ARG 44 HG2 ARG 44 -6.321 -5.916 -10.407 353 HD2 ARG 44 HD1 ARG 44 -5.265 -8.166 -10.460 354 HD3 ARG 44 HD2 ARG 44 -5.096 -7.333 -8.914 355 HE ARG 44 HE ARG 44 -7.312 -8.841 -8.561 356 HH11 ARG 44 HH11 ARG 44 -4.091 -9.564 -9.678 357 HH12 ARG 44 HH12 ARG 44 -4.101 -11.181 -9.057 358 HH21 ARG 44 HH21 ARG 44 -7.331 -10.966 -7.738 359 HH22 ARG 44 HH22 ARG 44 -5.942 -11.978 -7.955 360 H LEU 45 HN LEU 45 -8.655 -4.662 -6.768 361 HA LEU 45 HA LEU 45 -10.882 -5.819 -5.711 362 HB2 LEU 45 HB2 LEU 45 -10.116 -3.038 -4.901 363 HB3 LEU 45 HB1 LEU 45 -10.768 -4.322 -3.914 364 HG LEU 45 HG LEU 45 -8.009 -4.377 -5.123 365 HD11 LEU 45 HD11 LEU 45 -8.170 -2.581 -3.498 366 HD12 LEU 45 HD12 LEU 45 -7.208 -3.912 -2.855 367 HD13 LEU 45 HD13 LEU 45 -8.874 -3.688 -2.320 368 HD21 LEU 45 HD21 LEU 45 -9.316 -6.116 -3.037 369 HD22 LEU 45 HD22 LEU 45 -7.640 -6.228 -3.576 370 HD23 LEU 45 HD23 LEU 45 -8.952 -6.583 -4.699 371 H CYS 46 HN CYS 46 -10.816 -3.083 -7.838 372 HA CYS 46 HA CYS 46 -13.738 -2.895 -7.600 373 HB2 CYS 46 HB2 CYS 46 -12.807 -0.902 -6.567 374 HB3 CYS 46 HB1 CYS 46 -11.805 -0.599 -7.982 375 HG CYS 46 HG CYS 46 -15.187 -0.253 -7.702 376 H GLU 47 HN GLU 47 -14.805 -3.121 -9.461 377 HA GLU 47 HA GLU 47 -13.403 -3.771 -11.854 378 HB2 GLU 47 HB2 GLU 47 -15.554 -4.167 -12.821 379 HB3 GLU 47 HB1 GLU 47 -15.609 -4.748 -11.162 380 HG2 GLU 47 HG1 GLU 47 -16.612 -2.049 -12.012 381 HG3 GLU 47 HG2 GLU 47 -17.628 -3.488 -11.929 382 H ARG 48 HN ARG 48 -14.792 -0.904 -10.538 383 HA ARG 48 HA ARG 48 -14.391 0.510 -13.088 384 HB2 ARG 48 HB1 ARG 48 -16.069 1.303 -10.699 385 HB3 ARG 48 HB2 ARG 48 -15.884 2.249 -12.170 386 HG2 ARG 48 HG1 ARG 48 -16.904 0.409 -13.451 387 HG3 ARG 48 HG2 ARG 48 -17.146 -0.475 -11.942 388 HD2 ARG 48 HD2 ARG 48 -19.184 0.683 -12.633 389 HD3 ARG 48 HD1 ARG 48 -18.570 1.315 -11.106 390 HE ARG 48 HE ARG 48 -17.482 2.984 -12.923 391 HH11 ARG 48 HH11 ARG 48 -20.741 1.873 -12.378 392 HH12 ARG 48 HH12 ARG 48 -21.472 3.327 -12.971 393 HH21 ARG 48 HH21 ARG 48 -18.438 4.901 -13.703 394 HH22 ARG 48 HH22 ARG 48 -20.164 5.048 -13.724 395 H TYR 49 HN TYR 49 -12.113 -0.036 -11.806 396 HA TYR 49 HA TYR 49 -11.406 2.459 -10.412 397 HB2 TYR 49 HB2 TYR 49 -11.183 0.012 -9.338 398 HB3 TYR 49 HB1 TYR 49 -9.639 0.082 -10.182 399 HD1 TYR 49 HD1 TYR 49 -8.284 2.327 -9.790 400 HD2 TYR 49 HD2 TYR 49 -11.287 0.813 -7.193 401 HE1 TYR 49 HE1 TYR 49 -7.345 3.652 -7.941 402 HE2 TYR 49 HE2 TYR 49 -10.360 2.125 -5.337 403 HH TYR 49 HH TYR 49 -8.078 4.598 -5.795 404 H ASN 50 HN ASN 50 -10.767 3.678 -12.154 405 HA ASN 50 HA ASN 50 -9.032 2.636 -14.187 406 HB2 ASN 50 HB1 ASN 50 -9.912 5.461 -13.558 407 HB3 ASN 50 HB2 ASN 50 -8.957 5.010 -14.967 408 HD21 ASN 50 HD21 ASN 50 -10.332 2.498 -15.377 409 HD22 ASN 50 HD22 ASN 50 -11.887 2.890 -16.018 410 H GLY 51 HN GLY 51 -8.642 4.893 -11.464 411 HA2 GLY 51 HA1 GLY 51 -6.217 4.137 -10.551 412 HA3 GLY 51 HA2 GLY 51 -5.797 5.126 -11.940 413 H ALA 52 HN ALA 52 -4.698 6.281 -10.086 414 HA ALA 52 HA ALA 52 -5.992 8.713 -9.580 415 HB1 ALA 52 HB1 ALA 52 -7.347 7.400 -8.017 416 HB2 ALA 52 HB2 ALA 52 -6.365 8.600 -7.177 417 HB3 ALA 52 HB3 ALA 52 -5.882 6.903 -7.170 418 H TYR 53 HN TYR 53 -4.764 9.888 -7.629 419 HA TYR 53 HA TYR 53 -1.952 9.634 -8.288 420 HB2 TYR 53 HB2 TYR 53 -3.638 11.693 -6.931 421 HB3 TYR 53 HB1 TYR 53 -1.906 11.684 -6.626 422 HD1 TYR 53 HD2 TYR 53 -0.532 11.304 -8.979 423 HD2 TYR 53 HD1 TYR 53 -4.309 13.207 -8.525 424 HE1 TYR 53 HE2 TYR 53 -0.145 12.553 -11.063 425 HE2 TYR 53 HE1 TYR 53 -3.935 14.460 -10.609 426 HH TYR 53 HH TYR 53 -2.041 15.204 -11.995 427 H TRP 54 HN TRP 54 -1.200 7.837 -7.255 428 HA TRP 54 HA TRP 54 -1.737 7.195 -4.554 429 HB2 TRP 54 HB1 TRP 54 0.751 6.265 -5.943 430 HB3 TRP 54 HB2 TRP 54 -0.322 5.379 -4.863 431 HD1 TRP 54 HD1 TRP 54 -2.985 5.173 -6.093 432 HE1 TRP 54 HE1 TRP 54 -3.446 4.284 -8.463 433 HE3 TRP 54 HE3 TRP 54 1.655 5.847 -8.133 434 HZ2 TRP 54 HZ2 TRP 54 -2.030 3.911 -10.876 435 HZ3 TRP 54 HZ3 TRP 54 2.018 5.197 -10.478 436 HH2 TRP 54 HH2 TRP 54 0.212 4.248 -11.820 437 H HIS 55 HN HIS 55 -1.339 9.293 -3.589 438 HA HIS 55 HA HIS 55 1.019 10.681 -3.469 439 HB2 HIS 55 HB2 HIS 55 -0.971 10.208 -1.242 440 HB3 HIS 55 HB1 HIS 55 0.302 11.422 -1.194 441 HD1 HIS 55 HD1 HIS 55 -0.055 13.567 -2.534 442 HD2 HIS 55 HD2 HIS 55 -3.106 10.784 -2.990 443 HE1 HIS 55 HE1 HIS 55 -1.916 14.797 -3.694 444 HE2 HIS 55 HE2 HIS 55 -3.705 13.063 -4.062 445 H TYR 56 HN TYR 56 2.959 10.434 -2.561 446 HA TYR 56 HA TYR 56 3.583 7.887 -1.341 447 HB2 TYR 56 HB2 TYR 56 5.364 10.260 -1.947 448 HB3 TYR 56 HB1 TYR 56 5.920 8.680 -1.408 449 HD1 TYR 56 HD1 TYR 56 3.452 7.581 -3.360 450 HD2 TYR 56 HD2 TYR 56 7.064 9.788 -3.803 451 HE1 TYR 56 HE1 TYR 56 3.611 6.845 -5.698 452 HE2 TYR 56 HE2 TYR 56 7.229 9.056 -6.143 453 HH TYR 56 HH TYR 56 6.416 7.202 -7.555 454 H TYR 57 HN TYR 57 3.672 7.514 0.765 455 HA TYR 57 HA TYR 57 3.713 9.836 2.579 456 HB2 TYR 57 HB1 TYR 57 2.206 7.249 2.736 457 HB3 TYR 57 HB2 TYR 57 2.580 8.151 4.201 458 HD1 TYR 57 HD1 TYR 57 0.656 8.157 1.076 459 HD2 TYR 57 HD2 TYR 57 1.501 10.257 4.678 460 HE1 TYR 57 HE1 TYR 57 -1.307 9.589 0.695 461 HE2 TYR 57 HE2 TYR 57 -0.456 11.692 4.309 462 HH TYR 57 HH TYR 57 -2.845 10.990 2.001 463 H ALA 58 HN ALA 58 5.022 9.831 4.336 464 HA ALA 58 HA ALA 58 7.037 7.691 4.444 465 HB1 ALA 58 HB1 ALA 58 7.237 10.544 5.408 466 HB2 ALA 58 HB2 ALA 58 7.917 9.913 3.907 467 HB3 ALA 58 HB3 ALA 58 8.522 9.337 5.461 468 H LEU 59 HN LEU 59 6.393 6.254 5.940 469 HA LEU 59 HA LEU 59 4.938 7.001 8.287 470 HB2 LEU 59 HB2 LEU 59 6.117 4.455 7.244 471 HB3 LEU 59 HB1 LEU 59 5.502 4.536 8.884 472 HG LEU 59 HG LEU 59 3.758 5.397 6.613 473 HD11 LEU 59 HD21 LEU 59 4.126 2.543 7.511 474 HD12 LEU 59 HD22 LEU 59 4.671 3.209 5.970 475 HD13 LEU 59 HD23 LEU 59 2.947 3.134 6.339 476 HD21 LEU 59 HD11 LEU 59 3.045 5.798 8.920 477 HD22 LEU 59 HD12 LEU 59 3.206 4.076 9.265 478 HD23 LEU 59 HD13 LEU 59 1.998 4.634 8.109 479 H SER 60 HN SER 60 5.624 6.986 10.420 480 HA SER 60 HA SER 60 8.230 7.962 10.892 481 HB2 SER 60 HB1 SER 60 6.323 8.565 12.315 482 HB3 SER 60 HB2 SER 60 6.197 6.895 12.866 483 HG SER 60 HG SER 60 8.167 8.815 13.435 484 H ASP 61 HN ASP 61 6.835 4.770 11.039 485 HA ASP 61 HA ASP 61 9.482 3.630 11.372 486 HB2 ASP 61 HB2 ASP 61 7.240 3.162 13.339 487 HB3 ASP 61 HB1 ASP 61 8.625 2.090 13.189 488 H GLY 62 HN GLY 62 6.863 3.764 9.629 489 HA2 GLY 62 HA1 GLY 62 6.587 0.864 9.215 490 HA3 GLY 62 HA2 GLY 62 5.402 2.065 8.730 491 H GLY 63 HN GLY 63 8.558 3.066 8.139 492 HA2 GLY 63 HA2 GLY 63 9.913 3.046 6.258 493 HA3 GLY 63 HA1 GLY 63 8.879 1.802 5.568 494 H PHE 64 HN PHE 64 6.872 2.453 4.594 495 HA PHE 64 HA PHE 64 6.018 5.072 4.225 496 HB2 PHE 64 HB2 PHE 64 6.927 5.802 2.193 497 HB3 PHE 64 HB1 PHE 64 8.317 5.128 3.040 498 HD1 PHE 64 HD2 PHE 64 9.177 2.888 2.397 499 HD2 PHE 64 HD1 PHE 64 6.173 4.897 0.153 500 HE1 PHE 64 HE2 PHE 64 9.620 1.406 0.484 501 HE2 PHE 64 HE1 PHE 64 6.608 3.419 -1.763 502 HZ PHE 64 HZ PHE 64 8.333 1.671 -1.599 503 H TYR 65 HN TYR 65 4.123 5.148 3.088 504 HA TYR 65 HA TYR 65 3.369 2.782 1.526 505 HB2 TYR 65 HB2 TYR 65 1.503 2.274 2.734 506 HB3 TYR 65 HB1 TYR 65 2.464 2.968 4.036 507 HD1 TYR 65 HD2 TYR 65 1.996 5.292 4.814 508 HD2 TYR 65 HD1 TYR 65 -0.495 3.306 1.987 509 HE1 TYR 65 HE2 TYR 65 0.214 6.928 5.245 510 HE2 TYR 65 HE1 TYR 65 -2.282 4.945 2.410 511 HH TYR 65 HH TYR 65 -1.765 7.834 4.126 512 H MET 66 HN MET 66 1.773 3.142 -0.071 513 HA MET 66 HA MET 66 1.420 5.990 -0.763 514 HB2 MET 66 HB2 MET 66 1.341 3.680 -2.700 515 HB3 MET 66 HB1 MET 66 1.466 5.394 -3.068 516 HG2 MET 66 HG1 MET 66 3.691 5.346 -1.860 517 HG3 MET 66 HG2 MET 66 3.557 3.590 -1.897 518 HE1 MET 66 HE1 MET 66 3.286 3.062 -5.850 519 HE2 MET 66 HE2 MET 66 1.929 3.486 -4.808 520 HE3 MET 66 HE3 MET 66 3.101 2.278 -4.281 521 H ALA 67 HN ALA 67 -0.569 6.718 -1.458 522 HA ALA 67 HA ALA 67 -2.804 4.829 -1.482 523 HB1 ALA 67 HB1 ALA 67 -4.136 6.193 0.021 524 HB2 ALA 67 HB2 ALA 67 -2.794 7.320 0.215 525 HB3 ALA 67 HB3 ALA 67 -2.652 5.668 0.818 526 HA PRO 68 HA PRO 68 -3.932 7.248 -5.026 527 HB2 PRO 68 HB2 PRO 68 -6.574 6.535 -5.148 528 HB3 PRO 68 HB1 PRO 68 -5.252 5.516 -5.728 529 HG2 PRO 68 HG2 PRO 68 -6.737 5.401 -3.131 530 HG3 PRO 68 HG1 PRO 68 -6.225 4.073 -4.188 531 HD2 PRO 68 HD2 PRO 68 -4.868 4.710 -1.956 532 HD3 PRO 68 HD1 PRO 68 -4.042 4.135 -3.420 533 H ASP 69 HN ASP 69 -5.378 8.991 -5.649 534 HA ASP 69 HA ASP 69 -6.364 10.486 -3.311 535 HB2 ASP 69 HB2 ASP 69 -4.458 11.492 -4.593 536 HB3 ASP 69 HB1 ASP 69 -5.524 11.603 -5.991 537 H LEU 70 HN LEU 70 -8.436 9.503 -3.376 538 HA LEU 70 HA LEU 70 -10.200 10.711 -5.356 539 HB2 LEU 70 HB2 LEU 70 -10.310 7.780 -4.646 540 HB3 LEU 70 HB1 LEU 70 -11.391 8.625 -5.734 541 HG LEU 70 HG LEU 70 -8.437 8.387 -6.265 542 HD11 LEU 70 HD21 LEU 70 -9.377 6.141 -6.064 543 HD12 LEU 70 HD22 LEU 70 -8.963 6.516 -7.737 544 HD13 LEU 70 HD23 LEU 70 -10.645 6.567 -7.213 545 HD21 LEU 70 HD11 LEU 70 -9.626 10.145 -7.474 546 HD22 LEU 70 HD12 LEU 70 -10.796 8.959 -8.053 547 HD23 LEU 70 HD13 LEU 70 -9.111 8.855 -8.562 548 H ALA 71 HN ALA 71 -12.372 10.789 -4.711 549 HA ALA 71 HA ALA 71 -12.906 11.567 -2.120 550 HB1 ALA 71 HB1 ALA 71 -14.876 10.338 -4.052 551 HB2 ALA 71 HB2 ALA 71 -14.415 12.038 -3.991 552 HB3 ALA 71 HB3 ALA 71 -15.284 11.312 -2.640 553 H GLY 72 HN GLY 72 -14.433 10.431 -0.491 554 HA2 GLY 72 HA2 GLY 72 -13.315 7.791 -0.038 555 HA3 GLY 72 HA1 GLY 72 -14.279 8.733 1.090 556 H ARG 73 HN ARG 73 -14.855 6.169 0.976 557 HA ARG 73 HA ARG 73 -16.533 4.665 0.701 558 HB2 ARG 73 HB2 ARG 73 -18.117 7.110 -0.103 559 HB3 ARG 73 HB1 ARG 73 -18.803 5.533 0.261 560 HG2 ARG 73 HG1 ARG 73 -19.118 6.749 2.214 561 HG3 ARG 73 HG2 ARG 73 -17.681 5.784 2.549 562 HD2 ARG 73 HD1 ARG 73 -16.255 7.680 2.060 563 HD3 ARG 73 HD2 ARG 73 -17.660 8.651 1.616 564 HE ARG 73 HE ARG 73 -18.080 7.776 4.211 565 HH11 ARG 73 HH11 ARG 73 -15.781 9.758 2.499 566 HH12 ARG 73 HH12 ARG 73 -15.434 10.763 3.865 567 HH21 ARG 73 HH21 ARG 73 -17.630 9.097 6.016 568 HH22 ARG 73 HH22 ARG 73 -16.485 10.387 5.865 569 H LEU 74 HN LEU 74 -15.488 3.610 -0.977 570 HA LEU 74 HA LEU 74 -16.719 4.000 -3.614 571 HB2 LEU 74 HB1 LEU 74 -13.800 3.378 -3.159 572 HB3 LEU 74 HB2 LEU 74 -14.593 3.562 -4.712 573 HG LEU 74 HG LEU 74 -14.196 5.748 -2.665 574 HD11 LEU 74 HD21 LEU 74 -12.121 5.105 -3.751 575 HD12 LEU 74 HD22 LEU 74 -12.655 6.687 -4.320 576 HD13 LEU 74 HD23 LEU 74 -12.883 5.262 -5.334 577 HD21 LEU 74 HD11 LEU 74 -15.049 7.240 -4.404 578 HD22 LEU 74 HD12 LEU 74 -16.259 6.054 -3.915 579 HD23 LEU 74 HD13 LEU 74 -15.385 5.847 -5.433 580 H GLU 75 HN GLU 75 -17.493 2.177 -4.488 581 HA GLU 75 HA GLU 75 -17.663 -0.202 -3.056 582 HB2 GLU 75 HB2 GLU 75 -17.877 0.062 -6.059 583 HB3 GLU 75 HB1 GLU 75 -18.606 -1.181 -5.052 584 HG2 GLU 75 HG2 GLU 75 -20.058 0.460 -4.024 585 HG3 GLU 75 HG1 GLU 75 -19.287 1.749 -4.948 586 H ILE 76 HN ILE 76 -15.993 -1.404 -2.460 587 HA ILE 76 HA ILE 76 -14.024 -2.155 -4.512 588 HB ILE 76 HB ILE 76 -13.544 -1.153 -1.740 589 HG12 ILE 76 HG12 ILE 76 -13.239 0.142 -3.957 590 HG13 ILE 76 HG11 ILE 76 -11.946 0.224 -2.764 591 HG21 ILE 76 HG21 ILE 76 -12.562 -3.325 -1.592 592 HG22 ILE 76 HG22 ILE 76 -11.260 -2.156 -1.812 593 HG23 ILE 76 HG23 ILE 76 -11.799 -3.143 -3.170 594 HD11 ILE 76 HD11 ILE 76 -11.161 -0.059 -5.089 595 HD12 ILE 76 HD12 ILE 76 -11.960 -1.632 -5.130 596 HD13 ILE 76 HD13 ILE 76 -10.633 -1.345 -4.006 597 H GLU 77 HN GLU 77 -14.527 -4.195 -4.950 598 HA GLU 77 HA GLU 77 -15.381 -6.016 -2.868 599 HB2 GLU 77 HB2 GLU 77 -15.549 -7.686 -4.700 600 HB3 GLU 77 HB1 GLU 77 -16.485 -6.230 -5.001 601 HG2 GLU 77 HG1 GLU 77 -14.759 -5.415 -6.509 602 HG3 GLU 77 HG2 GLU 77 -13.791 -6.854 -6.189 603 H VAL 78 HN VAL 78 -13.848 -6.646 -1.532 604 HA VAL 78 HA VAL 78 -11.120 -7.003 -2.354 605 HB VAL 78 HB VAL 78 -12.378 -7.696 0.297 606 HG11 VAL 78 HG21 VAL 78 -9.568 -6.993 -0.496 607 HG12 VAL 78 HG22 VAL 78 -10.161 -8.581 -0.013 608 HG13 VAL 78 HG23 VAL 78 -10.129 -7.258 1.152 609 HG21 VAL 78 HG11 VAL 78 -11.249 -5.050 -0.615 610 HG22 VAL 78 HG12 VAL 78 -11.746 -5.441 1.032 611 HG23 VAL 78 HG13 VAL 78 -12.942 -5.395 -0.264 612 H ASN 79 HN ASN 79 -11.083 -8.778 -3.798 613 HA ASN 79 HA ASN 79 -12.374 -11.233 -3.271 614 HB2 ASN 79 HB2 ASN 79 -11.025 -12.116 -5.088 615 HB3 ASN 79 HB1 ASN 79 -11.600 -10.506 -5.516 616 HD21 ASN 79 HD21 ASN 79 -10.128 -8.754 -5.423 617 HD22 ASN 79 HD22 ASN 79 -8.427 -9.022 -5.562 618 H GLY 80 HN GLY 80 -9.208 -9.957 -2.473 619 HA2 GLY 80 HA2 GLY 80 -7.717 -12.080 -1.746 620 HA3 GLY 80 HA1 GLY 80 -7.758 -10.607 -0.791 621 H ASN 81 HN ASN 81 -10.644 -11.086 -0.144 622 HA ASN 81 HA ASN 81 -10.594 -13.518 1.419 623 HB2 ASN 81 HB1 ASN 81 -10.779 -12.534 3.554 624 HB3 ASN 81 HB2 ASN 81 -9.438 -11.702 2.782 625 HD21 ASN 81 HD21 ASN 81 -9.727 -9.575 2.064 626 HD22 ASN 81 HD22 ASN 81 -10.999 -8.584 2.679 627 H GLY 82 HN GLY 82 -12.189 -11.820 -0.673 628 HA2 GLY 82 HA1 GLY 82 -14.381 -11.763 -1.319 629 HA3 GLY 82 HA2 GLY 82 -14.719 -12.887 -0.015 630 H PHE 83 HN PHE 83 -13.228 -9.932 0.927 631 HA PHE 83 HA PHE 83 -15.598 -9.191 2.374 632 HB2 PHE 83 HB2 PHE 83 -13.507 -8.881 3.497 633 HB3 PHE 83 HB1 PHE 83 -12.866 -7.921 2.168 634 HD1 PHE 83 HD2 PHE 83 -15.928 -7.843 4.312 635 HD2 PHE 83 HD1 PHE 83 -12.649 -5.701 2.647 636 HE1 PHE 83 HE2 PHE 83 -16.716 -5.788 5.412 637 HE2 PHE 83 HE1 PHE 83 -13.431 -3.643 3.745 638 HZ PHE 83 HZ PHE 83 -15.467 -3.684 5.129 639 H ARG 84 HN ARG 84 -17.125 -8.635 0.823 640 HA ARG 84 HA ARG 84 -16.578 -6.584 -1.118 641 HB2 ARG 84 HB2 ARG 84 -18.220 -8.391 -1.550 642 HB3 ARG 84 HB1 ARG 84 -19.223 -7.773 -0.246 643 HG2 ARG 84 HG2 ARG 84 -19.478 -5.656 -1.478 644 HG3 ARG 84 HG1 ARG 84 -18.535 -6.341 -2.803 645 HD2 ARG 84 HD1 ARG 84 -21.158 -7.397 -1.757 646 HD3 ARG 84 HD2 ARG 84 -20.925 -6.498 -3.255 647 HE ARG 84 HE ARG 84 -19.280 -8.799 -3.219 648 HH11 ARG 84 HH11 ARG 84 -22.599 -7.808 -3.605 649 HH12 ARG 84 HH12 ARG 84 -23.024 -9.167 -4.591 650 HH21 ARG 84 HH21 ARG 84 -19.832 -10.591 -4.516 651 HH22 ARG 84 HH22 ARG 84 -21.452 -10.749 -5.108 652 H GLY 85 HN GLY 85 -16.233 -4.566 -0.386 653 HA2 GLY 85 HA1 GLY 85 -18.314 -3.307 1.192 654 HA3 GLY 85 HA2 GLY 85 -16.780 -3.459 2.029 655 H GLU 86 HN GLU 86 -18.369 -1.115 1.068 656 HA GLU 86 HA GLU 86 -16.728 0.098 -0.973 657 HB2 GLU 86 HB1 GLU 86 -18.878 1.306 0.782 658 HB3 GLU 86 HB2 GLU 86 -18.142 2.080 -0.615 659 HG2 GLU 86 HG2 GLU 86 -19.048 0.324 -2.058 660 HG3 GLU 86 HG1 GLU 86 -19.801 -0.431 -0.654 661 H LEU 87 HN LEU 87 -14.731 0.712 -0.452 662 HA LEU 87 HA LEU 87 -14.323 2.027 2.157 663 HB2 LEU 87 HB2 LEU 87 -13.181 -0.239 1.635 664 HB3 LEU 87 HB1 LEU 87 -12.128 0.704 0.599 665 HG LEU 87 HG LEU 87 -11.459 2.067 2.553 666 HD11 LEU 87 HD21 LEU 87 -13.124 0.090 4.105 667 HD12 LEU 87 HD22 LEU 87 -13.474 1.806 3.895 668 HD13 LEU 87 HD23 LEU 87 -12.048 1.301 4.802 669 HD21 LEU 87 HD11 LEU 87 -10.112 0.333 3.644 670 HD22 LEU 87 HD12 LEU 87 -10.106 0.163 1.889 671 HD23 LEU 87 HD13 LEU 87 -11.100 -0.910 2.876 672 H SER 88 HN SER 88 -12.758 3.742 2.242 673 HA SER 88 HA SER 88 -12.942 5.486 -0.031 674 HB2 SER 88 HB1 SER 88 -11.428 5.823 2.572 675 HB3 SER 88 HB2 SER 88 -11.726 7.094 1.385 676 HG SER 88 HG SER 88 -13.642 5.697 2.939 677 H ALA 89 HN ALA 89 -11.112 6.494 -1.079 678 HA ALA 89 HA ALA 89 -9.258 4.677 -2.101 679 HB1 ALA 89 HB1 ALA 89 -9.058 7.686 -2.053 680 HB2 ALA 89 HB2 ALA 89 -9.922 6.729 -3.256 681 HB3 ALA 89 HB3 ALA 89 -8.169 6.600 -3.122 682 H ASP 90 HN ASP 90 -9.172 6.595 0.769 683 HA ASP 90 HA ASP 90 -6.331 6.517 1.128 684 HB2 ASP 90 HB1 ASP 90 -7.688 8.298 2.133 685 HB3 ASP 90 HB2 ASP 90 -8.540 7.106 3.112 686 H ALA 91 HN ALA 91 -9.037 4.925 2.823 687 HA ALA 91 HA ALA 91 -7.340 3.154 4.264 688 HB1 ALA 91 HB1 ALA 91 -9.393 2.051 4.964 689 HB2 ALA 91 HB2 ALA 91 -10.302 2.942 3.744 690 HB3 ALA 91 HB3 ALA 91 -9.552 3.803 5.086 691 H ALA 92 HN ALA 92 -8.373 3.173 1.047 692 HA ALA 92 HA ALA 92 -8.306 0.278 0.741 693 HB1 ALA 92 HB1 ALA 92 -8.896 0.708 -1.588 694 HB2 ALA 92 HB2 ALA 92 -8.719 2.443 -1.323 695 HB3 ALA 92 HB3 ALA 92 -9.996 1.552 -0.497 696 H GLY 93 HN GLY 93 -6.443 3.152 -0.086 697 HA2 GLY 93 HA2 GLY 93 -4.518 1.961 -1.731 698 HA3 GLY 93 HA1 GLY 93 -4.260 3.400 -0.752 699 H ILE 94 HN ILE 94 -5.080 1.659 1.630 700 HA ILE 94 HA ILE 94 -2.436 0.974 2.447 701 HB ILE 94 HB ILE 94 -4.802 -0.165 3.867 702 HG12 ILE 94 HG12 ILE 94 -5.606 2.060 3.279 703 HG13 ILE 94 HG11 ILE 94 -5.221 1.997 4.995 704 HG21 ILE 94 HG21 ILE 94 -3.491 0.521 5.841 705 HG22 ILE 94 HG22 ILE 94 -2.256 1.172 4.764 706 HG23 ILE 94 HG23 ILE 94 -2.602 -0.557 4.765 707 HD11 ILE 94 HD11 ILE 94 -3.187 3.205 4.642 708 HD12 ILE 94 HD12 ILE 94 -4.518 4.084 3.887 709 HD13 ILE 94 HD13 ILE 94 -3.407 3.142 2.892 710 H VAL 95 HN VAL 95 -5.287 -0.855 1.470 711 HA VAL 95 HA VAL 95 -4.082 -3.422 1.798 712 HB VAL 95 HB VAL 95 -6.534 -2.675 0.197 713 HG11 VAL 95 HG11 VAL 95 -5.695 -4.886 -0.350 714 HG12 VAL 95 HG12 VAL 95 -7.193 -5.012 0.573 715 HG13 VAL 95 HG13 VAL 95 -5.644 -5.311 1.361 716 HG21 VAL 95 HG21 VAL 95 -6.701 -1.916 2.520 717 HG22 VAL 95 HG22 VAL 95 -6.331 -3.549 3.077 718 HG23 VAL 95 HG23 VAL 95 -7.821 -3.236 2.184 719 H ALA 96 HN ALA 96 -4.073 -1.025 -0.680 720 HA ALA 96 HA ALA 96 -3.537 -2.799 -2.867 721 HB1 ALA 96 HB1 ALA 96 -3.126 0.181 -2.652 722 HB2 ALA 96 HB2 ALA 96 -4.595 -0.621 -3.212 723 HB3 ALA 96 HB3 ALA 96 -3.101 -0.769 -4.138 724 H THR 97 HN THR 97 -1.551 -0.569 -0.915 725 HA THR 97 HA THR 97 0.881 -1.284 -2.222 726 HB THR 97 HB THR 97 0.810 0.861 -1.175 727 HG1 THR 97 HG1 THR 97 2.794 -0.475 -0.974 728 HG21 THR 97 HG21 THR 97 -0.901 0.295 0.536 729 HG22 THR 97 HG22 THR 97 0.454 1.219 1.181 730 HG23 THR 97 HG23 THR 97 0.355 -0.519 1.471 731 H LEU 98 HN LEU 98 -0.713 -2.280 0.771 732 HA LEU 98 HA LEU 98 1.328 -3.865 1.829 733 HB2 LEU 98 HB2 LEU 98 -1.653 -3.910 2.077 734 HB3 LEU 98 HB1 LEU 98 -0.703 -5.193 2.799 735 HG LEU 98 HG LEU 98 -0.357 -2.257 3.417 736 HD11 LEU 98 HD21 LEU 98 -1.775 -4.428 4.954 737 HD12 LEU 98 HD22 LEU 98 -2.516 -3.016 4.201 738 HD13 LEU 98 HD23 LEU 98 -1.420 -2.812 5.568 739 HD21 LEU 98 HD11 LEU 98 1.675 -3.546 3.744 740 HD22 LEU 98 HD12 LEU 98 0.789 -4.729 4.706 741 HD23 LEU 98 HD13 LEU 98 0.983 -3.081 5.298 742 H PHE 99 HN PHE 99 -1.365 -4.838 -0.307 743 HA PHE 99 HA PHE 99 -0.707 -7.544 -0.494 744 HB2 PHE 99 HB1 PHE 99 -2.384 -5.657 -1.997 745 HB3 PHE 99 HB2 PHE 99 -1.791 -7.012 -2.953 746 HD1 PHE 99 HD2 PHE 99 -3.818 -6.049 -0.042 747 HD2 PHE 99 HD1 PHE 99 -2.577 -9.229 -2.586 748 HE1 PHE 99 HE2 PHE 99 -5.580 -7.489 0.898 749 HE2 PHE 99 HE1 PHE 99 -4.337 -10.671 -1.652 750 HZ PHE 99 HZ PHE 99 -5.841 -9.802 0.094 751 H ALA 100 HN ALA 100 0.527 -4.768 -2.246 752 HA ALA 100 HA ALA 100 1.917 -6.202 -4.252 753 HB1 ALA 100 HB1 ALA 100 1.375 -3.820 -4.451 754 HB2 ALA 100 HB2 ALA 100 3.099 -4.117 -4.671 755 HB3 ALA 100 HB3 ALA 100 2.506 -3.457 -3.147 756 H LEU 101 HN LEU 101 2.825 -5.042 -1.045 757 HA LEU 101 HA LEU 101 5.560 -5.564 -1.126 758 HB2 LEU 101 HB2 LEU 101 3.690 -5.825 1.228 759 HB3 LEU 101 HB1 LEU 101 5.434 -5.712 1.327 760 HG LEU 101 HG LEU 101 3.608 -3.549 0.275 761 HD11 LEU 101 HD11 LEU 101 5.075 -3.802 2.899 762 HD12 LEU 101 HD12 LEU 101 3.328 -3.852 2.663 763 HD13 LEU 101 HD13 LEU 101 4.217 -2.365 2.343 764 HD21 LEU 101 HD21 LEU 101 5.603 -2.147 0.323 765 HD22 LEU 101 HD22 LEU 101 5.813 -3.516 -0.768 766 HD23 LEU 101 HD23 LEU 101 6.573 -3.533 0.823 767 H GLY 102 HN GLY 102 2.859 -7.699 -0.314 768 HA2 GLY 102 HA2 GLY 102 4.427 -9.907 0.505 769 HA3 GLY 102 HA1 GLY 102 2.745 -9.969 0.004 770 H GLN 103 HN GLN 103 3.288 -8.877 -2.663 771 HA GLN 103 HA GLN 103 3.939 -11.366 -3.928 772 HB2 GLN 103 HB1 GLN 103 2.203 -9.723 -4.745 773 HB3 GLN 103 HB2 GLN 103 3.529 -8.697 -5.276 774 HG2 GLN 103 HG1 GLN 103 4.211 -10.220 -6.908 775 HG3 GLN 103 HG2 GLN 103 3.298 -11.542 -6.183 776 HE21 GLN 103 HE22 GLN 103 3.161 -8.730 -8.201 777 HE22 GLN 103 HE21 GLN 103 1.561 -8.981 -8.799 778 H LEU 104 HN LEU 104 5.455 -8.143 -3.858 779 HA LEU 104 HA LEU 104 7.642 -8.756 -5.497 780 HB2 LEU 104 HB2 LEU 104 7.359 -6.750 -3.265 781 HB3 LEU 104 HB1 LEU 104 8.754 -6.829 -4.323 782 HG LEU 104 HG LEU 104 5.935 -6.350 -5.288 783 HD11 LEU 104 HD21 LEU 104 8.149 -4.363 -4.803 784 HD12 LEU 104 HD22 LEU 104 6.677 -4.523 -3.845 785 HD13 LEU 104 HD23 LEU 104 6.581 -4.016 -5.531 786 HD21 LEU 104 HD11 LEU 104 7.016 -5.668 -7.353 787 HD22 LEU 104 HD12 LEU 104 7.456 -7.325 -6.946 788 HD23 LEU 104 HD13 LEU 104 8.600 -6.013 -6.659 789 H ALA 105 HN ALA 105 7.298 -8.920 -1.968 790 HA ALA 105 HA ALA 105 9.920 -9.625 -1.331 791 HB1 ALA 105 HB1 ALA 105 8.275 -8.940 0.334 792 HB2 ALA 105 HB2 ALA 105 8.997 -10.492 0.760 793 HB3 ALA 105 HB3 ALA 105 7.374 -10.433 0.072 794 H ALA 106 HN ALA 106 7.221 -11.589 -2.436 795 HA ALA 106 HA ALA 106 8.774 -14.042 -2.114 796 HB1 ALA 106 HB1 ALA 106 6.709 -15.202 -2.679 797 HB2 ALA 106 HB2 ALA 106 5.925 -13.658 -3.016 798 HB3 ALA 106 HB3 ALA 106 6.444 -14.043 -1.375 799 H GLU 107 HN GLU 107 8.272 -11.701 -4.460 800 HA GLU 107 HA GLU 107 8.265 -13.426 -6.763 801 HB2 GLU 107 HB1 GLU 107 7.216 -11.205 -6.834 802 HB3 GLU 107 HB2 GLU 107 8.777 -10.453 -6.541 803 HG2 GLU 107 HG1 GLU 107 9.605 -11.334 -8.660 804 HG3 GLU 107 HG2 GLU 107 8.042 -12.096 -8.954 805 H ILE 108 HN ILE 108 10.647 -11.587 -4.943 806 HA ILE 108 HA ILE 108 12.779 -12.093 -6.797 807 HB ILE 108 HB ILE 108 14.239 -11.206 -4.951 808 HG12 ILE 108 HG11 ILE 108 11.583 -10.678 -3.596 809 HG13 ILE 108 HG12 ILE 108 12.746 -11.895 -3.081 810 HG21 ILE 108 HG21 ILE 108 13.425 -8.902 -5.178 811 HG22 ILE 108 HG22 ILE 108 11.896 -9.514 -5.809 812 HG23 ILE 108 HG23 ILE 108 13.388 -9.769 -6.713 813 HD11 ILE 108 HD11 ILE 108 13.237 -8.929 -3.161 814 HD12 ILE 108 HD12 ILE 108 14.377 -10.157 -2.612 815 HD13 ILE 108 HD13 ILE 108 12.881 -9.882 -1.721 816 H ALA 109 HN ALA 109 13.585 -14.064 -7.061 817 HA ALA 109 HA ALA 109 13.345 -16.146 -5.151 818 HB1 ALA 109 HB1 ALA 109 13.456 -16.569 -7.560 819 HB2 ALA 109 HB2 ALA 109 14.700 -17.462 -6.683 820 HB3 ALA 109 HB3 ALA 109 15.127 -16.004 -7.580 821 H ASP 110 HN ASP 110 14.288 -15.494 -3.225 822 HA ASP 110 HA ASP 110 17.002 -16.124 -2.860 823 HB2 ASP 110 HB2 ASP 110 17.837 -13.876 -2.174 824 HB3 ASP 110 HB1 ASP 110 17.496 -13.997 -3.897 825 H THR 111 HN THR 111 17.660 -14.848 -0.567 826 HA THR 111 HA THR 111 15.353 -15.036 1.225 827 HB THR 111 HB THR 111 16.324 -17.271 1.260 828 HG1 THR 111 HG1 THR 111 15.571 -16.277 3.254 829 HG21 THR 111 HG21 THR 111 18.616 -17.638 2.061 830 HG22 THR 111 HG22 THR 111 18.882 -15.895 2.087 831 HG23 THR 111 HG23 THR 111 18.597 -16.720 0.555 832 H ASP 112 HN ASP 112 17.611 -13.112 0.158 833 HA ASP 112 HA ASP 112 18.493 -12.117 2.777 834 HB2 ASP 112 HB1 ASP 112 20.124 -10.758 1.475 835 HB3 ASP 112 HB2 ASP 112 20.320 -12.493 1.244 836 H ALA 113 HN ALA 113 17.318 -10.837 -0.342 837 HA ALA 113 HA ALA 113 16.455 -8.389 0.966 838 HB1 ALA 113 HB1 ALA 113 15.947 -7.595 -1.276 839 HB2 ALA 113 HB2 ALA 113 16.261 -9.202 -1.933 840 HB3 ALA 113 HB3 ALA 113 17.575 -8.271 -1.214 841 H ALA 114 HN ALA 114 15.186 -11.389 0.631 842 HA ALA 114 HA ALA 114 12.462 -10.627 -0.006 843 HB1 ALA 114 HB1 ALA 114 13.582 -13.283 0.880 844 HB2 ALA 114 HB2 ALA 114 13.343 -12.769 -0.791 845 HB3 ALA 114 HB3 ALA 114 11.952 -12.995 0.271 846 H ASP 115 HN ASP 115 14.384 -10.528 2.707 847 HA ASP 115 HA ASP 115 12.047 -10.689 4.492 848 HB2 ASP 115 HB1 ASP 115 14.938 -11.276 5.169 849 HB3 ASP 115 HB2 ASP 115 13.591 -11.322 6.302 850 H ALA 116 HN ALA 116 14.395 -8.704 3.136 851 HA ALA 116 HA ALA 116 14.715 -6.878 5.328 852 HB1 ALA 116 HB1 ALA 116 16.453 -7.137 3.626 853 HB2 ALA 116 HB2 ALA 116 15.884 -5.470 3.718 854 HB3 ALA 116 HB3 ALA 116 15.348 -6.513 2.400 855 H LEU 117 HN LEU 117 12.901 -6.827 2.257 856 HA LEU 117 HA LEU 117 11.667 -4.319 2.876 857 HB2 LEU 117 HB2 LEU 117 10.684 -4.412 0.794 858 HB3 LEU 117 HB1 LEU 117 12.130 -5.366 0.550 859 HG LEU 117 HG LEU 117 10.455 -6.526 -0.579 860 HD11 LEU 117 HD21 LEU 117 10.318 -8.631 0.492 861 HD12 LEU 117 HD22 LEU 117 10.499 -7.906 2.087 862 HD13 LEU 117 HD23 LEU 117 11.857 -7.911 0.963 863 HD21 LEU 117 HD11 LEU 117 8.700 -6.060 1.818 864 HD22 LEU 117 HD12 LEU 117 8.282 -7.134 0.482 865 HD23 LEU 117 HD13 LEU 117 8.505 -5.408 0.192 866 H ILE 118 HN ILE 118 11.085 -7.552 3.742 867 HA ILE 118 HA ILE 118 8.317 -7.665 3.998 868 HB ILE 118 HB ILE 118 10.572 -8.975 5.475 869 HG12 ILE 118 HG12 ILE 118 9.961 -9.806 3.261 870 HG13 ILE 118 HG11 ILE 118 9.587 -11.005 4.495 871 HG21 ILE 118 HG21 ILE 118 7.657 -9.314 6.170 872 HG22 ILE 118 HG22 ILE 118 8.887 -8.572 7.191 873 HG23 ILE 118 HG23 ILE 118 8.988 -10.288 6.795 874 HD11 ILE 118 HD11 ILE 118 7.610 -9.161 3.175 875 HD12 ILE 118 HD12 ILE 118 7.236 -10.366 4.406 876 HD13 ILE 118 HD13 ILE 118 7.832 -10.875 2.826 877 H ASP 119 HN ASP 119 10.712 -6.014 5.876 878 HA ASP 119 HA ASP 119 9.363 -5.540 8.253 879 HB2 ASP 119 HB2 ASP 119 11.537 -4.217 6.736 880 HB3 ASP 119 HB1 ASP 119 10.742 -3.247 7.968 881 H ARG 120 HN ARG 120 9.317 -3.673 5.236 882 HA ARG 120 HA ARG 120 7.784 -1.524 6.025 883 HB2 ARG 120 HB1 ARG 120 7.221 -2.706 3.344 884 HB3 ARG 120 HB2 ARG 120 7.485 -1.030 3.792 885 HG2 ARG 120 HG2 ARG 120 9.531 -3.175 3.335 886 HG3 ARG 120 HG1 ARG 120 9.326 -1.649 2.476 887 HD2 ARG 120 HD1 ARG 120 9.833 -0.528 4.711 888 HD3 ARG 120 HD2 ARG 120 10.390 -2.117 5.237 889 HE ARG 120 HE ARG 120 11.703 -1.642 2.879 890 HH11 ARG 120 HH11 ARG 120 11.448 -0.038 5.963 891 HH12 ARG 120 HH12 ARG 120 13.035 0.647 5.882 892 HH21 ARG 120 HH21 ARG 120 13.796 -0.742 2.765 893 HH22 ARG 120 HH22 ARG 120 14.370 0.248 4.065 894 H TYR 121 HN TYR 121 6.725 -4.745 5.053 895 HA TYR 121 HA TYR 121 3.954 -4.110 5.055 896 HB2 TYR 121 HB2 TYR 121 4.947 -6.039 3.821 897 HB3 TYR 121 HB1 TYR 121 5.240 -6.829 5.367 898 HD1 TYR 121 HD1 TYR 121 3.166 -7.236 6.872 899 HD2 TYR 121 HD2 TYR 121 2.931 -6.379 2.713 900 HE1 TYR 121 HE1 TYR 121 0.906 -8.203 6.805 901 HE2 TYR 121 HE2 TYR 121 0.672 -7.344 2.634 902 HH TYR 121 HH TYR 121 -0.686 -8.958 3.916 903 H HIS 122 HN HIS 122 5.981 -5.938 7.333 904 HA HIS 122 HA HIS 122 4.080 -6.461 9.268 905 HB2 HIS 122 HB1 HIS 122 7.051 -6.025 9.462 906 HB3 HIS 122 HB2 HIS 122 6.082 -6.451 10.869 907 HD1 HIS 122 HD1 HIS 122 7.078 -8.769 11.189 908 HD2 HIS 122 HD2 HIS 122 5.497 -8.173 7.392 909 HE1 HIS 122 HE1 HIS 122 7.044 -11.040 10.110 910 HE2 HIS 122 HE2 HIS 122 5.994 -10.669 7.850 911 H PHE 123 HN PHE 123 5.768 -3.464 8.628 912 HA PHE 123 HA PHE 123 4.843 -2.292 11.125 913 HB2 PHE 123 HB1 PHE 123 6.422 -1.104 8.835 914 HB3 PHE 123 HB2 PHE 123 6.029 -0.258 10.327 915 HD1 PHE 123 HD1 PHE 123 6.486 -2.428 12.305 916 HD2 PHE 123 HD2 PHE 123 8.739 -1.240 8.894 917 HE1 PHE 123 HE1 PHE 123 8.529 -3.313 13.349 918 HE2 PHE 123 HE2 PHE 123 10.784 -2.127 9.932 919 HZ PHE 123 HZ PHE 123 10.681 -3.166 12.162 920 H LEU 124 HN LEU 124 4.428 -1.674 7.640 921 HA LEU 124 HA LEU 124 2.584 0.358 7.717 922 HB2 LEU 124 HB1 LEU 124 3.703 -0.832 5.721 923 HB3 LEU 124 HB2 LEU 124 2.337 -1.924 5.777 924 HG LEU 124 HG LEU 124 2.079 1.062 5.421 925 HD11 LEU 124 HD11 LEU 124 1.676 0.575 3.058 926 HD12 LEU 124 HD12 LEU 124 2.060 -1.122 3.344 927 HD13 LEU 124 HD13 LEU 124 3.305 0.110 3.549 928 HD21 LEU 124 HD21 LEU 124 -0.180 0.512 4.668 929 HD22 LEU 124 HD22 LEU 124 0.092 -0.014 6.329 930 HD23 LEU 124 HD23 LEU 124 0.117 -1.191 5.016 931 H ARG 125 HN ARG 125 1.804 -3.111 7.469 932 HA ARG 125 HA ARG 125 -0.916 -3.017 7.687 933 HB2 ARG 125 HB2 ARG 125 0.248 -5.099 7.299 934 HB3 ARG 125 HB1 ARG 125 0.976 -5.036 8.899 935 HG2 ARG 125 HG2 ARG 125 -1.151 -5.381 9.946 936 HG3 ARG 125 HG1 ARG 125 -1.982 -5.256 8.394 937 HD2 ARG 125 HD1 ARG 125 -1.699 -7.588 9.183 938 HD3 ARG 125 HD2 ARG 125 -0.957 -7.276 7.614 939 HE ARG 125 HE ARG 125 1.183 -7.322 8.674 940 HH11 ARG 125 HH11 ARG 125 -1.471 -8.296 10.709 941 HH12 ARG 125 HH12 ARG 125 -0.467 -9.152 11.830 942 HH21 ARG 125 HH21 ARG 125 2.515 -8.448 10.144 943 HH22 ARG 125 HH22 ARG 125 1.799 -9.239 11.509 944 H GLY 126 HN GLY 126 1.451 -2.773 10.290 945 HA2 GLY 126 HA2 GLY 126 -0.401 -2.869 12.431 946 HA3 GLY 126 HA1 GLY 126 1.234 -2.233 12.509 947 H PHE 127 HN PHE 127 0.814 -0.221 10.444 948 HA PHE 127 HA PHE 127 -0.094 1.891 12.074 949 HB2 PHE 127 HB1 PHE 127 1.513 2.353 10.352 950 HB3 PHE 127 HB2 PHE 127 0.434 1.738 9.105 951 HD1 PHE 127 HD1 PHE 127 0.840 4.455 11.591 952 HD2 PHE 127 HD2 PHE 127 -1.082 3.149 8.025 953 HE1 PHE 127 HE1 PHE 127 -0.049 6.723 11.242 954 HE2 PHE 127 HE2 PHE 127 -1.974 5.414 7.671 955 HZ PHE 127 HZ PHE 127 -1.457 7.204 9.280 956 H ALA 128 HN ALA 128 -1.629 0.030 9.514 957 HA ALA 128 HA ALA 128 -3.940 1.611 9.232 958 HB1 ALA 128 HB1 ALA 128 -3.228 -0.037 7.570 959 HB2 ALA 128 HB2 ALA 128 -4.893 -0.306 8.085 960 HB3 ALA 128 HB3 ALA 128 -3.603 -1.335 8.703 961 H ALA 129 HN ALA 129 -2.936 -0.319 11.813 962 HA ALA 129 HA ALA 129 -5.478 -1.305 12.659 963 HB1 ALA 129 HB1 ALA 129 -2.949 -0.913 14.256 964 HB2 ALA 129 HB2 ALA 129 -3.378 -2.362 13.347 965 HB3 ALA 129 HB3 ALA 129 -4.346 -1.875 14.738 966 H GLY 130 HN GLY 130 -3.775 1.691 13.010 967 HA2 GLY 130 HA1 GLY 130 -5.481 2.591 15.196 968 HA3 GLY 130 HA2 GLY 130 -4.154 3.489 14.474 969 H HIS 131 HN HIS 131 -5.950 2.280 11.991 970 HA HIS 131 HA HIS 131 -7.030 4.849 11.343 971 HB2 HIS 131 HB2 HIS 131 -6.742 2.232 10.011 972 HB3 HIS 131 HB1 HIS 131 -8.144 3.176 9.507 973 HD1 HIS 131 HD1 HIS 131 -7.713 5.294 8.137 974 HD2 HIS 131 HD2 HIS 131 -4.240 3.358 9.344 975 HE1 HIS 131 HE1 HIS 131 -5.854 6.370 6.829 976 HE2 HIS 131 HE2 HIS 131 -3.768 5.146 7.536 977 HA PRO 132 HA PRO 132 -11.059 4.536 13.101 978 HB2 PRO 132 HB2 PRO 132 -12.530 5.917 11.266 979 HB3 PRO 132 HB1 PRO 132 -11.459 6.692 12.438 980 HG2 PRO 132 HG2 PRO 132 -10.963 6.040 9.557 981 HG3 PRO 132 HG1 PRO 132 -10.560 7.515 10.455 982 HD2 PRO 132 HD1 PRO 132 -8.719 5.621 9.920 983 HD3 PRO 132 HD2 PRO 132 -8.687 6.563 11.423 984 H GLU 133 HN GLU 133 -10.280 3.161 10.106 985 HA GLU 133 HA GLU 133 -12.728 1.534 10.191 986 HB2 GLU 133 HB1 GLU 133 -12.588 1.413 7.675 987 HB3 GLU 133 HB2 GLU 133 -13.063 2.974 8.327 988 HG2 GLU 133 HG2 GLU 133 -10.429 3.367 8.165 989 HG3 GLU 133 HG1 GLU 133 -10.622 2.184 6.872 990 H ALA 134 HN ALA 134 -9.837 1.314 11.073 991 HA ALA 134 HA ALA 134 -8.257 -0.391 9.722 992 HB1 ALA 134 HB1 ALA 134 -8.941 -0.662 12.646 993 HB2 ALA 134 HB2 ALA 134 -7.755 0.450 11.962 994 HB3 ALA 134 HB3 ALA 134 -7.496 -1.291 11.853 995 H ALA 135 HN ALA 135 -11.225 -1.281 11.411 996 HA ALA 135 HA ALA 135 -11.092 -4.015 11.378 997 HB1 ALA 135 HB1 ALA 135 -12.918 -2.734 12.396 998 HB2 ALA 135 HB2 ALA 135 -13.519 -4.031 11.364 999 HB3 ALA 135 HB3 ALA 135 -13.543 -2.363 10.790 1000 H ALA 136 HN ALA 136 -12.109 -1.891 8.726 1001 HA ALA 136 HA ALA 136 -12.660 -4.063 6.943 1002 HB1 ALA 136 HB1 ALA 136 -13.815 -1.913 6.757 1003 HB2 ALA 136 HB2 ALA 136 -12.989 -2.340 5.259 1004 HB3 ALA 136 HB3 ALA 136 -12.290 -1.133 6.339 1005 H ILE 137 HN ILE 137 -9.951 -1.832 7.392 1006 HA ILE 137 HA ILE 137 -8.497 -2.535 5.110 1007 HB ILE 137 HB ILE 137 -7.469 -1.534 7.762 1008 HG12 ILE 137 HG12 ILE 137 -8.104 -0.027 5.215 1009 HG13 ILE 137 HG11 ILE 137 -9.165 -0.097 6.619 1010 HG21 ILE 137 HG21 ILE 137 -6.158 -1.679 5.052 1011 HG22 ILE 137 HG22 ILE 137 -5.653 -2.497 6.532 1012 HG23 ILE 137 HG23 ILE 137 -5.534 -0.742 6.409 1013 HD11 ILE 137 HD11 ILE 137 -7.449 0.993 7.967 1014 HD12 ILE 137 HD12 ILE 137 -7.914 1.972 6.576 1015 HD13 ILE 137 HD13 ILE 137 -6.397 1.074 6.553 1016 H TYR 138 HN TYR 138 -8.009 -3.717 8.468 1017 HA TYR 138 HA TYR 138 -5.955 -5.514 7.758 1018 HB2 TYR 138 HB1 TYR 138 -5.888 -6.096 9.967 1019 HB3 TYR 138 HB2 TYR 138 -6.778 -4.585 10.107 1020 HD1 TYR 138 HD2 TYR 138 -9.188 -4.597 10.564 1021 HD2 TYR 138 HD1 TYR 138 -6.941 -8.206 10.436 1022 HE1 TYR 138 HE2 TYR 138 -11.018 -5.773 11.714 1023 HE2 TYR 138 HE1 TYR 138 -8.763 -9.392 11.585 1024 HH TYR 138 HH TYR 138 -10.660 -8.875 13.052 1025 H ARG 139 HN ARG 139 -9.447 -5.861 7.859 1026 HA ARG 139 HA ARG 139 -9.383 -8.709 7.525 1027 HB2 ARG 139 HB1 ARG 139 -11.739 -8.617 7.359 1028 HB3 ARG 139 HB2 ARG 139 -11.306 -7.368 8.516 1029 HG2 ARG 139 HG2 ARG 139 -11.501 -5.687 6.716 1030 HG3 ARG 139 HG1 ARG 139 -12.053 -6.965 5.630 1031 HD2 ARG 139 HD2 ARG 139 -13.395 -6.009 8.153 1032 HD3 ARG 139 HD1 ARG 139 -13.969 -5.805 6.499 1033 HE ARG 139 HE ARG 139 -13.669 -8.538 6.978 1034 HH11 ARG 139 HH11 ARG 139 -15.643 -5.873 8.048 1035 HH12 ARG 139 HH12 ARG 139 -17.008 -6.869 8.427 1036 HH21 ARG 139 HH21 ARG 139 -15.460 -9.857 7.476 1037 HH22 ARG 139 HH22 ARG 139 -16.904 -9.133 8.103 1038 H ALA 140 HN ALA 140 -9.347 -5.926 5.469 1039 HA ALA 140 HA ALA 140 -10.041 -7.210 3.038 1040 HB1 ALA 140 HB1 ALA 140 -10.175 -4.787 3.316 1041 HB2 ALA 140 HB2 ALA 140 -9.148 -5.218 1.949 1042 HB3 ALA 140 HB3 ALA 140 -8.420 -4.704 3.472 1043 H ILE 141 HN ILE 141 -7.021 -6.706 4.758 1044 HA ILE 141 HA ILE 141 -5.479 -7.902 2.598 1045 HB ILE 141 HB ILE 141 -3.510 -7.450 3.991 1046 HG12 ILE 141 HG12 ILE 141 -4.179 -5.830 6.025 1047 HG13 ILE 141 HG11 ILE 141 -5.602 -6.867 6.023 1048 HG21 ILE 141 HG21 ILE 141 -4.299 -5.724 2.481 1049 HG22 ILE 141 HG22 ILE 141 -3.628 -5.000 3.943 1050 HG23 ILE 141 HG23 ILE 141 -5.376 -5.098 3.729 1051 HD11 ILE 141 HD11 ILE 141 -2.745 -7.763 6.308 1052 HD12 ILE 141 HD12 ILE 141 -4.148 -8.830 6.246 1053 HD13 ILE 141 HD13 ILE 141 -3.962 -7.694 7.582 1054 H ASP 142 HN ASP 142 -7.210 -8.911 5.273 1055 HA ASP 142 HA ASP 142 -5.736 -10.925 6.446 1056 HB2 ASP 142 HB2 ASP 142 -7.938 -10.275 7.264 1057 HB3 ASP 142 HB1 ASP 142 -8.693 -10.911 5.805 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -12.821 7.450 27.510 2 H2 MET 1 HT2 MET 1 -13.287 6.356 28.713 3 H3 MET 1 HT3 MET 1 -13.174 5.846 27.105 4 HA MET 1 HA MET 1 -10.919 6.757 28.793 5 HB2 MET 1 HB2 MET 1 -11.742 4.003 27.854 6 HB3 MET 1 HB1 MET 1 -10.188 4.368 28.593 7 HG2 MET 1 HG2 MET 1 -12.881 4.722 29.891 8 HG3 MET 1 HG1 MET 1 -11.749 3.404 30.194 9 HE1 MET 1 HE1 MET 1 -11.792 3.877 32.823 10 HE2 MET 1 HE2 MET 1 -12.986 5.136 32.510 11 HE3 MET 1 HE3 MET 1 -11.578 5.486 33.512 12 H ASN 2 HN ASN 2 -8.939 5.373 27.614 13 HA ASN 2 HA ASN 2 -8.896 6.480 24.886 14 HB2 ASN 2 HB1 ASN 2 -7.281 7.528 26.402 15 HB3 ASN 2 HB2 ASN 2 -6.591 5.951 26.774 16 HD21 ASN 2 HD21 ASN 2 -4.564 6.527 26.045 17 HD22 ASN 2 HD22 ASN 2 -4.202 6.723 24.367 18 H THR 3 HN THR 3 -9.091 4.998 23.359 19 HA THR 3 HA THR 3 -7.571 2.506 23.581 20 HB THR 3 HB THR 3 -9.833 1.932 24.325 21 HG1 THR 3 HG1 THR 3 -9.565 0.133 23.254 22 HG21 THR 3 HG21 THR 3 -11.724 2.095 22.734 23 HG22 THR 3 HG22 THR 3 -10.691 3.016 21.640 24 HG23 THR 3 HG23 THR 3 -11.108 3.673 23.224 25 H GLU 4 HN GLU 4 -7.651 5.138 21.997 26 HA GLU 4 HA GLU 4 -7.460 3.894 19.334 27 HB2 GLU 4 HB1 GLU 4 -8.416 6.702 19.922 28 HB3 GLU 4 HB2 GLU 4 -8.304 5.948 18.337 29 HG2 GLU 4 HG2 GLU 4 -10.012 4.340 18.957 30 HG3 GLU 4 HG1 GLU 4 -10.104 5.042 20.571 31 H GLU 5 HN GLU 5 -6.569 6.349 18.109 32 HA GLU 5 HA GLU 5 -4.692 7.545 17.668 33 HB2 GLU 5 HB1 GLU 5 -4.917 8.381 19.981 34 HB3 GLU 5 HB2 GLU 5 -3.968 7.017 20.556 35 HG2 GLU 5 HG1 GLU 5 -2.040 7.797 19.315 36 HG3 GLU 5 HG2 GLU 5 -2.985 9.128 18.650 37 H GLN 6 HN GLN 6 -2.634 7.166 16.885 38 HA GLN 6 HA GLN 6 -1.524 4.488 17.407 39 HB2 GLN 6 HB2 GLN 6 -0.832 4.443 15.007 40 HB3 GLN 6 HB1 GLN 6 -2.573 4.405 15.248 41 HG2 GLN 6 HG2 GLN 6 -2.680 6.806 14.761 42 HG3 GLN 6 HG1 GLN 6 -0.940 6.816 14.483 43 HE21 GLN 6 HE21 GLN 6 -0.975 4.190 13.203 44 HE22 GLN 6 HE22 GLN 6 -1.636 4.439 11.626 45 HA PRO 7 HA PRO 7 2.162 6.780 18.352 46 HB2 PRO 7 HB2 PRO 7 3.914 4.700 18.342 47 HB3 PRO 7 HB1 PRO 7 2.813 5.028 19.685 48 HG2 PRO 7 HG1 PRO 7 2.558 3.053 17.453 49 HG3 PRO 7 HG2 PRO 7 2.168 2.857 19.171 50 HD2 PRO 7 HD1 PRO 7 0.277 3.313 17.287 51 HD3 PRO 7 HD2 PRO 7 0.126 3.898 18.956 52 H VAL 8 HN VAL 8 1.667 4.891 15.603 53 HA VAL 8 HA VAL 8 4.015 6.022 14.238 54 HB VAL 8 HB VAL 8 2.284 3.706 13.357 55 HG11 VAL 8 HG21 VAL 8 3.319 4.897 11.498 56 HG12 VAL 8 HG22 VAL 8 4.041 3.301 11.708 57 HG13 VAL 8 HG23 VAL 8 4.898 4.738 12.267 58 HG21 VAL 8 HG11 VAL 8 3.534 3.134 15.362 59 HG22 VAL 8 HG12 VAL 8 5.025 3.710 14.617 60 HG23 VAL 8 HG13 VAL 8 4.201 2.295 13.962 61 H THR 9 HN THR 9 3.776 7.342 12.498 62 HA THR 9 HA THR 9 1.157 7.635 11.258 63 HB THR 9 HB THR 9 1.195 10.097 11.470 64 HG1 THR 9 HG1 THR 9 3.653 9.663 12.360 65 HG21 THR 9 HG21 THR 9 0.533 10.215 13.840 66 HG22 THR 9 HG22 THR 9 1.226 8.615 14.102 67 HG23 THR 9 HG23 THR 9 -0.160 8.811 13.030 68 H ALA 10 HN ALA 10 1.244 8.284 9.151 69 HA ALA 10 HA ALA 10 3.879 8.347 7.938 70 HB1 ALA 10 HB1 ALA 10 1.161 8.397 6.633 71 HB2 ALA 10 HB2 ALA 10 2.105 6.945 6.970 72 HB3 ALA 10 HB3 ALA 10 2.708 8.142 5.823 73 H SER 11 HN SER 11 3.872 9.908 5.873 74 HA SER 11 HA SER 11 2.744 12.514 6.481 75 HB2 SER 11 HB2 SER 11 4.800 12.534 7.809 76 HB3 SER 11 HB1 SER 11 5.741 12.091 6.385 77 HG SER 11 HG SER 11 5.908 14.184 6.186 78 H LEU 12 HN LEU 12 2.856 13.995 4.725 79 HA LEU 12 HA LEU 12 3.043 12.649 2.163 80 HB2 LEU 12 HB2 LEU 12 1.162 14.213 2.837 81 HB3 LEU 12 HB1 LEU 12 2.305 15.527 2.661 82 HG LEU 12 HG LEU 12 0.730 15.059 0.709 83 HD11 LEU 12 HD21 LEU 12 3.697 15.145 0.214 84 HD12 LEU 12 HD22 LEU 12 2.645 16.529 0.517 85 HD13 LEU 12 HD23 LEU 12 2.446 15.573 -0.953 86 HD21 LEU 12 HD11 LEU 12 0.950 12.630 0.687 87 HD22 LEU 12 HD12 LEU 12 2.657 12.785 0.272 88 HD23 LEU 12 HD13 LEU 12 1.422 13.333 -0.861 89 H VAL 13 HN VAL 13 4.573 12.928 0.673 90 HA VAL 13 HA VAL 13 6.852 14.642 1.377 91 HB VAL 13 HB VAL 13 6.708 12.369 -0.610 92 HG11 VAL 13 HG21 VAL 13 9.063 13.982 0.370 93 HG12 VAL 13 HG22 VAL 13 8.381 14.002 -1.256 94 HG13 VAL 13 HG23 VAL 13 9.163 12.544 -0.647 95 HG21 VAL 13 HG11 VAL 13 7.965 12.480 2.130 96 HG22 VAL 13 HG12 VAL 13 8.011 11.112 1.018 97 HG23 VAL 13 HG13 VAL 13 6.477 11.629 1.715 98 H ALA 14 HN ALA 14 7.719 16.122 -0.037 99 HA ALA 14 HA ALA 14 6.089 17.619 -1.647 100 HB1 ALA 14 HB1 ALA 14 8.354 18.264 -0.822 101 HB2 ALA 14 HB2 ALA 14 8.049 18.685 -2.508 102 HB3 ALA 14 HB3 ALA 14 9.046 17.283 -2.115 103 H GLU 15 HN GLU 15 5.736 17.811 -3.876 104 HA GLU 15 HA GLU 15 5.529 15.339 -5.265 105 HB2 GLU 15 HB2 GLU 15 4.634 16.682 -7.111 106 HB3 GLU 15 HB1 GLU 15 3.887 17.115 -5.580 107 HG2 GLU 15 HG1 GLU 15 5.270 19.090 -5.423 108 HG3 GLU 15 HG2 GLU 15 6.118 18.641 -6.903 109 H ALA 16 HN ALA 16 7.964 17.773 -5.112 110 HA ALA 16 HA ALA 16 9.245 16.748 -7.543 111 HB1 ALA 16 HB1 ALA 16 8.980 19.172 -7.390 112 HB2 ALA 16 HB2 ALA 16 10.683 18.709 -7.423 113 HB3 ALA 16 HB3 ALA 16 9.926 19.182 -5.901 114 H GLN 17 HN GLN 17 9.220 15.941 -4.386 115 HA GLN 17 HA GLN 17 12.095 15.276 -4.381 116 HB2 GLN 17 HB2 GLN 17 10.266 15.884 -2.054 117 HB3 GLN 17 HB1 GLN 17 11.889 15.230 -1.880 118 HG2 GLN 17 HG2 GLN 17 11.253 17.839 -3.233 119 HG3 GLN 17 HG1 GLN 17 11.730 17.681 -1.543 120 HE21 GLN 17 HE21 GLN 17 12.763 17.204 -4.854 121 HE22 GLN 17 HE22 GLN 17 14.460 17.260 -4.535 122 H ARG 18 HN ARG 18 8.876 14.175 -4.217 123 HA ARG 18 HA ARG 18 9.361 11.645 -2.994 124 HB2 ARG 18 HB1 ARG 18 7.101 11.102 -3.708 125 HB3 ARG 18 HB2 ARG 18 7.140 12.723 -3.030 126 HG2 ARG 18 HG1 ARG 18 7.377 13.527 -5.448 127 HG3 ARG 18 HG2 ARG 18 6.858 11.898 -5.894 128 HD2 ARG 18 HD2 ARG 18 4.874 12.231 -4.407 129 HD3 ARG 18 HD1 ARG 18 5.360 13.912 -4.232 130 HE ARG 18 HE ARG 18 5.229 13.522 -6.928 131 HH11 ARG 18 HH11 ARG 18 3.015 13.097 -4.272 132 HH12 ARG 18 HH12 ARG 18 1.607 13.421 -5.226 133 HH21 ARG 18 HH21 ARG 18 3.380 13.951 -8.192 134 HH22 ARG 18 HH22 ARG 18 1.813 13.905 -7.454 135 H LEU 19 HN LEU 19 9.911 12.960 -6.073 136 HA LEU 19 HA LEU 19 9.674 10.658 -7.686 137 HB2 LEU 19 HB2 LEU 19 11.279 11.937 -9.196 138 HB3 LEU 19 HB1 LEU 19 9.742 12.697 -8.831 139 HG LEU 19 HG LEU 19 11.033 13.961 -6.985 140 HD11 LEU 19 HD21 LEU 19 13.057 12.613 -7.029 141 HD12 LEU 19 HD22 LEU 19 13.413 14.287 -7.454 142 HD13 LEU 19 HD23 LEU 19 13.331 13.055 -8.714 143 HD21 LEU 19 HD11 LEU 19 10.149 15.001 -9.008 144 HD22 LEU 19 HD12 LEU 19 11.599 14.521 -9.892 145 HD23 LEU 19 HD13 LEU 19 11.716 15.681 -8.569 146 H ASP 20 HN ASP 20 12.034 11.691 -5.409 147 HA ASP 20 HA ASP 20 13.794 9.467 -6.232 148 HB2 ASP 20 HB2 ASP 20 14.787 11.773 -6.493 149 HB3 ASP 20 HB1 ASP 20 14.663 11.949 -4.744 150 H PHE 21 HN PHE 21 11.879 10.861 -3.808 151 HA PHE 21 HA PHE 21 13.076 9.801 -1.482 152 HB2 PHE 21 HB2 PHE 21 10.940 11.452 -2.006 153 HB3 PHE 21 HB1 PHE 21 10.150 9.987 -1.430 154 HD1 PHE 21 HD1 PHE 21 12.916 12.313 -0.531 155 HD2 PHE 21 HD2 PHE 21 9.864 9.679 0.831 156 HE1 PHE 21 HE1 PHE 21 13.386 12.975 1.792 157 HE2 PHE 21 HE2 PHE 21 10.328 10.337 3.156 158 HZ PHE 21 HZ PHE 21 12.091 11.987 3.639 159 H LEU 22 HN LEU 22 10.704 8.527 -3.756 160 HA LEU 22 HA LEU 22 10.003 6.227 -2.286 161 HB2 LEU 22 HB2 LEU 22 9.003 7.357 -4.480 162 HB3 LEU 22 HB1 LEU 22 9.988 6.137 -5.259 163 HG LEU 22 HG LEU 22 7.737 5.313 -5.035 164 HD11 LEU 22 HD11 LEU 22 8.131 3.238 -3.927 165 HD12 LEU 22 HD12 LEU 22 9.416 3.942 -2.947 166 HD13 LEU 22 HD13 LEU 22 9.642 3.743 -4.684 167 HD21 LEU 22 HD21 LEU 22 8.033 5.815 -2.078 168 HD22 LEU 22 HD22 LEU 22 6.662 5.032 -2.865 169 HD23 LEU 22 HD23 LEU 22 7.013 6.729 -3.189 170 HA PRO 23 HA PRO 23 13.342 3.873 -4.867 171 HB2 PRO 23 HB2 PRO 23 15.215 5.324 -6.175 172 HB3 PRO 23 HB1 PRO 23 13.680 4.862 -6.917 173 HG2 PRO 23 HG2 PRO 23 14.466 7.461 -5.651 174 HG3 PRO 23 HG1 PRO 23 13.594 7.177 -7.169 175 HD2 PRO 23 HD2 PRO 23 12.330 7.847 -4.873 176 HD3 PRO 23 HD1 PRO 23 11.592 6.789 -6.092 177 H THR 24 HN THR 24 13.945 6.691 -3.013 178 HA THR 24 HA THR 24 16.635 6.021 -2.250 179 HB THR 24 HB THR 24 14.669 8.113 -1.366 180 HG1 THR 24 HG1 THR 24 16.908 9.207 -1.996 181 HG21 THR 24 HG21 THR 24 16.282 8.983 0.210 182 HG22 THR 24 HG22 THR 24 17.400 7.668 -0.160 183 HG23 THR 24 HG23 THR 24 15.869 7.324 0.645 184 H TYR 25 HN TYR 25 13.427 5.483 -0.964 185 HA TYR 25 HA TYR 25 14.612 4.219 1.420 186 HB2 TYR 25 HB1 TYR 25 11.881 5.387 0.930 187 HB3 TYR 25 HB2 TYR 25 12.223 4.347 2.311 188 HD1 TYR 25 HD2 TYR 25 13.775 5.094 4.074 189 HD2 TYR 25 HD1 TYR 25 12.686 7.651 0.853 190 HE1 TYR 25 HE2 TYR 25 14.628 7.030 5.330 191 HE2 TYR 25 HE1 TYR 25 13.538 9.592 2.098 192 HH TYR 25 HH TYR 25 15.463 9.293 4.878 193 H PHE 26 HN PHE 26 12.673 3.638 -1.393 194 HA PHE 26 HA PHE 26 12.056 0.914 -0.519 195 HB2 PHE 26 HB2 PHE 26 10.487 2.689 -1.814 196 HB3 PHE 26 HB1 PHE 26 11.204 1.870 -3.198 197 HD1 PHE 26 HD1 PHE 26 9.877 0.804 0.126 198 HD2 PHE 26 HD2 PHE 26 9.842 0.271 -4.095 199 HE1 PHE 26 HE1 PHE 26 8.244 -1.020 0.373 200 HE2 PHE 26 HE2 PHE 26 8.211 -1.554 -3.856 201 HZ PHE 26 HZ PHE 26 7.408 -2.201 -1.620 202 H GLY 27 HN GLY 27 13.685 2.712 -3.082 203 HA2 GLY 27 HA2 GLY 27 15.952 1.533 -3.496 204 HA3 GLY 27 HA1 GLY 27 14.916 0.222 -4.044 205 HA PRO 28 HA PRO 28 15.622 3.917 -7.206 206 HB2 PRO 28 HB1 PRO 28 17.871 2.901 -8.470 207 HB3 PRO 28 HB2 PRO 28 17.875 4.225 -7.304 208 HG2 PRO 28 HG2 PRO 28 18.488 1.331 -6.892 209 HG3 PRO 28 HG1 PRO 28 19.274 2.756 -6.188 210 HD2 PRO 28 HD2 PRO 28 17.540 1.274 -4.779 211 HD3 PRO 28 HD1 PRO 28 17.611 3.040 -4.595 212 H ARG 29 HN ARG 29 15.754 0.473 -7.102 213 HA ARG 29 HA ARG 29 14.937 0.254 -9.900 214 HB2 ARG 29 HB1 ARG 29 16.713 -1.254 -9.086 215 HB3 ARG 29 HB2 ARG 29 15.601 -1.915 -7.897 216 HG2 ARG 29 HG1 ARG 29 14.830 -2.001 -10.769 217 HG3 ARG 29 HG2 ARG 29 16.043 -3.136 -10.175 218 HD2 ARG 29 HD1 ARG 29 14.528 -4.038 -8.572 219 HD3 ARG 29 HD2 ARG 29 13.349 -2.765 -8.885 220 HE ARG 29 HE ARG 29 13.167 -3.779 -11.173 221 HH11 ARG 29 HH11 ARG 29 14.174 -5.667 -8.420 222 HH12 ARG 29 HH12 ARG 29 13.601 -7.164 -9.076 223 HH21 ARG 29 HH21 ARG 29 12.413 -5.748 -12.043 224 HH22 ARG 29 HH22 ARG 29 12.599 -7.210 -11.133 225 H LEU 30 HN LEU 30 13.756 -0.462 -6.606 226 HA LEU 30 HA LEU 30 11.369 -1.706 -7.410 227 HB2 LEU 30 HB2 LEU 30 12.100 -0.287 -4.854 228 HB3 LEU 30 HB1 LEU 30 10.684 -1.288 -5.062 229 HG LEU 30 HG LEU 30 12.097 -2.753 -4.011 230 HD11 LEU 30 HD11 LEU 30 13.011 -4.335 -5.630 231 HD12 LEU 30 HD12 LEU 30 12.842 -3.130 -6.907 232 HD13 LEU 30 HD13 LEU 30 11.408 -3.776 -6.108 233 HD21 LEU 30 HD21 LEU 30 13.985 -1.099 -4.039 234 HD22 LEU 30 HD22 LEU 30 14.465 -1.789 -5.592 235 HD23 LEU 30 HD23 LEU 30 14.458 -2.795 -4.145 236 H MET 31 HN MET 31 12.206 1.646 -6.739 237 HA MET 31 HA MET 31 9.997 2.979 -6.255 238 HB2 MET 31 HB2 MET 31 10.736 4.753 -7.886 239 HB3 MET 31 HB1 MET 31 11.960 4.200 -6.751 240 HG2 MET 31 HG2 MET 31 13.298 3.816 -8.459 241 HG3 MET 31 HG1 MET 31 12.203 2.540 -8.985 242 HE1 MET 31 HE1 MET 31 13.018 2.871 -11.520 243 HE2 MET 31 HE2 MET 31 14.128 4.120 -10.956 244 HE3 MET 31 HE3 MET 31 13.056 4.442 -12.320 245 H MET 32 HN MET 32 10.524 1.463 -9.412 246 HA MET 32 HA MET 32 7.851 2.350 -10.227 247 HB2 MET 32 HB1 MET 32 8.491 1.714 -12.486 248 HB3 MET 32 HB2 MET 32 9.693 2.795 -11.797 249 HG2 MET 32 HG2 MET 32 11.124 0.869 -11.298 250 HG3 MET 32 HG1 MET 32 9.923 -0.195 -12.029 251 HE1 MET 32 HE1 MET 32 8.936 1.563 -14.510 252 HE2 MET 32 HE2 MET 32 9.286 -0.164 -14.599 253 HE3 MET 32 HE3 MET 32 9.998 0.941 -15.774 254 H ARG 33 HN ARG 33 9.808 -0.521 -9.689 255 HA ARG 33 HA ARG 33 7.851 -2.378 -10.596 256 HB2 ARG 33 HB2 ARG 33 10.195 -2.812 -8.738 257 HB3 ARG 33 HB1 ARG 33 9.274 -4.075 -9.544 258 HG2 ARG 33 HG2 ARG 33 10.920 -1.961 -10.914 259 HG3 ARG 33 HG1 ARG 33 11.394 -3.642 -10.668 260 HD2 ARG 33 HD2 ARG 33 9.068 -2.643 -12.308 261 HD3 ARG 33 HD1 ARG 33 10.566 -3.342 -12.922 262 HE ARG 33 HE ARG 33 9.493 -5.249 -11.260 263 HH11 ARG 33 HH11 ARG 33 8.476 -3.547 -14.125 264 HH12 ARG 33 HH12 ARG 33 7.476 -4.841 -14.696 265 HH21 ARG 33 HH21 ARG 33 8.178 -6.958 -12.004 266 HH22 ARG 33 HH22 ARG 33 7.308 -6.779 -13.490 267 H GLY 34 HN GLY 34 8.048 -0.468 -7.804 268 HA2 GLY 34 HA2 GLY 34 6.427 -2.366 -6.248 269 HA3 GLY 34 HA1 GLY 34 7.289 -0.982 -5.591 270 H GLU 35 HN GLU 35 6.495 1.020 -7.320 271 HA GLU 35 HA GLU 35 4.013 1.766 -6.260 272 HB2 GLU 35 HB2 GLU 35 4.077 3.635 -7.805 273 HB3 GLU 35 HB1 GLU 35 5.682 3.371 -7.138 274 HG2 GLU 35 HG2 GLU 35 6.415 2.321 -9.163 275 HG3 GLU 35 HG1 GLU 35 4.782 2.368 -9.828 276 H ALA 36 HN ALA 36 4.903 0.178 -9.271 277 HA ALA 36 HA ALA 36 2.285 0.297 -10.415 278 HB1 ALA 36 HB1 ALA 36 3.163 -1.291 -12.062 279 HB2 ALA 36 HB2 ALA 36 4.612 -1.507 -11.080 280 HB3 ALA 36 HB3 ALA 36 4.268 0.060 -11.812 281 H LEU 37 HN LEU 37 3.786 -1.692 -8.065 282 HA LEU 37 HA LEU 37 2.007 -3.935 -8.426 283 HB2 LEU 37 HB2 LEU 37 4.409 -3.349 -6.924 284 HB3 LEU 37 HB1 LEU 37 3.218 -4.163 -5.927 285 HG LEU 37 HG LEU 37 4.125 -5.204 -8.609 286 HD11 LEU 37 HD11 LEU 37 6.026 -5.115 -7.098 287 HD12 LEU 37 HD12 LEU 37 5.505 -6.783 -7.347 288 HD13 LEU 37 HD13 LEU 37 5.091 -5.943 -5.851 289 HD21 LEU 37 HD21 LEU 37 1.944 -6.000 -7.880 290 HD22 LEU 37 HD22 LEU 37 2.625 -6.479 -6.325 291 HD23 LEU 37 HD23 LEU 37 3.139 -7.295 -7.802 292 H VAL 38 HN VAL 38 2.336 -1.247 -6.149 293 HA VAL 38 HA VAL 38 0.367 -2.106 -4.326 294 HB VAL 38 HB VAL 38 0.371 0.080 -3.411 295 HG11 VAL 38 HG21 VAL 38 2.456 -1.180 -3.136 296 HG12 VAL 38 HG22 VAL 38 2.738 0.562 -3.156 297 HG13 VAL 38 HG23 VAL 38 3.103 -0.408 -4.584 298 HG21 VAL 38 HG11 VAL 38 1.305 2.031 -4.562 299 HG22 VAL 38 HG12 VAL 38 -0.066 1.350 -5.439 300 HG23 VAL 38 HG13 VAL 38 1.579 1.046 -5.999 301 H TYR 39 HN TYR 39 0.202 -0.259 -7.306 302 HA TYR 39 HA TYR 39 -2.623 0.252 -7.049 303 HB2 TYR 39 HB1 TYR 39 -2.231 1.801 -8.624 304 HB3 TYR 39 HB2 TYR 39 -0.530 1.367 -8.511 305 HD1 TYR 39 HD2 TYR 39 0.508 -0.067 -10.186 306 HD2 TYR 39 HD1 TYR 39 -3.574 1.085 -10.508 307 HE1 TYR 39 HE2 TYR 39 0.499 -0.777 -12.540 308 HE2 TYR 39 HE1 TYR 39 -3.594 0.379 -12.864 309 HH TYR 39 HH TYR 39 -1.988 0.031 -14.697 310 H ALA 40 HN ALA 40 -0.593 -2.213 -8.330 311 HA ALA 40 HA ALA 40 -2.294 -3.321 -10.275 312 HB1 ALA 40 HB1 ALA 40 -0.258 -4.736 -8.556 313 HB2 ALA 40 HB2 ALA 40 0.082 -3.899 -10.071 314 HB3 ALA 40 HB3 ALA 40 -0.944 -5.333 -10.067 315 H TRP 41 HN TRP 41 -2.037 -3.826 -6.790 316 HA TRP 41 HA TRP 41 -4.017 -5.912 -6.758 317 HB2 TRP 41 HB2 TRP 41 -2.677 -4.321 -4.568 318 HB3 TRP 41 HB1 TRP 41 -3.894 -5.553 -4.249 319 HD1 TRP 41 HD1 TRP 41 -0.260 -5.142 -5.326 320 HE1 TRP 41 HE1 TRP 41 0.901 -7.437 -5.218 321 HE3 TRP 41 HE3 TRP 41 -4.350 -8.081 -4.450 322 HZ2 TRP 41 HZ2 TRP 41 0.178 -10.137 -4.816 323 HZ3 TRP 41 HZ3 TRP 41 -4.029 -10.510 -4.216 324 HH2 TRP 41 HH2 TRP 41 -1.811 -11.514 -4.396 325 H MET 42 HN MET 42 -3.955 -2.441 -6.283 326 HA MET 42 HA MET 42 -6.476 -2.146 -5.077 327 HB2 MET 42 HB1 MET 42 -4.563 -0.439 -5.351 328 HB3 MET 42 HB2 MET 42 -5.266 -0.112 -6.929 329 HG2 MET 42 HG2 MET 42 -6.022 1.468 -5.225 330 HG3 MET 42 HG1 MET 42 -7.352 0.536 -5.911 331 HE1 MET 42 HE1 MET 42 -7.901 2.118 -3.316 332 HE2 MET 42 HE2 MET 42 -8.707 0.897 -2.331 333 HE3 MET 42 HE3 MET 42 -9.048 1.003 -4.059 334 H ARG 43 HN ARG 43 -5.496 -2.113 -8.497 335 HA ARG 43 HA ARG 43 -8.082 -1.518 -9.494 336 HB2 ARG 43 HB2 ARG 43 -7.151 -2.296 -11.678 337 HB3 ARG 43 HB1 ARG 43 -6.187 -1.061 -10.881 338 HG2 ARG 43 HG1 ARG 43 -4.629 -2.759 -10.102 339 HG3 ARG 43 HG2 ARG 43 -5.606 -4.015 -10.866 340 HD2 ARG 43 HD2 ARG 43 -4.324 -1.718 -12.335 341 HD3 ARG 43 HD1 ARG 43 -3.625 -3.331 -12.202 342 HE ARG 43 HE ARG 43 -6.051 -3.846 -13.228 343 HH11 ARG 43 HH11 ARG 43 -3.580 -1.557 -14.122 344 HH12 ARG 43 HH12 ARG 43 -3.988 -1.581 -15.806 345 HH21 ARG 43 HH21 ARG 43 -6.592 -3.884 -15.441 346 HH22 ARG 43 HH22 ARG 43 -5.698 -2.906 -16.556 347 H ARG 44 HN ARG 44 -6.675 -4.383 -8.272 348 HA ARG 44 HA ARG 44 -8.400 -6.197 -9.710 349 HB2 ARG 44 HB2 ARG 44 -6.456 -6.544 -7.434 350 HB3 ARG 44 HB1 ARG 44 -7.479 -7.859 -7.993 351 HG2 ARG 44 HG1 ARG 44 -6.490 -7.678 -10.223 352 HG3 ARG 44 HG2 ARG 44 -5.451 -6.371 -9.648 353 HD2 ARG 44 HD2 ARG 44 -4.361 -8.624 -9.719 354 HD3 ARG 44 HD1 ARG 44 -4.316 -7.828 -8.145 355 HE ARG 44 HE ARG 44 -6.538 -9.366 -8.000 356 HH11 ARG 44 HH11 ARG 44 -3.228 -10.029 -8.866 357 HH12 ARG 44 HH12 ARG 44 -3.267 -11.658 -8.281 358 HH21 ARG 44 HH21 ARG 44 -6.596 -11.508 -7.227 359 HH22 ARG 44 HH22 ARG 44 -5.182 -12.500 -7.351 360 H LEU 45 HN LEU 45 -8.576 -4.287 -6.904 361 HA LEU 45 HA LEU 45 -10.562 -5.864 -5.540 362 HB2 LEU 45 HB2 LEU 45 -9.685 -3.023 -5.039 363 HB3 LEU 45 HB1 LEU 45 -10.674 -3.999 -3.974 364 HG LEU 45 HG LEU 45 -7.826 -4.669 -4.720 365 HD11 LEU 45 HD11 LEU 45 -7.912 -2.595 -3.444 366 HD12 LEU 45 HD12 LEU 45 -7.245 -3.907 -2.473 367 HD13 LEU 45 HD13 LEU 45 -8.908 -3.379 -2.219 368 HD21 LEU 45 HD21 LEU 45 -9.174 -6.602 -4.095 369 HD22 LEU 45 HD22 LEU 45 -9.666 -5.788 -2.609 370 HD23 LEU 45 HD23 LEU 45 -7.977 -6.236 -2.852 371 H CYS 46 HN CYS 46 -10.552 -3.309 -7.905 372 HA CYS 46 HA CYS 46 -13.487 -3.199 -7.727 373 HB2 CYS 46 HB2 CYS 46 -12.522 -1.069 -6.975 374 HB3 CYS 46 HB1 CYS 46 -11.624 -0.937 -8.482 375 HG CYS 46 HG CYS 46 -13.657 0.869 -8.731 376 H GLU 47 HN GLU 47 -14.599 -2.956 -9.740 377 HA GLU 47 HA GLU 47 -13.172 -4.238 -11.926 378 HB2 GLU 47 HB1 GLU 47 -15.402 -4.460 -12.955 379 HB3 GLU 47 HB2 GLU 47 -15.347 -5.132 -11.332 380 HG2 GLU 47 HG2 GLU 47 -16.429 -3.136 -10.455 381 HG3 GLU 47 HG1 GLU 47 -16.465 -2.439 -12.074 382 H ARG 48 HN ARG 48 -14.191 -1.093 -11.029 383 HA ARG 48 HA ARG 48 -13.714 -0.146 -13.781 384 HB2 ARG 48 HB1 ARG 48 -15.121 1.811 -13.198 385 HB3 ARG 48 HB2 ARG 48 -15.997 0.288 -13.139 386 HG2 ARG 48 HG2 ARG 48 -15.775 0.255 -10.705 387 HG3 ARG 48 HG1 ARG 48 -14.909 1.792 -10.768 388 HD2 ARG 48 HD1 ARG 48 -17.225 2.178 -10.192 389 HD3 ARG 48 HD2 ARG 48 -16.888 2.838 -11.791 390 HE ARG 48 HE ARG 48 -17.848 0.283 -12.201 391 HH11 ARG 48 HH11 ARG 48 -19.001 3.239 -10.763 392 HH12 ARG 48 HH12 ARG 48 -20.662 2.925 -11.135 393 HH21 ARG 48 HH21 ARG 48 -20.035 -0.141 -12.696 394 HH22 ARG 48 HH22 ARG 48 -21.251 1.004 -12.233 395 H TYR 49 HN TYR 49 -12.025 -0.510 -11.162 396 HA TYR 49 HA TYR 49 -11.136 2.061 -10.433 397 HB2 TYR 49 HB2 TYR 49 -10.774 -0.379 -9.375 398 HB3 TYR 49 HB1 TYR 49 -9.237 -0.206 -10.214 399 HD1 TYR 49 HD1 TYR 49 -7.990 2.073 -9.798 400 HD2 TYR 49 HD2 TYR 49 -10.973 0.458 -7.232 401 HE1 TYR 49 HE1 TYR 49 -7.137 3.451 -7.948 402 HE2 TYR 49 HE2 TYR 49 -10.129 1.828 -5.376 403 HH TYR 49 HH TYR 49 -7.943 4.386 -5.824 404 H ASN 50 HN ASN 50 -10.645 3.269 -12.216 405 HA ASN 50 HA ASN 50 -8.844 2.399 -14.252 406 HB2 ASN 50 HB1 ASN 50 -9.983 5.092 -13.513 407 HB3 ASN 50 HB2 ASN 50 -8.819 4.901 -14.820 408 HD21 ASN 50 HD21 ASN 50 -11.191 2.464 -14.065 409 HD22 ASN 50 HD22 ASN 50 -12.159 2.689 -15.478 410 H GLY 51 HN GLY 51 -8.491 3.884 -11.150 411 HA2 GLY 51 HA2 GLY 51 -6.352 3.688 -10.034 412 HA3 GLY 51 HA1 GLY 51 -5.572 4.005 -11.570 413 H ALA 52 HN ALA 52 -5.856 5.289 -8.736 414 HA ALA 52 HA ALA 52 -6.319 8.046 -9.655 415 HB1 ALA 52 HB1 ALA 52 -7.794 7.327 -7.860 416 HB2 ALA 52 HB2 ALA 52 -6.696 8.584 -7.289 417 HB3 ALA 52 HB3 ALA 52 -6.400 6.895 -6.869 418 H TYR 53 HN TYR 53 -5.082 9.381 -7.556 419 HA TYR 53 HA TYR 53 -2.279 9.016 -8.268 420 HB2 TYR 53 HB2 TYR 53 -3.879 11.262 -7.100 421 HB3 TYR 53 HB1 TYR 53 -2.136 11.230 -6.870 422 HD1 TYR 53 HD2 TYR 53 -0.813 10.679 -9.163 423 HD2 TYR 53 HD1 TYR 53 -4.649 12.496 -8.885 424 HE1 TYR 53 HE2 TYR 53 -0.492 11.680 -11.386 425 HE2 TYR 53 HE1 TYR 53 -4.341 13.502 -11.107 426 HH TYR 53 HH TYR 53 -1.883 12.550 -13.231 427 H TRP 54 HN TRP 54 -1.375 7.477 -7.055 428 HA TRP 54 HA TRP 54 -2.012 7.120 -4.276 429 HB2 TRP 54 HB2 TRP 54 0.329 5.794 -5.580 430 HB3 TRP 54 HB1 TRP 54 -0.834 5.137 -4.430 431 HD1 TRP 54 HD1 TRP 54 -3.368 4.646 -5.485 432 HE1 TRP 54 HE1 TRP 54 -4.011 3.817 -7.834 433 HE3 TRP 54 HE3 TRP 54 0.971 5.757 -7.950 434 HZ2 TRP 54 HZ2 TRP 54 -2.829 3.649 -10.396 435 HZ3 TRP 54 HZ3 TRP 54 1.133 5.231 -10.348 436 HH2 TRP 54 HH2 TRP 54 -0.728 4.197 -11.544 437 H HIS 55 HN HIS 55 -1.398 9.260 -3.577 438 HA HIS 55 HA HIS 55 1.055 10.458 -3.698 439 HB2 HIS 55 HB2 HIS 55 -0.780 10.382 -1.295 440 HB3 HIS 55 HB1 HIS 55 0.499 11.560 -1.569 441 HD1 HIS 55 HD1 HIS 55 -0.091 13.590 -2.911 442 HD2 HIS 55 HD2 HIS 55 -2.970 10.605 -3.175 443 HE1 HIS 55 HE1 HIS 55 -2.028 14.632 -4.129 444 HE2 HIS 55 HE2 HIS 55 -3.720 12.779 -4.361 445 H TYR 56 HN TYR 56 3.004 10.194 -2.821 446 HA TYR 56 HA TYR 56 3.584 7.735 -1.451 447 HB2 TYR 56 HB1 TYR 56 5.390 10.074 -2.121 448 HB3 TYR 56 HB2 TYR 56 5.929 8.510 -1.521 449 HD1 TYR 56 HD1 TYR 56 3.570 7.226 -3.390 450 HD2 TYR 56 HD2 TYR 56 7.008 9.659 -4.006 451 HE1 TYR 56 HE1 TYR 56 3.738 6.396 -5.697 452 HE2 TYR 56 HE2 TYR 56 7.181 8.836 -6.316 453 HH TYR 56 HH TYR 56 4.699 7.117 -7.850 454 H TYR 57 HN TYR 57 3.930 7.424 0.668 455 HA TYR 57 HA TYR 57 3.887 9.800 2.412 456 HB2 TYR 57 HB2 TYR 57 2.413 7.201 2.665 457 HB3 TYR 57 HB1 TYR 57 2.813 8.134 4.104 458 HD1 TYR 57 HD1 TYR 57 1.782 10.308 4.506 459 HD2 TYR 57 HD2 TYR 57 0.754 7.992 1.088 460 HE1 TYR 57 HE1 TYR 57 -0.203 11.715 4.159 461 HE2 TYR 57 HE2 TYR 57 -1.235 9.394 0.730 462 HH TYR 57 HH TYR 57 -1.719 12.348 2.357 463 H ALA 58 HN ALA 58 5.166 9.808 4.230 464 HA ALA 58 HA ALA 58 7.253 7.737 4.310 465 HB1 ALA 58 HB1 ALA 58 7.394 10.595 5.270 466 HB2 ALA 58 HB2 ALA 58 8.062 9.987 3.755 467 HB3 ALA 58 HB3 ALA 58 8.711 9.421 5.294 468 H LEU 59 HN LEU 59 6.365 6.295 5.732 469 HA LEU 59 HA LEU 59 5.050 7.052 8.134 470 HB2 LEU 59 HB2 LEU 59 6.105 4.477 7.033 471 HB3 LEU 59 HB1 LEU 59 5.496 4.558 8.676 472 HG LEU 59 HG LEU 59 3.788 5.573 6.445 473 HD11 LEU 59 HD11 LEU 59 4.128 2.670 7.174 474 HD12 LEU 59 HD12 LEU 59 4.550 3.422 5.633 475 HD13 LEU 59 HD13 LEU 59 2.863 3.327 6.136 476 HD21 LEU 59 HD21 LEU 59 3.230 4.193 9.066 477 HD22 LEU 59 HD22 LEU 59 2.005 4.747 7.924 478 HD23 LEU 59 HD23 LEU 59 3.053 5.915 8.729 479 H SER 60 HN SER 60 5.747 6.779 10.292 480 HA SER 60 HA SER 60 8.373 7.721 10.776 481 HB2 SER 60 HB2 SER 60 7.794 7.458 13.167 482 HB3 SER 60 HB1 SER 60 6.521 8.284 12.267 483 HG SER 60 HG SER 60 6.513 5.797 13.484 484 H ASP 61 HN ASP 61 6.949 4.541 10.707 485 HA ASP 61 HA ASP 61 9.048 3.224 12.123 486 HB2 ASP 61 HB2 ASP 61 6.932 2.164 10.240 487 HB3 ASP 61 HB1 ASP 61 8.047 1.144 11.144 488 H GLY 62 HN GLY 62 8.697 4.403 8.926 489 HA2 GLY 62 HA1 GLY 62 10.502 4.617 7.420 490 HA3 GLY 62 HA2 GLY 62 11.317 3.297 8.246 491 H GLY 63 HN GLY 63 7.994 2.857 7.457 492 HA2 GLY 63 HA2 GLY 63 8.739 0.767 5.565 493 HA3 GLY 63 HA1 GLY 63 7.144 1.027 6.255 494 H PHE 64 HN PHE 64 6.802 3.728 5.620 495 HA PHE 64 HA PHE 64 6.072 5.106 3.971 496 HB2 PHE 64 HB2 PHE 64 8.162 3.606 2.390 497 HB3 PHE 64 HB1 PHE 64 7.244 4.957 1.736 498 HD1 PHE 64 HD2 PHE 64 9.125 4.240 4.888 499 HD2 PHE 64 HD1 PHE 64 8.378 6.931 1.677 500 HE1 PHE 64 HE2 PHE 64 10.763 5.814 5.831 501 HE2 PHE 64 HE1 PHE 64 10.017 8.508 2.613 502 HZ PHE 64 HZ PHE 64 11.211 7.952 4.693 503 H TYR 65 HN TYR 65 4.166 5.034 2.969 504 HA TYR 65 HA TYR 65 3.514 2.682 1.345 505 HB2 TYR 65 HB2 TYR 65 1.551 2.176 2.444 506 HB3 TYR 65 HB1 TYR 65 2.564 2.681 3.792 507 HD1 TYR 65 HD1 TYR 65 2.293 5.044 4.689 508 HD2 TYR 65 HD2 TYR 65 -0.463 3.275 1.970 509 HE1 TYR 65 HE1 TYR 65 0.602 6.710 5.327 510 HE2 TYR 65 HE2 TYR 65 -2.159 4.940 2.599 511 HH TYR 65 HH TYR 65 -2.668 6.417 4.513 512 H MET 66 HN MET 66 1.641 3.012 -0.069 513 HA MET 66 HA MET 66 1.415 5.832 -0.924 514 HB2 MET 66 HB2 MET 66 1.252 3.297 -2.568 515 HB3 MET 66 HB1 MET 66 0.968 4.916 -3.191 516 HG2 MET 66 HG2 MET 66 3.209 5.532 -2.939 517 HG3 MET 66 HG1 MET 66 3.553 4.168 -1.877 518 HE1 MET 66 HE1 MET 66 1.418 4.077 -5.098 519 HE2 MET 66 HE2 MET 66 2.549 3.527 -6.334 520 HE3 MET 66 HE3 MET 66 2.688 5.158 -5.673 521 H ALA 67 HN ALA 67 -0.566 6.715 -1.104 522 HA ALA 67 HA ALA 67 -2.890 4.918 -0.871 523 HB1 ALA 67 HB1 ALA 67 -2.421 6.071 1.268 524 HB2 ALA 67 HB2 ALA 67 -3.993 6.480 0.586 525 HB3 ALA 67 HB3 ALA 67 -2.651 7.616 0.450 526 HA PRO 68 HA PRO 68 -4.170 6.939 -4.616 527 HB2 PRO 68 HB2 PRO 68 -6.813 6.200 -4.496 528 HB3 PRO 68 HB1 PRO 68 -5.520 5.153 -5.086 529 HG2 PRO 68 HG1 PRO 68 -6.833 5.219 -2.401 530 HG3 PRO 68 HG2 PRO 68 -6.338 3.821 -3.373 531 HD2 PRO 68 HD2 PRO 68 -4.884 4.689 -1.279 532 HD3 PRO 68 HD1 PRO 68 -4.124 3.997 -2.726 533 H ASP 69 HN ASP 69 -5.445 8.729 -5.266 534 HA ASP 69 HA ASP 69 -6.333 10.387 -3.020 535 HB2 ASP 69 HB2 ASP 69 -4.587 11.282 -4.546 536 HB3 ASP 69 HB1 ASP 69 -5.737 11.192 -5.874 537 H LEU 70 HN LEU 70 -8.409 9.464 -2.734 538 HA LEU 70 HA LEU 70 -10.356 10.437 -4.685 539 HB2 LEU 70 HB2 LEU 70 -10.292 7.594 -3.678 540 HB3 LEU 70 HB1 LEU 70 -11.619 8.306 -4.572 541 HG LEU 70 HG LEU 70 -8.814 8.002 -5.650 542 HD11 LEU 70 HD11 LEU 70 -11.267 6.339 -6.201 543 HD12 LEU 70 HD12 LEU 70 -9.873 5.827 -5.250 544 HD13 LEU 70 HD13 LEU 70 -9.690 6.163 -6.972 545 HD21 LEU 70 HD21 LEU 70 -10.060 9.834 -6.662 546 HD22 LEU 70 HD22 LEU 70 -11.412 8.748 -6.990 547 HD23 LEU 70 HD23 LEU 70 -9.866 8.502 -7.802 548 H ALA 71 HN ALA 71 -11.765 11.626 -3.642 549 HA ALA 71 HA ALA 71 -12.244 11.142 -0.788 550 HB1 ALA 71 HB1 ALA 71 -11.496 13.388 -1.425 551 HB2 ALA 71 HB2 ALA 71 -13.107 13.414 -0.708 552 HB3 ALA 71 HB3 ALA 71 -12.916 13.563 -2.455 553 H GLY 72 HN GLY 72 -13.962 9.938 -0.319 554 HA2 GLY 72 HA1 GLY 72 -16.531 10.372 -0.458 555 HA3 GLY 72 HA2 GLY 72 -16.263 9.955 -2.144 556 H ARG 73 HN ARG 73 -17.782 8.221 -1.780 557 HA ARG 73 HA ARG 73 -16.769 6.001 -0.165 558 HB2 ARG 73 HB2 ARG 73 -19.476 6.518 -1.400 559 HB3 ARG 73 HB1 ARG 73 -19.045 5.004 -0.618 560 HG2 ARG 73 HG2 ARG 73 -20.196 6.203 1.014 561 HG3 ARG 73 HG1 ARG 73 -18.495 6.417 1.433 562 HD2 ARG 73 HD2 ARG 73 -19.651 8.527 1.631 563 HD3 ARG 73 HD1 ARG 73 -18.515 8.597 0.284 564 HE ARG 73 HE ARG 73 -20.953 7.832 -0.776 565 HH11 ARG 73 HH11 ARG 73 -19.636 10.577 0.916 566 HH12 ARG 73 HH12 ARG 73 -20.709 11.714 0.171 567 HH21 ARG 73 HH21 ARG 73 -22.370 9.322 -1.763 568 HH22 ARG 73 HH22 ARG 73 -22.264 11.001 -1.352 569 H LEU 74 HN LEU 74 -15.347 4.854 -1.296 570 HA LEU 74 HA LEU 74 -15.779 4.344 -4.133 571 HB2 LEU 74 HB1 LEU 74 -13.479 3.509 -2.365 572 HB3 LEU 74 HB2 LEU 74 -13.538 3.399 -4.113 573 HG LEU 74 HG LEU 74 -13.630 5.999 -2.580 574 HD11 LEU 74 HD11 LEU 74 -11.312 4.688 -3.994 575 HD12 LEU 74 HD12 LEU 74 -11.494 4.856 -2.247 576 HD13 LEU 74 HD13 LEU 74 -11.310 6.290 -3.256 577 HD21 LEU 74 HD21 LEU 74 -13.173 5.438 -5.507 578 HD22 LEU 74 HD22 LEU 74 -13.211 7.023 -4.733 579 HD23 LEU 74 HD23 LEU 74 -14.676 6.042 -4.808 580 H GLU 75 HN GLU 75 -17.357 2.822 -4.344 581 HA GLU 75 HA GLU 75 -17.674 0.599 -2.648 582 HB2 GLU 75 HB1 GLU 75 -19.493 1.495 -4.025 583 HB3 GLU 75 HB2 GLU 75 -18.630 1.026 -5.485 584 HG2 GLU 75 HG1 GLU 75 -18.826 -1.301 -4.893 585 HG3 GLU 75 HG2 GLU 75 -19.607 -0.870 -3.373 586 H ILE 76 HN ILE 76 -15.784 -0.532 -2.422 587 HA ILE 76 HA ILE 76 -14.521 -1.631 -4.821 588 HB ILE 76 HB ILE 76 -13.637 -1.192 -2.011 589 HG12 ILE 76 HG12 ILE 76 -13.158 0.153 -4.252 590 HG13 ILE 76 HG11 ILE 76 -11.949 0.022 -2.981 591 HG21 ILE 76 HG21 ILE 76 -13.228 -3.555 -2.206 592 HG22 ILE 76 HG22 ILE 76 -11.693 -2.692 -2.329 593 HG23 ILE 76 HG23 ILE 76 -12.464 -3.331 -3.781 594 HD11 ILE 76 HD11 ILE 76 -11.107 -0.326 -5.300 595 HD12 ILE 76 HD12 ILE 76 -12.070 -1.804 -5.364 596 HD13 ILE 76 HD13 ILE 76 -10.768 -1.650 -4.186 597 H GLU 77 HN GLU 77 -14.004 -3.859 -4.954 598 HA GLU 77 HA GLU 77 -15.691 -5.646 -3.349 599 HB2 GLU 77 HB2 GLU 77 -16.088 -6.995 -5.450 600 HB3 GLU 77 HB1 GLU 77 -16.924 -5.451 -5.372 601 HG2 GLU 77 HG2 GLU 77 -15.166 -4.465 -6.794 602 HG3 GLU 77 HG1 GLU 77 -14.416 -6.056 -6.923 603 H VAL 78 HN VAL 78 -13.977 -6.351 -2.153 604 HA VAL 78 HA VAL 78 -11.458 -7.071 -3.245 605 HB VAL 78 HB VAL 78 -12.601 -7.911 -0.584 606 HG11 VAL 78 HG21 VAL 78 -9.793 -7.407 -1.527 607 HG12 VAL 78 HG22 VAL 78 -10.519 -8.977 -1.184 608 HG13 VAL 78 HG23 VAL 78 -10.262 -7.820 0.121 609 HG21 VAL 78 HG11 VAL 78 -11.203 -5.323 -1.255 610 HG22 VAL 78 HG12 VAL 78 -11.724 -5.844 0.348 611 HG23 VAL 78 HG13 VAL 78 -12.921 -5.495 -0.899 612 H ASN 79 HN ASN 79 -11.580 -8.704 -4.785 613 HA ASN 79 HA ASN 79 -13.262 -10.976 -4.487 614 HB2 ASN 79 HB1 ASN 79 -10.798 -10.876 -6.214 615 HB3 ASN 79 HB2 ASN 79 -12.293 -11.764 -6.490 616 HD21 ASN 79 HD21 ASN 79 -10.840 -8.588 -6.400 617 HD22 ASN 79 HD22 ASN 79 -11.987 -7.822 -7.442 618 H GLY 80 HN GLY 80 -9.877 -10.331 -3.761 619 HA2 GLY 80 HA1 GLY 80 -8.808 -12.780 -3.324 620 HA3 GLY 80 HA2 GLY 80 -8.467 -11.408 -2.283 621 H ASN 81 HN ASN 81 -11.362 -11.343 -1.495 622 HA ASN 81 HA ASN 81 -11.598 -13.794 0.075 623 HB2 ASN 81 HB2 ASN 81 -12.081 -12.424 2.122 624 HB3 ASN 81 HB1 ASN 81 -10.407 -12.352 1.579 625 HD21 ASN 81 HD21 ASN 81 -10.161 -10.397 2.695 626 HD22 ASN 81 HD22 ASN 81 -10.784 -8.917 2.063 627 H GLY 82 HN GLY 82 -13.001 -11.828 -2.054 628 HA2 GLY 82 HA2 GLY 82 -15.164 -11.518 -2.726 629 HA3 GLY 82 HA1 GLY 82 -15.610 -12.770 -1.579 630 H PHE 83 HN PHE 83 -13.941 -10.054 -0.283 631 HA PHE 83 HA PHE 83 -16.323 -9.300 1.164 632 HB2 PHE 83 HB2 PHE 83 -14.462 -9.391 2.573 633 HB3 PHE 83 HB1 PHE 83 -13.417 -8.595 1.399 634 HD1 PHE 83 HD2 PHE 83 -16.597 -7.820 3.207 635 HD2 PHE 83 HD1 PHE 83 -12.760 -6.480 1.944 636 HE1 PHE 83 HE2 PHE 83 -16.998 -5.654 4.300 637 HE2 PHE 83 HE1 PHE 83 -13.155 -4.310 3.034 638 HZ PHE 83 HZ PHE 83 -15.276 -3.895 4.214 639 H ARG 84 HN ARG 84 -17.689 -8.140 -0.094 640 HA ARG 84 HA ARG 84 -16.709 -5.980 -1.752 641 HB2 ARG 84 HB1 ARG 84 -18.641 -7.305 -2.497 642 HB3 ARG 84 HB2 ARG 84 -19.535 -6.828 -1.060 643 HG2 ARG 84 HG1 ARG 84 -19.481 -4.498 -1.799 644 HG3 ARG 84 HG2 ARG 84 -18.591 -4.981 -3.244 645 HD2 ARG 84 HD2 ARG 84 -20.455 -6.341 -3.977 646 HD3 ARG 84 HD1 ARG 84 -21.338 -5.974 -2.495 647 HE ARG 84 HE ARG 84 -20.737 -3.551 -3.706 648 HH11 ARG 84 HH11 ARG 84 -22.601 -6.408 -4.416 649 HH12 ARG 84 HH12 ARG 84 -23.769 -5.564 -5.378 650 HH21 ARG 84 HH21 ARG 84 -22.268 -2.432 -4.970 651 HH22 ARG 84 HH22 ARG 84 -23.578 -3.304 -5.695 652 H GLY 85 HN GLY 85 -16.003 -4.207 -0.703 653 HA2 GLY 85 HA2 GLY 85 -17.790 -3.094 1.357 654 HA3 GLY 85 HA1 GLY 85 -16.096 -3.323 1.747 655 H GLU 86 HN GLU 86 -18.014 -0.966 1.389 656 HA GLU 86 HA GLU 86 -16.625 0.606 -0.630 657 HB2 GLU 86 HB1 GLU 86 -18.816 1.441 1.287 658 HB3 GLU 86 HB2 GLU 86 -18.255 2.343 -0.114 659 HG2 GLU 86 HG2 GLU 86 -19.115 0.657 -1.602 660 HG3 GLU 86 HG1 GLU 86 -19.567 -0.362 -0.237 661 H LEU 87 HN LEU 87 -14.814 1.684 -0.126 662 HA LEU 87 HA LEU 87 -14.541 2.782 2.580 663 HB2 LEU 87 HB2 LEU 87 -13.376 0.517 2.274 664 HB3 LEU 87 HB1 LEU 87 -12.256 1.370 1.230 665 HG LEU 87 HG LEU 87 -11.532 2.772 3.066 666 HD11 LEU 87 HD21 LEU 87 -13.562 1.279 4.723 667 HD12 LEU 87 HD22 LEU 87 -13.638 2.979 4.260 668 HD13 LEU 87 HD23 LEU 87 -12.365 2.416 5.343 669 HD21 LEU 87 HD11 LEU 87 -11.612 -0.144 3.830 670 HD22 LEU 87 HD12 LEU 87 -10.505 1.062 4.485 671 HD23 LEU 87 HD13 LEU 87 -10.424 0.624 2.779 672 H SER 88 HN SER 88 -12.637 4.294 2.728 673 HA SER 88 HA SER 88 -12.789 6.179 0.577 674 HB2 SER 88 HB2 SER 88 -11.043 6.174 3.054 675 HB3 SER 88 HB1 SER 88 -11.282 7.546 1.971 676 HG SER 88 HG SER 88 -12.809 6.731 4.020 677 H ALA 89 HN ALA 89 -10.277 7.237 0.369 678 HA ALA 89 HA ALA 89 -8.945 5.188 -1.212 679 HB1 ALA 89 HB1 ALA 89 -8.280 8.119 -0.986 680 HB2 ALA 89 HB2 ALA 89 -9.398 7.432 -2.164 681 HB3 ALA 89 HB3 ALA 89 -7.693 6.987 -2.204 682 H ASP 90 HN ASP 90 -8.609 6.807 1.787 683 HA ASP 90 HA ASP 90 -5.784 6.325 2.065 684 HB2 ASP 90 HB1 ASP 90 -6.838 8.256 3.159 685 HB3 ASP 90 HB2 ASP 90 -7.839 7.170 4.120 686 H ALA 91 HN ALA 91 -8.673 5.104 3.792 687 HA ALA 91 HA ALA 91 -7.262 3.069 5.158 688 HB1 ALA 91 HB1 ALA 91 -9.388 3.949 5.970 689 HB2 ALA 91 HB2 ALA 91 -9.463 2.198 5.764 690 HB3 ALA 91 HB3 ALA 91 -10.215 3.260 4.573 691 H ALA 92 HN ALA 92 -8.161 3.292 1.911 692 HA ALA 92 HA ALA 92 -8.313 0.387 1.574 693 HB1 ALA 92 HB1 ALA 92 -10.023 1.741 0.448 694 HB2 ALA 92 HB2 ALA 92 -9.025 0.856 -0.705 695 HB3 ALA 92 HB3 ALA 92 -8.758 2.581 -0.449 696 H GLY 93 HN GLY 93 -6.340 3.186 0.821 697 HA2 GLY 93 HA2 GLY 93 -4.571 1.976 -1.000 698 HA3 GLY 93 HA1 GLY 93 -4.195 3.362 0.017 699 H ILE 94 HN ILE 94 -4.924 1.668 2.410 700 HA ILE 94 HA ILE 94 -2.304 0.835 3.079 701 HB ILE 94 HB ILE 94 -4.710 -0.269 4.491 702 HG12 ILE 94 HG12 ILE 94 -5.338 2.029 4.204 703 HG13 ILE 94 HG11 ILE 94 -4.763 1.832 5.858 704 HG21 ILE 94 HG21 ILE 94 -3.292 0.037 6.465 705 HG22 ILE 94 HG22 ILE 94 -2.027 0.719 5.444 706 HG23 ILE 94 HG23 ILE 94 -2.511 -0.965 5.242 707 HD11 ILE 94 HD11 ILE 94 -2.714 2.919 5.357 708 HD12 ILE 94 HD12 ILE 94 -4.018 3.916 4.705 709 HD13 ILE 94 HD13 ILE 94 -3.059 2.902 3.627 710 H VAL 95 HN VAL 95 -5.180 -0.898 2.019 711 HA VAL 95 HA VAL 95 -4.003 -3.498 2.244 712 HB VAL 95 HB VAL 95 -6.486 -2.664 0.739 713 HG11 VAL 95 HG11 VAL 95 -7.155 -5.016 1.050 714 HG12 VAL 95 HG12 VAL 95 -5.570 -5.355 1.745 715 HG13 VAL 95 HG13 VAL 95 -5.704 -4.847 0.061 716 HG21 VAL 95 HG21 VAL 95 -7.707 -3.367 2.755 717 HG22 VAL 95 HG22 VAL 95 -6.648 -1.990 3.059 718 HG23 VAL 95 HG23 VAL 95 -6.170 -3.603 3.587 719 H ALA 96 HN ALA 96 -4.250 -1.075 -0.268 720 HA ALA 96 HA ALA 96 -3.764 -2.791 -2.474 721 HB1 ALA 96 HB1 ALA 96 -3.348 -0.753 -3.727 722 HB2 ALA 96 HB2 ALA 96 -3.253 0.168 -2.226 723 HB3 ALA 96 HB3 ALA 96 -4.777 -0.577 -2.709 724 H THR 97 HN THR 97 -1.599 -0.673 -0.590 725 HA THR 97 HA THR 97 0.715 -1.483 -2.082 726 HB THR 97 HB THR 97 0.744 0.730 -1.188 727 HG1 THR 97 HG1 THR 97 2.685 0.571 0.126 728 HG21 THR 97 HG21 THR 97 -0.803 0.357 0.691 729 HG22 THR 97 HG22 THR 97 0.652 1.214 1.195 730 HG23 THR 97 HG23 THR 97 0.471 -0.503 1.554 731 H LEU 98 HN LEU 98 -0.628 -2.284 1.107 732 HA LEU 98 HA LEU 98 1.450 -3.683 2.213 733 HB2 LEU 98 HB2 LEU 98 -1.029 -3.185 2.997 734 HB3 LEU 98 HB1 LEU 98 -1.287 -4.828 2.446 735 HG LEU 98 HG LEU 98 0.752 -5.389 3.940 736 HD11 LEU 98 HD21 LEU 98 0.955 -3.924 5.902 737 HD12 LEU 98 HD22 LEU 98 -0.133 -2.770 5.133 738 HD13 LEU 98 HD23 LEU 98 1.439 -3.116 4.411 739 HD21 LEU 98 HD11 LEU 98 -0.732 -5.661 5.894 740 HD22 LEU 98 HD12 LEU 98 -1.473 -6.210 4.390 741 HD23 LEU 98 HD13 LEU 98 -1.936 -4.656 5.085 742 H PHE 99 HN PHE 99 -1.145 -5.080 0.205 743 HA PHE 99 HA PHE 99 -0.164 -7.685 0.126 744 HB2 PHE 99 HB2 PHE 99 -1.993 -6.091 -1.614 745 HB3 PHE 99 HB1 PHE 99 -1.439 -7.662 -2.186 746 HD1 PHE 99 HD2 PHE 99 -3.201 -5.968 0.603 747 HD2 PHE 99 HD1 PHE 99 -2.392 -9.640 -1.396 748 HE1 PHE 99 HE2 PHE 99 -4.938 -7.080 1.944 749 HE2 PHE 99 HE1 PHE 99 -4.129 -10.756 -0.057 750 HZ PHE 99 HZ PHE 99 -5.404 -9.475 1.615 751 H ALA 100 HN ALA 100 0.824 -4.871 -1.672 752 HA ALA 100 HA ALA 100 2.155 -6.182 -3.790 753 HB1 ALA 100 HB1 ALA 100 1.571 -3.801 -3.851 754 HB2 ALA 100 HB2 ALA 100 3.286 -4.063 -4.169 755 HB3 ALA 100 HB3 ALA 100 2.761 -3.482 -2.588 756 H LEU 101 HN LEU 101 3.254 -5.067 -0.617 757 HA LEU 101 HA LEU 101 5.975 -5.630 -0.899 758 HB2 LEU 101 HB2 LEU 101 4.264 -5.749 1.585 759 HB3 LEU 101 HB1 LEU 101 6.016 -5.712 1.570 760 HG LEU 101 HG LEU 101 4.280 -3.507 0.460 761 HD11 LEU 101 HD21 LEU 101 4.863 -2.269 2.493 762 HD12 LEU 101 HD22 LEU 101 5.652 -3.709 3.137 763 HD13 LEU 101 HD23 LEU 101 3.911 -3.710 2.851 764 HD21 LEU 101 HD11 LEU 101 7.224 -3.638 1.093 765 HD22 LEU 101 HD12 LEU 101 6.351 -2.206 0.546 766 HD23 LEU 101 HD13 LEU 101 6.501 -3.606 -0.517 767 H GLY 102 HN GLY 102 3.305 -7.692 0.180 768 HA2 GLY 102 HA2 GLY 102 4.881 -9.904 0.953 769 HA3 GLY 102 HA1 GLY 102 3.176 -9.957 0.536 770 H GLN 103 HN GLN 103 3.794 -8.817 -2.171 771 HA GLN 103 HA GLN 103 4.253 -11.351 -3.460 772 HB2 GLN 103 HB2 GLN 103 2.558 -9.787 -4.308 773 HB3 GLN 103 HB1 GLN 103 3.816 -8.607 -4.653 774 HG2 GLN 103 HG2 GLN 103 4.812 -10.139 -6.272 775 HG3 GLN 103 HG1 GLN 103 3.554 -11.323 -5.926 776 HE21 GLN 103 HE21 GLN 103 1.480 -9.284 -5.674 777 HE22 GLN 103 HE22 GLN 103 1.121 -8.768 -7.283 778 H LEU 104 HN LEU 104 5.922 -8.222 -3.309 779 HA LEU 104 HA LEU 104 8.020 -8.815 -5.061 780 HB2 LEU 104 HB1 LEU 104 7.744 -6.928 -2.746 781 HB3 LEU 104 HB2 LEU 104 9.276 -7.091 -3.581 782 HG LEU 104 HG LEU 104 6.694 -6.332 -4.947 783 HD11 LEU 104 HD11 LEU 104 8.941 -4.576 -3.972 784 HD12 LEU 104 HD12 LEU 104 7.296 -4.617 -3.337 785 HD13 LEU 104 HD13 LEU 104 7.594 -4.051 -4.981 786 HD21 LEU 104 HD21 LEU 104 8.159 -5.655 -6.773 787 HD22 LEU 104 HD22 LEU 104 8.370 -7.365 -6.399 788 HD23 LEU 104 HD23 LEU 104 9.567 -6.190 -5.854 789 H ALA 105 HN ALA 105 7.791 -9.243 -1.550 790 HA ALA 105 HA ALA 105 10.385 -10.135 -1.067 791 HB1 ALA 105 HB1 ALA 105 7.858 -10.953 0.361 792 HB2 ALA 105 HB2 ALA 105 8.819 -9.515 0.703 793 HB3 ALA 105 HB3 ALA 105 9.501 -11.117 0.980 794 H ALA 106 HN ALA 106 7.563 -11.870 -2.236 795 HA ALA 106 HA ALA 106 9.025 -14.402 -2.201 796 HB1 ALA 106 HB1 ALA 106 6.889 -15.426 -2.758 797 HB2 ALA 106 HB2 ALA 106 6.157 -13.830 -2.924 798 HB3 ALA 106 HB3 ALA 106 6.732 -14.375 -1.349 799 H GLU 107 HN GLU 107 8.605 -11.839 -4.278 800 HA GLU 107 HA GLU 107 8.459 -13.400 -6.721 801 HB2 GLU 107 HB2 GLU 107 7.271 -11.266 -6.603 802 HB3 GLU 107 HB1 GLU 107 8.782 -10.427 -6.286 803 HG2 GLU 107 HG1 GLU 107 9.607 -11.081 -8.493 804 HG3 GLU 107 HG2 GLU 107 8.084 -11.911 -8.809 805 H ILE 108 HN ILE 108 10.847 -11.630 -4.848 806 HA ILE 108 HA ILE 108 12.881 -11.600 -6.813 807 HB ILE 108 HB ILE 108 14.438 -11.178 -4.941 808 HG12 ILE 108 HG12 ILE 108 11.987 -11.456 -3.186 809 HG13 ILE 108 HG11 ILE 108 13.281 -12.648 -3.289 810 HG21 ILE 108 HG21 ILE 108 13.417 -9.055 -4.217 811 HG22 ILE 108 HG22 ILE 108 11.875 -9.590 -4.888 812 HG23 ILE 108 HG23 ILE 108 13.258 -9.326 -5.952 813 HD11 ILE 108 HD11 ILE 108 13.558 -11.282 -1.326 814 HD12 ILE 108 HD12 ILE 108 13.537 -9.817 -2.307 815 HD13 ILE 108 HD13 ILE 108 14.866 -10.965 -2.465 816 H ALA 109 HN ALA 109 11.561 -14.140 -5.041 817 HA ALA 109 HA ALA 109 12.039 -16.360 -4.943 818 HB1 ALA 109 HB1 ALA 109 13.734 -17.310 -6.423 819 HB2 ALA 109 HB2 ALA 109 14.319 -15.690 -6.798 820 HB3 ALA 109 HB3 ALA 109 12.694 -16.173 -7.281 821 H ASP 110 HN ASP 110 15.325 -14.990 -5.176 822 HA ASP 110 HA ASP 110 16.608 -16.560 -3.372 823 HB2 ASP 110 HB1 ASP 110 18.176 -14.691 -2.999 824 HB3 ASP 110 HB2 ASP 110 17.767 -14.877 -4.701 825 H THR 111 HN THR 111 16.808 -16.764 -1.209 826 HA THR 111 HA THR 111 14.827 -15.402 0.431 827 HB THR 111 HB THR 111 15.405 -17.013 2.170 828 HG1 THR 111 HG1 THR 111 17.677 -17.225 0.755 829 HG21 THR 111 HG21 THR 111 13.793 -17.691 0.446 830 HG22 THR 111 HG22 THR 111 14.725 -19.067 1.036 831 HG23 THR 111 HG23 THR 111 15.112 -18.345 -0.526 832 H ASP 112 HN ASP 112 17.669 -14.433 -0.579 833 HA ASP 112 HA ASP 112 19.108 -13.874 1.815 834 HB2 ASP 112 HB1 ASP 112 19.284 -12.652 -0.947 835 HB3 ASP 112 HB2 ASP 112 20.414 -12.314 0.362 836 H ALA 113 HN ALA 113 17.286 -11.724 -0.380 837 HA ALA 113 HA ALA 113 17.031 -9.808 1.833 838 HB1 ALA 113 HB1 ALA 113 16.620 -9.381 -1.125 839 HB2 ALA 113 HB2 ALA 113 18.056 -8.936 -0.204 840 HB3 ALA 113 HB3 ALA 113 16.516 -8.141 0.125 841 H ALA 114 HN ALA 114 15.364 -12.316 0.820 842 HA ALA 114 HA ALA 114 12.763 -11.293 0.298 843 HB1 ALA 114 HB1 ALA 114 13.583 -14.011 1.309 844 HB2 ALA 114 HB2 ALA 114 13.451 -13.537 -0.385 845 HB3 ALA 114 HB3 ALA 114 12.011 -13.589 0.633 846 H ASP 115 HN ASP 115 14.568 -11.192 3.055 847 HA ASP 115 HA ASP 115 12.172 -11.137 4.762 848 HB2 ASP 115 HB2 ASP 115 14.985 -11.975 5.488 849 HB3 ASP 115 HB1 ASP 115 13.692 -11.735 6.660 850 H ALA 116 HN ALA 116 14.545 -9.258 3.349 851 HA ALA 116 HA ALA 116 14.889 -7.422 5.556 852 HB1 ALA 116 HB1 ALA 116 15.779 -7.207 2.682 853 HB2 ALA 116 HB2 ALA 116 16.741 -7.846 4.014 854 HB3 ALA 116 HB3 ALA 116 16.269 -6.146 4.003 855 H LEU 117 HN LEU 117 13.492 -7.239 2.265 856 HA LEU 117 HA LEU 117 12.345 -4.693 2.632 857 HB2 LEU 117 HB2 LEU 117 11.282 -4.986 0.569 858 HB3 LEU 117 HB1 LEU 117 12.761 -5.910 0.432 859 HG LEU 117 HG LEU 117 11.147 -7.242 -0.597 860 HD11 LEU 117 HD21 LEU 117 11.180 -8.307 2.212 861 HD12 LEU 117 HD22 LEU 117 12.523 -8.450 1.081 862 HD13 LEU 117 HD23 LEU 117 10.980 -9.220 0.718 863 HD21 LEU 117 HD11 LEU 117 9.150 -6.097 0.009 864 HD22 LEU 117 HD12 LEU 117 9.318 -6.579 1.697 865 HD23 LEU 117 HD13 LEU 117 8.961 -7.791 0.466 866 H ILE 118 HN ILE 118 11.519 -7.731 3.841 867 HA ILE 118 HA ILE 118 8.724 -7.516 4.062 868 HB ILE 118 HB ILE 118 10.807 -9.074 5.563 869 HG12 ILE 118 HG12 ILE 118 10.136 -9.834 3.329 870 HG13 ILE 118 HG11 ILE 118 9.641 -10.986 4.565 871 HG21 ILE 118 HG21 ILE 118 9.116 -8.440 7.222 872 HG22 ILE 118 HG22 ILE 118 9.073 -10.169 6.873 873 HG23 ILE 118 HG23 ILE 118 7.854 -9.100 6.182 874 HD11 ILE 118 HD11 ILE 118 7.917 -10.685 2.879 875 HD12 ILE 118 HD12 ILE 118 7.854 -8.960 3.242 876 HD13 ILE 118 HD13 ILE 118 7.365 -10.135 4.461 877 H ASP 119 HN ASP 119 11.366 -6.187 5.873 878 HA ASP 119 HA ASP 119 10.230 -5.513 8.281 879 HB2 ASP 119 HB2 ASP 119 12.419 -4.484 6.617 880 HB3 ASP 119 HB1 ASP 119 11.729 -3.288 7.707 881 H ARG 120 HN ARG 120 10.049 -3.733 5.213 882 HA ARG 120 HA ARG 120 8.649 -1.507 6.122 883 HB2 ARG 120 HB2 ARG 120 8.693 -2.873 3.433 884 HB3 ARG 120 HB1 ARG 120 7.820 -1.374 3.719 885 HG2 ARG 120 HG2 ARG 120 9.918 -0.819 2.756 886 HG3 ARG 120 HG1 ARG 120 9.971 -0.346 4.455 887 HD2 ARG 120 HD2 ARG 120 11.198 -2.390 4.989 888 HD3 ARG 120 HD1 ARG 120 11.136 -2.874 3.295 889 HE ARG 120 HE ARG 120 12.362 -0.555 3.056 890 HH11 ARG 120 HH11 ARG 120 12.847 -3.055 5.435 891 HH12 ARG 120 HH12 ARG 120 14.524 -2.691 5.663 892 HH21 ARG 120 HH21 ARG 120 14.571 -0.072 3.348 893 HH22 ARG 120 HH22 ARG 120 15.504 -0.995 4.478 894 H TYR 121 HN TYR 121 7.480 -4.666 5.058 895 HA TYR 121 HA TYR 121 4.753 -4.103 4.969 896 HB2 TYR 121 HB2 TYR 121 5.787 -6.214 4.162 897 HB3 TYR 121 HB1 TYR 121 6.037 -6.703 5.835 898 HD1 TYR 121 HD2 TYR 121 3.952 -6.935 7.320 899 HD2 TYR 121 HD1 TYR 121 3.781 -6.706 3.076 900 HE1 TYR 121 HE2 TYR 121 1.709 -7.945 7.362 901 HE2 TYR 121 HE1 TYR 121 1.538 -7.713 3.105 902 HH TYR 121 HH TYR 121 0.179 -9.141 4.589 903 H HIS 122 HN HIS 122 6.697 -5.341 7.683 904 HA HIS 122 HA HIS 122 4.597 -5.396 9.557 905 HB2 HIS 122 HB2 HIS 122 7.591 -5.197 9.889 906 HB3 HIS 122 HB1 HIS 122 6.489 -5.317 11.256 907 HD1 HIS 122 HD1 HIS 122 5.767 -7.614 11.923 908 HD2 HIS 122 HD2 HIS 122 7.515 -7.536 8.154 909 HE1 HIS 122 HE1 HIS 122 6.009 -10.023 11.245 910 HE2 HIS 122 HE2 HIS 122 6.990 -9.948 8.925 911 H PHE 123 HN PHE 123 6.719 -2.851 8.462 912 HA PHE 123 HA PHE 123 6.225 -1.016 10.557 913 HB2 PHE 123 HB2 PHE 123 7.066 -0.569 7.687 914 HB3 PHE 123 HB1 PHE 123 7.002 0.706 8.899 915 HD1 PHE 123 HD1 PHE 123 8.015 -1.100 11.202 916 HD2 PHE 123 HD2 PHE 123 9.397 -0.361 7.245 917 HE1 PHE 123 HE1 PHE 123 10.308 -1.645 11.905 918 HE2 PHE 123 HE2 PHE 123 11.692 -0.909 7.941 919 HZ PHE 123 HZ PHE 123 12.150 -1.551 10.273 920 H LEU 124 HN LEU 124 4.869 -1.140 7.251 921 HA LEU 124 HA LEU 124 2.951 0.864 7.655 922 HB2 LEU 124 HB2 LEU 124 3.526 0.221 5.432 923 HB3 LEU 124 HB1 LEU 124 3.064 -1.444 5.724 924 HG LEU 124 HG LEU 124 0.714 -0.794 5.857 925 HD11 LEU 124 HD21 LEU 124 0.976 1.434 6.793 926 HD12 LEU 124 HD22 LEU 124 0.019 1.490 5.313 927 HD13 LEU 124 HD23 LEU 124 1.708 1.995 5.290 928 HD21 LEU 124 HD11 LEU 124 2.093 0.293 3.407 929 HD22 LEU 124 HD12 LEU 124 0.391 -0.155 3.522 930 HD23 LEU 124 HD13 LEU 124 1.640 -1.389 3.686 931 H ARG 125 HN ARG 125 2.774 -2.640 8.003 932 HA ARG 125 HA ARG 125 0.162 -3.128 8.469 933 HB2 ARG 125 HB2 ARG 125 2.055 -4.775 8.680 934 HB3 ARG 125 HB1 ARG 125 2.327 -4.165 10.306 935 HG2 ARG 125 HG1 ARG 125 1.046 -6.172 10.452 936 HG3 ARG 125 HG2 ARG 125 -0.004 -4.817 10.875 937 HD2 ARG 125 HD1 ARG 125 -0.994 -4.847 8.671 938 HD3 ARG 125 HD2 ARG 125 0.120 -6.113 8.155 939 HE ARG 125 HE ARG 125 -1.533 -6.794 10.426 940 HH11 ARG 125 HH11 ARG 125 -1.198 -6.839 6.958 941 HH12 ARG 125 HH12 ARG 125 -2.308 -8.149 6.738 942 HH21 ARG 125 HH21 ARG 125 -2.998 -8.521 10.145 943 HH22 ARG 125 HH22 ARG 125 -3.334 -9.103 8.547 944 H GLY 126 HN GLY 126 2.370 -1.457 10.646 945 HA2 GLY 126 HA2 GLY 126 0.888 -1.322 12.962 946 HA3 GLY 126 HA1 GLY 126 1.950 -0.040 12.400 947 H PHE 127 HN PHE 127 0.601 0.775 10.102 948 HA PHE 127 HA PHE 127 -1.310 2.537 11.122 949 HB2 PHE 127 HB1 PHE 127 -0.066 2.743 8.918 950 HB3 PHE 127 HB2 PHE 127 -1.213 1.583 8.254 951 HD1 PHE 127 HD2 PHE 127 -0.757 4.991 9.492 952 HD2 PHE 127 HD1 PHE 127 -3.510 2.198 7.839 953 HE1 PHE 127 HE2 PHE 127 -2.320 6.827 9.005 954 HE2 PHE 127 HE1 PHE 127 -5.078 4.029 7.349 955 HZ PHE 127 HZ PHE 127 -4.485 6.347 7.933 956 H ALA 128 HN ALA 128 -1.652 -0.599 9.557 957 HA ALA 128 HA ALA 128 -4.522 -0.592 9.788 958 HB1 ALA 128 HB1 ALA 128 -4.309 -2.929 8.916 959 HB2 ALA 128 HB2 ALA 128 -2.562 -2.690 8.871 960 HB3 ALA 128 HB3 ALA 128 -3.616 -1.689 7.872 961 H ALA 129 HN ALA 129 -2.607 -0.463 12.096 962 HA ALA 129 HA ALA 129 -3.708 -2.708 13.667 963 HB1 ALA 129 HB1 ALA 129 -1.731 -2.588 15.083 964 HB2 ALA 129 HB2 ALA 129 -1.107 -1.256 14.111 965 HB3 ALA 129 HB3 ALA 129 -1.281 -2.860 13.399 966 H GLY 130 HN GLY 130 -4.419 0.276 13.104 967 HA2 GLY 130 HA2 GLY 130 -5.511 0.773 15.723 968 HA3 GLY 130 HA1 GLY 130 -4.239 1.907 15.284 969 H HIS 131 HN HIS 131 -5.946 0.684 12.658 970 HA HIS 131 HA HIS 131 -6.888 3.154 11.773 971 HB2 HIS 131 HB1 HIS 131 -8.392 1.451 10.339 972 HB3 HIS 131 HB2 HIS 131 -6.689 1.731 10.014 973 HD1 HIS 131 HD1 HIS 131 -7.386 -0.301 13.010 974 HD2 HIS 131 HD2 HIS 131 -6.606 -0.932 8.982 975 HE1 HIS 131 HE1 HIS 131 -6.830 -2.744 12.807 976 HE2 HIS 131 HE2 HIS 131 -6.475 -3.124 10.344 977 HA PRO 132 HA PRO 132 -10.779 3.535 13.908 978 HB2 PRO 132 HB1 PRO 132 -11.871 5.492 12.401 979 HB3 PRO 132 HB2 PRO 132 -10.541 5.809 13.521 980 HG2 PRO 132 HG2 PRO 132 -10.470 5.415 10.554 981 HG3 PRO 132 HG1 PRO 132 -9.605 6.604 11.545 982 HD2 PRO 132 HD1 PRO 132 -8.457 4.311 10.617 983 HD3 PRO 132 HD2 PRO 132 -7.959 5.108 12.122 984 H GLU 133 HN GLU 133 -10.288 2.685 10.657 985 HA GLU 133 HA GLU 133 -13.049 1.701 10.370 986 HB2 GLU 133 HB1 GLU 133 -11.118 2.841 8.437 987 HB3 GLU 133 HB2 GLU 133 -12.055 1.467 7.869 988 HG2 GLU 133 HG2 GLU 133 -13.258 3.929 9.091 989 HG3 GLU 133 HG1 GLU 133 -13.045 3.692 7.357 990 H ALA 134 HN ALA 134 -10.516 0.647 11.658 991 HA ALA 134 HA ALA 134 -9.211 -1.392 10.617 992 HB1 ALA 134 HB1 ALA 134 -9.092 -0.910 12.962 993 HB2 ALA 134 HB2 ALA 134 -9.502 -2.617 12.764 994 HB3 ALA 134 HB3 ALA 134 -10.754 -1.454 13.205 995 H ALA 135 HN ALA 135 -12.605 -1.626 11.596 996 HA ALA 135 HA ALA 135 -13.160 -4.226 11.133 997 HB1 ALA 135 HB1 ALA 135 -15.453 -3.572 10.645 998 HB2 ALA 135 HB2 ALA 135 -14.927 -1.913 10.356 999 HB3 ALA 135 HB3 ALA 135 -14.791 -2.613 11.969 1000 H ALA 136 HN ALA 136 -13.241 -1.679 8.639 1001 HA ALA 136 HA ALA 136 -13.847 -3.521 6.541 1002 HB1 ALA 136 HB1 ALA 136 -14.476 -1.156 6.447 1003 HB2 ALA 136 HB2 ALA 136 -13.532 -1.652 5.042 1004 HB3 ALA 136 HB3 ALA 136 -12.771 -0.719 6.329 1005 H ILE 137 HN ILE 137 -10.850 -1.982 7.632 1006 HA ILE 137 HA ILE 137 -9.259 -2.857 5.478 1007 HB ILE 137 HB ILE 137 -8.508 -1.992 8.256 1008 HG12 ILE 137 HG12 ILE 137 -8.192 -0.565 5.613 1009 HG13 ILE 137 HG11 ILE 137 -9.594 -0.360 6.659 1010 HG21 ILE 137 HG21 ILE 137 -6.766 -3.454 7.379 1011 HG22 ILE 137 HG22 ILE 137 -6.213 -1.779 7.433 1012 HG23 ILE 137 HG23 ILE 137 -6.697 -2.499 5.897 1013 HD11 ILE 137 HD11 ILE 137 -7.912 1.420 6.902 1014 HD12 ILE 137 HD12 ILE 137 -6.760 0.211 7.479 1015 HD13 ILE 137 HD13 ILE 137 -8.228 0.544 8.401 1016 H TYR 138 HN TYR 138 -9.587 -4.278 8.776 1017 HA TYR 138 HA TYR 138 -7.651 -6.270 8.300 1018 HB2 TYR 138 HB1 TYR 138 -8.083 -7.016 10.416 1019 HB3 TYR 138 HB2 TYR 138 -8.755 -5.395 10.534 1020 HD1 TYR 138 HD1 TYR 138 -11.166 -5.052 10.651 1021 HD2 TYR 138 HD2 TYR 138 -9.519 -8.967 10.428 1022 HE1 TYR 138 HE1 TYR 138 -13.325 -5.995 11.355 1023 HE2 TYR 138 HE2 TYR 138 -11.673 -9.920 11.130 1024 HH TYR 138 HH TYR 138 -14.548 -8.113 11.200 1025 H ARG 139 HN ARG 139 -11.188 -6.299 7.914 1026 HA ARG 139 HA ARG 139 -11.274 -9.084 7.310 1027 HB2 ARG 139 HB1 ARG 139 -13.580 -8.697 6.611 1028 HB3 ARG 139 HB2 ARG 139 -13.251 -7.925 8.155 1029 HG2 ARG 139 HG2 ARG 139 -12.935 -5.776 6.921 1030 HG3 ARG 139 HG1 ARG 139 -13.501 -6.603 5.467 1031 HD2 ARG 139 HD2 ARG 139 -15.636 -7.003 6.412 1032 HD3 ARG 139 HD1 ARG 139 -15.088 -6.543 8.023 1033 HE ARG 139 HE ARG 139 -14.868 -4.418 6.114 1034 HH11 ARG 139 HH11 ARG 139 -17.025 -6.062 8.301 1035 HH12 ARG 139 HH12 ARG 139 -18.074 -4.699 8.498 1036 HH21 ARG 139 HH21 ARG 139 -16.248 -2.617 6.364 1037 HH22 ARG 139 HH22 ARG 139 -17.635 -2.742 7.393 1038 H ALA 140 HN ALA 140 -10.644 -6.221 5.470 1039 HA ALA 140 HA ALA 140 -11.111 -7.438 2.913 1040 HB1 ALA 140 HB1 ALA 140 -11.282 -5.001 3.278 1041 HB2 ALA 140 HB2 ALA 140 -10.193 -5.431 1.959 1042 HB3 ALA 140 HB3 ALA 140 -9.536 -4.944 3.523 1043 H ILE 141 HN ILE 141 -8.319 -6.932 5.003 1044 HA ILE 141 HA ILE 141 -6.489 -8.025 3.042 1045 HB ILE 141 HB ILE 141 -4.775 -7.781 4.813 1046 HG12 ILE 141 HG11 ILE 141 -5.732 -6.236 6.771 1047 HG13 ILE 141 HG12 ILE 141 -7.194 -7.159 6.438 1048 HG21 ILE 141 HG21 ILE 141 -6.478 -5.351 4.292 1049 HG22 ILE 141 HG22 ILE 141 -5.169 -5.961 3.279 1050 HG23 ILE 141 HG23 ILE 141 -4.818 -5.318 4.884 1051 HD11 ILE 141 HD11 ILE 141 -5.957 -8.185 8.226 1052 HD12 ILE 141 HD12 ILE 141 -4.512 -8.273 7.219 1053 HD13 ILE 141 HD13 ILE 141 -5.932 -9.236 6.809 1054 H ASP 142 HN ASP 142 -8.499 -9.222 5.526 1055 HA ASP 142 HA ASP 142 -6.947 -11.544 6.174 1056 HB2 ASP 142 HB1 ASP 142 -8.558 -10.626 7.773 1057 HB3 ASP 142 HB2 ASP 142 -9.874 -10.941 6.648
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