NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650213 | 6wa4 | 30739 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 2 H GLY 2 1.811 -0.001 0.854 2 HA2 GLY 2 2HA GLY 2 2.792 -0.803 -1.226 3 HA3 GLY 2 3HA GLY 2 1.383 -0.167 -2.062 4 H ASN 3 H ASN 3 4.436 0.326 -2.091 5 HA ASN 3 HA ASN 3 4.202 3.255 -2.190 6 HB2 ASN 3 2HB ASN 3 6.676 1.803 -1.237 7 HB3 ASN 3 3HB ASN 3 6.382 3.540 -1.222 8 HD21 ASN 3 1HD2 ASN 3 6.066 0.613 0.458 9 HD22 ASN 3 2HD2 ASN 3 5.195 1.214 1.824 10 H GLY 4 H GLY 4 4.888 4.146 -4.040 11 HA2 GLY 4 2HA GLY 4 6.984 3.788 -5.614 12 HA3 GLY 4 3HA GLY 4 6.039 2.375 -6.057 13 H GLN 5 H GLN 5 6.458 3.773 -8.141 14 HA GLN 5 HA GLN 5 4.246 5.683 -8.462 15 HB2 GLN 5 2HB GLN 5 5.496 6.320 -10.579 16 HB3 GLN 5 3HB GLN 5 6.280 6.730 -9.059 17 HG2 GLN 5 2HG GLN 5 8.007 5.344 -9.422 18 HG3 GLN 5 3HG GLN 5 6.997 4.108 -10.171 19 HE21 GLN 5 1HE2 GLN 5 8.861 6.992 -10.685 20 HE22 GLN 5 2HE2 GLN 5 8.917 6.894 -12.409 21 H GLY 6 H GLY 6 2.508 4.431 -8.965 22 HA2 GLY 6 2HA GLY 6 2.812 2.553 -11.221 23 HA3 GLY 6 3HA GLY 6 1.578 2.427 -9.976 24 H ARG 7 H ARG 7 0.362 2.217 -12.138 25 HA ARG 7 HA ARG 7 -0.087 4.379 -13.825 26 HB2 ARG 7 2HB ARG 7 -2.288 3.290 -14.306 27 HB3 ARG 7 3HB ARG 7 -0.906 2.208 -14.422 28 HG2 ARG 7 2HG ARG 7 -1.427 1.408 -12.121 29 HG3 ARG 7 3HG ARG 7 -2.900 2.379 -12.177 30 HD2 ARG 7 2HD ARG 7 -2.160 0.102 -14.011 31 HD3 ARG 7 3HD ARG 7 -3.409 0.092 -12.767 32 HE ARG 7 HE ARG 7 -3.624 1.155 -15.413 33 HH11 ARG 7 1HH1 ARG 7 -4.776 1.461 -12.142 34 HH12 ARG 7 2HH1 ARG 7 -6.288 2.171 -12.603 35 HH21 ARG 7 1HH2 ARG 7 -5.610 2.089 -16.032 36 HH22 ARG 7 2HH2 ARG 7 -6.761 2.527 -14.816 37 H ASP 8 H ASP 8 -1.690 3.517 -10.788 38 HA ASP 8 HA ASP 8 -3.600 5.611 -10.864 39 HB2 ASP 8 2HB ASP 8 -2.733 3.561 -8.952 40 HB3 ASP 8 3HB ASP 8 -3.285 5.051 -8.192 41 H TRP 9 H TRP 9 -0.310 5.378 -9.705 42 HA TRP 9 HA TRP 9 -0.322 7.775 -8.177 43 HB2 TRP 9 2HB TRP 9 1.361 5.798 -8.131 44 HB3 TRP 9 3HB TRP 9 2.145 6.640 -9.464 45 HD1 TRP 9 HD1 TRP 9 4.181 7.874 -8.543 46 HE1 TRP 9 HE1 TRP 9 4.693 9.310 -6.470 47 HE3 TRP 9 HE3 TRP 9 -0.315 7.466 -6.144 48 HZ2 TRP 9 HZ2 TRP 9 3.366 10.157 -4.126 49 HZ3 TRP 9 HZ3 TRP 9 -0.612 8.619 -3.991 50 HH2 TRP 9 HH2 TRP 9 1.192 9.936 -3.004 51 H LYS 10 H LYS 10 1.228 7.068 -11.315 52 HA LYS 10 HA LYS 10 1.909 9.679 -11.967 53 HB2 LYS 10 2HB LYS 10 2.463 7.400 -13.131 54 HB3 LYS 10 3HB LYS 10 1.037 7.758 -14.096 55 HG2 LYS 10 2HG LYS 10 2.238 9.076 -15.401 56 HG3 LYS 10 3HG LYS 10 2.655 10.089 -14.017 57 HD2 LYS 10 2HD LYS 10 4.109 7.552 -14.753 58 HD3 LYS 10 3HD LYS 10 4.621 9.165 -15.255 59 HE2 LYS 10 2HE LYS 10 4.530 9.720 -12.733 60 HE3 LYS 10 3HE LYS 10 4.550 7.972 -12.507 61 HZ1 LYS 10 1HZ LYS 10 6.624 7.847 -13.691 62 HZ2 LYS 10 2HZ LYS 10 6.775 8.964 -12.430 63 HZ3 LYS 10 3HZ LYS 10 6.592 9.506 -14.022 64 H MET 11 H MET 11 -1.101 7.923 -12.545 65 HA MET 11 HA MET 11 -2.337 9.894 -14.145 66 HB2 MET 11 2HB MET 11 -3.356 7.597 -12.505 67 HB3 MET 11 3HB MET 11 -4.480 8.718 -13.261 68 HG2 MET 11 2HG MET 11 -2.389 7.655 -15.027 69 HG3 MET 11 3HG MET 11 -3.547 6.472 -14.423 70 HE1 MET 11 1HE MET 11 -3.503 9.667 -17.252 71 HE2 MET 11 2HE MET 11 -2.487 8.253 -16.973 72 HE3 MET 11 3HE MET 11 -3.830 8.163 -18.114 73 H ALA 12 H ALA 12 -2.173 9.388 -10.669 74 HA ALA 12 HA ALA 12 -4.147 11.237 -9.899 75 HB1 ALA 12 1HB ALA 12 -3.253 11.080 -7.708 76 HB2 ALA 12 2HB ALA 12 -3.066 9.489 -8.447 77 HB3 ALA 12 3HB ALA 12 -1.678 10.568 -8.314 78 H ILE 13 H ILE 13 -0.649 11.607 -10.376 79 HA ILE 13 HA ILE 13 -0.582 14.350 -9.625 80 HB ILE 13 HB ILE 13 1.374 12.785 -11.314 81 HG12 ILE 13 2HG1 ILE 13 1.028 11.860 -9.043 82 HG13 ILE 13 3HG1 ILE 13 2.648 12.515 -9.256 83 HG21 ILE 13 1HG2 ILE 13 1.645 15.446 -9.924 84 HG22 ILE 13 2HG2 ILE 13 2.977 14.549 -10.651 85 HG23 ILE 13 3HG2 ILE 13 1.664 15.152 -11.663 86 HD11 ILE 13 1HD1 ILE 13 2.072 14.481 -8.011 87 HD12 ILE 13 2HD1 ILE 13 0.386 13.972 -7.914 88 HD13 ILE 13 3HD1 ILE 13 1.634 13.054 -7.073 89 H LYS 14 H LYS 14 -0.795 12.665 -12.730 90 HA LYS 14 HA LYS 14 -0.614 14.956 -14.367 91 HB2 LYS 14 2HB LYS 14 -1.684 12.180 -14.773 92 HB3 LYS 14 3HB LYS 14 -1.883 13.403 -16.022 93 HG2 LYS 14 2HG LYS 14 0.618 13.731 -15.923 94 HG3 LYS 14 3HG LYS 14 0.677 12.276 -14.926 95 HD2 LYS 14 2HD LYS 14 0.195 10.902 -16.666 96 HD3 LYS 14 3HD LYS 14 -0.852 12.087 -17.451 97 HE2 LYS 14 2HE LYS 14 1.014 11.867 -18.866 98 HE3 LYS 14 3HE LYS 14 1.268 13.377 -17.991 99 HZ1 LYS 14 1HZ LYS 14 3.175 12.599 -17.221 100 HZ2 LYS 14 2HZ LYS 14 2.976 11.192 -18.139 101 HZ3 LYS 14 3HZ LYS 14 2.412 11.248 -16.545 102 H ARG 15 H ARG 15 -3.316 13.361 -12.782 103 HA ARG 15 HA ARG 15 -5.383 14.760 -14.110 104 HB2 ARG 15 2HB ARG 15 -5.137 12.960 -11.817 105 HB3 ARG 15 3HB ARG 15 -6.404 14.163 -11.617 106 HG2 ARG 15 2HG ARG 15 -7.351 12.189 -12.581 107 HG3 ARG 15 3HG ARG 15 -7.345 13.466 -13.799 108 HD2 ARG 15 2HD ARG 15 -4.968 12.333 -14.319 109 HD3 ARG 15 3HD ARG 15 -5.830 10.930 -13.689 110 HE ARG 15 HE ARG 15 -6.206 12.161 -16.222 111 HH11 ARG 15 1HH1 ARG 15 -7.896 10.528 -13.653 112 HH12 ARG 15 2HH1 ARG 15 -9.153 9.930 -14.685 113 HH21 ARG 15 1HH2 ARG 15 -7.855 11.379 -17.590 114 HH22 ARG 15 2HH2 ARG 15 -9.128 10.413 -16.924 115 H CYS 16 H CYS 16 -4.058 15.223 -10.827 116 HA CYS 16 HA CYS 16 -5.426 17.611 -10.296 117 HB2 CYS 16 2HB CYS 16 -3.961 17.870 -8.419 118 HB3 CYS 16 3HB CYS 16 -4.272 16.149 -8.607 119 HG CYS 16 HG CYS 16 -1.485 17.206 -7.984 120 H SER 17 H SER 17 -2.618 16.966 -12.188 121 HA SER 17 HA SER 17 -1.271 19.392 -12.102 122 HB2 SER 17 2HB SER 17 -0.475 17.329 -13.268 123 HB3 SER 17 3HB SER 17 -1.636 17.656 -14.554 124 HG SER 17 HG SER 17 0.194 19.644 -13.785 125 H ASN 18 H ASN 18 -4.288 18.573 -13.595 126 HA ASN 18 HA ASN 18 -4.348 21.075 -15.106 127 HB2 ASN 18 2HB ASN 18 -5.406 18.507 -15.563 128 HB3 ASN 18 3HB ASN 18 -6.793 19.550 -15.261 129 HD21 ASN 18 1HD2 ASN 18 -6.138 21.892 -16.338 130 HD22 ASN 18 2HD2 ASN 18 -5.848 21.742 -18.035 131 H VAL 19 H VAL 19 -4.460 20.972 -12.157 132 HA VAL 19 HA VAL 19 -7.128 22.162 -11.751 133 HB VAL 19 HB VAL 19 -5.327 20.876 -9.693 134 HG11 VAL 19 1HG1 VAL 19 -7.420 21.130 -8.263 135 HG12 VAL 19 2HG1 VAL 19 -6.482 22.591 -8.577 136 HG13 VAL 19 3HG1 VAL 19 -7.970 22.287 -9.474 137 HG21 VAL 19 1HG2 VAL 19 -6.570 19.397 -11.372 138 HG22 VAL 19 2HG2 VAL 19 -6.792 19.049 -9.657 139 HG23 VAL 19 3HG2 VAL 19 -8.040 19.919 -10.549 140 H ALA 20 H ALA 20 -7.282 24.186 -10.922 141 HA ALA 20 HA ALA 20 -4.855 25.770 -10.859 142 HB1 ALA 20 1HB ALA 20 -7.394 26.298 -11.702 143 HB2 ALA 20 2HB ALA 20 -7.356 27.105 -10.133 144 HB3 ALA 20 3HB ALA 20 -6.163 27.516 -11.366 145 H VAL 21 H VAL 21 -3.775 26.302 -9.081 146 HA VAL 21 HA VAL 21 -4.926 25.646 -6.478 147 HB VAL 21 HB VAL 21 -2.616 26.077 -5.623 148 HG11 VAL 21 1HG1 VAL 21 -3.420 23.959 -7.488 149 HG12 VAL 21 2HG1 VAL 21 -1.680 24.100 -7.231 150 HG13 VAL 21 3HG1 VAL 21 -2.758 23.847 -5.858 151 HG21 VAL 21 1HG2 VAL 21 -2.232 27.469 -7.907 152 HG22 VAL 21 2HG2 VAL 21 -0.925 26.828 -6.911 153 HG23 VAL 21 3HG2 VAL 21 -1.472 25.935 -8.331 154 H GLY 22 H GLY 22 -5.588 28.086 -8.159 155 HA2 GLY 22 2HA GLY 22 -5.239 30.020 -5.972 156 HA3 GLY 22 3HA GLY 22 -4.783 30.489 -7.603 157 H VAL 23 H VAL 23 -6.458 32.179 -6.849 158 HA VAL 23 HA VAL 23 -9.202 31.488 -6.808 159 HB VAL 23 HB VAL 23 -8.325 33.604 -5.878 160 HG11 VAL 23 1HG1 VAL 23 -8.272 34.882 -8.545 161 HG12 VAL 23 2HG1 VAL 23 -7.329 35.236 -7.097 162 HG13 VAL 23 3HG1 VAL 23 -6.895 33.867 -8.120 163 HG21 VAL 23 1HG2 VAL 23 -10.207 34.591 -7.912 164 HG22 VAL 23 2HG2 VAL 23 -10.731 33.158 -7.029 165 HG23 VAL 23 3HG2 VAL 23 -10.313 34.630 -6.152 166 H GLY 24 H GLY 24 -6.950 32.205 -9.377 167 HA2 GLY 24 2HA GLY 24 -9.075 31.591 -11.318 168 HA3 GLY 24 3HA GLY 24 -8.082 33.023 -11.551 169 H GLY 25 H GLY 25 -8.490 30.109 -12.762 170 HA2 GLY 25 2HA GLY 25 -5.814 29.064 -12.742 171 HA3 GLY 25 3HA GLY 25 -7.149 28.497 -13.735 172 H LYS 26 H LYS 26 -4.163 29.776 -13.898 173 HA LYS 26 HA LYS 26 -4.557 30.628 -16.642 174 HB2 LYS 26 2HB LYS 26 -4.339 32.535 -14.552 175 HB3 LYS 26 3HB LYS 26 -2.825 32.569 -15.447 176 HG2 LYS 26 2HG LYS 26 -4.873 32.496 -17.367 177 HG3 LYS 26 3HG LYS 26 -5.367 33.672 -16.147 178 HD2 LYS 26 2HD LYS 26 -4.089 35.070 -17.379 179 HD3 LYS 26 3HD LYS 26 -2.778 34.356 -16.437 180 HE2 LYS 26 2HE LYS 26 -1.927 33.281 -18.217 181 HE3 LYS 26 3HE LYS 26 -3.519 32.830 -18.826 182 HZ1 LYS 26 1HZ LYS 26 -1.825 34.929 -19.671 183 HZ2 LYS 26 2HZ LYS 26 -3.303 35.568 -19.154 184 HZ3 LYS 26 3HZ LYS 26 -3.270 34.386 -20.363 185 H SER 27 H SER 27 -2.005 30.936 -14.168 186 HA SER 27 HA SER 27 -0.356 29.049 -15.674 187 HB2 SER 27 2HB SER 27 0.534 31.842 -14.919 188 HB3 SER 27 3HB SER 27 1.601 30.580 -15.534 189 HG SER 27 HG SER 27 -0.286 32.120 -16.859 190 H LYS 28 H LYS 28 -1.691 28.628 -13.263 191 HA LYS 28 HA LYS 28 0.572 28.045 -11.535 192 HB2 LYS 28 2HB LYS 28 -1.737 29.799 -10.722 193 HB3 LYS 28 3HB LYS 28 -0.801 28.897 -9.536 194 HG2 LYS 28 2HG LYS 28 1.232 30.047 -10.279 195 HG3 LYS 28 3HG LYS 28 0.274 30.968 -11.441 196 HD2 LYS 28 2HD LYS 28 -1.052 31.315 -9.026 197 HD3 LYS 28 3HD LYS 28 0.659 31.398 -8.600 198 HE2 LYS 28 2HE LYS 28 0.116 33.602 -9.121 199 HE3 LYS 28 3HE LYS 28 0.862 33.000 -10.601 200 HZ1 LYS 28 1HZ LYS 28 -1.705 32.411 -11.034 201 HZ2 LYS 28 2HZ LYS 28 -0.972 33.848 -11.542 202 HZ3 LYS 28 3HZ LYS 28 -1.872 33.818 -10.110 203 H LYS 29 H LYS 29 -0.279 26.005 -12.645 204 HA LYS 29 HA LYS 29 -2.668 24.893 -11.413 205 HB2 LYS 29 2HB LYS 29 -2.480 23.109 -12.967 206 HB3 LYS 29 3HB LYS 29 -2.084 24.575 -13.854 207 HG2 LYS 29 2HG LYS 29 0.375 23.911 -13.159 208 HG3 LYS 29 3HG LYS 29 -0.346 22.302 -13.065 209 HD2 LYS 29 2HD LYS 29 0.460 22.483 -15.266 210 HD3 LYS 29 3HD LYS 29 -1.278 22.764 -15.393 211 HE2 LYS 29 2HE LYS 29 -0.908 24.750 -16.314 212 HE3 LYS 29 3HE LYS 29 0.020 25.254 -14.902 213 HZ1 LYS 29 1HZ LYS 29 1.138 23.705 -17.175 214 HZ2 LYS 29 2HZ LYS 29 1.999 24.351 -15.871 215 HZ3 LYS 29 3HZ LYS 29 1.278 25.382 -17.001 216 H PHE 30 H PHE 30 -2.315 22.381 -10.904 217 HA PHE 30 HA PHE 30 -0.603 22.345 -8.600 218 HB2 PHE 30 2HB PHE 30 -2.920 21.002 -9.373 219 HB3 PHE 30 3HB PHE 30 -1.679 19.753 -9.358 220 HD1 PHE 30 HD1 PHE 30 -0.231 19.577 -7.242 221 HD2 PHE 30 HD2 PHE 30 -3.938 21.662 -7.402 222 HE1 PHE 30 HE1 PHE 30 -0.422 19.416 -4.795 223 HE2 PHE 30 HE2 PHE 30 -4.135 21.505 -4.954 224 HZ PHE 30 HZ PHE 30 -2.376 20.382 -3.647 225 H GLY 31 H GLY 31 1.173 21.002 -8.217 226 HA2 GLY 31 2HA GLY 31 2.317 19.676 -10.591 227 HA3 GLY 31 3HA GLY 31 3.290 20.781 -9.631 228 H GLU 32 H GLU 32 4.213 18.268 -10.005 229 HA GLU 32 HA GLU 32 3.407 16.401 -8.036 230 HB2 GLU 32 2HB GLU 32 5.565 15.279 -8.544 231 HB3 GLU 32 3HB GLU 32 4.618 15.650 -9.979 232 HG2 GLU 32 2HG GLU 32 6.143 17.864 -9.827 233 HG3 GLU 32 3HG GLU 32 7.234 16.676 -9.116 234 H GLY 33 H GLY 33 5.993 18.825 -8.138 235 HA2 GLY 33 2HA GLY 33 7.244 18.180 -5.721 236 HA3 GLY 33 3HA GLY 33 7.250 19.771 -6.468 237 H ASN 34 H ASN 34 4.597 20.469 -6.347 238 HA ASN 34 HA ASN 34 4.356 21.407 -3.711 239 HB2 ASN 34 2HB ASN 34 2.205 21.197 -5.830 240 HB3 ASN 34 3HB ASN 34 2.139 22.210 -4.391 241 HD21 ASN 34 1HD2 ASN 34 3.747 23.902 -4.193 242 HD22 ASN 34 2HD2 ASN 34 4.357 24.655 -5.624 243 H PHE 35 H PHE 35 2.712 18.762 -5.407 244 HA PHE 35 HA PHE 35 0.901 18.023 -3.444 245 HB2 PHE 35 2HB PHE 35 0.718 17.005 -5.585 246 HB3 PHE 35 3HB PHE 35 2.364 16.385 -5.511 247 HD1 PHE 35 HD1 PHE 35 -0.736 16.187 -3.437 248 HD2 PHE 35 HD2 PHE 35 2.547 14.129 -5.198 249 HE1 PHE 35 HE1 PHE 35 -1.583 14.064 -2.526 250 HE2 PHE 35 HE2 PHE 35 1.705 12.003 -4.291 251 HZ PHE 35 HZ PHE 35 -0.363 11.968 -2.954 252 H ARG 36 H ARG 36 4.281 17.043 -3.847 253 HA ARG 36 HA ARG 36 4.369 15.178 -1.750 254 HB2 ARG 36 2HB ARG 36 6.682 16.907 -2.620 255 HB3 ARG 36 3HB ARG 36 6.742 15.289 -1.933 256 HG2 ARG 36 2HG ARG 36 5.174 15.090 -4.249 257 HG3 ARG 36 3HG ARG 36 6.564 16.091 -4.673 258 HD2 ARG 36 2HD ARG 36 7.918 14.250 -3.422 259 HD3 ARG 36 3HD ARG 36 6.483 13.265 -3.704 260 HE ARG 36 HE ARG 36 7.413 14.559 -6.078 261 HH11 ARG 36 1HH1 ARG 36 7.886 11.819 -3.984 262 HH12 ARG 36 2HH1 ARG 36 8.576 10.825 -5.224 263 HH21 ARG 36 1HH2 ARG 36 8.321 13.260 -7.719 264 HH22 ARG 36 2HH2 ARG 36 8.824 11.646 -7.348 265 H TRP 37 H TRP 37 5.392 18.594 -1.793 266 HA TRP 37 HA TRP 37 6.142 18.836 0.856 267 HB2 TRP 37 2HB TRP 37 6.618 20.639 -0.618 268 HB3 TRP 37 3HB TRP 37 4.920 20.835 -1.044 269 HD1 TRP 37 HD1 TRP 37 7.503 21.935 1.470 270 HE1 TRP 37 HE1 TRP 37 6.450 23.631 3.095 271 HE3 TRP 37 HE3 TRP 37 2.597 21.398 0.137 272 HZ2 TRP 37 HZ2 TRP 37 3.880 24.611 3.729 273 HZ3 TRP 37 HZ3 TRP 37 0.903 22.751 1.301 274 HH2 TRP 37 HH2 TRP 37 1.533 24.323 3.060 275 H ALA 38 H ALA 38 2.945 18.755 -0.541 276 HA ALA 38 HA ALA 38 1.633 19.629 1.878 277 HB1 ALA 38 1HB ALA 38 0.126 20.177 0.334 278 HB2 ALA 38 2HB ALA 38 0.873 19.128 -0.873 279 HB3 ALA 38 3HB ALA 38 -0.296 18.466 0.269 280 H ILE 39 H ILE 39 1.365 16.618 -0.023 281 HA ILE 39 HA ILE 39 0.079 15.074 1.856 282 HB ILE 39 HB ILE 39 0.518 14.375 -0.482 283 HG12 ILE 39 2HG1 ILE 39 1.590 12.255 1.362 284 HG13 ILE 39 3HG1 ILE 39 -0.076 12.807 1.493 285 HG21 ILE 39 1HG2 ILE 39 3.228 13.462 0.422 286 HG22 ILE 39 2HG2 ILE 39 2.590 13.580 -1.217 287 HG23 ILE 39 3HG2 ILE 39 2.983 15.045 -0.317 288 HD11 ILE 39 1HD1 ILE 39 -0.462 12.160 -0.834 289 HD12 ILE 39 2HD1 ILE 39 1.201 11.581 -0.939 290 HD13 ILE 39 3HD1 ILE 39 0.062 10.799 0.157 291 H ARG 40 H ARG 40 3.487 15.873 1.642 292 HA ARG 40 HA ARG 40 4.314 13.993 3.642 293 HB2 ARG 40 2HB ARG 40 5.770 14.966 1.800 294 HB3 ARG 40 3HB ARG 40 5.819 16.448 2.745 295 HG2 ARG 40 2HG ARG 40 7.118 15.517 4.394 296 HG3 ARG 40 3HG ARG 40 6.586 13.874 4.034 297 HD2 ARG 40 2HD ARG 40 8.150 13.579 2.435 298 HD3 ARG 40 3HD ARG 40 8.025 15.242 1.863 299 HE ARG 40 HE ARG 40 9.259 15.459 4.281 300 HH11 ARG 40 1HH1 ARG 40 9.884 13.660 1.366 301 HH12 ARG 40 2HH1 ARG 40 11.603 13.661 1.579 302 HH21 ARG 40 1HH2 ARG 40 11.521 15.467 4.572 303 HH22 ARG 40 2HH2 ARG 40 12.534 14.689 3.403 304 H MET 41 H MET 41 4.067 17.554 3.597 305 HA MET 41 HA MET 41 4.647 18.008 6.271 306 HB2 MET 41 2HB MET 41 4.511 19.805 4.625 307 HB3 MET 41 3HB MET 41 2.778 19.552 4.464 308 HG2 MET 41 2HG MET 41 2.415 20.986 6.100 309 HG3 MET 41 3HG MET 41 3.329 19.962 7.206 310 HE1 MET 41 1HE MET 41 5.263 22.814 8.422 311 HE2 MET 41 2HE MET 41 3.976 21.631 8.657 312 HE3 MET 41 3HE MET 41 5.641 21.091 8.432 313 H ALA 42 H ALA 42 1.606 17.112 4.745 314 HA ALA 42 HA ALA 42 0.007 17.475 7.082 315 HB1 ALA 42 1HB ALA 42 -1.230 17.576 5.131 316 HB2 ALA 42 2HB ALA 42 -0.421 16.179 4.421 317 HB3 ALA 42 3HB ALA 42 -1.593 15.954 5.719 318 H ASN 43 H ASN 43 1.611 14.705 5.573 319 HA ASN 43 HA ASN 43 0.559 12.715 7.258 320 HB2 ASN 43 2HB ASN 43 2.684 12.929 5.266 321 HB3 ASN 43 3HB ASN 43 3.083 11.808 6.565 322 HD21 ASN 43 1HD2 ASN 43 3.000 10.251 4.788 323 HD22 ASN 43 2HD2 ASN 43 1.475 9.556 4.369 324 H VAL 44 H VAL 44 3.723 14.359 7.390 325 HA VAL 44 HA VAL 44 4.561 13.223 9.814 326 HB VAL 44 HB VAL 44 5.329 15.905 8.653 327 HG11 VAL 44 1HG1 VAL 44 7.446 15.472 9.971 328 HG12 VAL 44 2HG1 VAL 44 6.014 15.887 10.916 329 HG13 VAL 44 3HG1 VAL 44 6.551 14.210 10.817 330 HG21 VAL 44 1HG2 VAL 44 6.184 13.112 8.096 331 HG22 VAL 44 2HG2 VAL 44 5.997 14.478 6.996 332 HG23 VAL 44 3HG2 VAL 44 7.406 14.384 8.052 333 H SER 45 H SER 45 2.655 16.097 9.116 334 HA SER 45 HA SER 45 2.699 17.222 11.696 335 HB2 SER 45 2HB SER 45 0.911 17.495 9.310 336 HB3 SER 45 3HB SER 45 0.408 18.203 10.845 337 HG SER 45 HG SER 45 2.049 19.595 10.766 338 H THR 46 H THR 46 0.941 14.570 10.343 339 HA THR 46 HA THR 46 -0.915 14.488 12.602 340 HB THR 46 HB THR 46 -2.046 12.683 11.407 341 HG1 THR 46 HG1 THR 46 -1.187 12.346 9.153 342 HG21 THR 46 1HG2 THR 46 -3.122 14.426 10.505 343 HG22 THR 46 2HG2 THR 46 -2.110 14.182 9.081 344 HG23 THR 46 3HG2 THR 46 -1.629 15.346 10.315 345 H GLY 47 H GLY 47 2.018 13.904 12.789 346 HA2 GLY 47 2HA GLY 47 3.410 12.385 13.804 347 HA3 GLY 47 3HA GLY 47 1.969 11.876 14.671 348 H ARG 48 H ARG 48 2.153 11.619 11.206 349 HA ARG 48 HA ARG 48 2.038 8.706 11.467 350 HB2 ARG 48 2HB ARG 48 0.819 10.642 9.715 351 HB3 ARG 48 3HB ARG 48 1.692 9.441 8.772 352 HG2 ARG 48 2HG ARG 48 0.100 7.938 9.099 353 HG3 ARG 48 3HG ARG 48 0.170 8.165 10.848 354 HD2 ARG 48 2HD ARG 48 -1.159 10.304 9.310 355 HD3 ARG 48 3HD ARG 48 -1.987 8.748 9.346 356 HE ARG 48 HE ARG 48 -1.641 10.585 11.538 357 HH11 ARG 48 1HH1 ARG 48 -2.280 7.291 10.611 358 HH12 ARG 48 2HH1 ARG 48 -3.073 6.889 12.098 359 HH21 ARG 48 1HH2 ARG 48 -2.683 10.068 13.500 360 HH22 ARG 48 2HH2 ARG 48 -3.302 8.470 13.740 361 H GLU 49 H GLU 49 3.457 7.331 10.441 362 HA GLU 49 HA GLU 49 6.110 8.048 10.214 363 HB2 GLU 49 2HB GLU 49 6.299 5.937 8.771 364 HB3 GLU 49 3HB GLU 49 5.669 5.753 10.402 365 HG2 GLU 49 2HG GLU 49 3.432 5.573 9.596 366 HG3 GLU 49 3HG GLU 49 3.931 6.003 7.961 367 HA PRO 50 HA PRO 50 6.679 10.070 6.363 368 HB2 PRO 50 2HB PRO 50 9.104 9.120 5.595 369 HB3 PRO 50 3HB PRO 50 8.899 10.270 6.921 370 HG2 PRO 50 2HG PRO 50 9.275 7.302 7.028 371 HG3 PRO 50 3HG PRO 50 10.014 8.560 8.035 372 HD2 PRO 50 2HD PRO 50 7.912 7.073 8.872 373 HD3 PRO 50 3HD PRO 50 8.151 8.758 9.377 374 H GLY 51 H GLY 51 7.130 6.569 6.393 375 HA2 GLY 51 2HA GLY 51 6.806 6.388 3.509 376 HA3 GLY 51 3HA GLY 51 7.081 5.050 4.615 377 H ASP 52 H ASP 52 4.565 7.565 4.478 378 HA ASP 52 HA ASP 52 2.558 5.417 4.588 379 HB2 ASP 52 2HB ASP 52 2.773 8.058 5.841 380 HB3 ASP 52 3HB ASP 52 1.198 7.751 5.114 381 H ILE 53 H ILE 53 2.646 5.048 2.313 382 HA ILE 53 HA ILE 53 1.436 7.198 0.701 383 HB ILE 53 HB ILE 53 3.024 4.853 -0.339 384 HG12 ILE 53 2HG1 ILE 53 4.455 6.319 1.016 385 HG13 ILE 53 3HG1 ILE 53 4.858 6.446 -0.693 386 HG21 ILE 53 1HG2 ILE 53 3.153 6.399 -2.364 387 HG22 ILE 53 2HG2 ILE 53 1.607 5.615 -2.044 388 HG23 ILE 53 3HG2 ILE 53 1.845 7.306 -1.605 389 HD11 ILE 53 1HD1 ILE 53 3.090 8.396 0.758 390 HD12 ILE 53 2HD1 ILE 53 4.827 8.607 0.533 391 HD13 ILE 53 3HD1 ILE 53 3.756 8.550 -0.867 392 HA PRO 54 HA PRO 54 -1.730 3.822 1.086 393 HB2 PRO 54 2HB PRO 54 -3.811 5.508 1.528 394 HB3 PRO 54 3HB PRO 54 -2.775 4.901 2.825 395 HG2 PRO 54 2HG PRO 54 -2.691 7.539 1.412 396 HG3 PRO 54 3HG PRO 54 -2.521 7.191 3.142 397 HD2 PRO 54 2HD PRO 54 -0.394 7.671 1.537 398 HD3 PRO 54 3HD PRO 54 -0.311 6.573 2.929 399 H GLU 55 H GLU 55 -4.097 4.063 0.001 400 HA GLU 55 HA GLU 55 -4.269 5.652 -2.343 401 HB2 GLU 55 2HB GLU 55 -2.505 3.774 -2.834 402 HB3 GLU 55 3HB GLU 55 -3.926 2.752 -3.006 403 HG2 GLU 55 2HG GLU 55 -4.791 4.399 -4.683 404 HG3 GLU 55 3HG GLU 55 -3.220 5.194 -4.608 405 H THR 56 H THR 56 -6.059 5.404 -0.391 406 HA THR 56 HA THR 56 -8.281 4.061 -1.724 407 HB THR 56 HB THR 56 -9.065 2.910 0.206 408 HG1 THR 56 HG1 THR 56 -8.071 3.126 2.221 409 HG21 THR 56 1HG2 THR 56 -6.102 2.393 0.261 410 HG22 THR 56 2HG2 THR 56 -7.112 1.917 -1.104 411 HG23 THR 56 3HG2 THR 56 -7.421 1.247 0.498 412 H LEU 57 H LEU 57 -10.198 5.117 -1.524 413 HA LEU 57 HA LEU 57 -10.283 7.798 -0.879 414 HB2 LEU 57 2HB LEU 57 -11.993 6.118 -2.051 415 HB3 LEU 57 3HB LEU 57 -12.767 6.234 -0.472 416 HG LEU 57 HG LEU 57 -13.789 7.795 -1.997 417 HD11 LEU 57 1HD1 LEU 57 -13.070 8.386 0.482 418 HD12 LEU 57 2HD1 LEU 57 -13.876 9.557 -0.562 419 HD13 LEU 57 3HD1 LEU 57 -12.126 9.620 -0.353 420 HD21 LEU 57 1HD2 LEU 57 -12.498 9.637 -2.987 421 HD22 LEU 57 2HD2 LEU 57 -11.972 8.062 -3.580 422 HD23 LEU 57 3HD2 LEU 57 -11.013 8.914 -2.369 423 H ASP 58 H ASP 58 -10.791 5.014 1.181 424 HA ASP 58 HA ASP 58 -11.915 6.396 3.384 425 HB2 ASP 58 2HB ASP 58 -10.348 3.807 3.361 426 HB3 ASP 58 3HB ASP 58 -11.374 4.381 4.673 427 H GLN 59 H GLN 59 -8.610 5.633 2.435 428 HA GLN 59 HA GLN 59 -7.389 6.488 4.849 429 HB2 GLN 59 2HB GLN 59 -6.527 5.585 2.211 430 HB3 GLN 59 3HB GLN 59 -5.479 6.831 2.877 431 HG2 GLN 59 2HG GLN 59 -4.442 5.155 3.909 432 HG3 GLN 59 3HG GLN 59 -5.815 5.169 5.015 433 HE21 GLN 59 1HE2 GLN 59 -4.668 3.750 1.990 434 HE22 GLN 59 2HE2 GLN 59 -5.479 2.237 2.185 435 H LEU 60 H LEU 60 -7.884 8.073 1.708 436 HA LEU 60 HA LEU 60 -6.614 10.491 2.321 437 HB2 LEU 60 2HB LEU 60 -8.702 9.660 0.359 438 HB3 LEU 60 3HB LEU 60 -8.343 11.374 0.561 439 HG LEU 60 HG LEU 60 -7.149 10.373 -1.340 440 HD11 LEU 60 1HD1 LEU 60 -5.201 11.530 -0.984 441 HD12 LEU 60 2HD1 LEU 60 -5.049 10.981 0.684 442 HD13 LEU 60 3HD1 LEU 60 -6.231 12.221 0.269 443 HD21 LEU 60 1HD2 LEU 60 -5.337 8.785 -0.941 444 HD22 LEU 60 2HD2 LEU 60 -6.896 8.111 -0.464 445 HD23 LEU 60 3HD2 LEU 60 -5.778 8.704 0.765 446 H ARG 61 H ARG 61 -10.068 9.636 2.497 447 HA ARG 61 HA ARG 61 -11.016 12.061 3.473 448 HB2 ARG 61 2HB ARG 61 -12.511 10.314 2.684 449 HB3 ARG 61 3HB ARG 61 -12.027 9.264 4.009 450 HG2 ARG 61 2HG ARG 61 -12.959 11.751 5.065 451 HG3 ARG 61 3HG ARG 61 -14.151 11.099 3.937 452 HD2 ARG 61 2HD ARG 61 -13.600 8.860 5.255 453 HD3 ARG 61 3HD ARG 61 -13.175 10.011 6.522 454 HE ARG 61 HE ARG 61 -15.400 10.367 6.847 455 HH11 ARG 61 1HH1 ARG 61 -14.945 9.104 3.635 456 HH12 ARG 61 2HH1 ARG 61 -16.641 9.003 3.294 457 HH21 ARG 61 1HH2 ARG 61 -17.635 10.239 6.410 458 HH22 ARG 61 2HH2 ARG 61 -18.170 9.650 4.873 459 H LEU 62 H LEU 62 -9.700 9.278 5.211 460 HA LEU 62 HA LEU 62 -10.238 10.226 7.815 461 HB2 LEU 62 2HB LEU 62 -9.490 7.878 6.939 462 HB3 LEU 62 3HB LEU 62 -7.868 8.511 7.216 463 HG LEU 62 HG LEU 62 -8.652 7.146 9.089 464 HD11 LEU 62 1HD1 LEU 62 -7.303 9.447 9.241 465 HD12 LEU 62 2HD1 LEU 62 -7.694 8.467 10.654 466 HD13 LEU 62 3HD1 LEU 62 -8.690 9.864 10.248 467 HD21 LEU 62 1HD2 LEU 62 -11.101 7.967 8.656 468 HD22 LEU 62 2HD2 LEU 62 -10.661 9.230 9.806 469 HD23 LEU 62 3HD2 LEU 62 -10.575 7.534 10.283 470 H VAL 63 H VAL 63 -7.214 10.254 5.924 471 HA VAL 63 HA VAL 63 -5.622 11.642 7.711 472 HB VAL 63 HB VAL 63 -5.558 11.829 4.696 473 HG11 VAL 63 1HG1 VAL 63 -3.084 12.280 5.186 474 HG12 VAL 63 2HG1 VAL 63 -4.228 13.595 5.464 475 HG13 VAL 63 3HG1 VAL 63 -3.612 12.657 6.826 476 HG21 VAL 63 1HG2 VAL 63 -4.625 9.804 4.636 477 HG22 VAL 63 2HG2 VAL 63 -3.548 10.175 5.983 478 HG23 VAL 63 3HG2 VAL 63 -5.187 9.604 6.296 479 H ILE 64 H ILE 64 -7.859 12.903 5.279 480 HA ILE 64 HA ILE 64 -7.209 15.630 5.609 481 HB ILE 64 HB ILE 64 -9.802 14.393 4.677 482 HG12 ILE 64 2HG1 ILE 64 -7.793 15.658 2.863 483 HG13 ILE 64 3HG1 ILE 64 -7.476 14.033 3.461 484 HG21 ILE 64 1HG2 ILE 64 -10.252 16.637 5.314 485 HG22 ILE 64 2HG2 ILE 64 -8.776 17.219 4.546 486 HG23 ILE 64 3HG2 ILE 64 -10.108 16.621 3.556 487 HD11 ILE 64 1HD1 ILE 64 -9.875 14.928 1.884 488 HD12 ILE 64 2HD1 ILE 64 -8.545 13.919 1.314 489 HD13 ILE 64 3HD1 ILE 64 -9.646 13.311 2.550 490 H CYS 65 H CYS 65 -9.497 13.505 7.233 491 HA CYS 65 HA CYS 65 -10.922 15.483 8.641 492 HB2 CYS 65 2HB CYS 65 -10.558 12.544 8.868 493 HB3 CYS 65 3HB CYS 65 -11.143 13.381 10.301 494 HG CYS 65 HG CYS 65 -13.455 14.315 9.201 495 H ASP 66 H ASP 66 -8.184 13.443 9.652 496 HA ASP 66 HA ASP 66 -7.875 14.504 12.216 497 HB2 ASP 66 2HB ASP 66 -5.567 13.557 10.525 498 HB3 ASP 66 3HB ASP 66 -5.765 13.434 12.271 499 H LEU 67 H LEU 67 -6.488 15.527 9.127 500 HA LEU 67 HA LEU 67 -4.779 17.515 10.149 501 HB2 LEU 67 2HB LEU 67 -5.301 16.453 7.681 502 HB3 LEU 67 3HB LEU 67 -5.956 18.082 7.530 503 HG LEU 67 HG LEU 67 -3.115 17.350 8.235 504 HD11 LEU 67 1HD1 LEU 67 -3.361 17.000 5.940 505 HD12 LEU 67 2HD1 LEU 67 -2.731 18.642 6.060 506 HD13 LEU 67 3HD1 LEU 67 -4.447 18.377 5.752 507 HD21 LEU 67 1HD2 LEU 67 -3.299 19.321 9.358 508 HD22 LEU 67 2HD2 LEU 67 -4.631 19.898 8.358 509 HD23 LEU 67 3HD2 LEU 67 -2.978 19.953 7.743 510 H GLN 68 H GLN 68 -8.184 17.524 9.323 511 HA GLN 68 HA GLN 68 -8.571 20.322 9.351 512 HB2 GLN 68 2HB GLN 68 -10.178 18.713 8.374 513 HB3 GLN 68 3HB GLN 68 -10.564 18.141 9.991 514 HG2 GLN 68 2HG GLN 68 -12.051 19.752 10.262 515 HG3 GLN 68 3HG GLN 68 -10.849 20.985 9.883 516 HE21 GLN 68 1HE2 GLN 68 -10.306 20.938 7.404 517 HE22 GLN 68 2HE2 GLN 68 -11.692 21.001 6.375 518 H GLU 69 H GLU 69 -9.055 17.847 11.859 519 HA GLU 69 HA GLU 69 -9.971 19.535 13.882 520 HB2 GLU 69 2HB GLU 69 -8.858 16.825 13.710 521 HB3 GLU 69 3HB GLU 69 -8.564 17.618 15.252 522 HG2 GLU 69 2HG GLU 69 -11.310 17.682 14.115 523 HG3 GLU 69 3HG GLU 69 -10.722 16.188 14.842 524 H ARG 70 H ARG 70 -6.654 18.467 13.168 525 HA ARG 70 HA ARG 70 -5.457 19.991 15.242 526 HB2 ARG 70 2HB ARG 70 -4.453 17.981 14.084 527 HB3 ARG 70 3HB ARG 70 -4.119 19.030 12.713 528 HG2 ARG 70 2HG ARG 70 -2.662 20.399 14.055 529 HG3 ARG 70 3HG ARG 70 -3.076 19.476 15.501 530 HD2 ARG 70 2HD ARG 70 -2.251 17.488 13.876 531 HD3 ARG 70 3HD ARG 70 -1.256 18.814 13.278 532 HE ARG 70 HE ARG 70 -0.006 18.641 15.172 533 HH11 ARG 70 1HH1 ARG 70 -3.132 17.235 15.782 534 HH12 ARG 70 2HH1 ARG 70 -2.718 16.684 17.372 535 HH21 ARG 70 1HH2 ARG 70 0.550 17.922 17.264 536 HH22 ARG 70 2HH2 ARG 70 -0.624 17.077 18.214 537 H ARG 71 H ARG 71 -6.356 20.672 11.946 538 HA ARG 71 HA ARG 71 -4.760 22.945 11.507 539 HB2 ARG 71 2HB ARG 71 -5.839 21.919 9.639 540 HB3 ARG 71 3HB ARG 71 -7.426 22.108 10.373 541 HG2 ARG 71 2HG ARG 71 -6.141 24.663 10.108 542 HG3 ARG 71 3HG ARG 71 -6.171 23.819 8.559 543 HD2 ARG 71 2HD ARG 71 -8.669 23.696 10.105 544 HD3 ARG 71 3HD ARG 71 -8.216 25.304 9.543 545 HE ARG 71 HE ARG 71 -9.177 23.136 7.952 546 HH11 ARG 71 1HH1 ARG 71 -7.140 25.959 7.927 547 HH12 ARG 71 2HH1 ARG 71 -7.292 26.214 6.220 548 HH21 ARG 71 1HH2 ARG 71 -9.384 23.461 5.703 549 HH22 ARG 71 2HH2 ARG 71 -8.569 24.793 4.956 550 H GLU 72 H GLU 72 -7.956 22.554 12.961 551 HA GLU 72 HA GLU 72 -8.416 25.359 13.269 552 HB2 GLU 72 2HB GLU 72 -9.768 22.857 14.164 553 HB3 GLU 72 3HB GLU 72 -10.149 24.350 15.011 554 HG2 GLU 72 2HG GLU 72 -10.327 25.078 12.369 555 HG3 GLU 72 3HG GLU 72 -10.965 23.435 12.377 556 H LYS 73 H LYS 73 -7.608 22.753 15.561 557 HA LYS 73 HA LYS 73 -7.377 24.287 17.858 558 HB2 LYS 73 2HB LYS 73 -7.057 21.659 17.289 559 HB3 LYS 73 3HB LYS 73 -5.380 22.128 17.541 560 HG2 LYS 73 2HG LYS 73 -6.381 23.246 19.709 561 HG3 LYS 73 3HG LYS 73 -7.637 22.029 19.467 562 HD2 LYS 73 2HD LYS 73 -5.516 20.460 19.155 563 HD3 LYS 73 3HD LYS 73 -4.770 21.697 20.170 564 HE2 LYS 73 2HE LYS 73 -7.016 21.321 21.558 565 HE3 LYS 73 3HE LYS 73 -6.895 19.730 20.808 566 HZ1 LYS 73 1HZ LYS 73 -5.785 19.752 22.937 567 HZ2 LYS 73 2HZ LYS 73 -4.805 21.045 22.459 568 HZ3 LYS 73 3HZ LYS 73 -4.645 19.540 21.705 569 H PHE 74 H PHE 74 -5.217 24.000 15.154 570 HA PHE 74 HA PHE 74 -3.086 25.409 16.574 571 HB2 PHE 74 2HB PHE 74 -2.378 23.520 15.233 572 HB3 PHE 74 3HB PHE 74 -3.184 24.179 13.813 573 HD1 PHE 74 HD1 PHE 74 -1.998 25.484 12.319 574 HD2 PHE 74 HD2 PHE 74 -0.507 24.967 16.273 575 HE1 PHE 74 HE1 PHE 74 0.071 26.659 11.690 576 HE2 PHE 74 HE2 PHE 74 1.563 26.142 15.650 577 HZ PHE 74 HZ PHE 74 1.853 26.991 13.356 578 H GLY 75 H GLY 75 -5.600 25.942 14.263 579 HA2 GLY 75 2HA GLY 75 -6.395 28.190 13.908 580 HA3 GLY 75 3HA GLY 75 -4.734 28.750 14.046 581 H SER 76 H SER 76 -6.227 29.608 11.951 582 HA SER 76 HA SER 76 -5.848 27.938 9.641 583 HB2 SER 76 2HB SER 76 -6.797 29.789 8.383 584 HB3 SER 76 3HB SER 76 -7.749 29.532 9.845 585 HG SER 76 HG SER 76 -7.034 31.781 9.230 586 H SER 77 H SER 77 -4.153 27.872 8.313 587 HA SER 77 HA SER 77 -2.290 30.113 8.197 588 HB2 SER 77 2HB SER 77 -0.585 29.112 9.261 589 HB3 SER 77 3HB SER 77 -1.739 27.896 9.808 590 HG SER 77 HG SER 77 0.298 27.636 8.074 591 H LYS 78 H LYS 78 -1.013 30.160 6.319 592 HA LYS 78 HA LYS 78 -2.224 29.123 4.004 593 HB2 LYS 78 2HB LYS 78 0.006 30.840 4.650 594 HB3 LYS 78 3HB LYS 78 0.437 29.743 3.344 595 HG2 LYS 78 2HG LYS 78 -1.174 30.595 1.920 596 HG3 LYS 78 3HG LYS 78 -2.133 31.264 3.242 597 HD2 LYS 78 2HD LYS 78 0.554 32.379 3.117 598 HD3 LYS 78 3HD LYS 78 -0.373 32.660 1.641 599 HE2 LYS 78 2HE LYS 78 -1.363 33.276 4.422 600 HE3 LYS 78 3HE LYS 78 -0.608 34.456 3.352 601 HZ1 LYS 78 1HZ LYS 78 -2.778 34.814 2.852 602 HZ2 LYS 78 2HZ LYS 78 -3.255 33.227 3.191 603 HZ3 LYS 78 3HZ LYS 78 -2.472 33.581 1.734 604 H GLU 79 H GLU 79 0.316 27.908 6.058 605 HA GLU 79 HA GLU 79 1.266 25.940 4.207 606 HB2 GLU 79 2HB GLU 79 1.769 26.631 7.053 607 HB3 GLU 79 3HB GLU 79 2.139 24.987 6.552 608 HG2 GLU 79 2HG GLU 79 4.057 25.667 5.700 609 HG3 GLU 79 3HG GLU 79 3.200 26.748 4.602 610 H ILE 80 H ILE 80 -0.745 25.804 7.141 611 HA ILE 80 HA ILE 80 -1.309 23.037 6.942 612 HB ILE 80 HB ILE 80 -1.559 24.401 9.025 613 HG12 ILE 80 2HG1 ILE 80 -4.094 23.358 9.297 614 HG13 ILE 80 3HG1 ILE 80 -3.435 22.411 7.967 615 HG21 ILE 80 1HG2 ILE 80 -4.076 25.358 7.668 616 HG22 ILE 80 2HG2 ILE 80 -3.647 25.646 9.353 617 HG23 ILE 80 3HG2 ILE 80 -2.665 26.340 8.063 618 HD11 ILE 80 1HD1 ILE 80 -3.097 21.387 10.188 619 HD12 ILE 80 2HD1 ILE 80 -1.592 21.697 9.323 620 HD13 ILE 80 3HD1 ILE 80 -2.092 22.764 10.635 621 H ASP 81 H ASP 81 -2.778 25.889 5.569 622 HA ASP 81 HA ASP 81 -5.234 24.687 4.798 623 HB2 ASP 81 2HB ASP 81 -5.043 27.103 4.964 624 HB3 ASP 81 3HB ASP 81 -3.799 27.120 3.717 625 H MET 82 H MET 82 -2.306 25.498 2.930 626 HA MET 82 HA MET 82 -3.095 24.387 0.506 627 HB2 MET 82 2HB MET 82 -0.423 24.897 1.765 628 HB3 MET 82 3HB MET 82 -0.520 24.053 0.225 629 HG2 MET 82 2HG MET 82 -1.978 26.624 0.534 630 HG3 MET 82 3HG MET 82 -0.226 26.656 0.347 631 HE1 MET 82 1HE MET 82 1.051 25.630 -1.499 632 HE2 MET 82 2HE MET 82 0.496 25.728 -3.170 633 HE3 MET 82 3HE MET 82 0.606 27.191 -2.190 634 H ALA 83 H ALA 83 -1.444 22.883 3.253 635 HA ALA 83 HA ALA 83 -0.924 20.390 2.106 636 HB1 ALA 83 1HB ALA 83 -1.670 20.525 4.980 637 HB2 ALA 83 2HB ALA 83 -0.319 19.703 4.198 638 HB3 ALA 83 3HB ALA 83 -0.271 21.450 4.433 639 H ILE 84 H ILE 84 -3.723 21.440 4.042 640 HA ILE 84 HA ILE 84 -5.125 19.006 3.905 641 HB ILE 84 HB ILE 84 -6.224 21.800 4.235 642 HG12 ILE 84 2HG1 ILE 84 -5.843 19.804 6.441 643 HG13 ILE 84 3HG1 ILE 84 -4.482 20.782 5.901 644 HG21 ILE 84 1HG2 ILE 84 -8.000 20.341 3.575 645 HG22 ILE 84 2HG2 ILE 84 -7.474 19.102 4.714 646 HG23 ILE 84 3HG2 ILE 84 -8.143 20.621 5.310 647 HD11 ILE 84 1HD1 ILE 84 -5.364 21.960 7.697 648 HD12 ILE 84 2HD1 ILE 84 -6.025 22.786 6.286 649 HD13 ILE 84 3HD1 ILE 84 -7.029 21.660 7.199 650 H VAL 85 H VAL 85 -5.605 22.008 2.036 651 HA VAL 85 HA VAL 85 -7.602 21.147 0.339 652 HB VAL 85 HB VAL 85 -5.315 22.963 -0.438 653 HG11 VAL 85 1HG1 VAL 85 -6.930 23.938 -1.999 654 HG12 VAL 85 2HG1 VAL 85 -6.661 22.226 -2.334 655 HG13 VAL 85 3HG1 VAL 85 -8.129 22.743 -1.504 656 HG21 VAL 85 1HG2 VAL 85 -6.087 24.459 1.008 657 HG22 VAL 85 2HG2 VAL 85 -7.683 24.380 0.261 658 HG23 VAL 85 3HG2 VAL 85 -7.273 23.287 1.584 659 H THR 86 H THR 86 -4.194 20.412 0.269 660 HA THR 86 HA THR 86 -4.105 19.405 -2.390 661 HB THR 86 HB THR 86 -2.287 18.901 -0.030 662 HG1 THR 86 HG1 THR 86 -0.976 20.268 -1.697 663 HG21 THR 86 1HG2 THR 86 -1.796 17.075 -1.357 664 HG22 THR 86 2HG2 THR 86 -0.696 18.285 -2.018 665 HG23 THR 86 3HG2 THR 86 -2.206 17.918 -2.850 666 H LEU 87 H LEU 87 -4.205 17.767 0.777 667 HA LEU 87 HA LEU 87 -4.341 15.152 -0.140 668 HB2 LEU 87 2HB LEU 87 -4.877 16.566 2.336 669 HB3 LEU 87 3HB LEU 87 -5.950 15.185 2.117 670 HG LEU 87 HG LEU 87 -3.885 14.719 3.447 671 HD11 LEU 87 1HD1 LEU 87 -3.585 12.573 2.556 672 HD12 LEU 87 2HD1 LEU 87 -3.928 13.112 0.912 673 HD13 LEU 87 3HD1 LEU 87 -5.228 13.025 2.100 674 HD21 LEU 87 1HD2 LEU 87 -1.781 14.430 2.199 675 HD22 LEU 87 2HD2 LEU 87 -2.314 16.111 2.242 676 HD23 LEU 87 3HD2 LEU 87 -2.543 15.150 0.780 677 H LYS 88 H LYS 88 -6.822 17.597 0.047 678 HA LYS 88 HA LYS 88 -9.001 15.774 -0.410 679 HB2 LYS 88 2HB LYS 88 -8.721 18.755 -0.264 680 HB3 LYS 88 3HB LYS 88 -10.190 18.048 -0.922 681 HG2 LYS 88 2HG LYS 88 -10.927 17.385 1.091 682 HG3 LYS 88 3HG LYS 88 -9.316 16.923 1.645 683 HD2 LYS 88 2HD LYS 88 -9.119 18.826 2.779 684 HD3 LYS 88 3HD LYS 88 -9.440 19.767 1.320 685 HE2 LYS 88 2HE LYS 88 -11.822 19.605 1.696 686 HE3 LYS 88 3HE LYS 88 -11.563 18.543 3.079 687 HZ1 LYS 88 1HZ LYS 88 -10.147 21.032 3.280 688 HZ2 LYS 88 2HZ LYS 88 -11.153 20.270 4.405 689 HZ3 LYS 88 3HZ LYS 88 -11.824 21.237 3.190 690 H VAL 89 H VAL 89 -7.811 18.521 -2.356 691 HA VAL 89 HA VAL 89 -9.094 17.918 -4.715 692 HB VAL 89 HB VAL 89 -7.799 19.999 -4.281 693 HG11 VAL 89 1HG1 VAL 89 -5.776 18.692 -3.434 694 HG12 VAL 89 2HG1 VAL 89 -5.356 18.475 -5.134 695 HG13 VAL 89 3HG1 VAL 89 -5.462 20.098 -4.451 696 HG21 VAL 89 1HG2 VAL 89 -8.230 18.659 -6.684 697 HG22 VAL 89 2HG2 VAL 89 -7.900 20.378 -6.473 698 HG23 VAL 89 3HG2 VAL 89 -6.575 19.258 -6.789 699 H PHE 90 H PHE 90 -6.200 16.490 -3.372 700 HA PHE 90 HA PHE 90 -5.462 15.110 -5.780 701 HB2 PHE 90 2HB PHE 90 -3.705 15.651 -4.241 702 HB3 PHE 90 3HB PHE 90 -4.544 14.853 -2.914 703 HD1 PHE 90 HD1 PHE 90 -2.733 14.290 -6.077 704 HD2 PHE 90 HD2 PHE 90 -4.322 12.532 -2.542 705 HE1 PHE 90 HE1 PHE 90 -1.522 12.206 -6.573 706 HE2 PHE 90 HE2 PHE 90 -3.114 10.446 -3.031 707 HZ PHE 90 HZ PHE 90 -1.711 10.281 -5.049 708 H ALA 91 H ALA 91 -7.104 14.262 -2.765 709 HA ALA 91 HA ALA 91 -7.339 11.509 -3.176 710 HB1 ALA 91 1HB ALA 91 -7.823 12.541 -1.035 711 HB2 ALA 91 2HB ALA 91 -9.219 13.369 -1.725 712 HB3 ALA 91 3HB ALA 91 -9.215 11.610 -1.591 713 H VAL 92 H VAL 92 -9.515 14.153 -4.120 714 HA VAL 92 HA VAL 92 -11.427 12.420 -5.351 715 HB VAL 92 HB VAL 92 -12.402 14.498 -6.279 716 HG11 VAL 92 1HG1 VAL 92 -13.361 14.093 -4.252 717 HG12 VAL 92 2HG1 VAL 92 -11.822 14.133 -3.390 718 HG13 VAL 92 3HG1 VAL 92 -12.591 15.638 -3.894 719 HG21 VAL 92 1HG2 VAL 92 -10.839 16.068 -6.730 720 HG22 VAL 92 2HG2 VAL 92 -11.216 16.595 -5.090 721 HG23 VAL 92 3HG2 VAL 92 -9.804 15.581 -5.387 722 H ALA 93 H ALA 93 -8.742 14.403 -6.505 723 HA ALA 93 HA ALA 93 -9.244 13.887 -9.275 724 HB1 ALA 93 1HB ALA 93 -8.063 15.904 -8.451 725 HB2 ALA 93 2HB ALA 93 -6.702 14.879 -7.993 726 HB3 ALA 93 3HB ALA 93 -7.166 15.025 -9.689 727 H GLY 94 H GLY 94 -8.072 11.968 -6.817 728 HA2 GLY 94 2HA GLY 94 -6.524 10.321 -8.722 729 HA3 GLY 94 3HA GLY 94 -6.161 10.413 -7.005 730 H LEU 95 H LEU 95 -7.928 9.667 -5.527 731 HA LEU 95 HA LEU 95 -8.644 7.030 -6.124 732 HB2 LEU 95 2HB LEU 95 -9.597 8.963 -4.031 733 HB3 LEU 95 3HB LEU 95 -10.199 7.309 -4.122 734 HG LEU 95 HG LEU 95 -8.516 7.355 -2.451 735 HD11 LEU 95 1HD1 LEU 95 -6.726 6.275 -4.474 736 HD12 LEU 95 2HD1 LEU 95 -8.386 5.706 -4.648 737 HD13 LEU 95 3HD1 LEU 95 -7.530 5.473 -3.124 738 HD21 LEU 95 1HD2 LEU 95 -7.472 9.483 -3.229 739 HD22 LEU 95 2HD2 LEU 95 -6.619 8.555 -4.462 740 HD23 LEU 95 3HD2 LEU 95 -6.315 8.240 -2.753 741 H LEU 96 H LEU 96 -10.202 10.010 -6.857 742 HA LEU 96 HA LEU 96 -12.627 8.565 -7.695 743 HB2 LEU 96 2HB LEU 96 -12.367 10.837 -6.119 744 HB3 LEU 96 3HB LEU 96 -12.847 11.454 -7.698 745 HG LEU 96 HG LEU 96 -14.822 11.168 -6.406 746 HD11 LEU 96 1HD1 LEU 96 -14.657 8.771 -8.221 747 HD12 LEU 96 2HD1 LEU 96 -14.858 10.427 -8.793 748 HD13 LEU 96 3HD1 LEU 96 -16.095 9.690 -7.774 749 HD21 LEU 96 1HD2 LEU 96 -14.186 8.264 -5.987 750 HD22 LEU 96 2HD2 LEU 96 -15.403 9.256 -5.184 751 HD23 LEU 96 3HD2 LEU 96 -13.691 9.502 -4.832 752 H ASN 97 H ASN 97 -9.835 10.012 -8.820 753 HA ASN 97 HA ASN 97 -9.108 10.749 -10.852 754 HB2 ASN 97 2HB ASN 97 -11.207 8.718 -11.575 755 HB3 ASN 97 3HB ASN 97 -10.298 9.567 -12.822 756 HD21 ASN 97 1HD2 ASN 97 -10.416 6.823 -11.072 757 HD22 ASN 97 2HD2 ASN 97 -8.752 6.361 -11.124 758 H MET 98 H MET 98 -11.176 12.332 -9.543 759 HA MET 98 HA MET 98 -12.604 13.450 -11.854 760 HB2 MET 98 2HB MET 98 -13.083 13.632 -8.887 761 HB3 MET 98 3HB MET 98 -13.871 14.719 -10.023 762 HG2 MET 98 2HG MET 98 -14.063 11.822 -10.582 763 HG3 MET 98 3HG MET 98 -14.962 12.438 -9.198 764 HE1 MET 98 1HE MET 98 -17.035 12.348 -9.444 765 HE2 MET 98 2HE MET 98 -18.060 13.342 -10.480 766 HE3 MET 98 3HE MET 98 -17.583 11.725 -11.001 767 H THR 99 H THR 99 -11.622 15.100 -12.805 768 HA THR 99 HA THR 99 -9.598 16.645 -11.472 769 HB THR 99 HB THR 99 -9.280 16.175 -13.813 770 HG1 THR 99 HG1 THR 99 -8.401 18.130 -13.376 771 HG21 THR 99 1HG2 THR 99 -12.060 16.731 -13.992 772 HG22 THR 99 2HG2 THR 99 -10.982 16.120 -15.248 773 HG23 THR 99 3HG2 THR 99 -11.214 17.857 -15.053 774 H VAL 100 H VAL 100 -9.960 18.355 -10.235 775 HA VAL 100 HA VAL 100 -12.548 19.697 -10.341 776 HB VAL 100 HB VAL 100 -11.555 18.984 -8.155 777 HG11 VAL 100 1HG1 VAL 100 -9.224 19.503 -8.634 778 HG12 VAL 100 2HG1 VAL 100 -9.612 21.223 -8.716 779 HG13 VAL 100 3HG1 VAL 100 -9.771 20.354 -7.189 780 HG21 VAL 100 1HG2 VAL 100 -11.778 21.941 -8.020 781 HG22 VAL 100 2HG2 VAL 100 -13.148 21.043 -8.673 782 HG23 VAL 100 3HG2 VAL 100 -12.565 20.700 -7.044 783 H SER 101 H SER 101 -12.738 21.990 -10.455 784 HA SER 101 HA SER 101 -11.102 23.169 -12.444 785 HB2 SER 101 2HB SER 101 -13.372 24.097 -10.735 786 HB3 SER 101 3HB SER 101 -12.410 25.305 -11.586 787 HG SER 101 HG SER 101 -13.066 24.516 -13.490 788 H THR 102 H THR 102 -11.380 23.682 -8.946 789 HA THR 102 HA THR 102 -8.669 24.774 -8.938 790 HB THR 102 HB THR 102 -9.200 26.715 -7.677 791 HG1 THR 102 HG1 THR 102 -10.860 26.603 -6.380 792 HG21 THR 102 1HG2 THR 102 -9.635 26.840 -10.132 793 HG22 THR 102 2HG2 THR 102 -10.577 27.989 -9.182 794 HG23 THR 102 3HG2 THR 102 -11.337 26.523 -9.800 795 H ALA 103 H ALA 103 -7.628 24.680 -6.886 796 HA ALA 103 HA ALA 103 -8.029 22.373 -5.427 797 HB1 ALA 103 1HB ALA 103 -6.260 23.025 -4.166 798 HB2 ALA 103 2HB ALA 103 -6.082 24.193 -5.476 799 HB3 ALA 103 3HB ALA 103 -6.863 24.671 -3.968 800 H ALA 104 H ALA 104 -9.321 25.604 -4.853 801 HA ALA 104 HA ALA 104 -10.410 25.123 -2.300 802 HB1 ALA 104 1HB ALA 104 -11.972 26.995 -3.859 803 HB2 ALA 104 2HB ALA 104 -10.981 27.270 -2.425 804 HB3 ALA 104 3HB ALA 104 -10.240 27.287 -4.025 805 H ALA 105 H ALA 105 -11.881 24.957 -5.536 806 HA ALA 105 HA ALA 105 -14.460 24.240 -4.745 807 HB1 ALA 105 1HB ALA 105 -12.961 24.344 -7.205 808 HB2 ALA 105 2HB ALA 105 -14.021 22.935 -7.169 809 HB3 ALA 105 3HB ALA 105 -14.691 24.549 -6.933 810 H ALA 106 H ALA 106 -11.553 22.329 -5.070 811 HA ALA 106 HA ALA 106 -12.788 19.775 -5.051 812 HB1 ALA 106 1HB ALA 106 -10.081 20.837 -4.943 813 HB2 ALA 106 2HB ALA 106 -10.289 19.378 -3.974 814 HB3 ALA 106 3HB ALA 106 -10.691 19.361 -5.691 815 H GLU 107 H GLU 107 -11.081 21.558 -2.471 816 HA GLU 107 HA GLU 107 -11.690 19.764 -0.408 817 HB2 GLU 107 2HB GLU 107 -11.159 21.652 1.117 818 HB3 GLU 107 3HB GLU 107 -9.945 21.405 -0.130 819 HG2 GLU 107 2HG GLU 107 -10.859 23.258 -1.411 820 HG3 GLU 107 3HG GLU 107 -12.108 23.496 -0.191 821 H ASN 108 H ASN 108 -13.443 22.548 -1.665 822 HA ASN 108 HA ASN 108 -15.382 22.758 0.348 823 HB2 ASN 108 2HB ASN 108 -14.824 24.234 -1.808 824 HB3 ASN 108 3HB ASN 108 -16.174 23.315 -2.468 825 HD21 ASN 108 1HD2 ASN 108 -18.202 23.400 -1.321 826 HD22 ASN 108 2HD2 ASN 108 -18.613 24.818 -0.423 827 H MET 109 H MET 109 -15.366 20.890 -2.669 828 HA MET 109 HA MET 109 -17.970 19.814 -2.329 829 HB2 MET 109 2HB MET 109 -16.886 19.905 -4.519 830 HB3 MET 109 3HB MET 109 -15.640 18.795 -3.965 831 HG2 MET 109 2HG MET 109 -17.381 17.075 -3.625 832 HG3 MET 109 3HG MET 109 -18.567 18.189 -4.302 833 HE1 MET 109 1HE MET 109 -15.285 15.894 -5.443 834 HE2 MET 109 2HE MET 109 -16.793 15.325 -4.727 835 HE3 MET 109 3HE MET 109 -16.485 15.080 -6.447 836 H TYR 110 H TYR 110 -14.757 18.767 -1.366 837 HA TYR 110 HA TYR 110 -15.327 16.130 -0.655 838 HB2 TYR 110 2HB TYR 110 -13.075 17.542 -0.692 839 HB3 TYR 110 3HB TYR 110 -13.428 17.700 1.025 840 HD1 TYR 110 HD1 TYR 110 -12.630 15.326 -1.672 841 HD2 TYR 110 HD2 TYR 110 -13.219 15.827 2.512 842 HE1 TYR 110 HE1 TYR 110 -11.650 13.105 -1.274 843 HE2 TYR 110 HE2 TYR 110 -12.240 13.608 2.922 844 HH TYR 110 HH TYR 110 -10.835 11.708 0.305 845 H SER 111 H SER 111 -15.529 19.104 1.269 846 HA SER 111 HA SER 111 -16.547 17.690 3.572 847 HB2 SER 111 2HB SER 111 -16.483 20.681 3.141 848 HB3 SER 111 3HB SER 111 -16.556 19.816 4.676 849 HG SER 111 HG SER 111 -14.395 19.590 2.855 850 H GLN 112 H GLN 112 -17.818 19.671 0.966 851 HA GLN 112 HA GLN 112 -20.410 20.052 2.015 852 HB2 GLN 112 2HB GLN 112 -19.510 21.393 0.166 853 HB3 GLN 112 3HB GLN 112 -19.506 19.971 -0.869 854 HG2 GLN 112 2HG GLN 112 -21.598 20.351 -1.458 855 HG3 GLN 112 3HG GLN 112 -22.114 20.307 0.227 856 HE21 GLN 112 1HE2 GLN 112 -22.853 22.007 -2.141 857 HE22 GLN 112 2HE2 GLN 112 -22.709 23.630 -1.566 858 H MET 113 H MET 113 -18.917 17.427 0.259 859 HA MET 113 HA MET 113 -21.372 16.088 -0.367 860 HB2 MET 113 2HB MET 113 -18.473 15.505 -0.645 861 HB3 MET 113 3HB MET 113 -19.561 14.124 -0.600 862 HG2 MET 113 2HG MET 113 -20.689 16.004 -2.371 863 HG3 MET 113 3HG MET 113 -18.975 15.884 -2.760 864 HE1 MET 113 1HE MET 113 -18.355 13.639 -4.747 865 HE2 MET 113 2HE MET 113 -17.741 13.988 -3.131 866 HE3 MET 113 3HE MET 113 -18.284 12.359 -3.535 867 H GLY 114 H GLY 114 -19.450 16.381 2.426 868 HA2 GLY 114 2HA GLY 114 -20.236 15.625 4.545 869 HA3 GLY 114 3HA GLY 114 -21.058 14.301 3.733 870 H LEU 115 H LEU 115 -17.817 15.003 2.791 871 HA LEU 115 HA LEU 115 -16.960 12.441 3.872 872 HB2 LEU 115 2HB LEU 115 -15.216 14.277 2.282 873 HB3 LEU 115 3HB LEU 115 -15.189 12.517 2.373 874 HG LEU 115 HG LEU 115 -17.372 14.093 1.016 875 HD11 LEU 115 1HD1 LEU 115 -16.123 14.302 -0.806 876 HD12 LEU 115 2HD1 LEU 115 -15.641 12.607 -0.743 877 HD13 LEU 115 3HD1 LEU 115 -14.732 13.816 0.163 878 HD21 LEU 115 1HD2 LEU 115 -18.350 12.074 1.294 879 HD22 LEU 115 2HD2 LEU 115 -16.813 11.232 1.496 880 HD23 LEU 115 3HD2 LEU 115 -17.378 11.663 -0.119 881 H ASP 116 H ASP 116 -16.099 15.867 4.090 882 HA ASP 116 HA ASP 116 -14.128 15.289 6.160 883 HB2 ASP 116 2HB ASP 116 -13.872 17.016 4.227 884 HB3 ASP 116 3HB ASP 116 -14.868 18.051 5.247 885 H THR 117 H THR 117 -15.777 14.500 7.655 886 HA THR 117 HA THR 117 -17.826 16.178 8.658 887 HB THR 117 HB THR 117 -17.174 14.408 10.720 888 HG1 THR 117 HG1 THR 117 -15.936 12.995 9.719 889 HG21 THR 117 1HG2 THR 117 -19.422 14.926 9.890 890 HG22 THR 117 2HG2 THR 117 -19.152 13.184 9.956 891 HG23 THR 117 3HG2 THR 117 -19.084 14.029 8.410 892 H ARG 118 H ARG 118 -17.817 16.491 11.217 893 HA ARG 118 HA ARG 118 -15.322 17.914 11.876 894 HB2 ARG 118 2HB ARG 118 -18.191 18.681 12.237 895 HB3 ARG 118 3HB ARG 118 -16.993 19.279 13.377 896 HG2 ARG 118 2HG ARG 118 -15.711 20.161 11.404 897 HG3 ARG 118 3HG ARG 118 -17.114 19.757 10.413 898 HD2 ARG 118 2HD ARG 118 -17.447 21.420 12.874 899 HD3 ARG 118 3HD ARG 118 -16.856 22.159 11.387 900 HE ARG 118 HE ARG 118 -19.531 21.414 11.962 901 HH11 ARG 118 1HH1 ARG 118 -17.200 21.559 9.380 902 HH12 ARG 118 2HH1 ARG 118 -18.395 21.720 8.135 903 HH21 ARG 118 1HH2 ARG 118 -21.113 21.626 10.332 904 HH22 ARG 118 2HH2 ARG 118 -20.620 21.759 8.678 905 HA PRO 119 HA PRO 119 -16.035 14.601 15.053 906 HB2 PRO 119 2HB PRO 119 -13.456 13.757 15.093 907 HB3 PRO 119 3HB PRO 119 -14.651 13.138 13.948 908 HG2 PRO 119 2HG PRO 119 -12.547 15.228 13.544 909 HG3 PRO 119 3HG PRO 119 -13.031 13.906 12.467 910 HD2 PRO 119 2HD PRO 119 -13.869 16.456 12.110 911 HD3 PRO 119 3HD PRO 119 -14.867 15.053 11.676 Start of MODEL 2 1 H1 GLY 2 H GLY 2 11.558 4.069 -8.361 2 HA2 GLY 2 2HA GLY 2 11.073 6.392 -8.052 3 HA3 GLY 2 3HA GLY 2 9.736 6.228 -9.182 4 H ASN 3 H ASN 3 10.030 7.162 -6.287 5 HA ASN 3 HA ASN 3 8.764 5.431 -4.531 6 HB2 ASN 3 2HB ASN 3 9.754 7.913 -4.289 7 HB3 ASN 3 3HB ASN 3 8.039 8.308 -4.353 8 HD21 ASN 3 1HD2 ASN 3 10.104 5.851 -2.829 9 HD22 ASN 3 2HD2 ASN 3 9.385 5.978 -1.263 10 H GLY 4 H GLY 4 6.502 5.890 -3.583 11 HA2 GLY 4 2HA GLY 4 4.208 6.123 -3.860 12 HA3 GLY 4 3HA GLY 4 4.498 6.740 -5.481 13 H GLN 5 H GLN 5 2.443 5.222 -5.498 14 HA GLN 5 HA GLN 5 2.851 2.426 -5.583 15 HB2 GLN 5 2HB GLN 5 0.690 4.303 -6.331 16 HB3 GLN 5 3HB GLN 5 0.681 2.753 -7.162 17 HG2 GLN 5 2HG GLN 5 -0.719 2.780 -5.140 18 HG3 GLN 5 3HG GLN 5 0.564 1.572 -5.077 19 HE21 GLN 5 1HE2 GLN 5 1.132 1.388 -3.028 20 HE22 GLN 5 2HE2 GLN 5 1.512 2.694 -1.963 21 H GLY 6 H GLY 6 1.906 4.414 -8.381 22 HA2 GLY 6 2HA GLY 6 4.078 3.965 -10.026 23 HA3 GLY 6 3HA GLY 6 3.039 2.562 -10.229 24 H ARG 7 H ARG 7 1.381 2.688 -11.617 25 HA ARG 7 HA ARG 7 1.151 4.830 -13.401 26 HB2 ARG 7 2HB ARG 7 -0.612 2.481 -12.769 27 HB3 ARG 7 3HB ARG 7 -1.113 3.692 -13.939 28 HG2 ARG 7 2HG ARG 7 0.753 3.219 -15.344 29 HG3 ARG 7 3HG ARG 7 1.478 2.179 -14.116 30 HD2 ARG 7 2HD ARG 7 0.450 0.803 -15.801 31 HD3 ARG 7 3HD ARG 7 -0.474 0.668 -14.306 32 HE ARG 7 HE ARG 7 -1.715 2.654 -15.717 33 HH11 ARG 7 1HH1 ARG 7 -0.899 -0.676 -16.319 34 HH12 ARG 7 2HH1 ARG 7 -2.247 -0.953 -17.370 35 HH21 ARG 7 1HH2 ARG 7 -3.496 2.302 -17.100 36 HH22 ARG 7 2HH2 ARG 7 -3.724 0.742 -17.815 37 H ASP 8 H ASP 8 -0.985 3.880 -10.715 38 HA ASP 8 HA ASP 8 -2.826 5.969 -10.980 39 HB2 ASP 8 2HB ASP 8 -1.988 4.504 -8.468 40 HB3 ASP 8 3HB ASP 8 -3.446 5.478 -8.645 41 H TRP 9 H TRP 9 0.327 5.853 -9.495 42 HA TRP 9 HA TRP 9 0.099 8.237 -7.972 43 HB2 TRP 9 2HB TRP 9 1.873 6.299 -7.881 44 HB3 TRP 9 3HB TRP 9 2.728 7.295 -9.056 45 HD1 TRP 9 HD1 TRP 9 4.567 8.571 -7.828 46 HE1 TRP 9 HE1 TRP 9 4.758 9.865 -5.611 47 HE3 TRP 9 HE3 TRP 9 -0.115 7.697 -5.971 48 HZ2 TRP 9 HZ2 TRP 9 3.139 10.437 -3.370 49 HZ3 TRP 9 HZ3 TRP 9 -0.715 8.652 -3.785 50 HH2 TRP 9 HH2 TRP 9 0.880 9.993 -2.512 51 H LYS 10 H LYS 10 1.896 7.623 -10.996 52 HA LYS 10 HA LYS 10 2.405 10.338 -11.542 53 HB2 LYS 10 2HB LYS 10 3.496 8.205 -12.532 54 HB3 LYS 10 3HB LYS 10 2.174 8.248 -13.690 55 HG2 LYS 10 2HG LYS 10 2.857 10.439 -14.445 56 HG3 LYS 10 3HG LYS 10 4.127 10.492 -13.219 57 HD2 LYS 10 2HD LYS 10 4.098 8.191 -15.102 58 HD3 LYS 10 3HD LYS 10 4.622 9.760 -15.718 59 HE2 LYS 10 2HE LYS 10 5.766 8.917 -13.128 60 HE3 LYS 10 3HE LYS 10 6.273 7.992 -14.541 61 HZ1 LYS 10 1HZ LYS 10 6.643 10.871 -13.999 62 HZ2 LYS 10 2HZ LYS 10 6.729 10.263 -15.575 63 HZ3 LYS 10 3HZ LYS 10 7.809 9.710 -14.395 64 H MET 11 H MET 11 -0.330 8.285 -12.195 65 HA MET 11 HA MET 11 -1.522 10.012 -14.148 66 HB2 MET 11 2HB MET 11 -2.012 7.613 -14.112 67 HB3 MET 11 3HB MET 11 -2.725 7.772 -12.512 68 HG2 MET 11 2HG MET 11 -4.056 9.634 -14.113 69 HG3 MET 11 3HG MET 11 -3.911 8.176 -15.093 70 HE1 MET 11 1HE MET 11 -6.389 5.826 -13.850 71 HE2 MET 11 2HE MET 11 -5.202 6.349 -15.045 72 HE3 MET 11 3HE MET 11 -4.670 5.550 -13.565 73 H ALA 12 H ALA 12 -1.941 9.448 -10.682 74 HA ALA 12 HA ALA 12 -4.175 11.093 -10.284 75 HB1 ALA 12 1HB ALA 12 -3.395 9.493 -8.616 76 HB2 ALA 12 2HB ALA 12 -1.946 10.463 -8.353 77 HB3 ALA 12 3HB ALA 12 -3.530 11.111 -7.930 78 H ILE 13 H ILE 13 -0.709 11.818 -10.192 79 HA ILE 13 HA ILE 13 -1.042 14.538 -9.409 80 HB ILE 13 HB ILE 13 1.314 13.204 -10.749 81 HG12 ILE 13 2HG1 ILE 13 0.744 13.778 -7.832 82 HG13 ILE 13 3HG1 ILE 13 0.741 12.189 -8.592 83 HG21 ILE 13 1HG2 ILE 13 1.120 15.843 -9.303 84 HG22 ILE 13 2HG2 ILE 13 2.610 15.101 -9.885 85 HG23 ILE 13 3HG2 ILE 13 1.375 15.616 -11.033 86 HD11 ILE 13 1HD1 ILE 13 2.813 12.172 -7.673 87 HD12 ILE 13 2HD1 ILE 13 3.204 12.897 -9.233 88 HD13 ILE 13 3HD1 ILE 13 3.013 13.918 -7.808 89 H LYS 14 H LYS 14 -0.547 12.911 -12.514 90 HA LYS 14 HA LYS 14 -0.309 15.220 -14.099 91 HB2 LYS 14 2HB LYS 14 0.279 12.916 -14.835 92 HB3 LYS 14 3HB LYS 14 -1.436 12.534 -14.910 93 HG2 LYS 14 2HG LYS 14 -1.785 14.066 -16.691 94 HG3 LYS 14 3HG LYS 14 -0.167 14.745 -16.504 95 HD2 LYS 14 2HD LYS 14 0.443 12.147 -16.903 96 HD3 LYS 14 3HD LYS 14 -1.047 12.265 -17.841 97 HE2 LYS 14 2HE LYS 14 0.831 14.483 -18.241 98 HE3 LYS 14 3HE LYS 14 1.435 12.910 -18.761 99 HZ1 LYS 14 1HZ LYS 14 -0.842 12.728 -19.915 100 HZ2 LYS 14 2HZ LYS 14 0.351 13.695 -20.624 101 HZ3 LYS 14 3HZ LYS 14 -0.903 14.410 -19.743 102 H ARG 15 H ARG 15 -3.056 13.650 -12.692 103 HA ARG 15 HA ARG 15 -5.001 14.892 -14.408 104 HB2 ARG 15 2HB ARG 15 -4.996 12.958 -12.233 105 HB3 ARG 15 3HB ARG 15 -6.318 14.110 -12.088 106 HG2 ARG 15 2HG ARG 15 -5.722 12.424 -14.511 107 HG3 ARG 15 3HG ARG 15 -6.982 12.108 -13.316 108 HD2 ARG 15 2HD ARG 15 -8.307 13.273 -14.698 109 HD3 ARG 15 3HD ARG 15 -7.510 14.689 -14.014 110 HE ARG 15 HE ARG 15 -5.898 13.939 -16.082 111 HH11 ARG 15 1HH1 ARG 15 -9.274 14.730 -15.760 112 HH12 ARG 15 2HH1 ARG 15 -9.413 15.358 -17.370 113 HH21 ARG 15 1HH2 ARG 15 -6.070 14.764 -18.202 114 HH22 ARG 15 2HH2 ARG 15 -7.591 15.375 -18.757 115 H CYS 16 H CYS 16 -4.289 15.235 -10.925 116 HA CYS 16 HA CYS 16 -5.822 17.577 -10.596 117 HB2 CYS 16 2HB CYS 16 -4.843 17.735 -8.417 118 HB3 CYS 16 3HB CYS 16 -5.074 16.026 -8.763 119 HG CYS 16 HG CYS 16 -2.075 16.870 -9.761 120 H SER 17 H SER 17 -2.732 17.049 -11.949 121 HA SER 17 HA SER 17 -1.393 19.422 -11.383 122 HB2 SER 17 2HB SER 17 -1.246 17.357 -13.494 123 HB3 SER 17 3HB SER 17 -0.560 18.925 -13.918 124 HG SER 17 HG SER 17 1.053 18.527 -12.640 125 H ASN 18 H ASN 18 -4.113 18.830 -13.425 126 HA ASN 18 HA ASN 18 -3.846 21.422 -14.750 127 HB2 ASN 18 2HB ASN 18 -4.746 19.008 -15.677 128 HB3 ASN 18 3HB ASN 18 -6.258 19.825 -15.291 129 HD21 ASN 18 1HD2 ASN 18 -3.174 20.354 -16.947 130 HD22 ASN 18 2HD2 ASN 18 -3.827 21.316 -18.225 131 H VAL 19 H VAL 19 -4.442 21.136 -11.868 132 HA VAL 19 HA VAL 19 -7.141 22.308 -11.781 133 HB VAL 19 HB VAL 19 -5.524 21.145 -9.509 134 HG11 VAL 19 1HG1 VAL 19 -7.680 22.940 -9.472 135 HG12 VAL 19 2HG1 VAL 19 -8.343 21.368 -9.024 136 HG13 VAL 19 3HG1 VAL 19 -6.995 22.050 -8.113 137 HG21 VAL 19 1HG2 VAL 19 -6.992 19.254 -9.587 138 HG22 VAL 19 2HG2 VAL 19 -7.967 19.999 -10.854 139 HG23 VAL 19 3HG2 VAL 19 -6.315 19.488 -11.199 140 H ALA 20 H ALA 20 -7.347 24.407 -11.374 141 HA ALA 20 HA ALA 20 -5.091 26.092 -11.031 142 HB1 ALA 20 1HB ALA 20 -8.007 26.445 -11.275 143 HB2 ALA 20 2HB ALA 20 -7.144 27.726 -10.422 144 HB3 ALA 20 3HB ALA 20 -6.685 27.300 -12.071 145 H VAL 21 H VAL 21 -3.969 26.289 -9.213 146 HA VAL 21 HA VAL 21 -5.331 25.942 -6.637 147 HB VAL 21 HB VAL 21 -3.111 25.670 -5.661 148 HG11 VAL 21 1HG1 VAL 21 -2.498 23.558 -6.728 149 HG12 VAL 21 2HG1 VAL 21 -4.248 23.700 -6.549 150 HG13 VAL 21 3HG1 VAL 21 -3.497 23.969 -8.123 151 HG21 VAL 21 1HG2 VAL 21 -1.910 27.198 -7.171 152 HG22 VAL 21 2HG2 VAL 21 -1.107 25.634 -7.028 153 HG23 VAL 21 3HG2 VAL 21 -2.055 26.011 -8.466 154 H GLY 22 H GLY 22 -3.715 28.283 -8.615 155 HA2 GLY 22 2HA GLY 22 -2.997 30.161 -6.643 156 HA3 GLY 22 3HA GLY 22 -3.301 30.523 -8.335 157 H VAL 23 H VAL 23 -4.021 32.471 -6.777 158 HA VAL 23 HA VAL 23 -6.921 32.154 -6.344 159 HB VAL 23 HB VAL 23 -5.106 34.171 -5.016 160 HG11 VAL 23 1HG1 VAL 23 -8.002 33.771 -5.119 161 HG12 VAL 23 2HG1 VAL 23 -7.355 33.938 -3.486 162 HG13 VAL 23 3HG1 VAL 23 -7.068 35.202 -4.684 163 HG21 VAL 23 1HG2 VAL 23 -5.525 32.783 -2.966 164 HG22 VAL 23 2HG2 VAL 23 -6.181 31.536 -4.025 165 HG23 VAL 23 3HG2 VAL 23 -4.493 32.026 -4.178 166 H GLY 24 H GLY 24 -4.465 34.608 -7.176 167 HA2 GLY 24 2HA GLY 24 -6.261 35.603 -9.264 168 HA3 GLY 24 3HA GLY 24 -5.740 36.738 -8.028 169 H GLY 25 H GLY 25 -5.238 36.993 -10.818 170 HA2 GLY 25 2HA GLY 25 -3.475 37.764 -12.093 171 HA3 GLY 25 3HA GLY 25 -2.416 37.469 -10.720 172 H LYS 26 H LYS 26 -1.282 35.561 -10.580 173 HA LYS 26 HA LYS 26 -0.660 34.251 -12.990 174 HB2 LYS 26 2HB LYS 26 0.389 34.348 -10.397 175 HB3 LYS 26 3HB LYS 26 -0.010 32.656 -10.662 176 HG2 LYS 26 2HG LYS 26 2.213 32.889 -11.358 177 HG3 LYS 26 3HG LYS 26 1.264 32.847 -12.847 178 HD2 LYS 26 2HD LYS 26 1.324 35.325 -12.899 179 HD3 LYS 26 3HD LYS 26 2.373 35.299 -11.480 180 HE2 LYS 26 2HE LYS 26 4.137 34.315 -12.659 181 HE3 LYS 26 3HE LYS 26 3.084 33.791 -13.973 182 HZ1 LYS 26 1HZ LYS 26 4.236 36.436 -13.455 183 HZ2 LYS 26 2HZ LYS 26 2.733 36.355 -14.227 184 HZ3 LYS 26 3HZ LYS 26 4.080 35.597 -14.915 185 H SER 27 H SER 27 -1.031 32.094 -13.650 186 HA SER 27 HA SER 27 -3.453 30.886 -12.481 187 HB2 SER 27 2HB SER 27 -2.542 30.795 -15.368 188 HB3 SER 27 3HB SER 27 -3.998 30.040 -14.721 189 HG SER 27 HG SER 27 -3.759 32.477 -15.646 190 H LYS 28 H LYS 28 -1.343 30.075 -11.212 191 HA LYS 28 HA LYS 28 -0.026 27.844 -12.484 192 HB2 LYS 28 2HB LYS 28 0.607 29.520 -10.384 193 HB3 LYS 28 3HB LYS 28 0.196 28.016 -9.571 194 HG2 LYS 28 2HG LYS 28 1.810 26.843 -11.052 195 HG3 LYS 28 3HG LYS 28 2.290 28.415 -11.695 196 HD2 LYS 28 2HD LYS 28 3.155 29.113 -9.614 197 HD3 LYS 28 3HD LYS 28 2.366 27.789 -8.754 198 HE2 LYS 28 2HE LYS 28 4.599 27.124 -8.887 199 HE3 LYS 28 3HE LYS 28 3.815 26.246 -10.200 200 HZ1 LYS 28 1HZ LYS 28 5.894 28.200 -10.316 201 HZ2 LYS 28 2HZ LYS 28 4.603 28.600 -11.333 202 HZ3 LYS 28 3HZ LYS 28 5.379 27.107 -11.500 203 H LYS 29 H LYS 29 -0.241 25.665 -11.929 204 HA LYS 29 HA LYS 29 -2.696 24.985 -10.446 205 HB2 LYS 29 2HB LYS 29 -1.561 23.670 -12.920 206 HB3 LYS 29 3HB LYS 29 -2.881 23.004 -11.968 207 HG2 LYS 29 2HG LYS 29 -4.383 24.545 -12.710 208 HG3 LYS 29 3HG LYS 29 -3.154 25.789 -12.955 209 HD2 LYS 29 2HD LYS 29 -2.345 24.032 -14.799 210 HD3 LYS 29 3HD LYS 29 -4.062 23.622 -14.764 211 HE2 LYS 29 2HE LYS 29 -3.953 26.418 -14.788 212 HE3 LYS 29 3HE LYS 29 -2.738 25.890 -15.951 213 HZ1 LYS 29 1HZ LYS 29 -4.674 26.017 -17.191 214 HZ2 LYS 29 2HZ LYS 29 -5.644 25.379 -15.960 215 HZ3 LYS 29 3HZ LYS 29 -4.589 24.370 -16.814 216 H PHE 30 H PHE 30 -2.653 22.568 -9.806 217 HA PHE 30 HA PHE 30 -0.641 22.164 -7.941 218 HB2 PHE 30 2HB PHE 30 -2.871 20.617 -9.022 219 HB3 PHE 30 3HB PHE 30 -1.521 19.604 -8.519 220 HD1 PHE 30 HD1 PHE 30 -0.456 20.708 -6.175 221 HD2 PHE 30 HD2 PHE 30 -4.520 20.687 -7.442 222 HE1 PHE 30 HE1 PHE 30 -1.184 20.900 -3.833 223 HE2 PHE 30 HE2 PHE 30 -5.254 20.881 -5.102 224 HZ PHE 30 HZ PHE 30 -3.585 20.988 -3.293 225 H GLY 31 H GLY 31 1.058 20.576 -7.838 226 HA2 GLY 31 2HA GLY 31 2.024 19.515 -10.382 227 HA3 GLY 31 3HA GLY 31 3.058 20.681 -9.569 228 H GLU 32 H GLU 32 4.052 18.214 -10.078 229 HA GLU 32 HA GLU 32 3.658 16.237 -8.155 230 HB2 GLU 32 2HB GLU 32 5.966 15.484 -8.752 231 HB3 GLU 32 3HB GLU 32 4.911 15.738 -10.136 232 HG2 GLU 32 2HG GLU 32 5.954 17.986 -10.422 233 HG3 GLU 32 3HG GLU 32 7.106 17.547 -9.162 234 H GLY 33 H GLY 33 5.932 18.964 -8.173 235 HA2 GLY 33 2HA GLY 33 7.208 18.334 -5.736 236 HA3 GLY 33 3HA GLY 33 7.172 19.920 -6.493 237 H ASN 34 H ASN 34 4.400 20.371 -6.456 238 HA ASN 34 HA ASN 34 4.081 21.352 -3.819 239 HB2 ASN 34 2HB ASN 34 1.901 21.049 -5.889 240 HB3 ASN 34 3HB ASN 34 1.964 22.201 -4.558 241 HD21 ASN 34 1HD2 ASN 34 3.010 24.093 -4.817 242 HD22 ASN 34 2HD2 ASN 34 3.795 24.577 -6.279 243 H PHE 35 H PHE 35 2.518 18.699 -5.592 244 HA PHE 35 HA PHE 35 0.718 17.878 -3.653 245 HB2 PHE 35 2HB PHE 35 0.554 16.906 -5.814 246 HB3 PHE 35 3HB PHE 35 2.215 16.324 -5.760 247 HD1 PHE 35 HD1 PHE 35 2.078 14.026 -5.961 248 HD2 PHE 35 HD2 PHE 35 -0.498 16.036 -3.234 249 HE1 PHE 35 HE1 PHE 35 1.290 11.855 -5.110 250 HE2 PHE 35 HE2 PHE 35 -1.290 13.870 -2.378 251 HZ PHE 35 HZ PHE 35 -0.395 11.776 -3.315 252 H ARG 36 H ARG 36 4.110 16.939 -4.082 253 HA ARG 36 HA ARG 36 4.222 15.040 -2.021 254 HB2 ARG 36 2HB ARG 36 6.418 16.819 -3.096 255 HB3 ARG 36 3HB ARG 36 6.667 15.396 -2.093 256 HG2 ARG 36 2HG ARG 36 6.184 13.941 -3.785 257 HG3 ARG 36 3HG ARG 36 5.137 15.089 -4.621 258 HD2 ARG 36 2HD ARG 36 7.099 16.388 -5.292 259 HD3 ARG 36 3HD ARG 36 8.144 15.243 -4.453 260 HE ARG 36 HE ARG 36 6.917 14.904 -7.028 261 HH11 ARG 36 1HH1 ARG 36 8.232 13.269 -4.250 262 HH12 ARG 36 2HH1 ARG 36 8.607 11.817 -5.119 263 HH21 ARG 36 1HH2 ARG 36 7.405 12.999 -8.182 264 HH22 ARG 36 2HH2 ARG 36 8.137 11.665 -7.356 265 H TRP 37 H TRP 37 5.204 18.467 -1.998 266 HA TRP 37 HA TRP 37 5.959 18.665 0.655 267 HB2 TRP 37 2HB TRP 37 6.416 20.502 -0.777 268 HB3 TRP 37 3HB TRP 37 4.718 20.685 -1.211 269 HD1 TRP 37 HD1 TRP 37 7.269 21.764 1.349 270 HE1 TRP 37 HE1 TRP 37 6.185 23.419 2.993 271 HE3 TRP 37 HE3 TRP 37 2.381 21.208 -0.046 272 HZ2 TRP 37 HZ2 TRP 37 3.599 24.363 3.619 273 HZ3 TRP 37 HZ3 TRP 37 0.664 22.524 1.126 274 HH2 TRP 37 HH2 TRP 37 1.263 24.068 2.921 275 H ALA 38 H ALA 38 2.758 18.592 -0.742 276 HA ALA 38 HA ALA 38 1.441 19.401 1.694 277 HB1 ALA 38 1HB ALA 38 -0.044 19.975 0.132 278 HB2 ALA 38 2HB ALA 38 0.671 18.896 -1.065 279 HB3 ALA 38 3HB ALA 38 -0.497 18.271 0.099 280 H ILE 39 H ILE 39 1.209 16.420 -0.257 281 HA ILE 39 HA ILE 39 -0.060 14.830 1.597 282 HB ILE 39 HB ILE 39 0.381 14.173 -0.752 283 HG12 ILE 39 2HG1 ILE 39 1.517 12.005 0.977 284 HG13 ILE 39 3HG1 ILE 39 -0.125 12.571 1.263 285 HG21 ILE 39 1HG2 ILE 39 2.836 14.878 -0.586 286 HG22 ILE 39 2HG2 ILE 39 3.108 13.288 0.126 287 HG23 ILE 39 3HG2 ILE 39 2.462 13.422 -1.509 288 HD11 ILE 39 1HD1 ILE 39 0.201 10.543 -0.245 289 HD12 ILE 39 2HD1 ILE 39 -0.863 11.828 -0.819 290 HD13 ILE 39 3HD1 ILE 39 0.778 11.692 -1.453 291 H ARG 40 H ARG 40 3.354 15.630 1.365 292 HA ARG 40 HA ARG 40 4.204 13.738 3.332 293 HB2 ARG 40 2HB ARG 40 5.731 14.605 1.610 294 HB3 ARG 40 3HB ARG 40 5.587 16.218 2.294 295 HG2 ARG 40 2HG ARG 40 6.787 15.641 4.213 296 HG3 ARG 40 3HG ARG 40 6.583 13.911 3.926 297 HD2 ARG 40 2HD ARG 40 7.996 15.500 1.855 298 HD3 ARG 40 3HD ARG 40 8.846 15.190 3.369 299 HE ARG 40 HE ARG 40 7.809 12.764 2.508 300 HH11 ARG 40 1HH1 ARG 40 10.105 15.138 1.405 301 HH12 ARG 40 2HH1 ARG 40 11.080 13.989 0.551 302 HH21 ARG 40 1HH2 ARG 40 9.084 11.243 1.386 303 HH22 ARG 40 2HH2 ARG 40 10.498 11.773 0.539 304 H MET 41 H MET 41 3.831 17.284 3.370 305 HA MET 41 HA MET 41 4.443 17.716 6.040 306 HB2 MET 41 2HB MET 41 4.167 19.523 4.404 307 HB3 MET 41 3HB MET 41 2.439 19.204 4.332 308 HG2 MET 41 2HG MET 41 2.028 20.355 6.197 309 HG3 MET 41 3HG MET 41 3.428 19.686 7.032 310 HE1 MET 41 1HE MET 41 2.996 23.620 6.941 311 HE2 MET 41 2HE MET 41 2.499 22.124 7.730 312 HE3 MET 41 3HE MET 41 4.112 22.780 8.019 313 H ALA 42 H ALA 42 1.435 16.660 4.565 314 HA ALA 42 HA ALA 42 -0.139 16.913 6.937 315 HB1 ALA 42 1HB ALA 42 -1.359 16.986 4.943 316 HB2 ALA 42 2HB ALA 42 -0.567 15.547 4.300 317 HB3 ALA 42 3HB ALA 42 -1.726 15.400 5.622 318 H ASN 43 H ASN 43 1.621 14.276 5.376 319 HA ASN 43 HA ASN 43 0.703 12.184 7.008 320 HB2 ASN 43 2HB ASN 43 2.424 12.412 4.852 321 HB3 ASN 43 3HB ASN 43 3.484 11.896 6.160 322 HD21 ASN 43 1HD2 ASN 43 3.804 9.895 5.179 323 HD22 ASN 43 2HD2 ASN 43 2.587 8.667 5.192 324 H VAL 44 H VAL 44 3.727 14.062 7.229 325 HA VAL 44 HA VAL 44 4.592 12.928 9.655 326 HB VAL 44 HB VAL 44 6.083 14.901 9.835 327 HG11 VAL 44 1HG1 VAL 44 6.614 12.905 8.425 328 HG12 VAL 44 2HG1 VAL 44 6.017 13.804 7.029 329 HG13 VAL 44 3HG1 VAL 44 7.420 14.392 7.924 330 HG21 VAL 44 1HG2 VAL 44 4.860 16.715 9.039 331 HG22 VAL 44 2HG2 VAL 44 6.034 16.425 7.754 332 HG23 VAL 44 3HG2 VAL 44 4.370 15.867 7.572 333 H SER 45 H SER 45 2.569 15.719 8.936 334 HA SER 45 HA SER 45 2.502 16.818 11.527 335 HB2 SER 45 2HB SER 45 0.718 17.021 9.122 336 HB3 SER 45 3HB SER 45 0.217 17.739 10.652 337 HG SER 45 HG SER 45 1.344 19.342 9.782 338 H THR 46 H THR 46 0.992 14.050 10.165 339 HA THR 46 HA THR 46 -0.902 13.865 12.401 340 HB THR 46 HB THR 46 -1.779 11.864 11.049 341 HG1 THR 46 HG1 THR 46 0.015 11.708 9.621 342 HG21 THR 46 1HG2 THR 46 -2.075 14.436 9.543 343 HG22 THR 46 2HG2 THR 46 -2.687 14.298 11.192 344 HG23 THR 46 3HG2 THR 46 -3.294 13.223 9.933 345 H GLY 47 H GLY 47 2.129 12.775 11.443 346 HA2 GLY 47 2HA GLY 47 3.576 11.263 12.393 347 HA3 GLY 47 3HA GLY 47 2.413 11.081 13.699 348 H ARG 48 H ARG 48 1.997 10.397 10.246 349 HA ARG 48 HA ARG 48 1.099 7.711 10.942 350 HB2 ARG 48 2HB ARG 48 0.871 9.430 8.491 351 HB3 ARG 48 3HB ARG 48 0.578 7.699 8.396 352 HG2 ARG 48 2HG ARG 48 -1.058 8.110 10.356 353 HG3 ARG 48 3HG ARG 48 -0.972 9.798 9.848 354 HD2 ARG 48 2HD ARG 48 -2.242 9.429 8.045 355 HD3 ARG 48 3HD ARG 48 -1.367 7.957 7.626 356 HE ARG 48 HE ARG 48 -2.981 6.728 8.693 357 HH11 ARG 48 1HH1 ARG 48 -3.311 10.079 9.576 358 HH12 ARG 48 2HH1 ARG 48 -4.821 9.851 10.392 359 HH21 ARG 48 1HH2 ARG 48 -4.970 6.414 9.764 360 HH22 ARG 48 2HH2 ARG 48 -5.764 7.765 10.500 361 H GLU 49 H GLU 49 3.815 8.055 11.317 362 HA GLU 49 HA GLU 49 5.801 7.036 10.879 363 HB2 GLU 49 2HB GLU 49 4.382 5.379 8.802 364 HB3 GLU 49 3HB GLU 49 5.813 4.959 9.732 365 HG2 GLU 49 2HG GLU 49 4.162 5.244 11.763 366 HG3 GLU 49 3HG GLU 49 2.952 4.914 10.525 367 HA PRO 50 HA PRO 50 7.552 9.178 7.470 368 HB2 PRO 50 2HB PRO 50 9.842 7.767 7.098 369 HB3 PRO 50 3HB PRO 50 9.594 8.849 8.473 370 HG2 PRO 50 2HG PRO 50 9.329 5.871 8.335 371 HG3 PRO 50 3HG PRO 50 10.074 6.870 9.596 372 HD2 PRO 50 2HD PRO 50 7.585 5.832 9.839 373 HD3 PRO 50 3HD PRO 50 8.044 7.390 10.558 374 H GLY 51 H GLY 51 7.860 5.634 7.108 375 HA2 GLY 51 2HA GLY 51 7.672 5.887 4.215 376 HA3 GLY 51 3HA GLY 51 7.958 4.407 5.118 377 H ASP 52 H ASP 52 5.394 6.847 4.696 378 HA ASP 52 HA ASP 52 3.472 4.628 4.473 379 HB2 ASP 52 2HB ASP 52 3.520 6.803 6.390 380 HB3 ASP 52 3HB ASP 52 2.031 6.817 5.449 381 H ILE 53 H ILE 53 3.236 4.652 2.286 382 HA ILE 53 HA ILE 53 2.313 7.179 1.080 383 HB ILE 53 HB ILE 53 3.663 4.898 -0.366 384 HG12 ILE 53 2HG1 ILE 53 5.202 6.040 1.200 385 HG13 ILE 53 3HG1 ILE 53 5.639 6.319 -0.482 386 HG21 ILE 53 1HG2 ILE 53 2.721 5.888 -2.133 387 HG22 ILE 53 2HG2 ILE 53 2.284 7.323 -1.207 388 HG23 ILE 53 3HG2 ILE 53 3.904 7.171 -1.886 389 HD11 ILE 53 1HD1 ILE 53 5.212 8.219 1.532 390 HD12 ILE 53 2HD1 ILE 53 5.533 8.503 -0.179 391 HD13 ILE 53 3HD1 ILE 53 3.871 8.382 0.398 392 HA PRO 54 HA PRO 54 -1.128 4.023 0.930 393 HB2 PRO 54 2HB PRO 54 -3.028 5.671 1.952 394 HB3 PRO 54 3HB PRO 54 -1.976 4.674 2.963 395 HG2 PRO 54 2HG PRO 54 -1.746 7.579 2.277 396 HG3 PRO 54 3HG PRO 54 -1.510 6.776 3.841 397 HD2 PRO 54 2HD PRO 54 0.558 7.516 2.255 398 HD3 PRO 54 3HD PRO 54 0.624 6.086 3.305 399 H GLU 55 H GLU 55 -3.445 4.544 0.017 400 HA GLU 55 HA GLU 55 -3.829 6.755 -1.673 401 HB2 GLU 55 2HB GLU 55 -1.901 5.338 -2.781 402 HB3 GLU 55 3HB GLU 55 -3.240 4.340 -3.332 403 HG2 GLU 55 2HG GLU 55 -4.241 6.581 -4.160 404 HG3 GLU 55 3HG GLU 55 -2.586 7.169 -4.019 405 H THR 56 H THR 56 -5.642 5.976 -0.101 406 HA THR 56 HA THR 56 -7.603 4.561 -1.756 407 HB THR 56 HB THR 56 -8.371 3.160 0.001 408 HG1 THR 56 HG1 THR 56 -7.621 3.341 2.109 409 HG21 THR 56 1HG2 THR 56 -5.386 3.004 0.321 410 HG22 THR 56 2HG2 THR 56 -6.181 2.556 -1.189 411 HG23 THR 56 3HG2 THR 56 -6.563 1.692 0.300 412 H LEU 57 H LEU 57 -9.734 5.202 -1.457 413 HA LEU 57 HA LEU 57 -10.227 7.836 -0.779 414 HB2 LEU 57 2HB LEU 57 -11.661 5.942 -1.982 415 HB3 LEU 57 3HB LEU 57 -12.428 5.883 -0.395 416 HG LEU 57 HG LEU 57 -13.719 7.303 -1.830 417 HD11 LEU 57 1HD1 LEU 57 -13.031 7.970 0.627 418 HD12 LEU 57 2HD1 LEU 57 -14.008 9.038 -0.379 419 HD13 LEU 57 3HD1 LEU 57 -12.277 9.330 -0.205 420 HD21 LEU 57 1HD2 LEU 57 -12.167 7.913 -3.515 421 HD22 LEU 57 2HD2 LEU 57 -11.107 8.706 -2.349 422 HD23 LEU 57 3HD2 LEU 57 -12.678 9.410 -2.734 423 H ASP 58 H ASP 58 -10.375 4.954 1.226 424 HA ASP 58 HA ASP 58 -11.630 6.166 3.462 425 HB2 ASP 58 2HB ASP 58 -10.108 3.638 2.991 426 HB3 ASP 58 3HB ASP 58 -10.395 4.154 4.650 427 H GLN 59 H GLN 59 -8.294 5.859 2.423 428 HA GLN 59 HA GLN 59 -7.147 6.752 4.880 429 HB2 GLN 59 2HB GLN 59 -5.850 5.409 3.318 430 HB3 GLN 59 3HB GLN 59 -6.004 6.651 2.083 431 HG2 GLN 59 2HG GLN 59 -4.846 7.588 4.603 432 HG3 GLN 59 3HG GLN 59 -3.891 6.366 3.764 433 HE21 GLN 59 1HE2 GLN 59 -4.271 6.928 1.168 434 HE22 GLN 59 2HE2 GLN 59 -3.680 8.506 0.788 435 H LEU 60 H LEU 60 -7.406 8.334 1.690 436 HA LEU 60 HA LEU 60 -6.515 10.841 2.380 437 HB2 LEU 60 2HB LEU 60 -8.294 9.747 0.305 438 HB3 LEU 60 3HB LEU 60 -8.465 11.474 0.612 439 HG LEU 60 HG LEU 60 -6.954 11.101 -1.237 440 HD11 LEU 60 1HD1 LEU 60 -4.974 11.832 0.805 441 HD12 LEU 60 2HD1 LEU 60 -6.486 12.737 0.867 442 HD13 LEU 60 3HD1 LEU 60 -5.529 12.720 -0.614 443 HD21 LEU 60 1HD2 LEU 60 -4.678 9.995 0.006 444 HD22 LEU 60 2HD2 LEU 60 -5.653 9.305 -1.293 445 HD23 LEU 60 3HD2 LEU 60 -6.037 8.939 0.391 446 H ARG 61 H ARG 61 -9.778 9.518 2.735 447 HA ARG 61 HA ARG 61 -11.011 11.894 3.621 448 HB2 ARG 61 2HB ARG 61 -12.226 9.882 2.804 449 HB3 ARG 61 3HB ARG 61 -11.778 9.047 4.286 450 HG2 ARG 61 2HG ARG 61 -12.986 11.512 5.001 451 HG3 ARG 61 3HG ARG 61 -14.010 10.720 3.801 452 HD2 ARG 61 2HD ARG 61 -12.913 9.115 6.062 453 HD3 ARG 61 3HD ARG 61 -14.271 10.198 6.363 454 HE ARG 61 HE ARG 61 -14.322 7.717 4.924 455 HH11 ARG 61 1HH1 ARG 61 -15.853 10.821 5.299 456 HH12 ARG 61 2HH1 ARG 61 -17.384 10.287 4.690 457 HH21 ARG 61 1HH2 ARG 61 -16.333 7.000 4.121 458 HH22 ARG 61 2HH2 ARG 61 -17.656 8.113 4.021 459 H LEU 62 H LEU 62 -9.831 9.085 5.476 460 HA LEU 62 HA LEU 62 -10.336 10.049 8.023 461 HB2 LEU 62 2HB LEU 62 -8.817 7.928 6.837 462 HB3 LEU 62 3HB LEU 62 -7.898 8.647 8.157 463 HG LEU 62 HG LEU 62 -9.121 6.776 9.008 464 HD11 LEU 62 1HD1 LEU 62 -10.844 8.991 9.970 465 HD12 LEU 62 2HD1 LEU 62 -9.101 9.150 10.180 466 HD13 LEU 62 3HD1 LEU 62 -9.949 7.771 10.878 467 HD21 LEU 62 1HD2 LEU 62 -10.880 7.025 7.103 468 HD22 LEU 62 2HD2 LEU 62 -11.741 8.014 8.284 469 HD23 LEU 62 3HD2 LEU 62 -11.356 6.332 8.654 470 H VAL 63 H VAL 63 -7.584 10.648 5.904 471 HA VAL 63 HA VAL 63 -5.924 11.954 7.752 472 HB VAL 63 HB VAL 63 -6.130 12.426 4.774 473 HG11 VAL 63 1HG1 VAL 63 -4.812 14.176 5.349 474 HG12 VAL 63 2HG1 VAL 63 -4.306 13.439 6.870 475 HG13 VAL 63 3HG1 VAL 63 -3.567 12.928 5.352 476 HG21 VAL 63 1HG2 VAL 63 -5.260 10.397 4.533 477 HG22 VAL 63 2HG2 VAL 63 -3.847 10.917 5.453 478 HG23 VAL 63 3HG2 VAL 63 -5.216 10.175 6.283 479 H ILE 64 H ILE 64 -8.339 13.254 5.492 480 HA ILE 64 HA ILE 64 -7.987 15.961 6.028 481 HB ILE 64 HB ILE 64 -10.482 14.459 5.247 482 HG12 ILE 64 2HG1 ILE 64 -8.610 14.434 3.629 483 HG13 ILE 64 3HG1 ILE 64 -10.005 15.318 3.018 484 HG21 ILE 64 1HG2 ILE 64 -11.347 16.698 4.552 485 HG22 ILE 64 2HG2 ILE 64 -11.220 16.470 6.295 486 HG23 ILE 64 3HG2 ILE 64 -10.009 17.426 5.441 487 HD11 ILE 64 1HD1 ILE 64 -8.051 16.536 2.444 488 HD12 ILE 64 2HD1 ILE 64 -8.874 17.424 3.727 489 HD13 ILE 64 3HD1 ILE 64 -7.445 16.460 4.099 490 H CYS 65 H CYS 65 -10.044 13.582 7.660 491 HA CYS 65 HA CYS 65 -11.353 15.332 9.406 492 HB2 CYS 65 2HB CYS 65 -12.039 12.991 9.047 493 HB3 CYS 65 3HB CYS 65 -10.589 12.443 9.879 494 HG CYS 65 HG CYS 65 -11.424 12.761 12.323 495 H ASP 66 H ASP 66 -8.425 13.379 9.947 496 HA ASP 66 HA ASP 66 -7.906 14.349 12.540 497 HB2 ASP 66 2HB ASP 66 -5.765 13.407 10.643 498 HB3 ASP 66 3HB ASP 66 -5.828 13.238 12.395 499 H LEU 67 H LEU 67 -6.322 15.186 9.453 500 HA LEU 67 HA LEU 67 -4.693 17.218 10.372 501 HB2 LEU 67 2HB LEU 67 -5.074 16.117 7.989 502 HB3 LEU 67 3HB LEU 67 -6.020 17.582 7.740 503 HG LEU 67 HG LEU 67 -3.136 17.608 8.607 504 HD11 LEU 67 1HD1 LEU 67 -2.571 18.088 6.291 505 HD12 LEU 67 2HD1 LEU 67 -4.256 17.871 5.820 506 HD13 LEU 67 3HD1 LEU 67 -3.328 16.502 6.434 507 HD21 LEU 67 1HD2 LEU 67 -5.198 19.619 8.082 508 HD22 LEU 67 2HD2 LEU 67 -3.665 19.919 7.264 509 HD23 LEU 67 3HD2 LEU 67 -3.708 19.735 9.018 510 H GLN 68 H GLN 68 -8.111 17.297 9.583 511 HA GLN 68 HA GLN 68 -8.450 20.092 9.566 512 HB2 GLN 68 2HB GLN 68 -10.145 18.602 8.665 513 HB3 GLN 68 3HB GLN 68 -10.408 17.894 10.253 514 HG2 GLN 68 2HG GLN 68 -10.790 20.824 9.899 515 HG3 GLN 68 3HG GLN 68 -12.025 19.714 9.306 516 HE21 GLN 68 1HE2 GLN 68 -12.207 17.803 11.111 517 HE22 GLN 68 2HE2 GLN 68 -12.624 18.425 12.668 518 H GLU 69 H GLU 69 -8.999 17.714 12.163 519 HA GLU 69 HA GLU 69 -9.783 19.473 14.159 520 HB2 GLU 69 2HB GLU 69 -9.259 16.761 13.993 521 HB3 GLU 69 3HB GLU 69 -8.065 17.332 15.149 522 HG2 GLU 69 2HG GLU 69 -11.052 17.494 15.324 523 HG3 GLU 69 3HG GLU 69 -9.927 16.690 16.418 524 H ARG 70 H ARG 70 -6.516 18.446 13.243 525 HA ARG 70 HA ARG 70 -5.210 19.947 15.282 526 HB2 ARG 70 2HB ARG 70 -4.466 18.084 13.266 527 HB3 ARG 70 3HB ARG 70 -3.477 19.522 13.051 528 HG2 ARG 70 2HG ARG 70 -3.404 19.100 15.773 529 HG3 ARG 70 3HG ARG 70 -3.362 17.471 15.097 530 HD2 ARG 70 2HD ARG 70 -1.451 18.019 13.750 531 HD3 ARG 70 3HD ARG 70 -1.552 19.715 14.220 532 HE ARG 70 HE ARG 70 -1.260 18.125 16.522 533 HH11 ARG 70 1HH1 ARG 70 0.539 19.199 13.741 534 HH12 ARG 70 2HH1 ARG 70 2.075 19.115 14.538 535 HH21 ARG 70 1HH2 ARG 70 0.756 18.010 17.583 536 HH22 ARG 70 2HH2 ARG 70 2.197 18.437 16.724 537 H ARG 71 H ARG 71 -6.173 20.595 11.974 538 HA ARG 71 HA ARG 71 -4.653 22.930 11.562 539 HB2 ARG 71 2HB ARG 71 -5.641 21.851 9.672 540 HB3 ARG 71 3HB ARG 71 -7.253 21.979 10.363 541 HG2 ARG 71 2HG ARG 71 -6.059 24.582 10.118 542 HG3 ARG 71 3HG ARG 71 -6.025 23.730 8.572 543 HD2 ARG 71 2HD ARG 71 -8.399 23.352 8.670 544 HD3 ARG 71 3HD ARG 71 -8.479 24.020 10.300 545 HE ARG 71 HE ARG 71 -7.410 25.942 8.538 546 HH11 ARG 71 1HH1 ARG 71 -10.406 24.345 9.310 547 HH12 ARG 71 2HH1 ARG 71 -11.397 25.666 8.783 548 HH21 ARG 71 1HH2 ARG 71 -8.704 27.686 7.840 549 HH22 ARG 71 2HH2 ARG 71 -10.427 27.565 7.945 550 H GLU 72 H GLU 72 -7.743 22.359 13.117 551 HA GLU 72 HA GLU 72 -8.436 25.134 13.319 552 HB2 GLU 72 2HB GLU 72 -10.215 23.519 13.293 553 HB3 GLU 72 3HB GLU 72 -9.528 22.662 14.666 554 HG2 GLU 72 2HG GLU 72 -11.527 24.117 15.140 555 HG3 GLU 72 3HG GLU 72 -10.116 24.369 16.166 556 H LYS 73 H LYS 73 -7.456 22.685 15.721 557 HA LYS 73 HA LYS 73 -7.237 24.362 17.919 558 HB2 LYS 73 2HB LYS 73 -6.870 21.720 17.526 559 HB3 LYS 73 3HB LYS 73 -5.193 22.229 17.672 560 HG2 LYS 73 2HG LYS 73 -5.517 23.031 19.858 561 HG3 LYS 73 3HG LYS 73 -7.274 22.975 19.702 562 HD2 LYS 73 2HD LYS 73 -6.453 20.372 19.186 563 HD3 LYS 73 3HD LYS 73 -5.417 20.902 20.514 564 HE2 LYS 73 2HE LYS 73 -8.365 21.398 20.608 565 HE3 LYS 73 3HE LYS 73 -7.719 19.814 21.032 566 HZ1 LYS 73 1HZ LYS 73 -7.199 20.588 23.023 567 HZ2 LYS 73 2HZ LYS 73 -7.848 22.099 22.627 568 HZ3 LYS 73 3HZ LYS 73 -6.211 21.782 22.344 569 H PHE 74 H PHE 74 -5.120 23.982 15.196 570 HA PHE 74 HA PHE 74 -3.000 25.522 16.491 571 HB2 PHE 74 2HB PHE 74 -2.538 23.456 15.074 572 HB3 PHE 74 3HB PHE 74 -2.985 24.430 13.677 573 HD1 PHE 74 HD1 PHE 74 -1.352 25.613 12.566 574 HD2 PHE 74 HD2 PHE 74 -0.697 24.480 16.617 575 HE1 PHE 74 HE1 PHE 74 0.947 26.481 12.434 576 HE2 PHE 74 HE2 PHE 74 1.601 25.347 16.491 577 HZ PHE 74 HZ PHE 74 2.426 26.350 14.398 578 H GLY 75 H GLY 75 -5.575 25.866 14.208 579 HA2 GLY 75 2HA GLY 75 -6.454 28.043 13.721 580 HA3 GLY 75 3HA GLY 75 -4.829 28.693 13.872 581 H SER 76 H SER 76 -6.312 29.400 11.717 582 HA SER 76 HA SER 76 -5.777 27.665 9.480 583 HB2 SER 76 2HB SER 76 -6.468 30.438 8.840 584 HB3 SER 76 3HB SER 76 -7.284 28.942 8.387 585 HG SER 76 HG SER 76 -8.513 30.352 9.790 586 H SER 77 H SER 77 -4.395 28.113 7.729 587 HA SER 77 HA SER 77 -2.601 30.329 7.723 588 HB2 SER 77 2HB SER 77 -0.752 29.506 8.718 589 HB3 SER 77 3HB SER 77 -1.832 28.315 9.445 590 HG SER 77 HG SER 77 -0.023 27.373 8.356 591 H LYS 78 H LYS 78 -1.239 30.368 5.867 592 HA LYS 78 HA LYS 78 -2.381 29.299 3.552 593 HB2 LYS 78 2HB LYS 78 0.105 30.759 4.219 594 HB3 LYS 78 3HB LYS 78 0.129 29.851 2.714 595 HG2 LYS 78 2HG LYS 78 -1.900 31.041 1.990 596 HG3 LYS 78 3HG LYS 78 -1.851 31.987 3.480 597 HD2 LYS 78 2HD LYS 78 0.647 32.413 2.615 598 HD3 LYS 78 3HD LYS 78 -0.150 32.152 1.062 599 HE2 LYS 78 2HE LYS 78 -0.178 34.503 1.574 600 HE3 LYS 78 3HE LYS 78 -1.821 33.872 1.685 601 HZ1 LYS 78 1HZ LYS 78 -1.931 34.615 3.751 602 HZ2 LYS 78 2HZ LYS 78 -0.357 35.225 3.643 603 HZ3 LYS 78 3HZ LYS 78 -0.617 33.650 4.203 604 H GLU 79 H GLU 79 0.151 28.083 5.640 605 HA GLU 79 HA GLU 79 1.030 26.034 3.848 606 HB2 GLU 79 2HB GLU 79 1.402 26.278 6.838 607 HB3 GLU 79 3HB GLU 79 2.267 25.167 5.786 608 HG2 GLU 79 2HG GLU 79 3.762 26.710 5.259 609 HG3 GLU 79 3HG GLU 79 2.506 27.867 4.825 610 H ILE 80 H ILE 80 -0.844 25.948 6.881 611 HA ILE 80 HA ILE 80 -1.502 23.227 6.767 612 HB ILE 80 HB ILE 80 -1.762 24.681 8.779 613 HG12 ILE 80 2HG1 ILE 80 -3.910 23.623 9.530 614 HG13 ILE 80 3HG1 ILE 80 -4.165 23.082 7.875 615 HG21 ILE 80 1HG2 ILE 80 -3.837 25.980 9.016 616 HG22 ILE 80 2HG2 ILE 80 -2.800 26.604 7.734 617 HG23 ILE 80 3HG2 ILE 80 -4.223 25.644 7.328 618 HD11 ILE 80 1HD1 ILE 80 -3.071 21.527 9.691 619 HD12 ILE 80 2HD1 ILE 80 -2.552 21.484 8.005 620 HD13 ILE 80 3HD1 ILE 80 -1.605 22.375 9.197 621 H ASP 81 H ASP 81 -2.932 26.018 5.236 622 HA ASP 81 HA ASP 81 -5.391 24.802 4.500 623 HB2 ASP 81 2HB ASP 81 -3.896 27.247 3.615 624 HB3 ASP 81 3HB ASP 81 -5.299 26.700 2.701 625 H MET 82 H MET 82 -2.512 25.580 2.537 626 HA MET 82 HA MET 82 -3.266 24.321 0.200 627 HB2 MET 82 2HB MET 82 -1.178 25.754 0.727 628 HB3 MET 82 3HB MET 82 -0.424 24.230 1.175 629 HG2 MET 82 2HG MET 82 0.103 23.928 -0.947 630 HG3 MET 82 3HG MET 82 -1.614 23.777 -1.312 631 HE1 MET 82 1HE MET 82 -0.834 26.053 -4.250 632 HE2 MET 82 2HE MET 82 0.275 24.804 -3.684 633 HE3 MET 82 3HE MET 82 -1.466 24.517 -3.657 634 H ALA 83 H ALA 83 -1.845 22.934 3.105 635 HA ALA 83 HA ALA 83 -1.253 20.383 2.075 636 HB1 ALA 83 1HB ALA 83 -0.313 20.298 4.084 637 HB2 ALA 83 2HB ALA 83 -1.268 21.672 4.647 638 HB3 ALA 83 3HB ALA 83 -1.918 20.037 4.767 639 H ILE 84 H ILE 84 -4.060 21.458 4.001 640 HA ILE 84 HA ILE 84 -5.493 19.066 3.869 641 HB ILE 84 HB ILE 84 -6.588 21.874 4.065 642 HG12 ILE 84 2HG1 ILE 84 -6.139 19.928 6.321 643 HG13 ILE 84 3HG1 ILE 84 -4.887 21.053 5.807 644 HG21 ILE 84 1HG2 ILE 84 -7.836 19.179 4.508 645 HG22 ILE 84 2HG2 ILE 84 -8.482 20.644 5.246 646 HG23 ILE 84 3HG2 ILE 84 -8.404 20.502 3.489 647 HD11 ILE 84 1HD1 ILE 84 -6.024 22.883 6.584 648 HD12 ILE 84 2HD1 ILE 84 -7.596 22.092 6.464 649 HD13 ILE 84 3HD1 ILE 84 -6.487 21.659 7.765 650 H VAL 85 H VAL 85 -5.741 21.961 1.811 651 HA VAL 85 HA VAL 85 -7.769 21.120 0.123 652 HB VAL 85 HB VAL 85 -5.365 22.743 -0.722 653 HG11 VAL 85 1HG1 VAL 85 -7.998 22.133 -1.926 654 HG12 VAL 85 2HG1 VAL 85 -7.418 23.794 -2.072 655 HG13 VAL 85 3HG1 VAL 85 -6.446 22.461 -2.695 656 HG21 VAL 85 1HG2 VAL 85 -6.024 24.343 0.668 657 HG22 VAL 85 2HG2 VAL 85 -7.603 24.376 -0.119 658 HG23 VAL 85 3HG2 VAL 85 -7.327 23.311 1.260 659 H THR 86 H THR 86 -4.281 20.540 -0.136 660 HA THR 86 HA THR 86 -4.294 19.234 -2.614 661 HB THR 86 HB THR 86 -2.419 18.885 -0.269 662 HG1 THR 86 HG1 THR 86 -2.470 20.982 -1.252 663 HG21 THR 86 1HG2 THR 86 -0.893 18.165 -2.300 664 HG22 THR 86 2HG2 THR 86 -2.441 17.692 -3.000 665 HG23 THR 86 3HG2 THR 86 -1.915 16.994 -1.469 666 H LEU 87 H LEU 87 -4.728 17.990 0.668 667 HA LEU 87 HA LEU 87 -4.687 15.258 0.090 668 HB2 LEU 87 2HB LEU 87 -5.722 16.964 2.260 669 HB3 LEU 87 3HB LEU 87 -6.464 15.371 2.121 670 HG LEU 87 HG LEU 87 -4.519 15.609 3.738 671 HD11 LEU 87 1HD1 LEU 87 -3.772 13.406 3.326 672 HD12 LEU 87 2HD1 LEU 87 -4.123 13.528 1.603 673 HD13 LEU 87 3HD1 LEU 87 -5.444 13.469 2.771 674 HD21 LEU 87 1HD2 LEU 87 -2.407 15.997 3.026 675 HD22 LEU 87 2HD2 LEU 87 -3.248 16.860 1.738 676 HD23 LEU 87 3HD2 LEU 87 -2.670 15.216 1.465 677 H LYS 88 H LYS 88 -7.399 17.547 0.122 678 HA LYS 88 HA LYS 88 -9.341 15.587 -0.617 679 HB2 LYS 88 2HB LYS 88 -9.556 18.586 -0.905 680 HB3 LYS 88 3HB LYS 88 -10.878 17.430 -0.810 681 HG2 LYS 88 2HG LYS 88 -10.316 16.926 1.489 682 HG3 LYS 88 3HG LYS 88 -8.922 18.005 1.406 683 HD2 LYS 88 2HD LYS 88 -10.354 19.915 1.101 684 HD3 LYS 88 3HD LYS 88 -11.778 18.879 0.981 685 HE2 LYS 88 2HE LYS 88 -11.567 18.220 3.275 686 HE3 LYS 88 3HE LYS 88 -10.012 19.039 3.418 687 HZ1 LYS 88 1HZ LYS 88 -11.084 21.146 3.165 688 HZ2 LYS 88 2HZ LYS 88 -11.883 20.294 4.388 689 HZ3 LYS 88 3HZ LYS 88 -12.579 20.419 2.851 690 H VAL 89 H VAL 89 -7.928 18.341 -2.392 691 HA VAL 89 HA VAL 89 -9.044 17.900 -4.865 692 HB VAL 89 HB VAL 89 -6.235 18.861 -4.299 693 HG11 VAL 89 1HG1 VAL 89 -6.064 18.582 -6.537 694 HG12 VAL 89 2HG1 VAL 89 -7.812 18.603 -6.784 695 HG13 VAL 89 3HG1 VAL 89 -6.933 20.117 -6.564 696 HG21 VAL 89 1HG2 VAL 89 -8.385 20.031 -3.331 697 HG22 VAL 89 2HG2 VAL 89 -7.062 20.979 -4.009 698 HG23 VAL 89 3HG2 VAL 89 -8.506 20.666 -4.972 699 H PHE 90 H PHE 90 -6.315 16.263 -3.376 700 HA PHE 90 HA PHE 90 -5.631 14.807 -5.766 701 HB2 PHE 90 2HB PHE 90 -3.897 15.379 -4.133 702 HB3 PHE 90 3HB PHE 90 -4.728 14.434 -2.903 703 HD1 PHE 90 HD1 PHE 90 -2.953 14.202 -6.138 704 HD2 PHE 90 HD2 PHE 90 -4.376 12.123 -2.707 705 HE1 PHE 90 HE1 PHE 90 -1.688 12.208 -6.827 706 HE2 PHE 90 HE2 PHE 90 -3.113 10.125 -3.390 707 HZ PHE 90 HZ PHE 90 -1.765 10.166 -5.452 708 H ALA 91 H ALA 91 -7.550 14.275 -2.892 709 HA ALA 91 HA ALA 91 -7.852 11.465 -3.191 710 HB1 ALA 91 1HB ALA 91 -9.543 11.623 -1.508 711 HB2 ALA 91 2HB ALA 91 -8.238 12.730 -1.076 712 HB3 ALA 91 3HB ALA 91 -9.728 13.356 -1.783 713 H VAL 92 H VAL 92 -9.917 14.227 -4.069 714 HA VAL 92 HA VAL 92 -11.937 12.616 -5.274 715 HB VAL 92 HB VAL 92 -11.410 15.547 -5.774 716 HG11 VAL 92 1HG1 VAL 92 -14.147 14.992 -5.750 717 HG12 VAL 92 2HG1 VAL 92 -13.143 15.357 -7.155 718 HG13 VAL 92 3HG1 VAL 92 -13.413 13.681 -6.673 719 HG21 VAL 92 1HG2 VAL 92 -12.900 14.182 -3.543 720 HG22 VAL 92 2HG2 VAL 92 -11.557 15.318 -3.417 721 HG23 VAL 92 3HG2 VAL 92 -13.136 15.878 -3.965 722 H ALA 93 H ALA 93 -9.366 14.686 -6.610 723 HA ALA 93 HA ALA 93 -9.902 13.960 -9.314 724 HB1 ALA 93 1HB ALA 93 -7.345 15.133 -8.243 725 HB2 ALA 93 2HB ALA 93 -7.985 15.244 -9.883 726 HB3 ALA 93 3HB ALA 93 -8.795 16.085 -8.562 727 H GLY 94 H GLY 94 -8.326 12.383 -6.763 728 HA2 GLY 94 2HA GLY 94 -6.682 10.771 -8.593 729 HA3 GLY 94 3HA GLY 94 -6.500 10.838 -6.846 730 H LEU 95 H LEU 95 -8.252 9.871 -5.548 731 HA LEU 95 HA LEU 95 -8.781 7.241 -6.343 732 HB2 LEU 95 2HB LEU 95 -9.898 8.988 -4.176 733 HB3 LEU 95 3HB LEU 95 -10.474 7.341 -4.413 734 HG LEU 95 HG LEU 95 -8.855 7.355 -2.646 735 HD11 LEU 95 1HD1 LEU 95 -8.857 5.473 -4.287 736 HD12 LEU 95 2HD1 LEU 95 -7.329 5.702 -3.438 737 HD13 LEU 95 3HD1 LEU 95 -7.503 6.257 -5.103 738 HD21 LEU 95 1HD2 LEU 95 -6.797 8.369 -2.698 739 HD22 LEU 95 2HD2 LEU 95 -7.738 9.486 -3.688 740 HD23 LEU 95 3HD2 LEU 95 -6.684 8.298 -4.457 741 H LEU 96 H LEU 96 -10.963 10.047 -6.170 742 HA LEU 96 HA LEU 96 -13.157 8.613 -7.330 743 HB2 LEU 96 2HB LEU 96 -12.860 10.960 -5.897 744 HB3 LEU 96 3HB LEU 96 -13.316 11.509 -7.509 745 HG LEU 96 HG LEU 96 -14.899 9.479 -5.943 746 HD11 LEU 96 1HD1 LEU 96 -15.237 11.263 -4.573 747 HD12 LEU 96 2HD1 LEU 96 -16.446 11.623 -5.805 748 HD13 LEU 96 3HD1 LEU 96 -14.887 12.445 -5.835 749 HD21 LEU 96 1HD2 LEU 96 -15.223 10.919 -8.528 750 HD22 LEU 96 2HD2 LEU 96 -16.662 10.556 -7.575 751 HD23 LEU 96 3HD2 LEU 96 -15.604 9.249 -8.108 752 H ASN 97 H ASN 97 -10.359 9.821 -8.617 753 HA ASN 97 HA ASN 97 -9.645 10.378 -10.708 754 HB2 ASN 97 2HB ASN 97 -10.754 8.030 -10.950 755 HB3 ASN 97 3HB ASN 97 -12.010 8.903 -11.823 756 HD21 ASN 97 1HD2 ASN 97 -11.631 8.100 -13.819 757 HD22 ASN 97 2HD2 ASN 97 -10.173 8.366 -14.707 758 H MET 98 H MET 98 -11.552 12.183 -9.422 759 HA MET 98 HA MET 98 -13.297 13.178 -11.478 760 HB2 MET 98 2HB MET 98 -13.318 13.379 -8.777 761 HB3 MET 98 3HB MET 98 -12.618 14.935 -9.202 762 HG2 MET 98 2HG MET 98 -14.619 15.727 -9.684 763 HG3 MET 98 3HG MET 98 -14.842 14.471 -10.900 764 HE1 MET 98 1HE MET 98 -16.998 14.354 -10.903 765 HE2 MET 98 2HE MET 98 -17.837 13.116 -9.970 766 HE3 MET 98 3HE MET 98 -17.988 14.815 -9.518 767 H THR 99 H THR 99 -13.155 15.723 -11.777 768 HA THR 99 HA THR 99 -10.368 16.453 -12.363 769 HB THR 99 HB THR 99 -12.545 17.209 -14.280 770 HG1 THR 99 HG1 THR 99 -12.748 15.134 -14.693 771 HG21 THR 99 1HG2 THR 99 -10.815 17.662 -15.757 772 HG22 THR 99 2HG2 THR 99 -9.694 16.576 -14.937 773 HG23 THR 99 3HG2 THR 99 -10.111 18.127 -14.210 774 H VAL 100 H VAL 100 -11.030 17.524 -10.201 775 HA VAL 100 HA VAL 100 -12.810 19.619 -9.985 776 HB VAL 100 HB VAL 100 -11.166 20.589 -8.305 777 HG11 VAL 100 1HG1 VAL 100 -12.628 18.084 -8.254 778 HG12 VAL 100 2HG1 VAL 100 -11.301 18.110 -7.089 779 HG13 VAL 100 3HG1 VAL 100 -12.540 19.365 -7.045 780 HG21 VAL 100 1HG2 VAL 100 -9.323 19.111 -9.683 781 HG22 VAL 100 2HG2 VAL 100 -9.089 19.778 -8.068 782 HG23 VAL 100 3HG2 VAL 100 -9.621 18.108 -8.263 783 H SER 101 H SER 101 -12.798 21.782 -10.445 784 HA SER 101 HA SER 101 -11.090 22.625 -12.600 785 HB2 SER 101 2HB SER 101 -13.324 23.978 -11.086 786 HB3 SER 101 3HB SER 101 -12.409 24.791 -12.354 787 HG SER 101 HG SER 101 -14.489 23.463 -12.800 788 H THR 102 H THR 102 -11.466 23.399 -9.182 789 HA THR 102 HA THR 102 -8.808 24.605 -9.201 790 HB THR 102 HB THR 102 -9.429 26.605 -8.092 791 HG1 THR 102 HG1 THR 102 -11.235 26.782 -6.981 792 HG21 THR 102 1HG2 THR 102 -11.604 26.282 -10.148 793 HG22 THR 102 2HG2 THR 102 -9.902 26.429 -10.589 794 HG23 THR 102 3HG2 THR 102 -10.706 27.738 -9.723 795 H ALA 103 H ALA 103 -7.877 24.816 -7.056 796 HA ALA 103 HA ALA 103 -8.127 22.562 -5.481 797 HB1 ALA 103 1HB ALA 103 -6.564 24.895 -5.464 798 HB2 ALA 103 2HB ALA 103 -7.266 24.755 -3.851 799 HB3 ALA 103 3HB ALA 103 -6.322 23.424 -4.521 800 H ALA 104 H ALA 104 -9.696 25.710 -5.105 801 HA ALA 104 HA ALA 104 -10.917 25.185 -2.615 802 HB1 ALA 104 1HB ALA 104 -11.159 27.222 -4.725 803 HB2 ALA 104 2HB ALA 104 -12.595 26.987 -3.726 804 HB3 ALA 104 3HB ALA 104 -11.055 27.403 -2.973 805 H ALA 105 H ALA 105 -12.004 24.717 -5.949 806 HA ALA 105 HA ALA 105 -14.652 24.010 -5.451 807 HB1 ALA 105 1HB ALA 105 -14.244 22.559 -7.611 808 HB2 ALA 105 2HB ALA 105 -14.260 24.322 -7.683 809 HB3 ALA 105 3HB ALA 105 -12.725 23.456 -7.649 810 H ALA 106 H ALA 106 -11.725 22.022 -5.458 811 HA ALA 106 HA ALA 106 -13.012 19.533 -5.108 812 HB1 ALA 106 1HB ALA 106 -10.943 18.692 -5.207 813 HB2 ALA 106 2HB ALA 106 -10.434 20.344 -5.556 814 HB3 ALA 106 3HB ALA 106 -10.361 19.729 -3.905 815 H GLU 107 H GLU 107 -11.509 21.761 -2.773 816 HA GLU 107 HA GLU 107 -12.043 20.221 -0.482 817 HB2 GLU 107 2HB GLU 107 -10.423 21.973 -0.344 818 HB3 GLU 107 3HB GLU 107 -11.594 23.180 -0.855 819 HG2 GLU 107 2HG GLU 107 -12.516 21.833 1.506 820 HG3 GLU 107 3HG GLU 107 -10.895 22.478 1.753 821 H ASN 108 H ASN 108 -13.927 22.678 -2.166 822 HA ASN 108 HA ASN 108 -15.950 23.003 -0.244 823 HB2 ASN 108 2HB ASN 108 -15.378 24.172 -2.634 824 HB3 ASN 108 3HB ASN 108 -16.778 23.198 -3.070 825 HD21 ASN 108 1HD2 ASN 108 -18.709 24.022 -2.694 826 HD22 ASN 108 2HD2 ASN 108 -19.051 25.364 -1.661 827 H MET 109 H MET 109 -15.616 20.744 -2.944 828 HA MET 109 HA MET 109 -18.189 19.573 -2.638 829 HB2 MET 109 2HB MET 109 -16.460 19.510 -4.636 830 HB3 MET 109 3HB MET 109 -15.916 18.046 -3.829 831 HG2 MET 109 2HG MET 109 -18.806 18.456 -4.476 832 HG3 MET 109 3HG MET 109 -17.677 17.865 -5.692 833 HE1 MET 109 1HE MET 109 -17.135 14.476 -5.263 834 HE2 MET 109 2HE MET 109 -16.418 16.028 -5.698 835 HE3 MET 109 3HE MET 109 -15.919 15.210 -4.216 836 H TYR 110 H TYR 110 -14.950 18.712 -1.497 837 HA TYR 110 HA TYR 110 -15.496 16.224 -0.399 838 HB2 TYR 110 2HB TYR 110 -13.292 17.788 -0.537 839 HB3 TYR 110 3HB TYR 110 -13.686 17.961 1.170 840 HD1 TYR 110 HD1 TYR 110 -12.985 15.446 -1.471 841 HD2 TYR 110 HD2 TYR 110 -13.154 16.260 2.702 842 HE1 TYR 110 HE1 TYR 110 -11.909 13.282 -1.011 843 HE2 TYR 110 HE2 TYR 110 -12.078 14.099 3.173 844 HH TYR 110 HH TYR 110 -10.586 12.227 0.773 845 H SER 111 H SER 111 -15.848 19.437 1.055 846 HA SER 111 HA SER 111 -16.864 18.353 3.529 847 HB2 SER 111 2HB SER 111 -17.174 21.242 2.847 848 HB3 SER 111 3HB SER 111 -16.709 20.490 4.373 849 HG SER 111 HG SER 111 -14.799 21.154 3.730 850 H GLN 112 H GLN 112 -18.155 19.807 0.610 851 HA GLN 112 HA GLN 112 -20.743 20.387 1.422 852 HB2 GLN 112 2HB GLN 112 -19.974 21.078 -0.744 853 HB3 GLN 112 3HB GLN 112 -19.709 19.411 -1.241 854 HG2 GLN 112 2HG GLN 112 -22.004 18.980 -1.414 855 HG3 GLN 112 3HG GLN 112 -22.429 20.426 -0.501 856 HE21 GLN 112 1HE2 GLN 112 -21.955 19.092 -3.557 857 HE22 GLN 112 2HE2 GLN 112 -22.062 20.544 -4.486 858 H MET 113 H MET 113 -19.300 17.311 0.533 859 HA MET 113 HA MET 113 -21.834 15.917 0.640 860 HB2 MET 113 2HB MET 113 -19.247 15.398 -0.435 861 HB3 MET 113 3HB MET 113 -19.633 14.106 0.695 862 HG2 MET 113 2HG MET 113 -21.963 14.402 -0.735 863 HG3 MET 113 3HG MET 113 -20.707 14.662 -1.943 864 HE1 MET 113 1HE MET 113 -20.411 11.694 -3.335 865 HE2 MET 113 2HE MET 113 -19.724 13.301 -3.098 866 HE3 MET 113 3HE MET 113 -18.854 11.875 -2.528 867 H GLY 114 H GLY 114 -19.222 16.679 2.770 868 HA2 GLY 114 2HA GLY 114 -19.611 16.558 5.150 869 HA3 GLY 114 3HA GLY 114 -20.547 15.097 4.875 870 H LEU 115 H LEU 115 -17.521 15.595 3.237 871 HA LEU 115 HA LEU 115 -16.410 13.314 4.688 872 HB2 LEU 115 2HB LEU 115 -15.290 14.704 2.264 873 HB3 LEU 115 3HB LEU 115 -14.825 13.130 2.904 874 HG LEU 115 HG LEU 115 -17.611 13.082 2.290 875 HD11 LEU 115 1HD1 LEU 115 -15.851 14.366 0.249 876 HD12 LEU 115 2HD1 LEU 115 -17.517 14.740 0.693 877 HD13 LEU 115 3HD1 LEU 115 -17.161 13.301 -0.263 878 HD21 LEU 115 1HD2 LEU 115 -16.488 11.058 2.295 879 HD22 LEU 115 2HD2 LEU 115 -15.126 11.692 1.372 880 HD23 LEU 115 3HD2 LEU 115 -16.669 11.387 0.572 881 H ASP 116 H ASP 116 -15.911 16.724 4.164 882 HA ASP 116 HA ASP 116 -13.275 16.959 5.092 883 HB2 ASP 116 2HB ASP 116 -14.262 18.821 3.970 884 HB3 ASP 116 3HB ASP 116 -15.590 18.896 5.123 885 H THR 117 H THR 117 -16.285 16.533 6.774 886 HA THR 117 HA THR 117 -16.778 16.147 8.963 887 HB THR 117 HB THR 117 -13.840 15.990 9.586 888 HG1 THR 117 HG1 THR 117 -15.434 14.227 8.068 889 HG21 THR 117 1HG2 THR 117 -14.623 15.289 11.550 890 HG22 THR 117 2HG2 THR 117 -15.353 13.904 10.736 891 HG23 THR 117 3HG2 THR 117 -16.280 15.389 10.958 892 H ARG 118 H ARG 118 -17.323 18.526 8.745 893 HA ARG 118 HA ARG 118 -16.135 19.923 10.989 894 HB2 ARG 118 2HB ARG 118 -14.909 20.495 8.746 895 HB3 ARG 118 3HB ARG 118 -16.338 21.471 8.434 896 HG2 ARG 118 2HG ARG 118 -15.467 22.040 11.067 897 HG3 ARG 118 3HG ARG 118 -14.061 22.102 10.002 898 HD2 ARG 118 2HD ARG 118 -16.643 23.482 9.326 899 HD3 ARG 118 3HD ARG 118 -15.399 24.254 10.309 900 HE ARG 118 HE ARG 118 -14.019 23.470 8.136 901 HH11 ARG 118 1HH1 ARG 118 -17.001 25.226 8.523 902 HH12 ARG 118 2HH1 ARG 118 -16.800 26.145 7.068 903 HH21 ARG 118 1HH2 ARG 118 -13.743 24.673 6.219 904 HH22 ARG 118 2HH2 ARG 118 -14.948 25.829 5.757 905 HA PRO 119 HA PRO 119 -20.735 20.417 10.411 906 HB2 PRO 119 2HB PRO 119 -21.386 19.626 12.925 907 HB3 PRO 119 3HB PRO 119 -21.194 18.493 11.580 908 HG2 PRO 119 2HG PRO 119 -19.261 19.199 13.755 909 HG3 PRO 119 3HG PRO 119 -19.655 17.606 13.081 910 HD2 PRO 119 2HD PRO 119 -17.434 18.979 12.368 911 HD3 PRO 119 3HD PRO 119 -18.294 17.905 11.246 Start of MODEL 3 1 H1 GLY 2 H GLY 2 4.290 -2.827 -0.702 2 HA2 GLY 2 2HA GLY 2 5.892 -0.800 0.610 3 HA3 GLY 2 3HA GLY 2 6.223 -1.551 -0.945 4 H ASN 3 H ASN 3 6.675 1.072 -0.790 5 HA ASN 3 HA ASN 3 4.350 2.598 -1.557 6 HB2 ASN 3 2HB ASN 3 7.255 3.190 -1.153 7 HB3 ASN 3 3HB ASN 3 6.279 4.320 -2.086 8 HD21 ASN 3 1HD2 ASN 3 6.189 5.987 -0.698 9 HD22 ASN 3 2HD2 ASN 3 5.482 5.911 0.877 10 H GLY 4 H GLY 4 4.138 3.722 -3.587 11 HA2 GLY 4 2HA GLY 4 4.880 4.049 -5.872 12 HA3 GLY 4 3HA GLY 4 5.588 2.441 -5.815 13 H GLN 5 H GLN 5 3.046 4.202 -6.967 14 HA GLN 5 HA GLN 5 1.170 1.950 -6.932 15 HB2 GLN 5 2HB GLN 5 0.910 4.881 -7.214 16 HB3 GLN 5 3HB GLN 5 -0.184 3.920 -8.201 17 HG2 GLN 5 2HG GLN 5 0.096 3.314 -5.295 18 HG3 GLN 5 3HG GLN 5 -0.887 4.681 -5.817 19 HE21 GLN 5 1HE2 GLN 5 -0.472 1.208 -6.061 20 HE22 GLN 5 2HE2 GLN 5 -2.106 0.853 -6.491 21 H GLY 6 H GLY 6 2.616 4.262 -9.227 22 HA2 GLY 6 2HA GLY 6 3.604 3.479 -11.281 23 HA3 GLY 6 3HA GLY 6 2.443 2.160 -11.284 24 H ARG 7 H ARG 7 0.650 2.375 -12.469 25 HA ARG 7 HA ARG 7 0.328 4.559 -14.216 26 HB2 ARG 7 2HB ARG 7 -1.018 2.031 -13.680 27 HB3 ARG 7 3HB ARG 7 -2.145 3.305 -14.128 28 HG2 ARG 7 2HG ARG 7 0.278 3.032 -15.795 29 HG3 ARG 7 3HG ARG 7 -0.923 1.744 -15.910 30 HD2 ARG 7 2HD ARG 7 -2.196 4.325 -15.940 31 HD3 ARG 7 3HD ARG 7 -0.958 4.234 -17.191 32 HE ARG 7 HE ARG 7 -2.520 1.898 -17.260 33 HH11 ARG 7 1HH1 ARG 7 -2.735 5.302 -17.961 34 HH12 ARG 7 2HH1 ARG 7 -3.938 5.105 -19.192 35 HH21 ARG 7 1HH2 ARG 7 -4.103 1.626 -18.880 36 HH22 ARG 7 2HH2 ARG 7 -4.716 3.014 -19.713 37 H ASP 8 H ASP 8 -1.413 3.631 -11.267 38 HA ASP 8 HA ASP 8 -3.307 5.702 -11.311 39 HB2 ASP 8 2HB ASP 8 -2.377 3.697 -9.399 40 HB3 ASP 8 3HB ASP 8 -2.887 5.195 -8.625 41 H TRP 9 H TRP 9 -0.023 5.557 -10.066 42 HA TRP 9 HA TRP 9 -0.057 7.971 -8.616 43 HB2 TRP 9 2HB TRP 9 1.714 6.030 -8.716 44 HB3 TRP 9 3HB TRP 9 2.430 7.019 -9.985 45 HD1 TRP 9 HD1 TRP 9 4.398 8.298 -8.980 46 HE1 TRP 9 HE1 TRP 9 4.839 9.603 -6.806 47 HE3 TRP 9 HE3 TRP 9 -0.047 7.444 -6.603 48 HZ2 TRP 9 HZ2 TRP 9 3.482 10.193 -4.401 49 HZ3 TRP 9 HZ3 TRP 9 -0.396 8.414 -4.369 50 HH2 TRP 9 HH2 TRP 9 1.334 9.760 -3.292 51 H LYS 10 H LYS 10 1.183 7.283 -11.889 52 HA LYS 10 HA LYS 10 1.772 9.965 -12.526 53 HB2 LYS 10 2HB LYS 10 2.203 7.529 -13.720 54 HB3 LYS 10 3HB LYS 10 1.018 8.262 -14.794 55 HG2 LYS 10 2HG LYS 10 3.161 8.804 -15.638 56 HG3 LYS 10 3HG LYS 10 2.504 10.274 -14.914 57 HD2 LYS 10 2HD LYS 10 4.139 10.374 -13.386 58 HD3 LYS 10 3HD LYS 10 4.029 8.648 -13.032 59 HE2 LYS 10 2HE LYS 10 5.183 9.293 -15.652 60 HE3 LYS 10 3HE LYS 10 6.128 9.860 -14.276 61 HZ1 LYS 10 1HZ LYS 10 5.129 7.086 -14.385 62 HZ2 LYS 10 2HZ LYS 10 6.421 7.712 -13.492 63 HZ3 LYS 10 3HZ LYS 10 6.565 7.519 -15.166 64 H MET 11 H MET 11 -1.097 7.969 -13.070 65 HA MET 11 HA MET 11 -2.510 9.850 -14.633 66 HB2 MET 11 2HB MET 11 -2.985 7.349 -14.319 67 HB3 MET 11 3HB MET 11 -3.805 7.813 -12.835 68 HG2 MET 11 2HG MET 11 -5.255 9.316 -14.186 69 HG3 MET 11 3HG MET 11 -4.505 8.652 -15.635 70 HE1 MET 11 1HE MET 11 -6.327 6.762 -16.919 71 HE2 MET 11 2HE MET 11 -4.628 6.548 -16.495 72 HE3 MET 11 3HE MET 11 -5.794 5.274 -16.136 73 H ALA 12 H ALA 12 -2.257 9.319 -11.167 74 HA ALA 12 HA ALA 12 -4.374 10.984 -10.351 75 HB1 ALA 12 1HB ALA 12 -3.272 9.357 -8.876 76 HB2 ALA 12 2HB ALA 12 -1.823 10.362 -8.867 77 HB3 ALA 12 3HB ALA 12 -3.321 10.971 -8.165 78 H ILE 13 H ILE 13 -0.883 11.663 -10.607 79 HA ILE 13 HA ILE 13 -1.167 14.426 -9.980 80 HB ILE 13 HB ILE 13 1.119 13.006 -11.352 81 HG12 ILE 13 2HG1 ILE 13 0.691 13.728 -8.444 82 HG13 ILE 13 3HG1 ILE 13 0.636 12.104 -9.120 83 HG21 ILE 13 1HG2 ILE 13 0.628 15.768 -10.951 84 HG22 ILE 13 2HG2 ILE 13 1.937 15.287 -9.872 85 HG23 ILE 13 3HG2 ILE 13 2.071 14.993 -11.605 86 HD11 ILE 13 1HD1 ILE 13 2.749 12.118 -8.290 87 HD12 ILE 13 2HD1 ILE 13 3.069 12.734 -9.911 88 HD13 ILE 13 3HD1 ILE 13 2.961 13.849 -8.550 89 H LYS 14 H LYS 14 -1.014 12.581 -12.974 90 HA LYS 14 HA LYS 14 -0.648 14.637 -14.802 91 HB2 LYS 14 2HB LYS 14 -1.916 11.945 -14.901 92 HB3 LYS 14 3HB LYS 14 -2.221 13.039 -16.244 93 HG2 LYS 14 2HG LYS 14 0.573 13.037 -15.629 94 HG3 LYS 14 3HG LYS 14 0.004 11.379 -15.838 95 HD2 LYS 14 2HD LYS 14 0.507 11.930 -18.009 96 HD3 LYS 14 3HD LYS 14 -1.194 12.397 -17.944 97 HE2 LYS 14 2HE LYS 14 -0.635 14.694 -17.672 98 HE3 LYS 14 3HE LYS 14 1.065 14.312 -17.404 99 HZ1 LYS 14 1HZ LYS 14 0.764 15.129 -19.624 100 HZ2 LYS 14 2HZ LYS 14 -0.439 13.985 -19.942 101 HZ3 LYS 14 3HZ LYS 14 1.160 13.485 -19.704 102 H ARG 15 H ARG 15 -3.644 13.434 -13.344 103 HA ARG 15 HA ARG 15 -5.332 15.220 -14.800 104 HB2 ARG 15 2HB ARG 15 -5.881 13.673 -12.262 105 HB3 ARG 15 3HB ARG 15 -7.092 14.470 -13.255 106 HG2 ARG 15 2HG ARG 15 -5.413 12.598 -14.737 107 HG3 ARG 15 3HG ARG 15 -6.355 11.849 -13.444 108 HD2 ARG 15 2HD ARG 15 -7.760 11.751 -15.310 109 HD3 ARG 15 3HD ARG 15 -8.345 13.142 -14.400 110 HE ARG 15 HE ARG 15 -6.431 13.954 -16.316 111 HH11 ARG 15 1HH1 ARG 15 -9.724 12.865 -16.027 112 HH12 ARG 15 2HH1 ARG 15 -10.259 13.688 -17.455 113 HH21 ARG 15 1HH2 ARG 15 -7.122 15.042 -18.198 114 HH22 ARG 15 2HH2 ARG 15 -8.778 14.924 -18.689 115 H CYS 16 H CYS 16 -3.982 15.190 -11.524 116 HA CYS 16 HA CYS 16 -5.265 17.460 -10.534 117 HB2 CYS 16 2HB CYS 16 -3.649 15.688 -9.409 118 HB3 CYS 16 3HB CYS 16 -2.434 16.914 -9.752 119 HG CYS 16 HG CYS 16 -4.312 18.854 -8.420 120 H SER 17 H SER 17 -2.712 17.152 -12.826 121 HA SER 17 HA SER 17 -1.413 19.605 -12.557 122 HB2 SER 17 2HB SER 17 -0.807 17.618 -14.067 123 HB3 SER 17 3HB SER 17 -1.943 18.307 -15.227 124 HG SER 17 HG SER 17 -0.661 20.044 -15.477 125 H ASN 18 H ASN 18 -4.559 18.857 -13.746 126 HA ASN 18 HA ASN 18 -4.843 21.468 -15.030 127 HB2 ASN 18 2HB ASN 18 -6.780 19.147 -14.861 128 HB3 ASN 18 3HB ASN 18 -7.033 20.625 -15.786 129 HD21 ASN 18 1HD2 ASN 18 -6.822 17.774 -16.580 130 HD22 ASN 18 2HD2 ASN 18 -5.596 17.737 -17.798 131 H VAL 19 H VAL 19 -4.558 21.126 -12.106 132 HA VAL 19 HA VAL 19 -7.149 22.248 -11.257 133 HB VAL 19 HB VAL 19 -5.097 20.806 -9.571 134 HG11 VAL 19 1HG1 VAL 19 -5.990 22.116 -7.965 135 HG12 VAL 19 2HG1 VAL 19 -7.441 22.467 -8.907 136 HG13 VAL 19 3HG1 VAL 19 -7.303 20.941 -8.032 137 HG21 VAL 19 1HG2 VAL 19 -7.785 19.994 -10.648 138 HG22 VAL 19 2HG2 VAL 19 -6.231 19.191 -10.872 139 HG23 VAL 19 3HG2 VAL 19 -7.012 19.173 -9.291 140 H ALA 20 H ALA 20 -7.162 24.305 -10.641 141 HA ALA 20 HA ALA 20 -4.805 25.891 -10.694 142 HB1 ALA 20 1HB ALA 20 -6.246 27.738 -10.082 143 HB2 ALA 20 2HB ALA 20 -7.021 26.752 -11.323 144 HB3 ALA 20 3HB ALA 20 -7.536 26.618 -9.642 145 H VAL 21 H VAL 21 -3.613 26.781 -9.057 146 HA VAL 21 HA VAL 21 -4.378 26.253 -6.289 147 HB VAL 21 HB VAL 21 -2.064 25.448 -5.768 148 HG11 VAL 21 1HG1 VAL 21 -2.469 23.149 -6.500 149 HG12 VAL 21 2HG1 VAL 21 -3.951 23.905 -5.910 150 HG13 VAL 21 3HG1 VAL 21 -3.680 23.725 -7.644 151 HG21 VAL 21 1HG2 VAL 21 -0.959 26.275 -7.786 152 HG22 VAL 21 2HG2 VAL 21 -0.706 24.541 -7.585 153 HG23 VAL 21 3HG2 VAL 21 -1.878 25.131 -8.763 154 H GLY 22 H GLY 22 -4.366 28.682 -7.702 155 HA2 GLY 22 2HA GLY 22 -1.949 30.063 -6.763 156 HA3 GLY 22 3HA GLY 22 -3.111 30.700 -7.918 157 H VAL 23 H VAL 23 -2.566 32.500 -6.196 158 HA VAL 23 HA VAL 23 -4.666 32.368 -4.129 159 HB VAL 23 HB VAL 23 -2.393 32.426 -3.160 160 HG11 VAL 23 1HG1 VAL 23 -0.839 34.060 -3.584 161 HG12 VAL 23 2HG1 VAL 23 -1.604 33.925 -5.167 162 HG13 VAL 23 3HG1 VAL 23 -2.052 35.240 -4.081 163 HG21 VAL 23 1HG2 VAL 23 -3.945 34.974 -2.710 164 HG22 VAL 23 2HG2 VAL 23 -4.313 33.414 -1.974 165 HG23 VAL 23 3HG2 VAL 23 -2.797 34.234 -1.593 166 H GLY 24 H GLY 24 -3.101 34.276 -6.616 167 HA2 GLY 24 2HA GLY 24 -5.181 35.666 -7.571 168 HA3 GLY 24 3HA GLY 24 -4.796 36.583 -6.122 169 H GLY 25 H GLY 25 -3.374 35.338 -9.128 170 HA2 GLY 25 2HA GLY 25 -2.356 37.626 -10.148 171 HA3 GLY 25 3HA GLY 25 -1.144 37.171 -8.960 172 H LYS 26 H LYS 26 -0.293 34.912 -9.154 173 HA LYS 26 HA LYS 26 0.461 34.452 -11.903 174 HB2 LYS 26 2HB LYS 26 1.279 33.238 -9.274 175 HB3 LYS 26 3HB LYS 26 1.802 32.546 -10.803 176 HG2 LYS 26 2HG LYS 26 3.377 34.089 -11.065 177 HG3 LYS 26 3HG LYS 26 2.255 35.404 -10.705 178 HD2 LYS 26 2HD LYS 26 4.044 35.394 -9.078 179 HD3 LYS 26 3HD LYS 26 2.531 34.934 -8.295 180 HE2 LYS 26 2HE LYS 26 3.164 32.702 -8.110 181 HE3 LYS 26 3HE LYS 26 4.395 32.848 -9.364 182 HZ1 LYS 26 1HZ LYS 26 5.040 32.774 -6.846 183 HZ2 LYS 26 2HZ LYS 26 4.703 34.429 -6.916 184 HZ3 LYS 26 3HZ LYS 26 5.887 33.764 -7.924 185 H SER 27 H SER 27 0.047 32.627 -13.126 186 HA SER 27 HA SER 27 -2.267 31.057 -12.240 187 HB2 SER 27 2HB SER 27 -1.124 31.338 -15.029 188 HB3 SER 27 3HB SER 27 -2.644 30.559 -14.592 189 HG SER 27 HG SER 27 -3.568 32.456 -14.367 190 H LYS 28 H LYS 28 -1.291 29.485 -10.993 191 HA LYS 28 HA LYS 28 0.462 27.621 -12.456 192 HB2 LYS 28 2HB LYS 28 1.016 29.028 -10.067 193 HB3 LYS 28 3HB LYS 28 0.763 27.348 -9.614 194 HG2 LYS 28 2HG LYS 28 2.524 26.602 -10.976 195 HG3 LYS 28 3HG LYS 28 2.605 28.135 -11.848 196 HD2 LYS 28 2HD LYS 28 3.308 29.230 -9.723 197 HD3 LYS 28 3HD LYS 28 3.370 27.632 -8.973 198 HE2 LYS 28 2HE LYS 28 4.856 27.257 -11.232 199 HE3 LYS 28 3HE LYS 28 5.241 28.927 -10.820 200 HZ1 LYS 28 1HZ LYS 28 6.735 27.258 -9.795 201 HZ2 LYS 28 2HZ LYS 28 5.424 26.665 -8.908 202 HZ3 LYS 28 3HZ LYS 28 5.960 28.250 -8.665 203 H LYS 29 H LYS 29 0.229 25.387 -11.953 204 HA LYS 29 HA LYS 29 -2.379 24.719 -10.750 205 HB2 LYS 29 2HB LYS 29 -0.949 23.199 -12.936 206 HB3 LYS 29 3HB LYS 29 -2.551 22.859 -12.295 207 HG2 LYS 29 2HG LYS 29 -3.494 24.290 -13.699 208 HG3 LYS 29 3HG LYS 29 -2.380 25.576 -13.233 209 HD2 LYS 29 2HD LYS 29 -0.741 24.063 -14.739 210 HD3 LYS 29 3HD LYS 29 -2.284 23.710 -15.521 211 HE2 LYS 29 2HE LYS 29 -1.276 26.496 -14.964 212 HE3 LYS 29 3HE LYS 29 -1.020 25.649 -16.488 213 HZ1 LYS 29 1HZ LYS 29 -3.433 26.863 -15.426 214 HZ2 LYS 29 2HZ LYS 29 -3.650 25.378 -16.208 215 HZ3 LYS 29 3HZ LYS 29 -2.932 26.670 -17.031 216 H PHE 30 H PHE 30 -2.346 22.170 -10.304 217 HA PHE 30 HA PHE 30 -0.468 21.822 -8.188 218 HB2 PHE 30 2HB PHE 30 -2.869 20.505 -9.148 219 HB3 PHE 30 3HB PHE 30 -1.641 19.334 -8.678 220 HD1 PHE 30 HD1 PHE 30 -0.343 20.370 -6.403 221 HD2 PHE 30 HD2 PHE 30 -4.436 20.765 -7.503 222 HE1 PHE 30 HE1 PHE 30 -0.944 20.686 -4.039 223 HE2 PHE 30 HE2 PHE 30 -5.044 21.083 -5.140 224 HZ PHE 30 HZ PHE 30 -3.297 21.045 -3.404 225 H GLY 31 H GLY 31 1.527 21.036 -8.300 226 HA2 GLY 31 2HA GLY 31 2.248 19.415 -10.662 227 HA3 GLY 31 3HA GLY 31 3.356 20.509 -9.848 228 H GLU 32 H GLU 32 4.163 17.966 -10.290 229 HA GLU 32 HA GLU 32 3.565 16.084 -8.305 230 HB2 GLU 32 2HB GLU 32 5.760 15.068 -8.901 231 HB3 GLU 32 3HB GLU 32 4.742 15.413 -10.292 232 HG2 GLU 32 2HG GLU 32 6.077 17.626 -10.412 233 HG3 GLU 32 3HG GLU 32 7.243 16.776 -9.400 234 H GLY 33 H GLY 33 6.076 18.590 -8.432 235 HA2 GLY 33 2HA GLY 33 7.384 17.931 -6.040 236 HA3 GLY 33 3HA GLY 33 7.372 19.523 -6.785 237 H ASN 34 H ASN 34 4.779 20.291 -6.612 238 HA ASN 34 HA ASN 34 4.562 21.154 -3.949 239 HB2 ASN 34 2HB ASN 34 3.214 21.629 -6.418 240 HB3 ASN 34 3HB ASN 34 1.999 21.290 -5.190 241 HD21 ASN 34 1HD2 ASN 34 3.302 23.738 -6.670 242 HD22 ASN 34 2HD2 ASN 34 3.405 24.908 -5.404 243 H PHE 35 H PHE 35 2.941 18.555 -5.711 244 HA PHE 35 HA PHE 35 1.047 17.827 -3.815 245 HB2 PHE 35 2HB PHE 35 0.930 16.842 -5.982 246 HB3 PHE 35 3HB PHE 35 2.555 16.179 -5.843 247 HD1 PHE 35 HD1 PHE 35 2.278 13.888 -6.039 248 HD2 PHE 35 HD2 PHE 35 -0.248 16.078 -3.404 249 HE1 PHE 35 HE1 PHE 35 1.344 11.777 -5.186 250 HE2 PHE 35 HE2 PHE 35 -1.185 13.971 -2.546 251 HZ PHE 35 HZ PHE 35 -0.389 11.817 -3.436 252 H ARG 36 H ARG 36 4.408 16.742 -4.156 253 HA ARG 36 HA ARG 36 4.393 14.894 -2.043 254 HB2 ARG 36 2HB ARG 36 6.786 16.520 -2.895 255 HB3 ARG 36 3HB ARG 36 6.771 14.907 -2.195 256 HG2 ARG 36 2HG ARG 36 5.227 14.752 -4.530 257 HG3 ARG 36 3HG ARG 36 6.661 15.693 -4.943 258 HD2 ARG 36 2HD ARG 36 7.035 13.311 -5.312 259 HD3 ARG 36 3HD ARG 36 8.085 13.931 -4.039 260 HE ARG 36 HE ARG 36 5.716 12.872 -2.922 261 HH11 ARG 36 1HH1 ARG 36 8.705 11.899 -4.417 262 HH12 ARG 36 2HH1 ARG 36 8.766 10.370 -3.605 263 HH21 ARG 36 1HH2 ARG 36 5.784 10.861 -1.846 264 HH22 ARG 36 2HH2 ARG 36 7.103 9.781 -2.143 265 H TRP 37 H TRP 37 5.542 18.268 -2.101 266 HA TRP 37 HA TRP 37 6.270 18.502 0.557 267 HB2 TRP 37 2HB TRP 37 6.844 20.272 -0.917 268 HB3 TRP 37 3HB TRP 37 5.164 20.528 -1.384 269 HD1 TRP 37 HD1 TRP 37 7.735 21.591 1.146 270 HE1 TRP 37 HE1 TRP 37 6.709 23.330 2.741 271 HE3 TRP 37 HE3 TRP 37 2.829 21.145 -0.217 272 HZ2 TRP 37 HZ2 TRP 37 4.155 24.375 3.343 273 HZ3 TRP 37 HZ3 TRP 37 1.157 22.550 0.917 274 HH2 TRP 37 HH2 TRP 37 1.809 24.129 2.661 275 H ALA 38 H ALA 38 3.090 18.573 -0.891 276 HA ALA 38 HA ALA 38 1.780 19.514 1.499 277 HB1 ALA 38 1HB ALA 38 1.070 19.117 -1.248 278 HB2 ALA 38 2HB ALA 38 -0.120 18.342 -0.203 279 HB3 ALA 38 3HB ALA 38 0.242 20.057 -0.005 280 H ILE 39 H ILE 39 1.425 16.489 -0.366 281 HA ILE 39 HA ILE 39 0.046 15.023 1.507 282 HB ILE 39 HB ILE 39 0.509 14.278 -0.816 283 HG12 ILE 39 2HG1 ILE 39 1.489 12.057 0.913 284 HG13 ILE 39 3HG1 ILE 39 -0.070 12.772 1.307 285 HG21 ILE 39 1HG2 ILE 39 2.987 14.843 -0.622 286 HG22 ILE 39 2HG2 ILE 39 3.159 13.284 0.181 287 HG23 ILE 39 3HG2 ILE 39 2.565 13.360 -1.476 288 HD11 ILE 39 1HD1 ILE 39 -0.114 10.746 -0.182 289 HD12 ILE 39 2HD1 ILE 39 -0.981 12.161 -0.779 290 HD13 ILE 39 3HD1 ILE 39 0.606 11.756 -1.435 291 H ARG 40 H ARG 40 3.498 15.646 1.324 292 HA ARG 40 HA ARG 40 4.219 13.774 3.360 293 HB2 ARG 40 2HB ARG 40 5.778 14.620 1.594 294 HB3 ARG 40 3HB ARG 40 5.774 16.182 2.402 295 HG2 ARG 40 2HG ARG 40 7.472 15.483 3.633 296 HG3 ARG 40 3HG ARG 40 6.391 14.306 4.384 297 HD2 ARG 40 2HD ARG 40 6.953 12.661 2.707 298 HD3 ARG 40 3HD ARG 40 7.933 13.840 1.834 299 HE ARG 40 HE ARG 40 8.759 13.396 4.559 300 HH11 ARG 40 1HH1 ARG 40 9.074 12.371 1.246 301 HH12 ARG 40 2HH1 ARG 40 10.632 11.650 1.482 302 HH21 ARG 40 1HH2 ARG 40 10.810 12.450 4.880 303 HH22 ARG 40 2HH2 ARG 40 11.618 11.695 3.549 304 H MET 41 H MET 41 4.113 17.342 3.317 305 HA MET 41 HA MET 41 4.628 17.769 6.007 306 HB2 MET 41 2HB MET 41 4.642 19.603 4.447 307 HB3 MET 41 3HB MET 41 2.936 19.370 4.085 308 HG2 MET 41 2HG MET 41 2.255 20.476 5.917 309 HG3 MET 41 3HG MET 41 3.573 19.858 6.911 310 HE1 MET 41 1HE MET 41 6.461 21.239 5.556 311 HE2 MET 41 2HE MET 41 6.205 22.247 6.982 312 HE3 MET 41 3HE MET 41 5.737 20.546 7.009 313 H ALA 42 H ALA 42 1.657 16.844 4.412 314 HA ALA 42 HA ALA 42 -0.074 17.363 6.613 315 HB1 ALA 42 1HB ALA 42 -1.483 15.571 5.248 316 HB2 ALA 42 2HB ALA 42 -1.307 17.241 4.708 317 HB3 ALA 42 3HB ALA 42 -0.300 15.976 4.004 318 H ASN 43 H ASN 43 1.478 14.414 5.372 319 HA ASN 43 HA ASN 43 0.405 12.615 7.218 320 HB2 ASN 43 2HB ASN 43 3.098 12.546 5.839 321 HB3 ASN 43 3HB ASN 43 2.351 11.181 6.663 322 HD21 ASN 43 1HD2 ASN 43 3.139 11.321 3.924 323 HD22 ASN 43 2HD2 ASN 43 1.713 11.106 2.970 324 H VAL 44 H VAL 44 3.483 14.400 7.335 325 HA VAL 44 HA VAL 44 4.334 13.433 9.829 326 HB VAL 44 HB VAL 44 5.876 14.569 8.341 327 HG11 VAL 44 1HG1 VAL 44 5.771 16.909 7.858 328 HG12 VAL 44 2HG1 VAL 44 4.203 16.202 7.461 329 HG13 VAL 44 3HG1 VAL 44 4.403 17.127 8.950 330 HG21 VAL 44 1HG2 VAL 44 5.679 14.975 11.092 331 HG22 VAL 44 2HG2 VAL 44 7.115 15.178 10.089 332 HG23 VAL 44 3HG2 VAL 44 6.069 16.559 10.423 333 H SER 45 H SER 45 2.309 16.185 8.950 334 HA SER 45 HA SER 45 2.200 17.414 11.471 335 HB2 SER 45 2HB SER 45 0.258 17.396 9.158 336 HB3 SER 45 3HB SER 45 0.010 18.374 10.605 337 HG SER 45 HG SER 45 2.277 19.126 10.087 338 H THR 46 H THR 46 0.674 14.576 10.235 339 HA THR 46 HA THR 46 -1.240 14.489 12.444 340 HB THR 46 HB THR 46 -1.703 12.177 11.138 341 HG1 THR 46 HG1 THR 46 -0.713 12.191 9.276 342 HG21 THR 46 1HG2 THR 46 -3.464 13.396 9.889 343 HG22 THR 46 2HG2 THR 46 -2.706 14.917 10.362 344 HG23 THR 46 3HG2 THR 46 -3.389 13.852 11.590 345 H GLY 47 H GLY 47 1.843 13.323 11.596 346 HA2 GLY 47 2HA GLY 47 3.321 12.093 12.890 347 HA3 GLY 47 3HA GLY 47 2.034 11.847 14.063 348 H ARG 48 H ARG 48 1.691 11.052 10.673 349 HA ARG 48 HA ARG 48 1.459 8.225 11.434 350 HB2 ARG 48 2HB ARG 48 0.435 9.665 8.980 351 HB3 ARG 48 3HB ARG 48 0.193 7.960 9.335 352 HG2 ARG 48 2HG ARG 48 -0.682 9.508 11.566 353 HG3 ARG 48 3HG ARG 48 -1.412 10.144 10.090 354 HD2 ARG 48 2HD ARG 48 -1.961 7.699 9.546 355 HD3 ARG 48 3HD ARG 48 -1.597 7.378 11.241 356 HE ARG 48 HE ARG 48 -3.418 9.503 11.100 357 HH11 ARG 48 1HH1 ARG 48 -3.262 6.081 10.477 358 HH12 ARG 48 2HH1 ARG 48 -4.943 5.814 10.799 359 HH21 ARG 48 1HH2 ARG 48 -5.633 9.163 11.527 360 HH22 ARG 48 2HH2 ARG 48 -6.291 7.568 11.396 361 H GLU 49 H GLU 49 4.036 9.098 11.242 362 HA GLU 49 HA GLU 49 6.038 8.579 10.296 363 HB2 GLU 49 2HB GLU 49 4.207 6.501 9.351 364 HB3 GLU 49 3HB GLU 49 5.569 6.765 8.271 365 HG2 GLU 49 2HG GLU 49 6.872 6.677 10.607 366 HG3 GLU 49 3HG GLU 49 5.496 5.648 10.999 367 HA PRO 50 HA PRO 50 6.566 11.067 6.724 368 HB2 PRO 50 2HB PRO 50 8.778 9.986 5.579 369 HB3 PRO 50 3HB PRO 50 8.832 10.925 7.076 370 HG2 PRO 50 2HG PRO 50 8.836 7.954 6.702 371 HG3 PRO 50 3HG PRO 50 9.810 8.944 7.804 372 HD2 PRO 50 2HD PRO 50 7.614 7.588 8.620 373 HD3 PRO 50 3HD PRO 50 8.106 9.134 9.344 374 H GLY 51 H GLY 51 7.079 7.620 5.932 375 HA2 GLY 51 2HA GLY 51 6.188 8.009 3.215 376 HA3 GLY 51 3HA GLY 51 6.636 6.481 3.960 377 H ASP 52 H ASP 52 4.051 8.880 3.728 378 HA ASP 52 HA ASP 52 2.127 6.733 4.345 379 HB2 ASP 52 2HB ASP 52 2.446 9.315 5.550 380 HB3 ASP 52 3HB ASP 52 0.885 9.248 4.736 381 H ILE 53 H ILE 53 1.843 6.132 2.196 382 HA ILE 53 HA ILE 53 0.377 8.097 0.568 383 HB ILE 53 HB ILE 53 2.324 6.061 -0.520 384 HG12 ILE 53 2HG1 ILE 53 2.566 9.068 -0.278 385 HG13 ILE 53 3HG1 ILE 53 3.491 7.879 0.632 386 HG21 ILE 53 1HG2 ILE 53 1.956 7.208 -2.659 387 HG22 ILE 53 2HG2 ILE 53 0.470 6.501 -2.026 388 HG23 ILE 53 3HG2 ILE 53 0.748 8.236 -1.889 389 HD11 ILE 53 1HD1 ILE 53 4.153 7.075 -1.793 390 HD12 ILE 53 2HD1 ILE 53 3.766 8.750 -2.183 391 HD13 ILE 53 3HD1 ILE 53 5.002 8.388 -0.979 392 HA PRO 54 HA PRO 54 -2.174 4.284 1.181 393 HB2 PRO 54 2HB PRO 54 -4.493 5.634 1.594 394 HB3 PRO 54 3HB PRO 54 -3.341 5.283 2.889 395 HG2 PRO 54 2HG PRO 54 -3.722 7.808 1.327 396 HG3 PRO 54 3HG PRO 54 -3.458 7.598 3.069 397 HD2 PRO 54 2HD PRO 54 -1.476 8.317 1.370 398 HD3 PRO 54 3HD PRO 54 -1.183 7.334 2.819 399 H GLU 55 H GLU 55 -4.266 3.724 0.026 400 HA GLU 55 HA GLU 55 -4.543 5.151 -2.524 401 HB2 GLU 55 2HB GLU 55 -4.549 3.079 -3.777 402 HB3 GLU 55 3HB GLU 55 -3.048 3.213 -2.873 403 HG2 GLU 55 2HG GLU 55 -4.383 1.814 -1.092 404 HG3 GLU 55 3HG GLU 55 -5.325 1.344 -2.504 405 H THR 56 H THR 56 -6.238 5.391 -0.337 406 HA THR 56 HA THR 56 -8.706 4.333 -1.479 407 HB THR 56 HB THR 56 -9.558 3.438 0.561 408 HG1 THR 56 HG1 THR 56 -8.772 3.996 2.452 409 HG21 THR 56 1HG2 THR 56 -8.061 1.588 0.989 410 HG22 THR 56 2HG2 THR 56 -6.703 2.485 0.310 411 HG23 THR 56 3HG2 THR 56 -8.030 1.971 -0.731 412 H LEU 57 H LEU 57 -10.235 5.851 -1.530 413 HA LEU 57 HA LEU 57 -9.837 8.481 -0.804 414 HB2 LEU 57 2HB LEU 57 -11.580 7.610 -2.357 415 HB3 LEU 57 3HB LEU 57 -12.509 7.096 -0.949 416 HG LEU 57 HG LEU 57 -12.451 9.571 -0.260 417 HD11 LEU 57 1HD1 LEU 57 -10.754 10.340 -1.789 418 HD12 LEU 57 2HD1 LEU 57 -12.285 11.130 -2.167 419 HD13 LEU 57 3HD1 LEU 57 -11.706 9.800 -3.171 420 HD21 LEU 57 1HD2 LEU 57 -14.101 8.153 -2.209 421 HD22 LEU 57 2HD2 LEU 57 -14.202 9.909 -2.335 422 HD23 LEU 57 3HD2 LEU 57 -14.572 9.112 -0.805 423 H ASP 58 H ASP 58 -11.014 5.824 1.118 424 HA ASP 58 HA ASP 58 -12.117 7.367 3.234 425 HB2 ASP 58 2HB ASP 58 -12.546 4.903 2.729 426 HB3 ASP 58 3HB ASP 58 -10.994 4.579 3.496 427 H GLN 59 H GLN 59 -8.924 6.013 2.602 428 HA GLN 59 HA GLN 59 -7.815 6.583 5.142 429 HB2 GLN 59 2HB GLN 59 -6.722 5.908 2.449 430 HB3 GLN 59 3HB GLN 59 -5.622 6.551 3.660 431 HG2 GLN 59 2HG GLN 59 -6.225 4.747 5.180 432 HG3 GLN 59 3HG GLN 59 -7.349 4.107 3.983 433 HE21 GLN 59 1HE2 GLN 59 -6.273 3.756 1.774 434 HE22 GLN 59 2HE2 GLN 59 -4.742 2.953 1.809 435 H LEU 60 H LEU 60 -7.854 8.371 2.083 436 HA LEU 60 HA LEU 60 -6.216 10.503 2.908 437 HB2 LEU 60 2HB LEU 60 -8.246 10.119 0.757 438 HB3 LEU 60 3HB LEU 60 -7.627 11.737 1.076 439 HG LEU 60 HG LEU 60 -6.462 10.638 -0.783 440 HD11 LEU 60 1HD1 LEU 60 -4.270 10.649 1.113 441 HD12 LEU 60 2HD1 LEU 60 -5.351 12.024 1.333 442 HD13 LEU 60 3HD1 LEU 60 -4.605 11.733 -0.237 443 HD21 LEU 60 1HD2 LEU 60 -5.012 8.732 -0.379 444 HD22 LEU 60 2HD2 LEU 60 -6.684 8.324 0.006 445 HD23 LEU 60 3HD2 LEU 60 -5.537 8.664 1.303 446 H ARG 61 H ARG 61 -9.714 10.018 3.067 447 HA ARG 61 HA ARG 61 -10.375 12.598 3.996 448 HB2 ARG 61 2HB ARG 61 -12.119 11.242 3.103 449 HB3 ARG 61 3HB ARG 61 -11.772 9.936 4.228 450 HG2 ARG 61 2HG ARG 61 -12.515 12.535 5.417 451 HG3 ARG 61 3HG ARG 61 -13.784 11.663 4.554 452 HD2 ARG 61 2HD ARG 61 -12.067 10.258 6.564 453 HD3 ARG 61 3HD ARG 61 -13.439 11.234 7.088 454 HE ARG 61 HE ARG 61 -13.527 8.677 5.763 455 HH11 ARG 61 1HH1 ARG 61 -15.264 11.601 6.506 456 HH12 ARG 61 2HH1 ARG 61 -16.826 10.879 6.312 457 HH21 ARG 61 1HH2 ARG 61 -15.579 7.713 5.504 458 HH22 ARG 61 2HH2 ARG 61 -17.004 8.667 5.743 459 H LEU 62 H LEU 62 -9.448 9.632 5.653 460 HA LEU 62 HA LEU 62 -10.058 10.430 8.274 461 HB2 LEU 62 2HB LEU 62 -9.017 8.183 7.066 462 HB3 LEU 62 3HB LEU 62 -7.678 8.766 8.051 463 HG LEU 62 HG LEU 62 -9.010 7.073 9.214 464 HD11 LEU 62 1HD1 LEU 62 -9.804 9.083 11.003 465 HD12 LEU 62 2HD1 LEU 62 -8.373 9.694 10.174 466 HD13 LEU 62 3HD1 LEU 62 -8.309 8.149 11.020 467 HD21 LEU 62 1HD2 LEU 62 -11.278 9.040 9.282 468 HD22 LEU 62 2HD2 LEU 62 -11.277 7.340 9.751 469 HD23 LEU 62 3HD2 LEU 62 -11.165 7.785 8.048 470 H VAL 63 H VAL 63 -7.003 10.619 6.460 471 HA VAL 63 HA VAL 63 -5.523 11.880 8.505 472 HB VAL 63 HB VAL 63 -5.079 12.015 5.519 473 HG11 VAL 63 1HG1 VAL 63 -3.648 13.131 7.803 474 HG12 VAL 63 2HG1 VAL 63 -2.629 12.155 6.744 475 HG13 VAL 63 3HG1 VAL 63 -3.528 13.523 6.088 476 HG21 VAL 63 1HG2 VAL 63 -3.927 10.121 7.566 477 HG22 VAL 63 2HG2 VAL 63 -5.163 9.715 6.374 478 HG23 VAL 63 3HG2 VAL 63 -3.540 10.158 5.845 479 H ILE 64 H ILE 64 -7.249 13.191 5.690 480 HA ILE 64 HA ILE 64 -6.592 15.891 6.133 481 HB ILE 64 HB ILE 64 -9.027 14.741 4.765 482 HG12 ILE 64 2HG1 ILE 64 -6.632 15.880 3.370 483 HG13 ILE 64 3HG1 ILE 64 -6.586 14.222 3.960 484 HG21 ILE 64 1HG2 ILE 64 -8.295 17.447 5.397 485 HG22 ILE 64 2HG2 ILE 64 -8.347 17.214 3.651 486 HG23 ILE 64 3HG2 ILE 64 -9.761 16.833 4.633 487 HD11 ILE 64 1HD1 ILE 64 -7.687 13.535 2.175 488 HD12 ILE 64 2HD1 ILE 64 -9.018 14.636 2.533 489 HD13 ILE 64 3HD1 ILE 64 -7.660 15.183 1.550 490 H CYS 65 H CYS 65 -9.153 13.848 7.391 491 HA CYS 65 HA CYS 65 -10.785 15.863 8.479 492 HB2 CYS 65 2HB CYS 65 -11.578 13.574 8.223 493 HB3 CYS 65 3HB CYS 65 -10.377 13.003 9.376 494 HG CYS 65 HG CYS 65 -12.479 15.363 10.529 495 H ASP 66 H ASP 66 -8.327 13.826 10.067 496 HA ASP 66 HA ASP 66 -8.429 15.121 12.556 497 HB2 ASP 66 2HB ASP 66 -6.073 13.680 11.321 498 HB3 ASP 66 3HB ASP 66 -6.313 14.009 13.035 499 H LEU 67 H LEU 67 -6.098 15.507 9.888 500 HA LEU 67 HA LEU 67 -4.556 17.525 10.998 501 HB2 LEU 67 2HB LEU 67 -4.105 16.245 8.889 502 HB3 LEU 67 3HB LEU 67 -5.271 17.290 8.082 503 HG LEU 67 HG LEU 67 -3.861 19.219 8.460 504 HD11 LEU 67 1HD1 LEU 67 -1.619 18.953 9.453 505 HD12 LEU 67 2HD1 LEU 67 -2.034 17.297 9.892 506 HD13 LEU 67 3HD1 LEU 67 -2.919 18.645 10.605 507 HD21 LEU 67 1HD2 LEU 67 -1.906 18.548 7.102 508 HD22 LEU 67 2HD2 LEU 67 -3.436 17.963 6.448 509 HD23 LEU 67 3HD2 LEU 67 -2.369 16.860 7.318 510 H GLN 68 H GLN 68 -7.721 17.669 9.567 511 HA GLN 68 HA GLN 68 -7.760 20.502 9.183 512 HB2 GLN 68 2HB GLN 68 -9.219 19.050 7.878 513 HB3 GLN 68 3HB GLN 68 -10.016 18.497 9.345 514 HG2 GLN 68 2HG GLN 68 -11.435 20.084 8.297 515 HG3 GLN 68 3HG GLN 68 -10.761 20.837 9.741 516 HE21 GLN 68 1HE2 GLN 68 -9.462 22.599 9.548 517 HE22 GLN 68 2HE2 GLN 68 -9.151 23.401 8.050 518 H GLU 69 H GLU 69 -9.637 18.458 11.431 519 HA GLU 69 HA GLU 69 -10.591 20.474 13.058 520 HB2 GLU 69 2HB GLU 69 -11.282 18.072 13.128 521 HB3 GLU 69 3HB GLU 69 -9.789 17.711 13.983 522 HG2 GLU 69 2HG GLU 69 -10.614 18.396 15.929 523 HG3 GLU 69 3HG GLU 69 -11.286 19.865 15.225 524 H ARG 70 H ARG 70 -7.473 18.849 13.136 525 HA ARG 70 HA ARG 70 -6.592 19.851 15.621 526 HB2 ARG 70 2HB ARG 70 -5.088 18.895 13.186 527 HB3 ARG 70 3HB ARG 70 -4.291 19.360 14.682 528 HG2 ARG 70 2HG ARG 70 -5.249 17.575 15.873 529 HG3 ARG 70 3HG ARG 70 -6.425 17.253 14.598 530 HD2 ARG 70 2HD ARG 70 -4.704 16.455 13.129 531 HD3 ARG 70 3HD ARG 70 -3.446 16.952 14.260 532 HE ARG 70 HE ARG 70 -4.920 14.523 14.313 533 HH11 ARG 70 1HH1 ARG 70 -3.436 16.914 16.362 534 HH12 ARG 70 2HH1 ARG 70 -3.166 15.813 17.673 535 HH21 ARG 70 1HH2 ARG 70 -4.571 13.063 16.031 536 HH22 ARG 70 2HH2 ARG 70 -3.811 13.622 17.483 537 H ARG 71 H ARG 71 -5.693 20.905 12.329 538 HA ARG 71 HA ARG 71 -4.312 23.205 13.108 539 HB2 ARG 71 2HB ARG 71 -4.222 22.158 10.847 540 HB3 ARG 71 3HB ARG 71 -5.830 22.792 10.529 541 HG2 ARG 71 2HG ARG 71 -4.050 24.158 9.531 542 HG3 ARG 71 3HG ARG 71 -5.021 25.055 10.700 543 HD2 ARG 71 2HD ARG 71 -2.745 23.757 11.940 544 HD3 ARG 71 3HD ARG 71 -2.257 24.852 10.646 545 HE ARG 71 HE ARG 71 -4.152 26.112 12.316 546 HH11 ARG 71 1HH1 ARG 71 -0.828 25.077 12.268 547 HH12 ARG 71 2HH1 ARG 71 -0.299 26.285 13.390 548 HH21 ARG 71 1HH2 ARG 71 -3.467 27.708 13.796 549 HH22 ARG 71 2HH2 ARG 71 -1.801 27.781 14.260 550 H GLU 72 H GLU 72 -7.728 22.661 12.491 551 HA GLU 72 HA GLU 72 -8.618 25.292 12.340 552 HB2 GLU 72 2HB GLU 72 -9.894 23.035 12.055 553 HB3 GLU 72 3HB GLU 72 -10.211 23.196 13.777 554 HG2 GLU 72 2HG GLU 72 -12.058 24.231 12.997 555 HG3 GLU 72 3HG GLU 72 -10.975 25.621 13.018 556 H LYS 73 H LYS 73 -8.450 23.203 15.223 557 HA LYS 73 HA LYS 73 -9.195 25.227 17.048 558 HB2 LYS 73 2HB LYS 73 -8.558 22.464 17.150 559 HB3 LYS 73 3HB LYS 73 -7.531 23.278 18.323 560 HG2 LYS 73 2HG LYS 73 -9.278 23.879 19.648 561 HG3 LYS 73 3HG LYS 73 -10.410 23.983 18.298 562 HD2 LYS 73 2HD LYS 73 -9.286 21.351 19.205 563 HD3 LYS 73 3HD LYS 73 -10.706 22.061 19.975 564 HE2 LYS 73 2HE LYS 73 -10.552 21.715 17.001 565 HE3 LYS 73 3HE LYS 73 -11.064 20.394 18.049 566 HZ1 LYS 73 1HZ LYS 73 -12.672 22.337 17.043 567 HZ2 LYS 73 2HZ LYS 73 -12.403 22.860 18.629 568 HZ3 LYS 73 3HZ LYS 73 -13.050 21.322 18.344 569 H PHE 74 H PHE 74 -6.187 24.392 15.556 570 HA PHE 74 HA PHE 74 -4.550 25.807 17.461 571 HB2 PHE 74 2HB PHE 74 -4.091 24.282 14.951 572 HB3 PHE 74 3HB PHE 74 -2.891 25.498 15.380 573 HD1 PHE 74 HD1 PHE 74 -1.030 24.476 16.246 574 HD2 PHE 74 HD2 PHE 74 -4.878 23.067 17.396 575 HE1 PHE 74 HE1 PHE 74 0.020 22.887 17.804 576 HE2 PHE 74 HE2 PHE 74 -3.834 21.477 18.955 577 HZ PHE 74 HZ PHE 74 -1.381 21.385 19.162 578 H GLY 75 H GLY 75 -6.377 26.595 14.670 579 HA2 GLY 75 2HA GLY 75 -6.860 28.958 14.317 580 HA3 GLY 75 3HA GLY 75 -5.174 29.292 14.681 581 H SER 76 H SER 76 -5.374 30.501 12.615 582 HA SER 76 HA SER 76 -5.633 29.030 10.173 583 HB2 SER 76 2HB SER 76 -5.976 31.617 10.729 584 HB3 SER 76 3HB SER 76 -4.294 31.692 10.206 585 HG SER 76 HG SER 76 -6.578 31.247 8.743 586 H SER 77 H SER 77 -3.960 28.816 8.554 587 HA SER 77 HA SER 77 -1.239 29.259 8.993 588 HB2 SER 77 2HB SER 77 -0.782 27.671 10.533 589 HB3 SER 77 3HB SER 77 -2.315 26.842 10.260 590 HG SER 77 HG SER 77 -0.676 25.492 9.594 591 H LYS 78 H LYS 78 -0.889 29.642 6.896 592 HA LYS 78 HA LYS 78 -2.136 28.358 4.745 593 HB2 LYS 78 2HB LYS 78 0.035 30.274 5.122 594 HB3 LYS 78 3HB LYS 78 0.290 29.227 3.732 595 HG2 LYS 78 2HG LYS 78 -1.904 29.862 2.854 596 HG3 LYS 78 3HG LYS 78 -2.145 30.924 4.243 597 HD2 LYS 78 2HD LYS 78 -1.264 32.510 2.922 598 HD3 LYS 78 3HD LYS 78 0.282 31.760 3.324 599 HE2 LYS 78 2HE LYS 78 0.277 30.485 1.316 600 HE3 LYS 78 3HE LYS 78 -1.397 30.917 0.971 601 HZ1 LYS 78 1HZ LYS 78 -0.811 33.027 0.318 602 HZ2 LYS 78 2HZ LYS 78 0.511 32.135 -0.243 603 HZ3 LYS 78 3HZ LYS 78 0.640 33.029 1.188 604 H GLU 79 H GLU 79 0.460 27.356 6.749 605 HA GLU 79 HA GLU 79 1.800 25.631 4.951 606 HB2 GLU 79 2HB GLU 79 1.604 25.599 7.965 607 HB3 GLU 79 3HB GLU 79 2.665 24.545 7.040 608 HG2 GLU 79 2HG GLU 79 3.687 26.638 6.067 609 HG3 GLU 79 3HG GLU 79 2.788 27.533 7.291 610 H ILE 80 H ILE 80 -0.315 24.728 7.679 611 HA ILE 80 HA ILE 80 -0.735 22.095 6.689 612 HB ILE 80 HB ILE 80 -2.273 23.629 8.786 613 HG12 ILE 80 2HG1 ILE 80 -0.035 21.607 9.034 614 HG13 ILE 80 3HG1 ILE 80 0.102 23.337 9.334 615 HG21 ILE 80 1HG2 ILE 80 -2.373 20.836 9.211 616 HG22 ILE 80 2HG2 ILE 80 -3.701 21.934 8.841 617 HG23 ILE 80 3HG2 ILE 80 -2.828 21.134 7.535 618 HD11 ILE 80 1HD1 ILE 80 -0.569 23.076 11.424 619 HD12 ILE 80 2HD1 ILE 80 -2.022 22.220 10.905 620 HD13 ILE 80 3HD1 ILE 80 -0.522 21.331 11.167 621 H ASP 81 H ASP 81 -2.566 25.099 6.532 622 HA ASP 81 HA ASP 81 -4.998 24.143 5.596 623 HB2 ASP 81 2HB ASP 81 -3.535 26.729 5.092 624 HB3 ASP 81 3HB ASP 81 -5.139 26.423 4.431 625 H MET 82 H MET 82 -2.111 25.077 3.746 626 HA MET 82 HA MET 82 -3.224 24.518 1.204 627 HB2 MET 82 2HB MET 82 -0.397 24.811 2.198 628 HB3 MET 82 3HB MET 82 -0.751 24.421 0.521 629 HG2 MET 82 2HG MET 82 -2.267 26.700 1.511 630 HG3 MET 82 3HG MET 82 -0.522 26.936 1.580 631 HE1 MET 82 1HE MET 82 -1.416 28.877 0.369 632 HE2 MET 82 2HE MET 82 -0.607 28.949 -1.198 633 HE3 MET 82 3HE MET 82 -2.365 28.812 -1.117 634 H ALA 83 H ALA 83 -1.089 22.643 3.340 635 HA ALA 83 HA ALA 83 -0.697 20.420 1.733 636 HB1 ALA 83 1HB ALA 83 -1.088 19.878 4.606 637 HB2 ALA 83 2HB ALA 83 0.262 19.476 3.545 638 HB3 ALA 83 3HB ALA 83 0.111 21.106 4.201 639 H ILE 84 H ILE 84 -3.352 21.101 3.983 640 HA ILE 84 HA ILE 84 -4.676 18.640 3.746 641 HB ILE 84 HB ILE 84 -5.826 21.371 4.327 642 HG12 ILE 84 2HG1 ILE 84 -5.402 19.224 6.365 643 HG13 ILE 84 3HG1 ILE 84 -4.019 20.175 5.837 644 HG21 ILE 84 1HG2 ILE 84 -7.397 19.402 5.529 645 HG22 ILE 84 2HG2 ILE 84 -7.828 20.424 4.159 646 HG23 ILE 84 3HG2 ILE 84 -7.114 18.836 3.883 647 HD11 ILE 84 1HD1 ILE 84 -6.550 21.413 6.871 648 HD12 ILE 84 2HD1 ILE 84 -5.191 20.978 7.907 649 HD13 ILE 84 3HD1 ILE 84 -4.979 22.177 6.633 650 H VAL 85 H VAL 85 -5.299 21.719 2.059 651 HA VAL 85 HA VAL 85 -7.379 20.935 0.433 652 HB VAL 85 HB VAL 85 -5.125 22.761 -0.408 653 HG11 VAL 85 1HG1 VAL 85 -6.956 23.848 -1.732 654 HG12 VAL 85 2HG1 VAL 85 -6.504 22.232 -2.278 655 HG13 VAL 85 3HG1 VAL 85 -7.976 22.466 -1.334 656 HG21 VAL 85 1HG2 VAL 85 -7.416 24.176 0.501 657 HG22 VAL 85 2HG2 VAL 85 -6.947 23.023 1.749 658 HG23 VAL 85 3HG2 VAL 85 -5.778 24.200 1.152 659 H THR 86 H THR 86 -3.939 20.332 0.044 660 HA THR 86 HA THR 86 -4.051 19.362 -2.615 661 HB THR 86 HB THR 86 -2.041 18.880 -0.411 662 HG1 THR 86 HG1 THR 86 -2.159 21.020 -1.268 663 HG21 THR 86 1HG2 THR 86 -1.632 17.044 -1.754 664 HG22 THR 86 2HG2 THR 86 -0.599 18.260 -2.505 665 HG23 THR 86 3HG2 THR 86 -2.161 17.866 -3.222 666 H LEU 87 H LEU 87 -4.016 17.694 0.528 667 HA LEU 87 HA LEU 87 -4.059 15.076 -0.372 668 HB2 LEU 87 2HB LEU 87 -5.159 16.408 2.072 669 HB3 LEU 87 3HB LEU 87 -5.416 14.687 1.800 670 HG LEU 87 HG LEU 87 -2.739 16.055 2.060 671 HD11 LEU 87 1HD1 LEU 87 -2.749 14.427 4.112 672 HD12 LEU 87 2HD1 LEU 87 -4.500 14.585 3.962 673 HD13 LEU 87 3HD1 LEU 87 -3.503 16.017 4.222 674 HD21 LEU 87 1HD2 LEU 87 -3.508 13.506 0.965 675 HD22 LEU 87 2HD2 LEU 87 -2.497 13.291 2.395 676 HD23 LEU 87 3HD2 LEU 87 -1.916 14.261 1.041 677 H LYS 88 H LYS 88 -6.723 17.353 0.017 678 HA LYS 88 HA LYS 88 -8.778 15.464 -0.564 679 HB2 LYS 88 2HB LYS 88 -8.981 18.450 -0.922 680 HB3 LYS 88 3HB LYS 88 -10.271 17.312 -0.558 681 HG2 LYS 88 2HG LYS 88 -8.623 16.935 1.566 682 HG3 LYS 88 3HG LYS 88 -8.373 18.649 1.228 683 HD2 LYS 88 2HD LYS 88 -11.094 18.399 1.024 684 HD3 LYS 88 3HD LYS 88 -10.707 17.267 2.322 685 HE2 LYS 88 2HE LYS 88 -9.470 19.056 3.477 686 HE3 LYS 88 3HE LYS 88 -9.922 20.178 2.195 687 HZ1 LYS 88 1HZ LYS 88 -11.421 20.480 3.992 688 HZ2 LYS 88 2HZ LYS 88 -11.733 18.823 4.113 689 HZ3 LYS 88 3HZ LYS 88 -12.279 19.689 2.767 690 H VAL 89 H VAL 89 -7.449 18.175 -2.468 691 HA VAL 89 HA VAL 89 -8.778 17.712 -4.840 692 HB VAL 89 HB VAL 89 -5.939 18.698 -4.526 693 HG11 VAL 89 1HG1 VAL 89 -6.286 19.775 -6.696 694 HG12 VAL 89 2HG1 VAL 89 -6.428 18.021 -6.818 695 HG13 VAL 89 3HG1 VAL 89 -7.877 19.026 -6.815 696 HG21 VAL 89 1HG2 VAL 89 -8.252 20.508 -4.986 697 HG22 VAL 89 2HG2 VAL 89 -8.021 19.848 -3.367 698 HG23 VAL 89 3HG2 VAL 89 -6.742 20.799 -4.121 699 H PHE 90 H PHE 90 -5.712 16.308 -3.737 700 HA PHE 90 HA PHE 90 -5.273 14.789 -6.103 701 HB2 PHE 90 2HB PHE 90 -3.402 15.356 -4.679 702 HB3 PHE 90 3HB PHE 90 -4.135 14.519 -3.315 703 HD1 PHE 90 HD1 PHE 90 -3.998 12.146 -3.095 704 HD2 PHE 90 HD2 PHE 90 -2.453 14.093 -6.550 705 HE1 PHE 90 HE1 PHE 90 -2.827 10.078 -3.734 706 HE2 PHE 90 HE2 PHE 90 -1.280 12.029 -7.194 707 HZ PHE 90 HZ PHE 90 -1.466 10.018 -5.785 708 H ALA 91 H ALA 91 -6.986 14.227 -3.116 709 HA ALA 91 HA ALA 91 -7.234 11.405 -3.379 710 HB1 ALA 91 1HB ALA 91 -8.719 13.455 -1.760 711 HB2 ALA 91 2HB ALA 91 -9.135 11.742 -1.726 712 HB3 ALA 91 3HB ALA 91 -7.532 12.269 -1.213 713 H VAL 92 H VAL 92 -9.469 14.093 -4.067 714 HA VAL 92 HA VAL 92 -11.492 12.419 -5.167 715 HB VAL 92 HB VAL 92 -12.486 14.530 -6.012 716 HG11 VAL 92 1HG1 VAL 92 -11.820 13.941 -3.228 717 HG12 VAL 92 2HG1 VAL 92 -12.268 15.623 -3.516 718 HG13 VAL 92 3HG1 VAL 92 -13.375 14.325 -3.967 719 HG21 VAL 92 1HG2 VAL 92 -10.901 16.051 -6.571 720 HG22 VAL 92 2HG2 VAL 92 -11.178 16.593 -4.916 721 HG23 VAL 92 3HG2 VAL 92 -9.806 15.548 -5.283 722 H ALA 93 H ALA 93 -8.912 14.397 -6.566 723 HA ALA 93 HA ALA 93 -9.660 13.815 -9.274 724 HB1 ALA 93 1HB ALA 93 -7.055 14.937 -8.251 725 HB2 ALA 93 2HB ALA 93 -7.676 15.022 -9.901 726 HB3 ALA 93 3HB ALA 93 -8.493 15.896 -8.605 727 H GLY 94 H GLY 94 -7.944 12.150 -6.859 728 HA2 GLY 94 2HA GLY 94 -6.490 10.530 -8.839 729 HA3 GLY 94 3HA GLY 94 -6.156 10.574 -7.114 730 H LEU 95 H LEU 95 -7.923 9.710 -5.694 731 HA LEU 95 HA LEU 95 -8.507 7.063 -6.386 732 HB2 LEU 95 2HB LEU 95 -9.567 8.892 -4.255 733 HB3 LEU 95 3HB LEU 95 -10.134 7.230 -4.417 734 HG LEU 95 HG LEU 95 -8.482 7.284 -2.699 735 HD11 LEU 95 1HD1 LEU 95 -8.437 5.381 -4.290 736 HD12 LEU 95 2HD1 LEU 95 -6.883 5.695 -3.519 737 HD13 LEU 95 3HD1 LEU 95 -7.161 6.208 -5.184 738 HD21 LEU 95 1HD2 LEU 95 -7.427 9.417 -3.432 739 HD22 LEU 95 2HD2 LEU 95 -6.571 8.511 -4.682 740 HD23 LEU 95 3HD2 LEU 95 -6.270 8.164 -2.978 741 H LEU 96 H LEU 96 -10.544 9.961 -6.434 742 HA LEU 96 HA LEU 96 -12.783 8.462 -7.519 743 HB2 LEU 96 2HB LEU 96 -12.513 10.796 -6.006 744 HB3 LEU 96 3HB LEU 96 -13.106 11.326 -7.579 745 HG LEU 96 HG LEU 96 -14.426 9.359 -5.714 746 HD11 LEU 96 1HD1 LEU 96 -14.523 12.174 -5.892 747 HD12 LEU 96 2HD1 LEU 96 -15.512 11.107 -4.897 748 HD13 LEU 96 3HD1 LEU 96 -16.053 11.556 -6.513 749 HD21 LEU 96 1HD2 LEU 96 -14.931 10.060 -8.569 750 HD22 LEU 96 2HD2 LEU 96 -16.296 9.698 -7.511 751 HD23 LEU 96 3HD2 LEU 96 -15.029 8.496 -7.757 752 H ASN 97 H ASN 97 -10.026 9.774 -8.758 753 HA ASN 97 HA ASN 97 -9.335 10.465 -10.817 754 HB2 ASN 97 2HB ASN 97 -11.696 8.786 -11.693 755 HB3 ASN 97 3HB ASN 97 -10.356 9.288 -12.722 756 HD21 ASN 97 1HD2 ASN 97 -8.557 8.094 -12.763 757 HD22 ASN 97 2HD2 ASN 97 -8.262 6.717 -11.763 758 H MET 98 H MET 98 -11.239 12.178 -9.426 759 HA MET 98 HA MET 98 -13.051 13.246 -11.377 760 HB2 MET 98 2HB MET 98 -12.163 14.130 -8.641 761 HB3 MET 98 3HB MET 98 -13.192 15.146 -9.641 762 HG2 MET 98 2HG MET 98 -14.149 12.405 -9.434 763 HG3 MET 98 3HG MET 98 -14.038 13.226 -7.879 764 HE1 MET 98 1HE MET 98 -15.675 13.067 -11.369 765 HE2 MET 98 2HE MET 98 -16.578 12.202 -10.126 766 HE3 MET 98 3HE MET 98 -17.291 13.609 -10.915 767 H THR 99 H THR 99 -12.955 15.717 -11.765 768 HA THR 99 HA THR 99 -10.191 16.548 -12.329 769 HB THR 99 HB THR 99 -11.083 17.576 -14.479 770 HG1 THR 99 HG1 THR 99 -13.130 15.627 -14.227 771 HG21 THR 99 1HG2 THR 99 -9.747 15.379 -14.184 772 HG22 THR 99 2HG2 THR 99 -10.548 15.682 -15.724 773 HG23 THR 99 3HG2 THR 99 -11.276 14.586 -14.552 774 H VAL 100 H VAL 100 -10.948 17.625 -10.188 775 HA VAL 100 HA VAL 100 -12.803 19.661 -10.055 776 HB VAL 100 HB VAL 100 -11.245 20.712 -8.345 777 HG11 VAL 100 1HG1 VAL 100 -12.769 19.408 -7.286 778 HG12 VAL 100 2HG1 VAL 100 -12.404 17.989 -8.270 779 HG13 VAL 100 3HG1 VAL 100 -11.334 18.442 -6.943 780 HG21 VAL 100 1HG2 VAL 100 -9.341 19.171 -9.662 781 HG22 VAL 100 2HG2 VAL 100 -9.125 20.059 -8.153 782 HG23 VAL 100 3HG2 VAL 100 -9.585 18.357 -8.117 783 H SER 101 H SER 101 -12.337 22.039 -9.897 784 HA SER 101 HA SER 101 -10.777 22.852 -12.248 785 HB2 SER 101 2HB SER 101 -13.340 23.634 -11.181 786 HB3 SER 101 3HB SER 101 -12.286 25.041 -11.314 787 HG SER 101 HG SER 101 -12.828 24.981 -13.342 788 H THR 102 H THR 102 -11.219 23.475 -8.818 789 HA THR 102 HA THR 102 -8.604 24.773 -8.752 790 HB THR 102 HB THR 102 -9.307 26.688 -7.538 791 HG1 THR 102 HG1 THR 102 -11.751 26.851 -7.220 792 HG21 THR 102 1HG2 THR 102 -10.886 27.789 -9.075 793 HG22 THR 102 2HG2 THR 102 -11.265 26.221 -9.791 794 HG23 THR 102 3HG2 THR 102 -9.641 26.891 -9.942 795 H ALA 103 H ALA 103 -7.640 24.817 -6.648 796 HA ALA 103 HA ALA 103 -7.885 22.496 -5.176 797 HB1 ALA 103 1HB ALA 103 -6.162 23.296 -3.987 798 HB2 ALA 103 2HB ALA 103 -6.186 24.625 -5.146 799 HB3 ALA 103 3HB ALA 103 -7.002 24.795 -3.593 800 H ALA 104 H ALA 104 -9.450 25.619 -4.648 801 HA ALA 104 HA ALA 104 -10.630 24.985 -2.158 802 HB1 ALA 104 1HB ALA 104 -12.309 26.848 -3.108 803 HB2 ALA 104 2HB ALA 104 -10.724 27.226 -2.435 804 HB3 ALA 104 3HB ALA 104 -10.934 27.113 -4.181 805 H ALA 105 H ALA 105 -11.720 24.616 -5.495 806 HA ALA 105 HA ALA 105 -14.382 23.919 -4.999 807 HB1 ALA 105 1HB ALA 105 -14.229 24.162 -7.217 808 HB2 ALA 105 2HB ALA 105 -12.519 23.728 -7.239 809 HB3 ALA 105 3HB ALA 105 -13.750 22.465 -7.229 810 H ALA 106 H ALA 106 -11.462 21.924 -5.136 811 HA ALA 106 HA ALA 106 -12.754 19.427 -4.875 812 HB1 ALA 106 1HB ALA 106 -10.688 18.560 -4.984 813 HB2 ALA 106 2HB ALA 106 -10.202 20.210 -5.373 814 HB3 ALA 106 3HB ALA 106 -10.067 19.619 -3.717 815 H GLU 107 H GLU 107 -11.117 21.471 -2.455 816 HA GLU 107 HA GLU 107 -11.589 19.881 -0.225 817 HB2 GLU 107 2HB GLU 107 -10.073 21.720 -0.053 818 HB3 GLU 107 3HB GLU 107 -11.324 22.874 -0.495 819 HG2 GLU 107 2HG GLU 107 -12.118 21.391 1.831 820 HG3 GLU 107 3HG GLU 107 -10.528 22.112 2.072 821 H ASN 108 H ASN 108 -13.646 22.301 -1.760 822 HA ASN 108 HA ASN 108 -15.646 22.404 0.216 823 HB2 ASN 108 2HB ASN 108 -15.495 24.092 -1.534 824 HB3 ASN 108 3HB ASN 108 -15.838 22.882 -2.766 825 HD21 ASN 108 1HD2 ASN 108 -17.913 22.239 -3.121 826 HD22 ASN 108 2HD2 ASN 108 -19.281 22.972 -2.362 827 H MET 109 H MET 109 -15.536 20.556 -2.833 828 HA MET 109 HA MET 109 -17.932 19.144 -2.393 829 HB2 MET 109 2HB MET 109 -16.113 19.358 -4.457 830 HB3 MET 109 3HB MET 109 -15.918 17.688 -3.938 831 HG2 MET 109 2HG MET 109 -18.637 17.956 -4.024 832 HG3 MET 109 3HG MET 109 -18.111 18.968 -5.368 833 HE1 MET 109 1HE MET 109 -18.015 14.561 -4.727 834 HE2 MET 109 2HE MET 109 -16.375 15.125 -4.401 835 HE3 MET 109 3HE MET 109 -17.739 15.817 -3.520 836 H TYR 110 H TYR 110 -14.673 18.638 -1.287 837 HA TYR 110 HA TYR 110 -14.841 15.917 -0.603 838 HB2 TYR 110 2HB TYR 110 -12.823 17.648 -0.613 839 HB3 TYR 110 3HB TYR 110 -13.231 17.766 1.095 840 HD1 TYR 110 HD1 TYR 110 -11.889 15.611 -1.537 841 HD2 TYR 110 HD2 TYR 110 -12.923 15.860 2.583 842 HE1 TYR 110 HE1 TYR 110 -10.600 13.564 -1.095 843 HE2 TYR 110 HE2 TYR 110 -11.636 13.814 3.036 844 HH TYR 110 HH TYR 110 -9.607 12.617 1.861 845 H SER 111 H SER 111 -15.250 18.802 1.452 846 HA SER 111 HA SER 111 -16.214 17.262 3.669 847 HB2 SER 111 2HB SER 111 -16.724 19.531 4.646 848 HB3 SER 111 3HB SER 111 -15.046 19.303 4.155 849 HG SER 111 HG SER 111 -15.398 20.555 2.373 850 H GLN 112 H GLN 112 -17.670 19.173 1.101 851 HA GLN 112 HA GLN 112 -20.296 19.239 2.121 852 HB2 GLN 112 2HB GLN 112 -19.154 19.494 -0.651 853 HB3 GLN 112 3HB GLN 112 -20.890 19.543 -0.368 854 HG2 GLN 112 2HG GLN 112 -18.925 21.384 0.971 855 HG3 GLN 112 3HG GLN 112 -19.778 21.770 -0.523 856 HE21 GLN 112 1HE2 GLN 112 -20.049 23.396 1.627 857 HE22 GLN 112 2HE2 GLN 112 -21.637 23.251 2.291 858 H MET 113 H MET 113 -18.497 16.807 0.397 859 HA MET 113 HA MET 113 -20.777 15.231 -0.334 860 HB2 MET 113 2HB MET 113 -18.674 15.124 -1.600 861 HB3 MET 113 3HB MET 113 -17.853 14.476 -0.187 862 HG2 MET 113 2HG MET 113 -18.977 12.437 -0.321 863 HG3 MET 113 3HG MET 113 -20.219 13.090 -1.385 864 HE1 MET 113 1HE MET 113 -18.041 10.305 -3.341 865 HE2 MET 113 2HE MET 113 -18.348 10.382 -1.606 866 HE3 MET 113 3HE MET 113 -19.664 10.660 -2.747 867 H GLY 114 H GLY 114 -18.888 15.620 2.504 868 HA2 GLY 114 2HA GLY 114 -19.803 14.783 4.586 869 HA3 GLY 114 3HA GLY 114 -20.313 13.341 3.720 870 H LEU 115 H LEU 115 -17.199 14.538 2.940 871 HA LEU 115 HA LEU 115 -15.993 12.204 4.198 872 HB2 LEU 115 2HB LEU 115 -14.675 14.257 2.434 873 HB3 LEU 115 3HB LEU 115 -14.074 12.651 2.843 874 HG LEU 115 HG LEU 115 -16.675 12.768 1.437 875 HD11 LEU 115 1HD1 LEU 115 -15.048 12.792 -0.700 876 HD12 LEU 115 2HD1 LEU 115 -14.192 13.922 0.347 877 HD13 LEU 115 3HD1 LEU 115 -15.874 14.224 -0.086 878 HD21 LEU 115 1HD2 LEU 115 -15.903 10.765 0.445 879 HD22 LEU 115 2HD2 LEU 115 -15.430 10.689 2.142 880 HD23 LEU 115 3HD2 LEU 115 -14.233 11.092 0.910 881 H ASP 116 H ASP 116 -15.136 15.659 3.929 882 HA ASP 116 HA ASP 116 -13.783 15.445 6.528 883 HB2 ASP 116 2HB ASP 116 -12.513 16.274 4.495 884 HB3 ASP 116 3HB ASP 116 -13.539 17.705 4.540 885 H THR 117 H THR 117 -13.929 17.362 7.959 886 HA THR 117 HA THR 117 -16.690 18.083 8.328 887 HB THR 117 HB THR 117 -15.078 19.602 10.086 888 HG1 THR 117 HG1 THR 117 -14.221 16.887 9.966 889 HG21 THR 117 1HG2 THR 117 -17.299 18.405 10.440 890 HG22 THR 117 2HG2 THR 117 -16.144 18.333 11.771 891 HG23 THR 117 3HG2 THR 117 -16.348 16.944 10.705 892 H ARG 118 H ARG 118 -17.076 20.475 9.053 893 HA ARG 118 HA ARG 118 -15.855 22.251 7.044 894 HB2 ARG 118 2HB ARG 118 -18.136 23.458 7.164 895 HB3 ARG 118 3HB ARG 118 -18.022 21.970 6.233 896 HG2 ARG 118 2HG ARG 118 -19.018 20.718 8.048 897 HG3 ARG 118 3HG ARG 118 -19.056 22.168 9.054 898 HD2 ARG 118 2HD ARG 118 -20.998 22.782 8.169 899 HD3 ARG 118 3HD ARG 118 -20.320 22.707 6.543 900 HE ARG 118 HE ARG 118 -21.386 20.710 6.241 901 HH11 ARG 118 1HH1 ARG 118 -21.222 21.394 9.652 902 HH12 ARG 118 2HH1 ARG 118 -22.218 20.048 10.101 903 HH21 ARG 118 1HH2 ARG 118 -22.698 18.936 6.821 904 HH22 ARG 118 2HH2 ARG 118 -23.055 18.651 8.492 905 HA PRO 119 HA PRO 119 -14.875 25.078 10.253 906 HB2 PRO 119 2HB PRO 119 -15.253 27.471 9.026 907 HB3 PRO 119 3HB PRO 119 -13.899 26.400 8.646 908 HG2 PRO 119 2HG PRO 119 -16.489 26.769 7.191 909 HG3 PRO 119 3HG PRO 119 -14.848 26.618 6.534 910 HD2 PRO 119 2HD PRO 119 -16.598 24.551 6.572 911 HD3 PRO 119 3HD PRO 119 -14.844 24.321 6.732 Start of MODEL 4 1 H1 GLY 2 H GLY 2 -0.339 2.426 3.405 2 HA2 GLY 2 2HA GLY 2 -0.901 1.130 1.529 3 HA3 GLY 2 3HA GLY 2 -0.982 2.760 0.877 4 H ASN 3 H ASN 3 -0.527 0.818 -0.890 5 HA ASN 3 HA ASN 3 2.242 1.323 -1.678 6 HB2 ASN 3 2HB ASN 3 1.765 -1.021 -0.504 7 HB3 ASN 3 3HB ASN 3 1.223 -1.442 -2.126 8 HD21 ASN 3 1HD2 ASN 3 3.078 -2.963 -1.783 9 HD22 ASN 3 2HD2 ASN 3 4.640 -2.423 -2.289 10 H GLY 4 H GLY 4 2.222 2.140 -3.661 11 HA2 GLY 4 2HA GLY 4 0.904 0.929 -5.847 12 HA3 GLY 4 3HA GLY 4 -0.034 2.309 -5.295 13 H GLN 5 H GLN 5 2.167 1.397 -7.507 14 HA GLN 5 HA GLN 5 2.914 4.130 -8.069 15 HB2 GLN 5 2HB GLN 5 4.831 2.152 -6.991 16 HB3 GLN 5 3HB GLN 5 5.385 3.082 -8.376 17 HG2 GLN 5 2HG GLN 5 4.877 5.156 -7.167 18 HG3 GLN 5 3HG GLN 5 4.376 4.203 -5.771 19 HE21 GLN 5 1HE2 GLN 5 7.051 5.289 -7.695 20 HE22 GLN 5 2HE2 GLN 5 8.298 4.828 -6.593 21 H GLY 6 H GLY 6 3.244 4.488 -10.218 22 HA2 GLY 6 2HA GLY 6 4.205 3.282 -12.284 23 HA3 GLY 6 3HA GLY 6 2.907 2.140 -11.962 24 H ARG 7 H ARG 7 1.355 2.402 -13.416 25 HA ARG 7 HA ARG 7 0.932 4.780 -14.881 26 HB2 ARG 7 2HB ARG 7 0.280 2.300 -15.409 27 HB3 ARG 7 3HB ARG 7 -1.206 2.707 -14.562 28 HG2 ARG 7 2HG ARG 7 -1.933 4.091 -16.208 29 HG3 ARG 7 3HG ARG 7 -0.301 4.558 -16.689 30 HD2 ARG 7 2HD ARG 7 -0.332 3.064 -18.330 31 HD3 ARG 7 3HD ARG 7 -0.639 1.770 -17.172 32 HE ARG 7 HE ARG 7 -3.079 2.891 -17.523 33 HH11 ARG 7 1HH1 ARG 7 -0.665 1.655 -19.706 34 HH12 ARG 7 2HH1 ARG 7 -1.814 1.164 -20.906 35 HH21 ARG 7 1HH2 ARG 7 -4.601 2.247 -19.095 36 HH22 ARG 7 2HH2 ARG 7 -4.053 1.502 -20.557 37 H ASP 8 H ASP 8 -0.948 3.268 -12.263 38 HA ASP 8 HA ASP 8 -2.963 5.174 -12.072 39 HB2 ASP 8 2HB ASP 8 -2.834 2.929 -10.895 40 HB3 ASP 8 3HB ASP 8 -1.785 3.704 -9.712 41 H TRP 9 H TRP 9 0.288 5.169 -10.743 42 HA TRP 9 HA TRP 9 -0.036 7.377 -9.005 43 HB2 TRP 9 2HB TRP 9 1.857 5.683 -8.992 44 HB3 TRP 9 3HB TRP 9 2.536 6.561 -10.360 45 HD1 TRP 9 HD1 TRP 9 4.498 7.952 -9.497 46 HE1 TRP 9 HE1 TRP 9 4.934 9.475 -7.468 47 HE3 TRP 9 HE3 TRP 9 0.080 7.280 -7.013 48 HZ2 TRP 9 HZ2 TRP 9 3.584 10.283 -5.125 49 HZ3 TRP 9 HZ3 TRP 9 -0.268 8.463 -4.885 50 HH2 TRP 9 HH2 TRP 9 1.449 9.933 -3.961 51 H LYS 10 H LYS 10 1.559 7.201 -12.195 52 HA LYS 10 HA LYS 10 2.018 9.905 -12.551 53 HB2 LYS 10 2HB LYS 10 1.968 7.534 -14.217 54 HB3 LYS 10 3HB LYS 10 1.374 8.937 -15.096 55 HG2 LYS 10 2HG LYS 10 3.387 10.023 -15.007 56 HG3 LYS 10 3HG LYS 10 3.895 9.190 -13.535 57 HD2 LYS 10 2HD LYS 10 5.236 8.188 -15.125 58 HD3 LYS 10 3HD LYS 10 3.868 7.074 -15.062 59 HE2 LYS 10 2HE LYS 10 3.677 7.342 -17.264 60 HE3 LYS 10 3HE LYS 10 3.131 8.987 -16.940 61 HZ1 LYS 10 1HZ LYS 10 4.909 9.671 -18.047 62 HZ2 LYS 10 2HZ LYS 10 5.544 8.107 -18.146 63 HZ3 LYS 10 3HZ LYS 10 5.880 9.072 -16.798 64 H MET 11 H MET 11 -0.930 8.070 -12.996 65 HA MET 11 HA MET 11 -2.366 10.058 -14.424 66 HB2 MET 11 2HB MET 11 -2.864 7.434 -13.386 67 HB3 MET 11 3HB MET 11 -4.180 8.497 -12.904 68 HG2 MET 11 2HG MET 11 -4.105 9.213 -15.424 69 HG3 MET 11 3HG MET 11 -3.327 7.644 -15.621 70 HE1 MET 11 1HE MET 11 -5.654 5.800 -13.234 71 HE2 MET 11 2HE MET 11 -5.556 5.048 -14.827 72 HE3 MET 11 3HE MET 11 -4.121 5.780 -14.106 73 H ALA 12 H ALA 12 -2.115 9.245 -10.986 74 HA ALA 12 HA ALA 12 -4.035 11.042 -10.021 75 HB1 ALA 12 1HB ALA 12 -2.564 9.141 -8.866 76 HB2 ALA 12 2HB ALA 12 -1.636 10.552 -8.358 77 HB3 ALA 12 3HB ALA 12 -3.347 10.428 -7.949 78 H ILE 13 H ILE 13 -0.571 11.456 -10.630 79 HA ILE 13 HA ILE 13 -0.517 14.152 -9.659 80 HB ILE 13 HB ILE 13 1.482 12.645 -11.349 81 HG12 ILE 13 2HG1 ILE 13 1.082 11.722 -9.074 82 HG13 ILE 13 3HG1 ILE 13 2.715 12.343 -9.283 83 HG21 ILE 13 1HG2 ILE 13 2.995 14.507 -10.294 84 HG22 ILE 13 2HG2 ILE 13 2.075 14.823 -11.765 85 HG23 ILE 13 3HG2 ILE 13 1.476 15.399 -10.211 86 HD11 ILE 13 1HD1 ILE 13 2.119 14.363 -8.083 87 HD12 ILE 13 2HD1 ILE 13 0.461 13.787 -7.911 88 HD13 ILE 13 3HD1 ILE 13 1.780 12.932 -7.111 89 H LYS 14 H LYS 14 -0.446 12.660 -12.884 90 HA LYS 14 HA LYS 14 -0.287 15.000 -14.392 91 HB2 LYS 14 2HB LYS 14 0.012 12.713 -15.298 92 HB3 LYS 14 3HB LYS 14 -1.717 12.438 -15.125 93 HG2 LYS 14 2HG LYS 14 -2.172 14.220 -16.724 94 HG3 LYS 14 3HG LYS 14 -0.440 14.523 -16.886 95 HD2 LYS 14 2HD LYS 14 -0.825 11.764 -17.313 96 HD3 LYS 14 3HD LYS 14 -2.074 12.598 -18.239 97 HE2 LYS 14 2HE LYS 14 -0.176 12.372 -19.656 98 HE3 LYS 14 3HE LYS 14 -0.267 14.065 -19.173 99 HZ1 LYS 14 1HZ LYS 14 1.825 12.199 -18.756 100 HZ2 LYS 14 2HZ LYS 14 1.297 12.820 -17.274 101 HZ3 LYS 14 3HZ LYS 14 1.819 13.869 -18.494 102 H ARG 15 H ARG 15 -2.919 13.656 -12.621 103 HA ARG 15 HA ARG 15 -4.868 15.361 -13.982 104 HB2 ARG 15 2HB ARG 15 -5.063 13.039 -12.102 105 HB3 ARG 15 3HB ARG 15 -6.414 14.156 -12.237 106 HG2 ARG 15 2HG ARG 15 -5.371 13.240 -14.809 107 HG3 ARG 15 3HG ARG 15 -6.027 11.956 -13.792 108 HD2 ARG 15 2HD ARG 15 -7.859 12.699 -15.041 109 HD3 ARG 15 3HD ARG 15 -8.049 13.487 -13.475 110 HE ARG 15 HE ARG 15 -7.784 15.508 -14.508 111 HH11 ARG 15 1HH1 ARG 15 -6.622 12.998 -16.623 112 HH12 ARG 15 2HH1 ARG 15 -6.377 14.064 -17.967 113 HH21 ARG 15 1HH2 ARG 15 -7.463 16.921 -16.270 114 HH22 ARG 15 2HH2 ARG 15 -6.854 16.295 -17.764 115 H CYS 16 H CYS 16 -3.838 14.640 -10.643 116 HA CYS 16 HA CYS 16 -5.211 16.696 -9.377 117 HB2 CYS 16 2HB CYS 16 -4.133 14.884 -8.146 118 HB3 CYS 16 3HB CYS 16 -2.547 15.470 -8.635 119 HG CYS 16 HG CYS 16 -3.344 18.059 -7.298 120 H SER 17 H SER 17 -2.012 16.706 -10.881 121 HA SER 17 HA SER 17 -1.335 19.348 -10.086 122 HB2 SER 17 2HB SER 17 -0.272 17.641 -12.348 123 HB3 SER 17 3HB SER 17 0.449 19.157 -11.810 124 HG SER 17 HG SER 17 0.050 16.899 -10.140 125 H ASN 18 H ASN 18 -3.560 18.183 -12.310 126 HA ASN 18 HA ASN 18 -3.343 20.402 -14.166 127 HB2 ASN 18 2HB ASN 18 -4.417 17.793 -14.280 128 HB3 ASN 18 3HB ASN 18 -5.777 18.897 -14.470 129 HD21 ASN 18 1HD2 ASN 18 -4.235 17.066 -16.317 130 HD22 ASN 18 2HD2 ASN 18 -3.865 18.061 -17.681 131 H VAL 19 H VAL 19 -4.365 20.286 -11.143 132 HA VAL 19 HA VAL 19 -6.935 21.595 -11.435 133 HB VAL 19 HB VAL 19 -6.402 20.012 -9.546 134 HG11 VAL 19 1HG1 VAL 19 -4.137 21.460 -9.247 135 HG12 VAL 19 2HG1 VAL 19 -5.154 22.176 -7.995 136 HG13 VAL 19 3HG1 VAL 19 -4.835 20.441 -7.988 137 HG21 VAL 19 1HG2 VAL 19 -7.154 22.583 -8.280 138 HG22 VAL 19 2HG2 VAL 19 -8.132 22.039 -9.644 139 HG23 VAL 19 3HG2 VAL 19 -7.955 21.013 -8.221 140 H ALA 20 H ALA 20 -7.355 23.735 -11.165 141 HA ALA 20 HA ALA 20 -5.189 25.572 -11.500 142 HB1 ALA 20 1HB ALA 20 -8.160 25.883 -11.224 143 HB2 ALA 20 2HB ALA 20 -7.086 27.281 -11.266 144 HB3 ALA 20 3HB ALA 20 -7.140 26.171 -12.635 145 H VAL 21 H VAL 21 -3.876 25.896 -9.802 146 HA VAL 21 HA VAL 21 -4.525 25.699 -7.104 147 HB VAL 21 HB VAL 21 -2.405 27.525 -8.233 148 HG11 VAL 21 1HG1 VAL 21 -2.793 26.164 -5.581 149 HG12 VAL 21 2HG1 VAL 21 -1.238 26.819 -6.098 150 HG13 VAL 21 3HG1 VAL 21 -2.630 27.888 -5.911 151 HG21 VAL 21 1HG2 VAL 21 -2.656 24.638 -8.362 152 HG22 VAL 21 2HG2 VAL 21 -1.506 25.708 -9.165 153 HG23 VAL 21 3HG2 VAL 21 -1.187 25.142 -7.526 154 H GLY 22 H GLY 22 -5.078 28.277 -9.351 155 HA2 GLY 22 2HA GLY 22 -5.780 30.111 -7.160 156 HA3 GLY 22 3HA GLY 22 -5.506 30.576 -8.832 157 H VAL 23 H VAL 23 -7.649 31.673 -7.947 158 HA VAL 23 HA VAL 23 -9.926 29.916 -8.562 159 HB VAL 23 HB VAL 23 -11.345 31.551 -7.466 160 HG11 VAL 23 1HG1 VAL 23 -10.513 29.919 -5.983 161 HG12 VAL 23 2HG1 VAL 23 -8.920 30.676 -5.918 162 HG13 VAL 23 3HG1 VAL 23 -10.302 31.461 -5.153 163 HG21 VAL 23 1HG2 VAL 23 -10.642 33.677 -7.639 164 HG22 VAL 23 2HG2 VAL 23 -9.780 33.334 -6.138 165 HG23 VAL 23 3HG2 VAL 23 -8.940 33.217 -7.685 166 H GLY 24 H GLY 24 -8.274 32.848 -9.516 167 HA2 GLY 24 2HA GLY 24 -9.227 32.800 -12.145 168 HA3 GLY 24 3HA GLY 24 -10.249 33.901 -11.232 169 H GLY 25 H GLY 25 -7.006 33.302 -12.420 170 HA2 GLY 25 2HA GLY 25 -6.441 35.976 -12.950 171 HA3 GLY 25 3HA GLY 25 -5.797 35.629 -11.351 172 H LYS 26 H LYS 26 -4.065 34.193 -11.126 173 HA LYS 26 HA LYS 26 -2.319 34.100 -13.409 174 HB2 LYS 26 2HB LYS 26 -1.938 34.198 -10.681 175 HB3 LYS 26 3HB LYS 26 -1.507 32.537 -11.070 176 HG2 LYS 26 2HG LYS 26 0.508 33.331 -11.562 177 HG3 LYS 26 3HG LYS 26 -0.227 33.985 -13.028 178 HD2 LYS 26 2HD LYS 26 0.588 35.939 -12.251 179 HD3 LYS 26 3HD LYS 26 -0.869 35.919 -11.254 180 HE2 LYS 26 2HE LYS 26 0.644 34.551 -9.612 181 HE3 LYS 26 3HE LYS 26 1.958 35.312 -10.508 182 HZ1 LYS 26 1HZ LYS 26 -0.264 36.859 -9.304 183 HZ2 LYS 26 2HZ LYS 26 1.212 37.443 -9.890 184 HZ3 LYS 26 3HZ LYS 26 1.171 36.522 -8.472 185 H SER 27 H SER 27 -2.128 32.500 -14.826 186 HA SER 27 HA SER 27 -3.683 30.103 -14.536 187 HB2 SER 27 2HB SER 27 -2.700 29.522 -16.768 188 HB3 SER 27 3HB SER 27 -3.510 31.089 -16.733 189 HG SER 27 HG SER 27 -1.536 32.098 -16.679 190 H LYS 28 H LYS 28 -2.633 29.295 -12.599 191 HA LYS 28 HA LYS 28 -0.251 27.711 -13.267 192 HB2 LYS 28 2HB LYS 28 -0.284 29.877 -11.466 193 HB3 LYS 28 3HB LYS 28 -0.243 28.425 -10.475 194 HG2 LYS 28 2HG LYS 28 1.669 28.943 -12.738 195 HG3 LYS 28 3HG LYS 28 1.990 29.386 -11.060 196 HD2 LYS 28 2HD LYS 28 2.338 27.240 -10.420 197 HD3 LYS 28 3HD LYS 28 1.128 26.600 -11.536 198 HE2 LYS 28 2HE LYS 28 2.681 26.128 -13.062 199 HE3 LYS 28 3HE LYS 28 3.361 27.751 -12.961 200 HZ1 LYS 28 1HZ LYS 28 5.012 26.136 -12.354 201 HZ2 LYS 28 2HZ LYS 28 3.997 25.463 -11.180 202 HZ3 LYS 28 3HZ LYS 28 4.595 27.033 -10.981 203 H LYS 29 H LYS 29 -0.418 25.623 -12.739 204 HA LYS 29 HA LYS 29 -2.645 24.827 -10.982 205 HB2 LYS 29 2HB LYS 29 -1.362 23.164 -13.154 206 HB3 LYS 29 3HB LYS 29 -2.808 22.771 -12.233 207 HG2 LYS 29 2HG LYS 29 -3.892 23.580 -14.011 208 HG3 LYS 29 3HG LYS 29 -3.512 25.157 -13.315 209 HD2 LYS 29 2HD LYS 29 -1.244 24.694 -14.688 210 HD3 LYS 29 3HD LYS 29 -2.392 23.805 -15.691 211 HE2 LYS 29 2HE LYS 29 -3.479 25.686 -16.349 212 HE3 LYS 29 3HE LYS 29 -3.203 26.512 -14.817 213 HZ1 LYS 29 1HZ LYS 29 -1.974 27.276 -16.959 214 HZ2 LYS 29 2HZ LYS 29 -0.923 26.002 -16.595 215 HZ3 LYS 29 3HZ LYS 29 -1.155 27.252 -15.479 216 H PHE 30 H PHE 30 -2.306 22.764 -9.806 217 HA PHE 30 HA PHE 30 -0.027 22.863 -8.202 218 HB2 PHE 30 2HB PHE 30 -2.422 21.412 -8.240 219 HB3 PHE 30 3HB PHE 30 -1.149 20.196 -8.285 220 HD1 PHE 30 HD1 PHE 30 0.303 19.846 -6.414 221 HD2 PHE 30 HD2 PHE 30 -2.627 22.933 -6.344 222 HE1 PHE 30 HE1 PHE 30 0.631 20.097 -3.988 223 HE2 PHE 30 HE2 PHE 30 -2.302 23.190 -3.919 224 HZ PHE 30 HZ PHE 30 -0.671 21.772 -2.738 225 H GLY 31 H GLY 31 1.491 20.953 -7.874 226 HA2 GLY 31 2HA GLY 31 2.226 19.627 -10.380 227 HA3 GLY 31 3HA GLY 31 3.416 20.691 -9.646 228 H GLU 32 H GLU 32 4.099 18.109 -10.051 229 HA GLU 32 HA GLU 32 3.514 16.264 -8.056 230 HB2 GLU 32 2HB GLU 32 5.692 15.221 -8.632 231 HB3 GLU 32 3HB GLU 32 4.712 15.602 -10.041 232 HG2 GLU 32 2HG GLU 32 6.620 16.462 -10.830 233 HG3 GLU 32 3HG GLU 32 6.176 17.857 -9.848 234 H GLY 33 H GLY 33 5.999 18.788 -8.144 235 HA2 GLY 33 2HA GLY 33 7.309 18.119 -5.754 236 HA3 GLY 33 3HA GLY 33 7.277 19.719 -6.481 237 H ASN 34 H ASN 34 4.717 20.504 -6.299 238 HA ASN 34 HA ASN 34 4.465 21.324 -3.638 239 HB2 ASN 34 2HB ASN 34 2.302 21.213 -5.754 240 HB3 ASN 34 3HB ASN 34 2.267 22.189 -4.288 241 HD21 ASN 34 1HD2 ASN 34 3.652 23.972 -4.113 242 HD22 ASN 34 2HD2 ASN 34 4.364 24.700 -5.508 243 H PHE 35 H PHE 35 2.849 18.722 -5.412 244 HA PHE 35 HA PHE 35 0.997 17.950 -3.494 245 HB2 PHE 35 2HB PHE 35 0.832 16.979 -5.655 246 HB3 PHE 35 3HB PHE 35 2.480 16.366 -5.587 247 HD1 PHE 35 HD1 PHE 35 -0.696 16.080 -3.645 248 HD2 PHE 35 HD2 PHE 35 2.736 14.120 -5.226 249 HE1 PHE 35 HE1 PHE 35 -1.536 13.929 -2.796 250 HE2 PHE 35 HE2 PHE 35 1.901 11.967 -4.380 251 HZ PHE 35 HZ PHE 35 -0.239 11.869 -3.164 252 H ARG 36 H ARG 36 4.366 16.919 -3.897 253 HA ARG 36 HA ARG 36 4.423 15.023 -1.838 254 HB2 ARG 36 2HB ARG 36 6.738 16.765 -2.690 255 HB3 ARG 36 3HB ARG 36 6.817 15.166 -1.961 256 HG2 ARG 36 2HG ARG 36 5.255 14.946 -4.305 257 HG3 ARG 36 3HG ARG 36 6.703 15.871 -4.710 258 HD2 ARG 36 2HD ARG 36 7.526 13.770 -5.007 259 HD3 ARG 36 3HD ARG 36 7.864 13.960 -3.287 260 HE ARG 36 HE ARG 36 5.336 12.867 -3.454 261 HH11 ARG 36 1HH1 ARG 36 8.560 11.989 -4.431 262 HH12 ARG 36 2HH1 ARG 36 8.279 10.285 -4.292 263 HH21 ARG 36 1HH2 ARG 36 4.953 10.627 -3.267 264 HH22 ARG 36 2HH2 ARG 36 6.227 9.511 -3.631 265 H TRP 37 H TRP 37 5.427 18.442 -1.790 266 HA TRP 37 HA TRP 37 6.167 18.618 0.871 267 HB2 TRP 37 2HB TRP 37 6.663 20.468 -0.512 268 HB3 TRP 37 3HB TRP 37 4.986 20.644 -1.019 269 HD1 TRP 37 HD1 TRP 37 7.422 21.744 1.639 270 HE1 TRP 37 HE1 TRP 37 6.261 23.396 3.235 271 HE3 TRP 37 HE3 TRP 37 2.598 21.153 0.052 272 HZ2 TRP 37 HZ2 TRP 37 3.647 24.325 3.754 273 HZ3 TRP 37 HZ3 TRP 37 0.826 22.459 1.152 274 HH2 TRP 37 HH2 TRP 37 1.342 24.011 2.964 275 H ALA 38 H ALA 38 2.978 18.587 -0.554 276 HA ALA 38 HA ALA 38 1.643 19.400 1.869 277 HB1 ALA 38 1HB ALA 38 0.895 18.873 -0.897 278 HB2 ALA 38 2HB ALA 38 -0.290 18.280 0.268 279 HB3 ALA 38 3HB ALA 38 0.184 19.978 0.280 280 H ILE 39 H ILE 39 1.422 16.410 -0.073 281 HA ILE 39 HA ILE 39 0.129 14.834 1.776 282 HB ILE 39 HB ILE 39 0.572 14.155 -0.559 283 HG12 ILE 39 2HG1 ILE 39 1.609 12.136 1.440 284 HG13 ILE 39 3HG1 ILE 39 -0.093 12.516 1.208 285 HG21 ILE 39 1HG2 ILE 39 3.316 13.316 0.323 286 HG22 ILE 39 2HG2 ILE 39 2.661 13.402 -1.311 287 HG23 ILE 39 3HG2 ILE 39 3.015 14.885 -0.424 288 HD11 ILE 39 1HD1 ILE 39 0.595 10.465 0.055 289 HD12 ILE 39 2HD1 ILE 39 0.001 11.698 -1.059 290 HD13 ILE 39 3HD1 ILE 39 1.733 11.406 -0.908 291 H ARG 40 H ARG 40 3.544 15.626 1.575 292 HA ARG 40 HA ARG 40 4.378 13.734 3.548 293 HB2 ARG 40 2HB ARG 40 5.874 14.696 1.790 294 HB3 ARG 40 3HB ARG 40 5.804 16.237 2.636 295 HG2 ARG 40 2HG ARG 40 6.635 14.837 4.672 296 HG3 ARG 40 3HG ARG 40 7.157 13.702 3.425 297 HD2 ARG 40 2HD ARG 40 8.472 15.443 2.358 298 HD3 ARG 40 3HD ARG 40 7.900 16.623 3.538 299 HE ARG 40 HE ARG 40 10.006 14.724 3.889 300 HH11 ARG 40 1HH1 ARG 40 7.520 16.513 5.545 301 HH12 ARG 40 2HH1 ARG 40 8.336 16.485 7.073 302 HH21 ARG 40 1HH2 ARG 40 11.089 14.681 5.895 303 HH22 ARG 40 2HH2 ARG 40 10.366 15.443 7.271 304 H MET 41 H MET 41 4.121 17.295 3.608 305 HA MET 41 HA MET 41 4.634 17.655 6.312 306 HB2 MET 41 2HB MET 41 4.511 19.470 4.616 307 HB3 MET 41 3HB MET 41 2.760 19.301 4.604 308 HG2 MET 41 2HG MET 41 2.673 20.799 6.225 309 HG3 MET 41 3HG MET 41 3.437 19.617 7.286 310 HE1 MET 41 1HE MET 41 4.391 22.648 8.336 311 HE2 MET 41 2HE MET 41 4.372 20.944 8.788 312 HE3 MET 41 3HE MET 41 5.907 21.798 8.637 313 H ALA 42 H ALA 42 1.689 16.698 4.685 314 HA ALA 42 HA ALA 42 -0.058 17.098 6.897 315 HB1 ALA 42 1HB ALA 42 -1.643 15.718 5.613 316 HB2 ALA 42 2HB ALA 42 -0.928 17.005 4.641 317 HB3 ALA 42 3HB ALA 42 -0.359 15.345 4.461 318 H ASN 43 H ASN 43 1.557 14.221 5.566 319 HA ASN 43 HA ASN 43 0.547 12.352 7.376 320 HB2 ASN 43 2HB ASN 43 3.213 12.393 5.948 321 HB3 ASN 43 3HB ASN 43 2.547 10.991 6.779 322 HD21 ASN 43 1HD2 ASN 43 3.246 11.075 4.057 323 HD22 ASN 43 2HD2 ASN 43 1.806 10.854 3.127 324 H VAL 44 H VAL 44 3.586 14.201 7.511 325 HA VAL 44 HA VAL 44 4.507 13.195 9.954 326 HB VAL 44 HB VAL 44 4.979 15.949 8.802 327 HG11 VAL 44 1HG1 VAL 44 6.141 14.456 11.096 328 HG12 VAL 44 2HG1 VAL 44 7.211 15.473 10.130 329 HG13 VAL 44 3HG1 VAL 44 5.802 16.177 10.923 330 HG21 VAL 44 1HG2 VAL 44 5.804 13.352 7.919 331 HG22 VAL 44 2HG2 VAL 44 6.133 14.928 7.201 332 HG23 VAL 44 3HG2 VAL 44 7.211 14.280 8.437 333 H SER 45 H SER 45 2.496 16.030 9.245 334 HA SER 45 HA SER 45 2.324 17.051 11.838 335 HB2 SER 45 2HB SER 45 0.872 17.392 9.313 336 HB3 SER 45 3HB SER 45 -0.131 17.656 10.740 337 HG SER 45 HG SER 45 2.401 18.821 10.709 338 H THR 46 H THR 46 0.834 14.292 10.400 339 HA THR 46 HA THR 46 -1.103 14.042 12.577 340 HB THR 46 HB THR 46 -1.527 11.816 11.114 341 HG1 THR 46 HG1 THR 46 -0.775 12.000 9.139 342 HG21 THR 46 1HG2 THR 46 -2.566 14.612 10.806 343 HG22 THR 46 2HG2 THR 46 -3.347 13.206 11.530 344 HG23 THR 46 3HG2 THR 46 -3.170 13.312 9.779 345 H GLY 47 H GLY 47 1.958 12.843 11.565 346 HA2 GLY 47 2HA GLY 47 3.451 11.549 12.781 347 HA3 GLY 47 3HA GLY 47 2.196 11.288 13.984 348 H ARG 48 H ARG 48 1.689 10.632 10.590 349 HA ARG 48 HA ARG 48 1.305 7.810 11.246 350 HB2 ARG 48 2HB ARG 48 -0.361 9.332 9.928 351 HB3 ARG 48 3HB ARG 48 0.705 9.013 8.567 352 HG2 ARG 48 2HG ARG 48 -0.619 7.246 8.224 353 HG3 ARG 48 3HG ARG 48 0.310 6.505 9.529 354 HD2 ARG 48 2HD ARG 48 -2.019 8.189 10.270 355 HD3 ARG 48 3HD ARG 48 -2.345 6.610 9.557 356 HE ARG 48 HE ARG 48 -0.448 6.319 11.608 357 HH11 ARG 48 1HH1 ARG 48 -3.818 7.068 11.155 358 HH12 ARG 48 2HH1 ARG 48 -4.299 6.437 12.695 359 HH21 ARG 48 1HH2 ARG 48 -1.070 5.486 13.639 360 HH22 ARG 48 2HH2 ARG 48 -2.735 5.538 14.107 361 H GLU 49 H GLU 49 3.940 8.443 11.288 362 HA GLU 49 HA GLU 49 5.963 7.774 10.492 363 HB2 GLU 49 2HB GLU 49 4.046 5.912 9.286 364 HB3 GLU 49 3HB GLU 49 5.541 6.073 8.375 365 HG2 GLU 49 2HG GLU 49 5.973 4.312 9.809 366 HG3 GLU 49 3HG GLU 49 6.716 5.688 10.623 367 HA PRO 50 HA PRO 50 7.016 10.320 7.080 368 HB2 PRO 50 2HB PRO 50 9.212 9.077 6.077 369 HB3 PRO 50 3HB PRO 50 9.222 9.957 7.610 370 HG2 PRO 50 2HG PRO 50 8.992 7.013 7.115 371 HG3 PRO 50 3HG PRO 50 9.954 7.871 8.333 372 HD2 PRO 50 2HD PRO 50 7.583 6.698 8.911 373 HD3 PRO 50 3HD PRO 50 8.148 8.166 9.735 374 H GLY 51 H GLY 51 7.285 6.869 6.191 375 HA2 GLY 51 2HA GLY 51 6.573 7.473 3.442 376 HA3 GLY 51 3HA GLY 51 6.986 5.893 4.091 377 H ASP 52 H ASP 52 4.427 8.361 4.311 378 HA ASP 52 HA ASP 52 2.473 6.177 4.583 379 HB2 ASP 52 2HB ASP 52 2.740 8.138 6.325 380 HB3 ASP 52 3HB ASP 52 1.776 9.029 5.151 381 H ILE 53 H ILE 53 2.448 5.800 2.305 382 HA ILE 53 HA ILE 53 1.148 7.927 0.738 383 HB ILE 53 HB ILE 53 3.251 7.281 -0.247 384 HG12 ILE 53 2HG1 ILE 53 2.505 6.636 -2.466 385 HG13 ILE 53 3HG1 ILE 53 1.006 5.987 -1.810 386 HG21 ILE 53 1HG2 ILE 53 4.042 5.232 0.070 387 HG22 ILE 53 2HG2 ILE 53 2.466 4.664 0.619 388 HG23 ILE 53 3HG2 ILE 53 2.865 4.635 -1.099 389 HD11 ILE 53 1HD1 ILE 53 0.660 8.148 -2.865 390 HD12 ILE 53 2HD1 ILE 53 0.328 8.226 -1.133 391 HD13 ILE 53 3HD1 ILE 53 1.837 8.879 -1.773 392 HA PRO 54 HA PRO 54 -2.159 4.785 1.376 393 HB2 PRO 54 2HB PRO 54 -4.160 6.614 1.525 394 HB3 PRO 54 3HB PRO 54 -3.176 6.150 2.919 395 HG2 PRO 54 2HG PRO 54 -2.937 8.551 1.148 396 HG3 PRO 54 3HG PRO 54 -2.812 8.446 2.913 397 HD2 PRO 54 2HD PRO 54 -0.638 8.591 1.306 398 HD3 PRO 54 3HD PRO 54 -0.633 7.699 2.843 399 H GLU 55 H GLU 55 -4.034 4.308 0.040 400 HA GLU 55 HA GLU 55 -4.239 5.764 -2.478 401 HB2 GLU 55 2HB GLU 55 -2.624 3.568 -2.382 402 HB3 GLU 55 3HB GLU 55 -4.161 2.842 -2.835 403 HG2 GLU 55 2HG GLU 55 -3.587 3.344 -4.922 404 HG3 GLU 55 3HG GLU 55 -4.030 4.998 -4.506 405 H THR 56 H THR 56 -6.029 5.649 -0.325 406 HA THR 56 HA THR 56 -8.330 4.451 -1.664 407 HB THR 56 HB THR 56 -9.161 3.309 0.249 408 HG1 THR 56 HG1 THR 56 -8.591 3.891 2.199 409 HG21 THR 56 1HG2 THR 56 -7.488 2.047 -0.996 410 HG22 THR 56 2HG2 THR 56 -7.391 1.661 0.722 411 HG23 THR 56 3HG2 THR 56 -6.204 2.742 -0.007 412 H LEU 57 H LEU 57 -10.136 5.667 -1.512 413 HA LEU 57 HA LEU 57 -10.060 8.317 -0.753 414 HB2 LEU 57 2HB LEU 57 -11.927 6.596 -1.876 415 HB3 LEU 57 3HB LEU 57 -12.711 7.192 -0.413 416 HG LEU 57 HG LEU 57 -11.464 9.183 -2.237 417 HD11 LEU 57 1HD1 LEU 57 -13.174 7.284 -3.291 418 HD12 LEU 57 2HD1 LEU 57 -12.824 8.873 -3.969 419 HD13 LEU 57 3HD1 LEU 57 -14.227 8.649 -2.924 420 HD21 LEU 57 1HD2 LEU 57 -12.980 10.636 -1.302 421 HD22 LEU 57 2HD2 LEU 57 -12.697 9.529 0.041 422 HD23 LEU 57 3HD2 LEU 57 -14.149 9.364 -0.949 423 H ASP 58 H ASP 58 -10.808 5.494 1.172 424 HA ASP 58 HA ASP 58 -11.921 6.860 3.393 425 HB2 ASP 58 2HB ASP 58 -10.740 4.126 2.993 426 HB3 ASP 58 3HB ASP 58 -11.187 4.682 4.604 427 H GLN 59 H GLN 59 -8.644 5.942 2.500 428 HA GLN 59 HA GLN 59 -7.440 6.579 4.985 429 HB2 GLN 59 2HB GLN 59 -6.543 5.869 2.280 430 HB3 GLN 59 3HB GLN 59 -5.437 6.923 3.150 431 HG2 GLN 59 2HG GLN 59 -5.191 5.355 4.912 432 HG3 GLN 59 3HG GLN 59 -6.515 4.367 4.300 433 HE21 GLN 59 1HE2 GLN 59 -6.066 3.920 1.782 434 HE22 GLN 59 2HE2 GLN 59 -4.526 3.192 1.496 435 H LEU 60 H LEU 60 -8.006 8.416 2.023 436 HA LEU 60 HA LEU 60 -6.554 10.720 2.820 437 HB2 LEU 60 2HB LEU 60 -8.548 10.084 0.702 438 HB3 LEU 60 3HB LEU 60 -8.200 11.776 1.052 439 HG LEU 60 HG LEU 60 -6.922 10.801 -0.865 440 HD11 LEU 60 1HD1 LEU 60 -4.650 11.471 0.631 441 HD12 LEU 60 2HD1 LEU 60 -5.982 12.395 1.326 442 HD13 LEU 60 3HD1 LEU 60 -5.618 12.531 -0.394 443 HD21 LEU 60 1HD2 LEU 60 -5.297 9.374 1.218 444 HD22 LEU 60 2HD2 LEU 60 -5.219 9.223 -0.538 445 HD23 LEU 60 3HD2 LEU 60 -6.604 8.577 0.343 446 H ARG 61 H ARG 61 -9.855 9.646 3.282 447 HA ARG 61 HA ARG 61 -10.853 12.152 4.215 448 HB2 ARG 61 2HB ARG 61 -12.238 10.260 3.268 449 HB3 ARG 61 3HB ARG 61 -11.990 9.416 4.791 450 HG2 ARG 61 2HG ARG 61 -12.938 11.623 5.826 451 HG3 ARG 61 3HG ARG 61 -13.613 11.843 4.209 452 HD2 ARG 61 2HD ARG 61 -14.159 9.194 4.829 453 HD3 ARG 61 3HD ARG 61 -14.438 10.060 6.339 454 HE ARG 61 HE ARG 61 -15.670 11.412 4.180 455 HH11 ARG 61 1HH1 ARG 61 -16.004 8.597 6.200 456 HH12 ARG 61 2HH1 ARG 61 -17.727 8.522 6.034 457 HH21 ARG 61 1HH2 ARG 61 -17.937 11.325 3.955 458 HH22 ARG 61 2HH2 ARG 61 -18.825 10.073 4.756 459 H LEU 62 H LEU 62 -9.373 9.353 5.717 460 HA LEU 62 HA LEU 62 -10.004 10.065 8.400 461 HB2 LEU 62 2HB LEU 62 -9.486 7.792 7.915 462 HB3 LEU 62 3HB LEU 62 -7.935 8.236 7.205 463 HG LEU 62 HG LEU 62 -7.151 8.921 9.455 464 HD11 LEU 62 1HD1 LEU 62 -8.531 7.973 11.377 465 HD12 LEU 62 2HD1 LEU 62 -9.874 7.929 10.235 466 HD13 LEU 62 3HD1 LEU 62 -9.103 9.465 10.630 467 HD21 LEU 62 1HD2 LEU 62 -8.158 6.081 9.322 468 HD22 LEU 62 2HD2 LEU 62 -6.810 6.680 10.290 469 HD23 LEU 62 3HD2 LEU 62 -6.700 6.677 8.529 470 H VAL 63 H VAL 63 -7.228 10.623 6.289 471 HA VAL 63 HA VAL 63 -5.555 11.798 8.246 472 HB VAL 63 HB VAL 63 -5.538 12.251 5.259 473 HG11 VAL 63 1HG1 VAL 63 -2.970 12.488 6.054 474 HG12 VAL 63 2HG1 VAL 63 -4.075 13.852 5.874 475 HG13 VAL 63 3HG1 VAL 63 -3.802 13.140 7.465 476 HG21 VAL 63 1HG2 VAL 63 -3.463 10.525 6.173 477 HG22 VAL 63 2HG2 VAL 63 -5.011 9.906 6.750 478 HG23 VAL 63 3HG2 VAL 63 -4.760 10.184 5.027 479 H ILE 64 H ILE 64 -7.754 13.202 5.835 480 HA ILE 64 HA ILE 64 -7.233 15.900 6.480 481 HB ILE 64 HB ILE 64 -8.318 15.223 4.380 482 HG12 ILE 64 2HG1 ILE 64 -10.138 17.011 6.002 483 HG13 ILE 64 3HG1 ILE 64 -8.583 17.527 5.357 484 HG21 ILE 64 1HG2 ILE 64 -10.703 14.609 6.119 485 HG22 ILE 64 2HG2 ILE 64 -10.684 14.603 4.357 486 HG23 ILE 64 3HG2 ILE 64 -9.719 13.431 5.253 487 HD11 ILE 64 1HD1 ILE 64 -11.154 17.092 3.991 488 HD12 ILE 64 2HD1 ILE 64 -9.874 18.262 3.670 489 HD13 ILE 64 3HD1 ILE 64 -9.707 16.596 3.114 490 H CYS 65 H CYS 65 -9.433 13.517 7.804 491 HA CYS 65 HA CYS 65 -11.095 15.261 9.260 492 HB2 CYS 65 2HB CYS 65 -10.597 12.385 9.132 493 HB3 CYS 65 3HB CYS 65 -11.011 12.931 10.752 494 HG CYS 65 HG CYS 65 -13.527 13.514 10.322 495 H ASP 66 H ASP 66 -8.323 13.308 10.370 496 HA ASP 66 HA ASP 66 -8.242 14.450 12.955 497 HB2 ASP 66 2HB ASP 66 -5.982 13.129 11.439 498 HB3 ASP 66 3HB ASP 66 -6.086 13.348 13.183 499 H LEU 67 H LEU 67 -6.492 15.171 9.964 500 HA LEU 67 HA LEU 67 -4.738 17.092 11.017 501 HB2 LEU 67 2HB LEU 67 -4.475 16.049 8.812 502 HB3 LEU 67 3HB LEU 67 -5.898 16.918 8.240 503 HG LEU 67 HG LEU 67 -4.414 19.004 9.012 504 HD11 LEU 67 1HD1 LEU 67 -2.615 16.841 9.208 505 HD12 LEU 67 2HD1 LEU 67 -2.273 18.564 9.363 506 HD13 LEU 67 3HD1 LEU 67 -2.149 17.780 7.789 507 HD21 LEU 67 1HD2 LEU 67 -5.392 18.174 6.707 508 HD22 LEU 67 2HD2 LEU 67 -3.696 17.813 6.383 509 HD23 LEU 67 3HD2 LEU 67 -4.186 19.459 6.785 510 H GLN 68 H GLN 68 -7.925 17.453 9.489 511 HA GLN 68 HA GLN 68 -8.092 20.230 9.551 512 HB2 GLN 68 2HB GLN 68 -9.696 18.891 8.325 513 HB3 GLN 68 3HB GLN 68 -10.283 18.167 9.817 514 HG2 GLN 68 2HG GLN 68 -10.408 21.114 9.614 515 HG3 GLN 68 3HG GLN 68 -11.515 20.186 8.605 516 HE21 GLN 68 1HE2 GLN 68 -12.775 21.673 10.282 517 HE22 GLN 68 2HE2 GLN 68 -13.352 20.810 11.664 518 H GLU 69 H GLU 69 -9.104 17.863 11.999 519 HA GLU 69 HA GLU 69 -10.211 19.622 13.843 520 HB2 GLU 69 2HB GLU 69 -9.572 16.888 13.758 521 HB3 GLU 69 3HB GLU 69 -8.754 17.518 15.181 522 HG2 GLU 69 2HG GLU 69 -10.733 17.037 16.142 523 HG3 GLU 69 3HG GLU 69 -11.136 18.647 15.550 524 H ARG 70 H ARG 70 -6.850 18.513 13.542 525 HA ARG 70 HA ARG 70 -5.897 20.031 15.750 526 HB2 ARG 70 2HB ARG 70 -4.399 18.857 13.400 527 HB3 ARG 70 3HB ARG 70 -3.654 19.498 14.858 528 HG2 ARG 70 2HG ARG 70 -4.510 17.754 16.187 529 HG3 ARG 70 3HG ARG 70 -5.634 17.244 14.925 530 HD2 ARG 70 2HD ARG 70 -3.744 16.566 13.524 531 HD3 ARG 70 3HD ARG 70 -2.625 17.074 14.788 532 HE ARG 70 HE ARG 70 -4.085 14.626 14.673 533 HH11 ARG 70 1HH1 ARG 70 -2.742 16.993 16.846 534 HH12 ARG 70 2HH1 ARG 70 -2.561 15.875 18.159 535 HH21 ARG 70 1HH2 ARG 70 -3.851 13.147 16.393 536 HH22 ARG 70 2HH2 ARG 70 -3.192 13.688 17.900 537 H ARG 71 H ARG 71 -6.360 20.688 12.359 538 HA ARG 71 HA ARG 71 -4.692 22.932 12.098 539 HB2 ARG 71 2HB ARG 71 -5.688 21.766 10.179 540 HB3 ARG 71 3HB ARG 71 -7.285 22.317 10.669 541 HG2 ARG 71 2HG ARG 71 -5.183 24.361 10.200 542 HG3 ARG 71 3HG ARG 71 -5.900 23.556 8.802 543 HD2 ARG 71 2HD ARG 71 -8.015 24.253 10.538 544 HD3 ARG 71 3HD ARG 71 -6.965 25.664 10.413 545 HE ARG 71 HE ARG 71 -7.614 24.439 7.887 546 HH11 ARG 71 1HH1 ARG 71 -8.562 26.774 10.289 547 HH12 ARG 71 2HH1 ARG 71 -9.510 27.716 9.187 548 HH21 ARG 71 1HH2 ARG 71 -8.859 25.672 6.426 549 HH22 ARG 71 2HH2 ARG 71 -9.679 27.089 6.991 550 H GLU 72 H GLU 72 -8.091 22.646 13.062 551 HA GLU 72 HA GLU 72 -8.497 25.455 13.338 552 HB2 GLU 72 2HB GLU 72 -10.061 23.049 13.611 553 HB3 GLU 72 3HB GLU 72 -10.348 24.115 14.980 554 HG2 GLU 72 2HG GLU 72 -10.638 25.944 13.165 555 HG3 GLU 72 3HG GLU 72 -10.881 24.575 12.082 556 H LYS 73 H LYS 73 -8.099 22.837 15.723 557 HA LYS 73 HA LYS 73 -8.111 24.405 18.018 558 HB2 LYS 73 2HB LYS 73 -7.060 21.721 17.303 559 HB3 LYS 73 3HB LYS 73 -6.443 22.446 18.781 560 HG2 LYS 73 2HG LYS 73 -8.438 22.294 19.857 561 HG3 LYS 73 3HG LYS 73 -9.379 22.460 18.373 562 HD2 LYS 73 2HD LYS 73 -8.742 20.173 17.734 563 HD3 LYS 73 3HD LYS 73 -7.835 20.013 19.240 564 HE2 LYS 73 2HE LYS 73 -10.724 20.775 19.312 565 HE3 LYS 73 3HE LYS 73 -10.268 19.089 19.070 566 HZ1 LYS 73 1HZ LYS 73 -10.543 20.295 21.467 567 HZ2 LYS 73 2HZ LYS 73 -8.870 20.375 21.234 568 HZ3 LYS 73 3HZ LYS 73 -9.659 18.879 21.193 569 H PHE 74 H PHE 74 -5.652 23.980 15.621 570 HA PHE 74 HA PHE 74 -3.611 25.207 17.311 571 HB2 PHE 74 2HB PHE 74 -2.940 23.288 15.949 572 HB3 PHE 74 3HB PHE 74 -3.451 24.128 14.488 573 HD1 PHE 74 HD1 PHE 74 -1.746 24.950 13.212 574 HD2 PHE 74 HD2 PHE 74 -1.293 24.879 17.443 575 HE1 PHE 74 HE1 PHE 74 0.503 25.923 12.984 576 HE2 PHE 74 HE2 PHE 74 0.956 25.853 17.223 577 HZ PHE 74 HZ PHE 74 1.856 26.377 14.991 578 H GLY 75 H GLY 75 -5.796 25.978 14.739 579 HA2 GLY 75 2HA GLY 75 -6.389 28.304 14.416 580 HA3 GLY 75 3HA GLY 75 -4.707 28.719 14.711 581 H SER 76 H SER 76 -5.918 29.758 12.528 582 HA SER 76 HA SER 76 -5.719 28.208 10.179 583 HB2 SER 76 2HB SER 76 -5.941 30.298 8.977 584 HB3 SER 76 3HB SER 76 -7.008 30.340 10.380 585 HG SER 76 HG SER 76 -5.504 31.632 11.439 586 H SER 77 H SER 77 -4.142 28.199 8.545 587 HA SER 77 HA SER 77 -1.645 29.543 8.807 588 HB2 SER 77 2HB SER 77 -0.731 28.097 10.296 589 HB3 SER 77 3HB SER 77 -1.930 26.846 9.967 590 HG SER 77 HG SER 77 0.528 27.331 8.744 591 H LYS 78 H LYS 78 -0.927 29.837 6.810 592 HA LYS 78 HA LYS 78 -2.130 28.813 4.534 593 HB2 LYS 78 2HB LYS 78 -0.100 29.618 3.325 594 HB3 LYS 78 3HB LYS 78 -0.800 30.810 4.411 595 HG2 LYS 78 2HG LYS 78 0.910 30.187 6.102 596 HG3 LYS 78 3HG LYS 78 1.655 29.138 4.894 597 HD2 LYS 78 2HD LYS 78 2.894 31.016 4.544 598 HD3 LYS 78 3HD LYS 78 1.550 31.373 3.456 599 HE2 LYS 78 2HE LYS 78 1.320 33.287 4.576 600 HE3 LYS 78 3HE LYS 78 0.684 32.319 5.904 601 HZ1 LYS 78 1HZ LYS 78 2.754 33.939 6.169 602 HZ2 LYS 78 2HZ LYS 78 3.581 32.533 5.721 603 HZ3 LYS 78 3HZ LYS 78 2.579 32.527 7.084 604 H GLU 79 H GLU 79 0.379 27.458 6.514 605 HA GLU 79 HA GLU 79 1.366 25.580 4.620 606 HB2 GLU 79 2HB GLU 79 1.696 26.102 7.505 607 HB3 GLU 79 3HB GLU 79 1.929 24.429 7.018 608 HG2 GLU 79 2HG GLU 79 3.861 24.864 5.968 609 HG3 GLU 79 3HG GLU 79 3.292 26.408 5.336 610 H ILE 80 H ILE 80 -0.618 25.041 7.539 611 HA ILE 80 HA ILE 80 -1.338 22.409 6.909 612 HB ILE 80 HB ILE 80 -2.866 24.405 8.583 613 HG12 ILE 80 2HG1 ILE 80 -0.806 22.327 9.359 614 HG13 ILE 80 3HG1 ILE 80 -0.560 24.069 9.357 615 HG21 ILE 80 1HG2 ILE 80 -4.271 22.539 7.949 616 HG22 ILE 80 2HG2 ILE 80 -3.030 21.397 8.465 617 HG23 ILE 80 3HG2 ILE 80 -3.842 22.413 9.655 618 HD11 ILE 80 1HD1 ILE 80 -1.745 22.367 11.367 619 HD12 ILE 80 2HD1 ILE 80 -1.153 24.024 11.491 620 HD13 ILE 80 3HD1 ILE 80 -2.798 23.714 10.937 621 H ASP 81 H ASP 81 -2.896 25.486 6.162 622 HA ASP 81 HA ASP 81 -5.313 24.521 5.158 623 HB2 ASP 81 2HB ASP 81 -5.088 26.865 5.546 624 HB3 ASP 81 3HB ASP 81 -3.706 26.978 4.458 625 H MET 82 H MET 82 -2.277 25.218 3.436 626 HA MET 82 HA MET 82 -3.129 24.511 0.877 627 HB2 MET 82 2HB MET 82 -0.919 25.616 1.673 628 HB3 MET 82 3HB MET 82 -0.333 23.966 1.826 629 HG2 MET 82 2HG MET 82 0.218 24.041 -0.311 630 HG3 MET 82 3HG MET 82 -1.501 24.079 -0.695 631 HE1 MET 82 1HE MET 82 -2.868 25.986 -1.085 632 HE2 MET 82 2HE MET 82 -2.452 27.197 0.128 633 HE3 MET 82 3HE MET 82 -2.332 27.590 -1.587 634 H ALA 83 H ALA 83 -1.598 22.521 3.390 635 HA ALA 83 HA ALA 83 -1.332 20.146 1.996 636 HB1 ALA 83 1HB ALA 83 -2.217 19.883 4.795 637 HB2 ALA 83 2HB ALA 83 -0.795 19.225 3.983 638 HB3 ALA 83 3HB ALA 83 -0.805 20.906 4.522 639 H ILE 84 H ILE 84 -4.153 21.388 3.748 640 HA ILE 84 HA ILE 84 -5.791 19.130 3.455 641 HB ILE 84 HB ILE 84 -6.600 22.032 3.663 642 HG12 ILE 84 2HG1 ILE 84 -6.582 19.961 5.853 643 HG13 ILE 84 3HG1 ILE 84 -5.183 20.975 5.519 644 HG21 ILE 84 1HG2 ILE 84 -8.732 21.005 4.585 645 HG22 ILE 84 2HG2 ILE 84 -8.482 20.881 2.844 646 HG23 ILE 84 3HG2 ILE 84 -8.181 19.486 3.880 647 HD11 ILE 84 1HD1 ILE 84 -6.459 22.959 6.006 648 HD12 ILE 84 2HD1 ILE 84 -7.921 21.998 6.229 649 HD13 ILE 84 3HD1 ILE 84 -6.573 21.827 7.353 650 H VAL 85 H VAL 85 -5.500 22.049 1.449 651 HA VAL 85 HA VAL 85 -7.463 21.368 -0.439 652 HB VAL 85 HB VAL 85 -4.986 23.053 -0.832 653 HG11 VAL 85 1HG1 VAL 85 -5.582 23.014 -2.985 654 HG12 VAL 85 2HG1 VAL 85 -7.141 22.270 -2.629 655 HG13 VAL 85 3HG1 VAL 85 -6.948 24.018 -2.500 656 HG21 VAL 85 1HG2 VAL 85 -7.080 23.513 0.877 657 HG22 VAL 85 2HG2 VAL 85 -6.023 24.749 0.196 658 HG23 VAL 85 3HG2 VAL 85 -7.568 24.388 -0.574 659 H THR 86 H THR 86 -4.207 20.280 -0.013 660 HA THR 86 HA THR 86 -3.873 19.272 -2.681 661 HB THR 86 HB THR 86 -2.310 18.705 -0.155 662 HG1 THR 86 HG1 THR 86 -2.355 20.892 -1.312 663 HG21 THR 86 1HG2 THR 86 -1.520 16.956 -1.332 664 HG22 THR 86 2HG2 THR 86 -0.634 18.179 -2.244 665 HG23 THR 86 3HG2 THR 86 -2.170 17.565 -2.854 666 H LEU 87 H LEU 87 -4.103 17.621 0.479 667 HA LEU 87 HA LEU 87 -4.397 15.040 -0.443 668 HB2 LEU 87 2HB LEU 87 -5.659 14.637 1.700 669 HB3 LEU 87 3HB LEU 87 -4.061 15.362 1.862 670 HG LEU 87 HG LEU 87 -5.439 17.602 1.922 671 HD11 LEU 87 1HD1 LEU 87 -7.635 17.174 1.712 672 HD12 LEU 87 2HD1 LEU 87 -7.528 16.799 3.431 673 HD13 LEU 87 3HD1 LEU 87 -7.470 15.499 2.241 674 HD21 LEU 87 1HD2 LEU 87 -4.261 17.346 3.826 675 HD22 LEU 87 2HD2 LEU 87 -4.699 15.647 3.999 676 HD23 LEU 87 3HD2 LEU 87 -5.831 16.905 4.496 677 H LYS 88 H LYS 88 -6.743 17.613 -0.338 678 HA LYS 88 HA LYS 88 -9.027 15.943 -0.786 679 HB2 LYS 88 2HB LYS 88 -8.482 18.838 -0.575 680 HB3 LYS 88 3HB LYS 88 -9.844 18.401 -1.597 681 HG2 LYS 88 2HG LYS 88 -11.085 17.624 0.143 682 HG3 LYS 88 3HG LYS 88 -9.670 17.142 1.083 683 HD2 LYS 88 2HD LYS 88 -9.389 19.221 1.983 684 HD3 LYS 88 3HD LYS 88 -10.065 20.041 0.572 685 HE2 LYS 88 2HE LYS 88 -12.237 19.758 1.282 686 HE3 LYS 88 3HE LYS 88 -11.846 18.343 2.258 687 HZ1 LYS 88 1HZ LYS 88 -11.280 19.602 4.019 688 HZ2 LYS 88 2HZ LYS 88 -12.296 20.740 3.291 689 HZ3 LYS 88 3HZ LYS 88 -10.621 20.846 3.082 690 H VAL 89 H VAL 89 -7.637 18.484 -2.870 691 HA VAL 89 HA VAL 89 -8.890 17.777 -5.219 692 HB VAL 89 HB VAL 89 -6.098 18.901 -4.938 693 HG11 VAL 89 1HG1 VAL 89 -6.651 19.892 -7.203 694 HG12 VAL 89 2HG1 VAL 89 -6.330 18.157 -7.168 695 HG13 VAL 89 3HG1 VAL 89 -7.990 18.746 -7.271 696 HG21 VAL 89 1HG2 VAL 89 -8.470 20.576 -5.574 697 HG22 VAL 89 2HG2 VAL 89 -8.249 20.050 -3.905 698 HG23 VAL 89 3HG2 VAL 89 -6.991 20.991 -4.706 699 H PHE 90 H PHE 90 -6.115 16.314 -3.691 700 HA PHE 90 HA PHE 90 -5.364 14.757 -5.991 701 HB2 PHE 90 2HB PHE 90 -3.685 15.424 -4.332 702 HB3 PHE 90 3HB PHE 90 -4.533 14.505 -3.092 703 HD1 PHE 90 HD1 PHE 90 -2.919 14.076 -6.419 704 HD2 PHE 90 HD2 PHE 90 -3.898 12.330 -2.663 705 HE1 PHE 90 HE1 PHE 90 -1.602 12.081 -7.006 706 HE2 PHE 90 HE2 PHE 90 -2.583 10.334 -3.243 707 HZ PHE 90 HZ PHE 90 -1.432 10.207 -5.416 708 H ALA 91 H ALA 91 -7.232 14.256 -3.052 709 HA ALA 91 HA ALA 91 -7.542 11.450 -3.334 710 HB1 ALA 91 1HB ALA 91 -9.221 13.460 -1.840 711 HB2 ALA 91 2HB ALA 91 -9.365 11.708 -1.690 712 HB3 ALA 91 3HB ALA 91 -7.878 12.517 -1.193 713 H VAL 92 H VAL 92 -9.566 14.212 -4.265 714 HA VAL 92 HA VAL 92 -11.657 12.605 -5.358 715 HB VAL 92 HB VAL 92 -11.076 15.499 -5.986 716 HG11 VAL 92 1HG1 VAL 92 -13.007 13.721 -6.960 717 HG12 VAL 92 2HG1 VAL 92 -13.849 14.763 -5.812 718 HG13 VAL 92 3HG1 VAL 92 -12.961 15.472 -7.161 719 HG21 VAL 92 1HG2 VAL 92 -12.720 14.356 -3.730 720 HG22 VAL 92 2HG2 VAL 92 -11.159 15.160 -3.562 721 HG23 VAL 92 3HG2 VAL 92 -12.561 16.065 -4.134 722 H ALA 93 H ALA 93 -9.108 14.606 -6.843 723 HA ALA 93 HA ALA 93 -9.706 13.733 -9.495 724 HB1 ALA 93 1HB ALA 93 -7.080 14.925 -8.683 725 HB2 ALA 93 2HB ALA 93 -7.965 15.105 -10.199 726 HB3 ALA 93 3HB ALA 93 -8.546 15.905 -8.738 727 H GLY 94 H GLY 94 -8.164 12.238 -6.919 728 HA2 GLY 94 2HA GLY 94 -6.484 10.591 -8.693 729 HA3 GLY 94 3HA GLY 94 -6.278 10.740 -6.953 730 H LEU 95 H LEU 95 -8.009 9.820 -5.591 731 HA LEU 95 HA LEU 95 -8.524 7.149 -6.273 732 HB2 LEU 95 2HB LEU 95 -9.596 8.963 -4.137 733 HB3 LEU 95 3HB LEU 95 -10.158 7.301 -4.299 734 HG LEU 95 HG LEU 95 -8.491 7.387 -2.583 735 HD11 LEU 95 1HD1 LEU 95 -7.644 5.448 -3.251 736 HD12 LEU 95 2HD1 LEU 95 -6.667 6.238 -4.487 737 HD13 LEU 95 3HD1 LEU 95 -8.326 5.760 -4.847 738 HD21 LEU 95 1HD2 LEU 95 -6.481 8.465 -2.698 739 HD22 LEU 95 2HD2 LEU 95 -7.439 9.504 -3.754 740 HD23 LEU 95 3HD2 LEU 95 -6.361 8.293 -4.449 741 H LEU 96 H LEU 96 -10.691 9.966 -6.185 742 HA LEU 96 HA LEU 96 -12.935 8.487 -7.183 743 HB2 LEU 96 2HB LEU 96 -12.568 10.919 -5.920 744 HB3 LEU 96 3HB LEU 96 -13.066 11.367 -7.550 745 HG LEU 96 HG LEU 96 -14.701 9.309 -6.194 746 HD11 LEU 96 1HD1 LEU 96 -14.565 12.171 -5.284 747 HD12 LEU 96 2HD1 LEU 96 -14.437 10.707 -4.311 748 HD13 LEU 96 3HD1 LEU 96 -15.982 11.150 -5.036 749 HD21 LEU 96 1HD2 LEU 96 -14.898 10.802 -8.480 750 HD22 LEU 96 2HD2 LEU 96 -15.946 11.679 -7.365 751 HD23 LEU 96 3HD2 LEU 96 -16.233 9.968 -7.685 752 H ASN 97 H ASN 97 -10.165 9.573 -8.632 753 HA ASN 97 HA ASN 97 -9.512 9.985 -10.777 754 HB2 ASN 97 2HB ASN 97 -10.441 7.644 -10.921 755 HB3 ASN 97 3HB ASN 97 -11.939 8.347 -11.525 756 HD21 ASN 97 1HD2 ASN 97 -11.712 7.223 -13.470 757 HD22 ASN 97 2HD2 ASN 97 -10.578 7.717 -14.677 758 H MET 98 H MET 98 -11.359 11.892 -9.564 759 HA MET 98 HA MET 98 -13.087 12.770 -11.717 760 HB2 MET 98 2HB MET 98 -13.066 13.101 -8.936 761 HB3 MET 98 3HB MET 98 -12.742 14.701 -9.589 762 HG2 MET 98 2HG MET 98 -14.758 14.332 -11.085 763 HG3 MET 98 3HG MET 98 -15.127 12.947 -10.062 764 HE1 MET 98 1HE MET 98 -15.469 17.141 -9.965 765 HE2 MET 98 2HE MET 98 -14.512 17.146 -8.484 766 HE3 MET 98 3HE MET 98 -13.856 16.425 -9.955 767 H THR 99 H THR 99 -12.963 15.417 -11.812 768 HA THR 99 HA THR 99 -10.192 16.239 -12.224 769 HB THR 99 HB THR 99 -10.697 15.380 -14.397 770 HG1 THR 99 HG1 THR 99 -9.746 17.171 -15.009 771 HG21 THR 99 1HG2 THR 99 -12.809 16.861 -15.418 772 HG22 THR 99 2HG2 THR 99 -13.354 16.394 -13.807 773 HG23 THR 99 3HG2 THR 99 -12.850 15.159 -14.959 774 H VAL 100 H VAL 100 -11.179 17.368 -10.235 775 HA VAL 100 HA VAL 100 -13.114 19.329 -10.352 776 HB VAL 100 HB VAL 100 -11.890 18.569 -8.293 777 HG11 VAL 100 1HG1 VAL 100 -9.822 20.561 -9.220 778 HG12 VAL 100 2HG1 VAL 100 -9.832 19.710 -7.674 779 HG13 VAL 100 3HG1 VAL 100 -9.613 18.810 -9.175 780 HG21 VAL 100 1HG2 VAL 100 -11.701 21.499 -8.162 781 HG22 VAL 100 2HG2 VAL 100 -13.230 20.875 -8.781 782 HG23 VAL 100 3HG2 VAL 100 -12.653 20.377 -7.190 783 H SER 101 H SER 101 -13.003 21.627 -10.558 784 HA SER 101 HA SER 101 -11.370 22.454 -12.776 785 HB2 SER 101 2HB SER 101 -13.832 23.257 -11.665 786 HB3 SER 101 3HB SER 101 -12.757 24.647 -11.518 787 HG SER 101 HG SER 101 -13.474 24.880 -13.525 788 H THR 102 H THR 102 -11.857 23.833 -9.521 789 HA THR 102 HA THR 102 -9.043 24.711 -9.583 790 HB THR 102 HB THR 102 -9.580 26.705 -8.419 791 HG1 THR 102 HG1 THR 102 -12.091 25.458 -8.004 792 HG21 THR 102 1HG2 THR 102 -11.854 26.400 -10.372 793 HG22 THR 102 2HG2 THR 102 -10.175 26.597 -10.877 794 HG23 THR 102 3HG2 THR 102 -10.973 27.866 -9.949 795 H ALA 103 H ALA 103 -7.926 24.751 -7.571 796 HA ALA 103 HA ALA 103 -8.211 22.517 -5.978 797 HB1 ALA 103 1HB ALA 103 -6.450 24.671 -6.123 798 HB2 ALA 103 2HB ALA 103 -7.049 24.679 -4.463 799 HB3 ALA 103 3HB ALA 103 -6.288 23.229 -5.121 800 H ALA 104 H ALA 104 -9.543 25.752 -5.506 801 HA ALA 104 HA ALA 104 -10.536 25.369 -2.899 802 HB1 ALA 104 1HB ALA 104 -10.311 27.584 -3.826 803 HB2 ALA 104 2HB ALA 104 -11.493 27.214 -5.084 804 HB3 ALA 104 3HB ALA 104 -11.997 27.298 -3.395 805 H ALA 105 H ALA 105 -12.008 24.864 -6.082 806 HA ALA 105 HA ALA 105 -14.599 24.247 -5.251 807 HB1 ALA 105 1HB ALA 105 -14.794 23.038 -7.407 808 HB2 ALA 105 2HB ALA 105 -14.111 24.656 -7.570 809 HB3 ALA 105 3HB ALA 105 -13.058 23.243 -7.640 810 H ALA 106 H ALA 106 -11.742 22.189 -5.570 811 HA ALA 106 HA ALA 106 -13.012 19.723 -5.096 812 HB1 ALA 106 1HB ALA 106 -10.478 20.499 -5.747 813 HB2 ALA 106 2HB ALA 106 -10.273 19.926 -4.091 814 HB3 ALA 106 3HB ALA 106 -10.959 18.858 -5.316 815 H GLU 107 H GLU 107 -11.219 21.850 -2.864 816 HA GLU 107 HA GLU 107 -11.690 20.328 -0.551 817 HB2 GLU 107 2HB GLU 107 -9.957 22.040 -0.643 818 HB3 GLU 107 3HB GLU 107 -11.175 23.293 -0.839 819 HG2 GLU 107 2HG GLU 107 -11.919 21.961 1.478 820 HG3 GLU 107 3HG GLU 107 -10.161 22.063 1.566 821 H ASN 108 H ASN 108 -13.581 22.807 -2.154 822 HA ASN 108 HA ASN 108 -15.434 23.229 -0.043 823 HB2 ASN 108 2HB ASN 108 -15.216 23.982 -2.896 824 HB3 ASN 108 3HB ASN 108 -16.850 23.929 -2.242 825 HD21 ASN 108 1HD2 ASN 108 -13.742 24.890 -0.838 826 HD22 ASN 108 2HD2 ASN 108 -14.243 26.480 -0.386 827 H MET 109 H MET 109 -15.495 21.199 -2.955 828 HA MET 109 HA MET 109 -18.088 20.148 -2.500 829 HB2 MET 109 2HB MET 109 -16.935 20.132 -4.701 830 HB3 MET 109 3HB MET 109 -15.820 18.923 -4.079 831 HG2 MET 109 2HG MET 109 -18.375 17.918 -3.567 832 HG3 MET 109 3HG MET 109 -18.443 18.592 -5.194 833 HE1 MET 109 1HE MET 109 -16.340 14.898 -3.697 834 HE2 MET 109 2HE MET 109 -15.470 16.360 -3.236 835 HE3 MET 109 3HE MET 109 -17.160 16.155 -2.771 836 H TYR 110 H TYR 110 -14.833 18.955 -1.756 837 HA TYR 110 HA TYR 110 -15.512 16.448 -0.763 838 HB2 TYR 110 2HB TYR 110 -13.182 17.778 -1.090 839 HB3 TYR 110 3HB TYR 110 -13.347 17.884 0.658 840 HD1 TYR 110 HD1 TYR 110 -13.622 15.345 -2.074 841 HD2 TYR 110 HD2 TYR 110 -12.455 16.179 1.932 842 HE1 TYR 110 HE1 TYR 110 -12.746 13.057 -1.859 843 HE2 TYR 110 HE2 TYR 110 -11.575 13.893 2.158 844 HH TYR 110 HH TYR 110 -11.355 11.902 1.197 845 H SER 111 H SER 111 -15.253 19.548 0.952 846 HA SER 111 HA SER 111 -16.043 18.434 3.470 847 HB2 SER 111 2HB SER 111 -14.614 20.448 3.306 848 HB3 SER 111 3HB SER 111 -15.963 21.332 2.593 849 HG SER 111 HG SER 111 -15.468 21.281 5.068 850 H GLN 112 H GLN 112 -17.662 20.099 0.835 851 HA GLN 112 HA GLN 112 -20.092 20.669 2.095 852 HB2 GLN 112 2HB GLN 112 -19.546 21.624 -0.059 853 HB3 GLN 112 3HB GLN 112 -19.505 20.029 -0.798 854 HG2 GLN 112 2HG GLN 112 -21.836 19.775 -0.634 855 HG3 GLN 112 3HG GLN 112 -21.983 21.134 0.480 856 HE21 GLN 112 1HE2 GLN 112 -21.065 20.299 -2.826 857 HE22 GLN 112 2HE2 GLN 112 -21.576 21.790 -3.534 858 H MET 113 H MET 113 -18.812 17.697 0.819 859 HA MET 113 HA MET 113 -21.368 16.336 0.914 860 HB2 MET 113 2HB MET 113 -18.834 15.875 -0.320 861 HB3 MET 113 3HB MET 113 -19.221 14.486 0.686 862 HG2 MET 113 2HG MET 113 -20.849 13.796 -0.678 863 HG3 MET 113 3HG MET 113 -21.454 15.431 -0.942 864 HE1 MET 113 1HE MET 113 -17.791 13.657 -2.099 865 HE2 MET 113 2HE MET 113 -19.210 12.657 -1.784 866 HE3 MET 113 3HE MET 113 -18.675 12.931 -3.442 867 H GLY 114 H GLY 114 -18.660 16.886 2.978 868 HA2 GLY 114 2HA GLY 114 -18.949 16.543 5.354 869 HA3 GLY 114 3HA GLY 114 -19.887 15.105 4.981 870 H LEU 115 H LEU 115 -16.939 15.784 3.270 871 HA LEU 115 HA LEU 115 -15.751 13.390 4.453 872 HB2 LEU 115 2HB LEU 115 -14.884 15.024 2.073 873 HB3 LEU 115 3HB LEU 115 -14.161 13.505 2.598 874 HG LEU 115 HG LEU 115 -16.983 13.161 2.157 875 HD11 LEU 115 1HD1 LEU 115 -15.438 14.612 0.060 876 HD12 LEU 115 2HD1 LEU 115 -17.123 14.796 0.549 877 HD13 LEU 115 3HD1 LEU 115 -16.632 13.405 -0.418 878 HD21 LEU 115 1HD2 LEU 115 -15.788 11.646 0.304 879 HD22 LEU 115 2HD2 LEU 115 -15.859 11.202 2.010 880 HD23 LEU 115 3HD2 LEU 115 -14.405 11.957 1.355 881 H ASP 116 H ASP 116 -15.382 16.830 4.357 882 HA ASP 116 HA ASP 116 -12.672 16.892 5.277 883 HB2 ASP 116 2HB ASP 116 -13.532 18.785 4.046 884 HB3 ASP 116 3HB ASP 116 -14.827 19.012 5.218 885 H THR 117 H THR 117 -15.847 17.250 6.806 886 HA THR 117 HA THR 117 -14.636 16.549 9.372 887 HB THR 117 HB THR 117 -16.615 18.803 9.319 888 HG1 THR 117 HG1 THR 117 -14.673 20.182 9.441 889 HG21 THR 117 1HG2 THR 117 -14.443 17.935 11.230 890 HG22 THR 117 2HG2 THR 117 -16.184 17.784 11.464 891 HG23 THR 117 3HG2 THR 117 -15.434 19.380 11.431 892 H ARG 118 H ARG 118 -15.889 15.242 10.587 893 HA ARG 118 HA ARG 118 -18.653 14.786 9.668 894 HB2 ARG 118 2HB ARG 118 -16.477 12.908 10.430 895 HB3 ARG 118 3HB ARG 118 -18.113 12.475 10.907 896 HG2 ARG 118 2HG ARG 118 -17.482 13.249 8.085 897 HG3 ARG 118 3HG ARG 118 -17.215 11.605 8.669 898 HD2 ARG 118 2HD ARG 118 -19.838 13.085 8.821 899 HD3 ARG 118 3HD ARG 118 -19.415 11.915 7.572 900 HE ARG 118 HE ARG 118 -20.261 11.350 10.247 901 HH11 ARG 118 1HH1 ARG 118 -18.366 10.179 7.571 902 HH12 ARG 118 2HH1 ARG 118 -18.499 8.515 8.036 903 HH21 ARG 118 1HH2 ARG 118 -20.443 9.163 10.869 904 HH22 ARG 118 2HH2 ARG 118 -19.681 7.939 9.912 905 HA PRO 119 HA PRO 119 -18.723 16.284 14.083 906 HB2 PRO 119 2HB PRO 119 -20.662 18.141 13.683 907 HB3 PRO 119 3HB PRO 119 -18.944 18.481 13.445 908 HG2 PRO 119 2HG PRO 119 -21.043 17.815 11.415 909 HG3 PRO 119 3HG PRO 119 -19.763 19.041 11.341 910 HD2 PRO 119 2HD PRO 119 -19.563 16.649 10.088 911 HD3 PRO 119 3HD PRO 119 -18.152 17.505 10.743 Start of MODEL 5 1 H1 GLY 2 H GLY 2 8.428 1.074 -0.215 2 HA2 GLY 2 2HA GLY 2 8.189 1.398 -2.525 3 HA3 GLY 2 3HA GLY 2 7.356 -0.134 -2.303 4 H ASN 3 H ASN 3 6.902 3.361 -2.491 5 HA ASN 3 HA ASN 3 4.133 2.862 -3.366 6 HB2 ASN 3 2HB ASN 3 3.570 5.108 -2.428 7 HB3 ASN 3 3HB ASN 3 4.048 3.934 -1.205 8 HD21 ASN 3 1HD2 ASN 3 5.478 4.580 0.226 9 HD22 ASN 3 2HD2 ASN 3 6.575 5.903 0.043 10 H GLY 4 H GLY 4 3.312 4.210 -5.018 11 HA2 GLY 4 2HA GLY 4 3.415 5.687 -6.805 12 HA3 GLY 4 3HA GLY 4 5.018 6.172 -6.271 13 H GLN 5 H GLN 5 5.629 6.133 -8.515 14 HA GLN 5 HA GLN 5 6.573 5.209 -10.368 15 HB2 GLN 5 2HB GLN 5 7.104 2.825 -8.591 16 HB3 GLN 5 3HB GLN 5 7.996 3.299 -10.030 17 HG2 GLN 5 2HG GLN 5 8.340 5.516 -8.604 18 HG3 GLN 5 3HG GLN 5 8.116 4.375 -7.279 19 HE21 GLN 5 1HE2 GLN 5 9.460 2.371 -7.431 20 HE22 GLN 5 2HE2 GLN 5 11.088 2.551 -7.978 21 H GLY 6 H GLY 6 4.323 5.095 -11.197 22 HA2 GLY 6 2HA GLY 6 3.849 2.647 -12.492 23 HA3 GLY 6 3HA GLY 6 2.776 2.752 -11.106 24 H ARG 7 H ARG 7 1.610 2.557 -13.502 25 HA ARG 7 HA ARG 7 1.137 4.973 -14.869 26 HB2 ARG 7 2HB ARG 7 -0.113 2.289 -14.774 27 HB3 ARG 7 3HB ARG 7 -1.130 3.597 -15.362 28 HG2 ARG 7 2HG ARG 7 0.047 3.838 -17.273 29 HG3 ARG 7 3HG ARG 7 1.584 3.438 -16.506 30 HD2 ARG 7 2HD ARG 7 1.207 1.623 -17.905 31 HD3 ARG 7 3HD ARG 7 0.624 1.050 -16.343 32 HE ARG 7 HE ARG 7 -1.558 2.156 -17.621 33 HH11 ARG 7 1HH1 ARG 7 0.692 -0.436 -18.199 34 HH12 ARG 7 2HH1 ARG 7 -0.443 -1.398 -19.087 35 HH21 ARG 7 1HH2 ARG 7 -3.061 0.901 -18.788 36 HH22 ARG 7 2HH2 ARG 7 -2.578 -0.636 -19.423 37 H ASP 8 H ASP 8 -0.683 3.339 -12.294 38 HA ASP 8 HA ASP 8 -2.814 5.132 -12.122 39 HB2 ASP 8 2HB ASP 8 -1.623 3.716 -9.741 40 HB3 ASP 8 3HB ASP 8 -3.306 4.156 -10.015 41 H TRP 9 H TRP 9 0.394 5.234 -10.675 42 HA TRP 9 HA TRP 9 -0.066 7.406 -8.934 43 HB2 TRP 9 2HB TRP 9 1.900 5.791 -8.909 44 HB3 TRP 9 3HB TRP 9 2.576 6.740 -10.230 45 HD1 TRP 9 HD1 TRP 9 4.442 8.197 -9.270 46 HE1 TRP 9 HE1 TRP 9 4.743 9.679 -7.188 47 HE3 TRP 9 HE3 TRP 9 -0.010 7.244 -6.943 48 HZ2 TRP 9 HZ2 TRP 9 3.287 10.356 -4.866 49 HZ3 TRP 9 HZ3 TRP 9 -0.477 8.349 -4.795 50 HH2 TRP 9 HH2 TRP 9 1.139 9.871 -3.779 51 H LYS 10 H LYS 10 1.578 7.339 -12.102 52 HA LYS 10 HA LYS 10 1.891 10.095 -12.380 53 HB2 LYS 10 2HB LYS 10 2.301 7.777 -13.979 54 HB3 LYS 10 3HB LYS 10 1.419 8.947 -14.952 55 HG2 LYS 10 2HG LYS 10 3.746 9.950 -13.424 56 HG3 LYS 10 3HG LYS 10 4.073 8.901 -14.806 57 HD2 LYS 10 2HD LYS 10 2.305 11.339 -14.940 58 HD3 LYS 10 3HD LYS 10 4.029 11.360 -15.319 59 HE2 LYS 10 2HE LYS 10 2.575 9.233 -16.684 60 HE3 LYS 10 3HE LYS 10 1.986 10.845 -17.091 61 HZ1 LYS 10 1HZ LYS 10 3.722 10.219 -18.600 62 HZ2 LYS 10 2HZ LYS 10 4.783 9.876 -17.328 63 HZ3 LYS 10 3HZ LYS 10 4.293 11.470 -17.613 64 H MET 11 H MET 11 -0.835 8.009 -13.151 65 HA MET 11 HA MET 11 -2.335 9.907 -14.610 66 HB2 MET 11 2HB MET 11 -2.904 7.313 -13.269 67 HB3 MET 11 3HB MET 11 -4.275 8.343 -13.654 68 HG2 MET 11 2HG MET 11 -3.168 8.446 -16.013 69 HG3 MET 11 3HG MET 11 -2.364 6.971 -15.478 70 HE1 MET 11 1HE MET 11 -5.541 6.456 -17.988 71 HE2 MET 11 2HE MET 11 -4.111 7.484 -17.914 72 HE3 MET 11 3HE MET 11 -3.941 5.730 -17.829 73 H ALA 12 H ALA 12 -2.055 9.194 -11.183 74 HA ALA 12 HA ALA 12 -4.266 10.734 -10.315 75 HB1 ALA 12 1HB ALA 12 -1.814 9.683 -8.949 76 HB2 ALA 12 2HB ALA 12 -2.965 10.715 -8.102 77 HB3 ALA 12 3HB ALA 12 -3.492 9.170 -8.770 78 H ILE 13 H ILE 13 -0.783 11.459 -10.470 79 HA ILE 13 HA ILE 13 -1.101 14.156 -9.593 80 HB ILE 13 HB ILE 13 1.219 12.862 -11.030 81 HG12 ILE 13 2HG1 ILE 13 0.718 13.363 -8.087 82 HG13 ILE 13 3HG1 ILE 13 0.723 11.793 -8.886 83 HG21 ILE 13 1HG2 ILE 13 1.069 15.465 -9.514 84 HG22 ILE 13 2HG2 ILE 13 2.537 14.743 -10.173 85 HG23 ILE 13 3HG2 ILE 13 1.256 15.284 -11.258 86 HD11 ILE 13 1HD1 ILE 13 3.056 13.638 -8.461 87 HD12 ILE 13 2HD1 ILE 13 2.790 12.046 -7.749 88 HD13 ILE 13 3HD1 ILE 13 3.113 12.198 -9.476 89 H LYS 14 H LYS 14 -1.158 12.552 -12.681 90 HA LYS 14 HA LYS 14 -0.703 14.791 -14.336 91 HB2 LYS 14 2HB LYS 14 -0.538 12.546 -15.221 92 HB3 LYS 14 3HB LYS 14 -2.228 12.233 -14.847 93 HG2 LYS 14 2HG LYS 14 -2.953 13.234 -16.712 94 HG3 LYS 14 3HG LYS 14 -1.791 14.556 -16.573 95 HD2 LYS 14 2HD LYS 14 -0.044 13.176 -17.504 96 HD3 LYS 14 3HD LYS 14 -1.113 11.771 -17.519 97 HE2 LYS 14 2HE LYS 14 -2.025 14.202 -18.953 98 HE3 LYS 14 3HE LYS 14 -0.699 13.289 -19.671 99 HZ1 LYS 14 1HZ LYS 14 -2.468 11.358 -19.016 100 HZ2 LYS 14 2HZ LYS 14 -2.317 12.052 -20.550 101 HZ3 LYS 14 3HZ LYS 14 -3.492 12.623 -19.476 102 H ARG 15 H ARG 15 -3.692 13.332 -13.097 103 HA ARG 15 HA ARG 15 -5.424 15.174 -14.397 104 HB2 ARG 15 2HB ARG 15 -5.805 12.798 -13.164 105 HB3 ARG 15 3HB ARG 15 -6.346 13.891 -11.896 106 HG2 ARG 15 2HG ARG 15 -8.309 13.540 -13.002 107 HG3 ARG 15 3HG ARG 15 -7.721 14.969 -13.856 108 HD2 ARG 15 2HD ARG 15 -6.564 13.081 -15.348 109 HD3 ARG 15 3HD ARG 15 -7.953 12.161 -14.771 110 HE ARG 15 HE ARG 15 -9.071 14.458 -15.643 111 HH11 ARG 15 1HH1 ARG 15 -6.856 12.193 -17.087 112 HH12 ARG 15 2HH1 ARG 15 -7.409 12.484 -18.704 113 HH21 ARG 15 1HH2 ARG 15 -9.806 14.851 -17.766 114 HH22 ARG 15 2HH2 ARG 15 -9.086 13.997 -19.089 115 H CYS 16 H CYS 16 -4.201 14.928 -11.069 116 HA CYS 16 HA CYS 16 -5.525 17.229 -10.104 117 HB2 CYS 16 2HB CYS 16 -4.643 15.502 -8.607 118 HB3 CYS 16 3HB CYS 16 -3.001 15.895 -9.103 119 HG CYS 16 HG CYS 16 -3.020 17.062 -6.712 120 H SER 17 H SER 17 -2.628 16.777 -11.936 121 HA SER 17 HA SER 17 -1.240 19.123 -11.321 122 HB2 SER 17 2HB SER 17 0.071 17.748 -12.603 123 HB3 SER 17 3HB SER 17 -1.279 17.224 -13.610 124 HG SER 17 HG SER 17 0.436 19.368 -13.916 125 H ASN 18 H ASN 18 -4.141 18.635 -13.096 126 HA ASN 18 HA ASN 18 -3.984 21.265 -14.360 127 HB2 ASN 18 2HB ASN 18 -6.123 19.135 -14.581 128 HB3 ASN 18 3HB ASN 18 -6.028 20.608 -15.541 129 HD21 ASN 18 1HD2 ASN 18 -6.067 17.889 -16.467 130 HD22 ASN 18 2HD2 ASN 18 -4.597 17.637 -17.340 131 H VAL 19 H VAL 19 -4.294 20.828 -11.426 132 HA VAL 19 HA VAL 19 -6.943 22.030 -11.000 133 HB VAL 19 HB VAL 19 -5.057 20.781 -8.995 134 HG11 VAL 19 1HG1 VAL 19 -7.266 22.576 -8.656 135 HG12 VAL 19 2HG1 VAL 19 -7.655 21.006 -7.951 136 HG13 VAL 19 3HG1 VAL 19 -6.205 21.870 -7.438 137 HG21 VAL 19 1HG2 VAL 19 -6.431 18.896 -8.982 138 HG22 VAL 19 2HG2 VAL 19 -7.753 19.734 -9.793 139 HG23 VAL 19 3HG2 VAL 19 -6.300 19.302 -10.693 140 H ALA 20 H ALA 20 -7.120 24.107 -10.465 141 HA ALA 20 HA ALA 20 -4.815 25.784 -10.345 142 HB1 ALA 20 1HB ALA 20 -6.943 27.316 -9.469 143 HB2 ALA 20 2HB ALA 20 -6.383 27.155 -11.134 144 HB3 ALA 20 3HB ALA 20 -7.687 26.127 -10.538 145 H VAL 21 H VAL 21 -3.527 25.607 -8.604 146 HA VAL 21 HA VAL 21 -4.276 24.895 -6.019 147 HB VAL 21 HB VAL 21 -1.964 26.709 -6.701 148 HG11 VAL 21 1HG1 VAL 21 -1.329 24.812 -4.714 149 HG12 VAL 21 2HG1 VAL 21 -1.498 26.559 -4.536 150 HG13 VAL 21 3HG1 VAL 21 -2.891 25.508 -4.282 151 HG21 VAL 21 1HG2 VAL 21 -1.419 25.017 -8.107 152 HG22 VAL 21 2HG2 VAL 21 -0.833 24.284 -6.614 153 HG23 VAL 21 3HG2 VAL 21 -2.416 23.839 -7.253 154 H GLY 22 H GLY 22 -4.461 27.957 -7.650 155 HA2 GLY 22 2HA GLY 22 -5.068 29.337 -5.129 156 HA3 GLY 22 3HA GLY 22 -4.723 30.113 -6.667 157 H VAL 23 H VAL 23 -6.755 31.234 -5.646 158 HA VAL 23 HA VAL 23 -9.169 29.864 -6.633 159 HB VAL 23 HB VAL 23 -9.239 30.417 -4.238 160 HG11 VAL 23 1HG1 VAL 23 -8.734 32.429 -3.366 161 HG12 VAL 23 2HG1 VAL 23 -7.866 32.661 -4.885 162 HG13 VAL 23 3HG1 VAL 23 -9.495 33.310 -4.691 163 HG21 VAL 23 1HG2 VAL 23 -11.148 32.295 -5.567 164 HG22 VAL 23 2HG2 VAL 23 -11.248 30.563 -5.883 165 HG23 VAL 23 3HG2 VAL 23 -11.427 31.170 -4.237 166 H GLY 24 H GLY 24 -7.268 32.802 -6.773 167 HA2 GLY 24 2HA GLY 24 -8.377 33.501 -9.312 168 HA3 GLY 24 3HA GLY 24 -8.967 34.558 -8.038 169 H GLY 25 H GLY 25 -7.210 35.074 -10.389 170 HA2 GLY 25 2HA GLY 25 -5.616 36.785 -10.611 171 HA3 GLY 25 3HA GLY 25 -5.181 36.570 -8.922 172 H LYS 26 H LYS 26 -4.225 34.274 -8.495 173 HA LYS 26 HA LYS 26 -1.854 34.097 -10.082 174 HB2 LYS 26 2HB LYS 26 -2.911 32.773 -7.642 175 HB3 LYS 26 3HB LYS 26 -1.683 31.904 -8.551 176 HG2 LYS 26 2HG LYS 26 -0.291 33.056 -7.212 177 HG3 LYS 26 3HG LYS 26 -0.518 34.316 -8.428 178 HD2 LYS 26 2HD LYS 26 -1.951 35.535 -7.084 179 HD3 LYS 26 3HD LYS 26 -2.405 34.130 -6.117 180 HE2 LYS 26 2HE LYS 26 0.067 34.149 -5.362 181 HE3 LYS 26 3HE LYS 26 0.079 35.800 -5.980 182 HZ1 LYS 26 1HZ LYS 26 -1.815 36.279 -4.506 183 HZ2 LYS 26 2HZ LYS 26 -0.427 35.824 -3.652 184 HZ3 LYS 26 3HZ LYS 26 -1.693 34.721 -3.857 185 H SER 27 H SER 27 -1.159 32.404 -11.396 186 HA SER 27 HA SER 27 -3.283 30.569 -12.299 187 HB2 SER 27 2HB SER 27 -2.042 30.660 -14.543 188 HB3 SER 27 3HB SER 27 -2.975 32.086 -14.088 189 HG SER 27 HG SER 27 -1.028 33.042 -13.379 190 H LYS 28 H LYS 28 -1.848 29.632 -10.293 191 HA LYS 28 HA LYS 28 0.270 27.970 -11.486 192 HB2 LYS 28 2HB LYS 28 -0.088 29.211 -8.827 193 HB3 LYS 28 3HB LYS 28 0.561 27.577 -8.821 194 HG2 LYS 28 2HG LYS 28 1.756 29.625 -10.628 195 HG3 LYS 28 3HG LYS 28 2.160 29.626 -8.910 196 HD2 LYS 28 2HD LYS 28 2.416 26.979 -9.586 197 HD3 LYS 28 3HD LYS 28 2.992 27.802 -11.037 198 HE2 LYS 28 2HE LYS 28 4.359 29.239 -9.361 199 HE3 LYS 28 3HE LYS 28 4.060 27.910 -8.242 200 HZ1 LYS 28 1HZ LYS 28 5.869 28.051 -10.456 201 HZ2 LYS 28 2HZ LYS 28 4.890 26.673 -10.519 202 HZ3 LYS 28 3HZ LYS 28 5.842 26.972 -9.154 203 H LYS 29 H LYS 29 0.060 25.809 -11.540 204 HA LYS 29 HA LYS 29 -2.358 24.658 -10.314 205 HB2 LYS 29 2HB LYS 29 -2.388 23.022 -12.065 206 HB3 LYS 29 3HB LYS 29 -2.215 24.604 -12.814 207 HG2 LYS 29 2HG LYS 29 0.322 24.078 -12.753 208 HG3 LYS 29 3HG LYS 29 -0.210 22.407 -12.556 209 HD2 LYS 29 2HD LYS 29 -1.557 22.620 -14.609 210 HD3 LYS 29 3HD LYS 29 -0.955 24.267 -14.813 211 HE2 LYS 29 2HE LYS 29 0.936 23.542 -15.736 212 HE3 LYS 29 3HE LYS 29 1.213 22.398 -14.422 213 HZ1 LYS 29 1HZ LYS 29 -0.800 21.259 -15.842 214 HZ2 LYS 29 2HZ LYS 29 0.836 20.842 -15.951 215 HZ3 LYS 29 3HZ LYS 29 0.168 21.937 -17.053 216 H PHE 30 H PHE 30 -2.182 22.368 -9.649 217 HA PHE 30 HA PHE 30 -0.125 21.982 -7.806 218 HB2 PHE 30 2HB PHE 30 -2.388 20.427 -8.830 219 HB3 PHE 30 3HB PHE 30 -1.035 19.431 -8.304 220 HD1 PHE 30 HD1 PHE 30 0.038 20.523 -5.992 221 HD2 PHE 30 HD2 PHE 30 -4.026 20.626 -7.252 222 HE1 PHE 30 HE1 PHE 30 -0.678 20.786 -3.652 223 HE2 PHE 30 HE2 PHE 30 -4.748 20.889 -4.915 224 HZ PHE 30 HZ PHE 30 -3.073 20.971 -3.112 225 H GLY 31 H GLY 31 1.074 19.675 -7.890 226 HA2 GLY 31 2HA GLY 31 2.102 18.866 -10.415 227 HA3 GLY 31 3HA GLY 31 3.224 19.957 -9.614 228 H GLU 32 H GLU 32 4.570 17.940 -9.825 229 HA GLU 32 HA GLU 32 3.964 15.754 -8.063 230 HB2 GLU 32 2HB GLU 32 6.644 16.345 -9.309 231 HB3 GLU 32 3HB GLU 32 6.005 14.787 -8.801 232 HG2 GLU 32 2HG GLU 32 4.185 15.751 -10.682 233 HG3 GLU 32 3HG GLU 32 5.781 16.120 -11.335 234 H GLY 33 H GLY 33 6.638 18.123 -8.127 235 HA2 GLY 33 2HA GLY 33 7.693 17.534 -5.623 236 HA3 GLY 33 3HA GLY 33 7.835 19.091 -6.424 237 H ASN 34 H ASN 34 5.169 19.879 -6.471 238 HA ASN 34 HA ASN 34 4.873 21.005 -3.920 239 HB2 ASN 34 2HB ASN 34 3.660 21.299 -6.438 240 HB3 ASN 34 3HB ASN 34 2.352 20.893 -5.330 241 HD21 ASN 34 1HD2 ASN 34 5.332 22.777 -4.947 242 HD22 ASN 34 2HD2 ASN 34 4.551 24.220 -4.403 243 H PHE 35 H PHE 35 3.069 18.368 -5.487 244 HA PHE 35 HA PHE 35 1.271 17.796 -3.473 245 HB2 PHE 35 2HB PHE 35 1.014 16.687 -5.560 246 HB3 PHE 35 3HB PHE 35 2.629 15.993 -5.472 247 HD1 PHE 35 HD1 PHE 35 -0.602 15.982 -3.617 248 HD2 PHE 35 HD2 PHE 35 2.859 13.807 -4.801 249 HE1 PHE 35 HE1 PHE 35 -1.538 13.946 -2.599 250 HE2 PHE 35 HE2 PHE 35 1.929 11.767 -3.786 251 HZ PHE 35 HZ PHE 35 -0.272 11.835 -2.683 252 H ARG 36 H ARG 36 4.626 16.756 -3.808 253 HA ARG 36 HA ARG 36 4.665 14.925 -1.673 254 HB2 ARG 36 2HB ARG 36 7.011 16.605 -2.544 255 HB3 ARG 36 3HB ARG 36 7.037 14.997 -1.834 256 HG2 ARG 36 2HG ARG 36 5.505 14.741 -4.147 257 HG3 ARG 36 3HG ARG 36 6.858 15.782 -4.596 258 HD2 ARG 36 2HD ARG 36 7.415 13.338 -2.992 259 HD3 ARG 36 3HD ARG 36 7.038 13.149 -4.705 260 HE ARG 36 HE ARG 36 9.459 14.170 -3.580 261 HH11 ARG 36 1HH1 ARG 36 7.342 14.334 -6.340 262 HH12 ARG 36 2HH1 ARG 36 8.591 14.833 -7.432 263 HH21 ARG 36 1HH2 ARG 36 11.111 14.827 -5.008 264 HH22 ARG 36 2HH2 ARG 36 10.735 15.114 -6.673 265 H TRP 37 H TRP 37 5.737 18.324 -1.781 266 HA TRP 37 HA TRP 37 6.454 18.620 0.871 267 HB2 TRP 37 2HB TRP 37 6.981 20.389 -0.611 268 HB3 TRP 37 3HB TRP 37 5.302 20.577 -1.109 269 HD1 TRP 37 HD1 TRP 37 7.790 21.767 1.450 270 HE1 TRP 37 HE1 TRP 37 6.678 23.502 2.992 271 HE3 TRP 37 HE3 TRP 37 2.929 21.147 -0.006 272 HZ2 TRP 37 HZ2 TRP 37 4.083 24.478 3.521 273 HZ3 TRP 37 HZ3 TRP 37 1.193 22.520 1.068 274 HH2 TRP 37 HH2 TRP 37 1.760 24.150 2.795 275 H ALA 38 H ALA 38 3.271 18.582 -0.571 276 HA ALA 38 HA ALA 38 1.944 19.514 1.815 277 HB1 ALA 38 1HB ALA 38 1.242 19.116 -0.924 278 HB2 ALA 38 2HB ALA 38 0.084 18.267 0.101 279 HB3 ALA 38 3HB ALA 38 0.366 19.993 0.332 280 H ILE 39 H ILE 39 1.648 16.470 -0.030 281 HA ILE 39 HA ILE 39 0.311 14.984 1.856 282 HB ILE 39 HB ILE 39 0.801 14.243 -0.470 283 HG12 ILE 39 2HG1 ILE 39 1.673 12.193 1.569 284 HG13 ILE 39 3HG1 ILE 39 0.002 12.716 1.385 285 HG21 ILE 39 1HG2 ILE 39 3.451 13.279 0.560 286 HG22 ILE 39 2HG2 ILE 39 2.872 13.344 -1.104 287 HG23 ILE 39 3HG2 ILE 39 3.273 14.835 -0.251 288 HD11 ILE 39 1HD1 ILE 39 0.779 10.564 0.213 289 HD12 ILE 39 2HD1 ILE 39 -0.212 11.712 -0.688 290 HD13 ILE 39 3HD1 ILE 39 1.531 11.654 -0.952 291 H ARG 40 H ARG 40 3.735 15.726 1.686 292 HA ARG 40 HA ARG 40 4.509 13.873 3.726 293 HB2 ARG 40 2HB ARG 40 6.011 14.815 1.912 294 HB3 ARG 40 3HB ARG 40 6.035 16.316 2.828 295 HG2 ARG 40 2HG ARG 40 6.802 14.775 4.789 296 HG3 ARG 40 3HG ARG 40 7.251 13.675 3.483 297 HD2 ARG 40 2HD ARG 40 8.252 16.068 2.606 298 HD3 ARG 40 3HD ARG 40 8.492 16.177 4.350 299 HE ARG 40 HE ARG 40 9.369 13.684 3.228 300 HH11 ARG 40 1HH1 ARG 40 10.250 16.988 3.887 301 HH12 ARG 40 2HH1 ARG 40 11.952 16.667 3.906 302 HH21 ARG 40 1HH2 ARG 40 11.608 13.249 3.251 303 HH22 ARG 40 2HH2 ARG 40 12.724 14.541 3.545 304 H MET 41 H MET 41 4.293 17.435 3.650 305 HA MET 41 HA MET 41 4.807 17.899 6.337 306 HB2 MET 41 2HB MET 41 4.726 19.673 4.640 307 HB3 MET 41 3HB MET 41 2.985 19.466 4.501 308 HG2 MET 41 2HG MET 41 2.633 20.848 6.187 309 HG3 MET 41 3HG MET 41 3.685 19.903 7.239 310 HE1 MET 41 1HE MET 41 6.738 21.280 7.614 311 HE2 MET 41 2HE MET 41 6.077 19.814 6.888 312 HE3 MET 41 3HE MET 41 7.041 20.925 5.913 313 H ALA 42 H ALA 42 1.795 17.043 4.730 314 HA ALA 42 HA ALA 42 0.111 17.463 6.981 315 HB1 ALA 42 1HB ALA 42 -1.591 16.350 5.718 316 HB2 ALA 42 2HB ALA 42 -0.669 17.375 4.618 317 HB3 ALA 42 3HB ALA 42 -0.393 15.633 4.640 318 H ASN 43 H ASN 43 1.720 14.600 5.639 319 HA ASN 43 HA ASN 43 0.634 12.689 7.361 320 HB2 ASN 43 2HB ASN 43 3.255 12.828 5.880 321 HB3 ASN 43 3HB ASN 43 2.820 11.436 6.869 322 HD21 ASN 43 1HD2 ASN 43 3.303 11.393 4.087 323 HD22 ASN 43 2HD2 ASN 43 1.836 10.921 3.304 324 H VAL 44 H VAL 44 3.685 14.503 7.652 325 HA VAL 44 HA VAL 44 4.454 13.444 10.137 326 HB VAL 44 HB VAL 44 5.109 16.172 9.015 327 HG11 VAL 44 1HG1 VAL 44 5.750 16.237 11.256 328 HG12 VAL 44 2HG1 VAL 44 6.248 14.544 11.261 329 HG13 VAL 44 3HG1 VAL 44 7.222 15.749 10.417 330 HG21 VAL 44 1HG2 VAL 44 5.934 14.815 7.372 331 HG22 VAL 44 2HG2 VAL 44 7.299 14.787 8.488 332 HG23 VAL 44 3HG2 VAL 44 6.155 13.445 8.460 333 H SER 45 H SER 45 2.416 16.186 9.285 334 HA SER 45 HA SER 45 2.224 17.314 11.864 335 HB2 SER 45 2HB SER 45 0.558 18.702 10.982 336 HB3 SER 45 3HB SER 45 1.518 18.293 9.560 337 HG SER 45 HG SER 45 -0.978 17.224 10.358 338 H THR 46 H THR 46 0.749 14.557 10.412 339 HA THR 46 HA THR 46 -1.272 14.379 12.523 340 HB THR 46 HB THR 46 -1.912 12.258 11.150 341 HG1 THR 46 HG1 THR 46 -1.329 12.766 8.845 342 HG21 THR 46 1HG2 THR 46 -3.305 14.248 11.273 343 HG22 THR 46 2HG2 THR 46 -3.270 13.637 9.618 344 HG23 THR 46 3HG2 THR 46 -2.308 15.047 10.059 345 H GLY 47 H GLY 47 1.681 13.927 12.877 346 HA2 GLY 47 2HA GLY 47 3.079 12.462 13.962 347 HA3 GLY 47 3HA GLY 47 1.617 11.910 14.766 348 H ARG 48 H ARG 48 1.997 11.633 11.314 349 HA ARG 48 HA ARG 48 2.160 8.711 11.632 350 HB2 ARG 48 2HB ARG 48 0.315 10.258 10.235 351 HB3 ARG 48 3HB ARG 48 1.385 9.633 8.987 352 HG2 ARG 48 2HG ARG 48 0.938 7.377 9.637 353 HG3 ARG 48 3HG ARG 48 0.033 7.916 11.053 354 HD2 ARG 48 2HD ARG 48 -1.316 9.210 9.120 355 HD3 ARG 48 3HD ARG 48 -0.766 7.801 8.213 356 HE ARG 48 HE ARG 48 -1.926 7.074 10.714 357 HH11 ARG 48 1HH1 ARG 48 -2.676 8.025 7.450 358 HH12 ARG 48 2HH1 ARG 48 -4.217 7.233 7.434 359 HH21 ARG 48 1HH2 ARG 48 -3.952 6.026 10.706 360 HH22 ARG 48 2HH2 ARG 48 -4.942 6.096 9.288 361 H GLU 49 H GLU 49 3.390 7.518 10.040 362 HA GLU 49 HA GLU 49 5.989 8.378 9.720 363 HB2 GLU 49 2HB GLU 49 6.087 6.601 7.874 364 HB3 GLU 49 3HB GLU 49 5.624 6.074 9.485 365 HG2 GLU 49 2HG GLU 49 3.329 5.947 8.870 366 HG3 GLU 49 3HG GLU 49 3.643 6.728 7.322 367 HA PRO 50 HA PRO 50 6.131 11.139 6.312 368 HB2 PRO 50 2HB PRO 50 8.492 10.463 5.154 369 HB3 PRO 50 3HB PRO 50 8.389 11.322 6.696 370 HG2 PRO 50 2HG PRO 50 8.846 8.409 6.175 371 HG3 PRO 50 3HG PRO 50 9.649 9.476 7.341 372 HD2 PRO 50 2HD PRO 50 7.676 7.765 8.052 373 HD3 PRO 50 3HD PRO 50 7.921 9.327 8.859 374 H GLY 51 H GLY 51 6.694 7.725 5.593 375 HA2 GLY 51 2HA GLY 51 6.073 8.104 2.777 376 HA3 GLY 51 3HA GLY 51 6.511 6.591 3.556 377 H ASP 52 H ASP 52 3.908 8.937 4.178 378 HA ASP 52 HA ASP 52 2.009 6.719 4.269 379 HB2 ASP 52 2HB ASP 52 2.231 9.298 5.563 380 HB3 ASP 52 3HB ASP 52 0.650 9.112 4.810 381 H ILE 53 H ILE 53 1.831 6.262 2.053 382 HA ILE 53 HA ILE 53 0.281 8.261 0.547 383 HB ILE 53 HB ILE 53 2.393 6.435 -0.604 384 HG12 ILE 53 2HG1 ILE 53 3.264 8.847 -1.268 385 HG13 ILE 53 3HG1 ILE 53 2.346 9.323 0.156 386 HG21 ILE 53 1HG2 ILE 53 0.384 8.270 -1.849 387 HG22 ILE 53 2HG2 ILE 53 1.912 7.925 -2.657 388 HG23 ILE 53 3HG2 ILE 53 0.798 6.611 -2.281 389 HD11 ILE 53 1HD1 ILE 53 4.935 8.518 0.162 390 HD12 ILE 53 2HD1 ILE 53 3.856 8.460 1.556 391 HD13 ILE 53 3HD1 ILE 53 4.098 7.020 0.569 392 HA PRO 54 HA PRO 54 -2.076 4.287 0.839 393 HB2 PRO 54 2HB PRO 54 -4.466 5.484 1.313 394 HB3 PRO 54 3HB PRO 54 -3.315 5.096 2.597 395 HG2 PRO 54 2HG PRO 54 -3.807 7.707 1.220 396 HG3 PRO 54 3HG PRO 54 -3.555 7.383 2.945 397 HD2 PRO 54 2HD PRO 54 -1.591 8.327 1.337 398 HD3 PRO 54 3HD PRO 54 -1.265 7.254 2.713 399 H GLU 55 H GLU 55 -4.059 3.664 -0.417 400 HA GLU 55 HA GLU 55 -4.462 5.296 -2.820 401 HB2 GLU 55 2HB GLU 55 -4.240 3.356 -4.272 402 HB3 GLU 55 3HB GLU 55 -2.756 3.607 -3.363 403 HG2 GLU 55 2HG GLU 55 -3.681 1.877 -1.727 404 HG3 GLU 55 3HG GLU 55 -4.835 1.484 -3.000 405 H THR 56 H THR 56 -6.212 5.171 -0.705 406 HA THR 56 HA THR 56 -8.510 3.892 -1.969 407 HB THR 56 HB THR 56 -9.285 2.788 -0.004 408 HG1 THR 56 HG1 THR 56 -8.499 3.183 1.965 409 HG21 THR 56 1HG2 THR 56 -6.331 2.236 -0.318 410 HG22 THR 56 2HG2 THR 56 -7.627 1.531 -1.285 411 HG23 THR 56 3HG2 THR 56 -7.504 1.157 0.435 412 H LEU 57 H LEU 57 -10.245 5.178 -1.942 413 HA LEU 57 HA LEU 57 -10.192 7.808 -1.116 414 HB2 LEU 57 2HB LEU 57 -11.827 6.686 -2.681 415 HB3 LEU 57 3HB LEU 57 -12.696 6.144 -1.246 416 HG LEU 57 HG LEU 57 -12.812 8.662 -0.656 417 HD11 LEU 57 1HD1 LEU 57 -11.372 9.665 -2.190 418 HD12 LEU 57 2HD1 LEU 57 -12.979 9.999 -2.835 419 HD13 LEU 57 3HD1 LEU 57 -11.996 8.716 -3.540 420 HD21 LEU 57 1HD2 LEU 57 -14.389 7.482 -2.941 421 HD22 LEU 57 2HD2 LEU 57 -14.856 8.902 -2.006 422 HD23 LEU 57 3HD2 LEU 57 -14.752 7.325 -1.222 423 H ASP 58 H ASP 58 -11.007 4.950 0.704 424 HA ASP 58 HA ASP 58 -12.272 6.264 2.883 425 HB2 ASP 58 2HB ASP 58 -11.562 3.570 2.161 426 HB3 ASP 58 3HB ASP 58 -11.096 3.882 3.831 427 H GLN 59 H GLN 59 -8.955 5.173 2.287 428 HA GLN 59 HA GLN 59 -7.904 5.816 4.809 429 HB2 GLN 59 2HB GLN 59 -6.738 5.413 2.086 430 HB3 GLN 59 3HB GLN 59 -5.720 6.079 3.356 431 HG2 GLN 59 2HG GLN 59 -6.144 4.127 4.742 432 HG3 GLN 59 3HG GLN 59 -7.202 3.462 3.497 433 HE21 GLN 59 1HE2 GLN 59 -6.059 3.449 1.257 434 HE22 GLN 59 2HE2 GLN 59 -4.474 2.762 1.258 435 H LEU 60 H LEU 60 -8.316 7.738 1.881 436 HA LEU 60 HA LEU 60 -6.864 10.000 2.761 437 HB2 LEU 60 2HB LEU 60 -8.867 9.456 0.626 438 HB3 LEU 60 3HB LEU 60 -8.500 11.132 1.030 439 HG LEU 60 HG LEU 60 -7.232 10.221 -0.917 440 HD11 LEU 60 1HD1 LEU 60 -6.466 12.007 0.911 441 HD12 LEU 60 2HD1 LEU 60 -5.456 11.547 -0.460 442 HD13 LEU 60 3HD1 LEU 60 -5.177 10.821 1.123 443 HD21 LEU 60 1HD2 LEU 60 -6.911 7.946 -0.091 444 HD22 LEU 60 2HD2 LEU 60 -5.879 8.554 1.203 445 HD23 LEU 60 3HD2 LEU 60 -5.367 8.706 -0.477 446 H ARG 61 H ARG 61 -10.343 9.262 2.776 447 HA ARG 61 HA ARG 61 -11.268 11.633 3.882 448 HB2 ARG 61 2HB ARG 61 -12.655 9.741 2.957 449 HB3 ARG 61 3HB ARG 61 -12.394 8.895 4.476 450 HG2 ARG 61 2HG ARG 61 -13.336 11.130 5.498 451 HG3 ARG 61 3HG ARG 61 -14.056 11.287 3.895 452 HD2 ARG 61 2HD ARG 61 -14.309 8.776 5.523 453 HD3 ARG 61 3HD ARG 61 -15.438 10.119 5.695 454 HE ARG 61 HE ARG 61 -15.236 9.453 2.980 455 HH11 ARG 61 1HH1 ARG 61 -16.453 8.140 5.966 456 HH12 ARG 61 2HH1 ARG 61 -17.699 7.211 5.201 457 HH21 ARG 61 1HH2 ARG 61 -16.873 8.234 1.961 458 HH22 ARG 61 2HH2 ARG 61 -17.937 7.265 2.922 459 H LEU 62 H LEU 62 -9.941 8.773 5.464 460 HA LEU 62 HA LEU 62 -10.535 9.521 8.116 461 HB2 LEU 62 2HB LEU 62 -9.562 7.299 6.977 462 HB3 LEU 62 3HB LEU 62 -8.061 7.986 7.594 463 HG LEU 62 HG LEU 62 -8.963 6.372 9.159 464 HD11 LEU 62 1HD1 LEU 62 -8.968 7.729 11.151 465 HD12 LEU 62 2HD1 LEU 62 -9.331 9.173 10.207 466 HD13 LEU 62 3HD1 LEU 62 -7.778 8.361 10.012 467 HD21 LEU 62 1HD2 LEU 62 -11.434 7.366 8.366 468 HD22 LEU 62 2HD2 LEU 62 -11.267 7.875 10.047 469 HD23 LEU 62 3HD2 LEU 62 -11.128 6.167 9.624 470 H VAL 63 H VAL 63 -7.455 9.743 6.326 471 HA VAL 63 HA VAL 63 -6.038 11.164 8.267 472 HB VAL 63 HB VAL 63 -5.644 11.428 5.287 473 HG11 VAL 63 1HG1 VAL 63 -4.131 12.231 7.671 474 HG12 VAL 63 2HG1 VAL 63 -3.182 11.419 6.425 475 HG13 VAL 63 3HG1 VAL 63 -4.095 12.876 6.030 476 HG21 VAL 63 1HG2 VAL 63 -5.445 9.103 6.955 477 HG22 VAL 63 2HG2 VAL 63 -5.179 9.255 5.218 478 HG23 VAL 63 3HG2 VAL 63 -3.851 9.543 6.343 479 H ILE 64 H ILE 64 -7.799 12.390 5.426 480 HA ILE 64 HA ILE 64 -7.315 15.094 5.748 481 HB ILE 64 HB ILE 64 -9.833 13.770 4.733 482 HG12 ILE 64 2HG1 ILE 64 -7.763 15.047 2.996 483 HG13 ILE 64 3HG1 ILE 64 -7.440 13.446 3.654 484 HG21 ILE 64 1HG2 ILE 64 -10.240 15.917 3.578 485 HG22 ILE 64 2HG2 ILE 64 -10.308 16.059 5.332 486 HG23 ILE 64 3HG2 ILE 64 -8.883 16.618 4.458 487 HD11 ILE 64 1HD1 ILE 64 -9.642 14.287 1.803 488 HD12 ILE 64 2HD1 ILE 64 -8.372 13.092 1.535 489 HD13 ILE 64 3HD1 ILE 64 -9.672 12.757 2.680 490 H CYS 65 H CYS 65 -9.694 13.050 7.350 491 HA CYS 65 HA CYS 65 -11.152 15.125 8.597 492 HB2 CYS 65 2HB CYS 65 -11.770 12.631 8.312 493 HB3 CYS 65 3HB CYS 65 -10.826 12.376 9.774 494 HG CYS 65 HG CYS 65 -13.242 12.437 10.868 495 H ASP 66 H ASP 66 -8.391 13.176 9.647 496 HA ASP 66 HA ASP 66 -8.239 14.185 12.272 497 HB2 ASP 66 2HB ASP 66 -5.843 13.276 10.693 498 HB3 ASP 66 3HB ASP 66 -6.146 13.112 12.421 499 H LEU 67 H LEU 67 -6.246 15.009 9.429 500 HA LEU 67 HA LEU 67 -4.894 17.155 10.603 501 HB2 LEU 67 2HB LEU 67 -4.555 17.911 8.216 502 HB3 LEU 67 3HB LEU 67 -4.009 16.283 8.613 503 HG LEU 67 HG LEU 67 -6.555 15.851 7.675 504 HD11 LEU 67 1HD1 LEU 67 -7.202 17.385 6.204 505 HD12 LEU 67 2HD1 LEU 67 -5.608 17.442 5.455 506 HD13 LEU 67 3HD1 LEU 67 -5.953 18.437 6.869 507 HD21 LEU 67 1HD2 LEU 67 -3.864 15.756 6.339 508 HD22 LEU 67 2HD2 LEU 67 -5.329 15.148 5.569 509 HD23 LEU 67 3HD2 LEU 67 -4.767 14.436 7.082 510 H GLN 68 H GLN 68 -8.057 16.956 9.146 511 HA GLN 68 HA GLN 68 -8.525 19.683 8.688 512 HB2 GLN 68 2HB GLN 68 -10.015 18.073 7.739 513 HB3 GLN 68 3HB GLN 68 -10.403 17.408 9.321 514 HG2 GLN 68 2HG GLN 68 -12.195 18.812 8.370 515 HG3 GLN 68 3HG GLN 68 -11.603 19.386 9.928 516 HE21 GLN 68 1HE2 GLN 68 -11.600 21.509 9.975 517 HE22 GLN 68 2HE2 GLN 68 -11.113 22.559 8.694 518 H GLU 69 H GLU 69 -9.481 17.676 11.478 519 HA GLU 69 HA GLU 69 -10.567 19.718 13.028 520 HB2 GLU 69 2HB GLU 69 -10.287 17.035 13.331 521 HB3 GLU 69 3HB GLU 69 -9.108 17.615 14.499 522 HG2 GLU 69 2HG GLU 69 -11.810 18.838 14.529 523 HG3 GLU 69 3HG GLU 69 -11.633 17.195 15.142 524 H ARG 70 H ARG 70 -7.239 18.509 12.879 525 HA ARG 70 HA ARG 70 -6.228 20.191 14.922 526 HB2 ARG 70 2HB ARG 70 -4.754 18.909 12.614 527 HB3 ARG 70 3HB ARG 70 -4.017 19.571 14.067 528 HG2 ARG 70 2HG ARG 70 -5.177 17.889 15.416 529 HG3 ARG 70 3HG ARG 70 -5.892 17.218 13.949 530 HD2 ARG 70 2HD ARG 70 -3.857 16.407 13.178 531 HD3 ARG 70 3HD ARG 70 -2.924 17.502 14.197 532 HE ARG 70 HE ARG 70 -2.971 15.916 15.832 533 HH11 ARG 70 1HH1 ARG 70 -5.589 15.302 13.621 534 HH12 ARG 70 2HH1 ARG 70 -6.065 13.825 14.390 535 HH21 ARG 70 1HH2 ARG 70 -3.588 13.972 16.853 536 HH22 ARG 70 2HH2 ARG 70 -4.927 13.070 16.229 537 H ARG 71 H ARG 71 -6.791 20.625 11.511 538 HA ARG 71 HA ARG 71 -5.126 22.857 11.080 539 HB2 ARG 71 2HB ARG 71 -7.044 21.361 9.599 540 HB3 ARG 71 3HB ARG 71 -7.462 23.063 9.457 541 HG2 ARG 71 2HG ARG 71 -6.036 22.881 7.702 542 HG3 ARG 71 3HG ARG 71 -4.876 23.289 8.968 543 HD2 ARG 71 2HD ARG 71 -5.564 20.456 8.223 544 HD3 ARG 71 3HD ARG 71 -4.252 21.356 7.461 545 HE ARG 71 HE ARG 71 -4.141 21.281 10.343 546 HH11 ARG 71 1HH1 ARG 71 -3.213 19.722 7.371 547 HH12 ARG 71 2HH1 ARG 71 -1.863 18.895 8.074 548 HH21 ARG 71 1HH2 ARG 71 -2.365 20.197 11.279 549 HH22 ARG 71 2HH2 ARG 71 -1.382 19.166 10.297 550 H GLU 72 H GLU 72 -8.564 22.625 11.953 551 HA GLU 72 HA GLU 72 -9.035 25.407 12.039 552 HB2 GLU 72 2HB GLU 72 -10.681 23.344 12.054 553 HB3 GLU 72 3HB GLU 72 -10.557 23.531 13.797 554 HG2 GLU 72 2HG GLU 72 -12.467 24.736 13.106 555 HG3 GLU 72 3HG GLU 72 -11.226 25.924 13.501 556 H LYS 73 H LYS 73 -8.367 23.063 14.633 557 HA LYS 73 HA LYS 73 -8.369 24.911 16.747 558 HB2 LYS 73 2HB LYS 73 -7.901 22.140 16.416 559 HB3 LYS 73 3HB LYS 73 -6.504 22.792 17.262 560 HG2 LYS 73 2HG LYS 73 -8.809 23.912 18.453 561 HG3 LYS 73 3HG LYS 73 -9.085 22.178 18.282 562 HD2 LYS 73 2HD LYS 73 -7.988 22.151 20.273 563 HD3 LYS 73 3HD LYS 73 -6.584 22.102 19.204 564 HE2 LYS 73 2HE LYS 73 -6.145 24.390 19.503 565 HE3 LYS 73 3HE LYS 73 -7.744 24.696 20.179 566 HZ1 LYS 73 1HZ LYS 73 -7.148 23.881 22.208 567 HZ2 LYS 73 2HZ LYS 73 -5.652 24.497 21.711 568 HZ3 LYS 73 3HZ LYS 73 -5.968 22.839 21.589 569 H PHE 74 H PHE 74 -6.019 24.203 14.323 570 HA PHE 74 HA PHE 74 -3.850 25.466 15.785 571 HB2 PHE 74 2HB PHE 74 -3.421 23.488 14.349 572 HB3 PHE 74 3HB PHE 74 -3.910 24.429 12.944 573 HD1 PHE 74 HD1 PHE 74 -2.479 26.137 12.028 574 HD2 PHE 74 HD2 PHE 74 -1.316 23.921 15.471 575 HE1 PHE 74 HE1 PHE 74 -0.170 26.947 11.766 576 HE2 PHE 74 HE2 PHE 74 0.994 24.729 15.215 577 HZ PHE 74 HZ PHE 74 1.568 26.245 13.362 578 H GLY 75 H GLY 75 -6.269 26.291 13.478 579 HA2 GLY 75 2HA GLY 75 -6.815 28.621 13.163 580 HA3 GLY 75 3HA GLY 75 -5.101 28.991 13.285 581 H SER 76 H SER 76 -5.651 30.212 11.281 582 HA SER 76 HA SER 76 -5.708 28.470 8.913 583 HB2 SER 76 2HB SER 76 -6.072 31.048 7.990 584 HB3 SER 76 3HB SER 76 -7.356 29.880 8.301 585 HG SER 76 HG SER 76 -8.018 31.248 9.740 586 H SER 77 H SER 77 -4.073 28.483 7.466 587 HA SER 77 HA SER 77 -2.089 30.580 7.445 588 HB2 SER 77 2HB SER 77 -0.735 29.571 8.942 589 HB3 SER 77 3HB SER 77 -1.637 28.057 8.863 590 HG SER 77 HG SER 77 0.661 28.187 8.021 591 H LYS 78 H LYS 78 -1.151 30.776 5.486 592 HA LYS 78 HA LYS 78 -2.196 29.541 3.244 593 HB2 LYS 78 2HB LYS 78 -0.102 31.415 3.819 594 HB3 LYS 78 3HB LYS 78 0.466 30.269 2.612 595 HG2 LYS 78 2HG LYS 78 -1.707 30.760 1.372 596 HG3 LYS 78 3HG LYS 78 -1.871 32.141 2.459 597 HD2 LYS 78 2HD LYS 78 -0.447 33.322 1.227 598 HD3 LYS 78 3HD LYS 78 0.788 32.074 1.403 599 HE2 LYS 78 2HE LYS 78 -0.701 30.873 -0.432 600 HE3 LYS 78 3HE LYS 78 -1.160 32.536 -0.794 601 HZ1 LYS 78 1HZ LYS 78 0.777 31.679 -2.077 602 HZ2 LYS 78 2HZ LYS 78 1.656 31.621 -0.633 603 HZ3 LYS 78 3HZ LYS 78 1.088 33.103 -1.218 604 H GLU 79 H GLU 79 0.475 28.558 5.281 605 HA GLU 79 HA GLU 79 1.447 26.542 3.496 606 HB2 GLU 79 2HB GLU 79 1.935 27.099 6.420 607 HB3 GLU 79 3HB GLU 79 2.692 25.761 5.566 608 HG2 GLU 79 2HG GLU 79 4.336 27.197 5.144 609 HG3 GLU 79 3HG GLU 79 3.253 27.867 3.926 610 H ILE 80 H ILE 80 0.015 26.197 6.745 611 HA ILE 80 HA ILE 80 -0.538 23.500 6.631 612 HB ILE 80 HB ILE 80 -0.778 25.031 8.635 613 HG12 ILE 80 2HG1 ILE 80 -3.084 23.138 8.127 614 HG13 ILE 80 3HG1 ILE 80 -1.463 22.632 8.592 615 HG21 ILE 80 1HG2 ILE 80 -2.857 26.125 9.041 616 HG22 ILE 80 2HG2 ILE 80 -2.284 26.641 7.456 617 HG23 ILE 80 3HG2 ILE 80 -3.568 25.439 7.580 618 HD11 ILE 80 1HD1 ILE 80 -3.520 24.078 10.202 619 HD12 ILE 80 2HD1 ILE 80 -2.627 22.608 10.587 620 HD13 ILE 80 3HD1 ILE 80 -1.811 24.171 10.626 621 H ASP 81 H ASP 81 -2.279 26.153 5.190 622 HA ASP 81 HA ASP 81 -4.687 24.744 4.646 623 HB2 ASP 81 2HB ASP 81 -4.539 27.215 4.681 624 HB3 ASP 81 3HB ASP 81 -3.538 27.161 3.232 625 H MET 82 H MET 82 -1.905 25.605 2.592 626 HA MET 82 HA MET 82 -2.735 24.365 0.255 627 HB2 MET 82 2HB MET 82 -0.117 25.166 1.397 628 HB3 MET 82 3HB MET 82 -0.076 24.017 0.066 629 HG2 MET 82 2HG MET 82 -1.093 25.524 -1.413 630 HG3 MET 82 3HG MET 82 -1.614 26.583 -0.104 631 HE1 MET 82 1HE MET 82 -0.316 27.108 -2.796 632 HE2 MET 82 2HE MET 82 -0.067 28.683 -2.044 633 HE3 MET 82 3HE MET 82 1.297 27.820 -2.756 634 H ALA 83 H ALA 83 -1.340 22.995 3.147 635 HA ALA 83 HA ALA 83 -0.665 20.462 2.048 636 HB1 ALA 83 1HB ALA 83 -0.655 21.721 4.665 637 HB2 ALA 83 2HB ALA 83 -1.118 20.020 4.733 638 HB3 ALA 83 3HB ALA 83 0.414 20.488 3.997 639 H ILE 84 H ILE 84 -3.298 21.325 4.300 640 HA ILE 84 HA ILE 84 -4.707 18.948 4.146 641 HB ILE 84 HB ILE 84 -5.287 20.565 5.819 642 HG12 ILE 84 2HG1 ILE 84 -7.746 20.641 4.129 643 HG13 ILE 84 3HG1 ILE 84 -7.088 19.068 4.565 644 HG21 ILE 84 1HG2 ILE 84 -6.286 22.702 5.337 645 HG22 ILE 84 2HG2 ILE 84 -4.762 22.568 4.463 646 HG23 ILE 84 3HG2 ILE 84 -6.289 22.353 3.608 647 HD11 ILE 84 1HD1 ILE 84 -7.091 20.117 6.977 648 HD12 ILE 84 2HD1 ILE 84 -8.341 21.141 6.272 649 HD13 ILE 84 3HD1 ILE 84 -8.540 19.389 6.283 650 H VAL 85 H VAL 85 -4.953 21.818 2.088 651 HA VAL 85 HA VAL 85 -7.162 21.016 0.561 652 HB VAL 85 HB VAL 85 -4.830 22.763 -0.236 653 HG11 VAL 85 1HG1 VAL 85 -6.956 23.592 -1.726 654 HG12 VAL 85 2HG1 VAL 85 -5.672 22.527 -2.302 655 HG13 VAL 85 3HG1 VAL 85 -7.188 21.844 -1.712 656 HG21 VAL 85 1HG2 VAL 85 -5.852 24.488 0.777 657 HG22 VAL 85 2HG2 VAL 85 -7.461 23.949 0.297 658 HG23 VAL 85 3HG2 VAL 85 -6.675 23.233 1.704 659 H THR 86 H THR 86 -3.697 20.446 0.116 660 HA THR 86 HA THR 86 -3.813 19.234 -2.405 661 HB THR 86 HB THR 86 -1.860 18.791 -0.142 662 HG1 THR 86 HG1 THR 86 -2.042 20.920 -1.212 663 HG21 THR 86 1HG2 THR 86 -2.149 17.427 -2.692 664 HG22 THR 86 2HG2 THR 86 -1.109 17.045 -1.320 665 HG23 THR 86 3HG2 THR 86 -0.579 18.213 -2.529 666 H LEU 87 H LEU 87 -3.956 17.795 0.841 667 HA LEU 87 HA LEU 87 -4.052 15.117 0.109 668 HB2 LEU 87 2HB LEU 87 -4.542 16.679 2.459 669 HB3 LEU 87 3HB LEU 87 -5.781 15.435 2.309 670 HG LEU 87 HG LEU 87 -3.866 14.758 3.719 671 HD11 LEU 87 1HD1 LEU 87 -3.759 13.032 1.294 672 HD12 LEU 87 2HD1 LEU 87 -5.292 13.225 2.145 673 HD13 LEU 87 3HD1 LEU 87 -3.887 12.583 2.995 674 HD21 LEU 87 1HD2 LEU 87 -2.283 16.033 1.988 675 HD22 LEU 87 2HD2 LEU 87 -2.143 14.399 1.339 676 HD23 LEU 87 3HD2 LEU 87 -1.711 14.721 3.019 677 H LYS 88 H LYS 88 -6.718 17.424 0.525 678 HA LYS 88 HA LYS 88 -8.766 15.561 -0.118 679 HB2 LYS 88 2HB LYS 88 -8.602 18.529 0.180 680 HB3 LYS 88 3HB LYS 88 -10.015 17.839 -0.609 681 HG2 LYS 88 2HG LYS 88 -10.902 17.307 1.346 682 HG3 LYS 88 3HG LYS 88 -9.460 16.398 1.802 683 HD2 LYS 88 2HD LYS 88 -8.675 18.064 3.093 684 HD3 LYS 88 3HD LYS 88 -9.151 19.312 1.939 685 HE2 LYS 88 2HE LYS 88 -11.128 17.863 3.683 686 HE3 LYS 88 3HE LYS 88 -10.318 19.344 4.190 687 HZ1 LYS 88 1HZ LYS 88 -11.270 20.494 2.314 688 HZ2 LYS 88 2HZ LYS 88 -12.505 19.762 3.209 689 HZ3 LYS 88 3HZ LYS 88 -11.993 19.072 1.752 690 H VAL 89 H VAL 89 -7.484 18.323 -1.983 691 HA VAL 89 HA VAL 89 -8.792 17.876 -4.362 692 HB VAL 89 HB VAL 89 -5.963 18.882 -4.025 693 HG11 VAL 89 1HG1 VAL 89 -7.208 20.097 -6.223 694 HG12 VAL 89 2HG1 VAL 89 -5.873 18.943 -6.245 695 HG13 VAL 89 3HG1 VAL 89 -7.538 18.371 -6.371 696 HG21 VAL 89 1HG2 VAL 89 -8.147 19.986 -2.924 697 HG22 VAL 89 2HG2 VAL 89 -6.779 20.930 -3.513 698 HG23 VAL 89 3HG2 VAL 89 -8.213 20.729 -4.521 699 H PHE 90 H PHE 90 -5.996 16.224 -3.060 700 HA PHE 90 HA PHE 90 -5.405 14.832 -5.512 701 HB2 PHE 90 2HB PHE 90 -3.614 15.359 -3.924 702 HB3 PHE 90 3HB PHE 90 -4.399 14.371 -2.696 703 HD1 PHE 90 HD1 PHE 90 -2.962 14.162 -6.121 704 HD2 PHE 90 HD2 PHE 90 -3.820 12.145 -2.473 705 HE1 PHE 90 HE1 PHE 90 -1.723 12.194 -6.923 706 HE2 PHE 90 HE2 PHE 90 -2.581 10.174 -3.268 707 HZ PHE 90 HZ PHE 90 -1.530 10.197 -5.495 708 H ALA 91 H ALA 91 -7.149 14.185 -2.537 709 HA ALA 91 HA ALA 91 -7.503 11.398 -2.964 710 HB1 ALA 91 1HB ALA 91 -9.338 13.143 -1.346 711 HB2 ALA 91 2HB ALA 91 -8.955 11.436 -1.114 712 HB3 ALA 91 3HB ALA 91 -7.738 12.667 -0.775 713 H VAL 92 H VAL 92 -9.565 14.226 -3.577 714 HA VAL 92 HA VAL 92 -11.712 12.712 -4.682 715 HB VAL 92 HB VAL 92 -11.141 15.640 -5.138 716 HG11 VAL 92 1HG1 VAL 92 -13.206 13.884 -6.011 717 HG12 VAL 92 2HG1 VAL 92 -13.897 15.048 -4.880 718 HG13 VAL 92 3HG1 VAL 92 -13.028 15.613 -6.307 719 HG21 VAL 92 1HG2 VAL 92 -12.950 15.688 -3.178 720 HG22 VAL 92 2HG2 VAL 92 -12.125 14.188 -2.750 721 HG23 VAL 92 3HG2 VAL 92 -11.214 15.693 -2.867 722 H ALA 93 H ALA 93 -9.221 14.793 -6.152 723 HA ALA 93 HA ALA 93 -9.963 14.137 -8.825 724 HB1 ALA 93 1HB ALA 93 -8.377 15.631 -9.481 725 HB2 ALA 93 2HB ALA 93 -8.587 16.167 -7.813 726 HB3 ALA 93 3HB ALA 93 -7.228 15.127 -8.240 727 H GLY 94 H GLY 94 -8.229 12.474 -6.442 728 HA2 GLY 94 2HA GLY 94 -6.727 10.908 -8.426 729 HA3 GLY 94 3HA GLY 94 -6.429 10.918 -6.694 730 H LEU 95 H LEU 95 -8.085 9.915 -5.312 731 HA LEU 95 HA LEU 95 -8.701 7.320 -6.159 732 HB2 LEU 95 2HB LEU 95 -9.642 8.994 -3.855 733 HB3 LEU 95 3HB LEU 95 -10.241 7.356 -4.108 734 HG LEU 95 HG LEU 95 -8.501 7.284 -2.470 735 HD11 LEU 95 1HD1 LEU 95 -6.782 6.281 -4.554 736 HD12 LEU 95 2HD1 LEU 95 -8.462 5.830 -4.843 737 HD13 LEU 95 3HD1 LEU 95 -7.684 5.403 -3.319 738 HD21 LEU 95 1HD2 LEU 95 -6.486 8.352 -2.581 739 HD22 LEU 95 2HD2 LEU 95 -7.472 9.479 -3.515 740 HD23 LEU 95 3HD2 LEU 95 -6.436 8.316 -4.345 741 H LEU 96 H LEU 96 -10.843 10.127 -5.704 742 HA LEU 96 HA LEU 96 -13.137 8.765 -6.736 743 HB2 LEU 96 2HB LEU 96 -12.685 11.077 -5.287 744 HB3 LEU 96 3HB LEU 96 -13.250 11.667 -6.848 745 HG LEU 96 HG LEU 96 -15.062 11.439 -5.198 746 HD11 LEU 96 1HD1 LEU 96 -16.623 10.344 -6.642 747 HD12 LEU 96 2HD1 LEU 96 -15.333 9.447 -7.442 748 HD13 LEU 96 3HD1 LEU 96 -15.447 11.195 -7.644 749 HD21 LEU 96 1HD2 LEU 96 -15.142 9.685 -3.845 750 HD22 LEU 96 2HD2 LEU 96 -13.796 8.934 -4.705 751 HD23 LEU 96 3HD2 LEU 96 -15.453 8.639 -5.232 752 H ASN 97 H ASN 97 -10.427 10.031 -8.201 753 HA ASN 97 HA ASN 97 -9.879 10.646 -10.326 754 HB2 ASN 97 2HB ASN 97 -11.026 8.258 -10.480 755 HB3 ASN 97 3HB ASN 97 -12.235 9.156 -11.393 756 HD21 ASN 97 1HD2 ASN 97 -9.001 7.954 -11.331 757 HD22 ASN 97 2HD2 ASN 97 -8.610 8.315 -12.975 758 H MET 98 H MET 98 -11.734 12.382 -8.899 759 HA MET 98 HA MET 98 -13.664 13.325 -10.811 760 HB2 MET 98 2HB MET 98 -13.192 13.662 -8.044 761 HB3 MET 98 3HB MET 98 -13.096 15.262 -8.770 762 HG2 MET 98 2HG MET 98 -15.319 14.399 -9.961 763 HG3 MET 98 3HG MET 98 -15.401 13.438 -8.486 764 HE1 MET 98 1HE MET 98 -15.669 14.399 -6.089 765 HE2 MET 98 2HE MET 98 -16.839 15.714 -5.981 766 HE3 MET 98 3HE MET 98 -17.190 14.300 -6.976 767 H THR 99 H THR 99 -13.677 15.692 -11.420 768 HA THR 99 HA THR 99 -10.996 16.421 -12.378 769 HB THR 99 HB THR 99 -12.333 17.954 -13.946 770 HG1 THR 99 HG1 THR 99 -14.515 16.903 -14.279 771 HG21 THR 99 1HG2 THR 99 -11.345 16.160 -15.018 772 HG22 THR 99 2HG2 THR 99 -13.052 15.863 -15.344 773 HG23 THR 99 3HG2 THR 99 -12.229 14.969 -14.067 774 H VAL 100 H VAL 100 -10.825 17.201 -10.018 775 HA VAL 100 HA VAL 100 -12.166 19.379 -8.991 776 HB VAL 100 HB VAL 100 -9.220 18.775 -8.709 777 HG11 VAL 100 1HG1 VAL 100 -9.756 21.056 -8.029 778 HG12 VAL 100 2HG1 VAL 100 -11.037 20.450 -6.978 779 HG13 VAL 100 3HG1 VAL 100 -9.353 20.057 -6.632 780 HG21 VAL 100 1HG2 VAL 100 -10.750 16.922 -8.081 781 HG22 VAL 100 2HG2 VAL 100 -9.816 17.553 -6.724 782 HG23 VAL 100 3HG2 VAL 100 -11.513 17.998 -6.910 783 H SER 101 H SER 101 -12.461 21.370 -9.719 784 HA SER 101 HA SER 101 -10.944 22.409 -11.917 785 HB2 SER 101 2HB SER 101 -13.433 23.004 -10.618 786 HB3 SER 101 3HB SER 101 -12.483 24.483 -10.750 787 HG SER 101 HG SER 101 -13.194 22.711 -12.850 788 H THR 102 H THR 102 -11.377 23.417 -8.527 789 HA THR 102 HA THR 102 -8.700 24.620 -8.625 790 HB THR 102 HB THR 102 -9.380 26.607 -7.508 791 HG1 THR 102 HG1 THR 102 -10.995 26.353 -6.159 792 HG21 THR 102 1HG2 THR 102 -9.889 26.352 -10.009 793 HG22 THR 102 2HG2 THR 102 -10.676 27.676 -9.151 794 HG23 THR 102 3HG2 THR 102 -11.577 26.206 -9.520 795 H ALA 103 H ALA 103 -7.687 24.870 -6.539 796 HA ALA 103 HA ALA 103 -7.819 22.647 -4.908 797 HB1 ALA 103 1HB ALA 103 -6.323 25.026 -4.995 798 HB2 ALA 103 2HB ALA 103 -6.945 24.882 -3.351 799 HB3 ALA 103 3HB ALA 103 -5.995 23.572 -4.053 800 H ALA 104 H ALA 104 -9.451 25.763 -4.530 801 HA ALA 104 HA ALA 104 -10.577 25.204 -1.987 802 HB1 ALA 104 1HB ALA 104 -11.835 27.186 -2.262 803 HB2 ALA 104 2HB ALA 104 -10.282 27.479 -3.045 804 HB3 ALA 104 3HB ALA 104 -11.706 27.111 -4.020 805 H ALA 105 H ALA 105 -11.643 24.656 -5.290 806 HA ALA 105 HA ALA 105 -14.329 24.035 -4.779 807 HB1 ALA 105 1HB ALA 105 -12.917 22.561 -6.931 808 HB2 ALA 105 2HB ALA 105 -14.454 23.425 -6.966 809 HB3 ALA 105 3HB ALA 105 -12.937 24.323 -7.020 810 H ALA 106 H ALA 106 -11.425 22.016 -4.754 811 HA ALA 106 HA ALA 106 -12.785 19.558 -4.341 812 HB1 ALA 106 1HB ALA 106 -10.150 20.356 -4.823 813 HB2 ALA 106 2HB ALA 106 -10.118 19.534 -3.262 814 HB3 ALA 106 3HB ALA 106 -10.761 18.707 -4.682 815 H GLU 107 H GLU 107 -11.046 21.740 -2.127 816 HA GLU 107 HA GLU 107 -11.414 20.306 0.222 817 HB2 GLU 107 2HB GLU 107 -10.754 23.073 -0.493 818 HB3 GLU 107 3HB GLU 107 -11.549 22.917 1.067 819 HG2 GLU 107 2HG GLU 107 -9.511 20.920 0.807 820 HG3 GLU 107 3HG GLU 107 -8.845 22.516 0.465 821 H ASN 108 H ASN 108 -13.502 22.771 -1.249 822 HA ASN 108 HA ASN 108 -15.466 22.683 0.808 823 HB2 ASN 108 2HB ASN 108 -15.050 24.556 -0.898 824 HB3 ASN 108 3HB ASN 108 -15.973 23.569 -2.028 825 HD21 ASN 108 1HD2 ASN 108 -16.974 25.942 -1.611 826 HD22 ASN 108 2HD2 ASN 108 -18.349 25.902 -0.565 827 H MET 109 H MET 109 -15.010 20.985 -2.231 828 HA MET 109 HA MET 109 -17.585 19.829 -2.388 829 HB2 MET 109 2HB MET 109 -14.952 19.381 -3.678 830 HB3 MET 109 3HB MET 109 -16.086 18.036 -3.720 831 HG2 MET 109 2HG MET 109 -17.298 20.581 -4.446 832 HG3 MET 109 3HG MET 109 -15.973 20.110 -5.507 833 HE1 MET 109 1HE MET 109 -19.502 17.287 -4.627 834 HE2 MET 109 2HE MET 109 -17.955 17.133 -3.794 835 HE3 MET 109 3HE MET 109 -18.937 18.581 -3.568 836 H TYR 110 H TYR 110 -14.505 18.612 -1.099 837 HA TYR 110 HA TYR 110 -15.437 16.081 -0.324 838 HB2 TYR 110 2HB TYR 110 -13.006 17.240 -0.370 839 HB3 TYR 110 3HB TYR 110 -13.348 17.352 1.353 840 HD1 TYR 110 HD1 TYR 110 -13.737 14.787 -1.349 841 HD2 TYR 110 HD2 TYR 110 -12.480 15.646 2.625 842 HE1 TYR 110 HE1 TYR 110 -13.047 12.443 -1.066 843 HE2 TYR 110 HE2 TYR 110 -11.785 13.305 2.917 844 HH TYR 110 HH TYR 110 -12.693 10.842 0.807 845 H SER 111 H SER 111 -15.198 19.124 1.488 846 HA SER 111 HA SER 111 -16.192 18.073 3.925 847 HB2 SER 111 2HB SER 111 -15.769 20.140 4.729 848 HB3 SER 111 3HB SER 111 -15.048 20.453 3.150 849 HG SER 111 HG SER 111 -16.869 21.477 2.508 850 H GLN 112 H GLN 112 -17.730 19.831 1.254 851 HA GLN 112 HA GLN 112 -20.297 19.991 2.395 852 HB2 GLN 112 2HB GLN 112 -19.539 21.330 0.450 853 HB3 GLN 112 3HB GLN 112 -19.569 19.875 -0.536 854 HG2 GLN 112 2HG GLN 112 -21.567 20.942 -1.041 855 HG3 GLN 112 3HG GLN 112 -22.029 19.697 0.119 856 HE21 GLN 112 1HE2 GLN 112 -23.141 20.294 1.851 857 HE22 GLN 112 2HE2 GLN 112 -23.378 21.920 2.384 858 H MET 113 H MET 113 -18.794 17.564 0.305 859 HA MET 113 HA MET 113 -21.081 15.982 -0.107 860 HB2 MET 113 2HB MET 113 -18.132 15.484 -0.268 861 HB3 MET 113 3HB MET 113 -19.249 14.132 -0.404 862 HG2 MET 113 2HG MET 113 -19.817 16.481 -2.096 863 HG3 MET 113 3HG MET 113 -18.377 15.547 -2.496 864 HE1 MET 113 1HE MET 113 -18.512 14.095 -4.325 865 HE2 MET 113 2HE MET 113 -18.520 12.817 -3.111 866 HE3 MET 113 3HE MET 113 -19.622 12.734 -4.486 867 H GLY 114 H GLY 114 -19.171 16.473 2.671 868 HA2 GLY 114 2HA GLY 114 -19.876 15.721 4.814 869 HA3 GLY 114 3HA GLY 114 -20.649 14.342 4.045 870 H LEU 115 H LEU 115 -17.471 15.135 2.999 871 HA LEU 115 HA LEU 115 -16.473 12.697 4.268 872 HB2 LEU 115 2HB LEU 115 -15.265 14.414 2.105 873 HB3 LEU 115 3HB LEU 115 -14.599 12.894 2.700 874 HG LEU 115 HG LEU 115 -17.288 12.455 1.834 875 HD11 LEU 115 1HD1 LEU 115 -17.406 13.274 -0.287 876 HD12 LEU 115 2HD1 LEU 115 -15.656 13.347 -0.480 877 HD13 LEU 115 3HD1 LEU 115 -16.489 14.575 0.471 878 HD21 LEU 115 1HD2 LEU 115 -16.361 10.598 0.966 879 HD22 LEU 115 2HD2 LEU 115 -14.959 11.085 1.919 880 HD23 LEU 115 3HD2 LEU 115 -15.042 11.483 0.202 881 H ASP 116 H ASP 116 -15.984 16.155 4.200 882 HA ASP 116 HA ASP 116 -13.913 15.858 6.276 883 HB2 ASP 116 2HB ASP 116 -13.109 16.845 4.112 884 HB3 ASP 116 3HB ASP 116 -14.213 18.190 4.378 885 H THR 117 H THR 117 -16.116 15.708 7.479 886 HA THR 117 HA THR 117 -17.760 17.909 7.878 887 HB THR 117 HB THR 117 -18.015 16.878 10.270 888 HG1 THR 117 HG1 THR 117 -16.143 15.611 10.261 889 HG21 THR 117 1HG2 THR 117 -19.679 15.493 9.455 890 HG22 THR 117 2HG2 THR 117 -18.719 14.982 8.067 891 HG23 THR 117 3HG2 THR 117 -19.438 16.592 8.097 892 H ARG 118 H ARG 118 -17.793 19.594 9.363 893 HA ARG 118 HA ARG 118 -15.184 20.528 10.192 894 HB2 ARG 118 2HB ARG 118 -17.841 21.701 9.771 895 HB3 ARG 118 3HB ARG 118 -16.978 22.367 11.151 896 HG2 ARG 118 2HG ARG 118 -15.296 23.247 9.848 897 HG3 ARG 118 3HG ARG 118 -15.587 22.115 8.525 898 HD2 ARG 118 2HD ARG 118 -16.884 23.608 7.520 899 HD3 ARG 118 3HD ARG 118 -17.949 23.640 8.923 900 HE ARG 118 HE ARG 118 -17.075 25.673 9.464 901 HH11 ARG 118 1HH1 ARG 118 -14.835 24.026 7.370 902 HH12 ARG 118 2HH1 ARG 118 -13.755 25.374 7.247 903 HH21 ARG 118 1HH2 ARG 118 -15.661 27.456 9.310 904 HH22 ARG 118 2HH2 ARG 118 -14.225 27.326 8.352 905 HA PRO 119 HA PRO 119 -15.345 19.481 14.449 906 HB2 PRO 119 2HB PRO 119 -14.309 21.692 15.638 907 HB3 PRO 119 3HB PRO 119 -13.332 20.561 14.695 908 HG2 PRO 119 2HG PRO 119 -14.495 23.196 13.880 909 HG3 PRO 119 3HG PRO 119 -12.882 22.535 13.553 910 HD2 PRO 119 2HD PRO 119 -14.870 22.498 11.716 911 HD3 PRO 119 3HD PRO 119 -13.631 21.230 11.808 Start of MODEL 6 1 H1 GLY 2 H GLY 2 4.182 -0.993 1.986 2 HA2 GLY 2 2HA GLY 2 3.632 -0.777 -0.247 3 HA3 GLY 2 3HA GLY 2 2.858 0.695 0.321 4 H ASN 3 H ASN 3 3.622 2.616 -0.350 5 HA ASN 3 HA ASN 3 4.818 4.132 -1.552 6 HB2 ASN 3 2HB ASN 3 6.510 3.587 0.209 7 HB3 ASN 3 3HB ASN 3 7.197 2.387 -0.882 8 HD21 ASN 3 1HD2 ASN 3 6.509 5.813 -0.498 9 HD22 ASN 3 2HD2 ASN 3 7.772 6.371 -1.538 10 H GLY 4 H GLY 4 3.528 2.314 -3.109 11 HA2 GLY 4 2HA GLY 4 5.425 1.298 -5.083 12 HA3 GLY 4 3HA GLY 4 3.693 1.001 -5.055 13 H GLN 5 H GLN 5 3.954 1.476 -7.390 14 HA GLN 5 HA GLN 5 3.044 4.099 -7.961 15 HB2 GLN 5 2HB GLN 5 5.439 4.611 -7.704 16 HB3 GLN 5 3HB GLN 5 5.823 3.415 -8.936 17 HG2 GLN 5 2HG GLN 5 4.625 4.709 -10.601 18 HG3 GLN 5 3HG GLN 5 4.170 5.892 -9.374 19 HE21 GLN 5 1HE2 GLN 5 6.486 4.963 -11.647 20 HE22 GLN 5 2HE2 GLN 5 7.702 6.125 -11.252 21 H GLY 6 H GLY 6 1.883 4.094 -9.807 22 HA2 GLY 6 2HA GLY 6 2.491 2.386 -12.025 23 HA3 GLY 6 3HA GLY 6 1.132 1.786 -11.087 24 H ARG 7 H ARG 7 -0.229 2.088 -12.909 25 HA ARG 7 HA ARG 7 -0.568 4.441 -14.342 26 HB2 ARG 7 2HB ARG 7 -2.690 2.415 -13.605 27 HB3 ARG 7 3HB ARG 7 -2.803 3.594 -14.905 28 HG2 ARG 7 2HG ARG 7 -0.404 2.110 -15.252 29 HG3 ARG 7 3HG ARG 7 -1.734 0.982 -14.988 30 HD2 ARG 7 2HD ARG 7 -2.940 2.611 -16.705 31 HD3 ARG 7 3HD ARG 7 -1.274 2.904 -17.202 32 HE ARG 7 HE ARG 7 -1.247 0.830 -18.156 33 HH11 ARG 7 1HH1 ARG 7 -3.879 0.984 -15.883 34 HH12 ARG 7 2HH1 ARG 7 -4.520 -0.565 -16.321 35 HH21 ARG 7 1HH2 ARG 7 -2.081 -1.210 -18.741 36 HH22 ARG 7 2HH2 ARG 7 -3.496 -1.813 -17.947 37 H ASP 8 H ASP 8 -1.831 3.506 -11.208 38 HA ASP 8 HA ASP 8 -3.752 5.557 -10.940 39 HB2 ASP 8 2HB ASP 8 -3.473 3.437 -9.521 40 HB3 ASP 8 3HB ASP 8 -2.238 4.333 -8.639 41 H TRP 9 H TRP 9 -0.422 5.314 -9.693 42 HA TRP 9 HA TRP 9 -0.291 7.828 -8.503 43 HB2 TRP 9 2HB TRP 9 1.395 5.794 -8.542 44 HB3 TRP 9 3HB TRP 9 2.131 6.710 -9.854 45 HD1 TRP 9 HD1 TRP 9 4.134 7.997 -8.941 46 HE1 TRP 9 HE1 TRP 9 4.655 9.347 -6.812 47 HE3 TRP 9 HE3 TRP 9 -0.262 7.283 -6.430 48 HZ2 TRP 9 HZ2 TRP 9 3.372 10.020 -4.389 49 HZ3 TRP 9 HZ3 TRP 9 -0.534 8.314 -4.212 50 HH2 TRP 9 HH2 TRP 9 1.247 9.653 -3.215 51 H LYS 10 H LYS 10 0.486 6.846 -11.820 52 HA LYS 10 HA LYS 10 1.384 9.391 -12.677 53 HB2 LYS 10 2HB LYS 10 1.223 6.825 -13.772 54 HB3 LYS 10 3HB LYS 10 0.192 7.813 -14.799 55 HG2 LYS 10 2HG LYS 10 2.430 9.376 -14.493 56 HG3 LYS 10 3HG LYS 10 3.089 7.741 -14.576 57 HD2 LYS 10 2HD LYS 10 2.297 7.388 -16.714 58 HD3 LYS 10 3HD LYS 10 1.011 8.586 -16.547 59 HE2 LYS 10 2HE LYS 10 2.567 9.564 -18.007 60 HE3 LYS 10 3HE LYS 10 2.869 10.324 -16.446 61 HZ1 LYS 10 1HZ LYS 10 4.518 8.196 -16.385 62 HZ2 LYS 10 2HZ LYS 10 4.981 9.759 -16.835 63 HZ3 LYS 10 3HZ LYS 10 4.579 8.623 -18.022 64 H MET 11 H MET 11 -1.744 7.729 -13.004 65 HA MET 11 HA MET 11 -3.056 9.768 -14.419 66 HB2 MET 11 2HB MET 11 -3.921 7.474 -14.240 67 HB3 MET 11 3HB MET 11 -4.227 7.722 -12.526 68 HG2 MET 11 2HG MET 11 -6.236 8.500 -13.000 69 HG3 MET 11 3HG MET 11 -5.510 9.815 -13.920 70 HE1 MET 11 1HE MET 11 -4.829 9.811 -16.077 71 HE2 MET 11 2HE MET 11 -5.042 8.577 -17.319 72 HE3 MET 11 3HE MET 11 -6.328 9.743 -17.004 73 H ALA 12 H ALA 12 -2.422 9.322 -11.014 74 HA ALA 12 HA ALA 12 -4.291 11.201 -10.021 75 HB1 ALA 12 1HB ALA 12 -1.716 10.695 -8.606 76 HB2 ALA 12 2HB ALA 12 -3.350 10.845 -7.958 77 HB3 ALA 12 3HB ALA 12 -2.867 9.372 -8.800 78 H ILE 13 H ILE 13 -0.759 11.495 -10.458 79 HA ILE 13 HA ILE 13 -0.702 14.281 -9.960 80 HB ILE 13 HB ILE 13 1.319 12.654 -11.505 81 HG12 ILE 13 2HG1 ILE 13 0.837 11.702 -9.267 82 HG13 ILE 13 3HG1 ILE 13 2.474 12.341 -9.385 83 HG21 ILE 13 1HG2 ILE 13 2.114 14.733 -11.863 84 HG22 ILE 13 2HG2 ILE 13 1.220 15.424 -10.511 85 HG23 ILE 13 3HG2 ILE 13 2.727 14.557 -10.219 86 HD11 ILE 13 1HD1 ILE 13 0.626 12.882 -7.410 87 HD12 ILE 13 2HD1 ILE 13 2.125 13.759 -7.719 88 HD13 ILE 13 3HD1 ILE 13 0.609 14.328 -8.419 89 H LYS 14 H LYS 14 -1.138 12.363 -12.853 90 HA LYS 14 HA LYS 14 -0.667 14.371 -14.768 91 HB2 LYS 14 2HB LYS 14 -0.754 12.061 -15.440 92 HB3 LYS 14 3HB LYS 14 -2.406 11.903 -14.861 93 HG2 LYS 14 2HG LYS 14 -3.177 13.431 -16.588 94 HG3 LYS 14 3HG LYS 14 -1.518 13.640 -17.156 95 HD2 LYS 14 2HD LYS 14 -2.061 10.855 -17.039 96 HD3 LYS 14 3HD LYS 14 -3.406 11.637 -17.873 97 HE2 LYS 14 2HE LYS 14 -0.484 11.965 -18.552 98 HE3 LYS 14 3HE LYS 14 -1.629 10.946 -19.422 99 HZ1 LYS 14 1HZ LYS 14 -1.686 13.902 -19.188 100 HZ2 LYS 14 2HZ LYS 14 -2.941 12.990 -19.859 101 HZ3 LYS 14 3HZ LYS 14 -1.414 12.992 -20.588 102 H ARG 15 H ARG 15 -3.587 13.407 -13.024 103 HA ARG 15 HA ARG 15 -5.335 15.157 -14.428 104 HB2 ARG 15 2HB ARG 15 -5.495 13.338 -12.133 105 HB3 ARG 15 3HB ARG 15 -6.536 14.748 -11.989 106 HG2 ARG 15 2HG ARG 15 -6.755 13.645 -14.624 107 HG3 ARG 15 3HG ARG 15 -7.026 12.389 -13.413 108 HD2 ARG 15 2HD ARG 15 -8.855 13.480 -12.503 109 HD3 ARG 15 3HD ARG 15 -8.358 15.050 -13.133 110 HE ARG 15 HE ARG 15 -10.027 13.154 -14.425 111 HH11 ARG 15 1HH1 ARG 15 -7.549 15.521 -15.035 112 HH12 ARG 15 2HH1 ARG 15 -8.071 15.842 -16.656 113 HH21 ARG 15 1HH2 ARG 15 -10.725 13.567 -16.557 114 HH22 ARG 15 2HH2 ARG 15 -9.878 14.730 -17.520 115 H CYS 16 H CYS 16 -3.876 15.340 -11.179 116 HA CYS 16 HA CYS 16 -4.825 17.942 -10.621 117 HB2 CYS 16 2HB CYS 16 -2.371 16.634 -9.440 118 HB3 CYS 16 3HB CYS 16 -3.355 17.901 -8.719 119 HG CYS 16 HG CYS 16 -3.995 15.729 -7.238 120 H SER 17 H SER 17 -2.377 16.841 -12.678 121 HA SER 17 HA SER 17 -0.475 18.897 -12.479 122 HB2 SER 17 2HB SER 17 -0.961 16.653 -14.180 123 HB3 SER 17 3HB SER 17 -0.646 18.060 -15.196 124 HG SER 17 HG SER 17 1.349 18.177 -14.449 125 H ASN 18 H ASN 18 -3.666 18.917 -13.669 126 HA ASN 18 HA ASN 18 -3.213 21.570 -14.864 127 HB2 ASN 18 2HB ASN 18 -3.801 19.600 -16.461 128 HB3 ASN 18 3HB ASN 18 -5.426 19.769 -15.803 129 HD21 ASN 18 1HD2 ASN 18 -6.081 20.307 -17.947 130 HD22 ASN 18 2HD2 ASN 18 -5.848 21.909 -18.552 131 H VAL 19 H VAL 19 -3.869 21.042 -12.149 132 HA VAL 19 HA VAL 19 -6.631 22.069 -12.030 133 HB VAL 19 HB VAL 19 -6.236 19.802 -10.979 134 HG11 VAL 19 1HG1 VAL 19 -4.737 19.476 -9.348 135 HG12 VAL 19 2HG1 VAL 19 -4.016 20.988 -9.902 136 HG13 VAL 19 3HG1 VAL 19 -5.143 20.992 -8.544 137 HG21 VAL 19 1HG2 VAL 19 -7.085 21.681 -8.833 138 HG22 VAL 19 2HG2 VAL 19 -7.987 21.670 -10.349 139 HG23 VAL 19 3HG2 VAL 19 -7.845 20.193 -9.397 140 H ALA 20 H ALA 20 -7.077 23.783 -10.646 141 HA ALA 20 HA ALA 20 -4.910 25.600 -10.207 142 HB1 ALA 20 1HB ALA 20 -6.644 26.956 -10.554 143 HB2 ALA 20 2HB ALA 20 -7.814 25.697 -10.155 144 HB3 ALA 20 3HB ALA 20 -7.077 26.655 -8.870 145 H VAL 21 H VAL 21 -3.988 26.262 -8.302 146 HA VAL 21 HA VAL 21 -4.347 24.454 -6.032 147 HB VAL 21 HB VAL 21 -2.063 24.729 -6.725 148 HG11 VAL 21 1HG1 VAL 21 -2.853 27.416 -7.203 149 HG12 VAL 21 2HG1 VAL 21 -1.494 27.430 -6.078 150 HG13 VAL 21 3HG1 VAL 21 -1.342 26.619 -7.637 151 HG21 VAL 21 1HG2 VAL 21 -2.405 26.383 -4.232 152 HG22 VAL 21 2HG2 VAL 21 -2.622 24.633 -4.273 153 HG23 VAL 21 3HG2 VAL 21 -1.051 25.336 -4.659 154 H GLY 22 H GLY 22 -4.747 27.805 -6.946 155 HA2 GLY 22 2HA GLY 22 -6.237 29.295 -5.900 156 HA3 GLY 22 3HA GLY 22 -6.240 28.261 -4.479 157 H VAL 23 H VAL 23 -6.067 30.545 -3.558 158 HA VAL 23 HA VAL 23 -4.849 32.025 -2.327 159 HB VAL 23 HB VAL 23 -2.373 30.408 -2.862 160 HG11 VAL 23 1HG1 VAL 23 -2.778 31.258 -0.157 161 HG12 VAL 23 2HG1 VAL 23 -1.488 31.693 -1.281 162 HG13 VAL 23 3HG1 VAL 23 -2.985 32.627 -1.248 163 HG21 VAL 23 1HG2 VAL 23 -3.095 29.140 -0.746 164 HG22 VAL 23 2HG2 VAL 23 -4.721 29.702 -1.133 165 HG23 VAL 23 3HG2 VAL 23 -3.841 28.689 -2.279 166 H GLY 24 H GLY 24 -4.928 32.023 -5.381 167 HA2 GLY 24 2HA GLY 24 -4.080 33.280 -7.107 168 HA3 GLY 24 3HA GLY 24 -3.680 34.442 -5.851 169 H GLY 25 H GLY 25 -1.912 34.840 -7.489 170 HA2 GLY 25 2HA GLY 25 0.490 34.845 -7.206 171 HA3 GLY 25 3HA GLY 25 0.392 33.144 -6.773 172 H LYS 26 H LYS 26 2.230 33.622 -8.557 173 HA LYS 26 HA LYS 26 1.228 33.553 -11.259 174 HB2 LYS 26 2HB LYS 26 3.931 33.497 -9.981 175 HB3 LYS 26 3HB LYS 26 3.769 32.961 -11.649 176 HG2 LYS 26 2HG LYS 26 2.724 35.617 -10.728 177 HG3 LYS 26 3HG LYS 26 4.394 35.392 -11.253 178 HD2 LYS 26 2HD LYS 26 2.674 34.179 -13.171 179 HD3 LYS 26 3HD LYS 26 2.084 35.810 -12.845 180 HE2 LYS 26 2HE LYS 26 4.637 36.415 -13.074 181 HE3 LYS 26 3HE LYS 26 4.681 34.917 -14.003 182 HZ1 LYS 26 1HZ LYS 26 2.473 36.393 -14.859 183 HZ2 LYS 26 2HZ LYS 26 3.875 36.017 -15.726 184 HZ3 LYS 26 3HZ LYS 26 3.796 37.446 -14.825 185 H SER 27 H SER 27 0.895 31.814 -12.520 186 HA SER 27 HA SER 27 0.473 29.640 -13.062 187 HB2 SER 27 2HB SER 27 3.250 29.617 -11.954 188 HB3 SER 27 3HB SER 27 2.479 28.077 -12.334 189 HG SER 27 HG SER 27 3.506 28.726 -14.172 190 H LYS 28 H LYS 28 -1.193 30.012 -11.226 191 HA LYS 28 HA LYS 28 -0.764 28.578 -8.782 192 HB2 LYS 28 2HB LYS 28 -3.374 29.515 -9.983 193 HB3 LYS 28 3HB LYS 28 -3.093 29.064 -8.307 194 HG2 LYS 28 2HG LYS 28 -2.367 31.097 -7.788 195 HG3 LYS 28 3HG LYS 28 -1.277 31.143 -9.175 196 HD2 LYS 28 2HD LYS 28 -2.920 32.936 -9.308 197 HD3 LYS 28 3HD LYS 28 -3.152 31.780 -10.621 198 HE2 LYS 28 2HE LYS 28 -5.093 30.924 -9.696 199 HE3 LYS 28 3HE LYS 28 -4.680 31.468 -8.071 200 HZ1 LYS 28 1HZ LYS 28 -4.860 33.788 -9.411 201 HZ2 LYS 28 2HZ LYS 28 -6.119 33.103 -8.515 202 HZ3 LYS 28 3HZ LYS 28 -6.049 32.871 -10.189 203 H LYS 29 H LYS 29 -0.025 26.611 -10.032 204 HA LYS 29 HA LYS 29 -2.329 24.823 -10.385 205 HB2 LYS 29 2HB LYS 29 -1.246 23.749 -12.299 206 HB3 LYS 29 3HB LYS 29 -1.550 25.452 -12.621 207 HG2 LYS 29 2HG LYS 29 0.818 25.924 -12.035 208 HG3 LYS 29 3HG LYS 29 1.083 24.183 -11.903 209 HD2 LYS 29 2HD LYS 29 1.707 24.465 -14.073 210 HD3 LYS 29 3HD LYS 29 -0.025 24.232 -14.323 211 HE2 LYS 29 2HE LYS 29 -0.366 26.624 -14.419 212 HE3 LYS 29 3HE LYS 29 1.330 26.912 -14.038 213 HZ1 LYS 29 1HZ LYS 29 1.959 26.494 -16.137 214 HZ2 LYS 29 2HZ LYS 29 0.347 26.838 -16.518 215 HZ3 LYS 29 3HZ LYS 29 0.851 25.232 -16.348 216 H PHE 30 H PHE 30 -2.007 22.693 -9.752 217 HA PHE 30 HA PHE 30 -0.068 22.285 -7.719 218 HB2 PHE 30 2HB PHE 30 -2.339 20.825 -8.845 219 HB3 PHE 30 3HB PHE 30 -1.023 19.770 -8.339 220 HD1 PHE 30 HD1 PHE 30 -0.227 19.851 -5.981 221 HD2 PHE 30 HD2 PHE 30 -3.734 21.886 -7.273 222 HE1 PHE 30 HE1 PHE 30 -0.976 20.034 -3.644 223 HE2 PHE 30 HE2 PHE 30 -4.488 22.074 -4.938 224 HZ PHE 30 HZ PHE 30 -3.110 21.148 -3.121 225 H GLY 31 H GLY 31 1.069 19.940 -7.841 226 HA2 GLY 31 2HA GLY 31 2.146 19.129 -10.324 227 HA3 GLY 31 3HA GLY 31 3.259 20.243 -9.544 228 H GLU 32 H GLU 32 4.086 17.706 -10.072 229 HA GLU 32 HA GLU 32 3.643 15.771 -8.119 230 HB2 GLU 32 2HB GLU 32 5.891 14.889 -8.777 231 HB3 GLU 32 3HB GLU 32 4.806 15.184 -10.128 232 HG2 GLU 32 2HG GLU 32 5.959 17.381 -10.458 233 HG3 GLU 32 3HG GLU 32 7.136 16.866 -9.251 234 H GLY 33 H GLY 33 6.100 18.337 -8.235 235 HA2 GLY 33 2HA GLY 33 7.395 17.659 -5.827 236 HA3 GLY 33 3HA GLY 33 7.430 19.240 -6.596 237 H ASN 34 H ASN 34 4.923 20.152 -6.450 238 HA ASN 34 HA ASN 34 4.680 21.035 -3.810 239 HB2 ASN 34 2HB ASN 34 3.647 21.881 -6.129 240 HB3 ASN 34 3HB ASN 34 2.242 21.012 -5.517 241 HD21 ASN 34 1HD2 ASN 34 0.876 22.276 -4.511 242 HD22 ASN 34 2HD2 ASN 34 1.272 23.652 -3.545 243 H PHE 35 H PHE 35 3.024 18.435 -5.535 244 HA PHE 35 HA PHE 35 1.100 17.803 -3.617 245 HB2 PHE 35 2HB PHE 35 0.920 16.820 -5.782 246 HB3 PHE 35 3HB PHE 35 2.518 16.092 -5.658 247 HD1 PHE 35 HD1 PHE 35 2.292 13.807 -5.688 248 HD2 PHE 35 HD2 PHE 35 -0.407 16.119 -3.345 249 HE1 PHE 35 HE1 PHE 35 1.282 11.739 -4.817 250 HE2 PHE 35 HE2 PHE 35 -1.420 14.055 -2.470 251 HZ PHE 35 HZ PHE 35 -0.576 11.861 -3.205 252 H ARG 36 H ARG 36 4.420 16.614 -3.993 253 HA ARG 36 HA ARG 36 4.371 14.758 -1.887 254 HB2 ARG 36 2HB ARG 36 6.760 16.331 -2.860 255 HB3 ARG 36 3HB ARG 36 6.787 14.794 -2.005 256 HG2 ARG 36 2HG ARG 36 5.174 14.484 -4.319 257 HG3 ARG 36 3HG ARG 36 6.683 15.266 -4.793 258 HD2 ARG 36 2HD ARG 36 6.523 12.767 -3.116 259 HD3 ARG 36 3HD ARG 36 6.740 12.770 -4.866 260 HE ARG 36 HE ARG 36 8.694 14.380 -3.570 261 HH11 ARG 36 1HH1 ARG 36 7.833 11.084 -4.284 262 HH12 ARG 36 2HH1 ARG 36 9.465 10.507 -4.225 263 HH21 ARG 36 1HH2 ARG 36 10.848 13.633 -3.488 264 HH22 ARG 36 2HH2 ARG 36 11.180 11.958 -3.771 265 H TRP 37 H TRP 37 5.620 18.096 -1.943 266 HA TRP 37 HA TRP 37 6.381 18.303 0.706 267 HB2 TRP 37 2HB TRP 37 6.980 20.068 -0.758 268 HB3 TRP 37 3HB TRP 37 5.305 20.360 -1.217 269 HD1 TRP 37 HD1 TRP 37 7.903 21.346 1.321 270 HE1 TRP 37 HE1 TRP 37 6.920 23.109 2.918 271 HE3 TRP 37 HE3 TRP 37 2.992 21.048 -0.065 272 HZ2 TRP 37 HZ2 TRP 37 4.397 24.226 3.511 273 HZ3 TRP 37 HZ3 TRP 37 1.357 22.497 1.066 274 HH2 TRP 37 HH2 TRP 37 2.047 24.052 2.817 275 H ALA 38 H ALA 38 3.185 18.460 -0.701 276 HA ALA 38 HA ALA 38 1.932 19.414 1.716 277 HB1 ALA 38 1HB ALA 38 -0.081 18.396 0.127 278 HB2 ALA 38 2HB ALA 38 0.487 20.066 0.148 279 HB3 ALA 38 3HB ALA 38 1.134 18.930 -1.036 280 H ILE 39 H ILE 39 1.457 16.424 -0.178 281 HA ILE 39 HA ILE 39 0.067 14.974 1.698 282 HB ILE 39 HB ILE 39 0.477 14.242 -0.639 283 HG12 ILE 39 2HG1 ILE 39 1.408 12.001 1.108 284 HG13 ILE 39 3HG1 ILE 39 -0.160 12.731 1.433 285 HG21 ILE 39 1HG2 ILE 39 2.494 13.291 -1.346 286 HG22 ILE 39 2HG2 ILE 39 2.978 14.735 -0.458 287 HG23 ILE 39 3HG2 ILE 39 3.108 13.149 0.302 288 HD11 ILE 39 1HD1 ILE 39 0.600 11.709 -1.281 289 HD12 ILE 39 2HD1 ILE 39 -0.140 10.687 -0.047 290 HD13 ILE 39 3HD1 ILE 39 -1.005 12.095 -0.662 291 H ARG 40 H ARG 40 3.529 15.520 1.487 292 HA ARG 40 HA ARG 40 4.224 13.601 3.490 293 HB2 ARG 40 2HB ARG 40 5.828 14.309 1.775 294 HB3 ARG 40 3HB ARG 40 5.789 15.949 2.407 295 HG2 ARG 40 2HG ARG 40 6.423 14.367 4.602 296 HG3 ARG 40 3HG ARG 40 7.347 13.681 3.263 297 HD2 ARG 40 2HD ARG 40 8.431 15.733 2.831 298 HD3 ARG 40 3HD ARG 40 7.297 16.630 3.840 299 HE ARG 40 HE ARG 40 8.465 14.901 5.573 300 HH11 ARG 40 1HH1 ARG 40 9.686 17.231 3.294 301 HH12 ARG 40 2HH1 ARG 40 11.113 17.577 4.213 302 HH21 ARG 40 1HH2 ARG 40 10.341 15.347 6.793 303 HH22 ARG 40 2HH2 ARG 40 11.485 16.504 6.203 304 H MET 41 H MET 41 4.161 17.168 3.468 305 HA MET 41 HA MET 41 4.755 17.576 6.149 306 HB2 MET 41 2HB MET 41 4.692 19.367 4.456 307 HB3 MET 41 3HB MET 41 2.939 19.242 4.397 308 HG2 MET 41 2HG MET 41 3.380 21.088 5.758 309 HG3 MET 41 3HG MET 41 2.957 19.786 6.868 310 HE1 MET 41 1HE MET 41 5.083 19.205 9.099 311 HE2 MET 41 2HE MET 41 5.147 20.950 9.342 312 HE3 MET 41 3HE MET 41 3.655 20.191 8.785 313 H ALA 42 H ALA 42 1.654 16.925 4.598 314 HA ALA 42 HA ALA 42 0.063 17.345 6.913 315 HB1 ALA 42 1HB ALA 42 -1.522 17.239 5.367 316 HB2 ALA 42 2HB ALA 42 -0.362 16.632 4.184 317 HB3 ALA 42 3HB ALA 42 -1.241 15.504 5.217 318 H ASN 43 H ASN 43 1.548 14.479 5.462 319 HA ASN 43 HA ASN 43 0.392 12.541 7.110 320 HB2 ASN 43 2HB ASN 43 2.989 12.659 5.596 321 HB3 ASN 43 3HB ASN 43 2.576 11.259 6.582 322 HD21 ASN 43 1HD2 ASN 43 2.987 10.989 3.904 323 HD22 ASN 43 2HD2 ASN 43 1.493 10.632 3.112 324 H VAL 44 H VAL 44 3.509 14.226 7.465 325 HA VAL 44 HA VAL 44 4.229 13.052 9.914 326 HB VAL 44 HB VAL 44 5.005 15.804 8.936 327 HG11 VAL 44 1HG1 VAL 44 5.765 15.716 11.111 328 HG12 VAL 44 2HG1 VAL 44 6.034 13.973 11.059 329 HG13 VAL 44 3HG1 VAL 44 7.145 15.063 10.230 330 HG21 VAL 44 1HG2 VAL 44 6.045 14.795 7.251 331 HG22 VAL 44 2HG2 VAL 44 7.065 13.972 8.431 332 HG23 VAL 44 3HG2 VAL 44 5.584 13.204 7.856 333 H SER 45 H SER 45 2.321 15.912 9.150 334 HA SER 45 HA SER 45 2.172 16.978 11.752 335 HB2 SER 45 2HB SER 45 0.248 17.206 9.427 336 HB3 SER 45 3HB SER 45 0.145 18.171 10.900 337 HG SER 45 HG SER 45 2.026 19.173 10.383 338 H THR 46 H THR 46 0.603 14.296 10.261 339 HA THR 46 HA THR 46 -1.391 14.135 12.404 340 HB THR 46 HB THR 46 -2.188 12.119 10.991 341 HG1 THR 46 HG1 THR 46 -1.578 12.618 8.683 342 HG21 THR 46 1HG2 THR 46 -2.676 14.380 9.256 343 HG22 THR 46 2HG2 THR 46 -2.792 14.842 10.954 344 HG23 THR 46 3HG2 THR 46 -3.787 13.528 10.327 345 H GLY 47 H GLY 47 1.509 13.583 12.758 346 HA2 GLY 47 2HA GLY 47 2.809 12.084 13.912 347 HA3 GLY 47 3HA GLY 47 1.305 11.341 14.438 348 H ARG 48 H ARG 48 1.794 11.529 11.051 349 HA ARG 48 HA ARG 48 2.240 8.631 10.982 350 HB2 ARG 48 2HB ARG 48 1.440 10.378 8.659 351 HB3 ARG 48 3HB ARG 48 1.284 8.633 8.807 352 HG2 ARG 48 2HG ARG 48 -0.388 8.965 10.590 353 HG3 ARG 48 3HG ARG 48 -0.269 10.708 10.338 354 HD2 ARG 48 2HD ARG 48 -1.263 10.600 8.245 355 HD3 ARG 48 3HD ARG 48 -0.884 8.891 8.044 356 HE ARG 48 HE ARG 48 -3.220 9.993 9.241 357 HH11 ARG 48 1HH1 ARG 48 -1.019 7.300 9.382 358 HH12 ARG 48 2HH1 ARG 48 -2.189 6.211 10.051 359 HH21 ARG 48 1HH2 ARG 48 -4.770 8.569 10.121 360 HH22 ARG 48 2HH2 ARG 48 -4.322 6.933 10.471 361 H GLU 49 H GLU 49 3.944 7.711 9.924 362 HA GLU 49 HA GLU 49 6.363 9.032 9.766 363 HB2 GLU 49 2HB GLU 49 5.300 6.464 8.770 364 HB3 GLU 49 3HB GLU 49 6.730 7.057 7.937 365 HG2 GLU 49 2HG GLU 49 8.065 6.543 9.638 366 HG3 GLU 49 3HG GLU 49 6.966 7.247 10.824 367 HA PRO 50 HA PRO 50 6.486 11.325 6.030 368 HB2 PRO 50 2HB PRO 50 9.010 10.867 5.143 369 HB3 PRO 50 3HB PRO 50 8.654 11.876 6.550 370 HG2 PRO 50 2HG PRO 50 9.544 9.020 6.444 371 HG3 PRO 50 3HG PRO 50 10.088 10.322 7.518 372 HD2 PRO 50 2HD PRO 50 8.306 8.438 8.299 373 HD3 PRO 50 3HD PRO 50 8.266 10.103 8.912 374 H GLY 51 H GLY 51 7.418 7.941 5.848 375 HA2 GLY 51 2HA GLY 51 7.133 7.878 2.955 376 HA3 GLY 51 3HA GLY 51 7.570 6.527 3.991 377 H ASP 52 H ASP 52 4.757 8.712 3.936 378 HA ASP 52 HA ASP 52 3.032 6.336 3.980 379 HB2 ASP 52 2HB ASP 52 2.907 8.967 5.241 380 HB3 ASP 52 3HB ASP 52 1.400 8.519 4.448 381 H ILE 53 H ILE 53 2.477 5.753 1.977 382 HA ILE 53 HA ILE 53 1.667 7.865 0.088 383 HB ILE 53 HB ILE 53 2.603 5.071 -0.576 384 HG12 ILE 53 2HG1 ILE 53 4.438 6.414 0.320 385 HG13 ILE 53 3HG1 ILE 53 4.646 6.174 -1.412 386 HG21 ILE 53 1HG2 ILE 53 2.779 6.094 -2.888 387 HG22 ILE 53 2HG2 ILE 53 1.150 5.795 -2.285 388 HG23 ILE 53 3HG2 ILE 53 1.813 7.429 -2.263 389 HD11 ILE 53 1HD1 ILE 53 3.838 8.412 -1.844 390 HD12 ILE 53 2HD1 ILE 53 3.537 8.656 -0.124 391 HD13 ILE 53 3HD1 ILE 53 5.188 8.452 -0.710 392 HA PRO 54 HA PRO 54 -2.167 5.498 1.200 393 HB2 PRO 54 2HB PRO 54 -3.739 7.701 1.420 394 HB3 PRO 54 3HB PRO 54 -2.770 7.074 2.758 395 HG2 PRO 54 2HG PRO 54 -2.181 9.338 0.890 396 HG3 PRO 54 3HG PRO 54 -1.950 9.247 2.645 397 HD2 PRO 54 2HD PRO 54 0.084 8.909 0.890 398 HD3 PRO 54 3HD PRO 54 0.021 8.068 2.453 399 H GLU 55 H GLU 55 -3.736 4.904 -0.223 400 HA GLU 55 HA GLU 55 -4.300 6.578 -2.542 401 HB2 GLU 55 2HB GLU 55 -2.367 4.877 -2.971 402 HB3 GLU 55 3HB GLU 55 -3.661 3.689 -3.025 403 HG2 GLU 55 2HG GLU 55 -4.678 4.750 -4.884 404 HG3 GLU 55 3HG GLU 55 -3.632 6.161 -4.732 405 H THR 56 H THR 56 -5.965 6.116 -0.417 406 HA THR 56 HA THR 56 -8.135 4.666 -1.717 407 HB THR 56 HB THR 56 -8.724 3.352 0.195 408 HG1 THR 56 HG1 THR 56 -7.967 3.767 2.143 409 HG21 THR 56 1HG2 THR 56 -6.731 1.898 0.441 410 HG22 THR 56 2HG2 THR 56 -5.765 3.130 -0.373 411 HG23 THR 56 3HG2 THR 56 -7.070 2.317 -1.237 412 H LEU 57 H LEU 57 -10.136 5.501 -1.300 413 HA LEU 57 HA LEU 57 -10.413 8.127 -0.494 414 HB2 LEU 57 2HB LEU 57 -12.067 6.189 -1.519 415 HB3 LEU 57 3HB LEU 57 -12.772 6.501 0.066 416 HG LEU 57 HG LEU 57 -13.860 7.834 -1.650 417 HD11 LEU 57 1HD1 LEU 57 -13.588 8.730 0.642 418 HD12 LEU 57 2HD1 LEU 57 -13.699 9.986 -0.590 419 HD13 LEU 57 3HD1 LEU 57 -12.133 9.572 0.106 420 HD21 LEU 57 1HD2 LEU 57 -12.763 8.814 -3.313 421 HD22 LEU 57 2HD2 LEU 57 -11.283 8.072 -2.704 422 HD23 LEU 57 3HD2 LEU 57 -11.734 9.698 -2.187 423 H ASP 58 H ASP 58 -10.400 5.221 1.429 424 HA ASP 58 HA ASP 58 -11.459 6.446 3.796 425 HB2 ASP 58 2HB ASP 58 -11.355 3.909 3.082 426 HB3 ASP 58 3HB ASP 58 -9.791 3.965 3.893 427 H GLN 59 H GLN 59 -8.262 5.831 2.479 428 HA GLN 59 HA GLN 59 -6.807 6.461 4.830 429 HB2 GLN 59 2HB GLN 59 -6.171 6.093 1.951 430 HB3 GLN 59 3HB GLN 59 -5.007 6.987 2.920 431 HG2 GLN 59 2HG GLN 59 -5.039 5.042 4.527 432 HG3 GLN 59 3HG GLN 59 -5.941 4.160 3.297 433 HE21 GLN 59 1HE2 GLN 59 -4.923 3.778 1.261 434 HE22 GLN 59 2HE2 GLN 59 -3.200 3.704 1.148 435 H LEU 60 H LEU 60 -7.547 8.355 1.908 436 HA LEU 60 HA LEU 60 -6.332 10.738 2.824 437 HB2 LEU 60 2HB LEU 60 -8.612 10.611 0.874 438 HB3 LEU 60 3HB LEU 60 -7.311 11.796 0.957 439 HG LEU 60 HG LEU 60 -6.186 9.206 0.511 440 HD11 LEU 60 1HD1 LEU 60 -7.321 8.307 -1.219 441 HD12 LEU 60 2HD1 LEU 60 -7.855 9.873 -1.829 442 HD13 LEU 60 3HD1 LEU 60 -8.687 9.128 -0.464 443 HD21 LEU 60 1HD2 LEU 60 -6.206 11.896 -0.702 444 HD22 LEU 60 2HD2 LEU 60 -5.764 10.563 -1.769 445 HD23 LEU 60 3HD2 LEU 60 -4.853 10.845 -0.285 446 H ARG 61 H ARG 61 -9.606 9.462 3.062 447 HA ARG 61 HA ARG 61 -10.866 11.778 4.030 448 HB2 ARG 61 2HB ARG 61 -12.176 9.918 3.230 449 HB3 ARG 61 3HB ARG 61 -11.504 8.858 4.462 450 HG2 ARG 61 2HG ARG 61 -12.771 11.213 5.594 451 HG3 ARG 61 3HG ARG 61 -13.876 10.242 4.618 452 HD2 ARG 61 2HD ARG 61 -13.957 8.626 6.154 453 HD3 ARG 61 3HD ARG 61 -12.202 8.603 6.326 454 HE ARG 61 HE ARG 61 -12.949 10.839 7.669 455 HH11 ARG 61 1HH1 ARG 61 -13.911 7.497 7.816 456 HH12 ARG 61 2HH1 ARG 61 -14.293 7.546 9.505 457 HH21 ARG 61 1HH2 ARG 61 -13.448 10.916 9.894 458 HH22 ARG 61 2HH2 ARG 61 -14.029 9.492 10.686 459 H LEU 62 H LEU 62 -9.165 9.163 5.686 460 HA LEU 62 HA LEU 62 -9.795 9.964 8.319 461 HB2 LEU 62 2HB LEU 62 -8.534 7.830 7.189 462 HB3 LEU 62 3HB LEU 62 -7.182 8.689 7.925 463 HG LEU 62 HG LEU 62 -7.926 7.035 9.469 464 HD11 LEU 62 1HD1 LEU 62 -9.188 9.533 10.529 465 HD12 LEU 62 2HD1 LEU 62 -7.451 9.447 10.240 466 HD13 LEU 62 3HD1 LEU 62 -8.213 8.329 11.372 467 HD21 LEU 62 1HD2 LEU 62 -10.602 8.001 9.994 468 HD22 LEU 62 2HD2 LEU 62 -10.036 6.361 9.678 469 HD23 LEU 62 3HD2 LEU 62 -10.426 7.434 8.333 470 H VAL 63 H VAL 63 -6.838 10.466 6.391 471 HA VAL 63 HA VAL 63 -5.524 12.100 8.258 472 HB VAL 63 HB VAL 63 -5.199 12.247 5.261 473 HG11 VAL 63 1HG1 VAL 63 -3.417 13.533 5.637 474 HG12 VAL 63 2HG1 VAL 63 -4.018 13.716 7.286 475 HG13 VAL 63 3HG1 VAL 63 -2.826 12.471 6.913 476 HG21 VAL 63 1HG2 VAL 63 -4.689 10.059 7.079 477 HG22 VAL 63 2HG2 VAL 63 -4.588 10.106 5.319 478 HG23 VAL 63 3HG2 VAL 63 -3.206 10.604 6.295 479 H ILE 64 H ILE 64 -7.411 12.994 5.370 480 HA ILE 64 HA ILE 64 -7.217 15.765 5.666 481 HB ILE 64 HB ILE 64 -9.405 14.104 4.417 482 HG12 ILE 64 2HG1 ILE 64 -7.352 15.779 2.997 483 HG13 ILE 64 3HG1 ILE 64 -6.975 14.140 3.516 484 HG21 ILE 64 1HG2 ILE 64 -10.053 16.209 3.260 485 HG22 ILE 64 2HG2 ILE 64 -10.363 16.224 4.995 486 HG23 ILE 64 3HG2 ILE 64 -8.970 17.085 4.342 487 HD11 ILE 64 1HD1 ILE 64 -7.663 14.171 1.200 488 HD12 ILE 64 2HD1 ILE 64 -8.847 13.303 2.179 489 HD13 ILE 64 3HD1 ILE 64 -9.184 14.948 1.640 490 H CYS 65 H CYS 65 -9.213 13.436 7.296 491 HA CYS 65 HA CYS 65 -11.152 15.269 8.292 492 HB2 CYS 65 2HB CYS 65 -11.703 12.925 8.184 493 HB3 CYS 65 3HB CYS 65 -10.334 12.507 9.207 494 HG CYS 65 HG CYS 65 -13.170 14.155 10.173 495 H ASP 66 H ASP 66 -8.499 13.557 9.957 496 HA ASP 66 HA ASP 66 -8.662 15.064 12.326 497 HB2 ASP 66 2HB ASP 66 -6.293 13.569 11.183 498 HB3 ASP 66 3HB ASP 66 -6.443 14.126 12.846 499 H LEU 67 H LEU 67 -6.715 15.464 9.407 500 HA LEU 67 HA LEU 67 -5.036 17.511 10.288 501 HB2 LEU 67 2HB LEU 67 -6.085 16.706 7.607 502 HB3 LEU 67 3HB LEU 67 -5.114 18.168 7.775 503 HG LEU 67 HG LEU 67 -4.229 15.370 8.475 504 HD11 LEU 67 1HD1 LEU 67 -3.365 17.168 6.216 505 HD12 LEU 67 2HD1 LEU 67 -4.462 15.797 6.054 506 HD13 LEU 67 3HD1 LEU 67 -2.790 15.535 6.550 507 HD21 LEU 67 1HD2 LEU 67 -3.142 16.911 9.935 508 HD22 LEU 67 2HD2 LEU 67 -2.820 18.030 8.610 509 HD23 LEU 67 3HD2 LEU 67 -1.992 16.473 8.673 510 H GLN 68 H GLN 68 -8.185 17.724 8.648 511 HA GLN 68 HA GLN 68 -8.363 20.503 8.524 512 HB2 GLN 68 2HB GLN 68 -9.884 18.978 7.332 513 HB3 GLN 68 3HB GLN 68 -10.610 18.508 8.864 514 HG2 GLN 68 2HG GLN 68 -11.330 20.845 9.198 515 HG3 GLN 68 3HG GLN 68 -10.681 21.242 7.607 516 HE21 GLN 68 1HE2 GLN 68 -13.359 21.601 8.378 517 HE22 GLN 68 2HE2 GLN 68 -14.343 20.561 7.411 518 H GLU 69 H GLU 69 -9.546 18.281 11.037 519 HA GLU 69 HA GLU 69 -10.639 20.254 12.715 520 HB2 GLU 69 2HB GLU 69 -11.079 17.788 12.857 521 HB3 GLU 69 3HB GLU 69 -9.483 17.597 13.569 522 HG2 GLU 69 2HG GLU 69 -10.656 17.725 15.483 523 HG3 GLU 69 3HG GLU 69 -10.451 19.456 15.216 524 H ARG 70 H ARG 70 -7.386 19.053 12.314 525 HA ARG 70 HA ARG 70 -6.339 20.163 14.724 526 HB2 ARG 70 2HB ARG 70 -5.035 19.185 12.186 527 HB3 ARG 70 3HB ARG 70 -4.117 19.801 13.553 528 HG2 ARG 70 2HG ARG 70 -5.971 17.839 14.481 529 HG3 ARG 70 3HG ARG 70 -5.054 17.185 13.122 530 HD2 ARG 70 2HD ARG 70 -3.097 17.207 14.259 531 HD3 ARG 70 3HD ARG 70 -3.503 18.679 15.139 532 HE ARG 70 HE ARG 70 -5.145 16.626 16.078 533 HH11 ARG 70 1HH1 ARG 70 -1.778 17.510 16.051 534 HH12 ARG 70 2HH1 ARG 70 -1.420 16.703 17.541 535 HH21 ARG 70 1HH2 ARG 70 -4.686 15.559 18.041 536 HH22 ARG 70 2HH2 ARG 70 -3.074 15.592 18.672 537 H ARG 71 H ARG 71 -5.902 21.113 11.311 538 HA ARG 71 HA ARG 71 -4.559 23.488 11.720 539 HB2 ARG 71 2HB ARG 71 -5.242 22.235 9.523 540 HB3 ARG 71 3HB ARG 71 -6.635 23.307 9.569 541 HG2 ARG 71 2HG ARG 71 -3.966 24.546 9.888 542 HG3 ARG 71 3HG ARG 71 -4.392 23.924 8.293 543 HD2 ARG 71 2HD ARG 71 -6.159 25.780 9.873 544 HD3 ARG 71 3HD ARG 71 -4.957 26.344 8.712 545 HE ARG 71 HE ARG 71 -6.532 24.486 7.393 546 HH11 ARG 71 1HH1 ARG 71 -6.942 27.578 8.939 547 HH12 ARG 71 2HH1 ARG 71 -8.261 28.058 7.922 548 HH21 ARG 71 1HH2 ARG 71 -8.267 25.106 6.048 549 HH22 ARG 71 2HH2 ARG 71 -9.013 26.650 6.277 550 H GLU 72 H GLU 72 -7.984 22.811 12.000 551 HA GLU 72 HA GLU 72 -8.864 25.506 12.101 552 HB2 GLU 72 2HB GLU 72 -10.051 22.866 12.871 553 HB3 GLU 72 3HB GLU 72 -10.851 24.352 13.366 554 HG2 GLU 72 2HG GLU 72 -10.291 24.706 10.663 555 HG3 GLU 72 3HG GLU 72 -10.834 23.035 10.805 556 H LYS 73 H LYS 73 -8.576 23.103 14.726 557 HA LYS 73 HA LYS 73 -8.952 24.913 16.827 558 HB2 LYS 73 2HB LYS 73 -7.920 22.153 16.551 559 HB3 LYS 73 3HB LYS 73 -7.428 23.014 18.003 560 HG2 LYS 73 2HG LYS 73 -10.102 23.539 17.923 561 HG3 LYS 73 3HG LYS 73 -10.027 21.906 17.260 562 HD2 LYS 73 2HD LYS 73 -8.741 22.767 19.850 563 HD3 LYS 73 3HD LYS 73 -10.309 21.965 19.727 564 HE2 LYS 73 2HE LYS 73 -9.264 20.006 19.753 565 HE3 LYS 73 3HE LYS 73 -8.503 20.424 18.219 566 HZ1 LYS 73 1HZ LYS 73 -7.288 20.097 20.711 567 HZ2 LYS 73 2HZ LYS 73 -7.135 21.729 20.292 568 HZ3 LYS 73 3HZ LYS 73 -6.560 20.531 19.246 569 H PHE 74 H PHE 74 -6.175 24.222 14.884 570 HA PHE 74 HA PHE 74 -4.268 25.365 16.714 571 HB2 PHE 74 2HB PHE 74 -3.857 23.583 14.868 572 HB3 PHE 74 3HB PHE 74 -3.768 24.963 13.779 573 HD1 PHE 74 HD1 PHE 74 -1.778 26.124 13.524 574 HD2 PHE 74 HD2 PHE 74 -2.305 23.600 16.909 575 HE1 PHE 74 HE1 PHE 74 0.582 26.455 14.135 576 HE2 PHE 74 HE2 PHE 74 0.053 23.927 17.527 577 HZ PHE 74 HZ PHE 74 1.500 25.357 16.139 578 H GLY 75 H GLY 75 -6.240 26.471 14.060 579 HA2 GLY 75 2HA GLY 75 -6.840 28.780 13.872 580 HA3 GLY 75 3HA GLY 75 -5.287 29.204 14.575 581 H SER 76 H SER 76 -5.370 30.707 12.671 582 HA SER 76 HA SER 76 -5.255 29.928 10.025 583 HB2 SER 76 2HB SER 76 -4.208 32.030 9.562 584 HB3 SER 76 3HB SER 76 -5.296 32.293 10.924 585 HG SER 76 HG SER 76 -2.850 32.976 10.888 586 H SER 77 H SER 77 -3.654 29.288 8.618 587 HA SER 77 HA SER 77 -0.916 29.149 9.165 588 HB2 SER 77 2HB SER 77 -1.347 27.518 10.854 589 HB3 SER 77 3HB SER 77 -2.468 26.640 9.815 590 HG SER 77 HG SER 77 0.324 26.680 9.803 591 H LYS 78 H LYS 78 -0.901 29.847 7.019 592 HA LYS 78 HA LYS 78 -2.151 28.654 4.849 593 HB2 LYS 78 2HB LYS 78 -0.419 30.762 5.207 594 HB3 LYS 78 3HB LYS 78 0.547 29.637 4.260 595 HG2 LYS 78 2HG LYS 78 -0.458 30.859 2.609 596 HG3 LYS 78 3HG LYS 78 -1.588 29.513 2.763 597 HD2 LYS 78 2HD LYS 78 -3.046 31.282 2.801 598 HD3 LYS 78 3HD LYS 78 -2.724 31.103 4.528 599 HE2 LYS 78 2HE LYS 78 -0.703 32.776 3.583 600 HE3 LYS 78 3HE LYS 78 -2.165 33.324 2.764 601 HZ1 LYS 78 1HZ LYS 78 -3.184 33.205 5.112 602 HZ2 LYS 78 2HZ LYS 78 -2.193 34.518 4.718 603 HZ3 LYS 78 3HZ LYS 78 -1.580 33.245 5.650 604 H GLU 79 H GLU 79 0.643 27.637 6.637 605 HA GLU 79 HA GLU 79 1.752 25.896 4.696 606 HB2 GLU 79 2HB GLU 79 2.585 26.806 7.106 607 HB3 GLU 79 3HB GLU 79 2.075 25.181 7.547 608 HG2 GLU 79 2HG GLU 79 3.545 24.264 5.809 609 HG3 GLU 79 3HG GLU 79 4.078 25.897 5.416 610 H ILE 80 H ILE 80 -0.094 25.108 7.648 611 HA ILE 80 HA ILE 80 -0.530 22.412 6.930 612 HB ILE 80 HB ILE 80 -2.199 24.078 8.815 613 HG12 ILE 80 2HG1 ILE 80 0.304 22.464 9.358 614 HG13 ILE 80 3HG1 ILE 80 0.182 24.220 9.395 615 HG21 ILE 80 1HG2 ILE 80 -3.247 22.198 9.421 616 HG22 ILE 80 2HG2 ILE 80 -2.633 21.529 7.910 617 HG23 ILE 80 3HG2 ILE 80 -1.756 21.257 9.415 618 HD11 ILE 80 1HD1 ILE 80 -1.736 23.601 11.157 619 HD12 ILE 80 2HD1 ILE 80 -0.663 22.217 11.377 620 HD13 ILE 80 3HD1 ILE 80 -0.049 23.856 11.599 621 H ASP 81 H ASP 81 -2.587 25.296 6.689 622 HA ASP 81 HA ASP 81 -4.913 24.131 5.753 623 HB2 ASP 81 2HB ASP 81 -4.525 26.566 6.356 624 HB3 ASP 81 3HB ASP 81 -3.840 26.767 4.746 625 H MET 82 H MET 82 -2.055 25.147 3.923 626 HA MET 82 HA MET 82 -3.078 24.593 1.359 627 HB2 MET 82 2HB MET 82 -0.350 24.951 2.517 628 HB3 MET 82 3HB MET 82 -0.490 24.278 0.898 629 HG2 MET 82 2HG MET 82 -1.593 26.224 0.097 630 HG3 MET 82 3HG MET 82 -1.770 26.866 1.728 631 HE1 MET 82 1HE MET 82 -0.334 26.917 -1.334 632 HE2 MET 82 2HE MET 82 0.410 28.492 -1.063 633 HE3 MET 82 3HE MET 82 1.423 27.063 -1.265 634 H ALA 83 H ALA 83 -0.905 22.653 3.419 635 HA ALA 83 HA ALA 83 -0.678 20.415 1.823 636 HB1 ALA 83 1HB ALA 83 -0.417 20.961 4.706 637 HB2 ALA 83 2HB ALA 83 -0.663 19.272 4.263 638 HB3 ALA 83 3HB ALA 83 0.698 20.170 3.592 639 H ILE 84 H ILE 84 -3.295 21.319 3.999 640 HA ILE 84 HA ILE 84 -4.689 18.874 3.966 641 HB ILE 84 HB ILE 84 -5.759 21.674 4.330 642 HG12 ILE 84 2HG1 ILE 84 -5.430 19.724 6.560 643 HG13 ILE 84 3HG1 ILE 84 -3.979 20.496 5.928 644 HG21 ILE 84 1HG2 ILE 84 -7.539 20.245 5.635 645 HG22 ILE 84 2HG2 ILE 84 -7.688 20.521 3.902 646 HG23 ILE 84 3HG2 ILE 84 -7.040 18.994 4.497 647 HD11 ILE 84 1HD1 ILE 84 -5.873 21.514 7.768 648 HD12 ILE 84 2HD1 ILE 84 -4.404 22.277 7.158 649 HD13 ILE 84 3HD1 ILE 84 -5.934 22.506 6.311 650 H VAL 85 H VAL 85 -5.340 21.860 2.120 651 HA VAL 85 HA VAL 85 -7.382 20.929 0.518 652 HB VAL 85 HB VAL 85 -5.203 22.872 -0.260 653 HG11 VAL 85 1HG1 VAL 85 -7.057 23.745 -1.783 654 HG12 VAL 85 2HG1 VAL 85 -6.245 22.256 -2.269 655 HG13 VAL 85 3HG1 VAL 85 -7.842 22.187 -1.520 656 HG21 VAL 85 1HG2 VAL 85 -6.400 23.521 1.770 657 HG22 VAL 85 2HG2 VAL 85 -6.790 24.597 0.429 658 HG23 VAL 85 3HG2 VAL 85 -7.937 23.353 0.922 659 H THR 86 H THR 86 -3.923 20.442 0.190 660 HA THR 86 HA THR 86 -3.903 19.443 -2.443 661 HB THR 86 HB THR 86 -2.024 18.902 -0.139 662 HG1 THR 86 HG1 THR 86 -0.737 20.341 -1.685 663 HG21 THR 86 1HG2 THR 86 -0.512 18.419 -2.288 664 HG22 THR 86 2HG2 THR 86 -2.069 17.891 -2.927 665 HG23 THR 86 3HG2 THR 86 -1.418 17.152 -1.464 666 H LEU 87 H LEU 87 -3.822 17.674 0.656 667 HA LEU 87 HA LEU 87 -3.956 15.100 -0.325 668 HB2 LEU 87 2HB LEU 87 -3.938 16.206 2.141 669 HB3 LEU 87 3HB LEU 87 -5.600 15.624 2.063 670 HG LEU 87 HG LEU 87 -4.107 14.023 3.163 671 HD11 LEU 87 1HD1 LEU 87 -5.174 13.120 0.493 672 HD12 LEU 87 2HD1 LEU 87 -6.057 13.172 2.019 673 HD13 LEU 87 3HD1 LEU 87 -4.711 12.051 1.817 674 HD21 LEU 87 1HD2 LEU 87 -2.294 12.988 2.089 675 HD22 LEU 87 2HD2 LEU 87 -2.106 14.708 1.745 676 HD23 LEU 87 3HD2 LEU 87 -2.754 13.627 0.511 677 H LYS 88 H LYS 88 -6.586 17.384 0.244 678 HA LYS 88 HA LYS 88 -8.701 15.580 -0.293 679 HB2 LYS 88 2HB LYS 88 -8.601 18.595 -0.502 680 HB3 LYS 88 3HB LYS 88 -10.071 17.634 -0.579 681 HG2 LYS 88 2HG LYS 88 -10.160 17.371 1.641 682 HG3 LYS 88 3HG LYS 88 -8.420 17.108 1.778 683 HD2 LYS 88 2HD LYS 88 -8.091 19.213 2.427 684 HD3 LYS 88 3HD LYS 88 -8.980 19.835 1.035 685 HE2 LYS 88 2HE LYS 88 -11.094 19.418 2.254 686 HE3 LYS 88 3HE LYS 88 -10.153 18.912 3.657 687 HZ1 LYS 88 1HZ LYS 88 -9.452 21.502 2.568 688 HZ2 LYS 88 2HZ LYS 88 -9.641 21.018 4.178 689 HZ3 LYS 88 3HZ LYS 88 -10.999 21.411 3.247 690 H VAL 89 H VAL 89 -7.389 18.218 -2.312 691 HA VAL 89 HA VAL 89 -8.776 17.689 -4.634 692 HB VAL 89 HB VAL 89 -5.926 18.671 -4.415 693 HG11 VAL 89 1HG1 VAL 89 -7.793 18.363 -6.691 694 HG12 VAL 89 2HG1 VAL 89 -6.855 19.856 -6.622 695 HG13 VAL 89 3HG1 VAL 89 -6.031 18.297 -6.650 696 HG21 VAL 89 1HG2 VAL 89 -6.719 20.795 -4.094 697 HG22 VAL 89 2HG2 VAL 89 -8.262 20.459 -4.880 698 HG23 VAL 89 3HG2 VAL 89 -7.959 19.873 -3.244 699 H PHE 90 H PHE 90 -5.744 16.249 -3.512 700 HA PHE 90 HA PHE 90 -5.269 14.710 -5.844 701 HB2 PHE 90 2HB PHE 90 -3.484 15.231 -4.249 702 HB3 PHE 90 3HB PHE 90 -4.298 14.282 -3.011 703 HD1 PHE 90 HD1 PHE 90 -4.008 11.954 -2.875 704 HD2 PHE 90 HD2 PHE 90 -2.583 14.079 -6.277 705 HE1 PHE 90 HE1 PHE 90 -2.796 9.945 -3.619 706 HE2 PHE 90 HE2 PHE 90 -1.371 12.073 -7.026 707 HZ PHE 90 HZ PHE 90 -1.476 10.003 -5.697 708 H ALA 91 H ALA 91 -7.156 14.194 -2.957 709 HA ALA 91 HA ALA 91 -7.500 11.390 -3.242 710 HB1 ALA 91 1HB ALA 91 -9.040 11.531 -1.491 711 HB2 ALA 91 2HB ALA 91 -7.900 12.838 -1.168 712 HB3 ALA 91 3HB ALA 91 -9.472 13.196 -1.883 713 H VAL 92 H VAL 92 -9.631 14.138 -4.027 714 HA VAL 92 HA VAL 92 -11.599 12.517 -5.295 715 HB VAL 92 HB VAL 92 -11.145 15.486 -5.620 716 HG11 VAL 92 1HG1 VAL 92 -13.009 13.664 -6.799 717 HG12 VAL 92 2HG1 VAL 92 -13.871 14.802 -5.762 718 HG13 VAL 92 3HG1 VAL 92 -12.834 15.399 -7.058 719 HG21 VAL 92 1HG2 VAL 92 -11.400 14.752 -3.255 720 HG22 VAL 92 2HG2 VAL 92 -12.690 15.818 -3.813 721 HG23 VAL 92 3HG2 VAL 92 -12.975 14.082 -3.679 722 H ALA 93 H ALA 93 -9.060 14.677 -6.540 723 HA ALA 93 HA ALA 93 -9.599 14.102 -9.278 724 HB1 ALA 93 1HB ALA 93 -7.571 15.327 -9.752 725 HB2 ALA 93 2HB ALA 93 -8.504 16.177 -8.519 726 HB3 ALA 93 3HB ALA 93 -7.085 15.236 -8.059 727 H GLY 94 H GLY 94 -7.990 12.394 -6.816 728 HA2 GLY 94 2HA GLY 94 -6.410 10.844 -8.754 729 HA3 GLY 94 3HA GLY 94 -6.179 10.840 -7.012 730 H LEU 95 H LEU 95 -7.873 9.818 -5.700 731 HA LEU 95 HA LEU 95 -8.445 7.229 -6.560 732 HB2 LEU 95 2HB LEU 95 -9.501 8.931 -4.332 733 HB3 LEU 95 3HB LEU 95 -10.145 7.315 -4.615 734 HG LEU 95 HG LEU 95 -8.493 7.244 -2.859 735 HD11 LEU 95 1HD1 LEU 95 -7.916 5.245 -3.618 736 HD12 LEU 95 2HD1 LEU 95 -6.729 5.979 -4.694 737 HD13 LEU 95 3HD1 LEU 95 -8.384 5.728 -5.248 738 HD21 LEU 95 1HD2 LEU 95 -7.275 9.306 -3.881 739 HD22 LEU 95 2HD2 LEU 95 -6.341 8.090 -4.752 740 HD23 LEU 95 3HD2 LEU 95 -6.353 8.097 -2.988 741 H LEU 96 H LEU 96 -10.606 10.046 -6.317 742 HA LEU 96 HA LEU 96 -12.806 8.632 -7.516 743 HB2 LEU 96 2HB LEU 96 -12.539 10.894 -5.953 744 HB3 LEU 96 3HB LEU 96 -12.992 11.535 -7.531 745 HG LEU 96 HG LEU 96 -14.769 9.432 -7.064 746 HD11 LEU 96 1HD1 LEU 96 -14.305 9.266 -4.764 747 HD12 LEU 96 2HD1 LEU 96 -15.773 10.234 -4.879 748 HD13 LEU 96 3HD1 LEU 96 -14.224 11.017 -4.571 749 HD21 LEU 96 1HD2 LEU 96 -15.028 12.423 -6.825 750 HD22 LEU 96 2HD2 LEU 96 -16.401 11.317 -6.793 751 HD23 LEU 96 3HD2 LEU 96 -15.382 11.415 -8.228 752 H ASN 97 H ASN 97 -10.041 10.098 -8.709 753 HA ASN 97 HA ASN 97 -9.362 10.817 -10.763 754 HB2 ASN 97 2HB ASN 97 -11.521 8.862 -11.575 755 HB3 ASN 97 3HB ASN 97 -10.348 9.557 -12.689 756 HD21 ASN 97 1HD2 ASN 97 -11.017 6.857 -11.119 757 HD22 ASN 97 2HD2 ASN 97 -9.429 6.244 -10.821 758 H MET 98 H MET 98 -11.446 12.377 -9.442 759 HA MET 98 HA MET 98 -13.291 13.261 -11.454 760 HB2 MET 98 2HB MET 98 -13.479 13.366 -8.845 761 HB3 MET 98 3HB MET 98 -12.604 14.881 -9.028 762 HG2 MET 98 2HG MET 98 -14.770 14.782 -10.897 763 HG3 MET 98 3HG MET 98 -15.359 14.435 -9.273 764 HE1 MET 98 1HE MET 98 -16.483 17.860 -8.897 765 HE2 MET 98 2HE MET 98 -16.793 16.129 -9.036 766 HE3 MET 98 3HE MET 98 -15.999 16.771 -7.596 767 H THR 99 H THR 99 -13.389 15.534 -12.184 768 HA THR 99 HA THR 99 -10.717 16.434 -12.972 769 HB THR 99 HB THR 99 -12.191 16.130 -14.836 770 HG1 THR 99 HG1 THR 99 -10.866 18.162 -14.616 771 HG21 THR 99 1HG2 THR 99 -14.189 18.074 -14.551 772 HG22 THR 99 2HG2 THR 99 -14.165 17.191 -13.026 773 HG23 THR 99 3HG2 THR 99 -14.393 16.324 -14.544 774 H VAL 100 H VAL 100 -10.688 17.149 -10.561 775 HA VAL 100 HA VAL 100 -12.122 19.278 -9.562 776 HB VAL 100 HB VAL 100 -9.181 18.727 -9.143 777 HG11 VAL 100 1HG1 VAL 100 -9.796 20.983 -8.447 778 HG12 VAL 100 2HG1 VAL 100 -11.117 20.331 -7.475 779 HG13 VAL 100 3HG1 VAL 100 -9.445 19.964 -7.051 780 HG21 VAL 100 1HG2 VAL 100 -9.891 17.500 -7.166 781 HG22 VAL 100 2HG2 VAL 100 -11.580 17.841 -7.541 782 HG23 VAL 100 3HG2 VAL 100 -10.629 16.815 -8.615 783 H SER 101 H SER 101 -12.340 21.342 -10.109 784 HA SER 101 HA SER 101 -10.738 22.443 -12.247 785 HB2 SER 101 2HB SER 101 -13.328 22.961 -11.087 786 HB3 SER 101 3HB SER 101 -12.406 24.458 -11.203 787 HG SER 101 HG SER 101 -12.017 23.872 -13.432 788 H THR 102 H THR 102 -11.426 23.304 -8.863 789 HA THR 102 HA THR 102 -8.811 24.637 -8.752 790 HB THR 102 HB THR 102 -9.645 26.539 -7.612 791 HG1 THR 102 HG1 THR 102 -11.321 26.259 -6.362 792 HG21 THR 102 1HG2 THR 102 -9.992 26.536 -10.072 793 HG22 THR 102 2HG2 THR 102 -11.153 27.547 -9.210 794 HG23 THR 102 3HG2 THR 102 -11.637 25.959 -9.806 795 H ALA 103 H ALA 103 -7.841 24.704 -6.681 796 HA ALA 103 HA ALA 103 -8.056 22.428 -5.137 797 HB1 ALA 103 1HB ALA 103 -7.184 24.749 -3.601 798 HB2 ALA 103 2HB ALA 103 -6.312 23.276 -4.025 799 HB3 ALA 103 3HB ALA 103 -6.399 24.610 -5.175 800 H ALA 104 H ALA 104 -9.665 25.542 -4.716 801 HA ALA 104 HA ALA 104 -10.807 25.012 -2.191 802 HB1 ALA 104 1HB ALA 104 -12.306 26.751 -4.048 803 HB2 ALA 104 2HB ALA 104 -11.783 27.041 -2.388 804 HB3 ALA 104 3HB ALA 104 -10.636 27.209 -3.717 805 H ALA 105 H ALA 105 -11.929 24.423 -5.487 806 HA ALA 105 HA ALA 105 -14.559 23.659 -4.887 807 HB1 ALA 105 1HB ALA 105 -12.822 23.622 -7.177 808 HB2 ALA 105 2HB ALA 105 -13.762 22.132 -7.091 809 HB3 ALA 105 3HB ALA 105 -14.582 23.692 -7.106 810 H ALA 106 H ALA 106 -11.574 21.757 -5.092 811 HA ALA 106 HA ALA 106 -12.721 19.223 -4.727 812 HB1 ALA 106 1HB ALA 106 -10.610 18.471 -4.797 813 HB2 ALA 106 2HB ALA 106 -10.207 20.138 -5.210 814 HB3 ALA 106 3HB ALA 106 -10.065 19.584 -3.542 815 H GLU 107 H GLU 107 -11.189 21.382 -2.335 816 HA GLU 107 HA GLU 107 -11.757 19.777 -0.095 817 HB2 GLU 107 2HB GLU 107 -11.317 21.830 1.225 818 HB3 GLU 107 3HB GLU 107 -10.073 21.506 0.025 819 HG2 GLU 107 2HG GLU 107 -11.162 23.156 -1.471 820 HG3 GLU 107 3HG GLU 107 -12.280 23.541 -0.164 821 H ASN 108 H ASN 108 -13.525 22.463 -1.575 822 HA ASN 108 HA ASN 108 -15.527 22.766 0.335 823 HB2 ASN 108 2HB ASN 108 -15.363 23.306 -2.606 824 HB3 ASN 108 3HB ASN 108 -16.912 23.474 -1.784 825 HD21 ASN 108 1HD2 ASN 108 -15.480 25.558 -3.039 826 HD22 ASN 108 2HD2 ASN 108 -15.046 26.707 -1.825 827 H MET 109 H MET 109 -15.181 20.426 -2.254 828 HA MET 109 HA MET 109 -17.830 19.393 -2.090 829 HB2 MET 109 2HB MET 109 -15.877 19.145 -3.915 830 HB3 MET 109 3HB MET 109 -15.634 17.638 -3.041 831 HG2 MET 109 2HG MET 109 -18.198 18.542 -4.330 832 HG3 MET 109 3HG MET 109 -17.087 17.326 -4.958 833 HE1 MET 109 1HE MET 109 -16.109 15.702 -3.186 834 HE2 MET 109 2HE MET 109 -16.748 15.719 -1.541 835 HE3 MET 109 3HE MET 109 -17.234 14.448 -2.665 836 H TYR 110 H TYR 110 -14.695 18.249 -0.853 837 HA TYR 110 HA TYR 110 -15.497 15.916 0.370 838 HB2 TYR 110 2HB TYR 110 -13.239 17.712 0.556 839 HB3 TYR 110 3HB TYR 110 -13.639 17.052 2.138 840 HD1 TYR 110 HD1 TYR 110 -13.882 15.480 -1.233 841 HD2 TYR 110 HD2 TYR 110 -12.000 15.463 2.582 842 HE1 TYR 110 HE1 TYR 110 -12.726 13.389 -1.819 843 HE2 TYR 110 HE2 TYR 110 -10.837 13.373 2.007 844 HH TYR 110 HH TYR 110 -10.298 11.975 0.303 845 H SER 111 H SER 111 -15.756 19.225 1.561 846 HA SER 111 HA SER 111 -16.874 18.354 4.092 847 HB2 SER 111 2HB SER 111 -15.641 20.260 4.480 848 HB3 SER 111 3HB SER 111 -16.035 20.964 2.912 849 HG SER 111 HG SER 111 -18.007 21.579 3.685 850 H GLN 112 H GLN 112 -17.962 19.662 1.036 851 HA GLN 112 HA GLN 112 -20.538 20.471 1.751 852 HB2 GLN 112 2HB GLN 112 -19.670 21.072 -0.396 853 HB3 GLN 112 3HB GLN 112 -19.448 19.386 -0.845 854 HG2 GLN 112 2HG GLN 112 -21.377 20.405 -1.953 855 HG3 GLN 112 3HG GLN 112 -21.833 19.049 -0.923 856 HE21 GLN 112 1HE2 GLN 112 -21.880 22.515 -1.291 857 HE22 GLN 112 2HE2 GLN 112 -23.109 22.823 -0.118 858 H MET 113 H MET 113 -19.470 17.344 0.412 859 HA MET 113 HA MET 113 -22.060 16.170 1.021 860 HB2 MET 113 2HB MET 113 -19.611 15.214 -0.434 861 HB3 MET 113 3HB MET 113 -20.872 14.086 0.045 862 HG2 MET 113 2HG MET 113 -22.411 15.869 -1.160 863 HG3 MET 113 3HG MET 113 -20.908 16.217 -2.011 864 HE1 MET 113 1HE MET 113 -19.375 14.045 -2.205 865 HE2 MET 113 2HE MET 113 -19.951 12.493 -2.810 866 HE3 MET 113 3HE MET 113 -19.801 13.865 -3.908 867 H GLY 114 H GLY 114 -19.657 16.948 2.931 868 HA2 GLY 114 2HA GLY 114 -18.797 16.162 4.911 869 HA3 GLY 114 3HA GLY 114 -20.295 15.249 5.025 870 H LEU 115 H LEU 115 -17.882 14.829 2.503 871 HA LEU 115 HA LEU 115 -16.582 13.062 1.908 872 HB2 LEU 115 2HB LEU 115 -16.463 13.132 4.831 873 HB3 LEU 115 3HB LEU 115 -16.103 11.553 4.137 874 HG LEU 115 HG LEU 115 -14.045 12.717 4.487 875 HD11 LEU 115 1HD1 LEU 115 -14.241 13.182 1.592 876 HD12 LEU 115 2HD1 LEU 115 -14.750 11.585 2.139 877 HD13 LEU 115 3HD1 LEU 115 -13.129 12.167 2.511 878 HD21 LEU 115 1HD2 LEU 115 -13.606 14.896 3.945 879 HD22 LEU 115 2HD2 LEU 115 -15.331 15.007 4.295 880 HD23 LEU 115 3HD2 LEU 115 -14.774 14.920 2.623 881 H ASP 116 H ASP 116 -19.587 12.848 2.256 882 HA ASP 116 HA ASP 116 -20.355 10.302 3.059 883 HB2 ASP 116 2HB ASP 116 -22.038 11.934 2.593 884 HB3 ASP 116 3HB ASP 116 -21.487 12.120 0.930 885 H THR 117 H THR 117 -19.364 8.491 2.429 886 HA THR 117 HA THR 117 -17.958 8.065 0.076 887 HB THR 117 HB THR 117 -18.196 5.642 0.533 888 HG1 THR 117 HG1 THR 117 -19.395 5.131 2.516 889 HG21 THR 117 1HG2 THR 117 -17.159 5.665 2.774 890 HG22 THR 117 2HG2 THR 117 -17.636 7.354 2.958 891 HG23 THR 117 3HG2 THR 117 -16.478 6.895 1.709 892 H ARG 118 H ARG 118 -18.498 6.473 -1.657 893 HA ARG 118 HA ARG 118 -21.341 6.416 -2.355 894 HB2 ARG 118 2HB ARG 118 -20.071 8.394 -3.423 895 HB3 ARG 118 3HB ARG 118 -19.290 7.173 -4.418 896 HG2 ARG 118 2HG ARG 118 -21.629 6.417 -5.059 897 HG3 ARG 118 3HG ARG 118 -22.193 7.919 -4.323 898 HD2 ARG 118 2HD ARG 118 -21.939 8.354 -6.638 899 HD3 ARG 118 3HD ARG 118 -20.579 9.130 -5.828 900 HE ARG 118 HE ARG 118 -19.761 6.582 -6.592 901 HH11 ARG 118 1HH1 ARG 118 -20.765 9.565 -8.079 902 HH12 ARG 118 2HH1 ARG 118 -19.818 9.323 -9.510 903 HH21 ARG 118 1HH2 ARG 118 -18.510 6.251 -8.471 904 HH22 ARG 118 2HH2 ARG 118 -18.537 7.436 -9.732 905 HA PRO 119 HA PRO 119 -19.122 2.384 -3.064 906 HB2 PRO 119 2HB PRO 119 -20.950 0.867 -1.751 907 HB3 PRO 119 3HB PRO 119 -19.587 1.645 -0.940 908 HG2 PRO 119 2HG PRO 119 -22.441 2.529 -1.116 909 HG3 PRO 119 3HG PRO 119 -21.351 2.541 0.283 910 HD2 PRO 119 2HD PRO 119 -21.874 4.762 -1.175 911 HD3 PRO 119 3HD PRO 119 -20.307 4.483 -0.389 Start of MODEL 7 1 H1 GLY 2 H GLY 2 4.049 0.620 1.785 2 HA2 GLY 2 2HA GLY 2 4.737 -0.596 -0.779 3 HA3 GLY 2 3HA GLY 2 3.120 -0.404 -0.120 4 H ASN 3 H ASN 3 5.364 0.768 -2.330 5 HA ASN 3 HA ASN 3 4.043 3.376 -2.546 6 HB2 ASN 3 2HB ASN 3 6.650 2.934 -2.568 7 HB3 ASN 3 3HB ASN 3 6.356 2.597 -4.272 8 HD21 ASN 3 1HD2 ASN 3 6.504 4.256 -5.585 9 HD22 ASN 3 2HD2 ASN 3 6.315 5.918 -5.155 10 H GLY 4 H GLY 4 2.538 3.718 -4.041 11 HA2 GLY 4 2HA GLY 4 2.072 1.665 -6.065 12 HA3 GLY 4 3HA GLY 4 0.973 2.966 -5.631 13 H GLN 5 H GLN 5 3.455 1.930 -7.749 14 HA GLN 5 HA GLN 5 3.464 4.573 -9.051 15 HB2 GLN 5 2HB GLN 5 5.662 3.623 -8.114 16 HB3 GLN 5 3HB GLN 5 5.585 2.475 -9.444 17 HG2 GLN 5 2HG GLN 5 5.518 4.373 -11.025 18 HG3 GLN 5 3HG GLN 5 5.720 5.472 -9.662 19 HE21 GLN 5 1HE2 GLN 5 7.547 5.783 -11.466 20 HE22 GLN 5 2HE2 GLN 5 9.049 5.045 -11.041 21 H GLY 6 H GLY 6 2.626 4.708 -11.033 22 HA2 GLY 6 2HA GLY 6 2.866 3.066 -13.174 23 HA3 GLY 6 3HA GLY 6 1.546 2.335 -12.273 24 H ARG 7 H ARG 7 0.256 2.791 -14.177 25 HA ARG 7 HA ARG 7 -0.215 5.327 -15.221 26 HB2 ARG 7 2HB ARG 7 -2.410 4.385 -15.969 27 HB3 ARG 7 3HB ARG 7 -1.019 3.392 -16.383 28 HG2 ARG 7 2HG ARG 7 -1.510 1.979 -14.400 29 HG3 ARG 7 3HG ARG 7 -2.981 2.921 -14.152 30 HD2 ARG 7 2HD ARG 7 -2.517 1.763 -16.845 31 HD3 ARG 7 3HD ARG 7 -2.960 0.658 -15.544 32 HE ARG 7 HE ARG 7 -4.677 2.480 -16.882 33 HH11 ARG 7 1HH1 ARG 7 -4.045 1.045 -13.774 34 HH12 ARG 7 2HH1 ARG 7 -5.682 1.195 -13.226 35 HH21 ARG 7 1HH2 ARG 7 -6.835 2.685 -16.172 36 HH22 ARG 7 2HH2 ARG 7 -7.268 2.128 -14.591 37 H ASP 8 H ASP 8 -1.774 3.658 -12.518 38 HA ASP 8 HA ASP 8 -3.765 5.574 -12.006 39 HB2 ASP 8 2HB ASP 8 -3.643 3.229 -11.068 40 HB3 ASP 8 3HB ASP 8 -2.430 3.823 -9.937 41 H TRP 9 H TRP 9 -0.429 5.298 -10.905 42 HA TRP 9 HA TRP 9 -0.538 7.386 -8.997 43 HB2 TRP 9 2HB TRP 9 1.245 5.578 -9.217 44 HB3 TRP 9 3HB TRP 9 1.923 6.544 -10.525 45 HD1 TRP 9 HD1 TRP 9 3.988 7.746 -9.622 46 HE1 TRP 9 HE1 TRP 9 4.583 9.044 -7.481 47 HE3 TRP 9 HE3 TRP 9 -0.363 7.066 -7.025 48 HZ2 TRP 9 HZ2 TRP 9 3.369 9.692 -5.016 49 HZ3 TRP 9 HZ3 TRP 9 -0.565 8.057 -4.782 50 HH2 TRP 9 HH2 TRP 9 1.264 9.342 -3.800 51 H LYS 10 H LYS 10 0.914 7.351 -12.259 52 HA LYS 10 HA LYS 10 1.424 10.098 -12.396 53 HB2 LYS 10 2HB LYS 10 2.368 8.356 -13.921 54 HB3 LYS 10 3HB LYS 10 0.800 8.259 -14.713 55 HG2 LYS 10 2HG LYS 10 1.318 9.966 -16.020 56 HG3 LYS 10 3HG LYS 10 1.631 10.989 -14.615 57 HD2 LYS 10 2HD LYS 10 3.690 11.032 -15.618 58 HD3 LYS 10 3HD LYS 10 3.891 9.639 -14.552 59 HE2 LYS 10 2HE LYS 10 2.729 8.905 -17.107 60 HE3 LYS 10 3HE LYS 10 4.291 9.701 -17.295 61 HZ1 LYS 10 1HZ LYS 10 5.378 8.035 -16.207 62 HZ2 LYS 10 2HZ LYS 10 4.130 7.136 -16.912 63 HZ3 LYS 10 3HZ LYS 10 4.033 7.585 -15.283 64 H MET 11 H MET 11 -1.503 8.301 -12.839 65 HA MET 11 HA MET 11 -2.927 10.254 -14.336 66 HB2 MET 11 2HB MET 11 -3.608 7.771 -12.854 67 HB3 MET 11 3HB MET 11 -4.915 8.910 -13.148 68 HG2 MET 11 2HG MET 11 -3.363 8.492 -15.536 69 HG3 MET 11 3HG MET 11 -3.944 6.962 -14.880 70 HE1 MET 11 1HE MET 11 -6.461 6.176 -14.968 71 HE2 MET 11 2HE MET 11 -7.243 6.723 -16.450 72 HE3 MET 11 3HE MET 11 -5.572 6.158 -16.491 73 H ALA 12 H ALA 12 -2.751 9.484 -10.878 74 HA ALA 12 HA ALA 12 -4.624 11.407 -10.020 75 HB1 ALA 12 1HB ALA 12 -3.650 9.419 -8.729 76 HB2 ALA 12 2HB ALA 12 -2.308 10.498 -8.345 77 HB3 ALA 12 3HB ALA 12 -3.946 10.913 -7.841 78 H ILE 13 H ILE 13 -1.109 11.534 -10.417 79 HA ILE 13 HA ILE 13 -0.823 14.165 -9.367 80 HB ILE 13 HB ILE 13 1.022 12.624 -11.197 81 HG12 ILE 13 2HG1 ILE 13 0.556 11.514 -9.027 82 HG13 ILE 13 3HG1 ILE 13 2.234 12.027 -9.177 83 HG21 ILE 13 1HG2 ILE 13 2.736 14.198 -10.134 84 HG22 ILE 13 2HG2 ILE 13 1.678 14.861 -11.378 85 HG23 ILE 13 3HG2 ILE 13 1.351 15.189 -9.677 86 HD11 ILE 13 1HD1 ILE 13 1.715 14.009 -7.813 87 HD12 ILE 13 2HD1 ILE 13 0.067 13.409 -7.613 88 HD13 ILE 13 3HD1 ILE 13 1.425 12.492 -6.962 89 H LYS 14 H LYS 14 -0.775 12.888 -12.694 90 HA LYS 14 HA LYS 14 -0.496 15.305 -14.037 91 HB2 LYS 14 2HB LYS 14 -1.808 12.707 -14.803 92 HB3 LYS 14 3HB LYS 14 -1.758 14.072 -15.912 93 HG2 LYS 14 2HG LYS 14 0.807 13.276 -14.684 94 HG3 LYS 14 3HG LYS 14 0.103 12.160 -15.857 95 HD2 LYS 14 2HD LYS 14 0.631 13.489 -17.571 96 HD3 LYS 14 3HD LYS 14 -0.021 14.916 -16.760 97 HE2 LYS 14 2HE LYS 14 2.643 13.731 -16.030 98 HE3 LYS 14 3HE LYS 14 2.468 14.921 -17.318 99 HZ1 LYS 14 1HZ LYS 14 3.034 15.753 -14.991 100 HZ2 LYS 14 2HZ LYS 14 1.416 15.439 -14.609 101 HZ3 LYS 14 3HZ LYS 14 1.797 16.551 -15.825 102 H ARG 15 H ARG 15 -3.447 13.647 -12.979 103 HA ARG 15 HA ARG 15 -5.298 15.412 -14.118 104 HB2 ARG 15 2HB ARG 15 -5.376 13.491 -11.824 105 HB3 ARG 15 3HB ARG 15 -6.728 14.587 -12.074 106 HG2 ARG 15 2HG ARG 15 -5.843 13.146 -14.472 107 HG3 ARG 15 3HG ARG 15 -6.516 12.138 -13.190 108 HD2 ARG 15 2HD ARG 15 -8.594 13.084 -13.349 109 HD3 ARG 15 3HD ARG 15 -7.966 14.623 -13.937 110 HE ARG 15 HE ARG 15 -8.193 13.848 -16.074 111 HH11 ARG 15 1HH1 ARG 15 -8.260 11.144 -13.883 112 HH12 ARG 15 2HH1 ARG 15 -8.666 9.991 -15.111 113 HH21 ARG 15 1HH2 ARG 15 -8.728 12.340 -17.700 114 HH22 ARG 15 2HH2 ARG 15 -8.930 10.673 -17.282 115 H CYS 16 H CYS 16 -3.956 15.354 -10.819 116 HA CYS 16 HA CYS 16 -5.259 17.698 -9.946 117 HB2 CYS 16 2HB CYS 16 -4.252 15.988 -8.440 118 HB3 CYS 16 3HB CYS 16 -2.655 16.542 -8.930 119 HG CYS 16 HG CYS 16 -4.104 17.484 -6.350 120 H SER 17 H SER 17 -2.356 17.158 -11.775 121 HA SER 17 HA SER 17 -1.060 19.610 -11.339 122 HB2 SER 17 2HB SER 17 0.403 18.947 -12.978 123 HB3 SER 17 3HB SER 17 -0.355 17.391 -12.647 124 HG SER 17 HG SER 17 -1.873 18.038 -14.388 125 H ASN 18 H ASN 18 -3.824 18.772 -13.239 126 HA ASN 18 HA ASN 18 -3.744 21.306 -14.693 127 HB2 ASN 18 2HB ASN 18 -5.804 19.106 -14.918 128 HB3 ASN 18 3HB ASN 18 -5.523 20.426 -16.050 129 HD21 ASN 18 1HD2 ASN 18 -5.440 17.445 -16.296 130 HD22 ASN 18 2HD2 ASN 18 -3.905 17.110 -17.015 131 H VAL 19 H VAL 19 -4.230 21.131 -11.784 132 HA VAL 19 HA VAL 19 -6.947 22.272 -11.700 133 HB VAL 19 HB VAL 19 -5.439 21.073 -9.375 134 HG11 VAL 19 1HG1 VAL 19 -8.259 22.067 -9.729 135 HG12 VAL 19 2HG1 VAL 19 -7.752 21.057 -8.373 136 HG13 VAL 19 3HG1 VAL 19 -7.034 22.651 -8.603 137 HG21 VAL 19 1HG2 VAL 19 -5.901 19.310 -10.942 138 HG22 VAL 19 2HG2 VAL 19 -7.032 19.178 -9.595 139 HG23 VAL 19 3HG2 VAL 19 -7.566 19.856 -11.133 140 H ALA 20 H ALA 20 -7.026 24.390 -11.395 141 HA ALA 20 HA ALA 20 -4.787 26.007 -10.932 142 HB1 ALA 20 1HB ALA 20 -7.065 27.443 -10.103 143 HB2 ALA 20 2HB ALA 20 -6.245 27.511 -11.663 144 HB3 ALA 20 3HB ALA 20 -7.577 26.382 -11.416 145 H VAL 21 H VAL 21 -3.671 26.378 -9.142 146 HA VAL 21 HA VAL 21 -4.256 25.297 -6.645 147 HB VAL 21 HB VAL 21 -2.559 27.751 -7.102 148 HG11 VAL 21 1HG1 VAL 21 -2.929 27.311 -4.774 149 HG12 VAL 21 2HG1 VAL 21 -2.542 25.603 -4.987 150 HG13 VAL 21 3HG1 VAL 21 -1.283 26.823 -5.177 151 HG21 VAL 21 1HG2 VAL 21 -0.907 25.508 -7.011 152 HG22 VAL 21 2HG2 VAL 21 -2.225 25.059 -8.092 153 HG23 VAL 21 3HG2 VAL 21 -1.269 26.504 -8.421 154 H GLY 22 H GLY 22 -5.331 28.246 -8.112 155 HA2 GLY 22 2HA GLY 22 -7.483 28.782 -6.601 156 HA3 GLY 22 3HA GLY 22 -6.188 29.425 -5.602 157 H VAL 23 H VAL 23 -8.080 31.152 -6.388 158 HA VAL 23 HA VAL 23 -6.737 32.722 -8.491 159 HB VAL 23 HB VAL 23 -8.982 33.710 -9.007 160 HG11 VAL 23 1HG1 VAL 23 -7.789 31.616 -10.109 161 HG12 VAL 23 2HG1 VAL 23 -9.236 30.797 -9.517 162 HG13 VAL 23 3HG1 VAL 23 -9.384 32.159 -10.628 163 HG21 VAL 23 1HG2 VAL 23 -10.878 33.080 -7.979 164 HG22 VAL 23 2HG2 VAL 23 -10.398 31.385 -7.908 165 HG23 VAL 23 3HG2 VAL 23 -9.796 32.523 -6.702 166 H GLY 24 H GLY 24 -6.410 32.747 -5.555 167 HA2 GLY 24 2HA GLY 24 -7.602 35.311 -4.799 168 HA3 GLY 24 3HA GLY 24 -6.754 34.207 -3.728 169 H GLY 25 H GLY 25 -4.363 33.822 -4.913 170 HA2 GLY 25 2HA GLY 25 -3.204 36.523 -4.786 171 HA3 GLY 25 3HA GLY 25 -2.347 35.027 -4.444 172 H LYS 26 H LYS 26 -1.626 33.728 -6.175 173 HA LYS 26 HA LYS 26 -1.344 35.223 -8.691 174 HB2 LYS 26 2HB LYS 26 0.409 33.374 -7.177 175 HB3 LYS 26 3HB LYS 26 0.474 33.248 -8.930 176 HG2 LYS 26 2HG LYS 26 0.616 35.957 -8.509 177 HG3 LYS 26 3HG LYS 26 1.543 35.294 -7.161 178 HD2 LYS 26 2HD LYS 26 2.002 34.277 -9.935 179 HD3 LYS 26 3HD LYS 26 2.728 35.801 -9.424 180 HE2 LYS 26 2HE LYS 26 4.169 34.790 -7.996 181 HE3 LYS 26 3HE LYS 26 3.026 33.515 -7.575 182 HZ1 LYS 26 1HZ LYS 26 4.739 33.687 -9.987 183 HZ2 LYS 26 2HZ LYS 26 3.457 32.593 -9.851 184 HZ3 LYS 26 3HZ LYS 26 4.762 32.502 -8.779 185 H SER 27 H SER 27 -0.979 33.676 -10.633 186 HA SER 27 HA SER 27 -3.193 31.738 -10.609 187 HB2 SER 27 2HB SER 27 -3.077 32.032 -13.138 188 HB3 SER 27 3HB SER 27 -3.629 33.433 -12.221 189 HG SER 27 HG SER 27 -1.967 34.501 -12.920 190 H LYS 28 H LYS 28 -2.647 29.672 -10.577 191 HA LYS 28 HA LYS 28 -0.720 28.550 -12.330 192 HB2 LYS 28 2HB LYS 28 0.477 29.628 -10.145 193 HB3 LYS 28 3HB LYS 28 0.144 28.004 -9.559 194 HG2 LYS 28 2HG LYS 28 1.693 27.066 -10.884 195 HG3 LYS 28 3HG LYS 28 1.337 28.139 -12.239 196 HD2 LYS 28 2HD LYS 28 2.485 29.962 -10.846 197 HD3 LYS 28 3HD LYS 28 3.109 28.633 -9.865 198 HE2 LYS 28 2HE LYS 28 4.595 28.028 -11.431 199 HE3 LYS 28 3HE LYS 28 3.434 28.230 -12.742 200 HZ1 LYS 28 1HZ LYS 28 5.271 29.778 -12.949 201 HZ2 LYS 28 2HZ LYS 28 4.948 30.414 -11.415 202 HZ3 LYS 28 3HZ LYS 28 3.828 30.616 -12.668 203 H LYS 29 H LYS 29 -0.213 26.159 -11.442 204 HA LYS 29 HA LYS 29 -2.708 25.070 -10.328 205 HB2 LYS 29 2HB LYS 29 -2.344 23.114 -11.936 206 HB3 LYS 29 3HB LYS 29 -2.958 24.613 -12.621 207 HG2 LYS 29 2HG LYS 29 -0.021 24.185 -12.615 208 HG3 LYS 29 3HG LYS 29 -1.001 23.258 -13.755 209 HD2 LYS 29 2HD LYS 29 -1.440 25.062 -15.024 210 HD3 LYS 29 3HD LYS 29 -1.670 26.110 -13.622 211 HE2 LYS 29 2HE LYS 29 0.594 26.603 -13.464 212 HE3 LYS 29 3HE LYS 29 1.070 25.176 -14.382 213 HZ1 LYS 29 1HZ LYS 29 1.282 27.323 -15.597 214 HZ2 LYS 29 2HZ LYS 29 -0.404 27.461 -15.564 215 HZ3 LYS 29 3HZ LYS 29 0.322 26.172 -16.385 216 H PHE 30 H PHE 30 -2.484 22.921 -9.394 217 HA PHE 30 HA PHE 30 -0.197 22.720 -7.741 218 HB2 PHE 30 2HB PHE 30 -2.728 21.725 -7.621 219 HB3 PHE 30 3HB PHE 30 -1.827 20.283 -8.077 220 HD1 PHE 30 HD1 PHE 30 -1.282 23.154 -5.749 221 HD2 PHE 30 HD2 PHE 30 -1.314 18.935 -6.306 222 HE1 PHE 30 HE1 PHE 30 -0.605 22.843 -3.405 223 HE2 PHE 30 HE2 PHE 30 -0.638 18.616 -3.962 224 HZ PHE 30 HZ PHE 30 -0.284 20.572 -2.507 225 H GLY 31 H GLY 31 0.676 20.227 -7.572 226 HA2 GLY 31 2HA GLY 31 1.232 18.929 -10.034 227 HA3 GLY 31 3HA GLY 31 2.575 19.971 -9.585 228 H GLU 32 H GLU 32 3.642 17.783 -9.629 229 HA GLU 32 HA GLU 32 3.075 15.933 -7.532 230 HB2 GLU 32 2HB GLU 32 4.323 15.580 -9.805 231 HB3 GLU 32 3HB GLU 32 5.739 16.084 -8.893 232 HG2 GLU 32 2HG GLU 32 5.365 14.272 -7.302 233 HG3 GLU 32 3HG GLU 32 3.943 13.766 -8.213 234 H GLY 33 H GLY 33 5.235 18.669 -7.911 235 HA2 GLY 33 2HA GLY 33 6.905 18.189 -5.693 236 HA3 GLY 33 3HA GLY 33 6.604 19.759 -6.424 237 H ASN 34 H ASN 34 4.051 20.314 -5.948 238 HA ASN 34 HA ASN 34 4.023 21.005 -3.211 239 HB2 ASN 34 2HB ASN 34 1.667 21.005 -5.106 240 HB3 ASN 34 3HB ASN 34 1.851 21.966 -3.641 241 HD21 ASN 34 1HD2 ASN 34 3.815 23.405 -3.634 242 HD22 ASN 34 2HD2 ASN 34 4.166 24.244 -5.104 243 H PHE 35 H PHE 35 2.663 18.341 -5.010 244 HA PHE 35 HA PHE 35 0.765 17.437 -3.166 245 HB2 PHE 35 2HB PHE 35 0.878 16.565 -5.441 246 HB3 PHE 35 3HB PHE 35 2.450 15.846 -5.109 247 HD1 PHE 35 HD1 PHE 35 2.170 13.560 -5.262 248 HD2 PHE 35 HD2 PHE 35 -0.677 15.864 -3.090 249 HE1 PHE 35 HE1 PHE 35 1.065 11.491 -4.522 250 HE2 PHE 35 HE2 PHE 35 -1.785 13.798 -2.345 251 HZ PHE 35 HZ PHE 35 -0.914 11.607 -3.060 252 H ARG 36 H ARG 36 4.150 16.407 -3.587 253 HA ARG 36 HA ARG 36 4.200 14.656 -1.386 254 HB2 ARG 36 2HB ARG 36 6.532 16.176 -2.563 255 HB3 ARG 36 3HB ARG 36 6.613 14.699 -1.613 256 HG2 ARG 36 2HG ARG 36 5.737 13.398 -3.344 257 HG3 ARG 36 3HG ARG 36 5.124 14.809 -4.211 258 HD2 ARG 36 2HD ARG 36 7.010 14.230 -5.431 259 HD3 ARG 36 3HD ARG 36 7.605 15.503 -4.366 260 HE ARG 36 HE ARG 36 9.008 13.976 -3.422 261 HH11 ARG 36 1HH1 ARG 36 6.417 12.272 -5.003 262 HH12 ARG 36 2HH1 ARG 36 7.095 10.704 -4.712 263 HH21 ARG 36 1HH2 ARG 36 9.911 11.918 -3.033 264 HH22 ARG 36 2HH2 ARG 36 9.083 10.504 -3.590 265 H TRP 37 H TRP 37 5.204 18.050 -1.695 266 HA TRP 37 HA TRP 37 6.248 18.477 0.817 267 HB2 TRP 37 2HB TRP 37 6.441 20.251 -0.716 268 HB3 TRP 37 3HB TRP 37 4.711 20.274 -1.044 269 HD1 TRP 37 HD1 TRP 37 7.322 21.696 1.290 270 HE1 TRP 37 HE1 TRP 37 6.217 23.408 2.861 271 HE3 TRP 37 HE3 TRP 37 2.420 20.772 0.175 272 HZ2 TRP 37 HZ2 TRP 37 3.611 24.256 3.538 273 HZ3 TRP 37 HZ3 TRP 37 0.682 22.076 1.329 274 HH2 TRP 37 HH2 TRP 37 1.266 23.781 2.976 275 H ALA 38 H ALA 38 2.866 18.389 -0.170 276 HA ALA 38 HA ALA 38 1.880 19.189 2.410 277 HB1 ALA 38 1HB ALA 38 0.183 19.715 1.067 278 HB2 ALA 38 2HB ALA 38 0.765 18.653 -0.215 279 HB3 ALA 38 3HB ALA 38 -0.233 18.002 1.086 280 H ILE 39 H ILE 39 2.328 16.152 0.674 281 HA ILE 39 HA ILE 39 0.928 14.446 2.376 282 HB ILE 39 HB ILE 39 3.392 13.929 0.716 283 HG12 ILE 39 2HG1 ILE 39 0.668 12.843 0.142 284 HG13 ILE 39 3HG1 ILE 39 0.993 14.535 -0.219 285 HG21 ILE 39 1HG2 ILE 39 1.731 12.065 2.377 286 HG22 ILE 39 2HG2 ILE 39 2.616 11.496 0.962 287 HG23 ILE 39 3HG2 ILE 39 3.486 12.227 2.312 288 HD11 ILE 39 1HD1 ILE 39 3.128 12.944 -1.232 289 HD12 ILE 39 2HD1 ILE 39 1.588 12.279 -1.780 290 HD13 ILE 39 3HD1 ILE 39 1.986 13.965 -2.104 291 H ARG 40 H ARG 40 4.377 15.333 2.446 292 HA ARG 40 HA ARG 40 4.918 13.883 4.835 293 HB2 ARG 40 2HB ARG 40 6.391 15.774 3.088 294 HB3 ARG 40 3HB ARG 40 6.950 15.643 4.749 295 HG2 ARG 40 2HG ARG 40 7.358 13.304 4.504 296 HG3 ARG 40 3HG ARG 40 6.581 13.285 2.919 297 HD2 ARG 40 2HD ARG 40 8.326 14.716 2.022 298 HD3 ARG 40 3HD ARG 40 9.082 14.822 3.612 299 HE ARG 40 HE ARG 40 8.883 12.122 2.901 300 HH11 ARG 40 1HH1 ARG 40 10.570 15.008 1.929 301 HH12 ARG 40 2HH1 ARG 40 11.955 14.155 1.332 302 HH21 ARG 40 1HH2 ARG 40 10.701 10.987 2.118 303 HH22 ARG 40 2HH2 ARG 40 12.027 11.867 1.439 304 H MET 41 H MET 41 4.368 17.321 4.129 305 HA MET 41 HA MET 41 4.769 18.348 6.679 306 HB2 MET 41 2HB MET 41 4.511 19.806 4.770 307 HB3 MET 41 3HB MET 41 2.863 19.250 4.515 308 HG2 MET 41 2HG MET 41 2.911 21.449 5.545 309 HG3 MET 41 3HG MET 41 2.177 20.256 6.613 310 HE1 MET 41 1HE MET 41 4.893 22.421 5.628 311 HE2 MET 41 2HE MET 41 5.536 23.017 7.159 312 HE3 MET 41 3HE MET 41 6.292 21.637 6.362 313 H ALA 42 H ALA 42 1.797 17.066 5.222 314 HA ALA 42 HA ALA 42 0.198 17.519 7.542 315 HB1 ALA 42 1HB ALA 42 -1.346 15.845 6.308 316 HB2 ALA 42 2HB ALA 42 -1.047 17.429 5.591 317 HB3 ALA 42 3HB ALA 42 -0.190 16.011 4.987 318 H ASN 43 H ASN 43 2.051 14.801 6.291 319 HA ASN 43 HA ASN 43 1.060 12.830 8.045 320 HB2 ASN 43 2HB ASN 43 3.469 13.121 6.314 321 HB3 ASN 43 3HB ASN 43 3.495 11.868 7.551 322 HD21 ASN 43 1HD2 ASN 43 3.701 10.856 5.212 323 HD22 ASN 43 2HD2 ASN 43 2.219 10.208 4.604 324 H VAL 44 H VAL 44 4.104 14.684 8.198 325 HA VAL 44 HA VAL 44 4.906 13.777 10.721 326 HB VAL 44 HB VAL 44 5.518 16.443 9.438 327 HG11 VAL 44 1HG1 VAL 44 7.546 16.369 10.858 328 HG12 VAL 44 2HG1 VAL 44 6.051 16.488 11.787 329 HG13 VAL 44 3HG1 VAL 44 6.892 14.942 11.662 330 HG21 VAL 44 1HG2 VAL 44 6.315 13.756 8.779 331 HG22 VAL 44 2HG2 VAL 44 6.656 15.264 7.933 332 HG23 VAL 44 3HG2 VAL 44 7.714 14.726 9.237 333 H SER 45 H SER 45 2.928 16.552 9.780 334 HA SER 45 HA SER 45 2.737 17.763 12.302 335 HB2 SER 45 2HB SER 45 0.987 17.805 9.855 336 HB3 SER 45 3HB SER 45 0.508 18.656 11.323 337 HG SER 45 HG SER 45 2.819 19.519 11.110 338 H THR 46 H THR 46 1.195 14.965 10.975 339 HA THR 46 HA THR 46 -0.744 14.870 13.169 340 HB THR 46 HB THR 46 -1.541 12.778 11.890 341 HG1 THR 46 HG1 THR 46 -0.937 12.803 9.670 342 HG21 THR 46 1HG2 THR 46 -1.779 15.600 10.887 343 HG22 THR 46 2HG2 THR 46 -2.940 14.658 11.822 344 HG23 THR 46 3HG2 THR 46 -2.655 14.275 10.124 345 H GLY 47 H GLY 47 2.196 14.381 13.444 346 HA2 GLY 47 2HA GLY 47 3.597 12.930 14.539 347 HA3 GLY 47 3HA GLY 47 2.140 12.344 15.331 348 H ARG 48 H ARG 48 2.442 12.119 11.882 349 HA ARG 48 HA ARG 48 2.627 9.199 12.144 350 HB2 ARG 48 2HB ARG 48 0.950 10.892 10.605 351 HB3 ARG 48 3HB ARG 48 1.987 10.025 9.480 352 HG2 ARG 48 2HG ARG 48 1.202 7.932 10.200 353 HG3 ARG 48 3HG ARG 48 0.463 8.619 11.648 354 HD2 ARG 48 2HD ARG 48 -1.269 9.625 10.412 355 HD3 ARG 48 3HD ARG 48 -0.417 9.402 8.885 356 HE ARG 48 HE ARG 48 -0.934 6.895 10.066 357 HH11 ARG 48 1HH1 ARG 48 -2.558 9.527 8.467 358 HH12 ARG 48 2HH1 ARG 48 -3.828 8.533 7.835 359 HH21 ARG 48 1HH2 ARG 48 -2.601 5.574 9.238 360 HH22 ARG 48 2HH2 ARG 48 -3.851 6.284 8.274 361 H GLU 49 H GLU 49 4.091 8.008 10.933 362 HA GLU 49 HA GLU 49 6.592 9.200 10.440 363 HB2 GLU 49 2HB GLU 49 5.390 6.521 10.041 364 HB3 GLU 49 3HB GLU 49 6.812 6.891 9.077 365 HG2 GLU 49 2HG GLU 49 8.193 6.774 10.833 366 HG3 GLU 49 3HG GLU 49 7.054 7.576 11.914 367 HA PRO 50 HA PRO 50 6.426 10.648 6.303 368 HB2 PRO 50 2HB PRO 50 8.849 9.911 5.325 369 HB3 PRO 50 3HB PRO 50 8.645 11.208 6.510 370 HG2 PRO 50 2HG PRO 50 9.460 8.360 6.941 371 HG3 PRO 50 3HG PRO 50 10.126 9.836 7.663 372 HD2 PRO 50 2HD PRO 50 8.383 8.233 8.975 373 HD3 PRO 50 3HD PRO 50 8.433 9.990 9.219 374 H GLY 51 H GLY 51 6.862 7.283 6.906 375 HA2 GLY 51 2HA GLY 51 6.661 6.520 4.111 376 HA3 GLY 51 3HA GLY 51 6.772 5.431 5.486 377 H ASP 52 H ASP 52 4.476 8.010 4.614 378 HA ASP 52 HA ASP 52 2.321 6.009 4.819 379 HB2 ASP 52 2HB ASP 52 2.676 8.537 6.204 380 HB3 ASP 52 3HB ASP 52 1.157 8.495 5.315 381 H ILE 53 H ILE 53 2.123 5.598 2.644 382 HA ILE 53 HA ILE 53 1.237 7.873 0.994 383 HB ILE 53 HB ILE 53 3.384 7.183 0.161 384 HG12 ILE 53 2HG1 ILE 53 1.925 5.771 -1.912 385 HG13 ILE 53 3HG1 ILE 53 1.030 7.178 -1.349 386 HG21 ILE 53 1HG2 ILE 53 3.131 4.613 -0.805 387 HG22 ILE 53 2HG2 ILE 53 4.039 5.104 0.624 388 HG23 ILE 53 3HG2 ILE 53 2.379 4.531 0.788 389 HD11 ILE 53 1HD1 ILE 53 2.924 7.224 -3.275 390 HD12 ILE 53 2HD1 ILE 53 2.460 8.615 -2.294 391 HD13 ILE 53 3HD1 ILE 53 3.874 7.657 -1.854 392 HA PRO 54 HA PRO 54 -2.193 4.779 1.251 393 HB2 PRO 54 2HB PRO 54 -4.151 6.644 1.488 394 HB3 PRO 54 3HB PRO 54 -3.248 6.019 2.872 395 HG2 PRO 54 2HG PRO 54 -2.864 8.571 1.354 396 HG3 PRO 54 3HG PRO 54 -2.827 8.294 3.106 397 HD2 PRO 54 2HD PRO 54 -0.576 8.527 1.619 398 HD3 PRO 54 3HD PRO 54 -0.666 7.493 3.060 399 H GLU 55 H GLU 55 -4.487 5.217 0.023 400 HA GLU 55 HA GLU 55 -4.488 6.703 -2.348 401 HB2 GLU 55 2HB GLU 55 -2.733 4.606 -2.578 402 HB3 GLU 55 3HB GLU 55 -4.210 3.921 -3.242 403 HG2 GLU 55 2HG GLU 55 -4.367 5.737 -4.838 404 HG3 GLU 55 3HG GLU 55 -2.933 6.493 -4.146 405 H THR 56 H THR 56 -6.255 5.958 -0.233 406 HA THR 56 HA THR 56 -8.428 4.796 -1.833 407 HB THR 56 HB THR 56 -9.245 3.485 0.013 408 HG1 THR 56 HG1 THR 56 -8.333 3.562 2.020 409 HG21 THR 56 1HG2 THR 56 -6.297 3.090 -0.488 410 HG22 THR 56 2HG2 THR 56 -7.644 2.315 -1.321 411 HG23 THR 56 3HG2 THR 56 -7.307 1.925 0.366 412 H LEU 57 H LEU 57 -10.452 5.657 -1.478 413 HA LEU 57 HA LEU 57 -10.685 8.292 -0.695 414 HB2 LEU 57 2HB LEU 57 -12.420 6.216 -1.561 415 HB3 LEU 57 3HB LEU 57 -13.167 7.010 -0.176 416 HG LEU 57 HG LEU 57 -13.999 8.050 -2.150 417 HD11 LEU 57 1HD1 LEU 57 -13.578 10.277 -1.661 418 HD12 LEU 57 2HD1 LEU 57 -11.891 9.973 -1.247 419 HD13 LEU 57 3HD1 LEU 57 -13.173 9.460 -0.151 420 HD21 LEU 57 1HD2 LEU 57 -12.800 8.598 -3.999 421 HD22 LEU 57 2HD2 LEU 57 -11.777 7.291 -3.401 422 HD23 LEU 57 3HD2 LEU 57 -11.340 8.970 -3.083 423 H ASP 58 H ASP 58 -11.008 5.376 1.233 424 HA ASP 58 HA ASP 58 -12.045 6.674 3.551 425 HB2 ASP 58 2HB ASP 58 -11.393 3.992 2.747 426 HB3 ASP 58 3HB ASP 58 -10.706 4.315 4.336 427 H GLN 59 H GLN 59 -8.827 5.863 2.395 428 HA GLN 59 HA GLN 59 -7.469 6.487 4.814 429 HB2 GLN 59 2HB GLN 59 -6.655 6.028 1.975 430 HB3 GLN 59 3HB GLN 59 -5.496 6.752 3.083 431 HG2 GLN 59 2HG GLN 59 -5.711 4.832 4.572 432 HG3 GLN 59 3HG GLN 59 -6.878 4.106 3.468 433 HE21 GLN 59 1HE2 GLN 59 -5.902 4.276 1.068 434 HE22 GLN 59 2HE2 GLN 59 -4.339 3.553 0.927 435 H LEU 60 H LEU 60 -7.760 8.266 1.736 436 HA LEU 60 HA LEU 60 -6.453 10.588 2.533 437 HB2 LEU 60 2HB LEU 60 -8.499 9.949 0.467 438 HB3 LEU 60 3HB LEU 60 -8.124 11.640 0.790 439 HG LEU 60 HG LEU 60 -6.899 10.646 -1.144 440 HD11 LEU 60 1HD1 LEU 60 -4.581 11.266 0.302 441 HD12 LEU 60 2HD1 LEU 60 -5.878 12.215 1.029 442 HD13 LEU 60 3HD1 LEU 60 -5.552 12.348 -0.699 443 HD21 LEU 60 1HD2 LEU 60 -6.592 8.407 -0.081 444 HD22 LEU 60 2HD2 LEU 60 -5.369 9.131 0.965 445 HD23 LEU 60 3HD2 LEU 60 -5.125 9.090 -0.783 446 H ARG 61 H ARG 61 -9.864 9.694 2.824 447 HA ARG 61 HA ARG 61 -10.837 12.136 3.778 448 HB2 ARG 61 2HB ARG 61 -12.268 10.264 3.030 449 HB3 ARG 61 3HB ARG 61 -11.808 9.356 4.465 450 HG2 ARG 61 2HG ARG 61 -12.714 11.621 5.606 451 HG3 ARG 61 3HG ARG 61 -13.716 11.571 4.155 452 HD2 ARG 61 2HD ARG 61 -15.007 10.030 5.093 453 HD3 ARG 61 3HD ARG 61 -13.619 8.953 5.244 454 HE ARG 61 HE ARG 61 -13.534 10.806 7.339 455 HH11 ARG 61 1HH1 ARG 61 -15.473 8.133 6.236 456 HH12 ARG 61 2HH1 ARG 61 -15.993 7.685 7.826 457 HH21 ARG 61 1HH2 ARG 61 -14.211 10.225 9.438 458 HH22 ARG 61 2HH2 ARG 61 -15.275 8.876 9.648 459 H LEU 62 H LEU 62 -9.715 9.283 5.590 460 HA LEU 62 HA LEU 62 -10.110 10.222 8.162 461 HB2 LEU 62 2HB LEU 62 -8.840 8.040 6.954 462 HB3 LEU 62 3HB LEU 62 -7.620 8.784 7.985 463 HG LEU 62 HG LEU 62 -8.710 7.034 9.208 464 HD11 LEU 62 1HD1 LEU 62 -8.465 9.620 10.089 465 HD12 LEU 62 2HD1 LEU 62 -8.789 8.212 11.100 466 HD13 LEU 62 3HD1 LEU 62 -10.124 9.212 10.527 467 HD21 LEU 62 1HD2 LEU 62 -10.784 6.975 7.875 468 HD22 LEU 62 2HD2 LEU 62 -11.311 8.462 8.665 469 HD23 LEU 62 3HD2 LEU 62 -11.094 6.989 9.611 470 H VAL 63 H VAL 63 -7.348 10.737 6.009 471 HA VAL 63 HA VAL 63 -5.662 12.053 7.807 472 HB VAL 63 HB VAL 63 -5.874 12.656 4.857 473 HG11 VAL 63 1HG1 VAL 63 -3.921 13.256 6.991 474 HG12 VAL 63 2HG1 VAL 63 -3.259 12.772 5.428 475 HG13 VAL 63 3HG1 VAL 63 -4.333 14.167 5.539 476 HG21 VAL 63 1HG2 VAL 63 -5.175 10.202 6.195 477 HG22 VAL 63 2HG2 VAL 63 -5.339 10.531 4.470 478 HG23 VAL 63 3HG2 VAL 63 -3.803 10.832 5.283 479 H ILE 64 H ILE 64 -8.030 13.412 5.522 480 HA ILE 64 HA ILE 64 -7.645 16.104 6.084 481 HB ILE 64 HB ILE 64 -10.230 14.721 5.355 482 HG12 ILE 64 2HG1 ILE 64 -8.484 14.322 3.709 483 HG13 ILE 64 3HG1 ILE 64 -9.663 15.455 3.057 484 HG21 ILE 64 1HG2 ILE 64 -9.461 17.632 5.191 485 HG22 ILE 64 2HG2 ILE 64 -10.938 16.927 4.536 486 HG23 ILE 64 3HG2 ILE 64 -10.657 16.924 6.277 487 HD11 ILE 64 1HD1 ILE 64 -6.914 16.064 4.103 488 HD12 ILE 64 2HD1 ILE 64 -7.511 16.230 2.451 489 HD13 ILE 64 3HD1 ILE 64 -8.110 17.301 3.717 490 H CYS 65 H CYS 65 -9.581 13.699 7.780 491 HA CYS 65 HA CYS 65 -10.977 15.440 9.484 492 HB2 CYS 65 2HB CYS 65 -11.301 12.901 9.061 493 HB3 CYS 65 3HB CYS 65 -10.105 12.693 10.335 494 HG CYS 65 HG CYS 65 -13.330 13.339 10.579 495 H ASP 66 H ASP 66 -8.007 13.567 10.096 496 HA ASP 66 HA ASP 66 -7.498 14.608 12.648 497 HB2 ASP 66 2HB ASP 66 -5.324 13.758 10.744 498 HB3 ASP 66 3HB ASP 66 -5.372 13.596 12.498 499 H LEU 67 H LEU 67 -6.114 15.551 9.502 500 HA LEU 67 HA LEU 67 -4.508 17.633 10.375 501 HB2 LEU 67 2HB LEU 67 -6.028 17.344 7.790 502 HB3 LEU 67 3HB LEU 67 -4.782 18.557 8.076 503 HG LEU 67 HG LEU 67 -4.376 15.565 8.050 504 HD11 LEU 67 1HD1 LEU 67 -3.316 15.833 5.974 505 HD12 LEU 67 2HD1 LEU 67 -3.275 17.589 6.125 506 HD13 LEU 67 3HD1 LEU 67 -4.810 16.765 5.851 507 HD21 LEU 67 1HD2 LEU 67 -2.378 17.804 8.367 508 HD22 LEU 67 2HD2 LEU 67 -2.005 16.083 8.246 509 HD23 LEU 67 3HD2 LEU 67 -2.896 16.697 9.640 510 H GLN 68 H GLN 68 -7.955 17.605 9.656 511 HA GLN 68 HA GLN 68 -8.416 20.368 9.719 512 HB2 GLN 68 2HB GLN 68 -10.064 18.739 8.900 513 HB3 GLN 68 3HB GLN 68 -10.274 18.127 10.535 514 HG2 GLN 68 2HG GLN 68 -10.699 21.021 10.148 515 HG3 GLN 68 3HG GLN 68 -11.886 19.940 9.421 516 HE21 GLN 68 1HE2 GLN 68 -11.351 21.738 12.032 517 HE22 GLN 68 2HE2 GLN 68 -12.215 20.839 13.227 518 H GLU 69 H GLU 69 -8.748 17.953 12.319 519 HA GLU 69 HA GLU 69 -9.523 19.643 14.366 520 HB2 GLU 69 2HB GLU 69 -9.185 17.045 14.287 521 HB3 GLU 69 3HB GLU 69 -7.589 17.425 14.917 522 HG2 GLU 69 2HG GLU 69 -8.716 17.097 16.862 523 HG3 GLU 69 3HG GLU 69 -8.964 18.829 16.657 524 H ARG 70 H ARG 70 -6.251 18.855 13.261 525 HA ARG 70 HA ARG 70 -4.933 20.405 15.253 526 HB2 ARG 70 2HB ARG 70 -4.076 18.487 13.613 527 HB3 ARG 70 3HB ARG 70 -3.620 19.875 12.634 528 HG2 ARG 70 2HG ARG 70 -1.768 20.055 13.826 529 HG3 ARG 70 3HG ARG 70 -2.750 20.440 15.241 530 HD2 ARG 70 2HD ARG 70 -2.526 17.581 14.524 531 HD3 ARG 70 3HD ARG 70 -1.064 18.355 15.134 532 HE ARG 70 HE ARG 70 -3.383 18.867 16.747 533 HH11 ARG 70 1HH1 ARG 70 -0.786 16.636 16.111 534 HH12 ARG 70 2HH1 ARG 70 -0.814 15.948 17.702 535 HH21 ARG 70 1HH2 ARG 70 -3.429 17.969 18.844 536 HH22 ARG 70 2HH2 ARG 70 -2.318 16.706 19.254 537 H ARG 71 H ARG 71 -6.015 21.027 11.959 538 HA ARG 71 HA ARG 71 -4.727 23.444 11.484 539 HB2 ARG 71 2HB ARG 71 -5.991 22.202 9.775 540 HB3 ARG 71 3HB ARG 71 -7.494 22.616 10.590 541 HG2 ARG 71 2HG ARG 71 -7.094 24.980 10.145 542 HG3 ARG 71 3HG ARG 71 -5.576 24.573 9.341 543 HD2 ARG 71 2HD ARG 71 -6.964 24.722 7.529 544 HD3 ARG 71 3HD ARG 71 -7.138 23.010 7.913 545 HE ARG 71 HE ARG 71 -9.324 23.396 8.480 546 HH11 ARG 71 1HH1 ARG 71 -7.633 26.434 8.302 547 HH12 ARG 71 2HH1 ARG 71 -9.068 27.391 8.467 548 HH21 ARG 71 1HH2 ARG 71 -11.220 24.645 8.696 549 HH22 ARG 71 2HH2 ARG 71 -11.107 26.372 8.690 550 H GLU 72 H GLU 72 -7.662 22.755 13.297 551 HA GLU 72 HA GLU 72 -8.341 25.518 13.676 552 HB2 GLU 72 2HB GLU 72 -9.771 23.232 13.842 553 HB3 GLU 72 3HB GLU 72 -9.418 23.491 15.545 554 HG2 GLU 72 2HG GLU 72 -10.266 25.956 14.400 555 HG3 GLU 72 3HG GLU 72 -11.419 24.694 13.969 556 H LYS 73 H LYS 73 -7.276 22.959 15.923 557 HA LYS 73 HA LYS 73 -6.878 24.519 18.164 558 HB2 LYS 73 2HB LYS 73 -6.263 21.879 17.360 559 HB3 LYS 73 3HB LYS 73 -4.776 22.567 17.999 560 HG2 LYS 73 2HG LYS 73 -6.101 23.251 20.029 561 HG3 LYS 73 3HG LYS 73 -7.421 22.265 19.395 562 HD2 LYS 73 2HD LYS 73 -6.488 20.492 20.360 563 HD3 LYS 73 3HD LYS 73 -5.116 20.665 19.263 564 HE2 LYS 73 2HE LYS 73 -5.376 22.119 21.891 565 HE3 LYS 73 3HE LYS 73 -4.509 20.597 21.688 566 HZ1 LYS 73 1HZ LYS 73 -2.798 22.023 21.388 567 HZ2 LYS 73 2HZ LYS 73 -3.776 23.283 20.823 568 HZ3 LYS 73 3HZ LYS 73 -3.355 22.012 19.790 569 H PHE 74 H PHE 74 -4.707 23.977 15.436 570 HA PHE 74 HA PHE 74 -2.622 25.603 16.627 571 HB2 PHE 74 2HB PHE 74 -1.960 23.655 15.325 572 HB3 PHE 74 3HB PHE 74 -2.816 24.275 13.917 573 HD1 PHE 74 HD1 PHE 74 -1.353 24.922 12.280 574 HD2 PHE 74 HD2 PHE 74 -0.399 25.764 16.342 575 HE1 PHE 74 HE1 PHE 74 0.688 26.090 11.556 576 HE2 PHE 74 HE2 PHE 74 1.641 26.934 15.624 577 HZ PHE 74 HZ PHE 74 2.187 27.099 13.228 578 H GLY 75 H GLY 75 -5.289 25.984 14.481 579 HA2 GLY 75 2HA GLY 75 -6.184 28.127 13.968 580 HA3 GLY 75 3HA GLY 75 -4.577 28.812 14.154 581 H SER 76 H SER 76 -6.051 29.529 11.995 582 HA SER 76 HA SER 76 -5.698 27.909 9.709 583 HB2 SER 76 2HB SER 76 -7.283 29.902 10.006 584 HB3 SER 76 3HB SER 76 -5.886 30.919 9.655 585 HG SER 76 HG SER 76 -5.829 30.177 7.626 586 H SER 77 H SER 77 -4.213 28.069 8.004 587 HA SER 77 HA SER 77 -2.012 29.848 7.990 588 HB2 SER 77 2HB SER 77 -0.225 28.491 8.727 589 HB3 SER 77 3HB SER 77 -1.479 28.260 9.945 590 HG SER 77 HG SER 77 -2.043 26.317 8.884 591 H LYS 78 H LYS 78 -1.088 29.874 6.017 592 HA LYS 78 HA LYS 78 -2.238 28.618 3.847 593 HB2 LYS 78 2HB LYS 78 0.270 30.099 4.335 594 HB3 LYS 78 3HB LYS 78 0.274 29.063 2.913 595 HG2 LYS 78 2HG LYS 78 -2.141 30.670 3.135 596 HG3 LYS 78 3HG LYS 78 -0.668 31.637 3.036 597 HD2 LYS 78 2HD LYS 78 -0.103 30.792 0.948 598 HD3 LYS 78 3HD LYS 78 -1.108 29.355 1.149 599 HE2 LYS 78 2HE LYS 78 -3.040 31.151 1.244 600 HE3 LYS 78 3HE LYS 78 -1.870 32.120 0.350 601 HZ1 LYS 78 1HZ LYS 78 -3.088 31.035 -1.284 602 HZ2 LYS 78 2HZ LYS 78 -3.135 29.572 -0.439 603 HZ3 LYS 78 3HZ LYS 78 -1.693 30.087 -1.157 604 H GLU 79 H GLU 79 0.323 27.489 5.942 605 HA GLU 79 HA GLU 79 1.280 25.392 4.318 606 HB2 GLU 79 2HB GLU 79 1.291 25.777 7.312 607 HB3 GLU 79 3HB GLU 79 2.087 24.428 6.513 608 HG2 GLU 79 2HG GLU 79 3.871 25.667 6.127 609 HG3 GLU 79 3HG GLU 79 2.900 26.848 5.252 610 H ILE 80 H ILE 80 -1.006 25.317 7.054 611 HA ILE 80 HA ILE 80 -1.694 22.594 6.732 612 HB ILE 80 HB ILE 80 -3.254 24.816 8.056 613 HG12 ILE 80 2HG1 ILE 80 -0.968 24.356 8.972 614 HG13 ILE 80 3HG1 ILE 80 -2.270 24.058 10.119 615 HG21 ILE 80 1HG2 ILE 80 -4.881 23.233 7.867 616 HG22 ILE 80 2HG2 ILE 80 -3.730 21.901 7.788 617 HG23 ILE 80 3HG2 ILE 80 -4.099 22.655 9.338 618 HD11 ILE 80 1HD1 ILE 80 -0.978 21.897 8.482 619 HD12 ILE 80 2HD1 ILE 80 -0.454 22.349 10.104 620 HD13 ILE 80 3HD1 ILE 80 -2.077 21.709 9.848 621 H ASP 81 H ASP 81 -3.302 25.588 5.695 622 HA ASP 81 HA ASP 81 -5.597 24.544 4.585 623 HB2 ASP 81 2HB ASP 81 -3.975 26.975 4.149 624 HB3 ASP 81 3HB ASP 81 -5.056 26.539 2.828 625 H MET 82 H MET 82 -2.371 24.764 3.161 626 HA MET 82 HA MET 82 -3.114 23.840 0.587 627 HB2 MET 82 2HB MET 82 -0.485 23.985 2.047 628 HB3 MET 82 3HB MET 82 -0.609 23.309 0.429 629 HG2 MET 82 2HG MET 82 -1.738 26.011 0.951 630 HG3 MET 82 3HG MET 82 0.008 25.822 0.802 631 HE1 MET 82 1HE MET 82 -1.002 27.342 -2.642 632 HE2 MET 82 2HE MET 82 -1.231 27.762 -0.945 633 HE3 MET 82 3HE MET 82 0.359 27.265 -1.524 634 H ALA 83 H ALA 83 -1.643 22.201 3.382 635 HA ALA 83 HA ALA 83 -1.383 19.661 2.299 636 HB1 ALA 83 1HB ALA 83 -0.549 19.283 4.317 637 HB2 ALA 83 2HB ALA 83 -1.171 20.841 4.863 638 HB3 ALA 83 3HB ALA 83 -2.163 19.391 5.020 639 H ILE 84 H ILE 84 -4.194 21.177 3.813 640 HA ILE 84 HA ILE 84 -5.842 18.896 3.879 641 HB ILE 84 HB ILE 84 -6.594 21.814 3.703 642 HG12 ILE 84 2HG1 ILE 84 -5.295 21.125 5.710 643 HG13 ILE 84 3HG1 ILE 84 -6.925 21.663 6.099 644 HG21 ILE 84 1HG2 ILE 84 -8.293 19.393 4.278 645 HG22 ILE 84 2HG2 ILE 84 -8.800 21.056 4.572 646 HG23 ILE 84 3HG2 ILE 84 -8.455 20.516 2.929 647 HD11 ILE 84 1HD1 ILE 84 -5.995 18.808 5.918 648 HD12 ILE 84 2HD1 ILE 84 -6.331 19.712 7.395 649 HD13 ILE 84 3HD1 ILE 84 -7.640 19.331 6.277 650 H VAL 85 H VAL 85 -5.869 21.620 1.573 651 HA VAL 85 HA VAL 85 -7.696 20.476 -0.220 652 HB VAL 85 HB VAL 85 -7.078 22.875 -0.213 653 HG11 VAL 85 1HG1 VAL 85 -4.513 21.845 -1.415 654 HG12 VAL 85 2HG1 VAL 85 -5.022 23.534 -1.468 655 HG13 VAL 85 3HG1 VAL 85 -4.706 22.755 0.083 656 HG21 VAL 85 1HG2 VAL 85 -7.735 23.103 -2.353 657 HG22 VAL 85 2HG2 VAL 85 -6.420 22.103 -2.973 658 HG23 VAL 85 3HG2 VAL 85 -7.865 21.344 -2.304 659 H THR 86 H THR 86 -4.326 19.914 0.273 660 HA THR 86 HA THR 86 -3.662 18.887 -2.277 661 HB THR 86 HB THR 86 -2.443 18.397 0.442 662 HG1 THR 86 HG1 THR 86 -2.324 20.514 -0.774 663 HG21 THR 86 1HG2 THR 86 -1.986 17.026 -2.084 664 HG22 THR 86 2HG2 THR 86 -1.414 16.628 -0.464 665 HG23 THR 86 3HG2 THR 86 -0.526 17.786 -1.454 666 H LEU 87 H LEU 87 -4.434 17.190 0.767 667 HA LEU 87 HA LEU 87 -4.495 14.615 -0.388 668 HB2 LEU 87 2HB LEU 87 -5.585 15.773 2.154 669 HB3 LEU 87 3HB LEU 87 -5.885 14.093 1.713 670 HG LEU 87 HG LEU 87 -3.083 14.619 1.512 671 HD11 LEU 87 1HD1 LEU 87 -2.962 16.277 3.061 672 HD12 LEU 87 2HD1 LEU 87 -2.967 14.889 4.149 673 HD13 LEU 87 3HD1 LEU 87 -4.455 15.791 3.865 674 HD21 LEU 87 1HD2 LEU 87 -3.753 12.421 1.851 675 HD22 LEU 87 2HD2 LEU 87 -4.883 12.857 3.132 676 HD23 LEU 87 3HD2 LEU 87 -3.147 12.898 3.437 677 H LYS 88 H LYS 88 -6.879 17.140 -0.084 678 HA LYS 88 HA LYS 88 -9.146 15.505 -0.676 679 HB2 LYS 88 2HB LYS 88 -8.703 18.490 -0.738 680 HB3 LYS 88 3HB LYS 88 -10.248 17.745 -1.125 681 HG2 LYS 88 2HG LYS 88 -10.247 16.707 1.133 682 HG3 LYS 88 3HG LYS 88 -8.785 17.625 1.503 683 HD2 LYS 88 2HD LYS 88 -10.041 19.713 1.002 684 HD3 LYS 88 3HD LYS 88 -11.499 18.740 0.799 685 HE2 LYS 88 2HE LYS 88 -11.576 18.167 3.056 686 HE3 LYS 88 3HE LYS 88 -9.880 18.571 3.314 687 HZ1 LYS 88 1HZ LYS 88 -11.142 20.282 4.295 688 HZ2 LYS 88 2HZ LYS 88 -12.151 20.437 2.948 689 HZ3 LYS 88 3HZ LYS 88 -10.537 20.934 2.856 690 H VAL 89 H VAL 89 -7.655 18.115 -2.602 691 HA VAL 89 HA VAL 89 -8.903 17.603 -5.001 692 HB VAL 89 HB VAL 89 -6.067 18.571 -4.609 693 HG11 VAL 89 1HG1 VAL 89 -6.319 19.582 -6.828 694 HG12 VAL 89 2HG1 VAL 89 -6.448 17.823 -6.896 695 HG13 VAL 89 3HG1 VAL 89 -7.901 18.819 -6.993 696 HG21 VAL 89 1HG2 VAL 89 -6.869 20.686 -4.308 697 HG22 VAL 89 2HG2 VAL 89 -8.338 20.383 -5.236 698 HG23 VAL 89 3HG2 VAL 89 -8.195 19.773 -3.587 699 H PHE 90 H PHE 90 -5.969 16.118 -3.700 700 HA PHE 90 HA PHE 90 -5.376 14.590 -6.020 701 HB2 PHE 90 2HB PHE 90 -3.657 15.094 -4.361 702 HB3 PHE 90 3HB PHE 90 -4.539 14.182 -3.142 703 HD1 PHE 90 HD1 PHE 90 -4.374 11.823 -3.008 704 HD2 PHE 90 HD2 PHE 90 -2.604 13.916 -6.265 705 HE1 PHE 90 HE1 PHE 90 -3.162 9.783 -3.658 706 HE2 PHE 90 HE2 PHE 90 -1.391 11.879 -6.920 707 HZ PHE 90 HZ PHE 90 -1.669 9.808 -5.616 708 H ALA 91 H ALA 91 -7.296 14.017 -3.139 709 HA ALA 91 HA ALA 91 -7.668 11.237 -3.484 710 HB1 ALA 91 1HB ALA 91 -9.321 13.300 -2.040 711 HB2 ALA 91 2HB ALA 91 -9.634 11.565 -1.976 712 HB3 ALA 91 3HB ALA 91 -8.117 12.211 -1.352 713 H VAL 92 H VAL 92 -9.614 14.039 -4.474 714 HA VAL 92 HA VAL 92 -11.596 12.413 -5.772 715 HB VAL 92 HB VAL 92 -11.155 15.380 -6.105 716 HG11 VAL 92 1HG1 VAL 92 -13.383 15.484 -6.864 717 HG12 VAL 92 2HG1 VAL 92 -12.661 14.113 -7.710 718 HG13 VAL 92 3HG1 VAL 92 -13.726 13.839 -6.330 719 HG21 VAL 92 1HG2 VAL 92 -13.260 15.060 -4.360 720 HG22 VAL 92 2HG2 VAL 92 -12.100 13.848 -3.816 721 HG23 VAL 92 3HG2 VAL 92 -11.620 15.541 -3.925 722 H ALA 93 H ALA 93 -9.207 14.776 -6.975 723 HA ALA 93 HA ALA 93 -9.575 14.171 -9.700 724 HB1 ALA 93 1HB ALA 93 -7.945 15.704 -10.110 725 HB2 ALA 93 2HB ALA 93 -8.329 16.152 -8.448 726 HB3 ALA 93 3HB ALA 93 -6.925 15.141 -8.786 727 H GLY 94 H GLY 94 -8.021 12.440 -7.219 728 HA2 GLY 94 2HA GLY 94 -6.384 10.932 -9.149 729 HA3 GLY 94 3HA GLY 94 -6.159 10.932 -7.406 730 H LEU 95 H LEU 95 -7.950 9.955 -6.116 731 HA LEU 95 HA LEU 95 -8.429 7.325 -6.931 732 HB2 LEU 95 2HB LEU 95 -10.143 8.764 -4.935 733 HB3 LEU 95 3HB LEU 95 -9.680 7.064 -4.963 734 HG LEU 95 HG LEU 95 -7.940 9.418 -4.238 735 HD11 LEU 95 1HD1 LEU 95 -8.593 8.998 -2.164 736 HD12 LEU 95 2HD1 LEU 95 -7.973 7.353 -2.302 737 HD13 LEU 95 3HD1 LEU 95 -9.645 7.705 -2.740 738 HD21 LEU 95 1HD2 LEU 95 -7.211 6.502 -4.495 739 HD22 LEU 95 2HD2 LEU 95 -6.180 7.762 -3.818 740 HD23 LEU 95 3HD2 LEU 95 -6.637 7.816 -5.522 741 H LEU 96 H LEU 96 -10.678 10.083 -6.784 742 HA LEU 96 HA LEU 96 -12.817 8.628 -8.002 743 HB2 LEU 96 2HB LEU 96 -12.660 10.904 -6.532 744 HB3 LEU 96 3HB LEU 96 -12.875 11.564 -8.151 745 HG LEU 96 HG LEU 96 -14.746 9.443 -7.213 746 HD11 LEU 96 1HD1 LEU 96 -15.779 10.666 -5.663 747 HD12 LEU 96 2HD1 LEU 96 -15.662 12.140 -6.624 748 HD13 LEU 96 3HD1 LEU 96 -14.307 11.636 -5.616 749 HD21 LEU 96 1HD2 LEU 96 -15.310 10.001 -9.344 750 HD22 LEU 96 2HD2 LEU 96 -14.677 11.641 -9.203 751 HD23 LEU 96 3HD2 LEU 96 -16.238 11.233 -8.490 752 H ASN 97 H ASN 97 -10.008 9.968 -9.218 753 HA ASN 97 HA ASN 97 -9.263 10.538 -11.296 754 HB2 ASN 97 2HB ASN 97 -11.455 8.603 -12.077 755 HB3 ASN 97 3HB ASN 97 -10.177 9.161 -13.152 756 HD21 ASN 97 1HD2 ASN 97 -11.095 6.634 -11.396 757 HD22 ASN 97 2HD2 ASN 97 -9.562 5.961 -10.969 758 H MET 98 H MET 98 -11.328 12.231 -10.138 759 HA MET 98 HA MET 98 -13.004 13.043 -12.359 760 HB2 MET 98 2HB MET 98 -13.288 13.187 -9.630 761 HB3 MET 98 3HB MET 98 -12.857 14.840 -10.045 762 HG2 MET 98 2HG MET 98 -14.745 15.140 -11.358 763 HG3 MET 98 3HG MET 98 -15.011 13.407 -11.538 764 HE1 MET 98 1HE MET 98 -17.980 15.289 -9.483 765 HE2 MET 98 2HE MET 98 -16.688 16.392 -9.959 766 HE3 MET 98 3HE MET 98 -17.285 15.187 -11.101 767 H THR 99 H THR 99 -13.082 15.406 -12.934 768 HA THR 99 HA THR 99 -10.336 16.370 -13.327 769 HB THR 99 HB THR 99 -11.455 17.857 -15.088 770 HG1 THR 99 HG1 THR 99 -13.594 17.688 -14.731 771 HG21 THR 99 1HG2 THR 99 -10.288 15.433 -15.273 772 HG22 THR 99 2HG2 THR 99 -10.891 16.332 -16.666 773 HG23 THR 99 3HG2 THR 99 -11.877 15.062 -15.941 774 H VAL 100 H VAL 100 -10.454 17.178 -11.061 775 HA VAL 100 HA VAL 100 -12.197 19.165 -10.188 776 HB VAL 100 HB VAL 100 -9.277 18.970 -9.448 777 HG11 VAL 100 1HG1 VAL 100 -9.765 20.201 -7.565 778 HG12 VAL 100 2HG1 VAL 100 -10.837 20.950 -8.751 779 HG13 VAL 100 3HG1 VAL 100 -11.476 19.776 -7.599 780 HG21 VAL 100 1HG2 VAL 100 -10.155 17.538 -7.559 781 HG22 VAL 100 2HG2 VAL 100 -11.654 17.399 -8.478 782 HG23 VAL 100 3HG2 VAL 100 -10.145 16.787 -9.155 783 H SER 101 H SER 101 -12.371 21.305 -10.514 784 HA SER 101 HA SER 101 -10.931 22.498 -12.681 785 HB2 SER 101 2HB SER 101 -13.139 23.339 -10.858 786 HB3 SER 101 3HB SER 101 -12.248 24.596 -11.716 787 HG SER 101 HG SER 101 -14.145 23.699 -12.817 788 H THR 102 H THR 102 -11.206 23.314 -9.220 789 HA THR 102 HA THR 102 -8.442 24.288 -9.292 790 HB THR 102 HB THR 102 -8.921 26.335 -8.202 791 HG1 THR 102 HG1 THR 102 -10.754 26.713 -7.139 792 HG21 THR 102 1HG2 THR 102 -10.143 27.520 -9.824 793 HG22 THR 102 2HG2 THR 102 -11.178 26.136 -10.179 794 HG23 THR 102 3HG2 THR 102 -9.490 26.129 -10.689 795 H ALA 103 H ALA 103 -7.512 24.565 -7.117 796 HA ALA 103 HA ALA 103 -7.778 22.322 -5.529 797 HB1 ALA 103 1HB ALA 103 -6.904 24.402 -3.835 798 HB2 ALA 103 2HB ALA 103 -5.927 23.208 -4.690 799 HB3 ALA 103 3HB ALA 103 -6.291 24.756 -5.451 800 H ALA 104 H ALA 104 -9.268 25.513 -5.091 801 HA ALA 104 HA ALA 104 -10.549 24.944 -2.646 802 HB1 ALA 104 1HB ALA 104 -10.342 27.141 -4.385 803 HB2 ALA 104 2HB ALA 104 -12.066 26.821 -4.187 804 HB3 ALA 104 3HB ALA 104 -11.053 27.101 -2.771 805 H ALA 105 H ALA 105 -11.580 24.586 -6.007 806 HA ALA 105 HA ALA 105 -14.263 23.983 -5.611 807 HB1 ALA 105 1HB ALA 105 -13.213 24.379 -7.811 808 HB2 ALA 105 2HB ALA 105 -12.456 22.788 -7.708 809 HB3 ALA 105 3HB ALA 105 -14.213 22.926 -7.779 810 H ALA 106 H ALA 106 -11.436 21.852 -5.517 811 HA ALA 106 HA ALA 106 -12.884 19.442 -5.166 812 HB1 ALA 106 1HB ALA 106 -10.218 19.489 -3.972 813 HB2 ALA 106 2HB ALA 106 -10.872 18.468 -5.253 814 HB3 ALA 106 3HB ALA 106 -10.265 20.078 -5.634 815 H GLU 107 H GLU 107 -11.300 21.644 -2.869 816 HA GLU 107 HA GLU 107 -11.741 20.206 -0.533 817 HB2 GLU 107 2HB GLU 107 -10.311 22.116 -0.470 818 HB3 GLU 107 3HB GLU 107 -11.597 23.178 -1.029 819 HG2 GLU 107 2HG GLU 107 -12.515 23.379 1.020 820 HG3 GLU 107 3HG GLU 107 -12.104 21.730 1.489 821 H ASN 108 H ASN 108 -13.856 22.503 -2.199 822 HA ASN 108 HA ASN 108 -15.901 22.543 -0.257 823 HB2 ASN 108 2HB ASN 108 -15.411 23.843 -2.654 824 HB3 ASN 108 3HB ASN 108 -16.846 22.884 -2.999 825 HD21 ASN 108 1HD2 ASN 108 -16.201 25.835 -2.462 826 HD22 ASN 108 2HD2 ASN 108 -17.430 26.311 -1.345 827 H MET 109 H MET 109 -15.528 20.646 -3.242 828 HA MET 109 HA MET 109 -17.940 19.210 -2.991 829 HB2 MET 109 2HB MET 109 -16.682 19.369 -5.098 830 HB3 MET 109 3HB MET 109 -15.386 18.410 -4.398 831 HG2 MET 109 2HG MET 109 -16.642 16.949 -5.746 832 HG3 MET 109 3HG MET 109 -17.060 16.569 -4.078 833 HE1 MET 109 1HE MET 109 -20.508 16.314 -4.029 834 HE2 MET 109 2HE MET 109 -18.940 16.304 -3.222 835 HE3 MET 109 3HE MET 109 -19.970 17.733 -3.128 836 H TYR 110 H TYR 110 -14.746 18.731 -1.657 837 HA TYR 110 HA TYR 110 -15.011 16.042 -0.872 838 HB2 TYR 110 2HB TYR 110 -12.941 17.688 -0.876 839 HB3 TYR 110 3HB TYR 110 -13.431 17.955 0.793 840 HD1 TYR 110 HD1 TYR 110 -12.971 16.349 2.474 841 HD2 TYR 110 HD2 TYR 110 -12.328 15.374 -1.618 842 HE1 TYR 110 HE1 TYR 110 -11.781 14.307 3.154 843 HE2 TYR 110 HE2 TYR 110 -11.138 13.329 -0.949 844 HH TYR 110 HH TYR 110 -11.309 11.796 1.442 845 H SER 111 H SER 111 -15.455 19.029 1.024 846 HA SER 111 HA SER 111 -16.505 17.644 3.289 847 HB2 SER 111 2HB SER 111 -16.548 19.696 4.333 848 HB3 SER 111 3HB SER 111 -15.385 20.044 3.054 849 HG SER 111 HG SER 111 -16.906 21.666 3.048 850 H GLN 112 H GLN 112 -17.892 19.255 0.498 851 HA GLN 112 HA GLN 112 -20.548 19.431 1.369 852 HB2 GLN 112 2HB GLN 112 -19.747 20.593 -0.621 853 HB3 GLN 112 3HB GLN 112 -19.469 19.058 -1.431 854 HG2 GLN 112 2HG GLN 112 -21.494 20.004 -2.262 855 HG3 GLN 112 3HG GLN 112 -21.895 18.594 -1.284 856 HE21 GLN 112 1HE2 GLN 112 -23.902 19.122 -0.635 857 HE22 GLN 112 2HE2 GLN 112 -24.290 20.511 0.314 858 H MET 113 H MET 113 -18.718 16.774 0.000 859 HA MET 113 HA MET 113 -21.028 15.095 -0.369 860 HB2 MET 113 2HB MET 113 -18.246 15.029 -1.091 861 HB3 MET 113 3HB MET 113 -18.695 13.509 -0.329 862 HG2 MET 113 2HG MET 113 -20.288 13.022 -1.956 863 HG3 MET 113 3HG MET 113 -20.353 14.690 -2.521 864 HE1 MET 113 1HE MET 113 -19.854 11.930 -4.532 865 HE2 MET 113 2HE MET 113 -18.180 11.386 -4.417 866 HE3 MET 113 3HE MET 113 -19.232 11.307 -3.004 867 H GLY 114 H GLY 114 -18.900 15.864 2.208 868 HA2 GLY 114 2HA GLY 114 -19.513 15.282 4.457 869 HA3 GLY 114 3HA GLY 114 -20.183 13.777 3.843 870 H LEU 115 H LEU 115 -17.140 14.764 2.583 871 HA LEU 115 HA LEU 115 -15.872 12.480 3.851 872 HB2 LEU 115 2HB LEU 115 -14.844 14.434 1.799 873 HB3 LEU 115 3HB LEU 115 -13.981 13.004 2.360 874 HG LEU 115 HG LEU 115 -16.577 12.255 1.390 875 HD11 LEU 115 1HD1 LEU 115 -16.073 12.807 -1.024 876 HD12 LEU 115 2HD1 LEU 115 -14.910 13.986 -0.416 877 HD13 LEU 115 3HD1 LEU 115 -16.621 14.148 -0.017 878 HD21 LEU 115 1HD2 LEU 115 -14.892 10.634 1.506 879 HD22 LEU 115 2HD2 LEU 115 -13.721 11.662 0.678 880 HD23 LEU 115 3HD2 LEU 115 -15.070 10.963 -0.218 881 H ASP 116 H ASP 116 -15.777 15.970 3.969 882 HA ASP 116 HA ASP 116 -13.624 15.836 5.971 883 HB2 ASP 116 2HB ASP 116 -12.913 17.277 4.248 884 HB3 ASP 116 3HB ASP 116 -14.503 18.020 4.097 885 H THR 117 H THR 117 -13.895 16.725 7.982 886 HA THR 117 HA THR 117 -16.652 17.188 8.791 887 HB THR 117 HB THR 117 -15.519 17.335 11.120 888 HG1 THR 117 HG1 THR 117 -13.498 16.019 11.011 889 HG21 THR 117 1HG2 THR 117 -15.780 14.881 9.415 890 HG22 THR 117 2HG2 THR 117 -16.816 15.439 10.728 891 HG23 THR 117 3HG2 THR 117 -15.228 14.762 11.086 892 H ARG 118 H ARG 118 -17.466 19.169 8.840 893 HA ARG 118 HA ARG 118 -15.649 21.423 9.393 894 HB2 ARG 118 2HB ARG 118 -16.594 21.338 7.065 895 HB3 ARG 118 3HB ARG 118 -18.193 21.535 7.770 896 HG2 ARG 118 2HG ARG 118 -17.777 23.705 7.320 897 HG3 ARG 118 3HG ARG 118 -16.982 23.629 8.895 898 HD2 ARG 118 2HD ARG 118 -15.113 24.313 7.904 899 HD3 ARG 118 3HD ARG 118 -15.065 22.769 7.056 900 HE ARG 118 HE ARG 118 -15.623 23.868 5.139 901 HH11 ARG 118 1HH1 ARG 118 -16.521 25.848 7.859 902 HH12 ARG 118 2HH1 ARG 118 -16.993 27.201 6.885 903 HH21 ARG 118 1HH2 ARG 118 -16.241 25.643 3.846 904 HH22 ARG 118 2HH2 ARG 118 -16.834 27.083 4.602 905 HA PRO 119 HA PRO 119 -18.836 21.164 12.776 906 HB2 PRO 119 2HB PRO 119 -17.058 21.488 14.803 907 HB3 PRO 119 3HB PRO 119 -17.448 19.909 14.108 908 HG2 PRO 119 2HG PRO 119 -15.102 21.690 13.569 909 HG3 PRO 119 3HG PRO 119 -15.142 19.932 13.798 910 HD2 PRO 119 2HD PRO 119 -14.994 21.079 11.349 911 HD3 PRO 119 3HD PRO 119 -15.831 19.540 11.633 Start of MODEL 8 1 H1 GLY 2 H GLY 2 9.571 4.885 0.449 2 HA2 GLY 2 2HA GLY 2 9.771 3.191 -1.925 3 HA3 GLY 2 3HA GLY 2 8.809 2.580 -0.587 4 H ASN 3 H ASN 3 8.123 3.442 -3.383 5 HA ASN 3 HA ASN 3 5.912 5.222 -2.625 6 HB2 ASN 3 2HB ASN 3 8.047 6.019 -4.217 7 HB3 ASN 3 3HB ASN 3 6.782 5.620 -5.377 8 HD21 ASN 3 1HD2 ASN 3 7.283 7.383 -2.346 9 HD22 ASN 3 2HD2 ASN 3 6.213 8.685 -2.726 10 H GLY 4 H GLY 4 4.553 5.357 -4.966 11 HA2 GLY 4 2HA GLY 4 3.536 2.645 -5.188 12 HA3 GLY 4 3HA GLY 4 2.801 4.095 -5.855 13 H GLN 5 H GLN 5 4.210 5.134 -7.650 14 HA GLN 5 HA GLN 5 5.031 4.990 -9.766 15 HB2 GLN 5 2HB GLN 5 6.573 3.094 -8.207 16 HB3 GLN 5 3HB GLN 5 6.427 2.573 -9.881 17 HG2 GLN 5 2HG GLN 5 8.219 3.866 -10.199 18 HG3 GLN 5 3HG GLN 5 7.046 5.182 -10.217 19 HE21 GLN 5 1HE2 GLN 5 7.703 6.843 -9.077 20 HE22 GLN 5 2HE2 GLN 5 8.588 6.783 -7.595 21 H GLY 6 H GLY 6 3.007 4.699 -10.731 22 HA2 GLY 6 2HA GLY 6 2.713 2.226 -12.155 23 HA3 GLY 6 3HA GLY 6 1.475 2.439 -10.926 24 H ARG 7 H ARG 7 0.214 2.271 -13.050 25 HA ARG 7 HA ARG 7 0.194 4.472 -14.832 26 HB2 ARG 7 2HB ARG 7 -1.535 2.112 -14.321 27 HB3 ARG 7 3HB ARG 7 -2.268 3.465 -15.173 28 HG2 ARG 7 2HG ARG 7 -0.298 3.356 -16.761 29 HG3 ARG 7 3HG ARG 7 0.095 1.811 -16.003 30 HD2 ARG 7 2HD ARG 7 -1.188 1.202 -17.847 31 HD3 ARG 7 3HD ARG 7 -2.342 1.176 -16.514 32 HE ARG 7 HE ARG 7 -2.288 3.703 -17.834 33 HH11 ARG 7 1HH1 ARG 7 -3.528 0.457 -18.043 34 HH12 ARG 7 2HH1 ARG 7 -4.900 0.903 -19.003 35 HH21 ARG 7 1HH2 ARG 7 -4.091 4.302 -19.097 36 HH22 ARG 7 2HH2 ARG 7 -5.218 3.090 -19.603 37 H ASP 8 H ASP 8 -2.101 3.538 -12.264 38 HA ASP 8 HA ASP 8 -3.700 5.820 -12.389 39 HB2 ASP 8 2HB ASP 8 -4.051 3.603 -11.091 40 HB3 ASP 8 3HB ASP 8 -3.153 4.394 -9.799 41 H TRP 9 H TRP 9 -0.589 5.309 -10.933 42 HA TRP 9 HA TRP 9 -0.630 7.569 -9.203 43 HB2 TRP 9 2HB TRP 9 0.926 5.514 -9.123 44 HB3 TRP 9 3HB TRP 9 1.870 6.350 -10.352 45 HD1 TRP 9 HD1 TRP 9 3.909 7.387 -9.218 46 HE1 TRP 9 HE1 TRP 9 4.350 8.702 -7.050 47 HE3 TRP 9 HE3 TRP 9 -0.788 7.232 -7.204 48 HZ2 TRP 9 HZ2 TRP 9 2.900 9.559 -4.785 49 HZ3 TRP 9 HZ3 TRP 9 -1.177 8.323 -5.033 50 HH2 TRP 9 HH2 TRP 9 0.630 9.462 -3.850 51 H LYS 10 H LYS 10 1.221 7.026 -12.207 52 HA LYS 10 HA LYS 10 2.086 9.631 -12.574 53 HB2 LYS 10 2HB LYS 10 1.580 7.349 -14.448 54 HB3 LYS 10 3HB LYS 10 2.018 8.924 -15.097 55 HG2 LYS 10 2HG LYS 10 4.148 8.813 -14.313 56 HG3 LYS 10 3HG LYS 10 3.704 7.822 -12.922 57 HD2 LYS 10 2HD LYS 10 3.680 5.856 -14.181 58 HD3 LYS 10 3HD LYS 10 3.550 6.727 -15.710 59 HE2 LYS 10 2HE LYS 10 5.776 5.840 -15.499 60 HE3 LYS 10 3HE LYS 10 5.842 7.596 -15.358 61 HZ1 LYS 10 1HZ LYS 10 6.386 7.493 -13.163 62 HZ2 LYS 10 2HZ LYS 10 7.105 6.053 -13.682 63 HZ3 LYS 10 3HZ LYS 10 5.604 6.015 -12.903 64 H MET 11 H MET 11 -0.976 8.142 -13.449 65 HA MET 11 HA MET 11 -1.932 10.292 -15.039 66 HB2 MET 11 2HB MET 11 -3.403 8.094 -13.577 67 HB3 MET 11 3HB MET 11 -4.163 9.217 -14.697 68 HG2 MET 11 2HG MET 11 -1.819 7.614 -15.597 69 HG3 MET 11 3HG MET 11 -3.405 6.856 -15.491 70 HE1 MET 11 1HE MET 11 -3.703 6.361 -18.190 71 HE2 MET 11 2HE MET 11 -5.039 6.850 -17.148 72 HE3 MET 11 3HE MET 11 -4.871 7.555 -18.756 73 H ALA 12 H ALA 12 -2.149 9.498 -11.615 74 HA ALA 12 HA ALA 12 -4.065 11.420 -10.884 75 HB1 ALA 12 1HB ALA 12 -3.507 10.955 -8.665 76 HB2 ALA 12 2HB ALA 12 -3.153 9.454 -9.521 77 HB3 ALA 12 3HB ALA 12 -1.841 10.543 -9.073 78 H ILE 13 H ILE 13 -0.540 11.580 -11.114 79 HA ILE 13 HA ILE 13 -0.266 14.174 -10.016 80 HB ILE 13 HB ILE 13 1.552 12.712 -11.934 81 HG12 ILE 13 2HG1 ILE 13 1.143 11.547 -9.780 82 HG13 ILE 13 3HG1 ILE 13 2.814 12.074 -9.960 83 HG21 ILE 13 1HG2 ILE 13 1.632 15.393 -10.893 84 HG22 ILE 13 2HG2 ILE 13 3.029 14.469 -10.343 85 HG23 ILE 13 3HG2 ILE 13 2.693 14.615 -12.067 86 HD11 ILE 13 1HD1 ILE 13 2.434 13.928 -8.480 87 HD12 ILE 13 2HD1 ILE 13 0.716 13.541 -8.381 88 HD13 ILE 13 3HD1 ILE 13 1.909 12.435 -7.701 89 H LYS 14 H LYS 14 -0.185 13.065 -13.405 90 HA LYS 14 HA LYS 14 -0.029 15.590 -14.587 91 HB2 LYS 14 2HB LYS 14 -0.508 12.870 -15.447 92 HB3 LYS 14 3HB LYS 14 -1.523 13.994 -16.342 93 HG2 LYS 14 2HG LYS 14 0.598 15.329 -16.765 94 HG3 LYS 14 3HG LYS 14 1.472 13.914 -16.174 95 HD2 LYS 14 2HD LYS 14 0.320 12.546 -17.896 96 HD3 LYS 14 3HD LYS 14 -0.419 14.022 -18.524 97 HE2 LYS 14 2HE LYS 14 1.535 14.778 -19.425 98 HE3 LYS 14 3HE LYS 14 2.532 13.987 -18.205 99 HZ1 LYS 14 1HZ LYS 14 1.944 11.844 -19.298 100 HZ2 LYS 14 2HZ LYS 14 2.881 12.877 -20.254 101 HZ3 LYS 14 3HZ LYS 14 1.222 12.726 -20.548 102 H ARG 15 H ARG 15 -2.830 13.683 -13.595 103 HA ARG 15 HA ARG 15 -4.835 15.255 -14.746 104 HB2 ARG 15 2HB ARG 15 -4.728 13.383 -12.414 105 HB3 ARG 15 3HB ARG 15 -6.174 14.353 -12.671 106 HG2 ARG 15 2HG ARG 15 -4.977 12.568 -14.776 107 HG3 ARG 15 3HG ARG 15 -6.237 12.053 -13.651 108 HD2 ARG 15 2HD ARG 15 -7.828 13.074 -14.833 109 HD3 ARG 15 3HD ARG 15 -6.897 14.567 -14.927 110 HE ARG 15 HE ARG 15 -6.162 13.949 -17.014 111 HH11 ARG 15 1HH1 ARG 15 -7.681 11.231 -15.457 112 HH12 ARG 15 2HH1 ARG 15 -7.686 10.249 -16.885 113 HH21 ARG 15 1HH2 ARG 15 -6.162 12.667 -18.900 114 HH22 ARG 15 2HH2 ARG 15 -6.821 11.067 -18.842 115 H CYS 16 H CYS 16 -3.425 15.412 -11.481 116 HA CYS 16 HA CYS 16 -4.945 17.615 -10.607 117 HB2 CYS 16 2HB CYS 16 -2.788 15.995 -9.599 118 HB3 CYS 16 3HB CYS 16 -2.463 17.693 -9.270 119 HG CYS 16 HG CYS 16 -5.392 16.154 -8.404 120 H SER 17 H SER 17 -2.080 17.367 -12.551 121 HA SER 17 HA SER 17 -0.961 19.888 -12.226 122 HB2 SER 17 2HB SER 17 -1.118 18.433 -14.870 123 HB3 SER 17 3HB SER 17 0.141 19.538 -14.318 124 HG SER 17 HG SER 17 0.886 18.012 -12.935 125 H ASN 18 H ASN 18 -3.868 18.933 -13.849 126 HA ASN 18 HA ASN 18 -4.132 21.536 -15.153 127 HB2 ASN 18 2HB ASN 18 -4.723 19.172 -16.172 128 HB3 ASN 18 3HB ASN 18 -6.241 19.422 -15.315 129 HD21 ASN 18 1HD2 ASN 18 -7.694 19.976 -16.771 130 HD22 ASN 18 2HD2 ASN 18 -7.499 21.192 -17.983 131 H VAL 19 H VAL 19 -4.278 21.169 -12.221 132 HA VAL 19 HA VAL 19 -7.039 22.105 -11.782 133 HB VAL 19 HB VAL 19 -5.190 20.772 -9.798 134 HG11 VAL 19 1HG1 VAL 19 -6.427 21.995 -8.357 135 HG12 VAL 19 2HG1 VAL 19 -7.732 22.243 -9.519 136 HG13 VAL 19 3HG1 VAL 19 -7.614 20.721 -8.635 137 HG21 VAL 19 1HG2 VAL 19 -6.839 18.941 -9.860 138 HG22 VAL 19 2HG2 VAL 19 -7.690 19.774 -11.160 139 HG23 VAL 19 3HG2 VAL 19 -6.047 19.187 -11.416 140 H ALA 20 H ALA 20 -7.286 24.143 -11.147 141 HA ALA 20 HA ALA 20 -5.030 25.853 -10.778 142 HB1 ALA 20 1HB ALA 20 -6.482 27.486 -11.215 143 HB2 ALA 20 2HB ALA 20 -7.669 26.212 -11.502 144 HB3 ALA 20 3HB ALA 20 -7.565 26.979 -9.917 145 H VAL 21 H VAL 21 -3.857 25.805 -8.975 146 HA VAL 21 HA VAL 21 -4.637 24.791 -6.502 147 HB VAL 21 HB VAL 21 -2.555 26.939 -6.902 148 HG11 VAL 21 1HG1 VAL 21 -2.929 26.579 -4.595 149 HG12 VAL 21 2HG1 VAL 21 -3.002 24.829 -4.804 150 HG13 VAL 21 3HG1 VAL 21 -1.469 25.679 -4.999 151 HG21 VAL 21 1HG2 VAL 21 -1.670 25.471 -8.368 152 HG22 VAL 21 2HG2 VAL 21 -1.147 24.637 -6.906 153 HG23 VAL 21 3HG2 VAL 21 -2.609 24.115 -7.742 154 H GLY 22 H GLY 22 -5.153 27.925 -7.910 155 HA2 GLY 22 2HA GLY 22 -5.670 29.353 -5.509 156 HA3 GLY 22 3HA GLY 22 -6.172 29.831 -7.124 157 H VAL 23 H VAL 23 -8.048 30.573 -5.733 158 HA VAL 23 HA VAL 23 -9.924 28.395 -5.149 159 HB VAL 23 HB VAL 23 -10.228 31.320 -4.470 160 HG11 VAL 23 1HG1 VAL 23 -12.028 29.157 -4.392 161 HG12 VAL 23 2HG1 VAL 23 -11.583 29.507 -2.721 162 HG13 VAL 23 3HG1 VAL 23 -12.253 30.780 -3.741 163 HG21 VAL 23 1HG2 VAL 23 -9.532 30.700 -2.198 164 HG22 VAL 23 2HG2 VAL 23 -9.175 29.067 -2.760 165 HG23 VAL 23 3HG2 VAL 23 -8.245 30.434 -3.374 166 H GLY 24 H GLY 24 -9.862 31.575 -6.764 167 HA2 GLY 24 2HA GLY 24 -12.241 30.766 -8.296 168 HA3 GLY 24 3HA GLY 24 -11.676 32.417 -8.085 169 H GLY 25 H GLY 25 -10.506 33.308 -9.670 170 HA2 GLY 25 2HA GLY 25 -9.787 31.596 -11.934 171 HA3 GLY 25 3HA GLY 25 -9.913 33.349 -11.960 172 H LYS 26 H LYS 26 -7.907 30.629 -11.007 173 HA LYS 26 HA LYS 26 -5.612 32.467 -10.801 174 HB2 LYS 26 2HB LYS 26 -6.479 30.774 -8.869 175 HB3 LYS 26 3HB LYS 26 -5.342 29.732 -9.713 176 HG2 LYS 26 2HG LYS 26 -4.142 30.769 -7.968 177 HG3 LYS 26 3HG LYS 26 -3.640 31.568 -9.459 178 HD2 LYS 26 2HD LYS 26 -5.939 32.864 -8.259 179 HD3 LYS 26 3HD LYS 26 -4.570 32.794 -7.147 180 HE2 LYS 26 2HE LYS 26 -4.011 33.605 -9.942 181 HE3 LYS 26 3HE LYS 26 -4.887 34.754 -8.931 182 HZ1 LYS 26 1HZ LYS 26 -2.150 34.263 -8.974 183 HZ2 LYS 26 2HZ LYS 26 -2.716 33.704 -7.481 184 HZ3 LYS 26 3HZ LYS 26 -2.998 35.305 -7.946 185 H SER 27 H SER 27 -3.563 31.682 -11.610 186 HA SER 27 HA SER 27 -3.930 30.021 -13.995 187 HB2 SER 27 2HB SER 27 -1.653 31.861 -13.221 188 HB3 SER 27 3HB SER 27 -1.777 30.975 -14.741 189 HG SER 27 HG SER 27 -2.687 32.823 -15.301 190 H LYS 28 H LYS 28 -1.770 30.384 -11.204 191 HA LYS 28 HA LYS 28 -0.040 28.277 -11.694 192 HB2 LYS 28 2HB LYS 28 -0.956 29.723 -9.269 193 HB3 LYS 28 3HB LYS 28 -0.155 28.178 -9.012 194 HG2 LYS 28 2HG LYS 28 1.693 29.096 -10.522 195 HG3 LYS 28 3HG LYS 28 0.938 30.670 -10.265 196 HD2 LYS 28 2HD LYS 28 1.873 30.853 -8.255 197 HD3 LYS 28 3HD LYS 28 1.236 29.282 -7.763 198 HE2 LYS 28 2HE LYS 28 3.169 28.302 -9.146 199 HE3 LYS 28 3HE LYS 28 3.852 29.925 -9.084 200 HZ1 LYS 28 1HZ LYS 28 4.299 28.056 -7.240 201 HZ2 LYS 28 2HZ LYS 28 2.974 28.842 -6.542 202 HZ3 LYS 28 3HZ LYS 28 4.372 29.716 -6.923 203 H LYS 29 H LYS 29 -0.216 26.129 -11.681 204 HA LYS 29 HA LYS 29 -2.676 24.950 -10.565 205 HB2 LYS 29 2HB LYS 29 -2.383 23.141 -12.236 206 HB3 LYS 29 3HB LYS 29 -2.636 24.718 -12.971 207 HG2 LYS 29 2HG LYS 29 0.109 24.536 -12.764 208 HG3 LYS 29 3HG LYS 29 -0.392 22.900 -13.199 209 HD2 LYS 29 2HD LYS 29 -1.909 24.272 -14.916 210 HD3 LYS 29 3HD LYS 29 -0.586 25.427 -14.737 211 HE2 LYS 29 2HE LYS 29 0.945 24.031 -15.706 212 HE3 LYS 29 3HE LYS 29 0.099 22.570 -15.194 213 HZ1 LYS 29 1HZ LYS 29 -0.028 23.875 -17.671 214 HZ2 LYS 29 2HZ LYS 29 -1.562 23.956 -16.961 215 HZ3 LYS 29 3HZ LYS 29 -0.814 22.456 -17.191 216 H PHE 30 H PHE 30 -2.366 22.544 -10.050 217 HA PHE 30 HA PHE 30 -0.431 22.313 -8.017 218 HB2 PHE 30 2HB PHE 30 -2.622 20.751 -9.042 219 HB3 PHE 30 3HB PHE 30 -1.235 19.709 -8.743 220 HD1 PHE 30 HD1 PHE 30 -3.395 22.272 -7.155 221 HD2 PHE 30 HD2 PHE 30 -0.721 19.010 -6.583 222 HE1 PHE 30 HE1 PHE 30 -3.932 22.257 -4.753 223 HE2 PHE 30 HE2 PHE 30 -1.254 18.989 -4.182 224 HZ PHE 30 HZ PHE 30 -2.862 20.613 -3.263 225 H GLY 31 H GLY 31 0.849 20.015 -8.060 226 HA2 GLY 31 2HA GLY 31 2.088 19.304 -10.511 227 HA3 GLY 31 3HA GLY 31 3.102 20.435 -9.629 228 H GLU 32 H GLU 32 4.104 17.985 -10.164 229 HA GLU 32 HA GLU 32 3.605 15.997 -8.236 230 HB2 GLU 32 2HB GLU 32 5.751 15.040 -8.931 231 HB3 GLU 32 3HB GLU 32 4.793 15.531 -10.321 232 HG2 GLU 32 2HG GLU 32 6.767 16.398 -10.973 233 HG3 GLU 32 3HG GLU 32 6.214 17.760 -9.999 234 H GLY 33 H GLY 33 5.831 18.736 -8.285 235 HA2 GLY 33 2HA GLY 33 7.306 18.062 -5.981 236 HA3 GLY 33 3HA GLY 33 7.123 19.681 -6.641 237 H ASN 34 H ASN 34 4.562 20.315 -6.329 238 HA ASN 34 HA ASN 34 4.344 20.906 -3.590 239 HB2 ASN 34 2HB ASN 34 2.810 21.421 -6.018 240 HB3 ASN 34 3HB ASN 34 1.779 21.207 -4.605 241 HD21 ASN 34 1HD2 ASN 34 1.262 23.465 -5.016 242 HD22 ASN 34 2HD2 ASN 34 2.292 24.690 -4.363 243 H PHE 35 H PHE 35 2.963 18.353 -5.565 244 HA PHE 35 HA PHE 35 1.018 17.402 -3.806 245 HB2 PHE 35 2HB PHE 35 1.174 16.636 -6.120 246 HB3 PHE 35 3HB PHE 35 2.714 15.856 -5.778 247 HD1 PHE 35 HD1 PHE 35 -0.554 15.885 -3.983 248 HD2 PHE 35 HD2 PHE 35 2.462 13.580 -5.908 249 HE1 PHE 35 HE1 PHE 35 -1.742 13.821 -3.365 250 HE2 PHE 35 HE2 PHE 35 1.279 11.512 -5.293 251 HZ PHE 35 HZ PHE 35 -0.827 11.631 -4.021 252 H ARG 36 H ARG 36 4.404 16.359 -4.174 253 HA ARG 36 HA ARG 36 4.371 14.475 -2.088 254 HB2 ARG 36 2HB ARG 36 6.792 16.050 -2.952 255 HB3 ARG 36 3HB ARG 36 6.743 14.426 -2.279 256 HG2 ARG 36 2HG ARG 36 5.163 14.358 -4.596 257 HG3 ARG 36 3HG ARG 36 6.619 15.263 -5.011 258 HD2 ARG 36 2HD ARG 36 6.489 12.510 -3.786 259 HD3 ARG 36 3HD ARG 36 6.962 12.905 -5.438 260 HE ARG 36 HE ARG 36 8.591 13.084 -3.083 261 HH11 ARG 36 1HH1 ARG 36 8.080 14.329 -6.294 262 HH12 ARG 36 2HH1 ARG 36 9.726 14.831 -6.503 263 HH21 ARG 36 1HH2 ARG 36 10.760 13.739 -3.345 264 HH22 ARG 36 2HH2 ARG 36 11.248 14.494 -4.825 265 H TRP 37 H TRP 37 5.633 17.811 -2.120 266 HA TRP 37 HA TRP 37 6.427 18.021 0.502 267 HB2 TRP 37 2HB TRP 37 6.936 19.836 -0.910 268 HB3 TRP 37 3HB TRP 37 5.254 20.047 -1.390 269 HD1 TRP 37 HD1 TRP 37 7.765 21.121 1.212 270 HE1 TRP 37 HE1 TRP 37 6.679 22.841 2.790 271 HE3 TRP 37 HE3 TRP 37 2.904 20.660 -0.304 272 HZ2 TRP 37 HZ2 TRP 37 4.104 23.866 3.321 273 HZ3 TRP 37 HZ3 TRP 37 1.192 22.046 0.790 274 HH2 TRP 37 HH2 TRP 37 1.780 23.615 2.565 275 H ALA 38 H ALA 38 3.177 18.189 -0.813 276 HA ALA 38 HA ALA 38 1.961 19.063 1.632 277 HB1 ALA 38 1HB ALA 38 1.114 18.518 -1.082 278 HB2 ALA 38 2HB ALA 38 -0.033 17.893 0.103 279 HB3 ALA 38 3HB ALA 38 0.415 19.599 0.122 280 H ILE 39 H ILE 39 2.352 15.958 -0.023 281 HA ILE 39 HA ILE 39 0.769 14.391 1.662 282 HB ILE 39 HB ILE 39 3.252 13.627 0.123 283 HG12 ILE 39 2HG1 ILE 39 0.502 12.803 -0.665 284 HG13 ILE 39 3HG1 ILE 39 0.947 14.485 -0.929 285 HG21 ILE 39 1HG2 ILE 39 1.804 11.341 0.364 286 HG22 ILE 39 2HG2 ILE 39 3.178 11.772 1.381 287 HG23 ILE 39 3HG2 ILE 39 1.536 12.093 1.937 288 HD11 ILE 39 1HD1 ILE 39 1.556 12.224 -2.514 289 HD12 ILE 39 2HD1 ILE 39 1.980 13.913 -2.792 290 HD13 ILE 39 3HD1 ILE 39 3.068 12.869 -1.877 291 H ARG 40 H ARG 40 4.286 14.960 1.790 292 HA ARG 40 HA ARG 40 4.701 13.517 4.181 293 HB2 ARG 40 2HB ARG 40 6.878 14.712 4.261 294 HB3 ARG 40 3HB ARG 40 6.550 13.972 2.699 295 HG2 ARG 40 2HG ARG 40 5.571 16.400 2.210 296 HG3 ARG 40 3HG ARG 40 6.757 16.824 3.446 297 HD2 ARG 40 2HD ARG 40 8.141 15.090 1.816 298 HD3 ARG 40 3HD ARG 40 7.147 15.998 0.679 299 HE ARG 40 HE ARG 40 8.393 17.876 1.127 300 HH11 ARG 40 1HH1 ARG 40 9.101 15.412 3.483 301 HH12 ARG 40 2HH1 ARG 40 10.449 16.265 4.161 302 HH21 ARG 40 1HH2 ARG 40 10.166 19.007 2.010 303 HH22 ARG 40 2HH2 ARG 40 11.053 18.310 3.322 304 H MET 41 H MET 41 4.139 16.954 3.534 305 HA MET 41 HA MET 41 4.520 17.910 6.135 306 HB2 MET 41 2HB MET 41 4.391 19.447 4.291 307 HB3 MET 41 3HB MET 41 2.760 18.921 3.900 308 HG2 MET 41 2HG MET 41 1.903 20.446 5.245 309 HG3 MET 41 3HG MET 41 2.822 19.807 6.607 310 HE1 MET 41 1HE MET 41 5.467 20.048 6.374 311 HE2 MET 41 2HE MET 41 6.211 21.638 6.207 312 HE3 MET 41 3HE MET 41 5.169 21.292 7.589 313 H ALA 42 H ALA 42 1.510 16.932 4.501 314 HA ALA 42 HA ALA 42 -0.220 17.363 6.653 315 HB1 ALA 42 1HB ALA 42 -1.592 15.508 5.451 316 HB2 ALA 42 2HB ALA 42 -1.309 17.051 4.643 317 HB3 ALA 42 3HB ALA 42 -0.339 15.641 4.216 318 H ASN 43 H ASN 43 1.794 14.599 5.829 319 HA ASN 43 HA ASN 43 0.714 12.732 7.614 320 HB2 ASN 43 2HB ASN 43 3.486 13.051 6.466 321 HB3 ASN 43 3HB ASN 43 3.045 11.700 7.505 322 HD21 ASN 43 1HD2 ASN 43 3.888 10.894 5.222 323 HD22 ASN 43 2HD2 ASN 43 2.620 10.448 4.137 324 H VAL 44 H VAL 44 3.484 14.932 8.038 325 HA VAL 44 HA VAL 44 4.076 14.236 10.683 326 HB VAL 44 HB VAL 44 4.466 16.946 9.406 327 HG11 VAL 44 1HG1 VAL 44 5.592 15.614 11.842 328 HG12 VAL 44 2HG1 VAL 44 6.490 16.880 11.000 329 HG13 VAL 44 3HG1 VAL 44 4.897 17.227 11.676 330 HG21 VAL 44 1HG2 VAL 44 6.856 15.448 9.420 331 HG22 VAL 44 2HG2 VAL 44 5.602 14.410 8.741 332 HG23 VAL 44 3HG2 VAL 44 5.920 15.990 8.025 333 H SER 45 H SER 45 1.780 16.545 9.351 334 HA SER 45 HA SER 45 1.137 17.896 11.727 335 HB2 SER 45 2HB SER 45 -0.644 17.356 9.337 336 HB3 SER 45 3HB SER 45 -0.911 18.592 10.567 337 HG SER 45 HG SER 45 1.253 19.377 9.897 338 H THR 46 H THR 46 0.157 14.803 10.472 339 HA THR 46 HA THR 46 -1.810 14.505 12.634 340 HB THR 46 HB THR 46 -2.338 12.325 11.314 341 HG1 THR 46 HG1 THR 46 -0.482 12.570 9.909 342 HG21 THR 46 1HG2 THR 46 -3.189 15.075 10.986 343 HG22 THR 46 2HG2 THR 46 -4.148 13.596 11.003 344 HG23 THR 46 3HG2 THR 46 -3.405 14.147 9.502 345 H GLY 47 H GLY 47 1.175 14.326 12.868 346 HA2 GLY 47 2HA GLY 47 2.747 13.005 13.896 347 HA3 GLY 47 3HA GLY 47 1.377 12.320 14.758 348 H ARG 48 H ARG 48 1.663 12.071 11.292 349 HA ARG 48 HA ARG 48 1.839 9.168 11.562 350 HB2 ARG 48 2HB ARG 48 1.005 11.020 9.351 351 HB3 ARG 48 3HB ARG 48 1.423 9.348 8.999 352 HG2 ARG 48 2HG ARG 48 -0.420 9.555 11.223 353 HG3 ARG 48 3HG ARG 48 -1.053 10.308 9.757 354 HD2 ARG 48 2HD ARG 48 -1.165 8.337 8.631 355 HD3 ARG 48 3HD ARG 48 0.240 7.662 9.456 356 HE ARG 48 HE ARG 48 -2.510 7.410 10.234 357 HH11 ARG 48 1HH1 ARG 48 0.783 7.406 11.363 358 HH12 ARG 48 2HH1 ARG 48 0.439 6.444 12.763 359 HH21 ARG 48 1HH2 ARG 48 -2.976 6.144 12.074 360 HH22 ARG 48 2HH2 ARG 48 -1.699 5.727 13.165 361 H GLU 49 H GLU 49 3.483 7.944 10.747 362 HA GLU 49 HA GLU 49 6.049 8.947 10.630 363 HB2 GLU 49 2HB GLU 49 6.564 6.798 9.331 364 HB3 GLU 49 3HB GLU 49 5.854 6.629 10.930 365 HG2 GLU 49 2HG GLU 49 4.000 5.668 10.142 366 HG3 GLU 49 3HG GLU 49 3.892 6.772 8.772 367 HA PRO 50 HA PRO 50 6.633 10.814 6.702 368 HB2 PRO 50 2HB PRO 50 9.191 10.109 6.132 369 HB3 PRO 50 3HB PRO 50 8.776 11.297 7.374 370 HG2 PRO 50 2HG PRO 50 9.473 8.401 7.681 371 HG3 PRO 50 3HG PRO 50 10.002 9.788 8.650 372 HD2 PRO 50 2HD PRO 50 8.030 8.116 9.455 373 HD3 PRO 50 3HD PRO 50 8.047 9.842 9.870 374 H GLY 51 H GLY 51 7.283 7.382 7.010 375 HA2 GLY 51 2HA GLY 51 7.317 6.980 4.132 376 HA3 GLY 51 3HA GLY 51 7.503 5.738 5.362 377 H ASP 52 H ASP 52 4.935 8.122 4.729 378 HA ASP 52 HA ASP 52 3.050 5.870 4.485 379 HB2 ASP 52 2HB ASP 52 3.068 7.716 6.528 380 HB3 ASP 52 3HB ASP 52 1.885 8.393 5.414 381 H ILE 53 H ILE 53 2.009 5.790 2.613 382 HA ILE 53 HA ILE 53 1.390 8.268 1.188 383 HB ILE 53 HB ILE 53 2.744 5.926 -0.154 384 HG12 ILE 53 2HG1 ILE 53 4.431 7.936 -0.598 385 HG13 ILE 53 3HG1 ILE 53 3.747 8.523 0.914 386 HG21 ILE 53 1HG2 ILE 53 1.430 8.398 -1.143 387 HG22 ILE 53 2HG2 ILE 53 2.874 7.833 -1.979 388 HG23 ILE 53 3HG2 ILE 53 1.467 6.779 -1.841 389 HD11 ILE 53 1HD1 ILE 53 5.031 7.148 2.071 390 HD12 ILE 53 2HD1 ILE 53 4.430 5.757 1.168 391 HD13 ILE 53 3HD1 ILE 53 5.812 6.671 0.564 392 HA PRO 54 HA PRO 54 -2.111 5.216 1.276 393 HB2 PRO 54 2HB PRO 54 -3.982 7.034 2.031 394 HB3 PRO 54 3HB PRO 54 -2.978 6.153 3.188 395 HG2 PRO 54 2HG PRO 54 -2.652 8.934 2.130 396 HG3 PRO 54 3HG PRO 54 -2.467 8.340 3.790 397 HD2 PRO 54 2HD PRO 54 -0.352 8.810 2.165 398 HD3 PRO 54 3HD PRO 54 -0.345 7.530 3.397 399 H GLU 55 H GLU 55 -3.435 4.864 -0.423 400 HA GLU 55 HA GLU 55 -3.931 7.099 -2.275 401 HB2 GLU 55 2HB GLU 55 -3.286 4.244 -3.033 402 HB3 GLU 55 3HB GLU 55 -3.695 5.534 -4.156 403 HG2 GLU 55 2HG GLU 55 -1.685 6.772 -3.301 404 HG3 GLU 55 3HG GLU 55 -1.243 5.301 -2.436 405 H THR 56 H THR 56 -5.804 6.697 -0.466 406 HA THR 56 HA THR 56 -7.999 5.579 -2.017 407 HB THR 56 HB THR 56 -8.893 4.249 -0.196 408 HG1 THR 56 HG1 THR 56 -8.038 4.271 1.778 409 HG21 THR 56 1HG2 THR 56 -7.242 2.453 -0.137 410 HG22 THR 56 2HG2 THR 56 -5.991 3.567 -0.686 411 HG23 THR 56 3HG2 THR 56 -7.334 3.155 -1.750 412 H LEU 57 H LEU 57 -9.838 6.727 -1.796 413 HA LEU 57 HA LEU 57 -9.878 9.247 -0.677 414 HB2 LEU 57 2HB LEU 57 -11.483 8.509 -2.341 415 HB3 LEU 57 3HB LEU 57 -12.197 7.388 -1.183 416 HG LEU 57 HG LEU 57 -12.450 9.800 0.100 417 HD11 LEU 57 1HD1 LEU 57 -13.079 10.278 -2.807 418 HD12 LEU 57 2HD1 LEU 57 -11.673 10.937 -1.970 419 HD13 LEU 57 3HD1 LEU 57 -13.298 11.401 -1.465 420 HD21 LEU 57 1HD2 LEU 57 -14.832 9.542 -1.209 421 HD22 LEU 57 2HD2 LEU 57 -14.372 8.660 0.248 422 HD23 LEU 57 3HD2 LEU 57 -14.164 7.915 -1.338 423 H ASP 58 H ASP 58 -10.614 6.168 0.802 424 HA ASP 58 HA ASP 58 -11.871 7.197 3.134 425 HB2 ASP 58 2HB ASP 58 -11.968 4.805 2.233 426 HB3 ASP 58 3HB ASP 58 -10.384 4.580 2.970 427 H GLN 59 H GLN 59 -8.550 6.176 2.413 428 HA GLN 59 HA GLN 59 -7.493 6.575 4.981 429 HB2 GLN 59 2HB GLN 59 -6.321 6.459 2.230 430 HB3 GLN 59 3HB GLN 59 -5.308 6.957 3.578 431 HG2 GLN 59 2HG GLN 59 -5.808 4.855 4.726 432 HG3 GLN 59 3HG GLN 59 -6.808 4.356 3.362 433 HE21 GLN 59 1HE2 GLN 59 -5.576 4.594 1.192 434 HE22 GLN 59 2HE2 GLN 59 -3.989 3.912 1.177 435 H LEU 60 H LEU 60 -7.497 8.733 2.149 436 HA LEU 60 HA LEU 60 -6.254 10.902 3.467 437 HB2 LEU 60 2HB LEU 60 -8.100 11.002 1.089 438 HB3 LEU 60 3HB LEU 60 -6.927 12.228 1.566 439 HG LEU 60 HG LEU 60 -5.565 9.748 1.181 440 HD11 LEU 60 1HD1 LEU 60 -7.779 9.645 -0.339 441 HD12 LEU 60 2HD1 LEU 60 -6.231 8.947 -0.816 442 HD13 LEU 60 3HD1 LEU 60 -6.705 10.534 -1.419 443 HD21 LEU 60 1HD2 LEU 60 -4.342 11.712 0.968 444 HD22 LEU 60 2HD2 LEU 60 -5.556 12.475 -0.058 445 HD23 LEU 60 3HD2 LEU 60 -4.543 11.181 -0.701 446 H ARG 61 H ARG 61 -9.556 9.820 3.252 447 HA ARG 61 HA ARG 61 -10.867 12.190 3.995 448 HB2 ARG 61 2HB ARG 61 -12.158 10.382 3.115 449 HB3 ARG 61 3HB ARG 61 -11.598 9.289 4.373 450 HG2 ARG 61 2HG ARG 61 -12.873 11.577 5.547 451 HG3 ARG 61 3HG ARG 61 -13.934 10.821 4.355 452 HD2 ARG 61 2HD ARG 61 -12.497 9.061 6.272 453 HD3 ARG 61 3HD ARG 61 -13.853 10.011 6.877 454 HE ARG 61 HE ARG 61 -14.785 8.809 4.599 455 HH11 ARG 61 1HH1 ARG 61 -13.389 7.725 7.598 456 HH12 ARG 61 2HH1 ARG 61 -14.246 6.219 7.604 457 HH21 ARG 61 1HH2 ARG 61 -15.919 6.830 4.595 458 HH22 ARG 61 2HH2 ARG 61 -15.684 5.711 5.894 459 H LEU 62 H LEU 62 -9.747 9.458 5.985 460 HA LEU 62 HA LEU 62 -10.530 10.574 8.457 461 HB2 LEU 62 2HB LEU 62 -10.083 8.199 8.168 462 HB3 LEU 62 3HB LEU 62 -8.387 8.545 7.837 463 HG LEU 62 HG LEU 62 -8.041 9.257 10.116 464 HD11 LEU 62 1HD1 LEU 62 -10.243 8.591 11.574 465 HD12 LEU 62 2HD1 LEU 62 -10.965 9.322 10.142 466 HD13 LEU 62 3HD1 LEU 62 -9.797 10.230 11.102 467 HD21 LEU 62 1HD2 LEU 62 -8.026 6.804 9.477 468 HD22 LEU 62 2HD2 LEU 62 -9.613 6.697 10.238 469 HD23 LEU 62 3HD2 LEU 62 -8.207 7.168 11.193 470 H VAL 63 H VAL 63 -7.458 10.612 6.693 471 HA VAL 63 HA VAL 63 -5.934 11.931 8.653 472 HB VAL 63 HB VAL 63 -5.575 12.061 5.655 473 HG11 VAL 63 1HG1 VAL 63 -3.093 12.143 6.801 474 HG12 VAL 63 2HG1 VAL 63 -3.993 13.543 6.214 475 HG13 VAL 63 3HG1 VAL 63 -4.055 13.105 7.922 476 HG21 VAL 63 1HG2 VAL 63 -4.927 9.936 5.691 477 HG22 VAL 63 2HG2 VAL 63 -3.778 10.273 6.987 478 HG23 VAL 63 3HG2 VAL 63 -5.442 9.836 7.376 479 H ILE 64 H ILE 64 -7.528 13.251 5.745 480 HA ILE 64 HA ILE 64 -6.951 15.945 6.277 481 HB ILE 64 HB ILE 64 -9.259 14.770 4.722 482 HG12 ILE 64 2HG1 ILE 64 -6.779 16.008 3.563 483 HG13 ILE 64 3HG1 ILE 64 -6.781 14.320 4.062 484 HG21 ILE 64 1HG2 ILE 64 -10.043 16.870 4.792 485 HG22 ILE 64 2HG2 ILE 64 -8.505 17.529 5.347 486 HG23 ILE 64 3HG2 ILE 64 -8.760 17.216 3.630 487 HD11 ILE 64 1HD1 ILE 64 -7.382 15.097 1.596 488 HD12 ILE 64 2HD1 ILE 64 -8.105 13.676 2.348 489 HD13 ILE 64 3HD1 ILE 64 -8.991 15.200 2.310 490 H CYS 65 H CYS 65 -9.354 13.814 7.564 491 HA CYS 65 HA CYS 65 -11.203 15.761 8.463 492 HB2 CYS 65 2HB CYS 65 -11.813 13.402 8.262 493 HB3 CYS 65 3HB CYS 65 -10.649 12.979 9.511 494 HG CYS 65 HG CYS 65 -13.738 14.265 9.809 495 H ASP 66 H ASP 66 -8.670 13.962 10.210 496 HA ASP 66 HA ASP 66 -8.962 15.487 12.596 497 HB2 ASP 66 2HB ASP 66 -6.774 13.635 11.639 498 HB3 ASP 66 3HB ASP 66 -6.793 14.378 13.237 499 H LEU 67 H LEU 67 -7.158 15.887 9.673 500 HA LEU 67 HA LEU 67 -5.209 17.700 10.709 501 HB2 LEU 67 2HB LEU 67 -5.947 16.578 8.124 502 HB3 LEU 67 3HB LEU 67 -5.425 18.257 8.020 503 HG LEU 67 HG LEU 67 -3.680 16.453 9.577 504 HD11 LEU 67 1HD1 LEU 67 -2.866 15.186 7.861 505 HD12 LEU 67 2HD1 LEU 67 -3.392 16.323 6.620 506 HD13 LEU 67 3HD1 LEU 67 -4.567 15.265 7.401 507 HD21 LEU 67 1HD2 LEU 67 -2.051 17.744 7.971 508 HD22 LEU 67 2HD2 LEU 67 -2.768 18.544 9.369 509 HD23 LEU 67 3HD2 LEU 67 -3.446 18.802 7.760 510 H GLN 68 H GLN 68 -8.407 18.019 9.307 511 HA GLN 68 HA GLN 68 -8.272 20.867 9.017 512 HB2 GLN 68 2HB GLN 68 -9.863 19.002 7.919 513 HB3 GLN 68 3HB GLN 68 -10.908 19.522 9.234 514 HG2 GLN 68 2HG GLN 68 -9.867 21.110 6.923 515 HG3 GLN 68 3HG GLN 68 -11.534 20.853 7.433 516 HE21 GLN 68 1HE2 GLN 68 -9.263 23.119 7.217 517 HE22 GLN 68 2HE2 GLN 68 -9.690 24.133 8.550 518 H GLU 69 H GLU 69 -9.861 18.668 11.317 519 HA GLU 69 HA GLU 69 -11.006 20.656 12.935 520 HB2 GLU 69 2HB GLU 69 -11.706 18.323 13.056 521 HB3 GLU 69 3HB GLU 69 -10.122 17.856 13.657 522 HG2 GLU 69 2HG GLU 69 -10.474 19.021 15.707 523 HG3 GLU 69 3HG GLU 69 -11.960 19.748 15.098 524 H ARG 70 H ARG 70 -7.906 18.947 13.192 525 HA ARG 70 HA ARG 70 -7.061 20.135 15.595 526 HB2 ARG 70 2HB ARG 70 -5.576 18.873 13.301 527 HB3 ARG 70 3HB ARG 70 -4.730 19.540 14.690 528 HG2 ARG 70 2HG ARG 70 -5.784 17.990 16.168 529 HG3 ARG 70 3HG ARG 70 -6.860 17.426 14.888 530 HD2 ARG 70 2HD ARG 70 -5.230 16.188 13.873 531 HD3 ARG 70 3HD ARG 70 -3.933 17.251 14.420 532 HE ARG 70 HE ARG 70 -3.670 15.888 16.225 533 HH11 ARG 70 1HH1 ARG 70 -6.876 15.423 14.951 534 HH12 ARG 70 2HH1 ARG 70 -7.265 14.137 16.045 535 HH21 ARG 70 1HH2 ARG 70 -4.170 14.196 17.672 536 HH22 ARG 70 2HH2 ARG 70 -5.726 13.440 17.592 537 H ARG 71 H ARG 71 -6.106 20.921 12.247 538 HA ARG 71 HA ARG 71 -4.622 23.206 12.864 539 HB2 ARG 71 2HB ARG 71 -4.622 21.998 10.672 540 HB3 ARG 71 3HB ARG 71 -6.188 22.718 10.327 541 HG2 ARG 71 2HG ARG 71 -4.341 23.904 9.234 542 HG3 ARG 71 3HG ARG 71 -5.225 24.930 10.364 543 HD2 ARG 71 2HD ARG 71 -3.038 23.560 11.667 544 HD3 ARG 71 3HD ARG 71 -2.476 24.497 10.283 545 HE ARG 71 HE ARG 71 -4.241 26.030 11.885 546 HH11 ARG 71 1HH1 ARG 71 -0.990 24.787 11.784 547 HH12 ARG 71 2HH1 ARG 71 -0.336 26.054 12.770 548 HH21 ARG 71 1HH2 ARG 71 -3.392 27.701 13.184 549 HH22 ARG 71 2HH2 ARG 71 -1.704 27.710 13.567 550 H GLU 72 H GLU 72 -8.065 22.765 12.336 551 HA GLU 72 HA GLU 72 -8.848 25.418 12.012 552 HB2 GLU 72 2HB GLU 72 -10.424 23.648 11.634 553 HB3 GLU 72 3HB GLU 72 -10.279 23.090 13.295 554 HG2 GLU 72 2HG GLU 72 -11.215 25.868 12.793 555 HG3 GLU 72 3HG GLU 72 -12.325 24.526 12.518 556 H LYS 73 H LYS 73 -8.751 23.517 15.027 557 HA LYS 73 HA LYS 73 -9.363 25.705 16.712 558 HB2 LYS 73 2HB LYS 73 -8.923 22.919 17.001 559 HB3 LYS 73 3HB LYS 73 -7.824 23.732 18.109 560 HG2 LYS 73 2HG LYS 73 -9.477 24.365 19.474 561 HG3 LYS 73 3HG LYS 73 -10.548 24.795 18.139 562 HD2 LYS 73 2HD LYS 73 -11.296 22.578 17.888 563 HD3 LYS 73 3HD LYS 73 -9.972 21.935 18.862 564 HE2 LYS 73 2HE LYS 73 -12.161 21.960 20.036 565 HE3 LYS 73 3HE LYS 73 -10.903 22.882 20.859 566 HZ1 LYS 73 1HZ LYS 73 -11.856 24.894 20.205 567 HZ2 LYS 73 2HZ LYS 73 -13.179 23.946 20.665 568 HZ3 LYS 73 3HZ LYS 73 -12.831 24.173 19.025 569 H PHE 74 H PHE 74 -6.443 24.620 15.235 570 HA PHE 74 HA PHE 74 -4.696 26.026 17.055 571 HB2 PHE 74 2HB PHE 74 -4.293 23.908 15.424 572 HB3 PHE 74 3HB PHE 74 -3.679 25.201 14.399 573 HD1 PHE 74 HD1 PHE 74 -1.987 26.829 15.519 574 HD2 PHE 74 HD2 PHE 74 -2.902 22.939 16.985 575 HE1 PHE 74 HE1 PHE 74 0.144 26.794 16.750 576 HE2 PHE 74 HE2 PHE 74 -0.774 22.899 18.219 577 HZ PHE 74 HZ PHE 74 0.752 24.828 18.103 578 H GLY 75 H GLY 75 -6.511 26.768 14.251 579 HA2 GLY 75 2HA GLY 75 -6.853 29.101 13.709 580 HA3 GLY 75 3HA GLY 75 -5.165 29.388 14.108 581 H SER 76 H SER 76 -5.218 30.476 11.980 582 HA SER 76 HA SER 76 -5.476 28.879 9.614 583 HB2 SER 76 2HB SER 76 -5.647 31.539 10.064 584 HB3 SER 76 3HB SER 76 -3.992 31.439 9.463 585 HG SER 76 HG SER 76 -4.980 31.485 7.595 586 H SER 77 H SER 77 -3.755 28.525 8.058 587 HA SER 77 HA SER 77 -1.033 28.854 8.591 588 HB2 SER 77 2HB SER 77 -0.870 27.342 10.301 589 HB3 SER 77 3HB SER 77 -2.280 26.426 9.767 590 HG SER 77 HG SER 77 0.354 26.342 8.732 591 H LYS 78 H LYS 78 -0.569 29.125 6.500 592 HA LYS 78 HA LYS 78 -1.798 27.833 4.345 593 HB2 LYS 78 2HB LYS 78 0.455 29.637 4.748 594 HB3 LYS 78 3HB LYS 78 0.734 28.508 3.429 595 HG2 LYS 78 2HG LYS 78 -0.275 30.203 2.296 596 HG3 LYS 78 3HG LYS 78 -1.694 29.245 2.728 597 HD2 LYS 78 2HD LYS 78 -1.652 30.763 4.879 598 HD3 LYS 78 3HD LYS 78 -0.750 31.853 3.823 599 HE2 LYS 78 2HE LYS 78 -3.328 30.640 2.907 600 HE3 LYS 78 3HE LYS 78 -3.334 32.053 3.962 601 HZ1 LYS 78 1HZ LYS 78 -3.274 33.111 1.985 602 HZ2 LYS 78 2HZ LYS 78 -2.543 31.822 1.170 603 HZ3 LYS 78 3HZ LYS 78 -1.608 32.856 2.128 604 H GLU 79 H GLU 79 0.652 26.760 6.494 605 HA GLU 79 HA GLU 79 1.943 24.877 4.822 606 HB2 GLU 79 2HB GLU 79 1.862 25.496 7.698 607 HB3 GLU 79 3HB GLU 79 2.203 23.813 7.322 608 HG2 GLU 79 2HG GLU 79 4.302 24.781 7.450 609 HG3 GLU 79 3HG GLU 79 3.975 24.733 5.718 610 H ILE 80 H ILE 80 -0.313 24.221 7.507 611 HA ILE 80 HA ILE 80 -0.865 21.580 6.616 612 HB ILE 80 HB ILE 80 -2.372 23.311 8.580 613 HG12 ILE 80 2HG1 ILE 80 -0.321 21.126 9.007 614 HG13 ILE 80 3HG1 ILE 80 -0.043 22.850 9.226 615 HG21 ILE 80 1HG2 ILE 80 -3.938 21.739 8.610 616 HG22 ILE 80 2HG2 ILE 80 -3.054 20.795 7.412 617 HG23 ILE 80 3HG2 ILE 80 -2.725 20.570 9.130 618 HD11 ILE 80 1HD1 ILE 80 -2.312 21.947 10.760 619 HD12 ILE 80 2HD1 ILE 80 -0.853 21.035 11.150 620 HD13 ILE 80 3HD1 ILE 80 -0.857 22.794 11.283 621 H ASP 81 H ASP 81 -2.506 24.676 6.255 622 HA ASP 81 HA ASP 81 -4.950 23.828 5.256 623 HB2 ASP 81 2HB ASP 81 -4.555 26.154 5.803 624 HB3 ASP 81 3HB ASP 81 -3.337 26.283 4.536 625 H MET 82 H MET 82 -1.940 24.496 3.487 626 HA MET 82 HA MET 82 -2.980 23.890 0.928 627 HB2 MET 82 2HB MET 82 -0.199 24.074 2.052 628 HB3 MET 82 3HB MET 82 -0.471 23.559 0.392 629 HG2 MET 82 2HG MET 82 -1.905 25.995 1.084 630 HG3 MET 82 3HG MET 82 -0.157 26.141 1.250 631 HE1 MET 82 1HE MET 82 -0.228 27.801 -2.143 632 HE2 MET 82 2HE MET 82 -0.782 28.109 -0.498 633 HE3 MET 82 3HE MET 82 0.845 27.488 -0.779 634 H ALA 83 H ALA 83 -1.050 21.974 3.220 635 HA ALA 83 HA ALA 83 -0.776 19.656 1.728 636 HB1 ALA 83 1HB ALA 83 -0.076 20.430 4.251 637 HB2 ALA 83 2HB ALA 83 -1.266 19.169 4.569 638 HB3 ALA 83 3HB ALA 83 0.152 18.814 3.583 639 H ILE 84 H ILE 84 -3.452 20.665 3.814 640 HA ILE 84 HA ILE 84 -4.938 18.286 3.692 641 HB ILE 84 HB ILE 84 -5.886 21.129 4.057 642 HG12 ILE 84 2HG1 ILE 84 -5.757 19.068 6.220 643 HG13 ILE 84 3HG1 ILE 84 -4.270 19.866 5.721 644 HG21 ILE 84 1HG2 ILE 84 -7.370 18.683 3.689 645 HG22 ILE 84 2HG2 ILE 84 -7.690 19.389 5.272 646 HG23 ILE 84 3HG2 ILE 84 -7.952 20.343 3.811 647 HD11 ILE 84 1HD1 ILE 84 -6.724 21.384 6.540 648 HD12 ILE 84 2HD1 ILE 84 -5.481 20.873 7.684 649 HD13 ILE 84 3HD1 ILE 84 -5.072 21.979 6.373 650 H VAL 85 H VAL 85 -5.290 21.281 1.788 651 HA VAL 85 HA VAL 85 -7.336 20.415 0.109 652 HB VAL 85 HB VAL 85 -5.107 22.289 -0.688 653 HG11 VAL 85 1HG1 VAL 85 -6.318 21.959 -2.613 654 HG12 VAL 85 2HG1 VAL 85 -7.829 21.683 -1.745 655 HG13 VAL 85 3HG1 VAL 85 -7.186 23.318 -1.902 656 HG21 VAL 85 1HG2 VAL 85 -7.037 22.542 1.408 657 HG22 VAL 85 2HG2 VAL 85 -5.786 23.679 0.907 658 HG23 VAL 85 3HG2 VAL 85 -7.378 23.729 0.150 659 H THR 86 H THR 86 -3.895 19.817 -0.008 660 HA THR 86 HA THR 86 -3.718 18.906 -2.670 661 HB THR 86 HB THR 86 -2.037 18.314 -0.236 662 HG1 THR 86 HG1 THR 86 -1.874 20.422 -1.106 663 HG21 THR 86 1HG2 THR 86 -1.468 16.444 -1.417 664 HG22 THR 86 2HG2 THR 86 -0.404 17.602 -2.215 665 HG23 THR 86 3HG2 THR 86 -1.934 17.147 -2.966 666 H LEU 87 H LEU 87 -4.065 17.092 0.379 667 HA LEU 87 HA LEU 87 -4.252 14.549 -0.803 668 HB2 LEU 87 2HB LEU 87 -5.345 15.563 1.817 669 HB3 LEU 87 3HB LEU 87 -5.276 13.865 1.352 670 HG LEU 87 HG LEU 87 -2.943 15.703 1.875 671 HD11 LEU 87 1HD1 LEU 87 -3.647 13.142 3.272 672 HD12 LEU 87 2HD1 LEU 87 -4.272 14.703 3.803 673 HD13 LEU 87 3HD1 LEU 87 -2.533 14.409 3.785 674 HD21 LEU 87 1HD2 LEU 87 -3.126 13.297 0.278 675 HD22 LEU 87 2HD2 LEU 87 -2.019 13.095 1.636 676 HD23 LEU 87 3HD2 LEU 87 -1.776 14.412 0.488 677 H LYS 88 H LYS 88 -6.608 17.061 -0.262 678 HA LYS 88 HA LYS 88 -8.898 15.404 -0.743 679 HB2 LYS 88 2HB LYS 88 -8.599 18.413 -0.768 680 HB3 LYS 88 3HB LYS 88 -10.131 17.552 -0.839 681 HG2 LYS 88 2HG LYS 88 -9.877 16.728 1.364 682 HG3 LYS 88 3HG LYS 88 -8.189 17.242 1.433 683 HD2 LYS 88 2HD LYS 88 -8.769 19.273 2.141 684 HD3 LYS 88 3HD LYS 88 -9.914 19.468 0.811 685 HE2 LYS 88 2HE LYS 88 -11.681 18.901 2.086 686 HE3 LYS 88 3HE LYS 88 -10.789 17.643 2.940 687 HZ1 LYS 88 1HZ LYS 88 -11.520 20.050 3.967 688 HZ2 LYS 88 2HZ LYS 88 -9.888 20.284 3.592 689 HZ3 LYS 88 3HZ LYS 88 -10.347 19.018 4.616 690 H VAL 89 H VAL 89 -7.613 18.168 -2.600 691 HA VAL 89 HA VAL 89 -9.040 17.779 -4.923 692 HB VAL 89 HB VAL 89 -7.598 19.748 -4.452 693 HG11 VAL 89 1HG1 VAL 89 -5.632 18.144 -3.826 694 HG12 VAL 89 2HG1 VAL 89 -5.258 18.252 -5.547 695 HG13 VAL 89 3HG1 VAL 89 -5.299 19.713 -4.558 696 HG21 VAL 89 1HG2 VAL 89 -8.000 18.408 -6.956 697 HG22 VAL 89 2HG2 VAL 89 -7.990 20.137 -6.606 698 HG23 VAL 89 3HG2 VAL 89 -6.482 19.307 -6.993 699 H PHE 90 H PHE 90 -6.190 16.098 -3.794 700 HA PHE 90 HA PHE 90 -5.699 14.786 -6.313 701 HB2 PHE 90 2HB PHE 90 -3.847 15.277 -4.775 702 HB3 PHE 90 3HB PHE 90 -4.573 14.230 -3.560 703 HD1 PHE 90 HD1 PHE 90 -4.413 11.848 -3.717 704 HD2 PHE 90 HD2 PHE 90 -2.829 14.338 -6.784 705 HE1 PHE 90 HE1 PHE 90 -3.191 9.923 -4.644 706 HE2 PHE 90 HE2 PHE 90 -1.607 12.416 -7.717 707 HZ PHE 90 HZ PHE 90 -1.787 10.206 -6.647 708 H ALA 91 H ALA 91 -7.353 14.067 -3.311 709 HA ALA 91 HA ALA 91 -7.694 11.285 -3.757 710 HB1 ALA 91 1HB ALA 91 -9.468 11.480 -2.015 711 HB2 ALA 91 2HB ALA 91 -7.901 12.131 -1.533 712 HB3 ALA 91 3HB ALA 91 -9.201 13.223 -2.013 713 H VAL 92 H VAL 92 -9.808 14.090 -4.305 714 HA VAL 92 HA VAL 92 -11.933 12.551 -5.421 715 HB VAL 92 HB VAL 92 -11.438 15.503 -5.803 716 HG11 VAL 92 1HG1 VAL 92 -14.182 14.665 -5.529 717 HG12 VAL 92 2HG1 VAL 92 -13.407 15.561 -6.837 718 HG13 VAL 92 3HG1 VAL 92 -13.388 13.797 -6.842 719 HG21 VAL 92 1HG2 VAL 92 -13.038 15.699 -3.834 720 HG22 VAL 92 2HG2 VAL 92 -12.673 14.004 -3.509 721 HG23 VAL 92 3HG2 VAL 92 -11.384 15.206 -3.469 722 H ALA 93 H ALA 93 -9.475 14.695 -6.850 723 HA ALA 93 HA ALA 93 -10.241 14.110 -9.537 724 HB1 ALA 93 1HB ALA 93 -9.105 16.208 -8.805 725 HB2 ALA 93 2HB ALA 93 -7.626 15.271 -8.594 726 HB3 ALA 93 3HB ALA 93 -8.353 15.420 -10.193 727 H GLY 94 H GLY 94 -8.513 12.376 -7.221 728 HA2 GLY 94 2HA GLY 94 -7.005 10.887 -9.266 729 HA3 GLY 94 3HA GLY 94 -6.663 10.873 -7.543 730 H LEU 95 H LEU 95 -8.283 9.833 -6.137 731 HA LEU 95 HA LEU 95 -8.876 7.239 -7.005 732 HB2 LEU 95 2HB LEU 95 -9.794 8.870 -4.661 733 HB3 LEU 95 3HB LEU 95 -10.373 7.226 -4.922 734 HG LEU 95 HG LEU 95 -8.599 7.164 -3.320 735 HD11 LEU 95 1HD1 LEU 95 -8.591 5.734 -5.712 736 HD12 LEU 95 2HD1 LEU 95 -7.788 5.298 -4.203 737 HD13 LEU 95 3HD1 LEU 95 -6.910 6.195 -5.442 738 HD21 LEU 95 1HD2 LEU 95 -6.593 8.249 -3.473 739 HD22 LEU 95 2HD2 LEU 95 -7.618 9.379 -4.359 740 HD23 LEU 95 3HD2 LEU 95 -6.595 8.241 -5.237 741 H LEU 96 H LEU 96 -10.988 10.063 -6.588 742 HA LEU 96 HA LEU 96 -13.295 8.652 -7.586 743 HB2 LEU 96 2HB LEU 96 -12.885 10.913 -6.045 744 HB3 LEU 96 3HB LEU 96 -13.489 11.551 -7.573 745 HG LEU 96 HG LEU 96 -15.282 9.572 -7.104 746 HD11 LEU 96 1HD1 LEU 96 -15.869 9.447 -4.831 747 HD12 LEU 96 2HD1 LEU 96 -14.779 10.762 -4.392 748 HD13 LEU 96 3HD1 LEU 96 -14.123 9.199 -4.878 749 HD21 LEU 96 1HD2 LEU 96 -16.139 11.621 -7.700 750 HD22 LEU 96 2HD2 LEU 96 -15.214 12.488 -6.475 751 HD23 LEU 96 3HD2 LEU 96 -16.622 11.532 -6.007 752 H ASN 97 H ASN 97 -10.628 10.004 -9.027 753 HA ASN 97 HA ASN 97 -10.109 10.709 -11.132 754 HB2 ASN 97 2HB ASN 97 -11.339 8.338 -11.359 755 HB3 ASN 97 3HB ASN 97 -12.472 9.319 -12.284 756 HD21 ASN 97 1HD2 ASN 97 -9.087 8.400 -12.007 757 HD22 ASN 97 2HD2 ASN 97 -8.699 8.632 -13.675 758 H MET 98 H MET 98 -11.941 12.379 -9.593 759 HA MET 98 HA MET 98 -13.551 13.583 -11.739 760 HB2 MET 98 2HB MET 98 -14.553 12.895 -9.451 761 HB3 MET 98 3HB MET 98 -13.744 14.330 -8.834 762 HG2 MET 98 2HG MET 98 -15.463 15.552 -9.478 763 HG3 MET 98 3HG MET 98 -15.130 15.115 -11.153 764 HE1 MET 98 1HE MET 98 -16.723 13.809 -12.607 765 HE2 MET 98 2HE MET 98 -18.402 13.724 -12.075 766 HE3 MET 98 3HE MET 98 -17.532 15.258 -12.011 767 H THR 99 H THR 99 -11.632 14.536 -12.678 768 HA THR 99 HA THR 99 -9.826 16.212 -11.441 769 HB THR 99 HB THR 99 -10.457 17.377 -13.967 770 HG1 THR 99 HG1 THR 99 -10.094 14.599 -14.273 771 HG21 THR 99 1HG2 THR 99 -8.257 16.790 -14.501 772 HG22 THR 99 2HG2 THR 99 -8.291 15.356 -13.476 773 HG23 THR 99 3HG2 THR 99 -8.227 16.961 -12.747 774 H VAL 100 H VAL 100 -10.454 17.710 -9.992 775 HA VAL 100 HA VAL 100 -12.798 19.309 -10.283 776 HB VAL 100 HB VAL 100 -11.998 20.531 -8.320 777 HG11 VAL 100 1HG1 VAL 100 -12.965 18.090 -8.306 778 HG12 VAL 100 2HG1 VAL 100 -11.359 17.689 -7.692 779 HG13 VAL 100 3HG1 VAL 100 -12.376 18.837 -6.821 780 HG21 VAL 100 1HG2 VAL 100 -9.875 20.023 -7.278 781 HG22 VAL 100 2HG2 VAL 100 -9.505 18.844 -8.537 782 HG23 VAL 100 3HG2 VAL 100 -9.606 20.558 -8.936 783 H SER 101 H SER 101 -12.676 21.741 -10.168 784 HA SER 101 HA SER 101 -11.077 22.673 -12.394 785 HB2 SER 101 2HB SER 101 -13.327 23.828 -10.773 786 HB3 SER 101 3HB SER 101 -12.357 24.871 -11.813 787 HG SER 101 HG SER 101 -12.977 23.658 -13.577 788 H THR 102 H THR 102 -11.353 23.278 -8.926 789 HA THR 102 HA THR 102 -8.664 24.413 -8.948 790 HB THR 102 HB THR 102 -9.214 26.378 -7.729 791 HG1 THR 102 HG1 THR 102 -11.738 25.139 -7.458 792 HG21 THR 102 1HG2 THR 102 -10.704 27.580 -9.256 793 HG22 THR 102 2HG2 THR 102 -11.259 26.047 -9.928 794 HG23 THR 102 3HG2 THR 102 -9.584 26.549 -10.145 795 H ALA 103 H ALA 103 -7.599 24.325 -6.927 796 HA ALA 103 HA ALA 103 -8.019 22.069 -5.397 797 HB1 ALA 103 1HB ALA 103 -6.048 22.680 -4.590 798 HB2 ALA 103 2HB ALA 103 -6.213 24.241 -5.395 799 HB3 ALA 103 3HB ALA 103 -6.793 24.037 -3.742 800 H ALA 104 H ALA 104 -9.239 25.339 -4.889 801 HA ALA 104 HA ALA 104 -10.298 24.952 -2.310 802 HB1 ALA 104 1HB ALA 104 -11.221 26.848 -4.465 803 HB2 ALA 104 2HB ALA 104 -11.630 26.951 -2.753 804 HB3 ALA 104 3HB ALA 104 -9.961 27.167 -3.275 805 H ALA 105 H ALA 105 -11.824 24.713 -5.516 806 HA ALA 105 HA ALA 105 -14.407 24.099 -4.714 807 HB1 ALA 105 1HB ALA 105 -13.024 22.963 -7.137 808 HB2 ALA 105 2HB ALA 105 -14.755 23.211 -6.911 809 HB3 ALA 105 3HB ALA 105 -13.675 24.599 -7.041 810 H ALA 106 H ALA 106 -11.614 21.975 -5.113 811 HA ALA 106 HA ALA 106 -12.957 19.525 -4.778 812 HB1 ALA 106 1HB ALA 106 -10.307 19.384 -3.705 813 HB2 ALA 106 2HB ALA 106 -10.935 18.724 -5.215 814 HB3 ALA 106 3HB ALA 106 -10.305 20.371 -5.167 815 H GLU 107 H GLU 107 -11.157 21.504 -2.419 816 HA GLU 107 HA GLU 107 -11.592 19.912 -0.179 817 HB2 GLU 107 2HB GLU 107 -10.001 21.698 -0.073 818 HB3 GLU 107 3HB GLU 107 -11.234 22.898 -0.433 819 HG2 GLU 107 2HG GLU 107 -12.135 22.805 1.690 820 HG3 GLU 107 3HG GLU 107 -11.468 21.207 2.014 821 H ASN 108 H ASN 108 -13.546 22.593 -1.447 822 HA ASN 108 HA ASN 108 -15.469 22.697 0.558 823 HB2 ASN 108 2HB ASN 108 -15.131 24.250 -1.470 824 HB3 ASN 108 3HB ASN 108 -16.141 23.106 -2.350 825 HD21 ASN 108 1HD2 ASN 108 -16.055 25.165 0.512 826 HD22 ASN 108 2HD2 ASN 108 -17.754 25.476 0.557 827 H MET 109 H MET 109 -15.344 20.675 -2.348 828 HA MET 109 HA MET 109 -17.871 19.441 -1.902 829 HB2 MET 109 2HB MET 109 -15.719 19.267 -3.845 830 HB3 MET 109 3HB MET 109 -16.360 17.678 -3.446 831 HG2 MET 109 2HG MET 109 -18.116 19.984 -4.230 832 HG3 MET 109 3HG MET 109 -17.415 18.872 -5.403 833 HE1 MET 109 1HE MET 109 -17.431 16.479 -5.116 834 HE2 MET 109 2HE MET 109 -18.120 15.701 -3.691 835 HE3 MET 109 3HE MET 109 -19.022 15.722 -5.208 836 H TYR 110 H TYR 110 -14.528 18.541 -1.174 837 HA TYR 110 HA TYR 110 -14.889 15.947 -0.303 838 HB2 TYR 110 2HB TYR 110 -12.749 17.506 -0.466 839 HB3 TYR 110 3HB TYR 110 -13.053 17.710 1.256 840 HD1 TYR 110 HD1 TYR 110 -12.219 16.148 2.762 841 HD2 TYR 110 HD2 TYR 110 -12.617 15.061 -1.331 842 HE1 TYR 110 HE1 TYR 110 -11.070 14.022 3.221 843 HE2 TYR 110 HE2 TYR 110 -11.469 12.932 -0.884 844 HH TYR 110 HH TYR 110 -11.174 11.432 1.337 845 H SER 111 H SER 111 -15.402 18.967 1.455 846 HA SER 111 HA SER 111 -16.102 17.606 3.902 847 HB2 SER 111 2HB SER 111 -15.958 19.648 4.889 848 HB3 SER 111 3HB SER 111 -15.132 20.091 3.395 849 HG SER 111 HG SER 111 -16.984 21.444 4.144 850 H GLN 112 H GLN 112 -17.771 19.149 1.223 851 HA GLN 112 HA GLN 112 -20.344 19.257 2.327 852 HB2 GLN 112 2HB GLN 112 -19.561 20.352 0.193 853 HB3 GLN 112 3HB GLN 112 -19.694 18.778 -0.581 854 HG2 GLN 112 2HG GLN 112 -21.667 19.968 -1.093 855 HG3 GLN 112 3HG GLN 112 -22.103 18.749 0.103 856 HE21 GLN 112 1HE2 GLN 112 -21.563 22.146 -0.465 857 HE22 GLN 112 2HE2 GLN 112 -22.376 22.715 0.949 858 H MET 113 H MET 113 -18.564 16.642 0.822 859 HA MET 113 HA MET 113 -20.846 14.899 0.637 860 HB2 MET 113 2HB MET 113 -18.244 14.945 -0.427 861 HB3 MET 113 3HB MET 113 -18.321 13.504 0.579 862 HG2 MET 113 2HG MET 113 -20.406 12.864 -0.630 863 HG3 MET 113 3HG MET 113 -20.122 14.221 -1.718 864 HE1 MET 113 1HE MET 113 -20.498 11.117 -1.753 865 HE2 MET 113 2HE MET 113 -19.607 10.642 -3.199 866 HE3 MET 113 3HE MET 113 -19.014 10.173 -1.604 867 H GLY 114 H GLY 114 -18.543 15.733 3.047 868 HA2 GLY 114 2HA GLY 114 -18.967 15.169 5.341 869 HA3 GLY 114 3HA GLY 114 -19.681 13.659 4.797 870 H LEU 115 H LEU 115 -16.694 14.775 3.421 871 HA LEU 115 HA LEU 115 -15.331 12.493 4.650 872 HB2 LEU 115 2HB LEU 115 -14.311 14.238 2.424 873 HB3 LEU 115 3HB LEU 115 -13.741 12.637 2.893 874 HG LEU 115 HG LEU 115 -16.526 12.555 2.141 875 HD11 LEU 115 1HD1 LEU 115 -16.375 14.243 0.610 876 HD12 LEU 115 2HD1 LEU 115 -15.801 12.894 -0.368 877 HD13 LEU 115 3HD1 LEU 115 -14.645 14.011 0.356 878 HD21 LEU 115 1HD2 LEU 115 -13.969 11.191 1.484 879 HD22 LEU 115 2HD2 LEU 115 -15.321 11.008 0.365 880 HD23 LEU 115 3HD2 LEU 115 -15.499 10.520 2.051 881 H ASP 116 H ASP 116 -15.388 15.946 4.623 882 HA ASP 116 HA ASP 116 -13.011 15.984 6.365 883 HB2 ASP 116 2HB ASP 116 -12.350 17.200 4.473 884 HB3 ASP 116 3HB ASP 116 -13.938 17.935 4.277 885 H THR 117 H THR 117 -13.408 16.519 8.399 886 HA THR 117 HA THR 117 -15.890 17.094 9.457 887 HB THR 117 HB THR 117 -14.189 18.339 11.239 888 HG1 THR 117 HG1 THR 117 -12.221 17.583 10.969 889 HG21 THR 117 1HG2 THR 117 -15.162 15.532 10.891 890 HG22 THR 117 2HG2 THR 117 -15.622 16.736 12.095 891 HG23 THR 117 3HG2 THR 117 -14.062 15.921 12.213 892 H ARG 118 H ARG 118 -13.267 19.504 9.441 893 HA ARG 118 HA ARG 118 -13.291 21.772 9.259 894 HB2 ARG 118 2HB ARG 118 -14.285 20.907 6.977 895 HB3 ARG 118 3HB ARG 118 -15.761 21.646 7.581 896 HG2 ARG 118 2HG ARG 118 -13.733 23.539 7.978 897 HG3 ARG 118 3HG ARG 118 -13.482 22.875 6.362 898 HD2 ARG 118 2HD ARG 118 -16.129 23.209 6.272 899 HD3 ARG 118 3HD ARG 118 -15.735 24.469 7.440 900 HE ARG 118 HE ARG 118 -15.246 24.529 4.639 901 HH11 ARG 118 1HH1 ARG 118 -13.969 25.561 7.708 902 HH12 ARG 118 2HH1 ARG 118 -13.132 26.927 7.048 903 HH21 ARG 118 1HH2 ARG 118 -14.148 26.323 3.757 904 HH22 ARG 118 2HH2 ARG 118 -13.235 27.360 4.801 905 HA PRO 119 HA PRO 119 -16.751 22.005 12.383 906 HB2 PRO 119 2HB PRO 119 -15.168 22.757 14.456 907 HB3 PRO 119 3HB PRO 119 -15.469 21.066 14.042 908 HG2 PRO 119 2HG PRO 119 -13.112 22.788 13.377 909 HG3 PRO 119 3HG PRO 119 -13.146 21.103 13.929 910 HD2 PRO 119 2HD PRO 119 -12.797 21.777 11.330 911 HD3 PRO 119 3HD PRO 119 -13.632 20.293 11.827 Start of MODEL 9 1 H1 GLY 2 H GLY 2 9.001 2.740 0.294 2 HA2 GLY 2 2HA GLY 2 9.960 5.535 0.381 3 HA3 GLY 2 3HA GLY 2 10.510 4.376 -0.821 4 H ASN 3 H ASN 3 9.630 6.577 -1.894 5 HA ASN 3 HA ASN 3 6.776 6.445 -2.405 6 HB2 ASN 3 2HB ASN 3 8.892 8.297 -3.529 7 HB3 ASN 3 3HB ASN 3 7.154 8.465 -3.768 8 HD21 ASN 3 1HD2 ASN 3 9.655 9.642 -2.087 9 HD22 ASN 3 2HD2 ASN 3 8.844 10.186 -0.661 10 H GLY 4 H GLY 4 6.246 4.738 -3.662 11 HA2 GLY 4 2HA GLY 4 7.891 3.900 -5.874 12 HA3 GLY 4 3HA GLY 4 6.330 3.232 -5.420 13 H GLN 5 H GLN 5 6.373 3.296 -7.924 14 HA GLN 5 HA GLN 5 4.896 5.700 -8.715 15 HB2 GLN 5 2HB GLN 5 7.473 5.365 -9.510 16 HB3 GLN 5 3HB GLN 5 6.620 4.552 -10.815 17 HG2 GLN 5 2HG GLN 5 6.260 6.517 -11.753 18 HG3 GLN 5 3HG GLN 5 5.252 6.957 -10.376 19 HE21 GLN 5 1HE2 GLN 5 8.237 7.423 -11.985 20 HE22 GLN 5 2HE2 GLN 5 8.879 8.627 -10.926 21 H GLY 6 H GLY 6 3.035 5.233 -9.699 22 HA2 GLY 6 2HA GLY 6 2.788 2.711 -11.177 23 HA3 GLY 6 3HA GLY 6 1.673 3.008 -9.851 24 H ARG 7 H ARG 7 0.238 2.642 -11.852 25 HA ARG 7 HA ARG 7 -0.008 4.702 -13.777 26 HB2 ARG 7 2HB ARG 7 -2.182 2.816 -12.860 27 HB3 ARG 7 3HB ARG 7 -2.077 3.649 -14.405 28 HG2 ARG 7 2HG ARG 7 0.137 2.339 -14.686 29 HG3 ARG 7 3HG ARG 7 -0.518 1.303 -13.417 30 HD2 ARG 7 2HD ARG 7 -1.413 0.208 -15.180 31 HD3 ARG 7 3HD ARG 7 -2.659 1.446 -15.023 32 HE ARG 7 HE ARG 7 -0.526 2.259 -16.741 33 HH11 ARG 7 1HH1 ARG 7 -3.454 0.383 -16.581 34 HH12 ARG 7 2HH1 ARG 7 -3.788 0.519 -18.276 35 HH21 ARG 7 1HH2 ARG 7 -0.955 2.445 -18.973 36 HH22 ARG 7 2HH2 ARG 7 -2.366 1.691 -19.636 37 H ASP 8 H ASP 8 -2.087 3.922 -10.982 38 HA ASP 8 HA ASP 8 -3.700 6.191 -11.122 39 HB2 ASP 8 2HB ASP 8 -3.146 4.090 -9.160 40 HB3 ASP 8 3HB ASP 8 -3.598 5.625 -8.424 41 H TRP 9 H TRP 9 -0.477 5.789 -9.930 42 HA TRP 9 HA TRP 9 -0.407 8.139 -8.312 43 HB2 TRP 9 2HB TRP 9 1.182 6.034 -8.368 44 HB3 TRP 9 3HB TRP 9 2.067 6.998 -9.548 45 HD1 TRP 9 HD1 TRP 9 4.065 8.058 -8.364 46 HE1 TRP 9 HE1 TRP 9 4.466 9.248 -6.117 47 HE3 TRP 9 HE3 TRP 9 -0.593 7.532 -6.323 48 HZ2 TRP 9 HZ2 TRP 9 3.003 9.879 -3.788 49 HZ3 TRP 9 HZ3 TRP 9 -1.010 8.457 -4.082 50 HH2 TRP 9 HH2 TRP 9 0.753 9.605 -2.842 51 H LYS 10 H LYS 10 1.267 7.434 -11.386 52 HA LYS 10 HA LYS 10 1.964 10.086 -11.942 53 HB2 LYS 10 2HB LYS 10 2.804 7.895 -13.019 54 HB3 LYS 10 3HB LYS 10 1.418 8.052 -14.091 55 HG2 LYS 10 2HG LYS 10 2.314 9.794 -15.222 56 HG3 LYS 10 3HG LYS 10 3.149 10.430 -13.803 57 HD2 LYS 10 2HD LYS 10 5.008 9.608 -14.741 58 HD3 LYS 10 3HD LYS 10 4.415 8.028 -14.223 59 HE2 LYS 10 2HE LYS 10 3.144 7.997 -16.452 60 HE3 LYS 10 3HE LYS 10 4.201 9.327 -16.922 61 HZ1 LYS 10 1HZ LYS 10 4.838 6.843 -17.398 62 HZ2 LYS 10 2HZ LYS 10 5.434 6.913 -15.817 63 HZ3 LYS 10 3HZ LYS 10 6.019 7.983 -16.989 64 H MET 11 H MET 11 -0.921 8.232 -12.735 65 HA MET 11 HA MET 11 -2.050 10.126 -14.514 66 HB2 MET 11 2HB MET 11 -2.742 7.748 -14.402 67 HB3 MET 11 3HB MET 11 -3.459 8.052 -12.825 68 HG2 MET 11 2HG MET 11 -5.272 9.057 -13.691 69 HG3 MET 11 3HG MET 11 -4.359 9.829 -14.985 70 HE1 MET 11 1HE MET 11 -4.550 7.599 -17.925 71 HE2 MET 11 2HE MET 11 -5.284 9.139 -17.479 72 HE3 MET 11 3HE MET 11 -3.605 8.804 -17.049 73 H ALA 12 H ALA 12 -2.225 9.665 -11.031 74 HA ALA 12 HA ALA 12 -4.326 11.464 -10.503 75 HB1 ALA 12 1HB ALA 12 -2.032 10.544 -8.780 76 HB2 ALA 12 2HB ALA 12 -3.378 11.520 -8.192 77 HB3 ALA 12 3HB ALA 12 -3.673 9.898 -8.821 78 H ILE 13 H ILE 13 -0.801 11.919 -10.538 79 HA ILE 13 HA ILE 13 -0.992 14.719 -9.931 80 HB ILE 13 HB ILE 13 1.357 13.114 -10.946 81 HG12 ILE 13 2HG1 ILE 13 0.599 13.994 -8.152 82 HG13 ILE 13 3HG1 ILE 13 0.550 12.345 -8.765 83 HG21 ILE 13 1HG2 ILE 13 2.720 14.992 -10.155 84 HG22 ILE 13 2HG2 ILE 13 1.613 15.480 -11.437 85 HG23 ILE 13 3HG2 ILE 13 1.251 15.883 -9.758 86 HD11 ILE 13 1HD1 ILE 13 3.067 12.693 -9.215 87 HD12 ILE 13 2HD1 ILE 13 2.911 14.035 -8.082 88 HD13 ILE 13 3HD1 ILE 13 2.517 12.396 -7.566 89 H LYS 14 H LYS 14 -0.841 12.765 -12.810 90 HA LYS 14 HA LYS 14 -0.048 14.763 -14.639 91 HB2 LYS 14 2HB LYS 14 0.065 12.449 -15.281 92 HB3 LYS 14 3HB LYS 14 -1.659 12.234 -15.009 93 HG2 LYS 14 2HG LYS 14 -1.026 14.330 -16.940 94 HG3 LYS 14 3HG LYS 14 -0.485 12.720 -17.421 95 HD2 LYS 14 2HD LYS 14 -2.910 12.045 -16.636 96 HD3 LYS 14 3HD LYS 14 -3.245 13.747 -16.967 97 HE2 LYS 14 2HE LYS 14 -2.880 13.521 -19.216 98 HE3 LYS 14 3HE LYS 14 -1.759 12.176 -19.010 99 HZ1 LYS 14 1HZ LYS 14 -3.420 10.815 -19.482 100 HZ2 LYS 14 2HZ LYS 14 -4.520 12.096 -19.563 101 HZ3 LYS 14 3HZ LYS 14 -4.234 11.320 -18.088 102 H ARG 15 H ARG 15 -3.247 13.647 -13.585 103 HA ARG 15 HA ARG 15 -4.648 15.511 -15.256 104 HB2 ARG 15 2HB ARG 15 -5.336 13.376 -13.368 105 HB3 ARG 15 3HB ARG 15 -6.452 14.735 -13.333 106 HG2 ARG 15 2HG ARG 15 -6.968 14.481 -15.637 107 HG3 ARG 15 3HG ARG 15 -5.661 13.317 -15.862 108 HD2 ARG 15 2HD ARG 15 -6.849 11.607 -14.972 109 HD3 ARG 15 3HD ARG 15 -7.669 12.645 -13.806 110 HE ARG 15 HE ARG 15 -8.630 11.866 -16.372 111 HH11 ARG 15 1HH1 ARG 15 -8.658 14.456 -14.044 112 HH12 ARG 15 2HH1 ARG 15 -10.181 15.090 -14.574 113 HH21 ARG 15 1HH2 ARG 15 -10.636 12.691 -17.077 114 HH22 ARG 15 2HH2 ARG 15 -11.305 14.085 -16.298 115 H CYS 16 H CYS 16 -3.709 15.364 -11.857 116 HA CYS 16 HA CYS 16 -5.136 17.628 -10.986 117 HB2 CYS 16 2HB CYS 16 -2.885 15.994 -9.954 118 HB3 CYS 16 3HB CYS 16 -3.048 17.614 -9.286 119 HG CYS 16 HG CYS 16 -4.252 15.495 -7.698 120 H SER 17 H SER 17 -2.158 17.273 -12.725 121 HA SER 17 HA SER 17 -0.898 19.689 -12.166 122 HB2 SER 17 2HB SER 17 -0.647 17.593 -14.113 123 HB3 SER 17 3HB SER 17 -0.489 19.155 -14.917 124 HG SER 17 HG SER 17 1.339 17.908 -13.527 125 H ASN 18 H ASN 18 -3.727 19.027 -14.043 126 HA ASN 18 HA ASN 18 -3.702 21.692 -15.243 127 HB2 ASN 18 2HB ASN 18 -5.351 19.218 -15.692 128 HB3 ASN 18 3HB ASN 18 -5.887 20.782 -16.301 129 HD21 ASN 18 1HD2 ASN 18 -3.816 21.992 -17.295 130 HD22 ASN 18 2HD2 ASN 18 -3.019 21.061 -18.512 131 H VAL 19 H VAL 19 -4.088 21.230 -12.351 132 HA VAL 19 HA VAL 19 -6.834 22.254 -12.045 133 HB VAL 19 HB VAL 19 -5.056 20.953 -9.975 134 HG11 VAL 19 1HG1 VAL 19 -7.798 22.168 -9.816 135 HG12 VAL 19 2HG1 VAL 19 -7.247 20.951 -8.663 136 HG13 VAL 19 3HG1 VAL 19 -6.389 22.486 -8.803 137 HG21 VAL 19 1HG2 VAL 19 -5.914 19.379 -11.644 138 HG22 VAL 19 2HG2 VAL 19 -6.646 19.105 -10.063 139 HG23 VAL 19 3HG2 VAL 19 -7.556 19.936 -11.324 140 H ALA 20 H ALA 20 -7.154 24.255 -11.280 141 HA ALA 20 HA ALA 20 -4.896 25.995 -10.927 142 HB1 ALA 20 1HB ALA 20 -6.338 27.646 -11.369 143 HB2 ALA 20 2HB ALA 20 -7.471 26.359 -11.780 144 HB3 ALA 20 3HB ALA 20 -7.499 27.076 -10.170 145 H VAL 21 H VAL 21 -3.774 25.913 -9.088 146 HA VAL 21 HA VAL 21 -4.943 25.135 -6.589 147 HB VAL 21 HB VAL 21 -2.649 24.542 -6.994 148 HG11 VAL 21 1HG1 VAL 21 -1.853 26.150 -8.498 149 HG12 VAL 21 2HG1 VAL 21 -2.269 27.489 -7.425 150 HG13 VAL 21 3HG1 VAL 21 -0.919 26.425 -7.028 151 HG21 VAL 21 1HG2 VAL 21 -1.791 25.039 -4.914 152 HG22 VAL 21 2HG2 VAL 21 -2.374 26.704 -4.953 153 HG23 VAL 21 3HG2 VAL 21 -3.504 25.379 -4.671 154 H GLY 22 H GLY 22 -4.312 28.136 -8.213 155 HA2 GLY 22 2HA GLY 22 -4.878 30.296 -7.676 156 HA3 GLY 22 3HA GLY 22 -5.906 29.626 -6.418 157 H VAL 23 H VAL 23 -4.682 31.975 -5.920 158 HA VAL 23 HA VAL 23 -3.275 31.474 -3.539 159 HB VAL 23 HB VAL 23 -1.401 30.869 -4.944 160 HG11 VAL 23 1HG1 VAL 23 -2.181 32.155 -6.941 161 HG12 VAL 23 2HG1 VAL 23 -1.558 33.616 -6.172 162 HG13 VAL 23 3HG1 VAL 23 -0.458 32.306 -6.600 163 HG21 VAL 23 1HG2 VAL 23 0.261 32.363 -4.067 164 HG22 VAL 23 2HG2 VAL 23 -0.939 33.637 -3.840 165 HG23 VAL 23 3HG2 VAL 23 -1.011 32.172 -2.860 166 H GLY 24 H GLY 24 -3.945 33.710 -6.173 167 HA2 GLY 24 2HA GLY 24 -5.283 35.636 -4.869 168 HA3 GLY 24 3HA GLY 24 -3.619 36.034 -4.464 169 H GLY 25 H GLY 25 -2.295 35.509 -6.801 170 HA2 GLY 25 2HA GLY 25 -3.680 37.081 -8.862 171 HA3 GLY 25 3HA GLY 25 -2.121 37.639 -8.275 172 H LYS 26 H LYS 26 -2.627 37.028 -10.961 173 HA LYS 26 HA LYS 26 -1.687 35.935 -12.720 174 HB2 LYS 26 2HB LYS 26 0.277 36.004 -10.731 175 HB3 LYS 26 3HB LYS 26 0.276 34.340 -11.303 176 HG2 LYS 26 2HG LYS 26 1.556 35.000 -12.982 177 HG3 LYS 26 3HG LYS 26 0.170 35.896 -13.611 178 HD2 LYS 26 2HD LYS 26 0.851 37.886 -12.492 179 HD3 LYS 26 3HD LYS 26 2.084 37.020 -11.573 180 HE2 LYS 26 2HE LYS 26 2.215 36.948 -14.545 181 HE3 LYS 26 3HE LYS 26 2.691 38.433 -13.723 182 HZ1 LYS 26 1HZ LYS 26 4.594 37.013 -14.059 183 HZ2 LYS 26 2HZ LYS 26 3.836 35.732 -13.256 184 HZ3 LYS 26 3HZ LYS 26 4.265 37.129 -12.404 185 H SER 27 H SER 27 -0.659 33.454 -13.117 186 HA SER 27 HA SER 27 -2.896 31.718 -12.318 187 HB2 SER 27 2HB SER 27 -1.112 30.946 -14.571 188 HB3 SER 27 3HB SER 27 -2.853 30.736 -14.389 189 HG SER 27 HG SER 27 -2.897 33.136 -14.622 190 H LYS 28 H LYS 28 -2.491 29.557 -11.721 191 HA LYS 28 HA LYS 28 0.181 28.562 -11.439 192 HB2 LYS 28 2HB LYS 28 -0.348 30.236 -9.468 193 HB3 LYS 28 3HB LYS 28 -1.232 28.860 -8.821 194 HG2 LYS 28 2HG LYS 28 0.772 28.458 -7.854 195 HG3 LYS 28 3HG LYS 28 1.054 27.626 -9.386 196 HD2 LYS 28 2HD LYS 28 2.240 29.517 -10.264 197 HD3 LYS 28 3HD LYS 28 1.807 30.500 -8.863 198 HE2 LYS 28 2HE LYS 28 3.103 28.984 -7.425 199 HE3 LYS 28 3HE LYS 28 3.559 28.043 -8.846 200 HZ1 LYS 28 1HZ LYS 28 5.010 29.617 -9.537 201 HZ2 LYS 28 2HZ LYS 28 5.073 29.965 -7.883 202 HZ3 LYS 28 3HZ LYS 28 4.115 30.908 -8.909 203 H LYS 29 H LYS 29 0.048 26.448 -11.761 204 HA LYS 29 HA LYS 29 -2.473 25.083 -11.091 205 HB2 LYS 29 2HB LYS 29 -2.057 23.555 -12.861 206 HB3 LYS 29 3HB LYS 29 -1.734 25.158 -13.509 207 HG2 LYS 29 2HG LYS 29 0.728 24.607 -12.787 208 HG3 LYS 29 3HG LYS 29 0.152 22.941 -12.895 209 HD2 LYS 29 2HD LYS 29 0.905 23.277 -15.039 210 HD3 LYS 29 3HD LYS 29 -0.788 23.747 -15.208 211 HE2 LYS 29 2HE LYS 29 -0.284 26.007 -15.297 212 HE3 LYS 29 3HE LYS 29 1.272 25.794 -14.496 213 HZ1 LYS 29 1HZ LYS 29 2.114 25.922 -16.540 214 HZ2 LYS 29 2HZ LYS 29 0.621 25.656 -17.290 215 HZ3 LYS 29 3HZ LYS 29 1.547 24.343 -16.762 216 H PHE 30 H PHE 30 -2.155 22.676 -10.647 217 HA PHE 30 HA PHE 30 -0.535 22.396 -8.348 218 HB2 PHE 30 2HB PHE 30 -2.648 20.988 -9.514 219 HB3 PHE 30 3HB PHE 30 -1.301 19.855 -9.519 220 HD1 PHE 30 HD1 PHE 30 -3.155 22.180 -7.289 221 HD2 PHE 30 HD2 PHE 30 -0.788 18.657 -7.606 222 HE1 PHE 30 HE1 PHE 30 -3.561 21.698 -4.911 223 HE2 PHE 30 HE2 PHE 30 -1.191 18.168 -5.228 224 HZ PHE 30 HZ PHE 30 -2.579 19.689 -3.877 225 H GLY 31 H GLY 31 0.812 20.173 -8.253 226 HA2 GLY 31 2HA GLY 31 2.370 19.529 -10.543 227 HA3 GLY 31 3HA GLY 31 3.234 20.655 -9.507 228 H GLU 32 H GLU 32 4.350 18.238 -9.956 229 HA GLU 32 HA GLU 32 3.619 16.250 -8.063 230 HB2 GLU 32 2HB GLU 32 5.831 15.255 -8.606 231 HB3 GLU 32 3HB GLU 32 4.864 15.621 -10.028 232 HG2 GLU 32 2HG GLU 32 6.275 17.905 -9.808 233 HG3 GLU 32 3HG GLU 32 7.427 16.752 -9.135 234 H GLY 33 H GLY 33 6.077 18.806 -8.090 235 HA2 GLY 33 2HA GLY 33 7.354 18.147 -5.686 236 HA3 GLY 33 3HA GLY 33 7.296 19.754 -6.394 237 H ASN 34 H ASN 34 4.660 20.402 -6.257 238 HA ASN 34 HA ASN 34 4.367 21.187 -3.569 239 HB2 ASN 34 2HB ASN 34 2.875 21.508 -6.070 240 HB3 ASN 34 3HB ASN 34 1.843 21.456 -4.645 241 HD21 ASN 34 1HD2 ASN 34 4.225 23.225 -6.391 242 HD22 ASN 34 2HD2 ASN 34 4.180 24.658 -5.426 243 H PHE 35 H PHE 35 2.946 18.559 -5.439 244 HA PHE 35 HA PHE 35 0.998 17.727 -3.623 245 HB2 PHE 35 2HB PHE 35 0.962 16.810 -5.822 246 HB3 PHE 35 3HB PHE 35 2.607 16.201 -5.669 247 HD1 PHE 35 HD1 PHE 35 -0.260 15.919 -3.319 248 HD2 PHE 35 HD2 PHE 35 2.437 13.907 -5.926 249 HE1 PHE 35 HE1 PHE 35 -1.140 13.752 -2.553 250 HE2 PHE 35 HE2 PHE 35 1.561 11.738 -5.164 251 HZ PHE 35 HZ PHE 35 -0.230 11.659 -3.476 252 H ARG 36 H ARG 36 4.420 16.859 -3.871 253 HA ARG 36 HA ARG 36 4.411 14.910 -1.829 254 HB2 ARG 36 2HB ARG 36 6.774 16.631 -2.561 255 HB3 ARG 36 3HB ARG 36 6.782 14.986 -1.939 256 HG2 ARG 36 2HG ARG 36 5.306 14.871 -4.306 257 HG3 ARG 36 3HG ARG 36 6.688 15.913 -4.655 258 HD2 ARG 36 2HD ARG 36 7.901 13.929 -3.283 259 HD3 ARG 36 3HD ARG 36 6.584 13.033 -4.038 260 HE ARG 36 HE ARG 36 7.824 14.637 -5.978 261 HH11 ARG 36 1HH1 ARG 36 8.460 11.832 -4.016 262 HH12 ARG 36 2HH1 ARG 36 9.559 11.125 -5.154 263 HH21 ARG 36 1HH2 ARG 36 9.269 13.716 -7.483 264 HH22 ARG 36 2HH2 ARG 36 10.020 12.198 -7.125 265 H TRP 37 H TRP 37 5.461 18.316 -1.770 266 HA TRP 37 HA TRP 37 6.118 18.502 0.908 267 HB2 TRP 37 2HB TRP 37 6.671 20.336 -0.483 268 HB3 TRP 37 3HB TRP 37 5.004 20.536 -1.017 269 HD1 TRP 37 HD1 TRP 37 7.416 21.617 1.666 270 HE1 TRP 37 HE1 TRP 37 6.256 23.287 3.242 271 HE3 TRP 37 HE3 TRP 37 2.604 21.068 0.029 272 HZ2 TRP 37 HZ2 TRP 37 3.645 24.245 3.729 273 HZ3 TRP 37 HZ3 TRP 37 0.835 22.398 1.104 274 HH2 TRP 37 HH2 TRP 37 1.346 23.952 2.915 275 H ALA 38 H ALA 38 2.971 18.493 -0.607 276 HA ALA 38 HA ALA 38 1.586 19.316 1.793 277 HB1 ALA 38 1HB ALA 38 -0.001 19.840 0.338 278 HB2 ALA 38 2HB ALA 38 0.957 19.134 -0.965 279 HB3 ALA 38 3HB ALA 38 -0.196 18.137 -0.079 280 H ILE 39 H ILE 39 1.342 16.376 -0.221 281 HA ILE 39 HA ILE 39 -0.042 14.789 1.546 282 HB ILE 39 HB ILE 39 0.524 14.180 -0.806 283 HG12 ILE 39 2HG1 ILE 39 1.451 11.789 0.586 284 HG13 ILE 39 3HG1 ILE 39 0.078 12.544 1.388 285 HG21 ILE 39 1HG2 ILE 39 3.120 13.112 0.243 286 HG22 ILE 39 2HG2 ILE 39 2.608 13.334 -1.429 287 HG23 ILE 39 3HG2 ILE 39 2.999 14.736 -0.432 288 HD11 ILE 39 1HD1 ILE 39 -1.108 12.510 -0.810 289 HD12 ILE 39 2HD1 ILE 39 0.226 11.544 -1.440 290 HD13 ILE 39 3HD1 ILE 39 -0.766 10.924 -0.121 291 H ARG 40 H ARG 40 3.375 15.560 1.524 292 HA ARG 40 HA ARG 40 4.080 13.601 3.500 293 HB2 ARG 40 2HB ARG 40 5.709 14.420 1.842 294 HB3 ARG 40 3HB ARG 40 5.603 16.030 2.541 295 HG2 ARG 40 2HG ARG 40 7.244 15.503 3.925 296 HG3 ARG 40 3HG ARG 40 6.210 14.272 4.652 297 HD2 ARG 40 2HD ARG 40 7.118 12.571 3.389 298 HD3 ARG 40 3HD ARG 40 7.641 13.663 2.107 299 HE ARG 40 HE ARG 40 9.130 12.892 4.417 300 HH11 ARG 40 1HH1 ARG 40 8.611 15.473 2.139 301 HH12 ARG 40 2HH1 ARG 40 10.193 16.150 2.347 302 HH21 ARG 40 1HH2 ARG 40 11.215 13.773 4.698 303 HH22 ARG 40 2HH2 ARG 40 11.674 15.181 3.803 304 H MET 41 H MET 41 3.908 17.165 3.536 305 HA MET 41 HA MET 41 4.378 17.543 6.243 306 HB2 MET 41 2HB MET 41 4.323 19.365 4.590 307 HB3 MET 41 3HB MET 41 2.581 19.177 4.441 308 HG2 MET 41 2HG MET 41 2.169 20.321 6.316 309 HG3 MET 41 3HG MET 41 3.521 19.592 7.179 310 HE1 MET 41 1HE MET 41 5.667 22.424 7.699 311 HE2 MET 41 2HE MET 41 4.005 22.386 8.288 312 HE3 MET 41 3HE MET 41 4.942 20.894 8.193 313 H ALA 42 H ALA 42 1.412 16.685 4.572 314 HA ALA 42 HA ALA 42 -0.307 17.056 6.819 315 HB1 ALA 42 1HB ALA 42 -1.142 17.117 4.521 316 HB2 ALA 42 2HB ALA 42 -0.743 15.409 4.331 317 HB3 ALA 42 3HB ALA 42 -1.982 15.901 5.483 318 H ASN 43 H ASN 43 1.196 14.204 5.318 319 HA ASN 43 HA ASN 43 0.110 12.280 7.037 320 HB2 ASN 43 2HB ASN 43 1.504 12.042 4.825 321 HB3 ASN 43 3HB ASN 43 2.874 11.962 5.929 322 HD21 ASN 43 1HD2 ASN 43 3.297 9.834 5.325 323 HD22 ASN 43 2HD2 ASN 43 2.315 8.520 5.870 324 H VAL 44 H VAL 44 3.281 13.899 7.177 325 HA VAL 44 HA VAL 44 4.121 12.732 9.590 326 HB VAL 44 HB VAL 44 4.909 15.431 8.482 327 HG11 VAL 44 1HG1 VAL 44 7.028 14.963 9.742 328 HG12 VAL 44 2HG1 VAL 44 5.613 15.266 10.752 329 HG13 VAL 44 3HG1 VAL 44 6.191 13.617 10.516 330 HG21 VAL 44 1HG2 VAL 44 6.187 12.733 8.051 331 HG22 VAL 44 2HG2 VAL 44 5.221 13.606 6.861 332 HG23 VAL 44 3HG2 VAL 44 6.758 14.274 7.413 333 H SER 45 H SER 45 2.203 15.596 8.907 334 HA SER 45 HA SER 45 2.271 16.754 11.466 335 HB2 SER 45 2HB SER 45 0.412 16.941 9.125 336 HB3 SER 45 3HB SER 45 -0.063 17.667 10.660 337 HG SER 45 HG SER 45 1.366 19.188 10.376 338 H THR 46 H THR 46 0.549 14.033 10.210 339 HA THR 46 HA THR 46 -1.214 13.939 12.547 340 HB THR 46 HB THR 46 -2.146 11.881 11.283 341 HG1 THR 46 HG1 THR 46 -0.253 11.990 9.775 342 HG21 THR 46 1HG2 THR 46 -2.647 14.299 9.651 343 HG22 THR 46 2HG2 THR 46 -2.928 14.448 11.385 344 HG23 THR 46 3HG2 THR 46 -3.784 13.219 10.457 345 H GLY 47 H GLY 47 1.688 13.406 12.681 346 HA2 GLY 47 2HA GLY 47 3.133 11.899 13.636 347 HA3 GLY 47 3HA GLY 47 1.713 11.293 14.474 348 H ARG 48 H ARG 48 1.877 11.206 11.004 349 HA ARG 48 HA ARG 48 1.768 8.299 11.096 350 HB2 ARG 48 2HB ARG 48 0.337 9.984 9.628 351 HB3 ARG 48 3HB ARG 48 1.700 9.818 8.530 352 HG2 ARG 48 2HG ARG 48 0.907 7.893 7.788 353 HG3 ARG 48 3HG ARG 48 0.917 7.227 9.423 354 HD2 ARG 48 2HD ARG 48 -1.278 8.633 9.678 355 HD3 ARG 48 3HD ARG 48 -1.297 8.545 7.916 356 HE ARG 48 HE ARG 48 -0.893 5.968 8.938 357 HH11 ARG 48 1HH1 ARG 48 -3.361 8.419 8.790 358 HH12 ARG 48 2HH1 ARG 48 -4.672 7.288 8.848 359 HH21 ARG 48 1HH2 ARG 48 -2.610 4.468 9.016 360 HH22 ARG 48 2HH2 ARG 48 -4.244 5.041 8.978 361 H GLU 49 H GLU 49 3.308 6.940 10.334 362 HA GLU 49 HA GLU 49 5.968 7.671 10.290 363 HB2 GLU 49 2HB GLU 49 4.426 5.306 9.417 364 HB3 GLU 49 3HB GLU 49 6.022 5.477 8.702 365 HG2 GLU 49 2HG GLU 49 7.056 5.496 10.864 366 HG3 GLU 49 3HG GLU 49 5.483 5.520 11.660 367 HA PRO 50 HA PRO 50 6.886 9.455 6.391 368 HB2 PRO 50 2HB PRO 50 9.295 8.354 5.793 369 HB3 PRO 50 3HB PRO 50 9.081 9.565 7.063 370 HG2 PRO 50 2HG PRO 50 9.294 6.589 7.300 371 HG3 PRO 50 3HG PRO 50 10.044 7.846 8.298 372 HD2 PRO 50 2HD PRO 50 7.825 6.502 9.073 373 HD3 PRO 50 3HD PRO 50 8.125 8.192 9.528 374 H GLY 51 H GLY 51 7.566 5.953 6.439 375 HA2 GLY 51 2HA GLY 51 7.045 5.761 3.584 376 HA3 GLY 51 3HA GLY 51 7.559 4.456 4.642 377 H ASP 52 H ASP 52 4.763 6.658 4.742 378 HA ASP 52 HA ASP 52 2.994 4.338 4.437 379 HB2 ASP 52 2HB ASP 52 3.410 5.130 6.899 380 HB3 ASP 52 3HB ASP 52 2.316 6.440 6.463 381 H ILE 53 H ILE 53 3.022 5.437 2.262 382 HA ILE 53 HA ILE 53 1.539 7.916 2.071 383 HB ILE 53 HB ILE 53 3.396 7.423 0.511 384 HG12 ILE 53 2HG1 ILE 53 1.870 7.785 -1.636 385 HG13 ILE 53 3HG1 ILE 53 0.620 8.002 -0.417 386 HG21 ILE 53 1HG2 ILE 53 1.575 5.435 -0.813 387 HG22 ILE 53 2HG2 ILE 53 3.281 5.745 -1.133 388 HG23 ILE 53 3HG2 ILE 53 2.795 4.957 0.368 389 HD11 ILE 53 1HD1 ILE 53 1.909 9.793 0.601 390 HD12 ILE 53 2HD1 ILE 53 3.186 9.563 -0.594 391 HD13 ILE 53 3HD1 ILE 53 1.593 10.123 -1.103 392 HA PRO 54 HA PRO 54 -2.423 5.950 1.867 393 HB2 PRO 54 2HB PRO 54 -3.826 8.113 1.016 394 HB3 PRO 54 3HB PRO 54 -3.263 7.928 2.681 395 HG2 PRO 54 2HG PRO 54 -2.065 9.511 0.441 396 HG3 PRO 54 3HG PRO 54 -2.275 9.962 2.143 397 HD2 PRO 54 2HD PRO 54 0.091 9.106 1.146 398 HD3 PRO 54 3HD PRO 54 -0.413 8.783 2.817 399 H GLU 55 H GLU 55 -4.051 5.399 0.300 400 HA GLU 55 HA GLU 55 -3.726 6.132 -2.455 401 HB2 GLU 55 2HB GLU 55 -2.215 3.947 -1.527 402 HB3 GLU 55 3HB GLU 55 -3.565 3.254 -2.416 403 HG2 GLU 55 2HG GLU 55 -2.923 4.214 -4.410 404 HG3 GLU 55 3HG GLU 55 -1.989 5.482 -3.619 405 H THR 56 H THR 56 -5.760 6.004 -0.292 406 HA THR 56 HA THR 56 -7.878 4.824 -1.896 407 HB THR 56 HB THR 56 -8.852 3.555 -0.062 408 HG1 THR 56 HG1 THR 56 -7.930 3.493 1.927 409 HG21 THR 56 1HG2 THR 56 -7.191 2.473 -1.580 410 HG22 THR 56 2HG2 THR 56 -7.297 1.722 0.012 411 HG23 THR 56 3HG2 THR 56 -5.948 2.791 -0.371 412 H LEU 57 H LEU 57 -9.913 5.709 -1.510 413 HA LEU 57 HA LEU 57 -10.056 8.354 -0.737 414 HB2 LEU 57 2HB LEU 57 -11.752 6.721 -1.948 415 HB3 LEU 57 3HB LEU 57 -12.454 6.641 -0.334 416 HG LEU 57 HG LEU 57 -13.597 8.280 -1.734 417 HD11 LEU 57 1HD1 LEU 57 -13.198 8.574 0.778 418 HD12 LEU 57 2HD1 LEU 57 -13.724 9.981 -0.144 419 HD13 LEU 57 3HD1 LEU 57 -12.029 9.810 0.312 420 HD21 LEU 57 1HD2 LEU 57 -11.365 8.797 -2.980 421 HD22 LEU 57 2HD2 LEU 57 -11.167 10.017 -1.722 422 HD23 LEU 57 3HD2 LEU 57 -12.577 10.061 -2.781 423 H ASP 58 H ASP 58 -10.502 5.454 1.201 424 HA ASP 58 HA ASP 58 -11.497 6.765 3.515 425 HB2 ASP 58 2HB ASP 58 -10.294 4.063 2.986 426 HB3 ASP 58 3HB ASP 58 -10.626 4.586 4.636 427 H GLN 59 H GLN 59 -8.261 5.773 2.481 428 HA GLN 59 HA GLN 59 -6.879 6.394 4.828 429 HB2 GLN 59 2HB GLN 59 -6.203 5.891 2.024 430 HB3 GLN 59 3HB GLN 59 -5.076 6.976 2.829 431 HG2 GLN 59 2HG GLN 59 -4.271 4.735 3.023 432 HG3 GLN 59 3HG GLN 59 -4.791 5.292 4.613 433 HE21 GLN 59 1HE2 GLN 59 -4.915 2.793 2.455 434 HE22 GLN 59 2HE2 GLN 59 -6.285 1.948 3.082 435 H LEU 60 H LEU 60 -7.533 8.407 1.972 436 HA LEU 60 HA LEU 60 -6.203 10.707 2.931 437 HB2 LEU 60 2HB LEU 60 -8.369 10.323 0.881 438 HB3 LEU 60 3HB LEU 60 -7.648 11.894 1.226 439 HG LEU 60 HG LEU 60 -5.653 9.861 0.632 440 HD11 LEU 60 1HD1 LEU 60 -6.512 10.328 -1.928 441 HD12 LEU 60 2HD1 LEU 60 -8.018 10.021 -1.065 442 HD13 LEU 60 3HD1 LEU 60 -6.723 8.825 -1.030 443 HD21 LEU 60 1HD2 LEU 60 -5.903 12.603 0.529 444 HD22 LEU 60 2HD2 LEU 60 -5.924 12.129 -1.169 445 HD23 LEU 60 3HD2 LEU 60 -4.574 11.655 -0.137 446 H ARG 61 H ARG 61 -9.665 9.869 2.859 447 HA ARG 61 HA ARG 61 -10.690 12.121 4.080 448 HB2 ARG 61 2HB ARG 61 -12.052 10.300 3.102 449 HB3 ARG 61 3HB ARG 61 -11.639 9.277 4.471 450 HG2 ARG 61 2HG ARG 61 -12.748 11.835 5.287 451 HG3 ARG 61 3HG ARG 61 -13.844 10.906 4.261 452 HD2 ARG 61 2HD ARG 61 -12.437 9.639 6.586 453 HD3 ARG 61 3HD ARG 61 -13.937 10.539 6.806 454 HE ARG 61 HE ARG 61 -14.109 8.549 4.752 455 HH11 ARG 61 1HH1 ARG 61 -14.324 9.122 8.179 456 HH12 ARG 61 2HH1 ARG 61 -15.349 7.758 8.475 457 HH21 ARG 61 1HH2 ARG 61 -15.459 6.749 5.130 458 HH22 ARG 61 2HH2 ARG 61 -15.994 6.407 6.740 459 H LEU 62 H LEU 62 -8.963 9.444 5.494 460 HA LEU 62 HA LEU 62 -9.664 10.004 8.203 461 HB2 LEU 62 2HB LEU 62 -8.353 7.965 6.848 462 HB3 LEU 62 3HB LEU 62 -7.105 8.684 7.864 463 HG LEU 62 HG LEU 62 -8.081 6.828 9.025 464 HD11 LEU 62 1HD1 LEU 62 -9.444 9.042 10.434 465 HD12 LEU 62 2HD1 LEU 62 -7.721 9.235 10.115 466 HD13 LEU 62 3HD1 LEU 62 -8.297 7.846 11.036 467 HD21 LEU 62 1HD2 LEU 62 -10.206 6.242 8.789 468 HD22 LEU 62 2HD2 LEU 62 -10.454 7.644 7.749 469 HD23 LEU 62 3HD2 LEU 62 -10.740 7.771 9.485 470 H VAL 63 H VAL 63 -6.595 10.432 6.428 471 HA VAL 63 HA VAL 63 -5.291 11.923 8.398 472 HB VAL 63 HB VAL 63 -4.046 10.957 6.568 473 HG11 VAL 63 1HG1 VAL 63 -5.727 11.165 4.817 474 HG12 VAL 63 2HG1 VAL 63 -5.499 12.915 4.791 475 HG13 VAL 63 3HG1 VAL 63 -4.188 11.846 4.292 476 HG21 VAL 63 1HG2 VAL 63 -2.581 12.779 6.060 477 HG22 VAL 63 2HG2 VAL 63 -3.860 13.958 6.344 478 HG23 VAL 63 3HG2 VAL 63 -3.205 13.027 7.691 479 H ILE 64 H ILE 64 -7.490 12.905 5.843 480 HA ILE 64 HA ILE 64 -7.034 15.703 6.101 481 HB ILE 64 HB ILE 64 -9.418 14.240 4.963 482 HG12 ILE 64 2HG1 ILE 64 -7.292 15.614 3.356 483 HG13 ILE 64 3HG1 ILE 64 -7.007 13.987 3.967 484 HG21 ILE 64 1HG2 ILE 64 -9.072 16.778 3.780 485 HG22 ILE 64 2HG2 ILE 64 -10.409 16.216 4.782 486 HG23 ILE 64 3HG2 ILE 64 -9.021 17.007 5.527 487 HD11 ILE 64 1HD1 ILE 64 -9.201 14.872 2.112 488 HD12 ILE 64 2HD1 ILE 64 -7.825 13.835 1.734 489 HD13 ILE 64 3HD1 ILE 64 -9.088 13.263 2.824 490 H CYS 65 H CYS 65 -9.290 13.430 7.560 491 HA CYS 65 HA CYS 65 -10.971 15.341 8.787 492 HB2 CYS 65 2HB CYS 65 -10.607 12.446 8.860 493 HB3 CYS 65 3HB CYS 65 -11.068 13.108 10.423 494 HG CYS 65 HG CYS 65 -12.815 13.526 7.509 495 H ASP 66 H ASP 66 -8.254 13.434 10.073 496 HA ASP 66 HA ASP 66 -8.278 14.607 12.639 497 HB2 ASP 66 2HB ASP 66 -6.203 13.088 11.076 498 HB3 ASP 66 3HB ASP 66 -5.839 13.753 12.666 499 H LEU 67 H LEU 67 -6.360 15.313 9.735 500 HA LEU 67 HA LEU 67 -4.810 17.373 10.868 501 HB2 LEU 67 2HB LEU 67 -4.440 16.117 8.685 502 HB3 LEU 67 3HB LEU 67 -5.622 17.218 7.979 503 HG LEU 67 HG LEU 67 -4.032 19.075 8.875 504 HD11 LEU 67 1HD1 LEU 67 -2.191 16.690 8.768 505 HD12 LEU 67 2HD1 LEU 67 -2.582 17.659 10.189 506 HD13 LEU 67 3HD1 LEU 67 -1.669 18.373 8.859 507 HD21 LEU 67 1HD2 LEU 67 -2.867 19.092 6.775 508 HD22 LEU 67 2HD2 LEU 67 -4.514 18.523 6.501 509 HD23 LEU 67 3HD2 LEU 67 -3.177 17.372 6.537 510 H GLN 68 H GLN 68 -8.001 17.331 9.433 511 HA GLN 68 HA GLN 68 -8.304 20.110 9.062 512 HB2 GLN 68 2HB GLN 68 -9.821 18.632 7.956 513 HB3 GLN 68 3HB GLN 68 -10.313 17.899 9.477 514 HG2 GLN 68 2HG GLN 68 -10.755 20.790 9.316 515 HG3 GLN 68 3HG GLN 68 -11.686 19.832 8.167 516 HE21 GLN 68 1HE2 GLN 68 -12.114 21.321 10.877 517 HE22 GLN 68 2HE2 GLN 68 -13.131 20.226 11.744 518 H GLU 69 H GLU 69 -9.344 17.983 11.722 519 HA GLU 69 HA GLU 69 -10.493 19.944 13.336 520 HB2 GLU 69 2HB GLU 69 -9.094 17.384 14.125 521 HB3 GLU 69 3HB GLU 69 -10.065 18.362 15.217 522 HG2 GLU 69 2HG GLU 69 -11.281 17.427 12.670 523 HG3 GLU 69 3HG GLU 69 -11.075 16.278 13.991 524 H ARG 70 H ARG 70 -7.165 18.695 13.330 525 HA ARG 70 HA ARG 70 -6.245 20.378 15.413 526 HB2 ARG 70 2HB ARG 70 -4.824 18.836 13.248 527 HB3 ARG 70 3HB ARG 70 -3.958 19.797 14.439 528 HG2 ARG 70 2HG ARG 70 -4.732 18.434 16.224 529 HG3 ARG 70 3HG ARG 70 -5.875 17.599 15.171 530 HD2 ARG 70 2HD ARG 70 -4.093 16.556 13.958 531 HD3 ARG 70 3HD ARG 70 -2.887 17.526 14.801 532 HE ARG 70 HE ARG 70 -4.313 16.093 16.717 533 HH11 ARG 70 1HH1 ARG 70 -2.146 15.484 14.062 534 HH12 ARG 70 2HH1 ARG 70 -1.501 14.031 14.750 535 HH21 ARG 70 1HH2 ARG 70 -3.472 14.181 17.634 536 HH22 ARG 70 2HH2 ARG 70 -2.257 13.290 16.781 537 H ARG 71 H ARG 71 -6.483 20.747 11.938 538 HA ARG 71 HA ARG 71 -4.791 22.941 11.581 539 HB2 ARG 71 2HB ARG 71 -5.613 21.783 9.661 540 HB3 ARG 71 3HB ARG 71 -7.284 22.088 10.114 541 HG2 ARG 71 2HG ARG 71 -5.593 24.468 9.695 542 HG3 ARG 71 3HG ARG 71 -5.970 23.505 8.265 543 HD2 ARG 71 2HD ARG 71 -8.399 23.648 9.488 544 HD3 ARG 71 3HD ARG 71 -7.701 25.212 9.906 545 HE ARG 71 HE ARG 71 -7.869 25.847 7.706 546 HH11 ARG 71 1HH1 ARG 71 -8.379 22.413 7.970 547 HH12 ARG 71 2HH1 ARG 71 -8.905 22.233 6.329 548 HH21 ARG 71 1HH2 ARG 71 -8.559 25.622 5.545 549 HH22 ARG 71 2HH2 ARG 71 -9.006 24.059 4.950 550 H GLU 72 H GLU 72 -8.242 22.815 12.391 551 HA GLU 72 HA GLU 72 -8.605 25.632 12.427 552 HB2 GLU 72 2HB GLU 72 -10.196 23.352 13.593 553 HB3 GLU 72 3HB GLU 72 -10.694 25.029 13.752 554 HG2 GLU 72 2HG GLU 72 -10.459 25.071 11.167 555 HG3 GLU 72 3HG GLU 72 -10.570 23.317 11.313 556 H LYS 73 H LYS 73 -8.166 23.233 15.016 557 HA LYS 73 HA LYS 73 -8.310 24.897 17.212 558 HB2 LYS 73 2HB LYS 73 -7.637 22.247 16.764 559 HB3 LYS 73 3HB LYS 73 -6.174 22.925 17.464 560 HG2 LYS 73 2HG LYS 73 -8.742 23.557 18.798 561 HG3 LYS 73 3HG LYS 73 -8.122 21.911 18.945 562 HD2 LYS 73 2HD LYS 73 -6.478 24.362 19.549 563 HD3 LYS 73 3HD LYS 73 -7.420 23.501 20.768 564 HE2 LYS 73 2HE LYS 73 -5.640 22.196 21.066 565 HE3 LYS 73 3HE LYS 73 -5.980 21.510 19.477 566 HZ1 LYS 73 1HZ LYS 73 -4.607 23.899 19.078 567 HZ2 LYS 73 2HZ LYS 73 -4.059 22.326 18.783 568 HZ3 LYS 73 3HZ LYS 73 -3.772 23.053 20.284 569 H PHE 74 H PHE 74 -5.698 24.481 14.927 570 HA PHE 74 HA PHE 74 -3.904 26.138 16.519 571 HB2 PHE 74 2HB PHE 74 -3.077 24.092 15.325 572 HB3 PHE 74 3HB PHE 74 -3.411 24.909 13.802 573 HD1 PHE 74 HD1 PHE 74 -2.031 26.737 13.039 574 HD2 PHE 74 HD2 PHE 74 -1.236 24.780 16.735 575 HE1 PHE 74 HE1 PHE 74 0.196 27.781 13.109 576 HE2 PHE 74 HE2 PHE 74 0.991 25.820 16.810 577 HZ PHE 74 HZ PHE 74 1.711 27.323 14.997 578 H GLY 75 H GLY 75 -6.028 26.352 13.794 579 HA2 GLY 75 2HA GLY 75 -6.839 28.586 13.234 580 HA3 GLY 75 3HA GLY 75 -5.189 29.160 13.427 581 H SER 76 H SER 76 -6.515 29.807 11.160 582 HA SER 76 HA SER 76 -5.961 27.902 9.067 583 HB2 SER 76 2HB SER 76 -6.569 30.067 7.660 584 HB3 SER 76 3HB SER 76 -7.818 29.138 8.487 585 HG SER 76 HG SER 76 -8.130 31.251 9.045 586 H SER 77 H SER 77 -4.116 27.695 7.997 587 HA SER 77 HA SER 77 -2.292 29.990 7.828 588 HB2 SER 77 2HB SER 77 -0.842 28.997 9.221 589 HB3 SER 77 3HB SER 77 -1.839 27.545 9.302 590 HG SER 77 HG SER 77 0.454 27.981 7.928 591 H LYS 78 H LYS 78 -1.126 30.147 5.948 592 HA LYS 78 HA LYS 78 -2.161 29.082 3.613 593 HB2 LYS 78 2HB LYS 78 -0.097 29.870 2.520 594 HB3 LYS 78 3HB LYS 78 -0.757 31.069 3.625 595 HG2 LYS 78 2HG LYS 78 0.988 29.663 5.214 596 HG3 LYS 78 3HG LYS 78 1.814 29.714 3.655 597 HD2 LYS 78 2HD LYS 78 1.778 32.076 3.606 598 HD3 LYS 78 3HD LYS 78 0.614 32.161 4.930 599 HE2 LYS 78 2HE LYS 78 2.554 30.858 6.196 600 HE3 LYS 78 3HE LYS 78 3.544 31.681 4.992 601 HZ1 LYS 78 1HZ LYS 78 1.700 32.959 6.936 602 HZ2 LYS 78 2HZ LYS 78 2.522 33.787 5.712 603 HZ3 LYS 78 3HZ LYS 78 3.390 33.028 6.950 604 H GLU 79 H GLU 79 0.340 27.823 5.721 605 HA GLU 79 HA GLU 79 1.228 25.791 3.916 606 HB2 GLU 79 2HB GLU 79 1.550 25.928 6.919 607 HB3 GLU 79 3HB GLU 79 2.472 24.915 5.817 608 HG2 GLU 79 2HG GLU 79 3.277 27.032 4.722 609 HG3 GLU 79 3HG GLU 79 2.543 27.907 6.064 610 H ILE 80 H ILE 80 -0.462 25.497 7.046 611 HA ILE 80 HA ILE 80 -1.200 22.847 6.831 612 HB ILE 80 HB ILE 80 -1.471 24.312 8.857 613 HG12 ILE 80 2HG1 ILE 80 -3.752 23.206 9.471 614 HG13 ILE 80 3HG1 ILE 80 -3.613 22.442 7.891 615 HG21 ILE 80 1HG2 ILE 80 -4.023 25.129 7.474 616 HG22 ILE 80 2HG2 ILE 80 -3.558 25.542 9.124 617 HG23 ILE 80 3HG2 ILE 80 -2.628 26.168 7.763 618 HD11 ILE 80 1HD1 ILE 80 -2.347 21.758 10.370 619 HD12 ILE 80 2HD1 ILE 80 -2.402 20.863 8.850 620 HD13 ILE 80 3HD1 ILE 80 -1.139 22.063 9.122 621 H ASP 81 H ASP 81 -2.629 25.656 5.338 622 HA ASP 81 HA ASP 81 -5.089 24.452 4.582 623 HB2 ASP 81 2HB ASP 81 -3.586 26.895 3.689 624 HB3 ASP 81 3HB ASP 81 -5.029 26.369 2.827 625 H MET 82 H MET 82 -2.256 25.309 2.582 626 HA MET 82 HA MET 82 -3.016 24.022 0.261 627 HB2 MET 82 2HB MET 82 -0.288 24.537 1.431 628 HB3 MET 82 3HB MET 82 -0.502 23.812 -0.157 629 HG2 MET 82 2HG MET 82 -1.373 25.745 -1.069 630 HG3 MET 82 3HG MET 82 -1.850 26.391 0.499 631 HE1 MET 82 1HE MET 82 1.277 26.073 -2.072 632 HE2 MET 82 2HE MET 82 -0.094 27.169 -2.246 633 HE3 MET 82 3HE MET 82 1.501 27.807 -1.842 634 H ALA 83 H ALA 83 -1.714 22.676 3.199 635 HA ALA 83 HA ALA 83 -0.932 20.158 2.167 636 HB1 ALA 83 1HB ALA 83 -0.510 19.545 4.343 637 HB2 ALA 83 2HB ALA 83 -0.416 21.303 4.460 638 HB3 ALA 83 3HB ALA 83 -1.876 20.462 4.980 639 H ILE 84 H ILE 84 -3.784 20.998 4.147 640 HA ILE 84 HA ILE 84 -5.105 18.548 3.761 641 HB ILE 84 HB ILE 84 -5.729 20.018 5.583 642 HG12 ILE 84 2HG1 ILE 84 -8.188 20.069 3.896 643 HG13 ILE 84 3HG1 ILE 84 -7.433 18.510 4.205 644 HG21 ILE 84 1HG2 ILE 84 -5.327 22.147 4.404 645 HG22 ILE 84 2HG2 ILE 84 -6.814 21.896 3.489 646 HG23 ILE 84 3HG2 ILE 84 -6.881 22.115 5.238 647 HD11 ILE 84 1HD1 ILE 84 -9.300 19.338 5.771 648 HD12 ILE 84 2HD1 ILE 84 -7.852 18.617 6.475 649 HD13 ILE 84 3HD1 ILE 84 -8.046 20.369 6.460 650 H VAL 85 H VAL 85 -5.216 21.586 1.975 651 HA VAL 85 HA VAL 85 -7.405 20.995 0.318 652 HB VAL 85 HB VAL 85 -5.006 22.746 -0.232 653 HG11 VAL 85 1HG1 VAL 85 -7.178 21.931 -1.941 654 HG12 VAL 85 2HG1 VAL 85 -7.210 23.675 -1.673 655 HG13 VAL 85 3HG1 VAL 85 -5.759 22.907 -2.318 656 HG21 VAL 85 1HG2 VAL 85 -7.686 23.852 0.369 657 HG22 VAL 85 2HG2 VAL 85 -6.804 23.120 1.709 658 HG23 VAL 85 3HG2 VAL 85 -6.086 24.453 0.805 659 H THR 86 H THR 86 -3.989 20.208 0.065 660 HA THR 86 HA THR 86 -4.064 19.261 -2.609 661 HB THR 86 HB THR 86 -2.130 18.711 -0.357 662 HG1 THR 86 HG1 THR 86 -1.313 20.537 -1.024 663 HG21 THR 86 1HG2 THR 86 -2.388 17.452 -2.983 664 HG22 THR 86 2HG2 THR 86 -1.446 16.955 -1.577 665 HG23 THR 86 3HG2 THR 86 -0.798 18.157 -2.694 666 H LEU 87 H LEU 87 -4.094 17.562 0.522 667 HA LEU 87 HA LEU 87 -4.272 14.962 -0.435 668 HB2 LEU 87 2HB LEU 87 -5.117 16.316 2.079 669 HB3 LEU 87 3HB LEU 87 -5.639 14.658 1.791 670 HG LEU 87 HG LEU 87 -2.761 15.560 1.837 671 HD11 LEU 87 1HD1 LEU 87 -4.560 14.479 3.968 672 HD12 LEU 87 2HD1 LEU 87 -3.419 15.820 4.043 673 HD13 LEU 87 3HD1 LEU 87 -2.826 14.160 4.004 674 HD21 LEU 87 1HD2 LEU 87 -2.357 13.109 2.051 675 HD22 LEU 87 2HD2 LEU 87 -3.029 13.598 0.496 676 HD23 LEU 87 3HD2 LEU 87 -4.067 12.847 1.709 677 H LYS 88 H LYS 88 -6.775 17.386 -0.002 678 HA LYS 88 HA LYS 88 -8.963 15.613 -0.481 679 HB2 LYS 88 2HB LYS 88 -8.697 18.616 -0.473 680 HB3 LYS 88 3HB LYS 88 -10.213 17.812 -0.858 681 HG2 LYS 88 2HG LYS 88 -10.539 17.089 1.288 682 HG3 LYS 88 3HG LYS 88 -8.815 17.084 1.665 683 HD2 LYS 88 2HD LYS 88 -8.772 19.330 2.133 684 HD3 LYS 88 3HD LYS 88 -10.133 19.688 1.066 685 HE2 LYS 88 2HE LYS 88 -10.816 17.945 3.312 686 HE3 LYS 88 3HE LYS 88 -10.242 19.538 3.801 687 HZ1 LYS 88 1HZ LYS 88 -12.097 20.507 3.067 688 HZ2 LYS 88 2HZ LYS 88 -12.773 18.956 3.067 689 HZ3 LYS 88 3HZ LYS 88 -12.140 19.603 1.637 690 H VAL 89 H VAL 89 -7.742 18.329 -2.452 691 HA VAL 89 HA VAL 89 -9.113 17.759 -4.779 692 HB VAL 89 HB VAL 89 -7.759 19.817 -4.354 693 HG11 VAL 89 1HG1 VAL 89 -5.396 19.827 -4.818 694 HG12 VAL 89 2HG1 VAL 89 -5.728 18.632 -3.562 695 HG13 VAL 89 3HG1 VAL 89 -5.428 18.110 -5.221 696 HG21 VAL 89 1HG2 VAL 89 -7.784 20.273 -6.552 697 HG22 VAL 89 2HG2 VAL 89 -6.723 18.921 -6.947 698 HG23 VAL 89 3HG2 VAL 89 -8.449 18.648 -6.714 699 H PHE 90 H PHE 90 -6.231 16.266 -3.498 700 HA PHE 90 HA PHE 90 -5.574 14.883 -5.934 701 HB2 PHE 90 2HB PHE 90 -3.797 15.457 -4.375 702 HB3 PHE 90 3HB PHE 90 -4.575 14.522 -3.102 703 HD1 PHE 90 HD1 PHE 90 -4.395 12.139 -3.022 704 HD2 PHE 90 HD2 PHE 90 -2.696 14.337 -6.246 705 HE1 PHE 90 HE1 PHE 90 -3.129 10.144 -3.711 706 HE2 PHE 90 HE2 PHE 90 -1.428 12.347 -6.941 707 HZ PHE 90 HZ PHE 90 -1.644 10.247 -5.673 708 H ALA 91 H ALA 91 -7.387 14.211 -3.020 709 HA ALA 91 HA ALA 91 -7.605 11.400 -3.402 710 HB1 ALA 91 1HB ALA 91 -7.927 12.480 -1.219 711 HB2 ALA 91 2HB ALA 91 -9.402 13.237 -1.824 712 HB3 ALA 91 3HB ALA 91 -9.307 11.481 -1.677 713 H VAL 92 H VAL 92 -9.820 14.110 -4.054 714 HA VAL 92 HA VAL 92 -11.838 12.492 -5.230 715 HB VAL 92 HB VAL 92 -11.395 15.442 -5.693 716 HG11 VAL 92 1HG1 VAL 92 -13.259 15.347 -6.892 717 HG12 VAL 92 2HG1 VAL 92 -13.323 13.600 -6.653 718 HG13 VAL 92 3HG1 VAL 92 -14.127 14.677 -5.512 719 HG21 VAL 92 1HG2 VAL 92 -12.517 13.959 -3.358 720 HG22 VAL 92 2HG2 VAL 92 -11.482 15.387 -3.391 721 HG23 VAL 92 3HG2 VAL 92 -13.193 15.529 -3.796 722 H ALA 93 H ALA 93 -9.365 14.638 -6.630 723 HA ALA 93 HA ALA 93 -10.011 13.964 -9.325 724 HB1 ALA 93 1HB ALA 93 -8.919 16.094 -8.591 725 HB2 ALA 93 2HB ALA 93 -7.438 15.171 -8.329 726 HB3 ALA 93 3HB ALA 93 -8.131 15.288 -9.947 727 H GLY 94 H GLY 94 -8.233 12.401 -6.879 728 HA2 GLY 94 2HA GLY 94 -6.658 10.853 -8.816 729 HA3 GLY 94 3HA GLY 94 -6.409 10.880 -7.076 730 H LEU 95 H LEU 95 -8.083 9.839 -5.737 731 HA LEU 95 HA LEU 95 -8.581 7.218 -6.561 732 HB2 LEU 95 2HB LEU 95 -9.670 8.908 -4.338 733 HB3 LEU 95 3HB LEU 95 -10.239 7.258 -4.591 734 HG LEU 95 HG LEU 95 -8.570 7.268 -2.863 735 HD11 LEU 95 1HD1 LEU 95 -7.294 6.189 -5.366 736 HD12 LEU 95 2HD1 LEU 95 -8.625 5.400 -4.520 737 HD13 LEU 95 3HD1 LEU 95 -7.073 5.620 -3.710 738 HD21 LEU 95 1HD2 LEU 95 -6.520 8.297 -4.788 739 HD22 LEU 95 2HD2 LEU 95 -6.451 8.210 -3.028 740 HD23 LEU 95 3HD2 LEU 95 -7.485 9.405 -3.812 741 H LEU 96 H LEU 96 -10.830 9.964 -6.288 742 HA LEU 96 HA LEU 96 -13.000 8.481 -7.449 743 HB2 LEU 96 2HB LEU 96 -12.750 10.796 -5.933 744 HB3 LEU 96 3HB LEU 96 -13.312 11.360 -7.505 745 HG LEU 96 HG LEU 96 -14.760 9.088 -6.253 746 HD11 LEU 96 1HD1 LEU 96 -15.712 11.748 -5.450 747 HD12 LEU 96 2HD1 LEU 96 -14.243 11.199 -4.646 748 HD13 LEU 96 3HD1 LEU 96 -15.710 10.223 -4.564 749 HD21 LEU 96 1HD2 LEU 96 -16.539 9.845 -7.510 750 HD22 LEU 96 2HD2 LEU 96 -15.170 10.272 -8.536 751 HD23 LEU 96 3HD2 LEU 96 -15.948 11.507 -7.544 752 H ASN 97 H ASN 97 -10.284 9.898 -8.724 753 HA ASN 97 HA ASN 97 -9.643 10.591 -10.799 754 HB2 ASN 97 2HB ASN 97 -11.947 8.890 -11.768 755 HB3 ASN 97 3HB ASN 97 -10.467 9.285 -12.639 756 HD21 ASN 97 1HD2 ASN 97 -8.461 8.432 -11.791 757 HD22 ASN 97 2HD2 ASN 97 -8.471 6.918 -10.958 758 H MET 98 H MET 98 -11.620 12.226 -9.412 759 HA MET 98 HA MET 98 -13.514 13.175 -11.337 760 HB2 MET 98 2HB MET 98 -13.485 13.336 -8.697 761 HB3 MET 98 3HB MET 98 -12.650 14.850 -9.021 762 HG2 MET 98 2HG MET 98 -14.884 14.778 -10.728 763 HG3 MET 98 3HG MET 98 -15.439 14.265 -9.136 764 HE1 MET 98 1HE MET 98 -17.030 16.202 -9.332 765 HE2 MET 98 2HE MET 98 -16.528 16.276 -7.643 766 HE3 MET 98 3HE MET 98 -16.645 17.757 -8.593 767 H THR 99 H THR 99 -13.547 15.563 -11.917 768 HA THR 99 HA THR 99 -10.857 16.344 -12.825 769 HB THR 99 HB THR 99 -13.459 17.259 -14.046 770 HG1 THR 99 HG1 THR 99 -13.266 14.978 -14.249 771 HG21 THR 99 1HG2 THR 99 -11.377 17.164 -15.921 772 HG22 THR 99 2HG2 THR 99 -10.678 17.872 -14.465 773 HG23 THR 99 3HG2 THR 99 -12.105 18.601 -15.202 774 H VAL 100 H VAL 100 -11.036 17.162 -10.405 775 HA VAL 100 HA VAL 100 -12.508 19.375 -9.669 776 HB VAL 100 HB VAL 100 -9.618 18.901 -8.928 777 HG11 VAL 100 1HG1 VAL 100 -11.783 20.226 -7.309 778 HG12 VAL 100 2HG1 VAL 100 -10.049 20.189 -6.984 779 HG13 VAL 100 3HG1 VAL 100 -10.672 21.118 -8.348 780 HG21 VAL 100 1HG2 VAL 100 -10.782 16.873 -8.493 781 HG22 VAL 100 2HG2 VAL 100 -10.615 17.710 -6.950 782 HG23 VAL 100 3HG2 VAL 100 -12.158 17.735 -7.803 783 H SER 101 H SER 101 -12.628 21.395 -10.378 784 HA SER 101 HA SER 101 -10.922 22.339 -12.465 785 HB2 SER 101 2HB SER 101 -13.351 23.275 -11.082 786 HB3 SER 101 3HB SER 101 -12.292 24.561 -11.661 787 HG SER 101 HG SER 101 -13.683 24.035 -13.313 788 H THR 102 H THR 102 -11.301 23.092 -9.030 789 HA THR 102 HA THR 102 -8.616 24.246 -9.033 790 HB THR 102 HB THR 102 -9.226 26.237 -7.873 791 HG1 THR 102 HG1 THR 102 -11.522 26.623 -7.436 792 HG21 THR 102 1HG2 THR 102 -9.487 26.407 -10.276 793 HG22 THR 102 2HG2 THR 102 -10.747 27.352 -9.480 794 HG23 THR 102 3HG2 THR 102 -11.130 25.776 -10.171 795 H ALA 103 H ALA 103 -7.570 24.186 -7.019 796 HA ALA 103 HA ALA 103 -8.029 21.991 -5.411 797 HB1 ALA 103 1HB ALA 103 -6.780 24.309 -4.075 798 HB2 ALA 103 2HB ALA 103 -6.206 22.649 -4.251 799 HB3 ALA 103 3HB ALA 103 -6.041 23.785 -5.589 800 H ALA 104 H ALA 104 -9.220 25.289 -5.042 801 HA ALA 104 HA ALA 104 -10.290 25.015 -2.450 802 HB1 ALA 104 1HB ALA 104 -9.952 27.196 -3.398 803 HB2 ALA 104 2HB ALA 104 -11.083 26.849 -4.707 804 HB3 ALA 104 3HB ALA 104 -11.668 26.989 -3.050 805 H ALA 105 H ALA 105 -11.835 24.719 -5.645 806 HA ALA 105 HA ALA 105 -14.416 24.149 -4.830 807 HB1 ALA 105 1HB ALA 105 -13.901 22.536 -7.089 808 HB2 ALA 105 2HB ALA 105 -14.667 24.125 -7.033 809 HB3 ALA 105 3HB ALA 105 -12.922 23.993 -7.255 810 H ALA 106 H ALA 106 -11.662 21.960 -5.186 811 HA ALA 106 HA ALA 106 -13.040 19.550 -4.748 812 HB1 ALA 106 1HB ALA 106 -11.029 18.826 -5.343 813 HB2 ALA 106 2HB ALA 106 -10.306 20.400 -5.006 814 HB3 ALA 106 3HB ALA 106 -10.465 19.208 -3.716 815 H GLU 107 H GLU 107 -11.227 21.615 -2.480 816 HA GLU 107 HA GLU 107 -11.638 20.103 -0.179 817 HB2 GLU 107 2HB GLU 107 -10.054 21.962 -0.276 818 HB3 GLU 107 3HB GLU 107 -11.380 23.104 -0.446 819 HG2 GLU 107 2HG GLU 107 -12.200 22.220 1.802 820 HG3 GLU 107 3HG GLU 107 -10.605 21.484 1.952 821 H ASN 108 H ASN 108 -13.595 22.748 -1.517 822 HA ASN 108 HA ASN 108 -15.509 22.889 0.504 823 HB2 ASN 108 2HB ASN 108 -15.174 23.928 -2.154 824 HB3 ASN 108 3HB ASN 108 -16.834 23.379 -1.948 825 HD21 ASN 108 1HD2 ASN 108 -18.135 24.927 -1.323 826 HD22 ASN 108 2HD2 ASN 108 -17.737 26.236 -0.269 827 H MET 109 H MET 109 -15.311 20.780 -2.319 828 HA MET 109 HA MET 109 -17.881 19.612 -1.989 829 HB2 MET 109 2HB MET 109 -16.026 19.584 -3.973 830 HB3 MET 109 3HB MET 109 -15.786 17.984 -3.282 831 HG2 MET 109 2HG MET 109 -18.400 19.092 -4.282 832 HG3 MET 109 3HG MET 109 -17.366 17.951 -5.138 833 HE1 MET 109 1HE MET 109 -17.596 14.742 -3.013 834 HE2 MET 109 2HE MET 109 -16.711 15.655 -4.234 835 HE3 MET 109 3HE MET 109 -16.470 16.007 -2.522 836 H TYR 110 H TYR 110 -14.616 18.650 -1.004 837 HA TYR 110 HA TYR 110 -15.164 16.133 0.016 838 HB2 TYR 110 2HB TYR 110 -12.965 17.810 -0.049 839 HB3 TYR 110 3HB TYR 110 -13.285 17.638 1.673 840 HD1 TYR 110 HD1 TYR 110 -12.882 15.592 -1.421 841 HD2 TYR 110 HD2 TYR 110 -12.450 15.791 2.807 842 HE1 TYR 110 HE1 TYR 110 -11.759 13.404 -1.439 843 HE2 TYR 110 HE2 TYR 110 -11.324 13.605 2.801 844 HH TYR 110 HH TYR 110 -11.266 11.569 1.313 845 H SER 111 H SER 111 -15.461 19.292 1.586 846 HA SER 111 HA SER 111 -16.383 18.129 4.063 847 HB2 SER 111 2HB SER 111 -16.772 20.556 4.686 848 HB3 SER 111 3HB SER 111 -15.109 20.139 4.273 849 HG SER 111 HG SER 111 -16.983 21.282 2.472 850 H GLN 112 H GLN 112 -17.785 19.746 1.271 851 HA GLN 112 HA GLN 112 -20.366 20.163 2.262 852 HB2 GLN 112 2HB GLN 112 -19.635 21.193 0.198 853 HB3 GLN 112 3HB GLN 112 -19.431 19.618 -0.559 854 HG2 GLN 112 2HG GLN 112 -21.628 19.382 -0.985 855 HG3 GLN 112 3HG GLN 112 -22.117 20.198 0.499 856 HE21 GLN 112 1HE2 GLN 112 -22.923 20.474 -2.375 857 HE22 GLN 112 2HE2 GLN 112 -22.769 22.162 -2.710 858 H MET 113 H MET 113 -18.817 17.301 0.989 859 HA MET 113 HA MET 113 -21.281 15.807 0.802 860 HB2 MET 113 2HB MET 113 -18.680 15.537 -0.234 861 HB3 MET 113 3HB MET 113 -18.921 14.151 0.821 862 HG2 MET 113 2HG MET 113 -21.262 14.180 -0.541 863 HG3 MET 113 3HG MET 113 -20.149 14.800 -1.758 864 HE1 MET 113 1HE MET 113 -19.493 11.524 -3.324 865 HE2 MET 113 2HE MET 113 -20.617 12.883 -3.330 866 HE3 MET 113 3HE MET 113 -18.877 13.177 -3.337 867 H GLY 114 H GLY 114 -18.890 16.462 3.193 868 HA2 GLY 114 2HA GLY 114 -19.415 16.042 5.505 869 HA3 GLY 114 3HA GLY 114 -20.252 14.580 5.004 870 H LEU 115 H LEU 115 -17.165 15.373 3.629 871 HA LEU 115 HA LEU 115 -16.031 13.001 4.898 872 HB2 LEU 115 2HB LEU 115 -14.632 14.659 2.841 873 HB3 LEU 115 3HB LEU 115 -14.468 12.938 3.181 874 HG LEU 115 HG LEU 115 -16.913 14.171 1.921 875 HD11 LEU 115 1HD1 LEU 115 -14.356 13.798 0.778 876 HD12 LEU 115 2HD1 LEU 115 -15.858 14.258 -0.023 877 HD13 LEU 115 3HD1 LEU 115 -15.419 12.556 0.117 878 HD21 LEU 115 1HD2 LEU 115 -15.972 11.351 2.373 879 HD22 LEU 115 2HD2 LEU 115 -17.226 11.762 1.202 880 HD23 LEU 115 3HD2 LEU 115 -17.471 12.106 2.915 881 H ASP 116 H ASP 116 -15.603 16.473 4.731 882 HA ASP 116 HA ASP 116 -13.470 16.254 6.755 883 HB2 ASP 116 2HB ASP 116 -12.931 17.249 4.410 884 HB3 ASP 116 3HB ASP 116 -13.802 18.664 4.994 885 H THR 117 H THR 117 -15.952 16.135 7.724 886 HA THR 117 HA THR 117 -16.283 18.762 8.987 887 HB THR 117 HB THR 117 -18.830 17.378 8.631 888 HG1 THR 117 HG1 THR 117 -17.502 18.407 6.326 889 HG21 THR 117 1HG2 THR 117 -17.719 20.133 8.434 890 HG22 THR 117 2HG2 THR 117 -19.095 19.534 9.360 891 HG23 THR 117 3HG2 THR 117 -19.246 19.791 7.621 892 H ARG 118 H ARG 118 -18.114 18.412 10.799 893 HA ARG 118 HA ARG 118 -17.337 15.987 12.283 894 HB2 ARG 118 2HB ARG 118 -16.439 18.173 13.177 895 HB3 ARG 118 3HB ARG 118 -18.102 18.638 13.507 896 HG2 ARG 118 2HG ARG 118 -18.067 16.280 14.761 897 HG3 ARG 118 3HG ARG 118 -16.358 16.704 14.896 898 HD2 ARG 118 2HD ARG 118 -16.914 18.791 15.962 899 HD3 ARG 118 3HD ARG 118 -18.635 18.509 15.703 900 HE ARG 118 HE ARG 118 -17.486 16.398 17.204 901 HH11 ARG 118 1HH1 ARG 118 -18.534 19.708 17.462 902 HH12 ARG 118 2HH1 ARG 118 -18.881 19.602 19.156 903 HH21 ARG 118 1HH2 ARG 118 -17.940 16.246 19.433 904 HH22 ARG 118 2HH2 ARG 118 -18.543 17.633 20.277 905 HA PRO 119 HA PRO 119 -21.934 15.928 11.619 906 HB2 PRO 119 2HB PRO 119 -22.035 13.302 10.934 907 HB3 PRO 119 3HB PRO 119 -21.722 14.589 9.763 908 HG2 PRO 119 2HG PRO 119 -19.785 12.767 11.136 909 HG3 PRO 119 3HG PRO 119 -19.830 13.278 9.439 910 HD2 PRO 119 2HD PRO 119 -18.153 14.389 11.252 911 HD3 PRO 119 3HD PRO 119 -18.834 15.306 9.894 Start of MODEL 10 1 H1 GLY 2 H GLY 2 0.633 0.672 -6.135 2 HA2 GLY 2 2HA GLY 2 2.837 -0.207 -5.764 3 HA3 GLY 2 3HA GLY 2 3.417 0.799 -7.084 4 H ASN 3 H ASN 3 5.042 1.760 -5.875 5 HA ASN 3 HA ASN 3 4.108 3.853 -4.066 6 HB2 ASN 3 2HB ASN 3 6.519 2.260 -3.259 7 HB3 ASN 3 3HB ASN 3 5.482 3.282 -2.270 8 HD21 ASN 3 1HD2 ASN 3 3.457 2.489 -1.607 9 HD22 ASN 3 2HD2 ASN 3 3.128 0.793 -1.571 10 H GLY 4 H GLY 4 4.653 5.441 -5.518 11 HA2 GLY 4 2HA GLY 4 6.318 7.097 -5.966 12 HA3 GLY 4 3HA GLY 4 7.540 5.836 -5.902 13 H GLN 5 H GLN 5 5.758 4.087 -7.592 14 HA GLN 5 HA GLN 5 5.871 5.492 -10.152 15 HB2 GLN 5 2HB GLN 5 8.044 4.199 -9.652 16 HB3 GLN 5 3HB GLN 5 7.081 2.749 -9.897 17 HG2 GLN 5 2HG GLN 5 6.518 3.516 -12.155 18 HG3 GLN 5 3HG GLN 5 7.519 4.946 -11.906 19 HE21 GLN 5 1HE2 GLN 5 7.638 1.414 -11.892 20 HE22 GLN 5 2HE2 GLN 5 9.261 1.289 -12.467 21 H GLY 6 H GLY 6 3.687 4.600 -8.474 22 HA2 GLY 6 2HA GLY 6 2.607 2.229 -9.749 23 HA3 GLY 6 3HA GLY 6 1.833 3.186 -8.494 24 H ARG 7 H ARG 7 0.583 2.169 -10.856 25 HA ARG 7 HA ARG 7 0.343 4.103 -12.883 26 HB2 ARG 7 2HB ARG 7 -1.326 1.789 -11.977 27 HB3 ARG 7 3HB ARG 7 -1.982 2.911 -13.162 28 HG2 ARG 7 2HG ARG 7 0.156 2.492 -14.489 29 HG3 ARG 7 3HG ARG 7 0.408 1.120 -13.408 30 HD2 ARG 7 2HD ARG 7 -2.292 1.259 -14.510 31 HD3 ARG 7 3HD ARG 7 -1.041 1.081 -15.739 32 HE ARG 7 HE ARG 7 -0.523 -0.763 -13.710 33 HH11 ARG 7 1HH1 ARG 7 -2.932 -0.130 -16.143 34 HH12 ARG 7 2HH1 ARG 7 -3.375 -1.795 -16.324 35 HH21 ARG 7 1HH2 ARG 7 -1.096 -2.959 -13.941 36 HH22 ARG 7 2HH2 ARG 7 -2.330 -3.404 -15.071 37 H ASP 8 H ASP 8 -1.657 3.479 -10.010 38 HA ASP 8 HA ASP 8 -3.485 5.585 -10.480 39 HB2 ASP 8 2HB ASP 8 -2.804 3.837 -8.161 40 HB3 ASP 8 3HB ASP 8 -3.750 5.291 -7.855 41 H TRP 9 H TRP 9 -0.339 5.449 -9.011 42 HA TRP 9 HA TRP 9 -0.488 7.904 -7.587 43 HB2 TRP 9 2HB TRP 9 1.247 5.888 -7.496 44 HB3 TRP 9 3HB TRP 9 2.127 6.917 -8.623 45 HD1 TRP 9 HD1 TRP 9 3.947 8.133 -7.307 46 HE1 TRP 9 HE1 TRP 9 4.084 9.374 -5.057 47 HE3 TRP 9 HE3 TRP 9 -0.798 7.268 -5.612 48 HZ2 TRP 9 HZ2 TRP 9 2.404 9.915 -2.854 49 HZ3 TRP 9 HZ3 TRP 9 -1.452 8.180 -3.423 50 HH2 TRP 9 HH2 TRP 9 0.117 9.476 -2.074 51 H LYS 10 H LYS 10 1.073 7.057 -10.680 52 HA LYS 10 HA LYS 10 1.764 9.720 -11.339 53 HB2 LYS 10 2HB LYS 10 1.671 7.120 -12.794 54 HB3 LYS 10 3HB LYS 10 1.779 8.594 -13.746 55 HG2 LYS 10 2HG LYS 10 3.672 8.587 -11.557 56 HG3 LYS 10 3HG LYS 10 3.880 7.194 -12.621 57 HD2 LYS 10 2HD LYS 10 4.429 8.489 -14.433 58 HD3 LYS 10 3HD LYS 10 3.516 9.883 -13.850 59 HE2 LYS 10 2HE LYS 10 5.200 10.453 -12.293 60 HE3 LYS 10 3HE LYS 10 6.014 8.902 -12.493 61 HZ1 LYS 10 1HZ LYS 10 6.306 9.659 -14.909 62 HZ2 LYS 10 2HZ LYS 10 7.298 10.355 -13.728 63 HZ3 LYS 10 3HZ LYS 10 5.966 11.211 -14.327 64 H MET 11 H MET 11 -1.101 7.790 -11.845 65 HA MET 11 HA MET 11 -2.278 9.546 -13.780 66 HB2 MET 11 2HB MET 11 -3.220 7.185 -12.199 67 HB3 MET 11 3HB MET 11 -4.400 8.204 -13.012 68 HG2 MET 11 2HG MET 11 -2.883 7.846 -15.090 69 HG3 MET 11 3HG MET 11 -2.280 6.462 -14.178 70 HE1 MET 11 1HE MET 11 -4.071 5.680 -17.135 71 HE2 MET 11 2HE MET 11 -2.754 5.178 -16.075 72 HE3 MET 11 3HE MET 11 -4.224 4.208 -16.176 73 H ALA 12 H ALA 12 -2.650 9.029 -10.295 74 HA ALA 12 HA ALA 12 -4.767 10.793 -9.843 75 HB1 ALA 12 1HB ALA 12 -3.969 9.185 -8.180 76 HB2 ALA 12 2HB ALA 12 -2.490 10.127 -7.980 77 HB3 ALA 12 3HB ALA 12 -4.046 10.819 -7.519 78 H ILE 13 H ILE 13 -1.261 11.379 -9.718 79 HA ILE 13 HA ILE 13 -1.512 14.143 -9.090 80 HB ILE 13 HB ILE 13 0.833 12.665 -10.290 81 HG12 ILE 13 2HG1 ILE 13 0.199 13.379 -7.418 82 HG13 ILE 13 3HG1 ILE 13 0.143 11.761 -8.113 83 HG21 ILE 13 1HG2 ILE 13 1.858 14.624 -10.451 84 HG22 ILE 13 2HG2 ILE 13 0.395 15.438 -9.896 85 HG23 ILE 13 3HG2 ILE 13 1.605 14.905 -8.729 86 HD11 ILE 13 1HD1 ILE 13 2.516 13.464 -7.490 87 HD12 ILE 13 2HD1 ILE 13 2.172 11.802 -7.009 88 HD13 ILE 13 3HD1 ILE 13 2.622 12.163 -8.676 89 H LYS 14 H LYS 14 -0.939 12.357 -12.097 90 HA LYS 14 HA LYS 14 -0.481 14.464 -13.826 91 HB2 LYS 14 2HB LYS 14 -0.242 12.160 -14.537 92 HB3 LYS 14 3HB LYS 14 -1.966 11.880 -14.327 93 HG2 LYS 14 2HG LYS 14 -2.479 13.361 -16.151 94 HG3 LYS 14 3HG LYS 14 -0.781 13.812 -16.309 95 HD2 LYS 14 2HD LYS 14 -0.183 11.649 -17.068 96 HD3 LYS 14 3HD LYS 14 -1.748 10.976 -16.606 97 HE2 LYS 14 2HE LYS 14 -2.559 12.893 -18.304 98 HE3 LYS 14 3HE LYS 14 -0.975 12.539 -18.994 99 HZ1 LYS 14 1HZ LYS 14 -2.753 11.184 -19.963 100 HZ2 LYS 14 2HZ LYS 14 -3.076 10.513 -18.444 101 HZ3 LYS 14 3HZ LYS 14 -1.585 10.232 -19.192 102 H ARG 15 H ARG 15 -3.558 13.174 -12.663 103 HA ARG 15 HA ARG 15 -5.148 14.912 -14.296 104 HB2 ARG 15 2HB ARG 15 -5.641 12.882 -12.195 105 HB3 ARG 15 3HB ARG 15 -6.868 14.129 -12.374 106 HG2 ARG 15 2HG ARG 15 -7.368 12.120 -13.687 107 HG3 ARG 15 3HG ARG 15 -7.170 13.552 -14.699 108 HD2 ARG 15 2HD ARG 15 -4.701 12.043 -14.242 109 HD3 ARG 15 3HD ARG 15 -5.945 11.148 -15.114 110 HE ARG 15 HE ARG 15 -4.431 13.397 -16.073 111 HH11 ARG 15 1HH1 ARG 15 -7.364 11.553 -16.420 112 HH12 ARG 15 2HH1 ARG 15 -7.624 12.031 -18.065 113 HH21 ARG 15 1HH2 ARG 15 -4.762 14.035 -18.238 114 HH22 ARG 15 2HH2 ARG 15 -6.144 13.442 -19.099 115 H CYS 16 H CYS 16 -4.071 14.901 -10.928 116 HA CYS 16 HA CYS 16 -5.554 17.073 -10.000 117 HB2 CYS 16 2HB CYS 16 -4.291 15.586 -8.514 118 HB3 CYS 16 3HB CYS 16 -2.778 16.195 -9.175 119 HG CYS 16 HG CYS 16 -4.961 17.767 -7.093 120 H SER 17 H SER 17 -2.795 16.955 -12.078 121 HA SER 17 HA SER 17 -1.764 19.535 -11.689 122 HB2 SER 17 2HB SER 17 -0.392 19.063 -13.452 123 HB3 SER 17 3HB SER 17 -0.997 17.428 -13.186 124 HG SER 17 HG SER 17 -1.172 18.793 -15.384 125 H ASN 18 H ASN 18 -4.680 18.485 -13.117 126 HA ASN 18 HA ASN 18 -5.028 20.958 -14.636 127 HB2 ASN 18 2HB ASN 18 -5.662 18.650 -15.541 128 HB3 ASN 18 3HB ASN 18 -7.015 18.700 -14.415 129 HD21 ASN 18 1HD2 ASN 18 -7.698 18.437 -16.926 130 HD22 ASN 18 2HD2 ASN 18 -8.304 19.910 -17.597 131 H VAL 19 H VAL 19 -4.979 20.835 -11.667 132 HA VAL 19 HA VAL 19 -7.633 22.022 -11.189 133 HB VAL 19 HB VAL 19 -6.004 20.385 -9.239 134 HG11 VAL 19 1HG1 VAL 19 -8.238 20.691 -7.911 135 HG12 VAL 19 2HG1 VAL 19 -6.989 21.937 -7.855 136 HG13 VAL 19 3HG1 VAL 19 -8.393 22.140 -8.903 137 HG21 VAL 19 1HG2 VAL 19 -8.037 18.919 -9.281 138 HG22 VAL 19 2HG2 VAL 19 -8.611 19.861 -10.658 139 HG23 VAL 19 3HG2 VAL 19 -7.111 18.941 -10.782 140 H ALA 20 H ALA 20 -7.549 24.091 -10.636 141 HA ALA 20 HA ALA 20 -5.202 25.561 -10.367 142 HB1 ALA 20 1HB ALA 20 -6.565 27.335 -10.322 143 HB2 ALA 20 2HB ALA 20 -7.858 26.166 -10.590 144 HB3 ALA 20 3HB ALA 20 -7.488 26.710 -8.954 145 H VAL 21 H VAL 21 -4.425 26.771 -8.488 146 HA VAL 21 HA VAL 21 -4.436 25.073 -6.099 147 HB VAL 21 HB VAL 21 -2.231 25.533 -6.923 148 HG11 VAL 21 1HG1 VAL 21 -1.908 28.312 -6.527 149 HG12 VAL 21 2HG1 VAL 21 -1.789 27.403 -8.035 150 HG13 VAL 21 3HG1 VAL 21 -3.335 28.090 -7.537 151 HG21 VAL 21 1HG2 VAL 21 -2.330 27.452 -4.658 152 HG22 VAL 21 2HG2 VAL 21 -2.914 25.811 -4.377 153 HG23 VAL 21 3HG2 VAL 21 -1.261 26.077 -4.931 154 H GLY 22 H GLY 22 -5.377 28.214 -7.244 155 HA2 GLY 22 2HA GLY 22 -7.053 28.717 -5.039 156 HA3 GLY 22 3HA GLY 22 -5.552 29.604 -4.815 157 H VAL 23 H VAL 23 -7.419 31.294 -4.890 158 HA VAL 23 HA VAL 23 -7.765 32.176 -7.681 159 HB VAL 23 HB VAL 23 -9.876 31.687 -6.449 160 HG11 VAL 23 1HG1 VAL 23 -10.610 33.234 -4.701 161 HG12 VAL 23 2HG1 VAL 23 -9.153 32.364 -4.218 162 HG13 VAL 23 3HG1 VAL 23 -9.042 34.040 -4.755 163 HG21 VAL 23 1HG2 VAL 23 -11.011 33.406 -7.451 164 HG22 VAL 23 2HG2 VAL 23 -9.853 34.627 -6.922 165 HG23 VAL 23 3HG2 VAL 23 -9.450 33.551 -8.259 166 H GLY 24 H GLY 24 -6.613 33.019 -4.514 167 HA2 GLY 24 2HA GLY 24 -6.191 35.809 -5.255 168 HA3 GLY 24 3HA GLY 24 -5.875 35.091 -3.683 169 H GLY 25 H GLY 25 -4.388 36.530 -6.165 170 HA2 GLY 25 2HA GLY 25 -1.989 36.773 -6.087 171 HA3 GLY 25 3HA GLY 25 -1.879 35.078 -5.633 172 H LYS 26 H LYS 26 -0.724 34.170 -7.222 173 HA LYS 26 HA LYS 26 -1.337 34.839 -10.003 174 HB2 LYS 26 2HB LYS 26 1.007 33.790 -8.560 175 HB3 LYS 26 3HB LYS 26 0.721 33.051 -10.130 176 HG2 LYS 26 2HG LYS 26 1.810 34.766 -11.016 177 HG3 LYS 26 3HG LYS 26 0.419 35.767 -10.594 178 HD2 LYS 26 2HD LYS 26 1.814 35.614 -8.227 179 HD3 LYS 26 3HD LYS 26 3.096 35.694 -9.437 180 HE2 LYS 26 2HE LYS 26 2.637 37.930 -8.897 181 HE3 LYS 26 3HE LYS 26 1.808 37.657 -10.428 182 HZ1 LYS 26 1HZ LYS 26 -0.261 37.471 -9.315 183 HZ2 LYS 26 2HZ LYS 26 0.485 38.869 -8.723 184 HZ3 LYS 26 3HZ LYS 26 0.470 37.458 -7.789 185 H SER 27 H SER 27 -2.423 33.516 -11.318 186 HA SER 27 HA SER 27 -3.715 31.206 -10.310 187 HB2 SER 27 2HB SER 27 -4.906 31.217 -12.268 188 HB3 SER 27 3HB SER 27 -4.278 32.864 -12.333 189 HG SER 27 HG SER 27 -3.850 30.839 -14.029 190 H LYS 28 H LYS 28 -3.081 29.154 -10.244 191 HA LYS 28 HA LYS 28 -1.256 28.053 -12.179 192 HB2 LYS 28 2HB LYS 28 -0.048 29.234 -10.043 193 HB3 LYS 28 3HB LYS 28 -0.255 27.594 -9.443 194 HG2 LYS 28 2HG LYS 28 1.179 26.698 -10.986 195 HG3 LYS 28 3HG LYS 28 0.899 27.989 -12.157 196 HD2 LYS 28 2HD LYS 28 2.010 29.310 -10.005 197 HD3 LYS 28 3HD LYS 28 2.892 27.782 -10.045 198 HE2 LYS 28 2HE LYS 28 3.405 28.155 -12.416 199 HE3 LYS 28 3HE LYS 28 2.541 29.690 -12.355 200 HZ1 LYS 28 1HZ LYS 28 4.635 29.323 -10.375 201 HZ2 LYS 28 2HZ LYS 28 4.223 30.696 -11.273 202 HZ3 LYS 28 3HZ LYS 28 5.156 29.473 -11.977 203 H LYS 29 H LYS 29 -0.791 25.702 -11.665 204 HA LYS 29 HA LYS 29 -3.136 24.514 -10.329 205 HB2 LYS 29 2HB LYS 29 -1.558 23.225 -12.552 206 HB3 LYS 29 3HB LYS 29 -3.130 22.747 -11.925 207 HG2 LYS 29 2HG LYS 29 -4.054 23.913 -13.563 208 HG3 LYS 29 3HG LYS 29 -3.459 25.381 -12.781 209 HD2 LYS 29 2HD LYS 29 -1.307 25.059 -14.033 210 HD3 LYS 29 3HD LYS 29 -2.098 23.759 -14.927 211 HE2 LYS 29 2HE LYS 29 -2.545 25.460 -16.359 212 HE3 LYS 29 3HE LYS 29 -3.923 25.670 -15.281 213 HZ1 LYS 29 1HZ LYS 29 -2.329 27.655 -15.913 214 HZ2 LYS 29 2HZ LYS 29 -1.453 27.066 -14.591 215 HZ3 LYS 29 3HZ LYS 29 -3.061 27.551 -14.391 216 H PHE 30 H PHE 30 -2.724 22.196 -9.630 217 HA PHE 30 HA PHE 30 -0.492 22.183 -7.851 218 HB2 PHE 30 2HB PHE 30 -2.917 20.645 -8.237 219 HB3 PHE 30 3HB PHE 30 -1.543 19.589 -7.920 220 HD1 PHE 30 HD1 PHE 30 -1.794 18.860 -5.742 221 HD2 PHE 30 HD2 PHE 30 -2.304 22.992 -6.623 222 HE1 PHE 30 HE1 PHE 30 -1.975 19.346 -3.338 223 HE2 PHE 30 HE2 PHE 30 -2.486 23.486 -4.220 224 HZ PHE 30 HZ PHE 30 -2.321 21.661 -2.573 225 H GLY 31 H GLY 31 0.616 19.803 -7.725 226 HA2 GLY 31 2HA GLY 31 1.307 18.542 -10.149 227 HA3 GLY 31 3HA GLY 31 2.512 19.768 -9.783 228 H GLU 32 H GLU 32 3.536 17.379 -9.919 229 HA GLU 32 HA GLU 32 3.385 15.638 -7.768 230 HB2 GLU 32 2HB GLU 32 4.646 15.302 -9.931 231 HB3 GLU 32 3HB GLU 32 5.926 16.300 -9.256 232 HG2 GLU 32 2HG GLU 32 5.818 14.595 -7.284 233 HG3 GLU 32 3HG GLU 32 5.057 13.558 -8.488 234 H GLY 33 H GLY 33 4.930 18.745 -8.008 235 HA2 GLY 33 2HA GLY 33 6.599 18.440 -5.698 236 HA3 GLY 33 3HA GLY 33 6.232 19.946 -6.527 237 H ASN 34 H ASN 34 3.798 20.586 -6.223 238 HA ASN 34 HA ASN 34 3.436 21.307 -3.571 239 HB2 ASN 34 2HB ASN 34 2.083 21.721 -6.013 240 HB3 ASN 34 3HB ASN 34 0.880 21.110 -4.881 241 HD21 ASN 34 1HD2 ASN 34 3.599 23.394 -4.911 242 HD22 ASN 34 2HD2 ASN 34 2.781 24.638 -4.034 243 H PHE 35 H PHE 35 2.289 18.479 -5.309 244 HA PHE 35 HA PHE 35 0.481 17.555 -3.343 245 HB2 PHE 35 2HB PHE 35 0.309 16.679 -5.567 246 HB3 PHE 35 3HB PHE 35 1.978 16.119 -5.537 247 HD1 PHE 35 HD1 PHE 35 -1.032 15.716 -3.362 248 HD2 PHE 35 HD2 PHE 35 2.188 13.846 -5.423 249 HE1 PHE 35 HE1 PHE 35 -1.790 13.521 -2.548 250 HE2 PHE 35 HE2 PHE 35 1.435 11.648 -4.614 251 HZ PHE 35 HZ PHE 35 -0.556 11.484 -3.175 252 H ARG 36 H ARG 36 3.727 16.314 -4.158 253 HA ARG 36 HA ARG 36 3.984 14.640 -1.940 254 HB2 ARG 36 2HB ARG 36 6.134 16.044 -3.535 255 HB3 ARG 36 3HB ARG 36 6.425 14.733 -2.400 256 HG2 ARG 36 2HG ARG 36 4.563 14.404 -4.724 257 HG3 ARG 36 3HG ARG 36 6.305 14.166 -4.885 258 HD2 ARG 36 2HD ARG 36 4.557 12.735 -2.888 259 HD3 ARG 36 3HD ARG 36 5.039 12.071 -4.450 260 HE ARG 36 HE ARG 36 7.299 12.893 -2.936 261 HH11 ARG 36 1HH1 ARG 36 4.919 10.366 -3.219 262 HH12 ARG 36 2HH1 ARG 36 5.941 9.148 -2.532 263 HH21 ARG 36 1HH2 ARG 36 8.654 11.296 -2.030 264 HH22 ARG 36 2HH2 ARG 36 8.065 9.678 -1.855 265 H TRP 37 H TRP 37 4.262 18.060 -2.208 266 HA TRP 37 HA TRP 37 5.914 18.525 0.055 267 HB2 TRP 37 2HB TRP 37 5.753 20.305 -1.490 268 HB3 TRP 37 3HB TRP 37 3.993 20.247 -1.499 269 HD1 TRP 37 HD1 TRP 37 6.934 21.539 0.585 270 HE1 TRP 37 HE1 TRP 37 6.050 23.278 2.263 271 HE3 TRP 37 HE3 TRP 37 1.918 20.955 -0.210 272 HZ2 TRP 37 HZ2 TRP 37 3.555 24.271 3.135 273 HZ3 TRP 37 HZ3 TRP 37 0.349 22.337 1.087 274 HH2 TRP 37 HH2 TRP 37 1.153 23.960 2.726 275 H ALA 38 H ALA 38 2.386 18.771 -0.396 276 HA ALA 38 HA ALA 38 1.861 19.232 2.365 277 HB1 ALA 38 1HB ALA 38 0.125 20.040 1.150 278 HB2 ALA 38 2HB ALA 38 0.240 18.769 -0.068 279 HB3 ALA 38 3HB ALA 38 -0.525 18.435 1.485 280 H ILE 39 H ILE 39 1.989 16.376 0.327 281 HA ILE 39 HA ILE 39 0.742 14.560 2.069 282 HB ILE 39 HB ILE 39 2.832 14.143 -0.064 283 HG12 ILE 39 2HG1 ILE 39 0.547 14.896 -0.742 284 HG13 ILE 39 3HG1 ILE 39 0.988 13.318 -1.386 285 HG21 ILE 39 1HG2 ILE 39 1.881 11.695 0.177 286 HG22 ILE 39 2HG2 ILE 39 3.235 12.254 1.157 287 HG23 ILE 39 3HG2 ILE 39 1.610 12.213 1.840 288 HD11 ILE 39 1HD1 ILE 39 -0.401 13.174 1.168 289 HD12 ILE 39 2HD1 ILE 39 -1.349 13.926 -0.116 290 HD13 ILE 39 3HD1 ILE 39 -0.692 12.305 -0.338 291 H ARG 40 H ARG 40 4.207 15.251 1.588 292 HA ARG 40 HA ARG 40 5.147 13.534 3.600 293 HB2 ARG 40 2HB ARG 40 6.539 14.557 1.795 294 HB3 ARG 40 3HB ARG 40 6.437 16.095 2.642 295 HG2 ARG 40 2HG ARG 40 7.857 15.437 4.301 296 HG3 ARG 40 3HG ARG 40 7.436 13.731 4.137 297 HD2 ARG 40 2HD ARG 40 9.439 13.588 3.122 298 HD3 ARG 40 3HD ARG 40 8.559 14.205 1.725 299 HE ARG 40 HE ARG 40 9.715 16.171 1.909 300 HH11 ARG 40 1HH1 ARG 40 10.065 14.360 4.861 301 HH12 ARG 40 2HH1 ARG 40 11.253 15.429 5.529 302 HH21 ARG 40 1HH2 ARG 40 11.278 17.586 2.778 303 HH22 ARG 40 2HH2 ARG 40 11.942 17.264 4.344 304 H MET 41 H MET 41 4.528 17.041 3.677 305 HA MET 41 HA MET 41 5.226 17.468 6.348 306 HB2 MET 41 2HB MET 41 3.242 18.907 4.584 307 HB3 MET 41 3HB MET 41 3.723 19.481 6.175 308 HG2 MET 41 2HG MET 41 5.964 18.881 4.398 309 HG3 MET 41 3HG MET 41 4.907 20.169 3.824 310 HE1 MET 41 1HE MET 41 7.574 18.979 6.016 311 HE2 MET 41 2HE MET 41 8.249 20.336 5.114 312 HE3 MET 41 3HE MET 41 8.135 20.414 6.874 313 H ALA 42 H ALA 42 2.012 16.861 4.934 314 HA ALA 42 HA ALA 42 0.500 16.921 7.246 315 HB1 ALA 42 1HB ALA 42 0.056 15.033 4.940 316 HB2 ALA 42 2HB ALA 42 -1.152 15.642 6.070 317 HB3 ALA 42 3HB ALA 42 -0.382 16.741 4.926 318 H ASN 43 H ASN 43 2.485 14.316 5.955 319 HA ASN 43 HA ASN 43 1.597 12.275 7.683 320 HB2 ASN 43 2HB ASN 43 4.252 12.638 6.280 321 HB3 ASN 43 3HB ASN 43 3.755 11.160 7.098 322 HD21 ASN 43 1HD2 ASN 43 4.424 10.928 4.547 323 HD22 ASN 43 2HD2 ASN 43 3.035 10.707 3.544 324 H VAL 44 H VAL 44 4.559 14.260 7.852 325 HA VAL 44 HA VAL 44 5.383 13.361 10.376 326 HB VAL 44 HB VAL 44 5.935 16.040 9.091 327 HG11 VAL 44 1HG1 VAL 44 6.602 15.019 11.660 328 HG12 VAL 44 2HG1 VAL 44 8.079 15.125 10.699 329 HG13 VAL 44 3HG1 VAL 44 7.068 16.553 10.927 330 HG21 VAL 44 1HG2 VAL 44 6.864 14.662 7.546 331 HG22 VAL 44 2HG2 VAL 44 8.187 14.651 8.711 332 HG23 VAL 44 3HG2 VAL 44 7.030 13.321 8.678 333 H SER 45 H SER 45 3.273 16.018 9.418 334 HA SER 45 HA SER 45 3.059 17.226 11.962 335 HB2 SER 45 2HB SER 45 2.212 18.703 10.464 336 HB3 SER 45 3HB SER 45 1.679 17.431 9.365 337 HG SER 45 HG SER 45 0.338 18.626 11.501 338 H THR 46 H THR 46 1.623 14.414 10.578 339 HA THR 46 HA THR 46 -0.302 14.239 12.797 340 HB THR 46 HB THR 46 -1.386 12.436 11.452 341 HG1 THR 46 HG1 THR 46 -0.627 11.928 9.489 342 HG21 THR 46 1HG2 THR 46 -1.829 14.258 9.449 343 HG22 THR 46 2HG2 THR 46 -1.252 15.277 10.769 344 HG23 THR 46 3HG2 THR 46 -2.654 14.235 11.007 345 H GLY 47 H GLY 47 2.738 13.307 12.123 346 HA2 GLY 47 2HA GLY 47 4.119 11.615 12.837 347 HA3 GLY 47 3HA GLY 47 3.006 11.496 14.192 348 H ARG 48 H ARG 48 2.209 10.858 10.821 349 HA ARG 48 HA ARG 48 1.344 8.183 11.574 350 HB2 ARG 48 2HB ARG 48 0.014 9.862 10.121 351 HB3 ARG 48 3HB ARG 48 1.101 9.376 8.827 352 HG2 ARG 48 2HG ARG 48 0.282 7.201 8.786 353 HG3 ARG 48 3HG ARG 48 -0.426 7.339 10.397 354 HD2 ARG 48 2HD ARG 48 -1.369 8.988 8.066 355 HD3 ARG 48 3HD ARG 48 -2.030 7.393 8.425 356 HE ARG 48 HE ARG 48 -2.532 9.840 9.850 357 HH11 ARG 48 1HH1 ARG 48 -2.521 6.364 10.030 358 HH12 ARG 48 2HH1 ARG 48 -3.671 6.297 11.324 359 HH21 ARG 48 1HH2 ARG 48 -4.046 9.765 11.554 360 HH22 ARG 48 2HH2 ARG 48 -4.538 8.232 12.189 361 H GLU 49 H GLU 49 4.045 8.318 11.732 362 HA GLU 49 HA GLU 49 5.942 7.243 11.084 363 HB2 GLU 49 2HB GLU 49 3.765 5.692 9.900 364 HB3 GLU 49 3HB GLU 49 5.277 5.539 9.016 365 HG2 GLU 49 2HG GLU 49 5.502 3.834 10.506 366 HG3 GLU 49 3HG GLU 49 6.271 5.139 11.408 367 HA PRO 50 HA PRO 50 7.608 9.346 7.615 368 HB2 PRO 50 2HB PRO 50 9.578 7.666 6.801 369 HB3 PRO 50 3HB PRO 50 9.680 8.617 8.287 370 HG2 PRO 50 2HG PRO 50 8.929 5.742 7.927 371 HG3 PRO 50 3HG PRO 50 9.976 6.479 9.153 372 HD2 PRO 50 2HD PRO 50 7.404 5.797 9.654 373 HD3 PRO 50 3HD PRO 50 8.194 7.183 10.434 374 H GLY 51 H GLY 51 7.269 5.859 6.915 375 HA2 GLY 51 2HA GLY 51 6.897 6.354 4.099 376 HA3 GLY 51 3HA GLY 51 6.804 4.797 4.908 377 H ASP 52 H ASP 52 5.031 7.792 4.295 378 HA ASP 52 HA ASP 52 2.528 6.276 4.647 379 HB2 ASP 52 2HB ASP 52 3.370 8.701 5.888 380 HB3 ASP 52 3HB ASP 52 2.028 9.077 4.811 381 H ILE 53 H ILE 53 2.295 5.666 2.514 382 HA ILE 53 HA ILE 53 2.012 7.854 0.561 383 HB ILE 53 HB ILE 53 2.518 4.943 -0.055 384 HG12 ILE 53 2HG1 ILE 53 4.450 5.884 1.101 385 HG13 ILE 53 3HG1 ILE 53 4.821 5.649 -0.603 386 HG21 ILE 53 1HG2 ILE 53 1.785 7.232 -1.644 387 HG22 ILE 53 2HG2 ILE 53 3.336 6.573 -2.163 388 HG23 ILE 53 3HG2 ILE 53 1.912 5.535 -2.109 389 HD11 ILE 53 1HD1 ILE 53 3.831 8.251 -0.403 390 HD12 ILE 53 2HD1 ILE 53 4.918 8.039 0.972 391 HD13 ILE 53 3HD1 ILE 53 5.501 7.749 -0.667 392 HA PRO 54 HA PRO 54 -2.234 6.127 1.291 393 HB2 PRO 54 2HB PRO 54 -3.455 8.550 1.373 394 HB3 PRO 54 3HB PRO 54 -2.728 7.793 2.794 395 HG2 PRO 54 2HG PRO 54 -1.616 9.918 1.003 396 HG3 PRO 54 3HG PRO 54 -1.571 9.810 2.773 397 HD2 PRO 54 2HD PRO 54 0.542 9.141 1.217 398 HD3 PRO 54 3HD PRO 54 0.201 8.336 2.761 399 H GLU 55 H GLU 55 -3.502 5.584 -0.377 400 HA GLU 55 HA GLU 55 -3.847 7.394 -2.625 401 HB2 GLU 55 2HB GLU 55 -1.812 5.910 -3.054 402 HB3 GLU 55 3HB GLU 55 -2.944 4.567 -3.149 403 HG2 GLU 55 2HG GLU 55 -4.153 5.981 -4.919 404 HG3 GLU 55 3HG GLU 55 -2.662 6.919 -4.976 405 H THR 56 H THR 56 -5.667 6.610 -0.667 406 HA THR 56 HA THR 56 -7.655 5.267 -2.328 407 HB THR 56 HB THR 56 -8.338 3.699 -0.674 408 HG1 THR 56 HG1 THR 56 -7.360 3.653 1.396 409 HG21 THR 56 1HG2 THR 56 -6.455 2.247 -0.520 410 HG22 THR 56 2HG2 THR 56 -5.325 3.598 -0.614 411 HG23 THR 56 3HG2 THR 56 -6.281 3.148 -2.025 412 H LEU 57 H LEU 57 -9.803 5.778 -1.806 413 HA LEU 57 HA LEU 57 -10.325 8.344 -0.942 414 HB2 LEU 57 2HB LEU 57 -11.803 6.528 -2.141 415 HB3 LEU 57 3HB LEU 57 -12.378 6.229 -0.502 416 HG LEU 57 HG LEU 57 -13.108 8.569 -0.344 417 HD11 LEU 57 1HD1 LEU 57 -13.203 9.491 -2.924 418 HD12 LEU 57 2HD1 LEU 57 -11.598 8.767 -2.830 419 HD13 LEU 57 3HD1 LEU 57 -12.068 10.021 -1.683 420 HD21 LEU 57 1HD2 LEU 57 -14.231 7.380 -2.863 421 HD22 LEU 57 2HD2 LEU 57 -15.059 8.324 -1.623 422 HD23 LEU 57 3HD2 LEU 57 -14.538 6.674 -1.275 423 H ASP 58 H ASP 58 -10.242 5.359 0.920 424 HA ASP 58 HA ASP 58 -11.272 6.486 3.323 425 HB2 ASP 58 2HB ASP 58 -9.975 3.926 2.540 426 HB3 ASP 58 3HB ASP 58 -9.945 4.358 4.248 427 H GLN 59 H GLN 59 -8.083 6.182 1.923 428 HA GLN 59 HA GLN 59 -6.620 6.804 4.280 429 HB2 GLN 59 2HB GLN 59 -6.050 6.340 1.463 430 HB3 GLN 59 3HB GLN 59 -5.048 7.619 2.137 431 HG2 GLN 59 2HG GLN 59 -3.773 5.740 2.508 432 HG3 GLN 59 3HG GLN 59 -4.603 5.944 4.050 433 HE21 GLN 59 1HE2 GLN 59 -4.174 3.968 1.274 434 HE22 GLN 59 2HE2 GLN 59 -5.175 2.654 1.781 435 H LEU 60 H LEU 60 -7.400 8.767 1.403 436 HA LEU 60 HA LEU 60 -6.370 11.181 2.336 437 HB2 LEU 60 2HB LEU 60 -8.453 10.434 0.338 438 HB3 LEU 60 3HB LEU 60 -8.263 12.129 0.783 439 HG LEU 60 HG LEU 60 -7.060 11.530 -1.284 440 HD11 LEU 60 1HD1 LEU 60 -6.119 12.988 0.914 441 HD12 LEU 60 2HD1 LEU 60 -5.639 13.152 -0.774 442 HD13 LEU 60 3HD1 LEU 60 -4.734 12.085 0.298 443 HD21 LEU 60 1HD2 LEU 60 -5.027 10.151 -1.113 444 HD22 LEU 60 2HD2 LEU 60 -6.495 9.232 -0.780 445 HD23 LEU 60 3HD2 LEU 60 -5.457 9.751 0.549 446 H ARG 61 H ARG 61 -9.596 9.778 2.725 447 HA ARG 61 HA ARG 61 -10.848 11.961 3.936 448 HB2 ARG 61 2HB ARG 61 -12.098 10.028 3.142 449 HB3 ARG 61 3HB ARG 61 -11.327 9.006 4.347 450 HG2 ARG 61 2HG ARG 61 -12.396 10.321 6.124 451 HG3 ARG 61 3HG ARG 61 -13.200 11.299 4.894 452 HD2 ARG 61 2HD ARG 61 -14.405 9.384 4.084 453 HD3 ARG 61 3HD ARG 61 -13.497 8.310 5.148 454 HE ARG 61 HE ARG 61 -15.793 9.849 5.830 455 HH11 ARG 61 1HH1 ARG 61 -12.802 8.591 7.092 456 HH12 ARG 61 2HH1 ARG 61 -13.362 8.545 8.732 457 HH21 ARG 61 1HH2 ARG 61 -16.542 9.792 7.984 458 HH22 ARG 61 2HH2 ARG 61 -15.490 9.228 9.237 459 H LEU 62 H LEU 62 -9.171 9.201 5.431 460 HA LEU 62 HA LEU 62 -9.528 9.924 8.095 461 HB2 LEU 62 2HB LEU 62 -8.084 7.983 6.656 462 HB3 LEU 62 3HB LEU 62 -6.926 8.780 7.718 463 HG LEU 62 HG LEU 62 -7.759 6.838 8.832 464 HD11 LEU 62 1HD1 LEU 62 -7.930 7.874 10.796 465 HD12 LEU 62 2HD1 LEU 62 -9.430 8.678 10.334 466 HD13 LEU 62 3HD1 LEU 62 -7.877 9.383 9.885 467 HD21 LEU 62 1HD2 LEU 62 -9.984 7.049 7.390 468 HD22 LEU 62 2HD2 LEU 62 -10.567 7.787 8.883 469 HD23 LEU 62 3HD2 LEU 62 -9.922 6.145 8.903 470 H VAL 63 H VAL 63 -6.879 10.751 5.876 471 HA VAL 63 HA VAL 63 -5.321 12.214 7.680 472 HB VAL 63 HB VAL 63 -5.578 12.781 4.727 473 HG11 VAL 63 1HG1 VAL 63 -4.322 14.419 6.128 474 HG12 VAL 63 2HG1 VAL 63 -3.211 13.119 6.562 475 HG13 VAL 63 3HG1 VAL 63 -3.348 13.638 4.882 476 HG21 VAL 63 1HG2 VAL 63 -4.812 10.732 4.340 477 HG22 VAL 63 2HG2 VAL 63 -3.337 11.164 5.204 478 HG23 VAL 63 3HG2 VAL 63 -4.676 10.407 6.068 479 H ILE 64 H ILE 64 -7.781 13.355 5.372 480 HA ILE 64 HA ILE 64 -7.652 16.066 5.923 481 HB ILE 64 HB ILE 64 -10.106 14.453 5.219 482 HG12 ILE 64 2HG1 ILE 64 -8.619 16.127 3.253 483 HG13 ILE 64 3HG1 ILE 64 -7.903 14.590 3.722 484 HG21 ILE 64 1HG2 ILE 64 -11.009 16.578 4.380 485 HG22 ILE 64 2HG2 ILE 64 -10.717 16.621 6.118 486 HG23 ILE 64 3HG2 ILE 64 -9.594 17.417 5.016 487 HD11 ILE 64 1HD1 ILE 64 -9.137 13.725 2.087 488 HD12 ILE 64 2HD1 ILE 64 -10.498 13.902 3.196 489 HD13 ILE 64 3HD1 ILE 64 -10.172 15.151 1.994 490 H CYS 65 H CYS 65 -9.236 13.495 7.701 491 HA CYS 65 HA CYS 65 -10.800 15.141 9.392 492 HB2 CYS 65 2HB CYS 65 -10.980 12.597 8.959 493 HB3 CYS 65 3HB CYS 65 -9.743 12.444 10.200 494 HG CYS 65 HG CYS 65 -11.643 14.228 11.818 495 H ASP 66 H ASP 66 -7.749 13.406 10.028 496 HA ASP 66 HA ASP 66 -7.293 14.541 12.556 497 HB2 ASP 66 2HB ASP 66 -5.079 13.673 10.708 498 HB3 ASP 66 3HB ASP 66 -5.150 13.563 12.465 499 H LEU 67 H LEU 67 -5.871 15.386 9.398 500 HA LEU 67 HA LEU 67 -4.320 17.530 10.197 501 HB2 LEU 67 2HB LEU 67 -4.412 16.452 7.927 502 HB3 LEU 67 3HB LEU 67 -5.862 17.405 7.613 503 HG LEU 67 HG LEU 67 -4.274 19.418 8.206 504 HD11 LEU 67 1HD1 LEU 67 -2.003 19.114 7.756 505 HD12 LEU 67 2HD1 LEU 67 -2.263 17.523 7.041 506 HD13 LEU 67 3HD1 LEU 67 -2.429 17.745 8.784 507 HD21 LEU 67 1HD2 LEU 67 -4.336 19.882 6.004 508 HD22 LEU 67 2HD2 LEU 67 -5.346 18.437 5.930 509 HD23 LEU 67 3HD2 LEU 67 -3.627 18.332 5.547 510 H GLN 68 H GLN 68 -7.764 17.426 9.456 511 HA GLN 68 HA GLN 68 -8.251 20.192 9.460 512 HB2 GLN 68 2HB GLN 68 -9.910 18.695 8.585 513 HB3 GLN 68 3HB GLN 68 -10.042 17.855 10.125 514 HG2 GLN 68 2HG GLN 68 -10.581 20.683 10.399 515 HG3 GLN 68 3HG GLN 68 -11.641 19.920 9.215 516 HE21 GLN 68 1HE2 GLN 68 -13.389 18.948 9.955 517 HE22 GLN 68 2HE2 GLN 68 -13.659 18.453 11.588 518 H GLU 69 H GLU 69 -8.543 17.795 12.074 519 HA GLU 69 HA GLU 69 -9.429 19.474 14.091 520 HB2 GLU 69 2HB GLU 69 -8.040 16.880 13.959 521 HB3 GLU 69 3HB GLU 69 -7.816 17.759 15.466 522 HG2 GLU 69 2HG GLU 69 -10.140 17.790 15.900 523 HG3 GLU 69 3HG GLU 69 -10.521 17.231 14.273 524 H ARG 70 H ARG 70 -6.112 18.799 13.048 525 HA ARG 70 HA ARG 70 -4.905 20.441 15.048 526 HB2 ARG 70 2HB ARG 70 -3.698 19.545 12.428 527 HB3 ARG 70 3HB ARG 70 -2.838 20.055 13.875 528 HG2 ARG 70 2HG ARG 70 -4.252 18.018 14.895 529 HG3 ARG 70 3HG ARG 70 -4.092 17.468 13.225 530 HD2 ARG 70 2HD ARG 70 -1.690 17.661 13.348 531 HD3 ARG 70 3HD ARG 70 -1.797 18.357 14.964 532 HE ARG 70 HE ARG 70 -1.842 15.597 14.294 533 HH11 ARG 70 1HH1 ARG 70 -3.151 17.931 16.520 534 HH12 ARG 70 2HH1 ARG 70 -3.401 16.777 17.788 535 HH21 ARG 70 1HH2 ARG 70 -2.165 14.067 15.955 536 HH22 ARG 70 2HH2 ARG 70 -2.838 14.578 17.466 537 H ARG 71 H ARG 71 -6.093 20.951 11.805 538 HA ARG 71 HA ARG 71 -4.792 23.373 11.231 539 HB2 ARG 71 2HB ARG 71 -5.886 22.190 9.462 540 HB3 ARG 71 3HB ARG 71 -7.432 22.248 10.300 541 HG2 ARG 71 2HG ARG 71 -6.163 24.841 9.666 542 HG3 ARG 71 3HG ARG 71 -6.791 23.900 8.312 543 HD2 ARG 71 2HD ARG 71 -8.767 23.766 10.275 544 HD3 ARG 71 3HD ARG 71 -8.208 25.438 10.301 545 HE ARG 71 HE ARG 71 -8.569 24.889 7.655 546 HH11 ARG 71 1HH1 ARG 71 -10.572 24.700 10.497 547 HH12 ARG 71 2HH1 ARG 71 -12.045 25.012 9.638 548 HH21 ARG 71 1HH2 ARG 71 -10.502 25.300 6.514 549 HH22 ARG 71 2HH2 ARG 71 -12.004 25.352 7.373 550 H GLU 72 H GLU 72 -7.749 22.655 13.000 551 HA GLU 72 HA GLU 72 -8.485 25.422 13.290 552 HB2 GLU 72 2HB GLU 72 -9.764 22.940 13.639 553 HB3 GLU 72 3HB GLU 72 -9.733 23.690 15.228 554 HG2 GLU 72 2HG GLU 72 -10.602 25.785 13.943 555 HG3 GLU 72 3HG GLU 72 -11.081 24.596 12.733 556 H LYS 73 H LYS 73 -7.445 22.899 15.588 557 HA LYS 73 HA LYS 73 -7.175 24.490 17.834 558 HB2 LYS 73 2HB LYS 73 -5.832 21.970 16.930 559 HB3 LYS 73 3HB LYS 73 -5.285 22.763 18.401 560 HG2 LYS 73 2HG LYS 73 -8.190 22.372 18.194 561 HG3 LYS 73 3HG LYS 73 -7.228 20.898 18.313 562 HD2 LYS 73 2HD LYS 73 -6.070 21.987 20.291 563 HD3 LYS 73 3HD LYS 73 -7.345 23.205 20.240 564 HE2 LYS 73 2HE LYS 73 -8.788 20.897 20.154 565 HE3 LYS 73 3HE LYS 73 -7.422 20.420 21.164 566 HZ1 LYS 73 1HZ LYS 73 -7.889 22.212 22.659 567 HZ2 LYS 73 2HZ LYS 73 -9.313 21.329 22.431 568 HZ3 LYS 73 3HZ LYS 73 -9.106 22.816 21.651 569 H PHE 74 H PHE 74 -5.098 24.212 15.059 570 HA PHE 74 HA PHE 74 -3.003 25.786 16.358 571 HB2 PHE 74 2HB PHE 74 -2.506 23.728 14.931 572 HB3 PHE 74 3HB PHE 74 -2.956 24.709 13.541 573 HD1 PHE 74 HD1 PHE 74 -0.470 24.153 16.155 574 HD2 PHE 74 HD2 PHE 74 -1.555 26.536 12.800 575 HE1 PHE 74 HE1 PHE 74 1.819 25.051 16.058 576 HE2 PHE 74 HE2 PHE 74 0.731 27.438 12.697 577 HZ PHE 74 HZ PHE 74 2.422 26.695 14.326 578 H GLY 75 H GLY 75 -5.600 26.078 14.101 579 HA2 GLY 75 2HA GLY 75 -6.535 28.211 13.578 580 HA3 GLY 75 3HA GLY 75 -4.941 28.923 13.780 581 H SER 76 H SER 76 -6.380 29.605 11.594 582 HA SER 76 HA SER 76 -5.753 27.917 9.351 583 HB2 SER 76 2HB SER 76 -6.623 29.900 8.025 584 HB3 SER 76 3HB SER 76 -7.760 29.199 9.176 585 HG SER 76 HG SER 76 -7.874 31.320 9.596 586 H SER 77 H SER 77 -4.023 27.992 8.058 587 HA SER 77 HA SER 77 -2.330 30.360 7.994 588 HB2 SER 77 2HB SER 77 -0.459 29.451 8.934 589 HB3 SER 77 3HB SER 77 -1.646 28.469 9.790 590 HG SER 77 HG SER 77 -0.223 27.042 8.929 591 H LYS 78 H LYS 78 -0.711 30.270 6.275 592 HA LYS 78 HA LYS 78 -1.780 29.377 3.847 593 HB2 LYS 78 2HB LYS 78 0.592 30.772 4.742 594 HB3 LYS 78 3HB LYS 78 0.981 29.648 3.446 595 HG2 LYS 78 2HG LYS 78 -0.849 30.675 2.101 596 HG3 LYS 78 3HG LYS 78 -1.033 31.883 3.375 597 HD2 LYS 78 2HD LYS 78 1.334 32.523 3.062 598 HD3 LYS 78 3HD LYS 78 1.446 31.369 1.730 599 HE2 LYS 78 2HE LYS 78 0.635 32.886 0.328 600 HE3 LYS 78 3HE LYS 78 -0.828 33.024 1.301 601 HZ1 LYS 78 1HZ LYS 78 1.668 34.599 1.556 602 HZ2 LYS 78 2HZ LYS 78 0.456 34.604 2.735 603 HZ3 LYS 78 3HZ LYS 78 0.119 35.166 1.176 604 H GLU 79 H GLU 79 0.555 27.914 6.032 605 HA GLU 79 HA GLU 79 1.376 25.831 4.294 606 HB2 GLU 79 2HB GLU 79 2.418 26.707 6.535 607 HB3 GLU 79 3HB GLU 79 1.360 25.510 7.271 608 HG2 GLU 79 2HG GLU 79 2.588 24.122 5.227 609 HG3 GLU 79 3HG GLU 79 3.864 25.160 5.861 610 H ILE 80 H ILE 80 -0.760 25.698 7.151 611 HA ILE 80 HA ILE 80 -1.684 23.094 6.714 612 HB ILE 80 HB ILE 80 -3.115 25.364 8.101 613 HG12 ILE 80 2HG1 ILE 80 -1.403 23.167 9.278 614 HG13 ILE 80 3HG1 ILE 80 -0.833 24.805 8.975 615 HG21 ILE 80 1HG2 ILE 80 -4.784 23.807 7.838 616 HG22 ILE 80 2HG2 ILE 80 -3.666 22.444 7.871 617 HG23 ILE 80 3HG2 ILE 80 -4.076 23.285 9.366 618 HD11 ILE 80 1HD1 ILE 80 -2.018 23.848 11.288 619 HD12 ILE 80 2HD1 ILE 80 -1.707 25.535 10.874 620 HD13 ILE 80 3HD1 ILE 80 -3.274 24.811 10.511 621 H ASP 81 H ASP 81 -2.662 26.137 5.336 622 HA ASP 81 HA ASP 81 -5.200 25.381 4.371 623 HB2 ASP 81 2HB ASP 81 -4.703 27.700 4.412 624 HB3 ASP 81 3HB ASP 81 -3.221 27.476 3.486 625 H MET 82 H MET 82 -2.047 25.502 2.710 626 HA MET 82 HA MET 82 -2.977 24.344 0.308 627 HB2 MET 82 2HB MET 82 -0.254 24.716 1.521 628 HB3 MET 82 3HB MET 82 -0.455 23.824 0.018 629 HG2 MET 82 2HG MET 82 -1.181 25.697 -1.145 630 HG3 MET 82 3HG MET 82 -1.592 26.570 0.330 631 HE1 MET 82 1HE MET 82 1.797 26.048 -2.181 632 HE2 MET 82 2HE MET 82 0.134 26.570 -2.449 633 HE3 MET 82 3HE MET 82 1.400 27.766 -2.169 634 H ALA 83 H ALA 83 -1.974 22.999 3.341 635 HA ALA 83 HA ALA 83 -1.347 20.384 2.465 636 HB1 ALA 83 1HB ALA 83 -0.720 20.208 4.583 637 HB2 ALA 83 2HB ALA 83 -1.456 21.773 4.932 638 HB3 ALA 83 3HB ALA 83 -2.404 20.296 5.101 639 H ILE 84 H ILE 84 -4.264 21.535 4.174 640 HA ILE 84 HA ILE 84 -5.783 19.232 3.860 641 HB ILE 84 HB ILE 84 -6.503 20.959 5.372 642 HG12 ILE 84 2HG1 ILE 84 -8.788 21.291 3.623 643 HG13 ILE 84 3HG1 ILE 84 -8.177 19.641 3.553 644 HG21 ILE 84 1HG2 ILE 84 -7.102 22.691 2.982 645 HG22 ILE 84 2HG2 ILE 84 -7.262 23.120 4.684 646 HG23 ILE 84 3HG2 ILE 84 -5.663 22.856 3.989 647 HD11 ILE 84 1HD1 ILE 84 -9.462 21.100 5.776 648 HD12 ILE 84 2HD1 ILE 84 -9.601 19.411 5.289 649 HD13 ILE 84 3HD1 ILE 84 -8.188 19.955 6.191 650 H VAL 85 H VAL 85 -5.497 22.044 1.729 651 HA VAL 85 HA VAL 85 -7.467 21.309 -0.131 652 HB VAL 85 HB VAL 85 -4.949 22.919 -0.578 653 HG11 VAL 85 1HG1 VAL 85 -6.991 23.735 -2.324 654 HG12 VAL 85 2HG1 VAL 85 -5.481 22.921 -2.735 655 HG13 VAL 85 3HG1 VAL 85 -6.936 21.976 -2.420 656 HG21 VAL 85 1HG2 VAL 85 -6.997 23.536 1.081 657 HG22 VAL 85 2HG2 VAL 85 -6.012 24.731 0.235 658 HG23 VAL 85 3HG2 VAL 85 -7.571 24.243 -0.430 659 H THR 86 H THR 86 -4.088 20.406 0.180 660 HA THR 86 HA THR 86 -3.770 19.208 -2.353 661 HB THR 86 HB THR 86 -2.344 18.712 0.261 662 HG1 THR 86 HG1 THR 86 -1.384 20.484 -0.368 663 HG21 THR 86 1HG2 THR 86 -2.159 17.312 -2.326 664 HG22 THR 86 2HG2 THR 86 -1.702 16.775 -0.711 665 HG23 THR 86 3HG2 THR 86 -0.623 17.825 -1.629 666 H LEU 87 H LEU 87 -4.559 17.790 0.817 667 HA LEU 87 HA LEU 87 -4.812 15.140 -0.066 668 HB2 LEU 87 2HB LEU 87 -6.337 16.405 2.200 669 HB3 LEU 87 3HB LEU 87 -5.925 14.702 2.006 670 HG LEU 87 HG LEU 87 -3.822 16.823 2.346 671 HD11 LEU 87 1HD1 LEU 87 -5.363 15.334 4.454 672 HD12 LEU 87 2HD1 LEU 87 -5.148 17.075 4.287 673 HD13 LEU 87 3HD1 LEU 87 -3.782 16.059 4.747 674 HD21 LEU 87 1HD2 LEU 87 -3.010 14.733 1.489 675 HD22 LEU 87 2HD2 LEU 87 -3.882 13.833 2.730 676 HD23 LEU 87 3HD2 LEU 87 -2.529 14.873 3.180 677 H LYS 88 H LYS 88 -7.014 17.842 -0.152 678 HA LYS 88 HA LYS 88 -9.333 16.255 -0.771 679 HB2 LYS 88 2HB LYS 88 -8.904 19.232 -1.084 680 HB3 LYS 88 3HB LYS 88 -10.451 18.397 -1.127 681 HG2 LYS 88 2HG LYS 88 -8.835 17.964 1.295 682 HG3 LYS 88 3HG LYS 88 -9.451 19.601 1.058 683 HD2 LYS 88 2HD LYS 88 -11.684 18.274 0.515 684 HD3 LYS 88 3HD LYS 88 -10.920 17.063 1.546 685 HE2 LYS 88 2HE LYS 88 -11.142 18.322 3.411 686 HE3 LYS 88 3HE LYS 88 -10.854 19.834 2.552 687 HZ1 LYS 88 1HZ LYS 88 -13.367 18.377 2.954 688 HZ2 LYS 88 2HZ LYS 88 -13.190 19.310 1.555 689 HZ3 LYS 88 3HZ LYS 88 -13.054 20.034 3.079 690 H VAL 89 H VAL 89 -7.622 18.763 -2.651 691 HA VAL 89 HA VAL 89 -8.761 18.267 -5.108 692 HB VAL 89 HB VAL 89 -6.807 19.292 -6.131 693 HG11 VAL 89 1HG1 VAL 89 -7.781 20.475 -3.553 694 HG12 VAL 89 2HG1 VAL 89 -6.648 21.337 -4.594 695 HG13 VAL 89 3HG1 VAL 89 -8.241 20.888 -5.204 696 HG21 VAL 89 1HG2 VAL 89 -4.975 19.979 -4.358 697 HG22 VAL 89 2HG2 VAL 89 -5.525 18.502 -3.565 698 HG23 VAL 89 3HG2 VAL 89 -4.895 18.438 -5.211 699 H PHE 90 H PHE 90 -6.177 16.532 -3.498 700 HA PHE 90 HA PHE 90 -5.398 14.997 -5.776 701 HB2 PHE 90 2HB PHE 90 -3.840 15.344 -3.940 702 HB3 PHE 90 3HB PHE 90 -4.935 14.537 -2.822 703 HD1 PHE 90 HD1 PHE 90 -3.162 13.887 -6.039 704 HD2 PHE 90 HD2 PHE 90 -4.539 12.333 -2.324 705 HE1 PHE 90 HE1 PHE 90 -2.079 11.735 -6.542 706 HE2 PHE 90 HE2 PHE 90 -3.457 10.179 -2.819 707 HZ PHE 90 HZ PHE 90 -2.224 9.878 -4.930 708 H ALA 91 H ALA 91 -7.288 14.228 -2.856 709 HA ALA 91 HA ALA 91 -7.944 11.612 -3.398 710 HB1 ALA 91 1HB ALA 91 -8.490 12.933 -1.325 711 HB2 ALA 91 2HB ALA 91 -9.880 13.580 -2.197 712 HB3 ALA 91 3HB ALA 91 -9.761 11.847 -1.891 713 H VAL 92 H VAL 92 -9.399 14.546 -4.694 714 HA VAL 92 HA VAL 92 -11.456 13.086 -6.110 715 HB VAL 92 HB VAL 92 -11.938 15.328 -5.239 716 HG11 VAL 92 1HG1 VAL 92 -9.921 16.289 -7.266 717 HG12 VAL 92 2HG1 VAL 92 -10.943 17.307 -6.249 718 HG13 VAL 92 3HG1 VAL 92 -9.701 16.290 -5.516 719 HG21 VAL 92 1HG2 VAL 92 -11.974 15.436 -8.243 720 HG22 VAL 92 2HG2 VAL 92 -13.034 14.374 -7.319 721 HG23 VAL 92 3HG2 VAL 92 -13.139 16.122 -7.111 722 H ALA 93 H ALA 93 -8.358 14.581 -6.804 723 HA ALA 93 HA ALA 93 -8.597 14.293 -9.654 724 HB1 ALA 93 1HB ALA 93 -6.358 15.084 -7.820 725 HB2 ALA 93 2HB ALA 93 -6.097 14.835 -9.547 726 HB3 ALA 93 3HB ALA 93 -7.228 16.070 -8.996 727 H GLY 94 H GLY 94 -8.220 12.074 -7.266 728 HA2 GLY 94 2HA GLY 94 -6.651 10.290 -9.024 729 HA3 GLY 94 3HA GLY 94 -6.514 10.252 -7.272 730 H LEU 95 H LEU 95 -8.738 9.943 -6.153 731 HA LEU 95 HA LEU 95 -9.730 7.420 -6.971 732 HB2 LEU 95 2HB LEU 95 -10.754 9.400 -4.945 733 HB3 LEU 95 3HB LEU 95 -11.409 7.778 -5.158 734 HG LEU 95 HG LEU 95 -9.999 7.599 -3.308 735 HD11 LEU 95 1HD1 LEU 95 -9.617 5.841 -4.972 736 HD12 LEU 95 2HD1 LEU 95 -8.165 6.180 -4.030 737 HD13 LEU 95 3HD1 LEU 95 -8.312 6.798 -5.676 738 HD21 LEU 95 1HD2 LEU 95 -8.915 9.847 -3.757 739 HD22 LEU 95 2HD2 LEU 95 -7.762 8.978 -4.770 740 HD23 LEU 95 3HD2 LEU 95 -7.883 8.603 -3.050 741 H LEU 96 H LEU 96 -10.664 10.668 -7.673 742 HA LEU 96 HA LEU 96 -13.186 9.735 -8.864 743 HB2 LEU 96 2HB LEU 96 -12.593 11.956 -7.277 744 HB3 LEU 96 3HB LEU 96 -12.817 12.596 -8.903 745 HG LEU 96 HG LEU 96 -14.906 12.751 -7.788 746 HD11 LEU 96 1HD1 LEU 96 -16.276 11.715 -9.323 747 HD12 LEU 96 2HD1 LEU 96 -15.298 10.248 -9.368 748 HD13 LEU 96 3HD1 LEU 96 -14.729 11.713 -10.169 749 HD21 LEU 96 1HD2 LEU 96 -14.361 11.091 -6.015 750 HD22 LEU 96 2HD2 LEU 96 -14.727 9.807 -7.166 751 HD23 LEU 96 3HD2 LEU 96 -15.991 10.932 -6.669 752 H ASN 97 H ASN 97 -10.088 10.191 -9.732 753 HA ASN 97 HA ASN 97 -8.979 10.592 -11.679 754 HB2 ASN 97 2HB ASN 97 -11.668 9.872 -12.866 755 HB3 ASN 97 3HB ASN 97 -10.145 9.919 -13.750 756 HD21 ASN 97 1HD2 ASN 97 -9.132 8.067 -13.959 757 HD22 ASN 97 2HD2 ASN 97 -9.312 6.684 -12.939 758 H MET 98 H MET 98 -9.674 12.910 -10.513 759 HA MET 98 HA MET 98 -9.830 15.141 -10.932 760 HB2 MET 98 2HB MET 98 -8.861 14.035 -13.318 761 HB3 MET 98 3HB MET 98 -10.162 15.113 -13.805 762 HG2 MET 98 2HG MET 98 -7.842 15.891 -12.055 763 HG3 MET 98 3HG MET 98 -7.958 16.200 -13.786 764 HE1 MET 98 1HE MET 98 -9.790 17.589 -14.885 765 HE2 MET 98 2HE MET 98 -11.200 17.026 -13.987 766 HE3 MET 98 3HE MET 98 -10.836 18.750 -14.066 767 H THR 99 H THR 99 -11.621 16.209 -10.453 768 HA THR 99 HA THR 99 -13.881 16.253 -12.223 769 HB THR 99 HB THR 99 -14.467 15.235 -9.453 770 HG1 THR 99 HG1 THR 99 -14.124 13.681 -11.821 771 HG21 THR 99 1HG2 THR 99 -16.621 14.889 -10.214 772 HG22 THR 99 2HG2 THR 99 -16.120 14.776 -11.901 773 HG23 THR 99 3HG2 THR 99 -16.169 16.346 -11.099 774 H VAL 100 H VAL 100 -12.211 18.274 -11.381 775 HA VAL 100 HA VAL 100 -14.110 20.010 -10.025 776 HB VAL 100 HB VAL 100 -12.526 20.853 -8.403 777 HG11 VAL 100 1HG1 VAL 100 -13.931 18.959 -7.749 778 HG12 VAL 100 2HG1 VAL 100 -12.675 17.842 -8.285 779 HG13 VAL 100 3HG1 VAL 100 -12.374 18.922 -6.923 780 HG21 VAL 100 1HG2 VAL 100 -10.624 19.523 -10.065 781 HG22 VAL 100 2HG2 VAL 100 -10.339 20.646 -8.736 782 HG23 VAL 100 3HG2 VAL 100 -10.472 18.917 -8.417 783 H SER 101 H SER 101 -12.714 22.264 -9.719 784 HA SER 101 HA SER 101 -11.487 22.788 -12.345 785 HB2 SER 101 2HB SER 101 -13.893 23.919 -11.223 786 HB3 SER 101 3HB SER 101 -12.691 25.184 -11.482 787 HG SER 101 HG SER 101 -13.878 23.446 -13.352 788 H THR 102 H THR 102 -11.914 24.097 -9.063 789 HA THR 102 HA THR 102 -9.117 25.020 -9.171 790 HB THR 102 HB THR 102 -9.635 26.972 -7.924 791 HG1 THR 102 HG1 THR 102 -12.373 26.278 -7.778 792 HG21 THR 102 1HG2 THR 102 -10.274 26.915 -10.391 793 HG22 THR 102 2HG2 THR 102 -10.999 28.193 -9.415 794 HG23 THR 102 3HG2 THR 102 -11.943 26.766 -9.844 795 H ALA 103 H ALA 103 -8.053 25.176 -7.067 796 HA ALA 103 HA ALA 103 -8.185 22.844 -5.584 797 HB1 ALA 103 1HB ALA 103 -6.308 23.675 -4.747 798 HB2 ALA 103 2HB ALA 103 -6.645 25.206 -5.556 799 HB3 ALA 103 3HB ALA 103 -7.209 24.937 -3.907 800 H ALA 104 H ALA 104 -9.726 25.967 -4.964 801 HA ALA 104 HA ALA 104 -10.771 25.337 -2.421 802 HB1 ALA 104 1HB ALA 104 -10.649 27.592 -3.919 803 HB2 ALA 104 2HB ALA 104 -12.358 27.183 -4.064 804 HB3 ALA 104 3HB ALA 104 -11.638 27.410 -2.470 805 H ALA 105 H ALA 105 -12.112 25.024 -5.684 806 HA ALA 105 HA ALA 105 -14.696 24.209 -4.950 807 HB1 ALA 105 1HB ALA 105 -14.975 23.508 -7.204 808 HB2 ALA 105 2HB ALA 105 -13.949 24.944 -7.230 809 HB3 ALA 105 3HB ALA 105 -13.234 23.345 -7.435 810 H ALA 106 H ALA 106 -11.681 22.460 -5.195 811 HA ALA 106 HA ALA 106 -12.796 19.844 -5.164 812 HB1 ALA 106 1HB ALA 106 -10.649 19.080 -5.179 813 HB2 ALA 106 2HB ALA 106 -10.374 20.723 -5.762 814 HB3 ALA 106 3HB ALA 106 -10.079 20.326 -4.069 815 H GLU 107 H GLU 107 -11.249 21.812 -2.623 816 HA GLU 107 HA GLU 107 -11.785 19.972 -0.537 817 HB2 GLU 107 2HB GLU 107 -11.184 21.825 0.971 818 HB3 GLU 107 3HB GLU 107 -10.019 21.631 -0.331 819 HG2 GLU 107 2HG GLU 107 -11.097 23.489 -1.536 820 HG3 GLU 107 3HG GLU 107 -12.186 23.711 -0.168 821 H ASN 108 H ASN 108 -13.493 22.815 -1.749 822 HA ASN 108 HA ASN 108 -15.446 22.935 0.283 823 HB2 ASN 108 2HB ASN 108 -15.451 23.918 -2.574 824 HB3 ASN 108 3HB ASN 108 -16.761 24.243 -1.442 825 HD21 ASN 108 1HD2 ASN 108 -15.177 26.196 -2.719 826 HD22 ASN 108 2HD2 ASN 108 -14.302 27.050 -1.499 827 H MET 109 H MET 109 -15.472 21.423 -2.933 828 HA MET 109 HA MET 109 -18.102 20.376 -2.691 829 HB2 MET 109 2HB MET 109 -16.875 20.765 -4.848 830 HB3 MET 109 3HB MET 109 -15.886 19.360 -4.474 831 HG2 MET 109 2HG MET 109 -17.975 18.004 -4.391 832 HG3 MET 109 3HG MET 109 -18.851 19.420 -4.965 833 HE1 MET 109 1HE MET 109 -17.634 16.094 -6.679 834 HE2 MET 109 2HE MET 109 -16.019 16.653 -7.113 835 HE3 MET 109 3HE MET 109 -16.539 16.681 -5.427 836 H TYR 110 H TYR 110 -14.877 18.942 -2.283 837 HA TYR 110 HA TYR 110 -15.590 16.326 -1.771 838 HB2 TYR 110 2HB TYR 110 -13.268 17.004 -2.009 839 HB3 TYR 110 3HB TYR 110 -13.359 17.944 -0.523 840 HD1 TYR 110 HD1 TYR 110 -12.912 14.644 -1.963 841 HD2 TYR 110 HD2 TYR 110 -13.541 16.782 1.662 842 HE1 TYR 110 HE1 TYR 110 -12.187 12.674 -0.682 843 HE2 TYR 110 HE2 TYR 110 -12.818 14.817 2.953 844 HH TYR 110 HH TYR 110 -12.682 12.357 2.639 845 H SER 111 H SER 111 -15.542 19.078 0.442 846 HA SER 111 HA SER 111 -16.367 17.451 2.690 847 HB2 SER 111 2HB SER 111 -15.153 19.126 3.620 848 HB3 SER 111 3HB SER 111 -15.457 20.225 2.275 849 HG SER 111 HG SER 111 -16.924 19.812 4.612 850 H GLN 112 H GLN 112 -17.813 19.598 0.346 851 HA GLN 112 HA GLN 112 -20.284 19.984 1.680 852 HB2 GLN 112 2HB GLN 112 -19.627 21.503 -0.069 853 HB3 GLN 112 3HB GLN 112 -19.528 20.191 -1.236 854 HG2 GLN 112 2HG GLN 112 -21.721 20.230 -1.654 855 HG3 GLN 112 3HG GLN 112 -22.142 20.450 0.045 856 HE21 GLN 112 1HE2 GLN 112 -22.266 22.534 0.892 857 HE22 GLN 112 2HE2 GLN 112 -22.399 23.927 -0.123 858 H MET 113 H MET 113 -18.998 17.439 -0.301 859 HA MET 113 HA MET 113 -21.576 16.217 -0.774 860 HB2 MET 113 2HB MET 113 -18.806 15.781 -1.658 861 HB3 MET 113 3HB MET 113 -19.735 14.305 -1.433 862 HG2 MET 113 2HG MET 113 -21.418 16.051 -2.823 863 HG3 MET 113 3HG MET 113 -19.830 16.219 -3.567 864 HE1 MET 113 1HE MET 113 -18.680 13.694 -5.048 865 HE2 MET 113 2HE MET 113 -20.050 13.871 -6.143 866 HE3 MET 113 3HE MET 113 -19.359 15.292 -5.357 867 H GLY 114 H GLY 114 -19.524 16.387 1.826 868 HA2 GLY 114 2HA GLY 114 -19.827 15.344 3.893 869 HA3 GLY 114 3HA GLY 114 -20.858 14.153 3.115 870 H LEU 115 H LEU 115 -17.835 14.754 1.614 871 HA LEU 115 HA LEU 115 -16.968 12.064 2.212 872 HB2 LEU 115 2HB LEU 115 -15.307 14.060 0.737 873 HB3 LEU 115 3HB LEU 115 -15.412 12.316 0.515 874 HG LEU 115 HG LEU 115 -17.528 14.312 -0.291 875 HD11 LEU 115 1HD1 LEU 115 -15.734 12.697 -2.083 876 HD12 LEU 115 2HD1 LEU 115 -15.365 14.349 -1.592 877 HD13 LEU 115 3HD1 LEU 115 -16.823 14.012 -2.525 878 HD21 LEU 115 1HD2 LEU 115 -18.719 12.521 -1.228 879 HD22 LEU 115 2HD2 LEU 115 -18.244 11.960 0.375 880 HD23 LEU 115 3HD2 LEU 115 -17.360 11.411 -1.050 881 H ASP 116 H ASP 116 -16.294 15.270 3.310 882 HA ASP 116 HA ASP 116 -13.837 14.440 4.652 883 HB2 ASP 116 2HB ASP 116 -13.626 16.575 3.653 884 HB3 ASP 116 3HB ASP 116 -15.189 17.106 4.268 885 H THR 117 H THR 117 -16.519 16.489 5.771 886 HA THR 117 HA THR 117 -16.264 15.365 8.434 887 HB THR 117 HB THR 117 -17.971 17.056 9.067 888 HG1 THR 117 HG1 THR 117 -18.731 18.477 7.523 889 HG21 THR 117 1HG2 THR 117 -16.375 19.004 7.915 890 HG22 THR 117 2HG2 THR 117 -15.326 17.588 7.987 891 HG23 THR 117 3HG2 THR 117 -16.088 18.198 9.456 892 H ARG 118 H ARG 118 -18.571 15.192 9.578 893 HA ARG 118 HA ARG 118 -20.419 13.699 7.866 894 HB2 ARG 118 2HB ARG 118 -18.728 12.178 9.075 895 HB3 ARG 118 3HB ARG 118 -19.596 12.602 10.544 896 HG2 ARG 118 2HG ARG 118 -21.240 11.178 10.094 897 HG3 ARG 118 3HG ARG 118 -21.390 11.759 8.434 898 HD2 ARG 118 2HD ARG 118 -19.190 10.407 8.066 899 HD3 ARG 118 3HD ARG 118 -19.687 9.565 9.534 900 HE ARG 118 HE ARG 118 -21.895 9.551 7.905 901 HH11 ARG 118 1HH1 ARG 118 -18.607 8.430 7.679 902 HH12 ARG 118 2HH1 ARG 118 -18.992 7.109 6.626 903 HH21 ARG 118 1HH2 ARG 118 -22.414 7.816 6.518 904 HH22 ARG 118 2HH2 ARG 118 -21.157 6.761 5.965 905 HA PRO 119 HA PRO 119 -22.525 16.646 10.778 906 HB2 PRO 119 2HB PRO 119 -24.131 17.741 8.883 907 HB3 PRO 119 3HB PRO 119 -22.499 18.332 9.217 908 HG2 PRO 119 2HG PRO 119 -23.444 16.508 7.040 909 HG3 PRO 119 3HG PRO 119 -22.304 17.863 6.948 910 HD2 PRO 119 2HD PRO 119 -21.494 15.281 7.054 911 HD3 PRO 119 3HD PRO 119 -20.552 16.607 7.766 Start of MODEL 11 1 H1 GLY 2 H GLY 2 7.443 -0.646 3.070 2 HA2 GLY 2 2HA GLY 2 8.185 -1.373 0.530 3 HA3 GLY 2 3HA GLY 2 6.550 -1.546 1.150 4 H ASN 3 H ASN 3 8.746 0.728 -0.445 5 HA ASN 3 HA ASN 3 6.593 2.466 -1.245 6 HB2 ASN 3 2HB ASN 3 8.249 3.846 -2.204 7 HB3 ASN 3 3HB ASN 3 9.017 3.159 -0.774 8 HD21 ASN 3 1HD2 ASN 3 10.242 4.242 -3.163 9 HD22 ASN 3 2HD2 ASN 3 11.201 2.973 -3.838 10 H GLY 4 H GLY 4 6.880 3.150 -3.764 11 HA2 GLY 4 2HA GLY 4 7.395 1.848 -5.919 12 HA3 GLY 4 3HA GLY 4 6.300 0.661 -5.228 13 H GLN 5 H GLN 5 6.485 3.094 -7.401 14 HA GLN 5 HA GLN 5 3.831 4.193 -6.942 15 HB2 GLN 5 2HB GLN 5 4.324 5.589 -8.925 16 HB3 GLN 5 3HB GLN 5 5.551 5.734 -7.672 17 HG2 GLN 5 2HG GLN 5 6.306 3.645 -9.451 18 HG3 GLN 5 3HG GLN 5 5.889 5.077 -10.392 19 HE21 GLN 5 1HE2 GLN 5 8.477 3.705 -9.733 20 HE22 GLN 5 2HE2 GLN 5 9.493 4.966 -9.131 21 H GLY 6 H GLY 6 2.682 4.522 -9.294 22 HA2 GLY 6 2HA GLY 6 2.765 2.185 -10.961 23 HA3 GLY 6 3HA GLY 6 1.377 2.193 -9.883 24 H ARG 7 H ARG 7 0.342 2.152 -12.106 25 HA ARG 7 HA ARG 7 0.382 4.384 -13.800 26 HB2 ARG 7 2HB ARG 7 -1.413 2.062 -13.380 27 HB3 ARG 7 3HB ARG 7 -2.101 3.443 -14.224 28 HG2 ARG 7 2HG ARG 7 -1.294 2.235 -15.983 29 HG3 ARG 7 3HG ARG 7 0.095 3.271 -15.646 30 HD2 ARG 7 2HD ARG 7 1.186 1.286 -15.704 31 HD3 ARG 7 3HD ARG 7 0.680 1.239 -14.016 32 HE ARG 7 HE ARG 7 -1.357 0.078 -15.484 33 HH11 ARG 7 1HH1 ARG 7 2.013 -0.519 -14.849 34 HH12 ARG 7 2HH1 ARG 7 1.876 -2.237 -15.024 35 HH21 ARG 7 1HH2 ARG 7 -1.551 -2.183 -15.717 36 HH22 ARG 7 2HH2 ARG 7 -0.152 -3.183 -15.518 37 H ASP 8 H ASP 8 -1.904 3.532 -11.206 38 HA ASP 8 HA ASP 8 -3.577 5.733 -11.385 39 HB2 ASP 8 2HB ASP 8 -2.874 3.784 -9.272 40 HB3 ASP 8 3HB ASP 8 -3.601 5.288 -8.715 41 H TRP 9 H TRP 9 -0.482 5.398 -9.728 42 HA TRP 9 HA TRP 9 -0.529 7.854 -8.355 43 HB2 TRP 9 2HB TRP 9 1.073 5.869 -8.048 44 HB3 TRP 9 3HB TRP 9 1.983 6.552 -9.391 45 HD1 TRP 9 HD1 TRP 9 3.971 7.899 -8.540 46 HE1 TRP 9 HE1 TRP 9 4.450 9.430 -6.526 47 HE3 TRP 9 HE3 TRP 9 -0.559 7.592 -6.190 48 HZ2 TRP 9 HZ2 TRP 9 3.088 10.381 -4.244 49 HZ3 TRP 9 HZ3 TRP 9 -0.889 8.842 -4.097 50 HH2 TRP 9 HH2 TRP 9 0.898 10.207 -3.145 51 H LYS 10 H LYS 10 1.071 6.987 -11.423 52 HA LYS 10 HA LYS 10 1.965 9.571 -12.047 53 HB2 LYS 10 2HB LYS 10 1.612 7.024 -13.509 54 HB3 LYS 10 3HB LYS 10 1.670 8.475 -14.500 55 HG2 LYS 10 2HG LYS 10 3.759 8.084 -12.420 56 HG3 LYS 10 3HG LYS 10 3.849 7.143 -13.911 57 HD2 LYS 10 2HD LYS 10 3.813 9.193 -15.225 58 HD3 LYS 10 3HD LYS 10 3.662 10.152 -13.750 59 HE2 LYS 10 2HE LYS 10 5.857 8.842 -13.093 60 HE3 LYS 10 3HE LYS 10 6.014 8.688 -14.843 61 HZ1 LYS 10 1HZ LYS 10 6.430 10.873 -15.088 62 HZ2 LYS 10 2HZ LYS 10 6.936 10.763 -13.478 63 HZ3 LYS 10 3HZ LYS 10 5.389 11.344 -13.839 64 H MET 11 H MET 11 -1.105 7.973 -12.583 65 HA MET 11 HA MET 11 -2.155 9.865 -14.421 66 HB2 MET 11 2HB MET 11 -2.992 7.494 -13.960 67 HB3 MET 11 3HB MET 11 -3.790 8.165 -12.545 68 HG2 MET 11 2HG MET 11 -4.426 9.783 -14.796 69 HG3 MET 11 3HG MET 11 -4.701 8.093 -15.215 70 HE1 MET 11 1HE MET 11 -8.117 10.010 -14.133 71 HE2 MET 11 2HE MET 11 -6.692 11.051 -14.122 72 HE3 MET 11 3HE MET 11 -6.943 9.912 -15.446 73 H ALA 12 H ALA 12 -2.520 9.452 -10.910 74 HA ALA 12 HA ALA 12 -4.266 11.589 -10.461 75 HB1 ALA 12 1HB ALA 12 -3.857 11.296 -8.198 76 HB2 ALA 12 2HB ALA 12 -3.485 9.708 -8.870 77 HB3 ALA 12 3HB ALA 12 -2.179 10.820 -8.460 78 H ILE 13 H ILE 13 -0.725 11.479 -10.511 79 HA ILE 13 HA ILE 13 -0.307 14.154 -9.711 80 HB ILE 13 HB ILE 13 1.459 12.337 -11.355 81 HG12 ILE 13 2HG1 ILE 13 0.912 11.537 -9.067 82 HG13 ILE 13 3HG1 ILE 13 2.620 11.908 -9.268 83 HG21 ILE 13 1HG2 ILE 13 1.739 15.131 -10.565 84 HG22 ILE 13 2HG2 ILE 13 3.101 14.121 -10.082 85 HG23 ILE 13 3HG2 ILE 13 2.620 14.200 -11.777 86 HD11 ILE 13 1HD1 ILE 13 1.211 14.220 -8.326 87 HD12 ILE 13 2HD1 ILE 13 0.896 12.833 -7.281 88 HD13 ILE 13 3HD1 ILE 13 2.555 13.345 -7.592 89 H LYS 14 H LYS 14 -0.088 12.691 -12.959 90 HA LYS 14 HA LYS 14 0.245 15.066 -14.381 91 HB2 LYS 14 2HB LYS 14 0.585 12.773 -15.294 92 HB3 LYS 14 3HB LYS 14 -1.161 12.568 -15.341 93 HG2 LYS 14 2HG LYS 14 -1.425 14.051 -17.086 94 HG3 LYS 14 3HG LYS 14 0.100 14.875 -16.752 95 HD2 LYS 14 2HD LYS 14 1.366 13.076 -17.648 96 HD3 LYS 14 3HD LYS 14 -0.049 12.024 -17.710 97 HE2 LYS 14 2HE LYS 14 -1.012 13.284 -19.478 98 HE3 LYS 14 3HE LYS 14 0.166 14.581 -19.283 99 HZ1 LYS 14 1HZ LYS 14 1.371 12.028 -19.801 100 HZ2 LYS 14 2HZ LYS 14 1.636 13.520 -20.554 101 HZ3 LYS 14 3HZ LYS 14 0.353 12.536 -21.052 102 H ARG 15 H ARG 15 -2.566 13.717 -12.914 103 HA ARG 15 HA ARG 15 -4.433 15.281 -14.476 104 HB2 ARG 15 2HB ARG 15 -5.016 13.035 -13.578 105 HB3 ARG 15 3HB ARG 15 -4.909 13.690 -11.950 106 HG2 ARG 15 2HG ARG 15 -7.211 13.582 -12.612 107 HG3 ARG 15 3HG ARG 15 -6.720 15.274 -12.507 108 HD2 ARG 15 2HD ARG 15 -7.488 15.545 -14.576 109 HD3 ARG 15 3HD ARG 15 -6.171 14.515 -15.135 110 HE ARG 15 HE ARG 15 -8.417 13.001 -14.234 111 HH11 ARG 15 1HH1 ARG 15 -7.151 14.824 -16.915 112 HH12 ARG 15 2HH1 ARG 15 -8.087 13.977 -18.102 113 HH21 ARG 15 1HH2 ARG 15 -9.655 11.879 -15.787 114 HH22 ARG 15 2HH2 ARG 15 -9.511 12.302 -17.458 115 H CYS 16 H CYS 16 -3.765 15.116 -10.972 116 HA CYS 16 HA CYS 16 -5.027 17.508 -10.305 117 HB2 CYS 16 2HB CYS 16 -3.936 17.350 -8.189 118 HB3 CYS 16 3HB CYS 16 -4.256 15.703 -8.719 119 HG CYS 16 HG CYS 16 -1.381 16.074 -9.889 120 H SER 17 H SER 17 -1.956 16.933 -11.766 121 HA SER 17 HA SER 17 -0.561 19.241 -11.056 122 HB2 SER 17 2HB SER 17 0.595 17.480 -12.203 123 HB3 SER 17 3HB SER 17 -0.489 17.593 -13.589 124 HG SER 17 HG SER 17 1.662 19.198 -12.870 125 H ASN 18 H ASN 18 -3.273 18.818 -13.135 126 HA ASN 18 HA ASN 18 -2.926 21.501 -14.273 127 HB2 ASN 18 2HB ASN 18 -4.864 19.303 -15.033 128 HB3 ASN 18 3HB ASN 18 -4.712 20.857 -15.847 129 HD21 ASN 18 1HD2 ASN 18 -2.971 21.240 -17.179 130 HD22 ASN 18 2HD2 ASN 18 -1.907 19.985 -17.708 131 H VAL 19 H VAL 19 -3.684 21.071 -11.504 132 HA VAL 19 HA VAL 19 -6.403 22.213 -11.549 133 HB VAL 19 HB VAL 19 -5.111 20.648 -9.311 134 HG11 VAL 19 1HG1 VAL 19 -6.703 21.416 -7.967 135 HG12 VAL 19 2HG1 VAL 19 -7.197 22.527 -9.245 136 HG13 VAL 19 3HG1 VAL 19 -7.955 20.940 -9.113 137 HG21 VAL 19 1HG2 VAL 19 -6.783 18.928 -9.833 138 HG22 VAL 19 2HG2 VAL 19 -7.320 19.879 -11.217 139 HG23 VAL 19 3HG2 VAL 19 -5.689 19.211 -11.188 140 H ALA 20 H ALA 20 -6.548 24.261 -10.932 141 HA ALA 20 HA ALA 20 -4.359 25.811 -10.134 142 HB1 ALA 20 1HB ALA 20 -7.132 26.232 -10.700 143 HB2 ALA 20 2HB ALA 20 -6.685 27.120 -9.243 144 HB3 ALA 20 3HB ALA 20 -5.798 27.386 -10.744 145 H VAL 21 H VAL 21 -4.884 27.346 -8.042 146 HA VAL 21 HA VAL 21 -5.113 25.492 -5.760 147 HB VAL 21 HB VAL 21 -3.552 27.117 -4.574 148 HG11 VAL 21 1HG1 VAL 21 -2.662 25.346 -6.831 149 HG12 VAL 21 2HG1 VAL 21 -1.514 26.132 -5.746 150 HG13 VAL 21 3HG1 VAL 21 -2.699 24.992 -5.104 151 HG21 VAL 21 1HG2 VAL 21 -3.866 28.571 -6.917 152 HG22 VAL 21 2HG2 VAL 21 -2.699 28.883 -5.632 153 HG23 VAL 21 3HG2 VAL 21 -2.235 27.908 -7.026 154 H GLY 22 H GLY 22 -5.807 28.673 -7.055 155 HA2 GLY 22 2HA GLY 22 -7.686 29.083 -4.815 156 HA3 GLY 22 3HA GLY 22 -6.679 30.394 -5.412 157 H VAL 23 H VAL 23 -9.352 30.780 -5.332 158 HA VAL 23 HA VAL 23 -10.202 30.492 -8.140 159 HB VAL 23 HB VAL 23 -11.676 29.326 -6.541 160 HG11 VAL 23 1HG1 VAL 23 -12.698 31.894 -5.467 161 HG12 VAL 23 2HG1 VAL 23 -12.648 30.293 -4.726 162 HG13 VAL 23 3HG1 VAL 23 -11.186 31.277 -4.801 163 HG21 VAL 23 1HG2 VAL 23 -12.564 30.262 -8.639 164 HG22 VAL 23 2HG2 VAL 23 -13.771 30.238 -7.355 165 HG23 VAL 23 3HG2 VAL 23 -12.973 31.749 -7.785 166 H GLY 24 H GLY 24 -9.732 32.675 -5.459 167 HA2 GLY 24 2HA GLY 24 -11.048 34.920 -6.644 168 HA3 GLY 24 3HA GLY 24 -9.950 34.963 -5.272 169 H GLY 25 H GLY 25 -8.444 36.441 -5.710 170 HA2 GLY 25 2HA GLY 25 -7.473 36.773 -8.438 171 HA3 GLY 25 3HA GLY 25 -7.100 37.805 -7.065 172 H LYS 26 H LYS 26 -6.524 34.511 -8.280 173 HA LYS 26 HA LYS 26 -3.701 34.771 -7.865 174 HB2 LYS 26 2HB LYS 26 -5.295 33.694 -5.740 175 HB3 LYS 26 3HB LYS 26 -4.288 32.413 -6.405 176 HG2 LYS 26 2HG LYS 26 -2.392 33.308 -5.602 177 HG3 LYS 26 3HG LYS 26 -2.911 34.964 -5.926 178 HD2 LYS 26 2HD LYS 26 -4.603 34.401 -3.952 179 HD3 LYS 26 3HD LYS 26 -3.314 33.276 -3.517 180 HE2 LYS 26 2HE LYS 26 -1.707 35.129 -3.536 181 HE3 LYS 26 3HE LYS 26 -3.007 36.247 -3.950 182 HZ1 LYS 26 1HZ LYS 26 -4.073 35.279 -1.803 183 HZ2 LYS 26 2HZ LYS 26 -2.896 36.488 -1.690 184 HZ3 LYS 26 3HZ LYS 26 -2.479 34.873 -1.409 185 H SER 27 H SER 27 -3.405 34.158 -9.964 186 HA SER 27 HA SER 27 -4.619 31.700 -10.939 187 HB2 SER 27 2HB SER 27 -2.920 33.823 -12.257 188 HB3 SER 27 3HB SER 27 -3.402 32.340 -13.080 189 HG SER 27 HG SER 27 -5.232 34.148 -11.886 190 H LYS 28 H LYS 28 -3.652 29.933 -10.122 191 HA LYS 28 HA LYS 28 -1.069 29.204 -11.027 192 HB2 LYS 28 2HB LYS 28 -0.652 30.802 -9.027 193 HB3 LYS 28 3HB LYS 28 -1.194 29.455 -8.035 194 HG2 LYS 28 2HG LYS 28 0.668 28.221 -8.444 195 HG3 LYS 28 3HG LYS 28 0.909 28.909 -10.050 196 HD2 LYS 28 2HD LYS 28 2.673 29.775 -8.777 197 HD3 LYS 28 3HD LYS 28 1.489 31.083 -8.829 198 HE2 LYS 28 2HE LYS 28 1.811 31.126 -6.601 199 HE3 LYS 28 3HE LYS 28 0.685 29.770 -6.608 200 HZ1 LYS 28 1HZ LYS 28 2.452 28.989 -5.366 201 HZ2 LYS 28 2HZ LYS 28 3.619 29.732 -6.339 202 HZ3 LYS 28 3HZ LYS 28 2.797 28.364 -6.899 203 H LYS 29 H LYS 29 -0.471 27.026 -10.375 204 HA LYS 29 HA LYS 29 -2.660 25.491 -9.154 205 HB2 LYS 29 2HB LYS 29 -2.154 23.689 -10.885 206 HB3 LYS 29 3HB LYS 29 -3.033 25.103 -11.451 207 HG2 LYS 29 2HG LYS 29 -0.109 25.267 -11.691 208 HG3 LYS 29 3HG LYS 29 -0.887 24.043 -12.694 209 HD2 LYS 29 2HD LYS 29 -2.184 25.629 -13.825 210 HD3 LYS 29 3HD LYS 29 -1.914 26.862 -12.590 211 HE2 LYS 29 2HE LYS 29 0.618 26.441 -13.350 212 HE3 LYS 29 3HE LYS 29 -0.201 26.020 -14.853 213 HZ1 LYS 29 1HZ LYS 29 -0.756 28.140 -15.234 214 HZ2 LYS 29 2HZ LYS 29 0.478 28.514 -14.138 215 HZ3 LYS 29 3HZ LYS 29 -1.130 28.461 -13.615 216 H PHE 30 H PHE 30 -1.905 23.173 -8.702 217 HA PHE 30 HA PHE 30 0.841 23.293 -7.644 218 HB2 PHE 30 2HB PHE 30 0.067 21.634 -5.954 219 HB3 PHE 30 3HB PHE 30 -0.779 23.173 -5.854 220 HD1 PHE 30 HD1 PHE 30 -1.074 19.624 -6.501 221 HD2 PHE 30 HD2 PHE 30 -3.103 23.362 -6.648 222 HE1 PHE 30 HE1 PHE 30 -3.226 18.445 -6.678 223 HE2 PHE 30 HE2 PHE 30 -5.259 22.188 -6.823 224 HZ PHE 30 HZ PHE 30 -5.323 19.726 -6.837 225 H GLY 31 H GLY 31 2.280 21.922 -8.463 226 HA2 GLY 31 2HA GLY 31 1.297 19.730 -10.156 227 HA3 GLY 31 3HA GLY 31 2.902 20.441 -10.230 228 H GLU 32 H GLU 32 3.543 18.139 -10.218 229 HA GLU 32 HA GLU 32 3.124 16.352 -8.159 230 HB2 GLU 32 2HB GLU 32 5.268 15.324 -8.801 231 HB3 GLU 32 3HB GLU 32 4.285 15.728 -10.201 232 HG2 GLU 32 2HG GLU 32 5.696 17.940 -10.152 233 HG3 GLU 32 3HG GLU 32 6.836 16.931 -9.262 234 H GLY 33 H GLY 33 5.490 18.976 -8.355 235 HA2 GLY 33 2HA GLY 33 6.898 18.366 -5.990 236 HA3 GLY 33 3HA GLY 33 6.827 19.944 -6.760 237 H ASN 34 H ASN 34 4.315 20.767 -6.527 238 HA ASN 34 HA ASN 34 4.102 21.608 -3.873 239 HB2 ASN 34 2HB ASN 34 2.291 21.683 -6.250 240 HB3 ASN 34 3HB ASN 34 1.626 22.094 -4.671 241 HD21 ASN 34 1HD2 ASN 34 4.401 22.814 -6.752 242 HD22 ASN 34 2HD2 ASN 34 4.486 24.492 -6.350 243 H PHE 35 H PHE 35 2.418 19.016 -5.601 244 HA PHE 35 HA PHE 35 0.593 18.281 -3.645 245 HB2 PHE 35 2HB PHE 35 0.378 17.293 -5.792 246 HB3 PHE 35 3HB PHE 35 2.022 16.663 -5.750 247 HD1 PHE 35 HD1 PHE 35 2.229 14.409 -5.430 248 HD2 PHE 35 HD2 PHE 35 -1.089 16.433 -3.695 249 HE1 PHE 35 HE1 PHE 35 1.386 12.270 -4.553 250 HE2 PHE 35 HE2 PHE 35 -1.936 14.299 -2.814 251 HZ PHE 35 HZ PHE 35 -0.698 12.213 -3.243 252 H ARG 36 H ARG 36 3.930 17.164 -4.112 253 HA ARG 36 HA ARG 36 4.001 15.295 -2.034 254 HB2 ARG 36 2HB ARG 36 6.272 17.015 -3.053 255 HB3 ARG 36 3HB ARG 36 6.435 15.524 -2.135 256 HG2 ARG 36 2HG ARG 36 4.813 15.158 -4.505 257 HG3 ARG 36 3HG ARG 36 6.422 15.777 -4.884 258 HD2 ARG 36 2HD ARG 36 6.109 13.498 -2.977 259 HD3 ARG 36 3HD ARG 36 6.019 13.208 -4.714 260 HE ARG 36 HE ARG 36 8.303 14.648 -4.412 261 HH11 ARG 36 1HH1 ARG 36 7.070 11.721 -2.987 262 HH12 ARG 36 2HH1 ARG 36 8.638 11.023 -2.744 263 HH21 ARG 36 1HH2 ARG 36 10.373 13.742 -4.097 264 HH22 ARG 36 2HH2 ARG 36 10.515 12.175 -3.376 265 H TRP 37 H TRP 37 5.003 18.713 -2.022 266 HA TRP 37 HA TRP 37 5.805 18.898 0.624 267 HB2 TRP 37 2HB TRP 37 6.280 20.742 -0.772 268 HB3 TRP 37 3HB TRP 37 4.594 20.917 -1.254 269 HD1 TRP 37 HD1 TRP 37 7.068 22.001 1.383 270 HE1 TRP 37 HE1 TRP 37 5.935 23.673 2.980 271 HE3 TRP 37 HE3 TRP 37 2.230 21.469 -0.182 272 HZ2 TRP 37 HZ2 TRP 37 3.335 24.638 3.506 273 HZ3 TRP 37 HZ3 TRP 37 0.481 22.803 0.920 274 HH2 TRP 37 HH2 TRP 37 1.023 24.353 2.726 275 H ALA 38 H ALA 38 2.576 19.005 -0.753 276 HA ALA 38 HA ALA 38 1.294 19.794 1.689 277 HB1 ALA 38 1HB ALA 38 0.506 19.275 -1.054 278 HB2 ALA 38 2HB ALA 38 -0.653 18.629 0.109 279 HB3 ALA 38 3HB ALA 38 -0.222 20.338 0.151 280 H ILE 39 H ILE 39 1.045 16.775 -0.204 281 HA ILE 39 HA ILE 39 -0.229 15.228 1.684 282 HB ILE 39 HB ILE 39 0.196 14.521 -0.652 283 HG12 ILE 39 2HG1 ILE 39 1.320 12.416 1.177 284 HG13 ILE 39 3HG1 ILE 39 -0.348 12.953 1.342 285 HG21 ILE 39 1HG2 ILE 39 2.947 13.730 0.271 286 HG22 ILE 39 2HG2 ILE 39 2.287 13.668 -1.362 287 HG23 ILE 39 3HG2 ILE 39 2.618 15.225 -0.604 288 HD11 ILE 39 1HD1 ILE 39 0.674 12.058 -1.312 289 HD12 ILE 39 2HD1 ILE 39 0.194 10.876 -0.094 290 HD13 ILE 39 3HD1 ILE 39 -0.974 12.057 -0.684 291 H ARG 40 H ARG 40 3.193 15.989 1.415 292 HA ARG 40 HA ARG 40 4.112 14.122 3.335 293 HB2 ARG 40 2HB ARG 40 5.567 15.244 1.661 294 HB3 ARG 40 3HB ARG 40 5.362 16.756 2.536 295 HG2 ARG 40 2HG ARG 40 6.652 16.054 4.318 296 HG3 ARG 40 3HG ARG 40 6.418 14.345 3.944 297 HD2 ARG 40 2HD ARG 40 8.024 14.343 2.307 298 HD3 ARG 40 3HD ARG 40 7.821 16.060 1.958 299 HE ARG 40 HE ARG 40 9.664 14.904 3.781 300 HH11 ARG 40 1HH1 ARG 40 7.615 17.678 3.304 301 HH12 ARG 40 2HH1 ARG 40 8.592 18.730 4.275 302 HH21 ARG 40 1HH2 ARG 40 10.959 16.278 5.060 303 HH22 ARG 40 2HH2 ARG 40 10.494 17.933 5.272 304 H MET 41 H MET 41 3.569 17.641 3.586 305 HA MET 41 HA MET 41 4.098 17.954 6.276 306 HB2 MET 41 2HB MET 41 2.264 19.387 4.385 307 HB3 MET 41 3HB MET 41 2.297 19.832 6.085 308 HG2 MET 41 2HG MET 41 4.950 19.636 4.915 309 HG3 MET 41 3HG MET 41 3.927 20.824 4.113 310 HE1 MET 41 1HE MET 41 5.968 22.176 4.744 311 HE2 MET 41 2HE MET 41 5.982 23.197 6.182 312 HE3 MET 41 3HE MET 41 6.759 21.613 6.216 313 H ALA 42 H ALA 42 1.122 16.879 4.717 314 HA ALA 42 HA ALA 42 -0.493 16.874 7.039 315 HB1 ALA 42 1HB ALA 42 -1.369 16.821 4.723 316 HB2 ALA 42 2HB ALA 42 -0.805 15.155 4.581 317 HB3 ALA 42 3HB ALA 42 -2.055 15.566 5.756 318 H ASN 43 H ASN 43 1.550 14.416 5.527 319 HA ASN 43 HA ASN 43 0.788 12.241 7.123 320 HB2 ASN 43 2HB ASN 43 2.391 12.483 4.991 321 HB3 ASN 43 3HB ASN 43 3.625 12.429 6.247 322 HD21 ASN 43 1HD2 ASN 43 4.432 10.449 5.732 323 HD22 ASN 43 2HD2 ASN 43 3.543 8.979 5.918 324 H VAL 44 H VAL 44 3.581 14.430 7.472 325 HA VAL 44 HA VAL 44 4.499 13.369 9.907 326 HB VAL 44 HB VAL 44 4.827 16.208 8.927 327 HG11 VAL 44 1HG1 VAL 44 5.988 16.531 10.791 328 HG12 VAL 44 2HG1 VAL 44 5.697 14.863 11.290 329 HG13 VAL 44 3HG1 VAL 44 7.102 15.255 10.298 330 HG21 VAL 44 1HG2 VAL 44 5.604 14.858 7.169 331 HG22 VAL 44 2HG2 VAL 44 7.050 15.279 8.089 332 HG23 VAL 44 3HG2 VAL 44 6.320 13.684 8.273 333 H SER 45 H SER 45 2.282 16.038 9.201 334 HA SER 45 HA SER 45 1.959 16.984 11.814 335 HB2 SER 45 2HB SER 45 0.112 17.026 9.425 336 HB3 SER 45 3HB SER 45 -0.283 17.823 10.947 337 HG SER 45 HG SER 45 2.012 18.740 10.548 338 H THR 46 H THR 46 0.821 14.118 10.310 339 HA THR 46 HA THR 46 -1.127 13.653 12.460 340 HB THR 46 HB THR 46 -1.794 11.658 11.023 341 HG1 THR 46 HG1 THR 46 -0.276 13.082 9.072 342 HG21 THR 46 1HG2 THR 46 -3.422 12.927 10.113 343 HG22 THR 46 2HG2 THR 46 -2.276 14.011 9.324 344 HG23 THR 46 3HG2 THR 46 -2.667 14.230 11.030 345 H GLY 47 H GLY 47 1.995 12.785 11.395 346 HA2 GLY 47 2HA GLY 47 3.572 11.417 12.368 347 HA3 GLY 47 3HA GLY 47 2.422 11.102 13.659 348 H ARG 48 H ARG 48 2.242 10.457 10.166 349 HA ARG 48 HA ARG 48 1.496 7.699 10.783 350 HB2 ARG 48 2HB ARG 48 0.418 9.469 9.026 351 HB3 ARG 48 3HB ARG 48 1.521 8.594 7.972 352 HG2 ARG 48 2HG ARG 48 -0.253 7.236 7.722 353 HG3 ARG 48 3HG ARG 48 0.358 6.525 9.217 354 HD2 ARG 48 2HD ARG 48 -1.180 8.570 10.159 355 HD3 ARG 48 3HD ARG 48 -2.076 8.080 8.722 356 HE ARG 48 HE ARG 48 -1.463 5.759 10.090 357 HH11 ARG 48 1HH1 ARG 48 -3.268 8.677 10.678 358 HH12 ARG 48 2HH1 ARG 48 -4.397 7.918 11.750 359 HH21 ARG 48 1HH2 ARG 48 -2.944 4.748 11.500 360 HH22 ARG 48 2HH2 ARG 48 -4.211 5.683 12.218 361 H GLU 49 H GLU 49 4.173 8.292 11.239 362 HA GLU 49 HA GLU 49 6.255 7.463 10.843 363 HB2 GLU 49 2HB GLU 49 4.443 5.555 9.575 364 HB3 GLU 49 3HB GLU 49 6.034 5.584 8.826 365 HG2 GLU 49 2HG GLU 49 6.612 4.142 10.416 366 HG3 GLU 49 3HG GLU 49 6.659 5.546 11.481 367 HA PRO 50 HA PRO 50 7.907 9.679 7.434 368 HB2 PRO 50 2HB PRO 50 10.257 8.382 7.028 369 HB3 PRO 50 3HB PRO 50 9.968 9.434 8.419 370 HG2 PRO 50 2HG PRO 50 9.842 6.448 8.244 371 HG3 PRO 50 3HG PRO 50 10.549 7.466 9.513 372 HD2 PRO 50 2HD PRO 50 8.112 6.310 9.760 373 HD3 PRO 50 3HD PRO 50 8.505 7.878 10.495 374 H GLY 51 H GLY 51 8.385 6.160 7.022 375 HA2 GLY 51 2HA GLY 51 8.164 6.438 4.136 376 HA3 GLY 51 3HA GLY 51 8.522 4.961 5.019 377 H ASP 52 H ASP 52 5.859 7.280 4.554 378 HA ASP 52 HA ASP 52 4.056 5.064 4.016 379 HB2 ASP 52 2HB ASP 52 4.171 6.058 6.586 380 HB3 ASP 52 3HB ASP 52 2.837 6.965 5.878 381 H ILE 53 H ILE 53 3.727 5.807 1.957 382 HA ILE 53 HA ILE 53 2.500 8.476 1.710 383 HB ILE 53 HB ILE 53 4.600 8.393 0.503 384 HG12 ILE 53 2HG1 ILE 53 2.715 8.138 -1.767 385 HG13 ILE 53 3HG1 ILE 53 2.254 9.275 -0.505 386 HG21 ILE 53 1HG2 ILE 53 3.667 5.750 -0.207 387 HG22 ILE 53 2HG2 ILE 53 4.193 6.659 -1.624 388 HG23 ILE 53 3HG2 ILE 53 5.295 6.425 -0.268 389 HD11 ILE 53 1HD1 ILE 53 4.574 10.268 -0.773 390 HD12 ILE 53 2HD1 ILE 53 4.686 9.315 -2.253 391 HD13 ILE 53 3HD1 ILE 53 3.426 10.536 -2.085 392 HA PRO 54 HA PRO 54 -0.676 5.235 0.625 393 HB2 PRO 54 2HB PRO 54 -2.645 6.291 2.166 394 HB3 PRO 54 3HB PRO 54 -1.465 5.128 2.780 395 HG2 PRO 54 2HG PRO 54 -1.506 8.109 3.051 396 HG3 PRO 54 3HG PRO 54 -1.122 6.880 4.271 397 HD2 PRO 54 2HD PRO 54 0.791 8.272 2.953 398 HD3 PRO 54 3HD PRO 54 1.029 6.596 3.490 399 H GLU 55 H GLU 55 -3.026 5.751 -0.091 400 HA GLU 55 HA GLU 55 -3.741 8.333 -0.932 401 HB2 GLU 55 2HB GLU 55 -3.369 8.113 -3.365 402 HB3 GLU 55 3HB GLU 55 -1.864 8.171 -2.458 403 HG2 GLU 55 2HG GLU 55 -1.218 6.240 -3.313 404 HG3 GLU 55 3HG GLU 55 -2.693 5.451 -2.756 405 H THR 56 H THR 56 -5.288 6.645 0.295 406 HA THR 56 HA THR 56 -7.051 5.524 -1.786 407 HB THR 56 HB THR 56 -7.736 3.768 -0.310 408 HG1 THR 56 HG1 THR 56 -7.389 3.827 1.799 409 HG21 THR 56 1HG2 THR 56 -5.943 2.526 -0.789 410 HG22 THR 56 2HG2 THR 56 -4.945 3.411 0.366 411 HG23 THR 56 3HG2 THR 56 -5.133 4.013 -1.280 412 H LEU 57 H LEU 57 -9.318 5.631 -1.378 413 HA LEU 57 HA LEU 57 -10.274 8.060 -0.494 414 HB2 LEU 57 2HB LEU 57 -11.365 5.966 -1.763 415 HB3 LEU 57 3HB LEU 57 -12.078 5.740 -0.167 416 HG LEU 57 HG LEU 57 -13.614 6.956 -1.560 417 HD11 LEU 57 1HD1 LEU 57 -13.098 7.621 0.911 418 HD12 LEU 57 2HD1 LEU 57 -14.164 8.622 -0.075 419 HD13 LEU 57 3HD1 LEU 57 -12.485 9.104 0.176 420 HD21 LEU 57 1HD2 LEU 57 -12.734 9.387 -2.164 421 HD22 LEU 57 2HD2 LEU 57 -12.529 8.016 -3.254 422 HD23 LEU 57 3HD2 LEU 57 -11.192 8.534 -2.225 423 H ASP 58 H ASP 58 -9.942 5.038 1.301 424 HA ASP 58 HA ASP 58 -11.240 5.952 3.657 425 HB2 ASP 58 2HB ASP 58 -9.642 3.595 2.858 426 HB3 ASP 58 3HB ASP 58 -9.615 3.986 4.575 427 H GLN 59 H GLN 59 -7.861 5.845 2.618 428 HA GLN 59 HA GLN 59 -6.764 6.756 5.065 429 HB2 GLN 59 2HB GLN 59 -5.275 5.665 3.596 430 HB3 GLN 59 3HB GLN 59 -5.737 6.682 2.238 431 HG2 GLN 59 2HG GLN 59 -4.646 8.218 4.441 432 HG3 GLN 59 3HG GLN 59 -3.523 6.996 3.847 433 HE21 GLN 59 1HE2 GLN 59 -3.188 9.803 3.647 434 HE22 GLN 59 2HE2 GLN 59 -3.160 10.210 1.968 435 H LEU 60 H LEU 60 -7.146 8.491 1.969 436 HA LEU 60 HA LEU 60 -6.470 11.017 2.833 437 HB2 LEU 60 2HB LEU 60 -8.605 10.321 0.821 438 HB3 LEU 60 3HB LEU 60 -7.786 11.875 0.968 439 HG LEU 60 HG LEU 60 -5.913 9.690 0.580 440 HD11 LEU 60 1HD1 LEU 60 -6.592 8.757 -1.363 441 HD12 LEU 60 2HD1 LEU 60 -7.454 10.204 -1.887 442 HD13 LEU 60 3HD1 LEU 60 -8.188 9.119 -0.707 443 HD21 LEU 60 1HD2 LEU 60 -4.941 11.670 0.096 444 HD22 LEU 60 2HD2 LEU 60 -6.457 12.417 -0.410 445 HD23 LEU 60 3HD2 LEU 60 -5.592 11.344 -1.512 446 H ARG 61 H ARG 61 -9.558 9.348 3.115 447 HA ARG 61 HA ARG 61 -11.118 11.515 3.970 448 HB2 ARG 61 2HB ARG 61 -12.149 9.442 3.272 449 HB3 ARG 61 3HB ARG 61 -11.362 8.567 4.577 450 HG2 ARG 61 2HG ARG 61 -12.822 10.690 5.742 451 HG3 ARG 61 3HG ARG 61 -13.876 9.888 4.575 452 HD2 ARG 61 2HD ARG 61 -12.817 7.731 5.747 453 HD3 ARG 61 3HD ARG 61 -12.694 8.868 7.089 454 HE ARG 61 HE ARG 61 -15.278 9.012 6.006 455 HH11 ARG 61 1HH1 ARG 61 -13.249 6.837 7.814 456 HH12 ARG 61 2HH1 ARG 61 -14.573 6.067 8.624 457 HH21 ARG 61 1HH2 ARG 61 -17.030 8.006 7.065 458 HH22 ARG 61 2HH2 ARG 61 -16.723 6.732 8.195 459 H LEU 62 H LEU 62 -9.455 9.020 5.897 460 HA LEU 62 HA LEU 62 -10.070 10.173 8.402 461 HB2 LEU 62 2HB LEU 62 -8.610 7.922 7.406 462 HB3 LEU 62 3HB LEU 62 -7.645 8.749 8.626 463 HG LEU 62 HG LEU 62 -8.906 6.967 9.650 464 HD11 LEU 62 1HD1 LEU 62 -8.576 9.147 10.847 465 HD12 LEU 62 2HD1 LEU 62 -9.929 8.173 11.421 466 HD13 LEU 62 3HD1 LEU 62 -10.226 9.570 10.387 467 HD21 LEU 62 1HD2 LEU 62 -10.725 7.036 7.874 468 HD22 LEU 62 2HD2 LEU 62 -11.448 8.339 8.819 469 HD23 LEU 62 3HD2 LEU 62 -11.243 6.738 9.534 470 H VAL 63 H VAL 63 -7.346 10.538 6.197 471 HA VAL 63 HA VAL 63 -5.646 11.989 7.903 472 HB VAL 63 HB VAL 63 -5.867 12.137 4.893 473 HG11 VAL 63 1HG1 VAL 63 -3.394 12.804 5.183 474 HG12 VAL 63 2HG1 VAL 63 -4.635 14.023 5.481 475 HG13 VAL 63 3HG1 VAL 63 -3.854 13.209 6.837 476 HG21 VAL 63 1HG2 VAL 63 -3.598 10.705 5.974 477 HG22 VAL 63 2HG2 VAL 63 -5.125 9.995 6.500 478 HG23 VAL 63 3HG2 VAL 63 -4.789 10.190 4.779 479 H ILE 64 H ILE 64 -7.891 13.161 5.391 480 HA ILE 64 HA ILE 64 -7.523 15.890 5.840 481 HB ILE 64 HB ILE 64 -10.012 14.478 4.876 482 HG12 ILE 64 2HG1 ILE 64 -8.091 15.931 3.104 483 HG13 ILE 64 3HG1 ILE 64 -7.674 14.313 3.656 484 HG21 ILE 64 1HG2 ILE 64 -9.349 17.318 5.262 485 HG22 ILE 64 2HG2 ILE 64 -10.068 16.910 3.704 486 HG23 ILE 64 3HG2 ILE 64 -10.918 16.515 5.198 487 HD11 ILE 64 1HD1 ILE 64 -10.047 13.705 2.788 488 HD12 ILE 64 2HD1 ILE 64 -9.874 15.189 1.853 489 HD13 ILE 64 3HD1 ILE 64 -8.707 13.882 1.656 490 H CYS 65 H CYS 65 -9.623 13.565 7.432 491 HA CYS 65 HA CYS 65 -11.139 15.467 8.902 492 HB2 CYS 65 2HB CYS 65 -12.031 13.253 8.566 493 HB3 CYS 65 3HB CYS 65 -10.636 12.521 9.349 494 HG CYS 65 HG CYS 65 -11.279 13.188 11.886 495 H ASP 66 H ASP 66 -8.487 13.294 9.881 496 HA ASP 66 HA ASP 66 -8.205 14.291 12.484 497 HB2 ASP 66 2HB ASP 66 -6.018 13.112 10.759 498 HB3 ASP 66 3HB ASP 66 -6.058 13.171 12.519 499 H LEU 67 H LEU 67 -6.335 15.075 9.553 500 HA LEU 67 HA LEU 67 -4.671 17.002 10.668 501 HB2 LEU 67 2HB LEU 67 -4.602 15.942 8.347 502 HB3 LEU 67 3HB LEU 67 -5.768 17.178 7.877 503 HG LEU 67 HG LEU 67 -4.149 18.924 8.401 504 HD11 LEU 67 1HD1 LEU 67 -1.726 18.011 8.731 505 HD12 LEU 67 2HD1 LEU 67 -2.558 16.603 9.390 506 HD13 LEU 67 3HD1 LEU 67 -2.805 18.191 10.116 507 HD21 LEU 67 1HD2 LEU 67 -2.284 17.715 6.756 508 HD22 LEU 67 2HD2 LEU 67 -3.694 18.639 6.239 509 HD23 LEU 67 3HD2 LEU 67 -3.791 16.882 6.370 510 H GLN 68 H GLN 68 -7.955 17.275 9.437 511 HA GLN 68 HA GLN 68 -8.161 20.068 9.391 512 HB2 GLN 68 2HB GLN 68 -10.040 17.790 9.436 513 HB3 GLN 68 3HB GLN 68 -10.690 19.314 10.024 514 HG2 GLN 68 2HG GLN 68 -9.249 19.148 7.406 515 HG3 GLN 68 3HG GLN 68 -10.960 18.745 7.544 516 HE21 GLN 68 1HE2 GLN 68 -11.612 20.449 6.261 517 HE22 GLN 68 2HE2 GLN 68 -11.545 22.093 6.790 518 H GLU 69 H GLU 69 -9.021 17.761 11.964 519 HA GLU 69 HA GLU 69 -9.927 19.595 13.847 520 HB2 GLU 69 2HB GLU 69 -10.247 17.217 14.154 521 HB3 GLU 69 3HB GLU 69 -8.512 16.958 14.253 522 HG2 GLU 69 2HG GLU 69 -8.372 18.018 16.353 523 HG3 GLU 69 3HG GLU 69 -10.003 18.674 16.212 524 H ARG 70 H ARG 70 -6.643 18.363 13.309 525 HA ARG 70 HA ARG 70 -5.457 19.830 15.427 526 HB2 ARG 70 2HB ARG 70 -4.437 18.332 13.050 527 HB3 ARG 70 3HB ARG 70 -3.337 19.393 13.919 528 HG2 ARG 70 2HG ARG 70 -3.205 18.021 15.697 529 HG3 ARG 70 3HG ARG 70 -4.902 17.546 15.590 530 HD2 ARG 70 2HD ARG 70 -3.554 16.550 13.296 531 HD3 ARG 70 3HD ARG 70 -2.600 16.128 14.718 532 HE ARG 70 HE ARG 70 -5.410 15.563 14.982 533 HH11 ARG 70 1HH1 ARG 70 -2.328 14.366 13.892 534 HH12 ARG 70 2HH1 ARG 70 -2.783 12.699 14.019 535 HH21 ARG 70 1HH2 ARG 70 -6.022 13.372 15.153 536 HH22 ARG 70 2HH2 ARG 70 -4.885 12.135 14.735 537 H ARG 71 H ARG 71 -6.094 20.523 12.050 538 HA ARG 71 HA ARG 71 -4.439 22.754 11.721 539 HB2 ARG 71 2HB ARG 71 -5.457 21.770 9.798 540 HB3 ARG 71 3HB ARG 71 -7.072 22.015 10.448 541 HG2 ARG 71 2HG ARG 71 -6.967 24.347 10.091 542 HG3 ARG 71 3HG ARG 71 -5.231 24.292 9.780 543 HD2 ARG 71 2HD ARG 71 -5.980 24.389 7.632 544 HD3 ARG 71 3HD ARG 71 -6.005 22.640 7.859 545 HE ARG 71 HE ARG 71 -8.295 22.688 7.748 546 HH11 ARG 71 1HH1 ARG 71 -7.090 25.927 8.163 547 HH12 ARG 71 2HH1 ARG 71 -8.627 26.675 7.886 548 HH21 ARG 71 1HH2 ARG 71 -10.326 23.661 7.381 549 HH22 ARG 71 2HH2 ARG 71 -10.467 25.386 7.443 550 H GLU 72 H GLU 72 -7.754 22.496 12.938 551 HA GLU 72 HA GLU 72 -8.140 25.298 13.243 552 HB2 GLU 72 2HB GLU 72 -9.705 22.967 13.513 553 HB3 GLU 72 3HB GLU 72 -9.750 23.773 15.076 554 HG2 GLU 72 2HG GLU 72 -10.261 25.293 12.552 555 HG3 GLU 72 3HG GLU 72 -11.537 24.352 13.321 556 H LYS 73 H LYS 73 -7.392 22.699 15.555 557 HA LYS 73 HA LYS 73 -7.273 24.181 17.881 558 HB2 LYS 73 2HB LYS 73 -5.720 21.764 16.980 559 HB3 LYS 73 3HB LYS 73 -5.502 22.456 18.582 560 HG2 LYS 73 2HG LYS 73 -8.010 22.191 18.873 561 HG3 LYS 73 3HG LYS 73 -7.963 21.192 17.418 562 HD2 LYS 73 2HD LYS 73 -7.707 19.574 19.014 563 HD3 LYS 73 3HD LYS 73 -6.014 19.987 18.732 564 HE2 LYS 73 2HE LYS 73 -6.660 21.789 20.642 565 HE3 LYS 73 3HE LYS 73 -7.716 20.451 21.091 566 HZ1 LYS 73 1HZ LYS 73 -4.772 20.295 20.728 567 HZ2 LYS 73 2HZ LYS 73 -5.777 18.995 21.125 568 HZ3 LYS 73 3HZ LYS 73 -5.592 20.282 22.208 569 H PHE 74 H PHE 74 -4.942 23.962 15.283 570 HA PHE 74 HA PHE 74 -2.977 25.508 16.780 571 HB2 PHE 74 2HB PHE 74 -2.235 23.595 15.388 572 HB3 PHE 74 3HB PHE 74 -2.836 24.428 13.957 573 HD1 PHE 74 HD1 PHE 74 -0.341 24.584 16.674 574 HD2 PHE 74 HD2 PHE 74 -1.555 26.084 12.881 575 HE1 PHE 74 HE1 PHE 74 1.828 25.722 16.433 576 HE2 PHE 74 HE2 PHE 74 0.611 27.224 12.634 577 HZ PHE 74 HZ PHE 74 2.307 27.042 14.411 578 H GLY 75 H GLY 75 -5.404 25.916 14.349 579 HA2 GLY 75 2HA GLY 75 -6.282 28.164 14.037 580 HA3 GLY 75 3HA GLY 75 -4.629 28.755 14.127 581 H SER 76 H SER 76 -6.181 29.553 12.053 582 HA SER 76 HA SER 76 -5.854 27.855 9.762 583 HB2 SER 76 2HB SER 76 -7.579 29.845 10.298 584 HB3 SER 76 3HB SER 76 -6.374 30.757 9.391 585 HG SER 76 HG SER 76 -7.918 29.911 7.983 586 H SER 77 H SER 77 -4.199 27.762 8.383 587 HA SER 77 HA SER 77 -2.297 29.974 8.237 588 HB2 SER 77 2HB SER 77 -0.803 28.891 9.523 589 HB3 SER 77 3HB SER 77 -1.764 27.412 9.515 590 HG SER 77 HG SER 77 0.477 27.944 8.170 591 H LYS 78 H LYS 78 -1.154 30.092 6.300 592 HA LYS 78 HA LYS 78 -2.454 29.113 4.015 593 HB2 LYS 78 2HB LYS 78 0.193 30.439 4.496 594 HB3 LYS 78 3HB LYS 78 -0.205 29.827 2.897 595 HG2 LYS 78 2HG LYS 78 -2.020 31.703 4.375 596 HG3 LYS 78 3HG LYS 78 -0.688 32.277 3.369 597 HD2 LYS 78 2HD LYS 78 -1.645 31.436 1.414 598 HD3 LYS 78 3HD LYS 78 -2.707 30.337 2.296 599 HE2 LYS 78 2HE LYS 78 -2.943 33.325 2.517 600 HE3 LYS 78 3HE LYS 78 -3.772 32.408 1.260 601 HZ1 LYS 78 1HZ LYS 78 -4.477 31.024 3.411 602 HZ2 LYS 78 2HZ LYS 78 -5.378 32.325 2.814 603 HZ3 LYS 78 3HZ LYS 78 -4.316 32.557 4.110 604 H GLU 79 H GLU 79 0.174 27.836 5.919 605 HA GLU 79 HA GLU 79 1.034 25.915 3.981 606 HB2 GLU 79 2HB GLU 79 1.598 26.420 6.874 607 HB3 GLU 79 3HB GLU 79 2.056 24.874 6.173 608 HG2 GLU 79 2HG GLU 79 3.085 26.529 4.330 609 HG3 GLU 79 3HG GLU 79 3.194 27.558 5.757 610 H ILE 80 H ILE 80 -0.812 25.657 7.019 611 HA ILE 80 HA ILE 80 -1.417 22.916 6.742 612 HB ILE 80 HB ILE 80 -1.585 24.219 8.871 613 HG12 ILE 80 2HG1 ILE 80 -3.665 23.054 9.650 614 HG13 ILE 80 3HG1 ILE 80 -4.001 22.635 7.974 615 HG21 ILE 80 1HG2 ILE 80 -4.149 25.218 7.638 616 HG22 ILE 80 2HG2 ILE 80 -3.657 25.454 9.314 617 HG23 ILE 80 3HG2 ILE 80 -2.723 26.186 8.011 618 HD11 ILE 80 1HD1 ILE 80 -1.331 21.890 8.940 619 HD12 ILE 80 2HD1 ILE 80 -2.682 21.049 9.701 620 HD13 ILE 80 3HD1 ILE 80 -2.480 20.990 7.951 621 H ASP 81 H ASP 81 -2.948 25.816 5.536 622 HA ASP 81 HA ASP 81 -5.425 24.634 4.811 623 HB2 ASP 81 2HB ASP 81 -4.004 27.172 4.090 624 HB3 ASP 81 3HB ASP 81 -5.436 26.689 3.185 625 H MET 82 H MET 82 -2.466 25.352 2.978 626 HA MET 82 HA MET 82 -3.366 24.398 0.497 627 HB2 MET 82 2HB MET 82 -0.637 24.774 1.696 628 HB3 MET 82 3HB MET 82 -0.830 24.068 0.097 629 HG2 MET 82 2HG MET 82 -1.936 26.748 0.895 630 HG3 MET 82 3HG MET 82 -0.373 26.514 0.115 631 HE1 MET 82 1HE MET 82 -3.461 27.911 -2.290 632 HE2 MET 82 2HE MET 82 -3.288 28.049 -0.541 633 HE3 MET 82 3HE MET 82 -1.943 28.481 -1.597 634 H ALA 83 H ALA 83 -1.857 22.773 3.229 635 HA ALA 83 HA ALA 83 -1.336 20.308 1.964 636 HB1 ALA 83 1HB ALA 83 -1.164 21.393 4.610 637 HB2 ALA 83 2HB ALA 83 -1.883 19.784 4.668 638 HB3 ALA 83 3HB ALA 83 -0.309 20.019 3.909 639 H ILE 84 H ILE 84 -4.121 21.451 3.847 640 HA ILE 84 HA ILE 84 -5.575 19.037 3.756 641 HB ILE 84 HB ILE 84 -6.525 21.882 4.093 642 HG12 ILE 84 2HG1 ILE 84 -5.024 20.954 5.856 643 HG13 ILE 84 3HG1 ILE 84 -6.635 21.345 6.447 644 HG21 ILE 84 1HG2 ILE 84 -8.497 20.925 3.465 645 HG22 ILE 84 2HG2 ILE 84 -8.009 19.313 3.986 646 HG23 ILE 84 3HG2 ILE 84 -8.512 20.511 5.179 647 HD11 ILE 84 1HD1 ILE 84 -5.630 18.599 5.741 648 HD12 ILE 84 2HD1 ILE 84 -5.853 19.246 7.366 649 HD13 ILE 84 3HD1 ILE 84 -7.250 18.987 6.321 650 H VAL 85 H VAL 85 -6.054 22.034 1.876 651 HA VAL 85 HA VAL 85 -8.016 21.141 0.155 652 HB VAL 85 HB VAL 85 -7.233 23.483 0.272 653 HG11 VAL 85 1HG1 VAL 85 -4.830 23.062 0.310 654 HG12 VAL 85 2HG1 VAL 85 -4.898 22.479 -1.354 655 HG13 VAL 85 3HG1 VAL 85 -5.257 24.168 -0.994 656 HG21 VAL 85 1HG2 VAL 85 -8.634 22.962 -1.560 657 HG22 VAL 85 2HG2 VAL 85 -7.297 23.901 -2.224 658 HG23 VAL 85 3HG2 VAL 85 -7.329 22.149 -2.424 659 H THR 86 H THR 86 -4.566 20.549 0.060 660 HA THR 86 HA THR 86 -4.492 19.496 -2.585 661 HB THR 86 HB THR 86 -2.584 19.202 -0.262 662 HG1 THR 86 HG1 THR 86 -2.878 21.283 -1.415 663 HG21 THR 86 1HG2 THR 86 -1.741 17.443 -1.374 664 HG22 THR 86 2HG2 THR 86 -1.154 18.631 -2.538 665 HG23 THR 86 3HG2 THR 86 -2.682 17.796 -2.822 666 H LEU 87 H LEU 87 -4.798 18.051 0.630 667 HA LEU 87 HA LEU 87 -4.651 15.359 -0.177 668 HB2 LEU 87 2HB LEU 87 -5.196 16.826 2.220 669 HB3 LEU 87 3HB LEU 87 -6.378 15.531 2.044 670 HG LEU 87 HG LEU 87 -4.371 14.953 3.418 671 HD11 LEU 87 1HD1 LEU 87 -5.020 12.903 2.887 672 HD12 LEU 87 2HD1 LEU 87 -3.956 12.956 1.483 673 HD13 LEU 87 3HD1 LEU 87 -5.638 13.462 1.333 674 HD21 LEU 87 1HD2 LEU 87 -2.252 14.679 2.456 675 HD22 LEU 87 2HD2 LEU 87 -2.811 16.242 1.861 676 HD23 LEU 87 3HD2 LEU 87 -2.881 14.823 0.815 677 H LYS 88 H LYS 88 -7.343 17.618 0.058 678 HA LYS 88 HA LYS 88 -9.356 15.659 -0.493 679 HB2 LYS 88 2HB LYS 88 -9.490 18.672 -0.725 680 HB3 LYS 88 3HB LYS 88 -10.865 17.575 -0.712 681 HG2 LYS 88 2HG LYS 88 -10.701 17.170 1.536 682 HG3 LYS 88 3HG LYS 88 -8.973 17.529 1.585 683 HD2 LYS 88 2HD LYS 88 -9.379 19.640 2.158 684 HD3 LYS 88 3HD LYS 88 -10.437 19.859 0.762 685 HE2 LYS 88 2HE LYS 88 -12.307 19.584 1.982 686 HE3 LYS 88 3HE LYS 88 -11.601 18.295 2.957 687 HZ1 LYS 88 1HZ LYS 88 -10.464 20.889 3.467 688 HZ2 LYS 88 2HZ LYS 88 -11.028 19.723 4.554 689 HZ3 LYS 88 3HZ LYS 88 -12.115 20.797 3.828 690 H VAL 89 H VAL 89 -8.183 18.433 -2.411 691 HA VAL 89 HA VAL 89 -9.435 17.851 -4.793 692 HB VAL 89 HB VAL 89 -8.112 19.914 -4.323 693 HG11 VAL 89 1HG1 VAL 89 -5.688 18.364 -5.179 694 HG12 VAL 89 2HG1 VAL 89 -5.775 19.978 -4.470 695 HG13 VAL 89 3HG1 VAL 89 -6.115 18.559 -3.480 696 HG21 VAL 89 1HG2 VAL 89 -7.699 20.356 -6.558 697 HG22 VAL 89 2HG2 VAL 89 -7.101 18.728 -6.877 698 HG23 VAL 89 3HG2 VAL 89 -8.828 19.004 -6.648 699 H PHE 90 H PHE 90 -6.594 16.372 -3.400 700 HA PHE 90 HA PHE 90 -5.813 15.002 -5.799 701 HB2 PHE 90 2HB PHE 90 -4.161 15.562 -4.076 702 HB3 PHE 90 3HB PHE 90 -5.004 14.537 -2.920 703 HD1 PHE 90 HD1 PHE 90 -4.273 12.378 -2.619 704 HD2 PHE 90 HD2 PHE 90 -3.414 14.360 -6.287 705 HE1 PHE 90 HE1 PHE 90 -2.917 10.454 -3.338 706 HE2 PHE 90 HE2 PHE 90 -2.058 12.439 -7.011 707 HZ PHE 90 HZ PHE 90 -1.809 10.482 -5.537 708 H ALA 91 H ALA 91 -7.602 14.173 -2.868 709 HA ALA 91 HA ALA 91 -7.899 11.414 -3.465 710 HB1 ALA 91 1HB ALA 91 -9.156 11.275 -1.555 711 HB2 ALA 91 2HB ALA 91 -8.247 12.751 -1.231 712 HB3 ALA 91 3HB ALA 91 -9.912 12.850 -1.804 713 H VAL 92 H VAL 92 -9.934 14.256 -4.036 714 HA VAL 92 HA VAL 92 -12.098 12.779 -5.170 715 HB VAL 92 HB VAL 92 -11.496 15.709 -5.573 716 HG11 VAL 92 1HG1 VAL 92 -13.340 15.657 -6.810 717 HG12 VAL 92 2HG1 VAL 92 -13.620 13.962 -6.410 718 HG13 VAL 92 3HG1 VAL 92 -14.245 15.232 -5.358 719 HG21 VAL 92 1HG2 VAL 92 -13.360 15.664 -3.618 720 HG22 VAL 92 2HG2 VAL 92 -12.421 14.231 -3.200 721 HG23 VAL 92 3HG2 VAL 92 -11.626 15.801 -3.323 722 H ALA 93 H ALA 93 -9.616 14.904 -6.601 723 HA ALA 93 HA ALA 93 -10.331 14.227 -9.282 724 HB1 ALA 93 1HB ALA 93 -9.237 16.375 -8.523 725 HB2 ALA 93 2HB ALA 93 -7.733 15.460 -8.400 726 HB3 ALA 93 3HB ALA 93 -8.545 15.618 -9.959 727 H GLY 94 H GLY 94 -8.680 12.550 -6.908 728 HA2 GLY 94 2HA GLY 94 -7.039 11.087 -8.873 729 HA3 GLY 94 3HA GLY 94 -6.764 11.101 -7.137 730 H LEU 95 H LEU 95 -8.429 10.048 -5.783 731 HA LEU 95 HA LEU 95 -8.941 7.432 -6.678 732 HB2 LEU 95 2HB LEU 95 -9.870 9.032 -4.321 733 HB3 LEU 95 3HB LEU 95 -10.473 7.400 -4.605 734 HG LEU 95 HG LEU 95 -8.692 7.330 -2.988 735 HD11 LEU 95 1HD1 LEU 95 -7.437 5.607 -3.909 736 HD12 LEU 95 2HD1 LEU 95 -7.433 6.335 -5.515 737 HD13 LEU 95 3HD1 LEU 95 -8.907 5.599 -4.884 738 HD21 LEU 95 1HD2 LEU 95 -6.555 8.224 -3.291 739 HD22 LEU 95 2HD2 LEU 95 -7.637 9.481 -3.892 740 HD23 LEU 95 3HD2 LEU 95 -6.786 8.431 -5.027 741 H LEU 96 H LEU 96 -11.083 10.232 -6.282 742 HA LEU 96 HA LEU 96 -13.378 8.802 -7.269 743 HB2 LEU 96 2HB LEU 96 -12.978 11.093 -5.773 744 HB3 LEU 96 3HB LEU 96 -13.575 11.700 -7.317 745 HG LEU 96 HG LEU 96 -15.422 11.440 -5.807 746 HD11 LEU 96 1HD1 LEU 96 -16.861 10.061 -7.117 747 HD12 LEU 96 2HD1 LEU 96 -15.496 9.140 -7.749 748 HD13 LEU 96 3HD1 LEU 96 -15.708 10.829 -8.209 749 HD21 LEU 96 1HD2 LEU 96 -13.980 9.188 -4.900 750 HD22 LEU 96 2HD2 LEU 96 -15.535 8.607 -5.496 751 HD23 LEU 96 3HD2 LEU 96 -15.479 9.859 -4.254 752 H ASN 97 H ASN 97 -10.705 9.981 -8.759 753 HA ASN 97 HA ASN 97 -10.167 10.620 -10.880 754 HB2 ASN 97 2HB ASN 97 -12.693 9.173 -11.681 755 HB3 ASN 97 3HB ASN 97 -11.231 9.393 -12.637 756 HD21 ASN 97 1HD2 ASN 97 -12.835 7.053 -11.404 757 HD22 ASN 97 2HD2 ASN 97 -11.597 6.045 -10.746 758 H MET 98 H MET 98 -11.848 12.441 -9.353 759 HA MET 98 HA MET 98 -13.826 13.567 -11.065 760 HB2 MET 98 2HB MET 98 -13.320 13.811 -8.439 761 HB3 MET 98 3HB MET 98 -12.529 15.273 -9.013 762 HG2 MET 98 2HG MET 98 -15.225 14.809 -10.081 763 HG3 MET 98 3HG MET 98 -15.137 15.103 -8.345 764 HE1 MET 98 1HE MET 98 -16.826 16.647 -9.590 765 HE2 MET 98 2HE MET 98 -16.429 18.341 -9.306 766 HE3 MET 98 3HE MET 98 -16.331 17.673 -10.936 767 H THR 99 H THR 99 -13.738 15.715 -12.018 768 HA THR 99 HA THR 99 -11.078 16.268 -13.141 769 HB THR 99 HB THR 99 -12.760 15.734 -14.821 770 HG1 THR 99 HG1 THR 99 -11.332 17.218 -15.590 771 HG21 THR 99 1HG2 THR 99 -14.533 17.728 -15.051 772 HG22 THR 99 2HG2 THR 99 -14.344 17.719 -13.297 773 HG23 THR 99 3HG2 THR 99 -14.864 16.258 -14.136 774 H VAL 100 H VAL 100 -11.351 17.250 -10.645 775 HA VAL 100 HA VAL 100 -12.514 19.716 -10.237 776 HB VAL 100 HB VAL 100 -9.841 18.781 -9.180 777 HG11 VAL 100 1HG1 VAL 100 -11.702 20.920 -8.150 778 HG12 VAL 100 2HG1 VAL 100 -10.223 20.370 -7.361 779 HG13 VAL 100 3HG1 VAL 100 -10.140 21.190 -8.920 780 HG21 VAL 100 1HG2 VAL 100 -11.049 17.955 -7.276 781 HG22 VAL 100 2HG2 VAL 100 -12.568 18.594 -7.904 782 HG23 VAL 100 3HG2 VAL 100 -11.761 17.262 -8.733 783 H SER 101 H SER 101 -12.030 21.803 -10.709 784 HA SER 101 HA SER 101 -9.914 22.229 -12.693 785 HB2 SER 101 2HB SER 101 -12.529 23.511 -12.116 786 HB3 SER 101 3HB SER 101 -11.247 24.566 -12.711 787 HG SER 101 HG SER 101 -11.653 22.141 -14.030 788 H THR 102 H THR 102 -10.975 23.203 -9.513 789 HA THR 102 HA THR 102 -8.417 24.581 -9.128 790 HB THR 102 HB THR 102 -9.391 26.477 -8.051 791 HG1 THR 102 HG1 THR 102 -11.654 26.648 -7.779 792 HG21 THR 102 1HG2 THR 102 -9.369 26.383 -10.592 793 HG22 THR 102 2HG2 THR 102 -10.452 27.569 -9.863 794 HG23 THR 102 3HG2 THR 102 -11.098 26.056 -10.495 795 H ALA 103 H ALA 103 -7.538 24.352 -7.114 796 HA ALA 103 HA ALA 103 -8.174 22.176 -5.545 797 HB1 ALA 103 1HB ALA 103 -6.931 24.554 -4.248 798 HB2 ALA 103 2HB ALA 103 -6.502 22.847 -4.123 799 HB3 ALA 103 3HB ALA 103 -6.086 23.756 -5.575 800 H ALA 104 H ALA 104 -9.377 25.468 -5.340 801 HA ALA 104 HA ALA 104 -10.592 25.295 -2.806 802 HB1 ALA 104 1HB ALA 104 -11.441 26.998 -5.145 803 HB2 ALA 104 2HB ALA 104 -11.838 27.265 -3.447 804 HB3 ALA 104 3HB ALA 104 -10.169 27.413 -3.995 805 H ALA 105 H ALA 105 -12.030 24.969 -6.056 806 HA ALA 105 HA ALA 105 -14.613 24.330 -5.307 807 HB1 ALA 105 1HB ALA 105 -14.304 22.816 -7.545 808 HB2 ALA 105 2HB ALA 105 -14.619 24.553 -7.540 809 HB3 ALA 105 3HB ALA 105 -12.967 23.957 -7.704 810 H ALA 106 H ALA 106 -11.783 22.241 -5.531 811 HA ALA 106 HA ALA 106 -13.087 19.770 -5.230 812 HB1 ALA 106 1HB ALA 106 -10.558 19.600 -3.983 813 HB2 ALA 106 2HB ALA 106 -11.012 19.083 -5.607 814 HB3 ALA 106 3HB ALA 106 -10.400 20.716 -5.340 815 H GLU 107 H GLU 107 -11.456 21.792 -2.782 816 HA GLU 107 HA GLU 107 -12.094 20.220 -0.564 817 HB2 GLU 107 2HB GLU 107 -10.432 21.929 -0.354 818 HB3 GLU 107 3HB GLU 107 -11.576 23.182 -0.814 819 HG2 GLU 107 2HG GLU 107 -12.526 23.273 1.244 820 HG3 GLU 107 3HG GLU 107 -12.212 21.572 1.587 821 H ASN 108 H ASN 108 -13.842 22.945 -2.014 822 HA ASN 108 HA ASN 108 -15.893 23.142 -0.128 823 HB2 ASN 108 2HB ASN 108 -15.428 24.060 -2.878 824 HB3 ASN 108 3HB ASN 108 -17.129 23.837 -2.478 825 HD21 ASN 108 1HD2 ASN 108 -17.633 24.717 -0.174 826 HD22 ASN 108 2HD2 ASN 108 -17.057 26.319 0.125 827 H MET 109 H MET 109 -15.466 20.978 -2.851 828 HA MET 109 HA MET 109 -18.139 19.922 -2.715 829 HB2 MET 109 2HB MET 109 -16.250 19.962 -4.668 830 HB3 MET 109 3HB MET 109 -16.053 18.324 -4.058 831 HG2 MET 109 2HG MET 109 -18.794 18.632 -4.301 832 HG3 MET 109 3HG MET 109 -18.134 19.448 -5.717 833 HE1 MET 109 1HE MET 109 -16.458 15.692 -4.285 834 HE2 MET 109 2HE MET 109 -17.697 16.607 -3.427 835 HE3 MET 109 3HE MET 109 -18.150 15.208 -4.403 836 H TYR 110 H TYR 110 -14.914 18.531 -2.079 837 HA TYR 110 HA TYR 110 -15.710 16.114 -1.015 838 HB2 TYR 110 2HB TYR 110 -13.348 16.887 -1.531 839 HB3 TYR 110 3HB TYR 110 -13.363 17.701 0.029 840 HD1 TYR 110 HD1 TYR 110 -12.921 16.515 2.017 841 HD2 TYR 110 HD2 TYR 110 -13.643 14.377 -1.590 842 HE1 TYR 110 HE1 TYR 110 -12.211 14.432 3.116 843 HE2 TYR 110 HE2 TYR 110 -12.936 12.288 -0.500 844 HH TYR 110 HH TYR 110 -11.198 11.927 1.829 845 H SER 111 H SER 111 -15.728 19.276 0.451 846 HA SER 111 HA SER 111 -16.272 18.221 3.101 847 HB2 SER 111 2HB SER 111 -14.891 20.195 3.003 848 HB3 SER 111 3HB SER 111 -16.095 21.048 2.037 849 HG SER 111 HG SER 111 -17.270 21.398 3.779 850 H GLN 112 H GLN 112 -17.982 19.715 0.432 851 HA GLN 112 HA GLN 112 -20.391 20.298 1.764 852 HB2 GLN 112 2HB GLN 112 -19.990 21.288 -0.372 853 HB3 GLN 112 3HB GLN 112 -19.781 19.715 -1.132 854 HG2 GLN 112 2HG GLN 112 -22.382 20.367 0.162 855 HG3 GLN 112 3HG GLN 112 -22.002 21.057 -1.414 856 HE21 GLN 112 1HE2 GLN 112 -24.135 19.388 -1.123 857 HE22 GLN 112 2HE2 GLN 112 -23.822 17.887 -1.917 858 H MET 113 H MET 113 -19.132 17.359 0.343 859 HA MET 113 HA MET 113 -21.643 15.951 0.530 860 HB2 MET 113 2HB MET 113 -19.118 15.530 -0.737 861 HB3 MET 113 3HB MET 113 -19.473 14.134 0.271 862 HG2 MET 113 2HG MET 113 -21.853 14.745 -1.078 863 HG3 MET 113 3HG MET 113 -20.563 14.867 -2.270 864 HE1 MET 113 1HE MET 113 -19.760 11.424 -3.210 865 HE2 MET 113 2HE MET 113 -19.956 13.128 -3.623 866 HE3 MET 113 3HE MET 113 -18.673 12.629 -2.519 867 H GLY 114 H GLY 114 -19.097 16.711 2.647 868 HA2 GLY 114 2HA GLY 114 -19.181 16.307 4.971 869 HA3 GLY 114 3HA GLY 114 -20.253 14.947 4.672 870 H LEU 115 H LEU 115 -17.298 15.384 2.871 871 HA LEU 115 HA LEU 115 -16.269 12.919 4.074 872 HB2 LEU 115 2HB LEU 115 -15.195 14.313 1.639 873 HB3 LEU 115 3HB LEU 115 -14.945 12.641 2.135 874 HG LEU 115 HG LEU 115 -17.742 13.104 1.735 875 HD11 LEU 115 1HD1 LEU 115 -17.354 14.845 0.231 876 HD12 LEU 115 2HD1 LEU 115 -17.499 13.418 -0.794 877 HD13 LEU 115 3HD1 LEU 115 -15.906 14.081 -0.426 878 HD21 LEU 115 1HD2 LEU 115 -16.860 10.918 1.629 879 HD22 LEU 115 2HD2 LEU 115 -15.632 11.387 0.454 880 HD23 LEU 115 3HD2 LEU 115 -17.330 11.326 -0.022 881 H ASP 116 H ASP 116 -15.604 16.307 3.736 882 HA ASP 116 HA ASP 116 -12.859 16.265 4.416 883 HB2 ASP 116 2HB ASP 116 -12.990 18.590 4.529 884 HB3 ASP 116 3HB ASP 116 -14.297 18.185 3.419 885 H THR 117 H THR 117 -15.805 16.318 6.316 886 HA THR 117 HA THR 117 -16.205 16.203 8.558 887 HB THR 117 HB THR 117 -13.571 14.846 8.971 888 HG1 THR 117 HG1 THR 117 -14.811 14.214 6.898 889 HG21 THR 117 1HG2 THR 117 -15.337 13.253 10.119 890 HG22 THR 117 2HG2 THR 117 -16.335 14.705 10.076 891 HG23 THR 117 3HG2 THR 117 -14.785 14.726 10.916 892 H ARG 118 H ARG 118 -16.023 18.417 9.019 893 HA ARG 118 HA ARG 118 -13.436 19.455 9.860 894 HB2 ARG 118 2HB ARG 118 -15.979 20.587 8.982 895 HB3 ARG 118 3HB ARG 118 -15.321 21.412 10.388 896 HG2 ARG 118 2HG ARG 118 -13.135 21.148 8.736 897 HG3 ARG 118 3HG ARG 118 -14.461 21.474 7.617 898 HD2 ARG 118 2HD ARG 118 -14.947 23.271 9.615 899 HD3 ARG 118 3HD ARG 118 -13.185 23.220 9.593 900 HE ARG 118 HE ARG 118 -14.164 23.477 6.963 901 HH11 ARG 118 1HH1 ARG 118 -13.808 25.288 9.914 902 HH12 ARG 118 2HH1 ARG 118 -13.709 26.822 9.116 903 HH21 ARG 118 1HH2 ARG 118 -14.037 25.491 5.899 904 HH22 ARG 118 2HH2 ARG 118 -13.841 26.936 6.831 905 HA PRO 119 HA PRO 119 -13.994 19.029 14.190 906 HB2 PRO 119 2HB PRO 119 -13.005 21.371 15.144 907 HB3 PRO 119 3HB PRO 119 -11.980 20.102 14.461 908 HG2 PRO 119 2HG PRO 119 -12.997 22.611 13.181 909 HG3 PRO 119 3HG PRO 119 -11.381 21.888 13.097 910 HD2 PRO 119 2HD PRO 119 -13.203 21.617 11.112 911 HD3 PRO 119 3HD PRO 119 -12.012 20.358 11.492 Start of MODEL 12 1 H1 GLY 2 H GLY 2 9.066 4.420 0.669 2 HA2 GLY 2 2HA GLY 2 7.644 2.184 0.950 3 HA3 GLY 2 3HA GLY 2 6.995 3.144 2.271 4 H ASN 3 H ASN 3 7.842 3.706 -1.151 5 HA ASN 3 HA ASN 3 5.184 4.937 -1.483 6 HB2 ASN 3 2HB ASN 3 6.317 6.306 -3.317 7 HB3 ASN 3 3HB ASN 3 6.732 6.721 -1.657 8 HD21 ASN 3 1HD2 ASN 3 7.850 5.448 -4.653 9 HD22 ASN 3 2HD2 ASN 3 9.523 5.351 -4.235 10 H GLY 4 H GLY 4 4.619 5.056 -3.933 11 HA2 GLY 4 2HA GLY 4 5.436 2.546 -5.249 12 HA3 GLY 4 3HA GLY 4 3.735 2.961 -5.089 13 H GLN 5 H GLN 5 5.867 2.700 -7.361 14 HA GLN 5 HA GLN 5 5.096 5.191 -8.733 15 HB2 GLN 5 2HB GLN 5 7.675 3.758 -8.567 16 HB3 GLN 5 3HB GLN 5 7.236 4.346 -10.165 17 HG2 GLN 5 2HG GLN 5 8.370 6.152 -9.390 18 HG3 GLN 5 3HG GLN 5 6.746 6.567 -8.843 19 HE21 GLN 5 1HE2 GLN 5 9.743 5.010 -7.812 20 HE22 GLN 5 2HE2 GLN 5 9.608 5.449 -6.147 21 H GLY 6 H GLY 6 3.404 4.660 -9.982 22 HA2 GLY 6 2HA GLY 6 3.830 2.691 -12.076 23 HA3 GLY 6 3HA GLY 6 2.516 2.335 -10.965 24 H ARG 7 H ARG 7 1.275 2.433 -13.019 25 HA ARG 7 HA ARG 7 0.921 4.856 -14.421 26 HB2 ARG 7 2HB ARG 7 0.072 2.259 -14.744 27 HB3 ARG 7 3HB ARG 7 -1.422 3.097 -14.344 28 HG2 ARG 7 2HG ARG 7 -0.892 4.731 -16.162 29 HG3 ARG 7 3HG ARG 7 0.450 3.681 -16.623 30 HD2 ARG 7 2HD ARG 7 -1.948 2.135 -16.329 31 HD3 ARG 7 3HD ARG 7 -2.242 3.494 -17.413 32 HE ARG 7 HE ARG 7 0.183 2.153 -18.056 33 HH11 ARG 7 1HH1 ARG 7 -3.279 1.940 -18.355 34 HH12 ARG 7 2HH1 ARG 7 -3.227 0.982 -19.798 35 HH21 ARG 7 1HH2 ARG 7 0.265 0.892 -19.955 36 HH22 ARG 7 2HH2 ARG 7 -1.209 0.386 -20.706 37 H ASP 8 H ASP 8 -0.893 3.371 -11.759 38 HA ASP 8 HA ASP 8 -2.957 5.232 -11.574 39 HB2 ASP 8 2HB ASP 8 -2.440 2.964 -10.278 40 HB3 ASP 8 3HB ASP 8 -1.845 4.087 -9.058 41 H TRP 9 H TRP 9 0.269 5.259 -10.125 42 HA TRP 9 HA TRP 9 -0.067 7.540 -8.522 43 HB2 TRP 9 2HB TRP 9 1.846 5.840 -8.489 44 HB3 TRP 9 3HB TRP 9 2.535 6.755 -9.827 45 HD1 TRP 9 HD1 TRP 9 4.438 8.188 -8.907 46 HE1 TRP 9 HE1 TRP 9 4.797 9.682 -6.843 47 HE3 TRP 9 HE3 TRP 9 -0.002 7.348 -6.515 48 HZ2 TRP 9 HZ2 TRP 9 3.385 10.409 -4.509 49 HZ3 TRP 9 HZ3 TRP 9 -0.419 8.482 -4.371 50 HH2 TRP 9 HH2 TRP 9 1.241 9.979 -3.390 51 H LYS 10 H LYS 10 1.404 7.234 -11.755 52 HA LYS 10 HA LYS 10 1.902 9.941 -12.187 53 HB2 LYS 10 2HB LYS 10 1.321 7.683 -14.099 54 HB3 LYS 10 3HB LYS 10 1.726 9.302 -14.653 55 HG2 LYS 10 2HG LYS 10 3.685 8.620 -12.767 56 HG3 LYS 10 3HG LYS 10 3.456 7.194 -13.780 57 HD2 LYS 10 2HD LYS 10 5.047 8.355 -14.978 58 HD3 LYS 10 3HD LYS 10 3.557 8.922 -15.737 59 HE2 LYS 10 2HE LYS 10 4.408 10.966 -15.353 60 HE3 LYS 10 3HE LYS 10 3.831 10.707 -13.708 61 HZ1 LYS 10 1HZ LYS 10 6.578 10.282 -14.738 62 HZ2 LYS 10 2HZ LYS 10 6.066 9.756 -13.214 63 HZ3 LYS 10 3HZ LYS 10 6.076 11.407 -13.579 64 H MET 11 H MET 11 -1.042 8.076 -12.562 65 HA MET 11 HA MET 11 -2.500 9.992 -14.048 66 HB2 MET 11 2HB MET 11 -3.237 7.621 -12.371 67 HB3 MET 11 3HB MET 11 -4.496 8.709 -12.940 68 HG2 MET 11 2HG MET 11 -3.568 8.348 -15.263 69 HG3 MET 11 3HG MET 11 -2.611 7.041 -14.572 70 HE1 MET 11 1HE MET 11 -5.697 5.836 -16.793 71 HE2 MET 11 2HE MET 11 -4.152 6.681 -16.883 72 HE3 MET 11 3HE MET 11 -4.209 5.001 -16.347 73 H ALA 12 H ALA 12 -2.120 9.407 -10.585 74 HA ALA 12 HA ALA 12 -4.050 11.260 -9.697 75 HB1 ALA 12 1HB ALA 12 -2.848 9.405 -8.385 76 HB2 ALA 12 2HB ALA 12 -1.577 10.603 -8.138 77 HB3 ALA 12 3HB ALA 12 -3.210 10.917 -7.552 78 H ILE 13 H ILE 13 -0.541 11.568 -10.171 79 HA ILE 13 HA ILE 13 -0.432 14.297 -9.377 80 HB ILE 13 HB ILE 13 1.517 12.718 -11.061 81 HG12 ILE 13 2HG1 ILE 13 1.122 11.776 -8.804 82 HG13 ILE 13 3HG1 ILE 13 2.757 12.398 -8.992 83 HG21 ILE 13 1HG2 ILE 13 1.829 15.353 -9.627 84 HG22 ILE 13 2HG2 ILE 13 3.144 14.443 -10.370 85 HG23 ILE 13 3HG2 ILE 13 1.844 15.092 -11.371 86 HD11 ILE 13 1HD1 ILE 13 0.974 14.415 -7.955 87 HD12 ILE 13 2HD1 ILE 13 0.986 12.967 -6.948 88 HD13 ILE 13 3HD1 ILE 13 2.495 13.807 -7.304 89 H LYS 14 H LYS 14 -0.566 12.670 -12.524 90 HA LYS 14 HA LYS 14 -0.345 14.982 -14.114 91 HB2 LYS 14 2HB LYS 14 0.008 12.814 -15.094 92 HB3 LYS 14 3HB LYS 14 -1.618 12.299 -14.665 93 HG2 LYS 14 2HG LYS 14 -2.461 13.128 -16.540 94 HG3 LYS 14 3HG LYS 14 -1.676 14.687 -16.282 95 HD2 LYS 14 2HD LYS 14 -0.723 13.965 -18.268 96 HD3 LYS 14 3HD LYS 14 0.469 13.460 -17.068 97 HE2 LYS 14 2HE LYS 14 0.297 11.512 -18.227 98 HE3 LYS 14 3HE LYS 14 -1.024 11.261 -17.088 99 HZ1 LYS 14 1HZ LYS 14 -1.243 12.221 -19.888 100 HZ2 LYS 14 2HZ LYS 14 -2.536 12.184 -18.798 101 HZ3 LYS 14 3HZ LYS 14 -1.788 10.742 -19.272 102 H ARG 15 H ARG 15 -3.185 13.227 -12.905 103 HA ARG 15 HA ARG 15 -5.153 14.764 -14.155 104 HB2 ARG 15 2HB ARG 15 -5.102 13.105 -11.656 105 HB3 ARG 15 3HB ARG 15 -6.532 14.044 -12.062 106 HG2 ARG 15 2HG ARG 15 -5.281 12.079 -13.960 107 HG3 ARG 15 3HG ARG 15 -6.531 11.635 -12.797 108 HD2 ARG 15 2HD ARG 15 -7.699 13.777 -13.915 109 HD3 ARG 15 3HD ARG 15 -6.716 13.235 -15.276 110 HE ARG 15 HE ARG 15 -8.248 11.141 -14.032 111 HH11 ARG 15 1HH1 ARG 15 -8.252 13.669 -16.425 112 HH12 ARG 15 2HH1 ARG 15 -9.510 12.948 -17.374 113 HH21 ARG 15 1HH2 ARG 15 -9.905 10.182 -15.273 114 HH22 ARG 15 2HH2 ARG 15 -10.450 10.965 -16.717 115 H CYS 16 H CYS 16 -3.713 15.131 -10.921 116 HA CYS 16 HA CYS 16 -5.179 17.428 -10.203 117 HB2 CYS 16 2HB CYS 16 -2.509 16.391 -9.241 118 HB3 CYS 16 3HB CYS 16 -3.346 17.753 -8.508 119 HG CYS 16 HG CYS 16 -4.033 14.458 -8.305 120 H SER 17 H SER 17 -2.356 16.969 -12.161 121 HA SER 17 HA SER 17 -1.163 19.475 -12.026 122 HB2 SER 17 2HB SER 17 -0.528 17.267 -13.347 123 HB3 SER 17 3HB SER 17 -1.336 18.099 -14.674 124 HG SER 17 HG SER 17 0.507 19.076 -14.900 125 H ASN 18 H ASN 18 -4.122 18.493 -13.529 126 HA ASN 18 HA ASN 18 -4.336 20.999 -15.017 127 HB2 ASN 18 2HB ASN 18 -4.966 18.733 -16.010 128 HB3 ASN 18 3HB ASN 18 -6.370 18.772 -14.947 129 HD21 ASN 18 1HD2 ASN 18 -7.588 18.686 -16.932 130 HD22 ASN 18 2HD2 ASN 18 -7.892 20.145 -17.808 131 H VAL 19 H VAL 19 -4.433 20.860 -12.066 132 HA VAL 19 HA VAL 19 -7.141 21.958 -11.666 133 HB VAL 19 HB VAL 19 -5.413 20.707 -9.530 134 HG11 VAL 19 1HG1 VAL 19 -7.770 22.316 -9.464 135 HG12 VAL 19 2HG1 VAL 19 -8.158 20.696 -8.878 136 HG13 VAL 19 3HG1 VAL 19 -6.861 21.623 -8.121 137 HG21 VAL 19 1HG2 VAL 19 -7.743 19.518 -11.034 138 HG22 VAL 19 2HG2 VAL 19 -6.059 19.005 -11.144 139 HG23 VAL 19 3HG2 VAL 19 -6.949 18.792 -9.637 140 H ALA 20 H ALA 20 -7.150 24.077 -11.370 141 HA ALA 20 HA ALA 20 -4.841 25.641 -11.028 142 HB1 ALA 20 1HB ALA 20 -6.208 27.431 -11.253 143 HB2 ALA 20 2HB ALA 20 -7.335 26.194 -11.814 144 HB3 ALA 20 3HB ALA 20 -7.425 26.780 -10.153 145 H VAL 21 H VAL 21 -3.587 25.488 -9.275 146 HA VAL 21 HA VAL 21 -4.354 24.676 -6.726 147 HB VAL 21 HB VAL 21 -2.076 26.568 -7.315 148 HG11 VAL 21 1HG1 VAL 21 -2.119 26.421 -5.032 149 HG12 VAL 21 2HG1 VAL 21 -2.829 24.804 -5.038 150 HG13 VAL 21 3HG1 VAL 21 -1.118 25.019 -5.411 151 HG21 VAL 21 1HG2 VAL 21 -2.508 23.827 -8.167 152 HG22 VAL 21 2HG2 VAL 21 -1.265 24.979 -8.656 153 HG23 VAL 21 3HG2 VAL 21 -1.041 24.005 -7.203 154 H GLY 22 H GLY 22 -4.647 27.764 -8.270 155 HA2 GLY 22 2HA GLY 22 -5.835 28.827 -5.791 156 HA3 GLY 22 3HA GLY 22 -4.688 29.795 -6.705 157 H VAL 23 H VAL 23 -7.079 30.897 -6.246 158 HA VAL 23 HA VAL 23 -8.769 30.411 -8.583 159 HB VAL 23 HB VAL 23 -9.868 30.609 -6.388 160 HG11 VAL 23 1HG1 VAL 23 -9.608 32.343 -4.963 161 HG12 VAL 23 2HG1 VAL 23 -8.072 32.525 -5.811 162 HG13 VAL 23 3HG1 VAL 23 -9.453 33.527 -6.259 163 HG21 VAL 23 1HG2 VAL 23 -10.993 31.279 -8.518 164 HG22 VAL 23 2HG2 VAL 23 -11.640 32.061 -7.076 165 HG23 VAL 23 3HG2 VAL 23 -10.565 32.950 -8.155 166 H GLY 24 H GLY 24 -6.630 32.813 -7.198 167 HA2 GLY 24 2HA GLY 24 -6.861 34.347 -9.704 168 HA3 GLY 24 3HA GLY 24 -6.922 35.175 -8.155 169 H GLY 25 H GLY 25 -4.898 33.527 -10.459 170 HA2 GLY 25 2HA GLY 25 -2.571 34.862 -9.359 171 HA3 GLY 25 3HA GLY 25 -2.527 33.107 -9.261 172 H LYS 26 H LYS 26 -0.530 33.987 -10.619 173 HA LYS 26 HA LYS 26 -1.214 34.262 -13.440 174 HB2 LYS 26 2HB LYS 26 0.590 35.632 -12.239 175 HB3 LYS 26 3HB LYS 26 1.563 34.167 -12.276 176 HG2 LYS 26 2HG LYS 26 2.236 34.681 -14.316 177 HG3 LYS 26 3HG LYS 26 0.569 34.577 -14.887 178 HD2 LYS 26 2HD LYS 26 0.532 37.013 -13.727 179 HD3 LYS 26 3HD LYS 26 2.216 36.940 -14.251 180 HE2 LYS 26 2HE LYS 26 0.714 35.968 -16.402 181 HE3 LYS 26 3HE LYS 26 -0.174 37.368 -15.803 182 HZ1 LYS 26 1HZ LYS 26 1.375 38.753 -16.568 183 HZ2 LYS 26 2HZ LYS 26 1.955 37.450 -17.478 184 HZ3 LYS 26 3HZ LYS 26 2.656 37.815 -15.982 185 H SER 27 H SER 27 -2.029 32.171 -13.842 186 HA SER 27 HA SER 27 -1.946 29.968 -14.420 187 HB2 SER 27 2HB SER 27 0.995 30.217 -14.931 188 HB3 SER 27 3HB SER 27 -0.238 29.389 -15.881 189 HG SER 27 HG SER 27 -0.994 31.395 -16.573 190 H LYS 28 H LYS 28 -2.308 29.324 -12.216 191 HA LYS 28 HA LYS 28 0.073 28.146 -10.939 192 HB2 LYS 28 2HB LYS 28 -1.530 29.997 -9.817 193 HB3 LYS 28 3HB LYS 28 -2.393 28.541 -9.340 194 HG2 LYS 28 2HG LYS 28 -1.013 28.606 -7.575 195 HG3 LYS 28 3HG LYS 28 0.131 27.847 -8.685 196 HD2 LYS 28 2HD LYS 28 0.506 30.469 -9.269 197 HD3 LYS 28 3HD LYS 28 0.104 30.563 -7.553 198 HE2 LYS 28 2HE LYS 28 2.014 29.537 -6.916 199 HE3 LYS 28 3HE LYS 28 2.023 28.458 -8.309 200 HZ1 LYS 28 1HZ LYS 28 2.725 31.337 -8.447 201 HZ2 LYS 28 2HZ LYS 28 2.907 30.182 -9.669 202 HZ3 LYS 28 3HZ LYS 28 3.864 30.096 -8.278 203 H LYS 29 H LYS 29 0.048 26.119 -11.803 204 HA LYS 29 HA LYS 29 -2.414 24.540 -11.464 205 HB2 LYS 29 2HB LYS 29 -1.259 22.969 -13.119 206 HB3 LYS 29 3HB LYS 29 -1.859 24.498 -13.749 207 HG2 LYS 29 2HG LYS 29 0.317 25.418 -13.848 208 HG3 LYS 29 3HG LYS 29 0.995 24.093 -12.897 209 HD2 LYS 29 2HD LYS 29 0.175 22.583 -14.816 210 HD3 LYS 29 3HD LYS 29 0.042 24.079 -15.743 211 HE2 LYS 29 2HE LYS 29 2.271 24.286 -15.956 212 HE3 LYS 29 3HE LYS 29 2.577 23.754 -14.304 213 HZ1 LYS 29 1HZ LYS 29 1.716 21.497 -15.521 214 HZ2 LYS 29 2HZ LYS 29 3.338 21.905 -15.260 215 HZ3 LYS 29 3HZ LYS 29 2.610 22.243 -16.750 216 H PHE 30 H PHE 30 -2.318 22.502 -10.512 217 HA PHE 30 HA PHE 30 -0.546 22.186 -8.375 218 HB2 PHE 30 2HB PHE 30 -2.867 20.938 -9.249 219 HB3 PHE 30 3HB PHE 30 -1.656 19.662 -9.315 220 HD1 PHE 30 HD1 PHE 30 -3.131 22.222 -7.076 221 HD2 PHE 30 HD2 PHE 30 -0.978 18.562 -7.375 222 HE1 PHE 30 HE1 PHE 30 -3.349 21.899 -4.646 223 HE2 PHE 30 HE2 PHE 30 -1.194 18.234 -4.946 224 HZ PHE 30 HZ PHE 30 -2.381 19.903 -3.578 225 H GLY 31 H GLY 31 1.160 20.720 -8.008 226 HA2 GLY 31 2HA GLY 31 2.312 19.412 -10.367 227 HA3 GLY 31 3HA GLY 31 3.295 20.586 -9.506 228 H GLU 32 H GLU 32 4.256 18.077 -9.771 229 HA GLU 32 HA GLU 32 3.562 16.276 -7.717 230 HB2 GLU 32 2HB GLU 32 5.779 15.245 -8.171 231 HB3 GLU 32 3HB GLU 32 4.821 15.508 -9.622 232 HG2 GLU 32 2HG GLU 32 6.734 16.348 -10.423 233 HG3 GLU 32 3HG GLU 32 6.226 17.801 -9.563 234 H GLY 33 H GLY 33 6.041 18.807 -7.904 235 HA2 GLY 33 2HA GLY 33 7.295 18.320 -5.454 236 HA3 GLY 33 3HA GLY 33 7.240 19.877 -6.268 237 H ASN 34 H ASN 34 4.564 20.473 -6.194 238 HA ASN 34 HA ASN 34 4.259 21.495 -3.593 239 HB2 ASN 34 2HB ASN 34 2.098 21.137 -5.679 240 HB3 ASN 34 3HB ASN 34 2.075 22.261 -4.325 241 HD21 ASN 34 1HD2 ASN 34 3.408 21.560 -7.450 242 HD22 ASN 34 2HD2 ASN 34 4.088 23.123 -7.736 243 H PHE 35 H PHE 35 2.813 18.700 -5.206 244 HA PHE 35 HA PHE 35 0.966 17.976 -3.253 245 HB2 PHE 35 2HB PHE 35 0.894 16.894 -5.387 246 HB3 PHE 35 3HB PHE 35 2.539 16.292 -5.205 247 HD1 PHE 35 HD1 PHE 35 -0.717 16.135 -3.384 248 HD2 PHE 35 HD2 PHE 35 2.779 14.079 -4.676 249 HE1 PHE 35 HE1 PHE 35 -1.593 14.047 -2.422 250 HE2 PHE 35 HE2 PHE 35 1.909 11.988 -3.715 251 HZ PHE 35 HZ PHE 35 -0.280 11.970 -2.587 252 H ARG 36 H ARG 36 4.398 17.175 -3.544 253 HA ARG 36 HA ARG 36 4.518 15.373 -1.383 254 HB2 ARG 36 2HB ARG 36 6.785 17.151 -2.271 255 HB3 ARG 36 3HB ARG 36 6.882 15.552 -1.544 256 HG2 ARG 36 2HG ARG 36 5.369 15.217 -3.867 257 HG3 ARG 36 3HG ARG 36 6.694 16.294 -4.311 258 HD2 ARG 36 2HD ARG 36 8.189 14.601 -3.066 259 HD3 ARG 36 3HD ARG 36 6.813 13.509 -3.213 260 HE ARG 36 HE ARG 36 7.427 14.641 -5.726 261 HH11 ARG 36 1HH1 ARG 36 8.601 12.309 -3.423 262 HH12 ARG 36 2HH1 ARG 36 9.399 11.337 -4.617 263 HH21 ARG 36 1HH2 ARG 36 8.473 13.372 -7.306 264 HH22 ARG 36 2HH2 ARG 36 9.325 11.944 -6.825 265 H TRP 37 H TRP 37 5.434 18.815 -1.547 266 HA TRP 37 HA TRP 37 6.127 19.196 1.097 267 HB2 TRP 37 2HB TRP 37 6.562 20.971 -0.401 268 HB3 TRP 37 3HB TRP 37 4.881 21.050 -0.924 269 HD1 TRP 37 HD1 TRP 37 7.260 22.425 1.649 270 HE1 TRP 37 HE1 TRP 37 6.029 24.125 3.138 271 HE3 TRP 37 HE3 TRP 37 2.466 21.512 0.127 272 HZ2 TRP 37 HZ2 TRP 37 3.375 24.966 3.606 273 HZ3 TRP 37 HZ3 TRP 37 0.638 22.807 1.146 274 HH2 TRP 37 HH2 TRP 37 1.086 24.498 2.849 275 H ALA 38 H ALA 38 2.949 18.962 -0.337 276 HA ALA 38 HA ALA 38 1.580 19.856 2.042 277 HB1 ALA 38 1HB ALA 38 -0.295 18.592 0.451 278 HB2 ALA 38 2HB ALA 38 0.082 20.315 0.460 279 HB3 ALA 38 3HB ALA 38 0.868 19.247 -0.702 280 H ILE 39 H ILE 39 1.417 16.790 0.221 281 HA ILE 39 HA ILE 39 0.161 15.252 2.118 282 HB ILE 39 HB ILE 39 0.699 14.523 -0.204 283 HG12 ILE 39 2HG1 ILE 39 1.612 12.553 1.900 284 HG13 ILE 39 3HG1 ILE 39 -0.073 12.964 1.605 285 HG21 ILE 39 1HG2 ILE 39 3.378 13.676 0.849 286 HG22 ILE 39 2HG2 ILE 39 2.810 13.718 -0.820 287 HG23 ILE 39 3HG2 ILE 39 3.143 15.224 0.038 288 HD11 ILE 39 1HD1 ILE 39 0.759 10.843 0.543 289 HD12 ILE 39 2HD1 ILE 39 -0.031 11.989 -0.540 290 HD13 ILE 39 3HD1 ILE 39 1.728 11.859 -0.525 291 H ARG 40 H ARG 40 3.530 16.193 1.967 292 HA ARG 40 HA ARG 40 4.391 14.389 4.025 293 HB2 ARG 40 2HB ARG 40 5.684 16.793 2.736 294 HB3 ARG 40 3HB ARG 40 6.466 15.838 3.989 295 HG2 ARG 40 2HG ARG 40 5.454 14.182 1.840 296 HG3 ARG 40 3HG ARG 40 6.588 15.406 1.264 297 HD2 ARG 40 2HD ARG 40 8.173 14.674 3.041 298 HD3 ARG 40 3HD ARG 40 7.058 13.367 3.433 299 HE ARG 40 HE ARG 40 7.492 13.041 0.782 300 HH11 ARG 40 1HH1 ARG 40 9.596 13.369 3.537 301 HH12 ARG 40 2HH1 ARG 40 10.858 12.397 2.853 302 HH21 ARG 40 1HH2 ARG 40 9.146 11.760 -0.129 303 HH22 ARG 40 2HH2 ARG 40 10.600 11.484 0.768 304 H MET 41 H MET 41 4.018 17.938 3.896 305 HA MET 41 HA MET 41 4.511 18.482 6.565 306 HB2 MET 41 2HB MET 41 2.869 19.845 4.462 307 HB3 MET 41 3HB MET 41 2.841 20.448 6.114 308 HG2 MET 41 2HG MET 41 5.503 19.963 4.940 309 HG3 MET 41 3HG MET 41 4.569 21.293 4.260 310 HE1 MET 41 1HE MET 41 6.943 22.006 4.943 311 HE2 MET 41 2HE MET 41 6.816 23.378 6.043 312 HE3 MET 41 3HE MET 41 7.558 21.875 6.591 313 H ALA 42 H ALA 42 1.477 17.553 5.003 314 HA ALA 42 HA ALA 42 -0.121 17.819 7.344 315 HB1 ALA 42 1HB ALA 42 -0.777 17.681 4.798 316 HB2 ALA 42 2HB ALA 42 -0.906 15.958 5.158 317 HB3 ALA 42 3HB ALA 42 -1.879 17.122 6.057 318 H ASN 43 H ASN 43 1.584 15.126 5.820 319 HA ASN 43 HA ASN 43 0.561 13.065 7.429 320 HB2 ASN 43 2HB ASN 43 2.918 13.418 5.658 321 HB3 ASN 43 3HB ASN 43 3.002 12.106 6.831 322 HD21 ASN 43 1HD2 ASN 43 2.878 11.942 3.954 323 HD22 ASN 43 2HD2 ASN 43 1.459 11.033 3.572 324 H VAL 44 H VAL 44 3.629 14.860 7.721 325 HA VAL 44 HA VAL 44 4.458 13.694 10.131 326 HB VAL 44 HB VAL 44 5.083 16.487 9.164 327 HG11 VAL 44 1HG1 VAL 44 6.062 14.806 11.375 328 HG12 VAL 44 2HG1 VAL 44 7.305 15.622 10.425 329 HG13 VAL 44 3HG1 VAL 44 6.032 16.561 11.208 330 HG21 VAL 44 1HG2 VAL 44 7.213 14.742 8.625 331 HG22 VAL 44 2HG2 VAL 44 5.756 13.926 8.057 332 HG23 VAL 44 3HG2 VAL 44 6.152 15.538 7.462 333 H SER 45 H SER 45 2.418 16.493 9.477 334 HA SER 45 HA SER 45 2.294 17.489 12.109 335 HB2 SER 45 2HB SER 45 0.593 17.790 9.662 336 HB3 SER 45 3HB SER 45 -0.004 18.398 11.205 337 HG SER 45 HG SER 45 1.122 20.047 10.248 338 H THR 46 H THR 46 0.730 14.826 10.550 339 HA THR 46 HA THR 46 -1.223 14.542 12.704 340 HB THR 46 HB THR 46 -2.216 12.765 11.387 341 HG1 THR 46 HG1 THR 46 -1.263 12.033 9.507 342 HG21 THR 46 1HG2 THR 46 -2.051 14.339 9.072 343 HG22 THR 46 2HG2 THR 46 -1.847 15.453 10.423 344 HG23 THR 46 3HG2 THR 46 -3.275 14.422 10.337 345 H GLY 47 H GLY 47 1.732 14.112 13.017 346 HA2 GLY 47 2HA GLY 47 3.159 12.629 14.038 347 HA3 GLY 47 3HA GLY 47 1.711 12.028 14.833 348 H ARG 48 H ARG 48 2.072 11.882 11.371 349 HA ARG 48 HA ARG 48 2.262 8.952 11.581 350 HB2 ARG 48 2HB ARG 48 1.019 10.737 9.494 351 HB3 ARG 48 3HB ARG 48 1.335 9.031 9.206 352 HG2 ARG 48 2HG ARG 48 -0.012 9.086 11.633 353 HG3 ARG 48 3HG ARG 48 -0.830 10.291 10.636 354 HD2 ARG 48 2HD ARG 48 -1.910 8.194 10.274 355 HD3 ARG 48 3HD ARG 48 -0.977 8.575 8.826 356 HE ARG 48 HE ARG 48 0.356 6.751 9.237 357 HH11 ARG 48 1HH1 ARG 48 -1.577 7.436 12.050 358 HH12 ARG 48 2HH1 ARG 48 -1.144 5.970 12.866 359 HH21 ARG 48 1HH2 ARG 48 0.935 4.818 10.300 360 HH22 ARG 48 2HH2 ARG 48 0.287 4.483 11.870 361 H GLU 49 H GLU 49 3.726 7.820 10.328 362 HA GLU 49 HA GLU 49 6.210 8.925 9.855 363 HB2 GLU 49 2HB GLU 49 4.856 6.414 9.177 364 HB3 GLU 49 3HB GLU 49 6.135 6.851 8.053 365 HG2 GLU 49 2HG GLU 49 7.497 7.251 10.261 366 HG3 GLU 49 3HG GLU 49 6.300 6.148 10.935 367 HA PRO 50 HA PRO 50 6.102 11.067 6.028 368 HB2 PRO 50 2HB PRO 50 8.466 10.363 4.893 369 HB3 PRO 50 3HB PRO 50 8.353 11.448 6.285 370 HG2 PRO 50 2HG PRO 50 8.989 8.524 6.209 371 HG3 PRO 50 3HG PRO 50 9.755 9.811 7.159 372 HD2 PRO 50 2HD PRO 50 7.924 8.115 8.211 373 HD3 PRO 50 3HD PRO 50 8.088 9.798 8.751 374 H GLY 51 H GLY 51 6.473 7.614 5.995 375 HA2 GLY 51 2HA GLY 51 6.074 7.409 3.122 376 HA3 GLY 51 3HA GLY 51 6.282 6.074 4.245 377 H ASP 52 H ASP 52 3.938 8.750 4.117 378 HA ASP 52 HA ASP 52 1.794 6.763 4.382 379 HB2 ASP 52 2HB ASP 52 2.264 9.330 5.563 380 HB3 ASP 52 3HB ASP 52 0.765 9.392 4.639 381 H ILE 53 H ILE 53 1.460 6.120 2.284 382 HA ILE 53 HA ILE 53 0.165 8.094 0.566 383 HB ILE 53 HB ILE 53 2.338 6.281 -0.487 384 HG12 ILE 53 2HG1 ILE 53 2.368 9.271 -0.021 385 HG13 ILE 53 3HG1 ILE 53 3.280 8.078 0.897 386 HG21 ILE 53 1HG2 ILE 53 0.916 8.544 -1.873 387 HG22 ILE 53 2HG2 ILE 53 2.021 7.367 -2.581 388 HG23 ILE 53 3HG2 ILE 53 0.433 6.854 -2.014 389 HD11 ILE 53 1HD1 ILE 53 4.946 8.317 -0.530 390 HD12 ILE 53 2HD1 ILE 53 3.917 7.675 -1.810 391 HD13 ILE 53 3HD1 ILE 53 3.980 9.412 -1.519 392 HA PRO 54 HA PRO 54 -2.032 4.008 0.787 393 HB2 PRO 54 2HB PRO 54 -4.482 5.088 1.236 394 HB3 PRO 54 3HB PRO 54 -3.339 4.724 2.535 395 HG2 PRO 54 2HG PRO 54 -3.919 7.341 1.202 396 HG3 PRO 54 3HG PRO 54 -3.687 6.990 2.925 397 HD2 PRO 54 2HD PRO 54 -1.735 8.054 1.377 398 HD3 PRO 54 3HD PRO 54 -1.390 6.966 2.738 399 H GLU 55 H GLU 55 -4.409 3.717 -0.319 400 HA GLU 55 HA GLU 55 -4.661 5.250 -2.761 401 HB2 GLU 55 2HB GLU 55 -2.967 3.154 -2.919 402 HB3 GLU 55 3HB GLU 55 -4.486 2.338 -3.265 403 HG2 GLU 55 2HG GLU 55 -4.889 4.111 -5.019 404 HG3 GLU 55 3HG GLU 55 -3.211 4.593 -4.778 405 H THR 56 H THR 56 -6.413 5.084 -0.668 406 HA THR 56 HA THR 56 -8.694 3.788 -1.948 407 HB THR 56 HB THR 56 -9.461 2.659 0.001 408 HG1 THR 56 HG1 THR 56 -8.426 2.863 1.996 409 HG21 THR 56 1HG2 THR 56 -7.645 1.068 0.467 410 HG22 THR 56 2HG2 THR 56 -6.495 2.169 -0.288 411 HG23 THR 56 3HG2 THR 56 -7.771 1.429 -1.254 412 H LEU 57 H LEU 57 -10.540 4.942 -1.783 413 HA LEU 57 HA LEU 57 -10.538 7.610 -1.082 414 HB2 LEU 57 2HB LEU 57 -12.290 6.014 -2.314 415 HB3 LEU 57 3HB LEU 57 -13.087 6.138 -0.747 416 HG LEU 57 HG LEU 57 -14.011 7.759 -2.279 417 HD11 LEU 57 1HD1 LEU 57 -12.331 9.476 -0.535 418 HD12 LEU 57 2HD1 LEU 57 -13.363 8.270 0.232 419 HD13 LEU 57 3HD1 LEU 57 -14.072 9.502 -0.813 420 HD21 LEU 57 1HD2 LEU 57 -12.101 7.974 -3.782 421 HD22 LEU 57 2HD2 LEU 57 -11.199 8.824 -2.526 422 HD23 LEU 57 3HD2 LEU 57 -12.649 9.554 -3.220 423 H ASP 58 H ASP 58 -11.150 4.805 0.914 424 HA ASP 58 HA ASP 58 -12.294 6.151 3.123 425 HB2 ASP 58 2HB ASP 58 -10.844 3.515 2.876 426 HB3 ASP 58 3HB ASP 58 -11.531 4.084 4.394 427 H GLN 59 H GLN 59 -8.960 5.195 2.374 428 HA GLN 59 HA GLN 59 -7.794 6.074 4.769 429 HB2 GLN 59 2HB GLN 59 -6.871 5.252 2.116 430 HB3 GLN 59 3HB GLN 59 -5.823 6.441 2.878 431 HG2 GLN 59 2HG GLN 59 -4.859 4.674 3.834 432 HG3 GLN 59 3HG GLN 59 -6.242 4.711 4.926 433 HE21 GLN 59 1HE2 GLN 59 -5.051 3.303 1.923 434 HE22 GLN 59 2HE2 GLN 59 -5.953 1.834 2.040 435 H LEU 60 H LEU 60 -8.206 7.734 1.655 436 HA LEU 60 HA LEU 60 -6.921 10.121 2.316 437 HB2 LEU 60 2HB LEU 60 -9.050 9.369 0.367 438 HB3 LEU 60 3HB LEU 60 -8.663 11.072 0.604 439 HG LEU 60 HG LEU 60 -7.515 10.097 -1.340 440 HD11 LEU 60 1HD1 LEU 60 -5.281 10.579 0.524 441 HD12 LEU 60 2HD1 LEU 60 -6.520 11.830 0.456 442 HD13 LEU 60 3HD1 LEU 60 -5.671 11.353 -1.013 443 HD21 LEU 60 1HD2 LEU 60 -5.686 8.494 -0.971 444 HD22 LEU 60 2HD2 LEU 60 -7.262 7.817 -0.559 445 HD23 LEU 60 3HD2 LEU 60 -6.169 8.351 0.719 446 H ARG 61 H ARG 61 -10.364 9.265 2.586 447 HA ARG 61 HA ARG 61 -11.330 11.668 3.565 448 HB2 ARG 61 2HB ARG 61 -12.739 9.743 2.898 449 HB3 ARG 61 3HB ARG 61 -12.242 8.896 4.357 450 HG2 ARG 61 2HG ARG 61 -13.178 11.305 5.310 451 HG3 ARG 61 3HG ARG 61 -14.279 10.925 3.984 452 HD2 ARG 61 2HD ARG 61 -15.347 9.733 5.572 453 HD3 ARG 61 3HD ARG 61 -14.133 8.518 5.174 454 HE ARG 61 HE ARG 61 -13.126 10.215 7.175 455 HH11 ARG 61 1HH1 ARG 61 -15.517 7.728 6.707 456 HH12 ARG 61 2HH1 ARG 61 -15.463 7.185 8.351 457 HH21 ARG 61 1HH2 ARG 61 -13.046 9.509 9.343 458 HH22 ARG 61 2HH2 ARG 61 -14.058 8.199 9.850 459 H LEU 62 H LEU 62 -9.891 8.959 5.337 460 HA LEU 62 HA LEU 62 -10.309 9.944 7.930 461 HB2 LEU 62 2HB LEU 62 -9.194 7.692 6.826 462 HB3 LEU 62 3HB LEU 62 -7.804 8.489 7.558 463 HG LEU 62 HG LEU 62 -8.795 6.825 9.051 464 HD11 LEU 62 1HD1 LEU 62 -9.572 9.236 10.497 465 HD12 LEU 62 2HD1 LEU 62 -8.011 9.369 9.687 466 HD13 LEU 62 3HD1 LEU 62 -8.298 8.065 10.839 467 HD21 LEU 62 1HD2 LEU 62 -10.993 6.951 9.868 468 HD22 LEU 62 2HD2 LEU 62 -11.140 7.193 8.127 469 HD23 LEU 62 3HD2 LEU 62 -11.232 8.574 9.221 470 H VAL 63 H VAL 63 -7.675 10.460 5.633 471 HA VAL 63 HA VAL 63 -5.961 11.872 7.373 472 HB VAL 63 HB VAL 63 -6.156 12.239 4.383 473 HG11 VAL 63 1HG1 VAL 63 -4.767 13.883 5.527 474 HG12 VAL 63 2HG1 VAL 63 -3.859 12.587 6.306 475 HG13 VAL 63 3HG1 VAL 63 -3.779 12.792 4.556 476 HG21 VAL 63 1HG2 VAL 63 -5.398 9.917 5.939 477 HG22 VAL 63 2HG2 VAL 63 -5.641 10.078 4.200 478 HG23 VAL 63 3HG2 VAL 63 -4.078 10.480 4.913 479 H ILE 64 H ILE 64 -8.476 12.957 5.124 480 HA ILE 64 HA ILE 64 -8.089 15.707 5.350 481 HB ILE 64 HB ILE 64 -10.686 14.219 4.941 482 HG12 ILE 64 2HG1 ILE 64 -8.922 13.736 3.264 483 HG13 ILE 64 3HG1 ILE 64 -10.298 14.587 2.570 484 HG21 ILE 64 1HG2 ILE 64 -11.490 16.319 3.943 485 HG22 ILE 64 2HG2 ILE 64 -11.108 16.494 5.655 486 HG23 ILE 64 3HG2 ILE 64 -9.992 17.109 4.436 487 HD11 ILE 64 1HD1 ILE 64 -9.024 16.688 2.709 488 HD12 ILE 64 2HD1 ILE 64 -7.638 15.778 3.310 489 HD13 ILE 64 3HD1 ILE 64 -8.253 15.479 1.684 490 H CYS 65 H CYS 65 -10.176 13.560 7.267 491 HA CYS 65 HA CYS 65 -11.292 15.517 8.922 492 HB2 CYS 65 2HB CYS 65 -12.236 13.301 8.853 493 HB3 CYS 65 3HB CYS 65 -10.736 12.592 9.440 494 HG CYS 65 HG CYS 65 -10.952 13.439 12.007 495 H ASP 66 H ASP 66 -8.460 13.433 9.475 496 HA ASP 66 HA ASP 66 -7.756 14.427 11.986 497 HB2 ASP 66 2HB ASP 66 -5.790 13.481 9.897 498 HB3 ASP 66 3HB ASP 66 -5.617 13.409 11.648 499 H LEU 67 H LEU 67 -6.867 15.544 8.750 500 HA LEU 67 HA LEU 67 -4.987 17.478 9.513 501 HB2 LEU 67 2HB LEU 67 -6.444 16.740 7.125 502 HB3 LEU 67 3HB LEU 67 -6.263 18.488 7.255 503 HG LEU 67 HG LEU 67 -3.835 16.821 7.647 504 HD11 LEU 67 1HD1 LEU 67 -3.952 17.382 4.905 505 HD12 LEU 67 2HD1 LEU 67 -5.485 16.611 5.310 506 HD13 LEU 67 3HD1 LEU 67 -3.963 15.801 5.684 507 HD21 LEU 67 1HD2 LEU 67 -4.549 19.536 6.634 508 HD22 LEU 67 2HD2 LEU 67 -3.028 18.794 6.137 509 HD23 LEU 67 3HD2 LEU 67 -3.360 19.064 7.849 510 H GLN 68 H GLN 68 -8.494 17.591 9.286 511 HA GLN 68 HA GLN 68 -8.787 20.384 9.575 512 HB2 GLN 68 2HB GLN 68 -10.546 18.722 8.810 513 HB3 GLN 68 3HB GLN 68 -10.763 18.304 10.504 514 HG2 GLN 68 2HG GLN 68 -12.454 19.853 9.975 515 HG3 GLN 68 3HG GLN 68 -11.258 20.728 10.931 516 HE21 GLN 68 1HE2 GLN 68 -12.274 20.074 7.615 517 HE22 GLN 68 2HE2 GLN 68 -11.773 21.597 6.970 518 H GLU 69 H GLU 69 -8.955 17.743 11.955 519 HA GLU 69 HA GLU 69 -9.486 19.264 14.215 520 HB2 GLU 69 2HB GLU 69 -8.220 16.620 13.718 521 HB3 GLU 69 3HB GLU 69 -8.003 17.332 15.310 522 HG2 GLU 69 2HG GLU 69 -10.283 17.281 15.779 523 HG3 GLU 69 3HG GLU 69 -10.721 17.091 14.082 524 H ARG 70 H ARG 70 -6.360 18.409 12.775 525 HA ARG 70 HA ARG 70 -4.813 19.744 14.762 526 HB2 ARG 70 2HB ARG 70 -4.001 18.998 11.948 527 HB3 ARG 70 3HB ARG 70 -2.924 19.354 13.290 528 HG2 ARG 70 2HG ARG 70 -4.875 17.070 13.327 529 HG3 ARG 70 3HG ARG 70 -3.224 16.921 12.722 530 HD2 ARG 70 2HD ARG 70 -2.513 16.599 14.798 531 HD3 ARG 70 3HD ARG 70 -3.079 18.212 15.227 532 HE ARG 70 HE ARG 70 -4.817 17.249 16.348 533 HH11 ARG 70 1HH1 ARG 70 -3.505 14.927 14.110 534 HH12 ARG 70 2HH1 ARG 70 -4.498 13.625 14.676 535 HH21 ARG 70 1HH2 ARG 70 -6.129 15.543 17.102 536 HH22 ARG 70 2HH2 ARG 70 -5.991 13.977 16.377 537 H ARG 71 H ARG 71 -6.040 20.630 11.573 538 HA ARG 71 HA ARG 71 -4.662 23.021 11.208 539 HB2 ARG 71 2HB ARG 71 -5.911 22.102 9.390 540 HB3 ARG 71 3HB ARG 71 -7.409 22.161 10.309 541 HG2 ARG 71 2HG ARG 71 -6.165 24.771 10.053 542 HG3 ARG 71 3HG ARG 71 -6.531 24.032 8.492 543 HD2 ARG 71 2HD ARG 71 -8.841 23.665 9.214 544 HD3 ARG 71 3HD ARG 71 -8.472 24.407 10.770 545 HE ARG 71 HE ARG 71 -8.682 26.457 9.790 546 HH11 ARG 71 1HH1 ARG 71 -8.226 24.065 7.302 547 HH12 ARG 71 2HH1 ARG 71 -8.503 25.176 6.001 548 HH21 ARG 71 1HH2 ARG 71 -9.049 27.929 8.086 549 HH22 ARG 71 2HH2 ARG 71 -8.970 27.373 6.448 550 H GLU 72 H GLU 72 -7.449 22.279 13.180 551 HA GLU 72 HA GLU 72 -8.087 25.039 13.711 552 HB2 GLU 72 2HB GLU 72 -9.831 23.300 13.717 553 HB3 GLU 72 3HB GLU 72 -9.042 22.518 15.080 554 HG2 GLU 72 2HG GLU 72 -10.611 23.689 16.208 555 HG3 GLU 72 3HG GLU 72 -9.347 24.917 16.156 556 H LYS 73 H LYS 73 -6.987 22.352 15.787 557 HA LYS 73 HA LYS 73 -6.411 23.819 18.057 558 HB2 LYS 73 2HB LYS 73 -6.402 21.335 17.898 559 HB3 LYS 73 3HB LYS 73 -4.865 21.424 17.047 560 HG2 LYS 73 2HG LYS 73 -3.804 21.398 18.985 561 HG3 LYS 73 3HG LYS 73 -4.590 22.915 19.432 562 HD2 LYS 73 2HD LYS 73 -6.009 20.292 19.748 563 HD3 LYS 73 3HD LYS 73 -4.875 20.862 20.975 564 HE2 LYS 73 2HE LYS 73 -7.237 22.445 19.969 565 HE3 LYS 73 3HE LYS 73 -7.253 21.456 21.429 566 HZ1 LYS 73 1HZ LYS 73 -6.777 23.568 22.205 567 HZ2 LYS 73 2HZ LYS 73 -5.761 23.946 20.906 568 HZ3 LYS 73 3HZ LYS 73 -5.241 22.867 22.100 569 H PHE 74 H PHE 74 -4.586 23.513 15.103 570 HA PHE 74 HA PHE 74 -2.285 24.886 16.258 571 HB2 PHE 74 2HB PHE 74 -2.344 22.893 14.473 572 HB3 PHE 74 3HB PHE 74 -2.401 24.252 13.355 573 HD1 PHE 74 HD1 PHE 74 -0.571 25.974 13.451 574 HD2 PHE 74 HD2 PHE 74 -0.342 22.252 15.504 575 HE1 PHE 74 HE1 PHE 74 1.867 26.234 13.642 576 HE2 PHE 74 HE2 PHE 74 2.097 22.507 15.699 577 HZ PHE 74 HZ PHE 74 3.206 24.500 14.768 578 H GLY 75 H GLY 75 -5.049 25.490 14.260 579 HA2 GLY 75 2HA GLY 75 -5.887 27.713 13.986 580 HA3 GLY 75 3HA GLY 75 -4.236 28.309 14.078 581 H SER 76 H SER 76 -5.824 29.231 12.092 582 HA SER 76 HA SER 76 -5.450 27.666 9.692 583 HB2 SER 76 2HB SER 76 -7.473 28.978 9.866 584 HB3 SER 76 3HB SER 76 -6.544 30.452 10.142 585 HG SER 76 HG SER 76 -6.467 28.882 7.777 586 H SER 77 H SER 77 -3.576 27.596 8.664 587 HA SER 77 HA SER 77 -1.996 30.063 8.431 588 HB2 SER 77 2HB SER 77 0.034 28.991 8.974 589 HB3 SER 77 3HB SER 77 -1.102 28.411 10.191 590 HG SER 77 HG SER 77 -1.120 26.462 9.276 591 H LYS 78 H LYS 78 -0.418 29.982 6.642 592 HA LYS 78 HA LYS 78 -1.633 29.187 4.238 593 HB2 LYS 78 2HB LYS 78 1.311 29.742 4.595 594 HB3 LYS 78 3HB LYS 78 0.342 29.963 3.143 595 HG2 LYS 78 2HG LYS 78 0.229 32.100 3.755 596 HG3 LYS 78 3HG LYS 78 -0.948 31.558 4.955 597 HD2 LYS 78 2HD LYS 78 0.470 32.592 6.383 598 HD3 LYS 78 3HD LYS 78 1.329 31.054 6.289 599 HE2 LYS 78 2HE LYS 78 2.706 31.999 4.452 600 HE3 LYS 78 3HE LYS 78 1.905 33.550 4.699 601 HZ1 LYS 78 1HZ LYS 78 2.858 32.629 7.170 602 HZ2 LYS 78 2HZ LYS 78 3.340 34.000 6.304 603 HZ3 LYS 78 3HZ LYS 78 4.122 32.521 6.050 604 H GLU 79 H GLU 79 0.803 27.651 6.255 605 HA GLU 79 HA GLU 79 1.551 25.631 4.421 606 HB2 GLU 79 2HB GLU 79 1.656 25.607 7.442 607 HB3 GLU 79 3HB GLU 79 2.494 24.483 6.383 608 HG2 GLU 79 2HG GLU 79 4.188 25.880 6.115 609 HG3 GLU 79 3HG GLU 79 3.108 27.201 5.670 610 H ILE 80 H ILE 80 -0.576 25.467 7.282 611 HA ILE 80 HA ILE 80 -1.510 22.857 6.750 612 HB ILE 80 HB ILE 80 -2.839 25.042 8.358 613 HG12 ILE 80 2HG1 ILE 80 -1.093 22.758 9.298 614 HG13 ILE 80 3HG1 ILE 80 -0.522 24.407 9.074 615 HG21 ILE 80 1HG2 ILE 80 -3.525 22.226 7.820 616 HG22 ILE 80 2HG2 ILE 80 -3.641 22.742 9.501 617 HG23 ILE 80 3HG2 ILE 80 -4.560 23.585 8.255 618 HD11 ILE 80 1HD1 ILE 80 -1.445 25.115 10.988 619 HD12 ILE 80 2HD1 ILE 80 -2.895 24.134 10.775 620 HD13 ILE 80 3HD1 ILE 80 -1.420 23.403 11.408 621 H ASP 81 H ASP 81 -2.427 25.967 5.541 622 HA ASP 81 HA ASP 81 -5.055 25.367 4.703 623 HB2 ASP 81 2HB ASP 81 -4.367 27.663 4.821 624 HB3 ASP 81 3HB ASP 81 -3.039 27.380 3.699 625 H MET 82 H MET 82 -2.040 25.510 2.798 626 HA MET 82 HA MET 82 -3.191 24.373 0.477 627 HB2 MET 82 2HB MET 82 -0.364 24.807 1.399 628 HB3 MET 82 3HB MET 82 -0.703 23.941 -0.093 629 HG2 MET 82 2HG MET 82 -2.227 26.334 -0.096 630 HG3 MET 82 3HG MET 82 -0.567 26.732 0.344 631 HE1 MET 82 1HE MET 82 0.674 27.743 -1.351 632 HE2 MET 82 2HE MET 82 0.505 27.521 -3.093 633 HE3 MET 82 3HE MET 82 -0.812 28.239 -2.163 634 H ALA 83 H ALA 83 -1.838 23.017 3.363 635 HA ALA 83 HA ALA 83 -1.176 20.451 2.421 636 HB1 ALA 83 1HB ALA 83 -0.535 21.454 4.636 637 HB2 ALA 83 2HB ALA 83 -2.171 21.090 5.189 638 HB3 ALA 83 3HB ALA 83 -1.095 19.782 4.697 639 H ILE 84 H ILE 84 -4.102 21.513 4.171 640 HA ILE 84 HA ILE 84 -5.501 19.092 3.841 641 HB ILE 84 HB ILE 84 -6.166 20.691 5.540 642 HG12 ILE 84 2HG1 ILE 84 -8.465 20.629 3.604 643 HG13 ILE 84 3HG1 ILE 84 -7.842 19.136 4.301 644 HG21 ILE 84 1HG2 ILE 84 -7.078 22.483 3.294 645 HG22 ILE 84 2HG2 ILE 84 -7.186 22.810 5.024 646 HG23 ILE 84 3HG2 ILE 84 -5.609 22.725 4.239 647 HD11 ILE 84 1HD1 ILE 84 -8.325 21.179 6.302 648 HD12 ILE 84 2HD1 ILE 84 -9.772 20.757 5.386 649 HD13 ILE 84 3HD1 ILE 84 -8.868 19.503 6.233 650 H VAL 85 H VAL 85 -5.392 22.044 1.908 651 HA VAL 85 HA VAL 85 -7.484 21.399 0.134 652 HB VAL 85 HB VAL 85 -5.054 23.136 -0.317 653 HG11 VAL 85 1HG1 VAL 85 -5.771 22.768 -2.472 654 HG12 VAL 85 2HG1 VAL 85 -7.458 22.568 -1.991 655 HG13 VAL 85 3HG1 VAL 85 -6.735 24.176 -2.026 656 HG21 VAL 85 1HG2 VAL 85 -7.747 24.284 0.070 657 HG22 VAL 85 2HG2 VAL 85 -6.992 23.560 1.490 658 HG23 VAL 85 3HG2 VAL 85 -6.175 24.863 0.625 659 H THR 86 H THR 86 -4.161 20.400 0.305 660 HA THR 86 HA THR 86 -4.006 19.427 -2.390 661 HB THR 86 HB THR 86 -2.247 18.943 0.020 662 HG1 THR 86 HG1 THR 86 -1.567 20.847 -0.611 663 HG21 THR 86 1HG2 THR 86 -0.704 18.290 -2.107 664 HG22 THR 86 2HG2 THR 86 -2.271 17.688 -2.647 665 HG23 THR 86 3HG2 THR 86 -1.581 17.114 -1.130 666 H LEU 87 H LEU 87 -4.139 17.805 0.786 667 HA LEU 87 HA LEU 87 -4.358 15.194 -0.131 668 HB2 LEU 87 2HB LEU 87 -4.568 16.551 2.338 669 HB3 LEU 87 3HB LEU 87 -5.990 15.520 2.191 670 HG LEU 87 HG LEU 87 -4.088 14.481 3.413 671 HD11 LEU 87 1HD1 LEU 87 -4.360 12.344 2.444 672 HD12 LEU 87 2HD1 LEU 87 -4.688 13.025 0.851 673 HD13 LEU 87 3HD1 LEU 87 -5.867 13.211 2.149 674 HD21 LEU 87 1HD2 LEU 87 -2.608 13.811 1.001 675 HD22 LEU 87 2HD2 LEU 87 -2.025 14.348 2.577 676 HD23 LEU 87 3HD2 LEU 87 -2.554 15.533 1.380 677 H LYS 88 H LYS 88 -6.783 17.696 0.132 678 HA LYS 88 HA LYS 88 -9.032 15.976 -0.246 679 HB2 LYS 88 2HB LYS 88 -8.566 18.772 0.228 680 HB3 LYS 88 3HB LYS 88 -9.689 18.584 -1.112 681 HG2 LYS 88 2HG LYS 88 -11.346 17.916 0.222 682 HG3 LYS 88 3HG LYS 88 -10.292 16.849 1.152 683 HD2 LYS 88 2HD LYS 88 -9.593 18.599 2.564 684 HD3 LYS 88 3HD LYS 88 -10.231 19.837 1.479 685 HE2 LYS 88 2HE LYS 88 -12.437 19.411 2.094 686 HE3 LYS 88 3HE LYS 88 -12.048 17.817 2.739 687 HZ1 LYS 88 1HZ LYS 88 -11.214 20.401 3.942 688 HZ2 LYS 88 2HZ LYS 88 -10.889 18.864 4.568 689 HZ3 LYS 88 3HZ LYS 88 -12.483 19.428 4.496 690 H VAL 89 H VAL 89 -7.705 18.500 -2.394 691 HA VAL 89 HA VAL 89 -9.066 17.731 -4.691 692 HB VAL 89 HB VAL 89 -7.803 19.864 -4.412 693 HG11 VAL 89 1HG1 VAL 89 -5.456 19.973 -4.709 694 HG12 VAL 89 2HG1 VAL 89 -5.744 18.716 -3.505 695 HG13 VAL 89 3HG1 VAL 89 -5.364 18.273 -5.169 696 HG21 VAL 89 1HG2 VAL 89 -7.638 20.159 -6.659 697 HG22 VAL 89 2HG2 VAL 89 -6.723 18.671 -6.902 698 HG23 VAL 89 3HG2 VAL 89 -8.469 18.602 -6.664 699 H PHE 90 H PHE 90 -6.282 16.334 -3.184 700 HA PHE 90 HA PHE 90 -5.390 14.886 -5.498 701 HB2 PHE 90 2HB PHE 90 -3.796 15.488 -3.755 702 HB3 PHE 90 3HB PHE 90 -4.712 14.562 -2.568 703 HD1 PHE 90 HD1 PHE 90 -4.147 12.362 -2.148 704 HD2 PHE 90 HD2 PHE 90 -2.889 14.173 -5.788 705 HE1 PHE 90 HE1 PHE 90 -2.812 10.364 -2.677 706 HE2 PHE 90 HE2 PHE 90 -1.553 12.177 -6.323 707 HZ PHE 90 HZ PHE 90 -1.514 10.269 -4.767 708 H ALA 91 H ALA 91 -7.363 14.194 -2.662 709 HA ALA 91 HA ALA 91 -7.624 11.404 -3.162 710 HB1 ALA 91 1HB ALA 91 -9.212 11.381 -1.408 711 HB2 ALA 91 2HB ALA 91 -7.991 12.572 -0.955 712 HB3 ALA 91 3HB ALA 91 -9.547 13.103 -1.592 713 H VAL 92 H VAL 92 -9.681 14.213 -3.853 714 HA VAL 92 HA VAL 92 -11.775 12.716 -5.056 715 HB VAL 92 HB VAL 92 -11.127 15.625 -5.535 716 HG11 VAL 92 1HG1 VAL 92 -13.866 15.278 -5.487 717 HG12 VAL 92 2HG1 VAL 92 -12.863 15.460 -6.927 718 HG13 VAL 92 3HG1 VAL 92 -13.280 13.849 -6.340 719 HG21 VAL 92 1HG2 VAL 92 -12.584 16.140 -3.663 720 HG22 VAL 92 2HG2 VAL 92 -12.842 14.421 -3.362 721 HG23 VAL 92 3HG2 VAL 92 -11.243 15.126 -3.127 722 H ALA 93 H ALA 93 -9.197 14.744 -6.451 723 HA ALA 93 HA ALA 93 -9.809 13.996 -9.137 724 HB1 ALA 93 1HB ALA 93 -7.238 15.205 -8.139 725 HB2 ALA 93 2HB ALA 93 -7.909 15.285 -9.769 726 HB3 ALA 93 3HB ALA 93 -8.704 16.138 -8.446 727 H GLY 94 H GLY 94 -8.162 12.449 -6.618 728 HA2 GLY 94 2HA GLY 94 -6.535 10.845 -8.467 729 HA3 GLY 94 3HA GLY 94 -6.336 10.911 -6.722 730 H LEU 95 H LEU 95 -8.050 9.920 -5.406 731 HA LEU 95 HA LEU 95 -8.579 7.291 -6.211 732 HB2 LEU 95 2HB LEU 95 -9.635 9.019 -4.003 733 HB3 LEU 95 3HB LEU 95 -10.248 7.385 -4.247 734 HG LEU 95 HG LEU 95 -8.584 7.361 -2.513 735 HD11 LEU 95 1HD1 LEU 95 -7.890 5.390 -3.252 736 HD12 LEU 95 2HD1 LEU 95 -6.800 6.165 -4.400 737 HD13 LEU 95 3HD1 LEU 95 -8.465 5.819 -4.863 738 HD21 LEU 95 1HD2 LEU 95 -6.659 8.510 -4.530 739 HD22 LEU 95 2HD2 LEU 95 -6.311 8.086 -2.854 740 HD23 LEU 95 3HD2 LEU 95 -7.405 9.421 -3.218 741 H LEU 96 H LEU 96 -10.753 10.099 -6.001 742 HA LEU 96 HA LEU 96 -12.968 8.654 -7.124 743 HB2 LEU 96 2HB LEU 96 -12.650 10.999 -5.674 744 HB3 LEU 96 3HB LEU 96 -13.174 11.542 -7.266 745 HG LEU 96 HG LEU 96 -15.140 10.017 -7.062 746 HD11 LEU 96 1HD1 LEU 96 -13.724 8.884 -5.005 747 HD12 LEU 96 2HD1 LEU 96 -15.436 8.630 -5.339 748 HD13 LEU 96 3HD1 LEU 96 -14.939 9.844 -4.160 749 HD21 LEU 96 1HD2 LEU 96 -15.574 12.280 -6.636 750 HD22 LEU 96 2HD2 LEU 96 -14.693 12.254 -5.109 751 HD23 LEU 96 3HD2 LEU 96 -16.247 11.430 -5.244 752 H ASN 97 H ASN 97 -10.204 9.924 -8.439 753 HA ASN 97 HA ASN 97 -9.537 10.532 -10.532 754 HB2 ASN 97 2HB ASN 97 -10.749 8.157 -10.739 755 HB3 ASN 97 3HB ASN 97 -11.831 9.092 -11.767 756 HD21 ASN 97 1HD2 ASN 97 -8.324 8.959 -11.216 757 HD22 ASN 97 2HD2 ASN 97 -7.898 8.827 -12.886 758 H MET 98 H MET 98 -11.447 12.285 -9.204 759 HA MET 98 HA MET 98 -13.328 13.235 -11.130 760 HB2 MET 98 2HB MET 98 -12.351 14.139 -8.464 761 HB3 MET 98 3HB MET 98 -13.160 15.319 -9.487 762 HG2 MET 98 2HG MET 98 -14.831 13.150 -9.628 763 HG3 MET 98 3HG MET 98 -14.254 13.096 -7.963 764 HE1 MET 98 1HE MET 98 -17.768 15.114 -9.264 765 HE2 MET 98 2HE MET 98 -16.920 13.643 -9.741 766 HE3 MET 98 3HE MET 98 -17.567 13.798 -8.107 767 H THR 99 H THR 99 -13.289 15.444 -12.024 768 HA THR 99 HA THR 99 -10.563 16.163 -12.879 769 HB THR 99 HB THR 99 -11.880 17.369 -14.771 770 HG1 THR 99 HG1 THR 99 -13.964 17.066 -14.666 771 HG21 THR 99 1HG2 THR 99 -11.434 15.596 -16.156 772 HG22 THR 99 2HG2 THR 99 -12.087 14.409 -15.027 773 HG23 THR 99 3HG2 THR 99 -10.497 15.116 -14.741 774 H VAL 100 H VAL 100 -11.000 17.218 -10.536 775 HA VAL 100 HA VAL 100 -12.495 19.513 -10.216 776 HB VAL 100 HB VAL 100 -9.736 18.986 -9.101 777 HG11 VAL 100 1HG1 VAL 100 -10.361 20.557 -7.336 778 HG12 VAL 100 2HG1 VAL 100 -10.373 21.337 -8.919 779 HG13 VAL 100 3HG1 VAL 100 -11.892 20.871 -8.151 780 HG21 VAL 100 1HG2 VAL 100 -12.139 17.613 -8.681 781 HG22 VAL 100 2HG2 VAL 100 -10.656 17.493 -7.734 782 HG23 VAL 100 3HG2 VAL 100 -11.915 18.633 -7.259 783 H SER 101 H SER 101 -12.181 21.691 -10.583 784 HA SER 101 HA SER 101 -10.282 22.318 -12.715 785 HB2 SER 101 2HB SER 101 -12.935 23.251 -11.969 786 HB3 SER 101 3HB SER 101 -11.823 24.590 -12.246 787 HG SER 101 HG SER 101 -13.046 23.578 -14.112 788 H THR 102 H THR 102 -11.079 23.164 -9.413 789 HA THR 102 HA THR 102 -8.522 24.572 -9.200 790 HB THR 102 HB THR 102 -9.420 26.465 -8.069 791 HG1 THR 102 HG1 THR 102 -11.300 26.392 -7.096 792 HG21 THR 102 1HG2 THR 102 -11.350 26.038 -10.338 793 HG22 THR 102 2HG2 THR 102 -9.634 26.344 -10.607 794 HG23 THR 102 3HG2 THR 102 -10.625 27.547 -9.784 795 H ALA 103 H ALA 103 -7.516 24.362 -7.239 796 HA ALA 103 HA ALA 103 -8.014 22.164 -5.652 797 HB1 ALA 103 1HB ALA 103 -6.110 22.754 -4.657 798 HB2 ALA 103 2HB ALA 103 -6.085 24.140 -5.749 799 HB3 ALA 103 3HB ALA 103 -6.774 24.302 -4.133 800 H ALA 104 H ALA 104 -9.254 25.435 -5.338 801 HA ALA 104 HA ALA 104 -10.308 25.227 -2.739 802 HB1 ALA 104 1HB ALA 104 -10.022 27.280 -4.351 803 HB2 ALA 104 2HB ALA 104 -11.686 26.891 -4.789 804 HB3 ALA 104 3HB ALA 104 -11.280 27.267 -3.114 805 H ALA 105 H ALA 105 -11.869 24.758 -5.907 806 HA ALA 105 HA ALA 105 -14.409 24.082 -4.978 807 HB1 ALA 105 1HB ALA 105 -13.044 24.100 -7.472 808 HB2 ALA 105 2HB ALA 105 -13.899 22.565 -7.314 809 HB3 ALA 105 3HB ALA 105 -14.781 24.085 -7.163 810 H ALA 106 H ALA 106 -11.526 22.109 -5.398 811 HA ALA 106 HA ALA 106 -12.703 19.580 -5.082 812 HB1 ALA 106 1HB ALA 106 -10.059 20.657 -5.257 813 HB2 ALA 106 2HB ALA 106 -10.128 19.472 -3.953 814 HB3 ALA 106 3HB ALA 106 -10.618 19.016 -5.585 815 H GLU 107 H GLU 107 -11.081 21.648 -2.670 816 HA GLU 107 HA GLU 107 -11.562 20.002 -0.458 817 HB2 GLU 107 2HB GLU 107 -9.940 21.750 -0.280 818 HB3 GLU 107 3HB GLU 107 -11.134 22.981 -0.671 819 HG2 GLU 107 2HG GLU 107 -11.934 21.466 1.646 820 HG3 GLU 107 3HG GLU 107 -10.326 22.157 1.857 821 H ASN 108 H ASN 108 -13.372 22.851 -1.597 822 HA ASN 108 HA ASN 108 -15.372 22.846 0.329 823 HB2 ASN 108 2HB ASN 108 -15.252 23.797 -2.514 824 HB3 ASN 108 3HB ASN 108 -16.775 23.866 -1.631 825 HD21 ASN 108 1HD2 ASN 108 -16.740 25.011 0.444 826 HD22 ASN 108 2HD2 ASN 108 -15.716 26.393 0.603 827 H MET 109 H MET 109 -14.950 20.819 -2.471 828 HA MET 109 HA MET 109 -17.612 19.803 -2.554 829 HB2 MET 109 2HB MET 109 -15.850 19.759 -4.416 830 HB3 MET 109 3HB MET 109 -15.171 18.368 -3.581 831 HG2 MET 109 2HG MET 109 -17.934 17.896 -3.835 832 HG3 MET 109 3HG MET 109 -17.366 18.490 -5.394 833 HE1 MET 109 1HE MET 109 -17.585 15.482 -2.995 834 HE2 MET 109 2HE MET 109 -18.582 15.573 -4.448 835 HE3 MET 109 3HE MET 109 -17.370 14.301 -4.287 836 H TYR 110 H TYR 110 -14.546 18.382 -1.409 837 HA TYR 110 HA TYR 110 -15.531 16.011 -0.399 838 HB2 TYR 110 2HB TYR 110 -13.083 17.133 -0.483 839 HB3 TYR 110 3HB TYR 110 -13.442 17.351 1.226 840 HD1 TYR 110 HD1 TYR 110 -13.316 14.761 -1.444 841 HD2 TYR 110 HD2 TYR 110 -13.133 15.587 2.726 842 HE1 TYR 110 HE1 TYR 110 -12.661 12.429 -1.016 843 HE2 TYR 110 HE2 TYR 110 -12.476 13.258 3.164 844 HH TYR 110 HH TYR 110 -11.665 11.061 0.594 845 H SER 111 H SER 111 -15.601 19.220 1.015 846 HA SER 111 HA SER 111 -16.620 18.254 3.550 847 HB2 SER 111 2HB SER 111 -16.712 20.645 4.162 848 HB3 SER 111 3HB SER 111 -15.130 20.199 3.524 849 HG SER 111 HG SER 111 -15.415 21.588 1.984 850 H GLN 112 H GLN 112 -17.841 19.733 0.618 851 HA GLN 112 HA GLN 112 -20.406 20.424 1.559 852 HB2 GLN 112 2HB GLN 112 -19.118 20.081 -1.086 853 HB3 GLN 112 3HB GLN 112 -20.873 19.963 -1.055 854 HG2 GLN 112 2HG GLN 112 -19.851 22.239 0.445 855 HG3 GLN 112 3HG GLN 112 -19.415 22.272 -1.263 856 HE21 GLN 112 1HE2 GLN 112 -20.742 23.752 -2.091 857 HE22 GLN 112 2HE2 GLN 112 -22.466 23.720 -1.976 858 H MET 113 H MET 113 -19.047 17.430 0.358 859 HA MET 113 HA MET 113 -21.648 16.128 0.315 860 HB2 MET 113 2HB MET 113 -18.898 15.423 -0.579 861 HB3 MET 113 3HB MET 113 -19.979 14.101 -0.160 862 HG2 MET 113 2HG MET 113 -21.251 16.068 -1.870 863 HG3 MET 113 3HG MET 113 -19.806 15.371 -2.597 864 HE1 MET 113 1HE MET 113 -20.448 11.625 -2.060 865 HE2 MET 113 2HE MET 113 -20.030 12.405 -3.586 866 HE3 MET 113 3HE MET 113 -19.280 12.946 -2.083 867 H GLY 114 H GLY 114 -19.772 17.043 2.732 868 HA2 GLY 114 2HA GLY 114 -19.652 16.402 4.937 869 HA3 GLY 114 3HA GLY 114 -20.825 15.147 4.568 870 H LEU 115 H LEU 115 -17.983 15.169 2.654 871 HA LEU 115 HA LEU 115 -17.206 12.599 3.663 872 HB2 LEU 115 2HB LEU 115 -15.550 14.265 1.806 873 HB3 LEU 115 3HB LEU 115 -15.686 12.509 1.896 874 HG LEU 115 HG LEU 115 -17.843 14.361 0.882 875 HD11 LEU 115 1HD1 LEU 115 -15.482 13.291 -0.388 876 HD12 LEU 115 2HD1 LEU 115 -16.663 14.450 -0.997 877 HD13 LEU 115 3HD1 LEU 115 -16.953 12.719 -1.175 878 HD21 LEU 115 1HD2 LEU 115 -17.598 11.355 0.923 879 HD22 LEU 115 2HD2 LEU 115 -18.836 12.253 0.044 880 HD23 LEU 115 3HD2 LEU 115 -18.769 12.338 1.805 881 H ASP 116 H ASP 116 -16.255 15.880 4.207 882 HA ASP 116 HA ASP 116 -13.784 15.093 5.543 883 HB2 ASP 116 2HB ASP 116 -13.455 17.041 4.282 884 HB3 ASP 116 3HB ASP 116 -14.999 17.731 4.771 885 H THR 117 H THR 117 -14.498 14.011 7.367 886 HA THR 117 HA THR 117 -16.525 14.919 9.099 887 HB THR 117 HB THR 117 -14.735 13.455 10.680 888 HG1 THR 117 HG1 THR 117 -14.937 12.203 8.140 889 HG21 THR 117 1HG2 THR 117 -16.977 12.315 9.017 890 HG22 THR 117 2HG2 THR 117 -17.245 13.291 10.462 891 HG23 THR 117 3HG2 THR 117 -16.394 11.751 10.582 892 H ARG 118 H ARG 118 -16.528 16.295 10.788 893 HA ARG 118 HA ARG 118 -13.989 17.650 11.415 894 HB2 ARG 118 2HB ARG 118 -16.787 18.606 11.135 895 HB3 ARG 118 3HB ARG 118 -15.810 19.363 12.385 896 HG2 ARG 118 2HG ARG 118 -14.316 20.260 10.859 897 HG3 ARG 118 3HG ARG 118 -14.770 19.116 9.594 898 HD2 ARG 118 2HD ARG 118 -15.862 20.970 8.837 899 HD3 ARG 118 3HD ARG 118 -17.118 20.292 9.870 900 HE ARG 118 HE ARG 118 -15.625 21.991 11.461 901 HH11 ARG 118 1HH1 ARG 118 -17.601 22.227 8.604 902 HH12 ARG 118 2HH1 ARG 118 -18.097 23.857 8.923 903 HH21 ARG 118 1HH2 ARG 118 -16.270 24.136 11.892 904 HH22 ARG 118 2HH2 ARG 118 -17.338 24.941 10.793 905 HA PRO 119 HA PRO 119 -14.155 16.389 15.613 906 HB2 PRO 119 2HB PRO 119 -13.338 18.617 16.931 907 HB3 PRO 119 3HB PRO 119 -12.247 17.620 15.962 908 HG2 PRO 119 2HG PRO 119 -13.613 20.185 15.239 909 HG3 PRO 119 3HG PRO 119 -11.942 19.679 14.924 910 HD2 PRO 119 2HD PRO 119 -13.879 19.564 13.036 911 HD3 PRO 119 3HD PRO 119 -12.539 18.401 13.101 Start of MODEL 13 1 H1 GLY 2 H GLY 2 5.120 -0.324 2.412 2 HA2 GLY 2 2HA GLY 2 7.817 0.627 1.776 3 HA3 GLY 2 3HA GLY 2 6.840 -0.450 0.789 4 H ASN 3 H ASN 3 7.418 0.923 -1.006 5 HA ASN 3 HA ASN 3 5.852 3.419 -1.071 6 HB2 ASN 3 2HB ASN 3 8.604 2.838 -1.867 7 HB3 ASN 3 3HB ASN 3 7.675 3.626 -3.139 8 HD21 ASN 3 1HD2 ASN 3 7.091 5.731 -2.920 9 HD22 ASN 3 2HD2 ASN 3 7.608 6.737 -1.614 10 H GLY 4 H GLY 4 4.026 3.048 -2.155 11 HA2 GLY 4 2HA GLY 4 4.007 1.125 -4.356 12 HA3 GLY 4 3HA GLY 4 2.597 1.855 -3.602 13 H GLN 5 H GLN 5 3.927 1.645 -6.446 14 HA GLN 5 HA GLN 5 2.949 4.238 -7.296 15 HB2 GLN 5 2HB GLN 5 4.936 4.930 -8.428 16 HB3 GLN 5 3HB GLN 5 5.383 4.559 -6.769 17 HG2 GLN 5 2HG GLN 5 6.094 2.286 -7.602 18 HG3 GLN 5 3HG GLN 5 5.902 2.927 -9.233 19 HE21 GLN 5 1HE2 GLN 5 7.437 4.238 -10.068 20 HE22 GLN 5 2HE2 GLN 5 8.895 4.669 -9.248 21 H GLY 6 H GLY 6 2.681 4.386 -9.628 22 HA2 GLY 6 2HA GLY 6 3.228 2.454 -11.508 23 HA3 GLY 6 3HA GLY 6 1.750 1.914 -10.725 24 H ARG 7 H ARG 7 0.438 2.173 -12.508 25 HA ARG 7 HA ARG 7 0.380 4.492 -14.120 26 HB2 ARG 7 2HB ARG 7 -1.309 2.082 -13.770 27 HB3 ARG 7 3HB ARG 7 -2.091 3.485 -14.487 28 HG2 ARG 7 2HG ARG 7 -1.323 2.573 -16.395 29 HG3 ARG 7 3HG ARG 7 0.154 3.430 -15.950 30 HD2 ARG 7 2HD ARG 7 -0.025 0.830 -14.679 31 HD3 ARG 7 3HD ARG 7 -0.105 0.713 -16.437 32 HE ARG 7 HE ARG 7 2.174 1.444 -14.854 33 HH11 ARG 7 1HH1 ARG 7 0.650 1.751 -17.969 34 HH12 ARG 7 2HH1 ARG 7 2.134 2.061 -18.809 35 HH21 ARG 7 1HH2 ARG 7 4.133 1.850 -15.948 36 HH22 ARG 7 2HH2 ARG 7 4.114 2.116 -17.658 37 H ASP 8 H ASP 8 -1.844 3.387 -11.562 38 HA ASP 8 HA ASP 8 -3.554 5.554 -11.518 39 HB2 ASP 8 2HB ASP 8 -3.491 3.302 -10.128 40 HB3 ASP 8 3HB ASP 8 -2.742 4.337 -8.914 41 H TRP 9 H TRP 9 -0.374 5.213 -10.061 42 HA TRP 9 HA TRP 9 -0.471 7.591 -8.515 43 HB2 TRP 9 2HB TRP 9 1.151 5.587 -8.318 44 HB3 TRP 9 3HB TRP 9 2.069 6.388 -9.590 45 HD1 TRP 9 HD1 TRP 9 4.066 7.556 -8.510 46 HE1 TRP 9 HE1 TRP 9 4.453 9.002 -6.416 47 HE3 TRP 9 HE3 TRP 9 -0.630 7.347 -6.500 48 HZ2 TRP 9 HZ2 TRP 9 2.965 9.931 -4.205 49 HZ3 TRP 9 HZ3 TRP 9 -1.066 8.541 -4.393 50 HH2 TRP 9 HH2 TRP 9 0.696 9.805 -3.271 51 H LYS 10 H LYS 10 1.325 6.892 -11.521 52 HA LYS 10 HA LYS 10 2.166 9.471 -12.065 53 HB2 LYS 10 2HB LYS 10 1.799 6.995 -13.616 54 HB3 LYS 10 3HB LYS 10 1.768 8.468 -14.574 55 HG2 LYS 10 2HG LYS 10 3.956 8.963 -14.146 56 HG3 LYS 10 3HG LYS 10 3.960 8.115 -12.598 57 HD2 LYS 10 2HD LYS 10 4.992 6.441 -13.652 58 HD3 LYS 10 3HD LYS 10 3.454 6.122 -14.457 59 HE2 LYS 10 2HE LYS 10 5.284 8.202 -15.566 60 HE3 LYS 10 3HE LYS 10 5.646 6.499 -15.847 61 HZ1 LYS 10 1HZ LYS 10 4.182 7.796 -17.521 62 HZ2 LYS 10 2HZ LYS 10 2.944 7.521 -16.401 63 HZ3 LYS 10 3HZ LYS 10 3.758 6.213 -17.099 64 H MET 11 H MET 11 -0.894 7.905 -12.869 65 HA MET 11 HA MET 11 -1.908 10.002 -14.480 66 HB2 MET 11 2HB MET 11 -2.960 7.541 -13.242 67 HB3 MET 11 3HB MET 11 -4.152 8.806 -13.513 68 HG2 MET 11 2HG MET 11 -3.217 8.898 -15.899 69 HG3 MET 11 3HG MET 11 -2.475 7.347 -15.516 70 HE1 MET 11 1HE MET 11 -4.238 6.891 -17.951 71 HE2 MET 11 2HE MET 11 -5.960 7.224 -17.769 72 HE3 MET 11 3HE MET 11 -4.788 8.534 -17.622 73 H ALA 12 H ALA 12 -1.969 9.356 -11.033 74 HA ALA 12 HA ALA 12 -3.933 11.238 -10.304 75 HB1 ALA 12 1HB ALA 12 -1.616 10.540 -8.536 76 HB2 ALA 12 2HB ALA 12 -3.294 10.864 -8.097 77 HB3 ALA 12 3HB ALA 12 -2.871 9.355 -8.907 78 H ILE 13 H ILE 13 -0.414 11.499 -10.621 79 HA ILE 13 HA ILE 13 -0.230 14.166 -9.685 80 HB ILE 13 HB ILE 13 1.641 12.638 -11.499 81 HG12 ILE 13 2HG1 ILE 13 1.268 11.623 -9.261 82 HG13 ILE 13 3HG1 ILE 13 2.921 12.186 -9.486 83 HG21 ILE 13 1HG2 ILE 13 2.236 14.862 -11.815 84 HG22 ILE 13 2HG2 ILE 13 1.860 15.303 -10.151 85 HG23 ILE 13 3HG2 ILE 13 3.299 14.347 -10.506 86 HD11 ILE 13 1HD1 ILE 13 2.768 13.449 -7.683 87 HD12 ILE 13 2HD1 ILE 13 1.354 14.277 -8.335 88 HD13 ILE 13 3HD1 ILE 13 1.155 12.796 -7.399 89 H LYS 14 H LYS 14 -0.521 12.757 -12.919 90 HA LYS 14 HA LYS 14 -0.301 15.217 -14.320 91 HB2 LYS 14 2HB LYS 14 0.137 13.129 -15.458 92 HB3 LYS 14 3HB LYS 14 -1.494 12.559 -15.125 93 HG2 LYS 14 2HG LYS 14 -1.470 15.091 -16.547 94 HG3 LYS 14 3HG LYS 14 -0.640 13.803 -17.425 95 HD2 LYS 14 2HD LYS 14 -3.329 13.318 -16.199 96 HD3 LYS 14 3HD LYS 14 -3.191 14.126 -17.762 97 HE2 LYS 14 2HE LYS 14 -1.873 12.204 -18.592 98 HE3 LYS 14 3HE LYS 14 -2.129 11.394 -17.048 99 HZ1 LYS 14 1HZ LYS 14 -3.697 10.663 -18.757 100 HZ2 LYS 14 2HZ LYS 14 -4.287 12.241 -18.904 101 HZ3 LYS 14 3HZ LYS 14 -4.493 11.393 -17.455 102 H ARG 15 H ARG 15 -3.028 13.348 -13.084 103 HA ARG 15 HA ARG 15 -5.073 14.879 -14.279 104 HB2 ARG 15 2HB ARG 15 -4.946 13.012 -11.938 105 HB3 ARG 15 3HB ARG 15 -6.408 13.943 -12.236 106 HG2 ARG 15 2HG ARG 15 -6.556 12.972 -14.482 107 HG3 ARG 15 3HG ARG 15 -5.109 12.017 -14.152 108 HD2 ARG 15 2HD ARG 15 -6.470 10.436 -13.372 109 HD3 ARG 15 3HD ARG 15 -6.767 11.497 -11.996 110 HE ARG 15 HE ARG 15 -8.876 11.846 -12.790 111 HH11 ARG 15 1HH1 ARG 15 -6.891 10.649 -15.388 112 HH12 ARG 15 2HH1 ARG 15 -8.209 10.510 -16.504 113 HH21 ARG 15 1HH2 ARG 15 -10.619 11.667 -14.251 114 HH22 ARG 15 2HH2 ARG 15 -10.328 11.090 -15.857 115 H CYS 16 H CYS 16 -3.851 14.935 -10.926 116 HA CYS 16 HA CYS 16 -5.313 17.206 -10.142 117 HB2 CYS 16 2HB CYS 16 -4.307 15.619 -8.546 118 HB3 CYS 16 3HB CYS 16 -2.702 16.163 -9.022 119 HG CYS 16 HG CYS 16 -4.085 17.167 -6.480 120 H SER 17 H SER 17 -2.358 16.845 -11.905 121 HA SER 17 HA SER 17 -1.154 19.322 -11.430 122 HB2 SER 17 2HB SER 17 0.313 18.074 -12.631 123 HB3 SER 17 3HB SER 17 -0.967 17.220 -13.493 124 HG SER 17 HG SER 17 0.414 19.507 -14.183 125 H ASN 18 H ASN 18 -3.978 18.506 -13.213 126 HA ASN 18 HA ASN 18 -3.988 21.057 -14.640 127 HB2 ASN 18 2HB ASN 18 -5.904 18.717 -14.770 128 HB3 ASN 18 3HB ASN 18 -5.998 20.163 -15.772 129 HD21 ASN 18 1HD2 ASN 18 -5.462 17.194 -16.234 130 HD22 ASN 18 2HD2 ASN 18 -4.076 17.189 -17.265 131 H VAL 19 H VAL 19 -4.314 20.819 -11.701 132 HA VAL 19 HA VAL 19 -7.053 21.860 -11.411 133 HB VAL 19 HB VAL 19 -5.202 20.858 -9.243 134 HG11 VAL 19 1HG1 VAL 19 -7.416 22.528 -9.065 135 HG12 VAL 19 2HG1 VAL 19 -8.027 20.930 -8.630 136 HG13 VAL 19 3HG1 VAL 19 -6.664 21.626 -7.751 137 HG21 VAL 19 1HG2 VAL 19 -7.642 19.501 -10.377 138 HG22 VAL 19 2HG2 VAL 19 -5.989 19.104 -10.843 139 HG23 VAL 19 3HG2 VAL 19 -6.517 18.861 -9.179 140 H ALA 20 H ALA 20 -7.367 23.934 -10.901 141 HA ALA 20 HA ALA 20 -5.176 25.753 -10.841 142 HB1 ALA 20 1HB ALA 20 -6.885 27.476 -10.502 143 HB2 ALA 20 2HB ALA 20 -7.311 26.382 -11.818 144 HB3 ALA 20 3HB ALA 20 -8.096 26.219 -10.247 145 H VAL 21 H VAL 21 -3.849 25.725 -9.125 146 HA VAL 21 HA VAL 21 -4.488 25.007 -6.513 147 HB VAL 21 HB VAL 21 -2.340 26.983 -7.276 148 HG11 VAL 21 1HG1 VAL 21 -2.711 25.107 -4.952 149 HG12 VAL 21 2HG1 VAL 21 -1.173 25.884 -5.334 150 HG13 VAL 21 3HG1 VAL 21 -2.579 26.865 -4.918 151 HG21 VAL 21 1HG2 VAL 21 -1.217 24.437 -7.042 152 HG22 VAL 21 2HG2 VAL 21 -2.656 24.223 -8.038 153 HG23 VAL 21 3HG2 VAL 21 -1.417 25.384 -8.517 154 H GLY 22 H GLY 22 -4.979 27.998 -8.200 155 HA2 GLY 22 2HA GLY 22 -5.191 29.737 -5.987 156 HA3 GLY 22 3HA GLY 22 -5.913 29.998 -7.568 157 H VAL 23 H VAL 23 -7.327 30.913 -5.526 158 HA VAL 23 HA VAL 23 -9.420 28.885 -5.074 159 HB VAL 23 HB VAL 23 -10.073 30.106 -3.067 160 HG11 VAL 23 1HG1 VAL 23 -7.552 29.926 -2.012 161 HG12 VAL 23 2HG1 VAL 23 -8.677 28.580 -2.208 162 HG13 VAL 23 3HG1 VAL 23 -7.445 28.886 -3.431 163 HG21 VAL 23 1HG2 VAL 23 -7.729 31.903 -3.686 164 HG22 VAL 23 2HG2 VAL 23 -9.433 32.351 -3.759 165 HG23 VAL 23 3HG2 VAL 23 -8.694 31.946 -2.210 166 H GLY 24 H GLY 24 -8.684 32.124 -6.140 167 HA2 GLY 24 2HA GLY 24 -11.543 32.548 -6.745 168 HA3 GLY 24 3HA GLY 24 -10.382 33.841 -6.485 169 H GLY 25 H GLY 25 -8.350 33.463 -8.063 170 HA2 GLY 25 2HA GLY 25 -9.538 33.557 -10.735 171 HA3 GLY 25 3HA GLY 25 -7.948 34.157 -10.284 172 H LYS 26 H LYS 26 -7.721 32.895 -12.464 173 HA LYS 26 HA LYS 26 -7.704 30.109 -12.536 174 HB2 LYS 26 2HB LYS 26 -6.601 32.287 -14.137 175 HB3 LYS 26 3HB LYS 26 -5.598 30.842 -14.173 176 HG2 LYS 26 2HG LYS 26 -6.959 30.319 -15.892 177 HG3 LYS 26 3HG LYS 26 -7.983 29.712 -14.588 178 HD2 LYS 26 2HD LYS 26 -8.397 32.542 -15.044 179 HD3 LYS 26 3HD LYS 26 -8.673 31.599 -16.510 180 HE2 LYS 26 2HE LYS 26 -9.838 30.632 -13.946 181 HE3 LYS 26 3HE LYS 26 -10.596 32.005 -14.752 182 HZ1 LYS 26 1HZ LYS 26 -9.983 29.587 -16.304 183 HZ2 LYS 26 2HZ LYS 26 -11.202 30.736 -16.545 184 HZ3 LYS 26 3HZ LYS 26 -11.346 29.597 -15.301 185 H SER 27 H SER 27 -4.950 32.299 -11.947 186 HA SER 27 HA SER 27 -2.949 31.981 -10.910 187 HB2 SER 27 2HB SER 27 -4.648 31.530 -9.029 188 HB3 SER 27 3HB SER 27 -4.273 29.824 -9.272 189 HG SER 27 HG SER 27 -2.566 30.148 -8.112 190 H LYS 28 H LYS 28 -1.499 29.963 -9.990 191 HA LYS 28 HA LYS 28 -0.837 28.494 -12.348 192 HB2 LYS 28 2HB LYS 28 0.330 28.967 -9.711 193 HB3 LYS 28 3HB LYS 28 0.588 27.325 -10.287 194 HG2 LYS 28 2HG LYS 28 1.207 28.786 -12.499 195 HG3 LYS 28 3HG LYS 28 1.754 29.847 -11.198 196 HD2 LYS 28 2HD LYS 28 3.080 28.023 -10.260 197 HD3 LYS 28 3HD LYS 28 2.517 26.946 -11.541 198 HE2 LYS 28 2HE LYS 28 4.174 29.443 -11.887 199 HE3 LYS 28 3HE LYS 28 4.736 27.780 -12.055 200 HZ1 LYS 28 1HZ LYS 28 3.127 27.525 -13.896 201 HZ2 LYS 28 2HZ LYS 28 4.325 28.675 -14.214 202 HZ3 LYS 28 3HZ LYS 28 2.768 29.174 -13.783 203 H LYS 29 H LYS 29 -0.217 26.029 -11.869 204 HA LYS 29 HA LYS 29 -2.660 24.761 -10.814 205 HB2 LYS 29 2HB LYS 29 -2.531 23.102 -12.508 206 HB3 LYS 29 3HB LYS 29 -2.314 24.648 -13.317 207 HG2 LYS 29 2HG LYS 29 0.201 24.189 -13.072 208 HG3 LYS 29 3HG LYS 29 -0.285 22.524 -12.746 209 HD2 LYS 29 2HD LYS 29 -0.784 22.134 -14.896 210 HD3 LYS 29 3HD LYS 29 -1.597 23.688 -15.082 211 HE2 LYS 29 2HE LYS 29 1.397 23.395 -15.002 212 HE3 LYS 29 3HE LYS 29 0.466 23.337 -16.498 213 HZ1 LYS 29 1HZ LYS 29 0.096 25.539 -16.454 214 HZ2 LYS 29 2HZ LYS 29 1.471 25.576 -15.472 215 HZ3 LYS 29 3HZ LYS 29 -0.068 25.608 -14.772 216 H PHE 30 H PHE 30 -2.341 22.483 -10.097 217 HA PHE 30 HA PHE 30 -0.318 22.337 -8.145 218 HB2 PHE 30 2HB PHE 30 -2.546 20.693 -9.040 219 HB3 PHE 30 3HB PHE 30 -1.161 19.716 -8.561 220 HD1 PHE 30 HD1 PHE 30 -0.027 20.562 -6.289 221 HD2 PHE 30 HD2 PHE 30 -4.081 21.192 -7.420 222 HE1 PHE 30 HE1 PHE 30 -0.638 20.852 -3.923 223 HE2 PHE 30 HE2 PHE 30 -4.699 21.484 -5.056 224 HZ PHE 30 HZ PHE 30 -2.977 21.314 -3.304 225 H GLY 31 H GLY 31 0.965 20.078 -8.062 226 HA2 GLY 31 2HA GLY 31 2.082 19.227 -10.561 227 HA3 GLY 31 3HA GLY 31 3.161 20.304 -9.687 228 H GLU 32 H GLU 32 4.510 18.285 -9.839 229 HA GLU 32 HA GLU 32 3.782 16.116 -8.078 230 HB2 GLU 32 2HB GLU 32 5.036 15.592 -10.076 231 HB3 GLU 32 3HB GLU 32 6.313 16.709 -9.617 232 HG2 GLU 32 2HG GLU 32 7.240 15.269 -8.146 233 HG3 GLU 32 3HG GLU 32 5.691 14.559 -7.693 234 H GLY 33 H GLY 33 6.437 18.503 -8.148 235 HA2 GLY 33 2HA GLY 33 7.567 17.899 -5.685 236 HA3 GLY 33 3HA GLY 33 7.624 19.484 -6.446 237 H ASN 34 H ASN 34 4.921 20.151 -6.408 238 HA ASN 34 HA ASN 34 4.649 21.112 -3.760 239 HB2 ASN 34 2HB ASN 34 3.690 21.974 -6.090 240 HB3 ASN 34 3HB ASN 34 2.285 21.045 -5.574 241 HD21 ASN 34 1HD2 ASN 34 4.513 23.582 -4.563 242 HD22 ASN 34 2HD2 ASN 34 3.383 24.425 -3.564 243 H PHE 35 H PHE 35 3.082 18.503 -5.555 244 HA PHE 35 HA PHE 35 1.125 17.825 -3.680 245 HB2 PHE 35 2HB PHE 35 1.031 16.900 -5.899 246 HB3 PHE 35 3HB PHE 35 2.596 16.118 -5.693 247 HD1 PHE 35 HD1 PHE 35 -0.578 16.234 -3.728 248 HD2 PHE 35 HD2 PHE 35 2.430 13.842 -5.557 249 HE1 PHE 35 HE1 PHE 35 -1.706 14.202 -2.918 250 HE2 PHE 35 HE2 PHE 35 1.307 11.807 -4.752 251 HZ PHE 35 HZ PHE 35 -0.764 11.985 -3.431 252 H ARG 36 H ARG 36 4.533 17.057 -3.826 253 HA ARG 36 HA ARG 36 4.458 15.028 -1.813 254 HB2 ARG 36 2HB ARG 36 6.875 16.651 -2.594 255 HB3 ARG 36 3HB ARG 36 6.828 15.015 -1.950 256 HG2 ARG 36 2HG ARG 36 5.328 14.910 -4.296 257 HG3 ARG 36 3HG ARG 36 6.726 15.916 -4.679 258 HD2 ARG 36 2HD ARG 36 7.945 13.946 -3.325 259 HD3 ARG 36 3HD ARG 36 6.576 13.048 -3.981 260 HE ARG 36 HE ARG 36 7.497 13.225 -6.073 261 HH11 ARG 36 1HH1 ARG 36 9.108 15.426 -3.909 262 HH12 ARG 36 2HH1 ARG 36 10.356 15.831 -5.040 263 HH21 ARG 36 1HH2 ARG 36 9.135 13.750 -7.572 264 HH22 ARG 36 2HH2 ARG 36 10.370 14.878 -7.124 265 H TRP 37 H TRP 37 5.564 18.414 -1.832 266 HA TRP 37 HA TRP 37 6.296 18.634 0.827 267 HB2 TRP 37 2HB TRP 37 6.841 20.446 -0.580 268 HB3 TRP 37 3HB TRP 37 5.174 20.638 -1.120 269 HD1 TRP 37 HD1 TRP 37 7.588 21.780 1.533 270 HE1 TRP 37 HE1 TRP 37 6.428 23.484 3.075 271 HE3 TRP 37 HE3 TRP 37 2.772 21.187 -0.077 272 HZ2 TRP 37 HZ2 TRP 37 3.818 24.448 3.548 273 HZ3 TRP 37 HZ3 TRP 37 1.003 22.537 0.971 274 HH2 TRP 37 HH2 TRP 37 1.517 24.133 2.747 275 H ALA 38 H ALA 38 3.109 18.664 -0.612 276 HA ALA 38 HA ALA 38 1.792 19.539 1.801 277 HB1 ALA 38 1HB ALA 38 0.328 20.141 0.234 278 HB2 ALA 38 2HB ALA 38 1.045 19.060 -0.962 279 HB3 ALA 38 3HB ALA 38 -0.155 18.446 0.174 280 H ILE 39 H ILE 39 1.471 16.549 -0.125 281 HA ILE 39 HA ILE 39 0.123 15.020 1.717 282 HB ILE 39 HB ILE 39 0.627 14.344 -0.632 283 HG12 ILE 39 2HG1 ILE 39 1.562 12.082 1.068 284 HG13 ILE 39 3HG1 ILE 39 -0.003 12.796 1.447 285 HG21 ILE 39 1HG2 ILE 39 3.104 14.896 -0.366 286 HG22 ILE 39 2HG2 ILE 39 3.250 13.315 0.402 287 HG23 ILE 39 3HG2 ILE 39 2.694 13.437 -1.267 288 HD11 ILE 39 1HD1 ILE 39 -0.730 12.373 -0.857 289 HD12 ILE 39 2HD1 ILE 39 0.825 11.608 -1.189 290 HD13 ILE 39 3HD1 ILE 39 -0.275 10.895 -0.009 291 H ARG 40 H ARG 40 3.548 15.753 1.583 292 HA ARG 40 HA ARG 40 4.304 13.841 3.577 293 HB2 ARG 40 2HB ARG 40 5.815 14.826 1.786 294 HB3 ARG 40 3HB ARG 40 5.857 16.292 2.756 295 HG2 ARG 40 2HG ARG 40 6.545 14.530 4.638 296 HG3 ARG 40 3HG ARG 40 7.144 13.675 3.215 297 HD2 ARG 40 2HD ARG 40 8.944 14.975 3.236 298 HD3 ARG 40 3HD ARG 40 7.909 16.366 2.915 299 HE ARG 40 HE ARG 40 8.214 17.028 5.076 300 HH11 ARG 40 1HH1 ARG 40 9.025 13.652 4.816 301 HH12 ARG 40 2HH1 ARG 40 9.616 13.535 6.441 302 HH21 ARG 40 1HH2 ARG 40 8.987 16.887 7.217 303 HH22 ARG 40 2HH2 ARG 40 9.592 15.375 7.806 304 H MET 41 H MET 41 4.176 17.409 3.595 305 HA MET 41 HA MET 41 4.652 17.783 6.302 306 HB2 MET 41 2HB MET 41 4.581 19.563 4.534 307 HB3 MET 41 3HB MET 41 2.826 19.484 4.600 308 HG2 MET 41 2HG MET 41 3.257 21.257 5.981 309 HG3 MET 41 3HG MET 41 3.168 19.928 7.136 310 HE1 MET 41 1HE MET 41 4.477 22.706 7.878 311 HE2 MET 41 2HE MET 41 4.423 21.334 8.986 312 HE3 MET 41 3HE MET 41 5.944 22.182 8.706 313 H ALA 42 H ALA 42 1.709 16.885 4.645 314 HA ALA 42 HA ALA 42 -0.055 17.369 6.830 315 HB1 ALA 42 1HB ALA 42 -1.725 16.306 5.533 316 HB2 ALA 42 2HB ALA 42 -0.706 17.194 4.400 317 HB3 ALA 42 3HB ALA 42 -0.527 15.447 4.564 318 H ASN 43 H ASN 43 1.449 14.420 5.523 319 HA ASN 43 HA ASN 43 0.362 12.599 7.327 320 HB2 ASN 43 2HB ASN 43 3.040 12.558 5.922 321 HB3 ASN 43 3HB ASN 43 2.351 11.183 6.779 322 HD21 ASN 43 1HD2 ASN 43 3.055 11.243 4.043 323 HD22 ASN 43 2HD2 ASN 43 1.611 11.014 3.121 324 H VAL 44 H VAL 44 3.435 14.380 7.517 325 HA VAL 44 HA VAL 44 4.287 13.343 9.978 326 HB VAL 44 HB VAL 44 4.869 16.089 8.857 327 HG11 VAL 44 1HG1 VAL 44 5.454 15.827 11.225 328 HG12 VAL 44 2HG1 VAL 44 6.418 14.404 10.823 329 HG13 VAL 44 3HG1 VAL 44 6.887 15.990 10.211 330 HG21 VAL 44 1HG2 VAL 44 7.006 14.253 8.483 331 HG22 VAL 44 2HG2 VAL 44 5.534 13.524 7.843 332 HG23 VAL 44 3HG2 VAL 44 6.060 15.104 7.263 333 H SER 45 H SER 45 2.327 16.191 9.208 334 HA SER 45 HA SER 45 2.157 17.259 11.790 335 HB2 SER 45 2HB SER 45 0.338 17.419 9.392 336 HB3 SER 45 3HB SER 45 -0.055 18.237 10.903 337 HG SER 45 HG SER 45 1.776 18.894 8.989 338 H THR 46 H THR 46 0.652 14.501 10.378 339 HA THR 46 HA THR 46 -1.337 14.323 12.515 340 HB THR 46 HB THR 46 -1.735 12.064 11.075 341 HG1 THR 46 HG1 THR 46 -1.115 13.933 9.057 342 HG21 THR 46 1HG2 THR 46 -3.371 13.544 9.713 343 HG22 THR 46 2HG2 THR 46 -2.786 14.852 10.742 344 HG23 THR 46 3HG2 THR 46 -3.567 13.446 11.463 345 H GLY 47 H GLY 47 1.739 13.086 11.622 346 HA2 GLY 47 2HA GLY 47 3.181 11.803 12.908 347 HA3 GLY 47 3HA GLY 47 1.883 11.560 14.066 348 H ARG 48 H ARG 48 1.626 10.856 10.637 349 HA ARG 48 HA ARG 48 1.210 8.034 11.324 350 HB2 ARG 48 2HB ARG 48 -0.439 9.599 9.946 351 HB3 ARG 48 3HB ARG 48 0.596 9.106 8.612 352 HG2 ARG 48 2HG ARG 48 -0.135 6.958 8.652 353 HG3 ARG 48 3HG ARG 48 -0.431 6.974 10.392 354 HD2 ARG 48 2HD ARG 48 -2.581 7.427 10.064 355 HD3 ARG 48 3HD ARG 48 -2.170 8.847 9.103 356 HE ARG 48 HE ARG 48 -2.691 7.658 7.230 357 HH11 ARG 48 1HH1 ARG 48 -2.053 5.424 9.823 358 HH12 ARG 48 2HH1 ARG 48 -2.502 4.026 8.904 359 HH21 ARG 48 1HH2 ARG 48 -3.285 5.825 6.009 360 HH22 ARG 48 2HH2 ARG 48 -3.202 4.255 6.733 361 H GLU 49 H GLU 49 3.833 8.736 11.353 362 HA GLU 49 HA GLU 49 5.869 8.111 10.554 363 HB2 GLU 49 2HB GLU 49 3.995 6.181 9.409 364 HB3 GLU 49 3HB GLU 49 5.447 6.388 8.438 365 HG2 GLU 49 2HG GLU 49 6.465 4.971 9.794 366 HG3 GLU 49 3HG GLU 49 6.358 6.191 11.061 367 HA PRO 50 HA PRO 50 6.842 10.653 7.114 368 HB2 PRO 50 2HB PRO 50 9.064 9.457 6.112 369 HB3 PRO 50 3HB PRO 50 9.058 10.349 7.637 370 HG2 PRO 50 2HG PRO 50 8.901 7.396 7.170 371 HG3 PRO 50 3HG PRO 50 9.846 8.289 8.376 372 HD2 PRO 50 2HD PRO 50 7.508 7.062 8.975 373 HD3 PRO 50 3HD PRO 50 8.039 8.551 9.783 374 H GLY 51 H GLY 51 7.195 7.202 6.253 375 HA2 GLY 51 2HA GLY 51 6.461 7.761 3.501 376 HA3 GLY 51 3HA GLY 51 6.907 6.196 4.167 377 H ASP 52 H ASP 52 4.299 8.614 4.321 378 HA ASP 52 HA ASP 52 2.388 6.390 4.607 379 HB2 ASP 52 2HB ASP 52 2.620 8.309 6.389 380 HB3 ASP 52 3HB ASP 52 1.658 9.225 5.232 381 H ILE 53 H ILE 53 2.615 6.189 2.233 382 HA ILE 53 HA ILE 53 1.019 8.212 0.803 383 HB ILE 53 HB ILE 53 2.968 6.234 -0.386 384 HG12 ILE 53 2HG1 ILE 53 3.261 9.203 0.124 385 HG13 ILE 53 3HG1 ILE 53 4.128 7.920 0.962 386 HG21 ILE 53 1HG2 ILE 53 2.665 7.424 -2.448 387 HG22 ILE 53 2HG2 ILE 53 1.084 6.937 -1.843 388 HG23 ILE 53 3HG2 ILE 53 1.620 8.607 -1.662 389 HD11 ILE 53 1HD1 ILE 53 4.986 7.275 -1.374 390 HD12 ILE 53 2HD1 ILE 53 4.448 8.887 -1.846 391 HD13 ILE 53 3HD1 ILE 53 5.663 8.697 -0.582 392 HA PRO 54 HA PRO 54 -1.609 4.406 1.009 393 HB2 PRO 54 2HB PRO 54 -3.918 5.757 1.467 394 HB3 PRO 54 3HB PRO 54 -2.816 5.274 2.761 395 HG2 PRO 54 2HG PRO 54 -3.107 7.932 1.413 396 HG3 PRO 54 3HG PRO 54 -2.903 7.568 3.136 397 HD2 PRO 54 2HD PRO 54 -0.856 8.396 1.571 398 HD3 PRO 54 3HD PRO 54 -0.624 7.286 2.936 399 H GLU 55 H GLU 55 -4.013 4.381 -0.078 400 HA GLU 55 HA GLU 55 -4.240 5.954 -2.462 401 HB2 GLU 55 2HB GLU 55 -2.494 3.937 -2.774 402 HB3 GLU 55 3HB GLU 55 -3.985 3.070 -3.115 403 HG2 GLU 55 2HG GLU 55 -3.951 3.854 -5.178 404 HG3 GLU 55 3HG GLU 55 -4.102 5.494 -4.549 405 H THR 56 H THR 56 -6.004 5.704 -0.437 406 HA THR 56 HA THR 56 -8.239 4.362 -1.749 407 HB THR 56 HB THR 56 -8.982 3.170 0.154 408 HG1 THR 56 HG1 THR 56 -8.383 3.656 2.151 409 HG21 THR 56 1HG2 THR 56 -7.106 2.114 -1.081 410 HG22 THR 56 2HG2 THR 56 -7.181 1.623 0.611 411 HG23 THR 56 3HG2 THR 56 -5.985 2.810 0.089 412 H LEU 57 H LEU 57 -10.111 5.474 -1.599 413 HA LEU 57 HA LEU 57 -10.179 8.132 -0.862 414 HB2 LEU 57 2HB LEU 57 -11.876 6.501 -2.138 415 HB3 LEU 57 3HB LEU 57 -12.704 6.616 -0.587 416 HG LEU 57 HG LEU 57 -13.640 8.226 -2.100 417 HD11 LEU 57 1HD1 LEU 57 -13.047 8.790 0.372 418 HD12 LEU 57 2HD1 LEU 57 -13.620 10.060 -0.709 419 HD13 LEU 57 3HD1 LEU 57 -11.898 9.911 -0.359 420 HD21 LEU 57 1HD2 LEU 57 -10.795 9.140 -2.475 421 HD22 LEU 57 2HD2 LEU 57 -12.200 10.080 -2.979 422 HD23 LEU 57 3HD2 LEU 57 -11.893 8.498 -3.696 423 H ASP 58 H ASP 58 -10.752 5.285 1.082 424 HA ASP 58 HA ASP 58 -11.957 6.586 3.293 425 HB2 ASP 58 2HB ASP 58 -10.433 3.980 3.117 426 HB3 ASP 58 3HB ASP 58 -11.318 4.517 4.543 427 H GLN 59 H GLN 59 -8.625 5.925 2.392 428 HA GLN 59 HA GLN 59 -7.473 6.666 4.880 429 HB2 GLN 59 2HB GLN 59 -6.540 5.888 2.235 430 HB3 GLN 59 3HB GLN 59 -5.536 7.142 2.950 431 HG2 GLN 59 2HG GLN 59 -4.464 5.438 3.909 432 HG3 GLN 59 3HG GLN 59 -5.816 5.439 5.040 433 HE21 GLN 59 1HE2 GLN 59 -4.651 4.016 2.033 434 HE22 GLN 59 2HE2 GLN 59 -5.482 2.513 2.211 435 H LEU 60 H LEU 60 -7.843 8.399 1.795 436 HA LEU 60 HA LEU 60 -6.658 10.801 2.588 437 HB2 LEU 60 2HB LEU 60 -8.673 10.068 0.505 438 HB3 LEU 60 3HB LEU 60 -8.281 11.762 0.793 439 HG LEU 60 HG LEU 60 -7.040 10.819 -1.103 440 HD11 LEU 60 1HD1 LEU 60 -6.064 12.653 0.147 441 HD12 LEU 60 2HD1 LEU 60 -4.805 11.545 -0.397 442 HD13 LEU 60 3HD1 LEU 60 -5.336 11.518 1.284 443 HD21 LEU 60 1HD2 LEU 60 -5.450 9.087 -0.864 444 HD22 LEU 60 2HD2 LEU 60 -6.929 8.501 -0.105 445 HD23 LEU 60 3HD2 LEU 60 -5.598 9.090 0.893 446 H ARG 61 H ARG 61 -10.020 9.712 2.802 447 HA ARG 61 HA ARG 61 -11.144 12.103 3.727 448 HB2 ARG 61 2HB ARG 61 -12.439 10.140 2.928 449 HB3 ARG 61 3HB ARG 61 -12.006 9.285 4.402 450 HG2 ARG 61 2HG ARG 61 -13.124 11.158 5.671 451 HG3 ARG 61 3HG ARG 61 -13.748 11.715 4.116 452 HD2 ARG 61 2HD ARG 61 -14.208 8.997 5.340 453 HD3 ARG 61 3HD ARG 61 -15.377 10.315 5.285 454 HE ARG 61 HE ARG 61 -14.643 9.867 2.673 455 HH11 ARG 61 1HH1 ARG 61 -16.067 8.004 5.246 456 HH12 ARG 61 2HH1 ARG 61 -16.977 6.984 4.180 457 HH21 ARG 61 1HH2 ARG 61 -15.835 8.531 1.260 458 HH22 ARG 61 2HH2 ARG 61 -16.842 7.284 1.913 459 H LEU 62 H LEU 62 -9.968 9.290 5.571 460 HA LEU 62 HA LEU 62 -10.475 10.215 8.128 461 HB2 LEU 62 2HB LEU 62 -9.019 8.102 6.937 462 HB3 LEU 62 3HB LEU 62 -7.958 8.867 8.118 463 HG LEU 62 HG LEU 62 -9.098 7.008 9.138 464 HD11 LEU 62 1HD1 LEU 62 -9.167 8.186 11.012 465 HD12 LEU 62 2HD1 LEU 62 -10.719 8.877 10.541 466 HD13 LEU 62 3HD1 LEU 62 -9.219 9.677 10.072 467 HD21 LEU 62 1HD2 LEU 62 -11.043 6.544 8.051 468 HD22 LEU 62 2HD2 LEU 62 -11.476 8.243 7.861 469 HD23 LEU 62 3HD2 LEU 62 -11.700 7.445 9.418 470 H VAL 63 H VAL 63 -7.736 10.896 6.010 471 HA VAL 63 HA VAL 63 -6.127 12.246 7.880 472 HB VAL 63 HB VAL 63 -6.273 12.774 4.909 473 HG11 VAL 63 1HG1 VAL 63 -3.971 13.513 5.145 474 HG12 VAL 63 2HG1 VAL 63 -5.027 14.450 6.205 475 HG13 VAL 63 3HG1 VAL 63 -4.018 13.167 6.874 476 HG21 VAL 63 1HG2 VAL 63 -5.516 10.409 6.315 477 HG22 VAL 63 2HG2 VAL 63 -5.493 10.721 4.580 478 HG23 VAL 63 3HG2 VAL 63 -4.085 11.116 5.565 479 H ILE 64 H ILE 64 -8.622 13.417 5.653 480 HA ILE 64 HA ILE 64 -8.311 16.158 6.140 481 HB ILE 64 HB ILE 64 -10.743 14.578 5.314 482 HG12 ILE 64 2HG1 ILE 64 -8.833 14.632 3.735 483 HG13 ILE 64 3HG1 ILE 64 -10.253 15.452 3.097 484 HG21 ILE 64 1HG2 ILE 64 -11.668 16.793 4.605 485 HG22 ILE 64 2HG2 ILE 64 -11.578 16.556 6.350 486 HG23 ILE 64 3HG2 ILE 64 -10.380 17.559 5.534 487 HD11 ILE 64 1HD1 ILE 64 -8.290 16.723 2.577 488 HD12 ILE 64 2HD1 ILE 64 -9.251 17.609 3.762 489 HD13 ILE 64 3HD1 ILE 64 -7.804 16.740 4.272 490 H CYS 65 H CYS 65 -10.184 13.693 7.825 491 HA CYS 65 HA CYS 65 -11.603 15.450 9.527 492 HB2 CYS 65 2HB CYS 65 -12.116 13.001 9.050 493 HB3 CYS 65 3HB CYS 65 -10.839 12.609 10.196 494 HG CYS 65 HG CYS 65 -12.371 12.659 12.243 495 H ASP 66 H ASP 66 -8.805 13.353 10.245 496 HA ASP 66 HA ASP 66 -8.292 14.374 12.794 497 HB2 ASP 66 2HB ASP 66 -6.134 13.354 10.955 498 HB3 ASP 66 3HB ASP 66 -6.231 13.216 12.708 499 H LEU 67 H LEU 67 -6.893 15.283 9.656 500 HA LEU 67 HA LEU 67 -5.134 17.244 10.624 501 HB2 LEU 67 2HB LEU 67 -5.029 16.268 8.369 502 HB3 LEU 67 3HB LEU 67 -6.514 17.118 7.945 503 HG LEU 67 HG LEU 67 -5.377 19.256 8.161 504 HD11 LEU 67 1HD1 LEU 67 -3.026 17.565 8.976 505 HD12 LEU 67 2HD1 LEU 67 -3.806 18.856 9.891 506 HD13 LEU 67 3HD1 LEU 67 -2.879 19.240 8.441 507 HD21 LEU 67 1HD2 LEU 67 -3.504 17.640 6.502 508 HD22 LEU 67 2HD2 LEU 67 -4.299 19.172 6.140 509 HD23 LEU 67 3HD2 LEU 67 -5.215 17.665 6.078 510 H GLN 68 H GLN 68 -8.545 17.338 9.853 511 HA GLN 68 HA GLN 68 -8.872 20.132 9.754 512 HB2 GLN 68 2HB GLN 68 -10.625 17.777 10.019 513 HB3 GLN 68 3HB GLN 68 -11.274 19.264 10.696 514 HG2 GLN 68 2HG GLN 68 -10.103 19.527 8.018 515 HG3 GLN 68 3HG GLN 68 -11.536 18.505 8.117 516 HE21 GLN 68 1HE2 GLN 68 -10.685 21.441 7.298 517 HE22 GLN 68 2HE2 GLN 68 -12.043 22.362 7.837 518 H GLU 69 H GLU 69 -9.290 17.831 12.436 519 HA GLU 69 HA GLU 69 -9.997 19.751 14.371 520 HB2 GLU 69 2HB GLU 69 -9.121 16.922 14.388 521 HB3 GLU 69 3HB GLU 69 -8.895 17.814 15.886 522 HG2 GLU 69 2HG GLU 69 -11.529 18.189 14.692 523 HG3 GLU 69 3HG GLU 69 -11.177 16.518 15.130 524 H ARG 70 H ARG 70 -6.888 18.466 13.327 525 HA ARG 70 HA ARG 70 -5.352 19.697 15.379 526 HB2 ARG 70 2HB ARG 70 -4.647 18.548 12.684 527 HB3 ARG 70 3HB ARG 70 -3.439 19.275 13.734 528 HG2 ARG 70 2HG ARG 70 -4.725 17.527 15.414 529 HG3 ARG 70 3HG ARG 70 -4.715 16.664 13.875 530 HD2 ARG 70 2HD ARG 70 -2.721 16.074 15.034 531 HD3 ARG 70 3HD ARG 70 -2.265 17.154 13.716 532 HE ARG 70 HE ARG 70 -2.559 18.842 15.798 533 HH11 ARG 70 1HH1 ARG 70 -0.795 15.869 15.389 534 HH12 ARG 70 2HH1 ARG 70 0.451 16.301 16.513 535 HH21 ARG 70 1HH2 ARG 70 -0.924 19.423 17.279 536 HH22 ARG 70 2HH2 ARG 70 0.376 18.322 17.588 537 H ARG 71 H ARG 71 -5.638 20.485 11.908 538 HA ARG 71 HA ARG 71 -4.238 22.865 11.926 539 HB2 ARG 71 2HB ARG 71 -5.258 23.365 9.847 540 HB3 ARG 71 3HB ARG 71 -5.158 21.612 9.922 541 HG2 ARG 71 2HG ARG 71 -7.502 21.477 10.528 542 HG3 ARG 71 3HG ARG 71 -7.616 23.238 10.538 543 HD2 ARG 71 2HD ARG 71 -6.594 21.939 8.075 544 HD3 ARG 71 3HD ARG 71 -8.313 21.771 8.430 545 HE ARG 71 HE ARG 71 -7.324 24.474 8.592 546 HH11 ARG 71 1HH1 ARG 71 -8.678 22.015 6.532 547 HH12 ARG 71 2HH1 ARG 71 -9.303 23.143 5.375 548 HH21 ARG 71 1HH2 ARG 71 -8.143 25.969 7.077 549 HH22 ARG 71 2HH2 ARG 71 -8.998 25.392 5.687 550 H GLU 72 H GLU 72 -7.478 22.203 13.023 551 HA GLU 72 HA GLU 72 -8.390 24.892 13.112 552 HB2 GLU 72 2HB GLU 72 -9.865 22.870 13.151 553 HB3 GLU 72 3HB GLU 72 -9.328 22.565 14.797 554 HG2 GLU 72 2HG GLU 72 -10.559 24.258 15.665 555 HG3 GLU 72 3HG GLU 72 -10.424 25.250 14.214 556 H LYS 73 H LYS 73 -7.478 22.716 15.791 557 HA LYS 73 HA LYS 73 -7.360 24.737 17.740 558 HB2 LYS 73 2HB LYS 73 -6.900 21.920 17.602 559 HB3 LYS 73 3HB LYS 73 -5.545 22.664 18.440 560 HG2 LYS 73 2HG LYS 73 -7.923 23.821 19.453 561 HG3 LYS 73 3HG LYS 73 -8.136 22.069 19.428 562 HD2 LYS 73 2HD LYS 73 -5.975 21.834 20.616 563 HD3 LYS 73 3HD LYS 73 -5.868 23.593 20.712 564 HE2 LYS 73 2HE LYS 73 -8.387 22.423 21.684 565 HE3 LYS 73 3HE LYS 73 -6.955 22.018 22.629 566 HZ1 LYS 73 1HZ LYS 73 -6.946 24.037 23.507 567 HZ2 LYS 73 2HZ LYS 73 -8.426 24.349 22.749 568 HZ3 LYS 73 3HZ LYS 73 -6.979 24.778 21.987 569 H PHE 74 H PHE 74 -5.126 23.765 15.300 570 HA PHE 74 HA PHE 74 -2.853 25.039 16.572 571 HB2 PHE 74 2HB PHE 74 -2.565 22.985 15.213 572 HB3 PHE 74 3HB PHE 74 -3.105 23.873 13.792 573 HD1 PHE 74 HD1 PHE 74 -1.662 25.407 12.663 574 HD2 PHE 74 HD2 PHE 74 -0.403 23.481 16.243 575 HE1 PHE 74 HE1 PHE 74 0.651 26.127 12.233 576 HE2 PHE 74 HE2 PHE 74 1.912 24.198 15.820 577 HZ PHE 74 HZ PHE 74 2.442 25.524 13.813 578 H GLY 75 H GLY 75 -5.354 25.838 14.338 579 HA2 GLY 75 2HA GLY 75 -5.869 28.137 13.893 580 HA3 GLY 75 3HA GLY 75 -4.157 28.506 14.019 581 H SER 76 H SER 76 -5.548 29.478 11.902 582 HA SER 76 HA SER 76 -5.231 27.691 9.641 583 HB2 SER 76 2HB SER 76 -5.790 30.259 8.675 584 HB3 SER 76 3HB SER 76 -6.943 28.947 8.917 585 HG SER 76 HG SER 76 -7.779 30.450 10.186 586 H SER 77 H SER 77 -3.672 27.792 8.101 587 HA SER 77 HA SER 77 -1.777 29.997 8.077 588 HB2 SER 77 2HB SER 77 -0.035 28.931 9.014 589 HB3 SER 77 3HB SER 77 -1.184 27.707 9.556 590 HG SER 77 HG SER 77 0.812 27.360 7.914 591 H LYS 78 H LYS 78 -0.640 30.195 6.146 592 HA LYS 78 HA LYS 78 -1.898 29.357 3.820 593 HB2 LYS 78 2HB LYS 78 0.192 30.070 2.658 594 HB3 LYS 78 3HB LYS 78 -0.437 31.263 3.787 595 HG2 LYS 78 2HG LYS 78 1.214 30.308 5.470 596 HG3 LYS 78 3HG LYS 78 1.955 29.479 4.099 597 HD2 LYS 78 2HD LYS 78 2.943 31.352 3.379 598 HD3 LYS 78 3HD LYS 78 1.465 32.298 3.570 599 HE2 LYS 78 2HE LYS 78 2.055 32.089 6.124 600 HE3 LYS 78 3HE LYS 78 3.682 31.813 5.504 601 HZ1 LYS 78 1HZ LYS 78 2.762 33.983 4.112 602 HZ2 LYS 78 2HZ LYS 78 3.861 34.008 5.397 603 HZ3 LYS 78 3HZ LYS 78 2.212 34.247 5.690 604 H GLU 79 H GLU 79 0.708 27.860 5.635 605 HA GLU 79 HA GLU 79 1.353 25.914 3.650 606 HB2 GLU 79 2HB GLU 79 1.899 25.898 6.624 607 HB3 GLU 79 3HB GLU 79 2.636 24.823 5.444 608 HG2 GLU 79 2HG GLU 79 3.427 27.007 4.308 609 HG3 GLU 79 3HG GLU 79 3.077 27.746 5.869 610 H ILE 80 H ILE 80 -0.183 25.525 6.848 611 HA ILE 80 HA ILE 80 -1.049 22.915 6.521 612 HB ILE 80 HB ILE 80 -1.109 24.233 8.655 613 HG12 ILE 80 2HG1 ILE 80 -3.311 23.189 9.422 614 HG13 ILE 80 3HG1 ILE 80 -3.521 22.660 7.757 615 HG21 ILE 80 1HG2 ILE 80 -2.199 26.235 7.791 616 HG22 ILE 80 2HG2 ILE 80 -3.671 25.314 7.490 617 HG23 ILE 80 3HG2 ILE 80 -3.107 25.556 9.142 618 HD11 ILE 80 1HD1 ILE 80 -2.321 21.209 9.691 619 HD12 ILE 80 2HD1 ILE 80 -2.021 21.013 7.964 620 HD13 ILE 80 3HD1 ILE 80 -0.928 21.990 8.943 621 H ASP 81 H ASP 81 -2.427 25.884 5.317 622 HA ASP 81 HA ASP 81 -4.980 24.817 4.640 623 HB2 ASP 81 2HB ASP 81 -4.462 27.260 4.940 624 HB3 ASP 81 3HB ASP 81 -3.603 27.207 3.402 625 H MET 82 H MET 82 -1.990 25.373 2.815 626 HA MET 82 HA MET 82 -3.002 24.473 0.329 627 HB2 MET 82 2HB MET 82 -0.832 25.831 0.932 628 HB3 MET 82 3HB MET 82 -0.102 24.234 1.024 629 HG2 MET 82 2HG MET 82 -0.653 23.778 -1.257 630 HG3 MET 82 3HG MET 82 -1.601 25.259 -1.372 631 HE1 MET 82 1HE MET 82 0.475 25.858 -3.818 632 HE2 MET 82 2HE MET 82 -0.935 26.481 -2.959 633 HE3 MET 82 3HE MET 82 0.538 27.449 -3.058 634 H ALA 83 H ALA 83 -1.546 22.856 3.068 635 HA ALA 83 HA ALA 83 -0.964 20.395 1.807 636 HB1 ALA 83 1HB ALA 83 -0.283 19.698 3.844 637 HB2 ALA 83 2HB ALA 83 -0.384 21.420 4.217 638 HB3 ALA 83 3HB ALA 83 -1.708 20.341 4.662 639 H ILE 84 H ILE 84 -3.662 21.242 3.987 640 HA ILE 84 HA ILE 84 -5.117 18.898 3.699 641 HB ILE 84 HB ILE 84 -5.708 20.493 5.404 642 HG12 ILE 84 2HG1 ILE 84 -8.205 20.806 3.955 643 HG13 ILE 84 3HG1 ILE 84 -7.538 19.191 3.743 644 HG21 ILE 84 1HG2 ILE 84 -6.618 22.653 4.971 645 HG22 ILE 84 2HG2 ILE 84 -5.133 22.505 4.033 646 HG23 ILE 84 3HG2 ILE 84 -6.698 22.336 3.238 647 HD11 ILE 84 1HD1 ILE 84 -7.997 18.601 5.847 648 HD12 ILE 84 2HD1 ILE 84 -7.496 20.160 6.501 649 HD13 ILE 84 3HD1 ILE 84 -9.107 19.971 5.810 650 H VAL 85 H VAL 85 -5.235 21.857 1.756 651 HA VAL 85 HA VAL 85 -7.374 21.074 0.091 652 HB VAL 85 HB VAL 85 -5.115 23.008 -0.440 653 HG11 VAL 85 1HG1 VAL 85 -7.073 23.872 -2.042 654 HG12 VAL 85 2HG1 VAL 85 -5.829 22.741 -2.576 655 HG13 VAL 85 3HG1 VAL 85 -7.415 22.143 -2.089 656 HG21 VAL 85 1HG2 VAL 85 -6.386 24.650 0.496 657 HG22 VAL 85 2HG2 VAL 85 -7.909 23.865 0.079 658 HG23 VAL 85 3HG2 VAL 85 -6.963 23.283 1.448 659 H THR 86 H THR 86 -3.942 20.429 0.010 660 HA THR 86 HA THR 86 -3.801 19.524 -2.675 661 HB THR 86 HB THR 86 -2.029 19.008 -0.286 662 HG1 THR 86 HG1 THR 86 -0.649 20.318 -1.881 663 HG21 THR 86 1HG2 THR 86 -0.456 18.381 -2.376 664 HG22 THR 86 2HG2 THR 86 -2.006 17.799 -2.983 665 HG23 THR 86 3HG2 THR 86 -1.368 17.183 -1.459 666 H LEU 87 H LEU 87 -3.866 17.708 0.398 667 HA LEU 87 HA LEU 87 -4.068 15.162 -0.745 668 HB2 LEU 87 2HB LEU 87 -4.345 14.379 1.380 669 HB3 LEU 87 3HB LEU 87 -3.645 15.962 1.715 670 HG LEU 87 HG LEU 87 -6.221 16.631 1.840 671 HD11 LEU 87 1HD1 LEU 87 -6.233 13.749 1.805 672 HD12 LEU 87 2HD1 LEU 87 -7.584 14.881 1.774 673 HD13 LEU 87 3HD1 LEU 87 -6.899 14.370 3.316 674 HD21 LEU 87 1HD2 LEU 87 -5.733 17.007 3.986 675 HD22 LEU 87 2HD2 LEU 87 -4.152 16.318 3.615 676 HD23 LEU 87 3HD2 LEU 87 -5.417 15.301 4.307 677 H LYS 88 H LYS 88 -6.459 17.618 -0.171 678 HA LYS 88 HA LYS 88 -8.742 15.920 -0.419 679 HB2 LYS 88 2HB LYS 88 -8.222 18.693 0.101 680 HB3 LYS 88 3HB LYS 88 -9.434 18.561 -1.166 681 HG2 LYS 88 2HG LYS 88 -10.982 17.630 0.216 682 HG3 LYS 88 3HG LYS 88 -9.769 16.864 1.243 683 HD2 LYS 88 2HD LYS 88 -9.248 18.961 2.291 684 HD3 LYS 88 3HD LYS 88 -10.282 19.835 1.160 685 HE2 LYS 88 2HE LYS 88 -12.218 19.119 2.169 686 HE3 LYS 88 3HE LYS 88 -11.471 17.655 2.808 687 HZ1 LYS 88 1HZ LYS 88 -11.327 20.408 3.859 688 HZ2 LYS 88 2HZ LYS 88 -10.142 19.270 4.259 689 HZ3 LYS 88 3HZ LYS 88 -11.758 18.985 4.666 690 H VAL 89 H VAL 89 -7.596 18.506 -2.597 691 HA VAL 89 HA VAL 89 -9.128 17.861 -4.797 692 HB VAL 89 HB VAL 89 -6.305 18.937 -4.861 693 HG11 VAL 89 1HG1 VAL 89 -6.517 19.130 -7.064 694 HG12 VAL 89 2HG1 VAL 89 -8.002 18.184 -6.958 695 HG13 VAL 89 3HG1 VAL 89 -8.071 19.946 -6.892 696 HG21 VAL 89 1HG2 VAL 89 -8.332 20.065 -3.507 697 HG22 VAL 89 2HG2 VAL 89 -7.075 20.997 -4.320 698 HG23 VAL 89 3HG2 VAL 89 -8.631 20.740 -5.108 699 H PHE 90 H PHE 90 -5.982 16.555 -3.848 700 HA PHE 90 HA PHE 90 -5.589 14.993 -6.179 701 HB2 PHE 90 2HB PHE 90 -3.721 15.580 -4.733 702 HB3 PHE 90 3HB PHE 90 -4.442 14.688 -3.398 703 HD1 PHE 90 HD1 PHE 90 -2.586 14.452 -6.519 704 HD2 PHE 90 HD2 PHE 90 -4.448 12.253 -3.387 705 HE1 PHE 90 HE1 PHE 90 -1.389 12.426 -7.235 706 HE2 PHE 90 HE2 PHE 90 -3.253 10.223 -4.095 707 HZ PHE 90 HZ PHE 90 -1.720 10.308 -6.022 708 H ALA 91 H ALA 91 -7.148 14.388 -3.089 709 HA ALA 91 HA ALA 91 -7.442 11.605 -3.302 710 HB1 ALA 91 1HB ALA 91 -9.138 13.645 -1.872 711 HB2 ALA 91 2HB ALA 91 -9.312 11.899 -1.684 712 HB3 ALA 91 3HB ALA 91 -7.813 12.695 -1.201 713 H VAL 92 H VAL 92 -9.618 14.242 -4.276 714 HA VAL 92 HA VAL 92 -11.560 12.442 -5.392 715 HB VAL 92 HB VAL 92 -12.264 14.598 -4.480 716 HG11 VAL 92 1HG1 VAL 92 -10.226 15.853 -5.124 717 HG12 VAL 92 2HG1 VAL 92 -10.796 15.855 -6.794 718 HG13 VAL 92 3HG1 VAL 92 -11.722 16.687 -5.545 719 HG21 VAL 92 1HG2 VAL 92 -12.990 13.524 -7.004 720 HG22 VAL 92 2HG2 VAL 92 -13.989 14.432 -5.869 721 HG23 VAL 92 3HG2 VAL 92 -13.075 15.282 -7.114 722 H ALA 93 H ALA 93 -8.970 14.488 -6.633 723 HA ALA 93 HA ALA 93 -9.592 14.005 -9.389 724 HB1 ALA 93 1HB ALA 93 -6.968 14.991 -8.296 725 HB2 ALA 93 2HB ALA 93 -7.654 15.265 -9.898 726 HB3 ALA 93 3HB ALA 93 -8.384 16.026 -8.484 727 H GLY 94 H GLY 94 -8.266 12.085 -7.012 728 HA2 GLY 94 2HA GLY 94 -6.737 10.516 -8.996 729 HA3 GLY 94 3HA GLY 94 -6.349 10.567 -7.283 730 H LEU 95 H LEU 95 -8.101 9.757 -5.804 731 HA LEU 95 HA LEU 95 -8.765 7.116 -6.474 732 HB2 LEU 95 2HB LEU 95 -9.712 8.956 -4.296 733 HB3 LEU 95 3HB LEU 95 -10.275 7.292 -4.430 734 HG LEU 95 HG LEU 95 -8.558 7.323 -2.796 735 HD11 LEU 95 1HD1 LEU 95 -8.513 5.459 -4.424 736 HD12 LEU 95 2HD1 LEU 95 -6.935 5.808 -3.719 737 HD13 LEU 95 3HD1 LEU 95 -7.306 6.345 -5.357 738 HD21 LEU 95 1HD2 LEU 95 -6.441 8.330 -3.038 739 HD22 LEU 95 2HD2 LEU 95 -7.603 9.522 -3.620 740 HD23 LEU 95 3HD2 LEU 95 -6.665 8.569 -4.770 741 H LEU 96 H LEU 96 -10.444 10.104 -6.967 742 HA LEU 96 HA LEU 96 -12.851 8.643 -7.818 743 HB2 LEU 96 2HB LEU 96 -12.547 10.911 -6.222 744 HB3 LEU 96 3HB LEU 96 -13.129 11.518 -7.771 745 HG LEU 96 HG LEU 96 -14.497 9.399 -6.112 746 HD11 LEU 96 1HD1 LEU 96 -15.123 12.325 -6.475 747 HD12 LEU 96 2HD1 LEU 96 -14.586 11.540 -4.991 748 HD13 LEU 96 3HD1 LEU 96 -16.166 11.151 -5.672 749 HD21 LEU 96 1HD2 LEU 96 -15.105 9.015 -8.338 750 HD22 LEU 96 2HD2 LEU 96 -15.147 10.737 -8.720 751 HD23 LEU 96 3HD2 LEU 96 -16.401 10.028 -7.701 752 H ASN 97 H ASN 97 -10.099 10.058 -9.018 753 HA ASN 97 HA ASN 97 -9.435 10.837 -11.056 754 HB2 ASN 97 2HB ASN 97 -11.671 8.967 -11.852 755 HB3 ASN 97 3HB ASN 97 -10.570 9.708 -13.010 756 HD21 ASN 97 1HD2 ASN 97 -8.318 9.203 -12.847 757 HD22 ASN 97 2HD2 ASN 97 -7.818 7.693 -12.173 758 H MET 98 H MET 98 -11.398 12.443 -9.633 759 HA MET 98 HA MET 98 -12.977 13.600 -11.813 760 HB2 MET 98 2HB MET 98 -13.674 13.069 -9.235 761 HB3 MET 98 3HB MET 98 -13.212 14.762 -9.115 762 HG2 MET 98 2HG MET 98 -15.415 14.998 -9.604 763 HG3 MET 98 3HG MET 98 -14.749 14.984 -11.236 764 HE1 MET 98 1HE MET 98 -18.239 13.586 -10.929 765 HE2 MET 98 2HE MET 98 -17.179 14.867 -11.518 766 HE3 MET 98 3HE MET 98 -17.478 13.441 -12.514 767 H THR 99 H THR 99 -11.756 14.963 -12.981 768 HA THR 99 HA THR 99 -9.609 16.494 -11.955 769 HB THR 99 HB THR 99 -11.129 17.192 -14.460 770 HG1 THR 99 HG1 THR 99 -10.658 15.238 -15.120 771 HG21 THR 99 1HG2 THR 99 -8.571 17.910 -13.262 772 HG22 THR 99 2HG2 THR 99 -9.475 18.700 -14.555 773 HG23 THR 99 3HG2 THR 99 -8.412 17.341 -14.923 774 H VAL 100 H VAL 100 -10.374 17.652 -10.165 775 HA VAL 100 HA VAL 100 -12.628 19.322 -10.147 776 HB VAL 100 HB VAL 100 -10.114 19.770 -8.541 777 HG11 VAL 100 1HG1 VAL 100 -12.910 20.743 -8.412 778 HG12 VAL 100 2HG1 VAL 100 -12.104 20.387 -6.883 779 HG13 VAL 100 3HG1 VAL 100 -11.405 21.561 -7.998 780 HG21 VAL 100 1HG2 VAL 100 -11.978 17.547 -8.512 781 HG22 VAL 100 2HG2 VAL 100 -10.425 17.728 -7.696 782 HG23 VAL 100 3HG2 VAL 100 -11.892 18.366 -6.952 783 H SER 101 H SER 101 -12.808 21.598 -10.285 784 HA SER 101 HA SER 101 -11.266 22.743 -12.408 785 HB2 SER 101 2HB SER 101 -13.507 23.749 -10.667 786 HB3 SER 101 3HB SER 101 -12.671 24.823 -11.787 787 HG SER 101 HG SER 101 -13.730 22.351 -12.639 788 H THR 102 H THR 102 -11.793 23.748 -9.025 789 HA THR 102 HA THR 102 -9.067 24.861 -9.028 790 HB THR 102 HB THR 102 -9.735 26.809 -7.848 791 HG1 THR 102 HG1 THR 102 -11.334 26.503 -6.488 792 HG21 THR 102 1HG2 THR 102 -10.654 27.902 -9.589 793 HG22 THR 102 2HG2 THR 102 -12.063 26.841 -9.637 794 HG23 THR 102 3HG2 THR 102 -10.556 26.342 -10.406 795 H ALA 103 H ALA 103 -8.030 24.942 -6.967 796 HA ALA 103 HA ALA 103 -8.239 22.668 -5.422 797 HB1 ALA 103 1HB ALA 103 -6.603 24.915 -5.465 798 HB2 ALA 103 2HB ALA 103 -7.283 24.888 -3.837 799 HB3 ALA 103 3HB ALA 103 -6.411 23.484 -4.452 800 H ALA 104 H ALA 104 -9.748 25.826 -4.904 801 HA ALA 104 HA ALA 104 -10.854 25.263 -2.370 802 HB1 ALA 104 1HB ALA 104 -12.475 27.141 -3.044 803 HB2 ALA 104 2HB ALA 104 -10.758 27.524 -2.916 804 HB3 ALA 104 3HB ALA 104 -11.490 27.271 -4.500 805 H ALA 105 H ALA 105 -12.061 24.804 -5.654 806 HA ALA 105 HA ALA 105 -14.708 24.142 -5.055 807 HB1 ALA 105 1HB ALA 105 -14.822 23.167 -7.236 808 HB2 ALA 105 2HB ALA 105 -13.791 24.595 -7.329 809 HB3 ALA 105 3HB ALA 105 -13.068 22.986 -7.303 810 H ALA 106 H ALA 106 -11.808 22.119 -5.195 811 HA ALA 106 HA ALA 106 -13.107 19.643 -4.811 812 HB1 ALA 106 1HB ALA 106 -10.586 20.353 -5.432 813 HB2 ALA 106 2HB ALA 106 -10.377 19.921 -3.734 814 HB3 ALA 106 3HB ALA 106 -11.039 18.744 -4.869 815 H GLU 107 H GLU 107 -11.408 21.763 -2.502 816 HA GLU 107 HA GLU 107 -11.839 20.261 -0.206 817 HB2 GLU 107 2HB GLU 107 -10.384 22.332 -0.488 818 HB3 GLU 107 3HB GLU 107 -11.851 23.276 -0.266 819 HG2 GLU 107 2HG GLU 107 -11.669 21.356 1.830 820 HG3 GLU 107 3HG GLU 107 -10.136 22.217 1.702 821 H ASN 108 H ASN 108 -13.869 22.788 -1.650 822 HA ASN 108 HA ASN 108 -15.843 22.855 0.335 823 HB2 ASN 108 2HB ASN 108 -15.395 24.286 -1.907 824 HB3 ASN 108 3HB ASN 108 -16.714 23.263 -2.469 825 HD21 ASN 108 1HD2 ASN 108 -18.009 25.132 -2.647 826 HD22 ASN 108 2HD2 ASN 108 -18.731 25.849 -1.251 827 H MET 109 H MET 109 -15.530 20.855 -2.564 828 HA MET 109 HA MET 109 -18.051 19.575 -2.300 829 HB2 MET 109 2HB MET 109 -16.412 19.724 -4.340 830 HB3 MET 109 3HB MET 109 -15.722 18.261 -3.648 831 HG2 MET 109 2HG MET 109 -18.336 17.616 -3.628 832 HG3 MET 109 3HG MET 109 -18.281 18.682 -5.030 833 HE1 MET 109 1HE MET 109 -16.693 14.460 -4.624 834 HE2 MET 109 2HE MET 109 -17.008 15.567 -3.287 835 HE3 MET 109 3HE MET 109 -18.336 15.020 -4.310 836 H TYR 110 H TYR 110 -14.756 18.671 -1.344 837 HA TYR 110 HA TYR 110 -15.213 16.112 -0.417 838 HB2 TYR 110 2HB TYR 110 -13.042 17.661 -0.505 839 HB3 TYR 110 3HB TYR 110 -13.420 17.850 1.203 840 HD1 TYR 110 HD1 TYR 110 -13.437 15.860 2.689 841 HD2 TYR 110 HD2 TYR 110 -12.138 15.625 -1.355 842 HE1 TYR 110 HE1 TYR 110 -12.339 13.714 3.173 843 HE2 TYR 110 HE2 TYR 110 -11.036 13.478 -0.882 844 HH TYR 110 HH TYR 110 -10.054 12.396 1.487 845 H SER 111 H SER 111 -15.661 19.186 1.281 846 HA SER 111 HA SER 111 -16.594 17.870 3.679 847 HB2 SER 111 2HB SER 111 -16.633 19.997 4.673 848 HB3 SER 111 3HB SER 111 -15.294 20.104 3.531 849 HG SER 111 HG SER 111 -17.503 21.592 3.643 850 H GLN 112 H GLN 112 -17.959 19.422 0.867 851 HA GLN 112 HA GLN 112 -20.575 19.818 1.833 852 HB2 GLN 112 2HB GLN 112 -19.806 20.913 -0.188 853 HB3 GLN 112 3HB GLN 112 -19.574 19.360 -0.981 854 HG2 GLN 112 2HG GLN 112 -22.255 19.483 -0.074 855 HG3 GLN 112 3HG GLN 112 -21.890 20.992 -0.909 856 HE21 GLN 112 1HE2 GLN 112 -20.482 20.522 -2.971 857 HE22 GLN 112 2HE2 GLN 112 -21.139 19.312 -4.014 858 H MET 113 H MET 113 -18.988 17.055 0.337 859 HA MET 113 HA MET 113 -21.395 15.511 0.111 860 HB2 MET 113 2HB MET 113 -18.671 15.282 -0.740 861 HB3 MET 113 3HB MET 113 -19.127 13.807 0.104 862 HG2 MET 113 2HG MET 113 -21.180 14.675 -1.739 863 HG3 MET 113 3HG MET 113 -19.630 14.430 -2.540 864 HE1 MET 113 1HE MET 113 -18.716 11.064 -2.500 865 HE2 MET 113 2HE MET 113 -19.854 11.507 -3.772 866 HE3 MET 113 3HE MET 113 -18.690 12.693 -3.177 867 H GLY 114 H GLY 114 -19.383 16.334 2.680 868 HA2 GLY 114 2HA GLY 114 -19.788 15.762 4.921 869 HA3 GLY 114 3HA GLY 114 -20.695 14.359 4.377 870 H LEU 115 H LEU 115 -17.637 14.859 2.909 871 HA LEU 115 HA LEU 115 -16.629 12.443 4.155 872 HB2 LEU 115 2HB LEU 115 -15.222 14.181 2.144 873 HB3 LEU 115 3HB LEU 115 -14.913 12.485 2.515 874 HG LEU 115 HG LEU 115 -17.622 12.858 1.591 875 HD11 LEU 115 1HD1 LEU 115 -17.006 14.683 0.287 876 HD12 LEU 115 2HD1 LEU 115 -16.831 13.314 -0.810 877 HD13 LEU 115 3HD1 LEU 115 -15.405 14.023 -0.052 878 HD21 LEU 115 1HD2 LEU 115 -16.254 10.756 1.693 879 HD22 LEU 115 2HD2 LEU 115 -15.333 11.370 0.320 880 HD23 LEU 115 3HD2 LEU 115 -17.060 11.051 0.152 881 H ASP 116 H ASP 116 -15.990 15.887 4.176 882 HA ASP 116 HA ASP 116 -13.488 15.897 5.418 883 HB2 ASP 116 2HB ASP 116 -14.386 17.926 4.476 884 HB3 ASP 116 3HB ASP 116 -15.759 17.885 5.579 885 H THR 117 H THR 117 -16.623 16.509 7.012 886 HA THR 117 HA THR 117 -15.832 14.864 9.267 887 HB THR 117 HB THR 117 -14.848 17.047 9.836 888 HG1 THR 117 HG1 THR 117 -15.424 16.639 11.829 889 HG21 THR 117 1HG2 THR 117 -15.888 18.957 9.363 890 HG22 THR 117 2HG2 THR 117 -17.218 18.516 10.435 891 HG23 THR 117 3HG2 THR 117 -17.261 18.045 8.737 892 H ARG 118 H ARG 118 -17.609 14.757 10.922 893 HA ARG 118 HA ARG 118 -19.756 14.149 11.383 894 HB2 ARG 118 2HB ARG 118 -19.793 16.748 11.208 895 HB3 ARG 118 3HB ARG 118 -20.679 16.465 9.716 896 HG2 ARG 118 2HG ARG 118 -22.130 14.919 11.297 897 HG3 ARG 118 3HG ARG 118 -21.500 16.017 12.528 898 HD2 ARG 118 2HD ARG 118 -23.627 16.827 11.692 899 HD3 ARG 118 3HD ARG 118 -22.330 17.928 11.228 900 HE ARG 118 HE ARG 118 -22.835 17.504 9.047 901 HH11 ARG 118 1HH1 ARG 118 -24.078 14.901 10.997 902 HH12 ARG 118 2HH1 ARG 118 -24.872 14.115 9.672 903 HH21 ARG 118 1HH2 ARG 118 -23.876 16.478 7.296 904 HH22 ARG 118 2HH2 ARG 118 -24.755 15.012 7.568 905 HA PRO 119 HA PRO 119 -20.282 12.224 7.176 906 HB2 PRO 119 2HB PRO 119 -20.149 9.663 8.065 907 HB3 PRO 119 3HB PRO 119 -18.718 10.601 7.622 908 HG2 PRO 119 2HG PRO 119 -19.863 10.059 10.335 909 HG3 PRO 119 3HG PRO 119 -18.169 10.033 9.809 910 HD2 PRO 119 2HD PRO 119 -19.248 12.129 11.141 911 HD3 PRO 119 3HD PRO 119 -17.964 12.325 9.932 Start of MODEL 14 1 H1 GLY 2 H GLY 2 8.469 0.182 -5.084 2 HA2 GLY 2 2HA GLY 2 9.788 1.719 -3.149 3 HA3 GLY 2 3HA GLY 2 9.864 1.991 -4.883 4 H ASN 3 H ASN 3 9.720 4.178 -4.949 5 HA ASN 3 HA ASN 3 7.794 5.617 -3.369 6 HB2 ASN 3 2HB ASN 3 9.963 6.623 -3.912 7 HB3 ASN 3 3HB ASN 3 9.578 6.553 -5.629 8 HD21 ASN 3 1HD2 ASN 3 9.135 8.488 -6.370 9 HD22 ASN 3 2HD2 ASN 3 8.210 9.704 -5.565 10 H GLY 4 H GLY 4 5.700 5.465 -3.868 11 HA2 GLY 4 2HA GLY 4 3.848 6.117 -5.173 12 HA3 GLY 4 3HA GLY 4 4.882 6.129 -6.594 13 H GLN 5 H GLN 5 2.403 4.980 -6.722 14 HA GLN 5 HA GLN 5 2.725 2.110 -6.375 15 HB2 GLN 5 2HB GLN 5 0.471 3.956 -6.849 16 HB3 GLN 5 3HB GLN 5 0.329 2.382 -7.620 17 HG2 GLN 5 2HG GLN 5 0.035 1.301 -5.672 18 HG3 GLN 5 3HG GLN 5 1.153 2.346 -4.797 19 HE21 GLN 5 1HE2 GLN 5 0.165 4.785 -5.005 20 HE22 GLN 5 2HE2 GLN 5 -1.428 4.890 -4.344 21 H GLY 6 H GLY 6 1.342 3.942 -9.095 22 HA2 GLY 6 2HA GLY 6 3.259 3.292 -11.016 23 HA3 GLY 6 3HA GLY 6 2.071 1.997 -11.011 24 H ARG 7 H ARG 7 0.437 2.224 -12.376 25 HA ARG 7 HA ARG 7 0.107 4.409 -14.061 26 HB2 ARG 7 2HB ARG 7 -2.133 3.411 -14.579 27 HB3 ARG 7 3HB ARG 7 -0.790 2.281 -14.690 28 HG2 ARG 7 2HG ARG 7 -1.368 1.487 -12.396 29 HG3 ARG 7 3HG ARG 7 -2.810 2.502 -12.473 30 HD2 ARG 7 2HD ARG 7 -2.110 0.242 -14.344 31 HD3 ARG 7 3HD ARG 7 -3.338 0.206 -13.079 32 HE ARG 7 HE ARG 7 -3.589 1.347 -15.690 33 HH11 ARG 7 1HH1 ARG 7 -4.689 1.556 -12.394 34 HH12 ARG 7 2HH1 ARG 7 -6.204 2.287 -12.809 35 HH21 ARG 7 1HH2 ARG 7 -5.581 2.307 -16.249 36 HH22 ARG 7 2HH2 ARG 7 -6.710 2.713 -15.001 37 H ASP 8 H ASP 8 -1.660 3.568 -11.102 38 HA ASP 8 HA ASP 8 -3.464 5.736 -11.185 39 HB2 ASP 8 2HB ASP 8 -2.758 3.616 -9.328 40 HB3 ASP 8 3HB ASP 8 -3.096 5.127 -8.487 41 H TRP 9 H TRP 9 -0.188 5.419 -10.019 42 HA TRP 9 HA TRP 9 -0.152 7.824 -8.491 43 HB2 TRP 9 2HB TRP 9 1.468 5.777 -8.431 44 HB3 TRP 9 3HB TRP 9 2.311 6.630 -9.721 45 HD1 TRP 9 HD1 TRP 9 4.343 7.798 -8.711 46 HE1 TRP 9 HE1 TRP 9 4.822 9.177 -6.592 47 HE3 TRP 9 HE3 TRP 9 -0.232 7.440 -6.459 48 HZ2 TRP 9 HZ2 TRP 9 3.442 10.004 -4.272 49 HZ3 TRP 9 HZ3 TRP 9 -0.570 8.554 -4.292 50 HH2 TRP 9 HH2 TRP 9 1.230 9.809 -3.222 51 H LYS 10 H LYS 10 1.475 7.048 -11.574 52 HA LYS 10 HA LYS 10 2.210 9.643 -12.234 53 HB2 LYS 10 2HB LYS 10 1.632 7.216 -13.916 54 HB3 LYS 10 3HB LYS 10 2.122 8.739 -14.646 55 HG2 LYS 10 2HG LYS 10 4.121 8.635 -13.039 56 HG3 LYS 10 3HG LYS 10 3.682 6.936 -12.837 57 HD2 LYS 10 2HD LYS 10 5.058 6.650 -14.604 58 HD3 LYS 10 3HD LYS 10 3.633 7.129 -15.528 59 HE2 LYS 10 2HE LYS 10 4.912 9.503 -14.711 60 HE3 LYS 10 3HE LYS 10 6.176 8.430 -15.310 61 HZ1 LYS 10 1HZ LYS 10 4.186 9.856 -16.764 62 HZ2 LYS 10 2HZ LYS 10 4.130 8.205 -17.123 63 HZ3 LYS 10 3HZ LYS 10 5.571 9.067 -17.333 64 H MET 11 H MET 11 -0.861 8.030 -12.559 65 HA MET 11 HA MET 11 -2.005 9.944 -14.355 66 HB2 MET 11 2HB MET 11 -3.081 7.684 -12.703 67 HB3 MET 11 3HB MET 11 -4.186 8.821 -13.464 68 HG2 MET 11 2HG MET 11 -2.167 7.839 -15.301 69 HG3 MET 11 3HG MET 11 -3.137 6.546 -14.600 70 HE1 MET 11 1HE MET 11 -6.310 7.512 -14.564 71 HE2 MET 11 2HE MET 11 -6.423 6.673 -16.111 72 HE3 MET 11 3HE MET 11 -5.331 6.075 -14.862 73 H ALA 12 H ALA 12 -1.913 9.503 -10.867 74 HA ALA 12 HA ALA 12 -3.857 11.444 -10.204 75 HB1 ALA 12 1HB ALA 12 -3.217 11.145 -7.992 76 HB2 ALA 12 2HB ALA 12 -2.800 9.600 -8.737 77 HB3 ALA 12 3HB ALA 12 -1.541 10.794 -8.419 78 H ILE 13 H ILE 13 -0.384 11.621 -10.763 79 HA ILE 13 HA ILE 13 -0.122 14.333 -9.897 80 HB ILE 13 HB ILE 13 1.711 12.684 -11.643 81 HG12 ILE 13 2HG1 ILE 13 1.337 11.748 -9.380 82 HG13 ILE 13 3HG1 ILE 13 2.993 12.300 -9.610 83 HG21 ILE 13 1HG2 ILE 13 2.304 14.912 -12.032 84 HG22 ILE 13 2HG2 ILE 13 2.016 15.375 -10.356 85 HG23 ILE 13 3HG2 ILE 13 3.413 14.380 -10.768 86 HD11 ILE 13 1HD1 ILE 13 2.235 12.929 -7.427 87 HD12 ILE 13 2HD1 ILE 13 2.415 14.380 -8.412 88 HD13 ILE 13 3HD1 ILE 13 0.811 13.718 -8.104 89 H LYS 14 H LYS 14 -0.364 12.749 -13.063 90 HA LYS 14 HA LYS 14 -0.156 15.127 -14.587 91 HB2 LYS 14 2HB LYS 14 0.264 12.897 -15.532 92 HB3 LYS 14 3HB LYS 14 -1.430 12.482 -15.314 93 HG2 LYS 14 2HG LYS 14 -1.591 14.783 -16.776 94 HG3 LYS 14 3HG LYS 14 -0.130 14.027 -17.419 95 HD2 LYS 14 2HD LYS 14 -1.999 11.959 -17.166 96 HD3 LYS 14 3HD LYS 14 -2.894 13.325 -17.837 97 HE2 LYS 14 2HE LYS 14 -1.692 13.339 -19.773 98 HE3 LYS 14 3HE LYS 14 -0.230 12.730 -18.997 99 HZ1 LYS 14 1HZ LYS 14 -2.371 10.828 -18.971 100 HZ2 LYS 14 2HZ LYS 14 -0.772 10.643 -19.490 101 HZ3 LYS 14 3HZ LYS 14 -1.933 11.280 -20.543 102 H ARG 15 H ARG 15 -2.942 13.220 -13.486 103 HA ARG 15 HA ARG 15 -4.923 14.808 -14.699 104 HB2 ARG 15 2HB ARG 15 -4.980 12.968 -12.311 105 HB3 ARG 15 3HB ARG 15 -6.418 13.789 -12.904 106 HG2 ARG 15 2HG ARG 15 -6.265 12.660 -15.014 107 HG3 ARG 15 3HG ARG 15 -4.714 11.946 -14.563 108 HD2 ARG 15 2HD ARG 15 -5.961 10.185 -13.944 109 HD3 ARG 15 3HD ARG 15 -6.284 11.143 -12.500 110 HE ARG 15 HE ARG 15 -8.448 11.393 -13.196 111 HH11 ARG 15 1HH1 ARG 15 -6.510 10.308 -15.877 112 HH12 ARG 15 2HH1 ARG 15 -7.866 10.054 -16.924 113 HH21 ARG 15 1HH2 ARG 15 -10.242 11.063 -14.567 114 HH22 ARG 15 2HH2 ARG 15 -9.988 10.485 -16.179 115 H CYS 16 H CYS 16 -3.789 14.771 -11.317 116 HA CYS 16 HA CYS 16 -5.309 16.953 -10.445 117 HB2 CYS 16 2HB CYS 16 -3.997 15.259 -9.046 118 HB3 CYS 16 3HB CYS 16 -2.584 16.258 -9.360 119 HG CYS 16 HG CYS 16 -3.934 16.610 -6.761 120 H SER 17 H SER 17 -2.325 16.797 -12.221 121 HA SER 17 HA SER 17 -1.247 19.306 -11.725 122 HB2 SER 17 2HB SER 17 -0.886 17.214 -13.663 123 HB3 SER 17 3HB SER 17 -0.855 18.777 -14.478 124 HG SER 17 HG SER 17 0.912 19.329 -13.401 125 H ASN 18 H ASN 18 -3.877 18.360 -13.856 126 HA ASN 18 HA ASN 18 -4.117 20.807 -15.246 127 HB2 ASN 18 2HB ASN 18 -5.603 18.316 -15.031 128 HB3 ASN 18 3HB ASN 18 -6.674 19.707 -15.165 129 HD21 ASN 18 1HD2 ASN 18 -7.006 20.566 -17.104 130 HD22 ASN 18 2HD2 ASN 18 -6.129 20.164 -18.537 131 H VAL 19 H VAL 19 -5.145 19.767 -12.107 132 HA VAL 19 HA VAL 19 -7.219 21.616 -11.653 133 HB VAL 19 HB VAL 19 -5.331 20.432 -9.613 134 HG11 VAL 19 1HG1 VAL 19 -7.675 22.168 -9.433 135 HG12 VAL 19 2HG1 VAL 19 -7.769 20.731 -8.415 136 HG13 VAL 19 3HG1 VAL 19 -6.410 21.843 -8.250 137 HG21 VAL 19 1HG2 VAL 19 -6.353 18.665 -10.893 138 HG22 VAL 19 2HG2 VAL 19 -7.113 18.735 -9.303 139 HG23 VAL 19 3HG2 VAL 19 -7.945 19.400 -10.709 140 H ALA 20 H ALA 20 -7.250 23.647 -10.740 141 HA ALA 20 HA ALA 20 -4.732 25.124 -10.911 142 HB1 ALA 20 1HB ALA 20 -6.476 27.076 -10.522 143 HB2 ALA 20 2HB ALA 20 -6.239 26.344 -12.109 144 HB3 ALA 20 3HB ALA 20 -7.603 25.851 -11.107 145 H VAL 21 H VAL 21 -3.735 26.017 -9.195 146 HA VAL 21 HA VAL 21 -4.895 25.502 -6.552 147 HB VAL 21 HB VAL 21 -2.585 26.007 -5.713 148 HG11 VAL 21 1HG1 VAL 21 -1.613 23.867 -6.526 149 HG12 VAL 21 2HG1 VAL 21 -3.280 23.722 -5.965 150 HG13 VAL 21 3HG1 VAL 21 -2.930 23.760 -7.693 151 HG21 VAL 21 1HG2 VAL 21 -1.849 25.892 -8.635 152 HG22 VAL 21 2HG2 VAL 21 -1.882 27.362 -7.661 153 HG23 VAL 21 3HG2 VAL 21 -0.743 26.073 -7.274 154 H GLY 22 H GLY 22 -5.614 27.774 -8.369 155 HA2 GLY 22 2HA GLY 22 -5.040 29.932 -6.440 156 HA3 GLY 22 3HA GLY 22 -4.933 30.215 -8.171 157 H VAL 23 H VAL 23 -6.541 31.858 -6.843 158 HA VAL 23 HA VAL 23 -9.193 31.024 -6.435 159 HB VAL 23 HB VAL 23 -8.253 33.174 -5.610 160 HG11 VAL 23 1HG1 VAL 23 -8.121 35.088 -7.096 161 HG12 VAL 23 2HG1 VAL 23 -7.058 33.801 -7.668 162 HG13 VAL 23 3HG1 VAL 23 -8.606 34.087 -8.464 163 HG21 VAL 23 1HG2 VAL 23 -10.730 33.483 -7.304 164 HG22 VAL 23 2HG2 VAL 23 -10.681 32.761 -5.696 165 HG23 VAL 23 3HG2 VAL 23 -10.284 34.465 -5.909 166 H GLY 24 H GLY 24 -7.450 31.943 -9.317 167 HA2 GLY 24 2HA GLY 24 -9.896 31.397 -10.880 168 HA3 GLY 24 3HA GLY 24 -8.822 32.725 -11.295 169 H GLY 25 H GLY 25 -6.842 32.301 -12.285 170 HA2 GLY 25 2HA GLY 25 -5.675 29.789 -12.638 171 HA3 GLY 25 3HA GLY 25 -6.784 30.040 -13.978 172 H LYS 26 H LYS 26 -4.041 31.511 -12.281 173 HA LYS 26 HA LYS 26 -3.227 32.713 -14.846 174 HB2 LYS 26 2HB LYS 26 -3.164 33.788 -12.059 175 HB3 LYS 26 3HB LYS 26 -1.916 34.295 -13.188 176 HG2 LYS 26 2HG LYS 26 -3.941 34.811 -14.750 177 HG3 LYS 26 3HG LYS 26 -4.847 34.831 -13.235 178 HD2 LYS 26 2HD LYS 26 -2.551 36.328 -12.725 179 HD3 LYS 26 3HD LYS 26 -3.063 36.816 -14.342 180 HE2 LYS 26 2HE LYS 26 -4.176 38.265 -12.853 181 HE3 LYS 26 3HE LYS 26 -5.386 37.092 -13.371 182 HZ1 LYS 26 1HZ LYS 26 -4.269 37.552 -10.748 183 HZ2 LYS 26 2HZ LYS 26 -4.373 35.920 -11.179 184 HZ3 LYS 26 3HZ LYS 26 -5.761 36.888 -11.189 185 H SER 27 H SER 27 -2.071 30.758 -15.318 186 HA SER 27 HA SER 27 -0.250 29.389 -15.362 187 HB2 SER 27 2HB SER 27 0.751 31.689 -15.802 188 HB3 SER 27 3HB SER 27 1.248 31.692 -14.110 189 HG SER 27 HG SER 27 2.569 29.969 -14.493 190 H LYS 28 H LYS 28 -1.888 29.107 -13.083 191 HA LYS 28 HA LYS 28 0.113 28.255 -11.095 192 HB2 LYS 28 2HB LYS 28 -2.605 29.476 -10.606 193 HB3 LYS 28 3HB LYS 28 -1.671 28.660 -9.358 194 HG2 LYS 28 2HG LYS 28 0.106 30.486 -10.444 195 HG3 LYS 28 3HG LYS 28 -1.433 31.351 -10.391 196 HD2 LYS 28 2HD LYS 28 -1.620 30.498 -7.986 197 HD3 LYS 28 3HD LYS 28 0.092 30.093 -8.128 198 HE2 LYS 28 2HE LYS 28 0.589 32.192 -7.604 199 HE3 LYS 28 3HE LYS 28 -0.187 32.716 -9.099 200 HZ1 LYS 28 1HZ LYS 28 -2.234 33.019 -7.972 201 HZ2 LYS 28 2HZ LYS 28 -1.050 33.783 -7.037 202 HZ3 LYS 28 3HZ LYS 28 -1.661 32.278 -6.563 203 H LYS 29 H LYS 29 0.068 26.206 -12.201 204 HA LYS 29 HA LYS 29 -2.399 24.661 -11.768 205 HB2 LYS 29 2HB LYS 29 -1.291 23.025 -13.380 206 HB3 LYS 29 3HB LYS 29 -1.842 24.552 -14.057 207 HG2 LYS 29 2HG LYS 29 0.298 25.341 -14.368 208 HG3 LYS 29 3HG LYS 29 0.981 24.286 -13.129 209 HD2 LYS 29 2HD LYS 29 -0.077 22.536 -15.003 210 HD3 LYS 29 3HD LYS 29 0.633 23.828 -15.973 211 HE2 LYS 29 2HE LYS 29 2.719 23.570 -14.591 212 HE3 LYS 29 3HE LYS 29 1.990 22.126 -13.890 213 HZ1 LYS 29 1HZ LYS 29 1.911 22.144 -16.758 214 HZ2 LYS 29 2HZ LYS 29 2.456 20.941 -15.700 215 HZ3 LYS 29 3HZ LYS 29 3.490 22.202 -16.150 216 H PHE 30 H PHE 30 -2.111 22.382 -11.132 217 HA PHE 30 HA PHE 30 -0.421 22.189 -8.845 218 HB2 PHE 30 2HB PHE 30 -2.707 20.866 -9.797 219 HB3 PHE 30 3HB PHE 30 -1.454 19.631 -9.712 220 HD1 PHE 30 HD1 PHE 30 -3.839 21.532 -7.885 221 HD2 PHE 30 HD2 PHE 30 -0.170 19.408 -7.512 222 HE1 PHE 30 HE1 PHE 30 -4.197 21.346 -5.458 223 HE2 PHE 30 HE2 PHE 30 -0.523 19.218 -5.085 224 HZ PHE 30 HZ PHE 30 -2.538 20.186 -4.055 225 H GLY 31 H GLY 31 1.382 20.911 -8.496 226 HA2 GLY 31 2HA GLY 31 2.556 19.622 -10.874 227 HA3 GLY 31 3HA GLY 31 3.508 20.738 -9.906 228 H GLU 32 H GLU 32 4.498 18.264 -10.276 229 HA GLU 32 HA GLU 32 3.713 16.363 -8.326 230 HB2 GLU 32 2HB GLU 32 5.897 15.289 -8.829 231 HB3 GLU 32 3HB GLU 32 4.949 15.645 -10.266 232 HG2 GLU 32 2HG GLU 32 6.423 17.891 -10.100 233 HG3 GLU 32 3HG GLU 32 7.538 16.725 -9.386 234 H GLY 33 H GLY 33 6.256 18.834 -8.403 235 HA2 GLY 33 2HA GLY 33 7.503 18.202 -5.980 236 HA3 GLY 33 3HA GLY 33 7.486 19.795 -6.721 237 H ASN 34 H ASN 34 4.837 20.472 -6.612 238 HA ASN 34 HA ASN 34 4.562 21.362 -3.958 239 HB2 ASN 34 2HB ASN 34 2.788 21.373 -6.373 240 HB3 ASN 34 3HB ASN 34 2.120 21.834 -4.809 241 HD21 ASN 34 1HD2 ASN 34 3.751 23.359 -3.589 242 HD22 ASN 34 2HD2 ASN 34 4.281 24.711 -4.525 243 H PHE 35 H PHE 35 2.983 18.735 -5.735 244 HA PHE 35 HA PHE 35 1.108 17.964 -3.845 245 HB2 PHE 35 2HB PHE 35 0.999 16.964 -5.995 246 HB3 PHE 35 3HB PHE 35 2.653 16.368 -5.883 247 HD1 PHE 35 HD1 PHE 35 2.768 14.091 -5.739 248 HD2 PHE 35 HD2 PHE 35 -0.408 16.115 -3.757 249 HE1 PHE 35 HE1 PHE 35 1.936 11.939 -4.883 250 HE2 PHE 35 HE2 PHE 35 -1.245 13.967 -2.897 251 HZ PHE 35 HZ PHE 35 -0.072 11.875 -3.459 252 H ARG 36 H ARG 36 4.509 17.019 -4.137 253 HA ARG 36 HA ARG 36 4.525 15.140 -2.041 254 HB2 ARG 36 2HB ARG 36 6.877 16.845 -2.845 255 HB3 ARG 36 3HB ARG 36 6.897 15.221 -2.172 256 HG2 ARG 36 2HG ARG 36 5.393 15.042 -4.522 257 HG3 ARG 36 3HG ARG 36 6.782 16.059 -4.912 258 HD2 ARG 36 2HD ARG 36 7.308 13.613 -3.329 259 HD3 ARG 36 3HD ARG 36 6.852 13.386 -5.016 260 HE ARG 36 HE ARG 36 8.881 15.345 -4.795 261 HH11 ARG 36 1HH1 ARG 36 8.356 11.909 -4.609 262 HH12 ARG 36 2HH1 ARG 36 9.971 11.505 -5.089 263 HH21 ARG 36 1HH2 ARG 36 11.010 14.825 -5.429 264 HH22 ARG 36 2HH2 ARG 36 11.479 13.164 -5.555 265 H TRP 37 H TRP 37 5.615 18.537 -2.063 266 HA TRP 37 HA TRP 37 6.282 18.778 0.605 267 HB2 TRP 37 2HB TRP 37 6.828 20.568 -0.862 268 HB3 TRP 37 3HB TRP 37 5.146 20.791 -1.333 269 HD1 TRP 37 HD1 TRP 37 7.685 21.886 1.215 270 HE1 TRP 37 HE1 TRP 37 6.616 23.591 2.820 271 HE3 TRP 37 HE3 TRP 37 2.794 21.352 -0.173 272 HZ2 TRP 37 HZ2 TRP 37 4.041 24.578 3.419 273 HZ3 TRP 37 HZ3 TRP 37 1.089 22.714 0.966 274 HH2 TRP 37 HH2 TRP 37 1.702 24.292 2.724 275 H ALA 38 H ALA 38 3.124 18.769 -0.889 276 HA ALA 38 HA ALA 38 1.759 19.658 1.494 277 HB1 ALA 38 1HB ALA 38 0.190 20.162 0.010 278 HB2 ALA 38 2HB ALA 38 1.105 19.350 -1.260 279 HB3 ALA 38 3HB ALA 38 -0.062 18.444 -0.298 280 H ILE 39 H ILE 39 1.478 16.659 -0.424 281 HA ILE 39 HA ILE 39 0.108 15.137 1.411 282 HB ILE 39 HB ILE 39 0.635 14.451 -0.928 283 HG12 ILE 39 2HG1 ILE 39 1.434 12.351 1.092 284 HG13 ILE 39 3HG1 ILE 39 -0.226 12.888 0.860 285 HG21 ILE 39 1HG2 ILE 39 3.251 13.429 0.129 286 HG22 ILE 39 2HG2 ILE 39 2.708 13.548 -1.543 287 HG23 ILE 39 3HG2 ILE 39 3.109 15.009 -0.641 288 HD11 ILE 39 1HD1 ILE 39 0.359 10.778 -0.314 289 HD12 ILE 39 2HD1 ILE 39 -0.254 12.050 -1.371 290 HD13 ILE 39 3HD1 ILE 39 1.474 11.705 -1.317 291 H ARG 40 H ARG 40 3.528 15.888 1.320 292 HA ARG 40 HA ARG 40 4.269 13.979 3.324 293 HB2 ARG 40 2HB ARG 40 5.856 14.833 1.620 294 HB3 ARG 40 3HB ARG 40 5.766 16.423 2.364 295 HG2 ARG 40 2HG ARG 40 6.893 15.719 4.285 296 HG3 ARG 40 3HG ARG 40 6.618 14.013 3.925 297 HD2 ARG 40 2HD ARG 40 8.046 14.363 1.860 298 HD3 ARG 40 3HD ARG 40 8.487 15.926 2.547 299 HE ARG 40 HE ARG 40 9.464 13.362 3.343 300 HH11 ARG 40 1HH1 ARG 40 8.748 16.577 4.469 301 HH12 ARG 40 2HH1 ARG 40 9.890 16.516 5.771 302 HH21 ARG 40 1HH2 ARG 40 10.971 13.269 5.052 303 HH22 ARG 40 2HH2 ARG 40 11.155 14.635 6.101 304 H MET 41 H MET 41 4.077 17.544 3.324 305 HA MET 41 HA MET 41 4.552 17.952 6.024 306 HB2 MET 41 2HB MET 41 3.028 19.497 3.954 307 HB3 MET 41 3HB MET 41 3.030 20.038 5.628 308 HG2 MET 41 2HG MET 41 5.637 19.433 4.345 309 HG3 MET 41 3HG MET 41 4.795 20.908 3.879 310 HE1 MET 41 1HE MET 41 7.493 19.813 5.489 311 HE2 MET 41 2HE MET 41 7.682 21.557 5.300 312 HE3 MET 41 3HE MET 41 7.779 20.827 6.903 313 H ALA 42 H ALA 42 1.527 17.205 4.367 314 HA ALA 42 HA ALA 42 -0.146 17.529 6.639 315 HB1 ALA 42 1HB ALA 42 -0.575 15.985 4.086 316 HB2 ALA 42 2HB ALA 42 -1.820 16.298 5.296 317 HB3 ALA 42 3HB ALA 42 -1.083 17.640 4.423 318 H ASN 43 H ASN 43 1.436 14.724 5.158 319 HA ASN 43 HA ASN 43 0.312 12.742 6.781 320 HB2 ASN 43 2HB ASN 43 2.707 12.968 5.048 321 HB3 ASN 43 3HB ASN 43 2.736 11.683 6.251 322 HD21 ASN 43 1HD2 ASN 43 2.839 10.710 3.899 323 HD22 ASN 43 2HD2 ASN 43 1.320 10.126 3.318 324 H VAL 44 H VAL 44 3.407 14.469 7.142 325 HA VAL 44 HA VAL 44 4.161 13.277 9.569 326 HB VAL 44 HB VAL 44 4.876 16.024 8.535 327 HG11 VAL 44 1HG1 VAL 44 6.993 15.098 10.018 328 HG12 VAL 44 2HG1 VAL 44 5.796 16.277 10.557 329 HG13 VAL 44 3HG1 VAL 44 5.597 14.570 10.956 330 HG21 VAL 44 1HG2 VAL 44 5.783 14.756 6.896 331 HG22 VAL 44 2HG2 VAL 44 7.058 14.522 8.092 332 HG23 VAL 44 3HG2 VAL 44 5.806 13.298 7.888 333 H SER 45 H SER 45 2.154 16.074 8.857 334 HA SER 45 HA SER 45 2.012 17.121 11.469 335 HB2 SER 45 2HB SER 45 0.097 17.313 9.136 336 HB3 SER 45 3HB SER 45 -0.104 18.215 10.638 337 HG SER 45 HG SER 45 1.016 19.559 9.338 338 H THR 46 H THR 46 0.460 14.433 9.948 339 HA THR 46 HA THR 46 -1.491 14.185 12.116 340 HB THR 46 HB THR 46 -2.198 12.127 10.692 341 HG1 THR 46 HG1 THR 46 -0.971 13.618 8.619 342 HG21 THR 46 1HG2 THR 46 -3.793 13.424 9.642 343 HG22 THR 46 2HG2 THR 46 -2.650 14.714 9.266 344 HG23 THR 46 3HG2 THR 46 -3.246 14.516 10.913 345 H GLY 47 H GLY 47 1.453 13.712 12.400 346 HA2 GLY 47 2HA GLY 47 2.867 12.205 13.404 347 HA3 GLY 47 3HA GLY 47 1.416 11.606 14.193 348 H ARG 48 H ARG 48 1.752 11.502 10.729 349 HA ARG 48 HA ARG 48 1.742 8.578 10.868 350 HB2 ARG 48 2HB ARG 48 0.274 10.366 9.344 351 HB3 ARG 48 3HB ARG 48 1.474 9.754 8.214 352 HG2 ARG 48 2HG ARG 48 -0.285 8.285 7.943 353 HG3 ARG 48 3HG ARG 48 0.763 7.427 9.075 354 HD2 ARG 48 2HD ARG 48 -0.657 7.756 10.850 355 HD3 ARG 48 3HD ARG 48 -1.360 9.214 10.154 356 HE ARG 48 HE ARG 48 -1.964 6.811 8.691 357 HH11 ARG 48 1HH1 ARG 48 -2.917 8.896 11.310 358 HH12 ARG 48 2HH1 ARG 48 -4.574 8.390 11.283 359 HH21 ARG 48 1HH2 ARG 48 -4.142 6.136 8.645 360 HH22 ARG 48 2HH2 ARG 48 -5.270 6.819 9.768 361 H GLU 49 H GLU 49 3.158 7.310 9.608 362 HA GLU 49 HA GLU 49 5.822 8.026 9.630 363 HB2 GLU 49 2HB GLU 49 4.249 5.914 8.243 364 HB3 GLU 49 3HB GLU 49 5.900 6.185 7.702 365 HG2 GLU 49 2HG GLU 49 6.394 4.683 9.286 366 HG3 GLU 49 3HG GLU 49 6.289 6.076 10.362 367 HA PRO 50 HA PRO 50 6.642 10.547 6.136 368 HB2 PRO 50 2HB PRO 50 9.023 9.581 5.258 369 HB3 PRO 50 3HB PRO 50 8.856 10.515 6.749 370 HG2 PRO 50 2HG PRO 50 9.050 7.550 6.384 371 HG3 PRO 50 3HG PRO 50 9.840 8.583 7.589 372 HD2 PRO 50 2HD PRO 50 7.633 7.118 8.149 373 HD3 PRO 50 3HD PRO 50 7.961 8.683 8.920 374 H GLY 51 H GLY 51 7.225 7.091 5.493 375 HA2 GLY 51 2HA GLY 51 6.677 7.464 2.662 376 HA3 GLY 51 3HA GLY 51 7.149 5.964 3.446 377 H ASP 52 H ASP 52 4.438 8.204 3.998 378 HA ASP 52 HA ASP 52 2.623 5.927 4.071 379 HB2 ASP 52 2HB ASP 52 2.640 8.645 5.158 380 HB3 ASP 52 3HB ASP 52 1.081 8.174 4.485 381 H ILE 53 H ILE 53 2.143 5.262 2.048 382 HA ILE 53 HA ILE 53 1.166 7.290 0.146 383 HB ILE 53 HB ILE 53 2.255 4.546 -0.494 384 HG12 ILE 53 2HG1 ILE 53 4.032 6.004 0.313 385 HG13 ILE 53 3HG1 ILE 53 4.192 5.776 -1.425 386 HG21 ILE 53 1HG2 ILE 53 2.297 6.236 -2.736 387 HG22 ILE 53 2HG2 ILE 53 1.279 4.821 -2.467 388 HG23 ILE 53 3HG2 ILE 53 0.703 6.422 -2.003 389 HD11 ILE 53 1HD1 ILE 53 2.632 8.041 -1.200 390 HD12 ILE 53 2HD1 ILE 53 3.815 8.201 0.099 391 HD13 ILE 53 3HD1 ILE 53 4.357 7.979 -1.564 392 HA PRO 54 HA PRO 54 -2.487 4.710 1.398 393 HB2 PRO 54 2HB PRO 54 -4.180 6.817 1.652 394 HB3 PRO 54 3HB PRO 54 -3.136 6.260 2.965 395 HG2 PRO 54 2HG PRO 54 -2.738 8.540 1.066 396 HG3 PRO 54 3HG PRO 54 -2.450 8.477 2.814 397 HD2 PRO 54 2HD PRO 54 -0.454 8.246 0.999 398 HD3 PRO 54 3HD PRO 54 -0.418 7.416 2.569 399 H GLU 55 H GLU 55 -4.199 4.114 0.098 400 HA GLU 55 HA GLU 55 -4.692 5.666 -2.338 401 HB2 GLU 55 2HB GLU 55 -3.010 3.763 -2.705 402 HB3 GLU 55 3HB GLU 55 -4.367 2.675 -2.449 403 HG2 GLU 55 2HG GLU 55 -5.160 4.636 -4.337 404 HG3 GLU 55 3HG GLU 55 -3.586 4.010 -4.821 405 H THR 56 H THR 56 -6.359 5.732 -0.216 406 HA THR 56 HA THR 56 -8.734 4.443 -1.288 407 HB THR 56 HB THR 56 -9.444 3.503 0.849 408 HG1 THR 56 HG1 THR 56 -8.342 3.835 2.652 409 HG21 THR 56 1HG2 THR 56 -8.132 2.107 -0.732 410 HG22 THR 56 2HG2 THR 56 -7.941 1.614 0.950 411 HG23 THR 56 3HG2 THR 56 -6.669 2.538 0.151 412 H LEU 57 H LEU 57 -10.539 5.649 -1.017 413 HA LEU 57 HA LEU 57 -10.406 8.333 -0.391 414 HB2 LEU 57 2HB LEU 57 -12.390 6.502 -1.181 415 HB3 LEU 57 3HB LEU 57 -13.021 7.334 0.239 416 HG LEU 57 HG LEU 57 -13.717 8.379 -1.882 417 HD11 LEU 57 1HD1 LEU 57 -12.896 10.705 -1.292 418 HD12 LEU 57 2HD1 LEU 57 -11.964 9.939 -0.006 419 HD13 LEU 57 3HD1 LEU 57 -13.723 9.812 -0.016 420 HD21 LEU 57 1HD2 LEU 57 -11.183 7.857 -2.739 421 HD22 LEU 57 2HD2 LEU 57 -11.095 9.583 -2.389 422 HD23 LEU 57 3HD2 LEU 57 -12.304 8.973 -3.518 423 H ASP 58 H ASP 58 -10.931 5.601 1.719 424 HA ASP 58 HA ASP 58 -11.838 7.097 3.969 425 HB2 ASP 58 2HB ASP 58 -10.485 4.399 4.046 426 HB3 ASP 58 3HB ASP 58 -11.627 5.067 5.208 427 H GLN 59 H GLN 59 -8.687 5.856 2.940 428 HA GLN 59 HA GLN 59 -7.239 6.573 5.232 429 HB2 GLN 59 2HB GLN 59 -6.540 5.986 2.393 430 HB3 GLN 59 3HB GLN 59 -5.315 6.726 3.415 431 HG2 GLN 59 2HG GLN 59 -5.543 4.881 5.009 432 HG3 GLN 59 3HG GLN 59 -6.747 4.135 3.960 433 HE21 GLN 59 1HE2 GLN 59 -6.070 3.433 1.856 434 HE22 GLN 59 2HE2 GLN 59 -4.429 2.964 1.590 435 H LEU 60 H LEU 60 -7.828 8.346 2.215 436 HA LEU 60 HA LEU 60 -6.320 10.633 2.977 437 HB2 LEU 60 2HB LEU 60 -8.548 10.473 0.955 438 HB3 LEU 60 3HB LEU 60 -7.290 11.704 1.050 439 HG LEU 60 HG LEU 60 -6.081 9.119 0.782 440 HD11 LEU 60 1HD1 LEU 60 -8.501 8.934 -0.333 441 HD12 LEU 60 2HD1 LEU 60 -7.070 8.155 -1.007 442 HD13 LEU 60 3HD1 LEU 60 -7.630 9.691 -1.668 443 HD21 LEU 60 1HD2 LEU 60 -5.447 10.342 -1.470 444 HD22 LEU 60 2HD2 LEU 60 -4.763 10.845 0.076 445 HD23 LEU 60 3HD2 LEU 60 -6.114 11.738 -0.623 446 H ARG 61 H ARG 61 -9.826 10.012 2.831 447 HA ARG 61 HA ARG 61 -10.743 12.438 3.773 448 HB2 ARG 61 2HB ARG 61 -12.280 10.783 2.939 449 HB3 ARG 61 3HB ARG 61 -11.845 9.663 4.223 450 HG2 ARG 61 2HG ARG 61 -12.793 11.247 5.869 451 HG3 ARG 61 3HG ARG 61 -13.316 12.271 4.531 452 HD2 ARG 61 2HD ARG 61 -15.225 11.059 4.889 453 HD3 ARG 61 3HD ARG 61 -14.426 10.040 3.692 454 HE ARG 61 HE ARG 61 -13.664 9.242 6.287 455 HH11 ARG 61 1HH1 ARG 61 -16.388 9.184 4.118 456 HH12 ARG 61 2HH1 ARG 61 -17.066 7.742 4.800 457 HH21 ARG 61 1HH2 ARG 61 -14.547 7.343 7.192 458 HH22 ARG 61 2HH2 ARG 61 -16.019 6.696 6.549 459 H LEU 62 H LEU 62 -9.259 9.814 5.525 460 HA LEU 62 HA LEU 62 -10.019 10.727 8.127 461 HB2 LEU 62 2HB LEU 62 -8.487 8.542 6.980 462 HB3 LEU 62 3HB LEU 62 -7.740 9.185 8.442 463 HG LEU 62 HG LEU 62 -9.140 7.311 9.009 464 HD11 LEU 62 1HD1 LEU 62 -11.004 9.240 10.046 465 HD12 LEU 62 2HD1 LEU 62 -9.356 9.864 10.122 466 HD13 LEU 62 3HD1 LEU 62 -9.749 8.325 10.885 467 HD21 LEU 62 1HD2 LEU 62 -11.716 7.816 8.662 468 HD22 LEU 62 2HD2 LEU 62 -10.754 6.999 7.430 469 HD23 LEU 62 3HD2 LEU 62 -11.101 8.723 7.281 470 H VAL 63 H VAL 63 -6.894 10.695 6.405 471 HA VAL 63 HA VAL 63 -5.456 12.202 8.257 472 HB VAL 63 HB VAL 63 -5.071 12.102 5.262 473 HG11 VAL 63 1HG1 VAL 63 -3.500 13.642 5.590 474 HG12 VAL 63 2HG1 VAL 63 -3.701 13.563 7.341 475 HG13 VAL 63 3HG1 VAL 63 -2.613 12.438 6.525 476 HG21 VAL 63 1HG2 VAL 63 -3.553 10.301 5.641 477 HG22 VAL 63 2HG2 VAL 63 -3.680 10.486 7.391 478 HG23 VAL 63 3HG2 VAL 63 -5.062 9.903 6.462 479 H ILE 64 H ILE 64 -7.712 13.189 5.793 480 HA ILE 64 HA ILE 64 -6.965 15.953 5.793 481 HB ILE 64 HB ILE 64 -9.506 14.628 4.837 482 HG12 ILE 64 2HG1 ILE 64 -7.395 15.725 3.030 483 HG13 ILE 64 3HG1 ILE 64 -7.117 14.163 3.793 484 HG21 ILE 64 1HG2 ILE 64 -8.460 17.414 4.351 485 HG22 ILE 64 2HG2 ILE 64 -9.867 16.700 3.568 486 HG23 ILE 64 3HG2 ILE 64 -9.875 16.981 5.309 487 HD11 ILE 64 1HD1 ILE 64 -8.060 13.843 1.611 488 HD12 ILE 64 2HD1 ILE 64 -9.240 13.360 2.831 489 HD13 ILE 64 3HD1 ILE 64 -9.413 14.906 1.999 490 H CYS 65 H CYS 65 -9.752 14.173 7.125 491 HA CYS 65 HA CYS 65 -10.931 16.354 8.432 492 HB2 CYS 65 2HB CYS 65 -12.180 14.319 8.064 493 HB3 CYS 65 3HB CYS 65 -11.052 13.398 9.051 494 HG CYS 65 HG CYS 65 -12.408 15.934 10.725 495 H ASP 66 H ASP 66 -8.678 13.889 9.644 496 HA ASP 66 HA ASP 66 -8.548 14.786 12.291 497 HB2 ASP 66 2HB ASP 66 -6.374 13.434 10.677 498 HB3 ASP 66 3HB ASP 66 -6.447 13.531 12.435 499 H LEU 67 H LEU 67 -6.385 15.508 9.554 500 HA LEU 67 HA LEU 67 -4.763 17.335 10.969 501 HB2 LEU 67 2HB LEU 67 -4.160 16.189 8.840 502 HB3 LEU 67 3HB LEU 67 -5.285 17.255 8.002 503 HG LEU 67 HG LEU 67 -3.928 19.177 8.520 504 HD11 LEU 67 1HD1 LEU 67 -1.749 18.890 9.674 505 HD12 LEU 67 2HD1 LEU 67 -2.227 17.245 10.086 506 HD13 LEU 67 3HD1 LEU 67 -3.145 18.613 10.715 507 HD21 LEU 67 1HD2 LEU 67 -3.318 17.964 6.526 508 HD22 LEU 67 2HD2 LEU 67 -2.303 16.867 7.462 509 HD23 LEU 67 3HD2 LEU 67 -1.859 18.567 7.312 510 H GLN 68 H GLN 68 -7.854 17.631 9.453 511 HA GLN 68 HA GLN 68 -7.817 20.471 9.144 512 HB2 GLN 68 2HB GLN 68 -9.294 19.019 7.811 513 HB3 GLN 68 3HB GLN 68 -10.165 18.572 9.272 514 HG2 GLN 68 2HG GLN 68 -10.309 21.289 9.353 515 HG3 GLN 68 3HG GLN 68 -10.364 20.973 7.619 516 HE21 GLN 68 1HE2 GLN 68 -12.473 21.477 7.288 517 HE22 GLN 68 2HE2 GLN 68 -13.792 20.587 7.959 518 H GLU 69 H GLU 69 -9.746 18.411 11.332 519 HA GLU 69 HA GLU 69 -10.689 20.404 12.993 520 HB2 GLU 69 2HB GLU 69 -11.222 17.868 12.939 521 HB3 GLU 69 3HB GLU 69 -9.899 17.719 14.086 522 HG2 GLU 69 2HG GLU 69 -11.100 18.560 15.775 523 HG3 GLU 69 3HG GLU 69 -11.857 19.787 14.761 524 H ARG 70 H ARG 70 -7.587 18.751 13.056 525 HA ARG 70 HA ARG 70 -6.710 19.698 15.564 526 HB2 ARG 70 2HB ARG 70 -5.231 18.739 13.119 527 HB3 ARG 70 3HB ARG 70 -4.399 19.228 14.589 528 HG2 ARG 70 2HG ARG 70 -5.346 17.465 15.833 529 HG3 ARG 70 3HG ARG 70 -6.528 17.111 14.570 530 HD2 ARG 70 2HD ARG 70 -4.970 16.076 13.218 531 HD3 ARG 70 3HD ARG 70 -3.614 16.931 13.952 532 HE ARG 70 HE ARG 70 -3.417 15.210 15.428 533 HH11 ARG 70 1HH1 ARG 70 -6.659 15.210 14.161 534 HH12 ARG 70 2HH1 ARG 70 -7.119 13.753 14.979 535 HH21 ARG 70 1HH2 ARG 70 -4.010 13.292 16.510 536 HH22 ARG 70 2HH2 ARG 70 -5.611 12.664 16.316 537 H ARG 71 H ARG 71 -5.779 20.804 12.299 538 HA ARG 71 HA ARG 71 -4.384 23.078 13.130 539 HB2 ARG 71 2HB ARG 71 -4.287 22.072 10.851 540 HB3 ARG 71 3HB ARG 71 -5.888 22.725 10.533 541 HG2 ARG 71 2HG ARG 71 -4.090 24.095 9.573 542 HG3 ARG 71 3HG ARG 71 -5.063 24.979 10.750 543 HD2 ARG 71 2HD ARG 71 -2.808 23.641 11.986 544 HD3 ARG 71 3HD ARG 71 -2.297 24.752 10.715 545 HE ARG 71 HE ARG 71 -4.199 25.993 12.399 546 HH11 ARG 71 1HH1 ARG 71 -0.874 24.963 12.320 547 HH12 ARG 71 2HH1 ARG 71 -0.340 26.156 13.456 548 HH21 ARG 71 1HH2 ARG 71 -3.508 27.570 13.896 549 HH22 ARG 71 2HH2 ARG 71 -1.840 27.638 14.353 550 H GLU 72 H GLU 72 -7.800 22.576 12.479 551 HA GLU 72 HA GLU 72 -8.668 25.216 12.369 552 HB2 GLU 72 2HB GLU 72 -9.939 22.922 12.086 553 HB3 GLU 72 3HB GLU 72 -10.326 23.169 13.783 554 HG2 GLU 72 2HG GLU 72 -12.128 24.045 12.550 555 HG3 GLU 72 3HG GLU 72 -11.214 25.430 13.144 556 H LYS 73 H LYS 73 -8.530 23.074 15.216 557 HA LYS 73 HA LYS 73 -9.275 25.069 17.073 558 HB2 LYS 73 2HB LYS 73 -8.154 22.324 17.214 559 HB3 LYS 73 3HB LYS 73 -7.943 23.340 18.635 560 HG2 LYS 73 2HG LYS 73 -10.466 23.772 18.452 561 HG3 LYS 73 3HG LYS 73 -10.481 22.372 17.376 562 HD2 LYS 73 2HD LYS 73 -9.014 21.982 19.892 563 HD3 LYS 73 3HD LYS 73 -10.750 22.248 20.078 564 HE2 LYS 73 2HE LYS 73 -9.953 20.360 17.957 565 HE3 LYS 73 3HE LYS 73 -9.633 19.837 19.611 566 HZ1 LYS 73 1HZ LYS 73 -11.985 19.553 18.335 567 HZ2 LYS 73 2HZ LYS 73 -12.254 20.974 19.212 568 HZ3 LYS 73 3HZ LYS 73 -11.800 19.556 20.017 569 H PHE 74 H PHE 74 -6.262 24.239 15.585 570 HA PHE 74 HA PHE 74 -4.630 25.614 17.523 571 HB2 PHE 74 2HB PHE 74 -4.163 24.122 14.995 572 HB3 PHE 74 3HB PHE 74 -2.959 25.325 15.447 573 HD1 PHE 74 HD1 PHE 74 -1.153 24.530 16.600 574 HD2 PHE 74 HD2 PHE 74 -4.925 22.631 17.131 575 HE1 PHE 74 HE1 PHE 74 -0.119 22.916 18.142 576 HE2 PHE 74 HE2 PHE 74 -3.898 21.015 18.675 577 HZ PHE 74 HZ PHE 74 -1.492 21.156 19.184 578 H GLY 75 H GLY 75 -6.438 26.462 14.741 579 HA2 GLY 75 2HA GLY 75 -6.900 28.830 14.418 580 HA3 GLY 75 3HA GLY 75 -5.214 29.147 14.799 581 H SER 76 H SER 76 -5.404 30.391 12.748 582 HA SER 76 HA SER 76 -5.650 28.955 10.283 583 HB2 SER 76 2HB SER 76 -5.918 31.569 10.932 584 HB3 SER 76 3HB SER 76 -4.282 31.584 10.274 585 HG SER 76 HG SER 76 -6.608 30.596 8.977 586 H SER 77 H SER 77 -3.971 28.752 8.673 587 HA SER 77 HA SER 77 -1.251 29.185 9.131 588 HB2 SER 77 2HB SER 77 -0.814 27.582 10.663 589 HB3 SER 77 3HB SER 77 -2.338 26.751 10.360 590 HG SER 77 HG SER 77 -0.568 25.468 9.736 591 H LYS 78 H LYS 78 -0.885 29.586 7.039 592 HA LYS 78 HA LYS 78 -2.126 28.327 4.869 593 HB2 LYS 78 2HB LYS 78 0.215 30.110 5.240 594 HB3 LYS 78 3HB LYS 78 0.151 29.203 3.734 595 HG2 LYS 78 2HG LYS 78 -2.142 30.874 4.720 596 HG3 LYS 78 3HG LYS 78 -0.853 31.516 3.699 597 HD2 LYS 78 2HD LYS 78 -1.529 30.329 1.863 598 HD3 LYS 78 3HD LYS 78 -2.214 29.020 2.829 599 HE2 LYS 78 2HE LYS 78 -4.228 29.912 2.547 600 HE3 LYS 78 3HE LYS 78 -3.695 31.338 3.436 601 HZ1 LYS 78 1HZ LYS 78 -2.684 31.942 1.109 602 HZ2 LYS 78 2HZ LYS 78 -4.301 32.283 1.473 603 HZ3 LYS 78 3HZ LYS 78 -3.913 30.922 0.547 604 H GLU 79 H GLU 79 0.452 27.295 6.879 605 HA GLU 79 HA GLU 79 1.800 25.587 5.071 606 HB2 GLU 79 2HB GLU 79 1.573 25.438 8.083 607 HB3 GLU 79 3HB GLU 79 2.705 24.508 7.112 608 HG2 GLU 79 2HG GLU 79 3.956 26.390 6.545 609 HG3 GLU 79 3HG GLU 79 2.664 27.499 7.005 610 H ILE 80 H ILE 80 -0.344 24.662 7.770 611 HA ILE 80 HA ILE 80 -0.763 22.041 6.743 612 HB ILE 80 HB ILE 80 -2.306 23.552 8.854 613 HG12 ILE 80 2HG1 ILE 80 -0.083 21.512 9.085 614 HG13 ILE 80 3HG1 ILE 80 0.067 23.237 9.406 615 HG21 ILE 80 1HG2 ILE 80 -2.428 20.758 9.244 616 HG22 ILE 80 2HG2 ILE 80 -3.746 21.867 8.866 617 HG23 ILE 80 3HG2 ILE 80 -2.861 21.073 7.564 618 HD11 ILE 80 1HD1 ILE 80 -0.574 21.221 11.217 619 HD12 ILE 80 2HD1 ILE 80 -0.628 22.964 11.487 620 HD13 ILE 80 3HD1 ILE 80 -2.074 22.109 10.951 621 H ASP 81 H ASP 81 -2.573 25.057 6.606 622 HA ASP 81 HA ASP 81 -5.008 24.125 5.649 623 HB2 ASP 81 2HB ASP 81 -4.748 26.431 6.312 624 HB3 ASP 81 3HB ASP 81 -3.555 26.707 5.046 625 H MET 82 H MET 82 -2.111 25.071 3.820 626 HA MET 82 HA MET 82 -3.218 24.532 1.269 627 HB2 MET 82 2HB MET 82 -1.227 25.981 1.692 628 HB3 MET 82 3HB MET 82 -0.300 24.532 2.056 629 HG2 MET 82 2HG MET 82 -0.007 24.036 -0.096 630 HG3 MET 82 3HG MET 82 -1.681 24.405 -0.504 631 HE1 MET 82 1HE MET 82 0.789 24.635 -2.087 632 HE2 MET 82 2HE MET 82 -0.053 25.823 -3.083 633 HE3 MET 82 3HE MET 82 1.500 26.228 -2.351 634 H ALA 83 H ALA 83 -1.099 22.647 3.410 635 HA ALA 83 HA ALA 83 -0.674 20.441 1.789 636 HB1 ALA 83 1HB ALA 83 0.331 20.982 4.074 637 HB2 ALA 83 2HB ALA 83 -1.091 20.188 4.749 638 HB3 ALA 83 3HB ALA 83 0.008 19.288 3.707 639 H ILE 84 H ILE 84 -3.368 21.091 4.002 640 HA ILE 84 HA ILE 84 -4.675 18.622 3.702 641 HB ILE 84 HB ILE 84 -5.847 21.331 4.342 642 HG12 ILE 84 2HG1 ILE 84 -5.402 19.147 6.336 643 HG13 ILE 84 3HG1 ILE 84 -4.030 20.126 5.831 644 HG21 ILE 84 1HG2 ILE 84 -7.112 18.805 3.823 645 HG22 ILE 84 2HG2 ILE 84 -7.386 19.295 5.495 646 HG23 ILE 84 3HG2 ILE 84 -7.843 20.371 4.176 647 HD11 ILE 84 1HD1 ILE 84 -5.013 22.099 6.669 648 HD12 ILE 84 2HD1 ILE 84 -6.578 21.313 6.885 649 HD13 ILE 84 3HD1 ILE 84 -5.218 20.868 7.916 650 H VAL 85 H VAL 85 -5.224 21.733 2.056 651 HA VAL 85 HA VAL 85 -7.321 21.025 0.413 652 HB VAL 85 HB VAL 85 -5.007 22.809 -0.359 653 HG11 VAL 85 1HG1 VAL 85 -6.426 22.192 -2.249 654 HG12 VAL 85 2HG1 VAL 85 -7.853 22.725 -1.358 655 HG13 VAL 85 3HG1 VAL 85 -6.622 23.895 -1.837 656 HG21 VAL 85 1HG2 VAL 85 -5.706 24.264 1.164 657 HG22 VAL 85 2HG2 VAL 85 -7.328 24.240 0.472 658 HG23 VAL 85 3HG2 VAL 85 -6.890 23.087 1.732 659 H THR 86 H THR 86 -3.887 20.367 0.008 660 HA THR 86 HA THR 86 -4.050 19.394 -2.651 661 HB THR 86 HB THR 86 -1.993 18.911 -0.492 662 HG1 THR 86 HG1 THR 86 -1.510 20.881 -1.112 663 HG21 THR 86 1HG2 THR 86 -2.258 17.805 -3.225 664 HG22 THR 86 2HG2 THR 86 -1.451 17.139 -1.805 665 HG23 THR 86 3HG2 THR 86 -0.662 18.393 -2.763 666 H LEU 87 H LEU 87 -4.021 17.772 0.509 667 HA LEU 87 HA LEU 87 -4.069 15.137 -0.394 668 HB2 LEU 87 2HB LEU 87 -4.016 16.319 2.031 669 HB3 LEU 87 3HB LEU 87 -5.682 15.743 2.000 670 HG LEU 87 HG LEU 87 -4.173 14.176 3.131 671 HD11 LEU 87 1HD1 LEU 87 -5.247 13.138 0.513 672 HD12 LEU 87 2HD1 LEU 87 -6.168 13.335 2.004 673 HD13 LEU 87 3HD1 LEU 87 -4.850 12.166 1.931 674 HD21 LEU 87 1HD2 LEU 87 -2.409 13.056 2.021 675 HD22 LEU 87 2HD2 LEU 87 -2.183 14.776 1.699 676 HD23 LEU 87 3HD2 LEU 87 -2.870 13.728 0.457 677 H LYS 88 H LYS 88 -6.681 17.453 0.046 678 HA LYS 88 HA LYS 88 -8.787 15.583 -0.411 679 HB2 LYS 88 2HB LYS 88 -8.764 18.600 -0.608 680 HB3 LYS 88 3HB LYS 88 -10.209 17.599 -0.640 681 HG2 LYS 88 2HG LYS 88 -10.015 17.024 1.601 682 HG3 LYS 88 3HG LYS 88 -8.306 17.462 1.664 683 HD2 LYS 88 2HD LYS 88 -8.861 19.487 2.393 684 HD3 LYS 88 3HD LYS 88 -9.762 19.773 0.902 685 HE2 LYS 88 2HE LYS 88 -11.752 19.413 1.891 686 HE3 LYS 88 3HE LYS 88 -11.136 18.084 2.873 687 HZ1 LYS 88 1HZ LYS 88 -11.822 20.450 3.867 688 HZ2 LYS 88 2HZ LYS 88 -10.180 20.733 3.580 689 HZ3 LYS 88 3HZ LYS 88 -10.655 19.451 4.576 690 H VAL 89 H VAL 89 -7.670 18.319 -2.414 691 HA VAL 89 HA VAL 89 -9.041 17.702 -4.725 692 HB VAL 89 HB VAL 89 -7.746 19.791 -4.359 693 HG11 VAL 89 1HG1 VAL 89 -5.342 18.148 -5.139 694 HG12 VAL 89 2HG1 VAL 89 -5.379 19.866 -4.735 695 HG13 VAL 89 3HG1 VAL 89 -5.703 18.658 -3.491 696 HG21 VAL 89 1HG2 VAL 89 -8.131 20.015 -6.536 697 HG22 VAL 89 2HG2 VAL 89 -6.556 19.285 -6.851 698 HG23 VAL 89 3HG2 VAL 89 -8.000 18.274 -6.784 699 H PHE 90 H PHE 90 -6.104 16.288 -3.467 700 HA PHE 90 HA PHE 90 -5.440 14.892 -5.889 701 HB2 PHE 90 2HB PHE 90 -3.676 15.498 -4.326 702 HB3 PHE 90 3HB PHE 90 -4.440 14.549 -3.055 703 HD1 PHE 90 HD1 PHE 90 -2.639 14.369 -6.261 704 HD2 PHE 90 HD2 PHE 90 -4.136 12.201 -2.918 705 HE1 PHE 90 HE1 PHE 90 -1.337 12.401 -6.959 706 HE2 PHE 90 HE2 PHE 90 -2.836 10.231 -3.610 707 HZ PHE 90 HZ PHE 90 -1.433 10.329 -5.631 708 H ALA 91 H ALA 91 -7.215 14.189 -2.952 709 HA ALA 91 HA ALA 91 -7.406 11.378 -3.351 710 HB1 ALA 91 1HB ALA 91 -8.017 11.614 -1.224 711 HB2 ALA 91 2HB ALA 91 -8.382 13.325 -1.445 712 HB3 ALA 91 3HB ALA 91 -9.601 12.108 -1.823 713 H VAL 92 H VAL 92 -9.648 14.071 -3.972 714 HA VAL 92 HA VAL 92 -11.674 12.441 -5.119 715 HB VAL 92 HB VAL 92 -11.226 15.401 -5.521 716 HG11 VAL 92 1HG1 VAL 92 -12.938 15.220 -6.932 717 HG12 VAL 92 2HG1 VAL 92 -13.219 13.536 -6.485 718 HG13 VAL 92 3HG1 VAL 92 -13.944 14.836 -5.537 719 HG21 VAL 92 1HG2 VAL 92 -11.367 15.064 -3.187 720 HG22 VAL 92 2HG2 VAL 92 -12.975 15.578 -3.697 721 HG23 VAL 92 3HG2 VAL 92 -12.659 13.876 -3.359 722 H ALA 93 H ALA 93 -9.243 14.609 -6.558 723 HA ALA 93 HA ALA 93 -9.918 13.916 -9.241 724 HB1 ALA 93 1HB ALA 93 -7.248 15.041 -8.544 725 HB2 ALA 93 2HB ALA 93 -8.318 15.425 -9.892 726 HB3 ALA 93 3HB ALA 93 -8.689 16.021 -8.274 727 H GLY 94 H GLY 94 -8.101 12.376 -6.815 728 HA2 GLY 94 2HA GLY 94 -6.524 10.846 -8.766 729 HA3 GLY 94 3HA GLY 94 -6.256 10.880 -7.030 730 H LEU 95 H LEU 95 -7.899 9.821 -5.669 731 HA LEU 95 HA LEU 95 -8.376 7.192 -6.487 732 HB2 LEU 95 2HB LEU 95 -9.457 8.868 -4.248 733 HB3 LEU 95 3HB LEU 95 -10.002 7.210 -4.492 734 HG LEU 95 HG LEU 95 -8.311 7.242 -2.788 735 HD11 LEU 95 1HD1 LEU 95 -6.759 5.649 -3.688 736 HD12 LEU 95 2HD1 LEU 95 -7.087 6.190 -5.334 737 HD13 LEU 95 3HD1 LEU 95 -8.343 5.365 -4.410 738 HD21 LEU 95 1HD2 LEU 95 -6.254 8.263 -4.696 739 HD22 LEU 95 2HD2 LEU 95 -6.261 8.279 -2.932 740 HD23 LEU 95 3HD2 LEU 95 -7.281 9.405 -3.828 741 H LEU 96 H LEU 96 -10.645 9.918 -6.194 742 HA LEU 96 HA LEU 96 -12.818 8.408 -7.319 743 HB2 LEU 96 2HB LEU 96 -12.530 10.790 -5.857 744 HB3 LEU 96 3HB LEU 96 -13.246 11.244 -7.403 745 HG LEU 96 HG LEU 96 -14.409 9.034 -5.737 746 HD11 LEU 96 1HD1 LEU 96 -15.001 10.473 -4.158 747 HD12 LEU 96 2HD1 LEU 96 -15.952 11.338 -5.366 748 HD13 LEU 96 3HD1 LEU 96 -14.286 11.819 -5.046 749 HD21 LEU 96 1HD2 LEU 96 -15.091 9.302 -8.104 750 HD22 LEU 96 2HD2 LEU 96 -15.644 10.935 -7.727 751 HD23 LEU 96 3HD2 LEU 96 -16.416 9.544 -6.963 752 H ASN 97 H ASN 97 -10.137 9.858 -8.631 753 HA ASN 97 HA ASN 97 -9.533 10.561 -10.713 754 HB2 ASN 97 2HB ASN 97 -11.673 8.523 -11.266 755 HB3 ASN 97 3HB ASN 97 -10.870 9.364 -12.588 756 HD21 ASN 97 1HD2 ASN 97 -10.816 6.663 -10.731 757 HD22 ASN 97 2HD2 ASN 97 -9.164 6.202 -10.938 758 H MET 98 H MET 98 -11.512 12.170 -9.297 759 HA MET 98 HA MET 98 -13.117 13.245 -11.505 760 HB2 MET 98 2HB MET 98 -13.956 12.677 -9.049 761 HB3 MET 98 3HB MET 98 -13.352 14.297 -8.725 762 HG2 MET 98 2HG MET 98 -15.002 15.295 -9.886 763 HG3 MET 98 3HG MET 98 -15.072 14.016 -11.097 764 HE1 MET 98 1HE MET 98 -17.898 15.252 -10.118 765 HE2 MET 98 2HE MET 98 -18.344 14.821 -8.466 766 HE3 MET 98 3HE MET 98 -16.933 15.839 -8.763 767 H THR 99 H THR 99 -11.525 14.373 -12.626 768 HA THR 99 HA THR 99 -9.632 16.101 -11.496 769 HB THR 99 HB THR 99 -10.818 16.644 -14.199 770 HG1 THR 99 HG1 THR 99 -10.328 14.684 -14.803 771 HG21 THR 99 1HG2 THR 99 -8.519 17.480 -12.763 772 HG22 THR 99 2HG2 THR 99 -8.994 17.903 -14.408 773 HG23 THR 99 3HG2 THR 99 -7.974 16.494 -14.120 774 H VAL 100 H VAL 100 -10.429 17.517 -9.995 775 HA VAL 100 HA VAL 100 -12.779 19.067 -10.351 776 HB VAL 100 HB VAL 100 -11.898 20.418 -8.433 777 HG11 VAL 100 1HG1 VAL 100 -13.253 18.770 -7.638 778 HG12 VAL 100 2HG1 VAL 100 -12.309 17.479 -8.386 779 HG13 VAL 100 3HG1 VAL 100 -11.733 18.252 -6.909 780 HG21 VAL 100 1HG2 VAL 100 -9.759 20.348 -7.831 781 HG22 VAL 100 2HG2 VAL 100 -9.803 18.590 -7.692 782 HG23 VAL 100 3HG2 VAL 100 -9.446 19.343 -9.247 783 H SER 101 H SER 101 -12.544 21.575 -10.043 784 HA SER 101 HA SER 101 -11.073 22.509 -12.373 785 HB2 SER 101 2HB SER 101 -13.384 23.457 -10.795 786 HB3 SER 101 3HB SER 101 -12.341 24.723 -11.440 787 HG SER 101 HG SER 101 -12.873 24.174 -13.439 788 H THR 102 H THR 102 -11.274 23.175 -8.900 789 HA THR 102 HA THR 102 -8.546 24.209 -8.979 790 HB THR 102 HB THR 102 -9.014 26.228 -7.811 791 HG1 THR 102 HG1 THR 102 -11.629 25.155 -7.560 792 HG21 THR 102 1HG2 THR 102 -10.274 27.472 -9.403 793 HG22 THR 102 2HG2 THR 102 -11.185 26.044 -9.894 794 HG23 THR 102 3HG2 THR 102 -9.472 26.178 -10.293 795 H ALA 103 H ALA 103 -7.525 24.289 -6.885 796 HA ALA 103 HA ALA 103 -7.911 22.051 -5.316 797 HB1 ALA 103 1HB ALA 103 -6.050 24.036 -5.412 798 HB2 ALA 103 2HB ALA 103 -6.814 24.339 -3.852 799 HB3 ALA 103 3HB ALA 103 -6.104 22.761 -4.195 800 H ALA 104 H ALA 104 -9.237 25.297 -4.903 801 HA ALA 104 HA ALA 104 -10.380 24.889 -2.356 802 HB1 ALA 104 1HB ALA 104 -10.420 27.102 -2.723 803 HB2 ALA 104 2HB ALA 104 -10.551 26.913 -4.472 804 HB3 ALA 104 3HB ALA 104 -11.989 26.774 -3.461 805 H ALA 105 H ALA 105 -11.782 24.677 -5.620 806 HA ALA 105 HA ALA 105 -14.388 24.048 -4.950 807 HB1 ALA 105 1HB ALA 105 -13.627 24.529 -7.234 808 HB2 ALA 105 2HB ALA 105 -12.826 22.957 -7.288 809 HB3 ALA 105 3HB ALA 105 -14.582 23.047 -7.152 810 H ALA 106 H ALA 106 -11.570 21.935 -5.136 811 HA ALA 106 HA ALA 106 -12.950 19.488 -4.833 812 HB1 ALA 106 1HB ALA 106 -10.351 20.216 -5.325 813 HB2 ALA 106 2HB ALA 106 -10.262 19.526 -3.703 814 HB3 ALA 106 3HB ALA 106 -10.922 18.573 -5.033 815 H GLU 107 H GLU 107 -11.077 21.371 -2.445 816 HA GLU 107 HA GLU 107 -11.639 19.855 -0.206 817 HB2 GLU 107 2HB GLU 107 -10.003 21.592 -0.072 818 HB3 GLU 107 3HB GLU 107 -11.187 22.824 -0.489 819 HG2 GLU 107 2HG GLU 107 -12.021 21.394 1.857 820 HG3 GLU 107 3HG GLU 107 -10.384 22.018 2.061 821 H ASN 108 H ASN 108 -13.551 22.440 -1.669 822 HA ASN 108 HA ASN 108 -15.495 22.690 0.327 823 HB2 ASN 108 2HB ASN 108 -15.089 23.648 -2.342 824 HB3 ASN 108 3HB ASN 108 -16.751 23.086 -2.188 825 HD21 ASN 108 1HD2 ASN 108 -17.812 24.973 -2.117 826 HD22 ASN 108 2HD2 ASN 108 -17.580 26.185 -0.908 827 H MET 109 H MET 109 -15.508 20.691 -2.620 828 HA MET 109 HA MET 109 -18.001 19.462 -2.088 829 HB2 MET 109 2HB MET 109 -16.542 19.588 -4.281 830 HB3 MET 109 3HB MET 109 -15.891 18.069 -3.683 831 HG2 MET 109 2HG MET 109 -18.178 17.157 -3.595 832 HG3 MET 109 3HG MET 109 -18.778 18.665 -4.280 833 HE1 MET 109 1HE MET 109 -17.154 15.088 -5.365 834 HE2 MET 109 2HE MET 109 -15.892 15.796 -6.373 835 HE3 MET 109 3HE MET 109 -15.969 16.185 -4.653 836 H TYR 110 H TYR 110 -14.724 18.756 -1.121 837 HA TYR 110 HA TYR 110 -15.025 16.086 -0.335 838 HB2 TYR 110 2HB TYR 110 -12.965 17.890 -0.338 839 HB3 TYR 110 3HB TYR 110 -13.275 17.707 1.385 840 HD1 TYR 110 HD1 TYR 110 -11.827 16.218 -1.552 841 HD2 TYR 110 HD2 TYR 110 -13.198 15.392 2.390 842 HE1 TYR 110 HE1 TYR 110 -10.545 14.118 -1.552 843 HE2 TYR 110 HE2 TYR 110 -11.918 13.293 2.403 844 HH TYR 110 HH TYR 110 -10.646 11.905 1.222 845 H SER 111 H SER 111 -15.412 19.080 1.545 846 HA SER 111 HA SER 111 -16.349 17.629 3.860 847 HB2 SER 111 2HB SER 111 -15.041 19.621 4.250 848 HB3 SER 111 3HB SER 111 -16.142 20.589 3.272 849 HG SER 111 HG SER 111 -17.045 19.189 5.549 850 H GLN 112 H GLN 112 -17.726 19.548 1.260 851 HA GLN 112 HA GLN 112 -20.326 19.811 2.314 852 HB2 GLN 112 2HB GLN 112 -19.426 21.141 0.417 853 HB3 GLN 112 3HB GLN 112 -19.507 19.704 -0.593 854 HG2 GLN 112 2HG GLN 112 -22.041 19.800 0.328 855 HG3 GLN 112 3HG GLN 112 -21.638 21.516 0.297 856 HE21 GLN 112 1HE2 GLN 112 -20.722 22.335 -1.745 857 HE22 GLN 112 2HE2 GLN 112 -21.320 21.681 -3.228 858 H MET 113 H MET 113 -18.751 17.270 0.478 859 HA MET 113 HA MET 113 -21.139 15.807 -0.080 860 HB2 MET 113 2HB MET 113 -18.205 15.189 -0.249 861 HB3 MET 113 3HB MET 113 -19.401 13.921 -0.487 862 HG2 MET 113 2HG MET 113 -19.521 16.472 -2.046 863 HG3 MET 113 3HG MET 113 -18.474 15.143 -2.539 864 HE1 MET 113 1HE MET 113 -20.547 12.726 -4.257 865 HE2 MET 113 2HE MET 113 -18.985 13.281 -3.652 866 HE3 MET 113 3HE MET 113 -20.055 12.344 -2.607 867 H GLY 114 H GLY 114 -19.196 16.194 2.688 868 HA2 GLY 114 2HA GLY 114 -19.926 15.408 4.818 869 HA3 GLY 114 3HA GLY 114 -20.690 14.043 4.018 870 H LEU 115 H LEU 115 -17.523 14.843 2.972 871 HA LEU 115 HA LEU 115 -16.523 12.356 4.091 872 HB2 LEU 115 2HB LEU 115 -14.875 14.224 2.446 873 HB3 LEU 115 3HB LEU 115 -14.813 12.465 2.538 874 HG LEU 115 HG LEU 115 -17.047 14.003 1.222 875 HD11 LEU 115 1HD1 LEU 115 -15.798 14.261 -0.589 876 HD12 LEU 115 2HD1 LEU 115 -15.402 12.542 -0.603 877 HD13 LEU 115 3HD1 LEU 115 -14.404 13.670 0.317 878 HD21 LEU 115 1HD2 LEU 115 -17.401 11.747 0.143 879 HD22 LEU 115 2HD2 LEU 115 -17.808 11.858 1.855 880 HD23 LEU 115 3HD2 LEU 115 -16.298 11.093 1.355 881 H ASP 116 H ASP 116 -15.628 15.797 4.106 882 HA ASP 116 HA ASP 116 -13.850 15.279 6.385 883 HB2 ASP 116 2HB ASP 116 -12.652 16.453 4.739 884 HB3 ASP 116 3HB ASP 116 -14.015 17.504 4.368 885 H THR 117 H THR 117 -15.378 15.150 8.029 886 HA THR 117 HA THR 117 -17.399 17.121 8.424 887 HB THR 117 HB THR 117 -17.690 14.876 9.322 888 HG1 THR 117 HG1 THR 117 -18.606 16.744 10.440 889 HG21 THR 117 1HG2 THR 117 -16.363 14.253 11.387 890 HG22 THR 117 2HG2 THR 117 -15.257 15.560 10.964 891 HG23 THR 117 3HG2 THR 117 -15.480 14.201 9.863 892 H ARG 118 H ARG 118 -17.463 18.852 9.814 893 HA ARG 118 HA ARG 118 -14.881 19.651 10.989 894 HB2 ARG 118 2HB ARG 118 -15.906 22.013 10.781 895 HB3 ARG 118 3HB ARG 118 -15.291 21.236 9.328 896 HG2 ARG 118 2HG ARG 118 -17.529 20.629 8.657 897 HG3 ARG 118 3HG ARG 118 -18.185 21.282 10.160 898 HD2 ARG 118 2HD ARG 118 -18.517 22.872 8.373 899 HD3 ARG 118 3HD ARG 118 -17.343 23.511 9.522 900 HE ARG 118 HE ARG 118 -15.938 22.195 7.507 901 HH11 ARG 118 1HH1 ARG 118 -17.985 24.984 7.891 902 HH12 ARG 118 2HH1 ARG 118 -17.242 25.869 6.601 903 HH21 ARG 118 1HH2 ARG 118 -14.951 23.351 5.805 904 HH22 ARG 118 2HH2 ARG 118 -15.517 24.939 5.415 905 HA PRO 119 HA PRO 119 -16.702 19.871 14.975 906 HB2 PRO 119 2HB PRO 119 -15.451 22.032 16.042 907 HB3 PRO 119 3HB PRO 119 -14.635 20.488 15.768 908 HG2 PRO 119 2HG PRO 119 -14.594 22.975 14.102 909 HG3 PRO 119 3HG PRO 119 -13.253 21.901 14.542 910 HD2 PRO 119 2HD PRO 119 -14.471 21.796 12.126 911 HD3 PRO 119 3HD PRO 119 -13.789 20.360 12.914 Start of MODEL 15 1 H1 GLY 2 H GLY 2 0.524 -1.513 0.081 2 HA2 GLY 2 2HA GLY 2 1.430 -3.086 -1.545 3 HA3 GLY 2 3HA GLY 2 0.526 -2.228 -2.784 4 H ASN 3 H ASN 3 1.557 -0.718 -3.928 5 HA ASN 3 HA ASN 3 4.001 0.468 -2.807 6 HB2 ASN 3 2HB ASN 3 4.039 -1.466 -4.779 7 HB3 ASN 3 3HB ASN 3 4.123 0.034 -5.698 8 HD21 ASN 3 1HD2 ASN 3 5.941 1.274 -5.607 9 HD22 ASN 3 2HD2 ASN 3 7.391 0.781 -4.807 10 H GLY 4 H GLY 4 4.373 2.592 -3.331 11 HA2 GLY 4 2HA GLY 4 2.126 3.971 -4.610 12 HA3 GLY 4 3HA GLY 4 3.346 4.714 -3.587 13 H GLN 5 H GLN 5 3.198 2.907 -6.659 14 HA GLN 5 HA GLN 5 4.291 5.040 -8.169 15 HB2 GLN 5 2HB GLN 5 6.307 4.246 -6.866 16 HB3 GLN 5 3HB GLN 5 6.180 2.726 -7.740 17 HG2 GLN 5 2HG GLN 5 6.401 4.012 -9.863 18 HG3 GLN 5 3HG GLN 5 6.720 5.450 -8.894 19 HE21 GLN 5 1HE2 GLN 5 7.786 2.070 -8.709 20 HE22 GLN 5 2HE2 GLN 5 9.477 2.426 -8.682 21 H GLY 6 H GLY 6 2.327 4.314 -9.253 22 HA2 GLY 6 2HA GLY 6 2.965 2.258 -11.240 23 HA3 GLY 6 3HA GLY 6 1.494 2.058 -10.300 24 H ARG 7 H ARG 7 0.242 2.166 -12.207 25 HA ARG 7 HA ARG 7 0.342 4.399 -13.967 26 HB2 ARG 7 2HB ARG 7 -1.486 2.077 -13.565 27 HB3 ARG 7 3HB ARG 7 -2.074 3.444 -14.502 28 HG2 ARG 7 2HG ARG 7 0.599 2.415 -15.218 29 HG3 ARG 7 3HG ARG 7 -0.776 1.369 -15.575 30 HD2 ARG 7 2HD ARG 7 -1.506 2.696 -17.231 31 HD3 ARG 7 3HD ARG 7 -1.183 4.170 -16.317 32 HE ARG 7 HE ARG 7 1.252 3.039 -17.160 33 HH11 ARG 7 1HH1 ARG 7 -1.544 4.678 -18.431 34 HH12 ARG 7 2HH1 ARG 7 -0.690 5.375 -19.766 35 HH21 ARG 7 1HH2 ARG 7 2.387 3.950 -18.915 36 HH22 ARG 7 2HH2 ARG 7 1.546 4.960 -20.041 37 H ASP 8 H ASP 8 -1.990 3.440 -11.448 38 HA ASP 8 HA ASP 8 -3.650 5.667 -11.599 39 HB2 ASP 8 2HB ASP 8 -4.184 5.127 -9.175 40 HB3 ASP 8 3HB ASP 8 -4.393 3.807 -10.322 41 H TRP 9 H TRP 9 -0.557 5.250 -10.020 42 HA TRP 9 HA TRP 9 -0.669 7.606 -8.435 43 HB2 TRP 9 2HB TRP 9 0.908 5.554 -8.230 44 HB3 TRP 9 3HB TRP 9 1.896 6.390 -9.425 45 HD1 TRP 9 HD1 TRP 9 3.846 7.500 -8.208 46 HE1 TRP 9 HE1 TRP 9 4.144 8.864 -6.044 47 HE3 TRP 9 HE3 TRP 9 -0.942 7.261 -6.434 48 HZ2 TRP 9 HZ2 TRP 9 2.557 9.723 -3.874 49 HZ3 TRP 9 HZ3 TRP 9 -1.470 8.379 -4.307 50 HH2 TRP 9 HH2 TRP 9 0.246 9.584 -3.054 51 H LYS 10 H LYS 10 1.256 6.912 -11.362 52 HA LYS 10 HA LYS 10 2.146 9.488 -11.843 53 HB2 LYS 10 2HB LYS 10 2.018 6.997 -13.295 54 HB3 LYS 10 3HB LYS 10 1.699 8.349 -14.374 55 HG2 LYS 10 2HG LYS 10 3.915 9.018 -12.721 56 HG3 LYS 10 3HG LYS 10 4.184 7.417 -13.413 57 HD2 LYS 10 2HD LYS 10 5.051 8.772 -15.062 58 HD3 LYS 10 3HD LYS 10 3.392 8.563 -15.626 59 HE2 LYS 10 2HE LYS 10 2.844 10.705 -14.401 60 HE3 LYS 10 3HE LYS 10 4.580 10.927 -14.190 61 HZ1 LYS 10 1HZ LYS 10 3.383 10.504 -16.860 62 HZ2 LYS 10 2HZ LYS 10 4.899 11.151 -16.478 63 HZ3 LYS 10 3HZ LYS 10 3.496 12.046 -16.174 64 H MET 11 H MET 11 -0.912 7.981 -12.720 65 HA MET 11 HA MET 11 -1.820 10.086 -14.397 66 HB2 MET 11 2HB MET 11 -3.162 7.787 -13.007 67 HB3 MET 11 3HB MET 11 -4.115 9.008 -13.840 68 HG2 MET 11 2HG MET 11 -1.916 7.983 -15.446 69 HG3 MET 11 3HG MET 11 -3.063 6.738 -14.957 70 HE1 MET 11 1HE MET 11 -5.862 7.738 -14.971 71 HE2 MET 11 2HE MET 11 -6.326 7.651 -16.670 72 HE3 MET 11 3HE MET 11 -5.333 6.377 -15.961 73 H ALA 12 H ALA 12 -2.056 9.424 -10.957 74 HA ALA 12 HA ALA 12 -4.011 11.347 -10.314 75 HB1 ALA 12 1HB ALA 12 -3.056 9.427 -8.884 76 HB2 ALA 12 2HB ALA 12 -1.811 10.591 -8.429 77 HB3 ALA 12 3HB ALA 12 -3.507 10.933 -8.085 78 H ILE 13 H ILE 13 -0.486 11.529 -10.517 79 HA ILE 13 HA ILE 13 -0.259 14.170 -9.515 80 HB ILE 13 HB ILE 13 1.620 12.636 -11.315 81 HG12 ILE 13 2HG1 ILE 13 1.165 11.581 -9.111 82 HG13 ILE 13 3HG1 ILE 13 2.836 12.107 -9.282 83 HG21 ILE 13 1HG2 ILE 13 2.009 15.182 -9.753 84 HG22 ILE 13 2HG2 ILE 13 3.324 14.240 -10.454 85 HG23 ILE 13 3HG2 ILE 13 2.108 14.970 -11.501 86 HD11 ILE 13 1HD1 ILE 13 2.375 14.069 -7.936 87 HD12 ILE 13 2HD1 ILE 13 0.681 13.593 -7.799 88 HD13 ILE 13 3HD1 ILE 13 1.940 12.596 -7.068 89 H LYS 14 H LYS 14 -0.085 12.909 -12.846 90 HA LYS 14 HA LYS 14 0.094 15.368 -14.147 91 HB2 LYS 14 2HB LYS 14 0.414 13.042 -15.128 92 HB3 LYS 14 3HB LYS 14 -1.338 12.956 -15.258 93 HG2 LYS 14 2HG LYS 14 -1.400 14.741 -16.811 94 HG3 LYS 14 3HG LYS 14 0.291 15.149 -16.510 95 HD2 LYS 14 2HD LYS 14 0.903 12.889 -17.401 96 HD3 LYS 14 3HD LYS 14 -0.787 12.683 -17.869 97 HE2 LYS 14 2HE LYS 14 -0.198 13.630 -19.806 98 HE3 LYS 14 3HE LYS 14 -0.164 15.148 -18.909 99 HZ1 LYS 14 1HZ LYS 14 2.228 13.440 -18.934 100 HZ2 LYS 14 2HZ LYS 14 2.110 15.120 -18.771 101 HZ3 LYS 14 3HZ LYS 14 1.888 14.400 -20.287 102 H ARG 15 H ARG 15 -2.763 13.472 -13.244 103 HA ARG 15 HA ARG 15 -4.707 15.061 -14.456 104 HB2 ARG 15 2HB ARG 15 -5.136 12.834 -13.470 105 HB3 ARG 15 3HB ARG 15 -4.938 13.522 -11.864 106 HG2 ARG 15 2HG ARG 15 -7.221 13.499 -12.079 107 HG3 ARG 15 3HG ARG 15 -6.838 15.134 -12.622 108 HD2 ARG 15 2HD ARG 15 -6.887 12.974 -14.658 109 HD3 ARG 15 3HD ARG 15 -8.431 13.518 -14.001 110 HE ARG 15 HE ARG 15 -6.785 15.696 -14.827 111 HH11 ARG 15 1HH1 ARG 15 -8.963 13.233 -15.970 112 HH12 ARG 15 2HH1 ARG 15 -9.441 14.125 -17.376 113 HH21 ARG 15 1HH2 ARG 15 -7.406 16.881 -16.675 114 HH22 ARG 15 2HH2 ARG 15 -8.554 16.199 -17.777 115 H CYS 16 H CYS 16 -3.355 15.254 -11.176 116 HA CYS 16 HA CYS 16 -4.911 17.443 -10.328 117 HB2 CYS 16 2HB CYS 16 -2.629 15.926 -9.331 118 HB3 CYS 16 3HB CYS 16 -2.533 17.632 -8.911 119 HG CYS 16 HG CYS 16 -5.556 16.364 -8.342 120 H SER 17 H SER 17 -2.034 17.219 -12.254 121 HA SER 17 HA SER 17 -0.951 19.757 -11.944 122 HB2 SER 17 2HB SER 17 -0.137 17.703 -13.345 123 HB3 SER 17 3HB SER 17 -1.042 18.466 -14.651 124 HG SER 17 HG SER 17 0.228 20.337 -14.336 125 H ASN 18 H ASN 18 -3.835 18.749 -13.576 126 HA ASN 18 HA ASN 18 -4.120 21.191 -15.090 127 HB2 ASN 18 2HB ASN 18 -5.230 18.609 -15.217 128 HB3 ASN 18 3HB ASN 18 -6.572 19.687 -14.842 129 HD21 ASN 18 1HD2 ASN 18 -3.761 19.467 -16.990 130 HD22 ASN 18 2HD2 ASN 18 -4.551 20.136 -18.374 131 H VAL 19 H VAL 19 -5.080 19.965 -11.996 132 HA VAL 19 HA VAL 19 -7.257 21.704 -11.500 133 HB VAL 19 HB VAL 19 -5.406 20.492 -9.446 134 HG11 VAL 19 1HG1 VAL 19 -7.611 22.229 -9.213 135 HG12 VAL 19 2HG1 VAL 19 -8.155 20.639 -8.676 136 HG13 VAL 19 3HG1 VAL 19 -6.748 21.390 -7.924 137 HG21 VAL 19 1HG2 VAL 19 -7.899 19.318 -10.674 138 HG22 VAL 19 2HG2 VAL 19 -6.249 18.778 -10.984 139 HG23 VAL 19 3HG2 VAL 19 -6.946 18.603 -9.374 140 H ALA 20 H ALA 20 -7.345 23.760 -10.815 141 HA ALA 20 HA ALA 20 -4.995 25.371 -10.886 142 HB1 ALA 20 1HB ALA 20 -7.591 26.331 -9.754 143 HB2 ALA 20 2HB ALA 20 -6.401 27.201 -10.724 144 HB3 ALA 20 3HB ALA 20 -7.441 25.993 -11.479 145 H VAL 21 H VAL 21 -4.844 27.112 -9.003 146 HA VAL 21 HA VAL 21 -5.106 25.862 -6.379 147 HB VAL 21 HB VAL 21 -2.740 26.461 -5.809 148 HG11 VAL 21 1HG1 VAL 21 -2.975 24.422 -8.017 149 HG12 VAL 21 2HG1 VAL 21 -1.797 24.447 -6.703 150 HG13 VAL 21 3HG1 VAL 21 -3.501 24.152 -6.356 151 HG21 VAL 21 1HG2 VAL 21 -2.799 27.705 -8.301 152 HG22 VAL 21 2HG2 VAL 21 -1.397 27.493 -7.253 153 HG23 VAL 21 3HG2 VAL 21 -1.743 26.308 -8.513 154 H GLY 22 H GLY 22 -6.275 28.177 -7.813 155 HA2 GLY 22 2HA GLY 22 -5.292 30.358 -6.081 156 HA3 GLY 22 3HA GLY 22 -6.085 30.600 -7.630 157 H VAL 23 H VAL 23 -7.290 32.103 -6.073 158 HA VAL 23 HA VAL 23 -9.645 30.649 -5.071 159 HB VAL 23 HB VAL 23 -9.857 32.397 -3.288 160 HG11 VAL 23 1HG1 VAL 23 -8.791 31.052 -1.827 161 HG12 VAL 23 2HG1 VAL 23 -8.534 30.040 -3.249 162 HG13 VAL 23 3HG1 VAL 23 -7.263 31.134 -2.703 163 HG21 VAL 23 1HG2 VAL 23 -8.155 33.894 -4.588 164 HG22 VAL 23 2HG2 VAL 23 -8.200 33.932 -2.826 165 HG23 VAL 23 3HG2 VAL 23 -6.955 32.998 -3.656 166 H GLY 24 H GLY 24 -9.359 31.805 -7.638 167 HA2 GLY 24 2HA GLY 24 -11.674 33.015 -8.179 168 HA3 GLY 24 3HA GLY 24 -10.737 34.366 -7.558 169 H GLY 25 H GLY 25 -11.761 33.075 -10.320 170 HA2 GLY 25 2HA GLY 25 -11.137 33.324 -12.516 171 HA3 GLY 25 3HA GLY 25 -10.000 34.540 -11.953 172 H LYS 26 H LYS 26 -8.687 33.662 -13.737 173 HA LYS 26 HA LYS 26 -7.662 31.033 -13.689 174 HB2 LYS 26 2HB LYS 26 -7.549 33.074 -15.464 175 HB3 LYS 26 3HB LYS 26 -5.929 33.164 -14.786 176 HG2 LYS 26 2HG LYS 26 -5.260 31.388 -15.933 177 HG3 LYS 26 3HG LYS 26 -6.657 30.441 -15.421 178 HD2 LYS 26 2HD LYS 26 -6.686 30.622 -17.818 179 HD3 LYS 26 3HD LYS 26 -8.005 31.594 -17.164 180 HE2 LYS 26 2HE LYS 26 -5.685 33.230 -17.331 181 HE3 LYS 26 3HE LYS 26 -5.884 32.398 -18.872 182 HZ1 LYS 26 1HZ LYS 26 -8.398 33.290 -18.070 183 HZ2 LYS 26 2HZ LYS 26 -7.472 33.834 -19.376 184 HZ3 LYS 26 3HZ LYS 26 -7.330 34.587 -17.868 185 H SER 27 H SER 27 -5.594 30.276 -13.063 186 HA SER 27 HA SER 27 -3.728 31.846 -11.623 187 HB2 SER 27 2HB SER 27 -4.240 30.319 -9.460 188 HB3 SER 27 3HB SER 27 -4.922 31.930 -9.682 189 HG SER 27 HG SER 27 -6.184 29.508 -10.459 190 H LYS 28 H LYS 28 -2.278 30.221 -10.231 191 HA LYS 28 HA LYS 28 -1.110 28.457 -12.070 192 HB2 LYS 28 2HB LYS 28 -0.810 28.842 -9.105 193 HB3 LYS 28 3HB LYS 28 0.057 27.558 -9.937 194 HG2 LYS 28 2HG LYS 28 1.503 28.981 -10.906 195 HG3 LYS 28 3HG LYS 28 0.280 30.231 -11.148 196 HD2 LYS 28 2HD LYS 28 0.714 29.917 -8.350 197 HD3 LYS 28 3HD LYS 28 2.283 30.085 -9.145 198 HE2 LYS 28 2HE LYS 28 -0.062 31.948 -9.512 199 HE3 LYS 28 3HE LYS 28 1.316 32.250 -8.455 200 HZ1 LYS 28 1HZ LYS 28 1.464 31.879 -11.398 201 HZ2 LYS 28 2HZ LYS 28 2.768 32.214 -10.374 202 HZ3 LYS 28 3HZ LYS 28 1.548 33.365 -10.595 203 H LYS 29 H LYS 29 -0.581 26.083 -11.136 204 HA LYS 29 HA LYS 29 -3.133 24.812 -10.417 205 HB2 LYS 29 2HB LYS 29 -2.590 22.971 -12.006 206 HB3 LYS 29 3HB LYS 29 -2.914 24.510 -12.794 207 HG2 LYS 29 2HG LYS 29 -0.174 24.522 -12.387 208 HG3 LYS 29 3HG LYS 29 -0.542 22.861 -12.859 209 HD2 LYS 29 2HD LYS 29 -0.400 23.680 -14.952 210 HD3 LYS 29 3HD LYS 29 -2.044 24.242 -14.641 211 HE2 LYS 29 2HE LYS 29 -1.211 26.411 -13.968 212 HE3 LYS 29 3HE LYS 29 0.454 25.857 -14.140 213 HZ1 LYS 29 1HZ LYS 29 -0.835 27.169 -16.041 214 HZ2 LYS 29 2HZ LYS 29 -1.252 25.590 -16.483 215 HZ3 LYS 29 3HZ LYS 29 0.376 26.034 -16.374 216 H PHE 30 H PHE 30 -2.493 22.255 -10.183 217 HA PHE 30 HA PHE 30 -0.705 22.239 -7.912 218 HB2 PHE 30 2HB PHE 30 -2.901 20.632 -8.861 219 HB3 PHE 30 3HB PHE 30 -1.520 19.604 -8.491 220 HD1 PHE 30 HD1 PHE 30 -3.778 22.175 -7.090 221 HD2 PHE 30 HD2 PHE 30 -0.928 19.121 -6.272 222 HE1 PHE 30 HE1 PHE 30 -4.333 22.303 -4.696 223 HE2 PHE 30 HE2 PHE 30 -1.479 19.244 -3.877 224 HZ PHE 30 HZ PHE 30 -3.184 20.834 -3.087 225 H GLY 31 H GLY 31 0.870 20.389 -7.681 226 HA2 GLY 31 2HA GLY 31 2.027 19.406 -10.155 227 HA3 GLY 31 3HA GLY 31 3.017 20.564 -9.280 228 H GLU 32 H GLU 32 4.036 18.101 -9.725 229 HA GLU 32 HA GLU 32 3.497 16.174 -7.743 230 HB2 GLU 32 2HB GLU 32 5.716 15.240 -8.354 231 HB3 GLU 32 3HB GLU 32 4.691 15.559 -9.746 232 HG2 GLU 32 2HG GLU 32 5.975 17.845 -9.767 233 HG3 GLU 32 3HG GLU 32 7.181 16.925 -8.870 234 H GLY 33 H GLY 33 5.853 18.818 -7.892 235 HA2 GLY 33 2HA GLY 33 7.250 18.238 -5.536 236 HA3 GLY 33 3HA GLY 33 7.097 19.834 -6.255 237 H ASN 34 H ASN 34 4.466 20.408 -6.013 238 HA ASN 34 HA ASN 34 4.250 21.129 -3.286 239 HB2 ASN 34 2HB ASN 34 2.545 21.416 -5.713 240 HB3 ASN 34 3HB ASN 34 1.772 21.625 -4.144 241 HD21 ASN 34 1HD2 ASN 34 4.308 22.792 -6.258 242 HD22 ASN 34 2HD2 ASN 34 4.444 24.360 -5.544 243 H PHE 35 H PHE 35 2.752 18.602 -5.239 244 HA PHE 35 HA PHE 35 0.810 17.717 -3.465 245 HB2 PHE 35 2HB PHE 35 0.837 16.851 -5.694 246 HB3 PHE 35 3HB PHE 35 2.461 16.204 -5.489 247 HD1 PHE 35 HD1 PHE 35 2.602 13.935 -5.266 248 HD2 PHE 35 HD2 PHE 35 -0.844 15.937 -3.769 249 HE1 PHE 35 HE1 PHE 35 1.655 11.774 -4.565 250 HE2 PHE 35 HE2 PHE 35 -1.795 13.780 -3.064 251 HZ PHE 35 HZ PHE 35 -0.546 11.696 -3.462 252 H ARG 36 H ARG 36 4.242 16.891 -3.645 253 HA ARG 36 HA ARG 36 4.161 14.921 -1.598 254 HB2 ARG 36 2HB ARG 36 6.569 16.538 -2.433 255 HB3 ARG 36 3HB ARG 36 6.550 14.938 -1.702 256 HG2 ARG 36 2HG ARG 36 5.024 14.767 -4.062 257 HG3 ARG 36 3HG ARG 36 6.496 15.658 -4.459 258 HD2 ARG 36 2HD ARG 36 6.590 13.111 -2.878 259 HD3 ARG 36 3HD ARG 36 6.529 13.092 -4.639 260 HE ARG 36 HE ARG 36 8.776 13.767 -2.998 261 HH11 ARG 36 1HH1 ARG 36 7.262 14.296 -6.088 262 HH12 ARG 36 2HH1 ARG 36 8.741 14.713 -6.889 263 HH21 ARG 36 1HH2 ARG 36 10.731 14.314 -4.041 264 HH22 ARG 36 2HH2 ARG 36 10.713 14.722 -5.723 265 H TRP 37 H TRP 37 5.335 18.287 -1.616 266 HA TRP 37 HA TRP 37 6.051 18.516 1.036 267 HB2 TRP 37 2HB TRP 37 6.603 20.331 -0.350 268 HB3 TRP 37 3HB TRP 37 4.948 20.510 -0.926 269 HD1 TRP 37 HD1 TRP 37 7.303 21.696 1.756 270 HE1 TRP 37 HE1 TRP 37 6.101 23.399 3.267 271 HE3 TRP 37 HE3 TRP 37 2.518 21.034 0.080 272 HZ2 TRP 37 HZ2 TRP 37 3.473 24.337 3.692 273 HZ3 TRP 37 HZ3 TRP 37 0.719 22.373 1.092 274 HH2 TRP 37 HH2 TRP 37 1.188 23.989 2.861 275 H ALA 38 H ALA 38 2.864 18.505 -0.382 276 HA ALA 38 HA ALA 38 1.538 19.436 1.998 277 HB1 ALA 38 1HB ALA 38 -0.372 18.201 0.406 278 HB2 ALA 38 2HB ALA 38 0.030 19.919 0.436 279 HB3 ALA 38 3HB ALA 38 0.803 18.852 -0.737 280 H ILE 39 H ILE 39 1.177 16.371 0.206 281 HA ILE 39 HA ILE 39 -0.079 14.912 2.166 282 HB ILE 39 HB ILE 39 0.660 12.906 1.064 283 HG12 ILE 39 2HG1 ILE 39 2.724 14.665 -0.276 284 HG13 ILE 39 3HG1 ILE 39 3.041 13.390 0.894 285 HG21 ILE 39 1HG2 ILE 39 -0.673 13.353 -0.654 286 HG22 ILE 39 2HG2 ILE 39 -0.570 15.061 -0.230 287 HG23 ILE 39 3HG2 ILE 39 0.554 14.375 -1.402 288 HD11 ILE 39 1HD1 ILE 39 2.750 13.225 -1.954 289 HD12 ILE 39 2HD1 ILE 39 3.307 12.006 -0.807 290 HD13 ILE 39 3HD1 ILE 39 1.585 12.173 -1.148 291 H ARG 40 H ARG 40 3.329 15.662 1.858 292 HA ARG 40 HA ARG 40 4.208 13.810 3.850 293 HB2 ARG 40 2HB ARG 40 5.629 14.800 2.001 294 HB3 ARG 40 3HB ARG 40 5.648 16.295 2.925 295 HG2 ARG 40 2HG ARG 40 6.435 14.513 4.810 296 HG3 ARG 40 3HG ARG 40 7.115 13.795 3.348 297 HD2 ARG 40 2HD ARG 40 7.984 16.167 2.848 298 HD3 ARG 40 3HD ARG 40 7.645 16.492 4.548 299 HE ARG 40 HE ARG 40 9.146 14.182 4.505 300 HH11 ARG 40 1HH1 ARG 40 9.540 17.479 3.461 301 HH12 ARG 40 2HH1 ARG 40 11.258 17.483 3.684 302 HH21 ARG 40 1HH2 ARG 40 11.407 14.174 4.804 303 HH22 ARG 40 2HH2 ARG 40 12.319 15.601 4.448 304 H MET 41 H MET 41 3.953 17.372 3.837 305 HA MET 41 HA MET 41 4.540 17.800 6.513 306 HB2 MET 41 2HB MET 41 4.397 19.613 4.884 307 HB3 MET 41 3HB MET 41 2.664 19.362 4.729 308 HG2 MET 41 2HG MET 41 3.066 21.268 6.120 309 HG3 MET 41 3HG MET 41 2.394 19.968 7.101 310 HE1 MET 41 1HE MET 41 5.182 22.272 9.064 311 HE2 MET 41 2HE MET 41 4.375 22.779 7.580 312 HE3 MET 41 3HE MET 41 3.441 22.053 8.890 313 H ALA 42 H ALA 42 1.437 17.063 4.986 314 HA ALA 42 HA ALA 42 -0.108 17.341 7.360 315 HB1 ALA 42 1HB ALA 42 -0.655 15.995 4.724 316 HB2 ALA 42 2HB ALA 42 -1.834 16.067 6.034 317 HB3 ALA 42 3HB ALA 42 -1.246 17.555 5.294 318 H ASN 43 H ASN 43 1.569 14.664 5.816 319 HA ASN 43 HA ASN 43 0.443 12.576 7.337 320 HB2 ASN 43 2HB ASN 43 2.881 12.908 5.653 321 HB3 ASN 43 3HB ASN 43 2.824 11.530 6.748 322 HD21 ASN 43 1HD2 ASN 43 2.875 11.427 3.913 323 HD22 ASN 43 2HD2 ASN 43 1.406 10.679 3.392 324 H VAL 44 H VAL 44 3.584 14.229 7.710 325 HA VAL 44 HA VAL 44 4.294 12.995 10.126 326 HB VAL 44 HB VAL 44 5.115 15.744 9.182 327 HG11 VAL 44 1HG1 VAL 44 5.746 15.507 11.446 328 HG12 VAL 44 2HG1 VAL 44 6.268 13.838 11.203 329 HG13 VAL 44 3HG1 VAL 44 7.195 15.165 10.501 330 HG21 VAL 44 1HG2 VAL 44 5.601 14.202 7.431 331 HG22 VAL 44 2HG2 VAL 44 7.114 14.524 8.280 332 HG23 VAL 44 3HG2 VAL 44 6.243 13.018 8.571 333 H SER 45 H SER 45 2.407 15.882 9.444 334 HA SER 45 HA SER 45 2.313 16.929 12.050 335 HB2 SER 45 2HB SER 45 1.608 18.128 9.958 336 HB3 SER 45 3HB SER 45 0.144 17.145 9.951 337 HG SER 45 HG SER 45 -0.489 18.091 11.853 338 H THR 46 H THR 46 0.648 14.286 10.555 339 HA THR 46 HA THR 46 -1.276 14.099 12.748 340 HB THR 46 HB THR 46 -2.354 12.341 11.469 341 HG1 THR 46 HG1 THR 46 -1.470 11.714 9.443 342 HG21 THR 46 1HG2 THR 46 -2.194 13.901 9.142 343 HG22 THR 46 2HG2 THR 46 -1.931 15.013 10.485 344 HG23 THR 46 3HG2 THR 46 -3.388 14.022 10.433 345 H GLY 47 H GLY 47 1.636 13.589 13.076 346 HA2 GLY 47 2HA GLY 47 2.982 12.114 14.208 347 HA3 GLY 47 3HA GLY 47 1.496 11.397 14.812 348 H ARG 48 H ARG 48 1.891 11.475 11.403 349 HA ARG 48 HA ARG 48 2.401 8.579 11.429 350 HB2 ARG 48 2HB ARG 48 0.820 10.376 9.649 351 HB3 ARG 48 3HB ARG 48 1.546 8.939 8.944 352 HG2 ARG 48 2HG ARG 48 0.376 7.541 10.565 353 HG3 ARG 48 3HG ARG 48 -0.339 8.981 11.292 354 HD2 ARG 48 2HD ARG 48 -1.420 9.497 9.137 355 HD3 ARG 48 3HD ARG 48 -0.750 8.010 8.467 356 HE ARG 48 HE ARG 48 -2.307 7.594 10.842 357 HH11 ARG 48 1HH1 ARG 48 -2.421 7.955 7.381 358 HH12 ARG 48 2HH1 ARG 48 -3.912 7.090 7.210 359 HH21 ARG 48 1HH2 ARG 48 -4.271 6.453 10.629 360 HH22 ARG 48 2HH2 ARG 48 -4.965 6.237 9.058 361 H GLU 49 H GLU 49 4.044 7.695 10.250 362 HA GLU 49 HA GLU 49 6.356 9.126 9.785 363 HB2 GLU 49 2HB GLU 49 5.361 6.451 9.112 364 HB3 GLU 49 3HB GLU 49 6.579 7.054 7.995 365 HG2 GLU 49 2HG GLU 49 8.078 6.289 9.439 366 HG3 GLU 49 3HG GLU 49 7.642 7.662 10.455 367 HA PRO 50 HA PRO 50 5.981 11.217 5.948 368 HB2 PRO 50 2HB PRO 50 8.427 10.839 4.832 369 HB3 PRO 50 3HB PRO 50 8.157 11.904 6.217 370 HG2 PRO 50 2HG PRO 50 9.189 9.094 6.160 371 HG3 PRO 50 3HG PRO 50 9.763 10.479 7.108 372 HD2 PRO 50 2HD PRO 50 8.176 8.552 8.157 373 HD3 PRO 50 3HD PRO 50 8.104 10.244 8.690 374 H GLY 51 H GLY 51 6.793 7.846 5.945 375 HA2 GLY 51 2HA GLY 51 6.470 7.570 3.068 376 HA3 GLY 51 3HA GLY 51 6.827 6.280 4.207 377 H ASP 52 H ASP 52 4.168 8.639 4.012 378 HA ASP 52 HA ASP 52 2.288 6.390 4.229 379 HB2 ASP 52 2HB ASP 52 2.350 9.108 5.318 380 HB3 ASP 52 3HB ASP 52 0.800 8.681 4.599 381 H ILE 53 H ILE 53 2.443 5.896 1.972 382 HA ILE 53 HA ILE 53 1.092 7.853 0.232 383 HB ILE 53 HB ILE 53 2.922 5.596 -0.592 384 HG12 ILE 53 2HG1 ILE 53 4.172 7.370 0.511 385 HG13 ILE 53 3HG1 ILE 53 4.488 7.408 -1.220 386 HG21 ILE 53 1HG2 ILE 53 1.753 5.815 -2.502 387 HG22 ILE 53 2HG2 ILE 53 1.136 7.407 -2.063 388 HG23 ILE 53 3HG2 ILE 53 2.761 7.245 -2.728 389 HD11 ILE 53 1HD1 ILE 53 4.228 9.642 -0.589 390 HD12 ILE 53 2HD1 ILE 53 2.693 9.203 -1.340 391 HD13 ILE 53 3HD1 ILE 53 2.825 9.285 0.418 392 HA PRO 54 HA PRO 54 -1.843 4.306 0.800 393 HB2 PRO 54 2HB PRO 54 -4.042 5.873 1.083 394 HB3 PRO 54 3HB PRO 54 -2.994 5.436 2.438 395 HG2 PRO 54 2HG PRO 54 -3.058 7.961 0.831 396 HG3 PRO 54 3HG PRO 54 -2.900 7.755 2.586 397 HD2 PRO 54 2HD PRO 54 -0.778 8.259 0.981 398 HD3 PRO 54 3HD PRO 54 -0.650 7.275 2.453 399 H GLU 55 H GLU 55 -4.165 4.247 -0.350 400 HA GLU 55 HA GLU 55 -4.275 5.630 -2.869 401 HB2 GLU 55 2HB GLU 55 -2.658 3.499 -2.963 402 HB3 GLU 55 3HB GLU 55 -4.193 2.679 -3.215 403 HG2 GLU 55 2HG GLU 55 -3.363 3.141 -5.355 404 HG3 GLU 55 3HG GLU 55 -4.626 4.337 -5.071 405 H THR 56 H THR 56 -6.026 5.520 -0.707 406 HA THR 56 HA THR 56 -8.376 4.385 -2.012 407 HB THR 56 HB THR 56 -9.194 3.239 -0.090 408 HG1 THR 56 HG1 THR 56 -7.925 3.226 1.871 409 HG21 THR 56 1HG2 THR 56 -7.414 1.553 0.328 410 HG22 THR 56 2HG2 THR 56 -6.274 2.601 -0.516 411 HG23 THR 56 3HG2 THR 56 -7.648 1.913 -1.382 412 H LEU 57 H LEU 57 -10.286 5.459 -1.556 413 HA LEU 57 HA LEU 57 -10.138 8.160 -0.888 414 HB2 LEU 57 2HB LEU 57 -12.005 6.616 -2.027 415 HB3 LEU 57 3HB LEU 57 -12.705 6.763 -0.416 416 HG LEU 57 HG LEU 57 -13.654 8.414 -1.920 417 HD11 LEU 57 1HD1 LEU 57 -12.907 8.876 0.575 418 HD12 LEU 57 2HD1 LEU 57 -13.627 10.134 -0.429 419 HD13 LEU 57 3HD1 LEU 57 -11.878 10.071 -0.214 420 HD21 LEU 57 1HD2 LEU 57 -10.848 9.480 -2.220 421 HD22 LEU 57 2HD2 LEU 57 -12.315 10.153 -2.932 422 HD23 LEU 57 3HD2 LEU 57 -11.726 8.573 -3.452 423 H ASP 58 H ASP 58 -10.686 5.347 1.107 424 HA ASP 58 HA ASP 58 -11.638 6.731 3.401 425 HB2 ASP 58 2HB ASP 58 -11.794 4.208 2.829 426 HB3 ASP 58 3HB ASP 58 -10.177 4.106 3.522 427 H GLN 59 H GLN 59 -8.439 5.587 2.394 428 HA GLN 59 HA GLN 59 -7.040 6.265 4.720 429 HB2 GLN 59 2HB GLN 59 -6.254 5.903 1.851 430 HB3 GLN 59 3HB GLN 59 -5.075 6.504 3.009 431 HG2 GLN 59 2HG GLN 59 -5.032 4.527 4.198 432 HG3 GLN 59 3HG GLN 59 -6.611 4.016 3.603 433 HE21 GLN 59 1HE2 GLN 59 -4.055 2.599 3.624 434 HE22 GLN 59 2HE2 GLN 59 -3.732 2.178 1.980 435 H LEU 60 H LEU 60 -7.774 8.163 1.827 436 HA LEU 60 HA LEU 60 -6.269 10.443 2.577 437 HB2 LEU 60 2HB LEU 60 -8.414 9.871 0.590 438 HB3 LEU 60 3HB LEU 60 -8.010 11.550 0.944 439 HG LEU 60 HG LEU 60 -6.880 10.649 -1.069 440 HD11 LEU 60 1HD1 LEU 60 -5.342 12.185 -0.645 441 HD12 LEU 60 2HD1 LEU 60 -4.510 11.084 0.452 442 HD13 LEU 60 3HD1 LEU 60 -5.784 12.139 1.062 443 HD21 LEU 60 1HD2 LEU 60 -6.558 8.358 -0.404 444 HD22 LEU 60 2HD2 LEU 60 -5.530 8.852 0.941 445 HD23 LEU 60 3HD2 LEU 60 -4.986 9.092 -0.719 446 H ARG 61 H ARG 61 -9.751 9.725 2.779 447 HA ARG 61 HA ARG 61 -10.586 12.096 3.956 448 HB2 ARG 61 2HB ARG 61 -12.219 10.550 3.150 449 HB3 ARG 61 3HB ARG 61 -11.642 9.283 4.224 450 HG2 ARG 61 2HG ARG 61 -12.613 11.783 5.478 451 HG3 ARG 61 3HG ARG 61 -13.812 10.722 4.737 452 HD2 ARG 61 2HD ARG 61 -11.829 9.352 6.409 453 HD3 ARG 61 3HD ARG 61 -12.870 10.478 7.279 454 HE ARG 61 HE ARG 61 -14.421 8.832 5.589 455 HH11 ARG 61 1HH1 ARG 61 -12.591 8.744 8.550 456 HH12 ARG 61 2HH1 ARG 61 -13.527 7.461 9.243 457 HH21 ARG 61 1HH2 ARG 61 -15.660 7.143 6.492 458 HH22 ARG 61 2HH2 ARG 61 -15.272 6.551 8.071 459 H LEU 62 H LEU 62 -8.943 9.361 5.350 460 HA LEU 62 HA LEU 62 -9.484 10.012 8.076 461 HB2 LEU 62 2HB LEU 62 -8.595 7.804 6.884 462 HB3 LEU 62 3HB LEU 62 -7.042 8.497 7.344 463 HG LEU 62 HG LEU 62 -7.823 6.865 8.983 464 HD11 LEU 62 1HD1 LEU 62 -8.001 9.637 10.142 465 HD12 LEU 62 2HD1 LEU 62 -6.488 8.880 9.645 466 HD13 LEU 62 3HD1 LEU 62 -7.448 8.164 10.939 467 HD21 LEU 62 1HD2 LEU 62 -10.103 8.734 9.585 468 HD22 LEU 62 2HD2 LEU 62 -9.818 7.115 10.223 469 HD23 LEU 62 3HD2 LEU 62 -10.269 7.329 8.531 470 H VAL 63 H VAL 63 -6.443 10.173 6.209 471 HA VAL 63 HA VAL 63 -4.958 11.619 8.045 472 HB VAL 63 HB VAL 63 -3.609 12.405 6.080 473 HG11 VAL 63 1HG1 VAL 63 -2.680 10.276 5.631 474 HG12 VAL 63 2HG1 VAL 63 -3.322 10.196 7.273 475 HG13 VAL 63 3HG1 VAL 63 -4.213 9.461 5.940 476 HG21 VAL 63 1HG2 VAL 63 -5.731 10.905 4.550 477 HG22 VAL 63 2HG2 VAL 63 -5.341 12.621 4.424 478 HG23 VAL 63 3HG2 VAL 63 -4.182 11.410 3.875 479 H ILE 64 H ILE 64 -7.196 12.769 5.575 480 HA ILE 64 HA ILE 64 -6.597 15.528 5.888 481 HB ILE 64 HB ILE 64 -9.098 14.222 4.812 482 HG12 ILE 64 2HG1 ILE 64 -6.922 15.488 3.174 483 HG13 ILE 64 3HG1 ILE 64 -6.772 13.819 3.712 484 HG21 ILE 64 1HG2 ILE 64 -9.539 16.508 5.468 485 HG22 ILE 64 2HG2 ILE 64 -8.115 17.063 4.590 486 HG23 ILE 64 3HG2 ILE 64 -9.488 16.392 3.709 487 HD11 ILE 64 1HD1 ILE 64 -7.662 13.933 1.464 488 HD12 ILE 64 2HD1 ILE 64 -8.864 13.274 2.573 489 HD13 ILE 64 3HD1 ILE 64 -8.993 14.944 2.024 490 H CYS 65 H CYS 65 -8.934 13.349 7.370 491 HA CYS 65 HA CYS 65 -10.501 15.278 8.678 492 HB2 CYS 65 2HB CYS 65 -11.288 13.007 8.481 493 HB3 CYS 65 3HB CYS 65 -9.908 12.400 9.388 494 HG CYS 65 HG CYS 65 -10.733 13.791 11.763 495 H ASP 66 H ASP 66 -7.666 13.446 9.785 496 HA ASP 66 HA ASP 66 -7.577 14.542 12.379 497 HB2 ASP 66 2HB ASP 66 -5.456 13.279 10.643 498 HB3 ASP 66 3HB ASP 66 -5.146 13.801 12.296 499 H LEU 67 H LEU 67 -5.904 15.456 9.384 500 HA LEU 67 HA LEU 67 -4.403 17.568 10.480 501 HB2 LEU 67 2HB LEU 67 -3.882 16.569 8.327 502 HB3 LEU 67 3HB LEU 67 -5.404 17.160 7.665 503 HG LEU 67 HG LEU 67 -4.435 19.506 8.271 504 HD11 LEU 67 1HD1 LEU 67 -2.459 19.283 9.333 505 HD12 LEU 67 2HD1 LEU 67 -1.835 19.166 7.688 506 HD13 LEU 67 3HD1 LEU 67 -2.130 17.701 8.625 507 HD21 LEU 67 1HD2 LEU 67 -3.777 19.758 6.063 508 HD22 LEU 67 2HD2 LEU 67 -4.845 18.356 5.990 509 HD23 LEU 67 3HD2 LEU 67 -3.096 18.133 5.973 510 H GLN 68 H GLN 68 -7.677 17.392 9.245 511 HA GLN 68 HA GLN 68 -8.168 20.156 9.017 512 HB2 GLN 68 2HB GLN 68 -9.586 18.295 8.079 513 HB3 GLN 68 3HB GLN 68 -10.199 18.032 9.705 514 HG2 GLN 68 2HG GLN 68 -10.361 20.761 8.533 515 HG3 GLN 68 3HG GLN 68 -11.495 19.524 7.990 516 HE21 GLN 68 1HE2 GLN 68 -12.193 18.156 10.105 517 HE22 GLN 68 2HE2 GLN 68 -12.881 19.154 11.336 518 H GLU 69 H GLU 69 -8.866 17.877 11.662 519 HA GLU 69 HA GLU 69 -10.016 19.708 13.427 520 HB2 GLU 69 2HB GLU 69 -8.571 17.106 13.806 521 HB3 GLU 69 3HB GLU 69 -9.074 18.049 15.202 522 HG2 GLU 69 2HG GLU 69 -10.935 17.131 13.024 523 HG3 GLU 69 3HG GLU 69 -10.669 16.268 14.538 524 H ARG 70 H ARG 70 -6.629 18.658 13.153 525 HA ARG 70 HA ARG 70 -5.653 20.312 15.226 526 HB2 ARG 70 2HB ARG 70 -4.219 19.132 12.839 527 HB3 ARG 70 3HB ARG 70 -3.426 19.875 14.220 528 HG2 ARG 70 2HG ARG 70 -4.802 18.105 15.575 529 HG3 ARG 70 3HG ARG 70 -4.839 17.266 14.023 530 HD2 ARG 70 2HD ARG 70 -2.610 16.831 14.050 531 HD3 ARG 70 3HD ARG 70 -2.221 18.320 14.908 532 HE ARG 70 HE ARG 70 -3.622 16.517 16.591 533 HH11 ARG 70 1HH1 ARG 70 -0.500 17.106 15.165 534 HH12 ARG 70 2HH1 ARG 70 0.371 16.292 16.421 535 HH21 ARG 70 1HH2 ARG 70 -2.484 15.443 18.251 536 HH22 ARG 70 2HH2 ARG 70 -0.758 15.346 18.175 537 H ARG 71 H ARG 71 -6.099 20.804 11.773 538 HA ARG 71 HA ARG 71 -4.621 23.136 11.425 539 HB2 ARG 71 2HB ARG 71 -5.593 21.889 9.559 540 HB3 ARG 71 3HB ARG 71 -7.210 22.329 10.090 541 HG2 ARG 71 2HG ARG 71 -5.721 24.720 9.786 542 HG3 ARG 71 3HG ARG 71 -5.471 23.731 8.346 543 HD2 ARG 71 2HD ARG 71 -7.879 23.513 8.060 544 HD3 ARG 71 3HD ARG 71 -8.151 24.451 9.528 545 HE ARG 71 HE ARG 71 -7.445 25.462 6.925 546 HH11 ARG 71 1HH1 ARG 71 -7.474 26.088 10.349 547 HH12 ARG 71 2HH1 ARG 71 -7.430 27.810 10.166 548 HH21 ARG 71 1HH2 ARG 71 -7.387 27.728 6.671 549 HH22 ARG 71 2HH2 ARG 71 -7.381 28.742 8.074 550 H GLU 72 H GLU 72 -8.012 22.747 12.409 551 HA GLU 72 HA GLU 72 -8.567 25.512 12.617 552 HB2 GLU 72 2HB GLU 72 -10.125 23.348 12.618 553 HB3 GLU 72 3HB GLU 72 -10.010 23.575 14.358 554 HG2 GLU 72 2HG GLU 72 -10.744 25.870 12.596 555 HG3 GLU 72 3HG GLU 72 -11.953 24.665 13.039 556 H LYS 73 H LYS 73 -7.851 23.076 15.119 557 HA LYS 73 HA LYS 73 -7.844 24.794 17.312 558 HB2 LYS 73 2HB LYS 73 -7.151 22.079 16.780 559 HB3 LYS 73 3HB LYS 73 -5.844 22.802 17.710 560 HG2 LYS 73 2HG LYS 73 -7.323 23.390 19.479 561 HG3 LYS 73 3HG LYS 73 -8.738 22.956 18.518 562 HD2 LYS 73 2HD LYS 73 -8.390 20.698 18.780 563 HD3 LYS 73 3HD LYS 73 -6.653 20.886 19.028 564 HE2 LYS 73 2HE LYS 73 -7.091 20.607 21.201 565 HE3 LYS 73 3HE LYS 73 -7.735 22.248 21.160 566 HZ1 LYS 73 1HZ LYS 73 -9.218 19.694 20.990 567 HZ2 LYS 73 2HZ LYS 73 -9.912 21.159 20.505 568 HZ3 LYS 73 3HZ LYS 73 -9.411 20.949 22.108 569 H PHE 74 H PHE 74 -5.485 24.321 14.821 570 HA PHE 74 HA PHE 74 -3.398 25.700 16.303 571 HB2 PHE 74 2HB PHE 74 -3.547 24.265 13.685 572 HB3 PHE 74 3HB PHE 74 -2.256 25.434 13.939 573 HD1 PHE 74 HD1 PHE 74 -3.849 22.881 16.144 574 HD2 PHE 74 HD2 PHE 74 -0.280 24.343 14.342 575 HE1 PHE 74 HE1 PHE 74 -2.546 21.175 17.346 576 HE2 PHE 74 HE2 PHE 74 1.028 22.640 15.541 577 HZ PHE 74 HZ PHE 74 -0.105 21.051 17.045 578 H GLY 75 H GLY 75 -5.813 26.353 13.902 579 HA2 GLY 75 2HA GLY 75 -6.552 28.639 13.618 580 HA3 GLY 75 3HA GLY 75 -4.882 29.150 13.813 581 H SER 76 H SER 76 -5.694 30.329 11.780 582 HA SER 76 HA SER 76 -5.785 28.756 9.370 583 HB2 SER 76 2HB SER 76 -5.831 31.715 9.938 584 HB3 SER 76 3HB SER 76 -5.725 31.093 8.291 585 HG SER 76 HG SER 76 -7.898 31.516 9.083 586 H SER 77 H SER 77 -4.149 28.251 8.056 587 HA SER 77 HA SER 77 -1.704 29.797 8.025 588 HB2 SER 77 2HB SER 77 -0.721 28.505 9.605 589 HB3 SER 77 3HB SER 77 -1.925 27.226 9.444 590 HG SER 77 HG SER 77 0.399 27.669 7.901 591 H LYS 78 H LYS 78 -0.921 29.858 6.022 592 HA LYS 78 HA LYS 78 -2.186 28.636 3.859 593 HB2 LYS 78 2HB LYS 78 -0.274 29.406 2.522 594 HB3 LYS 78 3HB LYS 78 -0.840 30.657 3.620 595 HG2 LYS 78 2HG LYS 78 1.005 29.830 5.198 596 HG3 LYS 78 3HG LYS 78 1.656 29.012 3.775 597 HD2 LYS 78 2HD LYS 78 2.556 30.912 3.050 598 HD3 LYS 78 3HD LYS 78 0.984 31.712 3.100 599 HE2 LYS 78 2HE LYS 78 1.393 32.682 5.105 600 HE3 LYS 78 3HE LYS 78 2.332 31.312 5.698 601 HZ1 LYS 78 1HZ LYS 78 4.130 32.059 4.155 602 HZ2 LYS 78 2HZ LYS 78 3.812 33.118 5.435 603 HZ3 LYS 78 3HZ LYS 78 3.242 33.473 3.883 604 H GLU 79 H GLU 79 0.324 27.482 5.945 605 HA GLU 79 HA GLU 79 1.327 25.454 4.208 606 HB2 GLU 79 2HB GLU 79 1.558 26.009 7.149 607 HB3 GLU 79 3HB GLU 79 2.157 24.497 6.480 608 HG2 GLU 79 2HG GLU 79 4.017 25.478 5.805 609 HG3 GLU 79 3HG GLU 79 3.102 26.677 4.893 610 H ILE 80 H ILE 80 -0.563 25.141 7.220 611 HA ILE 80 HA ILE 80 -1.286 22.461 6.785 612 HB ILE 80 HB ILE 80 -2.808 24.492 8.421 613 HG12 ILE 80 2HG1 ILE 80 -0.504 22.700 9.222 614 HG13 ILE 80 3HG1 ILE 80 -0.429 24.449 9.040 615 HG21 ILE 80 1HG2 ILE 80 -3.990 22.376 7.980 616 HG22 ILE 80 2HG2 ILE 80 -2.635 21.494 8.684 617 HG23 ILE 80 3HG2 ILE 80 -3.594 22.584 9.685 618 HD11 ILE 80 1HD1 ILE 80 -1.148 22.921 11.319 619 HD12 ILE 80 2HD1 ILE 80 -1.004 24.671 11.157 620 HD13 ILE 80 3HD1 ILE 80 -2.543 23.878 10.819 621 H ASP 81 H ASP 81 -2.677 25.458 5.691 622 HA ASP 81 HA ASP 81 -5.226 24.433 4.965 623 HB2 ASP 81 2HB ASP 81 -4.886 26.823 5.289 624 HB3 ASP 81 3HB ASP 81 -3.727 26.862 3.964 625 H MET 82 H MET 82 -2.186 24.890 3.216 626 HA MET 82 HA MET 82 -3.193 24.085 0.686 627 HB2 MET 82 2HB MET 82 -0.471 24.479 1.858 628 HB3 MET 82 3HB MET 82 -0.623 23.639 0.321 629 HG2 MET 82 2HG MET 82 -1.701 25.544 -0.671 630 HG3 MET 82 3HG MET 82 -1.725 26.380 0.880 631 HE1 MET 82 1HE MET 82 0.294 28.733 0.291 632 HE2 MET 82 2HE MET 82 0.510 28.364 -1.419 633 HE3 MET 82 3HE MET 82 -1.066 28.137 -0.661 634 H ALA 83 H ALA 83 -1.701 22.381 3.376 635 HA ALA 83 HA ALA 83 -1.223 19.928 2.093 636 HB1 ALA 83 1HB ALA 83 -1.879 19.411 4.792 637 HB2 ALA 83 2HB ALA 83 -0.280 19.536 4.060 638 HB3 ALA 83 3HB ALA 83 -1.053 20.968 4.740 639 H ILE 84 H ILE 84 -3.942 20.865 4.208 640 HA ILE 84 HA ILE 84 -5.451 18.546 3.887 641 HB ILE 84 HB ILE 84 -6.012 20.135 5.610 642 HG12 ILE 84 2HG1 ILE 84 -8.495 20.541 4.178 643 HG13 ILE 84 3HG1 ILE 84 -7.866 18.922 3.890 644 HG21 ILE 84 1HG2 ILE 84 -6.934 22.029 3.459 645 HG22 ILE 84 2HG2 ILE 84 -6.870 22.322 5.196 646 HG23 ILE 84 3HG2 ILE 84 -5.376 22.152 4.275 647 HD11 ILE 84 1HD1 ILE 84 -9.371 18.912 5.769 648 HD12 ILE 84 2HD1 ILE 84 -7.729 18.573 6.318 649 HD13 ILE 84 3HD1 ILE 84 -8.429 20.172 6.567 650 H VAL 85 H VAL 85 -5.452 21.537 1.990 651 HA VAL 85 HA VAL 85 -7.594 20.834 0.284 652 HB VAL 85 HB VAL 85 -5.296 22.745 -0.149 653 HG11 VAL 85 1HG1 VAL 85 -6.123 22.099 -2.306 654 HG12 VAL 85 2HG1 VAL 85 -7.793 22.312 -1.780 655 HG13 VAL 85 3HG1 VAL 85 -6.731 23.712 -1.937 656 HG21 VAL 85 1HG2 VAL 85 -7.390 22.929 1.599 657 HG22 VAL 85 2HG2 VAL 85 -6.495 24.296 0.936 658 HG23 VAL 85 3HG2 VAL 85 -8.007 23.786 0.187 659 H THR 86 H THR 86 -4.236 19.986 0.327 660 HA THR 86 HA THR 86 -4.058 19.169 -2.408 661 HB THR 86 HB THR 86 -2.314 18.598 -0.012 662 HG1 THR 86 HG1 THR 86 -2.349 20.744 -1.010 663 HG21 THR 86 1HG2 THR 86 -0.682 17.898 -1.934 664 HG22 THR 86 2HG2 THR 86 -2.175 17.557 -2.811 665 HG23 THR 86 3HG2 THR 86 -1.838 16.732 -1.289 666 H LEU 87 H LEU 87 -4.144 17.315 0.642 667 HA LEU 87 HA LEU 87 -4.373 14.786 -0.503 668 HB2 LEU 87 2HB LEU 87 -5.240 15.903 2.143 669 HB3 LEU 87 3HB LEU 87 -5.514 14.213 1.722 670 HG LEU 87 HG LEU 87 -2.752 15.338 1.546 671 HD11 LEU 87 1HD1 LEU 87 -3.320 16.064 3.715 672 HD12 LEU 87 2HD1 LEU 87 -2.457 14.541 3.930 673 HD13 LEU 87 3HD1 LEU 87 -4.215 14.585 4.062 674 HD21 LEU 87 1HD2 LEU 87 -2.214 13.002 2.226 675 HD22 LEU 87 2HD2 LEU 87 -3.071 13.127 0.689 676 HD23 LEU 87 3HD2 LEU 87 -3.938 12.633 2.145 677 H LYS 88 H LYS 88 -6.781 17.242 0.093 678 HA LYS 88 HA LYS 88 -9.045 15.541 -0.316 679 HB2 LYS 88 2HB LYS 88 -8.626 18.503 -0.119 680 HB3 LYS 88 3HB LYS 88 -10.167 17.874 -0.688 681 HG2 LYS 88 2HG LYS 88 -10.354 16.564 1.403 682 HG3 LYS 88 3HG LYS 88 -8.869 17.327 1.973 683 HD2 LYS 88 2HD LYS 88 -9.907 19.506 1.891 684 HD3 LYS 88 3HD LYS 88 -11.368 18.817 1.177 685 HE2 LYS 88 2HE LYS 88 -11.406 17.345 3.314 686 HE3 LYS 88 3HE LYS 88 -10.324 18.570 3.972 687 HZ1 LYS 88 1HZ LYS 88 -12.711 18.958 4.446 688 HZ2 LYS 88 2HZ LYS 88 -12.977 19.174 2.789 689 HZ3 LYS 88 3HZ LYS 88 -11.968 20.240 3.629 690 H VAL 89 H VAL 89 -7.880 18.289 -2.273 691 HA VAL 89 HA VAL 89 -9.347 17.756 -4.555 692 HB VAL 89 HB VAL 89 -7.980 19.820 -4.109 693 HG11 VAL 89 1HG1 VAL 89 -5.898 18.452 -3.578 694 HG12 VAL 89 2HG1 VAL 89 -5.691 18.304 -5.324 695 HG13 VAL 89 3HG1 VAL 89 -5.679 19.897 -4.566 696 HG21 VAL 89 1HG2 VAL 89 -8.735 18.633 -6.506 697 HG22 VAL 89 2HG2 VAL 89 -8.321 20.329 -6.251 698 HG23 VAL 89 3HG2 VAL 89 -7.084 19.190 -6.785 699 H PHE 90 H PHE 90 -6.397 16.277 -3.423 700 HA PHE 90 HA PHE 90 -5.835 14.954 -5.922 701 HB2 PHE 90 2HB PHE 90 -3.971 15.536 -4.496 702 HB3 PHE 90 3HB PHE 90 -4.661 14.627 -3.154 703 HD1 PHE 90 HD1 PHE 90 -4.438 12.254 -3.019 704 HD2 PHE 90 HD2 PHE 90 -2.997 14.373 -6.418 705 HE1 PHE 90 HE1 PHE 90 -3.201 10.253 -3.738 706 HE2 PHE 90 HE2 PHE 90 -1.759 12.375 -7.142 707 HZ PHE 90 HZ PHE 90 -1.861 10.310 -5.803 708 H ALA 91 H ALA 91 -7.522 14.236 -2.958 709 HA ALA 91 HA ALA 91 -7.655 11.417 -3.281 710 HB1 ALA 91 1HB ALA 91 -8.018 12.302 -1.108 711 HB2 ALA 91 2HB ALA 91 -9.320 13.347 -1.678 712 HB3 ALA 91 3HB ALA 91 -9.547 11.599 -1.635 713 H VAL 92 H VAL 92 -9.883 14.060 -4.099 714 HA VAL 92 HA VAL 92 -11.843 12.299 -5.234 715 HB VAL 92 HB VAL 92 -12.531 14.433 -4.276 716 HG11 VAL 92 1HG1 VAL 92 -11.438 15.985 -6.554 717 HG12 VAL 92 2HG1 VAL 92 -11.742 16.478 -4.887 718 HG13 VAL 92 3HG1 VAL 92 -10.317 15.514 -5.277 719 HG21 VAL 92 1HG2 VAL 92 -14.255 14.460 -5.680 720 HG22 VAL 92 2HG2 VAL 92 -13.261 15.129 -6.974 721 HG23 VAL 92 3HG2 VAL 92 -13.341 13.383 -6.736 722 H ALA 93 H ALA 93 -9.296 14.401 -6.493 723 HA ALA 93 HA ALA 93 -9.955 13.874 -9.241 724 HB1 ALA 93 1HB ALA 93 -7.416 15.077 -8.154 725 HB2 ALA 93 2HB ALA 93 -8.062 15.224 -9.789 726 HB3 ALA 93 3HB ALA 93 -8.899 15.990 -8.439 727 H GLY 94 H GLY 94 -8.328 12.165 -6.836 728 HA2 GLY 94 2HA GLY 94 -6.680 10.710 -8.798 729 HA3 GLY 94 3HA GLY 94 -6.429 10.700 -7.059 730 H LEU 95 H LEU 95 -8.254 9.724 -5.766 731 HA LEU 95 HA LEU 95 -8.677 7.076 -6.593 732 HB2 LEU 95 2HB LEU 95 -9.909 8.757 -4.431 733 HB3 LEU 95 3HB LEU 95 -10.371 7.075 -4.682 734 HG LEU 95 HG LEU 95 -8.794 7.138 -2.901 735 HD11 LEU 95 1HD1 LEU 95 -8.420 5.659 -5.208 736 HD12 LEU 95 2HD1 LEU 95 -7.693 5.349 -3.632 737 HD13 LEU 95 3HD1 LEU 95 -6.814 6.288 -4.838 738 HD21 LEU 95 1HD2 LEU 95 -6.807 8.313 -2.866 739 HD22 LEU 95 2HD2 LEU 95 -7.861 9.408 -3.763 740 HD23 LEU 95 3HD2 LEU 95 -6.701 8.396 -4.625 741 H LEU 96 H LEU 96 -10.724 9.937 -6.763 742 HA LEU 96 HA LEU 96 -12.877 8.377 -7.977 743 HB2 LEU 96 2HB LEU 96 -12.735 10.749 -6.392 744 HB3 LEU 96 3HB LEU 96 -13.512 11.131 -7.927 745 HG LEU 96 HG LEU 96 -14.707 8.756 -6.988 746 HD11 LEU 96 1HD1 LEU 96 -15.565 9.439 -4.812 747 HD12 LEU 96 2HD1 LEU 96 -14.541 10.873 -4.847 748 HD13 LEU 96 3HD1 LEU 96 -13.810 9.270 -4.776 749 HD21 LEU 96 1HD2 LEU 96 -15.702 11.604 -6.994 750 HD22 LEU 96 2HD2 LEU 96 -16.705 10.157 -6.893 751 HD23 LEU 96 3HD2 LEU 96 -15.767 10.480 -8.352 752 H ASN 97 H ASN 97 -10.130 9.822 -9.000 753 HA ASN 97 HA ASN 97 -9.367 10.682 -10.968 754 HB2 ASN 97 2HB ASN 97 -10.588 8.360 -11.519 755 HB3 ASN 97 3HB ASN 97 -11.595 9.430 -12.488 756 HD21 ASN 97 1HD2 ASN 97 -8.227 8.578 -11.849 757 HD22 ASN 97 2HD2 ASN 97 -7.665 8.870 -13.456 758 H MET 98 H MET 98 -11.335 12.270 -9.522 759 HA MET 98 HA MET 98 -13.158 13.451 -11.355 760 HB2 MET 98 2HB MET 98 -13.078 13.489 -8.725 761 HB3 MET 98 3HB MET 98 -12.116 14.940 -8.979 762 HG2 MET 98 2HG MET 98 -14.595 14.837 -10.532 763 HG3 MET 98 3HG MET 98 -14.819 14.876 -8.785 764 HE1 MET 98 1HE MET 98 -15.146 16.556 -11.552 765 HE2 MET 98 2HE MET 98 -15.789 17.854 -10.545 766 HE3 MET 98 3HE MET 98 -14.366 18.138 -11.549 767 H THR 99 H THR 99 -13.083 15.693 -12.096 768 HA THR 99 HA THR 99 -10.338 16.491 -12.808 769 HB THR 99 HB THR 99 -12.755 17.411 -14.330 770 HG1 THR 99 HG1 THR 99 -13.034 15.265 -14.568 771 HG21 THR 99 1HG2 THR 99 -10.718 18.528 -14.890 772 HG22 THR 99 2HG2 THR 99 -11.065 17.389 -16.191 773 HG23 THR 99 3HG2 THR 99 -9.840 17.003 -14.985 774 H VAL 100 H VAL 100 -10.760 17.430 -10.465 775 HA VAL 100 HA VAL 100 -12.345 19.636 -9.990 776 HB VAL 100 HB VAL 100 -9.542 19.176 -8.961 777 HG11 VAL 100 1HG1 VAL 100 -10.194 20.615 -7.101 778 HG12 VAL 100 2HG1 VAL 100 -10.290 21.481 -8.635 779 HG13 VAL 100 3HG1 VAL 100 -11.762 20.895 -7.857 780 HG21 VAL 100 1HG2 VAL 100 -11.098 17.307 -8.542 781 HG22 VAL 100 2HG2 VAL 100 -10.595 18.116 -7.057 782 HG23 VAL 100 3HG2 VAL 100 -12.194 18.427 -7.734 783 H SER 101 H SER 101 -12.241 21.790 -10.400 784 HA SER 101 HA SER 101 -10.445 22.627 -12.519 785 HB2 SER 101 2HB SER 101 -12.405 24.479 -11.215 786 HB3 SER 101 3HB SER 101 -11.910 24.383 -12.905 787 HG SER 101 HG SER 101 -13.910 23.051 -11.576 788 H THR 102 H THR 102 -11.053 23.336 -9.126 789 HA THR 102 HA THR 102 -8.435 24.618 -8.962 790 HB THR 102 HB THR 102 -9.189 26.571 -7.835 791 HG1 THR 102 HG1 THR 102 -11.229 26.818 -7.079 792 HG21 THR 102 1HG2 THR 102 -11.214 26.292 -10.037 793 HG22 THR 102 2HG2 THR 102 -9.488 26.407 -10.382 794 HG23 THR 102 3HG2 THR 102 -10.309 27.722 -9.543 795 H ALA 103 H ALA 103 -7.453 24.451 -6.958 796 HA ALA 103 HA ALA 103 -8.006 22.261 -5.376 797 HB1 ALA 103 1HB ALA 103 -6.736 24.522 -3.977 798 HB2 ALA 103 2HB ALA 103 -6.185 22.859 -4.188 799 HB3 ALA 103 3HB ALA 103 -5.978 24.030 -5.491 800 H ALA 104 H ALA 104 -9.172 25.563 -5.059 801 HA ALA 104 HA ALA 104 -10.276 25.356 -2.481 802 HB1 ALA 104 1HB ALA 104 -11.103 27.106 -4.792 803 HB2 ALA 104 2HB ALA 104 -11.635 27.308 -3.122 804 HB3 ALA 104 3HB ALA 104 -9.932 27.504 -3.535 805 H ALA 105 H ALA 105 -11.795 24.963 -5.679 806 HA ALA 105 HA ALA 105 -14.369 24.348 -4.805 807 HB1 ALA 105 1HB ALA 105 -13.915 22.833 -7.129 808 HB2 ALA 105 2HB ALA 105 -14.664 24.426 -7.002 809 HB3 ALA 105 3HB ALA 105 -12.927 24.288 -7.277 810 H ALA 106 H ALA 106 -11.526 22.308 -5.153 811 HA ALA 106 HA ALA 106 -12.788 19.809 -4.879 812 HB1 ALA 106 1HB ALA 106 -10.720 19.128 -5.294 813 HB2 ALA 106 2HB ALA 106 -10.135 20.780 -5.093 814 HB3 ALA 106 3HB ALA 106 -10.204 19.695 -3.705 815 H GLU 107 H GLU 107 -11.149 21.832 -2.441 816 HA GLU 107 HA GLU 107 -11.696 20.191 -0.239 817 HB2 GLU 107 2HB GLU 107 -10.106 22.212 -0.429 818 HB3 GLU 107 3HB GLU 107 -11.519 23.188 -0.051 819 HG2 GLU 107 2HG GLU 107 -11.571 21.246 1.892 820 HG3 GLU 107 3HG GLU 107 -9.850 21.566 1.687 821 H ASN 108 H ASN 108 -13.441 23.055 -1.434 822 HA ASN 108 HA ASN 108 -15.444 23.181 0.458 823 HB2 ASN 108 2HB ASN 108 -15.043 24.161 -2.258 824 HB3 ASN 108 3HB ASN 108 -16.739 23.834 -1.911 825 HD21 ASN 108 1HD2 ASN 108 -17.434 25.906 -1.806 826 HD22 ASN 108 2HD2 ASN 108 -16.925 27.034 -0.601 827 H MET 109 H MET 109 -15.211 21.112 -2.385 828 HA MET 109 HA MET 109 -17.843 20.023 -2.105 829 HB2 MET 109 2HB MET 109 -16.079 20.089 -4.147 830 HB3 MET 109 3HB MET 109 -15.782 18.462 -3.548 831 HG2 MET 109 2HG MET 109 -18.402 18.305 -3.632 832 HG3 MET 109 3HG MET 109 -18.218 19.608 -4.803 833 HE1 MET 109 1HE MET 109 -17.136 16.323 -3.587 834 HE2 MET 109 2HE MET 109 -17.302 15.262 -4.986 835 HE3 MET 109 3HE MET 109 -15.756 16.044 -4.650 836 H TYR 110 H TYR 110 -14.584 18.964 -1.223 837 HA TYR 110 HA TYR 110 -15.188 16.392 -0.342 838 HB2 TYR 110 2HB TYR 110 -12.908 17.778 -0.539 839 HB3 TYR 110 3HB TYR 110 -13.170 17.950 1.192 840 HD1 TYR 110 HD1 TYR 110 -13.284 15.916 2.627 841 HD2 TYR 110 HD2 TYR 110 -12.191 15.713 -1.480 842 HE1 TYR 110 HE1 TYR 110 -12.331 13.680 2.998 843 HE2 TYR 110 HE2 TYR 110 -11.236 13.475 -1.120 844 HH TYR 110 HH TYR 110 -10.241 12.224 1.035 845 H SER 111 H SER 111 -15.753 19.478 1.148 846 HA SER 111 HA SER 111 -16.504 18.212 3.680 847 HB2 SER 111 2HB SER 111 -15.063 20.199 3.813 848 HB3 SER 111 3HB SER 111 -16.280 21.144 2.956 849 HG SER 111 HG SER 111 -16.705 19.838 5.439 850 H GLN 112 H GLN 112 -17.841 20.016 0.982 851 HA GLN 112 HA GLN 112 -20.388 20.533 2.034 852 HB2 GLN 112 2HB GLN 112 -19.204 20.394 -0.688 853 HB3 GLN 112 3HB GLN 112 -20.957 20.323 -0.571 854 HG2 GLN 112 2HG GLN 112 -19.827 22.438 1.060 855 HG3 GLN 112 3HG GLN 112 -19.408 22.599 -0.644 856 HE21 GLN 112 1HE2 GLN 112 -21.386 23.865 1.398 857 HE22 GLN 112 2HE2 GLN 112 -22.841 24.001 0.476 858 H MET 113 H MET 113 -18.961 17.634 0.798 859 HA MET 113 HA MET 113 -21.581 16.295 0.841 860 HB2 MET 113 2HB MET 113 -19.044 15.777 -0.656 861 HB3 MET 113 3HB MET 113 -20.122 14.432 -0.309 862 HG2 MET 113 2HG MET 113 -21.879 16.216 -1.302 863 HG3 MET 113 3HG MET 113 -20.425 16.667 -2.189 864 HE1 MET 113 1HE MET 113 -18.810 14.750 -2.688 865 HE2 MET 113 2HE MET 113 -19.272 13.056 -2.858 866 HE3 MET 113 3HE MET 113 -19.344 14.134 -4.253 867 H GLY 114 H GLY 114 -19.632 16.981 3.095 868 HA2 GLY 114 2HA GLY 114 -18.863 16.003 5.025 869 HA3 GLY 114 3HA GLY 114 -20.130 14.816 4.753 870 H LEU 115 H LEU 115 -17.594 15.232 2.418 871 HA LEU 115 HA LEU 115 -16.813 12.490 2.681 872 HB2 LEU 115 2HB LEU 115 -15.300 14.549 1.118 873 HB3 LEU 115 3HB LEU 115 -15.480 12.826 0.792 874 HG LEU 115 HG LEU 115 -17.670 14.882 0.501 875 HD11 LEU 115 1HD1 LEU 115 -17.062 13.781 -1.975 876 HD12 LEU 115 2HD1 LEU 115 -15.496 14.127 -1.244 877 HD13 LEU 115 3HD1 LEU 115 -16.690 15.413 -1.420 878 HD21 LEU 115 1HD2 LEU 115 -18.763 13.007 -0.762 879 HD22 LEU 115 2HD2 LEU 115 -18.631 12.762 0.980 880 HD23 LEU 115 3HD2 LEU 115 -17.518 11.938 -0.114 881 H ASP 116 H ASP 116 -15.674 15.512 3.918 882 HA ASP 116 HA ASP 116 -13.000 14.881 4.451 883 HB2 ASP 116 2HB ASP 116 -13.645 17.147 4.682 884 HB3 ASP 116 3HB ASP 116 -14.951 16.745 5.792 885 H THR 117 H THR 117 -15.952 14.075 6.146 886 HA THR 117 HA THR 117 -14.581 12.054 7.669 887 HB THR 117 HB THR 117 -15.998 14.224 9.220 888 HG1 THR 117 HG1 THR 117 -14.165 15.260 9.047 889 HG21 THR 117 1HG2 THR 117 -14.331 12.841 10.916 890 HG22 THR 117 2HG2 THR 117 -14.951 11.575 9.856 891 HG23 THR 117 3HG2 THR 117 -16.069 12.595 10.759 892 H ARG 118 H ARG 118 -15.916 10.400 8.202 893 HA ARG 118 HA ARG 118 -18.748 10.730 8.492 894 HB2 ARG 118 2HB ARG 118 -18.249 10.712 5.956 895 HB3 ARG 118 3HB ARG 118 -17.912 9.001 6.181 896 HG2 ARG 118 2HG ARG 118 -20.145 8.583 6.912 897 HG3 ARG 118 3HG ARG 118 -20.506 10.310 6.958 898 HD2 ARG 118 2HD ARG 118 -20.733 10.463 4.699 899 HD3 ARG 118 3HD ARG 118 -19.550 9.193 4.386 900 HE ARG 118 HE ARG 118 -22.360 8.879 4.562 901 HH11 ARG 118 1HH1 ARG 118 -19.361 7.304 5.367 902 HH12 ARG 118 2HH1 ARG 118 -20.030 5.708 5.300 903 HH21 ARG 118 1HH2 ARG 118 -23.253 6.782 4.471 904 HH22 ARG 118 2HH2 ARG 118 -22.244 5.411 4.789 905 HA PRO 119 HA PRO 119 -16.783 7.122 10.664 906 HB2 PRO 119 2HB PRO 119 -17.796 7.738 13.105 907 HB3 PRO 119 3HB PRO 119 -16.275 8.404 12.501 908 HG2 PRO 119 2HG PRO 119 -18.999 9.645 12.551 909 HG3 PRO 119 3HG PRO 119 -17.431 10.373 12.946 910 HD2 PRO 119 2HD PRO 119 -18.660 10.764 10.566 911 HD3 PRO 119 3HD PRO 119 -16.893 10.720 10.732 Start of MODEL 16 1 H1 GLY 2 H GLY 2 9.198 7.465 -5.475 2 HA2 GLY 2 2HA GLY 2 9.715 6.946 -3.025 3 HA3 GLY 2 3HA GLY 2 8.013 7.136 -3.416 4 H ASN 3 H ASN 3 6.719 5.250 -3.712 5 HA ASN 3 HA ASN 3 7.775 2.641 -3.223 6 HB2 ASN 3 2HB ASN 3 7.635 3.895 -0.924 7 HB3 ASN 3 3HB ASN 3 5.911 3.563 -1.063 8 HD21 ASN 3 1HD2 ASN 3 5.176 1.611 -0.526 9 HD22 ASN 3 2HD2 ASN 3 6.166 0.257 -0.111 10 H GLY 4 H GLY 4 4.877 4.690 -3.065 11 HA2 GLY 4 2HA GLY 4 3.252 2.472 -4.072 12 HA3 GLY 4 3HA GLY 4 2.647 4.002 -3.453 13 H GLN 5 H GLN 5 5.226 3.770 -5.811 14 HA GLN 5 HA GLN 5 3.816 5.479 -7.618 15 HB2 GLN 5 2HB GLN 5 5.803 5.174 -9.073 16 HB3 GLN 5 3HB GLN 5 6.215 5.677 -7.439 17 HG2 GLN 5 2HG GLN 5 7.210 3.697 -6.926 18 HG3 GLN 5 3HG GLN 5 6.195 2.772 -8.030 19 HE21 GLN 5 1HE2 GLN 5 6.633 2.983 -10.322 20 HE22 GLN 5 2HE2 GLN 5 8.251 3.281 -10.849 21 H GLY 6 H GLY 6 3.019 5.013 -9.670 22 HA2 GLY 6 2HA GLY 6 3.189 2.642 -11.077 23 HA3 GLY 6 3HA GLY 6 1.843 2.432 -9.966 24 H ARG 7 H ARG 7 0.386 2.280 -11.714 25 HA ARG 7 HA ARG 7 0.134 4.303 -13.688 26 HB2 ARG 7 2HB ARG 7 -0.826 1.794 -13.462 27 HB3 ARG 7 3HB ARG 7 -2.254 2.700 -12.979 28 HG2 ARG 7 2HG ARG 7 -2.726 2.918 -15.132 29 HG3 ARG 7 3HG ARG 7 -1.340 4.004 -15.254 30 HD2 ARG 7 2HD ARG 7 0.106 2.155 -15.828 31 HD3 ARG 7 3HD ARG 7 -1.212 1.009 -15.583 32 HE ARG 7 HE ARG 7 -2.139 2.739 -17.487 33 HH11 ARG 7 1HH1 ARG 7 0.644 0.672 -17.162 34 HH12 ARG 7 2HH1 ARG 7 0.795 0.388 -18.865 35 HH21 ARG 7 1HH2 ARG 7 -1.950 2.373 -19.730 36 HH22 ARG 7 2HH2 ARG 7 -0.680 1.357 -20.325 37 H ASP 8 H ASP 8 -1.770 3.567 -10.770 38 HA ASP 8 HA ASP 8 -3.536 5.737 -10.982 39 HB2 ASP 8 2HB ASP 8 -2.635 4.547 -8.362 40 HB3 ASP 8 3HB ASP 8 -4.204 5.242 -8.763 41 H TRP 9 H TRP 9 -0.278 5.510 -9.790 42 HA TRP 9 HA TRP 9 -0.262 7.927 -8.297 43 HB2 TRP 9 2HB TRP 9 1.427 5.904 -8.338 44 HB3 TRP 9 3HB TRP 9 2.219 6.861 -9.588 45 HD1 TRP 9 HD1 TRP 9 4.204 8.066 -8.527 46 HE1 TRP 9 HE1 TRP 9 4.632 9.358 -6.343 47 HE3 TRP 9 HE3 TRP 9 -0.336 7.388 -6.279 48 HZ2 TRP 9 HZ2 TRP 9 3.232 10.004 -3.979 49 HZ3 TRP 9 HZ3 TRP 9 -0.711 8.374 -4.055 50 HH2 TRP 9 HH2 TRP 9 1.038 9.655 -2.931 51 H LYS 10 H LYS 10 1.247 7.179 -11.446 52 HA LYS 10 HA LYS 10 1.882 9.812 -12.121 53 HB2 LYS 10 2HB LYS 10 1.717 7.232 -13.515 54 HB3 LYS 10 3HB LYS 10 1.458 8.625 -14.557 55 HG2 LYS 10 2HG LYS 10 3.602 9.568 -13.573 56 HG3 LYS 10 3HG LYS 10 3.876 7.954 -12.911 57 HD2 LYS 10 2HD LYS 10 4.424 7.096 -14.916 58 HD3 LYS 10 3HD LYS 10 3.158 7.995 -15.755 59 HE2 LYS 10 2HE LYS 10 4.961 9.054 -16.638 60 HE3 LYS 10 3HE LYS 10 4.780 10.027 -15.179 61 HZ1 LYS 10 1HZ LYS 10 6.549 7.653 -15.329 62 HZ2 LYS 10 2HZ LYS 10 6.504 8.833 -14.118 63 HZ3 LYS 10 3HZ LYS 10 7.085 9.223 -15.658 64 H MET 11 H MET 11 -1.037 7.919 -12.754 65 HA MET 11 HA MET 11 -2.304 9.857 -14.388 66 HB2 MET 11 2HB MET 11 -3.417 7.571 -12.759 67 HB3 MET 11 3HB MET 11 -4.390 8.558 -13.840 68 HG2 MET 11 2HG MET 11 -3.156 7.821 -15.743 69 HG3 MET 11 3HG MET 11 -1.976 7.000 -14.722 70 HE1 MET 11 1HE MET 11 -4.140 5.480 -17.251 71 HE2 MET 11 2HE MET 11 -5.734 5.451 -16.497 72 HE3 MET 11 3HE MET 11 -4.896 6.986 -16.731 73 H ALA 12 H ALA 12 -2.056 9.406 -10.945 74 HA ALA 12 HA ALA 12 -4.232 11.054 -10.179 75 HB1 ALA 12 1HB ALA 12 -1.901 9.834 -8.826 76 HB2 ALA 12 2HB ALA 12 -2.653 11.220 -8.034 77 HB3 ALA 12 3HB ALA 12 -3.613 9.788 -8.404 78 H ILE 13 H ILE 13 -0.748 11.679 -10.515 79 HA ILE 13 HA ILE 13 -1.027 14.464 -9.863 80 HB ILE 13 HB ILE 13 1.315 12.993 -11.077 81 HG12 ILE 13 2HG1 ILE 13 0.739 13.787 -8.214 82 HG13 ILE 13 3HG1 ILE 13 0.703 12.148 -8.855 83 HG21 ILE 13 1HG2 ILE 13 0.831 15.768 -10.766 84 HG22 ILE 13 2HG2 ILE 13 2.075 15.301 -9.608 85 HG23 ILE 13 3HG2 ILE 13 2.298 14.965 -11.325 86 HD11 ILE 13 1HD1 ILE 13 3.160 12.598 -9.496 87 HD12 ILE 13 2HD1 ILE 13 3.046 13.920 -8.333 88 HD13 ILE 13 3HD1 ILE 13 2.757 12.260 -7.813 89 H LYS 14 H LYS 14 -0.382 12.618 -12.830 90 HA LYS 14 HA LYS 14 -0.091 14.715 -14.612 91 HB2 LYS 14 2HB LYS 14 0.361 12.479 -15.332 92 HB3 LYS 14 3HB LYS 14 -1.288 11.971 -14.995 93 HG2 LYS 14 2HG LYS 14 -2.139 13.091 -16.859 94 HG3 LYS 14 3HG LYS 14 -0.689 14.083 -17.036 95 HD2 LYS 14 2HD LYS 14 0.075 12.603 -18.510 96 HD3 LYS 14 3HD LYS 14 0.172 11.417 -17.206 97 HE2 LYS 14 2HE LYS 14 -2.396 11.923 -18.673 98 HE3 LYS 14 3HE LYS 14 -1.181 10.814 -19.309 99 HZ1 LYS 14 1HZ LYS 14 -2.064 9.274 -18.008 100 HZ2 LYS 14 2HZ LYS 14 -3.074 10.393 -17.241 101 HZ3 LYS 14 3HZ LYS 14 -1.507 10.132 -16.660 102 H ARG 15 H ARG 15 -3.054 13.195 -13.425 103 HA ARG 15 HA ARG 15 -4.779 14.757 -15.095 104 HB2 ARG 15 2HB ARG 15 -5.265 12.980 -12.709 105 HB3 ARG 15 3HB ARG 15 -6.562 13.862 -13.504 106 HG2 ARG 15 2HG ARG 15 -4.894 12.322 -15.339 107 HG3 ARG 15 3HG ARG 15 -5.736 11.341 -14.137 108 HD2 ARG 15 2HD ARG 15 -7.830 11.997 -14.882 109 HD3 ARG 15 3HD ARG 15 -7.211 13.464 -15.639 110 HE ARG 15 HE ARG 15 -7.389 10.855 -16.815 111 HH11 ARG 15 1HH1 ARG 15 -5.698 13.897 -16.876 112 HH12 ARG 15 2HH1 ARG 15 -5.195 13.734 -18.526 113 HH21 ARG 15 1HH2 ARG 15 -6.734 10.627 -18.988 114 HH22 ARG 15 2HH2 ARG 15 -5.785 11.873 -19.726 115 H CYS 16 H CYS 16 -3.772 14.887 -11.702 116 HA CYS 16 HA CYS 16 -5.414 16.965 -10.847 117 HB2 CYS 16 2HB CYS 16 -3.905 15.505 -9.427 118 HB3 CYS 16 3HB CYS 16 -2.571 16.538 -9.926 119 HG CYS 16 HG CYS 16 -4.924 18.501 -8.836 120 H SER 17 H SER 17 -2.634 17.016 -12.893 121 HA SER 17 HA SER 17 -1.719 19.621 -12.560 122 HB2 SER 17 2HB SER 17 -1.068 17.539 -14.213 123 HB3 SER 17 3HB SER 17 -1.769 18.687 -15.352 124 HG SER 17 HG SER 17 0.432 19.062 -13.614 125 H ASN 18 H ASN 18 -4.610 18.445 -14.052 126 HA ASN 18 HA ASN 18 -5.160 20.809 -15.578 127 HB2 ASN 18 2HB ASN 18 -6.857 18.441 -14.780 128 HB3 ASN 18 3HB ASN 18 -7.469 19.771 -15.756 129 HD21 ASN 18 1HD2 ASN 18 -6.255 16.758 -15.911 130 HD22 ASN 18 2HD2 ASN 18 -5.595 16.779 -17.507 131 H VAL 19 H VAL 19 -5.727 19.753 -12.328 132 HA VAL 19 HA VAL 19 -7.827 21.610 -11.743 133 HB VAL 19 HB VAL 19 -6.001 20.105 -9.863 134 HG11 VAL 19 1HG1 VAL 19 -6.864 21.411 -8.280 135 HG12 VAL 19 2HG1 VAL 19 -8.009 22.139 -9.409 136 HG13 VAL 19 3HG1 VAL 19 -8.413 20.627 -8.592 137 HG21 VAL 19 1HG2 VAL 19 -7.260 18.557 -11.182 138 HG22 VAL 19 2HG2 VAL 19 -7.999 18.632 -9.583 139 HG23 VAL 19 3HG2 VAL 19 -8.745 19.476 -10.939 140 H ALA 20 H ALA 20 -7.681 23.686 -11.189 141 HA ALA 20 HA ALA 20 -5.156 25.024 -11.232 142 HB1 ALA 20 1HB ALA 20 -7.535 25.866 -11.926 143 HB2 ALA 20 2HB ALA 20 -7.629 26.355 -10.233 144 HB3 ALA 20 3HB ALA 20 -6.346 26.988 -11.264 145 H VAL 21 H VAL 21 -4.892 26.814 -9.407 146 HA VAL 21 HA VAL 21 -5.142 25.472 -6.796 147 HB VAL 21 HB VAL 21 -2.959 26.620 -6.197 148 HG11 VAL 21 1HG1 VAL 21 -1.585 24.880 -7.430 149 HG12 VAL 21 2HG1 VAL 21 -2.931 24.274 -6.463 150 HG13 VAL 21 3HG1 VAL 21 -3.087 24.395 -8.216 151 HG21 VAL 21 1HG2 VAL 21 -1.876 27.883 -7.673 152 HG22 VAL 21 2HG2 VAL 21 -1.957 26.620 -8.902 153 HG23 VAL 21 3HG2 VAL 21 -3.290 27.761 -8.722 154 H GLY 22 H GLY 22 -6.850 27.500 -8.035 155 HA2 GLY 22 2HA GLY 22 -7.425 29.118 -5.893 156 HA3 GLY 22 3HA GLY 22 -6.259 30.034 -6.838 157 H VAL 23 H VAL 23 -8.438 31.354 -6.662 158 HA VAL 23 HA VAL 23 -10.004 30.759 -9.089 159 HB VAL 23 HB VAL 23 -10.920 32.247 -6.623 160 HG11 VAL 23 1HG1 VAL 23 -13.179 31.832 -7.911 161 HG12 VAL 23 2HG1 VAL 23 -12.171 33.236 -8.266 162 HG13 VAL 23 3HG1 VAL 23 -12.114 31.820 -9.316 163 HG21 VAL 23 1HG2 VAL 23 -12.333 30.362 -6.175 164 HG22 VAL 23 2HG2 VAL 23 -11.835 29.571 -7.671 165 HG23 VAL 23 3HG2 VAL 23 -10.678 29.781 -6.356 166 H GLY 24 H GLY 24 -9.140 33.515 -6.982 167 HA2 GLY 24 2HA GLY 24 -9.034 35.204 -9.392 168 HA3 GLY 24 3HA GLY 24 -9.269 35.790 -7.753 169 H GLY 25 H GLY 25 -7.393 36.962 -9.373 170 HA2 GLY 25 2HA GLY 25 -5.254 37.790 -8.883 171 HA3 GLY 25 3HA GLY 25 -4.967 36.387 -7.865 172 H LYS 26 H LYS 26 -3.674 34.848 -8.628 173 HA LYS 26 HA LYS 26 -2.785 35.047 -11.403 174 HB2 LYS 26 2HB LYS 26 -1.702 33.404 -9.105 175 HB3 LYS 26 3HB LYS 26 -0.975 33.523 -10.703 176 HG2 LYS 26 2HG LYS 26 -1.456 36.029 -9.177 177 HG3 LYS 26 3HG LYS 26 -0.119 34.983 -8.693 178 HD2 LYS 26 2HD LYS 26 -0.260 35.412 -11.576 179 HD3 LYS 26 3HD LYS 26 -0.031 36.903 -10.660 180 HE2 LYS 26 2HE LYS 26 2.119 35.969 -11.237 181 HE3 LYS 26 3HE LYS 26 1.875 35.858 -9.494 182 HZ1 LYS 26 1HZ LYS 26 2.813 33.827 -10.568 183 HZ2 LYS 26 2HZ LYS 26 1.331 33.616 -11.355 184 HZ3 LYS 26 3HZ LYS 26 1.406 33.559 -9.666 185 H SER 27 H SER 27 -2.210 32.828 -12.415 186 HA SER 27 HA SER 27 -4.399 30.923 -11.921 187 HB2 SER 27 2HB SER 27 -3.368 31.706 -14.656 188 HB3 SER 27 3HB SER 27 -4.705 30.612 -14.303 189 HG SER 27 HG SER 27 -5.953 32.283 -13.750 190 H LYS 28 H LYS 28 -3.403 29.197 -11.095 191 HA LYS 28 HA LYS 28 -1.257 27.969 -12.661 192 HB2 LYS 28 2HB LYS 28 -1.090 28.839 -9.806 193 HB3 LYS 28 3HB LYS 28 -0.256 27.370 -10.294 194 HG2 LYS 28 2HG LYS 28 0.642 28.959 -12.212 195 HG3 LYS 28 3HG LYS 28 0.299 30.194 -10.999 196 HD2 LYS 28 2HD LYS 28 1.672 28.926 -9.377 197 HD3 LYS 28 3HD LYS 28 2.068 27.773 -10.652 198 HE2 LYS 28 2HE LYS 28 2.782 29.993 -11.914 199 HE3 LYS 28 3HE LYS 28 2.978 30.575 -10.262 200 HZ1 LYS 28 1HZ LYS 28 4.983 29.518 -11.363 201 HZ2 LYS 28 2HZ LYS 28 4.191 28.037 -11.172 202 HZ3 LYS 28 3HZ LYS 28 4.589 28.964 -9.815 203 H LYS 29 H LYS 29 -0.800 25.698 -11.822 204 HA LYS 29 HA LYS 29 -3.273 24.464 -10.808 205 HB2 LYS 29 2HB LYS 29 -1.495 23.188 -12.881 206 HB3 LYS 29 3HB LYS 29 -3.099 22.678 -12.373 207 HG2 LYS 29 2HG LYS 29 -3.781 23.726 -14.224 208 HG3 LYS 29 3HG LYS 29 -3.600 25.196 -13.262 209 HD2 LYS 29 2HD LYS 29 -1.171 25.202 -14.090 210 HD3 LYS 29 3HD LYS 29 -1.719 24.033 -15.295 211 HE2 LYS 29 2HE LYS 29 -3.097 25.569 -16.345 212 HE3 LYS 29 3HE LYS 29 -3.211 26.595 -14.916 213 HZ1 LYS 29 1HZ LYS 29 -1.611 27.833 -15.780 214 HZ2 LYS 29 2HZ LYS 29 -1.402 26.766 -17.075 215 HZ3 LYS 29 3HZ LYS 29 -0.538 26.534 -15.640 216 H PHE 30 H PHE 30 -2.749 22.036 -10.250 217 HA PHE 30 HA PHE 30 -0.785 22.123 -8.173 218 HB2 PHE 30 2HB PHE 30 -3.039 20.510 -8.841 219 HB3 PHE 30 3HB PHE 30 -1.650 19.447 -8.639 220 HD1 PHE 30 HD1 PHE 30 -1.186 18.667 -6.532 221 HD2 PHE 30 HD2 PHE 30 -3.279 22.350 -6.954 222 HE1 PHE 30 HE1 PHE 30 -1.442 18.797 -4.089 223 HE2 PHE 30 HE2 PHE 30 -3.536 22.486 -4.511 224 HZ PHE 30 HZ PHE 30 -2.617 20.709 -3.075 225 H GLY 31 H GLY 31 0.762 20.205 -7.916 226 HA2 GLY 31 2HA GLY 31 1.859 19.231 -10.435 227 HA3 GLY 31 3HA GLY 31 2.894 20.302 -9.501 228 H GLU 32 H GLU 32 4.267 18.298 -9.635 229 HA GLU 32 HA GLU 32 3.487 16.127 -7.882 230 HB2 GLU 32 2HB GLU 32 4.810 15.850 -10.038 231 HB3 GLU 32 3HB GLU 32 6.179 16.539 -9.178 232 HG2 GLU 32 2HG GLU 32 5.247 14.530 -7.505 233 HG3 GLU 32 3HG GLU 32 5.131 13.853 -9.129 234 H GLY 33 H GLY 33 6.157 18.493 -7.997 235 HA2 GLY 33 2HA GLY 33 7.322 17.875 -5.548 236 HA3 GLY 33 3HA GLY 33 7.391 19.453 -6.317 237 H ASN 34 H ASN 34 4.671 20.118 -6.250 238 HA ASN 34 HA ASN 34 4.450 21.189 -3.658 239 HB2 ASN 34 2HB ASN 34 3.415 22.238 -5.625 240 HB3 ASN 34 3HB ASN 34 2.309 20.875 -5.776 241 HD21 ASN 34 1HD2 ASN 34 0.561 20.728 -4.440 242 HD22 ASN 34 2HD2 ASN 34 0.088 21.985 -3.353 243 H PHE 35 H PHE 35 2.701 18.527 -5.237 244 HA PHE 35 HA PHE 35 0.970 17.857 -3.186 245 HB2 PHE 35 2HB PHE 35 0.688 16.801 -5.301 246 HB3 PHE 35 3HB PHE 35 2.319 16.140 -5.266 247 HD1 PHE 35 HD1 PHE 35 2.479 13.895 -4.869 248 HD2 PHE 35 HD2 PHE 35 -0.739 16.066 -3.123 249 HE1 PHE 35 HE1 PHE 35 1.613 11.813 -3.884 250 HE2 PHE 35 HE2 PHE 35 -1.609 13.988 -2.135 251 HZ PHE 35 HZ PHE 35 -0.433 11.858 -2.513 252 H ARG 36 H ARG 36 4.343 16.931 -3.650 253 HA ARG 36 HA ARG 36 4.494 15.051 -1.559 254 HB2 ARG 36 2HB ARG 36 6.778 16.791 -2.475 255 HB3 ARG 36 3HB ARG 36 6.853 15.164 -1.813 256 HG2 ARG 36 2HG ARG 36 5.240 14.963 -4.082 257 HG3 ARG 36 3HG ARG 36 6.578 16.019 -4.540 258 HD2 ARG 36 2HD ARG 36 8.139 14.379 -4.285 259 HD3 ARG 36 3HD ARG 36 7.234 13.566 -3.009 260 HE ARG 36 HE ARG 36 5.763 13.241 -5.320 261 HH11 ARG 36 1HH1 ARG 36 8.948 12.403 -4.191 262 HH12 ARG 36 2HH1 ARG 36 9.060 10.974 -5.165 263 HH21 ARG 36 1HH2 ARG 36 5.898 11.363 -6.608 264 HH22 ARG 36 2HH2 ARG 36 7.324 10.385 -6.540 265 H TRP 37 H TRP 37 5.487 18.474 -1.644 266 HA TRP 37 HA TRP 37 6.297 18.735 0.987 267 HB2 TRP 37 2HB TRP 37 6.737 20.537 -0.488 268 HB3 TRP 37 3HB TRP 37 5.035 20.709 -0.910 269 HD1 TRP 37 HD1 TRP 37 7.612 21.861 1.588 270 HE1 TRP 37 HE1 TRP 37 6.544 23.560 3.200 271 HE3 TRP 37 HE3 TRP 37 2.710 21.258 0.270 272 HZ2 TRP 37 HZ2 TRP 37 3.964 24.516 3.830 273 HZ3 TRP 37 HZ3 TRP 37 1.003 22.601 1.426 274 HH2 TRP 37 HH2 TRP 37 1.620 24.196 3.169 275 H ALA 38 H ALA 38 3.070 18.633 -0.338 276 HA ALA 38 HA ALA 38 1.810 19.508 2.108 277 HB1 ALA 38 1HB ALA 38 0.285 20.059 0.580 278 HB2 ALA 38 2HB ALA 38 0.982 18.974 -0.624 279 HB3 ALA 38 3HB ALA 38 -0.163 18.353 0.564 280 H ILE 39 H ILE 39 1.521 16.492 0.218 281 HA ILE 39 HA ILE 39 0.278 14.945 2.125 282 HB ILE 39 HB ILE 39 0.689 14.254 -0.230 283 HG12 ILE 39 2HG1 ILE 39 1.693 12.191 1.735 284 HG13 ILE 39 3HG1 ILE 39 0.004 12.673 1.625 285 HG21 ILE 39 1HG2 ILE 39 3.396 13.316 0.657 286 HG22 ILE 39 2HG2 ILE 39 2.748 13.441 -0.978 287 HG23 ILE 39 3HG2 ILE 39 3.162 14.901 -0.078 288 HD11 ILE 39 1HD1 ILE 39 0.747 10.563 0.392 289 HD12 ILE 39 2HD1 ILE 39 -0.249 11.727 -0.483 290 HD13 ILE 39 3HD1 ILE 39 1.490 11.664 -0.768 291 H ARG 40 H ARG 40 3.675 15.763 1.845 292 HA ARG 40 HA ARG 40 4.550 13.890 3.832 293 HB2 ARG 40 2HB ARG 40 5.941 14.923 1.935 294 HB3 ARG 40 3HB ARG 40 6.055 16.347 2.960 295 HG2 ARG 40 2HG ARG 40 7.727 15.438 4.086 296 HG3 ARG 40 3HG ARG 40 6.728 14.043 4.501 297 HD2 ARG 40 2HD ARG 40 7.815 14.133 1.752 298 HD3 ARG 40 3HD ARG 40 8.976 13.866 3.051 299 HE ARG 40 HE ARG 40 6.900 12.116 3.522 300 HH11 ARG 40 1HH1 ARG 40 9.185 12.711 0.962 301 HH12 ARG 40 2HH1 ARG 40 9.223 11.061 0.436 302 HH21 ARG 40 1HH2 ARG 40 6.942 9.941 2.837 303 HH22 ARG 40 2HH2 ARG 40 7.946 9.486 1.503 304 H MET 41 H MET 41 4.299 17.451 3.783 305 HA MET 41 HA MET 41 4.922 17.908 6.447 306 HB2 MET 41 2HB MET 41 4.734 19.677 4.735 307 HB3 MET 41 3HB MET 41 2.988 19.471 4.727 308 HG2 MET 41 2HG MET 41 3.659 19.885 7.399 309 HG3 MET 41 3HG MET 41 4.647 21.024 6.487 310 HE1 MET 41 1HE MET 41 0.897 22.257 8.022 311 HE2 MET 41 2HE MET 41 1.711 20.751 8.446 312 HE3 MET 41 3HE MET 41 2.593 22.277 8.507 313 H ALA 42 H ALA 42 1.883 16.954 4.973 314 HA ALA 42 HA ALA 42 0.291 17.361 7.309 315 HB1 ALA 42 1HB ALA 42 -0.412 15.485 5.075 316 HB2 ALA 42 2HB ALA 42 -1.485 16.443 6.096 317 HB3 ALA 42 3HB ALA 42 -0.491 17.236 4.874 318 H ASN 43 H ASN 43 1.864 14.547 5.835 319 HA ASN 43 HA ASN 43 0.867 12.602 7.591 320 HB2 ASN 43 2HB ASN 43 2.842 12.751 5.500 321 HB3 ASN 43 3HB ASN 43 3.474 11.816 6.853 322 HD21 ASN 43 1HD2 ASN 43 3.421 9.961 5.530 323 HD22 ASN 43 2HD2 ASN 43 1.939 9.126 5.224 324 H VAL 44 H VAL 44 4.003 14.300 7.654 325 HA VAL 44 HA VAL 44 4.886 13.225 10.093 326 HB VAL 44 HB VAL 44 5.606 15.903 8.893 327 HG11 VAL 44 1HG1 VAL 44 7.785 14.799 10.251 328 HG12 VAL 44 2HG1 VAL 44 6.813 16.190 10.738 329 HG13 VAL 44 3HG1 VAL 44 6.401 14.576 11.321 330 HG21 VAL 44 1HG2 VAL 44 5.943 13.997 7.355 331 HG22 VAL 44 2HG2 VAL 44 7.455 14.770 7.830 332 HG23 VAL 44 3HG2 VAL 44 6.979 13.238 8.564 333 H SER 45 H SER 45 2.946 16.067 9.350 334 HA SER 45 HA SER 45 2.992 17.216 11.929 335 HB2 SER 45 2HB SER 45 1.154 17.481 9.563 336 HB3 SER 45 3HB SER 45 0.781 18.287 11.087 337 HG SER 45 HG SER 45 3.010 19.147 10.900 338 H THR 46 H THR 46 1.271 14.548 10.592 339 HA THR 46 HA THR 46 -0.625 14.501 12.824 340 HB THR 46 HB THR 46 -1.519 12.451 11.523 341 HG1 THR 46 HG1 THR 46 -0.362 13.676 9.275 342 HG21 THR 46 1HG2 THR 46 -1.848 15.313 11.081 343 HG22 THR 46 2HG2 THR 46 -3.066 14.045 11.236 344 HG23 THR 46 3HG2 THR 46 -2.299 14.346 9.677 345 H GLY 47 H GLY 47 2.322 13.852 12.962 346 HA2 GLY 47 2HA GLY 47 3.692 12.299 13.956 347 HA3 GLY 47 3HA GLY 47 2.261 11.861 14.877 348 H ARG 48 H ARG 48 2.356 11.528 11.410 349 HA ARG 48 HA ARG 48 2.041 8.644 11.718 350 HB2 ARG 48 2HB ARG 48 1.051 10.627 9.893 351 HB3 ARG 48 3HB ARG 48 1.899 9.377 8.991 352 HG2 ARG 48 2HG ARG 48 0.010 8.216 9.074 353 HG3 ARG 48 3HG ARG 48 0.360 7.951 10.784 354 HD2 ARG 48 2HD ARG 48 -0.863 10.064 11.288 355 HD3 ARG 48 3HD ARG 48 -1.318 10.150 9.587 356 HE ARG 48 HE ARG 48 -2.481 8.485 11.596 357 HH11 ARG 48 1HH1 ARG 48 -1.778 8.725 8.194 358 HH12 ARG 48 2HH1 ARG 48 -3.066 7.668 7.720 359 HH21 ARG 48 1HH2 ARG 48 -4.181 7.092 10.983 360 HH22 ARG 48 2HH2 ARG 48 -4.433 6.740 9.307 361 H GLU 49 H GLU 49 3.439 7.140 10.934 362 HA GLU 49 HA GLU 49 6.136 7.687 10.733 363 HB2 GLU 49 2HB GLU 49 4.403 5.395 10.030 364 HB3 GLU 49 3HB GLU 49 5.983 5.425 9.259 365 HG2 GLU 49 2HG GLU 49 7.027 4.838 11.132 366 HG3 GLU 49 3HG GLU 49 6.118 5.994 12.103 367 HA PRO 50 HA PRO 50 6.977 9.227 6.714 368 HB2 PRO 50 2HB PRO 50 9.276 7.940 6.059 369 HB3 PRO 50 3HB PRO 50 9.204 9.219 7.278 370 HG2 PRO 50 2HG PRO 50 9.234 6.249 7.649 371 HG3 PRO 50 3HG PRO 50 10.112 7.497 8.550 372 HD2 PRO 50 2HD PRO 50 7.852 6.342 9.489 373 HD3 PRO 50 3HD PRO 50 8.283 8.026 9.848 374 H GLY 51 H GLY 51 6.941 5.726 7.077 375 HA2 GLY 51 2HA GLY 51 6.663 5.304 4.215 376 HA3 GLY 51 3HA GLY 51 6.712 4.058 5.453 377 H ASP 52 H ASP 52 4.596 6.883 4.984 378 HA ASP 52 HA ASP 52 2.306 5.027 4.951 379 HB2 ASP 52 2HB ASP 52 2.739 7.561 6.471 380 HB3 ASP 52 3HB ASP 52 1.110 7.186 5.917 381 H ILE 53 H ILE 53 2.604 5.100 2.607 382 HA ILE 53 HA ILE 53 1.592 7.595 1.411 383 HB ILE 53 HB ILE 53 3.765 7.070 0.531 384 HG12 ILE 53 2HG1 ILE 53 2.375 6.060 -1.807 385 HG13 ILE 53 3HG1 ILE 53 1.459 7.344 -1.024 386 HG21 ILE 53 1HG2 ILE 53 4.425 4.943 0.616 387 HG22 ILE 53 2HG2 ILE 53 2.766 4.349 0.645 388 HG23 ILE 53 3HG2 ILE 53 3.544 4.714 -0.895 389 HD11 ILE 53 1HD1 ILE 53 2.835 8.898 -1.798 390 HD12 ILE 53 2HD1 ILE 53 4.258 8.017 -1.246 391 HD13 ILE 53 3HD1 ILE 53 3.543 7.643 -2.813 392 HA PRO 54 HA PRO 54 -1.829 4.510 0.990 393 HB2 PRO 54 2HB PRO 54 -3.803 6.302 1.500 394 HB3 PRO 54 3HB PRO 54 -2.940 5.435 2.776 395 HG2 PRO 54 2HG PRO 54 -2.521 8.220 1.761 396 HG3 PRO 54 3HG PRO 54 -2.538 7.630 3.433 397 HD2 PRO 54 2HD PRO 54 -0.242 8.127 2.085 398 HD3 PRO 54 3HD PRO 54 -0.373 6.848 3.310 399 H GLU 55 H GLU 55 -4.025 5.031 -0.267 400 HA GLU 55 HA GLU 55 -4.018 6.970 -2.298 401 HB2 GLU 55 2HB GLU 55 -2.106 5.216 -2.899 402 HB3 GLU 55 3HB GLU 55 -3.475 4.321 -3.543 403 HG2 GLU 55 2HG GLU 55 -2.571 7.077 -4.335 404 HG3 GLU 55 3HG GLU 55 -2.490 5.605 -5.301 405 H THR 56 H THR 56 -5.994 6.298 -0.681 406 HA THR 56 HA THR 56 -7.952 5.100 -2.484 407 HB THR 56 HB THR 56 -8.870 3.597 -0.886 408 HG1 THR 56 HG1 THR 56 -7.995 3.474 1.250 409 HG21 THR 56 1HG2 THR 56 -5.859 3.370 -0.814 410 HG22 THR 56 2HG2 THR 56 -6.927 2.714 -2.056 411 HG23 THR 56 3HG2 THR 56 -6.990 2.078 -0.412 412 H LEU 57 H LEU 57 -10.162 5.605 -1.913 413 HA LEU 57 HA LEU 57 -10.530 8.272 -1.143 414 HB2 LEU 57 2HB LEU 57 -12.044 6.470 -2.419 415 HB3 LEU 57 3HB LEU 57 -12.802 6.403 -0.829 416 HG LEU 57 HG LEU 57 -13.997 7.926 -2.294 417 HD11 LEU 57 1HD1 LEU 57 -12.606 9.772 -0.427 418 HD12 LEU 57 2HD1 LEU 57 -13.452 8.378 0.244 419 HD13 LEU 57 3HD1 LEU 57 -14.331 9.554 -0.732 420 HD21 LEU 57 1HD2 LEU 57 -12.927 9.182 -3.774 421 HD22 LEU 57 2HD2 LEU 57 -11.377 8.677 -3.099 422 HD23 LEU 57 3HD2 LEU 57 -12.194 10.105 -2.463 423 H ASP 58 H ASP 58 -10.696 5.281 0.682 424 HA ASP 58 HA ASP 58 -11.865 6.429 3.019 425 HB2 ASP 58 2HB ASP 58 -11.507 3.883 2.171 426 HB3 ASP 58 3HB ASP 58 -10.183 4.015 3.326 427 H GLN 59 H GLN 59 -8.556 5.708 2.001 428 HA GLN 59 HA GLN 59 -7.344 6.467 4.457 429 HB2 GLN 59 2HB GLN 59 -6.412 5.807 1.718 430 HB3 GLN 59 3HB GLN 59 -5.322 6.761 2.717 431 HG2 GLN 59 2HG GLN 59 -4.634 4.905 3.692 432 HG3 GLN 59 3HG GLN 59 -6.259 4.658 4.331 433 HE21 GLN 59 1HE2 GLN 59 -4.081 3.927 1.692 434 HE22 GLN 59 2HE2 GLN 59 -4.912 2.517 1.140 435 H LEU 60 H LEU 60 -7.905 8.146 1.390 436 HA LEU 60 HA LEU 60 -6.542 10.519 2.027 437 HB2 LEU 60 2HB LEU 60 -8.549 9.670 0.036 438 HB3 LEU 60 3HB LEU 60 -8.464 11.402 0.358 439 HG LEU 60 HG LEU 60 -7.119 10.634 -1.599 440 HD11 LEU 60 1HD1 LEU 60 -6.182 12.593 -1.104 441 HD12 LEU 60 2HD1 LEU 60 -4.904 11.661 -0.326 442 HD13 LEU 60 3HD1 LEU 60 -6.249 12.282 0.631 443 HD21 LEU 60 1HD2 LEU 60 -4.974 9.512 -1.126 444 HD22 LEU 60 2HD2 LEU 60 -6.368 8.493 -0.765 445 HD23 LEU 60 3HD2 LEU 60 -5.487 9.280 0.546 446 H ARG 61 H ARG 61 -9.902 9.532 2.530 447 HA ARG 61 HA ARG 61 -10.839 12.011 3.499 448 HB2 ARG 61 2HB ARG 61 -12.298 10.154 2.721 449 HB3 ARG 61 3HB ARG 61 -11.865 9.246 4.164 450 HG2 ARG 61 2HG ARG 61 -12.726 11.499 5.318 451 HG3 ARG 61 3HG ARG 61 -13.693 11.538 3.841 452 HD2 ARG 61 2HD ARG 61 -14.970 10.386 5.481 453 HD3 ARG 61 3HD ARG 61 -14.377 9.177 4.343 454 HE ARG 61 HE ARG 61 -13.121 8.248 6.025 455 HH11 ARG 61 1HH1 ARG 61 -14.291 11.368 7.034 456 HH12 ARG 61 2HH1 ARG 61 -13.787 11.169 8.679 457 HH21 ARG 61 1HH2 ARG 61 -12.452 7.975 8.189 458 HH22 ARG 61 2HH2 ARG 61 -12.740 9.241 9.335 459 H LEU 62 H LEU 62 -9.501 9.170 5.135 460 HA LEU 62 HA LEU 62 -9.919 9.992 7.773 461 HB2 LEU 62 2HB LEU 62 -8.957 7.770 6.666 462 HB3 LEU 62 3HB LEU 62 -7.428 8.521 7.118 463 HG LEU 62 HG LEU 62 -8.034 7.011 8.854 464 HD11 LEU 62 1HD1 LEU 62 -8.191 8.486 10.772 465 HD12 LEU 62 2HD1 LEU 62 -8.735 9.807 9.740 466 HD13 LEU 62 3HD1 LEU 62 -7.101 9.168 9.564 467 HD21 LEU 62 1HD2 LEU 62 -10.590 7.352 8.108 468 HD22 LEU 62 2HD2 LEU 62 -10.566 8.356 9.557 469 HD23 LEU 62 3HD2 LEU 62 -10.115 6.653 9.655 470 H VAL 63 H VAL 63 -7.059 10.423 5.697 471 HA VAL 63 HA VAL 63 -5.467 11.812 7.512 472 HB VAL 63 HB VAL 63 -5.539 12.256 4.525 473 HG11 VAL 63 1HG1 VAL 63 -3.254 12.551 6.469 474 HG12 VAL 63 2HG1 VAL 63 -3.252 12.951 4.750 475 HG13 VAL 63 3HG1 VAL 63 -4.236 13.890 5.874 476 HG21 VAL 63 1HG2 VAL 63 -4.912 9.901 6.017 477 HG22 VAL 63 2HG2 VAL 63 -4.865 10.154 4.273 478 HG23 VAL 63 3HG2 VAL 63 -3.445 10.514 5.255 479 H ILE 64 H ILE 64 -7.777 13.067 5.120 480 HA ILE 64 HA ILE 64 -7.369 15.791 5.595 481 HB ILE 64 HB ILE 64 -9.914 14.406 4.744 482 HG12 ILE 64 2HG1 ILE 64 -8.073 15.876 2.899 483 HG13 ILE 64 3HG1 ILE 64 -7.654 14.239 3.392 484 HG21 ILE 64 1HG2 ILE 64 -9.799 16.968 3.647 485 HG22 ILE 64 2HG2 ILE 64 -10.876 16.400 4.922 486 HG23 ILE 64 3HG2 ILE 64 -9.343 17.166 5.338 487 HD11 ILE 64 1HD1 ILE 64 -9.872 13.492 2.562 488 HD12 ILE 64 2HD1 ILE 64 -10.130 15.121 1.936 489 HD13 ILE 64 3HD1 ILE 64 -8.808 14.135 1.311 490 H CYS 65 H CYS 65 -9.276 13.416 7.316 491 HA CYS 65 HA CYS 65 -10.819 15.222 8.854 492 HB2 CYS 65 2HB CYS 65 -10.736 12.478 8.521 493 HB3 CYS 65 3HB CYS 65 -10.200 12.694 10.183 494 HG CYS 65 HG CYS 65 -13.105 14.027 8.966 495 H ASP 66 H ASP 66 -7.875 13.381 9.647 496 HA ASP 66 HA ASP 66 -7.504 14.436 12.213 497 HB2 ASP 66 2HB ASP 66 -5.229 13.629 10.412 498 HB3 ASP 66 3HB ASP 66 -5.350 13.470 12.162 499 H LEU 67 H LEU 67 -6.254 15.508 9.074 500 HA LEU 67 HA LEU 67 -4.622 17.583 10.002 501 HB2 LEU 67 2HB LEU 67 -5.435 16.559 7.523 502 HB3 LEU 67 3HB LEU 67 -5.873 18.265 7.503 503 HG LEU 67 HG LEU 67 -3.118 17.115 7.941 504 HD11 LEU 67 1HD1 LEU 67 -4.240 18.779 5.691 505 HD12 LEU 67 2HD1 LEU 67 -3.921 17.046 5.621 506 HD13 LEU 67 3HD1 LEU 67 -2.587 18.181 5.831 507 HD21 LEU 67 1HD2 LEU 67 -4.263 19.734 8.555 508 HD22 LEU 67 2HD2 LEU 67 -2.825 19.804 7.535 509 HD23 LEU 67 3HD2 LEU 67 -2.758 18.995 9.102 510 H GLN 68 H GLN 68 -8.065 17.487 9.274 511 HA GLN 68 HA GLN 68 -8.567 20.250 9.412 512 HB2 GLN 68 2HB GLN 68 -10.187 18.706 8.462 513 HB3 GLN 68 3HB GLN 68 -10.383 17.913 10.019 514 HG2 GLN 68 2HG GLN 68 -10.880 20.781 10.116 515 HG3 GLN 68 3HG GLN 68 -11.961 19.914 9.026 516 HE21 GLN 68 1HE2 GLN 68 -12.003 21.153 11.896 517 HE22 GLN 68 2HE2 GLN 68 -12.893 19.975 12.792 518 H GLU 69 H GLU 69 -8.881 17.718 11.895 519 HA GLU 69 HA GLU 69 -9.758 19.308 13.990 520 HB2 GLU 69 2HB GLU 69 -8.929 16.653 13.665 521 HB3 GLU 69 3HB GLU 69 -7.887 17.307 14.922 522 HG2 GLU 69 2HG GLU 69 -9.602 17.604 16.391 523 HG3 GLU 69 3HG GLU 69 -10.801 17.828 15.118 524 H ARG 70 H ARG 70 -6.442 18.587 12.967 525 HA ARG 70 HA ARG 70 -5.223 20.108 15.051 526 HB2 ARG 70 2HB ARG 70 -4.114 18.234 13.815 527 HB3 ARG 70 3HB ARG 70 -4.022 19.280 12.404 528 HG2 ARG 70 2HG ARG 70 -2.222 20.333 13.179 529 HG3 ARG 70 3HG ARG 70 -2.923 20.525 14.788 530 HD2 ARG 70 2HD ARG 70 -1.929 17.850 13.897 531 HD3 ARG 70 3HD ARG 70 -0.786 19.069 14.459 532 HE ARG 70 HE ARG 70 -2.976 18.670 16.262 533 HH11 ARG 70 1HH1 ARG 70 0.147 17.486 15.279 534 HH12 ARG 70 2HH1 ARG 70 0.497 16.757 16.811 535 HH21 ARG 70 1HH2 ARG 70 -2.527 17.714 18.284 536 HH22 ARG 70 2HH2 ARG 70 -1.024 16.887 18.519 537 H ARG 71 H ARG 71 -6.350 20.803 11.819 538 HA ARG 71 HA ARG 71 -4.982 23.212 11.371 539 HB2 ARG 71 2HB ARG 71 -6.095 22.153 9.540 540 HB3 ARG 71 3HB ARG 71 -7.643 22.200 10.373 541 HG2 ARG 71 2HG ARG 71 -6.577 24.853 10.117 542 HG3 ARG 71 3HG ARG 71 -6.627 24.053 8.544 543 HD2 ARG 71 2HD ARG 71 -8.968 24.066 10.432 544 HD3 ARG 71 3HD ARG 71 -8.702 25.341 9.244 545 HE ARG 71 HE ARG 71 -9.689 22.703 8.747 546 HH11 ARG 71 1HH1 ARG 71 -7.925 25.367 7.365 547 HH12 ARG 71 2HH1 ARG 71 -8.320 24.952 5.731 548 HH21 ARG 71 1HH2 ARG 71 -10.216 22.145 6.599 549 HH22 ARG 71 2HH2 ARG 71 -9.624 23.119 5.295 550 H GLU 72 H GLU 72 -7.998 22.506 13.055 551 HA GLU 72 HA GLU 72 -8.639 25.275 13.484 552 HB2 GLU 72 2HB GLU 72 -9.918 22.719 13.896 553 HB3 GLU 72 3HB GLU 72 -10.060 23.715 15.337 554 HG2 GLU 72 2HG GLU 72 -10.664 25.464 13.301 555 HG3 GLU 72 3HG GLU 72 -11.391 23.948 12.770 556 H LYS 73 H LYS 73 -7.705 22.610 15.662 557 HA LYS 73 HA LYS 73 -7.416 24.072 17.991 558 HB2 LYS 73 2HB LYS 73 -7.175 21.499 17.476 559 HB3 LYS 73 3HB LYS 73 -5.462 21.890 17.385 560 HG2 LYS 73 2HG LYS 73 -5.719 22.938 19.674 561 HG3 LYS 73 3HG LYS 73 -7.307 22.171 19.737 562 HD2 LYS 73 2HD LYS 73 -5.128 20.381 18.934 563 HD3 LYS 73 3HD LYS 73 -4.980 21.021 20.573 564 HE2 LYS 73 2HE LYS 73 -7.582 19.891 19.624 565 HE3 LYS 73 3HE LYS 73 -6.293 18.815 20.162 566 HZ1 LYS 73 1HZ LYS 73 -6.493 20.794 22.078 567 HZ2 LYS 73 2HZ LYS 73 -6.979 19.181 22.221 568 HZ3 LYS 73 3HZ LYS 73 -8.086 20.356 21.717 569 H PHE 74 H PHE 74 -5.309 23.879 15.228 570 HA PHE 74 HA PHE 74 -3.185 25.319 16.627 571 HB2 PHE 74 2HB PHE 74 -2.666 23.364 15.128 572 HB3 PHE 74 3HB PHE 74 -3.203 24.343 13.766 573 HD1 PHE 74 HD1 PHE 74 -1.750 25.845 12.727 574 HD2 PHE 74 HD2 PHE 74 -0.723 24.199 16.516 575 HE1 PHE 74 HE1 PHE 74 0.506 26.806 12.529 576 HE2 PHE 74 HE2 PHE 74 1.535 25.158 16.324 577 HZ PHE 74 HZ PHE 74 2.151 26.464 14.329 578 H GLY 75 H GLY 75 -5.749 25.820 14.362 579 HA2 GLY 75 2HA GLY 75 -6.622 28.015 13.986 580 HA3 GLY 75 3HA GLY 75 -5.006 28.662 14.225 581 H SER 76 H SER 76 -6.421 29.522 12.090 582 HA SER 76 HA SER 76 -5.926 27.964 9.741 583 HB2 SER 76 2HB SER 76 -6.332 30.609 8.930 584 HB3 SER 76 3HB SER 76 -7.555 29.344 9.047 585 HG SER 76 HG SER 76 -7.343 31.569 10.484 586 H SER 77 H SER 77 -4.218 27.975 8.407 587 HA SER 77 HA SER 77 -2.303 30.154 8.449 588 HB2 SER 77 2HB SER 77 -0.870 29.149 9.854 589 HB3 SER 77 3HB SER 77 -1.847 27.681 9.888 590 HG SER 77 HG SER 77 0.436 27.690 8.947 591 H LYS 78 H LYS 78 -0.902 30.168 6.650 592 HA LYS 78 HA LYS 78 -2.001 29.170 4.267 593 HB2 LYS 78 2HB LYS 78 0.025 30.965 4.980 594 HB3 LYS 78 3HB LYS 78 0.829 29.730 4.022 595 HG2 LYS 78 2HG LYS 78 -1.714 30.845 2.981 596 HG3 LYS 78 3HG LYS 78 -0.274 31.865 2.925 597 HD2 LYS 78 2HD LYS 78 0.893 29.885 1.832 598 HD3 LYS 78 3HD LYS 78 -0.714 29.181 1.639 599 HE2 LYS 78 2HE LYS 78 -0.176 31.967 0.698 600 HE3 LYS 78 3HE LYS 78 0.328 30.594 -0.285 601 HZ1 LYS 78 1HZ LYS 78 -2.348 31.576 0.302 602 HZ2 LYS 78 2HZ LYS 78 -2.167 29.895 0.245 603 HZ3 LYS 78 3HZ LYS 78 -1.748 30.836 -1.096 604 H GLU 79 H GLU 79 0.395 27.877 6.452 605 HA GLU 79 HA GLU 79 1.369 25.873 4.655 606 HB2 GLU 79 2HB GLU 79 1.550 25.834 7.667 607 HB3 GLU 79 3HB GLU 79 2.608 25.030 6.516 608 HG2 GLU 79 2HG GLU 79 3.362 27.245 5.721 609 HG3 GLU 79 3HG GLU 79 2.373 27.994 6.974 610 H ILE 80 H ILE 80 -0.783 25.797 7.492 611 HA ILE 80 HA ILE 80 -1.432 23.055 7.263 612 HB ILE 80 HB ILE 80 -1.756 24.429 9.325 613 HG12 ILE 80 2HG1 ILE 80 -4.385 23.478 9.343 614 HG13 ILE 80 3HG1 ILE 80 -3.546 22.448 8.187 615 HG21 ILE 80 1HG2 ILE 80 -4.146 25.481 7.818 616 HG22 ILE 80 2HG2 ILE 80 -3.816 25.750 9.529 617 HG23 ILE 80 3HG2 ILE 80 -2.728 26.407 8.307 618 HD11 ILE 80 1HD1 ILE 80 -2.372 22.980 10.882 619 HD12 ILE 80 2HD1 ILE 80 -3.617 21.750 10.657 620 HD13 ILE 80 3HD1 ILE 80 -2.089 21.628 9.786 621 H ASP 81 H ASP 81 -2.736 25.945 5.804 622 HA ASP 81 HA ASP 81 -5.179 24.814 4.897 623 HB2 ASP 81 2HB ASP 81 -3.604 27.270 4.207 624 HB3 ASP 81 3HB ASP 81 -4.970 26.797 3.201 625 H MET 82 H MET 82 -2.079 25.444 3.262 626 HA MET 82 HA MET 82 -2.758 24.400 0.768 627 HB2 MET 82 2HB MET 82 -0.132 24.664 2.211 628 HB3 MET 82 3HB MET 82 -0.226 23.965 0.600 629 HG2 MET 82 2HG MET 82 -1.650 26.475 0.763 630 HG3 MET 82 3HG MET 82 0.038 26.642 1.242 631 HE1 MET 82 1HE MET 82 -1.827 25.804 -2.748 632 HE2 MET 82 2HE MET 82 -1.460 24.257 -1.983 633 HE3 MET 82 3HE MET 82 -2.477 25.435 -1.151 634 H ALA 83 H ALA 83 -1.357 22.798 3.602 635 HA ALA 83 HA ALA 83 -0.928 20.280 2.477 636 HB1 ALA 83 1HB ALA 83 -1.787 20.079 5.224 637 HB2 ALA 83 2HB ALA 83 -0.194 19.800 4.519 638 HB3 ALA 83 3HB ALA 83 -0.673 21.427 5.000 639 H ILE 84 H ILE 84 -3.766 21.493 4.255 640 HA ILE 84 HA ILE 84 -5.300 19.150 4.037 641 HB ILE 84 HB ILE 84 -6.250 22.006 4.294 642 HG12 ILE 84 2HG1 ILE 84 -6.092 19.992 6.516 643 HG13 ILE 84 3HG1 ILE 84 -4.670 20.926 6.064 644 HG21 ILE 84 1HG2 ILE 84 -8.079 20.681 3.549 645 HG22 ILE 84 2HG2 ILE 84 -7.677 19.383 4.672 646 HG23 ILE 84 3HG2 ILE 84 -8.286 20.921 5.284 647 HD11 ILE 84 1HD1 ILE 84 -7.135 21.768 7.441 648 HD12 ILE 84 2HD1 ILE 84 -5.469 22.312 7.646 649 HD13 ILE 84 3HD1 ILE 84 -6.435 22.916 6.300 650 H VAL 85 H VAL 85 -5.478 22.161 2.131 651 HA VAL 85 HA VAL 85 -7.423 21.410 0.322 652 HB VAL 85 HB VAL 85 -4.991 23.114 -0.245 653 HG11 VAL 85 1HG1 VAL 85 -7.616 22.825 -1.697 654 HG12 VAL 85 2HG1 VAL 85 -6.474 24.143 -1.973 655 HG13 VAL 85 3HG1 VAL 85 -6.002 22.478 -2.316 656 HG21 VAL 85 1HG2 VAL 85 -7.505 24.492 0.168 657 HG22 VAL 85 2HG2 VAL 85 -7.034 23.548 1.581 658 HG23 VAL 85 3HG2 VAL 85 -5.935 24.760 0.925 659 H THR 86 H THR 86 -4.075 20.459 0.470 660 HA THR 86 HA THR 86 -3.878 19.443 -2.180 661 HB THR 86 HB THR 86 -2.251 18.809 0.288 662 HG1 THR 86 HG1 THR 86 -2.276 21.004 -0.822 663 HG21 THR 86 1HG2 THR 86 -1.627 17.020 -0.962 664 HG22 THR 86 2HG2 THR 86 -0.612 18.221 -1.761 665 HG23 THR 86 3HG2 THR 86 -2.157 17.756 -2.474 666 H LEU 87 H LEU 87 -4.250 17.809 0.969 667 HA LEU 87 HA LEU 87 -4.505 15.211 0.043 668 HB2 LEU 87 2HB LEU 87 -5.396 16.672 2.465 669 HB3 LEU 87 3HB LEU 87 -6.118 15.093 2.162 670 HG LEU 87 HG LEU 87 -4.160 15.074 3.712 671 HD11 LEU 87 1HD1 LEU 87 -4.850 13.059 2.559 672 HD12 LEU 87 2HD1 LEU 87 -3.092 13.125 2.669 673 HD13 LEU 87 3HD1 LEU 87 -3.895 13.512 1.147 674 HD21 LEU 87 1HD2 LEU 87 -2.987 16.806 2.065 675 HD22 LEU 87 2HD2 LEU 87 -2.324 15.313 1.398 676 HD23 LEU 87 3HD2 LEU 87 -2.068 15.710 3.098 677 H LYS 88 H LYS 88 -6.844 17.803 0.094 678 HA LYS 88 HA LYS 88 -9.106 16.135 -0.484 679 HB2 LYS 88 2HB LYS 88 -8.587 19.031 -0.176 680 HB3 LYS 88 3HB LYS 88 -9.927 18.602 -1.231 681 HG2 LYS 88 2HG LYS 88 -11.232 18.206 0.509 682 HG3 LYS 88 3HG LYS 88 -10.068 17.056 1.174 683 HD2 LYS 88 2HD LYS 88 -9.016 18.676 2.465 684 HD3 LYS 88 3HD LYS 88 -9.622 20.003 1.470 685 HE2 LYS 88 2HE LYS 88 -11.884 19.597 2.315 686 HE3 LYS 88 3HE LYS 88 -11.279 18.269 3.303 687 HZ1 LYS 88 1HZ LYS 88 -11.576 20.679 4.269 688 HZ2 LYS 88 2HZ LYS 88 -10.027 20.893 3.626 689 HZ3 LYS 88 3HZ LYS 88 -10.306 19.681 4.773 690 H VAL 89 H VAL 89 -7.641 18.747 -2.425 691 HA VAL 89 HA VAL 89 -8.806 18.133 -4.842 692 HB VAL 89 HB VAL 89 -7.444 20.164 -4.393 693 HG11 VAL 89 1HG1 VAL 89 -5.550 18.834 -3.352 694 HG12 VAL 89 2HG1 VAL 89 -5.032 18.475 -5.000 695 HG13 VAL 89 3HG1 VAL 89 -5.089 20.146 -4.436 696 HG21 VAL 89 1HG2 VAL 89 -6.077 19.688 -6.737 697 HG22 VAL 89 2HG2 VAL 89 -7.421 18.549 -6.815 698 HG23 VAL 89 3HG2 VAL 89 -7.737 20.272 -6.606 699 H PHE 90 H PHE 90 -6.063 16.620 -3.286 700 HA PHE 90 HA PHE 90 -5.149 15.178 -5.564 701 HB2 PHE 90 2HB PHE 90 -3.635 15.556 -3.725 702 HB3 PHE 90 3HB PHE 90 -4.720 14.741 -2.603 703 HD1 PHE 90 HD1 PHE 90 -4.090 12.640 -1.962 704 HD2 PHE 90 HD2 PHE 90 -3.053 13.995 -5.863 705 HE1 PHE 90 HE1 PHE 90 -2.934 10.511 -2.391 706 HE2 PHE 90 HE2 PHE 90 -1.896 11.867 -6.297 707 HZ PHE 90 HZ PHE 90 -1.835 10.122 -4.561 708 H ALA 91 H ALA 91 -7.032 14.193 -2.704 709 HA ALA 91 HA ALA 91 -7.498 11.556 -3.357 710 HB1 ALA 91 1HB ALA 91 -9.182 11.556 -1.765 711 HB2 ALA 91 2HB ALA 91 -8.172 12.912 -1.260 712 HB3 ALA 91 3HB ALA 91 -9.674 13.209 -2.136 713 H VAL 92 H VAL 92 -9.138 14.440 -4.536 714 HA VAL 92 HA VAL 92 -11.107 12.920 -6.009 715 HB VAL 92 HB VAL 92 -10.487 15.876 -6.068 716 HG11 VAL 92 1HG1 VAL 92 -11.703 15.834 -7.947 717 HG12 VAL 92 2HG1 VAL 92 -12.285 14.196 -7.644 718 HG13 VAL 92 3HG1 VAL 92 -13.082 15.571 -6.879 719 HG21 VAL 92 1HG2 VAL 92 -12.770 15.866 -4.825 720 HG22 VAL 92 2HG2 VAL 92 -12.353 14.194 -4.446 721 HG23 VAL 92 3HG2 VAL 92 -11.292 15.506 -3.930 722 H ALA 93 H ALA 93 -8.117 14.650 -6.669 723 HA ALA 93 HA ALA 93 -8.331 14.415 -9.520 724 HB1 ALA 93 1HB ALA 93 -7.081 16.250 -8.579 725 HB2 ALA 93 2HB ALA 93 -5.990 15.131 -7.761 726 HB3 ALA 93 3HB ALA 93 -5.996 15.227 -9.522 727 H GLY 94 H GLY 94 -7.782 12.167 -7.174 728 HA2 GLY 94 2HA GLY 94 -6.116 10.527 -8.983 729 HA3 GLY 94 3HA GLY 94 -6.011 10.429 -7.232 730 H LEU 95 H LEU 95 -8.212 9.932 -6.163 731 HA LEU 95 HA LEU 95 -9.050 7.398 -7.090 732 HB2 LEU 95 2HB LEU 95 -10.220 9.252 -5.025 733 HB3 LEU 95 3HB LEU 95 -10.801 7.614 -5.314 734 HG LEU 95 HG LEU 95 -9.428 7.432 -3.433 735 HD11 LEU 95 1HD1 LEU 95 -7.671 6.762 -5.790 736 HD12 LEU 95 2HD1 LEU 95 -8.949 5.739 -5.137 737 HD13 LEU 95 3HD1 LEU 95 -7.527 6.105 -4.160 738 HD21 LEU 95 1HD2 LEU 95 -7.343 8.494 -3.109 739 HD22 LEU 95 2HD2 LEU 95 -8.416 9.725 -3.772 740 HD23 LEU 95 3HD2 LEU 95 -7.222 8.944 -4.810 741 H LEU 96 H LEU 96 -10.398 10.628 -7.391 742 HA LEU 96 HA LEU 96 -12.780 9.607 -8.724 743 HB2 LEU 96 2HB LEU 96 -12.306 11.791 -7.118 744 HB3 LEU 96 3HB LEU 96 -12.383 12.497 -8.730 745 HG LEU 96 HG LEU 96 -14.617 11.564 -9.041 746 HD11 LEU 96 1HD1 LEU 96 -14.031 10.305 -6.399 747 HD12 LEU 96 2HD1 LEU 96 -14.755 9.602 -7.845 748 HD13 LEU 96 3HD1 LEU 96 -15.694 10.700 -6.834 749 HD21 LEU 96 1HD2 LEU 96 -15.782 13.049 -7.611 750 HD22 LEU 96 2HD2 LEU 96 -14.221 13.799 -7.944 751 HD23 LEU 96 3HD2 LEU 96 -14.504 12.997 -6.397 752 H ASN 97 H ASN 97 -9.707 10.122 -9.638 753 HA ASN 97 HA ASN 97 -8.632 10.533 -11.602 754 HB2 ASN 97 2HB ASN 97 -10.433 8.703 -12.164 755 HB3 ASN 97 3HB ASN 97 -11.172 10.001 -13.097 756 HD21 ASN 97 1HD2 ASN 97 -10.788 9.317 -15.117 757 HD22 ASN 97 2HD2 ASN 97 -9.215 9.056 -15.782 758 H MET 98 H MET 98 -9.399 12.842 -10.434 759 HA MET 98 HA MET 98 -9.625 15.064 -10.863 760 HB2 MET 98 2HB MET 98 -8.530 14.012 -13.184 761 HB3 MET 98 3HB MET 98 -9.913 14.935 -13.760 762 HG2 MET 98 2HG MET 98 -7.943 16.126 -11.848 763 HG3 MET 98 3HG MET 98 -7.638 16.102 -13.583 764 HE1 MET 98 1HE MET 98 -9.938 18.595 -15.107 765 HE2 MET 98 2HE MET 98 -8.705 17.346 -15.277 766 HE3 MET 98 3HE MET 98 -10.399 16.892 -15.078 767 H THR 99 H THR 99 -11.486 15.975 -10.324 768 HA THR 99 HA THR 99 -13.714 15.986 -12.154 769 HB THR 99 HB THR 99 -14.523 15.086 -9.441 770 HG1 THR 99 HG1 THR 99 -13.843 13.103 -11.321 771 HG21 THR 99 1HG2 THR 99 -15.542 14.032 -12.047 772 HG22 THR 99 2HG2 THR 99 -15.971 15.667 -11.541 773 HG23 THR 99 3HG2 THR 99 -16.400 14.288 -10.529 774 H VAL 100 H VAL 100 -12.144 18.068 -11.301 775 HA VAL 100 HA VAL 100 -14.114 19.711 -9.925 776 HB VAL 100 HB VAL 100 -12.559 20.623 -8.317 777 HG11 VAL 100 1HG1 VAL 100 -12.580 17.607 -8.241 778 HG12 VAL 100 2HG1 VAL 100 -12.247 18.665 -6.868 779 HG13 VAL 100 3HG1 VAL 100 -13.840 18.676 -7.625 780 HG21 VAL 100 1HG2 VAL 100 -10.489 20.484 -9.500 781 HG22 VAL 100 2HG2 VAL 100 -10.318 19.552 -8.012 782 HG23 VAL 100 3HG2 VAL 100 -10.571 18.723 -9.548 783 H SER 101 H SER 101 -12.813 22.028 -9.629 784 HA SER 101 HA SER 101 -11.767 22.630 -12.318 785 HB2 SER 101 2HB SER 101 -13.444 24.431 -10.552 786 HB3 SER 101 3HB SER 101 -12.833 24.831 -12.158 787 HG SER 101 HG SER 101 -14.053 22.849 -12.811 788 H THR 102 H THR 102 -11.721 23.586 -8.906 789 HA THR 102 HA THR 102 -8.928 24.412 -9.243 790 HB THR 102 HB THR 102 -9.186 26.452 -8.064 791 HG1 THR 102 HG1 THR 102 -10.713 26.633 -6.622 792 HG21 THR 102 1HG2 THR 102 -10.469 27.737 -9.544 793 HG22 THR 102 2HG2 THR 102 -11.642 26.443 -9.793 794 HG23 THR 102 3HG2 THR 102 -10.028 26.317 -10.491 795 H ALA 103 H ALA 103 -7.730 24.505 -7.221 796 HA ALA 103 HA ALA 103 -8.028 22.262 -5.632 797 HB1 ALA 103 1HB ALA 103 -6.016 23.857 -5.917 798 HB2 ALA 103 2HB ALA 103 -6.721 24.730 -4.556 799 HB3 ALA 103 3HB ALA 103 -6.245 23.042 -4.369 800 H ALA 104 H ALA 104 -9.181 25.558 -5.070 801 HA ALA 104 HA ALA 104 -10.118 25.164 -2.442 802 HB1 ALA 104 1HB ALA 104 -9.826 27.331 -3.964 803 HB2 ALA 104 2HB ALA 104 -11.557 27.074 -4.189 804 HB3 ALA 104 3HB ALA 104 -10.903 27.291 -2.566 805 H ALA 105 H ALA 105 -11.745 24.901 -5.586 806 HA ALA 105 HA ALA 105 -14.320 24.354 -4.635 807 HB1 ALA 105 1HB ALA 105 -14.109 22.936 -7.006 808 HB2 ALA 105 2HB ALA 105 -14.618 24.615 -6.825 809 HB3 ALA 105 3HB ALA 105 -12.932 24.239 -7.173 810 H ALA 106 H ALA 106 -11.517 22.304 -5.022 811 HA ALA 106 HA ALA 106 -12.875 19.815 -4.799 812 HB1 ALA 106 1HB ALA 106 -10.183 19.640 -3.841 813 HB2 ALA 106 2HB ALA 106 -10.875 19.024 -5.342 814 HB3 ALA 106 3HB ALA 106 -10.240 20.668 -5.273 815 H GLU 107 H GLU 107 -11.047 21.786 -2.464 816 HA GLU 107 HA GLU 107 -11.431 20.092 -0.253 817 HB2 GLU 107 2HB GLU 107 -9.724 21.761 -0.147 818 HB3 GLU 107 3HB GLU 107 -10.880 23.052 -0.444 819 HG2 GLU 107 2HG GLU 107 -11.635 21.559 1.887 820 HG3 GLU 107 3HG GLU 107 -9.964 22.105 2.020 821 H ASN 108 H ASN 108 -13.232 22.962 -1.325 822 HA ASN 108 HA ASN 108 -15.104 22.975 0.772 823 HB2 ASN 108 2HB ASN 108 -14.786 24.299 -1.824 824 HB3 ASN 108 3HB ASN 108 -16.469 24.057 -1.362 825 HD21 ASN 108 1HD2 ASN 108 -13.811 26.032 -1.072 826 HD22 ASN 108 2HD2 ASN 108 -14.329 26.986 0.273 827 H MET 109 H MET 109 -15.157 21.442 -2.418 828 HA MET 109 HA MET 109 -17.799 20.439 -2.218 829 HB2 MET 109 2HB MET 109 -16.810 20.625 -4.387 830 HB3 MET 109 3HB MET 109 -15.443 19.622 -3.918 831 HG2 MET 109 2HG MET 109 -18.063 18.338 -3.640 832 HG3 MET 109 3HG MET 109 -17.607 18.752 -5.292 833 HE1 MET 109 1HE MET 109 -17.788 16.640 -6.058 834 HE2 MET 109 2HE MET 109 -16.143 16.547 -6.687 835 HE3 MET 109 3HE MET 109 -16.792 15.227 -5.712 836 H TYR 110 H TYR 110 -14.628 19.075 -1.455 837 HA TYR 110 HA TYR 110 -15.382 16.454 -0.917 838 HB2 TYR 110 2HB TYR 110 -13.029 17.501 -0.992 839 HB3 TYR 110 3HB TYR 110 -13.295 17.900 0.701 840 HD1 TYR 110 HD1 TYR 110 -13.231 16.206 2.400 841 HD2 TYR 110 HD2 TYR 110 -12.872 15.148 -1.706 842 HE1 TYR 110 HE1 TYR 110 -12.490 13.953 3.052 843 HE2 TYR 110 HE2 TYR 110 -12.131 12.891 -1.066 844 HH TYR 110 HH TYR 110 -12.446 11.372 1.016 845 H SER 111 H SER 111 -15.278 19.253 1.266 846 HA SER 111 HA SER 111 -16.304 17.753 3.494 847 HB2 SER 111 2HB SER 111 -16.324 19.900 4.666 848 HB3 SER 111 3HB SER 111 -14.795 19.687 3.812 849 HG SER 111 HG SER 111 -16.431 21.709 3.612 850 H GLN 112 H GLN 112 -17.612 19.917 1.055 851 HA GLN 112 HA GLN 112 -20.146 20.321 2.214 852 HB2 GLN 112 2HB GLN 112 -19.303 21.719 0.396 853 HB3 GLN 112 3HB GLN 112 -19.332 20.342 -0.697 854 HG2 GLN 112 2HG GLN 112 -21.542 20.498 -1.051 855 HG3 GLN 112 3HG GLN 112 -21.886 20.943 0.620 856 HE21 GLN 112 1HE2 GLN 112 -20.598 22.185 -2.419 857 HE22 GLN 112 2HE2 GLN 112 -21.087 23.822 -2.166 858 H MET 113 H MET 113 -18.838 17.761 0.206 859 HA MET 113 HA MET 113 -21.353 16.515 -0.329 860 HB2 MET 113 2HB MET 113 -18.581 16.090 -1.020 861 HB3 MET 113 3HB MET 113 -19.338 14.573 -0.552 862 HG2 MET 113 2HG MET 113 -21.005 14.793 -2.231 863 HG3 MET 113 3HG MET 113 -20.512 16.447 -2.586 864 HE1 MET 113 1HE MET 113 -19.777 12.655 -4.033 865 HE2 MET 113 2HE MET 113 -18.155 12.651 -3.341 866 HE3 MET 113 3HE MET 113 -19.557 12.902 -2.300 867 H GLY 114 H GLY 114 -19.264 16.593 2.366 868 HA2 GLY 114 2HA GLY 114 -19.973 15.765 4.488 869 HA3 GLY 114 3HA GLY 114 -20.887 14.513 3.658 870 H LEU 115 H LEU 115 -17.682 15.134 2.562 871 HA LEU 115 HA LEU 115 -16.863 12.507 3.525 872 HB2 LEU 115 2HB LEU 115 -15.336 14.366 1.719 873 HB3 LEU 115 3HB LEU 115 -15.078 12.639 1.952 874 HG LEU 115 HG LEU 115 -17.749 13.245 0.970 875 HD11 LEU 115 1HD1 LEU 115 -16.614 13.624 -1.393 876 HD12 LEU 115 2HD1 LEU 115 -15.389 14.410 -0.397 877 HD13 LEU 115 3HD1 LEU 115 -17.061 14.969 -0.343 878 HD21 LEU 115 1HD2 LEU 115 -16.948 11.013 0.936 879 HD22 LEU 115 2HD2 LEU 115 -15.461 11.486 0.113 880 HD23 LEU 115 3HD2 LEU 115 -17.003 11.556 -0.741 881 H ASP 116 H ASP 116 -16.201 15.882 4.025 882 HA ASP 116 HA ASP 116 -14.125 15.151 5.986 883 HB2 ASP 116 2HB ASP 116 -12.974 16.401 4.372 884 HB3 ASP 116 3HB ASP 116 -14.326 17.504 4.128 885 H THR 117 H THR 117 -15.031 15.214 7.938 886 HA THR 117 HA THR 117 -17.336 16.527 8.702 887 HB THR 117 HB THR 117 -16.177 14.768 10.041 888 HG1 THR 117 HG1 THR 117 -17.055 15.538 11.881 889 HG21 THR 117 1HG2 THR 117 -14.269 15.161 11.279 890 HG22 THR 117 2HG2 THR 117 -14.507 16.908 11.290 891 HG23 THR 117 3HG2 THR 117 -13.933 16.106 9.828 892 H ARG 118 H ARG 118 -17.851 18.523 9.447 893 HA ARG 118 HA ARG 118 -17.692 20.753 9.865 894 HB2 ARG 118 2HB ARG 118 -15.261 19.609 11.018 895 HB3 ARG 118 3HB ARG 118 -15.082 21.298 10.566 896 HG2 ARG 118 2HG ARG 118 -15.894 21.662 12.625 897 HG3 ARG 118 3HG ARG 118 -17.452 21.395 11.840 898 HD2 ARG 118 2HD ARG 118 -16.070 18.963 12.747 899 HD3 ARG 118 3HD ARG 118 -16.583 20.056 14.033 900 HE ARG 118 HE ARG 118 -18.251 18.382 12.457 901 HH11 ARG 118 1HH1 ARG 118 -18.136 21.482 14.037 902 HH12 ARG 118 2HH1 ARG 118 -19.852 21.578 14.261 903 HH21 ARG 118 1HH2 ARG 118 -20.511 18.496 12.745 904 HH22 ARG 118 2HH2 ARG 118 -21.202 19.877 13.526 905 HA PRO 119 HA PRO 119 -16.183 22.727 6.250 906 HB2 PRO 119 2HB PRO 119 -15.689 25.251 7.121 907 HB3 PRO 119 3HB PRO 119 -17.322 24.609 6.915 908 HG2 PRO 119 2HG PRO 119 -15.694 24.875 9.412 909 HG3 PRO 119 3HG PRO 119 -17.412 25.230 9.154 910 HD2 PRO 119 2HD PRO 119 -16.556 22.943 10.326 911 HD3 PRO 119 3HD PRO 119 -18.026 23.015 9.331 Start of MODEL 17 1 H1 GLY 2 H GLY 2 3.992 -2.074 -0.501 2 HA2 GLY 2 2HA GLY 2 4.427 -0.319 1.667 3 HA3 GLY 2 3HA GLY 2 5.642 -0.839 0.510 4 H ASN 3 H ASN 3 5.830 0.351 -1.497 5 HA ASN 3 HA ASN 3 5.132 3.177 -1.116 6 HB2 ASN 3 2HB ASN 3 7.564 2.366 -1.431 7 HB3 ASN 3 3HB ASN 3 7.124 2.144 -3.122 8 HD21 ASN 3 1HD2 ASN 3 8.916 4.049 -1.565 9 HD22 ASN 3 2HD2 ASN 3 8.491 5.606 -2.182 10 H GLY 4 H GLY 4 3.862 4.249 -2.525 11 HA2 GLY 4 2HA GLY 4 2.458 2.695 -4.522 12 HA3 GLY 4 3HA GLY 4 2.124 4.360 -4.066 13 H GLN 5 H GLN 5 2.917 2.588 -6.613 14 HA GLN 5 HA GLN 5 3.886 4.799 -8.114 15 HB2 GLN 5 2HB GLN 5 5.889 3.467 -6.789 16 HB3 GLN 5 3HB GLN 5 5.884 2.664 -8.353 17 HG2 GLN 5 2HG GLN 5 5.806 5.207 -9.175 18 HG3 GLN 5 3HG GLN 5 6.640 5.424 -7.637 19 HE21 GLN 5 1HE2 GLN 5 6.699 3.422 -10.557 20 HE22 GLN 5 2HE2 GLN 5 8.419 3.282 -10.636 21 H GLY 6 H GLY 6 2.294 4.404 -9.583 22 HA2 GLY 6 2HA GLY 6 2.772 2.360 -11.523 23 HA3 GLY 6 3HA GLY 6 1.367 1.993 -10.533 24 H ARG 7 H ARG 7 0.016 2.145 -12.370 25 HA ARG 7 HA ARG 7 -0.120 4.415 -14.037 26 HB2 ARG 7 2HB ARG 7 -1.922 2.100 -13.463 27 HB3 ARG 7 3HB ARG 7 -2.562 3.468 -14.363 28 HG2 ARG 7 2HG ARG 7 -0.040 2.055 -15.169 29 HG3 ARG 7 3HG ARG 7 -1.637 1.539 -15.713 30 HD2 ARG 7 2HD ARG 7 -1.897 4.042 -16.401 31 HD3 ARG 7 3HD ARG 7 -0.135 4.044 -16.338 32 HE ARG 7 HE ARG 7 -0.098 2.808 -18.265 33 HH11 ARG 7 1HH1 ARG 7 -3.303 2.720 -16.910 34 HH12 ARG 7 2HH1 ARG 7 -4.004 1.931 -18.284 35 HH21 ARG 7 1HH2 ARG 7 -1.009 1.769 -20.080 36 HH22 ARG 7 2HH2 ARG 7 -2.698 1.390 -20.087 37 H ASP 8 H ASP 8 -2.005 3.468 -11.180 38 HA ASP 8 HA ASP 8 -3.777 5.628 -11.154 39 HB2 ASP 8 2HB ASP 8 -3.105 3.454 -9.430 40 HB3 ASP 8 3HB ASP 8 -3.164 4.926 -8.463 41 H TRP 9 H TRP 9 -0.496 5.326 -9.933 42 HA TRP 9 HA TRP 9 -0.458 7.743 -8.458 43 HB2 TRP 9 2HB TRP 9 1.189 5.740 -8.390 44 HB3 TRP 9 3HB TRP 9 1.986 6.548 -9.736 45 HD1 TRP 9 HD1 TRP 9 4.049 7.753 -8.839 46 HE1 TRP 9 HE1 TRP 9 4.596 9.209 -6.787 47 HE3 TRP 9 HE3 TRP 9 -0.448 7.472 -6.423 48 HZ2 TRP 9 HZ2 TRP 9 3.292 10.117 -4.453 49 HZ3 TRP 9 HZ3 TRP 9 -0.715 8.662 -4.287 50 HH2 TRP 9 HH2 TRP 9 1.117 9.956 -3.324 51 H LYS 10 H LYS 10 1.019 6.973 -11.616 52 HA LYS 10 HA LYS 10 1.747 9.588 -12.272 53 HB2 LYS 10 2HB LYS 10 1.837 7.050 -13.505 54 HB3 LYS 10 3HB LYS 10 1.023 8.120 -14.639 55 HG2 LYS 10 2HG LYS 10 3.106 8.608 -15.300 56 HG3 LYS 10 3HG LYS 10 3.105 9.675 -13.894 57 HD2 LYS 10 2HD LYS 10 3.820 6.912 -13.266 58 HD3 LYS 10 3HD LYS 10 4.933 7.691 -14.393 59 HE2 LYS 10 2HE LYS 10 4.904 9.654 -12.725 60 HE3 LYS 10 3HE LYS 10 4.214 8.492 -11.592 61 HZ1 LYS 10 1HZ LYS 10 6.683 7.823 -13.048 62 HZ2 LYS 10 2HZ LYS 10 6.139 7.257 -11.550 63 HZ3 LYS 10 3HZ LYS 10 6.760 8.825 -11.688 64 H MET 11 H MET 11 -1.273 7.847 -12.759 65 HA MET 11 HA MET 11 -2.494 9.764 -14.449 66 HB2 MET 11 2HB MET 11 -3.481 7.487 -12.776 67 HB3 MET 11 3HB MET 11 -4.641 8.618 -13.460 68 HG2 MET 11 2HG MET 11 -2.664 7.637 -15.375 69 HG3 MET 11 3HG MET 11 -3.697 6.383 -14.691 70 HE1 MET 11 1HE MET 11 -3.284 7.697 -17.711 71 HE2 MET 11 2HE MET 11 -4.669 8.637 -18.269 72 HE3 MET 11 3HE MET 11 -3.473 9.377 -17.203 73 H ALA 12 H ALA 12 -2.223 9.431 -10.975 74 HA ALA 12 HA ALA 12 -4.220 11.319 -10.276 75 HB1 ALA 12 1HB ALA 12 -3.496 11.082 -8.085 76 HB2 ALA 12 2HB ALA 12 -3.058 9.535 -8.812 77 HB3 ALA 12 3HB ALA 12 -1.826 10.772 -8.564 78 H ILE 13 H ILE 13 -0.696 11.574 -10.655 79 HA ILE 13 HA ILE 13 -0.558 14.328 -9.989 80 HB ILE 13 HB ILE 13 1.370 12.660 -11.608 81 HG12 ILE 13 2HG1 ILE 13 0.962 11.814 -9.315 82 HG13 ILE 13 3HG1 ILE 13 2.606 12.405 -9.528 83 HG21 ILE 13 1HG2 ILE 13 1.420 15.463 -10.649 84 HG22 ILE 13 2HG2 ILE 13 2.917 14.538 -10.534 85 HG23 ILE 13 3HG2 ILE 13 2.127 14.746 -12.097 86 HD11 ILE 13 1HD1 ILE 13 0.379 13.969 -8.248 87 HD12 ILE 13 2HD1 ILE 13 1.605 13.050 -7.375 88 HD13 ILE 13 3HD1 ILE 13 2.076 14.436 -8.359 89 H LYS 14 H LYS 14 -0.564 12.608 -13.102 90 HA LYS 14 HA LYS 14 -0.329 14.810 -14.784 91 HB2 LYS 14 2HB LYS 14 -1.273 12.033 -15.037 92 HB3 LYS 14 3HB LYS 14 -1.947 13.144 -16.222 93 HG2 LYS 14 2HG LYS 14 -0.011 12.185 -17.186 94 HG3 LYS 14 3HG LYS 14 0.400 13.848 -16.756 95 HD2 LYS 14 2HD LYS 14 1.395 12.966 -14.637 96 HD3 LYS 14 3HD LYS 14 1.130 11.335 -15.255 97 HE2 LYS 14 2HE LYS 14 2.632 11.681 -17.057 98 HE3 LYS 14 3HE LYS 14 2.702 13.416 -16.755 99 HZ1 LYS 14 1HZ LYS 14 3.554 12.488 -14.422 100 HZ2 LYS 14 2HZ LYS 14 4.594 12.840 -15.708 101 HZ3 LYS 14 3HZ LYS 14 4.106 11.245 -15.428 102 H ARG 15 H ARG 15 -3.256 13.292 -13.465 103 HA ARG 15 HA ARG 15 -5.123 14.928 -14.767 104 HB2 ARG 15 2HB ARG 15 -5.191 13.288 -12.256 105 HB3 ARG 15 3HB ARG 15 -6.557 14.312 -12.679 106 HG2 ARG 15 2HG ARG 15 -5.443 12.337 -14.634 107 HG3 ARG 15 3HG ARG 15 -6.600 11.851 -13.393 108 HD2 ARG 15 2HD ARG 15 -8.244 13.363 -14.232 109 HD3 ARG 15 3HD ARG 15 -7.080 14.110 -15.325 110 HE ARG 15 HE ARG 15 -7.333 11.343 -15.871 111 HH11 ARG 15 1HH1 ARG 15 -8.980 14.384 -16.260 112 HH12 ARG 15 2HH1 ARG 15 -9.837 13.888 -17.681 113 HH21 ARG 15 1HH2 ARG 15 -8.456 10.676 -17.742 114 HH22 ARG 15 2HH2 ARG 15 -9.539 11.778 -18.523 115 H CYS 16 H CYS 16 -3.535 15.271 -11.615 116 HA CYS 16 HA CYS 16 -4.900 17.596 -10.806 117 HB2 CYS 16 2HB CYS 16 -2.915 15.920 -9.742 118 HB3 CYS 16 3HB CYS 16 -2.188 17.521 -9.807 119 HG CYS 16 HG CYS 16 -5.292 17.420 -8.524 120 H SER 17 H SER 17 -2.274 17.083 -12.999 121 HA SER 17 HA SER 17 -1.009 19.554 -12.975 122 HB2 SER 17 2HB SER 17 -0.685 17.292 -14.418 123 HB3 SER 17 3HB SER 17 -1.425 18.325 -15.641 124 HG SER 17 HG SER 17 0.979 18.360 -15.362 125 H ASN 18 H ASN 18 -4.123 18.659 -14.203 126 HA ASN 18 HA ASN 18 -4.410 21.190 -15.638 127 HB2 ASN 18 2HB ASN 18 -6.208 18.765 -15.454 128 HB3 ASN 18 3HB ASN 18 -6.611 20.225 -16.352 129 HD21 ASN 18 1HD2 ASN 18 -5.083 20.872 -18.049 130 HD22 ASN 18 2HD2 ASN 18 -4.291 19.631 -18.955 131 H VAL 19 H VAL 19 -4.242 21.014 -12.693 132 HA VAL 19 HA VAL 19 -6.890 22.125 -12.021 133 HB VAL 19 HB VAL 19 -4.909 20.790 -10.168 134 HG11 VAL 19 1HG1 VAL 19 -7.494 22.229 -9.691 135 HG12 VAL 19 2HG1 VAL 19 -6.954 20.951 -8.600 136 HG13 VAL 19 3HG1 VAL 19 -5.957 22.386 -8.841 137 HG21 VAL 19 1HG2 VAL 19 -7.675 19.830 -10.832 138 HG22 VAL 19 2HG2 VAL 19 -6.275 19.359 -11.796 139 HG23 VAL 19 3HG2 VAL 19 -6.347 18.943 -10.083 140 H ALA 20 H ALA 20 -6.996 24.050 -10.902 141 HA ALA 20 HA ALA 20 -4.556 25.662 -10.976 142 HB1 ALA 20 1HB ALA 20 -5.894 27.288 -11.668 143 HB2 ALA 20 2HB ALA 20 -7.265 26.184 -11.571 144 HB3 ALA 20 3HB ALA 20 -6.834 27.180 -10.181 145 H VAL 21 H VAL 21 -3.569 26.451 -9.202 146 HA VAL 21 HA VAL 21 -4.749 25.763 -6.592 147 HB VAL 21 HB VAL 21 -2.365 25.969 -5.749 148 HG11 VAL 21 1HG1 VAL 21 -3.729 23.837 -6.557 149 HG12 VAL 21 2HG1 VAL 21 -2.413 23.763 -7.732 150 HG13 VAL 21 3HG1 VAL 21 -2.057 23.729 -6.004 151 HG21 VAL 21 1HG2 VAL 21 -0.558 25.948 -7.246 152 HG22 VAL 21 2HG2 VAL 21 -1.594 25.603 -8.630 153 HG23 VAL 21 3HG2 VAL 21 -1.640 27.194 -7.870 154 H GLY 22 H GLY 22 -5.305 28.188 -8.141 155 HA2 GLY 22 2HA GLY 22 -3.927 30.274 -6.619 156 HA3 GLY 22 3HA GLY 22 -4.967 30.525 -8.013 157 H VAL 23 H VAL 23 -5.363 32.178 -5.970 158 HA VAL 23 HA VAL 23 -7.910 31.237 -4.842 159 HB VAL 23 HB VAL 23 -7.423 32.486 -2.750 160 HG11 VAL 23 1HG1 VAL 23 -6.988 29.987 -3.143 161 HG12 VAL 23 2HG1 VAL 23 -5.279 30.430 -3.172 162 HG13 VAL 23 3HG1 VAL 23 -6.248 30.744 -1.732 163 HG21 VAL 23 1HG2 VAL 23 -4.622 32.544 -2.758 164 HG22 VAL 23 2HG2 VAL 23 -5.123 33.308 -4.266 165 HG23 VAL 23 3HG2 VAL 23 -5.724 33.921 -2.726 166 H GLY 24 H GLY 24 -7.540 32.800 -7.170 167 HA2 GLY 24 2HA GLY 24 -8.753 34.578 -8.056 168 HA3 GLY 24 3HA GLY 24 -9.124 35.106 -6.421 169 H GLY 25 H GLY 25 -5.864 34.468 -7.542 170 HA2 GLY 25 2HA GLY 25 -5.250 37.166 -8.231 171 HA3 GLY 25 3HA GLY 25 -4.756 36.807 -6.583 172 H LYS 26 H LYS 26 -3.948 34.154 -6.890 173 HA LYS 26 HA LYS 26 -1.474 34.559 -8.401 174 HB2 LYS 26 2HB LYS 26 -2.254 32.629 -6.220 175 HB3 LYS 26 3HB LYS 26 -0.757 32.468 -7.130 176 HG2 LYS 26 2HG LYS 26 -0.370 34.938 -6.409 177 HG3 LYS 26 3HG LYS 26 -1.560 34.560 -5.161 178 HD2 LYS 26 2HD LYS 26 0.639 32.614 -5.556 179 HD3 LYS 26 3HD LYS 26 1.064 34.166 -4.830 180 HE2 LYS 26 2HE LYS 26 0.243 33.500 -2.878 181 HE3 LYS 26 3HE LYS 26 -1.331 33.212 -3.616 182 HZ1 LYS 26 1HZ LYS 26 0.006 31.287 -2.482 183 HZ2 LYS 26 2HZ LYS 26 0.764 31.200 -3.990 184 HZ3 LYS 26 3HZ LYS 26 -0.912 31.002 -3.874 185 H SER 27 H SER 27 -1.415 33.791 -10.400 186 HA SER 27 HA SER 27 -3.180 31.618 -11.192 187 HB2 SER 27 2HB SER 27 -2.072 33.881 -12.497 188 HB3 SER 27 3HB SER 27 -1.442 32.451 -13.314 189 HG SER 27 HG SER 27 -3.718 33.487 -13.772 190 H LYS 28 H LYS 28 -2.483 29.631 -10.752 191 HA LYS 28 HA LYS 28 0.002 28.711 -11.880 192 HB2 LYS 28 2HB LYS 28 -0.352 29.044 -8.930 193 HB3 LYS 28 3HB LYS 28 0.554 27.656 -9.522 194 HG2 LYS 28 2HG LYS 28 1.701 29.657 -10.940 195 HG3 LYS 28 3HG LYS 28 1.280 30.497 -9.445 196 HD2 LYS 28 2HD LYS 28 3.481 29.624 -9.176 197 HD3 LYS 28 3HD LYS 28 2.401 28.631 -8.195 198 HE2 LYS 28 2HE LYS 28 3.200 26.841 -9.241 199 HE3 LYS 28 3HE LYS 28 2.447 27.430 -10.723 200 HZ1 LYS 28 1HZ LYS 28 4.435 28.506 -11.358 201 HZ2 LYS 28 2HZ LYS 28 4.882 26.949 -10.872 202 HZ3 LYS 28 3HZ LYS 28 5.152 28.265 -9.844 203 H LYS 29 H LYS 29 0.205 26.386 -11.826 204 HA LYS 29 HA LYS 29 -2.396 25.058 -11.445 205 HB2 LYS 29 2HB LYS 29 -1.461 23.368 -13.094 206 HB3 LYS 29 3HB LYS 29 -1.837 24.959 -13.743 207 HG2 LYS 29 2HG LYS 29 0.304 25.400 -14.251 208 HG3 LYS 29 3HG LYS 29 0.920 24.630 -12.787 209 HD2 LYS 29 2HD LYS 29 0.462 22.418 -13.835 210 HD3 LYS 29 3HD LYS 29 0.017 23.262 -15.321 211 HE2 LYS 29 2HE LYS 29 2.344 22.429 -15.339 212 HE3 LYS 29 3HE LYS 29 2.238 24.179 -15.516 213 HZ1 LYS 29 1HZ LYS 29 2.970 24.510 -13.338 214 HZ2 LYS 29 2HZ LYS 29 3.968 23.276 -13.920 215 HZ3 LYS 29 3HZ LYS 29 2.683 22.907 -12.884 216 H PHE 30 H PHE 30 -2.105 22.599 -11.117 217 HA PHE 30 HA PHE 30 -0.495 22.266 -8.745 218 HB2 PHE 30 2HB PHE 30 -2.885 21.161 -9.699 219 HB3 PHE 30 3HB PHE 30 -1.735 19.828 -9.693 220 HD1 PHE 30 HD1 PHE 30 -4.130 21.454 -7.806 221 HD2 PHE 30 HD2 PHE 30 -0.229 19.786 -7.464 222 HE1 PHE 30 HE1 PHE 30 -4.459 21.191 -5.383 223 HE2 PHE 30 HE2 PHE 30 -0.552 19.520 -5.040 224 HZ PHE 30 HZ PHE 30 -2.669 20.222 -3.995 225 H GLY 31 H GLY 31 1.344 21.104 -8.524 226 HA2 GLY 31 2HA GLY 31 2.328 19.664 -10.907 227 HA3 GLY 31 3HA GLY 31 3.368 20.749 -9.998 228 H GLU 32 H GLU 32 4.205 18.209 -10.379 229 HA GLU 32 HA GLU 32 3.427 16.354 -8.408 230 HB2 GLU 32 2HB GLU 32 5.589 15.238 -8.915 231 HB3 GLU 32 3HB GLU 32 4.648 15.617 -10.350 232 HG2 GLU 32 2HG GLU 32 6.601 16.400 -11.112 233 HG3 GLU 32 3HG GLU 32 6.167 17.832 -10.180 234 H GLY 33 H GLY 33 6.015 18.778 -8.483 235 HA2 GLY 33 2HA GLY 33 7.248 18.118 -6.060 236 HA3 GLY 33 3HA GLY 33 7.267 19.711 -6.802 237 H ASN 34 H ASN 34 4.639 20.452 -6.692 238 HA ASN 34 HA ASN 34 4.378 21.364 -4.053 239 HB2 ASN 34 2HB ASN 34 2.643 21.392 -6.481 240 HB3 ASN 34 3HB ASN 34 1.907 21.787 -4.930 241 HD21 ASN 34 1HD2 ASN 34 1.636 23.815 -6.293 242 HD22 ASN 34 2HD2 ASN 34 2.869 25.013 -6.124 243 H PHE 35 H PHE 35 2.743 18.740 -5.783 244 HA PHE 35 HA PHE 35 0.892 18.009 -3.851 245 HB2 PHE 35 2HB PHE 35 0.738 17.004 -6.003 246 HB3 PHE 35 3HB PHE 35 2.375 16.364 -5.898 247 HD1 PHE 35 HD1 PHE 35 2.555 14.114 -5.539 248 HD2 PHE 35 HD2 PHE 35 -0.800 16.189 -3.938 249 HE1 PHE 35 HE1 PHE 35 1.669 11.995 -4.655 250 HE2 PHE 35 HE2 PHE 35 -1.689 14.073 -3.051 251 HZ PHE 35 HZ PHE 35 -0.454 11.973 -3.408 252 H ARG 36 H ARG 36 4.268 16.997 -4.211 253 HA ARG 36 HA ARG 36 4.310 15.125 -2.119 254 HB2 ARG 36 2HB ARG 36 6.651 16.837 -2.949 255 HB3 ARG 36 3HB ARG 36 6.687 15.216 -2.267 256 HG2 ARG 36 2HG ARG 36 5.151 15.033 -4.604 257 HG3 ARG 36 3HG ARG 36 6.548 16.033 -5.007 258 HD2 ARG 36 2HD ARG 36 6.570 13.272 -3.798 259 HD3 ARG 36 3HD ARG 36 7.089 13.725 -5.421 260 HE ARG 36 HE ARG 36 8.598 13.963 -2.997 261 HH11 ARG 36 1HH1 ARG 36 8.140 15.254 -6.197 262 HH12 ARG 36 2HH1 ARG 36 9.753 15.872 -6.321 263 HH21 ARG 36 1HH2 ARG 36 10.726 14.773 -3.147 264 HH22 ARG 36 2HH2 ARG 36 11.223 15.597 -4.586 265 H TRP 37 H TRP 37 5.370 18.529 -2.133 266 HA TRP 37 HA TRP 37 6.082 18.755 0.529 267 HB2 TRP 37 2HB TRP 37 6.597 20.560 -0.927 268 HB3 TRP 37 3HB TRP 37 4.908 20.771 -1.383 269 HD1 TRP 37 HD1 TRP 37 7.458 21.869 1.156 270 HE1 TRP 37 HE1 TRP 37 6.388 23.557 2.777 271 HE3 TRP 37 HE3 TRP 37 2.563 21.312 -0.207 272 HZ2 TRP 37 HZ2 TRP 37 3.810 24.523 3.398 273 HZ3 TRP 37 HZ3 TRP 37 0.856 22.655 0.949 274 HH2 TRP 37 HH2 TRP 37 1.469 24.227 2.715 275 H ALA 38 H ALA 38 2.902 18.739 -0.920 276 HA ALA 38 HA ALA 38 1.565 19.605 1.485 277 HB1 ALA 38 1HB ALA 38 0.064 20.164 -0.056 278 HB2 ALA 38 2HB ALA 38 0.848 19.159 -1.277 279 HB3 ALA 38 3HB ALA 38 -0.338 18.451 -0.181 280 H ILE 39 H ILE 39 1.285 16.608 -0.436 281 HA ILE 39 HA ILE 39 -0.045 15.068 1.413 282 HB ILE 39 HB ILE 39 0.437 14.381 -0.925 283 HG12 ILE 39 2HG1 ILE 39 1.486 12.086 0.588 284 HG13 ILE 39 3HG1 ILE 39 0.042 12.814 1.284 285 HG21 ILE 39 1HG2 ILE 39 2.514 13.536 -1.604 286 HG22 ILE 39 2HG2 ILE 39 2.902 15.004 -0.709 287 HG23 ILE 39 3HG2 ILE 39 3.110 13.427 0.052 288 HD11 ILE 39 1HD1 ILE 39 0.397 11.478 -1.362 289 HD12 ILE 39 2HD1 ILE 39 -0.814 11.190 -0.110 290 HD13 ILE 39 3HD1 ILE 39 -0.906 12.640 -1.111 291 H ARG 40 H ARG 40 3.373 15.833 1.265 292 HA ARG 40 HA ARG 40 4.157 13.931 3.256 293 HB2 ARG 40 2HB ARG 40 5.705 14.821 1.526 294 HB3 ARG 40 3HB ARG 40 5.622 16.397 2.301 295 HG2 ARG 40 2HG ARG 40 6.734 15.612 4.231 296 HG3 ARG 40 3HG ARG 40 6.553 13.928 3.737 297 HD2 ARG 40 2HD ARG 40 8.820 14.628 3.334 298 HD3 ARG 40 3HD ARG 40 8.006 14.388 1.788 299 HE ARG 40 HE ARG 40 7.739 17.074 2.462 300 HH11 ARG 40 1HH1 ARG 40 10.278 14.820 1.690 301 HH12 ARG 40 2HH1 ARG 40 11.319 16.025 1.009 302 HH21 ARG 40 1HH2 ARG 40 9.101 18.670 1.567 303 HH22 ARG 40 2HH2 ARG 40 10.649 18.215 0.940 304 H MET 41 H MET 41 3.942 17.495 3.277 305 HA MET 41 HA MET 41 4.442 17.885 5.977 306 HB2 MET 41 2HB MET 41 2.888 19.444 3.937 307 HB3 MET 41 3HB MET 41 2.930 19.976 5.613 308 HG2 MET 41 2HG MET 41 5.532 19.354 4.371 309 HG3 MET 41 3HG MET 41 4.685 20.775 3.763 310 HE1 MET 41 1HE MET 41 7.140 20.301 7.422 311 HE2 MET 41 2HE MET 41 6.874 19.214 6.059 312 HE3 MET 41 3HE MET 41 7.714 20.746 5.814 313 H ALA 42 H ALA 42 1.435 17.067 4.341 314 HA ALA 42 HA ALA 42 -0.250 17.416 6.605 315 HB1 ALA 42 1HB ALA 42 -1.419 17.475 4.618 316 HB2 ALA 42 2HB ALA 42 -0.550 16.098 3.941 317 HB3 ALA 42 3HB ALA 42 -1.769 15.844 5.190 318 H ASN 43 H ASN 43 1.367 14.604 5.172 319 HA ASN 43 HA ASN 43 0.279 12.634 6.828 320 HB2 ASN 43 2HB ASN 43 2.586 12.870 5.024 321 HB3 ASN 43 3HB ASN 43 2.812 11.705 6.324 322 HD21 ASN 43 1HD2 ASN 43 2.887 10.288 4.372 323 HD22 ASN 43 2HD2 ASN 43 1.391 9.616 3.824 324 H VAL 44 H VAL 44 3.318 14.456 7.185 325 HA VAL 44 HA VAL 44 4.119 13.315 9.615 326 HB VAL 44 HB VAL 44 4.693 16.103 8.602 327 HG11 VAL 44 1HG1 VAL 44 5.959 14.429 10.757 328 HG12 VAL 44 2HG1 VAL 44 6.766 15.814 10.018 329 HG13 VAL 44 3HG1 VAL 44 5.255 16.039 10.898 330 HG21 VAL 44 1HG2 VAL 44 6.401 13.640 8.323 331 HG22 VAL 44 2HG2 VAL 44 5.294 14.198 7.069 332 HG23 VAL 44 3HG2 VAL 44 6.643 15.216 7.571 333 H SER 45 H SER 45 2.110 16.143 8.928 334 HA SER 45 HA SER 45 1.872 17.164 11.502 335 HB2 SER 45 2HB SER 45 -0.166 17.141 9.264 336 HB3 SER 45 3HB SER 45 -0.284 18.137 10.715 337 HG SER 45 HG SER 45 0.873 18.830 8.539 338 H THR 46 H THR 46 0.463 14.339 10.082 339 HA THR 46 HA THR 46 -1.351 13.999 12.363 340 HB THR 46 HB THR 46 -2.126 11.965 10.975 341 HG1 THR 46 HG1 THR 46 -1.440 11.841 8.935 342 HG21 THR 46 1HG2 THR 46 -3.813 13.239 10.114 343 HG22 THR 46 2HG2 THR 46 -2.713 14.461 9.475 344 HG23 THR 46 3HG2 THR 46 -3.100 14.434 11.195 345 H GLY 47 H GLY 47 1.540 13.689 12.614 346 HA2 GLY 47 2HA GLY 47 3.082 12.235 13.503 347 HA3 GLY 47 3HA GLY 47 1.688 11.460 14.241 348 H ARG 48 H ARG 48 2.036 11.641 10.780 349 HA ARG 48 HA ARG 48 2.320 8.722 10.717 350 HB2 ARG 48 2HB ARG 48 0.610 10.448 9.358 351 HB3 ARG 48 3HB ARG 48 1.810 9.998 8.154 352 HG2 ARG 48 2HG ARG 48 0.097 8.426 7.927 353 HG3 ARG 48 3HG ARG 48 1.363 7.591 8.830 354 HD2 ARG 48 2HD ARG 48 -0.751 9.031 10.350 355 HD3 ARG 48 3HD ARG 48 -1.168 7.499 9.583 356 HE ARG 48 HE ARG 48 0.424 7.867 11.920 357 HH11 ARG 48 1HH1 ARG 48 -0.020 5.837 9.126 358 HH12 ARG 48 2HH1 ARG 48 0.665 4.433 9.876 359 HH21 ARG 48 1HH2 ARG 48 1.328 6.026 12.918 360 HH22 ARG 48 2HH2 ARG 48 1.431 4.541 12.033 361 H GLU 49 H GLU 49 4.049 7.740 9.834 362 HA GLU 49 HA GLU 49 6.477 9.017 9.538 363 HB2 GLU 49 2HB GLU 49 5.394 6.377 8.717 364 HB3 GLU 49 3HB GLU 49 6.897 6.889 7.962 365 HG2 GLU 49 2HG GLU 49 8.003 6.197 9.741 366 HG3 GLU 49 3HG GLU 49 7.158 7.396 10.720 367 HA PRO 50 HA PRO 50 6.605 10.923 5.590 368 HB2 PRO 50 2HB PRO 50 9.120 10.353 4.744 369 HB3 PRO 50 3HB PRO 50 8.781 11.502 6.044 370 HG2 PRO 50 2HG PRO 50 9.644 8.640 6.221 371 HG3 PRO 50 3HG PRO 50 10.205 10.037 7.157 372 HD2 PRO 50 2HD PRO 50 8.409 8.259 8.129 373 HD3 PRO 50 3HD PRO 50 8.388 9.978 8.573 374 H GLY 51 H GLY 51 7.569 7.537 5.723 375 HA2 GLY 51 2HA GLY 51 7.216 7.195 2.857 376 HA3 GLY 51 3HA GLY 51 7.699 5.956 4.005 377 H ASP 52 H ASP 52 4.850 8.085 3.840 378 HA ASP 52 HA ASP 52 3.174 5.665 3.961 379 HB2 ASP 52 2HB ASP 52 3.104 8.184 5.436 380 HB3 ASP 52 3HB ASP 52 1.549 7.775 4.716 381 H ILE 53 H ILE 53 2.435 5.224 1.987 382 HA ILE 53 HA ILE 53 1.492 7.461 0.316 383 HB ILE 53 HB ILE 53 2.316 4.719 -0.641 384 HG12 ILE 53 2HG1 ILE 53 4.251 5.902 0.276 385 HG13 ILE 53 3HG1 ILE 53 4.358 5.818 -1.480 386 HG21 ILE 53 1HG2 ILE 53 1.024 5.445 -2.353 387 HG22 ILE 53 2HG2 ILE 53 1.223 7.144 -1.928 388 HG23 ILE 53 3HG2 ILE 53 2.505 6.296 -2.792 389 HD11 ILE 53 1HD1 ILE 53 4.658 8.005 -1.517 390 HD12 ILE 53 2HD1 ILE 53 3.028 8.215 -0.875 391 HD13 ILE 53 3HD1 ILE 53 4.401 8.102 0.225 392 HA PRO 54 HA PRO 54 -2.249 5.007 1.559 393 HB2 PRO 54 2HB PRO 54 -3.786 7.182 2.085 394 HB3 PRO 54 3HB PRO 54 -2.713 6.451 3.284 395 HG2 PRO 54 2HG PRO 54 -2.269 8.859 1.562 396 HG3 PRO 54 3HG PRO 54 -1.894 8.628 3.280 397 HD2 PRO 54 2HD PRO 54 -0.015 8.435 1.340 398 HD3 PRO 54 3HD PRO 54 0.049 7.472 2.830 399 H GLU 55 H GLU 55 -3.252 4.256 -0.197 400 HA GLU 55 HA GLU 55 -4.099 6.179 -2.263 401 HB2 GLU 55 2HB GLU 55 -2.400 4.410 -2.908 402 HB3 GLU 55 3HB GLU 55 -3.670 3.219 -2.660 403 HG2 GLU 55 2HG GLU 55 -4.813 5.132 -4.318 404 HG3 GLU 55 3HG GLU 55 -3.168 4.934 -4.920 405 H THR 56 H THR 56 -5.759 6.032 -0.167 406 HA THR 56 HA THR 56 -8.097 4.724 -1.319 407 HB THR 56 HB THR 56 -8.778 3.632 0.698 408 HG1 THR 56 HG1 THR 56 -7.962 4.135 2.597 409 HG21 THR 56 1HG2 THR 56 -6.963 1.995 1.034 410 HG22 THR 56 2HG2 THR 56 -5.862 3.059 0.158 411 HG23 THR 56 3HG2 THR 56 -7.242 2.341 -0.673 412 H LEU 57 H LEU 57 -9.867 5.963 -1.171 413 HA LEU 57 HA LEU 57 -9.803 8.605 -0.383 414 HB2 LEU 57 2HB LEU 57 -11.552 7.216 -1.747 415 HB3 LEU 57 3HB LEU 57 -12.358 7.074 -0.186 416 HG LEU 57 HG LEU 57 -12.139 9.686 -0.176 417 HD11 LEU 57 1HD1 LEU 57 -12.397 10.588 -2.479 418 HD12 LEU 57 2HD1 LEU 57 -11.931 9.006 -3.104 419 HD13 LEU 57 3HD1 LEU 57 -10.792 9.944 -2.138 420 HD21 LEU 57 1HD2 LEU 57 -14.232 8.390 -0.188 421 HD22 LEU 57 2HD2 LEU 57 -14.130 8.268 -1.944 422 HD23 LEU 57 3HD2 LEU 57 -14.339 9.844 -1.180 423 H ASP 58 H ASP 58 -10.472 5.756 1.518 424 HA ASP 58 HA ASP 58 -11.594 7.089 3.764 425 HB2 ASP 58 2HB ASP 58 -12.076 4.795 3.648 426 HB3 ASP 58 3HB ASP 58 -10.398 4.366 3.329 427 H GLN 59 H GLN 59 -8.323 6.197 2.826 428 HA GLN 59 HA GLN 59 -7.087 6.784 5.304 429 HB2 GLN 59 2HB GLN 59 -6.156 6.367 2.505 430 HB3 GLN 59 3HB GLN 59 -5.047 7.130 3.636 431 HG2 GLN 59 2HG GLN 59 -5.240 5.219 5.133 432 HG3 GLN 59 3HG GLN 59 -6.371 4.455 4.017 433 HE21 GLN 59 1HE2 GLN 59 -5.456 4.370 1.692 434 HE22 GLN 59 2HE2 GLN 59 -3.838 3.779 1.562 435 H LEU 60 H LEU 60 -7.620 8.698 2.371 436 HA LEU 60 HA LEU 60 -6.238 11.000 3.295 437 HB2 LEU 60 2HB LEU 60 -8.193 10.461 1.096 438 HB3 LEU 60 3HB LEU 60 -7.713 12.114 1.475 439 HG LEU 60 HG LEU 60 -6.420 11.277 -0.387 440 HD11 LEU 60 1HD1 LEU 60 -5.336 12.284 2.025 441 HD12 LEU 60 2HD1 LEU 60 -4.728 12.480 0.382 442 HD13 LEU 60 3HD1 LEU 60 -4.189 11.118 1.365 443 HD21 LEU 60 1HD2 LEU 60 -6.632 8.870 0.216 444 HD22 LEU 60 2HD2 LEU 60 -5.403 9.121 1.457 445 HD23 LEU 60 3HD2 LEU 60 -5.000 9.355 -0.244 446 H ARG 61 H ARG 61 -9.510 9.831 3.633 447 HA ARG 61 HA ARG 61 -10.621 12.301 4.543 448 HB2 ARG 61 2HB ARG 61 -12.045 10.591 3.555 449 HB3 ARG 61 3HB ARG 61 -11.608 9.458 4.827 450 HG2 ARG 61 2HG ARG 61 -12.606 11.792 6.076 451 HG3 ARG 61 3HG ARG 61 -13.718 11.356 4.777 452 HD2 ARG 61 2HD ARG 61 -12.753 9.549 6.990 453 HD3 ARG 61 3HD ARG 61 -14.357 10.268 6.855 454 HE ARG 61 HE ARG 61 -13.424 7.919 5.547 455 HH11 ARG 61 1HH1 ARG 61 -15.532 10.664 5.176 456 HH12 ARG 61 2HH1 ARG 61 -16.598 9.862 4.071 457 HH21 ARG 61 1HH2 ARG 61 -14.821 6.850 4.094 458 HH22 ARG 61 2HH2 ARG 61 -16.193 7.692 3.458 459 H LEU 62 H LEU 62 -9.084 9.548 6.067 460 HA LEU 62 HA LEU 62 -9.834 10.217 8.735 461 HB2 LEU 62 2HB LEU 62 -8.741 8.032 7.537 462 HB3 LEU 62 3HB LEU 62 -7.342 8.714 8.364 463 HG LEU 62 HG LEU 62 -8.394 7.007 9.727 464 HD11 LEU 62 1HD1 LEU 62 -9.006 9.704 10.913 465 HD12 LEU 62 2HD1 LEU 62 -7.375 9.050 10.761 466 HD13 LEU 62 3HD1 LEU 62 -8.567 8.222 11.762 467 HD21 LEU 62 1HD2 LEU 62 -10.597 6.780 10.008 468 HD22 LEU 62 2HD2 LEU 62 -10.759 7.919 8.671 469 HD23 LEU 62 3HD2 LEU 62 -10.823 8.499 10.336 470 H VAL 63 H VAL 63 -6.958 10.801 6.755 471 HA VAL 63 HA VAL 63 -5.406 12.026 8.766 472 HB VAL 63 HB VAL 63 -5.277 12.512 5.787 473 HG11 VAL 63 1HG1 VAL 63 -4.079 14.169 7.168 474 HG12 VAL 63 2HG1 VAL 63 -3.156 12.857 7.903 475 HG13 VAL 63 3HG1 VAL 63 -2.992 13.194 6.179 476 HG21 VAL 63 1HG2 VAL 63 -3.226 10.784 6.715 477 HG22 VAL 63 2HG2 VAL 63 -4.771 10.150 7.280 478 HG23 VAL 63 3HG2 VAL 63 -4.513 10.439 5.560 479 H ILE 64 H ILE 64 -7.474 13.419 6.227 480 HA ILE 64 HA ILE 64 -7.056 16.113 6.944 481 HB ILE 64 HB ILE 64 -7.972 15.507 4.770 482 HG12 ILE 64 2HG1 ILE 64 -9.948 17.121 6.397 483 HG13 ILE 64 3HG1 ILE 64 -8.453 17.745 5.709 484 HG21 ILE 64 1HG2 ILE 64 -10.034 14.487 4.424 485 HG22 ILE 64 2HG2 ILE 64 -9.375 13.613 5.806 486 HG23 ILE 64 3HG2 ILE 64 -10.600 14.858 6.052 487 HD11 ILE 64 1HD1 ILE 64 -9.909 16.514 3.622 488 HD12 ILE 64 2HD1 ILE 64 -11.014 17.559 4.517 489 HD13 ILE 64 3HD1 ILE 64 -9.525 18.221 3.842 490 H CYS 65 H CYS 65 -9.291 13.673 8.093 491 HA CYS 65 HA CYS 65 -11.100 15.343 9.440 492 HB2 CYS 65 2HB CYS 65 -10.410 12.479 9.459 493 HB3 CYS 65 3HB CYS 65 -11.101 13.077 10.961 494 HG CYS 65 HG CYS 65 -13.543 13.044 10.182 495 H ASP 66 H ASP 66 -8.291 13.557 10.715 496 HA ASP 66 HA ASP 66 -8.443 14.793 13.282 497 HB2 ASP 66 2HB ASP 66 -6.473 13.013 11.895 498 HB3 ASP 66 3HB ASP 66 -6.003 13.824 13.386 499 H LEU 67 H LEU 67 -6.577 15.381 10.352 500 HA LEU 67 HA LEU 67 -4.803 17.290 11.429 501 HB2 LEU 67 2HB LEU 67 -4.568 16.090 9.242 502 HB3 LEU 67 3HB LEU 67 -5.811 17.158 8.594 503 HG LEU 67 HG LEU 67 -4.357 19.085 8.954 504 HD11 LEU 67 1HD1 LEU 67 -3.106 18.431 10.870 505 HD12 LEU 67 2HD1 LEU 67 -1.963 18.655 9.547 506 HD13 LEU 67 3HD1 LEU 67 -2.440 17.029 10.031 507 HD21 LEU 67 1HD2 LEU 67 -4.261 17.537 6.887 508 HD22 LEU 67 2HD2 LEU 67 -2.692 17.046 7.528 509 HD23 LEU 67 3HD2 LEU 67 -2.987 18.736 7.115 510 H GLN 68 H GLN 68 -8.047 17.532 10.108 511 HA GLN 68 HA GLN 68 -8.096 20.378 9.970 512 HB2 GLN 68 2HB GLN 68 -9.622 19.138 8.597 513 HB3 GLN 68 3HB GLN 68 -10.294 18.310 9.995 514 HG2 GLN 68 2HG GLN 68 -11.723 20.120 9.042 515 HG3 GLN 68 3HG GLN 68 -11.363 20.277 10.761 516 HE21 GLN 68 1HE2 GLN 68 -11.751 22.480 10.762 517 HE22 GLN 68 2HE2 GLN 68 -10.669 23.613 10.033 518 H GLU 69 H GLU 69 -9.355 18.015 12.307 519 HA GLU 69 HA GLU 69 -10.531 19.845 14.069 520 HB2 GLU 69 2HB GLU 69 -10.373 17.132 13.946 521 HB3 GLU 69 3HB GLU 69 -9.300 17.465 15.299 522 HG2 GLU 69 2HG GLU 69 -11.977 18.760 15.240 523 HG3 GLU 69 3HG GLU 69 -11.861 17.052 15.662 524 H ARG 70 H ARG 70 -7.262 18.470 14.017 525 HA ARG 70 HA ARG 70 -6.352 19.718 16.376 526 HB2 ARG 70 2HB ARG 70 -4.828 18.735 13.958 527 HB3 ARG 70 3HB ARG 70 -4.074 19.251 15.461 528 HG2 ARG 70 2HG ARG 70 -4.882 17.421 16.642 529 HG3 ARG 70 3HG ARG 70 -6.139 17.086 15.449 530 HD2 ARG 70 2HD ARG 70 -4.387 16.452 13.831 531 HD3 ARG 70 3HD ARG 70 -3.169 16.717 15.076 532 HE ARG 70 HE ARG 70 -5.231 14.846 15.815 533 HH11 ARG 70 1HH1 ARG 70 -2.129 15.266 14.292 534 HH12 ARG 70 2HH1 ARG 70 -1.639 13.623 14.541 535 HH21 ARG 70 1HH2 ARG 70 -4.598 12.681 16.149 536 HH22 ARG 70 2HH2 ARG 70 -3.044 12.154 15.597 537 H ARG 71 H ARG 71 -5.686 20.568 12.973 538 HA ARG 71 HA ARG 71 -4.372 22.970 13.465 539 HB2 ARG 71 2HB ARG 71 -4.481 21.771 11.272 540 HB3 ARG 71 3HB ARG 71 -6.127 22.363 11.081 541 HG2 ARG 71 2HG ARG 71 -4.490 23.697 9.832 542 HG3 ARG 71 3HG ARG 71 -5.346 24.645 11.048 543 HD2 ARG 71 2HD ARG 71 -2.921 23.439 12.093 544 HD3 ARG 71 3HD ARG 71 -2.604 24.484 10.710 545 HE ARG 71 HE ARG 71 -4.323 25.822 12.473 546 HH11 ARG 71 1HH1 ARG 71 -1.033 24.698 12.293 547 HH12 ARG 71 2HH1 ARG 71 -0.417 25.929 13.346 548 HH21 ARG 71 1HH2 ARG 71 -3.526 27.447 13.860 549 HH22 ARG 71 2HH2 ARG 71 -1.836 27.492 14.236 550 H GLU 72 H GLU 72 -7.803 22.256 13.258 551 HA GLU 72 HA GLU 72 -8.802 24.856 13.053 552 HB2 GLU 72 2HB GLU 72 -10.241 22.939 12.741 553 HB3 GLU 72 3HB GLU 72 -9.979 22.423 14.401 554 HG2 GLU 72 2HG GLU 72 -11.100 25.130 13.972 555 HG3 GLU 72 3HG GLU 72 -12.143 23.748 13.645 556 H LYS 73 H LYS 73 -8.355 22.885 15.991 557 HA LYS 73 HA LYS 73 -9.000 24.964 17.791 558 HB2 LYS 73 2HB LYS 73 -8.038 22.219 17.942 559 HB3 LYS 73 3HB LYS 73 -7.320 23.241 19.181 560 HG2 LYS 73 2HG LYS 73 -10.260 23.373 18.764 561 HG3 LYS 73 3HG LYS 73 -9.580 21.970 19.592 562 HD2 LYS 73 2HD LYS 73 -8.346 23.672 21.058 563 HD3 LYS 73 3HD LYS 73 -9.468 24.864 20.394 564 HE2 LYS 73 2HE LYS 73 -10.951 22.576 21.216 565 HE3 LYS 73 3HE LYS 73 -9.877 23.046 22.531 566 HZ1 LYS 73 1HZ LYS 73 -11.375 24.587 23.023 567 HZ2 LYS 73 2HZ LYS 73 -12.243 24.324 21.595 568 HZ3 LYS 73 3HZ LYS 73 -10.937 25.398 21.604 569 H PHE 74 H PHE 74 -6.154 24.235 16.015 570 HA PHE 74 HA PHE 74 -4.388 25.727 17.759 571 HB2 PHE 74 2HB PHE 74 -4.083 24.106 15.285 572 HB3 PHE 74 3HB PHE 74 -2.887 25.365 15.572 573 HD1 PHE 74 HD1 PHE 74 -0.957 24.637 16.552 574 HD2 PHE 74 HD2 PHE 74 -4.629 22.764 17.610 575 HE1 PHE 74 HE1 PHE 74 0.252 23.141 18.086 576 HE2 PHE 74 HE2 PHE 74 -3.427 21.266 19.146 577 HZ PHE 74 HZ PHE 74 -0.983 21.453 19.386 578 H GLY 75 H GLY 75 -6.426 26.330 15.060 579 HA2 GLY 75 2HA GLY 75 -7.028 28.634 14.604 580 HA3 GLY 75 3HA GLY 75 -5.355 29.075 14.914 581 H SER 76 H SER 76 -5.607 30.190 12.822 582 HA SER 76 HA SER 76 -5.885 28.645 10.432 583 HB2 SER 76 2HB SER 76 -5.513 30.686 9.255 584 HB3 SER 76 3HB SER 76 -6.450 31.107 10.689 585 HG SER 76 HG SER 76 -4.118 31.393 11.566 586 H SER 77 H SER 77 -4.220 28.517 8.750 587 HA SER 77 HA SER 77 -1.497 28.959 9.191 588 HB2 SER 77 2HB SER 77 -1.109 27.340 10.740 589 HB3 SER 77 3HB SER 77 -2.564 26.440 10.311 590 HG SER 77 HG SER 77 -0.382 25.512 9.786 591 H LYS 78 H LYS 78 -1.131 29.390 7.108 592 HA LYS 78 HA LYS 78 -2.391 28.175 4.921 593 HB2 LYS 78 2HB LYS 78 -0.598 29.216 3.564 594 HB3 LYS 78 3HB LYS 78 -1.330 30.337 4.705 595 HG2 LYS 78 2HG LYS 78 0.594 30.677 5.778 596 HG3 LYS 78 3HG LYS 78 1.004 28.960 5.779 597 HD2 LYS 78 2HD LYS 78 2.660 29.760 4.419 598 HD3 LYS 78 3HD LYS 78 1.420 29.416 3.211 599 HE2 LYS 78 2HE LYS 78 1.925 31.537 2.580 600 HE3 LYS 78 3HE LYS 78 0.715 31.912 3.805 601 HZ1 LYS 78 1HZ LYS 78 3.018 31.749 5.227 602 HZ2 LYS 78 2HZ LYS 78 2.294 33.183 4.697 603 HZ3 LYS 78 3HZ LYS 78 3.529 32.474 3.786 604 H GLU 79 H GLU 79 0.196 27.104 6.897 605 HA GLU 79 HA GLU 79 1.528 25.426 5.043 606 HB2 GLU 79 2HB GLU 79 1.376 25.457 8.050 607 HB3 GLU 79 3HB GLU 79 2.295 24.238 7.181 608 HG2 GLU 79 2HG GLU 79 2.766 27.135 6.642 609 HG3 GLU 79 3HG GLU 79 3.483 26.362 8.053 610 H ILE 80 H ILE 80 -0.574 24.460 7.759 611 HA ILE 80 HA ILE 80 -1.003 21.851 6.714 612 HB ILE 80 HB ILE 80 -2.542 23.347 8.838 613 HG12 ILE 80 2HG1 ILE 80 -0.306 21.320 9.047 614 HG13 ILE 80 3HG1 ILE 80 -0.171 23.041 9.388 615 HG21 ILE 80 1HG2 ILE 80 -2.649 20.548 9.209 616 HG22 ILE 80 2HG2 ILE 80 -3.974 21.655 8.855 617 HG23 ILE 80 3HG2 ILE 80 -3.099 20.878 7.536 618 HD11 ILE 80 1HD1 ILE 80 -0.840 20.971 11.157 619 HD12 ILE 80 2HD1 ILE 80 -0.810 22.706 11.474 620 HD13 ILE 80 3HD1 ILE 80 -2.301 21.934 10.933 621 H ASP 81 H ASP 81 -2.819 24.865 6.601 622 HA ASP 81 HA ASP 81 -5.253 23.929 5.642 623 HB2 ASP 81 2HB ASP 81 -3.786 26.526 5.220 624 HB3 ASP 81 3HB ASP 81 -5.377 26.238 4.520 625 H MET 82 H MET 82 -2.373 24.932 3.815 626 HA MET 82 HA MET 82 -3.470 24.430 1.260 627 HB2 MET 82 2HB MET 82 -0.656 24.700 2.286 628 HB3 MET 82 3HB MET 82 -0.980 24.315 0.601 629 HG2 MET 82 2HG MET 82 -2.533 26.580 1.528 630 HG3 MET 82 3HG MET 82 -0.799 26.832 1.709 631 HE1 MET 82 1HE MET 82 -2.857 25.756 -2.263 632 HE2 MET 82 2HE MET 82 -2.142 24.481 -1.276 633 HE3 MET 82 3HE MET 82 -3.481 25.439 -0.644 634 H ALA 83 H ALA 83 -1.301 22.496 3.313 635 HA ALA 83 HA ALA 83 -0.942 20.311 1.662 636 HB1 ALA 83 1HB ALA 83 -1.318 19.972 4.616 637 HB2 ALA 83 2HB ALA 83 -0.204 19.138 3.533 638 HB3 ALA 83 3HB ALA 83 0.082 20.824 3.964 639 H ILE 84 H ILE 84 -3.632 21.021 3.841 640 HA ILE 84 HA ILE 84 -4.960 18.551 3.592 641 HB ILE 84 HB ILE 84 -6.059 21.293 4.210 642 HG12 ILE 84 2HG1 ILE 84 -5.786 19.065 6.185 643 HG13 ILE 84 3HG1 ILE 84 -4.348 19.972 5.729 644 HG21 ILE 84 1HG2 ILE 84 -7.379 18.661 3.927 645 HG22 ILE 84 2HG2 ILE 84 -7.864 19.657 5.298 646 HG23 ILE 84 3HG2 ILE 84 -8.013 20.284 3.657 647 HD11 ILE 84 1HD1 ILE 84 -5.448 20.805 7.776 648 HD12 ILE 84 2HD1 ILE 84 -5.334 22.016 6.499 649 HD13 ILE 84 3HD1 ILE 84 -6.868 21.205 6.811 650 H VAL 85 H VAL 85 -5.586 21.655 1.949 651 HA VAL 85 HA VAL 85 -7.630 20.865 0.279 652 HB VAL 85 HB VAL 85 -5.400 22.793 -0.385 653 HG11 VAL 85 1HG1 VAL 85 -8.117 22.383 -1.621 654 HG12 VAL 85 2HG1 VAL 85 -7.107 23.802 -1.904 655 HG13 VAL 85 3HG1 VAL 85 -6.545 22.204 -2.399 656 HG21 VAL 85 1HG2 VAL 85 -7.680 24.225 0.238 657 HG22 VAL 85 2HG2 VAL 85 -7.662 22.928 1.432 658 HG23 VAL 85 3HG2 VAL 85 -6.272 24.002 1.277 659 H THR 86 H THR 86 -4.203 20.241 0.001 660 HA THR 86 HA THR 86 -4.219 19.385 -2.708 661 HB THR 86 HB THR 86 -2.283 18.822 -0.460 662 HG1 THR 86 HG1 THR 86 -2.001 20.894 -1.023 663 HG21 THR 86 1HG2 THR 86 -2.417 17.775 -3.218 664 HG22 THR 86 2HG2 THR 86 -1.644 17.099 -1.785 665 HG23 THR 86 3HG2 THR 86 -0.846 18.380 -2.697 666 H LEU 87 H LEU 87 -4.102 17.550 0.350 667 HA LEU 87 HA LEU 87 -4.270 14.999 -0.764 668 HB2 LEU 87 2HB LEU 87 -5.216 16.044 1.896 669 HB3 LEU 87 3HB LEU 87 -5.197 14.334 1.471 670 HG LEU 87 HG LEU 87 -2.805 16.151 1.745 671 HD11 LEU 87 1HD1 LEU 87 -3.464 15.595 3.901 672 HD12 LEU 87 2HD1 LEU 87 -2.274 14.355 3.510 673 HD13 LEU 87 3HD1 LEU 87 -3.995 13.981 3.430 674 HD21 LEU 87 1HD2 LEU 87 -1.739 14.755 0.386 675 HD22 LEU 87 2HD2 LEU 87 -3.150 13.704 0.269 676 HD23 LEU 87 3HD2 LEU 87 -1.993 13.484 1.583 677 H LYS 88 H LYS 88 -6.742 17.377 -0.133 678 HA LYS 88 HA LYS 88 -8.965 15.608 -0.406 679 HB2 LYS 88 2HB LYS 88 -8.569 18.551 -0.236 680 HB3 LYS 88 3HB LYS 88 -10.074 17.980 -0.946 681 HG2 LYS 88 2HG LYS 88 -10.355 16.562 1.134 682 HG3 LYS 88 3HG LYS 88 -9.029 17.500 1.826 683 HD2 LYS 88 2HD LYS 88 -11.454 18.818 0.638 684 HD3 LYS 88 3HD LYS 88 -11.415 18.280 2.319 685 HE2 LYS 88 2HE LYS 88 -9.033 19.682 1.949 686 HE3 LYS 88 3HE LYS 88 -10.257 20.633 1.109 687 HZ1 LYS 88 1HZ LYS 88 -11.528 20.071 3.379 688 HZ2 LYS 88 2HZ LYS 88 -10.596 21.464 3.153 689 HZ3 LYS 88 3HZ LYS 88 -9.935 20.124 3.945 690 H VAL 89 H VAL 89 -7.900 18.263 -2.541 691 HA VAL 89 HA VAL 89 -9.433 17.553 -4.747 692 HB VAL 89 HB VAL 89 -8.255 19.712 -4.527 693 HG11 VAL 89 1HG1 VAL 89 -5.756 18.313 -5.427 694 HG12 VAL 89 2HG1 VAL 89 -5.942 19.962 -4.824 695 HG13 VAL 89 3HG1 VAL 89 -6.107 18.594 -3.722 696 HG21 VAL 89 1HG2 VAL 89 -8.809 18.313 -6.811 697 HG22 VAL 89 2HG2 VAL 89 -8.357 20.016 -6.745 698 HG23 VAL 89 3HG2 VAL 89 -7.130 18.790 -7.063 699 H PHE 90 H PHE 90 -6.322 16.349 -3.677 700 HA PHE 90 HA PHE 90 -5.721 14.946 -6.095 701 HB2 PHE 90 2HB PHE 90 -3.893 15.585 -4.674 702 HB3 PHE 90 3HB PHE 90 -4.599 14.744 -3.297 703 HD1 PHE 90 HD1 PHE 90 -4.345 12.389 -3.019 704 HD2 PHE 90 HD2 PHE 90 -2.873 14.326 -6.512 705 HE1 PHE 90 HE1 PHE 90 -3.070 10.366 -3.600 706 HE2 PHE 90 HE2 PHE 90 -1.598 12.306 -7.099 707 HZ PHE 90 HZ PHE 90 -1.695 10.322 -5.642 708 H ALA 91 H ALA 91 -7.377 14.185 -3.108 709 HA ALA 91 HA ALA 91 -7.441 11.371 -3.427 710 HB1 ALA 91 1HB ALA 91 -9.248 11.439 -1.748 711 HB2 ALA 91 2HB ALA 91 -7.834 12.378 -1.266 712 HB3 ALA 91 3HB ALA 91 -9.272 13.199 -1.877 713 H VAL 92 H VAL 92 -9.785 13.924 -4.219 714 HA VAL 92 HA VAL 92 -11.682 12.112 -5.354 715 HB VAL 92 HB VAL 92 -12.809 14.148 -6.199 716 HG11 VAL 92 1HG1 VAL 92 -13.389 15.066 -4.025 717 HG12 VAL 92 2HG1 VAL 92 -13.236 13.311 -3.930 718 HG13 VAL 92 3HG1 VAL 92 -11.945 14.344 -3.314 719 HG21 VAL 92 1HG2 VAL 92 -11.363 15.803 -6.720 720 HG22 VAL 92 2HG2 VAL 92 -11.646 16.287 -5.048 721 HG23 VAL 92 3HG2 VAL 92 -10.215 15.344 -5.463 722 H ALA 93 H ALA 93 -9.159 14.218 -6.642 723 HA ALA 93 HA ALA 93 -9.809 13.655 -9.385 724 HB1 ALA 93 1HB ALA 93 -7.976 15.035 -9.955 725 HB2 ALA 93 2HB ALA 93 -8.727 15.774 -8.540 726 HB3 ALA 93 3HB ALA 93 -7.240 14.841 -8.364 727 H GLY 94 H GLY 94 -8.186 11.974 -6.957 728 HA2 GLY 94 2HA GLY 94 -6.562 10.480 -8.913 729 HA3 GLY 94 3HA GLY 94 -6.268 10.522 -7.180 730 H LEU 95 H LEU 95 -8.095 9.604 -5.823 731 HA LEU 95 HA LEU 95 -8.508 6.922 -6.532 732 HB2 LEU 95 2HB LEU 95 -9.751 8.686 -4.443 733 HB3 LEU 95 3HB LEU 95 -10.189 6.987 -4.617 734 HG LEU 95 HG LEU 95 -8.611 7.139 -2.850 735 HD11 LEU 95 1HD1 LEU 95 -6.837 5.721 -3.627 736 HD12 LEU 95 2HD1 LEU 95 -7.098 6.234 -5.294 737 HD13 LEU 95 3HD1 LEU 95 -8.325 5.278 -4.463 738 HD21 LEU 95 1HD2 LEU 95 -6.718 8.556 -4.717 739 HD22 LEU 95 2HD2 LEU 95 -6.492 8.229 -2.999 740 HD23 LEU 95 3HD2 LEU 95 -7.726 9.377 -3.525 741 H LEU 96 H LEU 96 -10.502 9.778 -6.930 742 HA LEU 96 HA LEU 96 -12.657 8.142 -8.065 743 HB2 LEU 96 2HB LEU 96 -12.669 10.374 -6.396 744 HB3 LEU 96 3HB LEU 96 -13.185 10.983 -7.968 745 HG LEU 96 HG LEU 96 -14.553 8.532 -7.132 746 HD11 LEU 96 1HD1 LEU 96 -14.765 9.186 -4.981 747 HD12 LEU 96 2HD1 LEU 96 -16.030 10.211 -5.659 748 HD13 LEU 96 3HD1 LEU 96 -14.428 10.878 -5.346 749 HD21 LEU 96 1HD2 LEU 96 -16.510 9.867 -7.844 750 HD22 LEU 96 2HD2 LEU 96 -15.249 9.775 -9.075 751 HD23 LEU 96 3HD2 LEU 96 -15.438 11.242 -8.112 752 H ASN 97 H ASN 97 -9.937 9.631 -9.090 753 HA ASN 97 HA ASN 97 -9.179 10.478 -11.066 754 HB2 ASN 97 2HB ASN 97 -9.986 8.169 -11.708 755 HB3 ASN 97 3HB ASN 97 -11.465 8.927 -12.290 756 HD21 ASN 97 1HD2 ASN 97 -10.915 8.050 -14.355 757 HD22 ASN 97 2HD2 ASN 97 -9.768 8.858 -15.363 758 H MET 98 H MET 98 -11.188 12.045 -9.645 759 HA MET 98 HA MET 98 -13.031 13.171 -11.483 760 HB2 MET 98 2HB MET 98 -13.072 13.264 -8.918 761 HB3 MET 98 3HB MET 98 -11.932 14.595 -9.069 762 HG2 MET 98 2HG MET 98 -13.485 16.011 -9.969 763 HG3 MET 98 3HG MET 98 -14.461 14.698 -10.626 764 HE1 MET 98 1HE MET 98 -16.123 17.178 -8.733 765 HE2 MET 98 2HE MET 98 -15.290 17.179 -7.179 766 HE3 MET 98 3HE MET 98 -14.375 17.405 -8.671 767 H THR 99 H THR 99 -12.992 15.318 -12.379 768 HA THR 99 HA THR 99 -10.271 16.150 -13.123 769 HB THR 99 HB THR 99 -11.228 17.170 -15.104 770 HG1 THR 99 HG1 THR 99 -13.237 17.837 -14.511 771 HG21 THR 99 1HG2 THR 99 -11.043 14.469 -14.653 772 HG22 THR 99 2HG2 THR 99 -11.294 15.226 -16.226 773 HG23 THR 99 3HG2 THR 99 -12.674 14.637 -15.300 774 H VAL 100 H VAL 100 -10.682 17.105 -10.760 775 HA VAL 100 HA VAL 100 -12.236 19.339 -10.309 776 HB VAL 100 HB VAL 100 -9.422 18.955 -9.277 777 HG11 VAL 100 1HG1 VAL 100 -10.252 20.242 -7.342 778 HG12 VAL 100 2HG1 VAL 100 -10.286 21.173 -8.840 779 HG13 VAL 100 3HG1 VAL 100 -11.778 20.494 -8.188 780 HG21 VAL 100 1HG2 VAL 100 -10.487 16.957 -8.721 781 HG22 VAL 100 2HG2 VAL 100 -10.718 17.958 -7.289 782 HG23 VAL 100 3HG2 VAL 100 -12.037 17.748 -8.441 783 H SER 101 H SER 101 -11.920 21.565 -10.496 784 HA SER 101 HA SER 101 -10.147 22.333 -12.693 785 HB2 SER 101 2HB SER 101 -12.543 23.658 -11.422 786 HB3 SER 101 3HB SER 101 -11.500 24.500 -12.569 787 HG SER 101 HG SER 101 -12.680 21.998 -13.157 788 H THR 102 H THR 102 -10.856 23.097 -9.328 789 HA THR 102 HA THR 102 -8.223 24.334 -9.092 790 HB THR 102 HB THR 102 -8.981 26.320 -8.023 791 HG1 THR 102 HG1 THR 102 -10.825 26.310 -7.000 792 HG21 THR 102 1HG2 THR 102 -10.205 27.438 -9.771 793 HG22 THR 102 2HG2 THR 102 -10.809 25.901 -10.388 794 HG23 THR 102 3HG2 THR 102 -9.093 26.287 -10.514 795 H ALA 103 H ALA 103 -7.325 24.206 -7.040 796 HA ALA 103 HA ALA 103 -7.960 22.049 -5.445 797 HB1 ALA 103 1HB ALA 103 -6.087 22.612 -4.387 798 HB2 ALA 103 2HB ALA 103 -5.995 24.008 -5.462 799 HB3 ALA 103 3HB ALA 103 -6.758 24.162 -3.879 800 H ALA 104 H ALA 104 -9.105 25.369 -5.224 801 HA ALA 104 HA ALA 104 -10.324 25.207 -2.695 802 HB1 ALA 104 1HB ALA 104 -10.707 27.354 -3.099 803 HB2 ALA 104 2HB ALA 104 -10.076 27.131 -4.731 804 HB3 ALA 104 3HB ALA 104 -11.802 26.948 -4.420 805 H ALA 105 H ALA 105 -11.738 24.832 -5.947 806 HA ALA 105 HA ALA 105 -14.344 24.261 -5.212 807 HB1 ALA 105 1HB ALA 105 -12.664 23.630 -7.574 808 HB2 ALA 105 2HB ALA 105 -14.192 22.764 -7.396 809 HB3 ALA 105 3HB ALA 105 -14.179 24.527 -7.465 810 H ALA 106 H ALA 106 -11.573 22.075 -5.465 811 HA ALA 106 HA ALA 106 -12.977 19.673 -5.017 812 HB1 ALA 106 1HB ALA 106 -10.372 19.403 -3.958 813 HB2 ALA 106 2HB ALA 106 -10.974 18.872 -5.529 814 HB3 ALA 106 3HB ALA 106 -10.263 20.477 -5.354 815 H GLU 107 H GLU 107 -11.460 21.983 -2.815 816 HA GLU 107 HA GLU 107 -11.720 20.464 -0.460 817 HB2 GLU 107 2HB GLU 107 -10.254 22.350 -0.454 818 HB3 GLU 107 3HB GLU 107 -11.549 23.439 -0.931 819 HG2 GLU 107 2HG GLU 107 -12.447 23.519 1.172 820 HG3 GLU 107 3HG GLU 107 -11.808 21.940 1.624 821 H ASN 108 H ASN 108 -13.766 23.103 -1.712 822 HA ASN 108 HA ASN 108 -15.736 23.003 0.247 823 HB2 ASN 108 2HB ASN 108 -15.905 23.785 -2.668 824 HB3 ASN 108 3HB ASN 108 -17.226 24.018 -1.526 825 HD21 ASN 108 1HD2 ASN 108 -16.234 26.159 -2.826 826 HD22 ASN 108 2HD2 ASN 108 -15.337 27.163 -1.743 827 H MET 109 H MET 109 -15.277 21.033 -2.615 828 HA MET 109 HA MET 109 -17.845 19.787 -2.524 829 HB2 MET 109 2HB MET 109 -16.480 19.914 -4.583 830 HB3 MET 109 3HB MET 109 -15.301 18.834 -3.851 831 HG2 MET 109 2HG MET 109 -16.640 17.535 -5.303 832 HG3 MET 109 3HG MET 109 -17.110 17.126 -3.656 833 HE1 MET 109 1HE MET 109 -20.718 17.962 -3.384 834 HE2 MET 109 2HE MET 109 -19.466 16.752 -3.106 835 HE3 MET 109 3HE MET 109 -19.273 18.383 -2.464 836 H TYR 110 H TYR 110 -14.581 18.748 -1.560 837 HA TYR 110 HA TYR 110 -15.165 16.213 -0.640 838 HB2 TYR 110 2HB TYR 110 -12.929 17.743 -0.688 839 HB3 TYR 110 3HB TYR 110 -13.279 17.755 1.036 840 HD1 TYR 110 HD1 TYR 110 -12.551 15.568 -1.854 841 HD2 TYR 110 HD2 TYR 110 -12.894 15.832 2.379 842 HE1 TYR 110 HE1 TYR 110 -11.513 13.348 -1.638 843 HE2 TYR 110 HE2 TYR 110 -11.856 13.614 2.607 844 HH TYR 110 HH TYR 110 -10.711 11.997 1.518 845 H SER 111 H SER 111 -15.638 19.311 0.956 846 HA SER 111 HA SER 111 -16.511 18.057 3.421 847 HB2 SER 111 2HB SER 111 -15.199 20.237 3.303 848 HB3 SER 111 3HB SER 111 -16.685 20.990 2.725 849 HG SER 111 HG SER 111 -16.151 19.819 5.235 850 H GLN 112 H GLN 112 -17.902 19.689 0.640 851 HA GLN 112 HA GLN 112 -20.496 20.088 1.587 852 HB2 GLN 112 2HB GLN 112 -19.213 19.885 -1.072 853 HB3 GLN 112 3HB GLN 112 -20.948 19.604 -1.034 854 HG2 GLN 112 2HG GLN 112 -19.704 22.023 0.226 855 HG3 GLN 112 3HG GLN 112 -20.151 21.973 -1.479 856 HE21 GLN 112 1HE2 GLN 112 -21.623 23.678 -1.059 857 HE22 GLN 112 2HE2 GLN 112 -23.155 23.363 -0.326 858 H MET 113 H MET 113 -18.983 17.243 0.157 859 HA MET 113 HA MET 113 -21.416 15.729 0.054 860 HB2 MET 113 2HB MET 113 -18.667 15.390 -0.777 861 HB3 MET 113 3HB MET 113 -19.257 13.941 0.024 862 HG2 MET 113 2HG MET 113 -20.956 13.623 -1.545 863 HG3 MET 113 3HG MET 113 -20.827 15.274 -2.148 864 HE1 MET 113 1HE MET 113 -20.975 12.467 -3.648 865 HE2 MET 113 2HE MET 113 -19.497 11.989 -4.484 866 HE3 MET 113 3HE MET 113 -19.723 11.575 -2.784 867 H GLY 114 H GLY 114 -19.042 16.407 2.451 868 HA2 GLY 114 2HA GLY 114 -19.527 15.991 4.762 869 HA3 GLY 114 3HA GLY 114 -20.416 14.554 4.277 870 H LEU 115 H LEU 115 -17.325 15.232 2.857 871 HA LEU 115 HA LEU 115 -16.240 12.869 4.202 872 HB2 LEU 115 2HB LEU 115 -14.976 14.346 1.916 873 HB3 LEU 115 3HB LEU 115 -14.697 12.684 2.434 874 HG LEU 115 HG LEU 115 -17.435 12.933 1.706 875 HD11 LEU 115 1HD1 LEU 115 -16.940 13.411 -0.771 876 HD12 LEU 115 2HD1 LEU 115 -15.496 14.228 -0.175 877 HD13 LEU 115 3HD1 LEU 115 -17.091 14.779 0.333 878 HD21 LEU 115 1HD2 LEU 115 -17.001 11.021 0.553 879 HD22 LEU 115 2HD2 LEU 115 -15.580 11.036 1.599 880 HD23 LEU 115 3HD2 LEU 115 -15.458 11.608 -0.066 881 H ASP 116 H ASP 116 -15.825 16.302 3.924 882 HA ASP 116 HA ASP 116 -13.398 16.152 5.585 883 HB2 ASP 116 2HB ASP 116 -12.814 17.364 3.666 884 HB3 ASP 116 3HB ASP 116 -14.367 18.190 3.601 885 H THR 117 H THR 117 -13.476 16.859 7.618 886 HA THR 117 HA THR 117 -15.904 17.571 8.849 887 HB THR 117 HB THR 117 -13.382 18.379 10.189 888 HG1 THR 117 HG1 THR 117 -13.949 15.754 9.299 889 HG21 THR 117 1HG2 THR 117 -14.424 17.259 12.085 890 HG22 THR 117 2HG2 THR 117 -15.710 16.654 11.042 891 HG23 THR 117 3HG2 THR 117 -15.558 18.385 11.342 892 H ARG 118 H ARG 118 -16.632 19.528 9.709 893 HA ARG 118 HA ARG 118 -15.231 21.953 8.824 894 HB2 ARG 118 2HB ARG 118 -17.597 22.897 8.395 895 HB3 ARG 118 3HB ARG 118 -16.885 21.839 7.184 896 HG2 ARG 118 2HG ARG 118 -18.327 20.119 7.635 897 HG3 ARG 118 3HG ARG 118 -18.602 20.641 9.298 898 HD2 ARG 118 2HD ARG 118 -19.940 22.509 8.518 899 HD3 ARG 118 3HD ARG 118 -19.611 22.070 6.841 900 HE ARG 118 HE ARG 118 -21.276 20.519 6.982 901 HH11 ARG 118 1HH1 ARG 118 -20.231 21.323 10.204 902 HH12 ARG 118 2HH1 ARG 118 -21.461 20.379 10.979 903 HH21 ARG 118 1HH2 ARG 118 -22.900 19.273 7.989 904 HH22 ARG 118 2HH2 ARG 118 -22.978 19.214 9.718 905 HA PRO 119 HA PRO 119 -15.987 23.532 12.848 906 HB2 PRO 119 2HB PRO 119 -16.367 26.174 12.349 907 HB3 PRO 119 3HB PRO 119 -14.786 25.390 12.228 908 HG2 PRO 119 2HG PRO 119 -16.728 26.083 10.058 909 HG3 PRO 119 3HG PRO 119 -14.966 26.275 10.085 910 HD2 PRO 119 2HD PRO 119 -16.189 24.222 8.812 911 HD3 PRO 119 3HD PRO 119 -14.591 24.060 9.570 Start of MODEL 18 1 H1 GLY 2 H GLY 2 8.423 7.125 1.189 2 HA2 GLY 2 2HA GLY 2 10.162 5.787 0.515 3 HA3 GLY 2 3HA GLY 2 8.967 4.502 0.421 4 H ASN 3 H ASN 3 8.872 7.434 -1.508 5 HA ASN 3 HA ASN 3 8.925 7.779 -3.756 6 HB2 ASN 3 2HB ASN 3 11.301 7.152 -3.438 7 HB3 ASN 3 3HB ASN 3 10.880 5.469 -3.741 8 HD21 ASN 3 1HD2 ASN 3 12.641 5.984 -5.377 9 HD22 ASN 3 2HD2 ASN 3 12.101 6.503 -6.935 10 H GLY 4 H GLY 4 6.677 6.624 -3.212 11 HA2 GLY 4 2HA GLY 4 6.251 4.044 -4.335 12 HA3 GLY 4 3HA GLY 4 5.005 5.216 -3.928 13 H GLN 5 H GLN 5 5.462 3.414 -6.301 14 HA GLN 5 HA GLN 5 4.923 5.458 -8.317 15 HB2 GLN 5 2HB GLN 5 7.405 4.491 -8.252 16 HB3 GLN 5 3HB GLN 5 6.654 3.190 -9.165 17 HG2 GLN 5 2HG GLN 5 7.493 4.666 -10.771 18 HG3 GLN 5 3HG GLN 5 5.760 4.984 -10.713 19 HE21 GLN 5 1HE2 GLN 5 5.213 7.033 -10.672 20 HE22 GLN 5 2HE2 GLN 5 6.179 8.339 -10.082 21 H GLY 6 H GLY 6 3.718 4.701 -10.126 22 HA2 GLY 6 2HA GLY 6 2.962 2.155 -10.768 23 HA3 GLY 6 3HA GLY 6 1.893 2.590 -9.442 24 H ARG 7 H ARG 7 0.461 2.074 -11.462 25 HA ARG 7 HA ARG 7 0.206 4.071 -13.460 26 HB2 ARG 7 2HB ARG 7 -1.275 1.664 -12.621 27 HB3 ARG 7 3HB ARG 7 -2.253 2.904 -13.396 28 HG2 ARG 7 2HG ARG 7 -1.602 1.564 -15.164 29 HG3 ARG 7 3HG ARG 7 -0.434 2.887 -15.220 30 HD2 ARG 7 2HD ARG 7 1.271 1.570 -14.300 31 HD3 ARG 7 3HD ARG 7 0.135 0.354 -13.715 32 HE ARG 7 HE ARG 7 0.059 0.552 -16.547 33 HH11 ARG 7 1HH1 ARG 7 1.942 -0.716 -13.907 34 HH12 ARG 7 2HH1 ARG 7 2.634 -1.998 -14.845 35 HH21 ARG 7 1HH2 ARG 7 0.964 -1.132 -17.792 36 HH22 ARG 7 2HH2 ARG 7 2.077 -2.233 -17.054 37 H ASP 8 H ASP 8 -1.948 3.289 -10.723 38 HA ASP 8 HA ASP 8 -3.606 5.506 -10.931 39 HB2 ASP 8 2HB ASP 8 -2.926 3.571 -8.792 40 HB3 ASP 8 3HB ASP 8 -3.665 5.081 -8.266 41 H TRP 9 H TRP 9 -0.408 5.220 -9.592 42 HA TRP 9 HA TRP 9 -0.417 7.602 -8.056 43 HB2 TRP 9 2HB TRP 9 1.249 5.618 -8.004 44 HB3 TRP 9 3HB TRP 9 2.053 6.455 -9.330 45 HD1 TRP 9 HD1 TRP 9 4.094 7.668 -8.391 46 HE1 TRP 9 HE1 TRP 9 4.605 9.091 -6.308 47 HE3 TRP 9 HE3 TRP 9 -0.422 7.294 -6.023 48 HZ2 TRP 9 HZ2 TRP 9 3.272 9.942 -3.971 49 HZ3 TRP 9 HZ3 TRP 9 -0.722 8.443 -3.868 50 HH2 TRP 9 HH2 TRP 9 1.088 9.737 -2.864 51 H LYS 10 H LYS 10 1.124 6.922 -11.204 52 HA LYS 10 HA LYS 10 1.856 9.536 -11.805 53 HB2 LYS 10 2HB LYS 10 2.591 7.474 -13.022 54 HB3 LYS 10 3HB LYS 10 1.015 7.429 -13.802 55 HG2 LYS 10 2HG LYS 10 1.439 9.551 -14.870 56 HG3 LYS 10 3HG LYS 10 2.974 9.707 -14.015 57 HD2 LYS 10 2HD LYS 10 2.602 7.228 -15.576 58 HD3 LYS 10 3HD LYS 10 2.748 8.718 -16.510 59 HE2 LYS 10 2HE LYS 10 4.952 8.088 -16.326 60 HE3 LYS 10 3HE LYS 10 4.786 9.160 -14.935 61 HZ1 LYS 10 1HZ LYS 10 4.128 6.421 -14.360 62 HZ2 LYS 10 2HZ LYS 10 5.136 7.489 -13.522 63 HZ3 LYS 10 3HZ LYS 10 5.734 6.630 -14.851 64 H MET 11 H MET 11 -1.158 7.816 -12.506 65 HA MET 11 HA MET 11 -2.358 9.850 -14.044 66 HB2 MET 11 2HB MET 11 -3.482 7.561 -12.442 67 HB3 MET 11 3HB MET 11 -4.520 8.678 -13.318 68 HG2 MET 11 2HG MET 11 -3.013 8.083 -15.344 69 HG3 MET 11 3HG MET 11 -2.579 6.676 -14.376 70 HE1 MET 11 1HE MET 11 -5.506 4.430 -14.340 71 HE2 MET 11 2HE MET 11 -3.956 4.387 -15.180 72 HE3 MET 11 3HE MET 11 -4.045 4.990 -13.523 73 H ALA 12 H ALA 12 -2.152 9.294 -10.593 74 HA ALA 12 HA ALA 12 -4.157 11.106 -9.779 75 HB1 ALA 12 1HB ALA 12 -3.068 11.021 -7.581 76 HB2 ALA 12 2HB ALA 12 -3.277 9.414 -8.277 77 HB3 ALA 12 3HB ALA 12 -1.691 10.187 -8.304 78 H ILE 13 H ILE 13 -0.643 11.488 -10.164 79 HA ILE 13 HA ILE 13 -0.640 14.239 -9.414 80 HB ILE 13 HB ILE 13 1.435 12.669 -10.950 81 HG12 ILE 13 2HG1 ILE 13 0.940 11.774 -8.692 82 HG13 ILE 13 3HG1 ILE 13 2.570 12.428 -8.813 83 HG21 ILE 13 1HG2 ILE 13 1.673 15.071 -11.280 84 HG22 ILE 13 2HG2 ILE 13 1.647 15.324 -9.536 85 HG23 ILE 13 3HG2 ILE 13 2.981 14.443 -10.279 86 HD11 ILE 13 1HD1 ILE 13 1.503 13.025 -6.708 87 HD12 ILE 13 2HD1 ILE 13 1.850 14.454 -7.682 88 HD13 ILE 13 3HD1 ILE 13 0.204 13.828 -7.589 89 H LYS 14 H LYS 14 -0.690 12.511 -12.495 90 HA LYS 14 HA LYS 14 -0.397 14.785 -14.151 91 HB2 LYS 14 2HB LYS 14 -1.375 11.985 -14.564 92 HB3 LYS 14 3HB LYS 14 -1.609 13.178 -15.835 93 HG2 LYS 14 2HG LYS 14 0.816 13.598 -15.854 94 HG3 LYS 14 3HG LYS 14 1.022 12.340 -14.634 95 HD2 LYS 14 2HD LYS 14 1.367 11.034 -16.445 96 HD3 LYS 14 3HD LYS 14 -0.397 10.978 -16.471 97 HE2 LYS 14 2HE LYS 14 0.013 13.229 -17.879 98 HE3 LYS 14 3HE LYS 14 1.493 12.357 -18.276 99 HZ1 LYS 14 1HZ LYS 14 0.382 10.882 -19.517 100 HZ2 LYS 14 2HZ LYS 14 -0.844 12.046 -19.554 101 HZ3 LYS 14 3HZ LYS 14 -0.919 10.775 -18.441 102 H ARG 15 H ARG 15 -3.306 12.897 -13.311 103 HA ARG 15 HA ARG 15 -5.176 14.511 -14.581 104 HB2 ARG 15 2HB ARG 15 -5.403 12.789 -12.115 105 HB3 ARG 15 3HB ARG 15 -6.786 13.590 -12.848 106 HG2 ARG 15 2HG ARG 15 -6.494 12.349 -14.886 107 HG3 ARG 15 3HG ARG 15 -4.999 11.635 -14.277 108 HD2 ARG 15 2HD ARG 15 -6.280 10.560 -12.468 109 HD3 ARG 15 3HD ARG 15 -7.763 11.236 -13.139 110 HE ARG 15 HE ARG 15 -6.306 8.958 -14.104 111 HH11 ARG 15 1HH1 ARG 15 -8.518 11.508 -14.958 112 HH12 ARG 15 2HH1 ARG 15 -9.194 10.649 -16.302 113 HH21 ARG 15 1HH2 ARG 15 -7.190 7.817 -15.871 114 HH22 ARG 15 2HH2 ARG 15 -8.439 8.550 -16.820 115 H CYS 16 H CYS 16 -3.928 14.706 -11.265 116 HA CYS 16 HA CYS 16 -5.540 16.853 -10.428 117 HB2 CYS 16 2HB CYS 16 -4.119 15.292 -8.990 118 HB3 CYS 16 3HB CYS 16 -2.750 16.310 -9.420 119 HG CYS 16 HG CYS 16 -4.866 18.454 -8.440 120 H SER 17 H SER 17 -2.538 16.719 -12.212 121 HA SER 17 HA SER 17 -1.640 19.333 -11.912 122 HB2 SER 17 2HB SER 17 -0.540 17.333 -13.131 123 HB3 SER 17 3HB SER 17 -1.448 17.879 -14.541 124 HG SER 17 HG SER 17 0.450 19.371 -13.048 125 H ASN 18 H ASN 18 -4.318 18.085 -13.718 126 HA ASN 18 HA ASN 18 -4.637 20.336 -15.449 127 HB2 ASN 18 2HB ASN 18 -5.665 17.801 -15.400 128 HB3 ASN 18 3HB ASN 18 -7.042 18.751 -14.849 129 HD21 ASN 18 1HD2 ASN 18 -8.350 19.294 -16.420 130 HD22 ASN 18 2HD2 ASN 18 -7.900 19.663 -18.047 131 H VAL 19 H VAL 19 -5.601 19.564 -12.212 132 HA VAL 19 HA VAL 19 -7.754 21.383 -11.963 133 HB VAL 19 HB VAL 19 -5.923 20.460 -9.748 134 HG11 VAL 19 1HG1 VAL 19 -8.355 22.035 -9.863 135 HG12 VAL 19 2HG1 VAL 19 -8.526 20.621 -8.822 136 HG13 VAL 19 3HG1 VAL 19 -7.234 21.784 -8.525 137 HG21 VAL 19 1HG2 VAL 19 -6.635 18.483 -10.850 138 HG22 VAL 19 2HG2 VAL 19 -7.665 18.664 -9.429 139 HG23 VAL 19 3HG2 VAL 19 -8.281 19.091 -11.026 140 H ALA 20 H ALA 20 -7.803 23.519 -11.617 141 HA ALA 20 HA ALA 20 -5.344 25.014 -11.750 142 HB1 ALA 20 1HB ALA 20 -7.647 26.639 -11.170 143 HB2 ALA 20 2HB ALA 20 -6.640 26.594 -12.618 144 HB3 ALA 20 3HB ALA 20 -8.005 25.488 -12.458 145 H VAL 21 H VAL 21 -4.151 25.469 -10.030 146 HA VAL 21 HA VAL 21 -4.868 25.007 -7.379 147 HB VAL 21 HB VAL 21 -2.803 27.016 -8.278 148 HG11 VAL 21 1HG1 VAL 21 -1.917 25.560 -6.067 149 HG12 VAL 21 2HG1 VAL 21 -2.461 27.239 -6.092 150 HG13 VAL 21 3HG1 VAL 21 -3.604 25.946 -5.726 151 HG21 VAL 21 1HG2 VAL 21 -1.958 25.262 -9.422 152 HG22 VAL 21 2HG2 VAL 21 -1.382 24.770 -7.830 153 HG23 VAL 21 3HG2 VAL 21 -2.865 24.074 -8.485 154 H GLY 22 H GLY 22 -5.386 27.789 -9.406 155 HA2 GLY 22 2HA GLY 22 -6.608 29.705 -9.068 156 HA3 GLY 22 3HA GLY 22 -7.308 28.905 -7.668 157 H VAL 23 H VAL 23 -6.965 31.538 -7.455 158 HA VAL 23 HA VAL 23 -5.338 31.826 -5.185 159 HB VAL 23 HB VAL 23 -3.453 31.765 -6.701 160 HG11 VAL 23 1HG1 VAL 23 -4.719 34.092 -8.141 161 HG12 VAL 23 2HG1 VAL 23 -3.180 33.321 -8.526 162 HG13 VAL 23 3HG1 VAL 23 -4.689 32.432 -8.736 163 HG21 VAL 23 1HG2 VAL 23 -4.048 33.876 -4.947 164 HG22 VAL 23 2HG2 VAL 23 -2.456 33.319 -5.463 165 HG23 VAL 23 3HG2 VAL 23 -3.271 34.606 -6.352 166 H GLY 24 H GLY 24 -6.891 33.397 -7.929 167 HA2 GLY 24 2HA GLY 24 -8.833 34.817 -7.115 168 HA3 GLY 24 3HA GLY 24 -7.613 35.650 -6.164 169 H GLY 25 H GLY 25 -7.315 34.478 -9.490 170 HA2 GLY 25 2HA GLY 25 -7.921 36.368 -11.174 171 HA3 GLY 25 3HA GLY 25 -6.661 37.225 -10.297 172 H LYS 26 H LYS 26 -4.732 35.378 -9.935 173 HA LYS 26 HA LYS 26 -3.563 35.209 -12.528 174 HB2 LYS 26 2HB LYS 26 -2.618 35.203 -9.924 175 HB3 LYS 26 3HB LYS 26 -2.289 33.566 -10.479 176 HG2 LYS 26 2HG LYS 26 -0.358 34.659 -11.067 177 HG3 LYS 26 3HG LYS 26 -1.291 34.760 -12.563 178 HD2 LYS 26 2HD LYS 26 -1.941 36.985 -10.883 179 HD3 LYS 26 3HD LYS 26 -0.188 36.873 -11.052 180 HE2 LYS 26 2HE LYS 26 -2.119 36.814 -13.366 181 HE3 LYS 26 3HE LYS 26 -1.314 38.272 -12.790 182 HZ1 LYS 26 1HZ LYS 26 -0.330 36.724 -14.704 183 HZ2 LYS 26 2HZ LYS 26 0.407 36.001 -13.365 184 HZ3 LYS 26 3HZ LYS 26 0.645 37.647 -13.675 185 H SER 27 H SER 27 -2.298 32.924 -12.857 186 HA SER 27 HA SER 27 -4.344 30.809 -12.755 187 HB2 SER 27 2HB SER 27 -4.128 31.898 -15.035 188 HB3 SER 27 3HB SER 27 -2.490 31.248 -15.102 189 HG SER 27 HG SER 27 -3.637 29.156 -14.605 190 H LYS 28 H LYS 28 -3.628 28.750 -12.370 191 HA LYS 28 HA LYS 28 -0.864 28.024 -12.483 192 HB2 LYS 28 2HB LYS 28 -1.923 29.118 -10.016 193 HB3 LYS 28 3HB LYS 28 -1.370 27.463 -9.789 194 HG2 LYS 28 2HG LYS 28 0.369 29.455 -11.181 195 HG3 LYS 28 3HG LYS 28 0.278 29.418 -9.418 196 HD2 LYS 28 2HD LYS 28 0.611 26.770 -10.063 197 HD3 LYS 28 3HD LYS 28 1.604 27.589 -11.271 198 HE2 LYS 28 2HE LYS 28 3.184 27.644 -9.691 199 HE3 LYS 28 3HE LYS 28 2.228 28.934 -8.962 200 HZ1 LYS 28 1HZ LYS 28 2.326 26.075 -8.232 201 HZ2 LYS 28 2HZ LYS 28 1.004 27.037 -7.795 202 HZ3 LYS 28 3HZ LYS 28 2.554 27.430 -7.244 203 H LYS 29 H LYS 29 -0.505 25.781 -11.815 204 HA LYS 29 HA LYS 29 -2.963 24.188 -11.612 205 HB2 LYS 29 2HB LYS 29 -0.954 24.155 -13.776 206 HB3 LYS 29 3HB LYS 29 -1.433 22.576 -13.168 207 HG2 LYS 29 2HG LYS 29 -3.730 23.000 -13.691 208 HG3 LYS 29 3HG LYS 29 -3.368 24.675 -14.119 209 HD2 LYS 29 2HD LYS 29 -1.851 22.582 -15.558 210 HD3 LYS 29 3HD LYS 29 -3.574 22.702 -15.927 211 HE2 LYS 29 2HE LYS 29 -2.091 25.249 -15.831 212 HE3 LYS 29 3HE LYS 29 -1.663 24.162 -17.150 213 HZ1 LYS 29 1HZ LYS 29 -4.053 24.051 -17.707 214 HZ2 LYS 29 2HZ LYS 29 -3.403 25.605 -17.873 215 HZ3 LYS 29 3HZ LYS 29 -4.363 25.227 -16.531 216 H PHE 30 H PHE 30 -2.796 22.309 -10.431 217 HA PHE 30 HA PHE 30 -0.906 22.178 -8.397 218 HB2 PHE 30 2HB PHE 30 -3.245 20.881 -8.943 219 HB3 PHE 30 3HB PHE 30 -2.073 19.589 -9.178 220 HD1 PHE 30 HD1 PHE 30 -3.145 22.180 -6.746 221 HD2 PHE 30 HD2 PHE 30 -1.213 18.437 -7.353 222 HE1 PHE 30 HE1 PHE 30 -3.040 21.843 -4.311 223 HE2 PHE 30 HE2 PHE 30 -1.106 18.093 -4.920 224 HZ PHE 30 HZ PHE 30 -2.021 19.796 -3.395 225 H GLY 31 H GLY 31 0.808 20.695 -7.981 226 HA2 GLY 31 2HA GLY 31 1.965 19.439 -10.385 227 HA3 GLY 31 3HA GLY 31 2.946 20.480 -9.365 228 H GLU 32 H GLU 32 4.252 18.426 -9.366 229 HA GLU 32 HA GLU 32 3.228 16.351 -7.597 230 HB2 GLU 32 2HB GLU 32 5.309 15.157 -8.144 231 HB3 GLU 32 3HB GLU 32 4.428 15.636 -9.588 232 HG2 GLU 32 2HG GLU 32 5.940 17.574 -9.823 233 HG3 GLU 32 3HG GLU 32 6.858 16.986 -8.439 234 H GLY 33 H GLY 33 5.780 18.797 -7.692 235 HA2 GLY 33 2HA GLY 33 7.097 18.114 -5.319 236 HA3 GLY 33 3HA GLY 33 7.059 19.722 -6.027 237 H ASN 34 H ASN 34 4.413 20.390 -5.831 238 HA ASN 34 HA ASN 34 4.208 21.231 -3.157 239 HB2 ASN 34 2HB ASN 34 2.438 21.323 -5.553 240 HB3 ASN 34 3HB ASN 34 1.704 21.628 -3.981 241 HD21 ASN 34 1HD2 ASN 34 4.380 22.613 -6.063 242 HD22 ASN 34 2HD2 ASN 34 4.423 24.257 -5.530 243 H PHE 35 H PHE 35 2.683 18.575 -4.914 244 HA PHE 35 HA PHE 35 0.845 17.775 -2.973 245 HB2 PHE 35 2HB PHE 35 0.666 16.831 -5.152 246 HB3 PHE 35 3HB PHE 35 2.316 16.219 -5.097 247 HD1 PHE 35 HD1 PHE 35 -0.819 15.927 -3.091 248 HD2 PHE 35 HD2 PHE 35 2.551 13.965 -4.796 249 HE1 PHE 35 HE1 PHE 35 -1.652 13.770 -2.248 250 HE2 PHE 35 HE2 PHE 35 1.724 11.805 -3.955 251 HZ PHE 35 HZ PHE 35 -0.381 11.706 -2.680 252 H ARG 36 H ARG 36 4.244 16.898 -3.408 253 HA ARG 36 HA ARG 36 4.362 14.954 -1.374 254 HB2 ARG 36 2HB ARG 36 6.661 16.716 -2.205 255 HB3 ARG 36 3HB ARG 36 6.725 15.070 -1.590 256 HG2 ARG 36 2HG ARG 36 5.142 14.942 -3.888 257 HG3 ARG 36 3HG ARG 36 6.492 16.004 -4.295 258 HD2 ARG 36 2HD ARG 36 7.071 13.718 -4.814 259 HD3 ARG 36 3HD ARG 36 8.055 14.288 -3.468 260 HE ARG 36 HE ARG 36 5.746 12.981 -2.500 261 HH11 ARG 36 1HH1 ARG 36 8.809 12.336 -4.024 262 HH12 ARG 36 2HH1 ARG 36 8.956 10.746 -3.355 263 HH21 ARG 36 1HH2 ARG 36 5.928 10.888 -1.612 264 HH22 ARG 36 2HH2 ARG 36 7.315 9.922 -1.983 265 H TRP 37 H TRP 37 5.349 18.379 -1.341 266 HA TRP 37 HA TRP 37 6.131 18.561 1.305 267 HB2 TRP 37 2HB TRP 37 6.579 20.409 -0.113 268 HB3 TRP 37 3HB TRP 37 4.880 20.590 -0.541 269 HD1 TRP 37 HD1 TRP 37 7.436 21.659 2.018 270 HE1 TRP 37 HE1 TRP 37 6.351 23.307 3.672 271 HE3 TRP 37 HE3 TRP 37 2.546 21.109 0.628 272 HZ2 TRP 37 HZ2 TRP 37 3.766 24.249 4.304 273 HZ3 TRP 37 HZ3 TRP 37 0.830 22.419 1.808 274 HH2 TRP 37 HH2 TRP 37 1.429 23.955 3.608 275 H ALA 38 H ALA 38 2.914 18.522 -0.062 276 HA ALA 38 HA ALA 38 1.628 19.302 2.402 277 HB1 ALA 38 1HB ALA 38 0.065 19.876 0.931 278 HB2 ALA 38 2HB ALA 38 0.850 18.952 -0.351 279 HB3 ALA 38 3HB ALA 38 -0.292 18.160 0.734 280 H ILE 39 H ILE 39 1.354 16.357 0.401 281 HA ILE 39 HA ILE 39 0.087 14.744 2.231 282 HB ILE 39 HB ILE 39 0.547 14.142 -0.144 283 HG12 ILE 39 2HG1 ILE 39 1.544 11.943 1.651 284 HG13 ILE 39 3HG1 ILE 39 -0.117 12.517 1.758 285 HG21 ILE 39 1HG2 ILE 39 3.225 13.158 0.783 286 HG22 ILE 39 2HG2 ILE 39 2.620 13.328 -0.863 287 HG23 ILE 39 3HG2 ILE 39 3.017 14.762 0.082 288 HD11 ILE 39 1HD1 ILE 39 -0.465 11.941 -0.585 289 HD12 ILE 39 2HD1 ILE 39 1.200 11.370 -0.693 290 HD13 ILE 39 3HD1 ILE 39 0.049 10.543 0.358 291 H ARG 40 H ARG 40 3.484 15.583 2.045 292 HA ARG 40 HA ARG 40 4.337 13.636 3.967 293 HB2 ARG 40 2HB ARG 40 5.862 14.539 2.256 294 HB3 ARG 40 3HB ARG 40 5.729 16.133 2.984 295 HG2 ARG 40 2HG ARG 40 7.201 15.653 4.597 296 HG3 ARG 40 3HG ARG 40 6.549 14.033 4.846 297 HD2 ARG 40 2HD ARG 40 8.914 14.132 3.990 298 HD3 ARG 40 3HD ARG 40 7.799 13.156 3.034 299 HE ARG 40 HE ARG 40 7.915 15.801 2.033 300 HH11 ARG 40 1HH1 ARG 40 9.730 12.834 2.168 301 HH12 ARG 40 2HH1 ARG 40 10.580 13.134 0.689 302 HH21 ARG 40 1HH2 ARG 40 9.028 16.208 0.084 303 HH22 ARG 40 2HH2 ARG 40 10.180 15.052 -0.496 304 H MET 41 H MET 41 4.062 17.193 4.075 305 HA MET 41 HA MET 41 4.624 17.538 6.767 306 HB2 MET 41 2HB MET 41 2.995 19.104 4.798 307 HB3 MET 41 3HB MET 41 3.050 19.599 6.485 308 HG2 MET 41 2HG MET 41 5.537 19.155 4.871 309 HG3 MET 41 3HG MET 41 4.687 20.699 4.892 310 HE1 MET 41 1HE MET 41 7.588 20.788 5.571 311 HE2 MET 41 2HE MET 41 6.597 22.203 5.925 312 HE3 MET 41 3HE MET 41 7.709 21.578 7.144 313 H ALA 42 H ALA 42 1.578 16.727 5.193 314 HA ALA 42 HA ALA 42 -0.008 16.942 7.559 315 HB1 ALA 42 1HB ALA 42 -1.655 15.582 6.138 316 HB2 ALA 42 2HB ALA 42 -1.209 17.194 5.576 317 HB3 ALA 42 3HB ALA 42 -0.475 15.769 4.840 318 H ASN 43 H ASN 43 1.668 14.314 5.912 319 HA ASN 43 HA ASN 43 0.584 12.183 7.394 320 HB2 ASN 43 2HB ASN 43 3.028 12.570 5.721 321 HB3 ASN 43 3HB ASN 43 2.931 11.139 6.743 322 HD21 ASN 43 1HD2 ASN 43 3.104 10.647 4.176 323 HD22 ASN 43 2HD2 ASN 43 1.588 10.165 3.501 324 H VAL 44 H VAL 44 3.719 13.843 7.774 325 HA VAL 44 HA VAL 44 4.473 12.547 10.142 326 HB VAL 44 HB VAL 44 5.249 15.320 9.227 327 HG11 VAL 44 1HG1 VAL 44 7.337 14.055 10.627 328 HG12 VAL 44 2HG1 VAL 44 6.392 15.460 11.127 329 HG13 VAL 44 3HG1 VAL 44 5.879 13.838 11.595 330 HG21 VAL 44 1HG2 VAL 44 6.086 14.146 7.492 331 HG22 VAL 44 2HG2 VAL 44 7.366 13.754 8.640 332 HG23 VAL 44 3HG2 VAL 44 6.048 12.616 8.369 333 H SER 45 H SER 45 2.644 15.517 9.591 334 HA SER 45 HA SER 45 2.541 16.404 12.253 335 HB2 SER 45 2HB SER 45 0.737 16.850 9.879 336 HB3 SER 45 3HB SER 45 0.398 17.577 11.448 337 HG SER 45 HG SER 45 2.209 18.304 9.569 338 H THR 46 H THR 46 0.871 13.869 10.612 339 HA THR 46 HA THR 46 -1.082 13.610 12.784 340 HB THR 46 HB THR 46 -1.968 11.723 11.255 341 HG1 THR 46 HG1 THR 46 -0.971 11.477 9.410 342 HG21 THR 46 1HG2 THR 46 -3.505 13.193 10.487 343 HG22 THR 46 2HG2 THR 46 -2.286 14.269 9.802 344 HG23 THR 46 3HG2 THR 46 -2.645 14.326 11.528 345 H GLY 47 H GLY 47 1.775 12.978 13.110 346 HA2 GLY 47 2HA GLY 47 3.065 11.363 14.107 347 HA3 GLY 47 3HA GLY 47 1.551 10.622 14.604 348 H ARG 48 H ARG 48 2.025 11.042 11.230 349 HA ARG 48 HA ARG 48 2.415 8.144 10.958 350 HB2 ARG 48 2HB ARG 48 0.725 10.042 9.636 351 HB3 ARG 48 3HB ARG 48 1.810 9.325 8.452 352 HG2 ARG 48 2HG ARG 48 0.440 7.592 8.346 353 HG3 ARG 48 3HG ARG 48 0.899 7.191 10.002 354 HD2 ARG 48 2HD ARG 48 -0.923 8.468 10.885 355 HD3 ARG 48 3HD ARG 48 -1.306 9.116 9.292 356 HE ARG 48 HE ARG 48 -1.460 6.307 9.225 357 HH11 ARG 48 1HH1 ARG 48 -3.133 9.075 10.513 358 HH12 ARG 48 2HH1 ARG 48 -4.683 8.301 10.515 359 HH21 ARG 48 1HH2 ARG 48 -3.496 5.277 9.223 360 HH22 ARG 48 2HH2 ARG 48 -4.889 6.140 9.781 361 H GLU 49 H GLU 49 4.193 7.321 10.029 362 HA GLU 49 HA GLU 49 6.530 8.758 9.733 363 HB2 GLU 49 2HB GLU 49 5.592 6.090 8.831 364 HB3 GLU 49 3HB GLU 49 7.042 6.722 8.064 365 HG2 GLU 49 2HG GLU 49 8.216 6.798 10.090 366 HG3 GLU 49 3HG GLU 49 6.746 6.613 11.044 367 HA PRO 50 HA PRO 50 6.446 10.821 5.863 368 HB2 PRO 50 2HB PRO 50 8.972 10.445 4.943 369 HB3 PRO 50 3HB PRO 50 8.593 11.518 6.295 370 HG2 PRO 50 2HG PRO 50 9.635 8.712 6.338 371 HG3 PRO 50 3HG PRO 50 10.129 10.105 7.318 372 HD2 PRO 50 2HD PRO 50 8.472 8.180 8.256 373 HD3 PRO 50 3HD PRO 50 8.353 9.875 8.769 374 H GLY 51 H GLY 51 7.309 7.455 5.937 375 HA2 GLY 51 2HA GLY 51 7.175 7.167 3.047 376 HA3 GLY 51 3HA GLY 51 7.485 5.887 4.211 377 H ASP 52 H ASP 52 4.796 8.192 3.844 378 HA ASP 52 HA ASP 52 2.968 5.881 3.806 379 HB2 ASP 52 2HB ASP 52 2.952 8.357 5.319 380 HB3 ASP 52 3HB ASP 52 1.459 8.154 4.408 381 H ILE 53 H ILE 53 2.672 5.511 1.666 382 HA ILE 53 HA ILE 53 1.775 7.783 0.016 383 HB ILE 53 HB ILE 53 2.982 5.180 -0.930 384 HG12 ILE 53 2HG1 ILE 53 4.634 6.592 0.212 385 HG13 ILE 53 3HG1 ILE 53 4.948 6.530 -1.518 386 HG21 ILE 53 1HG2 ILE 53 2.266 5.713 -2.960 387 HG22 ILE 53 2HG2 ILE 53 1.393 7.080 -2.270 388 HG23 ILE 53 3HG2 ILE 53 3.044 7.292 -2.851 389 HD11 ILE 53 1HD1 ILE 53 3.261 8.740 -1.064 390 HD12 ILE 53 2HD1 ILE 53 4.544 8.796 0.146 391 HD13 ILE 53 3HD1 ILE 53 4.950 8.735 -1.569 392 HA PRO 54 HA PRO 54 -1.891 4.995 0.615 393 HB2 PRO 54 2HB PRO 54 -3.647 7.019 1.051 394 HB3 PRO 54 3HB PRO 54 -2.683 6.290 2.341 395 HG2 PRO 54 2HG PRO 54 -2.212 8.829 0.826 396 HG3 PRO 54 3HG PRO 54 -2.043 8.515 2.562 397 HD2 PRO 54 2HD PRO 54 0.079 8.581 0.881 398 HD3 PRO 54 3HD PRO 54 0.025 7.531 2.311 399 H GLU 55 H GLU 55 -3.989 5.077 -0.589 400 HA GLU 55 HA GLU 55 -4.247 6.809 -2.845 401 HB2 GLU 55 2HB GLU 55 -2.424 5.000 -3.402 402 HB3 GLU 55 3HB GLU 55 -3.818 3.953 -3.632 403 HG2 GLU 55 2HG GLU 55 -4.000 6.547 -4.982 404 HG3 GLU 55 3HG GLU 55 -2.705 5.498 -5.557 405 H THR 56 H THR 56 -5.956 6.238 -0.774 406 HA THR 56 HA THR 56 -8.198 5.057 -2.222 407 HB THR 56 HB THR 56 -8.884 3.603 -0.459 408 HG1 THR 56 HG1 THR 56 -7.443 3.445 1.448 409 HG21 THR 56 1HG2 THR 56 -7.243 2.603 -1.916 410 HG22 THR 56 2HG2 THR 56 -6.947 2.053 -0.266 411 HG23 THR 56 3HG2 THR 56 -5.925 3.302 -0.976 412 H LEU 57 H LEU 57 -10.195 5.881 -1.647 413 HA LEU 57 HA LEU 57 -10.355 8.471 -0.710 414 HB2 LEU 57 2HB LEU 57 -12.400 6.273 -0.819 415 HB3 LEU 57 3HB LEU 57 -12.805 7.903 -0.282 416 HG LEU 57 HG LEU 57 -11.771 7.139 -3.012 417 HD11 LEU 57 1HD1 LEU 57 -14.038 6.421 -2.753 418 HD12 LEU 57 2HD1 LEU 57 -14.032 7.887 -3.731 419 HD13 LEU 57 3HD1 LEU 57 -14.498 7.965 -2.033 420 HD21 LEU 57 1HD2 LEU 57 -12.407 9.780 -1.736 421 HD22 LEU 57 2HD2 LEU 57 -12.482 9.554 -3.483 422 HD23 LEU 57 3HD2 LEU 57 -10.962 9.298 -2.625 423 H ASP 58 H ASP 58 -10.537 5.455 1.080 424 HA ASP 58 HA ASP 58 -11.420 6.563 3.534 425 HB2 ASP 58 2HB ASP 58 -11.089 4.029 2.605 426 HB3 ASP 58 3HB ASP 58 -9.693 4.172 3.670 427 H GLN 59 H GLN 59 -8.234 6.005 2.139 428 HA GLN 59 HA GLN 59 -6.736 6.602 4.460 429 HB2 GLN 59 2HB GLN 59 -6.179 6.304 1.568 430 HB3 GLN 59 3HB GLN 59 -5.020 7.258 2.484 431 HG2 GLN 59 2HG GLN 59 -4.333 5.472 3.744 432 HG3 GLN 59 3HG GLN 59 -5.852 4.602 3.535 433 HE21 GLN 59 1HE2 GLN 59 -3.103 3.699 3.148 434 HE22 GLN 59 2HE2 GLN 59 -3.009 3.147 1.514 435 H LEU 60 H LEU 60 -7.541 8.593 1.617 436 HA LEU 60 HA LEU 60 -6.357 10.960 2.591 437 HB2 LEU 60 2HB LEU 60 -8.325 10.293 0.458 438 HB3 LEU 60 3HB LEU 60 -8.136 11.981 0.932 439 HG LEU 60 HG LEU 60 -6.810 11.294 -1.070 440 HD11 LEU 60 1HD1 LEU 60 -4.640 12.015 0.675 441 HD12 LEU 60 2HD1 LEU 60 -6.099 12.914 1.091 442 HD13 LEU 60 3HD1 LEU 60 -5.463 12.979 -0.552 443 HD21 LEU 60 1HD2 LEU 60 -4.995 9.867 0.845 444 HD22 LEU 60 2HD2 LEU 60 -4.988 9.842 -0.918 445 HD23 LEU 60 3HD2 LEU 60 -6.269 9.015 -0.030 446 H ARG 61 H ARG 61 -9.404 9.439 3.215 447 HA ARG 61 HA ARG 61 -10.740 11.758 4.217 448 HB2 ARG 61 2HB ARG 61 -12.059 9.910 3.411 449 HB3 ARG 61 3HB ARG 61 -11.292 8.807 4.544 450 HG2 ARG 61 2HG ARG 61 -12.308 10.029 6.409 451 HG3 ARG 61 3HG ARG 61 -13.097 11.109 5.258 452 HD2 ARG 61 2HD ARG 61 -14.537 9.464 4.501 453 HD3 ARG 61 3HD ARG 61 -13.479 8.155 5.028 454 HE ARG 61 HE ARG 61 -15.508 9.462 6.572 455 HH11 ARG 61 1HH1 ARG 61 -12.483 7.747 6.735 456 HH12 ARG 61 2HH1 ARG 61 -12.736 7.191 8.357 457 HH21 ARG 61 1HH2 ARG 61 -15.852 8.737 8.706 458 HH22 ARG 61 2HH2 ARG 61 -14.653 7.755 9.477 459 H LEU 62 H LEU 62 -8.830 9.163 5.639 460 HA LEU 62 HA LEU 62 -9.347 9.886 8.346 461 HB2 LEU 62 2HB LEU 62 -8.018 7.812 6.978 462 HB3 LEU 62 3HB LEU 62 -6.826 8.560 8.040 463 HG LEU 62 HG LEU 62 -7.912 6.631 9.086 464 HD11 LEU 62 1HD1 LEU 62 -8.733 7.841 11.151 465 HD12 LEU 62 2HD1 LEU 62 -8.447 9.342 10.270 466 HD13 LEU 62 3HD1 LEU 62 -7.106 8.246 10.603 467 HD21 LEU 62 1HD2 LEU 62 -10.178 7.447 7.838 468 HD22 LEU 62 2HD2 LEU 62 -10.474 8.012 9.484 469 HD23 LEU 62 3HD2 LEU 62 -10.133 6.307 9.184 470 H VAL 63 H VAL 63 -6.889 10.736 5.985 471 HA VAL 63 HA VAL 63 -5.131 12.047 7.788 472 HB VAL 63 HB VAL 63 -5.441 12.581 4.832 473 HG11 VAL 63 1HG1 VAL 63 -4.006 14.223 5.451 474 HG12 VAL 63 2HG1 VAL 63 -3.482 13.369 6.904 475 HG13 VAL 63 3HG1 VAL 63 -2.835 12.909 5.328 476 HG21 VAL 63 1HG2 VAL 63 -4.738 10.502 4.476 477 HG22 VAL 63 2HG2 VAL 63 -3.230 10.919 5.292 478 HG23 VAL 63 3HG2 VAL 63 -4.563 10.215 6.208 479 H ILE 64 H ILE 64 -7.683 13.231 5.617 480 HA ILE 64 HA ILE 64 -7.366 15.966 6.270 481 HB ILE 64 HB ILE 64 -8.533 15.201 4.236 482 HG12 ILE 64 2HG1 ILE 64 -10.410 16.802 5.978 483 HG13 ILE 64 3HG1 ILE 64 -8.922 17.466 5.310 484 HG21 ILE 64 1HG2 ILE 64 -10.725 14.379 6.137 485 HG22 ILE 64 2HG2 ILE 64 -10.832 14.381 4.377 486 HG23 ILE 64 3HG2 ILE 64 -9.710 13.291 5.192 487 HD11 ILE 64 1HD1 ILE 64 -10.823 16.178 3.438 488 HD12 ILE 64 2HD1 ILE 64 -11.248 17.754 4.106 489 HD13 ILE 64 3HD1 ILE 64 -9.749 17.556 3.198 490 H CYS 65 H CYS 65 -9.216 13.355 7.694 491 HA CYS 65 HA CYS 65 -10.929 14.907 9.304 492 HB2 CYS 65 2HB CYS 65 -10.006 12.072 9.304 493 HB3 CYS 65 3HB CYS 65 -10.792 12.684 10.755 494 HG CYS 65 HG CYS 65 -13.111 12.043 9.870 495 H ASP 66 H ASP 66 -7.928 13.189 10.181 496 HA ASP 66 HA ASP 66 -7.767 14.310 12.773 497 HB2 ASP 66 2HB ASP 66 -6.115 12.592 11.070 498 HB3 ASP 66 3HB ASP 66 -5.175 13.634 12.135 499 H LEU 67 H LEU 67 -6.363 15.221 9.665 500 HA LEU 67 HA LEU 67 -4.660 17.250 10.623 501 HB2 LEU 67 2HB LEU 67 -4.536 16.219 8.373 502 HB3 LEU 67 3HB LEU 67 -6.011 17.077 7.934 503 HG LEU 67 HG LEU 67 -4.778 19.223 8.337 504 HD11 LEU 67 1HD1 LEU 67 -2.880 19.045 9.495 505 HD12 LEU 67 2HD1 LEU 67 -2.151 18.510 7.981 506 HD13 LEU 67 3HD1 LEU 67 -2.726 17.322 9.152 507 HD21 LEU 67 1HD2 LEU 67 -3.847 17.295 6.221 508 HD22 LEU 67 2HD2 LEU 67 -3.388 18.999 6.241 509 HD23 LEU 67 3HD2 LEU 67 -5.086 18.544 6.091 510 H GLN 68 H GLN 68 -7.996 17.337 9.427 511 HA GLN 68 HA GLN 68 -8.367 20.107 9.518 512 HB2 GLN 68 2HB GLN 68 -9.925 18.543 8.418 513 HB3 GLN 68 3HB GLN 68 -10.417 17.936 9.994 514 HG2 GLN 68 2HG GLN 68 -10.674 20.840 9.331 515 HG3 GLN 68 3HG GLN 68 -11.887 19.679 8.795 516 HE21 GLN 68 1HE2 GLN 68 -12.118 21.897 10.677 517 HE22 GLN 68 2HE2 GLN 68 -12.670 21.209 12.162 518 H GLU 69 H GLU 69 -9.027 17.634 11.985 519 HA GLU 69 HA GLU 69 -10.104 19.290 13.942 520 HB2 GLU 69 2HB GLU 69 -9.582 16.637 13.775 521 HB3 GLU 69 3HB GLU 69 -8.326 17.132 14.900 522 HG2 GLU 69 2HG GLU 69 -11.233 17.795 15.275 523 HG3 GLU 69 3HG GLU 69 -10.467 16.352 15.938 524 H ARG 70 H ARG 70 -6.713 18.407 13.367 525 HA ARG 70 HA ARG 70 -5.684 19.921 15.538 526 HB2 ARG 70 2HB ARG 70 -4.249 19.039 13.028 527 HB3 ARG 70 3HB ARG 70 -3.504 19.520 14.546 528 HG2 ARG 70 2HG ARG 70 -5.340 17.429 15.095 529 HG3 ARG 70 3HG ARG 70 -4.340 16.945 13.723 530 HD2 ARG 70 2HD ARG 70 -3.213 16.225 15.682 531 HD3 ARG 70 3HD ARG 70 -2.337 17.630 15.076 532 HE ARG 70 HE ARG 70 -2.854 18.725 17.011 533 HH11 ARG 70 1HH1 ARG 70 -5.016 16.022 16.641 534 HH12 ARG 70 2HH1 ARG 70 -5.741 16.222 18.201 535 HH21 ARG 70 1HH2 ARG 70 -3.800 18.999 19.068 536 HH22 ARG 70 2HH2 ARG 70 -5.049 17.915 19.581 537 H ARG 71 H ARG 71 -6.316 20.619 12.155 538 HA ARG 71 HA ARG 71 -4.885 22.994 11.882 539 HB2 ARG 71 2HB ARG 71 -5.893 21.877 9.975 540 HB3 ARG 71 3HB ARG 71 -7.504 22.177 10.615 541 HG2 ARG 71 2HG ARG 71 -5.755 24.523 10.144 542 HG3 ARG 71 3HG ARG 71 -6.422 23.693 8.737 543 HD2 ARG 71 2HD ARG 71 -8.397 24.124 10.826 544 HD3 ARG 71 3HD ARG 71 -7.683 25.630 10.249 545 HE ARG 71 HE ARG 71 -9.501 23.942 8.839 546 HH11 ARG 71 1HH1 ARG 71 -6.845 26.158 8.443 547 HH12 ARG 71 2HH1 ARG 71 -7.295 26.614 6.833 548 HH21 ARG 71 1HH2 ARG 71 -10.104 24.535 6.721 549 HH22 ARG 71 2HH2 ARG 71 -9.149 25.692 5.855 550 H GLU 72 H GLU 72 -8.151 22.427 13.124 551 HA GLU 72 HA GLU 72 -8.747 25.192 13.502 552 HB2 GLU 72 2HB GLU 72 -10.199 22.836 13.545 553 HB3 GLU 72 3HB GLU 72 -10.209 23.347 15.228 554 HG2 GLU 72 2HG GLU 72 -10.967 25.173 12.969 555 HG3 GLU 72 3HG GLU 72 -12.128 24.141 13.802 556 H LYS 73 H LYS 73 -8.014 22.568 15.802 557 HA LYS 73 HA LYS 73 -7.908 24.118 18.108 558 HB2 LYS 73 2HB LYS 73 -7.538 21.461 17.509 559 HB3 LYS 73 3HB LYS 73 -5.932 21.953 18.028 560 HG2 LYS 73 2HG LYS 73 -6.595 22.362 20.174 561 HG3 LYS 73 3HG LYS 73 -8.255 22.738 19.707 562 HD2 LYS 73 2HD LYS 73 -7.923 20.081 18.975 563 HD3 LYS 73 3HD LYS 73 -7.083 20.214 20.524 564 HE2 LYS 73 2HE LYS 73 -9.316 19.651 21.042 565 HE3 LYS 73 3HE LYS 73 -9.156 21.371 21.396 566 HZ1 LYS 73 1HZ LYS 73 -10.065 20.639 18.721 567 HZ2 LYS 73 2HZ LYS 73 -10.518 21.944 19.697 568 HZ3 LYS 73 3HZ LYS 73 -11.157 20.406 19.993 569 H PHE 74 H PHE 74 -5.626 23.798 15.525 570 HA PHE 74 HA PHE 74 -3.499 25.076 17.055 571 HB2 PHE 74 2HB PHE 74 -3.015 23.175 15.495 572 HB3 PHE 74 3HB PHE 74 -3.479 24.219 14.156 573 HD1 PHE 74 HD1 PHE 74 -2.130 26.245 13.654 574 HD2 PHE 74 HD2 PHE 74 -0.884 23.330 16.494 575 HE1 PHE 74 HE1 PHE 74 0.168 27.116 13.536 576 HE2 PHE 74 HE2 PHE 74 1.415 24.198 16.383 577 HZ PHE 74 HZ PHE 74 1.944 26.095 14.902 578 H GLY 75 H GLY 75 -5.924 25.829 14.698 579 HA2 GLY 75 2HA GLY 75 -6.658 28.096 14.422 580 HA3 GLY 75 3HA GLY 75 -5.013 28.627 14.736 581 H SER 76 H SER 76 -6.066 29.786 12.650 582 HA SER 76 HA SER 76 -5.857 28.341 10.204 583 HB2 SER 76 2HB SER 76 -5.675 30.899 9.384 584 HB3 SER 76 3HB SER 76 -7.202 30.150 9.847 585 HG SER 76 HG SER 76 -7.008 32.080 10.948 586 H SER 77 H SER 77 -4.240 28.348 8.665 587 HA SER 77 HA SER 77 -1.851 29.877 8.908 588 HB2 SER 77 2HB SER 77 -0.407 28.465 9.935 589 HB3 SER 77 3HB SER 77 -1.863 27.735 10.608 590 HG SER 77 HG SER 77 -0.108 26.498 9.225 591 H LYS 78 H LYS 78 -1.006 30.087 6.940 592 HA LYS 78 HA LYS 78 -2.130 29.010 4.657 593 HB2 LYS 78 2HB LYS 78 0.261 30.558 5.309 594 HB3 LYS 78 3HB LYS 78 0.479 29.530 3.900 595 HG2 LYS 78 2HG LYS 78 -0.479 31.140 2.716 596 HG3 LYS 78 3HG LYS 78 -1.999 30.698 3.499 597 HD2 LYS 78 2HD LYS 78 -1.254 32.275 5.384 598 HD3 LYS 78 3HD LYS 78 -0.076 32.889 4.222 599 HE2 LYS 78 2HE LYS 78 -2.686 32.706 3.021 600 HE3 LYS 78 3HE LYS 78 -2.756 33.652 4.506 601 HZ1 LYS 78 1HZ LYS 78 -0.493 34.345 2.920 602 HZ2 LYS 78 2HZ LYS 78 -1.722 35.336 3.525 603 HZ3 LYS 78 3HZ LYS 78 -1.931 34.536 2.050 604 H GLU 79 H GLU 79 0.334 27.694 6.735 605 HA GLU 79 HA GLU 79 1.337 25.741 4.938 606 HB2 GLU 79 2HB GLU 79 2.369 26.598 7.140 607 HB3 GLU 79 3HB GLU 79 1.312 25.436 7.929 608 HG2 GLU 79 2HG GLU 79 2.387 23.768 6.219 609 HG3 GLU 79 3HG GLU 79 3.674 24.972 6.187 610 H ILE 80 H ILE 80 -0.790 25.343 7.777 611 HA ILE 80 HA ILE 80 -1.514 22.692 7.214 612 HB ILE 80 HB ILE 80 -3.085 24.768 8.747 613 HG12 ILE 80 2HG1 ILE 80 -1.166 22.657 9.756 614 HG13 ILE 80 3HG1 ILE 80 -0.765 24.361 9.572 615 HG21 ILE 80 1HG2 ILE 80 -4.580 23.021 8.274 616 HG22 ILE 80 2HG2 ILE 80 -3.346 21.785 8.521 617 HG23 ILE 80 3HG2 ILE 80 -3.984 22.682 9.899 618 HD11 ILE 80 1HD1 ILE 80 -2.134 23.008 11.717 619 HD12 ILE 80 2HD1 ILE 80 -1.434 24.627 11.665 620 HD13 ILE 80 3HD1 ILE 80 -3.080 24.359 11.094 621 H ASP 81 H ASP 81 -3.109 25.757 6.413 622 HA ASP 81 HA ASP 81 -5.445 24.765 5.288 623 HB2 ASP 81 2HB ASP 81 -4.733 27.206 5.733 624 HB3 ASP 81 3HB ASP 81 -4.001 27.139 4.132 625 H MET 82 H MET 82 -2.292 25.328 3.761 626 HA MET 82 HA MET 82 -3.031 24.645 1.145 627 HB2 MET 82 2HB MET 82 -0.476 24.843 2.647 628 HB3 MET 82 3HB MET 82 -0.447 23.934 1.143 629 HG2 MET 82 2HG MET 82 -1.637 26.672 1.235 630 HG3 MET 82 3HG MET 82 0.108 26.454 1.121 631 HE1 MET 82 1HE MET 82 -0.125 27.749 -1.835 632 HE2 MET 82 2HE MET 82 -1.835 27.536 -2.212 633 HE3 MET 82 3HE MET 82 -1.348 28.099 -0.613 634 H ALA 83 H ALA 83 -1.616 22.655 3.731 635 HA ALA 83 HA ALA 83 -1.347 20.262 2.378 636 HB1 ALA 83 1HB ALA 83 -1.329 19.179 4.498 637 HB2 ALA 83 2HB ALA 83 -0.590 20.766 4.714 638 HB3 ALA 83 3HB ALA 83 -2.249 20.487 5.243 639 H ILE 84 H ILE 84 -4.224 21.619 3.925 640 HA ILE 84 HA ILE 84 -5.886 19.364 3.606 641 HB ILE 84 HB ILE 84 -6.658 22.281 3.761 642 HG12 ILE 84 2HG1 ILE 84 -6.608 20.178 5.934 643 HG13 ILE 84 3HG1 ILE 84 -5.344 21.378 5.693 644 HG21 ILE 84 1HG2 ILE 84 -8.290 19.764 4.016 645 HG22 ILE 84 2HG2 ILE 84 -8.843 21.344 4.570 646 HG23 ILE 84 3HG2 ILE 84 -8.501 21.080 2.860 647 HD11 ILE 84 1HD1 ILE 84 -8.217 21.921 6.399 648 HD12 ILE 84 2HD1 ILE 84 -6.817 22.074 7.461 649 HD13 ILE 84 3HD1 ILE 84 -6.999 23.155 6.079 650 H VAL 85 H VAL 85 -5.486 22.284 1.613 651 HA VAL 85 HA VAL 85 -7.370 21.631 -0.355 652 HB VAL 85 HB VAL 85 -4.840 23.255 -0.656 653 HG11 VAL 85 1HG1 VAL 85 -7.099 22.667 -2.479 654 HG12 VAL 85 2HG1 VAL 85 -6.498 24.326 -2.446 655 HG13 VAL 85 3HG1 VAL 85 -5.405 22.998 -2.840 656 HG21 VAL 85 1HG2 VAL 85 -7.085 24.916 -0.591 657 HG22 VAL 85 2HG2 VAL 85 -7.324 23.755 0.716 658 HG23 VAL 85 3HG2 VAL 85 -5.856 24.732 0.661 659 H THR 86 H THR 86 -4.177 20.446 0.223 660 HA THR 86 HA THR 86 -3.734 19.433 -2.427 661 HB THR 86 HB THR 86 -2.331 18.885 0.191 662 HG1 THR 86 HG1 THR 86 -0.679 20.017 -1.377 663 HG21 THR 86 1HG2 THR 86 -0.543 18.032 -1.558 664 HG22 THR 86 2HG2 THR 86 -1.984 17.688 -2.515 665 HG23 THR 86 3HG2 THR 86 -1.785 16.955 -0.924 666 H LEU 87 H LEU 87 -4.205 17.788 0.708 667 HA LEU 87 HA LEU 87 -4.552 15.221 -0.272 668 HB2 LEU 87 2HB LEU 87 -5.878 14.832 1.832 669 HB3 LEU 87 3HB LEU 87 -4.260 15.496 2.048 670 HG LEU 87 HG LEU 87 -5.537 17.782 2.127 671 HD11 LEU 87 1HD1 LEU 87 -7.682 15.773 2.327 672 HD12 LEU 87 2HD1 LEU 87 -7.739 17.450 1.786 673 HD13 LEU 87 3HD1 LEU 87 -7.730 17.079 3.510 674 HD21 LEU 87 1HD2 LEU 87 -6.093 16.992 4.663 675 HD22 LEU 87 2HD2 LEU 87 -4.491 17.455 4.087 676 HD23 LEU 87 3HD2 LEU 87 -4.945 15.752 4.162 677 H LYS 88 H LYS 88 -6.751 17.902 -0.271 678 HA LYS 88 HA LYS 88 -9.109 16.337 -0.769 679 HB2 LYS 88 2HB LYS 88 -8.446 19.161 -0.397 680 HB3 LYS 88 3HB LYS 88 -9.681 18.901 -1.622 681 HG2 LYS 88 2HG LYS 88 -11.230 18.355 -0.109 682 HG3 LYS 88 3HG LYS 88 -10.108 17.357 0.819 683 HD2 LYS 88 2HD LYS 88 -9.349 19.160 2.076 684 HD3 LYS 88 3HD LYS 88 -9.901 20.345 0.889 685 HE2 LYS 88 2HE LYS 88 -12.122 20.164 1.563 686 HE3 LYS 88 3HE LYS 88 -11.861 18.601 2.335 687 HZ1 LYS 88 1HZ LYS 88 -10.707 21.152 3.319 688 HZ2 LYS 88 2HZ LYS 88 -10.667 19.650 4.096 689 HZ3 LYS 88 3HZ LYS 88 -12.136 20.468 3.912 690 H VAL 89 H VAL 89 -7.583 18.846 -2.794 691 HA VAL 89 HA VAL 89 -8.786 18.163 -5.184 692 HB VAL 89 HB VAL 89 -7.407 20.208 -4.782 693 HG11 VAL 89 1HG1 VAL 89 -5.073 20.188 -4.841 694 HG12 VAL 89 2HG1 VAL 89 -5.483 18.812 -3.814 695 HG13 VAL 89 3HG1 VAL 89 -5.011 18.552 -5.494 696 HG21 VAL 89 1HG2 VAL 89 -6.713 18.592 -7.233 697 HG22 VAL 89 2HG2 VAL 89 -8.136 19.612 -7.027 698 HG23 VAL 89 3HG2 VAL 89 -6.530 20.339 -7.072 699 H PHE 90 H PHE 90 -6.044 16.692 -3.596 700 HA PHE 90 HA PHE 90 -5.144 15.186 -5.843 701 HB2 PHE 90 2HB PHE 90 -3.589 15.612 -4.067 702 HB3 PHE 90 3HB PHE 90 -4.664 14.889 -2.875 703 HD1 PHE 90 HD1 PHE 90 -2.658 14.094 -5.896 704 HD2 PHE 90 HD2 PHE 90 -4.480 12.637 -2.335 705 HE1 PHE 90 HE1 PHE 90 -1.548 11.923 -6.220 706 HE2 PHE 90 HE2 PHE 90 -3.371 10.463 -2.654 707 HZ PHE 90 HZ PHE 90 -1.901 10.104 -4.598 708 H ALA 91 H ALA 91 -6.963 14.278 -2.915 709 HA ALA 91 HA ALA 91 -7.434 11.624 -3.483 710 HB1 ALA 91 1HB ALA 91 -9.248 11.712 -1.950 711 HB2 ALA 91 2HB ALA 91 -8.029 12.850 -1.375 712 HB3 ALA 91 3HB ALA 91 -9.465 13.442 -2.208 713 H VAL 92 H VAL 92 -9.246 14.456 -4.591 714 HA VAL 92 HA VAL 92 -11.210 12.907 -5.993 715 HB VAL 92 HB VAL 92 -11.939 15.059 -6.946 716 HG11 VAL 92 1HG1 VAL 92 -11.516 15.770 -4.114 717 HG12 VAL 92 2HG1 VAL 92 -13.009 15.667 -5.050 718 HG13 VAL 92 3HG1 VAL 92 -12.258 14.200 -4.419 719 HG21 VAL 92 1HG2 VAL 92 -9.531 16.149 -5.496 720 HG22 VAL 92 2HG2 VAL 92 -9.823 16.164 -7.235 721 HG23 VAL 92 3HG2 VAL 92 -10.827 17.140 -6.164 722 H ALA 93 H ALA 93 -8.211 14.541 -6.831 723 HA ALA 93 HA ALA 93 -8.520 14.184 -9.659 724 HB1 ALA 93 1HB ALA 93 -6.020 14.776 -9.622 725 HB2 ALA 93 2HB ALA 93 -7.175 15.998 -9.090 726 HB3 ALA 93 3HB ALA 93 -6.262 15.072 -7.900 727 H GLY 94 H GLY 94 -7.895 12.046 -7.202 728 HA2 GLY 94 2HA GLY 94 -6.390 10.261 -9.015 729 HA3 GLY 94 3HA GLY 94 -6.171 10.263 -7.271 730 H LEU 95 H LEU 95 -8.332 9.909 -6.046 731 HA LEU 95 HA LEU 95 -9.266 7.335 -6.728 732 HB2 LEU 95 2HB LEU 95 -10.304 9.382 -4.778 733 HB3 LEU 95 3HB LEU 95 -10.940 7.743 -4.908 734 HG LEU 95 HG LEU 95 -9.492 7.677 -3.075 735 HD11 LEU 95 1HD1 LEU 95 -7.852 6.758 -5.431 736 HD12 LEU 95 2HD1 LEU 95 -9.141 5.837 -4.659 737 HD13 LEU 95 3HD1 LEU 95 -7.675 6.225 -3.759 738 HD21 LEU 95 1HD2 LEU 95 -8.430 9.899 -3.651 739 HD22 LEU 95 2HD2 LEU 95 -7.306 8.995 -4.666 740 HD23 LEU 95 3HD2 LEU 95 -7.365 8.694 -2.929 741 H LEU 96 H LEU 96 -10.540 10.558 -7.276 742 HA LEU 96 HA LEU 96 -12.989 9.469 -8.438 743 HB2 LEU 96 2HB LEU 96 -12.475 11.733 -6.971 744 HB3 LEU 96 3HB LEU 96 -12.576 12.354 -8.616 745 HG LEU 96 HG LEU 96 -14.822 11.324 -8.818 746 HD11 LEU 96 1HD1 LEU 96 -14.595 9.546 -7.193 747 HD12 LEU 96 2HD1 LEU 96 -15.955 10.583 -6.767 748 HD13 LEU 96 3HD1 LEU 96 -14.432 10.724 -5.890 749 HD21 LEU 96 1HD2 LEU 96 -15.620 13.296 -8.185 750 HD22 LEU 96 2HD2 LEU 96 -14.058 13.641 -7.443 751 HD23 LEU 96 3HD2 LEU 96 -15.347 12.913 -6.485 752 H ASN 97 H ASN 97 -9.932 9.975 -9.462 753 HA ASN 97 HA ASN 97 -8.920 10.250 -11.481 754 HB2 ASN 97 2HB ASN 97 -11.551 9.597 -12.785 755 HB3 ASN 97 3HB ASN 97 -9.925 9.185 -13.321 756 HD21 ASN 97 1HD2 ASN 97 -8.857 7.451 -12.384 757 HD22 ASN 97 2HD2 ASN 97 -9.682 6.263 -11.440 758 H MET 98 H MET 98 -9.582 12.626 -10.452 759 HA MET 98 HA MET 98 -9.813 14.820 -11.003 760 HB2 MET 98 2HB MET 98 -8.765 13.686 -13.244 761 HB3 MET 98 3HB MET 98 -10.251 14.375 -13.884 762 HG2 MET 98 2HG MET 98 -9.449 16.506 -12.586 763 HG3 MET 98 3HG MET 98 -7.873 15.731 -12.724 764 HE1 MET 98 1HE MET 98 -10.816 17.238 -14.103 765 HE2 MET 98 2HE MET 98 -10.019 18.375 -15.190 766 HE3 MET 98 3HE MET 98 -10.807 16.937 -15.841 767 H THR 99 H THR 99 -11.653 15.704 -10.341 768 HA THR 99 HA THR 99 -13.976 15.671 -12.063 769 HB THR 99 HB THR 99 -14.491 14.830 -9.232 770 HG1 THR 99 HG1 THR 99 -14.623 12.627 -10.357 771 HG21 THR 99 1HG2 THR 99 -15.954 14.482 -11.851 772 HG22 THR 99 2HG2 THR 99 -16.395 15.555 -10.523 773 HG23 THR 99 3HG2 THR 99 -16.486 13.807 -10.312 774 H VAL 100 H VAL 100 -12.332 17.775 -11.394 775 HA VAL 100 HA VAL 100 -14.215 19.516 -10.023 776 HB VAL 100 HB VAL 100 -12.575 20.480 -8.524 777 HG11 VAL 100 1HG1 VAL 100 -12.339 18.657 -6.950 778 HG12 VAL 100 2HG1 VAL 100 -13.907 18.552 -7.752 779 HG13 VAL 100 3HG1 VAL 100 -12.594 17.478 -8.235 780 HG21 VAL 100 1HG2 VAL 100 -10.565 20.177 -9.817 781 HG22 VAL 100 2HG2 VAL 100 -10.353 19.417 -8.239 782 HG23 VAL 100 3HG2 VAL 100 -10.683 18.424 -9.660 783 H SER 101 H SER 101 -12.880 21.823 -9.889 784 HA SER 101 HA SER 101 -11.875 22.267 -12.624 785 HB2 SER 101 2HB SER 101 -13.997 23.642 -11.095 786 HB3 SER 101 3HB SER 101 -12.881 24.701 -11.957 787 HG SER 101 HG SER 101 -14.073 24.245 -13.623 788 H THR 102 H THR 102 -11.797 23.369 -9.264 789 HA THR 102 HA THR 102 -9.019 24.202 -9.657 790 HB THR 102 HB THR 102 -9.279 26.323 -8.631 791 HG1 THR 102 HG1 THR 102 -10.760 26.454 -7.131 792 HG21 THR 102 1HG2 THR 102 -11.723 26.167 -10.376 793 HG22 THR 102 2HG2 THR 102 -10.094 26.036 -11.041 794 HG23 THR 102 3HG2 THR 102 -10.585 27.502 -10.190 795 H ALA 103 H ALA 103 -7.867 24.527 -7.598 796 HA ALA 103 HA ALA 103 -8.123 22.376 -5.871 797 HB1 ALA 103 1HB ALA 103 -6.931 24.569 -4.472 798 HB2 ALA 103 2HB ALA 103 -6.165 23.137 -5.158 799 HB3 ALA 103 3HB ALA 103 -6.394 24.576 -6.151 800 H ALA 104 H ALA 104 -9.377 25.670 -5.534 801 HA ALA 104 HA ALA 104 -10.380 25.390 -2.915 802 HB1 ALA 104 1HB ALA 104 -10.138 27.584 -3.708 803 HB2 ALA 104 2HB ALA 104 -11.062 27.248 -5.173 804 HB3 ALA 104 3HB ALA 104 -11.880 27.327 -3.612 805 H ALA 105 H ALA 105 -11.899 24.925 -6.088 806 HA ALA 105 HA ALA 105 -14.496 24.387 -5.196 807 HB1 ALA 105 1HB ALA 105 -14.379 24.762 -7.464 808 HB2 ALA 105 2HB ALA 105 -12.971 23.721 -7.673 809 HB3 ALA 105 3HB ALA 105 -14.563 23.009 -7.409 810 H ALA 106 H ALA 106 -11.649 22.369 -5.355 811 HA ALA 106 HA ALA 106 -12.986 19.878 -5.017 812 HB1 ALA 106 1HB ALA 106 -10.670 20.194 -5.942 813 HB2 ALA 106 2HB ALA 106 -10.129 20.484 -4.289 814 HB3 ALA 106 3HB ALA 106 -10.830 18.926 -4.725 815 H GLU 107 H GLU 107 -11.253 22.033 -2.777 816 HA GLU 107 HA GLU 107 -11.610 20.486 -0.467 817 HB2 GLU 107 2HB GLU 107 -10.018 22.344 -0.591 818 HB3 GLU 107 3HB GLU 107 -11.348 23.487 -0.724 819 HG2 GLU 107 2HG GLU 107 -11.982 22.158 1.569 820 HG3 GLU 107 3HG GLU 107 -10.221 22.175 1.629 821 H ASN 108 H ASN 108 -13.504 23.262 -1.653 822 HA ASN 108 HA ASN 108 -15.439 23.227 0.372 823 HB2 ASN 108 2HB ASN 108 -14.922 24.926 -1.618 824 HB3 ASN 108 3HB ASN 108 -16.247 24.046 -2.375 825 HD21 ASN 108 1HD2 ASN 108 -15.533 26.682 -0.614 826 HD22 ASN 108 2HD2 ASN 108 -17.045 26.936 0.183 827 H MET 109 H MET 109 -15.193 21.449 -2.647 828 HA MET 109 HA MET 109 -17.839 20.400 -2.598 829 HB2 MET 109 2HB MET 109 -16.667 20.469 -4.690 830 HB3 MET 109 3HB MET 109 -15.336 19.522 -4.040 831 HG2 MET 109 2HG MET 109 -16.810 17.591 -3.822 832 HG3 MET 109 3HG MET 109 -18.148 18.540 -4.465 833 HE1 MET 109 1HE MET 109 -16.680 15.564 -6.093 834 HE2 MET 109 2HE MET 109 -15.078 16.146 -6.548 835 HE3 MET 109 3HE MET 109 -15.596 16.216 -4.863 836 H TYR 110 H TYR 110 -14.676 19.089 -1.648 837 HA TYR 110 HA TYR 110 -15.464 16.540 -0.900 838 HB2 TYR 110 2HB TYR 110 -13.110 17.881 -0.871 839 HB3 TYR 110 3HB TYR 110 -13.460 17.828 0.853 840 HD1 TYR 110 HD1 TYR 110 -12.549 16.062 2.011 841 HD2 TYR 110 HD2 TYR 110 -13.596 15.496 -2.074 842 HE1 TYR 110 HE1 TYR 110 -11.696 13.758 2.118 843 HE2 TYR 110 HE2 TYR 110 -12.748 13.190 -1.978 844 HH TYR 110 HH TYR 110 -10.748 12.047 -0.033 845 H SER 111 H SER 111 -15.481 19.530 0.999 846 HA SER 111 HA SER 111 -16.495 18.235 3.355 847 HB2 SER 111 2HB SER 111 -16.382 20.340 4.390 848 HB3 SER 111 3HB SER 111 -15.065 20.389 3.218 849 HG SER 111 HG SER 111 -16.152 21.796 2.022 850 H GLN 112 H GLN 112 -17.832 20.112 0.697 851 HA GLN 112 HA GLN 112 -20.374 20.628 1.687 852 HB2 GLN 112 2HB GLN 112 -19.620 21.618 -0.381 853 HB3 GLN 112 3HB GLN 112 -19.487 20.037 -1.140 854 HG2 GLN 112 2HG GLN 112 -21.751 19.821 -1.416 855 HG3 GLN 112 3HG GLN 112 -22.127 20.907 -0.079 856 HE21 GLN 112 1HE2 GLN 112 -21.273 20.669 -3.431 857 HE22 GLN 112 2HE2 GLN 112 -21.613 22.311 -3.848 858 H MET 113 H MET 113 -19.024 17.680 0.368 859 HA MET 113 HA MET 113 -21.598 16.349 0.296 860 HB2 MET 113 2HB MET 113 -19.143 15.972 -0.995 861 HB3 MET 113 3HB MET 113 -19.315 14.582 0.069 862 HG2 MET 113 2HG MET 113 -20.622 13.649 -1.445 863 HG3 MET 113 3HG MET 113 -21.809 14.916 -1.147 864 HE1 MET 113 1HE MET 113 -18.438 14.261 -3.339 865 HE2 MET 113 2HE MET 113 -19.769 13.121 -3.532 866 HE3 MET 113 3HE MET 113 -19.348 14.215 -4.850 867 H GLY 114 H GLY 114 -18.919 16.714 2.457 868 HA2 GLY 114 2HA GLY 114 -19.291 16.267 4.807 869 HA3 GLY 114 3HA GLY 114 -20.259 14.878 4.336 870 H LEU 115 H LEU 115 -17.202 15.626 2.819 871 HA LEU 115 HA LEU 115 -16.126 13.121 3.889 872 HB2 LEU 115 2HB LEU 115 -15.093 14.826 1.629 873 HB3 LEU 115 3HB LEU 115 -14.524 13.218 2.077 874 HG LEU 115 HG LEU 115 -17.339 13.131 1.526 875 HD11 LEU 115 1HD1 LEU 115 -15.628 14.604 -0.427 876 HD12 LEU 115 2HD1 LEU 115 -17.294 14.910 0.062 877 HD13 LEU 115 3HD1 LEU 115 -16.924 13.557 -1.005 878 HD21 LEU 115 1HD2 LEU 115 -16.331 11.115 1.265 879 HD22 LEU 115 2HD2 LEU 115 -14.829 11.817 0.661 880 HD23 LEU 115 3HD2 LEU 115 -16.226 11.671 -0.405 881 H ASP 116 H ASP 116 -15.559 16.564 3.796 882 HA ASP 116 HA ASP 116 -12.912 16.598 4.743 883 HB2 ASP 116 2HB ASP 116 -13.861 18.594 3.798 884 HB3 ASP 116 3HB ASP 116 -15.141 18.619 5.007 885 H THR 117 H THR 117 -16.014 16.501 6.420 886 HA THR 117 HA THR 117 -16.570 15.987 8.567 887 HB THR 117 HB THR 117 -13.742 15.062 9.033 888 HG1 THR 117 HG1 THR 117 -15.782 13.418 7.949 889 HG21 THR 117 1HG2 THR 117 -14.710 14.606 11.012 890 HG22 THR 117 2HG2 THR 117 -15.451 13.252 10.158 891 HG23 THR 117 3HG2 THR 117 -16.341 14.762 10.358 892 H ARG 118 H ARG 118 -16.275 16.676 10.793 893 HA ARG 118 HA ARG 118 -14.202 18.360 11.651 894 HB2 ARG 118 2HB ARG 118 -15.652 20.498 11.698 895 HB3 ARG 118 3HB ARG 118 -14.847 20.065 10.196 896 HG2 ARG 118 2HG ARG 118 -16.826 19.394 9.181 897 HG3 ARG 118 3HG ARG 118 -17.665 19.209 10.723 898 HD2 ARG 118 2HD ARG 118 -18.128 21.428 10.895 899 HD3 ARG 118 3HD ARG 118 -16.656 21.911 10.053 900 HE ARG 118 HE ARG 118 -18.336 20.652 8.213 901 HH11 ARG 118 1HH1 ARG 118 -18.236 23.543 10.148 902 HH12 ARG 118 2HH1 ARG 118 -19.188 24.475 9.041 903 HH21 ARG 118 1HH2 ARG 118 -19.592 21.867 6.746 904 HH22 ARG 118 2HH2 ARG 118 -19.961 23.520 7.107 905 HA PRO 119 HA PRO 119 -16.171 17.665 15.508 906 HB2 PRO 119 2HB PRO 119 -15.397 19.844 16.932 907 HB3 PRO 119 3HB PRO 119 -14.292 18.533 16.504 908 HG2 PRO 119 2HG PRO 119 -14.668 21.198 15.194 909 HG3 PRO 119 3HG PRO 119 -13.163 20.338 15.568 910 HD2 PRO 119 2HD PRO 119 -14.251 20.359 13.088 911 HD3 PRO 119 3HD PRO 119 -13.335 18.974 13.718 Start of MODEL 19 1 H1 GLY 2 H GLY 2 -1.249 3.145 -3.264 2 HA2 GLY 2 2HA GLY 2 0.977 2.095 -4.325 3 HA3 GLY 2 3HA GLY 2 0.416 3.695 -4.789 4 H ASN 3 H ASN 3 3.150 2.458 -4.459 5 HA ASN 3 HA ASN 3 4.246 4.513 -2.654 6 HB2 ASN 3 2HB ASN 3 5.303 1.731 -3.196 7 HB3 ASN 3 3HB ASN 3 6.160 2.959 -2.270 8 HD21 ASN 3 1HD2 ASN 3 4.969 0.270 -1.617 9 HD22 ASN 3 2HD2 ASN 3 4.010 0.560 -0.210 10 H GLY 4 H GLY 4 3.780 5.279 -5.184 11 HA2 GLY 4 2HA GLY 4 5.172 6.599 -6.594 12 HA3 GLY 4 3HA GLY 4 6.502 5.498 -6.261 13 H GLN 5 H GLN 5 5.405 6.478 -8.823 14 HA GLN 5 HA GLN 5 4.990 5.695 -10.918 15 HB2 GLN 5 2HB GLN 5 6.800 3.966 -9.815 16 HB3 GLN 5 3HB GLN 5 5.512 2.869 -10.296 17 HG2 GLN 5 2HG GLN 5 5.654 4.169 -12.558 18 HG3 GLN 5 3HG GLN 5 7.265 4.590 -11.977 19 HE21 GLN 5 1HE2 GLN 5 7.989 3.394 -13.851 20 HE22 GLN 5 2HE2 GLN 5 8.131 1.675 -13.758 21 H GLY 6 H GLY 6 3.754 3.818 -12.136 22 HA2 GLY 6 2HA GLY 6 1.926 2.238 -11.991 23 HA3 GLY 6 3HA GLY 6 1.381 3.077 -10.547 24 H ARG 7 H ARG 7 -0.415 2.553 -12.517 25 HA ARG 7 HA ARG 7 -0.672 4.676 -14.398 26 HB2 ARG 7 2HB ARG 7 -2.895 2.896 -13.402 27 HB3 ARG 7 3HB ARG 7 -2.789 3.725 -14.951 28 HG2 ARG 7 2HG ARG 7 -0.751 2.283 -15.414 29 HG3 ARG 7 3HG ARG 7 -1.243 1.332 -14.012 30 HD2 ARG 7 2HD ARG 7 -3.344 0.798 -15.034 31 HD3 ARG 7 3HD ARG 7 -3.032 1.911 -16.364 32 HE ARG 7 HE ARG 7 -1.072 -0.179 -16.098 33 HH11 ARG 7 1HH1 ARG 7 -4.126 0.740 -17.493 34 HH12 ARG 7 2HH1 ARG 7 -4.034 -0.414 -18.782 35 HH21 ARG 7 1HH2 ARG 7 -0.939 -1.704 -17.790 36 HH22 ARG 7 2HH2 ARG 7 -2.220 -1.804 -18.949 37 H ASP 8 H ASP 8 -2.580 3.876 -11.490 38 HA ASP 8 HA ASP 8 -4.111 6.193 -11.418 39 HB2 ASP 8 2HB ASP 8 -4.091 3.963 -9.942 40 HB3 ASP 8 3HB ASP 8 -3.242 5.026 -8.822 41 H TRP 9 H TRP 9 -0.807 5.669 -10.504 42 HA TRP 9 HA TRP 9 -0.551 8.032 -8.905 43 HB2 TRP 9 2HB TRP 9 0.918 5.889 -8.893 44 HB3 TRP 9 3HB TRP 9 1.756 6.649 -10.244 45 HD1 TRP 9 HD1 TRP 9 3.841 7.905 -9.490 46 HE1 TRP 9 HE1 TRP 9 4.575 9.186 -7.381 47 HE3 TRP 9 HE3 TRP 9 -0.414 7.386 -6.702 48 HZ2 TRP 9 HZ2 TRP 9 3.494 9.882 -4.868 49 HZ3 TRP 9 HZ3 TRP 9 -0.482 8.389 -4.456 50 HH2 TRP 9 HH2 TRP 9 1.433 9.609 -3.560 51 H LYS 10 H LYS 10 0.976 7.188 -12.019 52 HA LYS 10 HA LYS 10 1.785 9.772 -12.675 53 HB2 LYS 10 2HB LYS 10 1.575 7.200 -14.026 54 HB3 LYS 10 3HB LYS 10 1.281 8.547 -15.118 55 HG2 LYS 10 2HG LYS 10 3.664 8.533 -13.310 56 HG3 LYS 10 3HG LYS 10 3.680 7.668 -14.848 57 HD2 LYS 10 2HD LYS 10 4.076 9.564 -15.941 58 HD3 LYS 10 3HD LYS 10 2.616 10.287 -15.261 59 HE2 LYS 10 2HE LYS 10 4.032 10.696 -13.163 60 HE3 LYS 10 3HE LYS 10 5.422 10.352 -14.192 61 HZ1 LYS 10 1HZ LYS 10 4.267 12.118 -15.715 62 HZ2 LYS 10 2HZ LYS 10 5.264 12.598 -14.436 63 HZ3 LYS 10 3HZ LYS 10 3.583 12.631 -14.254 64 H MET 11 H MET 11 -1.319 8.242 -12.951 65 HA MET 11 HA MET 11 -2.429 10.097 -14.820 66 HB2 MET 11 2HB MET 11 -3.591 8.014 -12.993 67 HB3 MET 11 3HB MET 11 -4.631 9.111 -13.891 68 HG2 MET 11 2HG MET 11 -2.541 7.677 -15.414 69 HG3 MET 11 3HG MET 11 -3.905 6.734 -14.819 70 HE1 MET 11 1HE MET 11 -6.780 7.416 -16.361 71 HE2 MET 11 2HE MET 11 -5.799 6.584 -17.569 72 HE3 MET 11 3HE MET 11 -5.571 6.237 -15.854 73 H ALA 12 H ALA 12 -2.929 9.617 -11.320 74 HA ALA 12 HA ALA 12 -4.540 11.819 -10.844 75 HB1 ALA 12 1HB ALA 12 -4.098 11.527 -8.568 76 HB2 ALA 12 2HB ALA 12 -3.880 9.919 -9.262 77 HB3 ALA 12 3HB ALA 12 -2.474 10.909 -8.869 78 H ILE 13 H ILE 13 -1.008 11.612 -10.911 79 HA ILE 13 HA ILE 13 -0.573 14.311 -10.117 80 HB ILE 13 HB ILE 13 1.276 12.432 -11.591 81 HG12 ILE 13 2HG1 ILE 13 0.531 11.593 -9.386 82 HG13 ILE 13 3HG1 ILE 13 2.249 11.975 -9.405 83 HG21 ILE 13 1HG2 ILE 13 1.866 14.991 -10.107 84 HG22 ILE 13 2HG2 ILE 13 3.068 13.904 -10.800 85 HG23 ILE 13 3HG2 ILE 13 1.942 14.758 -11.854 86 HD11 ILE 13 1HD1 ILE 13 1.810 14.069 -8.258 87 HD12 ILE 13 2HD1 ILE 13 0.081 13.724 -8.269 88 HD13 ILE 13 3HD1 ILE 13 1.179 12.700 -7.343 89 H LYS 14 H LYS 14 -0.572 12.655 -13.257 90 HA LYS 14 HA LYS 14 0.194 14.739 -14.897 91 HB2 LYS 14 2HB LYS 14 -1.453 12.297 -15.243 92 HB3 LYS 14 3HB LYS 14 -1.609 13.529 -16.490 93 HG2 LYS 14 2HG LYS 14 1.162 13.051 -15.850 94 HG3 LYS 14 3HG LYS 14 0.340 11.557 -16.309 95 HD2 LYS 14 2HD LYS 14 0.097 12.208 -18.449 96 HD3 LYS 14 3HD LYS 14 -0.293 13.870 -18.002 97 HE2 LYS 14 2HE LYS 14 2.031 14.391 -17.700 98 HE3 LYS 14 3HE LYS 14 2.486 12.704 -17.926 99 HZ1 LYS 14 1HZ LYS 14 1.620 12.859 -20.209 100 HZ2 LYS 14 2HZ LYS 14 2.906 13.922 -19.932 101 HZ3 LYS 14 3HZ LYS 14 1.320 14.508 -19.975 102 H ARG 15 H ARG 15 -2.914 14.137 -13.390 103 HA ARG 15 HA ARG 15 -4.156 16.349 -14.819 104 HB2 ARG 15 2HB ARG 15 -5.150 13.986 -13.858 105 HB3 ARG 15 3HB ARG 15 -5.643 15.115 -12.605 106 HG2 ARG 15 2HG ARG 15 -7.032 16.286 -14.011 107 HG3 ARG 15 3HG ARG 15 -6.150 15.798 -15.460 108 HD2 ARG 15 2HD ARG 15 -7.246 13.510 -14.082 109 HD3 ARG 15 3HD ARG 15 -8.504 14.686 -14.461 110 HE ARG 15 HE ARG 15 -6.752 14.101 -16.666 111 HH11 ARG 15 1HH1 ARG 15 -9.636 13.154 -14.960 112 HH12 ARG 15 2HH1 ARG 15 -10.334 12.345 -16.324 113 HH21 ARG 15 1HH2 ARG 15 -7.661 13.039 -18.469 114 HH22 ARG 15 2HH2 ARG 15 -9.208 12.279 -18.319 115 H CYS 16 H CYS 16 -3.147 15.491 -11.542 116 HA CYS 16 HA CYS 16 -4.161 17.663 -10.149 117 HB2 CYS 16 2HB CYS 16 -1.857 15.817 -9.758 118 HB3 CYS 16 3HB CYS 16 -1.907 17.274 -8.774 119 HG CYS 16 HG CYS 16 -4.363 14.891 -8.891 120 H SER 17 H SER 17 -1.288 17.423 -12.152 121 HA SER 17 HA SER 17 -0.040 19.817 -11.397 122 HB2 SER 17 2HB SER 17 1.400 18.601 -12.686 123 HB3 SER 17 3HB SER 17 0.113 17.972 -13.716 124 HG SER 17 HG SER 17 1.399 19.415 -14.881 125 H ASN 18 H ASN 18 -2.836 19.213 -13.315 126 HA ASN 18 HA ASN 18 -2.829 21.966 -14.335 127 HB2 ASN 18 2HB ASN 18 -3.218 19.919 -15.856 128 HB3 ASN 18 3HB ASN 18 -4.809 19.835 -15.107 129 HD21 ASN 18 1HD2 ASN 18 -2.684 22.350 -16.438 130 HD22 ASN 18 2HD2 ASN 18 -3.909 23.120 -17.383 131 H VAL 19 H VAL 19 -3.374 21.329 -11.557 132 HA VAL 19 HA VAL 19 -6.195 22.172 -11.395 133 HB VAL 19 HB VAL 19 -4.620 20.684 -9.291 134 HG11 VAL 19 1HG1 VAL 19 -7.563 21.329 -9.398 135 HG12 VAL 19 2HG1 VAL 19 -6.700 20.516 -8.091 136 HG13 VAL 19 3HG1 VAL 19 -6.376 22.215 -8.440 137 HG21 VAL 19 1HG2 VAL 19 -6.202 18.819 -9.832 138 HG22 VAL 19 2HG2 VAL 19 -6.705 19.738 -11.251 139 HG23 VAL 19 3HG2 VAL 19 -5.036 19.187 -11.103 140 H ALA 20 H ALA 20 -6.287 24.286 -11.015 141 HA ALA 20 HA ALA 20 -4.212 25.860 -9.986 142 HB1 ALA 20 1HB ALA 20 -6.221 27.483 -9.524 143 HB2 ALA 20 2HB ALA 20 -5.733 27.099 -11.175 144 HB3 ALA 20 3HB ALA 20 -7.123 26.286 -10.455 145 H VAL 21 H VAL 21 -3.412 25.918 -8.000 146 HA VAL 21 HA VAL 21 -4.697 24.700 -5.776 147 HB VAL 21 HB VAL 21 -2.297 24.717 -5.846 148 HG11 VAL 21 1HG1 VAL 21 -2.628 27.687 -6.071 149 HG12 VAL 21 2HG1 VAL 21 -1.129 26.981 -5.463 150 HG13 VAL 21 3HG1 VAL 21 -1.693 26.591 -7.088 151 HG21 VAL 21 1HG2 VAL 21 -3.169 26.596 -3.656 152 HG22 VAL 21 2HG2 VAL 21 -3.422 24.851 -3.632 153 HG23 VAL 21 3HG2 VAL 21 -1.783 25.504 -3.635 154 H GLY 22 H GLY 22 -4.642 27.921 -7.063 155 HA2 GLY 22 2HA GLY 22 -6.068 29.676 -6.525 156 HA3 GLY 22 3HA GLY 22 -6.660 28.740 -5.161 157 H VAL 23 H VAL 23 -6.342 31.309 -4.663 158 HA VAL 23 HA VAL 23 -4.512 31.395 -2.535 159 HB VAL 23 HB VAL 23 -2.778 31.560 -4.215 160 HG11 VAL 23 1HG1 VAL 23 -4.127 34.046 -5.246 161 HG12 VAL 23 2HG1 VAL 23 -2.711 33.230 -5.911 162 HG13 VAL 23 3HG1 VAL 23 -4.297 32.462 -6.000 163 HG21 VAL 23 1HG2 VAL 23 -1.672 33.036 -2.968 164 HG22 VAL 23 2HG2 VAL 23 -2.690 34.366 -3.522 165 HG23 VAL 23 3HG2 VAL 23 -3.198 33.377 -2.153 166 H GLY 24 H GLY 24 -6.370 33.194 -4.922 167 HA2 GLY 24 2HA GLY 24 -8.111 34.464 -3.300 168 HA3 GLY 24 3HA GLY 24 -6.688 35.488 -3.186 169 H GLY 25 H GLY 25 -5.953 34.835 -6.009 170 HA2 GLY 25 2HA GLY 25 -7.925 35.513 -7.835 171 HA3 GLY 25 3HA GLY 25 -7.281 37.032 -7.229 172 H LYS 26 H LYS 26 -5.569 33.989 -7.826 173 HA LYS 26 HA LYS 26 -4.144 35.266 -10.051 174 HB2 LYS 26 2HB LYS 26 -3.046 34.685 -7.469 175 HB3 LYS 26 3HB LYS 26 -2.274 33.650 -8.662 176 HG2 LYS 26 2HG LYS 26 -2.268 36.096 -9.900 177 HG3 LYS 26 3HG LYS 26 -1.998 36.511 -8.206 178 HD2 LYS 26 2HD LYS 26 -0.108 35.016 -8.095 179 HD3 LYS 26 3HD LYS 26 -0.424 34.440 -9.733 180 HE2 LYS 26 2HE LYS 26 -0.210 37.301 -9.721 181 HE3 LYS 26 3HE LYS 26 1.203 36.592 -8.941 182 HZ1 LYS 26 1HZ LYS 26 0.184 35.816 -11.620 183 HZ2 LYS 26 2HZ LYS 26 1.593 35.247 -10.879 184 HZ3 LYS 26 3HZ LYS 26 1.482 36.869 -11.349 185 H SER 27 H SER 27 -2.645 33.541 -11.115 186 HA SER 27 HA SER 27 -4.210 31.055 -11.358 187 HB2 SER 27 2HB SER 27 -3.513 32.931 -13.331 188 HB3 SER 27 3HB SER 27 -2.470 31.537 -13.613 189 HG SER 27 HG SER 27 -5.224 31.186 -13.155 190 H LYS 28 H LYS 28 -3.237 29.290 -10.644 191 HA LYS 28 HA LYS 28 -0.610 28.541 -11.301 192 HB2 LYS 28 2HB LYS 28 -0.528 30.406 -9.335 193 HB3 LYS 28 3HB LYS 28 -0.654 28.938 -8.372 194 HG2 LYS 28 2HG LYS 28 1.372 28.106 -9.143 195 HG3 LYS 28 3HG LYS 28 1.376 29.162 -10.559 196 HD2 LYS 28 2HD LYS 28 1.302 30.870 -8.340 197 HD3 LYS 28 3HD LYS 28 2.473 29.613 -7.933 198 HE2 LYS 28 2HE LYS 28 3.496 30.026 -10.213 199 HE3 LYS 28 3HE LYS 28 2.474 31.458 -10.312 200 HZ1 LYS 28 1HZ LYS 28 3.516 32.113 -8.117 201 HZ2 LYS 28 2HZ LYS 28 4.514 32.201 -9.480 202 HZ3 LYS 28 3HZ LYS 28 4.666 30.905 -8.403 203 H LYS 29 H LYS 29 -0.497 26.388 -11.172 204 HA LYS 29 HA LYS 29 -2.479 25.011 -9.483 205 HB2 LYS 29 2HB LYS 29 -1.102 23.984 -11.971 206 HB3 LYS 29 3HB LYS 29 -2.355 23.154 -11.058 207 HG2 LYS 29 2HG LYS 29 -3.917 24.142 -12.270 208 HG3 LYS 29 3HG LYS 29 -3.326 25.729 -11.772 209 HD2 LYS 29 2HD LYS 29 -1.552 25.444 -13.588 210 HD3 LYS 29 3HD LYS 29 -2.540 24.106 -14.177 211 HE2 LYS 29 2HE LYS 29 -4.413 25.574 -14.523 212 HE3 LYS 29 3HE LYS 29 -3.553 26.915 -13.768 213 HZ1 LYS 29 1HZ LYS 29 -3.428 25.967 -16.460 214 HZ2 LYS 29 2HZ LYS 29 -1.891 26.087 -15.766 215 HZ3 LYS 29 3HZ LYS 29 -2.905 27.440 -15.813 216 H PHE 30 H PHE 30 -1.764 22.740 -8.850 217 HA PHE 30 HA PHE 30 1.007 22.891 -7.869 218 HB2 PHE 30 2HB PHE 30 0.241 21.271 -6.121 219 HB3 PHE 30 3HB PHE 30 -0.574 22.830 -6.054 220 HD1 PHE 30 HD1 PHE 30 -0.943 19.269 -6.680 221 HD2 PHE 30 HD2 PHE 30 -2.909 23.041 -6.736 222 HE1 PHE 30 HE1 PHE 30 -3.119 18.128 -6.792 223 HE2 PHE 30 HE2 PHE 30 -5.091 21.908 -6.848 224 HZ PHE 30 HZ PHE 30 -5.198 19.447 -6.876 225 H GLY 31 H GLY 31 2.452 21.472 -8.597 226 HA2 GLY 31 2HA GLY 31 1.479 19.228 -10.229 227 HA3 GLY 31 3HA GLY 31 3.088 19.930 -10.307 228 H GLU 32 H GLU 32 3.718 17.626 -10.207 229 HA GLU 32 HA GLU 32 3.264 15.917 -8.090 230 HB2 GLU 32 2HB GLU 32 5.449 14.883 -8.662 231 HB3 GLU 32 3HB GLU 32 4.430 15.170 -10.065 232 HG2 GLU 32 2HG GLU 32 5.853 17.457 -10.031 233 HG3 GLU 32 3HG GLU 32 7.026 16.338 -9.338 234 H GLY 33 H GLY 33 5.700 18.474 -8.371 235 HA2 GLY 33 2HA GLY 33 7.053 17.949 -5.960 236 HA3 GLY 33 3HA GLY 33 7.022 19.495 -6.797 237 H ASN 34 H ASN 34 4.500 20.345 -6.636 238 HA ASN 34 HA ASN 34 4.273 21.328 -4.034 239 HB2 ASN 34 2HB ASN 34 2.362 21.211 -6.354 240 HB3 ASN 34 3HB ASN 34 1.865 21.888 -4.806 241 HD21 ASN 34 1HD2 ASN 34 1.671 23.979 -5.388 242 HD22 ASN 34 2HD2 ASN 34 2.981 24.960 -5.941 243 H PHE 35 H PHE 35 2.538 18.682 -5.635 244 HA PHE 35 HA PHE 35 0.726 18.052 -3.635 245 HB2 PHE 35 2HB PHE 35 0.482 16.965 -5.727 246 HB3 PHE 35 3HB PHE 35 2.123 16.327 -5.675 247 HD1 PHE 35 HD1 PHE 35 2.386 14.112 -5.152 248 HD2 PHE 35 HD2 PHE 35 -1.029 16.185 -3.683 249 HE1 PHE 35 HE1 PHE 35 1.541 12.021 -4.170 250 HE2 PHE 35 HE2 PHE 35 -1.879 14.097 -2.699 251 HZ PHE 35 HZ PHE 35 -0.593 12.010 -2.941 252 H ARG 36 H ARG 36 4.065 16.933 -4.046 253 HA ARG 36 HA ARG 36 4.137 15.133 -1.907 254 HB2 ARG 36 2HB ARG 36 6.400 16.833 -2.973 255 HB3 ARG 36 3HB ARG 36 6.571 15.377 -2.001 256 HG2 ARG 36 2HG ARG 36 4.982 15.011 -4.429 257 HG3 ARG 36 3HG ARG 36 6.662 15.473 -4.717 258 HD2 ARG 36 2HD ARG 36 7.457 13.611 -3.433 259 HD3 ARG 36 3HD ARG 36 5.821 13.212 -2.912 260 HE ARG 36 HE ARG 36 5.518 12.094 -4.878 261 HH11 ARG 36 1HH1 ARG 36 8.225 14.256 -5.223 262 HH12 ARG 36 2HH1 ARG 36 8.663 13.665 -6.791 263 HH21 ARG 36 1HH2 ARG 36 6.086 11.308 -6.943 264 HH22 ARG 36 2HH2 ARG 36 7.446 11.990 -7.769 265 H TRP 37 H TRP 37 5.139 18.551 -2.004 266 HA TRP 37 HA TRP 37 5.906 18.824 0.646 267 HB2 TRP 37 2HB TRP 37 6.412 20.619 -0.798 268 HB3 TRP 37 3HB TRP 37 4.740 20.778 -1.326 269 HD1 TRP 37 HD1 TRP 37 7.157 21.986 1.299 270 HE1 TRP 37 HE1 TRP 37 5.989 23.705 2.815 271 HE3 TRP 37 HE3 TRP 37 2.343 21.333 -0.292 272 HZ2 TRP 37 HZ2 TRP 37 3.372 24.659 3.277 273 HZ3 TRP 37 HZ3 TRP 37 0.566 22.687 0.738 274 HH2 TRP 37 HH2 TRP 37 1.072 24.315 2.487 275 H ALA 38 H ALA 38 2.707 18.780 -0.764 276 HA ALA 38 HA ALA 38 1.391 19.693 1.630 277 HB1 ALA 38 1HB ALA 38 0.630 19.076 -1.106 278 HB2 ALA 38 2HB ALA 38 -0.550 18.506 0.075 279 HB3 ALA 38 3HB ALA 38 -0.086 20.208 0.040 280 H ILE 39 H ILE 39 1.153 16.625 -0.181 281 HA ILE 39 HA ILE 39 -0.147 15.135 1.737 282 HB ILE 39 HB ILE 39 0.279 14.351 -0.564 283 HG12 ILE 39 2HG1 ILE 39 1.274 12.470 1.588 284 HG13 ILE 39 3HG1 ILE 39 -0.414 12.762 1.181 285 HG21 ILE 39 1HG2 ILE 39 2.358 13.584 -1.311 286 HG22 ILE 39 2HG2 ILE 39 2.726 15.088 -0.468 287 HG23 ILE 39 3HG2 ILE 39 3.028 13.539 0.319 288 HD11 ILE 39 1HD1 ILE 39 0.919 12.027 -1.199 289 HD12 ILE 39 2HD1 ILE 39 1.385 10.883 0.060 290 HD13 ILE 39 3HD1 ILE 39 -0.320 11.141 -0.310 291 H ARG 40 H ARG 40 3.284 15.865 1.472 292 HA ARG 40 HA ARG 40 4.112 14.064 3.522 293 HB2 ARG 40 2HB ARG 40 5.660 14.856 1.792 294 HB3 ARG 40 3HB ARG 40 5.499 16.501 2.392 295 HG2 ARG 40 2HG ARG 40 6.828 16.124 4.197 296 HG3 ARG 40 3HG ARG 40 6.384 14.420 4.308 297 HD2 ARG 40 2HD ARG 40 8.114 15.587 2.133 298 HD3 ARG 40 3HD ARG 40 8.741 14.828 3.596 299 HE ARG 40 HE ARG 40 6.967 13.054 2.342 300 HH11 ARG 40 1HH1 ARG 40 10.103 14.489 1.860 301 HH12 ARG 40 2HH1 ARG 40 10.714 13.157 0.936 302 HH21 ARG 40 1HH2 ARG 40 7.761 11.295 1.126 303 HH22 ARG 40 2HH2 ARG 40 9.381 11.341 0.518 304 H MET 41 H MET 41 3.707 17.605 3.429 305 HA MET 41 HA MET 41 4.327 18.165 6.067 306 HB2 MET 41 2HB MET 41 3.943 19.870 4.315 307 HB3 MET 41 3HB MET 41 2.219 19.526 4.379 308 HG2 MET 41 2HG MET 41 2.900 20.051 7.009 309 HG3 MET 41 3HG MET 41 3.837 21.215 6.076 310 HE1 MET 41 1HE MET 41 1.044 21.862 8.181 311 HE2 MET 41 2HE MET 41 2.494 22.738 7.692 312 HE3 MET 41 3HE MET 41 0.899 23.386 7.304 313 H ALA 42 H ALA 42 1.312 16.993 4.684 314 HA ALA 42 HA ALA 42 -0.225 17.285 7.069 315 HB1 ALA 42 1HB ALA 42 -1.850 15.800 5.892 316 HB2 ALA 42 2HB ALA 42 -1.374 17.230 4.974 317 HB3 ALA 42 3HB ALA 42 -0.683 15.657 4.576 318 H ASN 43 H ASN 43 1.570 14.623 5.587 319 HA ASN 43 HA ASN 43 0.748 12.580 7.318 320 HB2 ASN 43 2HB ASN 43 2.629 12.890 5.209 321 HB3 ASN 43 3HB ASN 43 3.478 12.164 6.570 322 HD21 ASN 43 1HD2 ASN 43 3.698 10.233 5.410 323 HD22 ASN 43 2HD2 ASN 43 2.371 9.143 5.211 324 H VAL 44 H VAL 44 3.676 14.611 7.453 325 HA VAL 44 HA VAL 44 4.641 13.596 9.889 326 HB VAL 44 HB VAL 44 5.082 16.372 8.781 327 HG11 VAL 44 1HG1 VAL 44 6.372 14.754 10.927 328 HG12 VAL 44 2HG1 VAL 44 7.354 15.881 9.989 329 HG13 VAL 44 3HG1 VAL 44 5.964 16.469 10.901 330 HG21 VAL 44 1HG2 VAL 44 6.294 13.724 8.102 331 HG22 VAL 44 2HG2 VAL 44 5.759 15.018 7.029 332 HG23 VAL 44 3HG2 VAL 44 7.249 15.200 7.957 333 H SER 45 H SER 45 2.513 16.326 9.161 334 HA SER 45 HA SER 45 2.370 17.445 11.711 335 HB2 SER 45 2HB SER 45 0.370 17.364 9.452 336 HB3 SER 45 3HB SER 45 0.089 18.273 10.936 337 HG SER 45 HG SER 45 2.355 18.608 9.262 338 H THR 46 H THR 46 1.029 14.528 10.471 339 HA THR 46 HA THR 46 -0.716 14.251 12.821 340 HB THR 46 HB THR 46 -1.596 12.219 11.529 341 HG1 THR 46 HG1 THR 46 -1.156 12.187 9.336 342 HG21 THR 46 1HG2 THR 46 -1.995 15.006 10.436 343 HG22 THR 46 2HG2 THR 46 -2.899 14.249 11.748 344 HG23 THR 46 3HG2 THR 46 -3.048 13.632 10.103 345 H GLY 47 H GLY 47 2.238 13.207 11.493 346 HA2 GLY 47 2HA GLY 47 3.838 11.778 12.324 347 HA3 GLY 47 3HA GLY 47 2.838 11.594 13.757 348 H ARG 48 H ARG 48 2.168 10.800 10.359 349 HA ARG 48 HA ARG 48 1.341 8.132 11.203 350 HB2 ARG 48 2HB ARG 48 0.004 9.691 9.630 351 HB3 ARG 48 3HB ARG 48 1.162 9.201 8.399 352 HG2 ARG 48 2HG ARG 48 0.424 7.007 8.392 353 HG3 ARG 48 3HG ARG 48 -0.313 7.145 9.990 354 HD2 ARG 48 2HD ARG 48 -1.310 8.732 7.644 355 HD3 ARG 48 3HD ARG 48 -1.866 7.088 7.953 356 HE ARG 48 HE ARG 48 -2.621 9.456 9.368 357 HH11 ARG 48 1HH1 ARG 48 -2.187 6.013 9.650 358 HH12 ARG 48 2HH1 ARG 48 -3.317 5.846 10.953 359 HH21 ARG 48 1HH2 ARG 48 -4.110 9.248 11.083 360 HH22 ARG 48 2HH2 ARG 48 -4.411 7.687 11.767 361 H GLU 49 H GLU 49 4.083 8.549 11.374 362 HA GLU 49 HA GLU 49 6.060 7.563 10.831 363 HB2 GLU 49 2HB GLU 49 4.012 5.703 9.930 364 HB3 GLU 49 3HB GLU 49 5.479 5.585 8.967 365 HG2 GLU 49 2HG GLU 49 6.655 4.664 10.634 366 HG3 GLU 49 3HG GLU 49 5.926 5.700 11.860 367 HA PRO 50 HA PRO 50 7.523 9.378 7.117 368 HB2 PRO 50 2HB PRO 50 9.650 7.805 6.506 369 HB3 PRO 50 3HB PRO 50 9.653 8.943 7.860 370 HG2 PRO 50 2HG PRO 50 9.186 5.985 7.872 371 HG3 PRO 50 3HG PRO 50 10.151 6.971 8.987 372 HD2 PRO 50 2HD PRO 50 7.654 6.112 9.589 373 HD3 PRO 50 3HD PRO 50 8.302 7.655 10.182 374 H GLY 51 H GLY 51 7.553 5.813 6.856 375 HA2 GLY 51 2HA GLY 51 7.042 5.970 4.003 376 HA3 GLY 51 3HA GLY 51 7.284 4.505 4.942 377 H ASP 52 H ASP 52 4.938 7.128 4.442 378 HA ASP 52 HA ASP 52 2.800 5.124 4.534 379 HB2 ASP 52 2HB ASP 52 3.250 7.224 6.486 380 HB3 ASP 52 3HB ASP 52 1.677 7.394 5.712 381 H ILE 53 H ILE 53 2.677 5.326 2.273 382 HA ILE 53 HA ILE 53 1.594 7.902 1.332 383 HB ILE 53 HB ILE 53 2.991 5.849 -0.381 384 HG12 ILE 53 2HG1 ILE 53 4.572 6.772 1.245 385 HG13 ILE 53 3HG1 ILE 53 4.921 7.375 -0.371 386 HG21 ILE 53 1HG2 ILE 53 1.716 7.085 -1.836 387 HG22 ILE 53 2HG2 ILE 53 1.802 8.541 -0.846 388 HG23 ILE 53 3HG2 ILE 53 3.196 8.042 -1.803 389 HD11 ILE 53 1HD1 ILE 53 4.508 8.849 1.981 390 HD12 ILE 53 2HD1 ILE 53 4.765 9.457 0.346 391 HD13 ILE 53 3HD1 ILE 53 3.127 9.168 0.932 392 HA PRO 54 HA PRO 54 -1.684 4.598 0.946 393 HB2 PRO 54 2HB PRO 54 -3.644 6.046 2.143 394 HB3 PRO 54 3HB PRO 54 -2.522 5.018 3.043 395 HG2 PRO 54 2HG PRO 54 -2.453 7.981 2.621 396 HG3 PRO 54 3HG PRO 54 -2.144 7.055 4.100 397 HD2 PRO 54 2HD PRO 54 -0.151 8.042 2.555 398 HD3 PRO 54 3HD PRO 54 0.010 6.529 3.470 399 H GLU 55 H GLU 55 -4.120 5.207 0.237 400 HA GLU 55 HA GLU 55 -4.533 7.509 -1.324 401 HB2 GLU 55 2HB GLU 55 -2.717 6.122 -2.615 402 HB3 GLU 55 3HB GLU 55 -4.092 5.141 -3.103 403 HG2 GLU 55 2HG GLU 55 -4.939 6.743 -4.451 404 HG3 GLU 55 3HG GLU 55 -4.371 8.062 -3.429 405 H THR 56 H THR 56 -6.350 6.902 0.196 406 HA THR 56 HA THR 56 -8.438 5.617 -1.368 407 HB THR 56 HB THR 56 -9.193 4.169 0.436 408 HG1 THR 56 HG1 THR 56 -6.809 4.852 1.833 409 HG21 THR 56 1HG2 THR 56 -7.442 3.404 -1.240 410 HG22 THR 56 2HG2 THR 56 -7.559 2.467 0.249 411 HG23 THR 56 3HG2 THR 56 -6.256 3.637 0.043 412 H LEU 57 H LEU 57 -10.465 6.413 -0.956 413 HA LEU 57 HA LEU 57 -10.767 8.947 0.087 414 HB2 LEU 57 2HB LEU 57 -12.387 7.116 -1.175 415 HB3 LEU 57 3HB LEU 57 -13.158 7.308 0.398 416 HG LEU 57 HG LEU 57 -14.127 8.784 -1.306 417 HD11 LEU 57 1HD1 LEU 57 -13.875 10.914 -0.030 418 HD12 LEU 57 2HD1 LEU 57 -12.630 10.125 0.936 419 HD13 LEU 57 3HD1 LEU 57 -14.283 9.513 0.960 420 HD21 LEU 57 1HD2 LEU 57 -12.949 10.301 -2.539 421 HD22 LEU 57 2HD2 LEU 57 -11.725 9.040 -2.377 422 HD23 LEU 57 3HD2 LEU 57 -11.673 10.462 -1.332 423 H ASP 58 H ASP 58 -11.015 5.847 1.710 424 HA ASP 58 HA ASP 58 -12.157 6.795 4.120 425 HB2 ASP 58 2HB ASP 58 -11.494 4.315 3.082 426 HB3 ASP 58 3HB ASP 58 -10.383 4.497 4.437 427 H GLN 59 H GLN 59 -8.790 6.079 3.217 428 HA GLN 59 HA GLN 59 -7.643 6.853 5.665 429 HB2 GLN 59 2HB GLN 59 -6.326 5.531 4.200 430 HB3 GLN 59 3HB GLN 59 -6.536 6.663 2.870 431 HG2 GLN 59 2HG GLN 59 -5.189 7.611 5.343 432 HG3 GLN 59 3HG GLN 59 -4.302 6.560 4.241 433 HE21 GLN 59 1HE2 GLN 59 -5.053 7.345 1.808 434 HE22 GLN 59 2HE2 GLN 59 -4.639 8.999 1.529 435 H LEU 60 H LEU 60 -7.989 8.648 2.610 436 HA LEU 60 HA LEU 60 -6.793 11.023 3.354 437 HB2 LEU 60 2HB LEU 60 -8.002 10.171 1.132 438 HB3 LEU 60 3HB LEU 60 -9.285 11.204 1.758 439 HG LEU 60 HG LEU 60 -8.036 12.496 0.211 440 HD11 LEU 60 1HD1 LEU 60 -8.542 13.363 2.657 441 HD12 LEU 60 2HD1 LEU 60 -7.675 14.350 1.482 442 HD13 LEU 60 3HD1 LEU 60 -6.783 13.468 2.721 443 HD21 LEU 60 1HD2 LEU 60 -5.784 12.479 -0.066 444 HD22 LEU 60 2HD2 LEU 60 -5.965 10.878 0.650 445 HD23 LEU 60 3HD2 LEU 60 -5.461 12.240 1.651 446 H ARG 61 H ARG 61 -10.118 9.951 3.916 447 HA ARG 61 HA ARG 61 -11.061 12.362 5.036 448 HB2 ARG 61 2HB ARG 61 -12.650 10.743 4.280 449 HB3 ARG 61 3HB ARG 61 -11.981 9.504 5.332 450 HG2 ARG 61 2HG ARG 61 -13.015 11.959 6.623 451 HG3 ARG 61 3HG ARG 61 -14.193 10.846 5.922 452 HD2 ARG 61 2HD ARG 61 -12.138 9.488 7.469 453 HD3 ARG 61 3HD ARG 61 -13.049 10.654 8.427 454 HE ARG 61 HE ARG 61 -14.730 8.959 6.848 455 HH11 ARG 61 1HH1 ARG 61 -12.939 9.191 9.824 456 HH12 ARG 61 2HH1 ARG 61 -13.923 8.036 10.660 457 HH21 ARG 61 1HH2 ARG 61 -16.035 7.437 7.937 458 HH22 ARG 61 2HH2 ARG 61 -15.684 7.039 9.584 459 H LEU 62 H LEU 62 -9.554 9.500 6.456 460 HA LEU 62 HA LEU 62 -9.917 10.212 9.158 461 HB2 LEU 62 2HB LEU 62 -9.349 7.962 8.564 462 HB3 LEU 62 3HB LEU 62 -7.848 8.492 7.807 463 HG LEU 62 HG LEU 62 -6.950 9.094 10.001 464 HD11 LEU 62 1HD1 LEU 62 -9.080 9.670 11.077 465 HD12 LEU 62 2HD1 LEU 62 -8.135 8.533 12.039 466 HD13 LEU 62 3HD1 LEU 62 -9.517 7.961 11.105 467 HD21 LEU 62 1HD2 LEU 62 -8.062 6.290 9.955 468 HD22 LEU 62 2HD2 LEU 62 -6.659 6.851 10.863 469 HD23 LEU 62 3HD2 LEU 62 -6.615 6.826 9.099 470 H VAL 63 H VAL 63 -7.290 10.845 6.873 471 HA VAL 63 HA VAL 63 -5.558 12.101 8.725 472 HB VAL 63 HB VAL 63 -5.714 12.450 5.728 473 HG11 VAL 63 1HG1 VAL 63 -4.328 14.168 6.166 474 HG12 VAL 63 2HG1 VAL 63 -3.951 13.586 7.788 475 HG13 VAL 63 3HG1 VAL 63 -3.128 12.896 6.388 476 HG21 VAL 63 1HG2 VAL 63 -3.641 10.903 5.936 477 HG22 VAL 63 2HG2 VAL 63 -4.329 10.478 7.504 478 HG23 VAL 63 3HG2 VAL 63 -5.255 10.198 6.029 479 H ILE 64 H ILE 64 -7.591 13.540 6.168 480 HA ILE 64 HA ILE 64 -7.218 16.200 6.806 481 HB ILE 64 HB ILE 64 -8.435 15.353 4.800 482 HG12 ILE 64 2HG1 ILE 64 -10.015 17.390 6.381 483 HG13 ILE 64 3HG1 ILE 64 -8.496 17.742 5.563 484 HG21 ILE 64 1HG2 ILE 64 -9.877 13.731 5.886 485 HG22 ILE 64 2HG2 ILE 64 -10.709 15.021 6.753 486 HG23 ILE 64 3HG2 ILE 64 -10.845 14.907 4.998 487 HD11 ILE 64 1HD1 ILE 64 -9.789 16.761 3.490 488 HD12 ILE 64 2HD1 ILE 64 -11.192 17.257 4.437 489 HD13 ILE 64 3HD1 ILE 64 -9.969 18.443 3.985 490 H CYS 65 H CYS 65 -9.237 13.820 8.368 491 HA CYS 65 HA CYS 65 -10.852 15.610 9.854 492 HB2 CYS 65 2HB CYS 65 -11.556 13.320 9.565 493 HB3 CYS 65 3HB CYS 65 -10.095 12.724 10.345 494 HG CYS 65 HG CYS 65 -11.831 14.780 12.306 495 H ASP 66 H ASP 66 -8.103 13.596 10.918 496 HA ASP 66 HA ASP 66 -7.848 14.786 13.447 497 HB2 ASP 66 2HB ASP 66 -5.610 13.523 11.859 498 HB3 ASP 66 3HB ASP 66 -5.739 13.652 13.610 499 H LEU 67 H LEU 67 -6.440 15.594 10.326 500 HA LEU 67 HA LEU 67 -4.593 17.517 11.297 501 HB2 LEU 67 2HB LEU 67 -4.600 16.344 9.040 502 HB3 LEU 67 3HB LEU 67 -5.838 17.503 8.560 503 HG LEU 67 HG LEU 67 -4.236 19.338 8.971 504 HD11 LEU 67 1HD1 LEU 67 -2.466 18.947 10.250 505 HD12 LEU 67 2HD1 LEU 67 -1.784 18.004 8.927 506 HD13 LEU 67 3HD1 LEU 67 -2.731 17.205 10.181 507 HD21 LEU 67 1HD2 LEU 67 -4.503 18.404 6.731 508 HD22 LEU 67 2HD2 LEU 67 -3.255 17.205 7.076 509 HD23 LEU 67 3HD2 LEU 67 -2.839 18.919 7.014 510 H GLN 68 H GLN 68 -7.833 17.805 9.857 511 HA GLN 68 HA GLN 68 -8.067 20.564 9.864 512 HB2 GLN 68 2HB GLN 68 -9.722 19.193 8.779 513 HB3 GLN 68 3HB GLN 68 -10.173 18.446 10.305 514 HG2 GLN 68 2HG GLN 68 -11.590 20.082 10.806 515 HG3 GLN 68 3HG GLN 68 -10.428 21.334 10.370 516 HE21 GLN 68 1HE2 GLN 68 -13.314 21.115 9.854 517 HE22 GLN 68 2HE2 GLN 68 -13.493 21.252 8.141 518 H GLU 69 H GLU 69 -8.717 18.263 12.472 519 HA GLU 69 HA GLU 69 -9.732 20.166 14.306 520 HB2 GLU 69 2HB GLU 69 -9.865 17.567 14.340 521 HB3 GLU 69 3HB GLU 69 -8.315 17.664 15.164 522 HG2 GLU 69 2HG GLU 69 -9.557 19.329 16.729 523 HG3 GLU 69 3HG GLU 69 -11.006 18.558 16.084 524 H ARG 70 H ARG 70 -6.498 18.859 13.726 525 HA ARG 70 HA ARG 70 -5.240 20.125 15.917 526 HB2 ARG 70 2HB ARG 70 -4.150 19.097 13.296 527 HB3 ARG 70 3HB ARG 70 -3.133 19.719 14.590 528 HG2 ARG 70 2HG ARG 70 -3.598 17.935 15.990 529 HG3 ARG 70 3HG ARG 70 -5.078 17.513 15.124 530 HD2 ARG 70 2HD ARG 70 -3.900 16.535 13.356 531 HD3 ARG 70 3HD ARG 70 -2.391 17.330 13.804 532 HE ARG 70 HE ARG 70 -3.433 14.866 14.857 533 HH11 ARG 70 1HH1 ARG 70 -1.330 17.575 15.452 534 HH12 ARG 70 2HH1 ARG 70 -0.337 16.723 16.587 535 HH21 ARG 70 1HH2 ARG 70 -2.134 13.732 16.349 536 HH22 ARG 70 2HH2 ARG 70 -0.794 14.536 17.095 537 H ARG 71 H ARG 71 -5.155 20.961 12.448 538 HA ARG 71 HA ARG 71 -3.833 23.403 12.737 539 HB2 ARG 71 2HB ARG 71 -4.448 23.863 10.495 540 HB3 ARG 71 3HB ARG 71 -4.261 22.118 10.595 541 HG2 ARG 71 2HG ARG 71 -6.233 22.067 9.547 542 HG3 ARG 71 3HG ARG 71 -6.904 22.395 11.146 543 HD2 ARG 71 2HD ARG 71 -6.247 24.901 10.246 544 HD3 ARG 71 3HD ARG 71 -6.781 24.094 8.772 545 HE ARG 71 HE ARG 71 -8.408 24.872 11.007 546 HH11 ARG 71 1HH1 ARG 71 -8.110 22.693 8.309 547 HH12 ARG 71 2HH1 ARG 71 -9.815 22.411 8.181 548 HH21 ARG 71 1HH2 ARG 71 -10.654 24.509 10.849 549 HH22 ARG 71 2HH2 ARG 71 -11.261 23.445 9.626 550 H GLU 72 H GLU 72 -7.149 22.541 13.271 551 HA GLU 72 HA GLU 72 -8.291 25.122 13.086 552 HB2 GLU 72 2HB GLU 72 -9.740 23.224 13.007 553 HB3 GLU 72 3HB GLU 72 -9.147 22.629 14.551 554 HG2 GLU 72 2HG GLU 72 -10.257 25.307 14.733 555 HG3 GLU 72 3HG GLU 72 -11.419 24.119 14.144 556 H LYS 73 H LYS 73 -7.470 23.205 15.981 557 HA LYS 73 HA LYS 73 -7.871 25.283 17.823 558 HB2 LYS 73 2HB LYS 73 -6.853 22.576 17.858 559 HB3 LYS 73 3HB LYS 73 -5.897 23.613 18.909 560 HG2 LYS 73 2HG LYS 73 -7.665 24.051 20.315 561 HG3 LYS 73 3HG LYS 73 -8.873 23.701 19.077 562 HD2 LYS 73 2HD LYS 73 -9.091 21.778 20.250 563 HD3 LYS 73 3HD LYS 73 -7.709 21.288 19.267 564 HE2 LYS 73 2HE LYS 73 -7.062 20.719 21.429 565 HE3 LYS 73 3HE LYS 73 -6.280 22.277 21.166 566 HZ1 LYS 73 1HZ LYS 73 -7.218 22.551 23.227 567 HZ2 LYS 73 2HZ LYS 73 -8.585 21.623 22.870 568 HZ3 LYS 73 3HZ LYS 73 -8.438 23.188 22.242 569 H PHE 74 H PHE 74 -5.225 24.560 15.719 570 HA PHE 74 HA PHE 74 -3.339 26.221 17.155 571 HB2 PHE 74 2HB PHE 74 -3.226 24.277 15.006 572 HB3 PHE 74 3HB PHE 74 -2.310 25.726 14.603 573 HD1 PHE 74 HD1 PHE 74 -2.820 23.456 17.523 574 HD2 PHE 74 HD2 PHE 74 -0.099 25.749 15.189 575 HE1 PHE 74 HE1 PHE 74 -0.956 22.659 18.918 576 HE2 PHE 74 HE2 PHE 74 1.769 24.955 16.579 577 HZ PHE 74 HZ PHE 74 1.342 23.407 18.447 578 H GLY 75 H GLY 75 -5.639 26.548 14.594 579 HA2 GLY 75 2HA GLY 75 -6.433 28.774 14.065 580 HA3 GLY 75 3HA GLY 75 -4.785 29.351 14.255 581 H SER 76 H SER 76 -6.140 30.061 12.025 582 HA SER 76 HA SER 76 -5.916 28.316 9.831 583 HB2 SER 76 2HB SER 76 -5.862 31.344 9.856 584 HB3 SER 76 3HB SER 76 -6.163 30.334 8.442 585 HG SER 76 HG SER 76 -7.747 30.070 10.756 586 H SER 77 H SER 77 -4.411 28.312 8.093 587 HA SER 77 HA SER 77 -1.950 29.734 8.200 588 HB2 SER 77 2HB SER 77 -0.908 28.407 9.706 589 HB3 SER 77 3HB SER 77 -2.108 27.125 9.547 590 HG SER 77 HG SER 77 0.230 26.882 8.719 591 H LYS 78 H LYS 78 -1.415 29.987 6.145 592 HA LYS 78 HA LYS 78 -2.629 28.733 3.997 593 HB2 LYS 78 2HB LYS 78 -0.282 30.468 4.384 594 HB3 LYS 78 3HB LYS 78 -0.224 29.475 2.934 595 HG2 LYS 78 2HG LYS 78 -1.953 30.566 1.944 596 HG3 LYS 78 3HG LYS 78 -2.736 30.948 3.479 597 HD2 LYS 78 2HD LYS 78 -1.845 32.984 3.427 598 HD3 LYS 78 3HD LYS 78 -0.227 32.279 3.415 599 HE2 LYS 78 2HE LYS 78 -0.325 33.631 1.495 600 HE3 LYS 78 3HE LYS 78 -0.540 31.981 0.911 601 HZ1 LYS 78 1HZ LYS 78 -2.122 33.965 0.195 602 HZ2 LYS 78 2HZ LYS 78 -2.957 33.467 1.578 603 HZ3 LYS 78 3HZ LYS 78 -2.673 32.370 0.322 604 H GLU 79 H GLU 79 0.077 27.707 5.914 605 HA GLU 79 HA GLU 79 1.188 25.838 4.108 606 HB2 GLU 79 2HB GLU 79 1.246 25.910 7.129 607 HB3 GLU 79 3HB GLU 79 2.227 24.840 6.139 608 HG2 GLU 79 2HG GLU 79 3.773 26.406 5.998 609 HG3 GLU 79 3HG GLU 79 2.627 27.458 5.171 610 H ILE 80 H ILE 80 -0.881 25.277 6.962 611 HA ILE 80 HA ILE 80 -1.377 22.560 6.337 612 HB ILE 80 HB ILE 80 -3.022 24.397 8.080 613 HG12 ILE 80 2HG1 ILE 80 -0.726 22.560 8.796 614 HG13 ILE 80 3HG1 ILE 80 -0.663 24.318 8.772 615 HG21 ILE 80 1HG2 ILE 80 -4.378 22.668 8.376 616 HG22 ILE 80 2HG2 ILE 80 -3.410 21.702 7.262 617 HG23 ILE 80 3HG2 ILE 80 -3.023 21.714 8.983 618 HD11 ILE 80 1HD1 ILE 80 -0.905 23.692 11.024 619 HD12 ILE 80 2HD1 ILE 80 -2.491 24.273 10.512 620 HD13 ILE 80 3HD1 ILE 80 -2.187 22.541 10.647 621 H ASP 81 H ASP 81 -3.218 25.533 5.786 622 HA ASP 81 HA ASP 81 -5.581 24.466 4.822 623 HB2 ASP 81 2HB ASP 81 -4.104 26.998 4.121 624 HB3 ASP 81 3HB ASP 81 -5.668 26.609 3.413 625 H MET 82 H MET 82 -2.556 25.087 3.091 626 HA MET 82 HA MET 82 -3.551 24.318 0.540 627 HB2 MET 82 2HB MET 82 -0.887 24.925 1.710 628 HB3 MET 82 3HB MET 82 -0.913 23.975 0.231 629 HG2 MET 82 2HG MET 82 -1.963 25.694 -0.980 630 HG3 MET 82 3HG MET 82 -2.381 26.576 0.487 631 HE1 MET 82 1HE MET 82 -1.825 28.496 -0.542 632 HE2 MET 82 2HE MET 82 -0.412 29.242 0.206 633 HE3 MET 82 3HE MET 82 -0.384 28.823 -1.506 634 H ALA 83 H ALA 83 -1.739 22.634 3.074 635 HA ALA 83 HA ALA 83 -1.292 20.236 1.688 636 HB1 ALA 83 1HB ALA 83 -0.023 20.206 3.549 637 HB2 ALA 83 2HB ALA 83 -1.200 21.116 4.497 638 HB3 ALA 83 3HB ALA 83 -1.423 19.385 4.242 639 H ILE 84 H ILE 84 -3.996 21.304 3.700 640 HA ILE 84 HA ILE 84 -5.383 18.851 3.753 641 HB ILE 84 HB ILE 84 -6.464 21.662 3.979 642 HG12 ILE 84 2HG1 ILE 84 -6.046 19.730 6.241 643 HG13 ILE 84 3HG1 ILE 84 -4.710 20.717 5.656 644 HG21 ILE 84 1HG2 ILE 84 -7.785 19.074 3.914 645 HG22 ILE 84 2HG2 ILE 84 -8.135 19.979 5.386 646 HG23 ILE 84 3HG2 ILE 84 -8.468 20.697 3.810 647 HD11 ILE 84 1HD1 ILE 84 -5.922 21.651 7.617 648 HD12 ILE 84 2HD1 ILE 84 -5.859 22.725 6.219 649 HD13 ILE 84 3HD1 ILE 84 -7.339 21.839 6.584 650 H VAL 85 H VAL 85 -6.006 21.757 1.776 651 HA VAL 85 HA VAL 85 -7.997 20.687 0.161 652 HB VAL 85 HB VAL 85 -7.419 23.086 0.220 653 HG11 VAL 85 1HG1 VAL 85 -5.032 23.017 0.224 654 HG12 VAL 85 2HG1 VAL 85 -4.999 22.188 -1.334 655 HG13 VAL 85 3HG1 VAL 85 -5.541 23.863 -1.236 656 HG21 VAL 85 1HG2 VAL 85 -8.806 22.361 -1.577 657 HG22 VAL 85 2HG2 VAL 85 -7.624 23.486 -2.247 658 HG23 VAL 85 3HG2 VAL 85 -7.420 21.750 -2.480 659 H THR 86 H THR 86 -4.555 20.238 0.058 660 HA THR 86 HA THR 86 -4.360 19.293 -2.610 661 HB THR 86 HB THR 86 -2.569 18.836 -0.219 662 HG1 THR 86 HG1 THR 86 -2.849 21.006 -1.264 663 HG21 THR 86 1HG2 THR 86 -1.731 17.146 -1.454 664 HG22 THR 86 2HG2 THR 86 -0.991 18.439 -2.398 665 HG23 THR 86 3HG2 THR 86 -2.505 17.711 -2.934 666 H LEU 87 H LEU 87 -4.508 17.584 0.513 667 HA LEU 87 HA LEU 87 -4.496 14.985 -0.537 668 HB2 LEU 87 2HB LEU 87 -5.892 15.843 1.987 669 HB3 LEU 87 3HB LEU 87 -5.224 14.256 1.612 670 HG LEU 87 HG LEU 87 -3.227 16.384 1.558 671 HD11 LEU 87 1HD1 LEU 87 -5.033 16.906 3.445 672 HD12 LEU 87 2HD1 LEU 87 -3.305 17.163 3.684 673 HD13 LEU 87 3HD1 LEU 87 -4.074 15.706 4.311 674 HD21 LEU 87 1HD2 LEU 87 -2.024 14.760 2.965 675 HD22 LEU 87 2HD2 LEU 87 -2.653 14.033 1.485 676 HD23 LEU 87 3HD2 LEU 87 -3.476 13.759 3.022 677 H LYS 88 H LYS 88 -7.080 17.296 -0.066 678 HA LYS 88 HA LYS 88 -9.231 15.475 -0.451 679 HB2 LYS 88 2HB LYS 88 -9.143 18.472 -0.847 680 HB3 LYS 88 3HB LYS 88 -10.603 17.496 -0.761 681 HG2 LYS 88 2HG LYS 88 -10.362 17.100 1.509 682 HG3 LYS 88 3HG LYS 88 -8.639 17.483 1.492 683 HD2 LYS 88 2HD LYS 88 -9.257 19.481 2.290 684 HD3 LYS 88 3HD LYS 88 -9.774 19.827 0.638 685 HE2 LYS 88 2HE LYS 88 -11.988 19.551 1.127 686 HE3 LYS 88 3HE LYS 88 -11.670 18.389 2.414 687 HZ1 LYS 88 1HZ LYS 88 -10.680 21.045 2.945 688 HZ2 LYS 88 2HZ LYS 88 -11.560 20.000 3.940 689 HZ3 LYS 88 3HZ LYS 88 -12.363 20.959 2.802 690 H VAL 89 H VAL 89 -8.079 18.081 -2.604 691 HA VAL 89 HA VAL 89 -9.459 17.267 -4.877 692 HB VAL 89 HB VAL 89 -8.368 19.458 -4.685 693 HG11 VAL 89 1HG1 VAL 89 -6.093 19.798 -4.628 694 HG12 VAL 89 2HG1 VAL 89 -6.240 18.314 -3.685 695 HG13 VAL 89 3HG1 VAL 89 -5.732 18.242 -5.373 696 HG21 VAL 89 1HG2 VAL 89 -8.740 18.024 -6.929 697 HG22 VAL 89 2HG2 VAL 89 -8.150 19.686 -6.923 698 HG23 VAL 89 3HG2 VAL 89 -7.011 18.347 -7.057 699 H PHE 90 H PHE 90 -6.579 15.993 -3.447 700 HA PHE 90 HA PHE 90 -5.620 14.643 -5.780 701 HB2 PHE 90 2HB PHE 90 -4.085 15.224 -3.978 702 HB3 PHE 90 3HB PHE 90 -4.994 14.222 -2.852 703 HD1 PHE 90 HD1 PHE 90 -3.171 13.981 -6.093 704 HD2 PHE 90 HD2 PHE 90 -4.284 12.069 -2.456 705 HE1 PHE 90 HE1 PHE 90 -1.758 12.053 -6.678 706 HE2 PHE 90 HE2 PHE 90 -2.872 10.139 -3.034 707 HZ PHE 90 HZ PHE 90 -1.606 10.130 -5.147 708 H ALA 91 H ALA 91 -7.608 13.757 -3.005 709 HA ALA 91 HA ALA 91 -7.772 10.988 -3.642 710 HB1 ALA 91 1HB ALA 91 -8.938 12.802 -1.667 711 HB2 ALA 91 2HB ALA 91 -10.004 11.482 -2.149 712 HB3 ALA 91 3HB ALA 91 -8.403 11.130 -1.498 713 H VAL 92 H VAL 92 -9.905 13.762 -4.232 714 HA VAL 92 HA VAL 92 -11.942 12.259 -5.524 715 HB VAL 92 HB VAL 92 -11.375 15.202 -5.880 716 HG11 VAL 92 1HG1 VAL 92 -13.117 15.075 -7.261 717 HG12 VAL 92 2HG1 VAL 92 -13.449 13.405 -6.797 718 HG13 VAL 92 3HG1 VAL 92 -14.111 14.735 -5.846 719 HG21 VAL 92 1HG2 VAL 92 -13.296 15.208 -4.041 720 HG22 VAL 92 2HG2 VAL 92 -12.518 13.687 -3.599 721 HG23 VAL 92 3HG2 VAL 92 -11.585 15.184 -3.613 722 H ALA 93 H ALA 93 -9.412 14.421 -6.802 723 HA ALA 93 HA ALA 93 -9.971 13.764 -9.524 724 HB1 ALA 93 1HB ALA 93 -7.434 14.999 -8.479 725 HB2 ALA 93 2HB ALA 93 -8.144 15.161 -10.086 726 HB3 ALA 93 3HB ALA 93 -8.931 15.908 -8.695 727 H GLY 94 H GLY 94 -8.309 12.165 -7.050 728 HA2 GLY 94 2HA GLY 94 -6.601 10.699 -8.940 729 HA3 GLY 94 3HA GLY 94 -6.432 10.693 -7.191 730 H LEU 95 H LEU 95 -8.145 9.595 -5.951 731 HA LEU 95 HA LEU 95 -8.571 6.987 -6.881 732 HB2 LEU 95 2HB LEU 95 -9.720 8.579 -4.616 733 HB3 LEU 95 3HB LEU 95 -10.268 6.936 -4.943 734 HG LEU 95 HG LEU 95 -8.632 6.891 -3.184 735 HD11 LEU 95 1HD1 LEU 95 -6.773 5.855 -5.093 736 HD12 LEU 95 2HD1 LEU 95 -8.418 5.465 -5.597 737 HD13 LEU 95 3HD1 LEU 95 -7.849 4.986 -3.997 738 HD21 LEU 95 1HD2 LEU 95 -6.477 7.920 -4.958 739 HD22 LEU 95 2HD2 LEU 95 -6.604 7.949 -3.199 740 HD23 LEU 95 3HD2 LEU 95 -7.548 9.080 -4.170 741 H LEU 96 H LEU 96 -10.842 9.708 -6.575 742 HA LEU 96 HA LEU 96 -12.991 8.248 -7.796 743 HB2 LEU 96 2HB LEU 96 -12.752 10.559 -6.260 744 HB3 LEU 96 3HB LEU 96 -13.307 11.123 -7.835 745 HG LEU 96 HG LEU 96 -14.989 9.012 -7.328 746 HD11 LEU 96 1HD1 LEU 96 -15.802 9.261 -5.073 747 HD12 LEU 96 2HD1 LEU 96 -14.601 10.509 -4.741 748 HD13 LEU 96 3HD1 LEU 96 -14.087 8.848 -5.036 749 HD21 LEU 96 1HD2 LEU 96 -16.089 10.802 -8.150 750 HD22 LEU 96 2HD2 LEU 96 -15.125 11.956 -7.229 751 HD23 LEU 96 3HD2 LEU 96 -16.450 11.091 -6.448 752 H ASN 97 H ASN 97 -10.245 9.603 -9.026 753 HA ASN 97 HA ASN 97 -9.560 10.302 -11.084 754 HB2 ASN 97 2HB ASN 97 -10.708 7.940 -11.426 755 HB3 ASN 97 3HB ASN 97 -11.865 8.889 -12.354 756 HD21 ASN 97 1HD2 ASN 97 -11.423 8.450 -14.402 757 HD22 ASN 97 2HD2 ASN 97 -9.869 8.585 -15.145 758 H MET 98 H MET 98 -11.491 11.986 -9.689 759 HA MET 98 HA MET 98 -13.389 13.020 -11.530 760 HB2 MET 98 2HB MET 98 -13.117 13.285 -8.896 761 HB3 MET 98 3HB MET 98 -12.277 14.753 -9.376 762 HG2 MET 98 2HG MET 98 -14.523 15.348 -8.969 763 HG3 MET 98 3HG MET 98 -14.301 15.362 -10.717 764 HE1 MET 98 1HE MET 98 -16.022 15.117 -11.823 765 HE2 MET 98 2HE MET 98 -16.191 13.444 -12.353 766 HE3 MET 98 3HE MET 98 -17.505 14.227 -11.472 767 H THR 99 H THR 99 -13.354 15.047 -12.622 768 HA THR 99 HA THR 99 -10.687 15.734 -13.605 769 HB THR 99 HB THR 99 -13.246 16.842 -14.725 770 HG1 THR 99 HG1 THR 99 -13.403 15.002 -16.024 771 HG21 THR 99 1HG2 THR 99 -10.701 16.058 -16.132 772 HG22 THR 99 2HG2 THR 99 -10.950 17.656 -15.430 773 HG23 THR 99 3HG2 THR 99 -12.001 17.089 -16.726 774 H VAL 100 H VAL 100 -11.001 16.654 -11.085 775 HA VAL 100 HA VAL 100 -12.176 19.108 -10.639 776 HB VAL 100 HB VAL 100 -9.513 18.172 -9.561 777 HG11 VAL 100 1HG1 VAL 100 -9.735 20.511 -9.152 778 HG12 VAL 100 2HG1 VAL 100 -11.412 20.321 -8.636 779 HG13 VAL 100 3HG1 VAL 100 -10.104 19.673 -7.645 780 HG21 VAL 100 1HG2 VAL 100 -11.335 16.577 -9.163 781 HG22 VAL 100 2HG2 VAL 100 -10.785 17.329 -7.665 782 HG23 VAL 100 3HG2 VAL 100 -12.289 17.861 -8.418 783 H SER 101 H SER 101 -11.579 21.240 -10.899 784 HA SER 101 HA SER 101 -9.424 21.705 -12.848 785 HB2 SER 101 2HB SER 101 -11.387 23.860 -12.355 786 HB3 SER 101 3HB SER 101 -10.719 23.268 -13.875 787 HG SER 101 HG SER 101 -13.057 22.640 -12.668 788 H THR 102 H THR 102 -10.739 22.678 -9.755 789 HA THR 102 HA THR 102 -8.240 24.106 -9.197 790 HB THR 102 HB THR 102 -9.341 25.970 -8.176 791 HG1 THR 102 HG1 THR 102 -11.879 24.966 -8.923 792 HG21 THR 102 1HG2 THR 102 -10.909 25.601 -10.707 793 HG22 THR 102 2HG2 THR 102 -9.158 25.800 -10.750 794 HG23 THR 102 3HG2 THR 102 -10.172 27.067 -10.059 795 H ALA 103 H ALA 103 -7.465 23.841 -7.156 796 HA ALA 103 HA ALA 103 -8.193 21.666 -5.625 797 HB1 ALA 103 1HB ALA 103 -6.541 22.284 -4.190 798 HB2 ALA 103 2HB ALA 103 -6.116 23.319 -5.555 799 HB3 ALA 103 3HB ALA 103 -7.019 23.982 -4.193 800 H ALA 104 H ALA 104 -9.406 24.952 -5.505 801 HA ALA 104 HA ALA 104 -10.729 24.815 -3.023 802 HB1 ALA 104 1HB ALA 104 -10.333 26.941 -4.062 803 HB2 ALA 104 2HB ALA 104 -11.309 26.489 -5.461 804 HB3 ALA 104 3HB ALA 104 -12.075 26.715 -3.887 805 H ALA 105 H ALA 105 -11.998 24.375 -6.327 806 HA ALA 105 HA ALA 105 -14.614 23.722 -5.645 807 HB1 ALA 105 1HB ALA 105 -13.208 22.454 -7.971 808 HB2 ALA 105 2HB ALA 105 -14.887 22.979 -7.842 809 HB3 ALA 105 3HB ALA 105 -13.596 24.174 -7.954 810 H ALA 106 H ALA 106 -11.733 21.706 -5.775 811 HA ALA 106 HA ALA 106 -13.008 19.203 -5.533 812 HB1 ALA 106 1HB ALA 106 -10.490 19.071 -4.253 813 HB2 ALA 106 2HB ALA 106 -10.919 18.545 -5.880 814 HB3 ALA 106 3HB ALA 106 -10.337 20.188 -5.610 815 H GLU 107 H GLU 107 -11.389 21.185 -3.043 816 HA GLU 107 HA GLU 107 -12.150 19.578 -0.866 817 HB2 GLU 107 2HB GLU 107 -11.547 21.506 0.532 818 HB3 GLU 107 3HB GLU 107 -10.337 21.199 -0.706 819 HG2 GLU 107 2HG GLU 107 -11.163 23.025 -2.037 820 HG3 GLU 107 3HG GLU 107 -12.491 23.288 -0.909 821 H ASN 108 H ASN 108 -13.760 22.220 -2.513 822 HA ASN 108 HA ASN 108 -15.737 22.798 -0.619 823 HB2 ASN 108 2HB ASN 108 -15.484 24.312 -2.426 824 HB3 ASN 108 3HB ASN 108 -15.677 23.036 -3.624 825 HD21 ASN 108 1HD2 ASN 108 -17.334 24.127 -4.662 826 HD22 ASN 108 2HD2 ASN 108 -18.918 24.256 -3.986 827 H MET 109 H MET 109 -15.741 20.482 -3.312 828 HA MET 109 HA MET 109 -18.363 19.497 -2.655 829 HB2 MET 109 2HB MET 109 -17.327 19.542 -4.976 830 HB3 MET 109 3HB MET 109 -16.339 18.181 -4.464 831 HG2 MET 109 2HG MET 109 -18.426 16.929 -3.970 832 HG3 MET 109 3HG MET 109 -19.339 18.271 -4.655 833 HE1 MET 109 1HE MET 109 -17.276 15.076 -5.339 834 HE2 MET 109 2HE MET 109 -19.036 15.003 -5.420 835 HE3 MET 109 3HE MET 109 -18.074 14.715 -6.871 836 H TYR 110 H TYR 110 -15.033 18.383 -2.241 837 HA TYR 110 HA TYR 110 -15.506 15.827 -1.279 838 HB2 TYR 110 2HB TYR 110 -13.269 16.932 -1.810 839 HB3 TYR 110 3HB TYR 110 -13.344 17.631 -0.196 840 HD1 TYR 110 HD1 TYR 110 -13.668 14.298 -1.864 841 HD2 TYR 110 HD2 TYR 110 -12.304 16.491 1.519 842 HE1 TYR 110 HE1 TYR 110 -12.686 12.244 -0.934 843 HE2 TYR 110 HE2 TYR 110 -11.317 14.443 2.455 844 HH TYR 110 HH TYR 110 -11.829 11.854 2.166 845 H SER 111 H SER 111 -15.623 18.918 0.403 846 HA SER 111 HA SER 111 -16.153 17.642 2.956 847 HB2 SER 111 2HB SER 111 -15.781 20.484 2.054 848 HB3 SER 111 3HB SER 111 -16.474 20.136 3.638 849 HG SER 111 HG SER 111 -13.915 19.457 2.648 850 H GLN 112 H GLN 112 -17.888 19.288 0.407 851 HA GLN 112 HA GLN 112 -20.304 19.701 1.838 852 HB2 GLN 112 2HB GLN 112 -19.466 19.800 -1.015 853 HB3 GLN 112 3HB GLN 112 -21.186 19.662 -0.678 854 HG2 GLN 112 2HG GLN 112 -19.782 21.712 0.880 855 HG3 GLN 112 3HG GLN 112 -19.830 21.995 -0.859 856 HE21 GLN 112 1HE2 GLN 112 -21.446 23.242 -1.427 857 HE22 GLN 112 2HE2 GLN 112 -23.019 23.273 -0.714 858 H MET 113 H MET 113 -18.925 16.983 0.187 859 HA MET 113 HA MET 113 -21.446 15.531 0.138 860 HB2 MET 113 2HB MET 113 -18.693 15.034 -0.918 861 HB3 MET 113 3HB MET 113 -19.778 13.669 -0.688 862 HG2 MET 113 2HG MET 113 -21.223 15.695 -2.032 863 HG3 MET 113 3HG MET 113 -19.666 15.517 -2.837 864 HE1 MET 113 1HE MET 113 -18.619 13.341 -3.162 865 HE2 MET 113 2HE MET 113 -19.426 11.806 -3.477 866 HE3 MET 113 3HE MET 113 -19.392 13.057 -4.721 867 H GLY 114 H GLY 114 -19.316 16.255 2.478 868 HA2 GLY 114 2HA GLY 114 -19.089 15.409 4.612 869 HA3 GLY 114 3HA GLY 114 -20.198 14.119 4.169 870 H LEU 115 H LEU 115 -17.426 14.629 2.181 871 HA LEU 115 HA LEU 115 -16.426 12.007 2.862 872 HB2 LEU 115 2HB LEU 115 -15.022 13.911 1.035 873 HB3 LEU 115 3HB LEU 115 -15.102 12.152 0.965 874 HG LEU 115 HG LEU 115 -17.264 14.106 0.194 875 HD11 LEU 115 1HD1 LEU 115 -16.217 14.023 -1.767 876 HD12 LEU 115 2HD1 LEU 115 -16.762 12.350 -1.880 877 HD13 LEU 115 3HD1 LEU 115 -15.161 12.713 -1.235 878 HD21 LEU 115 1HD2 LEU 115 -17.322 11.098 0.378 879 HD22 LEU 115 2HD2 LEU 115 -18.513 12.060 -0.498 880 HD23 LEU 115 3HD2 LEU 115 -18.338 12.247 1.248 881 H ASP 116 H ASP 116 -15.676 15.303 3.600 882 HA ASP 116 HA ASP 116 -12.977 14.906 4.408 883 HB2 ASP 116 2HB ASP 116 -13.516 17.133 3.921 884 HB3 ASP 116 3HB ASP 116 -15.005 17.076 4.860 885 H THR 117 H THR 117 -16.056 15.048 6.164 886 HA THR 117 HA THR 117 -16.677 14.286 8.218 887 HB THR 117 HB THR 117 -14.142 12.642 8.144 888 HG1 THR 117 HG1 THR 117 -15.600 12.357 6.303 889 HG21 THR 117 1HG2 THR 117 -14.824 12.105 10.214 890 HG22 THR 117 2HG2 THR 117 -16.102 11.192 9.412 891 HG23 THR 117 3HG2 THR 117 -16.411 12.835 9.974 892 H ARG 118 H ARG 118 -16.518 16.123 9.432 893 HA ARG 118 HA ARG 118 -14.010 17.120 10.395 894 HB2 ARG 118 2HB ARG 118 -16.872 17.872 10.666 895 HB3 ARG 118 3HB ARG 118 -15.781 18.418 11.934 896 HG2 ARG 118 2HG ARG 118 -15.174 20.111 10.651 897 HG3 ARG 118 3HG ARG 118 -14.517 18.968 9.477 898 HD2 ARG 118 2HD ARG 118 -16.057 20.313 8.294 899 HD3 ARG 118 3HD ARG 118 -16.858 18.764 8.554 900 HE ARG 118 HE ARG 118 -17.613 20.351 10.668 901 HH11 ARG 118 1HH1 ARG 118 -17.851 20.496 7.198 902 HH12 ARG 118 2HH1 ARG 118 -19.327 21.405 7.207 903 HH21 ARG 118 1HH2 ARG 118 -19.554 21.548 10.693 904 HH22 ARG 118 2HH2 ARG 118 -20.294 22.003 9.196 905 HA PRO 119 HA PRO 119 -13.554 14.956 14.182 906 HB2 PRO 119 2HB PRO 119 -12.700 16.901 15.874 907 HB3 PRO 119 3HB PRO 119 -11.690 16.239 14.584 908 HG2 PRO 119 2HG PRO 119 -13.283 18.773 14.630 909 HG3 PRO 119 3HG PRO 119 -11.642 18.494 14.019 910 HD2 PRO 119 2HD PRO 119 -13.799 18.633 12.388 911 HD3 PRO 119 3HD PRO 119 -12.398 17.604 12.031 Start of MODEL 20 1 H1 GLY 2 H GLY 2 3.206 0.600 0.503 2 HA2 GLY 2 2HA GLY 2 5.557 1.583 0.484 3 HA3 GLY 2 3HA GLY 2 5.122 0.663 -0.949 4 H ASN 3 H ASN 3 7.098 2.612 -0.999 5 HA ASN 3 HA ASN 3 5.875 4.968 -2.219 6 HB2 ASN 3 2HB ASN 3 8.250 5.810 -2.282 7 HB3 ASN 3 3HB ASN 3 7.628 5.480 -0.668 8 HD21 ASN 3 1HD2 ASN 3 8.342 3.610 0.427 9 HD22 ASN 3 2HD2 ASN 3 9.836 2.850 0.007 10 H GLY 4 H GLY 4 6.634 5.750 -4.297 11 HA2 GLY 4 2HA GLY 4 8.200 4.892 -6.195 12 HA3 GLY 4 3HA GLY 4 7.112 3.513 -6.136 13 H GLN 5 H GLN 5 7.030 4.370 -8.485 14 HA GLN 5 HA GLN 5 4.907 6.399 -8.696 15 HB2 GLN 5 2HB GLN 5 6.967 5.531 -10.732 16 HB3 GLN 5 3HB GLN 5 5.668 6.675 -11.051 17 HG2 GLN 5 2HG GLN 5 7.211 7.410 -8.713 18 HG3 GLN 5 3HG GLN 5 8.213 7.267 -10.157 19 HE21 GLN 5 1HE2 GLN 5 8.205 8.876 -11.586 20 HE22 GLN 5 2HE2 GLN 5 7.136 10.232 -11.553 21 H GLY 6 H GLY 6 3.174 4.982 -8.377 22 HA2 GLY 6 2HA GLY 6 2.903 2.679 -10.139 23 HA3 GLY 6 3HA GLY 6 1.809 3.135 -8.843 24 H ARG 7 H ARG 7 0.693 2.329 -11.143 25 HA ARG 7 HA ARG 7 0.255 4.204 -13.148 26 HB2 ARG 7 2HB ARG 7 -1.898 2.981 -13.537 27 HB3 ARG 7 3HB ARG 7 -0.478 1.946 -13.455 28 HG2 ARG 7 2HG ARG 7 -1.055 1.465 -11.077 29 HG3 ARG 7 3HG ARG 7 -2.558 2.357 -11.322 30 HD2 ARG 7 2HD ARG 7 -2.796 0.731 -13.378 31 HD3 ARG 7 3HD ARG 7 -1.700 -0.273 -12.429 32 HE ARG 7 HE ARG 7 -3.434 -0.754 -11.025 33 HH11 ARG 7 1HH1 ARG 7 -4.224 2.109 -12.841 34 HH12 ARG 7 2HH1 ARG 7 -5.845 2.202 -12.238 35 HH21 ARG 7 1HH2 ARG 7 -5.567 -0.644 -10.226 36 HH22 ARG 7 2HH2 ARG 7 -6.608 0.636 -10.750 37 H ASP 8 H ASP 8 -1.526 3.697 -10.120 38 HA ASP 8 HA ASP 8 -3.376 5.821 -10.611 39 HB2 ASP 8 2HB ASP 8 -2.688 4.274 -8.108 40 HB3 ASP 8 3HB ASP 8 -3.960 5.490 -8.184 41 H TRP 9 H TRP 9 -0.244 5.559 -9.127 42 HA TRP 9 HA TRP 9 -0.309 7.959 -7.628 43 HB2 TRP 9 2HB TRP 9 1.377 5.948 -7.577 44 HB3 TRP 9 3HB TRP 9 2.235 6.887 -8.796 45 HD1 TRP 9 HD1 TRP 9 4.180 8.083 -7.654 46 HE1 TRP 9 HE1 TRP 9 4.517 9.394 -5.466 47 HE3 TRP 9 HE3 TRP 9 -0.470 7.472 -5.619 48 HZ2 TRP 9 HZ2 TRP 9 3.010 10.078 -3.178 49 HZ3 TRP 9 HZ3 TRP 9 -0.940 8.486 -3.427 50 HH2 TRP 9 HH2 TRP 9 0.766 9.762 -2.233 51 H LYS 10 H LYS 10 1.315 7.252 -10.729 52 HA LYS 10 HA LYS 10 1.984 9.918 -11.304 53 HB2 LYS 10 2HB LYS 10 2.369 7.409 -12.501 54 HB3 LYS 10 3HB LYS 10 1.525 8.374 -13.705 55 HG2 LYS 10 2HG LYS 10 3.349 10.164 -13.018 56 HG3 LYS 10 3HG LYS 10 4.240 8.709 -12.563 57 HD2 LYS 10 2HD LYS 10 3.015 8.317 -15.121 58 HD3 LYS 10 3HD LYS 10 3.930 9.827 -15.135 59 HE2 LYS 10 2HE LYS 10 5.889 8.609 -14.258 60 HE3 LYS 10 3HE LYS 10 4.967 7.108 -14.333 61 HZ1 LYS 10 1HZ LYS 10 5.388 8.805 -16.719 62 HZ2 LYS 10 2HZ LYS 10 4.910 7.184 -16.656 63 HZ3 LYS 10 3HZ LYS 10 6.499 7.612 -16.264 64 H MET 11 H MET 11 -0.810 7.951 -12.243 65 HA MET 11 HA MET 11 -2.011 9.834 -13.947 66 HB2 MET 11 2HB MET 11 -3.080 7.515 -12.360 67 HB3 MET 11 3HB MET 11 -4.152 8.538 -13.307 68 HG2 MET 11 2HG MET 11 -3.066 7.945 -15.332 69 HG3 MET 11 3HG MET 11 -1.759 7.141 -14.466 70 HE1 MET 11 1HE MET 11 -3.009 3.924 -15.803 71 HE2 MET 11 2HE MET 11 -3.358 5.313 -16.832 72 HE3 MET 11 3HE MET 11 -1.860 5.259 -15.903 73 H ALA 12 H ALA 12 -2.210 9.346 -10.464 74 HA ALA 12 HA ALA 12 -4.347 11.085 -9.930 75 HB1 ALA 12 1HB ALA 12 -3.437 11.164 -7.628 76 HB2 ALA 12 2HB ALA 12 -3.581 9.526 -8.264 77 HB3 ALA 12 3HB ALA 12 -2.003 10.311 -8.200 78 H ILE 13 H ILE 13 -0.835 11.681 -9.802 79 HA ILE 13 HA ILE 13 -1.070 14.439 -9.207 80 HB ILE 13 HB ILE 13 1.236 12.954 -10.475 81 HG12 ILE 13 2HG1 ILE 13 0.677 13.692 -7.593 82 HG13 ILE 13 3HG1 ILE 13 0.631 12.069 -8.273 83 HG21 ILE 13 1HG2 ILE 13 1.386 15.346 -10.880 84 HG22 ILE 13 2HG2 ILE 13 1.144 15.668 -9.164 85 HG23 ILE 13 3HG2 ILE 13 2.603 14.842 -9.708 86 HD11 ILE 13 1HD1 ILE 13 3.078 12.449 -8.879 87 HD12 ILE 13 2HD1 ILE 13 3.003 13.824 -7.776 88 HD13 ILE 13 3HD1 ILE 13 2.680 12.196 -7.180 89 H LYS 14 H LYS 14 -0.585 12.667 -12.238 90 HA LYS 14 HA LYS 14 -0.267 14.884 -13.923 91 HB2 LYS 14 2HB LYS 14 -1.228 12.073 -14.386 92 HB3 LYS 14 3HB LYS 14 -1.189 13.244 -15.697 93 HG2 LYS 14 2HG LYS 14 1.281 12.928 -14.096 94 HG3 LYS 14 3HG LYS 14 0.833 11.603 -15.174 95 HD2 LYS 14 2HD LYS 14 0.844 13.048 -17.074 96 HD3 LYS 14 3HD LYS 14 1.008 14.480 -16.055 97 HE2 LYS 14 2HE LYS 14 3.189 13.263 -15.249 98 HE3 LYS 14 3HE LYS 14 3.037 12.419 -16.789 99 HZ1 LYS 14 1HZ LYS 14 2.881 15.357 -16.706 100 HZ2 LYS 14 2HZ LYS 14 3.354 14.349 -17.978 101 HZ3 LYS 14 3HZ LYS 14 4.391 14.596 -16.664 102 H ARG 15 H ARG 15 -3.084 13.505 -12.454 103 HA ARG 15 HA ARG 15 -4.979 14.724 -14.230 104 HB2 ARG 15 2HB ARG 15 -5.051 13.002 -11.862 105 HB3 ARG 15 3HB ARG 15 -6.356 14.181 -11.906 106 HG2 ARG 15 2HG ARG 15 -7.388 13.174 -13.632 107 HG3 ARG 15 3HG ARG 15 -5.872 12.737 -14.422 108 HD2 ARG 15 2HD ARG 15 -5.765 11.159 -12.230 109 HD3 ARG 15 3HD ARG 15 -7.508 11.239 -12.483 110 HE ARG 15 HE ARG 15 -5.587 9.857 -14.101 111 HH11 ARG 15 1HH1 ARG 15 -8.698 11.421 -14.093 112 HH12 ARG 15 2HH1 ARG 15 -9.296 10.528 -15.453 113 HH21 ARG 15 1HH2 ARG 15 -6.363 8.676 -15.892 114 HH22 ARG 15 2HH2 ARG 15 -7.968 8.966 -16.474 115 H CYS 16 H CYS 16 -4.119 15.316 -10.817 116 HA CYS 16 HA CYS 16 -5.594 17.697 -10.572 117 HB2 CYS 16 2HB CYS 16 -4.447 18.026 -8.497 118 HB3 CYS 16 3HB CYS 16 -4.704 16.295 -8.682 119 HG CYS 16 HG CYS 16 -2.267 15.741 -8.128 120 H SER 17 H SER 17 -2.515 17.026 -11.973 121 HA SER 17 HA SER 17 -1.188 19.441 -11.756 122 HB2 SER 17 2HB SER 17 0.158 17.920 -12.803 123 HB3 SER 17 3HB SER 17 -1.175 17.209 -13.713 124 HG SER 17 HG SER 17 0.599 19.069 -14.490 125 H ASN 18 H ASN 18 -3.941 18.602 -13.712 126 HA ASN 18 HA ASN 18 -3.778 21.035 -15.287 127 HB2 ASN 18 2HB ASN 18 -5.363 18.546 -15.361 128 HB3 ASN 18 3HB ASN 18 -6.221 19.995 -15.879 129 HD21 ASN 18 1HD2 ASN 18 -3.204 18.217 -16.368 130 HD22 ASN 18 2HD2 ASN 18 -3.038 18.613 -18.041 131 H VAL 19 H VAL 19 -5.415 19.826 -12.473 132 HA VAL 19 HA VAL 19 -7.546 21.677 -12.379 133 HB VAL 19 HB VAL 19 -6.174 20.283 -10.075 134 HG11 VAL 19 1HG1 VAL 19 -8.908 21.546 -10.256 135 HG12 VAL 19 2HG1 VAL 19 -8.269 20.657 -8.872 136 HG13 VAL 19 3HG1 VAL 19 -7.530 22.183 -9.359 137 HG21 VAL 19 1HG2 VAL 19 -7.097 18.824 -11.922 138 HG22 VAL 19 2HG2 VAL 19 -7.750 18.532 -10.310 139 HG23 VAL 19 3HG2 VAL 19 -8.692 19.441 -11.491 140 H ALA 20 H ALA 20 -7.773 23.632 -11.328 141 HA ALA 20 HA ALA 20 -5.456 25.278 -11.196 142 HB1 ALA 20 1HB ALA 20 -7.915 26.243 -9.889 143 HB2 ALA 20 2HB ALA 20 -6.897 27.010 -11.108 144 HB3 ALA 20 3HB ALA 20 -8.072 25.785 -11.585 145 H VAL 21 H VAL 21 -4.742 26.499 -9.325 146 HA VAL 21 HA VAL 21 -5.120 25.026 -6.799 147 HB VAL 21 HB VAL 21 -2.788 25.840 -6.218 148 HG11 VAL 21 1HG1 VAL 21 -2.658 23.620 -6.571 149 HG12 VAL 21 2HG1 VAL 21 -3.548 23.703 -8.092 150 HG13 VAL 21 3HG1 VAL 21 -1.830 24.102 -8.052 151 HG21 VAL 21 1HG2 VAL 21 -1.549 27.006 -7.666 152 HG22 VAL 21 2HG2 VAL 21 -1.985 25.959 -9.015 153 HG23 VAL 21 3HG2 VAL 21 -3.049 27.286 -8.550 154 H GLY 22 H GLY 22 -6.572 27.375 -7.827 155 HA2 GLY 22 2HA GLY 22 -7.058 28.838 -5.625 156 HA3 GLY 22 3HA GLY 22 -5.609 29.610 -6.250 157 H VAL 23 H VAL 23 -7.798 31.140 -6.015 158 HA VAL 23 HA VAL 23 -8.922 31.310 -8.732 159 HB VAL 23 HB VAL 23 -9.994 32.504 -6.171 160 HG11 VAL 23 1HG1 VAL 23 -10.743 32.788 -9.027 161 HG12 VAL 23 2HG1 VAL 23 -12.049 32.676 -7.845 162 HG13 VAL 23 3HG1 VAL 23 -10.840 33.954 -7.709 163 HG21 VAL 23 1HG2 VAL 23 -11.901 30.851 -6.768 164 HG22 VAL 23 2HG2 VAL 23 -10.660 30.025 -7.710 165 HG23 VAL 23 3HG2 VAL 23 -10.451 30.241 -5.972 166 H GLY 24 H GLY 24 -8.306 33.615 -6.075 167 HA2 GLY 24 2HA GLY 24 -7.713 35.717 -7.950 168 HA3 GLY 24 3HA GLY 24 -7.646 35.830 -6.198 169 H GLY 25 H GLY 25 -5.732 37.031 -7.799 170 HA2 GLY 25 2HA GLY 25 -3.427 37.293 -7.522 171 HA3 GLY 25 3HA GLY 25 -3.352 35.684 -6.819 172 H LYS 26 H LYS 26 -2.939 33.931 -8.110 173 HA LYS 26 HA LYS 26 -2.386 34.521 -10.944 174 HB2 LYS 26 2HB LYS 26 -0.836 32.909 -8.938 175 HB3 LYS 26 3HB LYS 26 -0.681 32.583 -10.660 176 HG2 LYS 26 2HG LYS 26 -0.212 35.135 -10.829 177 HG3 LYS 26 3HG LYS 26 0.148 34.991 -9.107 178 HD2 LYS 26 2HD LYS 26 1.378 32.954 -10.850 179 HD3 LYS 26 3HD LYS 26 1.967 34.605 -11.065 180 HE2 LYS 26 2HE LYS 26 1.799 34.175 -8.291 181 HE3 LYS 26 3HE LYS 26 2.536 32.726 -8.971 182 HZ1 LYS 26 1HZ LYS 26 4.369 34.019 -8.702 183 HZ2 LYS 26 2HZ LYS 26 3.536 35.475 -8.928 184 HZ3 LYS 26 3HZ LYS 26 3.936 34.514 -10.261 185 H SER 27 H SER 27 -2.449 32.592 -12.368 186 HA SER 27 HA SER 27 -4.608 30.777 -11.520 187 HB2 SER 27 2HB SER 27 -5.127 32.308 -13.429 188 HB3 SER 27 3HB SER 27 -3.836 31.533 -14.348 189 HG SER 27 HG SER 27 -5.987 30.676 -14.721 190 H LYS 28 H LYS 28 -2.316 29.912 -10.600 191 HA LYS 28 HA LYS 28 -0.910 28.255 -12.504 192 HB2 LYS 28 2HB LYS 28 -0.687 28.562 -9.507 193 HB3 LYS 28 3HB LYS 28 0.316 27.463 -10.446 194 HG2 LYS 28 2HG LYS 28 0.395 30.072 -11.619 195 HG3 LYS 28 3HG LYS 28 0.769 30.176 -9.898 196 HD2 LYS 28 2HD LYS 28 2.651 28.862 -10.092 197 HD3 LYS 28 3HD LYS 28 2.059 28.044 -11.540 198 HE2 LYS 28 2HE LYS 28 2.429 30.066 -12.847 199 HE3 LYS 28 3HE LYS 28 2.975 30.915 -11.403 200 HZ1 LYS 28 1HZ LYS 28 4.776 29.238 -11.232 201 HZ2 LYS 28 2HZ LYS 28 4.877 30.205 -12.617 202 HZ3 LYS 28 3HZ LYS 28 4.300 28.618 -12.734 203 H LYS 29 H LYS 29 -0.536 25.901 -11.909 204 HA LYS 29 HA LYS 29 -3.071 24.682 -11.026 205 HB2 LYS 29 2HB LYS 29 -1.210 23.466 -13.063 206 HB3 LYS 29 3HB LYS 29 -2.858 22.987 -12.680 207 HG2 LYS 29 2HG LYS 29 -3.449 24.183 -14.459 208 HG3 LYS 29 3HG LYS 29 -3.155 25.603 -13.453 209 HD2 LYS 29 2HD LYS 29 -0.658 25.166 -14.282 210 HD3 LYS 29 3HD LYS 29 -1.521 24.443 -15.642 211 HE2 LYS 29 2HE LYS 29 -2.180 26.437 -16.421 212 HE3 LYS 29 3HE LYS 29 -2.611 27.020 -14.813 213 HZ1 LYS 29 1HZ LYS 29 -0.611 27.983 -14.528 214 HZ2 LYS 29 2HZ LYS 29 -0.584 27.990 -16.220 215 HZ3 LYS 29 3HZ LYS 29 0.232 26.779 -15.366 216 H PHE 30 H PHE 30 -2.735 22.301 -10.425 217 HA PHE 30 HA PHE 30 -0.880 22.188 -8.287 218 HB2 PHE 30 2HB PHE 30 -3.161 20.791 -9.011 219 HB3 PHE 30 3HB PHE 30 -1.880 19.592 -9.164 220 HD1 PHE 30 HD1 PHE 30 -0.680 18.798 -7.240 221 HD2 PHE 30 HD2 PHE 30 -3.687 21.785 -6.858 222 HE1 PHE 30 HE1 PHE 30 -0.711 18.450 -4.804 223 HE2 PHE 30 HE2 PHE 30 -3.723 21.443 -4.422 224 HZ PHE 30 HZ PHE 30 -2.233 19.775 -3.392 225 H GLY 31 H GLY 31 0.603 20.214 -8.034 226 HA2 GLY 31 2HA GLY 31 1.839 19.286 -10.488 227 HA3 GLY 31 3HA GLY 31 2.828 20.382 -9.533 228 H GLU 32 H GLU 32 4.055 18.162 -9.813 229 HA GLU 32 HA GLU 32 3.285 16.116 -7.946 230 HB2 GLU 32 2HB GLU 32 5.440 15.074 -8.558 231 HB3 GLU 32 3HB GLU 32 4.474 15.492 -9.965 232 HG2 GLU 32 2HG GLU 32 5.951 17.726 -9.733 233 HG3 GLU 32 3HG GLU 32 7.073 16.538 -9.070 234 H GLY 33 H GLY 33 5.712 18.691 -8.057 235 HA2 GLY 33 2HA GLY 33 7.070 18.029 -5.687 236 HA3 GLY 33 3HA GLY 33 7.010 19.628 -6.413 237 H ASN 34 H ASN 34 4.435 20.372 -6.205 238 HA ASN 34 HA ASN 34 4.205 21.198 -3.544 239 HB2 ASN 34 2HB ASN 34 3.044 21.974 -5.850 240 HB3 ASN 34 3HB ASN 34 1.713 21.062 -5.146 241 HD21 ASN 34 1HD2 ASN 34 1.949 23.916 -5.644 242 HD22 ASN 34 2HD2 ASN 34 1.728 24.692 -4.116 243 H PHE 35 H PHE 35 2.729 18.499 -5.265 244 HA PHE 35 HA PHE 35 0.873 17.720 -3.325 245 HB2 PHE 35 2HB PHE 35 0.706 16.745 -5.488 246 HB3 PHE 35 3HB PHE 35 2.363 16.152 -5.427 247 HD1 PHE 35 HD1 PHE 35 2.167 13.852 -5.651 248 HD2 PHE 35 HD2 PHE 35 -0.315 15.899 -2.865 249 HE1 PHE 35 HE1 PHE 35 1.362 11.694 -4.788 250 HE2 PHE 35 HE2 PHE 35 -1.124 13.744 -1.997 251 HZ PHE 35 HZ PHE 35 -0.285 11.637 -2.958 252 H ARG 36 H ARG 36 4.249 16.727 -3.792 253 HA ARG 36 HA ARG 36 4.363 14.867 -1.697 254 HB2 ARG 36 2HB ARG 36 6.674 16.576 -2.608 255 HB3 ARG 36 3HB ARG 36 6.733 14.957 -1.923 256 HG2 ARG 36 2HG ARG 36 5.119 14.772 -4.209 257 HG3 ARG 36 3HG ARG 36 6.508 15.763 -4.659 258 HD2 ARG 36 2HD ARG 36 6.957 13.258 -3.106 259 HD3 ARG 36 3HD ARG 36 6.599 13.142 -4.829 260 HE ARG 36 HE ARG 36 9.030 14.096 -3.621 261 HH11 ARG 36 1HH1 ARG 36 7.016 14.161 -6.460 262 HH12 ARG 36 2HH1 ARG 36 8.314 14.576 -7.530 263 HH21 ARG 36 1HH2 ARG 36 10.747 14.643 -5.020 264 HH22 ARG 36 2HH2 ARG 36 10.435 14.849 -6.710 265 H TRP 37 H TRP 37 5.385 18.281 -1.757 266 HA TRP 37 HA TRP 37 6.197 18.511 0.879 267 HB2 TRP 37 2HB TRP 37 6.661 20.314 -0.596 268 HB3 TRP 37 3HB TRP 37 4.959 20.519 -0.999 269 HD1 TRP 37 HD1 TRP 37 7.582 21.611 1.474 270 HE1 TRP 37 HE1 TRP 37 6.560 23.311 3.115 271 HE3 TRP 37 HE3 TRP 37 2.653 21.086 0.221 272 HZ2 TRP 37 HZ2 TRP 37 4.002 24.296 3.790 273 HZ3 TRP 37 HZ3 TRP 37 0.983 22.443 1.414 274 HH2 TRP 37 HH2 TRP 37 1.645 24.014 3.161 275 H ALA 38 H ALA 38 2.970 18.497 -0.465 276 HA ALA 38 HA ALA 38 1.708 19.369 1.975 277 HB1 ALA 38 1HB ALA 38 0.560 19.970 0.013 278 HB2 ALA 38 2HB ALA 38 0.656 18.335 -0.642 279 HB3 ALA 38 3HB ALA 38 -0.397 18.674 0.732 280 H ILE 39 H ILE 39 1.415 16.344 0.099 281 HA ILE 39 HA ILE 39 0.144 14.819 2.006 282 HB ILE 39 HB ILE 39 0.551 14.104 -0.335 283 HG12 ILE 39 2HG1 ILE 39 1.633 11.749 0.877 284 HG13 ILE 39 3HG1 ILE 39 0.544 12.519 2.025 285 HG21 ILE 39 1HG2 ILE 39 3.007 14.764 -0.237 286 HG22 ILE 39 2HG2 ILE 39 3.275 13.216 0.562 287 HG23 ILE 39 3HG2 ILE 39 2.616 13.261 -1.073 288 HD11 ILE 39 1HD1 ILE 39 -1.008 12.638 -0.121 289 HD12 ILE 39 2HD1 ILE 39 -0.030 11.242 -0.577 290 HD13 ILE 39 3HD1 ILE 39 -0.948 11.221 0.928 291 H ARG 40 H ARG 40 3.557 15.589 1.728 292 HA ARG 40 HA ARG 40 4.427 13.720 3.706 293 HB2 ARG 40 2HB ARG 40 5.841 14.774 1.865 294 HB3 ARG 40 3HB ARG 40 5.882 16.221 2.862 295 HG2 ARG 40 2HG ARG 40 7.603 15.392 3.972 296 HG3 ARG 40 3HG ARG 40 6.601 14.044 4.512 297 HD2 ARG 40 2HD ARG 40 7.772 13.975 1.771 298 HD3 ARG 40 3HD ARG 40 8.810 13.627 3.154 299 HE ARG 40 HE ARG 40 6.584 12.061 3.505 300 HH11 ARG 40 1HH1 ARG 40 9.009 12.451 1.038 301 HH12 ARG 40 2HH1 ARG 40 8.922 10.804 0.509 302 HH21 ARG 40 1HH2 ARG 40 6.461 9.890 2.817 303 HH22 ARG 40 2HH2 ARG 40 7.472 9.348 1.520 304 H MET 41 H MET 41 4.095 17.273 3.731 305 HA MET 41 HA MET 41 4.682 17.669 6.421 306 HB2 MET 41 2HB MET 41 4.488 19.458 4.694 307 HB3 MET 41 3HB MET 41 2.740 19.279 4.755 308 HG2 MET 41 2HG MET 41 2.602 20.615 6.511 309 HG3 MET 41 3HG MET 41 3.785 19.655 7.398 310 HE1 MET 41 1HE MET 41 5.480 20.340 8.261 311 HE2 MET 41 2HE MET 41 6.858 20.977 7.364 312 HE3 MET 41 3HE MET 41 5.878 22.055 8.359 313 H ALA 42 H ALA 42 1.646 16.820 4.853 314 HA ALA 42 HA ALA 42 -0.004 17.152 7.137 315 HB1 ALA 42 1HB ALA 42 -1.712 16.092 5.883 316 HB2 ALA 42 2HB ALA 42 -0.769 17.047 4.739 317 HB3 ALA 42 3HB ALA 42 -0.542 15.300 4.827 318 H ASN 43 H ASN 43 1.678 14.361 5.746 319 HA ASN 43 HA ASN 43 0.656 12.385 7.432 320 HB2 ASN 43 2HB ASN 43 3.290 12.635 5.983 321 HB3 ASN 43 3HB ASN 43 2.871 11.207 6.926 322 HD21 ASN 43 1HD2 ASN 43 3.411 11.041 4.244 323 HD22 ASN 43 2HD2 ASN 43 1.964 10.640 3.388 324 H VAL 44 H VAL 44 3.620 14.328 7.776 325 HA VAL 44 HA VAL 44 4.460 13.250 10.222 326 HB VAL 44 HB VAL 44 4.912 16.068 9.229 327 HG11 VAL 44 1HG1 VAL 44 5.923 14.510 11.511 328 HG12 VAL 44 2HG1 VAL 44 7.147 15.377 10.583 329 HG13 VAL 44 3HG1 VAL 44 5.793 16.255 11.294 330 HG21 VAL 44 1HG2 VAL 44 5.757 13.581 8.141 331 HG22 VAL 44 2HG2 VAL 44 6.172 15.211 7.614 332 HG23 VAL 44 3HG2 VAL 44 7.164 14.396 8.823 333 H SER 45 H SER 45 2.416 16.064 9.519 334 HA SER 45 HA SER 45 2.097 16.973 12.143 335 HB2 SER 45 2HB SER 45 1.312 17.932 9.776 336 HB3 SER 45 3HB SER 45 -0.212 17.201 10.275 337 HG SER 45 HG SER 45 -0.461 18.943 11.412 338 H THR 46 H THR 46 0.770 14.239 10.532 339 HA THR 46 HA THR 46 -1.276 13.869 12.597 340 HB THR 46 HB THR 46 -1.710 11.758 11.038 341 HG1 THR 46 HG1 THR 46 -0.135 11.992 9.531 342 HG21 THR 46 1HG2 THR 46 -2.771 13.972 9.574 343 HG22 THR 46 2HG2 THR 46 -2.799 14.354 11.296 344 HG23 THR 46 3HG2 THR 46 -3.594 12.896 10.702 345 H GLY 47 H GLY 47 1.844 12.786 11.674 346 HA2 GLY 47 2HA GLY 47 3.298 11.391 12.802 347 HA3 GLY 47 3HA GLY 47 2.043 11.125 14.002 348 H ARG 48 H ARG 48 1.614 10.548 10.568 349 HA ARG 48 HA ARG 48 1.098 7.733 11.163 350 HB2 ARG 48 2HB ARG 48 -0.394 9.409 9.744 351 HB3 ARG 48 3HB ARG 48 0.676 8.891 8.448 352 HG2 ARG 48 2HG ARG 48 -0.049 6.681 8.567 353 HG3 ARG 48 3HG ARG 48 -0.736 6.898 10.179 354 HD2 ARG 48 2HD ARG 48 -2.038 8.754 8.530 355 HD3 ARG 48 3HD ARG 48 -1.966 7.256 7.605 356 HE ARG 48 HE ARG 48 -3.589 7.777 9.883 357 HH11 ARG 48 1HH1 ARG 48 -1.822 5.273 8.231 358 HH12 ARG 48 2HH1 ARG 48 -2.812 3.990 8.844 359 HH21 ARG 48 1HH2 ARG 48 -4.901 6.096 10.696 360 HH22 ARG 48 2HH2 ARG 48 -4.564 4.460 10.244 361 H GLU 49 H GLU 49 3.767 8.347 11.302 362 HA GLU 49 HA GLU 49 5.803 7.633 10.580 363 HB2 GLU 49 2HB GLU 49 3.893 5.763 9.395 364 HB3 GLU 49 3HB GLU 49 5.384 5.898 8.474 365 HG2 GLU 49 2HG GLU 49 6.142 4.337 9.873 366 HG3 GLU 49 3HG GLU 49 6.348 5.678 10.998 367 HA PRO 50 HA PRO 50 6.988 10.094 7.148 368 HB2 PRO 50 2HB PRO 50 9.208 8.811 6.254 369 HB3 PRO 50 3HB PRO 50 9.171 9.729 7.765 370 HG2 PRO 50 2HG PRO 50 8.937 6.775 7.335 371 HG3 PRO 50 3HG PRO 50 9.862 7.657 8.564 372 HD2 PRO 50 2HD PRO 50 7.464 6.514 9.088 373 HD3 PRO 50 3HD PRO 50 8.010 7.999 9.894 374 H GLY 51 H GLY 51 7.270 6.621 6.352 375 HA2 GLY 51 2HA GLY 51 6.732 7.124 3.560 376 HA3 GLY 51 3HA GLY 51 6.973 5.555 4.312 377 H ASP 52 H ASP 52 4.625 8.163 3.879 378 HA ASP 52 HA ASP 52 2.484 6.165 4.211 379 HB2 ASP 52 2HB ASP 52 2.873 8.643 5.566 380 HB3 ASP 52 3HB ASP 52 1.447 8.799 4.545 381 H ILE 53 H ILE 53 2.330 5.633 2.044 382 HA ILE 53 HA ILE 53 1.448 7.809 0.261 383 HB ILE 53 HB ILE 53 2.816 5.238 -0.542 384 HG12 ILE 53 2HG1 ILE 53 4.369 6.759 0.572 385 HG13 ILE 53 3HG1 ILE 53 4.714 6.696 -1.153 386 HG21 ILE 53 1HG2 ILE 53 2.843 7.247 -2.560 387 HG22 ILE 53 2HG2 ILE 53 2.110 5.645 -2.605 388 HG23 ILE 53 3HG2 ILE 53 1.183 7.020 -2.009 389 HD11 ILE 53 1HD1 ILE 53 3.942 8.939 0.516 390 HD12 ILE 53 2HD1 ILE 53 4.717 8.913 -1.068 391 HD13 ILE 53 3HD1 ILE 53 2.962 8.801 -0.945 392 HA PRO 54 HA PRO 54 -2.101 4.875 0.845 393 HB2 PRO 54 2HB PRO 54 -3.966 6.826 1.131 394 HB3 PRO 54 3HB PRO 54 -3.016 6.199 2.484 395 HG2 PRO 54 2HG PRO 54 -2.610 8.693 0.877 396 HG3 PRO 54 3HG PRO 54 -2.491 8.460 2.632 397 HD2 PRO 54 2HD PRO 54 -0.314 8.559 1.023 398 HD3 PRO 54 3HD PRO 54 -0.370 7.567 2.495 399 H GLU 55 H GLU 55 -4.141 4.785 -0.442 400 HA GLU 55 HA GLU 55 -4.318 6.400 -2.816 401 HB2 GLU 55 2HB GLU 55 -4.031 4.575 -4.415 402 HB3 GLU 55 3HB GLU 55 -2.562 4.823 -3.481 403 HG2 GLU 55 2HG GLU 55 -3.747 2.944 -1.976 404 HG3 GLU 55 3HG GLU 55 -4.395 2.520 -3.560 405 H THR 56 H THR 56 -6.107 6.059 -0.763 406 HA THR 56 HA THR 56 -8.342 4.827 -2.180 407 HB THR 56 HB THR 56 -9.127 3.547 -0.334 408 HG1 THR 56 HG1 THR 56 -8.260 3.688 1.694 409 HG21 THR 56 1HG2 THR 56 -7.333 2.496 -1.671 410 HG22 THR 56 2HG2 THR 56 -7.355 1.921 -0.004 411 HG23 THR 56 3HG2 THR 56 -6.146 3.098 -0.514 412 H LEU 57 H LEU 57 -10.373 5.672 -1.627 413 HA LEU 57 HA LEU 57 -10.442 8.376 -0.933 414 HB2 LEU 57 2HB LEU 57 -12.200 6.618 -2.019 415 HB3 LEU 57 3HB LEU 57 -12.899 6.845 -0.417 416 HG LEU 57 HG LEU 57 -13.036 9.258 -0.821 417 HD11 LEU 57 1HD1 LEU 57 -11.163 8.736 -2.824 418 HD12 LEU 57 2HD1 LEU 57 -11.929 10.279 -2.448 419 HD13 LEU 57 3HD1 LEU 57 -12.634 9.220 -3.669 420 HD21 LEU 57 1HD2 LEU 57 -14.730 9.150 -2.684 421 HD22 LEU 57 2HD2 LEU 57 -14.993 8.029 -1.348 422 HD23 LEU 57 3HD2 LEU 57 -14.303 7.448 -2.865 423 H ASP 58 H ASP 58 -10.746 5.495 1.022 424 HA ASP 58 HA ASP 58 -11.756 6.785 3.351 425 HB2 ASP 58 2HB ASP 58 -11.739 4.253 2.710 426 HB3 ASP 58 3HB ASP 58 -10.144 4.257 3.456 427 H GLN 59 H GLN 59 -8.512 5.825 2.292 428 HA GLN 59 HA GLN 59 -7.128 6.559 4.612 429 HB2 GLN 59 2HB GLN 59 -6.441 5.976 1.810 430 HB3 GLN 59 3HB GLN 59 -5.300 7.024 2.642 431 HG2 GLN 59 2HG GLN 59 -4.383 5.265 3.604 432 HG3 GLN 59 3HG GLN 59 -5.917 4.889 4.387 433 HE21 GLN 59 1HE2 GLN 59 -4.038 4.401 1.450 434 HE22 GLN 59 2HE2 GLN 59 -4.749 2.884 1.028 435 H LEU 60 H LEU 60 -7.762 8.414 1.645 436 HA LEU 60 HA LEU 60 -6.446 10.764 2.461 437 HB2 LEU 60 2HB LEU 60 -8.490 10.088 0.404 438 HB3 LEU 60 3HB LEU 60 -8.189 11.786 0.769 439 HG LEU 60 HG LEU 60 -6.945 10.915 -1.206 440 HD11 LEU 60 1HD1 LEU 60 -5.855 12.342 1.088 441 HD12 LEU 60 2HD1 LEU 60 -5.778 12.727 -0.632 442 HD13 LEU 60 3HD1 LEU 60 -4.617 11.602 0.072 443 HD21 LEU 60 1HD2 LEU 60 -4.975 9.500 -0.781 444 HD22 LEU 60 2HD2 LEU 60 -6.490 8.667 -0.432 445 HD23 LEU 60 3HD2 LEU 60 -5.503 9.293 0.890 446 H ARG 61 H ARG 61 -9.922 9.969 2.471 447 HA ARG 61 HA ARG 61 -10.888 12.275 3.634 448 HB2 ARG 61 2HB ARG 61 -12.424 10.654 2.783 449 HB3 ARG 61 3HB ARG 61 -11.832 9.423 3.889 450 HG2 ARG 61 2HG ARG 61 -12.872 11.831 5.194 451 HG3 ARG 61 3HG ARG 61 -14.064 10.910 4.275 452 HD2 ARG 61 2HD ARG 61 -13.881 9.066 5.623 453 HD3 ARG 61 3HD ARG 61 -12.221 9.437 6.087 454 HE ARG 61 HE ARG 61 -14.037 11.375 7.100 455 HH11 ARG 61 1HH1 ARG 61 -12.854 8.142 7.614 456 HH12 ARG 61 2HH1 ARG 61 -13.189 8.149 9.315 457 HH21 ARG 61 1HH2 ARG 61 -14.481 11.398 9.338 458 HH22 ARG 61 2HH2 ARG 61 -14.116 10.001 10.293 459 H LEU 62 H LEU 62 -9.214 9.597 5.117 460 HA LEU 62 HA LEU 62 -9.867 10.256 7.812 461 HB2 LEU 62 2HB LEU 62 -9.115 8.016 7.040 462 HB3 LEU 62 3HB LEU 62 -7.507 8.691 6.779 463 HG LEU 62 HG LEU 62 -7.238 9.074 9.147 464 HD11 LEU 62 1HD1 LEU 62 -9.017 8.158 10.701 465 HD12 LEU 62 2HD1 LEU 62 -10.097 8.163 9.306 466 HD13 LEU 62 3HD1 LEU 62 -9.393 9.675 9.883 467 HD21 LEU 62 1HD2 LEU 62 -8.007 6.480 9.737 468 HD22 LEU 62 2HD2 LEU 62 -6.451 6.994 9.085 469 HD23 LEU 62 3HD2 LEU 62 -7.732 6.463 7.995 470 H VAL 63 H VAL 63 -6.788 10.545 6.028 471 HA VAL 63 HA VAL 63 -5.439 12.072 7.925 472 HB VAL 63 HB VAL 63 -4.247 11.044 6.091 473 HG11 VAL 63 1HG1 VAL 63 -5.706 12.999 4.315 474 HG12 VAL 63 2HG1 VAL 63 -4.401 11.926 3.802 475 HG13 VAL 63 3HG1 VAL 63 -5.934 11.250 4.356 476 HG21 VAL 63 1HG2 VAL 63 -2.790 12.880 5.455 477 HG22 VAL 63 2HG2 VAL 63 -4.029 14.048 5.917 478 HG23 VAL 63 3HG2 VAL 63 -3.268 13.039 7.146 479 H ILE 64 H ILE 64 -7.692 13.032 5.418 480 HA ILE 64 HA ILE 64 -7.174 15.830 5.599 481 HB ILE 64 HB ILE 64 -9.599 14.379 4.533 482 HG12 ILE 64 2HG1 ILE 64 -7.533 15.715 2.833 483 HG13 ILE 64 3HG1 ILE 64 -7.178 14.128 3.506 484 HG21 ILE 64 1HG2 ILE 64 -10.572 16.366 4.373 485 HG22 ILE 64 2HG2 ILE 64 -9.140 17.159 5.029 486 HG23 ILE 64 3HG2 ILE 64 -9.277 16.881 3.292 487 HD11 ILE 64 1HD1 ILE 64 -9.311 14.906 1.560 488 HD12 ILE 64 2HD1 ILE 64 -8.050 13.682 1.400 489 HD13 ILE 64 3HD1 ILE 64 -9.411 13.412 2.490 490 H CYS 65 H CYS 65 -9.428 13.623 7.154 491 HA CYS 65 HA CYS 65 -11.013 15.630 8.396 492 HB2 CYS 65 2HB CYS 65 -11.857 13.359 8.063 493 HB3 CYS 65 3HB CYS 65 -10.612 12.723 9.132 494 HG CYS 65 HG CYS 65 -11.640 13.663 11.448 495 H ASP 66 H ASP 66 -8.463 13.486 9.661 496 HA ASP 66 HA ASP 66 -8.370 14.587 12.237 497 HB2 ASP 66 2HB ASP 66 -6.000 13.392 10.802 498 HB3 ASP 66 3HB ASP 66 -6.333 13.391 12.533 499 H LEU 67 H LEU 67 -6.290 15.237 9.418 500 HA LEU 67 HA LEU 67 -4.673 17.182 10.556 501 HB2 LEU 67 2HB LEU 67 -4.235 16.181 8.382 502 HB3 LEU 67 3HB LEU 67 -5.657 16.979 7.713 503 HG LEU 67 HG LEU 67 -4.525 19.174 8.201 504 HD11 LEU 67 1HD1 LEU 67 -2.487 17.307 9.204 505 HD12 LEU 67 2HD1 LEU 67 -2.813 18.982 9.645 506 HD13 LEU 67 3HD1 LEU 67 -1.883 18.618 8.192 507 HD21 LEU 67 1HD2 LEU 67 -4.473 18.666 5.967 508 HD22 LEU 67 2HD2 LEU 67 -3.582 17.165 6.214 509 HD23 LEU 67 3HD2 LEU 67 -2.746 18.714 6.325 510 H GLN 68 H GLN 68 -7.840 17.508 9.021 511 HA GLN 68 HA GLN 68 -7.993 20.296 8.972 512 HB2 GLN 68 2HB GLN 68 -9.583 18.830 7.806 513 HB3 GLN 68 3HB GLN 68 -10.233 18.300 9.352 514 HG2 GLN 68 2HG GLN 68 -10.243 21.197 9.010 515 HG3 GLN 68 3HG GLN 68 -11.217 20.333 7.821 516 HE21 GLN 68 1HE2 GLN 68 -13.081 21.274 8.750 517 HE22 GLN 68 2HE2 GLN 68 -13.750 20.659 10.219 518 H GLU 69 H GLU 69 -9.017 18.000 11.484 519 HA GLU 69 HA GLU 69 -10.119 19.825 13.274 520 HB2 GLU 69 2HB GLU 69 -10.366 17.410 13.534 521 HB3 GLU 69 3HB GLU 69 -8.646 17.252 13.863 522 HG2 GLU 69 2HG GLU 69 -10.093 19.114 15.613 523 HG3 GLU 69 3HG GLU 69 -10.551 17.418 15.761 524 H ARG 70 H ARG 70 -6.776 18.646 13.036 525 HA ARG 70 HA ARG 70 -5.798 20.176 15.210 526 HB2 ARG 70 2HB ARG 70 -4.252 19.099 12.846 527 HB3 ARG 70 3HB ARG 70 -3.584 19.584 14.399 528 HG2 ARG 70 2HG ARG 70 -5.227 17.767 15.326 529 HG3 ARG 70 3HG ARG 70 -5.134 17.149 13.676 530 HD2 ARG 70 2HD ARG 70 -2.753 16.923 13.829 531 HD3 ARG 70 3HD ARG 70 -2.728 17.747 15.388 532 HE ARG 70 HE ARG 70 -3.273 15.768 16.391 533 HH11 ARG 70 1HH1 ARG 70 -4.017 15.552 12.997 534 HH12 ARG 70 2HH1 ARG 70 -4.408 13.866 13.056 535 HH21 ARG 70 1HH2 ARG 70 -3.785 13.547 16.483 536 HH22 ARG 70 2HH2 ARG 70 -4.277 12.726 15.040 537 H ARG 71 H ARG 71 -6.195 20.814 11.791 538 HA ARG 71 HA ARG 71 -4.553 23.067 11.549 539 HB2 ARG 71 2HB ARG 71 -5.489 21.951 9.603 540 HB3 ARG 71 3HB ARG 71 -7.118 22.381 10.105 541 HG2 ARG 71 2HG ARG 71 -5.534 24.751 9.925 542 HG3 ARG 71 3HG ARG 71 -5.381 23.822 8.433 543 HD2 ARG 71 2HD ARG 71 -7.512 24.206 7.833 544 HD3 ARG 71 3HD ARG 71 -8.113 23.998 9.478 545 HE ARG 71 HE ARG 71 -7.958 26.269 9.794 546 HH11 ARG 71 1HH1 ARG 71 -6.286 25.378 6.874 547 HH12 ARG 71 2HH1 ARG 71 -6.062 27.014 6.349 548 HH21 ARG 71 1HH2 ARG 71 -7.669 28.426 9.113 549 HH22 ARG 71 2HH2 ARG 71 -6.848 28.747 7.623 550 H GLU 72 H GLU 72 -7.974 22.797 12.452 551 HA GLU 72 HA GLU 72 -8.401 25.590 12.718 552 HB2 GLU 72 2HB GLU 72 -10.125 23.662 12.481 553 HB3 GLU 72 3HB GLU 72 -9.973 23.524 14.227 554 HG2 GLU 72 2HG GLU 72 -11.258 25.298 14.580 555 HG3 GLU 72 3HG GLU 72 -10.394 26.263 13.384 556 H LYS 73 H LYS 73 -7.930 23.028 15.152 557 HA LYS 73 HA LYS 73 -7.911 24.678 17.403 558 HB2 LYS 73 2HB LYS 73 -7.133 21.931 16.764 559 HB3 LYS 73 3HB LYS 73 -6.169 22.638 18.054 560 HG2 LYS 73 2HG LYS 73 -9.140 22.871 18.150 561 HG3 LYS 73 3HG LYS 73 -8.364 21.350 18.602 562 HD2 LYS 73 2HD LYS 73 -7.404 22.239 20.473 563 HD3 LYS 73 3HD LYS 73 -7.275 23.854 19.770 564 HE2 LYS 73 2HE LYS 73 -9.098 24.451 20.886 565 HE3 LYS 73 3HE LYS 73 -10.024 23.270 19.962 566 HZ1 LYS 73 1HZ LYS 73 -9.651 23.233 22.648 567 HZ2 LYS 73 2HZ LYS 73 -8.523 22.095 22.107 568 HZ3 LYS 73 3HZ LYS 73 -10.158 21.920 21.711 569 H PHE 74 H PHE 74 -5.487 24.109 14.998 570 HA PHE 74 HA PHE 74 -3.363 25.262 16.611 571 HB2 PHE 74 2HB PHE 74 -2.904 23.371 15.064 572 HB3 PHE 74 3HB PHE 74 -3.324 24.412 13.708 573 HD1 PHE 74 HD1 PHE 74 -0.863 23.760 16.347 574 HD2 PHE 74 HD2 PHE 74 -1.817 26.093 12.919 575 HE1 PHE 74 HE1 PHE 74 1.465 24.548 16.241 576 HE2 PHE 74 HE2 PHE 74 0.509 26.885 12.806 577 HZ PHE 74 HZ PHE 74 2.155 26.112 14.468 578 H GLY 75 H GLY 75 -5.638 26.218 14.179 579 HA2 GLY 75 2HA GLY 75 -6.193 28.560 13.977 580 HA3 GLY 75 3HA GLY 75 -4.501 28.936 14.266 581 H SER 76 H SER 76 -5.230 30.260 12.252 582 HA SER 76 HA SER 76 -5.316 28.838 9.765 583 HB2 SER 76 2HB SER 76 -6.434 31.016 10.041 584 HB3 SER 76 3HB SER 76 -4.869 31.785 10.302 585 HG SER 76 HG SER 76 -5.058 32.058 8.200 586 H SER 77 H SER 77 -3.718 28.507 8.286 587 HA SER 77 HA SER 77 -1.153 29.736 8.432 588 HB2 SER 77 2HB SER 77 -0.299 28.377 10.030 589 HB3 SER 77 3HB SER 77 -1.579 27.179 9.831 590 HG SER 77 HG SER 77 0.909 27.072 8.932 591 H LYS 78 H LYS 78 -0.453 29.835 6.411 592 HA LYS 78 HA LYS 78 -1.716 28.634 4.245 593 HB2 LYS 78 2HB LYS 78 0.217 29.365 2.916 594 HB3 LYS 78 3HB LYS 78 -0.322 30.625 4.020 595 HG2 LYS 78 2HG LYS 78 1.669 29.038 5.311 596 HG3 LYS 78 3HG LYS 78 2.262 29.552 3.730 597 HD2 LYS 78 2HD LYS 78 1.743 31.870 4.272 598 HD3 LYS 78 3HD LYS 78 1.094 31.372 5.836 599 HE2 LYS 78 2HE LYS 78 3.234 32.057 6.386 600 HE3 LYS 78 3HE LYS 78 3.436 30.317 6.189 601 HZ1 LYS 78 1HZ LYS 78 5.187 31.614 5.089 602 HZ2 LYS 78 2HZ LYS 78 4.027 32.333 4.091 603 HZ3 LYS 78 3HZ LYS 78 4.311 30.668 3.993 604 H GLU 79 H GLU 79 0.760 27.417 6.336 605 HA GLU 79 HA GLU 79 1.765 25.392 4.617 606 HB2 GLU 79 2HB GLU 79 1.860 25.861 7.582 607 HB3 GLU 79 3HB GLU 79 2.468 24.361 6.894 608 HG2 GLU 79 2HG GLU 79 4.000 25.665 5.473 609 HG3 GLU 79 3HG GLU 79 3.427 27.140 6.252 610 H ILE 80 H ILE 80 -0.345 25.111 7.483 611 HA ILE 80 HA ILE 80 -1.087 22.439 6.962 612 HB ILE 80 HB ILE 80 -2.659 24.461 8.558 613 HG12 ILE 80 2HG1 ILE 80 -0.402 22.647 9.439 614 HG13 ILE 80 3HG1 ILE 80 -0.320 24.399 9.302 615 HG21 ILE 80 1HG2 ILE 80 -3.491 22.520 9.765 616 HG22 ILE 80 2HG2 ILE 80 -3.849 22.384 8.045 617 HG23 ILE 80 3HG2 ILE 80 -2.524 21.454 8.747 618 HD11 ILE 80 1HD1 ILE 80 -0.626 24.020 11.570 619 HD12 ILE 80 2HD1 ILE 80 -2.244 24.419 10.993 620 HD13 ILE 80 3HD1 ILE 80 -1.804 22.738 11.295 621 H ASP 81 H ASP 81 -2.565 25.532 6.133 622 HA ASP 81 HA ASP 81 -5.025 24.620 5.194 623 HB2 ASP 81 2HB ASP 81 -4.262 27.028 5.533 624 HB3 ASP 81 3HB ASP 81 -3.491 26.903 3.955 625 H MET 82 H MET 82 -1.968 25.068 3.436 626 HA MET 82 HA MET 82 -2.916 24.265 0.916 627 HB2 MET 82 2HB MET 82 -0.190 24.370 2.170 628 HB3 MET 82 3HB MET 82 -0.407 23.686 0.565 629 HG2 MET 82 2HG MET 82 -1.702 26.270 0.883 630 HG3 MET 82 3HG MET 82 0.038 26.326 1.153 631 HE1 MET 82 1HE MET 82 -1.315 27.975 -0.880 632 HE2 MET 82 2HE MET 82 0.413 27.951 -1.232 633 HE3 MET 82 3HE MET 82 -0.753 27.642 -2.519 634 H ALA 83 H ALA 83 -1.246 22.420 3.458 635 HA ALA 83 HA ALA 83 -1.055 19.969 2.203 636 HB1 ALA 83 1HB ALA 83 -1.431 19.106 4.670 637 HB2 ALA 83 2HB ALA 83 0.034 19.973 4.209 638 HB3 ALA 83 3HB ALA 83 -1.266 20.823 5.042 639 H ILE 84 H ILE 84 -3.817 21.371 3.904 640 HA ILE 84 HA ILE 84 -5.458 19.072 3.826 641 HB ILE 84 HB ILE 84 -6.263 21.980 3.957 642 HG12 ILE 84 2HG1 ILE 84 -6.274 20.101 6.286 643 HG13 ILE 84 3HG1 ILE 84 -4.749 20.820 5.778 644 HG21 ILE 84 1HG2 ILE 84 -7.801 19.452 4.046 645 HG22 ILE 84 2HG2 ILE 84 -8.260 20.715 5.188 646 HG23 ILE 84 3HG2 ILE 84 -8.270 21.046 3.456 647 HD11 ILE 84 1HD1 ILE 84 -7.033 22.656 6.132 648 HD12 ILE 84 2HD1 ILE 84 -6.345 21.935 7.586 649 HD13 ILE 84 3HD1 ILE 84 -5.324 22.879 6.502 650 H VAL 85 H VAL 85 -5.614 22.038 1.844 651 HA VAL 85 HA VAL 85 -7.538 21.221 0.041 652 HB VAL 85 HB VAL 85 -5.141 22.969 -0.533 653 HG11 VAL 85 1HG1 VAL 85 -5.907 22.638 -2.647 654 HG12 VAL 85 2HG1 VAL 85 -7.541 22.238 -2.112 655 HG13 VAL 85 3HG1 VAL 85 -7.016 23.922 -2.164 656 HG21 VAL 85 1HG2 VAL 85 -7.654 23.391 0.922 657 HG22 VAL 85 2HG2 VAL 85 -6.125 24.265 1.019 658 HG23 VAL 85 3HG2 VAL 85 -7.271 24.633 -0.271 659 H THR 86 H THR 86 -4.176 20.335 0.219 660 HA THR 86 HA THR 86 -3.911 19.306 -2.411 661 HB THR 86 HB THR 86 -2.368 18.648 0.104 662 HG1 THR 86 HG1 THR 86 -2.381 20.849 -1.108 663 HG21 THR 86 1HG2 THR 86 -0.763 18.165 -2.120 664 HG22 THR 86 2HG2 THR 86 -2.317 17.438 -2.525 665 HG23 THR 86 3HG2 THR 86 -1.478 16.958 -1.051 666 H LEU 87 H LEU 87 -4.243 17.587 0.701 667 HA LEU 87 HA LEU 87 -4.570 15.032 -0.320 668 HB2 LEU 87 2HB LEU 87 -5.727 16.277 2.167 669 HB3 LEU 87 3HB LEU 87 -5.785 14.551 1.813 670 HG LEU 87 HG LEU 87 -3.135 15.916 1.867 671 HD11 LEU 87 1HD1 LEU 87 -3.943 16.758 3.893 672 HD12 LEU 87 2HD1 LEU 87 -3.079 15.289 4.342 673 HD13 LEU 87 3HD1 LEU 87 -4.840 15.282 4.254 674 HD21 LEU 87 1HD2 LEU 87 -4.228 13.205 1.972 675 HD22 LEU 87 2HD2 LEU 87 -2.955 13.512 3.152 676 HD23 LEU 87 3HD2 LEU 87 -2.648 13.774 1.434 677 H LYS 88 H LYS 88 -6.817 17.670 -0.188 678 HA LYS 88 HA LYS 88 -9.165 16.079 -0.632 679 HB2 LYS 88 2HB LYS 88 -8.791 19.046 -1.071 680 HB3 LYS 88 3HB LYS 88 -10.320 18.191 -0.901 681 HG2 LYS 88 2HG LYS 88 -8.570 17.735 1.360 682 HG3 LYS 88 3HG LYS 88 -8.900 19.450 1.105 683 HD2 LYS 88 2HD LYS 88 -11.376 18.451 0.784 684 HD3 LYS 88 3HD LYS 88 -10.715 17.261 1.909 685 HE2 LYS 88 2HE LYS 88 -10.429 18.812 3.588 686 HE3 LYS 88 3HE LYS 88 -10.322 20.166 2.465 687 HZ1 LYS 88 1HZ LYS 88 -12.681 18.868 3.596 688 HZ2 LYS 88 2HZ LYS 88 -12.804 19.443 2.010 689 HZ3 LYS 88 3HZ LYS 88 -12.402 20.504 3.266 690 H VAL 89 H VAL 89 -7.758 18.635 -2.682 691 HA VAL 89 HA VAL 89 -9.028 17.952 -5.034 692 HB VAL 89 HB VAL 89 -7.758 20.029 -4.764 693 HG11 VAL 89 1HG1 VAL 89 -5.800 18.627 -3.670 694 HG12 VAL 89 2HG1 VAL 89 -5.184 18.652 -5.324 695 HG13 VAL 89 3HG1 VAL 89 -5.498 20.167 -4.475 696 HG21 VAL 89 1HG2 VAL 89 -6.383 18.735 -7.052 697 HG22 VAL 89 2HG2 VAL 89 -8.147 18.707 -7.040 698 HG23 VAL 89 3HG2 VAL 89 -7.289 20.246 -6.982 699 H PHE 90 H PHE 90 -6.101 16.608 -3.630 700 HA PHE 90 HA PHE 90 -5.300 15.112 -5.903 701 HB2 PHE 90 2HB PHE 90 -3.668 15.565 -4.212 702 HB3 PHE 90 3HB PHE 90 -4.668 14.829 -2.964 703 HD1 PHE 90 HD1 PHE 90 -2.704 14.093 -6.014 704 HD2 PHE 90 HD2 PHE 90 -4.506 12.544 -2.483 705 HE1 PHE 90 HE1 PHE 90 -1.567 11.942 -6.381 706 HE2 PHE 90 HE2 PHE 90 -3.370 10.391 -2.844 707 HZ PHE 90 HZ PHE 90 -1.898 10.088 -4.794 708 H ALA 91 H ALA 91 -7.046 14.199 -2.940 709 HA ALA 91 HA ALA 91 -7.429 11.514 -3.437 710 HB1 ALA 91 1HB ALA 91 -9.394 13.401 -2.142 711 HB2 ALA 91 2HB ALA 91 -9.369 11.646 -1.971 712 HB3 ALA 91 3HB ALA 91 -8.038 12.612 -1.335 713 H VAL 92 H VAL 92 -9.418 14.245 -4.529 714 HA VAL 92 HA VAL 92 -11.281 12.579 -5.931 715 HB VAL 92 HB VAL 92 -12.160 14.685 -6.862 716 HG11 VAL 92 1HG1 VAL 92 -13.234 14.271 -4.892 717 HG12 VAL 92 2HG1 VAL 92 -11.744 14.290 -3.946 718 HG13 VAL 92 3HG1 VAL 92 -12.468 15.806 -4.483 719 HG21 VAL 92 1HG2 VAL 92 -11.191 16.828 -6.057 720 HG22 VAL 92 2HG2 VAL 92 -9.825 15.922 -5.407 721 HG23 VAL 92 3HG2 VAL 92 -10.126 15.937 -7.144 722 H ALA 93 H ALA 93 -8.415 14.432 -6.783 723 HA ALA 93 HA ALA 93 -8.713 14.133 -9.605 724 HB1 ALA 93 1HB ALA 93 -6.286 14.835 -9.631 725 HB2 ALA 93 2HB ALA 93 -7.408 15.960 -8.862 726 HB3 ALA 93 3HB ALA 93 -6.384 14.919 -7.871 727 H GLY 94 H GLY 94 -7.946 11.943 -7.202 728 HA2 GLY 94 2HA GLY 94 -6.475 10.240 -9.119 729 HA3 GLY 94 3HA GLY 94 -6.195 10.202 -7.384 730 H LEU 95 H LEU 95 -8.277 9.741 -6.085 731 HA LEU 95 HA LEU 95 -9.170 7.169 -6.782 732 HB2 LEU 95 2HB LEU 95 -10.213 9.168 -4.788 733 HB3 LEU 95 3HB LEU 95 -10.831 7.523 -4.929 734 HG LEU 95 HG LEU 95 -9.347 7.454 -3.124 735 HD11 LEU 95 1HD1 LEU 95 -7.718 6.587 -5.507 736 HD12 LEU 95 2HD1 LEU 95 -9.012 5.646 -4.768 737 HD13 LEU 95 3HD1 LEU 95 -7.552 6.012 -3.849 738 HD21 LEU 95 1HD2 LEU 95 -8.320 9.693 -3.687 739 HD22 LEU 95 2HD2 LEU 95 -7.213 8.821 -4.747 740 HD23 LEU 95 3HD2 LEU 95 -7.223 8.487 -3.015 741 H LEU 96 H LEU 96 -10.787 10.326 -6.945 742 HA LEU 96 HA LEU 96 -13.161 9.202 -8.129 743 HB2 LEU 96 2HB LEU 96 -12.700 11.434 -6.691 744 HB3 LEU 96 3HB LEU 96 -12.666 12.106 -8.320 745 HG LEU 96 HG LEU 96 -14.928 11.252 -8.715 746 HD11 LEU 96 1HD1 LEU 96 -16.076 10.599 -6.402 747 HD12 LEU 96 2HD1 LEU 96 -14.454 9.988 -6.080 748 HD13 LEU 96 3HD1 LEU 96 -15.355 9.401 -7.478 749 HD21 LEU 96 1HD2 LEU 96 -15.456 12.625 -6.212 750 HD22 LEU 96 2HD2 LEU 96 -15.777 13.132 -7.871 751 HD23 LEU 96 3HD2 LEU 96 -14.188 13.409 -7.156 752 H ASN 97 H ASN 97 -10.149 9.795 -9.307 753 HA ASN 97 HA ASN 97 -9.248 9.989 -11.385 754 HB2 ASN 97 2HB ASN 97 -11.944 9.300 -12.534 755 HB3 ASN 97 3HB ASN 97 -10.347 8.894 -13.157 756 HD21 ASN 97 1HD2 ASN 97 -9.049 7.413 -11.817 757 HD22 ASN 97 2HD2 ASN 97 -9.869 6.143 -10.982 758 H MET 98 H MET 98 -9.751 12.385 -10.432 759 HA MET 98 HA MET 98 -9.993 14.565 -11.032 760 HB2 MET 98 2HB MET 98 -9.438 13.213 -13.435 761 HB3 MET 98 3HB MET 98 -10.780 14.289 -13.793 762 HG2 MET 98 2HG MET 98 -9.461 16.157 -12.822 763 HG3 MET 98 3HG MET 98 -8.102 15.048 -12.656 764 HE1 MET 98 1HE MET 98 -9.360 17.767 -14.364 765 HE2 MET 98 2HE MET 98 -7.600 17.778 -14.485 766 HE3 MET 98 3HE MET 98 -8.585 17.772 -15.949 767 H THR 99 H THR 99 -11.709 15.593 -10.269 768 HA THR 99 HA THR 99 -14.204 15.589 -11.691 769 HB THR 99 HB THR 99 -14.339 14.622 -8.840 770 HG1 THR 99 HG1 THR 99 -13.338 12.970 -9.982 771 HG21 THR 99 1HG2 THR 99 -16.255 15.249 -10.984 772 HG22 THR 99 2HG2 THR 99 -16.465 15.268 -9.233 773 HG23 THR 99 3HG2 THR 99 -16.568 13.746 -10.117 774 H VAL 100 H VAL 100 -12.484 17.652 -11.209 775 HA VAL 100 HA VAL 100 -14.175 19.493 -9.808 776 HB VAL 100 HB VAL 100 -12.812 18.437 -7.961 777 HG11 VAL 100 1HG1 VAL 100 -10.498 20.107 -8.753 778 HG12 VAL 100 2HG1 VAL 100 -10.549 18.588 -7.856 779 HG13 VAL 100 3HG1 VAL 100 -10.724 18.583 -9.612 780 HG21 VAL 100 1HG2 VAL 100 -12.959 20.356 -6.787 781 HG22 VAL 100 2HG2 VAL 100 -12.005 21.270 -7.956 782 HG23 VAL 100 3HG2 VAL 100 -13.716 20.966 -8.258 783 H SER 101 H SER 101 -13.462 21.716 -10.033 784 HA SER 101 HA SER 101 -11.888 22.067 -12.472 785 HB2 SER 101 2HB SER 101 -13.544 24.124 -10.995 786 HB3 SER 101 3HB SER 101 -12.896 24.256 -12.630 787 HG SER 101 HG SER 101 -14.428 22.964 -13.363 788 H THR 102 H THR 102 -12.173 23.592 -9.262 789 HA THR 102 HA THR 102 -9.315 24.294 -9.454 790 HB THR 102 HB THR 102 -9.672 26.316 -8.285 791 HG1 THR 102 HG1 THR 102 -12.290 25.319 -7.769 792 HG21 THR 102 1HG2 THR 102 -11.157 27.546 -9.700 793 HG22 THR 102 2HG2 THR 102 -12.073 26.093 -10.099 794 HG23 THR 102 3HG2 THR 102 -10.419 26.282 -10.683 795 H ALA 103 H ALA 103 -8.070 24.152 -7.560 796 HA ALA 103 HA ALA 103 -8.484 21.967 -5.927 797 HB1 ALA 103 1HB ALA 103 -6.916 24.403 -5.105 798 HB2 ALA 103 2HB ALA 103 -6.660 22.731 -4.604 799 HB3 ALA 103 3HB ALA 103 -6.334 23.212 -6.269 800 H ALA 104 H ALA 104 -9.445 25.319 -5.420 801 HA ALA 104 HA ALA 104 -10.227 25.122 -2.733 802 HB1 ALA 104 1HB ALA 104 -11.031 26.945 -4.973 803 HB2 ALA 104 2HB ALA 104 -11.770 27.072 -3.375 804 HB3 ALA 104 3HB ALA 104 -10.030 27.292 -3.562 805 H ALA 105 H ALA 105 -12.123 24.728 -5.718 806 HA ALA 105 HA ALA 105 -14.599 24.230 -4.528 807 HB1 ALA 105 1HB ALA 105 -15.208 23.160 -6.661 808 HB2 ALA 105 2HB ALA 105 -14.389 24.706 -6.893 809 HB3 ALA 105 3HB ALA 105 -13.512 23.196 -7.144 810 H ALA 106 H ALA 106 -11.881 22.098 -5.164 811 HA ALA 106 HA ALA 106 -13.195 19.646 -4.694 812 HB1 ALA 106 1HB ALA 106 -10.928 20.010 -5.771 813 HB2 ALA 106 2HB ALA 106 -10.288 20.162 -4.135 814 HB3 ALA 106 3HB ALA 106 -11.058 18.659 -4.645 815 H GLU 107 H GLU 107 -11.315 21.765 -2.546 816 HA GLU 107 HA GLU 107 -11.515 20.153 -0.248 817 HB2 GLU 107 2HB GLU 107 -9.866 21.877 -0.295 818 HB3 GLU 107 3HB GLU 107 -11.075 23.115 -0.600 819 HG2 GLU 107 2HG GLU 107 -11.661 21.708 1.837 820 HG3 GLU 107 3HG GLU 107 -10.017 22.344 1.859 821 H ASN 108 H ASN 108 -13.403 23.017 -1.214 822 HA ASN 108 HA ASN 108 -15.182 23.003 0.939 823 HB2 ASN 108 2HB ASN 108 -14.812 24.550 -1.334 824 HB3 ASN 108 3HB ASN 108 -16.416 23.860 -1.562 825 HD21 ASN 108 1HD2 ASN 108 -17.491 25.775 -1.267 826 HD22 ASN 108 2HD2 ASN 108 -17.593 26.571 0.262 827 H MET 109 H MET 109 -15.287 21.300 -2.147 828 HA MET 109 HA MET 109 -17.918 20.272 -1.823 829 HB2 MET 109 2HB MET 109 -17.007 20.384 -4.033 830 HB3 MET 109 3HB MET 109 -15.605 19.428 -3.568 831 HG2 MET 109 2HG MET 109 -18.127 18.058 -3.094 832 HG3 MET 109 3HG MET 109 -17.873 18.487 -4.784 833 HE1 MET 109 1HE MET 109 -16.580 15.047 -5.486 834 HE2 MET 109 2HE MET 109 -18.115 15.794 -5.042 835 HE3 MET 109 3HE MET 109 -17.073 16.564 -6.240 836 H TYR 110 H TYR 110 -14.687 18.907 -1.264 837 HA TYR 110 HA TYR 110 -15.390 16.339 -0.527 838 HB2 TYR 110 2HB TYR 110 -13.051 17.532 -0.738 839 HB3 TYR 110 3HB TYR 110 -13.237 17.750 0.998 840 HD1 TYR 110 HD1 TYR 110 -13.038 15.898 2.509 841 HD2 TYR 110 HD2 TYR 110 -12.884 15.266 -1.696 842 HE1 TYR 110 HE1 TYR 110 -12.210 13.612 2.888 843 HE2 TYR 110 HE2 TYR 110 -12.058 12.979 -1.328 844 HH TYR 110 HH TYR 110 -10.732 11.799 0.657 845 H SER 111 H SER 111 -15.364 19.279 1.429 846 HA SER 111 HA SER 111 -16.185 17.858 3.813 847 HB2 SER 111 2HB SER 111 -15.586 19.731 4.938 848 HB3 SER 111 3HB SER 111 -14.804 20.182 3.423 849 HG SER 111 HG SER 111 -16.175 21.752 3.250 850 H GLN 112 H GLN 112 -17.638 19.818 1.302 851 HA GLN 112 HA GLN 112 -20.115 20.295 2.576 852 HB2 GLN 112 2HB GLN 112 -19.087 20.447 -0.213 853 HB3 GLN 112 3HB GLN 112 -20.831 20.414 0.011 854 HG2 GLN 112 2HG GLN 112 -19.307 22.313 1.685 855 HG3 GLN 112 3HG GLN 112 -19.412 22.665 -0.040 856 HE21 GLN 112 1HE2 GLN 112 -20.952 22.866 2.942 857 HE22 GLN 112 2HE2 GLN 112 -22.506 23.383 2.390 858 H MET 113 H MET 113 -18.855 17.610 0.724 859 HA MET 113 HA MET 113 -21.418 16.322 0.442 860 HB2 MET 113 2HB MET 113 -18.747 15.952 -0.582 861 HB3 MET 113 3HB MET 113 -19.383 14.429 0.025 862 HG2 MET 113 2HG MET 113 -21.483 15.506 -1.419 863 HG3 MET 113 3HG MET 113 -20.054 15.896 -2.374 864 HE1 MET 113 1HE MET 113 -18.146 12.913 -1.903 865 HE2 MET 113 2HE MET 113 -18.607 12.808 -3.602 866 HE3 MET 113 3HE MET 113 -18.277 14.380 -2.873 867 H GLY 114 H GLY 114 -19.386 16.761 3.007 868 HA2 GLY 114 2HA GLY 114 -19.615 15.898 5.155 869 HA3 GLY 114 3HA GLY 114 -20.685 14.661 4.515 870 H LEU 115 H LEU 115 -17.673 15.081 2.917 871 HA LEU 115 HA LEU 115 -16.847 12.434 3.734 872 HB2 LEU 115 2HB LEU 115 -15.189 14.250 2.038 873 HB3 LEU 115 3HB LEU 115 -15.330 12.495 1.984 874 HG LEU 115 HG LEU 115 -17.509 14.384 1.104 875 HD11 LEU 115 1HD1 LEU 115 -16.290 12.939 -1.038 876 HD12 LEU 115 2HD1 LEU 115 -15.055 13.852 -0.171 877 HD13 LEU 115 3HD1 LEU 115 -16.466 14.681 -0.828 878 HD21 LEU 115 1HD2 LEU 115 -18.666 12.539 0.377 879 HD22 LEU 115 2HD2 LEU 115 -17.906 11.902 1.835 880 HD23 LEU 115 3HD2 LEU 115 -17.217 11.542 0.251 881 H ASP 116 H ASP 116 -15.443 15.705 3.849 882 HA ASP 116 HA ASP 116 -13.170 14.987 5.356 883 HB2 ASP 116 2HB ASP 116 -13.149 17.056 4.149 884 HB3 ASP 116 3HB ASP 116 -14.587 17.629 4.991 885 H THR 117 H THR 117 -15.781 17.085 6.551 886 HA THR 117 HA THR 117 -15.509 15.767 9.172 887 HB THR 117 HB THR 117 -14.863 18.165 9.140 888 HG1 THR 117 HG1 THR 117 -16.053 18.654 10.993 889 HG21 THR 117 1HG2 THR 117 -16.305 19.880 8.569 890 HG22 THR 117 2HG2 THR 117 -17.745 18.889 8.807 891 HG23 THR 117 3HG2 THR 117 -16.737 18.651 7.381 892 H ARG 118 H ARG 118 -17.511 15.834 10.527 893 HA ARG 118 HA ARG 118 -19.634 15.074 10.854 894 HB2 ARG 118 2HB ARG 118 -20.224 16.926 8.536 895 HB3 ARG 118 3HB ARG 118 -21.401 16.306 9.686 896 HG2 ARG 118 2HG ARG 118 -19.712 17.441 11.406 897 HG3 ARG 118 3HG ARG 118 -19.393 18.450 9.994 898 HD2 ARG 118 2HD ARG 118 -22.167 17.887 11.015 899 HD3 ARG 118 3HD ARG 118 -21.205 19.258 11.565 900 HE ARG 118 HE ARG 118 -22.543 18.979 9.034 901 HH11 ARG 118 1HH1 ARG 118 -19.961 20.559 10.754 902 HH12 ARG 118 2HH1 ARG 118 -19.898 21.915 9.677 903 HH21 ARG 118 1HH2 ARG 118 -22.470 20.759 7.610 904 HH22 ARG 118 2HH2 ARG 118 -21.328 22.028 7.890 905 HA PRO 119 HA PRO 119 -19.262 12.031 7.358 906 HB2 PRO 119 2HB PRO 119 -19.090 9.849 8.964 907 HB3 PRO 119 3HB PRO 119 -17.681 10.804 8.487 908 HG2 PRO 119 2HG PRO 119 -19.250 10.883 11.036 909 HG3 PRO 119 3HG PRO 119 -17.493 10.930 10.802 910 HD2 PRO 119 2HD PRO 119 -18.957 13.155 11.287 911 HD3 PRO 119 3HD PRO 119 -17.495 13.176 10.281
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